USER MOD reduce.3.24.130724 H: found=0, std=0, add=2724, rem=0, adj=90 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 04-MAR-20 5RA4 TITLE PANDDA ANALYSIS GROUP DEPOSITION FORM1 MAP KINASE P38-ALPHA -- TITLE 2 FRAGMENT N11337A IN COMPLEX WITH MAP KINASE P38-ALPHA COMPND MOL_ID: 1; COMPND 2 MOLECULE: MITOGEN-ACTIVATED PROTEIN KINASE 14; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: MAPK 14,CRK1,MITOGEN-ACTIVATED PROTEIN KINASE P38 ALPHA,MAP COMPND 5 KINASE P38 ALPHA; COMPND 6 EC: 2.7.11.24; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 GENE: MAPK14, CRK1, CSBP1, CSBP2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS P38, MAPK14, KINASE, TRANSFERASE, SGC - DIAMOND I04-1 FRAGMENT KEYWDS 2 SCREENING, PANDDA, XCHEMEXPLORER EXPDTA X-RAY DIFFRACTION AUTHOR G.F.DE NICOLA,C.E.NICHOLS REVDAT 1 22-JUL-20 5RA4 0 JRNL AUTH C.NICHOLS,J.NG,A.KESHU,G.KELLY,M.R.CONTE,M.S.MARBER, JRNL AUTH 2 F.FRATERNALI,G.F.DE NICOLA JRNL TITL MINING THE PDB FOR TRACTABLE CASES WHERE X-RAY JRNL TITL 2 CRYSTALLOGRAPHY COMBINED WITH FRAGMENT SCREENS CAN BE USED JRNL TITL 3 TO SYSTEMATICALLY DESIGN PROTEIN-PROTEIN INHIBITORS: TWO JRNL TITL 4 TEST CASES ILLUSTRATED BY IL1 BETA-IL1R AND P38 ALPHA-TAB1 JRNL TITL 5 COMPLEXES. JRNL REF J.MED.CHEM. 2020 JRNL REFN ISSN 0022-2623 JRNL PMID 32543856 JRNL DOI 10.1021/ACS.JMEDCHEM.0C00403 REMARK 2 REMARK 2 RESOLUTION. 1.59 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.8.0238 REMARK 3 AUTHORS : MURSHUDOV,SKUBAK,LEBEDEV,PANNU,STEINER, REMARK 3 : NICHOLLS,WINN,LONG,VAGIN REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.59 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 29.31 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.3 REMARK 3 NUMBER OF REFLECTIONS : 63088 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) : 0.184 REMARK 3 R VALUE (WORKING SET) : 0.183 REMARK 3 FREE R VALUE : 0.199 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 3267 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) : 1.59 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.63 REMARK 3 REFLECTION IN BIN (WORKING SET) : 4511 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 94.32 REMARK 3 BIN R VALUE (WORKING SET) : 0.2910 REMARK 3 BIN FREE R VALUE SET COUNT : 202 REMARK 3 BIN FREE R VALUE : 0.3480 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2746 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 32 REMARK 3 SOLVENT ATOMS : 258 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.62 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.30000 REMARK 3 B22 (A**2) : 0.07000 REMARK 3 B33 (A**2) : -0.37000 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): 0.081 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.077 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.965 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.960 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 3738 ; 0.012 ; 0.014 REMARK 3 BOND LENGTHS OTHERS (A): 3021 ; 0.036 ; 0.017 REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 4618 ; 1.786 ; 1.648 REMARK 3 BOND ANGLES OTHERS (DEGREES): 7001 ; 2.787 ; 1.583 REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 433 ; 6.732 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 172 ;33.654 ;22.907 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 540 ;14.739 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 17 ;16.768 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 442 ; 0.087 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 4057 ; 0.011 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): 718 ; 0.021 ; 0.020 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): 1861 ; 2.804 ; 3.130 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): 1837 ; 2.820 ; 3.109 REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 2121 ; 4.549 ; 4.443 REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL 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 U VALUES : REFINED INDIVIDUALLY REMARK 4 REMARK 4 5RA4 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-MAR-20. REMARK 100 THE DEPOSITION ID IS D_1001402961. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 12-FEB-16 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.9 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I04-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.92819 REMARK 200 MONOCHROMATOR : SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS 0.5.17 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 66417 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.590 REMARK 200 RESOLUTION RANGE LOW (A) : 29.290 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.6 REMARK 200 DATA REDUNDANCY : 6.700 REMARK 200 R MERGE (I) : 0.05700 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 16.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.59 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.63 REMARK 200 COMPLETENESS FOR SHELL (%) : 94.6 REMARK 200 DATA REDUNDANCY IN SHELL : 6.80 REMARK 200 R MERGE FOR SHELL (I) : 0.75100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: REFMAC REMARK 200 STARTING MODEL: PDB ENTRY 6SO1 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 59.49 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.04 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 27.5% PEG3350, 0.1 M BIS-TRIS PROPANE, REMARK 280 PH 6.9, 50 MM AMMONIUM SULFATE, 0.2 M 1:1 MAGNESIUM CHLORIDE: REMARK 280 MAGNESIUM SULFATE, 10% GLYCEROL, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 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 22.91150 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 63.74550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 42.97300 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 63.74550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 22.91150 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 42.97300 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1180 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 17110 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -68.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 MET A 1 REMARK 465 SER A 2 REMARK 465 GLN A 3 REMARK 465 GLU A 4 REMARK 465 LEU A 353 REMARK 465 ASP A 354 REMARK 465 GLN A 355 REMARK 465 GLU A 356 REMARK 465 GLU A 357 REMARK 465 MET A 358 REMARK 465 GLU A 359 REMARK 465 SER A 360 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ARG A 10 CZ NH1 NH2 REMARK 470 LEU A 13 CD1 CD2 REMARK 470 ASN A 14 CG OD1 ND2 REMARK 470 LYS A 15 CG CD CE NZ REMARK 470 TYR A 35 CG CD1 CD2 CE1 CE2 CZ OH REMARK 470 LYS A 45 CE NZ REMARK 470 ARG A 49 CD NE CZ NH1 NH2 REMARK 470 ARG A 57 CG CD NE CZ NH1 NH2 REMARK 470 ARG A 67 NE CZ NH1 NH2 REMARK 470 VAL A 117 CG1 CG2 REMARK 470 LYS A 118 CG CD CE NZ REMARK 470 LYS A 121 CG CD CE NZ REMARK 470 GLU A 160 CG CD OE1 OE2 REMARK 470 ARG A 173 CG CD NE CZ NH1 NH2 REMARK 470 ASP A 177 CG OD1 OD2 REMARK 470 LYS A 248 CD CE NZ 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 NH1 ARG A 149 OH TYR A 200 2.17 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 GLU A 81 CD GLU A 81 OE1 0.067 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 TYR A 323 CB - CG - CD1 ANGL. DEV. = -3.6 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 14 70.26 45.75 REMARK 500 SER A 32 103.08 -169.66 REMARK 500 ILE A 116 -32.66 -131.26 REMARK 500 GLN A 120 170.28 175.68 REMARK 500 ARG A 149 -7.10 80.45 REMARK 500 ARG A 149 -22.70 83.67 REMARK 500 ASP A 150 42.37 -145.04 REMARK 500 ALA A 172 37.11 72.70 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 A 186 0.07 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 407 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASN A 155 OD1 REMARK 620 2 ASP A 168 OD2 93.8 REMARK 620 3 HOH A 647 O 88.5 176.9 REMARK 620 4 HOH A 691 O 92.8 100.0 81.9 REMARK 620 5 HOH A 581 O 84.8 85.6 92.6 174.1 REMARK 620 6 HOH A 661 O 170.8 88.0 89.4 95.7 86.4 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SVG A 401 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 402 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 403 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 404 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 405 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CL A 406 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 407 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue SO4 A 408 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue DMS A 409 DBREF 5RA4 A 1 360 UNP P47811 MK14_MOUSE 1 360 SEQRES 1 A 360 MET SER GLN GLU ARG PRO THR PHE TYR ARG GLN GLU LEU SEQRES 2 A 360 ASN LYS THR ILE TRP GLU VAL PRO GLU ARG TYR GLN ASN SEQRES 3 A 360 LEU SER PRO VAL GLY SER GLY ALA TYR GLY SER VAL CYS SEQRES 4 A 360 ALA ALA PHE ASP THR LYS THR GLY HIS ARG VAL ALA VAL SEQRES 5 A 360 LYS LYS LEU SER ARG PRO PHE GLN SER ILE ILE HIS ALA SEQRES 6 A 360 LYS ARG THR TYR ARG GLU LEU ARG LEU LEU LYS HIS MET SEQRES 7 A 360 LYS HIS GLU ASN VAL ILE GLY LEU LEU ASP VAL PHE THR SEQRES 8 A 360 PRO ALA ARG SER LEU GLU GLU PHE ASN ASP VAL TYR LEU SEQRES 9 A 360 VAL THR HIS LEU MET GLY ALA ASP LEU ASN ASN ILE VAL SEQRES 10 A 360 LYS CYS GLN LYS LEU THR ASP ASP HIS VAL GLN PHE LEU SEQRES 11 A 360 ILE TYR GLN ILE LEU ARG GLY LEU LYS TYR ILE HIS SER SEQRES 12 A 360 ALA ASP ILE ILE HIS ARG ASP LEU LYS PRO SER ASN LEU SEQRES 13 A 360 ALA VAL ASN GLU ASP CYS GLU LEU LYS ILE LEU ASP PHE SEQRES 14 A 360 GLY LEU ALA ARG HIS THR ASP ASP GLU MET THR GLY TYR SEQRES 15 A 360 VAL ALA THR ARG TRP TYR ARG ALA PRO GLU ILE MET LEU SEQRES 16 A 360 ASN TRP MET HIS TYR ASN GLN THR VAL ASP ILE TRP SER SEQRES 17 A 360 VAL GLY CYS ILE MET ALA GLU LEU LEU THR GLY ARG THR SEQRES 18 A 360 LEU PHE PRO GLY THR ASP HIS ILE ASP GLN LEU LYS LEU SEQRES 19 A 360 ILE LEU ARG LEU VAL GLY THR PRO GLY ALA GLU LEU LEU SEQRES 20 A 360 LYS LYS ILE SER SER GLU SER ALA ARG ASN TYR ILE GLN SEQRES 21 A 360 SER LEU ALA GLN MET PRO LYS MET ASN PHE ALA ASN VAL SEQRES 22 A 360 PHE ILE GLY ALA ASN PRO LEU ALA VAL ASP LEU LEU GLU SEQRES 23 A 360 LYS MET LEU VAL LEU ASP SER ASP LYS ARG ILE THR ALA SEQRES 24 A 360 ALA GLN ALA LEU ALA HIS ALA TYR PHE ALA GLN TYR HIS SEQRES 25 A 360 ASP PRO ASP ASP GLU PRO VAL ALA ASP PRO TYR ASP GLN SEQRES 26 A 360 SER PHE GLU SER ARG ASP LEU LEU ILE ASP GLU TRP LYS SEQRES 27 A 360 SER LEU THR TYR ASP GLU VAL ILE SER PHE VAL PRO PRO SEQRES 28 A 360 PRO LEU ASP GLN GLU GLU MET GLU SER HET SVG A 401 17 HET CL A 402 1 HET CL A 403 1 HET CL A 404 1 HET CL A 405 1 HET CL A 406 1 HET MG A 407 1 HET SO4 A 408 5 HET DMS A 409 4 HETNAM SVG (~{E})-1-(4-CHLOROPHENYL)-~{N}-(PYRIDIN-3-YLMETHYL) HETNAM 2 SVG ETHANIMINE HETNAM CL CHLORIDE ION HETNAM MG MAGNESIUM ION HETNAM SO4 SULFATE ION HETNAM DMS DIMETHYL SULFOXIDE FORMUL 2 SVG C14 H13 CL N2 FORMUL 3 CL 5(CL 1-) FORMUL 8 MG MG 2+ FORMUL 9 SO4 O4 S 2- FORMUL 10 DMS C2 H6 O S FORMUL 11 HOH *258(H2 O) HELIX 1 AA1 SER A 61 MET A 78 1 18 HELIX 2 AA2 SER A 95 PHE A 99 5 5 HELIX 3 AA3 LEU A 113 LYS A 118 1 6 HELIX 4 AA4 THR A 123 ALA A 144 1 22 HELIX 5 AA5 LYS A 152 SER A 154 5 3 HELIX 6 AA6 ASP A 176 THR A 180 5 5 HELIX 7 AA7 VAL A 183 TYR A 188 1 6 HELIX 8 AA8 ALA A 190 LEU A 195 1 6 HELIX 9 AA9 GLN A 202 GLY A 219 1 18 HELIX 10 AB1 ASP A 227 GLY A 240 1 14 HELIX 11 AB2 GLY A 243 LYS A 248 1 6 HELIX 12 AB3 SER A 252 SER A 261 1 10 HELIX 13 AB4 ASN A 269 VAL A 273 5 5 HELIX 14 AB5 ASN A 278 LEU A 289 1 12 HELIX 15 AB6 ASP A 292 ARG A 296 5 5 HELIX 16 AB7 THR A 298 ALA A 304 1 7 HELIX 17 AB8 HIS A 305 ALA A 309 5 5 HELIX 18 AB9 GLN A 325 ARG A 330 5 6 HELIX 19 AC1 LEU A 333 SER A 347 1 15 SHEET 1 AA1 2 PHE A 8 LEU A 13 0 SHEET 2 AA1 2 THR A 16 PRO A 21 -1 O TRP A 18 N GLN A 11 SHEET 1 AA2 5 TYR A 24 SER A 32 0 SHEET 2 AA2 5 GLY A 36 ASP A 43 -1 O PHE A 42 N GLN A 25 SHEET 3 AA2 5 ARG A 49 LEU A 55 -1 O VAL A 50 N ALA A 41 SHEET 4 AA2 5 TYR A 103 HIS A 107 -1 O LEU A 104 N LYS A 53 SHEET 5 AA2 5 ASP A 88 PHE A 90 -1 N ASP A 88 O VAL A 105 SHEET 1 AA3 2 LEU A 156 VAL A 158 0 SHEET 2 AA3 2 LEU A 164 ILE A 166 -1 O LYS A 165 N ALA A 157 LINK OD1 ASN A 155 MG MG A 407 1555 1555 2.15 LINK OD2 ASP A 168 MG MG A 407 1555 1555 2.10 LINK MG MG A 407 O HOH A 647 1555 1555 2.06 LINK MG MG A 407 O HOH A 691 1555 1555 2.09 LINK MG MG A 407 O HOH A 581 1555 1555 2.16 LINK MG MG A 407 O HOH A 661 1555 1555 2.14 SITE *** AC1 4 HIS A 126 PHE A 129 ASP A 161 TYR A 311 SITE *** AC2 5 GLU A 22 ARG A 23 HOH A 639 HOH A 715 SITE *** AC2 5 HOH A 754 SITE *** AC3 3 THR A 91 ASN A 100 ASP A 101 SITE *** AC4 3 GLY A 85 HIS A 107 HOH A 571 SITE *** AC5 5 ARG A 73 ARG A 220 ASP A 324 HOH A 620 SITE *** AC5 5 HOH A 680 SITE *** AC6 4 ASN A 114 SER A 154 HOH A 600 HOH A 688 SITE *** AC7 6 ASN A 155 ASP A 168 HOH A 581 HOH A 647 SITE *** AC7 6 HOH A 661 HOH A 691 SITE *** AC8 6 ARG A 220 THR A 221 HOH A 502 HOH A 506 SITE *** AC8 6 HOH A 520 HOH A 584 SITE *** AC9 5 LYS A 76 LYS A 79 HOH A 529 HOH A 586 SITE *** AC9 5 HOH A 650 CRYST1 45.823 85.946 127.491 90.00 90.00 90.00 P 21 21 21 4 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 0.021823 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011635 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007844 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 : A 155 ASNHD21 : A 155 ASN OD1 : A 407 MGMG :(metal ligand) USER MOD NoAdj : A 155 ASNHD22 : A 155 ASN OD1 : A 407 MGMG :(metal ligand) USER MOD Set 1.1: A 252 SER OG : rot 173:sc= 0.709 USER MOD Set 1.2: A 254 SER OG : rot 21:sc= 0.351 USER MOD Set 2.1: A 201 ASN :FLIP amide:sc= 0.657 F(o=-6.3!,f=1.4) USER MOD Set 2.2: A 203 THR OG1 : rot -67:sc= 0.711 USER MOD Set 3.1: A 128 GLN :FLIP amide:sc= 1.07 F(o=-2,f=2.2) USER MOD Set 3.2: A 310 GLN :FLIP amide:sc= 1.17 F(o=-2!,f=2.2) USER MOD Set 4.1: A 123 THR OG1 : rot -61:sc= 0.471 USER MOD Set 4.2: A 126 HIS : no HD1:sc= -1.65! C(o=-1.2!,f=-4.7!) USER MOD Set 4.3: A 162 CYS SG : rot 180:sc= 0 USER MOD Set 5.1: A 80 HIS : no HD1:sc= 1.09 K(o=1.7,f=-4.2!) USER MOD Set 5.2: A 82 ASN : amide:sc= 0.569 K(o=1.7,f=-3.3!) USER MOD Set 6.1: A 79 LYS NZ :NH3+ -172:sc= 0.124 (180deg=0.111) USER MOD Set 6.2: A 409 DMS C1 :methyl -173:sc= -0.0408 (180deg=-0.195) USER MOD Set 7.1: A 76 LYS NZ :NH3+ 176:sc= 2.47 (180deg=2.45) USER MOD Set 7.2: A 347 SER OG : rot -87:sc= 0.0859 USER MOD Set 8.1: A 61 SER OG : rot -107:sc= 1.42 USER MOD Set 8.2: A 64 HIS : no HD1:sc= 1.16 K(o=2.6,f=-8.8!) USER MOD Set 9.1: A 46 THR OG1 : rot 144:sc= 0.486 USER MOD Set 9.2: A 48 HIS : no HD1:sc= 0.254 K(o=0.63,f=-0.37) USER MOD Set 9.3: A 107 HIS : no HE2:sc= -0.114 K(o=0.63,f=0.074) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -1:sc= 2.12 USER MOD Single : A 11 GLN :FLIP amide:sc= 1.26 F(o=0.75,f=1.3) USER MOD Single : A 16 THR OG1 : rot 77:sc= 0.448 USER MOD Single : A 24 TYR OH : rot -178:sc= 1.03 USER MOD Single : A 25 GLN : amide:sc= 1.77 K(o=1.8,f=-0.54) USER MOD Single : A 26 ASN : amide:sc= 0.00745 X(o=0.0074,f=-0.16) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 CYS SG : rot 88:sc= 0.148 USER MOD Single : A 44 THR OG1 : rot -72:sc= 0.443 USER MOD Single : A 53 LYS NZ :NH3+ -174:sc= 0.864 (180deg=0.846) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.24) USER MOD Single : A 56 SER OG : rot 35:sc= 0.0301 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.0667 F(o=-0.66,f=-0.067) USER MOD Single : A 66 LYS NZ :NH3+ -175:sc= 1.73 (180deg=1.69) USER MOD Single : A 68 THR OG1 : rot 142:sc= 1.65 USER MOD Single : A 69 TYR OH : rot 11:sc= 2.35 USER MOD Single : A 77 HIS :FLIP no HD1:sc= 0.344 F(o=-1.2,f=0.34) USER MOD Single : A 78 MET CE A:methyl 177:sc= -0.583 (180deg=-0.61) USER MOD Single : A 78 MET CE B:methyl 156:sc= -3.08! (180deg=-5.2!) USER MOD Single : A 91 THR OG1 : rot 88:sc= 0.46 USER MOD Single : A 95 SER OG : rot 180:sc= -0.0953 USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 4:sc= 1.57 USER MOD Single : A 106 THR OG1 : rot -88:sc= 0.0988 USER MOD Single : A 109 MET CE :methyl -114:sc= -2.09 (180deg=-3.81) USER MOD Single : A 114 ASN : amide:sc= 0.298 K(o=0.3,f=-1.4!) USER MOD Single : A 115 ASN :FLIP amide:sc= -0.243 F(o=-1.6,f=-0.24) USER MOD Single : A 119 CYS SG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 132 TYR OH : rot -12:sc= 2.22 USER MOD Single : A 133 GLN : amide:sc= 1.43 K(o=1.4,f=-4.1!) USER MOD Single : A 139 LYS NZ :NH3+ 176:sc= 1.99 (180deg=1.96) USER MOD Single : A 140 TYR OH : rot -143:sc= 1.69 USER MOD Single : A 142 HIS : +bothHN:sc= 1.95 K(o=1.9,f=-6.6!) USER MOD Single : A 143 SER OG : rot -51:sc= 1.94 USER MOD Single : A 148 HIS : no HD1:sc= 0.884 K(o=0.88,f=-7.8!) USER MOD Single : A 152 LYS NZ :NH3+ -171:sc= 0.943 (180deg=0.903) USER MOD Single : A 154 SER OG : rot -89:sc= 1.36 USER MOD Single : A 159 ASN : amide:sc= -0.322 K(o=-0.32,f=-6.4!) USER MOD Single : A 165 LYS NZ :NH3+ -176:sc= 1.34 (180deg=1.33) USER MOD Single : A 174 HIS :FLIP no HD1:sc= 0.348 F(o=-0.7,f=0.35) USER MOD Single : A 175 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 MET CE :methyl -158:sc= -0.503 (180deg=-1.33) USER MOD Single : A 180 THR OG1 : rot 69:sc= 0.673 USER MOD Single : A 182 TYR OH : rot 170:sc= 0.962 USER MOD Single : A 185 THR OG1 : rot 170:sc= 1.12 USER MOD Single : A 188 TYR OH : rot -175:sc= 3.02 USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 196 ASN : amide:sc= -0.0131 K(o=-0.013,f=-0.72) USER MOD Single : A 198 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 199 HIS : no HD1:sc= -0.0331 X(o=-0.033,f=-0.11) USER MOD Single : A 200 TYR OH : rot 180:sc= -3.86! USER MOD Single : A 202 GLN : amide:sc= 1.03 X(o=1,f=0.94) USER MOD Single : A 208 SER OG : rot -52:sc= 1.66 USER MOD Single : A 211 CYS SG : rot -82:sc= 0.0522 USER MOD Single : A 213 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 218 THR OG1 : rot -66:sc= 1.12 USER MOD Single : A 221 THR OG1 : rot 74:sc= 1.32 USER MOD Single : A 226 THR OG1 : rot 180:sc= 0 USER MOD Single : A 228 HIS : no HD1:sc= 0.0264 K(o=0.026,f=-0.93) USER MOD Single : A 231 GLN : amide:sc= 0.38 K(o=0.38,f=-2.7!) USER MOD Single : A 233 LYS NZ :NH3+ -177:sc= 1.62 (180deg=1.61) USER MOD Single : A 241 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 249 LYS NZ :NH3+ 163:sc= 2.37 (180deg=1.85) USER MOD Single : A 251 SER OG : rot 180:sc= 0 USER MOD Single : A 257 ASN : amide:sc= -0.205 X(o=-0.2,f=-0.7) USER MOD Single : A 258 TYR OH : rot 180:sc= 0 USER MOD Single : A 260 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 261 SER OG : rot -58:sc= 1.33 USER MOD Single : A 264 GLN : amide:sc= 1.01 X(o=1,f=0.85) USER MOD Single : A 265 MET CE :methyl -166:sc= -0.0499 (180deg=-0.291) USER MOD Single : A 267 LYS NZ :NH3+ -165:sc= 1.96 (180deg=1.41) USER MOD Single : A 268 MET CE :methyl 175:sc= 0 (180deg=-0.0468) USER MOD Single : A 269 ASN : amide:sc= -1.07 K(o=-1.1,f=-7.3!) USER MOD Single : A 272 ASN :FLIP amide:sc= -0.0514 F(o=-1.6!,f=-0.051) USER MOD Single : A 278 ASN : amide:sc= 2.15 K(o=2.2,f=-5.4!) USER MOD Single : A 287 LYS NZ :NH3+ 170:sc= 0.864 (180deg=0.798) USER MOD Single : A 288 MET CE A:methyl 178:sc= 0 (180deg=-0.00705) USER MOD Single : A 288 MET CE B:methyl 154:sc= -0.146 (180deg=-0.991) USER MOD Single : A 293 SER OG : rot -89:sc= 0.93 USER MOD Single : A 295 LYS NZ :NH3+ -161:sc= 0.997 (180deg=0.663) USER MOD Single : A 298 THR OG1 : rot -174:sc= 0.786 USER MOD Single : A 301 GLN : amide:sc= 1.39 K(o=1.4,f=-2.7!) USER MOD Single : A 305 HIS : no HD1:sc= 1.47 K(o=1.5,f=-6.7!) USER MOD Single : A 307 TYR OH : rot -1:sc= 1.03 USER MOD Single : A 311 TYR OH : rot 30:sc= 0 USER MOD Single : A 312 HIS : no HE2:sc= 0.697 K(o=0.7,f=-2.5!) USER MOD Single : A 323 TYR OH : rot -145:sc= 1.74 USER MOD Single : A 325 GLN : amide:sc= 1.34 K(o=1.3,f=0.093) USER MOD Single : A 326 SER OG : rot -76:sc= 1.11 USER MOD Single : A 329 SER OG : rot 180:sc= 0 USER MOD Single : A 338 LYS NZ :NH3+ -151:sc= 0.268 (180deg=-0.0846) USER MOD Single : A 339 SER OG : rot -85:sc= 1.76 USER MOD Single : A 341 THR OG1 : rot 72:sc= 0.375 USER MOD Single : A 342 TYR OH : rot 180:sc= 1.1 USER MOD Single : A 409 DMS C2 :methyl 168:sc= -0.521 (180deg=-0.525) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 5 71.264 125.930 40.396 1.00 42.96 N ATOM 2 CA ARG A 5 70.163 125.083 40.995 1.00 40.21 C ATOM 3 C ARG A 5 69.239 126.009 41.784 1.00 34.71 C ATOM 4 O ARG A 5 69.675 126.773 42.639 1.00 34.95 O ATOM 5 CB ARG A 5 70.701 123.943 41.872 1.00 36.77 C ATOM 6 CG ARG A 5 69.635 123.019 42.451 1.00 41.11 C ATOM 7 CD ARG A 5 70.181 122.019 43.460 1.00 37.93 C ATOM 8 NE ARG A 5 69.216 121.087 44.035 1.00 38.34 N ATOM 9 CZ ARG A 5 68.523 121.308 45.146 1.00 35.98 C ATOM 10 NH1 ARG A 5 68.677 122.457 45.796 1.00 39.58 N ATOM 11 NH2 ARG A 5 67.710 120.380 45.641 1.00 33.51 N ATOM 0 HA ARG A 5 69.674 124.645 40.281 1.00 40.21 H new ATOM 0 HB2 ARG A 5 71.319 123.412 41.346 1.00 36.77 H new ATOM 0 HB3 ARG A 5 71.209 124.328 42.604 1.00 36.77 H new ATOM 0 HG2 ARG A 5 68.949 123.556 42.877 1.00 41.11 H new ATOM 0 HG3 ARG A 5 69.208 122.536 41.726 1.00 41.11 H new ATOM 0 HD2 ARG A 5 70.882 121.505 43.030 1.00 37.93 H new ATOM 0 HD3 ARG A 5 70.596 122.513 44.184 1.00 37.93 H new ATOM 0 HE ARG A 5 69.087 120.342 43.625 1.00 38.34 H new ATOM 0 HH11 ARG A 5 69.222 123.051 45.496 1.00 39.58 H new ATOM 0 HH12 ARG A 5 68.231 122.607 46.516 1.00 39.58 H new ATOM 0 HH21 ARG A 5 67.627 119.623 45.241 1.00 33.51 H new ATOM 0 HH22 ARG A 5 67.267 120.536 46.361 1.00 33.51 H new ATOM 12 N PRO A 6 67.914 126.000 41.536 1.00 33.32 N ATOM 13 CA PRO A 6 67.000 126.757 42.389 1.00 29.40 C ATOM 14 C PRO A 6 66.931 126.184 43.794 1.00 27.78 C ATOM 15 O PRO A 6 67.395 125.066 44.022 1.00 27.38 O ATOM 16 CB PRO A 6 65.616 126.563 41.768 1.00 33.36 C ATOM 17 CG PRO A 6 65.763 125.407 40.796 1.00 34.44 C ATOM 18 CD PRO A 6 67.234 125.280 40.445 1.00 32.87 C ATOM 0 HA PRO A 6 67.293 127.680 42.447 1.00 29.40 H new ATOM 0 HB2 PRO A 6 64.953 126.365 42.448 1.00 33.36 H new ATOM 0 HB3 PRO A 6 65.323 127.367 41.312 1.00 33.36 H new ATOM 0 HG2 PRO A 6 65.436 124.585 41.194 1.00 34.44 H new ATOM 0 HG3 PRO A 6 65.235 125.565 39.998 1.00 34.44 H new ATOM 0 HD2 PRO A 6 67.512 124.352 40.403 1.00 32.87 H new ATOM 0 HD3 PRO A 6 67.430 125.674 39.581 1.00 32.87 H new ATOM 19 N THR A 7 66.424 126.996 44.746 1.00 27.04 N ATOM 20 CA THR A 7 66.012 126.514 46.052 1.00 25.30 C ATOM 21 C THR A 7 64.681 125.769 45.935 1.00 26.01 C ATOM 22 O THR A 7 63.714 126.289 45.304 1.00 25.10 O ATOM 23 CB THR A 7 65.857 127.669 47.068 1.00 27.62 C ATOM 24 OG1 THR A 7 67.152 128.272 47.187 1.00 30.33 O ATOM 25 CG2 THR A 7 65.309 127.192 48.394 1.00 29.06 C ATOM 0 H THR A 7 66.315 127.842 44.637 1.00 27.04 H new ATOM 0 HA THR A 7 66.705 125.916 46.374 1.00 25.30 H new ATOM 0 HB THR A 7 65.207 128.320 46.761 1.00 27.62 H new ATOM 0 HG1 THR A 7 67.115 128.910 47.732 1.00 30.33 H new ATOM 0 HG21 THR A 7 65.228 127.945 49.000 1.00 29.06 H new ATOM 0 HG22 THR A 7 64.436 126.791 48.258 1.00 29.06 H new ATOM 0 HG23 THR A 7 65.911 126.534 48.775 1.00 29.06 H new ATOM 26 N PHE A 8 64.588 124.629 46.598 1.00 24.97 N ATOM 27 CA PHE A 8 63.379 123.801 46.697 1.00 23.46 C ATOM 28 C PHE A 8 62.776 123.907 48.098 1.00 24.92 C ATOM 29 O PHE A 8 63.531 124.112 49.087 1.00 32.29 O ATOM 30 CB PHE A 8 63.668 122.324 46.422 1.00 24.82 C ATOM 31 CG PHE A 8 64.025 121.972 44.997 1.00 24.13 C ATOM 32 CD1 PHE A 8 65.205 122.392 44.427 1.00 24.06 C ATOM 33 CD2 PHE A 8 63.184 121.151 44.276 1.00 26.07 C ATOM 34 CE1 PHE A 8 65.540 122.035 43.126 1.00 24.92 C ATOM 35 CE2 PHE A 8 63.521 120.786 42.987 1.00 24.62 C ATOM 36 CZ PHE A 8 64.668 121.248 42.401 1.00 25.05 C ATOM 0 H PHE A 8 65.255 124.294 47.025 1.00 24.97 H new ATOM 0 HA PHE A 8 62.761 124.134 46.027 1.00 23.46 H new ATOM 0 HB2 PHE A 8 64.396 122.043 46.998 1.00 24.82 H new ATOM 0 HB3 PHE A 8 62.888 121.807 46.678 1.00 24.82 H new ATOM 0 HD1 PHE A 8 65.788 122.923 44.920 1.00 24.06 H new ATOM 0 HD2 PHE A 8 62.393 120.844 44.656 1.00 26.07 H new ATOM 0 HE1 PHE A 8 66.340 122.322 42.749 1.00 24.92 H new ATOM 0 HE2 PHE A 8 62.960 120.218 42.510 1.00 24.62 H new ATOM 0 HZ PHE A 8 64.859 121.032 41.517 1.00 25.05 H new ATOM 37 N TYR A 9 61.474 123.797 48.180 1.00 24.08 N ATOM 38 CA TYR A 9 60.687 123.677 49.434 1.00 26.63 C ATOM 39 C TYR A 9 59.792 122.429 49.420 1.00 28.73 C ATOM 40 O TYR A 9 59.350 121.985 48.345 1.00 24.82 O ATOM 41 CB TYR A 9 59.915 124.990 49.699 1.00 23.65 C ATOM 42 CG TYR A 9 58.679 125.271 48.900 1.00 21.90 C ATOM 43 CD1 TYR A 9 58.730 125.737 47.580 1.00 20.07 C ATOM 44 CD2 TYR A 9 57.416 125.119 49.445 1.00 23.84 C ATOM 45 CE1 TYR A 9 57.574 126.027 46.872 1.00 21.16 C ATOM 46 CE2 TYR A 9 56.255 125.352 48.734 1.00 23.62 C ATOM 47 CZ TYR A 9 56.329 125.837 47.423 1.00 22.59 C ATOM 48 OH TYR A 9 55.194 126.075 46.704 1.00 25.27 O ATOM 0 H TYR A 9 60.976 123.787 47.479 1.00 24.08 H new ATOM 0 HA TYR A 9 61.292 123.548 50.181 1.00 26.63 H new ATOM 0 HB2 TYR A 9 59.668 125.002 50.637 1.00 23.65 H new ATOM 0 HB3 TYR A 9 60.530 125.727 49.558 1.00 23.65 H new ATOM 0 HD1 TYR A 9 59.557 125.854 47.170 1.00 20.07 H new ATOM 0 HD2 TYR A 9 57.346 124.847 50.332 1.00 23.84 H new ATOM 0 HE1 TYR A 9 57.642 126.357 46.005 1.00 21.16 H new ATOM 0 HE2 TYR A 9 55.427 125.187 49.125 1.00 23.62 H new ATOM 0 HH TYR A 9 55.400 126.355 45.939 1.00 25.27 H new ATOM 49 N ARG A 10 59.460 121.880 50.608 1.00 29.21 N ATOM 50 CA ARG A 10 58.720 120.585 50.805 1.00 31.65 C ATOM 51 C ARG A 10 57.334 120.821 51.372 1.00 35.77 C ATOM 52 O ARG A 10 57.139 121.782 52.203 1.00 39.00 O ATOM 53 CB ARG A 10 59.453 119.583 51.704 1.00 33.88 C ATOM 54 CG ARG A 10 60.936 119.453 51.409 1.00 38.95 C ATOM 55 CD ARG A 10 61.686 118.400 52.220 1.00 45.89 C ATOM 56 NE ARG A 10 60.855 117.261 52.554 1.00 48.50 N ATOM 0 H ARG A 10 59.663 122.258 51.353 1.00 29.21 H new ATOM 0 HA ARG A 10 58.660 120.197 49.918 1.00 31.65 H new ATOM 0 HB2 ARG A 10 59.340 119.851 52.629 1.00 33.88 H new ATOM 0 HB3 ARG A 10 59.037 118.712 51.608 1.00 33.88 H new ATOM 0 HG2 ARG A 10 61.044 119.249 50.467 1.00 38.95 H new ATOM 0 HG3 ARG A 10 61.356 120.314 51.562 1.00 38.95 H new ATOM 0 HD2 ARG A 10 62.457 118.097 51.716 1.00 45.89 H new ATOM 0 HD3 ARG A 10 62.021 118.803 53.036 1.00 45.89 H new ATOM 57 N GLN A 11 56.357 120.056 50.932 1.00 39.03 N ATOM 58 CA GLN A 11 55.056 120.014 51.642 1.00 44.27 C ATOM 59 C GLN A 11 54.395 118.660 51.391 1.00 48.71 C ATOM 60 O GLN A 11 54.787 117.964 50.447 1.00 36.03 O ATOM 61 CB GLN A 11 54.211 121.208 51.219 1.00 47.88 C ATOM 62 CG GLN A 11 53.584 121.100 49.850 1.00 48.16 C ATOM 63 CD GLN A 11 53.084 122.451 49.392 1.00 59.93 C ATOM 64 OE1 GLN A 11 53.875 123.093 48.553 1.00 55.99 O flip ATOM 65 NE2 GLN A 11 51.997 122.906 49.758 1.00 48.84 N flip ATOM 0 H GLN A 11 56.407 119.553 50.236 1.00 39.03 H new ATOM 0 HA GLN A 11 55.171 120.091 52.602 1.00 44.27 H new ATOM 0 HB2 GLN A 11 53.506 121.335 51.873 1.00 47.88 H new ATOM 0 HB3 GLN A 11 54.766 122.003 51.243 1.00 47.88 H new ATOM 0 HG2 GLN A 11 54.234 120.757 49.216 1.00 48.16 H new ATOM 0 HG3 GLN A 11 52.849 120.467 49.873 1.00 48.16 H new ATOM 0 HE21 GLN A 11 51.507 122.460 50.306 1.00 48.84 H new ATOM 0 HE22 GLN A 11 51.730 123.669 49.465 1.00 48.84 H new ATOM 66 N GLU A 12 53.446 118.305 52.247 1.00 44.32 N ATOM 67 CA GLU A 12 52.614 117.090 52.130 1.00 47.20 C ATOM 68 C GLU A 12 51.251 117.490 51.556 1.00 48.90 C ATOM 69 O GLU A 12 50.515 118.205 52.230 1.00 58.68 O ATOM 70 CB GLU A 12 52.525 116.408 53.501 1.00 53.12 C ATOM 71 CG GLU A 12 51.501 115.279 53.557 1.00 60.31 C ATOM 72 CD GLU A 12 51.888 114.093 54.434 1.00 66.68 C ATOM 73 OE1 GLU A 12 52.758 114.264 55.328 1.00 68.95 O ATOM 74 OE2 GLU A 12 51.342 112.991 54.200 1.00 69.27 O ATOM 0 H GLU A 12 53.254 118.776 52.941 1.00 44.32 H new ATOM 0 HA GLU A 12 53.004 116.442 51.523 1.00 47.20 H new ATOM 0 HB2 GLU A 12 53.398 116.055 53.735 1.00 53.12 H new ATOM 0 HB3 GLU A 12 52.299 117.073 54.170 1.00 53.12 H new ATOM 0 HG2 GLU A 12 50.660 115.640 53.879 1.00 60.31 H new ATOM 0 HG3 GLU A 12 51.345 114.958 52.655 1.00 60.31 H new ATOM 75 N LEU A 13 50.926 117.018 50.359 1.00 57.47 N ATOM 76 CA LEU A 13 49.602 117.226 49.728 1.00 65.56 C ATOM 77 C LEU A 13 48.957 115.849 49.526 1.00 69.46 C ATOM 78 O LEU A 13 49.465 115.082 48.675 1.00 65.51 O ATOM 79 CB LEU A 13 49.792 117.988 48.409 1.00 69.66 C ATOM 80 CG LEU A 13 49.974 119.503 48.529 1.00 63.46 C ATOM 0 H LEU A 13 51.468 116.560 49.874 1.00 57.47 H new ATOM 0 HA LEU A 13 49.014 117.760 50.285 1.00 65.56 H new ATOM 0 HB2 LEU A 13 50.566 117.622 47.954 1.00 69.66 H new ATOM 0 HB3 LEU A 13 49.023 117.816 47.843 1.00 69.66 H new ATOM 81 N ASN A 14 47.903 115.547 50.304 1.00 73.63 N ATOM 82 CA ASN A 14 47.143 114.264 50.277 1.00 65.09 C ATOM 83 C ASN A 14 48.136 113.091 50.250 1.00 64.11 C ATOM 84 O ASN A 14 48.300 112.461 49.177 1.00 65.86 O ATOM 85 CB ASN A 14 46.150 114.222 49.108 1.00 69.90 C ATOM 0 H ASN A 14 47.595 116.100 50.886 1.00 73.63 H new ATOM 0 HA ASN A 14 46.606 114.190 51.081 1.00 65.09 H new ATOM 86 N LYS A 15 48.834 112.867 51.367 1.00 61.87 N ATOM 87 CA LYS A 15 49.604 111.621 51.662 1.00 65.73 C ATOM 88 C LYS A 15 50.908 111.536 50.841 1.00 61.01 C ATOM 89 O LYS A 15 51.578 110.487 50.910 1.00 52.24 O ATOM 90 CB LYS A 15 48.724 110.395 51.392 1.00 66.67 C ATOM 0 H LYS A 15 48.882 113.446 52.001 1.00 61.87 H new ATOM 0 HA LYS A 15 49.857 111.643 52.598 1.00 65.73 H new ATOM 91 N THR A 16 51.308 112.616 50.159 1.00 55.41 N ATOM 92 CA THR A 16 52.431 112.635 49.174 1.00 44.86 C ATOM 93 C THR A 16 53.402 113.786 49.535 1.00 39.06 C ATOM 94 O THR A 16 52.917 114.898 49.723 1.00 36.69 O ATOM 95 CB THR A 16 51.816 112.795 47.772 1.00 50.57 C ATOM 96 OG1 THR A 16 50.692 111.921 47.638 1.00 57.65 O ATOM 97 CG2 THR A 16 52.779 112.522 46.637 1.00 47.95 C ATOM 0 H THR A 16 50.931 113.383 50.251 1.00 55.41 H new ATOM 0 HA THR A 16 52.947 111.814 49.192 1.00 44.86 H new ATOM 0 HB THR A 16 51.556 113.727 47.702 1.00 50.57 H new ATOM 0 HG1 THR A 16 50.035 112.245 48.048 1.00 57.65 H new ATOM 0 HG21 THR A 16 52.323 112.642 45.789 1.00 47.95 H new ATOM 0 HG22 THR A 16 53.527 113.138 46.691 1.00 47.95 H new ATOM 0 HG23 THR A 16 53.106 111.611 46.702 1.00 47.95 H new ATOM 98 N ILE A 17 54.713 113.566 49.640 1.00 37.46 N ATOM 99 CA ILE A 17 55.696 114.689 49.786 1.00 39.03 C ATOM 100 C ILE A 17 55.969 115.334 48.409 1.00 39.54 C ATOM 101 O ILE A 17 56.342 114.626 47.433 1.00 41.84 O ATOM 102 CB ILE A 17 56.976 114.237 50.499 1.00 44.85 C ATOM 103 CG1 ILE A 17 56.691 113.774 51.934 1.00 46.43 C ATOM 104 CG2 ILE A 17 58.044 115.328 50.451 1.00 48.35 C ATOM 105 CD1 ILE A 17 56.212 114.847 52.861 1.00 49.58 C ATOM 0 H ILE A 17 55.069 112.783 49.631 1.00 37.46 H new ATOM 0 HA ILE A 17 55.308 115.371 50.356 1.00 39.03 H new ATOM 0 HB ILE A 17 57.325 113.468 50.022 1.00 44.85 H new ATOM 0 HG12 ILE A 17 56.026 113.069 51.906 1.00 46.43 H new ATOM 0 HG13 ILE A 17 57.501 113.386 52.301 1.00 46.43 H new ATOM 0 HG21 ILE A 17 58.843 115.020 50.907 1.00 48.35 H new ATOM 0 HG22 ILE A 17 58.258 115.531 49.527 1.00 48.35 H new ATOM 0 HG23 ILE A 17 57.710 116.127 50.888 1.00 48.35 H new ATOM 0 HD11 ILE A 17 56.057 114.469 53.741 1.00 49.58 H new ATOM 0 HD12 ILE A 17 56.883 115.545 52.922 1.00 49.58 H new ATOM 0 HD13 ILE A 17 55.385 115.223 52.521 1.00 49.58 H new ATOM 106 N TRP A 18 55.753 116.637 48.297 1.00 29.60 N ATOM 107 CA TRP A 18 56.099 117.426 47.070 1.00 30.09 C ATOM 108 C TRP A 18 57.295 118.318 47.384 1.00 29.68 C ATOM 109 O TRP A 18 57.244 119.071 48.384 1.00 29.45 O ATOM 110 CB TRP A 18 54.886 118.210 46.590 1.00 30.65 C ATOM 111 CG TRP A 18 53.843 117.330 45.983 1.00 36.33 C ATOM 112 CD1 TRP A 18 53.101 116.349 46.589 1.00 48.15 C ATOM 113 CD2 TRP A 18 53.397 117.370 44.620 1.00 30.66 C ATOM 114 NE1 TRP A 18 52.255 115.759 45.684 1.00 45.42 N ATOM 115 CE2 TRP A 18 52.402 116.381 44.465 1.00 35.64 C ATOM 116 CE3 TRP A 18 53.757 118.124 43.501 1.00 26.93 C ATOM 117 CZ2 TRP A 18 51.785 116.133 43.238 1.00 29.94 C ATOM 118 CZ3 TRP A 18 53.113 117.901 42.299 1.00 26.03 C ATOM 119 CH2 TRP A 18 52.148 116.907 42.160 1.00 28.30 C ATOM 0 H TRP A 18 55.400 117.110 48.923 1.00 29.60 H new ATOM 0 HA TRP A 18 56.349 116.836 46.342 1.00 30.09 H new ATOM 0 HB2 TRP A 18 54.502 118.695 47.337 1.00 30.65 H new ATOM 0 HB3 TRP A 18 55.168 118.870 45.938 1.00 30.65 H new ATOM 0 HD1 TRP A 18 53.162 116.116 47.487 1.00 48.15 H new ATOM 0 HE1 TRP A 18 51.720 115.107 45.851 1.00 45.42 H new ATOM 0 HE3 TRP A 18 54.423 118.770 43.564 1.00 26.93 H new ATOM 0 HZ2 TRP A 18 51.146 115.463 43.151 1.00 29.94 H new ATOM 0 HZ3 TRP A 18 53.330 118.428 41.564 1.00 26.03 H new ATOM 0 HH2 TRP A 18 51.746 116.765 41.333 1.00 28.30 H new ATOM 120 N GLU A 19 58.377 118.199 46.614 1.00 24.29 N ATOM 121 CA GLU A 19 59.571 119.035 46.777 1.00 24.40 C ATOM 122 C GLU A 19 59.802 119.745 45.446 1.00 25.42 C ATOM 123 O GLU A 19 60.155 119.082 44.469 1.00 23.23 O ATOM 124 CB GLU A 19 60.732 118.190 47.261 1.00 27.62 C ATOM 125 CG GLU A 19 61.961 118.983 47.597 1.00 28.21 C ATOM 126 CD GLU A 19 63.023 118.331 48.488 1.00 34.32 C ATOM 127 OE1 GLU A 19 62.890 117.117 48.785 1.00 38.53 O ATOM 128 OE2 GLU A 19 64.004 119.051 48.854 1.00 34.21 O ATOM 0 H GLU A 19 58.440 117.626 45.976 1.00 24.29 H new ATOM 0 HA GLU A 19 59.465 119.716 47.460 1.00 24.40 H new ATOM 0 HB2 GLU A 19 60.454 117.693 48.046 1.00 27.62 H new ATOM 0 HB3 GLU A 19 60.954 117.539 46.577 1.00 27.62 H new ATOM 0 HG2 GLU A 19 62.388 119.235 46.763 1.00 28.21 H new ATOM 0 HG3 GLU A 19 61.675 119.803 48.029 1.00 28.21 H new ATOM 129 N VAL A 20 59.607 121.063 45.409 1.00 21.86 N ATOM 130 CA VAL A 20 59.509 121.809 44.119 1.00 21.52 C ATOM 131 C VAL A 20 60.264 123.120 44.237 1.00 22.86 C ATOM 132 O VAL A 20 60.425 123.663 45.360 1.00 22.50 O ATOM 133 CB VAL A 20 58.060 122.038 43.671 1.00 19.56 C ATOM 134 CG1 VAL A 20 57.232 120.768 43.667 1.00 21.85 C ATOM 135 CG2 VAL A 20 57.324 123.146 44.490 1.00 21.80 C ATOM 0 H VAL A 20 59.527 121.555 46.110 1.00 21.86 H new ATOM 0 HA VAL A 20 59.915 121.262 43.428 1.00 21.52 H new ATOM 0 HB VAL A 20 58.142 122.350 42.756 1.00 19.56 H new ATOM 0 HG11 VAL A 20 56.329 120.971 43.377 1.00 21.85 H new ATOM 0 HG12 VAL A 20 57.629 120.124 43.060 1.00 21.85 H new ATOM 0 HG13 VAL A 20 57.207 120.395 44.562 1.00 21.85 H new ATOM 0 HG21 VAL A 20 56.417 123.243 44.161 1.00 21.80 H new ATOM 0 HG22 VAL A 20 57.302 122.896 45.427 1.00 21.80 H new ATOM 0 HG23 VAL A 20 57.795 123.988 44.392 1.00 21.80 H new ATOM 136 N PRO A 21 60.774 123.692 43.129 1.00 21.28 N ATOM 137 CA PRO A 21 61.373 125.037 43.160 1.00 20.38 C ATOM 138 C PRO A 21 60.417 126.127 43.665 1.00 21.21 C ATOM 139 O PRO A 21 59.211 126.072 43.407 1.00 19.47 O ATOM 140 CB PRO A 21 61.779 125.313 41.727 1.00 20.21 C ATOM 141 CG PRO A 21 62.012 123.858 41.184 1.00 19.12 C ATOM 142 CD PRO A 21 60.920 123.042 41.804 1.00 19.29 C ATOM 0 HA PRO A 21 62.116 125.058 43.783 1.00 20.38 H new ATOM 0 HB2 PRO A 21 61.086 125.780 41.234 1.00 20.21 H new ATOM 0 HB3 PRO A 21 62.581 125.856 41.673 1.00 20.21 H new ATOM 0 HG2 PRO A 21 61.965 123.832 40.215 1.00 19.12 H new ATOM 0 HG3 PRO A 21 62.887 123.524 41.435 1.00 19.12 H new ATOM 0 HD2 PRO A 21 60.100 123.079 41.288 1.00 19.29 H new ATOM 0 HD3 PRO A 21 61.164 122.106 41.882 1.00 19.29 H new ATOM 143 N GLU A 22 60.992 127.117 44.374 1.00 23.44 N ATOM 144 CA GLU A 22 60.222 128.275 44.911 1.00 23.04 C ATOM 145 C GLU A 22 59.385 129.014 43.875 1.00 21.66 C ATOM 146 O GLU A 22 58.309 129.533 44.266 1.00 22.23 O ATOM 147 CB GLU A 22 61.152 129.292 45.573 1.00 21.51 C ATOM 148 CG GLU A 22 62.012 128.755 46.717 1.00 24.66 C ATOM 149 CD GLU A 22 62.895 129.875 47.299 1.00 24.10 C ATOM 150 OE1 GLU A 22 63.781 130.436 46.593 1.00 25.02 O ATOM 151 OE2 GLU A 22 62.644 130.188 48.526 1.00 27.26 O ATOM 0 H GLU A 22 61.832 127.141 44.559 1.00 23.44 H new ATOM 0 HA GLU A 22 59.613 127.880 45.554 1.00 23.04 H new ATOM 0 HB2 GLU A 22 61.739 129.659 44.894 1.00 21.51 H new ATOM 0 HB3 GLU A 22 60.615 130.026 45.911 1.00 21.51 H new ATOM 0 HG2 GLU A 22 61.443 128.390 47.413 1.00 24.66 H new ATOM 0 HG3 GLU A 22 62.570 128.029 46.396 1.00 24.66 H new ATOM 152 N ARG A 23 59.763 128.990 42.595 1.00 21.40 N ATOM 153 CA ARG A 23 58.974 129.641 41.544 1.00 22.49 C ATOM 154 C ARG A 23 57.531 129.123 41.554 1.00 21.32 C ATOM 155 O ARG A 23 56.653 129.887 41.168 1.00 23.22 O ATOM 156 CB ARG A 23 59.649 129.522 40.181 1.00 26.83 C ATOM 157 CG ARG A 23 59.569 128.128 39.589 1.00 26.56 C ATOM 158 CD ARG A 23 60.374 128.004 38.317 1.00 25.44 C ATOM 159 NE ARG A 23 59.665 128.426 37.126 1.00 25.59 N ATOM 160 CZ ARG A 23 60.139 128.260 35.885 1.00 31.81 C ATOM 161 NH1 ARG A 23 61.345 127.732 35.706 1.00 32.90 N ATOM 162 NH2 ARG A 23 59.413 128.607 34.837 1.00 33.37 N ATOM 0 H ARG A 23 60.476 128.601 42.313 1.00 21.40 H new ATOM 0 HA ARG A 23 58.931 130.592 41.732 1.00 22.49 H new ATOM 0 HB2 ARG A 23 59.237 130.151 39.568 1.00 26.83 H new ATOM 0 HB3 ARG A 23 60.581 129.777 40.266 1.00 26.83 H new ATOM 0 HG2 ARG A 23 59.891 127.483 40.238 1.00 26.56 H new ATOM 0 HG3 ARG A 23 58.642 127.908 39.406 1.00 26.56 H new ATOM 0 HD2 ARG A 23 61.183 128.532 38.405 1.00 25.44 H new ATOM 0 HD3 ARG A 23 60.649 127.080 38.208 1.00 25.44 H new ATOM 0 HE ARG A 23 58.898 128.804 37.221 1.00 25.59 H new ATOM 0 HH11 ARG A 23 61.817 127.499 36.386 1.00 32.90 H new ATOM 0 HH12 ARG A 23 61.653 127.624 34.910 1.00 32.90 H new ATOM 0 HH21 ARG A 23 58.629 128.943 34.949 1.00 33.37 H new ATOM 0 HH22 ARG A 23 59.724 128.497 34.043 1.00 33.37 H new ATOM 163 N TYR A 24 57.268 127.866 41.917 1.00 20.61 N ATOM 164 CA TYR A 24 55.899 127.262 41.820 1.00 20.25 C ATOM 165 C TYR A 24 55.202 127.437 43.182 1.00 20.84 C ATOM 166 O TYR A 24 55.690 126.926 44.204 1.00 22.83 O ATOM 167 CB TYR A 24 55.971 125.769 41.428 1.00 21.77 C ATOM 168 CG TYR A 24 56.661 125.555 40.098 1.00 20.77 C ATOM 169 CD1 TYR A 24 56.088 126.020 38.924 1.00 19.75 C ATOM 170 CD2 TYR A 24 57.927 124.982 40.017 1.00 20.11 C ATOM 171 CE1 TYR A 24 56.710 125.871 37.683 1.00 19.19 C ATOM 172 CE2 TYR A 24 58.562 124.828 38.783 1.00 19.56 C ATOM 173 CZ TYR A 24 57.939 125.246 37.615 1.00 19.65 C ATOM 174 OH TYR A 24 58.525 125.173 36.378 1.00 20.67 O ATOM 0 H TYR A 24 57.864 127.329 42.227 1.00 20.61 H new ATOM 0 HA TYR A 24 55.393 127.711 41.125 1.00 20.25 H new ATOM 0 HB2 TYR A 24 56.445 125.278 42.118 1.00 21.77 H new ATOM 0 HB3 TYR A 24 55.073 125.404 41.386 1.00 21.77 H new ATOM 0 HD1 TYR A 24 55.262 126.445 38.965 1.00 19.75 H new ATOM 0 HD2 TYR A 24 58.354 124.699 40.793 1.00 20.11 H new ATOM 0 HE1 TYR A 24 56.301 126.189 36.911 1.00 19.19 H new ATOM 0 HE2 TYR A 24 59.408 124.443 38.743 1.00 19.56 H new ATOM 0 HH TYR A 24 59.251 124.755 36.436 1.00 20.67 H new ATOM 175 N GLN A 25 54.114 128.217 43.157 1.00 22.43 N ATOM 176 CA GLN A 25 53.324 128.629 44.368 1.00 24.03 C ATOM 177 C GLN A 25 51.879 128.116 44.321 1.00 24.61 C ATOM 178 O GLN A 25 51.362 127.856 43.255 1.00 25.53 O ATOM 179 CB GLN A 25 53.423 130.165 44.530 1.00 21.23 C ATOM 180 CG GLN A 25 54.822 130.636 44.948 1.00 22.17 C ATOM 181 CD GLN A 25 55.270 130.198 46.326 1.00 24.61 C ATOM 182 OE1 GLN A 25 54.484 130.264 47.281 1.00 28.88 O ATOM 183 NE2 GLN A 25 56.511 129.729 46.441 1.00 23.94 N ATOM 0 H GLN A 25 53.795 128.537 42.425 1.00 22.43 H new ATOM 0 HA GLN A 25 53.705 128.214 45.158 1.00 24.03 H new ATOM 0 HB2 GLN A 25 53.181 130.590 43.692 1.00 21.23 H new ATOM 0 HB3 GLN A 25 52.778 130.457 45.192 1.00 21.23 H new ATOM 0 HG2 GLN A 25 55.464 130.311 44.297 1.00 22.17 H new ATOM 0 HG3 GLN A 25 54.845 131.605 44.910 1.00 22.17 H new ATOM 0 HE21 GLN A 25 57.025 129.700 45.752 1.00 23.94 H new ATOM 0 HE22 GLN A 25 56.798 129.455 47.204 1.00 23.94 H new ATOM 184 N ASN A 26 51.267 128.050 45.516 1.00 30.15 N ATOM 185 CA ASN A 26 49.811 127.774 45.718 1.00 33.11 C ATOM 186 C ASN A 26 49.437 126.420 45.078 1.00 28.36 C ATOM 187 O ASN A 26 48.453 126.284 44.298 1.00 32.67 O ATOM 188 CB ASN A 26 49.024 129.009 45.279 1.00 39.98 C ATOM 189 CG ASN A 26 49.385 130.288 46.039 1.00 47.02 C ATOM 190 OD1 ASN A 26 49.931 130.290 47.164 1.00 44.23 O ATOM 191 ND2 ASN A 26 49.106 131.420 45.414 1.00 53.78 N ATOM 0 H ASN A 26 51.690 128.166 46.255 1.00 30.15 H new ATOM 0 HA ASN A 26 49.570 127.646 46.649 1.00 33.11 H new ATOM 0 HB2 ASN A 26 49.173 129.155 44.332 1.00 39.98 H new ATOM 0 HB3 ASN A 26 48.077 128.834 45.393 1.00 39.98 H new ATOM 0 HD21 ASN A 26 49.300 132.173 45.781 1.00 53.78 H new ATOM 0 HD22 ASN A 26 48.730 131.403 44.641 1.00 53.78 H new ATOM 192 N LEU A 27 50.234 125.389 45.348 1.00 29.38 N ATOM 193 CA LEU A 27 49.973 124.026 44.827 1.00 29.53 C ATOM 194 C LEU A 27 48.631 123.526 45.368 1.00 30.60 C ATOM 195 O LEU A 27 48.422 123.684 46.555 1.00 35.58 O ATOM 196 CB LEU A 27 51.098 123.072 45.222 1.00 30.81 C ATOM 197 CG LEU A 27 52.237 123.048 44.203 1.00 34.12 C ATOM 198 CD1 LEU A 27 53.070 124.319 44.310 1.00 33.97 C ATOM 199 CD2 LEU A 27 53.082 121.806 44.363 1.00 35.89 C ATOM 0 H LEU A 27 50.940 125.449 45.835 1.00 29.38 H new ATOM 0 HA LEU A 27 49.937 124.058 43.858 1.00 29.53 H new ATOM 0 HB2 LEU A 27 51.449 123.333 46.088 1.00 30.81 H new ATOM 0 HB3 LEU A 27 50.738 122.177 45.320 1.00 30.81 H new ATOM 0 HG LEU A 27 51.855 123.019 43.312 1.00 34.12 H new ATOM 0 HD11 LEU A 27 53.788 124.291 43.659 1.00 33.97 H new ATOM 0 HD12 LEU A 27 52.508 125.090 44.137 1.00 33.97 H new ATOM 0 HD13 LEU A 27 53.445 124.386 45.202 1.00 33.97 H new ATOM 0 HD21 LEU A 27 53.796 121.814 43.707 1.00 35.89 H new ATOM 0 HD22 LEU A 27 53.463 121.786 45.255 1.00 35.89 H new ATOM 0 HD23 LEU A 27 52.530 121.020 44.230 1.00 35.89 H new ATOM 200 N SER A 28 47.791 122.971 44.505 1.00 33.10 N ATOM 201 CA SER A 28 46.503 122.356 44.926 1.00 35.44 C ATOM 202 C SER A 28 46.163 121.131 44.070 1.00 33.69 C ATOM 203 O SER A 28 46.128 121.172 42.832 1.00 34.09 O ATOM 204 CB SER A 28 45.384 123.370 44.956 1.00 42.09 C ATOM 205 OG SER A 28 45.202 123.934 43.689 1.00 48.48 O ATOM 0 H SER A 28 47.937 122.933 43.658 1.00 33.10 H new ATOM 0 HA SER A 28 46.611 122.040 45.837 1.00 35.44 H new ATOM 0 HB2 SER A 28 44.562 122.945 45.248 1.00 42.09 H new ATOM 0 HB3 SER A 28 45.588 124.066 45.600 1.00 42.09 H new ATOM 0 HG SER A 28 44.577 124.494 43.719 1.00 48.48 H new ATOM 206 N PRO A 29 45.911 119.978 44.731 1.00 39.00 N ATOM 207 CA PRO A 29 45.605 118.729 44.032 1.00 39.56 C ATOM 208 C PRO A 29 44.477 118.825 43.001 1.00 44.72 C ATOM 209 O PRO A 29 43.499 119.516 43.208 1.00 49.99 O ATOM 210 CB PRO A 29 45.257 117.783 45.185 1.00 44.64 C ATOM 211 CG PRO A 29 46.132 118.275 46.312 1.00 43.07 C ATOM 212 CD PRO A 29 46.083 119.783 46.177 1.00 42.99 C ATOM 0 HA PRO A 29 46.349 118.435 43.483 1.00 39.56 H new ATOM 0 HB2 PRO A 29 44.316 117.830 45.415 1.00 44.64 H new ATOM 0 HB3 PRO A 29 45.448 116.859 44.960 1.00 44.64 H new ATOM 0 HG2 PRO A 29 45.798 117.984 47.175 1.00 43.07 H new ATOM 0 HG3 PRO A 29 47.039 117.940 46.231 1.00 43.07 H new ATOM 0 HD2 PRO A 29 45.348 120.165 46.681 1.00 42.99 H new ATOM 0 HD3 PRO A 29 46.897 120.200 46.502 1.00 42.99 H new ATOM 213 N VAL A 30 44.650 118.156 41.874 1.00 42.27 N ATOM 214 CA VAL A 30 43.672 118.202 40.752 1.00 49.62 C ATOM 215 C VAL A 30 43.306 116.775 40.308 1.00 52.48 C ATOM 216 O VAL A 30 42.189 116.586 39.801 1.00 62.24 O ATOM 217 CB VAL A 30 44.245 119.090 39.637 1.00 55.45 C ATOM 218 CG1 VAL A 30 43.682 118.758 38.263 1.00 61.19 C ATOM 219 CG2 VAL A 30 44.012 120.552 39.999 1.00 54.08 C ATOM 0 H VAL A 30 45.333 117.657 41.720 1.00 42.27 H new ATOM 0 HA VAL A 30 42.834 118.605 41.028 1.00 49.62 H new ATOM 0 HB VAL A 30 45.197 118.917 39.573 1.00 55.45 H new ATOM 0 HG11 VAL A 30 44.077 119.347 37.601 1.00 61.19 H new ATOM 0 HG12 VAL A 30 43.890 117.837 38.042 1.00 61.19 H new ATOM 0 HG13 VAL A 30 42.720 118.879 38.270 1.00 61.19 H new ATOM 0 HG21 VAL A 30 44.371 121.120 39.300 1.00 54.08 H new ATOM 0 HG22 VAL A 30 43.060 120.715 40.091 1.00 54.08 H new ATOM 0 HG23 VAL A 30 44.456 120.753 40.838 1.00 54.08 H new ATOM 220 N GLY A 31 44.165 115.786 40.529 1.00 54.16 N ATOM 221 CA GLY A 31 43.924 114.431 40.001 1.00 58.86 C ATOM 222 C GLY A 31 45.055 113.471 40.303 1.00 59.22 C ATOM 223 O GLY A 31 46.119 113.904 40.791 1.00 50.32 O ATOM 0 H GLY A 31 44.893 115.870 40.979 1.00 54.16 H new ATOM 0 HA2 GLY A 31 43.101 114.083 40.379 1.00 58.86 H new ATOM 0 HA3 GLY A 31 43.796 114.481 39.041 1.00 58.86 H new ATOM 224 N SER A 32 44.818 112.193 40.031 1.00 66.49 N ATOM 225 CA SER A 32 45.812 111.109 40.217 1.00 75.21 C ATOM 226 C SER A 32 45.298 109.823 39.571 1.00 77.72 C ATOM 227 O SER A 32 44.380 109.205 40.144 1.00 73.41 O ATOM 228 CB SER A 32 46.123 110.922 41.678 1.00 76.03 C ATOM 229 OG SER A 32 44.972 111.164 42.471 1.00 83.45 O ATOM 0 H SER A 32 44.064 111.914 39.727 1.00 66.49 H new ATOM 0 HA SER A 32 46.642 111.352 39.779 1.00 75.21 H new ATOM 0 HB2 SER A 32 46.444 110.020 41.832 1.00 76.03 H new ATOM 0 HB3 SER A 32 46.836 111.525 41.941 1.00 76.03 H new ATOM 0 HG SER A 32 45.162 111.054 43.282 1.00 83.45 H new ATOM 230 N GLY A 33 45.837 109.492 38.393 1.00 83.46 N ATOM 231 CA GLY A 33 45.833 108.130 37.825 1.00 85.12 C ATOM 232 C GLY A 33 46.910 107.279 38.481 1.00 88.00 C ATOM 233 O GLY A 33 47.441 107.704 39.529 1.00 91.12 O ATOM 0 H GLY A 33 46.227 110.067 37.886 1.00 83.46 H new ATOM 0 HA2 GLY A 33 44.964 107.721 37.957 1.00 85.12 H new ATOM 0 HA3 GLY A 33 45.984 108.172 36.868 1.00 85.12 H new ATOM 234 N ALA A 34 47.243 106.128 37.892 1.00 86.07 N ATOM 235 CA ALA A 34 48.219 105.166 38.458 1.00 79.45 C ATOM 236 C ALA A 34 49.651 105.521 38.023 1.00 73.01 C ATOM 237 O ALA A 34 50.570 104.892 38.570 1.00 72.81 O ATOM 238 CB ALA A 34 47.851 103.757 38.066 1.00 76.11 C ATOM 0 H ALA A 34 46.908 105.874 37.142 1.00 86.07 H new ATOM 0 HA ALA A 34 48.189 105.223 39.426 1.00 79.45 H new ATOM 0 HB1 ALA A 34 48.496 103.137 38.442 1.00 76.11 H new ATOM 0 HB2 ALA A 34 46.967 103.547 38.405 1.00 76.11 H new ATOM 0 HB3 ALA A 34 47.853 103.679 37.099 1.00 76.11 H new ATOM 239 N TYR A 35 49.829 106.484 37.101 1.00 64.32 N ATOM 240 CA TYR A 35 51.141 106.923 36.534 1.00 61.88 C ATOM 241 C TYR A 35 51.736 108.111 37.320 1.00 55.89 C ATOM 242 O TYR A 35 52.974 108.392 37.164 1.00 44.21 O ATOM 243 CB TYR A 35 50.993 107.292 35.052 1.00 64.30 C ATOM 0 H TYR A 35 49.167 106.922 36.770 1.00 64.32 H new ATOM 0 HA TYR A 35 51.755 106.176 36.615 1.00 61.88 H new ATOM 244 N GLY A 36 50.914 108.788 38.135 1.00 52.69 N ATOM 245 CA GLY A 36 51.344 109.925 38.978 1.00 49.82 C ATOM 246 C GLY A 36 50.193 110.703 39.603 1.00 52.23 C ATOM 247 O GLY A 36 48.999 110.301 39.441 1.00 52.20 O ATOM 0 H GLY A 36 50.079 108.599 38.217 1.00 52.69 H new ATOM 0 HA2 GLY A 36 51.919 109.592 39.685 1.00 49.82 H new ATOM 0 HA3 GLY A 36 51.877 110.531 38.440 1.00 49.82 H new ATOM 248 N SER A 37 50.564 111.745 40.353 1.00 43.66 N ATOM 249 CA SER A 37 49.701 112.747 41.027 1.00 40.63 C ATOM 250 C SER A 37 49.895 114.096 40.322 1.00 32.79 C ATOM 251 O SER A 37 51.038 114.359 39.958 1.00 30.34 O ATOM 252 CB SER A 37 50.086 112.880 42.480 1.00 40.45 C ATOM 253 OG SER A 37 49.907 111.666 43.190 1.00 54.42 O ATOM 0 H SER A 37 51.397 111.904 40.498 1.00 43.66 H new ATOM 0 HA SER A 37 48.774 112.466 40.980 1.00 40.63 H new ATOM 0 HB2 SER A 37 51.013 113.157 42.544 1.00 40.45 H new ATOM 0 HB3 SER A 37 49.552 113.577 42.893 1.00 40.45 H new ATOM 0 HG SER A 37 50.131 111.775 43.992 1.00 54.42 H new ATOM 254 N VAL A 38 48.843 114.912 40.199 1.00 34.12 N ATOM 255 CA VAL A 38 48.873 116.256 39.535 1.00 34.74 C ATOM 256 C VAL A 38 48.391 117.336 40.521 1.00 36.46 C ATOM 257 O VAL A 38 47.324 117.162 41.124 1.00 35.19 O ATOM 258 CB VAL A 38 48.061 116.290 38.232 1.00 33.96 C ATOM 259 CG1 VAL A 38 48.146 117.647 37.533 1.00 35.90 C ATOM 260 CG2 VAL A 38 48.496 115.189 37.276 1.00 36.16 C ATOM 0 H VAL A 38 48.065 114.707 40.503 1.00 34.12 H new ATOM 0 HA VAL A 38 49.792 116.440 39.285 1.00 34.74 H new ATOM 0 HB VAL A 38 47.136 116.139 38.484 1.00 33.96 H new ATOM 0 HG11 VAL A 38 47.621 117.625 36.718 1.00 35.90 H new ATOM 0 HG12 VAL A 38 47.800 118.336 38.121 1.00 35.90 H new ATOM 0 HG13 VAL A 38 49.071 117.842 37.316 1.00 35.90 H new ATOM 0 HG21 VAL A 38 47.966 115.237 36.465 1.00 36.16 H new ATOM 0 HG22 VAL A 38 49.434 115.303 37.056 1.00 36.16 H new ATOM 0 HG23 VAL A 38 48.365 114.325 37.697 1.00 36.16 H new ATOM 261 N CYS A 39 49.136 118.441 40.625 1.00 30.39 N ATOM 262 CA CYS A 39 48.707 119.701 41.281 1.00 32.06 C ATOM 263 C CYS A 39 48.643 120.862 40.287 1.00 33.35 C ATOM 264 O CYS A 39 49.511 120.996 39.433 1.00 28.15 O ATOM 265 CB CYS A 39 49.681 120.102 42.367 1.00 30.82 C ATOM 266 SG CYS A 39 49.530 119.119 43.879 1.00 36.17 S ATOM 0 H CYS A 39 49.934 118.487 40.307 1.00 30.39 H new ATOM 0 HA CYS A 39 47.827 119.528 41.650 1.00 32.06 H new ATOM 0 HB2 CYS A 39 50.585 120.019 42.026 1.00 30.82 H new ATOM 0 HB3 CYS A 39 49.544 121.037 42.584 1.00 30.82 H new ATOM 0 HG CYS A 39 50.217 118.139 43.790 1.00 36.17 H new ATOM 267 N ALA A 40 47.654 121.740 40.433 1.00 29.70 N ATOM 268 CA ALA A 40 47.673 123.093 39.837 1.00 29.60 C ATOM 269 C ALA A 40 48.644 123.971 40.641 1.00 26.00 C ATOM 270 O ALA A 40 48.699 123.851 41.872 1.00 29.92 O ATOM 271 CB ALA A 40 46.272 123.689 39.887 1.00 34.68 C ATOM 0 H ALA A 40 46.941 121.573 40.884 1.00 29.70 H new ATOM 0 HA ALA A 40 47.963 123.047 38.912 1.00 29.60 H new ATOM 0 HB1 ALA A 40 46.284 124.577 39.496 1.00 34.68 H new ATOM 0 HB2 ALA A 40 45.662 123.124 39.387 1.00 34.68 H new ATOM 0 HB3 ALA A 40 45.977 123.746 40.809 1.00 34.68 H new ATOM 272 N ALA A 41 49.335 124.880 39.981 1.00 25.60 N ATOM 273 CA ALA A 41 50.222 125.861 40.621 1.00 24.25 C ATOM 274 C ALA A 41 50.255 127.159 39.807 1.00 23.37 C ATOM 275 O ALA A 41 49.968 127.176 38.596 1.00 27.55 O ATOM 276 CB ALA A 41 51.627 125.323 40.812 1.00 25.66 C ATOM 0 H ALA A 41 49.307 124.954 39.125 1.00 25.60 H new ATOM 0 HA ALA A 41 49.861 126.045 41.502 1.00 24.25 H new ATOM 0 HB1 ALA A 41 52.178 126.000 41.236 1.00 25.66 H new ATOM 0 HB2 ALA A 41 51.597 124.532 41.373 1.00 25.66 H new ATOM 0 HB3 ALA A 41 52.006 125.093 39.949 1.00 25.66 H new ATOM 277 N PHE A 42 50.737 128.202 40.439 1.00 23.46 N ATOM 278 CA PHE A 42 51.086 129.480 39.781 1.00 25.80 C ATOM 279 C PHE A 42 52.604 129.514 39.604 1.00 22.85 C ATOM 280 O PHE A 42 53.393 129.410 40.600 1.00 23.09 O ATOM 281 CB PHE A 42 50.639 130.705 40.590 1.00 28.62 C ATOM 282 CG PHE A 42 50.959 132.029 39.925 1.00 28.86 C ATOM 283 CD1 PHE A 42 50.211 132.475 38.856 1.00 39.13 C ATOM 284 CD2 PHE A 42 51.999 132.830 40.387 1.00 35.14 C ATOM 285 CE1 PHE A 42 50.484 133.697 38.248 1.00 37.65 C ATOM 286 CE2 PHE A 42 52.284 134.044 39.760 1.00 37.24 C ATOM 287 CZ PHE A 42 51.529 134.464 38.687 1.00 34.11 C ATOM 0 H PHE A 42 50.881 128.206 41.287 1.00 23.46 H new ATOM 0 HA PHE A 42 50.623 129.523 38.930 1.00 25.80 H new ATOM 0 HB2 PHE A 42 49.682 130.651 40.740 1.00 28.62 H new ATOM 0 HB3 PHE A 42 51.065 130.679 41.461 1.00 28.62 H new ATOM 0 HD1 PHE A 42 49.513 131.951 38.536 1.00 39.13 H new ATOM 0 HD2 PHE A 42 52.506 132.555 41.117 1.00 35.14 H new ATOM 0 HE1 PHE A 42 49.955 133.993 37.542 1.00 37.65 H new ATOM 0 HE2 PHE A 42 52.986 134.571 40.068 1.00 37.24 H new ATOM 0 HZ PHE A 42 51.729 135.267 38.262 1.00 34.11 H new ATOM 288 N ASP A 43 53.028 129.676 38.346 1.00 22.27 N ATOM 289 CA ASP A 43 54.466 129.784 38.009 1.00 21.84 C ATOM 290 C ASP A 43 54.902 131.255 38.021 1.00 24.19 C ATOM 291 O ASP A 43 54.622 132.004 37.065 1.00 23.66 O ATOM 292 CB ASP A 43 54.771 129.236 36.608 1.00 23.67 C ATOM 293 CG ASP A 43 56.230 129.368 36.275 1.00 25.90 C ATOM 294 OD1 ASP A 43 57.057 129.736 37.193 1.00 25.75 O ATOM 295 OD2 ASP A 43 56.578 129.027 35.165 1.00 27.24 O ATOM 0 H ASP A 43 52.502 129.727 37.668 1.00 22.27 H new ATOM 0 HA ASP A 43 54.945 129.265 38.674 1.00 21.84 H new ATOM 0 HB2 ASP A 43 54.509 128.303 36.559 1.00 23.67 H new ATOM 0 HB3 ASP A 43 54.242 129.714 35.950 1.00 23.67 H new ATOM 296 N THR A 44 55.565 131.697 39.100 1.00 26.67 N ATOM 297 CA THR A 44 55.975 133.131 39.242 1.00 30.48 C ATOM 298 C THR A 44 57.001 133.581 38.191 1.00 31.35 C ATOM 299 O THR A 44 57.085 134.828 37.937 1.00 32.37 O ATOM 300 CB THR A 44 56.402 133.394 40.702 1.00 30.55 C ATOM 301 OG1 THR A 44 57.542 132.604 40.950 1.00 33.79 O ATOM 302 CG2 THR A 44 55.287 133.095 41.668 1.00 32.47 C ATOM 0 H THR A 44 55.791 131.197 39.762 1.00 26.67 H new ATOM 0 HA THR A 44 55.209 133.695 39.052 1.00 30.48 H new ATOM 0 HB THR A 44 56.612 134.332 40.831 1.00 30.55 H new ATOM 0 HG1 THR A 44 57.317 131.797 41.007 1.00 33.79 H new ATOM 0 HG21 THR A 44 55.587 133.270 42.574 1.00 32.47 H new ATOM 0 HG22 THR A 44 54.524 133.659 41.466 1.00 32.47 H new ATOM 0 HG23 THR A 44 55.030 132.163 41.588 1.00 32.47 H new ATOM 303 N LYS A 45 57.767 132.692 37.535 1.00 25.44 N ATOM 304 CA LYS A 45 58.768 133.092 36.519 1.00 29.36 C ATOM 305 C LYS A 45 58.032 133.514 35.238 1.00 29.38 C ATOM 306 O LYS A 45 58.493 134.481 34.597 1.00 30.56 O ATOM 307 CB LYS A 45 59.808 131.990 36.275 1.00 33.50 C ATOM 308 CG LYS A 45 60.798 132.225 35.136 1.00 37.56 C ATOM 309 CD LYS A 45 61.872 131.139 34.980 1.00 41.67 C ATOM 0 H LYS A 45 57.723 131.843 37.664 1.00 25.44 H new ATOM 0 HA LYS A 45 59.276 133.851 36.846 1.00 29.36 H new ATOM 0 HB2 LYS A 45 60.312 131.862 37.094 1.00 33.50 H new ATOM 0 HB3 LYS A 45 59.336 131.161 36.100 1.00 33.50 H new ATOM 0 HG2 LYS A 45 60.304 132.295 34.304 1.00 37.56 H new ATOM 0 HG3 LYS A 45 61.237 133.078 35.277 1.00 37.56 H new ATOM 310 N THR A 46 56.969 132.805 34.838 1.00 29.48 N ATOM 311 CA THR A 46 56.312 132.998 33.516 1.00 31.81 C ATOM 312 C THR A 46 54.967 133.702 33.634 1.00 29.38 C ATOM 313 O THR A 46 54.510 134.252 32.607 1.00 28.95 O ATOM 314 CB THR A 46 56.083 131.675 32.766 1.00 31.59 C ATOM 315 OG1 THR A 46 55.169 130.880 33.523 1.00 29.27 O ATOM 316 CG2 THR A 46 57.375 130.932 32.531 1.00 34.69 C ATOM 0 H THR A 46 56.602 132.195 35.321 1.00 29.48 H new ATOM 0 HA THR A 46 56.932 133.551 33.015 1.00 31.81 H new ATOM 0 HB THR A 46 55.712 131.867 31.891 1.00 31.59 H new ATOM 0 HG1 THR A 46 54.670 130.452 33.000 1.00 29.27 H new ATOM 0 HG21 THR A 46 57.192 130.106 32.057 1.00 34.69 H new ATOM 0 HG22 THR A 46 57.973 131.482 32.001 1.00 34.69 H new ATOM 0 HG23 THR A 46 57.792 130.730 33.383 1.00 34.69 H new ATOM 317 N GLY A 47 54.341 133.698 34.796 1.00 27.60 N ATOM 318 CA GLY A 47 52.972 134.193 35.008 1.00 29.85 C ATOM 319 C GLY A 47 51.896 133.227 34.525 1.00 32.21 C ATOM 320 O GLY A 47 50.739 133.652 34.420 1.00 40.31 O ATOM 0 H GLY A 47 54.705 133.399 35.515 1.00 27.60 H new ATOM 0 HA2 GLY A 47 52.841 134.366 35.953 1.00 29.85 H new ATOM 0 HA3 GLY A 47 52.867 135.040 34.547 1.00 29.85 H new ATOM 321 N HIS A 48 52.243 131.990 34.158 1.00 33.99 N ATOM 322 CA HIS A 48 51.248 130.982 33.692 1.00 34.11 C ATOM 323 C HIS A 48 50.682 130.208 34.896 1.00 33.06 C ATOM 324 O HIS A 48 51.432 129.926 35.878 1.00 28.52 O ATOM 325 CB HIS A 48 51.888 130.010 32.694 1.00 38.86 C ATOM 326 CG HIS A 48 52.474 130.638 31.467 1.00 40.41 C ATOM 327 ND1 HIS A 48 53.724 130.263 30.967 1.00 48.37 N ATOM 328 CD2 HIS A 48 51.981 131.566 30.614 1.00 44.51 C ATOM 329 CE1 HIS A 48 53.976 130.957 29.862 1.00 45.50 C ATOM 330 NE2 HIS A 48 52.918 131.754 29.626 1.00 47.81 N ATOM 0 H HIS A 48 53.053 131.702 34.168 1.00 33.99 H new ATOM 0 HA HIS A 48 50.524 131.447 33.244 1.00 34.11 H new ATOM 0 HB2 HIS A 48 52.587 129.516 33.151 1.00 38.86 H new ATOM 0 HB3 HIS A 48 51.218 129.365 32.419 1.00 38.86 H new ATOM 0 HD2 HIS A 48 51.160 131.997 30.684 1.00 44.51 H new ATOM 0 HE1 HIS A 48 54.746 130.902 29.344 1.00 45.50 H new ATOM 0 HE2 HIS A 48 52.840 132.295 28.962 1.00 47.81 H new ATOM 331 N ARG A 49 49.419 129.772 34.817 1.00 30.16 N ATOM 332 CA ARG A 49 48.892 128.692 35.692 1.00 30.34 C ATOM 333 C ARG A 49 49.330 127.373 35.049 1.00 27.84 C ATOM 334 O ARG A 49 49.221 127.271 33.797 1.00 28.34 O ATOM 335 CB ARG A 49 47.371 128.797 35.830 1.00 38.10 C ATOM 336 CG ARG A 49 46.928 129.938 36.738 1.00 38.76 C ATOM 0 H ARG A 49 48.842 130.086 34.262 1.00 30.16 H new ATOM 0 HA ARG A 49 49.239 128.757 36.595 1.00 30.34 H new ATOM 0 HB2 ARG A 49 46.980 128.921 34.951 1.00 38.10 H new ATOM 0 HB3 ARG A 49 47.025 127.961 36.179 1.00 38.10 H new ATOM 337 N VAL A 50 49.882 126.454 35.842 1.00 25.04 N ATOM 338 CA VAL A 50 50.554 125.242 35.280 1.00 23.47 C ATOM 339 C VAL A 50 50.015 124.006 35.977 1.00 23.09 C ATOM 340 O VAL A 50 49.505 124.085 37.108 1.00 24.45 O ATOM 341 CB VAL A 50 52.084 125.334 35.457 1.00 22.10 C ATOM 342 CG1 VAL A 50 52.626 126.455 34.640 1.00 23.44 C ATOM 343 CG2 VAL A 50 52.488 125.411 36.910 1.00 24.65 C ATOM 0 H VAL A 50 49.886 126.499 36.701 1.00 25.04 H new ATOM 0 HA VAL A 50 50.367 125.186 34.330 1.00 23.47 H new ATOM 0 HB VAL A 50 52.481 124.513 35.127 1.00 22.10 H new ATOM 0 HG11 VAL A 50 53.588 126.506 34.757 1.00 23.44 H new ATOM 0 HG12 VAL A 50 52.422 126.302 33.704 1.00 23.44 H new ATOM 0 HG13 VAL A 50 52.222 127.289 34.926 1.00 23.44 H new ATOM 0 HG21 VAL A 50 53.454 125.467 36.975 1.00 24.65 H new ATOM 0 HG22 VAL A 50 52.091 126.198 37.315 1.00 24.65 H new ATOM 0 HG23 VAL A 50 52.179 124.618 37.374 1.00 24.65 H new ATOM 344 N ALA A 51 50.150 122.857 35.308 1.00 23.80 N ATOM 345 CA ALA A 51 50.019 121.532 35.932 1.00 24.86 C ATOM 346 C ALA A 51 51.405 120.976 36.257 1.00 23.18 C ATOM 347 O ALA A 51 52.268 120.995 35.333 1.00 24.83 O ATOM 348 CB ALA A 51 49.278 120.609 34.978 1.00 25.62 C ATOM 0 H ALA A 51 50.323 122.824 34.466 1.00 23.80 H new ATOM 0 HA ALA A 51 49.518 121.601 36.759 1.00 24.86 H new ATOM 0 HB1 ALA A 51 49.187 119.732 35.382 1.00 25.62 H new ATOM 0 HB2 ALA A 51 48.398 120.973 34.794 1.00 25.62 H new ATOM 0 HB3 ALA A 51 49.776 120.533 34.149 1.00 25.62 H new ATOM 349 N VAL A 52 51.609 120.579 37.502 1.00 22.90 N ATOM 350 CA VAL A 52 52.838 119.892 37.986 1.00 22.11 C ATOM 351 C VAL A 52 52.508 118.433 38.246 1.00 24.52 C ATOM 352 O VAL A 52 51.671 118.151 39.125 1.00 26.36 O ATOM 353 CB VAL A 52 53.439 120.552 39.226 1.00 21.60 C ATOM 354 CG1 VAL A 52 54.752 119.897 39.605 1.00 21.77 C ATOM 355 CG2 VAL A 52 53.579 122.044 38.987 1.00 24.34 C ATOM 0 H VAL A 52 51.026 120.698 38.123 1.00 22.90 H new ATOM 0 HA VAL A 52 53.518 119.963 37.298 1.00 22.11 H new ATOM 0 HB VAL A 52 52.844 120.427 39.982 1.00 21.60 H new ATOM 0 HG11 VAL A 52 55.115 120.331 40.393 1.00 21.77 H new ATOM 0 HG12 VAL A 52 54.602 118.957 39.794 1.00 21.77 H new ATOM 0 HG13 VAL A 52 55.380 119.983 38.871 1.00 21.77 H new ATOM 0 HG21 VAL A 52 53.961 122.464 39.774 1.00 24.34 H new ATOM 0 HG22 VAL A 52 54.160 122.197 38.226 1.00 24.34 H new ATOM 0 HG23 VAL A 52 52.706 122.427 38.808 1.00 24.34 H new ATOM 356 N LYS A 53 53.101 117.528 37.475 1.00 22.30 N ATOM 357 CA LYS A 53 52.835 116.079 37.651 1.00 24.30 C ATOM 358 C LYS A 53 54.056 115.441 38.303 1.00 24.14 C ATOM 359 O LYS A 53 55.151 115.497 37.703 1.00 24.83 O ATOM 360 CB LYS A 53 52.556 115.405 36.309 1.00 25.04 C ATOM 361 CG LYS A 53 52.248 113.910 36.458 1.00 28.45 C ATOM 362 CD LYS A 53 51.634 113.362 35.188 1.00 34.63 C ATOM 363 CE LYS A 53 52.675 113.121 34.118 1.00 37.37 C ATOM 364 NZ LYS A 53 52.053 112.569 32.875 1.00 43.62 N ATOM 0 H LYS A 53 53.657 117.717 36.847 1.00 22.30 H new ATOM 0 HA LYS A 53 52.051 115.964 38.211 1.00 24.30 H new ATOM 0 HB2 LYS A 53 51.807 115.846 35.878 1.00 25.04 H new ATOM 0 HB3 LYS A 53 53.324 115.518 35.727 1.00 25.04 H new ATOM 0 HG2 LYS A 53 53.063 113.426 36.664 1.00 28.45 H new ATOM 0 HG3 LYS A 53 51.641 113.773 37.202 1.00 28.45 H new ATOM 0 HD2 LYS A 53 51.174 112.531 35.384 1.00 34.63 H new ATOM 0 HD3 LYS A 53 50.968 113.984 34.856 1.00 34.63 H new ATOM 0 HE2 LYS A 53 53.131 113.952 33.913 1.00 37.37 H new ATOM 0 HE3 LYS A 53 53.346 112.504 34.449 1.00 37.37 H new ATOM 0 HZ1 LYS A 53 52.692 112.354 32.293 1.00 43.62 H new ATOM 0 HZ2 LYS A 53 51.580 111.843 33.077 1.00 43.62 H new ATOM 0 HZ3 LYS A 53 51.517 113.181 32.514 1.00 43.62 H new ATOM 365 N LYS A 54 53.880 114.775 39.444 1.00 22.13 N ATOM 366 CA LYS A 54 54.929 113.983 40.117 1.00 22.00 C ATOM 367 C LYS A 54 54.759 112.527 39.668 1.00 26.46 C ATOM 368 O LYS A 54 53.718 111.905 40.028 1.00 25.64 O ATOM 369 CB LYS A 54 54.816 114.046 41.650 1.00 23.46 C ATOM 370 CG LYS A 54 55.949 113.342 42.379 1.00 24.76 C ATOM 371 CD LYS A 54 55.796 113.276 43.927 1.00 26.52 C ATOM 372 CE LYS A 54 56.985 112.634 44.598 1.00 28.62 C ATOM 373 NZ LYS A 54 56.760 112.422 46.044 1.00 32.94 N ATOM 0 H LYS A 54 53.130 114.767 39.864 1.00 22.13 H new ATOM 0 HA LYS A 54 55.797 114.344 39.877 1.00 22.00 H new ATOM 0 HB2 LYS A 54 54.793 114.976 41.926 1.00 23.46 H new ATOM 0 HB3 LYS A 54 53.973 113.649 41.920 1.00 23.46 H new ATOM 0 HG2 LYS A 54 56.023 112.438 42.036 1.00 24.76 H new ATOM 0 HG3 LYS A 54 56.781 113.794 42.169 1.00 24.76 H new ATOM 0 HD2 LYS A 54 55.677 114.173 44.276 1.00 26.52 H new ATOM 0 HD3 LYS A 54 54.995 112.777 44.149 1.00 26.52 H new ATOM 0 HE2 LYS A 54 57.174 111.783 44.173 1.00 28.62 H new ATOM 0 HE3 LYS A 54 57.767 113.194 44.472 1.00 28.62 H new ATOM 0 HZ1 LYS A 54 57.428 111.941 46.381 1.00 32.94 H new ATOM 0 HZ2 LYS A 54 56.724 113.209 46.458 1.00 32.94 H new ATOM 0 HZ3 LYS A 54 55.992 111.988 46.165 1.00 32.94 H new ATOM 374 N LEU A 55 55.740 111.953 38.966 1.00 25.83 N ATOM 375 CA LEU A 55 55.560 110.546 38.515 1.00 26.27 C ATOM 376 C LEU A 55 55.505 109.608 39.732 1.00 26.43 C ATOM 377 O LEU A 55 56.228 109.797 40.673 1.00 26.72 O ATOM 378 CB LEU A 55 56.691 110.195 37.544 1.00 24.80 C ATOM 379 CG LEU A 55 56.679 110.938 36.217 1.00 27.43 C ATOM 380 CD1 LEU A 55 57.797 110.380 35.334 1.00 27.56 C ATOM 381 CD2 LEU A 55 55.360 110.893 35.512 1.00 32.36 C ATOM 0 H LEU A 55 56.482 112.327 38.745 1.00 25.83 H new ATOM 0 HA LEU A 55 54.719 110.438 38.045 1.00 26.27 H new ATOM 0 HB2 LEU A 55 57.538 110.368 37.984 1.00 24.80 H new ATOM 0 HB3 LEU A 55 56.655 109.243 37.363 1.00 24.80 H new ATOM 0 HG LEU A 55 56.831 111.878 36.404 1.00 27.43 H new ATOM 0 HD11 LEU A 55 57.801 110.846 34.483 1.00 27.56 H new ATOM 0 HD12 LEU A 55 58.652 110.507 35.775 1.00 27.56 H new ATOM 0 HD13 LEU A 55 57.649 109.433 35.183 1.00 27.56 H new ATOM 0 HD21 LEU A 55 55.422 111.384 34.677 1.00 32.36 H new ATOM 0 HD22 LEU A 55 55.123 109.971 35.328 1.00 32.36 H new ATOM 0 HD23 LEU A 55 54.679 111.296 36.073 1.00 32.36 H new ATOM 382 N SER A 56 54.697 108.543 39.686 1.00 32.06 N ATOM 383 CA SER A 56 54.749 107.507 40.763 1.00 33.20 C ATOM 384 C SER A 56 55.580 106.310 40.313 1.00 31.82 C ATOM 385 O SER A 56 55.354 105.860 39.174 1.00 34.87 O ATOM 386 CB SER A 56 53.379 107.071 41.180 1.00 41.96 C ATOM 387 OG SER A 56 52.627 106.774 40.033 1.00 47.28 O ATOM 0 H SER A 56 54.123 108.392 39.064 1.00 32.06 H new ATOM 0 HA SER A 56 55.174 107.909 41.536 1.00 33.20 H new ATOM 0 HB2 SER A 56 53.436 106.292 41.755 1.00 41.96 H new ATOM 0 HB3 SER A 56 52.946 107.771 41.693 1.00 41.96 H new ATOM 0 HG SER A 56 53.128 106.438 39.448 1.00 47.28 H new ATOM 388 N ARG A 57 56.522 105.918 41.168 1.00 36.67 N ATOM 389 CA ARG A 57 57.355 104.692 41.030 1.00 39.67 C ATOM 390 C ARG A 57 57.990 104.707 39.638 1.00 34.38 C ATOM 391 O ARG A 57 57.801 103.750 38.868 1.00 33.35 O ATOM 392 CB ARG A 57 56.458 103.462 41.238 1.00 46.72 C ATOM 0 H ARG A 57 56.710 106.368 41.876 1.00 36.67 H new ATOM 0 HA ARG A 57 58.063 104.660 41.692 1.00 39.67 H new ATOM 393 N PRO A 58 58.613 105.839 39.209 1.00 31.48 N ATOM 394 CA PRO A 58 59.097 105.939 37.823 1.00 28.26 C ATOM 395 C PRO A 58 60.126 104.870 37.417 1.00 29.25 C ATOM 396 O PRO A 58 60.269 104.626 36.244 1.00 26.29 O ATOM 397 CB PRO A 58 59.807 107.329 37.773 1.00 26.89 C ATOM 398 CG PRO A 58 60.064 107.691 39.234 1.00 30.46 C ATOM 399 CD PRO A 58 58.867 107.082 39.950 1.00 31.34 C ATOM 0 HA PRO A 58 58.350 105.819 37.216 1.00 28.26 H new ATOM 0 HB2 PRO A 58 60.636 107.283 37.271 1.00 26.89 H new ATOM 0 HB3 PRO A 58 59.249 107.993 37.339 1.00 26.89 H new ATOM 0 HG2 PRO A 58 60.901 107.321 39.554 1.00 30.46 H new ATOM 0 HG3 PRO A 58 60.110 108.651 39.364 1.00 30.46 H new ATOM 0 HD2 PRO A 58 59.062 106.907 40.884 1.00 31.34 H new ATOM 0 HD3 PRO A 58 58.099 107.674 39.927 1.00 31.34 H new ATOM 400 N PHE A 59 60.856 104.293 38.358 1.00 28.02 N ATOM 401 CA PHE A 59 61.999 103.373 38.071 1.00 27.05 C ATOM 402 C PHE A 59 61.798 102.035 38.810 1.00 32.14 C ATOM 403 O PHE A 59 62.809 101.364 39.099 1.00 31.17 O ATOM 404 CB PHE A 59 63.319 103.997 38.490 1.00 26.90 C ATOM 405 CG PHE A 59 63.553 105.337 37.827 1.00 28.82 C ATOM 406 CD1 PHE A 59 63.602 105.461 36.443 1.00 26.62 C ATOM 407 CD2 PHE A 59 63.630 106.495 38.581 1.00 28.82 C ATOM 408 CE1 PHE A 59 63.775 106.708 35.851 1.00 27.57 C ATOM 409 CE2 PHE A 59 63.798 107.732 37.992 1.00 27.07 C ATOM 410 CZ PHE A 59 63.847 107.845 36.622 1.00 27.32 C ATOM 0 H PHE A 59 60.716 104.413 39.198 1.00 28.02 H new ATOM 0 HA PHE A 59 62.025 103.213 37.115 1.00 27.05 H new ATOM 0 HB2 PHE A 59 63.331 104.108 39.454 1.00 26.90 H new ATOM 0 HB3 PHE A 59 64.046 103.395 38.265 1.00 26.90 H new ATOM 0 HD1 PHE A 59 63.518 104.704 35.909 1.00 26.62 H new ATOM 0 HD2 PHE A 59 63.567 106.438 39.507 1.00 28.82 H new ATOM 0 HE1 PHE A 59 63.843 106.774 34.926 1.00 27.57 H new ATOM 0 HE2 PHE A 59 63.878 108.491 38.523 1.00 27.07 H new ATOM 0 HZ PHE A 59 63.928 108.680 36.222 1.00 27.32 H new ATOM 411 N GLN A 60 60.550 101.598 38.935 1.00 30.78 N ATOM 412 CA GLN A 60 60.228 100.427 39.808 1.00 35.89 C ATOM 413 C GLN A 60 60.475 99.084 39.094 1.00 37.04 C ATOM 414 O GLN A 60 60.620 98.064 39.813 1.00 37.18 O ATOM 415 CB GLN A 60 58.794 100.552 40.323 1.00 38.85 C ATOM 416 CG GLN A 60 57.729 100.370 39.259 1.00 42.91 C ATOM 417 CD GLN A 60 56.346 100.233 39.848 1.00 54.87 C ATOM 418 OE1 GLN A 60 56.237 99.444 40.906 1.00 66.34 O flip ATOM 419 NE2 GLN A 60 55.386 100.819 39.354 1.00 51.64 N flip ATOM 0 H GLN A 60 59.872 101.947 38.537 1.00 30.78 H new ATOM 0 HA GLN A 60 60.830 100.434 40.568 1.00 35.89 H new ATOM 0 HB2 GLN A 60 58.654 99.893 41.021 1.00 38.85 H new ATOM 0 HB3 GLN A 60 58.683 101.425 40.730 1.00 38.85 H new ATOM 0 HG2 GLN A 60 57.747 101.128 38.654 1.00 42.91 H new ATOM 0 HG3 GLN A 60 57.933 99.582 38.732 1.00 42.91 H new ATOM 0 HE21 GLN A 60 55.497 101.323 38.666 1.00 51.64 H new ATOM 0 HE22 GLN A 60 54.603 100.725 39.696 1.00 51.64 H new ATOM 420 N SER A 61 60.492 99.057 37.760 1.00 30.64 N ATOM 421 CA SER A 61 60.690 97.879 36.872 1.00 36.49 C ATOM 422 C SER A 61 61.368 98.338 35.576 1.00 33.69 C ATOM 423 O SER A 61 61.327 99.555 35.274 1.00 30.07 O ATOM 424 CB SER A 61 59.425 97.137 36.561 1.00 36.41 C ATOM 425 OG SER A 61 58.600 97.819 35.632 1.00 38.97 O ATOM 0 H SER A 61 60.380 99.778 37.305 1.00 30.64 H new ATOM 0 HA SER A 61 61.253 97.252 37.352 1.00 36.49 H new ATOM 0 HB2 SER A 61 59.648 96.262 36.207 1.00 36.41 H new ATOM 0 HB3 SER A 61 58.929 96.993 37.382 1.00 36.41 H new ATOM 0 HG SER A 61 57.930 98.133 36.030 1.00 38.97 H new ATOM 426 N ILE A 62 61.967 97.408 34.829 1.00 36.57 N ATOM 427 CA ILE A 62 62.522 97.781 33.500 1.00 33.72 C ATOM 428 C ILE A 62 61.402 98.435 32.683 1.00 34.49 C ATOM 429 O ILE A 62 61.662 99.508 32.057 1.00 31.06 O ATOM 430 CB ILE A 62 63.144 96.569 32.765 1.00 35.85 C ATOM 431 CG1 ILE A 62 64.387 96.046 33.486 1.00 38.57 C ATOM 432 CG2 ILE A 62 63.460 96.973 31.327 1.00 38.77 C ATOM 433 CD1 ILE A 62 64.926 94.741 32.925 1.00 44.72 C ATOM 0 H ILE A 62 62.066 96.583 35.052 1.00 36.57 H new ATOM 0 HA ILE A 62 63.250 98.411 33.619 1.00 33.72 H new ATOM 0 HB ILE A 62 62.505 95.839 32.760 1.00 35.85 H new ATOM 0 HG12 ILE A 62 65.084 96.719 33.439 1.00 38.57 H new ATOM 0 HG13 ILE A 62 64.176 95.921 34.425 1.00 38.57 H new ATOM 0 HG21 ILE A 62 63.851 96.220 30.857 1.00 38.77 H new ATOM 0 HG22 ILE A 62 62.643 97.244 30.880 1.00 38.77 H new ATOM 0 HG23 ILE A 62 64.087 97.713 31.329 1.00 38.77 H new ATOM 0 HD11 ILE A 62 65.710 94.471 33.429 1.00 44.72 H new ATOM 0 HD12 ILE A 62 64.245 94.053 32.994 1.00 44.72 H new ATOM 0 HD13 ILE A 62 65.167 94.864 31.994 1.00 44.72 H new ATOM 434 N ILE A 63 60.195 97.851 32.629 1.00 31.26 N ATOM 435 CA ILE A 63 59.053 98.370 31.824 1.00 38.42 C ATOM 436 C ILE A 63 58.746 99.808 32.282 1.00 34.50 C ATOM 437 O ILE A 63 58.543 100.696 31.397 1.00 33.37 O ATOM 438 CB ILE A 63 57.818 97.432 31.931 1.00 41.29 C ATOM 439 CG1 ILE A 63 58.152 96.031 31.406 1.00 48.25 C ATOM 440 CG2 ILE A 63 56.600 98.049 31.251 1.00 46.56 C ATOM 441 CD1 ILE A 63 57.052 95.340 30.606 1.00 50.75 C ATOM 0 H ILE A 63 60.007 97.132 33.062 1.00 31.26 H new ATOM 0 HA ILE A 63 59.289 98.389 30.883 1.00 38.42 H new ATOM 0 HB ILE A 63 57.585 97.329 32.867 1.00 41.29 H new ATOM 0 HG12 ILE A 63 58.943 96.094 30.848 1.00 48.25 H new ATOM 0 HG13 ILE A 63 58.381 95.467 32.161 1.00 48.25 H new ATOM 0 HG21 ILE A 63 55.844 97.446 31.331 1.00 46.56 H new ATOM 0 HG22 ILE A 63 56.385 98.894 31.676 1.00 46.56 H new ATOM 0 HG23 ILE A 63 56.795 98.200 30.313 1.00 46.56 H new ATOM 0 HD11 ILE A 63 57.360 94.465 30.321 1.00 50.75 H new ATOM 0 HD12 ILE A 63 56.263 95.239 31.161 1.00 50.75 H new ATOM 0 HD13 ILE A 63 56.833 95.875 29.827 1.00 50.75 H new ATOM 442 N HIS A 64 58.727 100.060 33.592 1.00 34.53 N ATOM 443 CA HIS A 64 58.377 101.392 34.155 1.00 34.76 C ATOM 444 C HIS A 64 59.492 102.408 33.864 1.00 33.47 C ATOM 445 O HIS A 64 59.153 103.559 33.537 1.00 26.40 O ATOM 446 CB HIS A 64 58.049 101.306 35.651 1.00 40.78 C ATOM 447 CG HIS A 64 56.738 100.640 35.913 1.00 48.54 C ATOM 448 ND1 HIS A 64 56.645 99.316 36.336 1.00 58.21 N ATOM 449 CD2 HIS A 64 55.469 101.085 35.781 1.00 55.38 C ATOM 450 CE1 HIS A 64 55.377 98.985 36.455 1.00 57.13 C ATOM 451 NE2 HIS A 64 54.637 100.054 36.130 1.00 57.08 N ATOM 0 H HIS A 64 58.915 99.470 34.189 1.00 34.53 H new ATOM 0 HA HIS A 64 57.571 101.705 33.715 1.00 34.76 H new ATOM 0 HB2 HIS A 64 58.753 100.817 36.106 1.00 40.78 H new ATOM 0 HB3 HIS A 64 58.035 102.200 36.028 1.00 40.78 H new ATOM 0 HD2 HIS A 64 55.209 101.934 35.504 1.00 55.38 H new ATOM 0 HE1 HIS A 64 55.051 98.155 36.718 1.00 57.13 H new ATOM 0 HE2 HIS A 64 53.778 100.087 36.139 1.00 57.08 H new ATOM 452 N ALA A 65 60.758 102.027 34.005 1.00 26.97 N ATOM 453 CA ALA A 65 61.921 102.925 33.782 1.00 27.18 C ATOM 454 C ALA A 65 61.900 103.319 32.304 1.00 25.76 C ATOM 455 O ALA A 65 62.123 104.513 31.985 1.00 23.45 O ATOM 456 CB ALA A 65 63.243 102.291 34.194 1.00 25.65 C ATOM 0 H ALA A 65 60.982 101.230 34.236 1.00 26.97 H new ATOM 0 HA ALA A 65 61.847 103.712 34.345 1.00 27.18 H new ATOM 0 HB1 ALA A 65 63.967 102.915 34.029 1.00 25.65 H new ATOM 0 HB2 ALA A 65 63.216 102.070 35.138 1.00 25.65 H new ATOM 0 HB3 ALA A 65 63.389 101.483 33.678 1.00 25.65 H new ATOM 457 N LYS A 66 61.684 102.359 31.400 1.00 21.87 N ATOM 458 CA LYS A 66 61.676 102.667 29.951 1.00 22.31 C ATOM 459 C LYS A 66 60.506 103.580 29.620 1.00 23.00 C ATOM 460 O LYS A 66 60.676 104.498 28.786 1.00 22.43 O ATOM 461 CB LYS A 66 61.612 101.391 29.098 1.00 23.03 C ATOM 462 CG LYS A 66 61.841 101.567 27.602 1.00 22.16 C ATOM 463 CD LYS A 66 61.832 100.222 26.823 1.00 23.93 C ATOM 464 CE LYS A 66 61.990 100.417 25.333 1.00 26.11 C ATOM 465 NZ LYS A 66 61.671 99.157 24.598 1.00 33.04 N ATOM 0 H LYS A 66 61.541 101.533 31.594 1.00 21.87 H new ATOM 0 HA LYS A 66 62.508 103.119 29.739 1.00 22.31 H new ATOM 0 HB2 LYS A 66 62.272 100.766 29.436 1.00 23.03 H new ATOM 0 HB3 LYS A 66 60.742 100.982 29.227 1.00 23.03 H new ATOM 0 HG2 LYS A 66 61.154 102.148 27.241 1.00 22.16 H new ATOM 0 HG3 LYS A 66 62.692 102.011 27.460 1.00 22.16 H new ATOM 0 HD2 LYS A 66 62.549 99.657 27.150 1.00 23.93 H new ATOM 0 HD3 LYS A 66 61.000 99.755 26.999 1.00 23.93 H new ATOM 0 HE2 LYS A 66 61.405 101.129 25.032 1.00 26.11 H new ATOM 0 HE3 LYS A 66 62.898 100.692 25.133 1.00 26.11 H new ATOM 0 HZ1 LYS A 66 61.839 99.268 23.731 1.00 33.04 H new ATOM 0 HZ2 LYS A 66 62.173 98.493 24.914 1.00 33.04 H new ATOM 0 HZ3 LYS A 66 60.811 98.957 24.710 1.00 33.04 H new ATOM 466 N ARG A 67 59.340 103.363 30.252 1.00 24.82 N ATOM 467 CA ARG A 67 58.144 104.224 29.999 1.00 25.72 C ATOM 468 C ARG A 67 58.456 105.670 30.456 1.00 22.00 C ATOM 469 O ARG A 67 57.963 106.625 29.753 1.00 22.93 O ATOM 470 CB ARG A 67 56.907 103.687 30.722 1.00 28.16 C ATOM 471 CG ARG A 67 55.625 104.474 30.429 1.00 32.39 C ATOM 472 CD ARG A 67 54.917 104.931 31.714 1.00 40.46 C ATOM 0 H ARG A 67 59.212 102.734 30.825 1.00 24.82 H new ATOM 0 HA ARG A 67 57.948 104.217 29.049 1.00 25.72 H new ATOM 0 HB2 ARG A 67 56.772 102.760 30.469 1.00 28.16 H new ATOM 0 HB3 ARG A 67 57.072 103.699 31.678 1.00 28.16 H new ATOM 0 HG2 ARG A 67 55.840 105.249 29.887 1.00 32.39 H new ATOM 0 HG3 ARG A 67 55.021 103.922 29.908 1.00 32.39 H new ATOM 473 N THR A 68 59.089 105.861 31.604 1.00 20.86 N ATOM 474 CA THR A 68 59.520 107.190 32.112 1.00 21.61 C ATOM 475 C THR A 68 60.399 107.877 31.052 1.00 19.58 C ATOM 476 O THR A 68 60.127 109.038 30.679 1.00 19.96 O ATOM 477 CB THR A 68 60.212 107.096 33.466 1.00 22.24 C ATOM 478 OG1 THR A 68 59.241 106.517 34.349 1.00 25.68 O ATOM 479 CG2 THR A 68 60.664 108.431 33.961 1.00 23.45 C ATOM 0 H THR A 68 59.292 105.215 32.134 1.00 20.86 H new ATOM 0 HA THR A 68 58.732 107.735 32.264 1.00 21.61 H new ATOM 0 HB THR A 68 61.018 106.559 33.409 1.00 22.24 H new ATOM 0 HG1 THR A 68 59.623 105.987 34.877 1.00 25.68 H new ATOM 0 HG21 THR A 68 61.098 108.327 34.822 1.00 23.45 H new ATOM 0 HG22 THR A 68 61.290 108.816 33.328 1.00 23.45 H new ATOM 0 HG23 THR A 68 59.898 109.018 34.054 1.00 23.45 H new ATOM 480 N TYR A 69 61.397 107.148 30.537 1.00 20.60 N ATOM 481 CA TYR A 69 62.332 107.714 29.521 1.00 20.57 C ATOM 482 C TYR A 69 61.572 108.103 28.259 1.00 19.22 C ATOM 483 O TYR A 69 61.745 109.216 27.648 1.00 18.54 O ATOM 484 CB TYR A 69 63.465 106.723 29.220 1.00 18.97 C ATOM 485 CG TYR A 69 64.447 107.252 28.180 1.00 18.24 C ATOM 486 CD1 TYR A 69 65.348 108.249 28.493 1.00 19.23 C ATOM 487 CD2 TYR A 69 64.482 106.725 26.899 1.00 20.12 C ATOM 488 CE1 TYR A 69 66.241 108.750 27.538 1.00 20.67 C ATOM 489 CE2 TYR A 69 65.366 107.204 25.962 1.00 18.91 C ATOM 490 CZ TYR A 69 66.288 108.162 26.288 1.00 19.81 C ATOM 491 OH TYR A 69 67.167 108.625 25.313 1.00 22.31 O ATOM 0 H TYR A 69 61.557 106.331 30.753 1.00 20.60 H new ATOM 0 HA TYR A 69 62.737 108.519 29.880 1.00 20.57 H new ATOM 0 HB2 TYR A 69 63.943 106.525 30.040 1.00 18.97 H new ATOM 0 HB3 TYR A 69 63.085 105.888 28.905 1.00 18.97 H new ATOM 0 HD1 TYR A 69 65.362 108.595 29.356 1.00 19.23 H new ATOM 0 HD2 TYR A 69 63.899 106.037 26.670 1.00 20.12 H new ATOM 0 HE1 TYR A 69 66.795 109.469 27.742 1.00 20.67 H new ATOM 0 HE2 TYR A 69 65.337 106.872 25.094 1.00 18.91 H new ATOM 0 HH TYR A 69 67.712 109.163 25.659 1.00 22.31 H new ATOM 492 N ARG A 70 60.693 107.198 27.812 1.00 19.92 N ATOM 493 CA ARG A 70 59.862 107.416 26.591 1.00 19.94 C ATOM 494 C ARG A 70 58.996 108.689 26.714 1.00 18.72 C ATOM 495 O ARG A 70 58.964 109.512 25.781 1.00 19.33 O ATOM 496 CB ARG A 70 58.931 106.222 26.349 1.00 21.31 C ATOM 497 CG ARG A 70 57.987 106.333 25.160 1.00 22.23 C ATOM 498 CD ARG A 70 56.911 105.229 25.136 1.00 23.61 C ATOM 499 NE ARG A 70 57.589 103.952 24.902 1.00 25.73 N ATOM 500 CZ ARG A 70 57.522 102.869 25.694 1.00 28.06 C ATOM 501 NH1 ARG A 70 56.691 102.801 26.725 1.00 29.87 N ATOM 502 NH2 ARG A 70 58.287 101.819 25.433 1.00 29.14 N ATOM 0 H ARG A 70 60.554 106.442 28.198 1.00 19.92 H new ATOM 0 HA ARG A 70 60.477 107.517 25.847 1.00 19.94 H new ATOM 0 HB2 ARG A 70 59.477 105.429 26.231 1.00 21.31 H new ATOM 0 HB3 ARG A 70 58.399 106.084 27.148 1.00 21.31 H new ATOM 0 HG2 ARG A 70 57.553 107.200 25.179 1.00 22.23 H new ATOM 0 HG3 ARG A 70 58.503 106.292 24.340 1.00 22.23 H new ATOM 0 HD2 ARG A 70 56.426 105.208 25.976 1.00 23.61 H new ATOM 0 HD3 ARG A 70 56.261 105.402 24.437 1.00 23.61 H new ATOM 0 HE ARG A 70 58.073 103.890 24.194 1.00 25.73 H new ATOM 0 HH11 ARG A 70 56.173 103.464 26.904 1.00 29.87 H new ATOM 0 HH12 ARG A 70 56.670 102.094 27.215 1.00 29.87 H new ATOM 0 HH21 ARG A 70 58.822 101.834 24.760 1.00 29.14 H new ATOM 0 HH22 ARG A 70 58.248 101.123 25.937 1.00 29.14 H new ATOM 503 N GLU A 71 58.270 108.854 27.813 1.00 19.85 N ATOM 504 CA GLU A 71 57.435 110.048 28.057 1.00 20.04 C ATOM 505 C GLU A 71 58.285 111.326 28.062 1.00 19.03 C ATOM 506 O GLU A 71 57.906 112.313 27.387 1.00 20.08 O ATOM 507 CB GLU A 71 56.677 109.945 29.391 1.00 21.63 C ATOM 508 CG GLU A 71 55.748 111.109 29.609 1.00 23.39 C ATOM 509 CD GLU A 71 54.794 110.983 30.800 1.00 26.53 C ATOM 510 OE1 GLU A 71 55.098 110.202 31.699 1.00 29.80 O ATOM 511 OE2 GLU A 71 53.844 111.761 30.838 1.00 32.55 O ATOM 0 H GLU A 71 58.242 108.276 28.449 1.00 19.85 H new ATOM 0 HA GLU A 71 56.792 110.092 27.332 1.00 20.04 H new ATOM 0 HB2 GLU A 71 56.168 109.119 29.409 1.00 21.63 H new ATOM 0 HB3 GLU A 71 57.315 109.901 30.121 1.00 21.63 H new ATOM 0 HG2 GLU A 71 56.282 111.910 29.727 1.00 23.39 H new ATOM 0 HG3 GLU A 71 55.220 111.235 28.805 1.00 23.39 H new ATOM 512 N LEU A 72 59.442 111.345 28.708 1.00 18.87 N ATOM 513 CA LEU A 72 60.259 112.571 28.809 1.00 20.26 C ATOM 514 C LEU A 72 60.840 112.897 27.423 1.00 18.97 C ATOM 515 O LEU A 72 60.824 114.072 27.007 1.00 18.91 O ATOM 516 CB LEU A 72 61.352 112.423 29.869 1.00 19.92 C ATOM 517 CG LEU A 72 62.263 113.624 30.037 1.00 21.09 C ATOM 518 CD1 LEU A 72 61.506 114.927 30.338 1.00 21.67 C ATOM 519 CD2 LEU A 72 63.297 113.360 31.133 1.00 23.84 C ATOM 0 H LEU A 72 59.782 110.660 29.100 1.00 18.87 H new ATOM 0 HA LEU A 72 59.701 113.311 29.095 1.00 20.26 H new ATOM 0 HB2 LEU A 72 60.931 112.234 30.722 1.00 19.92 H new ATOM 0 HB3 LEU A 72 61.896 111.652 29.645 1.00 19.92 H new ATOM 0 HG LEU A 72 62.707 113.748 29.184 1.00 21.09 H new ATOM 0 HD11 LEU A 72 62.140 115.655 30.434 1.00 21.67 H new ATOM 0 HD12 LEU A 72 60.897 115.123 29.609 1.00 21.67 H new ATOM 0 HD13 LEU A 72 61.003 114.826 31.161 1.00 21.67 H new ATOM 0 HD21 LEU A 72 63.872 114.135 31.229 1.00 23.84 H new ATOM 0 HD22 LEU A 72 62.842 113.189 31.973 1.00 23.84 H new ATOM 0 HD23 LEU A 72 63.833 112.588 30.893 1.00 23.84 H new ATOM 520 N ARG A 73 61.321 111.876 26.695 1.00 18.68 N ATOM 521 CA ARG A 73 61.821 112.134 25.322 1.00 18.07 C ATOM 522 C ARG A 73 60.726 112.726 24.432 1.00 17.49 C ATOM 523 O ARG A 73 60.992 113.719 23.657 1.00 18.31 O ATOM 524 CB ARG A 73 62.385 110.855 24.683 1.00 17.40 C ATOM 525 CG ARG A 73 63.758 110.375 25.159 1.00 18.91 C ATOM 526 CD ARG A 73 64.949 111.251 24.718 1.00 20.38 C ATOM 527 NE ARG A 73 64.874 111.496 23.286 1.00 21.23 N ATOM 528 CZ ARG A 73 65.297 110.630 22.341 1.00 23.26 C ATOM 529 NH1 ARG A 73 65.840 109.480 22.675 1.00 21.73 N ATOM 530 NH2 ARG A 73 65.084 110.896 21.074 1.00 24.61 N ATOM 0 H ARG A 73 61.368 111.059 26.959 1.00 18.68 H new ATOM 0 HA ARG A 73 62.539 112.782 25.397 1.00 18.07 H new ATOM 0 HB2 ARG A 73 61.748 110.139 24.834 1.00 17.40 H new ATOM 0 HB3 ARG A 73 62.432 110.995 23.724 1.00 17.40 H new ATOM 0 HG2 ARG A 73 63.750 110.328 26.128 1.00 18.91 H new ATOM 0 HG3 ARG A 73 63.900 109.473 24.833 1.00 18.91 H new ATOM 0 HD2 ARG A 73 64.939 112.093 25.200 1.00 20.38 H new ATOM 0 HD3 ARG A 73 65.785 110.810 24.936 1.00 20.38 H new ATOM 0 HE ARG A 73 64.538 112.243 23.024 1.00 21.23 H new ATOM 0 HH11 ARG A 73 65.929 109.271 23.505 1.00 21.73 H new ATOM 0 HH12 ARG A 73 66.106 108.936 22.064 1.00 21.73 H new ATOM 0 HH21 ARG A 73 64.677 111.619 20.849 1.00 24.61 H new ATOM 0 HH22 ARG A 73 65.352 110.347 20.468 1.00 24.61 H new ATOM 531 N LEU A 74 59.519 112.173 24.452 1.00 17.36 N ATOM 532 CA LEU A 74 58.418 112.663 23.609 1.00 19.12 C ATOM 533 C LEU A 74 58.026 114.105 23.965 1.00 17.84 C ATOM 534 O LEU A 74 57.960 114.973 23.067 1.00 19.02 O ATOM 535 CB LEU A 74 57.268 111.676 23.780 1.00 22.27 C ATOM 536 CG LEU A 74 56.047 111.836 22.921 1.00 34.90 C ATOM 537 CD1 LEU A 74 55.358 113.170 23.131 1.00 45.24 C ATOM 538 CD2 LEU A 74 56.408 111.524 21.483 1.00 41.89 C ATOM 0 H LEU A 74 59.309 111.505 24.951 1.00 17.36 H new ATOM 0 HA LEU A 74 58.683 112.705 22.677 1.00 19.12 H new ATOM 0 HB2 LEU A 74 57.620 110.785 23.628 1.00 22.27 H new ATOM 0 HB3 LEU A 74 56.983 111.714 24.706 1.00 22.27 H new ATOM 0 HG LEU A 74 55.372 111.194 23.191 1.00 34.90 H new ATOM 0 HD11 LEU A 74 54.578 113.226 22.557 1.00 45.24 H new ATOM 0 HD12 LEU A 74 55.083 113.250 24.058 1.00 45.24 H new ATOM 0 HD13 LEU A 74 55.972 113.889 22.913 1.00 45.24 H new ATOM 0 HD21 LEU A 74 55.623 111.626 20.923 1.00 41.89 H new ATOM 0 HD22 LEU A 74 57.100 112.134 21.183 1.00 41.89 H new ATOM 0 HD23 LEU A 74 56.733 110.612 21.421 1.00 41.89 H new ATOM 539 N LEU A 75 57.819 114.400 25.258 1.00 18.13 N ATOM 540 CA LEU A 75 57.417 115.740 25.699 1.00 20.04 C ATOM 541 C LEU A 75 58.508 116.768 25.384 1.00 17.90 C ATOM 542 O LEU A 75 58.200 117.919 24.952 1.00 18.49 O ATOM 543 CB LEU A 75 57.035 115.739 27.191 1.00 20.75 C ATOM 544 CG LEU A 75 55.746 115.010 27.582 1.00 26.67 C ATOM 545 CD1 LEU A 75 55.539 115.065 29.076 1.00 27.76 C ATOM 546 CD2 LEU A 75 54.540 115.589 26.860 1.00 30.94 C ATOM 0 H LEU A 75 57.908 113.831 25.897 1.00 18.13 H new ATOM 0 HA LEU A 75 56.625 116.001 25.203 1.00 20.04 H new ATOM 0 HB2 LEU A 75 57.767 115.343 27.689 1.00 20.75 H new ATOM 0 HB3 LEU A 75 56.960 116.661 27.483 1.00 20.75 H new ATOM 0 HG LEU A 75 55.838 114.083 27.312 1.00 26.67 H new ATOM 0 HD11 LEU A 75 54.720 114.600 29.307 1.00 27.76 H new ATOM 0 HD12 LEU A 75 56.288 114.641 29.523 1.00 27.76 H new ATOM 0 HD13 LEU A 75 55.476 115.990 29.360 1.00 27.76 H new ATOM 0 HD21 LEU A 75 53.741 115.108 27.127 1.00 30.94 H new ATOM 0 HD22 LEU A 75 54.445 116.527 27.089 1.00 30.94 H new ATOM 0 HD23 LEU A 75 54.664 115.502 25.902 1.00 30.94 H new ATOM 547 N LYS A 76 59.792 116.432 25.537 1.00 17.32 N ATOM 548 CA LYS A 76 60.876 117.377 25.185 1.00 17.60 C ATOM 549 C LYS A 76 60.885 117.690 23.683 1.00 18.37 C ATOM 550 O LYS A 76 61.341 118.776 23.307 1.00 20.85 O ATOM 551 CB LYS A 76 62.253 116.851 25.624 1.00 18.23 C ATOM 552 CG LYS A 76 62.528 116.870 27.140 1.00 19.02 C ATOM 553 CD LYS A 76 63.961 116.422 27.520 1.00 19.07 C ATOM 554 CE LYS A 76 65.017 117.376 27.056 1.00 19.85 C ATOM 555 NZ LYS A 76 66.404 116.984 27.400 1.00 22.09 N ATOM 0 H LYS A 76 60.061 115.673 25.839 1.00 17.32 H new ATOM 0 HA LYS A 76 60.697 118.199 25.668 1.00 17.60 H new ATOM 0 HB2 LYS A 76 62.348 115.939 25.307 1.00 18.23 H new ATOM 0 HB3 LYS A 76 62.937 117.378 25.182 1.00 18.23 H new ATOM 0 HG2 LYS A 76 62.379 117.768 27.476 1.00 19.02 H new ATOM 0 HG3 LYS A 76 61.889 116.291 27.584 1.00 19.02 H new ATOM 0 HD2 LYS A 76 64.019 116.327 28.484 1.00 19.07 H new ATOM 0 HD3 LYS A 76 64.133 115.547 27.138 1.00 19.07 H new ATOM 0 HE2 LYS A 76 64.950 117.469 26.093 1.00 19.85 H new ATOM 0 HE3 LYS A 76 64.837 118.249 27.438 1.00 19.85 H new ATOM 0 HZ1 LYS A 76 66.975 117.566 27.043 1.00 22.09 H new ATOM 0 HZ2 LYS A 76 66.501 116.979 28.285 1.00 22.09 H new ATOM 0 HZ3 LYS A 76 66.571 116.171 27.079 1.00 22.09 H new ATOM 556 N HIS A 77 60.453 116.751 22.828 1.00 17.98 N ATOM 557 CA HIS A 77 60.493 117.008 21.365 1.00 19.25 C ATOM 558 C HIS A 77 59.379 117.897 20.826 1.00 18.98 C ATOM 559 O HIS A 77 59.605 118.620 19.836 1.00 19.83 O ATOM 560 CB HIS A 77 60.490 115.675 20.605 1.00 20.22 C ATOM 561 CG HIS A 77 61.106 115.771 19.239 1.00 22.43 C ATOM 562 ND1 HIS A 77 62.414 115.932 18.925 1.00 28.15 N flip ATOM 563 CD2 HIS A 77 60.381 115.826 18.046 1.00 21.02 C flip ATOM 564 CE1 HIS A 77 62.502 115.997 17.548 1.00 19.22 C flip ATOM 565 NE2 HIS A 77 61.283 115.958 17.041 1.00 27.62 N flip ATOM 0 H HIS A 77 60.142 115.983 23.057 1.00 17.98 H new ATOM 0 HA HIS A 77 61.314 117.503 21.219 1.00 19.25 H new ATOM 0 HB2 HIS A 77 60.971 115.012 21.125 1.00 20.22 H new ATOM 0 HB3 HIS A 77 59.577 115.360 20.520 1.00 20.22 H new ATOM 0 HD2 HIS A 77 59.456 115.781 17.958 1.00 21.02 H new ATOM 0 HE1 HIS A 77 63.290 116.058 17.058 1.00 19.22 H new ATOM 0 HE2 HIS A 77 61.091 116.008 16.204 1.00 27.62 H new ATOM 566 N AMET A 78 58.186 117.845 21.421 0.25 19.12 N ATOM 567 N BMET A 78 58.191 117.835 21.444 0.25 20.40 N ATOM 568 CA AMET A 78 56.955 118.401 20.787 0.25 20.08 C ATOM 569 CA BMET A 78 56.961 118.500 20.926 0.25 22.18 C ATOM 570 C AMET A 78 56.879 119.929 20.954 0.25 20.64 C ATOM 571 C BMET A 78 57.085 120.016 21.011 0.25 22.55 C ATOM 572 O AMET A 78 56.529 120.388 22.089 0.25 20.92 O ATOM 573 O BMET A 78 57.068 120.565 22.143 0.25 23.64 O ATOM 574 CB AMET A 78 55.718 117.719 21.379 0.25 19.60 C ATOM 575 CB BMET A 78 55.710 118.113 21.712 0.25 24.11 C ATOM 576 CG AMET A 78 55.656 116.242 21.092 0.25 21.00 C ATOM 577 CG BMET A 78 55.291 116.700 21.519 0.25 24.34 C ATOM 578 SD AMET A 78 55.184 115.809 19.397 0.25 19.66 S ATOM 579 SD BMET A 78 55.293 116.140 19.791 0.25 27.70 S ATOM 580 CE AMET A 78 56.806 115.484 18.706 0.25 18.22 C ATOM 581 CE BMET A 78 55.036 114.398 20.086 0.25 26.90 C ATOM 0 H AMET A 78 58.055 117.493 22.195 0.25 20.40 H new ATOM 0 H BMET A 78 58.067 117.406 22.179 0.25 20.40 H new ATOM 0 HA AMET A 78 56.988 118.220 19.835 0.25 22.18 H new ATOM 0 HA BMET A 78 56.874 118.204 20.006 0.25 22.18 H new ATOM 0 HB2AMET A 78 55.710 117.856 22.339 0.25 24.11 H new ATOM 0 HB2BMET A 78 55.871 118.267 22.656 0.25 24.11 H new ATOM 0 HB3AMET A 78 54.921 118.144 21.025 0.25 24.11 H new ATOM 0 HB3BMET A 78 54.981 118.696 21.450 0.25 24.11 H new ATOM 0 HG2AMET A 78 56.524 115.853 21.281 0.25 24.34 H new ATOM 0 HG2BMET A 78 55.881 116.127 22.033 0.25 24.34 H new ATOM 0 HG3AMET A 78 55.023 115.834 21.704 0.25 24.34 H new ATOM 0 HG3BMET A 78 54.399 116.587 21.882 0.25 24.34 H new ATOM 0 HE1AMET A 78 56.713 115.186 17.788 0.25 26.90 H new ATOM 0 HE1BMET A 78 54.640 113.991 19.299 0.25 26.90 H new ATOM 0 HE2AMET A 78 57.337 116.296 18.730 0.25 26.90 H new ATOM 0 HE2BMET A 78 55.887 113.973 20.275 0.25 26.90 H new ATOM 0 HE3AMET A 78 57.247 114.794 19.226 0.25 26.90 H new ATOM 0 HE3BMET A 78 54.441 114.282 20.844 0.25 26.90 H new ATOM 582 N LYS A 79 57.142 120.672 19.859 1.00 19.84 N ATOM 583 CA LYS A 79 57.159 122.150 19.776 1.00 20.35 C ATOM 584 C LYS A 79 56.274 122.622 18.619 1.00 20.48 C ATOM 585 O LYS A 79 56.789 122.928 17.514 1.00 21.66 O ATOM 586 CB LYS A 79 58.612 122.646 19.694 1.00 22.93 C ATOM 587 CG LYS A 79 59.457 122.138 20.832 1.00 25.48 C ATOM 588 CD LYS A 79 60.856 122.632 20.822 1.00 29.75 C ATOM 589 CE LYS A 79 61.539 122.342 22.133 1.00 34.74 C ATOM 590 NZ LYS A 79 62.891 122.957 22.176 1.00 36.95 N ATOM 0 H ALYS A 79 57.325 120.305 19.103 0.25 19.84 H new ATOM 0 H BLYS A 79 57.172 120.281 19.094 0.25 19.84 H new ATOM 0 HA LYS A 79 56.780 122.542 20.578 1.00 20.35 H new ATOM 0 HB2 LYS A 79 59.002 122.361 18.853 1.00 22.93 H new ATOM 0 HB3 LYS A 79 58.621 123.616 19.696 1.00 22.93 H new ATOM 0 HG2 LYS A 79 59.041 122.394 21.670 1.00 25.48 H new ATOM 0 HG3 LYS A 79 59.467 121.168 20.806 1.00 25.48 H new ATOM 0 HD2 LYS A 79 61.346 122.212 20.098 1.00 29.75 H new ATOM 0 HD3 LYS A 79 60.864 123.587 20.653 1.00 29.75 H new ATOM 0 HE2 LYS A 79 61.001 122.684 22.864 1.00 34.74 H new ATOM 0 HE3 LYS A 79 61.612 121.383 22.258 1.00 34.74 H new ATOM 0 HZ1 LYS A 79 63.321 122.679 22.904 1.00 36.95 H new ATOM 0 HZ2 LYS A 79 63.350 122.717 21.452 1.00 36.95 H new ATOM 0 HZ3 LYS A 79 62.814 123.843 22.198 1.00 36.95 H new ATOM 591 N HIS A 80 54.969 122.703 18.882 0.50 19.63 N ATOM 592 CA HIS A 80 53.918 123.055 17.895 0.50 18.66 C ATOM 593 C HIS A 80 52.716 123.682 18.613 0.50 18.85 C ATOM 594 O HIS A 80 52.354 123.193 19.707 0.50 19.90 O ATOM 595 CB HIS A 80 53.519 121.811 17.087 0.50 17.71 C ATOM 596 CG HIS A 80 52.644 122.077 15.907 0.50 17.66 C ATOM 597 ND1 HIS A 80 51.273 122.216 16.023 0.50 17.11 N ATOM 598 CD2 HIS A 80 52.930 122.180 14.586 0.50 19.48 C ATOM 599 CE1 HIS A 80 50.749 122.407 14.830 0.50 19.57 C ATOM 600 NE2 HIS A 80 51.745 122.390 13.917 0.50 17.14 N ATOM 0 H HIS A 80 54.650 122.551 19.666 0.50 19.63 H new ATOM 0 HA HIS A 80 54.263 123.712 17.270 0.50 18.66 H new ATOM 0 HB2 HIS A 80 54.326 121.369 16.781 0.50 17.71 H new ATOM 0 HB3 HIS A 80 53.063 121.191 17.678 0.50 17.71 H new ATOM 0 HD2 HIS A 80 53.774 122.120 14.201 0.50 19.48 H new ATOM 0 HE1 HIS A 80 49.846 122.532 14.647 0.50 19.57 H new ATOM 0 HE2 HIS A 80 51.655 122.492 13.068 0.50 17.14 H new ATOM 601 N GLU A 81 52.101 124.685 17.986 1.00 20.06 N ATOM 602 CA GLU A 81 50.931 125.408 18.541 1.00 21.35 C ATOM 603 C GLU A 81 49.743 124.497 18.882 1.00 20.07 C ATOM 604 O GLU A 81 48.991 124.829 19.806 1.00 21.23 O ATOM 605 CB GLU A 81 50.438 126.475 17.572 1.00 24.55 C ATOM 606 CG GLU A 81 51.385 127.633 17.328 1.00 26.52 C ATOM 607 CD GLU A 81 50.792 128.677 16.373 1.00 38.24 C ATOM 608 OE1 GLU A 81 49.776 128.391 15.582 1.00 36.02 O ATOM 609 OE2 GLU A 81 51.279 129.844 16.463 1.00 48.83 O ATOM 0 H GLU A 81 52.348 124.975 17.215 1.00 20.06 H new ATOM 0 HA GLU A 81 51.253 125.806 19.365 1.00 21.35 H new ATOM 0 HB2 GLU A 81 50.246 126.051 16.721 1.00 24.55 H new ATOM 0 HB3 GLU A 81 49.600 126.830 17.907 1.00 24.55 H new ATOM 0 HG2 GLU A 81 51.600 128.056 18.174 1.00 26.52 H new ATOM 0 HG3 GLU A 81 52.217 127.296 16.960 1.00 26.52 H new ATOM 610 N ASN A 82 49.573 123.372 18.180 1.00 18.95 N ATOM 611 CA ASN A 82 48.397 122.488 18.400 1.00 17.57 C ATOM 612 C ASN A 82 48.802 121.195 19.120 1.00 16.86 C ATOM 613 O ASN A 82 47.989 120.215 19.128 1.00 17.66 O ATOM 614 CB ASN A 82 47.636 122.191 17.099 1.00 17.93 C ATOM 615 CG ASN A 82 47.222 123.442 16.343 1.00 19.70 C ATOM 616 OD1 ASN A 82 47.707 123.695 15.212 1.00 19.78 O ATOM 617 ND2 ASN A 82 46.333 124.247 16.959 1.00 19.65 N ATOM 0 H ASN A 82 50.117 123.096 17.574 1.00 18.95 H new ATOM 0 HA ASN A 82 47.784 122.972 18.976 1.00 17.57 H new ATOM 0 HB2 ASN A 82 48.193 121.643 16.524 1.00 17.93 H new ATOM 0 HB3 ASN A 82 46.845 121.670 17.307 1.00 17.93 H new ATOM 0 HD21 ASN A 82 46.073 124.972 16.577 1.00 19.65 H new ATOM 0 HD22 ASN A 82 46.026 124.035 17.734 1.00 19.65 H new ATOM 618 N VAL A 83 49.952 121.166 19.821 1.00 18.59 N ATOM 619 CA VAL A 83 50.405 120.002 20.621 1.00 18.57 C ATOM 620 C VAL A 83 50.895 120.468 21.992 1.00 19.30 C ATOM 621 O VAL A 83 51.621 121.519 22.052 1.00 19.65 O ATOM 622 CB VAL A 83 51.515 119.198 19.897 1.00 18.38 C ATOM 623 CG1 VAL A 83 51.939 117.954 20.702 1.00 18.17 C ATOM 624 CG2 VAL A 83 51.061 118.866 18.475 1.00 17.66 C ATOM 0 H VAL A 83 50.498 121.830 19.846 1.00 18.59 H new ATOM 0 HA VAL A 83 49.646 119.409 20.735 1.00 18.57 H new ATOM 0 HB VAL A 83 52.313 119.745 19.833 1.00 18.38 H new ATOM 0 HG11 VAL A 83 52.633 117.477 20.220 1.00 18.17 H new ATOM 0 HG12 VAL A 83 52.278 118.229 21.568 1.00 18.17 H new ATOM 0 HG13 VAL A 83 51.173 117.372 20.825 1.00 18.17 H new ATOM 0 HG21 VAL A 83 51.756 118.363 18.022 1.00 17.66 H new ATOM 0 HG22 VAL A 83 50.249 118.336 18.510 1.00 17.66 H new ATOM 0 HG23 VAL A 83 50.889 119.688 17.990 1.00 17.66 H new ATOM 625 N ILE A 84 50.548 119.741 23.050 1.00 20.17 N ATOM 626 CA ILE A 84 51.091 120.055 24.412 1.00 22.97 C ATOM 627 C ILE A 84 52.613 120.100 24.378 1.00 24.35 C ATOM 628 O ILE A 84 53.197 119.213 23.799 1.00 25.44 O ATOM 629 CB ILE A 84 50.552 119.061 25.448 1.00 26.42 C ATOM 630 CG1 ILE A 84 50.856 119.539 26.871 1.00 30.67 C ATOM 631 CG2 ILE A 84 51.065 117.650 25.204 1.00 27.87 C ATOM 632 CD1 ILE A 84 50.110 120.830 27.210 1.00 40.39 C ATOM 0 H ILE A 84 50.011 119.070 23.022 1.00 20.17 H new ATOM 0 HA ILE A 84 50.787 120.935 24.683 1.00 22.97 H new ATOM 0 HB ILE A 84 49.588 119.026 25.347 1.00 26.42 H new ATOM 0 HG12 ILE A 84 50.608 118.847 27.504 1.00 30.67 H new ATOM 0 HG13 ILE A 84 51.811 119.683 26.967 1.00 30.67 H new ATOM 0 HG21 ILE A 84 50.703 117.053 25.877 1.00 27.87 H new ATOM 0 HG22 ILE A 84 50.786 117.352 24.324 1.00 27.87 H new ATOM 0 HG23 ILE A 84 52.034 117.644 25.254 1.00 27.87 H new ATOM 0 HD11 ILE A 84 50.327 121.101 28.116 1.00 40.39 H new ATOM 0 HD12 ILE A 84 50.375 121.529 26.592 1.00 40.39 H new ATOM 0 HD13 ILE A 84 49.154 120.680 27.138 1.00 40.39 H new ATOM 633 N GLY A 85 53.216 121.106 25.021 1.00 24.44 N ATOM 634 CA GLY A 85 54.679 121.242 25.134 1.00 26.89 C ATOM 635 C GLY A 85 55.134 121.125 26.582 1.00 25.56 C ATOM 636 O GLY A 85 54.264 121.179 27.473 1.00 25.16 O ATOM 0 H GLY A 85 52.782 121.739 25.410 1.00 24.44 H new ATOM 0 HA2 GLY A 85 55.112 120.557 24.600 1.00 26.89 H new ATOM 0 HA3 GLY A 85 54.955 122.099 24.774 1.00 26.89 H new ATOM 637 N LEU A 86 56.431 120.947 26.797 1.00 21.61 N ATOM 638 CA LEU A 86 56.992 120.807 28.167 1.00 20.20 C ATOM 639 C LEU A 86 57.528 122.179 28.613 1.00 19.69 C ATOM 640 O LEU A 86 58.420 122.725 27.942 1.00 21.74 O ATOM 641 CB LEU A 86 58.077 119.753 28.146 1.00 21.70 C ATOM 642 CG LEU A 86 58.637 119.341 29.501 1.00 23.26 C ATOM 643 CD1 LEU A 86 57.550 118.731 30.363 1.00 22.41 C ATOM 644 CD2 LEU A 86 59.779 118.365 29.314 1.00 24.78 C ATOM 0 H LEU A 86 57.017 120.902 26.170 1.00 21.61 H new ATOM 0 HA LEU A 86 56.315 120.523 28.801 1.00 20.20 H new ATOM 0 HB2 LEU A 86 57.726 118.962 27.707 1.00 21.70 H new ATOM 0 HB3 LEU A 86 58.809 120.079 27.599 1.00 21.70 H new ATOM 0 HG LEU A 86 58.973 120.131 29.953 1.00 23.26 H new ATOM 0 HD11 LEU A 86 57.923 118.475 31.221 1.00 22.41 H new ATOM 0 HD12 LEU A 86 56.842 119.380 30.500 1.00 22.41 H new ATOM 0 HD13 LEU A 86 57.188 117.947 29.921 1.00 22.41 H new ATOM 0 HD21 LEU A 86 60.130 118.108 30.181 1.00 24.78 H new ATOM 0 HD22 LEU A 86 59.458 117.577 28.848 1.00 24.78 H new ATOM 0 HD23 LEU A 86 60.481 118.784 28.793 1.00 24.78 H new ATOM 645 N LEU A 87 56.895 122.747 29.632 1.00 20.53 N ATOM 646 CA LEU A 87 57.385 124.039 30.198 1.00 20.03 C ATOM 647 C LEU A 87 58.627 123.830 31.068 1.00 18.81 C ATOM 648 O LEU A 87 59.471 124.744 31.103 1.00 20.59 O ATOM 649 CB LEU A 87 56.273 124.688 31.001 1.00 22.23 C ATOM 650 CG LEU A 87 55.060 125.127 30.200 1.00 30.73 C ATOM 651 CD1 LEU A 87 53.998 125.692 31.147 1.00 30.20 C ATOM 652 CD2 LEU A 87 55.436 126.143 29.134 1.00 33.41 C ATOM 0 H LEU A 87 56.196 122.424 30.014 1.00 20.53 H new ATOM 0 HA LEU A 87 57.639 124.623 29.467 1.00 20.03 H new ATOM 0 HB2 LEU A 87 55.982 124.064 31.684 1.00 22.23 H new ATOM 0 HB3 LEU A 87 56.636 125.462 31.460 1.00 22.23 H new ATOM 0 HG LEU A 87 54.696 124.354 29.741 1.00 30.73 H new ATOM 0 HD11 LEU A 87 53.223 125.972 30.635 1.00 30.20 H new ATOM 0 HD12 LEU A 87 53.735 125.008 31.783 1.00 30.20 H new ATOM 0 HD13 LEU A 87 54.362 126.454 31.624 1.00 30.20 H new ATOM 0 HD21 LEU A 87 54.642 126.403 28.641 1.00 33.41 H new ATOM 0 HD22 LEU A 87 55.825 126.925 29.555 1.00 33.41 H new ATOM 0 HD23 LEU A 87 56.080 125.750 28.525 1.00 33.41 H new ATOM 653 N ASP A 88 58.705 122.737 31.816 1.00 16.97 N ATOM 654 CA ASP A 88 59.841 122.465 32.724 1.00 19.30 C ATOM 655 C ASP A 88 59.849 120.993 33.120 1.00 19.33 C ATOM 656 O ASP A 88 58.793 120.308 33.067 1.00 17.64 O ATOM 657 CB ASP A 88 59.711 123.347 33.990 1.00 19.75 C ATOM 658 CG ASP A 88 60.987 123.481 34.820 1.00 23.65 C ATOM 659 OD1 ASP A 88 62.131 123.163 34.307 1.00 19.72 O ATOM 660 OD2 ASP A 88 60.879 123.856 36.048 1.00 22.57 O ATOM 0 H ASP A 88 58.103 122.123 31.819 1.00 16.97 H new ATOM 0 HA ASP A 88 60.672 122.673 32.269 1.00 19.30 H new ATOM 0 HB2 ASP A 88 59.422 124.233 33.722 1.00 19.75 H new ATOM 0 HB3 ASP A 88 59.012 122.979 34.553 1.00 19.75 H new ATOM 661 N VAL A 89 61.020 120.519 33.548 1.00 17.64 N ATOM 662 CA VAL A 89 61.179 119.168 34.154 1.00 18.27 C ATOM 663 C VAL A 89 62.246 119.351 35.214 1.00 18.26 C ATOM 664 O VAL A 89 63.257 120.039 34.973 1.00 20.38 O ATOM 665 CB VAL A 89 61.531 118.034 33.139 1.00 18.64 C ATOM 666 CG1 VAL A 89 62.722 118.433 32.305 1.00 21.52 C ATOM 667 CG2 VAL A 89 61.770 116.710 33.837 1.00 20.83 C ATOM 0 H VAL A 89 61.754 120.965 33.500 1.00 17.64 H new ATOM 0 HA VAL A 89 60.336 118.858 34.520 1.00 18.27 H new ATOM 0 HB VAL A 89 60.769 117.911 32.551 1.00 18.64 H new ATOM 0 HG11 VAL A 89 62.932 117.722 31.679 1.00 21.52 H new ATOM 0 HG12 VAL A 89 62.517 119.245 31.815 1.00 21.52 H new ATOM 0 HG13 VAL A 89 63.485 118.589 32.884 1.00 21.52 H new ATOM 0 HG21 VAL A 89 61.985 116.031 33.179 1.00 20.83 H new ATOM 0 HG22 VAL A 89 62.508 116.801 34.460 1.00 20.83 H new ATOM 0 HG23 VAL A 89 60.970 116.449 34.320 1.00 20.83 H new ATOM 668 N PHE A 90 62.001 118.801 36.394 1.00 18.50 N ATOM 669 CA PHE A 90 62.955 118.928 37.527 1.00 19.07 C ATOM 670 C PHE A 90 62.964 117.711 38.437 1.00 20.43 C ATOM 671 O PHE A 90 62.043 116.850 38.468 1.00 21.12 O ATOM 672 CB PHE A 90 62.690 120.234 38.318 1.00 20.29 C ATOM 673 CG PHE A 90 61.359 120.314 39.015 1.00 18.22 C ATOM 674 CD1 PHE A 90 61.136 119.677 40.232 1.00 20.37 C ATOM 675 CD2 PHE A 90 60.296 121.033 38.477 1.00 19.23 C ATOM 676 CE1 PHE A 90 59.919 119.757 40.884 1.00 19.03 C ATOM 677 CE2 PHE A 90 59.066 121.095 39.128 1.00 19.20 C ATOM 678 CZ PHE A 90 58.878 120.436 40.324 1.00 19.97 C ATOM 0 H PHE A 90 61.293 118.347 36.575 1.00 18.50 H new ATOM 0 HA PHE A 90 63.845 118.976 37.144 1.00 19.07 H new ATOM 0 HB2 PHE A 90 63.391 120.340 38.980 1.00 20.29 H new ATOM 0 HB3 PHE A 90 62.762 120.984 37.707 1.00 20.29 H new ATOM 0 HD1 PHE A 90 61.824 119.184 40.617 1.00 20.37 H new ATOM 0 HD2 PHE A 90 60.409 121.480 37.669 1.00 19.23 H new ATOM 0 HE1 PHE A 90 59.810 119.345 41.710 1.00 19.03 H new ATOM 0 HE2 PHE A 90 58.368 121.583 38.754 1.00 19.20 H new ATOM 0 HZ PHE A 90 58.049 120.454 40.745 1.00 19.97 H new ATOM 679 N THR A 91 64.051 117.641 39.209 1.00 21.09 N ATOM 680 CA THR A 91 64.248 116.652 40.293 1.00 21.86 C ATOM 681 C THR A 91 64.926 117.363 41.464 1.00 20.71 C ATOM 682 O THR A 91 65.760 118.196 41.240 1.00 22.04 O ATOM 683 CB THR A 91 65.146 115.467 39.875 1.00 22.75 C ATOM 684 OG1 THR A 91 65.234 114.580 41.004 1.00 24.04 O ATOM 685 CG2 THR A 91 66.555 115.793 39.442 1.00 24.38 C ATOM 0 H THR A 91 64.716 118.179 39.120 1.00 21.09 H new ATOM 0 HA THR A 91 63.376 116.294 40.524 1.00 21.86 H new ATOM 0 HB THR A 91 64.723 115.091 39.087 1.00 22.75 H new ATOM 0 HG1 THR A 91 64.597 114.033 40.981 1.00 24.04 H new ATOM 0 HG21 THR A 91 67.019 114.974 39.205 1.00 24.38 H new ATOM 0 HG22 THR A 91 66.529 116.383 38.673 1.00 24.38 H new ATOM 0 HG23 THR A 91 67.024 116.231 40.169 1.00 24.38 H new ATOM 686 N PRO A 92 64.537 117.101 42.708 1.00 23.36 N ATOM 687 CA PRO A 92 65.310 117.681 43.817 1.00 26.21 C ATOM 688 C PRO A 92 66.686 117.036 44.030 1.00 29.62 C ATOM 689 O PRO A 92 67.508 117.594 44.800 1.00 28.37 O ATOM 690 CB PRO A 92 64.437 117.456 45.032 1.00 26.61 C ATOM 691 CG PRO A 92 63.383 116.444 44.630 1.00 28.12 C ATOM 692 CD PRO A 92 63.338 116.365 43.108 1.00 24.47 C ATOM 0 HA PRO A 92 65.509 118.613 43.635 1.00 26.21 H new ATOM 0 HB2 PRO A 92 64.963 117.128 45.778 1.00 26.61 H new ATOM 0 HB3 PRO A 92 64.026 118.286 45.319 1.00 26.61 H new ATOM 0 HG2 PRO A 92 63.591 115.574 45.006 1.00 28.12 H new ATOM 0 HG3 PRO A 92 62.516 116.704 44.979 1.00 28.12 H new ATOM 0 HD2 PRO A 92 63.358 115.447 42.795 1.00 24.47 H new ATOM 0 HD3 PRO A 92 62.532 116.769 42.751 1.00 24.47 H new ATOM 693 N ALA A 93 66.949 115.882 43.395 1.00 27.15 N ATOM 694 CA ALA A 93 68.269 115.220 43.559 1.00 28.81 C ATOM 695 C ALA A 93 69.415 116.118 43.105 1.00 27.16 C ATOM 696 O ALA A 93 69.347 116.835 42.060 1.00 27.96 O ATOM 697 CB ALA A 93 68.317 113.903 42.813 1.00 27.63 C ATOM 0 H ALA A 93 66.398 115.472 42.878 1.00 27.15 H new ATOM 0 HA ALA A 93 68.380 115.047 44.507 1.00 28.81 H new ATOM 0 HB1 ALA A 93 69.187 113.493 42.936 1.00 27.63 H new ATOM 0 HB2 ALA A 93 67.629 113.311 43.156 1.00 27.63 H new ATOM 0 HB3 ALA A 93 68.165 114.060 41.868 1.00 27.63 H new ATOM 698 N ARG A 94 70.546 116.051 43.827 1.00 31.69 N ATOM 699 CA ARG A 94 71.763 116.842 43.469 1.00 32.35 C ATOM 700 C ARG A 94 72.784 115.966 42.714 1.00 34.10 C ATOM 701 O ARG A 94 73.750 116.511 42.246 1.00 37.32 O ATOM 702 CB ARG A 94 72.399 117.479 44.709 1.00 40.26 C ATOM 703 CG ARG A 94 71.396 118.126 45.663 1.00 42.66 C ATOM 704 CD ARG A 94 71.990 118.446 47.030 1.00 48.54 C ATOM 705 NE ARG A 94 72.221 119.883 47.092 1.00 57.50 N ATOM 706 CZ ARG A 94 71.472 120.749 47.763 1.00 61.00 C ATOM 707 NH1 ARG A 94 70.447 120.328 48.483 1.00 62.29 N ATOM 708 NH2 ARG A 94 71.765 122.037 47.722 1.00 60.46 N ATOM 0 H ARG A 94 70.638 115.559 44.526 1.00 31.69 H new ATOM 0 HA ARG A 94 71.486 117.560 42.879 1.00 32.35 H new ATOM 0 HB2 ARG A 94 72.896 116.800 45.190 1.00 40.26 H new ATOM 0 HB3 ARG A 94 73.039 118.150 44.424 1.00 40.26 H new ATOM 0 HG2 ARG A 94 71.059 118.943 45.264 1.00 42.66 H new ATOM 0 HG3 ARG A 94 70.637 117.532 45.777 1.00 42.66 H new ATOM 0 HD2 ARG A 94 71.386 118.168 47.736 1.00 48.54 H new ATOM 0 HD3 ARG A 94 72.821 117.963 47.161 1.00 48.54 H new ATOM 0 HE ARG A 94 72.896 120.195 46.660 1.00 57.50 H new ATOM 0 HH11 ARG A 94 70.262 119.489 48.519 1.00 62.29 H new ATOM 0 HH12 ARG A 94 69.965 120.893 48.916 1.00 62.29 H new ATOM 0 HH21 ARG A 94 72.438 122.310 47.262 1.00 60.46 H new ATOM 0 HH22 ARG A 94 71.282 122.602 48.155 1.00 60.46 H new ATOM 709 N SER A 95 72.517 114.673 42.519 1.00 33.81 N ATOM 710 CA SER A 95 73.424 113.711 41.821 1.00 32.76 C ATOM 711 C SER A 95 72.613 112.535 41.265 1.00 28.94 C ATOM 712 O SER A 95 71.554 112.241 41.816 1.00 28.98 O ATOM 713 CB SER A 95 74.488 113.174 42.784 1.00 32.05 C ATOM 714 OG SER A 95 73.901 112.292 43.731 1.00 33.55 O ATOM 0 H SER A 95 71.787 114.308 42.791 1.00 33.81 H new ATOM 0 HA SER A 95 73.862 114.181 41.094 1.00 32.76 H new ATOM 0 HB2 SER A 95 75.178 112.709 42.286 1.00 32.05 H new ATOM 0 HB3 SER A 95 74.918 113.912 43.244 1.00 32.05 H new ATOM 0 HG SER A 95 74.494 112.004 44.251 1.00 33.55 H new ATOM 715 N LEU A 96 73.150 111.795 40.279 1.00 29.52 N ATOM 716 CA LEU A 96 72.557 110.508 39.846 1.00 29.88 C ATOM 717 C LEU A 96 72.353 109.547 41.013 1.00 31.56 C ATOM 718 O LEU A 96 71.344 108.855 41.085 1.00 31.19 O ATOM 719 CB LEU A 96 73.488 109.910 38.778 1.00 30.15 C ATOM 720 CG LEU A 96 73.065 108.562 38.217 1.00 31.45 C ATOM 721 CD1 LEU A 96 71.631 108.593 37.646 1.00 31.58 C ATOM 722 CD2 LEU A 96 74.068 108.114 37.153 1.00 34.51 C ATOM 0 H LEU A 96 73.859 112.019 39.846 1.00 29.52 H new ATOM 0 HA LEU A 96 71.673 110.660 39.478 1.00 29.88 H new ATOM 0 HB2 LEU A 96 73.558 110.540 38.044 1.00 30.15 H new ATOM 0 HB3 LEU A 96 74.375 109.819 39.160 1.00 30.15 H new ATOM 0 HG LEU A 96 73.060 107.921 38.945 1.00 31.45 H new ATOM 0 HD11 LEU A 96 71.401 107.717 37.300 1.00 31.58 H new ATOM 0 HD12 LEU A 96 71.008 108.836 38.349 1.00 31.58 H new ATOM 0 HD13 LEU A 96 71.581 109.246 36.931 1.00 31.58 H new ATOM 0 HD21 LEU A 96 73.798 107.254 36.795 1.00 34.51 H new ATOM 0 HD22 LEU A 96 74.094 108.768 36.437 1.00 34.51 H new ATOM 0 HD23 LEU A 96 74.949 108.036 37.551 1.00 34.51 H new ATOM 723 N GLU A 97 73.278 109.524 41.974 1.00 38.14 N ATOM 724 CA GLU A 97 73.250 108.524 43.071 1.00 39.57 C ATOM 725 C GLU A 97 72.029 108.758 43.980 1.00 37.36 C ATOM 726 O GLU A 97 71.449 107.760 44.447 1.00 41.34 O ATOM 727 CB GLU A 97 74.586 108.566 43.820 1.00 47.84 C ATOM 728 CG GLU A 97 75.793 108.114 42.973 1.00 53.07 C ATOM 729 CD GLU A 97 76.212 108.906 41.723 1.00 60.48 C ATOM 730 OE1 GLU A 97 76.225 110.179 41.758 1.00 46.52 O ATOM 731 OE2 GLU A 97 76.558 108.238 40.687 1.00 59.14 O ATOM 0 H GLU A 97 73.936 110.076 42.017 1.00 38.14 H new ATOM 0 HA GLU A 97 73.147 107.628 42.714 1.00 39.57 H new ATOM 0 HB2 GLU A 97 74.743 109.471 44.133 1.00 47.84 H new ATOM 0 HB3 GLU A 97 74.524 108.001 44.606 1.00 47.84 H new ATOM 0 HG2 GLU A 97 76.562 108.084 43.564 1.00 53.07 H new ATOM 0 HG3 GLU A 97 75.618 107.203 42.689 1.00 53.07 H new ATOM 732 N GLU A 98 71.567 109.994 44.166 1.00 35.04 N ATOM 733 CA GLU A 98 70.340 110.223 44.998 1.00 40.67 C ATOM 734 C GLU A 98 69.083 110.462 44.140 1.00 36.23 C ATOM 735 O GLU A 98 68.018 110.769 44.712 1.00 37.25 O ATOM 736 CB GLU A 98 70.559 111.350 46.007 1.00 46.24 C ATOM 737 CG GLU A 98 70.878 112.692 45.416 1.00 49.21 C ATOM 738 CD GLU A 98 71.087 113.754 46.490 1.00 57.88 C ATOM 739 OE1 GLU A 98 71.831 113.471 47.463 1.00 61.66 O ATOM 740 OE2 GLU A 98 70.493 114.858 46.368 1.00 42.36 O ATOM 0 H GLU A 98 71.924 110.705 43.838 1.00 35.04 H new ATOM 0 HA GLU A 98 70.180 109.406 45.496 1.00 40.67 H new ATOM 0 HB2 GLU A 98 69.761 111.435 46.552 1.00 46.24 H new ATOM 0 HB3 GLU A 98 71.282 111.095 46.601 1.00 46.24 H new ATOM 0 HG2 GLU A 98 71.677 112.623 44.871 1.00 49.21 H new ATOM 0 HG3 GLU A 98 70.157 112.965 44.828 1.00 49.21 H new ATOM 741 N PHE A 99 69.149 110.251 42.822 1.00 31.24 N ATOM 742 CA PHE A 99 67.998 110.487 41.895 1.00 28.31 C ATOM 743 C PHE A 99 66.902 109.427 42.048 1.00 32.06 C ATOM 744 O PHE A 99 67.121 108.231 41.748 1.00 35.71 O ATOM 745 CB PHE A 99 68.525 110.540 40.463 1.00 27.18 C ATOM 746 CG PHE A 99 67.491 110.741 39.368 1.00 26.09 C ATOM 747 CD1 PHE A 99 66.560 111.777 39.395 1.00 25.82 C ATOM 748 CD2 PHE A 99 67.502 109.922 38.251 1.00 25.79 C ATOM 749 CE1 PHE A 99 65.635 111.928 38.374 1.00 26.35 C ATOM 750 CE2 PHE A 99 66.658 110.150 37.174 1.00 25.86 C ATOM 751 CZ PHE A 99 65.706 111.135 37.236 1.00 28.03 C ATOM 0 H PHE A 99 69.858 109.967 42.427 1.00 31.24 H new ATOM 0 HA PHE A 99 67.583 111.334 42.122 1.00 28.31 H new ATOM 0 HB2 PHE A 99 69.173 111.259 40.404 1.00 27.18 H new ATOM 0 HB3 PHE A 99 69.001 109.714 40.284 1.00 27.18 H new ATOM 0 HD1 PHE A 99 66.559 112.375 40.107 1.00 25.82 H new ATOM 0 HD2 PHE A 99 68.090 109.202 38.222 1.00 25.79 H new ATOM 0 HE1 PHE A 99 64.962 112.565 38.451 1.00 26.35 H new ATOM 0 HE2 PHE A 99 66.738 109.632 36.406 1.00 25.86 H new ATOM 0 HZ PHE A 99 65.118 111.270 36.528 1.00 28.03 H new ATOM 752 N ASN A 100 65.692 109.839 42.428 1.00 28.80 N ATOM 753 CA ASN A 100 64.513 108.931 42.537 1.00 30.47 C ATOM 754 C ASN A 100 63.247 109.549 41.929 1.00 30.07 C ATOM 755 O ASN A 100 62.365 108.805 41.519 1.00 35.68 O ATOM 756 CB ASN A 100 64.201 108.604 44.004 1.00 36.42 C ATOM 757 CG ASN A 100 65.251 107.731 44.658 1.00 44.47 C ATOM 758 OD1 ASN A 100 65.321 106.538 44.376 1.00 57.43 O ATOM 759 ND2 ASN A 100 66.073 108.309 45.523 1.00 49.54 N ATOM 0 H ASN A 100 65.518 110.656 42.634 1.00 28.80 H new ATOM 0 HA ASN A 100 64.753 108.128 42.048 1.00 30.47 H new ATOM 0 HB2 ASN A 100 64.120 109.432 44.503 1.00 36.42 H new ATOM 0 HB3 ASN A 100 63.341 108.158 44.054 1.00 36.42 H new ATOM 0 HD21 ASN A 100 66.685 107.845 45.911 1.00 49.54 H new ATOM 0 HD22 ASN A 100 65.994 109.148 45.696 1.00 49.54 H new ATOM 760 N ASP A 101 63.100 110.869 41.932 1.00 27.23 N ATOM 761 CA ASP A 101 61.792 111.497 41.630 1.00 28.70 C ATOM 762 C ASP A 101 61.885 112.396 40.399 1.00 23.95 C ATOM 763 O ASP A 101 62.893 113.081 40.219 1.00 25.07 O ATOM 764 CB ASP A 101 61.275 112.302 42.833 1.00 28.58 C ATOM 765 CG ASP A 101 60.699 111.464 43.959 1.00 34.62 C ATOM 766 OD1 ASP A 101 60.116 110.399 43.682 1.00 44.64 O ATOM 767 OD2 ASP A 101 60.791 111.921 45.106 1.00 34.57 O ATOM 0 H ASP A 101 63.733 111.425 42.104 1.00 27.23 H new ATOM 0 HA ASP A 101 61.163 110.783 41.443 1.00 28.70 H new ATOM 0 HB2 ASP A 101 62.003 112.837 43.185 1.00 28.58 H new ATOM 0 HB3 ASP A 101 60.593 112.919 42.524 1.00 28.58 H new ATOM 768 N VAL A 102 60.854 112.362 39.558 1.00 22.70 N ATOM 769 CA VAL A 102 60.727 113.198 38.313 1.00 23.89 C ATOM 770 C VAL A 102 59.428 114.004 38.352 1.00 20.63 C ATOM 771 O VAL A 102 58.336 113.401 38.576 1.00 21.69 O ATOM 772 CB VAL A 102 60.712 112.312 37.054 1.00 23.87 C ATOM 773 CG1 VAL A 102 60.499 113.113 35.789 1.00 25.60 C ATOM 774 CG2 VAL A 102 61.984 111.447 36.988 1.00 27.10 C ATOM 0 H VAL A 102 60.179 111.844 39.681 1.00 22.70 H new ATOM 0 HA VAL A 102 61.492 113.794 38.278 1.00 23.89 H new ATOM 0 HB VAL A 102 59.950 111.716 37.122 1.00 23.87 H new ATOM 0 HG11 VAL A 102 60.497 112.516 35.024 1.00 25.60 H new ATOM 0 HG12 VAL A 102 59.649 113.577 35.839 1.00 25.60 H new ATOM 0 HG13 VAL A 102 61.215 113.760 35.691 1.00 25.60 H new ATOM 0 HG21 VAL A 102 61.959 110.895 36.190 1.00 27.10 H new ATOM 0 HG22 VAL A 102 62.765 112.021 36.959 1.00 27.10 H new ATOM 0 HG23 VAL A 102 62.030 110.878 37.773 1.00 27.10 H new ATOM 775 N TYR A 103 59.510 115.316 38.105 1.00 18.91 N ATOM 776 CA TYR A 103 58.313 116.187 37.997 1.00 18.75 C ATOM 777 C TYR A 103 58.238 116.832 36.629 1.00 18.30 C ATOM 778 O TYR A 103 59.255 117.398 36.174 1.00 18.97 O ATOM 779 CB TYR A 103 58.329 117.277 39.091 1.00 20.28 C ATOM 780 CG TYR A 103 58.330 116.854 40.543 1.00 20.86 C ATOM 781 CD1 TYR A 103 59.471 116.361 41.169 1.00 19.97 C ATOM 782 CD2 TYR A 103 57.195 117.059 41.331 1.00 21.60 C ATOM 783 CE1 TYR A 103 59.482 116.009 42.514 1.00 21.44 C ATOM 784 CE2 TYR A 103 57.185 116.689 42.678 1.00 22.51 C ATOM 785 CZ TYR A 103 58.341 116.235 43.277 1.00 21.75 C ATOM 786 OH TYR A 103 58.373 115.922 44.633 1.00 25.42 O ATOM 0 H TYR A 103 60.255 115.732 37.995 1.00 18.91 H new ATOM 0 HA TYR A 103 57.529 115.630 38.122 1.00 18.75 H new ATOM 0 HB2 TYR A 103 59.114 117.828 38.945 1.00 20.28 H new ATOM 0 HB3 TYR A 103 57.555 117.844 38.951 1.00 20.28 H new ATOM 0 HD1 TYR A 103 60.251 116.264 40.672 1.00 19.97 H new ATOM 0 HD2 TYR A 103 56.438 117.446 40.955 1.00 21.60 H new ATOM 0 HE1 TYR A 103 60.239 115.629 42.897 1.00 21.44 H new ATOM 0 HE2 TYR A 103 56.399 116.749 43.171 1.00 22.51 H new ATOM 0 HH TYR A 103 59.146 115.669 44.844 1.00 25.42 H new ATOM 787 N LEU A 104 57.046 116.812 35.996 1.00 17.88 N ATOM 788 CA LEU A 104 56.834 117.404 34.654 1.00 19.19 C ATOM 789 C LEU A 104 55.879 118.588 34.767 1.00 19.26 C ATOM 790 O LEU A 104 54.839 118.408 35.437 1.00 22.38 O ATOM 791 CB LEU A 104 56.205 116.326 33.751 1.00 20.29 C ATOM 792 CG LEU A 104 57.032 115.062 33.533 1.00 19.85 C ATOM 793 CD1 LEU A 104 56.176 114.005 32.774 1.00 22.16 C ATOM 794 CD2 LEU A 104 58.288 115.327 32.759 1.00 22.06 C ATOM 0 H LEU A 104 56.340 116.455 36.333 1.00 17.88 H new ATOM 0 HA LEU A 104 57.676 117.709 34.282 1.00 19.19 H new ATOM 0 HB2 LEU A 104 55.351 116.069 34.133 1.00 20.29 H new ATOM 0 HB3 LEU A 104 56.021 116.723 32.885 1.00 20.29 H new ATOM 0 HG LEU A 104 57.290 114.730 34.407 1.00 19.85 H new ATOM 0 HD11 LEU A 104 56.702 113.202 32.635 1.00 22.16 H new ATOM 0 HD12 LEU A 104 55.389 113.789 33.298 1.00 22.16 H new ATOM 0 HD13 LEU A 104 55.904 114.365 31.915 1.00 22.16 H new ATOM 0 HD21 LEU A 104 58.779 114.498 32.645 1.00 22.06 H new ATOM 0 HD22 LEU A 104 58.061 115.690 31.889 1.00 22.06 H new ATOM 0 HD23 LEU A 104 58.837 115.964 33.242 1.00 22.06 H new ATOM 795 N VAL A 105 56.159 119.703 34.089 1.00 18.85 N ATOM 796 CA VAL A 105 55.337 120.935 34.178 1.00 19.57 C ATOM 797 C VAL A 105 54.820 121.284 32.784 1.00 20.66 C ATOM 798 O VAL A 105 55.648 121.372 31.837 1.00 21.50 O ATOM 799 CB VAL A 105 56.172 122.088 34.784 1.00 20.68 C ATOM 800 CG1 VAL A 105 55.328 123.330 34.976 1.00 21.97 C ATOM 801 CG2 VAL A 105 56.812 121.702 36.090 1.00 20.95 C ATOM 0 H VAL A 105 56.833 119.775 33.559 1.00 18.85 H new ATOM 0 HA VAL A 105 54.577 120.791 34.763 1.00 19.57 H new ATOM 0 HB VAL A 105 56.880 122.279 34.149 1.00 20.68 H new ATOM 0 HG11 VAL A 105 55.873 124.036 35.356 1.00 21.97 H new ATOM 0 HG12 VAL A 105 54.977 123.619 34.119 1.00 21.97 H new ATOM 0 HG13 VAL A 105 54.592 123.132 35.576 1.00 21.97 H new ATOM 0 HG21 VAL A 105 57.324 122.451 36.434 1.00 20.95 H new ATOM 0 HG22 VAL A 105 56.123 121.461 36.729 1.00 20.95 H new ATOM 0 HG23 VAL A 105 57.402 120.945 35.950 1.00 20.95 H new ATOM 802 N THR A 106 53.479 121.417 32.652 1.00 22.43 N ATOM 803 CA THR A 106 52.795 121.880 31.418 1.00 22.75 C ATOM 804 C THR A 106 51.806 123.031 31.707 1.00 25.26 C ATOM 805 O THR A 106 51.446 123.258 32.876 1.00 25.54 O ATOM 806 CB THR A 106 52.089 120.670 30.773 1.00 26.05 C ATOM 807 OG1 THR A 106 51.142 120.202 31.728 1.00 27.47 O ATOM 808 CG2 THR A 106 53.007 119.541 30.396 1.00 24.92 C ATOM 0 H THR A 106 52.933 121.236 33.291 1.00 22.43 H new ATOM 0 HA THR A 106 53.451 122.241 30.801 1.00 22.75 H new ATOM 0 HB THR A 106 51.688 120.963 29.940 1.00 26.05 H new ATOM 0 HG1 THR A 106 51.510 119.644 32.237 1.00 27.47 H new ATOM 0 HG21 THR A 106 52.490 118.822 29.999 1.00 24.92 H new ATOM 0 HG22 THR A 106 53.664 119.858 29.757 1.00 24.92 H new ATOM 0 HG23 THR A 106 53.460 119.213 31.189 1.00 24.92 H new ATOM 809 N HIS A 107 51.332 123.726 30.665 1.00 28.72 N ATOM 810 CA HIS A 107 50.215 124.706 30.822 1.00 29.48 C ATOM 811 C HIS A 107 48.992 123.987 31.391 1.00 32.48 C ATOM 812 O HIS A 107 48.685 122.900 30.938 1.00 33.11 O ATOM 813 CB HIS A 107 49.887 125.353 29.481 1.00 32.65 C ATOM 814 CG HIS A 107 50.796 126.456 29.098 1.00 36.74 C ATOM 815 ND1 HIS A 107 51.543 126.424 27.949 1.00 42.20 N ATOM 816 CD2 HIS A 107 51.021 127.653 29.669 1.00 35.84 C ATOM 817 CE1 HIS A 107 52.222 127.554 27.837 1.00 40.26 C ATOM 818 NE2 HIS A 107 51.931 128.308 28.887 1.00 41.47 N ATOM 0 H HIS A 107 51.632 123.654 29.862 1.00 28.72 H new ATOM 0 HA HIS A 107 50.483 125.408 31.435 1.00 29.48 H new ATOM 0 HB2 HIS A 107 49.913 124.672 28.791 1.00 32.65 H new ATOM 0 HB3 HIS A 107 48.979 125.692 29.511 1.00 32.65 H new ATOM 0 HD1 HIS A 107 51.567 125.772 27.389 1.00 42.20 H new ATOM 0 HD2 HIS A 107 50.631 127.975 30.449 1.00 35.84 H new ATOM 0 HE1 HIS A 107 52.801 127.779 27.145 1.00 40.26 H new ATOM 819 N LEU A 108 48.292 124.605 32.351 1.00 30.70 N ATOM 820 CA LEU A 108 47.084 124.029 32.947 1.00 31.25 C ATOM 821 C LEU A 108 45.984 124.120 31.891 1.00 33.64 C ATOM 822 O LEU A 108 45.769 125.222 31.365 1.00 38.75 O ATOM 823 CB LEU A 108 46.724 124.824 34.204 1.00 32.72 C ATOM 824 CG LEU A 108 45.582 124.279 35.036 1.00 35.71 C ATOM 825 CD1 LEU A 108 45.928 122.936 35.645 1.00 35.49 C ATOM 826 CD2 LEU A 108 45.213 125.289 36.120 1.00 36.86 C ATOM 0 H LEU A 108 48.507 125.372 32.674 1.00 30.70 H new ATOM 0 HA LEU A 108 47.208 123.104 33.210 1.00 31.25 H new ATOM 0 HB2 LEU A 108 47.512 124.878 34.767 1.00 32.72 H new ATOM 0 HB3 LEU A 108 46.502 125.730 33.938 1.00 32.72 H new ATOM 0 HG LEU A 108 44.817 124.140 34.455 1.00 35.71 H new ATOM 0 HD11 LEU A 108 45.178 122.616 36.170 1.00 35.49 H new ATOM 0 HD12 LEU A 108 46.122 122.301 34.938 1.00 35.49 H new ATOM 0 HD13 LEU A 108 46.706 123.031 36.217 1.00 35.49 H new ATOM 0 HD21 LEU A 108 44.482 124.940 36.653 1.00 36.86 H new ATOM 0 HD22 LEU A 108 45.981 125.447 36.691 1.00 36.86 H new ATOM 0 HD23 LEU A 108 44.941 126.123 35.706 1.00 36.86 H new ATOM 827 N MET A 109 45.413 122.982 31.515 1.00 36.45 N ATOM 828 CA MET A 109 44.282 122.939 30.545 1.00 38.15 C ATOM 829 C MET A 109 42.947 123.013 31.310 1.00 37.15 C ATOM 830 O MET A 109 42.759 122.280 32.298 1.00 46.59 O ATOM 831 CB MET A 109 44.390 121.685 29.671 1.00 42.07 C ATOM 832 CG MET A 109 45.728 121.629 28.887 1.00 46.50 C ATOM 833 SD MET A 109 46.004 123.023 27.713 1.00 55.71 S ATOM 834 CE MET A 109 47.764 123.291 27.912 1.00 56.48 C ATOM 0 H MET A 109 45.657 122.209 31.804 1.00 36.45 H new ATOM 0 HA MET A 109 44.321 123.704 29.950 1.00 38.15 H new ATOM 0 HB2 MET A 109 44.311 120.896 30.230 1.00 42.07 H new ATOM 0 HB3 MET A 109 43.649 121.664 29.045 1.00 42.07 H new ATOM 0 HG2 MET A 109 46.460 121.611 29.524 1.00 46.50 H new ATOM 0 HG3 MET A 109 45.762 120.796 28.392 1.00 46.50 H new ATOM 0 HE1 MET A 109 47.916 124.162 28.312 1.00 56.48 H new ATOM 0 HE2 MET A 109 48.133 122.603 28.487 1.00 56.48 H new ATOM 0 HE3 MET A 109 48.197 123.254 27.045 1.00 56.48 H new ATOM 835 N GLY A 110 42.054 123.897 30.880 1.00 45.56 N ATOM 836 CA GLY A 110 40.671 123.929 31.406 1.00 46.07 C ATOM 837 C GLY A 110 39.817 122.892 30.713 1.00 44.24 C ATOM 838 O GLY A 110 39.851 121.696 31.077 1.00 50.27 O ATOM 0 H GLY A 110 42.219 124.493 30.282 1.00 45.56 H new ATOM 0 HA2 GLY A 110 40.679 123.763 32.362 1.00 46.07 H new ATOM 0 HA3 GLY A 110 40.289 124.811 31.274 1.00 46.07 H new ATOM 839 N ALA A 111 39.061 123.323 29.721 1.00 40.88 N ATOM 840 CA ALA A 111 38.026 122.492 29.119 1.00 35.57 C ATOM 841 C ALA A 111 38.671 121.529 28.108 1.00 33.32 C ATOM 842 O ALA A 111 39.689 121.866 27.509 1.00 31.67 O ATOM 843 CB ALA A 111 37.005 123.362 28.463 1.00 38.09 C ATOM 0 H ALA A 111 39.130 124.107 29.374 1.00 40.88 H new ATOM 0 HA ALA A 111 37.581 121.966 29.802 1.00 35.57 H new ATOM 0 HB1 ALA A 111 36.317 122.808 28.063 1.00 38.09 H new ATOM 0 HB2 ALA A 111 36.604 123.947 29.125 1.00 38.09 H new ATOM 0 HB3 ALA A 111 37.430 123.897 27.774 1.00 38.09 H new ATOM 844 N ASP A 112 38.066 120.369 27.976 1.00 31.72 N ATOM 845 CA ASP A 112 38.333 119.441 26.857 1.00 30.20 C ATOM 846 C ASP A 112 37.181 119.505 25.861 1.00 31.08 C ATOM 847 O ASP A 112 36.155 120.201 26.116 1.00 31.45 O ATOM 848 CB ASP A 112 38.670 118.069 27.418 1.00 29.86 C ATOM 849 CG ASP A 112 37.501 117.307 28.024 1.00 31.94 C ATOM 850 OD1 ASP A 112 36.362 117.615 27.685 1.00 36.30 O ATOM 851 OD2 ASP A 112 37.764 116.460 28.877 1.00 34.90 O ATOM 0 H ASP A 112 37.478 120.079 28.533 1.00 31.72 H new ATOM 0 HA ASP A 112 39.114 119.695 26.341 1.00 30.20 H new ATOM 0 HB2 ASP A 112 39.054 117.531 26.708 1.00 29.86 H new ATOM 0 HB3 ASP A 112 39.355 118.173 28.097 1.00 29.86 H new ATOM 852 N LEU A 113 37.305 118.767 24.767 1.00 27.48 N ATOM 853 CA LEU A 113 36.334 118.749 23.660 1.00 32.28 C ATOM 854 C LEU A 113 35.002 118.115 24.121 1.00 41.42 C ATOM 855 O LEU A 113 33.971 118.308 23.439 1.00 44.92 O ATOM 856 CB LEU A 113 36.902 117.982 22.473 1.00 33.36 C ATOM 857 CG LEU A 113 36.764 118.579 21.078 1.00 40.62 C ATOM 858 CD1 LEU A 113 36.529 117.495 20.060 1.00 39.54 C ATOM 859 CD2 LEU A 113 35.723 119.678 20.952 1.00 39.30 C ATOM 0 H LEU A 113 37.975 118.244 24.636 1.00 27.48 H new ATOM 0 HA LEU A 113 36.161 119.663 23.386 1.00 32.28 H new ATOM 0 HB2 LEU A 113 37.847 117.841 22.640 1.00 33.36 H new ATOM 0 HB3 LEU A 113 36.483 117.107 22.461 1.00 33.36 H new ATOM 0 HG LEU A 113 37.611 119.017 20.901 1.00 40.62 H new ATOM 0 HD11 LEU A 113 36.444 117.891 19.179 1.00 39.54 H new ATOM 0 HD12 LEU A 113 37.277 116.878 20.065 1.00 39.54 H new ATOM 0 HD13 LEU A 113 35.714 117.016 20.279 1.00 39.54 H new ATOM 0 HD21 LEU A 113 35.701 120.000 20.037 1.00 39.30 H new ATOM 0 HD22 LEU A 113 34.851 119.327 21.192 1.00 39.30 H new ATOM 0 HD23 LEU A 113 35.951 120.410 21.546 1.00 39.30 H new ATOM 860 N ASN A 114 35.077 117.350 25.208 0.48 39.06 N ATOM 861 CA ASN A 114 33.904 116.677 25.814 0.48 46.25 C ATOM 862 C ASN A 114 33.077 117.730 26.536 0.48 46.07 C ATOM 863 O ASN A 114 31.863 117.601 26.548 0.48 53.99 O ATOM 864 CB ASN A 114 34.329 115.636 26.840 0.48 46.17 C ATOM 865 CG ASN A 114 34.266 114.239 26.283 0.48 46.42 C ATOM 866 OD1 ASN A 114 33.438 113.953 25.430 0.48 51.09 O ATOM 867 ND2 ASN A 114 35.147 113.379 26.744 0.48 46.51 N ATOM 0 H ASN A 114 35.814 117.200 25.626 0.48 39.06 H new ATOM 0 HA ASN A 114 33.402 116.237 25.110 0.48 46.25 H new ATOM 0 HB2 ASN A 114 35.233 115.825 27.136 0.48 46.17 H new ATOM 0 HB3 ASN A 114 33.756 115.699 27.620 0.48 46.17 H new ATOM 0 HD21 ASN A 114 35.158 112.573 26.445 0.48 46.51 H new ATOM 0 HD22 ASN A 114 35.712 113.623 27.345 0.48 46.51 H new ATOM 868 N ASN A 115 33.730 118.795 27.010 0.48 48.82 N ATOM 869 CA ASN A 115 33.075 119.916 27.738 0.48 49.02 C ATOM 870 C ASN A 115 32.510 120.968 26.773 0.48 51.31 C ATOM 871 O ASN A 115 32.155 122.055 27.259 0.48 55.02 O ATOM 872 CB ASN A 115 34.017 120.587 28.735 0.48 48.91 C ATOM 873 CG ASN A 115 34.578 119.630 29.762 0.48 49.72 C ATOM 874 OD1 ASN A 115 35.835 119.814 30.126 0.48 51.39 O flip ATOM 875 ND2 ASN A 115 33.883 118.730 30.222 0.48 48.94 N flip ATOM 0 H ASN A 115 34.579 118.897 26.921 0.48 48.82 H new ATOM 0 HA ASN A 115 32.341 119.520 28.233 0.48 49.02 H new ATOM 0 HB2 ASN A 115 34.750 120.999 28.251 0.48 48.91 H new ATOM 0 HB3 ASN A 115 33.542 121.299 29.191 0.48 48.91 H new ATOM 0 HD21 ASN A 115 33.068 118.640 29.962 0.48 48.94 H new ATOM 0 HD22 ASN A 115 34.210 118.189 30.805 0.48 48.94 H new ATOM 876 N ILE A 116 32.489 120.692 25.463 0.48 47.02 N ATOM 877 CA ILE A 116 31.898 121.597 24.436 0.48 43.47 C ATOM 878 C ILE A 116 30.972 120.769 23.532 0.48 37.64 C ATOM 879 O ILE A 116 29.972 121.310 23.093 0.48 35.93 O ATOM 880 CB ILE A 116 32.958 122.413 23.653 0.48 47.22 C ATOM 881 CG1 ILE A 116 33.556 121.648 22.474 0.48 46.30 C ATOM 882 CG2 ILE A 116 34.044 123.003 24.545 0.48 47.02 C ATOM 883 CD1 ILE A 116 33.277 122.291 21.148 0.48 47.04 C ATOM 0 H ILE A 116 32.818 119.969 25.133 0.48 47.02 H new ATOM 0 HA ILE A 116 31.372 122.279 24.882 0.48 43.47 H new ATOM 0 HB ILE A 116 32.467 123.162 23.281 0.48 47.22 H new ATOM 0 HG12 ILE A 116 34.516 121.576 22.596 0.48 46.30 H new ATOM 0 HG13 ILE A 116 33.202 120.745 22.469 0.48 46.30 H new ATOM 0 HG21 ILE A 116 34.675 123.500 24.001 0.48 47.02 H new ATOM 0 HG22 ILE A 116 33.640 123.598 25.196 0.48 47.02 H new ATOM 0 HG23 ILE A 116 34.509 122.287 25.006 0.48 47.02 H new ATOM 0 HD11 ILE A 116 33.680 121.763 20.441 0.48 47.04 H new ATOM 0 HD12 ILE A 116 32.319 122.341 21.008 0.48 47.04 H new ATOM 0 HD13 ILE A 116 33.652 123.185 21.137 0.48 47.04 H new ATOM 884 N VAL A 117 31.278 119.492 23.286 0.48 17.79 N ATOM 885 CA VAL A 117 30.409 118.651 22.413 0.48 18.99 C ATOM 886 C VAL A 117 29.094 118.386 23.150 0.48 25.99 C ATOM 887 O VAL A 117 28.033 118.575 22.552 0.48 33.39 O ATOM 888 CB VAL A 117 31.092 117.324 22.029 0.48 21.52 C ATOM 0 H VAL A 117 31.968 119.089 23.603 0.48 17.79 H new ATOM 0 HA VAL A 117 30.240 119.127 21.585 0.48 18.99 H new ATOM 889 N LYS A 118 29.187 117.980 24.412 0.48 36.95 N ATOM 890 CA LYS A 118 27.991 117.644 25.224 0.48 44.88 C ATOM 891 C LYS A 118 27.191 118.898 25.590 0.48 51.91 C ATOM 892 O LYS A 118 25.960 118.874 25.415 0.48 49.10 O ATOM 893 CB LYS A 118 28.425 116.950 26.519 0.48 46.83 C ATOM 0 H LYS A 118 29.933 117.888 24.830 0.48 36.95 H new ATOM 0 HA LYS A 118 27.430 117.058 24.692 0.48 44.88 H new ATOM 894 N CYS A 119 27.873 119.947 26.058 0.48 59.57 N ATOM 895 CA CYS A 119 27.169 121.140 26.599 0.48 65.47 C ATOM 896 C CYS A 119 27.533 122.437 25.868 0.48 68.30 C ATOM 897 O CYS A 119 28.190 123.283 26.515 0.48 68.29 O ATOM 898 CB CYS A 119 27.489 121.285 28.084 0.48 66.82 C ATOM 899 SG CYS A 119 28.422 119.889 28.769 0.48 72.35 S ATOM 0 H CYS A 119 28.731 119.998 26.076 0.48 59.57 H new ATOM 0 HA CYS A 119 26.219 120.997 26.462 0.48 65.47 H new ATOM 0 HB2 CYS A 119 27.997 122.100 28.219 0.48 66.82 H new ATOM 0 HB3 CYS A 119 26.660 121.382 28.577 0.48 66.82 H new ATOM 0 HG CYS A 119 28.633 120.082 29.934 0.48 72.35 H new ATOM 900 N GLN A 120 27.068 122.574 24.611 0.48 71.42 N ATOM 901 CA GLN A 120 27.220 123.755 23.704 0.48 69.87 C ATOM 902 C GLN A 120 26.625 123.430 22.329 0.48 68.55 C ATOM 903 O GLN A 120 26.308 122.259 22.093 0.48 72.75 O ATOM 904 CB GLN A 120 28.665 124.209 23.492 0.48 69.77 C ATOM 905 CG GLN A 120 28.813 125.713 23.343 0.48 70.02 C ATOM 906 CD GLN A 120 29.544 126.291 24.526 0.48 70.81 C ATOM 907 OE1 GLN A 120 28.954 126.906 25.410 0.48 71.73 O ATOM 908 NE2 GLN A 120 30.845 126.072 24.559 0.48 71.03 N ATOM 0 H GLN A 120 26.625 121.941 24.234 0.48 71.42 H new ATOM 0 HA GLN A 120 26.751 124.480 24.146 0.48 69.87 H new ATOM 0 HB2 GLN A 120 29.203 123.911 24.242 0.48 69.77 H new ATOM 0 HB3 GLN A 120 29.019 123.776 22.699 0.48 69.77 H new ATOM 0 HG2 GLN A 120 29.296 125.917 22.527 0.48 70.02 H new ATOM 0 HG3 GLN A 120 27.938 126.123 23.265 0.48 70.02 H new ATOM 0 HE21 GLN A 120 31.224 125.637 23.921 0.48 71.03 H new ATOM 0 HE22 GLN A 120 31.314 126.364 25.218 0.48 71.03 H new ATOM 909 N LYS A 121 26.500 124.443 21.466 0.48 65.72 N ATOM 910 CA LYS A 121 25.960 124.293 20.090 0.48 63.16 C ATOM 911 C LYS A 121 27.034 124.699 19.077 0.48 61.79 C ATOM 912 O LYS A 121 27.368 125.904 19.010 0.48 61.79 O ATOM 913 CB LYS A 121 24.698 125.137 19.921 0.48 63.09 C ATOM 0 H LYS A 121 26.727 125.250 21.658 0.48 65.72 H new ATOM 0 HA LYS A 121 25.719 123.366 19.935 0.48 63.16 H new ATOM 914 N LEU A 122 27.543 123.725 18.318 0.48 58.21 N ATOM 915 CA LEU A 122 28.639 123.924 17.335 0.48 52.84 C ATOM 916 C LEU A 122 28.059 124.170 15.942 0.48 47.29 C ATOM 917 O LEU A 122 27.234 123.361 15.483 0.48 50.33 O ATOM 918 CB LEU A 122 29.529 122.680 17.326 0.48 52.74 C ATOM 919 CG LEU A 122 30.150 122.309 18.669 0.48 54.09 C ATOM 920 CD1 LEU A 122 31.201 121.226 18.486 0.48 54.33 C ATOM 921 CD2 LEU A 122 30.750 123.531 19.346 0.48 53.17 C ATOM 0 H LEU A 122 27.262 122.913 18.354 0.48 58.21 H new ATOM 0 HA LEU A 122 29.166 124.698 17.586 0.48 52.84 H new ATOM 0 HB2 LEU A 122 29.004 121.928 17.011 0.48 52.74 H new ATOM 0 HB3 LEU A 122 30.243 122.816 16.684 0.48 52.74 H new ATOM 0 HG LEU A 122 29.449 121.963 19.243 0.48 54.09 H new ATOM 0 HD11 LEU A 122 31.587 121.000 19.347 0.48 54.33 H new ATOM 0 HD12 LEU A 122 30.789 120.437 18.100 0.48 54.33 H new ATOM 0 HD13 LEU A 122 31.899 121.548 17.894 0.48 54.33 H new ATOM 0 HD21 LEU A 122 31.138 123.272 20.196 0.48 53.17 H new ATOM 0 HD22 LEU A 122 31.439 123.910 18.778 0.48 53.17 H new ATOM 0 HD23 LEU A 122 30.056 124.192 19.496 0.48 53.17 H new ATOM 922 N THR A 123 28.509 125.236 15.289 0.48 42.73 N ATOM 923 CA THR A 123 28.205 125.527 13.869 0.48 39.61 C ATOM 924 C THR A 123 29.186 124.759 12.979 0.48 36.60 C ATOM 925 O THR A 123 30.196 124.244 13.515 0.48 31.86 O ATOM 926 CB THR A 123 28.296 127.030 13.585 0.48 41.53 C ATOM 927 OG1 THR A 123 29.656 127.453 13.706 0.48 40.49 O ATOM 928 CG2 THR A 123 27.432 127.851 14.517 0.48 42.57 C ATOM 0 H THR A 123 29.011 125.829 15.657 0.48 42.73 H new ATOM 0 HA THR A 123 27.298 125.244 13.676 0.48 39.61 H new ATOM 0 HB THR A 123 27.969 127.175 12.683 0.48 41.53 H new ATOM 0 HG1 THR A 123 29.925 127.311 14.489 0.48 40.49 H new ATOM 0 HG21 THR A 123 27.523 128.792 14.299 0.48 42.57 H new ATOM 0 HG22 THR A 123 26.505 127.585 14.417 0.48 42.57 H new ATOM 0 HG23 THR A 123 27.714 127.704 15.433 0.48 42.57 H new ATOM 929 N ASP A 124 28.910 124.717 11.676 1.00 33.20 N ATOM 930 CA ASP A 124 29.852 124.114 10.687 1.00 33.25 C ATOM 931 C ASP A 124 31.214 124.823 10.773 1.00 32.11 C ATOM 932 O ASP A 124 32.253 124.168 10.590 1.00 27.15 O ATOM 933 CB ASP A 124 29.291 124.122 9.267 1.00 30.03 C ATOM 934 CG ASP A 124 30.123 123.355 8.254 1.00 27.07 C ATOM 935 OD1 ASP A 124 30.352 122.133 8.461 1.00 30.34 O ATOM 936 OD2 ASP A 124 30.488 123.947 7.261 1.00 28.28 O ATOM 0 H ASP A 124 28.187 125.028 11.330 1.00 33.20 H new ATOM 0 HA ASP A 124 29.973 123.179 10.915 1.00 33.25 H new ATOM 0 HB2 ASP A 124 28.396 123.747 9.283 1.00 30.03 H new ATOM 0 HB3 ASP A 124 29.208 125.042 8.970 1.00 30.03 H new ATOM 937 N ASP A 125 31.217 126.136 11.035 0.48 31.57 N ATOM 938 CA ASP A 125 32.465 126.940 11.125 0.48 30.79 C ATOM 939 C ASP A 125 33.299 126.438 12.313 0.48 27.66 C ATOM 940 O ASP A 125 34.530 126.351 12.166 0.48 27.50 O ATOM 941 CB ASP A 125 32.173 128.442 11.231 0.48 34.15 C ATOM 942 CG ASP A 125 31.693 129.079 9.935 0.48 37.57 C ATOM 943 OD1 ASP A 125 32.289 128.795 8.871 0.48 39.95 O ATOM 944 OD2 ASP A 125 30.726 129.861 9.999 0.48 41.06 O ATOM 0 H ASP A 125 30.500 126.592 11.167 0.48 31.57 H new ATOM 0 HA ASP A 125 32.974 126.823 10.307 0.48 30.79 H new ATOM 0 HB2 ASP A 125 31.501 128.583 11.917 0.48 34.15 H new ATOM 0 HB3 ASP A 125 32.978 128.897 11.524 0.48 34.15 H new ATOM 945 N HIS A 126 32.661 126.115 13.440 1.00 26.48 N ATOM 946 CA HIS A 126 33.379 125.570 14.643 1.00 25.73 C ATOM 947 C HIS A 126 33.983 124.206 14.256 1.00 23.72 C ATOM 948 O HIS A 126 35.172 123.942 14.617 1.00 25.33 O ATOM 949 CB HIS A 126 32.476 125.368 15.857 1.00 30.16 C ATOM 950 CG HIS A 126 32.049 126.630 16.529 1.00 40.66 C ATOM 951 ND1 HIS A 126 30.721 127.010 16.569 1.00 45.62 N ATOM 952 CD2 HIS A 126 32.734 127.588 17.193 1.00 42.97 C ATOM 953 CE1 HIS A 126 30.611 128.145 17.231 1.00 44.30 C ATOM 954 NE2 HIS A 126 31.826 128.523 17.629 1.00 42.23 N ATOM 0 H HIS A 126 31.812 126.198 13.546 1.00 26.48 H new ATOM 0 HA HIS A 126 34.052 126.221 14.897 1.00 25.73 H new ATOM 0 HB2 HIS A 126 31.685 124.879 15.580 1.00 30.16 H new ATOM 0 HB3 HIS A 126 32.941 124.813 16.502 1.00 30.16 H new ATOM 0 HD2 HIS A 126 33.654 127.610 17.330 1.00 42.97 H new ATOM 0 HE1 HIS A 126 29.819 128.605 17.393 1.00 44.30 H new ATOM 0 HE2 HIS A 126 32.010 129.231 18.081 1.00 42.23 H new ATOM 955 N VAL A 127 33.224 123.379 13.566 1.00 23.57 N ATOM 956 CA VAL A 127 33.720 122.005 13.196 1.00 23.90 C ATOM 957 C VAL A 127 34.919 122.171 12.250 1.00 22.40 C ATOM 958 O VAL A 127 35.985 121.502 12.459 1.00 21.85 O ATOM 959 CB VAL A 127 32.653 121.094 12.582 1.00 23.68 C ATOM 960 CG1 VAL A 127 33.221 119.719 12.210 1.00 22.93 C ATOM 961 CG2 VAL A 127 31.453 120.892 13.494 1.00 27.37 C ATOM 0 H VAL A 127 32.429 123.562 13.293 1.00 23.57 H new ATOM 0 HA VAL A 127 33.980 121.554 14.014 1.00 23.90 H new ATOM 0 HB VAL A 127 32.359 121.554 11.780 1.00 23.68 H new ATOM 0 HG11 VAL A 127 32.518 119.172 11.825 1.00 22.93 H new ATOM 0 HG12 VAL A 127 33.936 119.828 11.563 1.00 22.93 H new ATOM 0 HG13 VAL A 127 33.569 119.286 13.006 1.00 22.93 H new ATOM 0 HG21 VAL A 127 30.810 120.310 13.059 1.00 27.37 H new ATOM 0 HG22 VAL A 127 31.743 120.488 14.326 1.00 27.37 H new ATOM 0 HG23 VAL A 127 31.039 121.749 13.679 1.00 27.37 H new ATOM 962 N GLN A 128 34.814 123.013 11.202 1.00 21.07 N ATOM 963 CA GLN A 128 35.964 123.262 10.288 1.00 22.19 C ATOM 964 C GLN A 128 37.190 123.632 11.159 1.00 21.01 C ATOM 965 O GLN A 128 38.323 123.075 10.964 1.00 19.71 O ATOM 966 CB GLN A 128 35.641 124.402 9.302 1.00 21.26 C ATOM 967 CG GLN A 128 34.668 124.028 8.193 1.00 24.32 C ATOM 968 CD GLN A 128 34.291 125.267 7.394 1.00 35.12 C ATOM 969 OE1 GLN A 128 35.213 126.208 7.319 1.00 39.98 O flip ATOM 970 NE2 GLN A 128 33.187 125.387 6.862 1.00 32.04 N flip ATOM 0 H GLN A 128 34.098 123.446 11.002 1.00 21.07 H new ATOM 0 HA GLN A 128 36.150 122.468 9.763 1.00 22.19 H new ATOM 0 HB2 GLN A 128 35.273 125.149 9.800 1.00 21.26 H new ATOM 0 HB3 GLN A 128 36.468 124.709 8.900 1.00 21.26 H new ATOM 0 HG2 GLN A 128 35.070 123.367 7.608 1.00 24.32 H new ATOM 0 HG3 GLN A 128 33.872 123.624 8.573 1.00 24.32 H new ATOM 0 HE21 GLN A 128 32.607 124.756 6.929 1.00 32.04 H new ATOM 0 HE22 GLN A 128 32.996 126.102 6.424 1.00 32.04 H new ATOM 971 N PHE A 129 37.079 124.588 12.077 1.00 21.46 N ATOM 972 CA PHE A 129 38.269 125.132 12.782 1.00 20.82 C ATOM 973 C PHE A 129 38.844 124.063 13.730 1.00 20.15 C ATOM 974 O PHE A 129 40.131 123.940 13.851 1.00 19.80 O ATOM 975 CB PHE A 129 37.947 126.449 13.517 1.00 22.50 C ATOM 976 CG PHE A 129 39.118 127.156 14.154 1.00 24.05 C ATOM 977 CD1 PHE A 129 40.286 127.398 13.457 1.00 28.25 C ATOM 978 CD2 PHE A 129 39.046 127.615 15.449 1.00 23.71 C ATOM 979 CE1 PHE A 129 41.350 128.061 14.047 1.00 28.02 C ATOM 980 CE2 PHE A 129 40.108 128.299 16.035 1.00 27.64 C ATOM 981 CZ PHE A 129 41.250 128.530 15.322 1.00 25.62 C ATOM 0 H PHE A 129 36.332 124.942 12.314 1.00 21.46 H new ATOM 0 HA PHE A 129 38.947 125.352 12.124 1.00 20.82 H new ATOM 0 HB2 PHE A 129 37.530 127.057 12.886 1.00 22.50 H new ATOM 0 HB3 PHE A 129 37.291 126.261 14.207 1.00 22.50 H new ATOM 0 HD1 PHE A 129 40.359 127.111 12.576 1.00 28.25 H new ATOM 0 HD2 PHE A 129 38.272 127.465 15.943 1.00 23.71 H new ATOM 0 HE1 PHE A 129 42.138 128.187 13.569 1.00 28.02 H new ATOM 0 HE2 PHE A 129 40.040 128.599 16.913 1.00 27.64 H new ATOM 0 HZ PHE A 129 41.953 129.004 15.704 1.00 25.62 H new ATOM 982 N LEU A 130 37.982 123.380 14.463 1.00 20.37 N ATOM 983 CA LEU A 130 38.480 122.368 15.428 1.00 19.20 C ATOM 984 C LEU A 130 39.193 121.246 14.663 1.00 18.56 C ATOM 985 O LEU A 130 40.316 120.829 15.108 1.00 18.79 O ATOM 986 CB LEU A 130 37.319 121.831 16.270 1.00 19.55 C ATOM 987 CG LEU A 130 36.786 122.837 17.302 1.00 20.77 C ATOM 988 CD1 LEU A 130 35.423 122.428 17.785 1.00 23.68 C ATOM 989 CD2 LEU A 130 37.704 122.990 18.501 1.00 21.90 C ATOM 0 H LEU A 130 37.127 123.471 14.432 1.00 20.37 H new ATOM 0 HA LEU A 130 39.118 122.774 16.036 1.00 19.20 H new ATOM 0 HB2 LEU A 130 36.595 121.572 15.679 1.00 19.55 H new ATOM 0 HB3 LEU A 130 37.609 121.029 16.732 1.00 19.55 H new ATOM 0 HG LEU A 130 36.740 123.692 16.847 1.00 20.77 H new ATOM 0 HD11 LEU A 130 35.103 123.073 18.435 1.00 23.68 H new ATOM 0 HD12 LEU A 130 34.810 122.394 17.034 1.00 23.68 H new ATOM 0 HD13 LEU A 130 35.475 121.552 18.199 1.00 23.68 H new ATOM 0 HD21 LEU A 130 37.324 123.633 19.120 1.00 21.90 H new ATOM 0 HD22 LEU A 130 37.802 122.133 18.945 1.00 21.90 H new ATOM 0 HD23 LEU A 130 38.574 123.301 18.205 1.00 21.90 H new ATOM 990 N ILE A 131 38.560 120.680 13.645 1.00 18.64 N ATOM 991 CA ILE A 131 39.201 119.532 12.920 1.00 18.58 C ATOM 992 C ILE A 131 40.455 120.027 12.186 1.00 17.72 C ATOM 993 O ILE A 131 41.474 119.252 12.171 1.00 17.79 O ATOM 994 CB ILE A 131 38.207 118.776 11.996 1.00 17.51 C ATOM 995 CG1 ILE A 131 36.965 118.285 12.764 1.00 18.12 C ATOM 996 CG2 ILE A 131 38.908 117.646 11.277 1.00 18.35 C ATOM 997 CD1 ILE A 131 37.252 117.351 13.916 1.00 18.95 C ATOM 0 H ILE A 131 37.788 120.918 13.350 1.00 18.64 H new ATOM 0 HA ILE A 131 39.477 118.869 13.572 1.00 18.58 H new ATOM 0 HB ILE A 131 37.886 119.402 11.329 1.00 17.51 H new ATOM 0 HG12 ILE A 131 36.486 119.057 13.103 1.00 18.12 H new ATOM 0 HG13 ILE A 131 36.373 117.835 12.141 1.00 18.12 H new ATOM 0 HG21 ILE A 131 38.275 117.184 10.705 1.00 18.35 H new ATOM 0 HG22 ILE A 131 39.630 118.004 10.737 1.00 18.35 H new ATOM 0 HG23 ILE A 131 39.269 117.023 11.927 1.00 18.35 H new ATOM 0 HD11 ILE A 131 36.418 117.094 14.340 1.00 18.95 H new ATOM 0 HD12 ILE A 131 37.704 116.559 13.586 1.00 18.95 H new ATOM 0 HD13 ILE A 131 37.818 117.800 14.563 1.00 18.95 H new ATOM 998 N TYR A 132 40.460 121.244 11.611 1.00 19.09 N ATOM 999 CA TYR A 132 41.676 121.829 10.983 1.00 18.08 C ATOM 1000 C TYR A 132 42.854 121.750 11.966 1.00 17.72 C ATOM 1001 O TYR A 132 43.972 121.310 11.552 1.00 17.36 O ATOM 1002 CB TYR A 132 41.432 123.282 10.520 1.00 20.63 C ATOM 1003 CG TYR A 132 42.688 123.944 10.009 1.00 20.18 C ATOM 1004 CD1 TYR A 132 43.199 123.602 8.784 1.00 20.05 C ATOM 1005 CD2 TYR A 132 43.393 124.822 10.814 1.00 21.15 C ATOM 1006 CE1 TYR A 132 44.383 124.159 8.315 1.00 19.97 C ATOM 1007 CE2 TYR A 132 44.581 125.374 10.357 1.00 19.27 C ATOM 1008 CZ TYR A 132 45.076 125.036 9.120 1.00 20.31 C ATOM 1009 OH TYR A 132 46.283 125.594 8.716 1.00 24.03 O ATOM 0 H TYR A 132 39.768 121.753 11.572 1.00 19.09 H new ATOM 0 HA TYR A 132 41.892 121.313 10.191 1.00 18.08 H new ATOM 0 HB2 TYR A 132 40.760 123.287 9.821 1.00 20.63 H new ATOM 0 HB3 TYR A 132 41.076 123.799 11.260 1.00 20.63 H new ATOM 0 HD1 TYR A 132 42.745 122.985 8.256 1.00 20.05 H new ATOM 0 HD2 TYR A 132 43.071 125.041 11.659 1.00 21.15 H new ATOM 0 HE1 TYR A 132 44.703 123.942 7.469 1.00 19.97 H new ATOM 0 HE2 TYR A 132 45.046 125.977 10.891 1.00 19.27 H new ATOM 0 HH TYR A 132 46.564 125.191 8.035 1.00 24.03 H new ATOM 1010 N GLN A 133 42.659 122.229 13.194 1.00 17.72 N ATOM 1011 CA GLN A 133 43.722 122.285 14.209 1.00 18.13 C ATOM 1012 C GLN A 133 44.199 120.860 14.549 1.00 17.32 C ATOM 1013 O GLN A 133 45.441 120.675 14.742 1.00 17.27 O ATOM 1014 CB GLN A 133 43.281 123.100 15.437 1.00 18.54 C ATOM 1015 CG GLN A 133 43.027 124.580 15.136 1.00 19.49 C ATOM 1016 CD GLN A 133 42.472 125.262 16.363 1.00 21.29 C ATOM 1017 OE1 GLN A 133 43.247 125.681 17.238 1.00 21.42 O ATOM 1018 NE2 GLN A 133 41.151 125.144 16.527 1.00 21.70 N ATOM 0 H GLN A 133 41.902 122.534 13.467 1.00 17.72 H new ATOM 0 HA GLN A 133 44.488 122.759 13.849 1.00 18.13 H new ATOM 0 HB2 GLN A 133 42.471 122.709 15.801 1.00 18.54 H new ATOM 0 HB3 GLN A 133 43.963 123.030 16.123 1.00 18.54 H new ATOM 0 HG2 GLN A 133 43.853 125.010 14.862 1.00 19.49 H new ATOM 0 HG3 GLN A 133 42.404 124.666 14.398 1.00 19.49 H new ATOM 0 HE21 GLN A 133 40.663 124.847 15.884 1.00 21.70 H new ATOM 0 HE22 GLN A 133 40.789 125.365 17.275 1.00 21.70 H new ATOM 1019 N ILE A 134 43.288 119.898 14.741 1.00 16.84 N ATOM 1020 CA ILE A 134 43.732 118.490 15.040 1.00 16.73 C ATOM 1021 C ILE A 134 44.637 118.018 13.884 1.00 18.23 C ATOM 1022 O ILE A 134 45.697 117.437 14.139 1.00 18.01 O ATOM 1023 CB ILE A 134 42.525 117.539 15.211 1.00 18.71 C ATOM 1024 CG1 ILE A 134 41.621 117.975 16.383 1.00 18.73 C ATOM 1025 CG2 ILE A 134 42.967 116.072 15.361 1.00 19.82 C ATOM 1026 CD1 ILE A 134 40.325 117.198 16.470 1.00 21.81 C ATOM 0 H ILE A 134 42.437 120.014 14.708 1.00 16.84 H new ATOM 0 HA ILE A 134 44.221 118.476 15.878 1.00 16.73 H new ATOM 0 HB ILE A 134 42.000 117.599 14.398 1.00 18.71 H new ATOM 0 HG12 ILE A 134 42.109 117.870 17.215 1.00 18.73 H new ATOM 0 HG13 ILE A 134 41.418 118.919 16.291 1.00 18.73 H new ATOM 0 HG21 ILE A 134 42.185 115.507 15.466 1.00 19.82 H new ATOM 0 HG22 ILE A 134 43.459 115.799 14.570 1.00 19.82 H new ATOM 0 HG23 ILE A 134 43.536 115.983 16.141 1.00 19.82 H new ATOM 0 HD11 ILE A 134 39.805 117.519 17.224 1.00 21.81 H new ATOM 0 HD12 ILE A 134 39.818 117.321 15.652 1.00 21.81 H new ATOM 0 HD13 ILE A 134 40.520 116.255 16.590 1.00 21.81 H new ATOM 1027 N LEU A 135 44.218 118.217 12.633 1.00 17.55 N ATOM 1028 CA LEU A 135 45.011 117.758 11.459 1.00 17.75 C ATOM 1029 C LEU A 135 46.345 118.520 11.347 1.00 16.93 C ATOM 1030 O LEU A 135 47.349 117.889 10.917 1.00 17.28 O ATOM 1031 CB LEU A 135 44.153 117.882 10.185 1.00 17.45 C ATOM 1032 CG LEU A 135 42.994 116.894 10.105 1.00 18.21 C ATOM 1033 CD1 LEU A 135 42.079 117.362 8.941 1.00 19.00 C ATOM 1034 CD2 LEU A 135 43.430 115.411 9.882 1.00 18.90 C ATOM 0 H LEU A 135 43.482 118.613 12.431 1.00 17.55 H new ATOM 0 HA LEU A 135 45.247 116.824 11.576 1.00 17.75 H new ATOM 0 HB2 LEU A 135 43.799 118.784 10.134 1.00 17.45 H new ATOM 0 HB3 LEU A 135 44.724 117.757 9.411 1.00 17.45 H new ATOM 0 HG LEU A 135 42.536 116.894 10.960 1.00 18.21 H new ATOM 0 HD11 LEU A 135 41.326 116.756 8.857 1.00 19.00 H new ATOM 0 HD12 LEU A 135 41.754 118.257 9.124 1.00 19.00 H new ATOM 0 HD13 LEU A 135 42.584 117.365 8.113 1.00 19.00 H new ATOM 0 HD21 LEU A 135 42.643 114.845 9.842 1.00 18.90 H new ATOM 0 HD22 LEU A 135 43.922 115.340 9.049 1.00 18.90 H new ATOM 0 HD23 LEU A 135 43.996 115.126 10.616 1.00 18.90 H new ATOM 1035 N ARG A 136 46.389 119.823 11.668 1.00 16.02 N ATOM 1036 CA ARG A 136 47.658 120.614 11.661 1.00 17.00 C ATOM 1037 C ARG A 136 48.623 119.962 12.674 1.00 17.37 C ATOM 1038 O ARG A 136 49.802 119.746 12.346 1.00 18.35 O ATOM 1039 CB ARG A 136 47.311 122.081 11.920 1.00 18.54 C ATOM 1040 CG ARG A 136 48.498 123.018 11.783 1.00 19.33 C ATOM 1041 CD ARG A 136 48.052 124.481 11.842 1.00 21.10 C ATOM 1042 NE ARG A 136 49.184 125.390 11.794 1.00 21.42 N ATOM 1043 CZ ARG A 136 49.696 126.057 12.822 1.00 28.71 C ATOM 1044 NH1 ARG A 136 49.252 125.876 14.057 1.00 30.44 N ATOM 1045 NH2 ARG A 136 50.738 126.868 12.620 1.00 32.53 N ATOM 0 H ARG A 136 45.696 120.278 11.895 1.00 16.02 H new ATOM 0 HA ARG A 136 48.120 120.606 10.808 1.00 17.00 H new ATOM 0 HB2 ARG A 136 46.618 122.356 11.300 1.00 18.54 H new ATOM 0 HB3 ARG A 136 46.943 122.166 12.813 1.00 18.54 H new ATOM 0 HG2 ARG A 136 49.137 122.842 12.492 1.00 19.33 H new ATOM 0 HG3 ARG A 136 48.953 122.849 10.943 1.00 19.33 H new ATOM 0 HD2 ARG A 136 47.455 124.668 11.101 1.00 21.10 H new ATOM 0 HD3 ARG A 136 47.549 124.633 12.657 1.00 21.10 H new ATOM 0 HE ARG A 136 49.558 125.507 11.028 1.00 21.42 H new ATOM 0 HH11 ARG A 136 48.617 125.316 14.208 1.00 30.44 H new ATOM 0 HH12 ARG A 136 49.598 126.319 14.708 1.00 30.44 H new ATOM 0 HH21 ARG A 136 51.070 126.954 11.831 1.00 32.53 H new ATOM 0 HH22 ARG A 136 51.077 127.305 13.279 1.00 32.53 H new ATOM 1046 N GLY A 137 48.158 119.739 13.894 1.00 17.79 N ATOM 1047 CA GLY A 137 48.952 119.050 14.922 1.00 16.77 C ATOM 1048 C GLY A 137 49.391 117.639 14.478 1.00 17.94 C ATOM 1049 O GLY A 137 50.565 117.228 14.662 1.00 17.31 O ATOM 0 H GLY A 137 47.375 119.979 14.157 1.00 17.79 H new ATOM 0 HA2 GLY A 137 49.737 119.580 15.130 1.00 16.77 H new ATOM 0 HA3 GLY A 137 48.432 118.982 15.738 1.00 16.77 H new ATOM 1050 N LEU A 138 48.497 116.861 13.850 1.00 16.17 N ATOM 1051 CA LEU A 138 48.827 115.481 13.394 1.00 18.81 C ATOM 1052 C LEU A 138 49.838 115.503 12.248 1.00 16.59 C ATOM 1053 O LEU A 138 50.671 114.549 12.213 1.00 18.89 O ATOM 1054 CB LEU A 138 47.577 114.720 12.946 1.00 19.91 C ATOM 1055 CG LEU A 138 46.788 113.996 14.006 1.00 26.52 C ATOM 1056 CD1 LEU A 138 45.809 113.052 13.243 1.00 27.45 C ATOM 1057 CD2 LEU A 138 47.667 113.132 14.953 1.00 23.97 C ATOM 0 H LEU A 138 47.692 117.106 13.675 1.00 16.17 H new ATOM 0 HA LEU A 138 49.216 115.023 14.155 1.00 18.81 H new ATOM 0 HB2 LEU A 138 46.983 115.350 12.509 1.00 19.91 H new ATOM 0 HB3 LEU A 138 47.845 114.071 12.277 1.00 19.91 H new ATOM 0 HG LEU A 138 46.344 114.651 14.567 1.00 26.52 H new ATOM 0 HD11 LEU A 138 45.272 112.558 13.882 1.00 27.45 H new ATOM 0 HD12 LEU A 138 45.228 113.580 12.673 1.00 27.45 H new ATOM 0 HD13 LEU A 138 46.317 112.430 12.699 1.00 27.45 H new ATOM 0 HD21 LEU A 138 47.102 112.694 15.609 1.00 23.97 H new ATOM 0 HD22 LEU A 138 48.139 112.462 14.435 1.00 23.97 H new ATOM 0 HD23 LEU A 138 48.309 113.700 15.407 1.00 23.97 H new ATOM 1058 N LYS A 139 49.758 116.438 11.307 1.00 17.04 N ATOM 1059 CA LYS A 139 50.794 116.542 10.262 1.00 18.41 C ATOM 1060 C LYS A 139 52.173 116.614 10.957 1.00 18.46 C ATOM 1061 O LYS A 139 53.114 115.902 10.552 1.00 19.13 O ATOM 1062 CB LYS A 139 50.557 117.711 9.306 1.00 18.62 C ATOM 1063 CG LYS A 139 51.582 117.831 8.193 1.00 18.98 C ATOM 1064 CD LYS A 139 51.574 119.168 7.482 1.00 20.94 C ATOM 1065 CE LYS A 139 52.682 119.230 6.448 1.00 24.25 C ATOM 1066 NZ LYS A 139 52.869 120.585 5.875 1.00 24.43 N ATOM 0 H LYS A 139 49.125 117.017 11.249 1.00 17.04 H new ATOM 0 HA LYS A 139 50.757 115.755 9.696 1.00 18.41 H new ATOM 0 HB2 LYS A 139 49.676 117.617 8.911 1.00 18.62 H new ATOM 0 HB3 LYS A 139 50.552 118.536 9.816 1.00 18.62 H new ATOM 0 HG2 LYS A 139 52.466 117.678 8.563 1.00 18.98 H new ATOM 0 HG3 LYS A 139 51.422 117.129 7.543 1.00 18.98 H new ATOM 0 HD2 LYS A 139 50.716 119.306 7.052 1.00 20.94 H new ATOM 0 HD3 LYS A 139 51.686 119.884 8.127 1.00 20.94 H new ATOM 0 HE2 LYS A 139 53.513 118.939 6.855 1.00 24.25 H new ATOM 0 HE3 LYS A 139 52.484 118.607 5.732 1.00 24.25 H new ATOM 0 HZ1 LYS A 139 53.565 120.579 5.320 1.00 24.43 H new ATOM 0 HZ2 LYS A 139 52.136 120.823 5.429 1.00 24.43 H new ATOM 0 HZ3 LYS A 139 53.018 121.167 6.531 1.00 24.43 H new ATOM 1067 N TYR A 140 52.288 117.469 11.962 1.00 17.76 N ATOM 1068 CA TYR A 140 53.574 117.686 12.699 1.00 18.01 C ATOM 1069 C TYR A 140 53.960 116.383 13.387 1.00 18.20 C ATOM 1070 O TYR A 140 55.131 115.919 13.232 1.00 19.45 O ATOM 1071 CB TYR A 140 53.370 118.838 13.704 1.00 17.20 C ATOM 1072 CG TYR A 140 54.534 119.029 14.653 1.00 17.25 C ATOM 1073 CD1 TYR A 140 55.580 119.862 14.294 1.00 18.41 C ATOM 1074 CD2 TYR A 140 54.574 118.419 15.886 1.00 17.21 C ATOM 1075 CE1 TYR A 140 56.681 120.018 15.130 1.00 19.11 C ATOM 1076 CE2 TYR A 140 55.686 118.536 16.721 1.00 19.43 C ATOM 1077 CZ TYR A 140 56.707 119.391 16.369 1.00 18.91 C ATOM 1078 OH TYR A 140 57.804 119.502 17.204 1.00 20.60 O ATOM 0 H TYR A 140 51.636 117.949 12.251 1.00 17.76 H new ATOM 0 HA TYR A 140 54.296 117.934 12.100 1.00 18.01 H new ATOM 0 HB2 TYR A 140 53.224 119.662 13.214 1.00 17.20 H new ATOM 0 HB3 TYR A 140 52.566 118.668 14.220 1.00 17.20 H new ATOM 0 HD1 TYR A 140 55.546 120.322 13.486 1.00 18.41 H new ATOM 0 HD2 TYR A 140 53.844 117.918 16.169 1.00 17.21 H new ATOM 0 HE1 TYR A 140 57.400 120.542 14.859 1.00 19.11 H new ATOM 0 HE2 TYR A 140 55.737 118.042 17.507 1.00 19.43 H new ATOM 0 HH TYR A 140 57.924 118.775 17.607 1.00 20.60 H new ATOM 1079 N ILE A 141 53.064 115.764 14.164 1.00 17.78 N ATOM 1080 CA ILE A 141 53.388 114.518 14.940 1.00 18.43 C ATOM 1081 C ILE A 141 53.820 113.420 13.942 1.00 17.20 C ATOM 1082 O ILE A 141 54.876 112.737 14.150 1.00 19.83 O ATOM 1083 CB ILE A 141 52.157 114.112 15.803 1.00 18.81 C ATOM 1084 CG1 ILE A 141 51.881 115.116 16.962 1.00 21.22 C ATOM 1085 CG2 ILE A 141 52.267 112.701 16.342 1.00 23.22 C ATOM 1086 CD1 ILE A 141 50.454 115.066 17.468 1.00 22.12 C ATOM 0 H ILE A 141 52.255 116.038 14.266 1.00 17.78 H new ATOM 0 HA ILE A 141 54.124 114.662 15.556 1.00 18.43 H new ATOM 0 HB ILE A 141 51.398 114.141 15.199 1.00 18.81 H new ATOM 0 HG12 ILE A 141 52.485 114.927 17.697 1.00 21.22 H new ATOM 0 HG13 ILE A 141 52.078 116.015 16.657 1.00 21.22 H new ATOM 0 HG21 ILE A 141 51.481 112.494 16.871 1.00 23.22 H new ATOM 0 HG22 ILE A 141 52.332 112.076 15.603 1.00 23.22 H new ATOM 0 HG23 ILE A 141 53.058 112.628 16.898 1.00 23.22 H new ATOM 0 HD11 ILE A 141 50.342 115.709 18.185 1.00 22.12 H new ATOM 0 HD12 ILE A 141 49.846 115.281 16.744 1.00 22.12 H new ATOM 0 HD13 ILE A 141 50.259 114.176 17.800 1.00 22.12 H new ATOM 1087 N HIS A 142 53.045 113.206 12.876 1.00 17.70 N ATOM 1088 CA HIS A 142 53.333 112.109 11.918 1.00 17.27 C ATOM 1089 C HIS A 142 54.674 112.361 11.177 1.00 19.70 C ATOM 1090 O HIS A 142 55.339 111.353 10.825 1.00 21.16 O ATOM 1091 CB HIS A 142 52.121 111.910 10.972 1.00 16.89 C ATOM 1092 CG HIS A 142 50.939 111.310 11.664 1.00 15.87 C ATOM 1093 ND1 HIS A 142 49.739 111.113 10.926 1.00 17.81 N ATOM 1094 CD2 HIS A 142 50.738 110.797 12.897 1.00 17.77 C ATOM 1095 CE1 HIS A 142 48.865 110.526 11.744 1.00 18.97 C ATOM 1096 NE2 HIS A 142 49.430 110.329 12.973 1.00 19.85 N ATOM 0 H HIS A 142 52.351 113.676 12.683 1.00 17.70 H new ATOM 0 HA HIS A 142 53.454 111.274 12.396 1.00 17.27 H new ATOM 0 HB2 HIS A 142 51.868 112.766 10.592 1.00 16.89 H new ATOM 0 HB3 HIS A 142 52.383 111.338 10.233 1.00 16.89 H new ATOM 0 HD1 HIS A 142 49.603 111.332 10.106 1.00 17.81 H new ATOM 0 HD2 HIS A 142 51.368 110.762 13.580 1.00 17.77 H new ATOM 0 HE1 HIS A 142 47.997 110.286 11.512 1.00 18.97 H new ATOM 0 HE2 HIS A 142 49.050 109.982 13.662 1.00 19.85 H new ATOM 1097 N SER A 143 55.063 113.608 10.931 1.00 19.24 N ATOM 1098 CA SER A 143 56.307 113.959 10.221 1.00 20.57 C ATOM 1099 C SER A 143 57.515 113.499 11.061 1.00 21.94 C ATOM 1100 O SER A 143 58.588 113.343 10.418 1.00 27.09 O ATOM 1101 CB SER A 143 56.364 115.442 9.891 1.00 22.62 C ATOM 1102 OG SER A 143 56.645 116.209 11.063 1.00 19.82 O ATOM 0 H SER A 143 54.606 114.294 11.175 1.00 19.24 H new ATOM 0 HA SER A 143 56.331 113.497 9.369 1.00 20.57 H new ATOM 0 HB2 SER A 143 57.047 115.603 9.222 1.00 22.62 H new ATOM 0 HB3 SER A 143 55.519 115.726 9.508 1.00 22.62 H new ATOM 0 HG SER A 143 56.116 115.987 11.677 1.00 19.82 H new ATOM 1103 N ALA A 144 57.377 113.301 12.366 1.00 21.78 N ATOM 1104 CA ALA A 144 58.432 112.781 13.280 1.00 23.27 C ATOM 1105 C ALA A 144 58.345 111.241 13.370 1.00 22.39 C ATOM 1106 O ALA A 144 58.993 110.622 14.279 1.00 22.84 O ATOM 1107 CB ALA A 144 58.307 113.455 14.641 1.00 26.11 C ATOM 0 H ALA A 144 56.640 113.469 12.776 1.00 21.78 H new ATOM 0 HA ALA A 144 59.311 112.994 12.929 1.00 23.27 H new ATOM 0 HB1 ALA A 144 58.995 113.115 15.235 1.00 26.11 H new ATOM 0 HB2 ALA A 144 58.414 114.414 14.539 1.00 26.11 H new ATOM 0 HB3 ALA A 144 57.433 113.266 15.017 1.00 26.11 H new ATOM 1108 N ASP A 145 57.461 110.565 12.573 1.00 21.28 N ATOM 1109 CA ASP A 145 57.144 109.120 12.746 1.00 22.37 C ATOM 1110 C ASP A 145 56.734 108.777 14.178 1.00 21.86 C ATOM 1111 O ASP A 145 57.036 107.662 14.716 1.00 21.93 O ATOM 1112 CB ASP A 145 58.273 108.195 12.236 1.00 24.53 C ATOM 1113 CG ASP A 145 58.453 108.279 10.724 1.00 35.98 C ATOM 1114 OD1 ASP A 145 57.496 108.709 10.013 1.00 39.44 O ATOM 1115 OD2 ASP A 145 59.517 107.867 10.234 1.00 40.30 O ATOM 0 H ASP A 145 57.036 110.936 11.924 1.00 21.28 H new ATOM 0 HA ASP A 145 56.372 108.951 12.184 1.00 22.37 H new ATOM 0 HB2 ASP A 145 59.106 108.434 12.672 1.00 24.53 H new ATOM 0 HB3 ASP A 145 58.075 107.279 12.485 1.00 24.53 H new ATOM 1116 N ILE A 146 55.927 109.669 14.812 1.00 20.10 N ATOM 1117 CA ILE A 146 55.250 109.390 16.097 1.00 23.11 C ATOM 1118 C ILE A 146 53.768 109.029 15.797 1.00 22.51 C ATOM 1119 O ILE A 146 53.187 109.695 14.866 1.00 23.23 O ATOM 1120 CB ILE A 146 55.374 110.612 17.025 1.00 23.70 C ATOM 1121 CG1 ILE A 146 56.852 110.866 17.394 1.00 23.49 C ATOM 1122 CG2 ILE A 146 54.501 110.365 18.244 1.00 25.23 C ATOM 1123 CD1 ILE A 146 57.185 112.250 17.970 1.00 24.54 C ATOM 0 H ILE A 146 55.762 110.453 14.501 1.00 20.10 H new ATOM 0 HA ILE A 146 55.664 108.642 16.555 1.00 23.11 H new ATOM 0 HB ILE A 146 55.067 111.417 16.579 1.00 23.70 H new ATOM 0 HG12 ILE A 146 57.124 110.195 18.040 1.00 23.49 H new ATOM 0 HG13 ILE A 146 57.391 110.730 16.599 1.00 23.49 H new ATOM 0 HG21 ILE A 146 54.563 111.124 18.845 1.00 25.23 H new ATOM 0 HG22 ILE A 146 53.580 110.249 17.964 1.00 25.23 H new ATOM 0 HG23 ILE A 146 54.803 109.565 18.702 1.00 25.23 H new ATOM 0 HD11 ILE A 146 58.134 112.300 18.165 1.00 24.54 H new ATOM 0 HD12 ILE A 146 56.952 112.934 17.323 1.00 24.54 H new ATOM 0 HD13 ILE A 146 56.680 112.391 18.786 1.00 24.54 H new ATOM 1124 N ILE A 147 53.253 107.997 16.420 1.00 22.30 N ATOM 1125 CA ILE A 147 51.799 107.639 16.356 1.00 21.01 C ATOM 1126 C ILE A 147 51.205 108.093 17.700 1.00 21.83 C ATOM 1127 O ILE A 147 51.722 107.629 18.736 1.00 22.27 O ATOM 1128 CB ILE A 147 51.574 106.162 16.040 1.00 24.05 C ATOM 1129 CG1 ILE A 147 52.359 105.757 14.794 1.00 27.37 C ATOM 1130 CG2 ILE A 147 50.080 105.863 15.881 1.00 25.18 C ATOM 1131 CD1 ILE A 147 52.515 104.288 14.661 1.00 28.48 C ATOM 0 H ILE A 147 53.719 107.461 16.905 1.00 22.30 H new ATOM 0 HA ILE A 147 51.348 108.086 15.623 1.00 21.01 H new ATOM 0 HB ILE A 147 51.902 105.633 16.784 1.00 24.05 H new ATOM 0 HG12 ILE A 147 51.908 106.102 14.007 1.00 27.37 H new ATOM 0 HG13 ILE A 147 53.237 106.169 14.822 1.00 27.37 H new ATOM 0 HG21 ILE A 147 49.958 104.922 15.681 1.00 25.18 H new ATOM 0 HG22 ILE A 147 49.617 106.081 16.705 1.00 25.18 H new ATOM 0 HG23 ILE A 147 49.718 106.397 15.156 1.00 25.18 H new ATOM 0 HD11 ILE A 147 53.019 104.087 13.857 1.00 28.48 H new ATOM 0 HD12 ILE A 147 52.989 103.941 15.433 1.00 28.48 H new ATOM 0 HD13 ILE A 147 51.640 103.873 14.606 1.00 28.48 H new ATOM 1132 N HIS A 148 50.088 108.831 17.718 1.00 19.49 N ATOM 1133 CA HIS A 148 49.454 109.219 19.008 1.00 18.14 C ATOM 1134 C HIS A 148 48.816 107.992 19.648 1.00 19.60 C ATOM 1135 O HIS A 148 49.110 107.744 20.850 1.00 20.38 O ATOM 1136 CB HIS A 148 48.444 110.373 18.808 1.00 17.71 C ATOM 1137 CG HIS A 148 47.916 110.890 20.113 1.00 18.24 C ATOM 1138 ND1 HIS A 148 46.992 110.173 20.861 1.00 18.66 N ATOM 1139 CD2 HIS A 148 48.188 112.028 20.782 1.00 18.69 C ATOM 1140 CE1 HIS A 148 46.695 110.898 21.925 1.00 18.47 C ATOM 1141 NE2 HIS A 148 47.445 112.039 21.904 1.00 19.48 N ATOM 0 H HIS A 148 49.682 109.116 17.015 1.00 19.49 H new ATOM 0 HA HIS A 148 50.133 109.555 19.613 1.00 18.14 H new ATOM 0 HB2 HIS A 148 48.872 111.096 18.324 1.00 17.71 H new ATOM 0 HB3 HIS A 148 47.705 110.064 18.261 1.00 17.71 H new ATOM 0 HD2 HIS A 148 48.785 112.690 20.515 1.00 18.69 H new ATOM 0 HE1 HIS A 148 46.077 110.669 22.581 1.00 18.47 H new ATOM 0 HE2 HIS A 148 47.443 112.656 22.503 1.00 19.48 H new ATOM 1142 N AARG A 149 47.952 107.260 18.927 0.25 19.26 N ATOM 1143 N BARG A 149 47.937 107.298 18.899 0.25 20.58 N ATOM 1144 CA AARG A 149 47.366 105.946 19.337 0.25 20.81 C ATOM 1145 CA BARG A 149 47.251 106.006 19.218 0.25 23.01 C ATOM 1146 C AARG A 149 46.179 106.113 20.312 0.25 21.27 C ATOM 1147 C BARG A 149 45.988 106.211 20.074 0.25 22.69 C ATOM 1148 O AARG A 149 45.601 105.075 20.692 0.25 21.85 O ATOM 1149 O BARG A 149 45.122 105.313 20.058 0.25 26.95 O ATOM 1150 CB AARG A 149 48.418 105.038 20.007 0.25 22.63 C ATOM 1151 CB BARG A 149 48.177 105.014 19.940 0.25 26.81 C ATOM 1152 CG AARG A 149 49.791 104.985 19.342 0.25 23.21 C ATOM 1153 CG BARG A 149 48.956 104.075 19.029 0.25 30.29 C ATOM 1154 CD AARG A 149 50.986 104.872 20.290 0.25 27.85 C ATOM 1155 CD BARG A 149 50.275 103.656 19.672 0.25 33.92 C ATOM 1156 NE AARG A 149 52.239 104.690 19.555 0.25 28.39 N ATOM 1157 NE BARG A 149 50.190 103.716 21.123 0.25 36.64 N ATOM 1158 CZ AARG A 149 52.612 103.520 19.054 0.25 29.87 C ATOM 1159 CZ BARG A 149 49.760 102.730 21.901 0.25 38.45 C ATOM 1160 NH1AARG A 149 51.846 102.465 19.249 0.25 33.18 N ATOM 1161 NH1BARG A 149 49.403 101.579 21.363 0.25 42.71 N ATOM 1162 NH2AARG A 149 53.731 103.392 18.368 0.25 29.01 N ATOM 1163 NH2BARG A 149 49.699 102.901 23.212 0.25 39.07 N ATOM 0 H AARG A 149 47.674 107.517 18.155 0.25 20.58 H new ATOM 0 H BARG A 149 47.702 107.589 18.125 0.25 20.58 H new ATOM 0 HA AARG A 149 47.050 105.534 18.518 0.25 23.01 H new ATOM 0 HA BARG A 149 46.997 105.635 18.358 0.25 23.01 H new ATOM 0 HB2AARG A 149 48.535 105.333 20.923 0.25 26.81 H new ATOM 0 HB2BARG A 149 48.808 105.516 20.479 0.25 26.81 H new ATOM 0 HB3AARG A 149 48.063 104.136 20.043 0.25 26.81 H new ATOM 0 HB3BARG A 149 47.644 104.481 20.550 0.25 26.81 H new ATOM 0 HG2AARG A 149 49.809 104.229 18.735 0.25 30.29 H new ATOM 0 HG2BARG A 149 48.422 103.288 18.837 0.25 30.29 H new ATOM 0 HG3AARG A 149 49.902 105.784 18.803 0.25 30.29 H new ATOM 0 HG3BARG A 149 49.131 104.513 18.181 0.25 30.29 H new ATOM 0 HD2AARG A 149 51.043 105.671 20.837 0.25 33.92 H new ATOM 0 HD2BARG A 149 50.502 102.754 19.395 0.25 33.92 H new ATOM 0 HD3AARG A 149 50.852 104.125 20.894 0.25 33.92 H new ATOM 0 HD3BARG A 149 50.988 104.236 19.362 0.25 33.92 H new ATOM 0 HE AARG A 149 52.754 105.370 19.444 0.25 36.64 H new ATOM 0 HE BARG A 149 50.437 104.445 21.506 0.25 36.64 H new ATOM 0 HH11AARG A 149 51.115 102.541 19.696 0.25 42.71 H new ATOM 0 HH11BARG A 149 49.449 101.470 20.511 0.25 42.71 H new ATOM 0 HH12AARG A 149 52.077 101.701 18.929 0.25 42.71 H new ATOM 0 HH12BARG A 149 49.124 100.938 21.864 0.25 42.71 H new ATOM 0 HH21AARG A 149 54.236 104.076 18.238 0.25 39.07 H new ATOM 0 HH21BARG A 149 49.938 103.651 23.559 0.25 39.07 H new ATOM 0 HH22AARG A 149 53.956 102.625 18.051 0.25 39.07 H new ATOM 0 HH22BARG A 149 49.420 102.263 23.716 0.25 39.07 H new ATOM 1164 N ASP A 150 45.877 107.320 20.804 1.00 20.54 N ATOM 1165 CA ASP A 150 44.787 107.478 21.815 1.00 21.68 C ATOM 1166 C ASP A 150 44.050 108.799 21.607 1.00 22.57 C ATOM 1167 O ASP A 150 43.678 109.492 22.577 1.00 22.30 O ATOM 1168 CB ASP A 150 45.332 107.317 23.251 1.00 24.10 C ATOM 1169 CG ASP A 150 44.245 107.094 24.293 1.00 29.95 C ATOM 1170 OD1 ASP A 150 43.140 106.512 23.933 1.00 29.40 O ATOM 1171 OD2 ASP A 150 44.487 107.546 25.462 1.00 26.34 O ATOM 0 H AASP A 150 46.273 108.050 20.580 0.25 20.54 H new ATOM 0 H BASP A 150 46.408 107.994 20.742 0.25 20.54 H new ATOM 0 HA ASP A 150 44.138 106.768 21.688 1.00 21.68 H new ATOM 0 HB2 ASP A 150 45.949 106.569 23.273 1.00 24.10 H new ATOM 0 HB3 ASP A 150 45.839 108.110 23.487 1.00 24.10 H new ATOM 1172 N LEU A 151 43.747 109.189 20.373 1.00 19.58 N ATOM 1173 CA LEU A 151 42.975 110.416 20.131 1.00 17.69 C ATOM 1174 C LEU A 151 41.504 110.161 20.438 1.00 18.04 C ATOM 1175 O LEU A 151 40.944 109.184 19.907 1.00 19.35 O ATOM 1176 CB LEU A 151 43.128 110.928 18.683 1.00 21.05 C ATOM 1177 CG LEU A 151 44.485 111.424 18.228 1.00 24.70 C ATOM 1178 CD1 LEU A 151 44.412 111.668 16.715 1.00 24.66 C ATOM 1179 CD2 LEU A 151 44.851 112.738 18.952 1.00 24.47 C ATOM 0 H LEU A 151 43.975 108.763 19.662 1.00 19.58 H new ATOM 0 HA LEU A 151 43.325 111.104 20.718 1.00 17.69 H new ATOM 0 HB2 LEU A 151 42.862 110.210 18.087 1.00 21.05 H new ATOM 0 HB3 LEU A 151 42.493 111.651 18.558 1.00 21.05 H new ATOM 0 HG LEU A 151 45.166 110.766 18.437 1.00 24.70 H new ATOM 0 HD11 LEU A 151 45.271 111.987 16.397 1.00 24.66 H new ATOM 0 HD12 LEU A 151 44.188 110.839 16.264 1.00 24.66 H new ATOM 0 HD13 LEU A 151 43.731 112.332 16.527 1.00 24.66 H new ATOM 0 HD21 LEU A 151 45.721 113.042 18.650 1.00 24.47 H new ATOM 0 HD22 LEU A 151 44.185 113.414 18.752 1.00 24.47 H new ATOM 0 HD23 LEU A 151 44.877 112.584 19.909 1.00 24.47 H new ATOM 1180 N LYS A 152 40.911 111.043 21.241 1.00 17.74 N ATOM 1181 CA LYS A 152 39.509 111.008 21.698 1.00 19.97 C ATOM 1182 C LYS A 152 39.220 112.381 22.317 1.00 20.45 C ATOM 1183 O LYS A 152 40.168 113.124 22.628 1.00 19.26 O ATOM 1184 CB LYS A 152 39.299 109.844 22.658 1.00 21.51 C ATOM 1185 CG LYS A 152 40.185 109.848 23.888 1.00 21.44 C ATOM 1186 CD LYS A 152 40.010 108.618 24.776 1.00 24.04 C ATOM 1187 CE LYS A 152 40.990 108.678 25.919 1.00 26.99 C ATOM 1188 NZ LYS A 152 40.773 107.541 26.859 1.00 30.22 N ATOM 0 H LYS A 152 41.337 111.721 21.556 1.00 17.74 H new ATOM 0 HA LYS A 152 38.884 110.853 20.973 1.00 19.97 H new ATOM 0 HB2 LYS A 152 38.373 109.845 22.945 1.00 21.51 H new ATOM 0 HB3 LYS A 152 39.446 109.016 22.175 1.00 21.51 H new ATOM 0 HG2 LYS A 152 41.112 109.906 23.609 1.00 21.44 H new ATOM 0 HG3 LYS A 152 39.996 110.643 24.410 1.00 21.44 H new ATOM 0 HD2 LYS A 152 39.103 108.580 25.117 1.00 24.04 H new ATOM 0 HD3 LYS A 152 40.152 107.810 24.258 1.00 24.04 H new ATOM 0 HE2 LYS A 152 41.897 108.651 25.575 1.00 26.99 H new ATOM 0 HE3 LYS A 152 40.891 109.519 26.393 1.00 26.99 H new ATOM 0 HZ1 LYS A 152 41.267 107.661 27.590 1.00 30.22 H new ATOM 0 HZ2 LYS A 152 39.913 107.503 27.085 1.00 30.22 H new ATOM 0 HZ3 LYS A 152 41.010 106.779 26.464 1.00 30.22 H new ATOM 1189 N PRO A 153 37.939 112.774 22.487 1.00 19.68 N ATOM 1190 CA PRO A 153 37.608 114.128 22.959 1.00 20.59 C ATOM 1191 C PRO A 153 38.266 114.540 24.286 1.00 20.52 C ATOM 1192 O PRO A 153 38.718 115.706 24.425 1.00 21.36 O ATOM 1193 CB PRO A 153 36.069 114.146 22.927 1.00 22.75 C ATOM 1194 CG PRO A 153 35.693 113.099 21.885 1.00 22.00 C ATOM 1195 CD PRO A 153 36.738 112.020 22.050 1.00 20.55 C ATOM 0 HA PRO A 153 37.984 114.821 22.394 1.00 20.59 H new ATOM 0 HB2 PRO A 153 35.696 113.929 23.796 1.00 22.75 H new ATOM 0 HB3 PRO A 153 35.732 115.022 22.684 1.00 22.75 H new ATOM 0 HG2 PRO A 153 34.799 112.753 22.036 1.00 22.00 H new ATOM 0 HG3 PRO A 153 35.705 113.470 20.989 1.00 22.00 H new ATOM 0 HD2 PRO A 153 36.470 111.360 22.708 1.00 20.55 H new ATOM 0 HD3 PRO A 153 36.896 111.544 21.219 1.00 20.55 H new ATOM 1196 N SER A 154 38.465 113.603 25.206 1.00 21.48 N ATOM 1197 CA SER A 154 39.075 113.930 26.540 1.00 23.28 C ATOM 1198 C SER A 154 40.567 114.224 26.438 1.00 22.20 C ATOM 1199 O SER A 154 41.149 114.754 27.404 1.00 23.49 O ATOM 1200 CB SER A 154 38.769 112.848 27.578 1.00 23.24 C ATOM 1201 OG SER A 154 39.336 111.585 27.214 1.00 23.16 O ATOM 0 H SER A 154 38.263 112.774 25.100 1.00 21.48 H new ATOM 0 HA SER A 154 38.657 114.749 26.849 1.00 23.28 H new ATOM 0 HB2 SER A 154 39.116 113.121 28.442 1.00 23.24 H new ATOM 0 HB3 SER A 154 37.808 112.755 27.675 1.00 23.24 H new ATOM 0 HG SER A 154 38.789 111.159 26.740 1.00 23.16 H new ATOM 1202 N ASN A 155 41.204 113.877 25.315 1.00 19.22 N ATOM 1203 CA ASN A 155 42.637 114.184 25.039 1.00 19.49 C ATOM 1204 C ASN A 155 42.798 115.392 24.114 1.00 19.88 C ATOM 1205 O ASN A 155 43.915 115.579 23.522 1.00 20.89 O ATOM 1206 CB ASN A 155 43.308 112.921 24.504 1.00 20.69 C ATOM 1207 CG ASN A 155 43.474 111.895 25.601 1.00 24.52 C ATOM 1208 OD1 ASN A 155 43.416 112.258 26.821 1.00 24.95 O ATOM 1209 ND2 ASN A 155 43.792 110.658 25.247 1.00 24.33 N ATOM 0 H ASN A 155 40.819 113.450 24.676 1.00 19.22 H new ATOM 0 HA ASN A 155 43.081 114.444 25.861 1.00 19.49 H new ATOM 0 HB2 ASN A 155 42.776 112.547 23.784 1.00 20.69 H new ATOM 0 HB3 ASN A 155 44.175 113.144 24.130 1.00 20.69 H new ATOM 0 HD21 ASN A 155 43.968 110.070 25.850 1.00 24.33 H new ATOM 0 HD22 ASN A 155 43.823 110.443 24.415 1.00 24.33 H new ATOM 1210 N LEU A 156 41.832 116.303 24.051 1.00 19.68 N ATOM 1211 CA LEU A 156 41.894 117.514 23.204 1.00 19.07 C ATOM 1212 C LEU A 156 41.452 118.700 24.072 1.00 24.14 C ATOM 1213 O LEU A 156 40.300 118.690 24.554 1.00 25.93 O ATOM 1214 CB LEU A 156 41.009 117.350 21.974 1.00 20.20 C ATOM 1215 CG LEU A 156 41.353 116.164 21.067 1.00 21.26 C ATOM 1216 CD1 LEU A 156 40.250 115.934 19.996 1.00 23.11 C ATOM 1217 CD2 LEU A 156 42.675 116.417 20.348 1.00 19.88 C ATOM 0 H LEU A 156 41.104 116.242 24.505 1.00 19.68 H new ATOM 0 HA LEU A 156 42.794 117.666 22.877 1.00 19.07 H new ATOM 0 HB2 LEU A 156 40.089 117.257 22.267 1.00 20.20 H new ATOM 0 HB3 LEU A 156 41.058 118.164 21.449 1.00 20.20 H new ATOM 0 HG LEU A 156 41.420 115.378 21.631 1.00 21.26 H new ATOM 0 HD11 LEU A 156 40.493 115.179 19.437 1.00 23.11 H new ATOM 0 HD12 LEU A 156 39.405 115.751 20.436 1.00 23.11 H new ATOM 0 HD13 LEU A 156 40.162 116.728 19.446 1.00 23.11 H new ATOM 0 HD21 LEU A 156 42.883 115.661 19.777 1.00 19.88 H new ATOM 0 HD22 LEU A 156 42.601 117.219 19.807 1.00 19.88 H new ATOM 0 HD23 LEU A 156 43.382 116.532 21.002 1.00 19.88 H new ATOM 1218 N ALA A 157 42.393 119.573 24.396 1.00 20.27 N ATOM 1219 CA ALA A 157 42.088 120.765 25.237 1.00 19.90 C ATOM 1220 C ALA A 157 41.609 121.882 24.333 1.00 23.40 C ATOM 1221 O ALA A 157 42.218 122.063 23.254 1.00 22.38 O ATOM 1222 CB ALA A 157 43.337 121.202 25.917 1.00 22.10 C ATOM 0 H ALA A 157 43.215 119.510 24.150 1.00 20.27 H new ATOM 0 HA ALA A 157 41.408 120.549 25.894 1.00 19.90 H new ATOM 0 HB1 ALA A 157 43.151 121.978 26.468 1.00 22.10 H new ATOM 0 HB2 ALA A 157 43.671 120.482 26.475 1.00 22.10 H new ATOM 0 HB3 ALA A 157 44.005 121.431 25.252 1.00 22.10 H new ATOM 1223 N VAL A 158 40.559 122.633 24.728 1.00 23.46 N ATOM 1224 CA VAL A 158 39.978 123.718 23.886 1.00 26.42 C ATOM 1225 C VAL A 158 39.723 124.945 24.794 1.00 28.55 C ATOM 1226 O VAL A 158 39.253 124.740 25.910 1.00 30.90 O ATOM 1227 CB VAL A 158 38.702 123.273 23.163 1.00 29.11 C ATOM 1228 CG1 VAL A 158 38.147 124.351 22.237 1.00 31.17 C ATOM 1229 CG2 VAL A 158 38.938 121.976 22.363 1.00 30.72 C ATOM 0 H VAL A 158 40.164 122.532 25.485 1.00 23.46 H new ATOM 0 HA VAL A 158 40.606 123.951 23.184 1.00 26.42 H new ATOM 0 HB VAL A 158 38.043 123.108 23.856 1.00 29.11 H new ATOM 0 HG11 VAL A 158 37.343 124.024 21.804 1.00 31.17 H new ATOM 0 HG12 VAL A 158 37.935 125.144 22.754 1.00 31.17 H new ATOM 0 HG13 VAL A 158 38.809 124.572 21.564 1.00 31.17 H new ATOM 0 HG21 VAL A 158 38.117 121.717 21.916 1.00 30.72 H new ATOM 0 HG22 VAL A 158 39.632 122.125 21.702 1.00 30.72 H new ATOM 0 HG23 VAL A 158 39.214 121.269 22.967 1.00 30.72 H new ATOM 1230 N ASN A 159 40.042 126.140 24.323 1.00 29.39 N ATOM 1231 CA ASN A 159 39.870 127.404 25.136 1.00 30.72 C ATOM 1232 C ASN A 159 38.593 128.125 24.648 1.00 37.45 C ATOM 1233 O ASN A 159 37.924 127.629 23.726 1.00 32.47 O ATOM 1234 CB ASN A 159 41.161 128.212 25.126 1.00 30.91 C ATOM 1235 CG ASN A 159 41.457 128.941 23.836 1.00 30.01 C ATOM 1236 OD1 ASN A 159 40.636 128.992 22.905 1.00 32.81 O ATOM 1237 ND2 ASN A 159 42.662 129.459 23.761 1.00 33.20 N ATOM 0 H ASN A 159 40.363 126.271 23.536 1.00 29.39 H new ATOM 0 HA ASN A 159 39.722 127.227 26.078 1.00 30.72 H new ATOM 0 HB2 ASN A 159 41.124 128.861 25.846 1.00 30.91 H new ATOM 0 HB3 ASN A 159 41.900 127.615 25.320 1.00 30.91 H new ATOM 0 HD21 ASN A 159 42.915 129.857 23.042 1.00 33.20 H new ATOM 0 HD22 ASN A 159 43.198 129.400 24.431 1.00 33.20 H new ATOM 1238 N GLU A 160 38.258 129.281 25.261 1.00 40.16 N ATOM 1239 CA GLU A 160 37.068 130.089 24.914 1.00 40.64 C ATOM 1240 C GLU A 160 37.150 130.595 23.468 1.00 38.45 C ATOM 1241 O GLU A 160 36.076 130.799 22.875 1.00 44.38 O ATOM 1242 CB GLU A 160 36.943 131.270 25.897 1.00 43.91 C ATOM 0 H GLU A 160 38.724 129.620 25.899 1.00 40.16 H new ATOM 0 HA GLU A 160 36.278 129.530 24.986 1.00 40.64 H new ATOM 1243 N ASP A 161 38.355 130.793 22.916 1.00 37.20 N ATOM 1244 CA ASP A 161 38.562 131.204 21.496 1.00 34.00 C ATOM 1245 C ASP A 161 38.581 129.976 20.532 1.00 32.24 C ATOM 1246 O ASP A 161 38.991 130.174 19.368 1.00 34.78 O ATOM 1247 CB ASP A 161 39.864 131.993 21.378 1.00 36.84 C ATOM 1248 CG ASP A 161 39.878 133.306 22.171 1.00 49.95 C ATOM 1249 OD1 ASP A 161 38.885 133.595 22.853 1.00 53.11 O ATOM 1250 OD2 ASP A 161 40.892 134.010 22.121 1.00 55.04 O ATOM 0 H ASP A 161 39.089 130.694 23.353 1.00 37.20 H new ATOM 0 HA ASP A 161 37.816 131.764 21.232 1.00 34.00 H new ATOM 0 HB2 ASP A 161 40.597 131.435 21.682 1.00 36.84 H new ATOM 0 HB3 ASP A 161 40.027 132.190 20.442 1.00 36.84 H new ATOM 1251 N CYS A 162 38.198 128.776 20.977 1.00 31.19 N ATOM 1252 CA CYS A 162 38.075 127.546 20.116 1.00 30.66 C ATOM 1253 C CYS A 162 39.470 127.068 19.653 1.00 27.83 C ATOM 1254 O CYS A 162 39.524 126.301 18.644 1.00 26.71 O ATOM 1255 CB CYS A 162 37.254 127.851 18.874 1.00 33.73 C ATOM 1256 SG CYS A 162 36.340 126.473 18.142 1.00 42.39 S ATOM 0 H CYS A 162 37.995 128.632 21.800 1.00 31.19 H new ATOM 0 HA CYS A 162 37.643 126.858 20.646 1.00 30.66 H new ATOM 0 HB2 CYS A 162 36.620 128.551 19.095 1.00 33.73 H new ATOM 0 HB3 CYS A 162 37.850 128.211 18.199 1.00 33.73 H new ATOM 0 HG CYS A 162 35.740 126.858 17.176 1.00 42.39 H new ATOM 1257 N GLU A 163 40.523 127.483 20.342 1.00 24.25 N ATOM 1258 CA GLU A 163 41.927 127.086 20.048 1.00 25.46 C ATOM 1259 C GLU A 163 42.200 125.755 20.744 1.00 25.28 C ATOM 1260 O GLU A 163 41.815 125.590 21.899 1.00 27.70 O ATOM 1261 CB GLU A 163 42.894 128.178 20.510 1.00 29.62 C ATOM 1262 CG GLU A 163 42.703 129.517 19.785 1.00 32.09 C ATOM 1263 CD GLU A 163 43.704 130.584 20.238 1.00 36.02 C ATOM 1264 OE1 GLU A 163 44.128 131.367 19.404 1.00 46.33 O ATOM 1265 OE2 GLU A 163 44.035 130.614 21.445 1.00 41.43 O ATOM 0 H GLU A 163 40.456 128.017 21.013 1.00 24.25 H new ATOM 0 HA GLU A 163 42.059 126.977 19.093 1.00 25.46 H new ATOM 0 HB2 GLU A 163 42.781 128.316 21.463 1.00 29.62 H new ATOM 0 HB3 GLU A 163 43.804 127.872 20.373 1.00 29.62 H new ATOM 0 HG2 GLU A 163 42.794 129.379 18.829 1.00 32.09 H new ATOM 0 HG3 GLU A 163 41.801 129.839 19.940 1.00 32.09 H new ATOM 1266 N LEU A 164 42.854 124.811 20.034 1.00 23.15 N ATOM 1267 CA LEU A 164 42.895 123.380 20.432 1.00 20.51 C ATOM 1268 C LEU A 164 44.343 122.902 20.565 1.00 18.35 C ATOM 1269 O LEU A 164 45.196 123.292 19.714 1.00 20.39 O ATOM 1270 CB LEU A 164 42.169 122.561 19.351 1.00 19.75 C ATOM 1271 CG LEU A 164 42.189 121.022 19.500 1.00 19.80 C ATOM 1272 CD1 LEU A 164 40.883 120.433 18.990 1.00 20.40 C ATOM 1273 CD2 LEU A 164 43.385 120.388 18.786 1.00 21.31 C ATOM 0 H LEU A 164 43.285 124.981 19.310 1.00 23.15 H new ATOM 0 HA LEU A 164 42.461 123.265 21.292 1.00 20.51 H new ATOM 0 HB2 LEU A 164 41.243 122.849 19.327 1.00 19.75 H new ATOM 0 HB3 LEU A 164 42.559 122.785 18.491 1.00 19.75 H new ATOM 0 HG LEU A 164 42.284 120.819 20.444 1.00 19.80 H new ATOM 0 HD11 LEU A 164 40.903 119.468 19.087 1.00 20.40 H new ATOM 0 HD12 LEU A 164 40.143 120.793 19.503 1.00 20.40 H new ATOM 0 HD13 LEU A 164 40.768 120.661 18.054 1.00 20.40 H new ATOM 0 HD21 LEU A 164 43.360 119.426 18.904 1.00 21.31 H new ATOM 0 HD22 LEU A 164 43.346 120.599 17.840 1.00 21.31 H new ATOM 0 HD23 LEU A 164 44.208 120.738 19.161 1.00 21.31 H new ATOM 1274 N LYS A 165 44.610 122.087 21.560 1.00 18.60 N ATOM 1275 CA LYS A 165 45.902 121.348 21.702 1.00 19.64 C ATOM 1276 C LYS A 165 45.651 119.847 21.888 1.00 20.24 C ATOM 1277 O LYS A 165 44.795 119.418 22.686 1.00 20.02 O ATOM 1278 CB LYS A 165 46.711 121.900 22.883 1.00 21.84 C ATOM 1279 CG LYS A 165 47.330 123.262 22.594 1.00 27.09 C ATOM 1280 CD LYS A 165 48.216 123.740 23.767 1.00 30.94 C ATOM 1281 CE LYS A 165 48.384 125.246 23.781 1.00 34.94 C ATOM 1282 NZ LYS A 165 49.272 125.683 22.681 1.00 38.99 N ATOM 0 H LYS A 165 44.053 121.928 22.196 1.00 18.60 H new ATOM 0 HA LYS A 165 46.414 121.476 20.888 1.00 19.64 H new ATOM 0 HB2 LYS A 165 46.134 121.971 23.659 1.00 21.84 H new ATOM 0 HB3 LYS A 165 47.415 121.272 23.109 1.00 21.84 H new ATOM 0 HG2 LYS A 165 47.862 123.212 21.784 1.00 27.09 H new ATOM 0 HG3 LYS A 165 46.627 123.911 22.432 1.00 27.09 H new ATOM 0 HD2 LYS A 165 47.822 123.452 24.606 1.00 30.94 H new ATOM 0 HD3 LYS A 165 49.088 123.320 23.704 1.00 30.94 H new ATOM 0 HE2 LYS A 165 47.518 125.674 23.693 1.00 34.94 H new ATOM 0 HE3 LYS A 165 48.754 125.527 24.633 1.00 34.94 H new ATOM 0 HZ1 LYS A 165 49.406 126.561 22.739 1.00 38.99 H new ATOM 0 HZ2 LYS A 165 50.052 125.259 22.743 1.00 38.99 H new ATOM 0 HZ3 LYS A 165 48.892 125.492 21.899 1.00 38.99 H new ATOM 1283 N ILE A 166 46.468 119.030 21.223 1.00 18.09 N ATOM 1284 CA ILE A 166 46.504 117.566 21.434 1.00 17.73 C ATOM 1285 C ILE A 166 47.304 117.234 22.709 1.00 19.15 C ATOM 1286 O ILE A 166 48.446 117.654 22.806 1.00 20.04 O ATOM 1287 CB ILE A 166 47.092 116.889 20.175 1.00 17.64 C ATOM 1288 CG1 ILE A 166 46.204 117.101 18.939 1.00 18.35 C ATOM 1289 CG2 ILE A 166 47.314 115.422 20.466 1.00 18.06 C ATOM 1290 CD1 ILE A 166 46.877 116.696 17.570 1.00 18.58 C ATOM 0 H ILE A 166 47.025 119.306 20.629 1.00 18.09 H new ATOM 0 HA ILE A 166 45.607 117.222 21.567 1.00 17.73 H new ATOM 0 HB ILE A 166 47.943 117.303 19.962 1.00 17.64 H new ATOM 0 HG12 ILE A 166 45.388 116.588 19.049 1.00 18.35 H new ATOM 0 HG13 ILE A 166 45.947 118.035 18.896 1.00 18.35 H new ATOM 0 HG21 ILE A 166 47.683 114.988 19.681 1.00 18.06 H new ATOM 0 HG22 ILE A 166 47.933 115.329 21.207 1.00 18.06 H new ATOM 0 HG23 ILE A 166 46.469 115.006 20.697 1.00 18.06 H new ATOM 0 HD11 ILE A 166 46.256 116.859 16.843 1.00 18.58 H new ATOM 0 HD12 ILE A 166 47.679 117.225 17.434 1.00 18.58 H new ATOM 0 HD13 ILE A 166 47.111 115.755 17.590 1.00 18.58 H new ATOM 1291 N LEU A 167 46.777 116.401 23.605 1.00 20.75 N ATOM 1292 CA LEU A 167 47.614 115.919 24.735 1.00 22.50 C ATOM 1293 C LEU A 167 47.566 114.404 24.930 1.00 21.66 C ATOM 1294 O LEU A 167 46.896 113.681 24.151 1.00 21.74 O ATOM 1295 CB LEU A 167 47.194 116.630 26.004 1.00 30.27 C ATOM 1296 CG LEU A 167 45.720 116.471 26.242 1.00 29.27 C ATOM 1297 CD1 LEU A 167 45.390 115.790 27.543 1.00 42.45 C ATOM 1298 CD2 LEU A 167 45.078 117.830 26.119 1.00 39.00 C ATOM 0 H LEU A 167 45.969 116.106 23.591 1.00 20.75 H new ATOM 0 HA LEU A 167 48.536 116.128 24.518 1.00 22.50 H new ATOM 0 HB2 LEU A 167 47.688 116.273 26.758 1.00 30.27 H new ATOM 0 HB3 LEU A 167 47.416 117.572 25.940 1.00 30.27 H new ATOM 0 HG LEU A 167 45.357 115.874 25.569 1.00 29.27 H new ATOM 0 HD11 LEU A 167 44.427 115.719 27.636 1.00 42.45 H new ATOM 0 HD12 LEU A 167 45.782 114.903 27.553 1.00 42.45 H new ATOM 0 HD13 LEU A 167 45.748 116.309 28.280 1.00 42.45 H new ATOM 0 HD21 LEU A 167 44.123 117.752 26.269 1.00 39.00 H new ATOM 0 HD22 LEU A 167 45.461 118.430 26.778 1.00 39.00 H new ATOM 0 HD23 LEU A 167 45.237 118.184 25.230 1.00 39.00 H new ATOM 1299 N ASP A 168 48.222 113.929 26.010 1.00 23.64 N ATOM 1300 CA ASP A 168 48.113 112.538 26.530 1.00 22.67 C ATOM 1301 C ASP A 168 48.375 111.511 25.414 1.00 25.41 C ATOM 1302 O ASP A 168 47.509 110.660 25.116 1.00 24.70 O ATOM 1303 CB ASP A 168 46.759 112.227 27.160 1.00 26.16 C ATOM 1304 CG ASP A 168 46.541 112.814 28.534 1.00 32.63 C ATOM 1305 OD1 ASP A 168 47.459 113.506 29.049 1.00 31.45 O ATOM 1306 OD2 ASP A 168 45.474 112.500 29.127 1.00 35.01 O ATOM 0 H ASP A 168 48.757 114.418 26.474 1.00 23.64 H new ATOM 0 HA ASP A 168 48.788 112.472 27.223 1.00 22.67 H new ATOM 0 HB2 ASP A 168 46.061 112.553 26.570 1.00 26.16 H new ATOM 0 HB3 ASP A 168 46.657 111.264 27.215 1.00 26.16 H new ATOM 1307 N PHE A 169 49.568 111.571 24.854 1.00 21.97 N ATOM 1308 CA PHE A 169 50.043 110.611 23.839 1.00 23.89 C ATOM 1309 C PHE A 169 49.954 109.192 24.426 1.00 26.77 C ATOM 1310 O PHE A 169 50.156 108.990 25.662 1.00 24.44 O ATOM 1311 CB PHE A 169 51.494 110.937 23.472 1.00 24.75 C ATOM 1312 CG PHE A 169 51.613 112.101 22.523 1.00 25.82 C ATOM 1313 CD1 PHE A 169 51.451 113.405 22.964 1.00 26.75 C ATOM 1314 CD2 PHE A 169 51.887 111.884 21.192 1.00 23.52 C ATOM 1315 CE1 PHE A 169 51.479 114.462 22.063 1.00 29.63 C ATOM 1316 CE2 PHE A 169 51.973 112.926 20.300 1.00 24.68 C ATOM 1317 CZ PHE A 169 51.788 114.223 20.741 1.00 26.34 C ATOM 0 H PHE A 169 50.146 112.178 25.048 1.00 21.97 H new ATOM 0 HA PHE A 169 49.496 110.668 23.040 1.00 23.89 H new ATOM 0 HB2 PHE A 169 51.991 111.134 24.282 1.00 24.75 H new ATOM 0 HB3 PHE A 169 51.904 110.155 23.070 1.00 24.75 H new ATOM 0 HD1 PHE A 169 51.323 113.574 23.870 1.00 26.75 H new ATOM 0 HD2 PHE A 169 52.017 111.014 20.890 1.00 23.52 H new ATOM 0 HE1 PHE A 169 51.290 115.326 22.350 1.00 29.63 H new ATOM 0 HE2 PHE A 169 52.155 112.759 19.403 1.00 24.68 H new ATOM 0 HZ PHE A 169 51.872 114.933 20.147 1.00 26.34 H new ATOM 1318 N GLY A 170 49.676 108.206 23.582 1.00 24.30 N ATOM 1319 CA GLY A 170 49.674 106.794 24.021 1.00 30.52 C ATOM 1320 C GLY A 170 51.099 106.348 24.290 1.00 35.42 C ATOM 1321 O GLY A 170 51.940 106.353 23.363 1.00 36.65 O ATOM 0 H GLY A 170 49.485 108.322 22.751 1.00 24.30 H new ATOM 0 HA2 GLY A 170 49.137 106.695 24.822 1.00 30.52 H new ATOM 0 HA3 GLY A 170 49.272 106.233 23.339 1.00 30.52 H new ATOM 1322 N LEU A 171 51.389 106.010 25.547 0.50 36.14 N ATOM 1323 CA LEU A 171 52.722 105.522 25.990 0.50 44.10 C ATOM 1324 C LEU A 171 52.668 103.997 26.132 0.50 50.69 C ATOM 1325 O LEU A 171 53.561 103.438 26.799 0.50 55.56 O ATOM 1326 CB LEU A 171 53.084 106.202 27.310 0.50 45.54 C ATOM 1327 CG LEU A 171 52.934 107.721 27.311 0.50 46.09 C ATOM 1328 CD1 LEU A 171 53.173 108.285 28.702 0.50 47.69 C ATOM 1329 CD2 LEU A 171 53.868 108.366 26.300 0.50 45.69 C ATOM 0 H LEU A 171 50.814 106.055 26.185 0.50 36.14 H new ATOM 0 HA LEU A 171 53.408 105.741 25.340 0.50 44.10 H new ATOM 0 HB2 LEU A 171 52.525 105.834 28.012 0.50 45.54 H new ATOM 0 HB3 LEU A 171 54.002 105.980 27.532 0.50 45.54 H new ATOM 0 HG LEU A 171 52.023 107.930 27.050 0.50 46.09 H new ATOM 0 HD11 LEU A 171 53.073 109.250 28.682 0.50 47.69 H new ATOM 0 HD12 LEU A 171 52.528 107.907 29.320 0.50 47.69 H new ATOM 0 HD13 LEU A 171 54.070 108.059 28.993 0.50 47.69 H new ATOM 0 HD21 LEU A 171 53.753 109.329 26.321 0.50 45.69 H new ATOM 0 HD22 LEU A 171 54.786 108.146 26.521 0.50 45.69 H new ATOM 0 HD23 LEU A 171 53.662 108.035 25.412 0.50 45.69 H new ATOM 1330 N ALA A 172 51.670 103.381 25.483 0.50 58.01 N ATOM 1331 CA ALA A 172 51.384 101.924 25.444 0.50 62.34 C ATOM 1332 C ALA A 172 50.822 101.485 26.801 0.50 63.71 C ATOM 1333 O ALA A 172 51.112 100.353 27.229 0.50 65.38 O ATOM 1334 CB ALA A 172 52.624 101.148 25.065 0.50 62.65 C ATOM 0 H ALA A 172 51.100 103.829 25.020 0.50 58.01 H new ATOM 0 HA ALA A 172 50.718 101.738 24.764 0.50 62.34 H new ATOM 0 HB1 ALA A 172 52.419 100.200 25.044 0.50 62.65 H new ATOM 0 HB2 ALA A 172 52.928 101.432 24.189 0.50 62.65 H new ATOM 0 HB3 ALA A 172 53.322 101.313 25.718 0.50 62.65 H new ATOM 1335 N ARG A 173 50.007 102.350 27.414 0.50 67.50 N ATOM 1336 CA ARG A 173 49.599 102.283 28.846 0.50 68.99 C ATOM 1337 C ARG A 173 48.371 101.381 29.041 0.50 68.91 C ATOM 1338 O ARG A 173 48.338 100.655 30.055 0.50 67.62 O ATOM 1339 CB ARG A 173 49.282 103.689 29.365 0.50 67.37 C ATOM 0 H ARG A 173 49.659 103.019 27.001 0.50 67.50 H new ATOM 0 HA ARG A 173 50.339 101.904 29.346 0.50 68.99 H new ATOM 1340 N HIS A 174 47.397 101.436 28.126 0.50 67.29 N ATOM 1341 CA HIS A 174 46.016 100.919 28.339 0.50 64.11 C ATOM 1342 C HIS A 174 46.006 99.393 28.515 0.50 60.78 C ATOM 1343 O HIS A 174 46.641 98.678 27.714 0.50 61.37 O ATOM 1344 CB HIS A 174 45.065 101.393 27.232 0.50 63.63 C ATOM 1345 CG HIS A 174 44.599 102.795 27.440 0.50 63.42 C ATOM 1346 ND1 HIS A 174 43.752 103.329 28.349 0.50 61.02 N flip ATOM 1347 CD2 HIS A 174 45.055 103.846 26.670 0.50 63.13 C flip ATOM 1348 CE1 HIS A 174 43.692 104.675 28.112 0.50 60.33 C flip ATOM 1349 NE2 HIS A 174 44.496 104.963 27.086 0.50 61.02 N flip ATOM 0 H HIS A 174 47.513 101.780 27.346 0.50 67.29 H new ATOM 0 HA HIS A 174 45.683 101.293 29.170 0.50 64.11 H new ATOM 0 HB2 HIS A 174 45.514 101.329 26.375 0.50 63.63 H new ATOM 0 HB3 HIS A 174 44.297 100.802 27.195 0.50 63.63 H new ATOM 0 HD2 HIS A 174 45.661 103.776 25.968 0.50 63.13 H new ATOM 0 HE1 HIS A 174 43.177 105.287 28.586 0.50 60.33 H new ATOM 0 HE2 HIS A 174 44.627 105.745 26.753 0.50 61.02 H new ATOM 1350 N THR A 175 45.267 98.945 29.533 1.00 55.59 N ATOM 1351 CA THR A 175 45.118 97.529 29.961 1.00 54.46 C ATOM 1352 C THR A 175 43.868 96.907 29.313 1.00 49.81 C ATOM 1353 O THR A 175 43.018 97.661 28.797 1.00 44.03 O ATOM 1354 CB THR A 175 45.083 97.513 31.494 1.00 52.60 C ATOM 1355 OG1 THR A 175 45.556 96.248 31.944 1.00 66.17 O ATOM 1356 CG2 THR A 175 43.722 97.810 32.088 1.00 48.58 C ATOM 0 H THR A 175 44.810 99.482 30.026 1.00 55.59 H new ATOM 0 HA THR A 175 45.864 96.983 29.666 1.00 54.46 H new ATOM 0 HB THR A 175 45.656 98.232 31.801 1.00 52.60 H new ATOM 0 HG1 THR A 175 45.543 96.226 32.784 1.00 66.17 H new ATOM 0 HG21 THR A 175 43.778 97.782 33.056 1.00 48.58 H new ATOM 0 HG22 THR A 175 43.431 98.692 31.807 1.00 48.58 H new ATOM 0 HG23 THR A 175 43.084 97.147 31.782 1.00 48.58 H new ATOM 1357 N ASP A 176 43.750 95.577 29.381 1.00 55.32 N ATOM 1358 CA ASP A 176 42.622 94.793 28.798 1.00 49.92 C ATOM 1359 C ASP A 176 41.332 95.197 29.515 1.00 48.24 C ATOM 1360 O ASP A 176 40.316 95.391 28.801 1.00 45.69 O ATOM 1361 CB ASP A 176 42.865 93.272 28.837 1.00 51.17 C ATOM 1362 CG ASP A 176 43.888 92.742 27.826 1.00 58.49 C ATOM 1363 OD1 ASP A 176 44.166 93.443 26.822 1.00 59.48 O ATOM 1364 OD2 ASP A 176 44.396 91.614 28.039 1.00 62.39 O ATOM 0 H ASP A 176 44.333 95.083 29.775 1.00 55.32 H new ATOM 0 HA ASP A 176 42.547 95.004 27.854 1.00 49.92 H new ATOM 0 HB2 ASP A 176 43.160 93.030 29.729 1.00 51.17 H new ATOM 0 HB3 ASP A 176 42.020 92.821 28.685 1.00 51.17 H new ATOM 1365 N ASP A 177 41.373 95.356 30.843 1.00 40.46 N ATOM 1366 CA ASP A 177 40.210 95.798 31.666 1.00 42.60 C ATOM 1367 C ASP A 177 39.754 97.160 31.140 1.00 42.57 C ATOM 1368 O ASP A 177 38.551 97.321 30.928 1.00 38.41 O ATOM 1369 CB ASP A 177 40.501 95.923 33.171 1.00 44.74 C ATOM 0 H ASP A 177 42.082 95.211 31.307 1.00 40.46 H new ATOM 0 HA ASP A 177 39.529 95.112 31.582 1.00 42.60 H new ATOM 1370 N GLU A 178 40.686 98.092 30.887 1.00 38.09 N ATOM 1371 CA GLU A 178 40.325 99.482 30.490 1.00 39.43 C ATOM 1372 C GLU A 178 39.571 99.496 29.139 1.00 36.45 C ATOM 1373 O GLU A 178 38.750 100.441 28.975 1.00 34.66 O ATOM 1374 CB GLU A 178 41.563 100.382 30.461 1.00 44.80 C ATOM 1375 CG GLU A 178 41.956 100.879 31.842 1.00 55.98 C ATOM 1376 CD GLU A 178 43.399 101.346 31.932 1.00 67.36 C ATOM 1377 OE1 GLU A 178 44.132 101.233 30.914 1.00 65.70 O ATOM 1378 OE2 GLU A 178 43.785 101.832 33.012 1.00 84.27 O ATOM 0 H GLU A 178 41.532 97.948 30.937 1.00 38.09 H new ATOM 0 HA GLU A 178 39.722 99.841 31.159 1.00 39.43 H new ATOM 0 HB2 GLU A 178 42.306 99.893 30.074 1.00 44.80 H new ATOM 0 HB3 GLU A 178 41.392 101.143 29.884 1.00 44.80 H new ATOM 0 HG2 GLU A 178 41.371 101.611 32.093 1.00 55.98 H new ATOM 0 HG3 GLU A 178 41.813 100.168 32.486 1.00 55.98 H new ATOM 1379 N MET A 179 39.823 98.531 28.233 1.00 30.94 N ATOM 1380 CA MET A 179 39.232 98.498 26.867 1.00 28.95 C ATOM 1381 C MET A 179 37.962 97.619 26.815 1.00 24.88 C ATOM 1382 O MET A 179 37.426 97.371 25.702 1.00 24.69 O ATOM 1383 CB MET A 179 40.260 97.956 25.874 1.00 35.21 C ATOM 1384 CG MET A 179 41.409 98.895 25.630 1.00 42.28 C ATOM 1385 SD MET A 179 40.795 100.309 24.673 1.00 46.50 S ATOM 1386 CE MET A 179 42.325 101.248 24.570 1.00 52.68 C ATOM 0 H MET A 179 40.347 97.868 28.393 1.00 30.94 H new ATOM 0 HA MET A 179 38.983 99.405 26.631 1.00 28.95 H new ATOM 0 HB2 MET A 179 40.606 97.112 26.205 1.00 35.21 H new ATOM 0 HB3 MET A 179 39.818 97.770 25.031 1.00 35.21 H new ATOM 0 HG2 MET A 179 41.785 99.195 26.472 1.00 42.28 H new ATOM 0 HG3 MET A 179 42.119 98.443 25.147 1.00 42.28 H new ATOM 0 HE1 MET A 179 42.122 102.181 24.398 1.00 52.68 H new ATOM 0 HE2 MET A 179 42.808 101.172 25.408 1.00 52.68 H new ATOM 0 HE3 MET A 179 42.872 100.898 23.849 1.00 52.68 H new ATOM 1387 N THR A 180 37.495 97.052 27.938 1.00 22.91 N ATOM 1388 CA THR A 180 36.340 96.104 27.999 1.00 21.03 C ATOM 1389 C THR A 180 35.001 96.831 28.151 1.00 20.52 C ATOM 1390 O THR A 180 34.845 97.661 29.081 1.00 21.69 O ATOM 1391 CB THR A 180 36.504 95.079 29.159 1.00 25.63 C ATOM 1392 OG1 THR A 180 37.748 94.408 28.934 1.00 28.66 O ATOM 1393 CG2 THR A 180 35.362 94.094 29.263 1.00 24.34 C ATOM 0 H THR A 180 37.843 97.205 28.709 1.00 22.91 H new ATOM 0 HA THR A 180 36.337 95.630 27.153 1.00 21.03 H new ATOM 0 HB THR A 180 36.495 95.549 30.007 1.00 25.63 H new ATOM 0 HG1 THR A 180 38.382 94.946 29.053 1.00 28.66 H new ATOM 0 HG21 THR A 180 35.525 93.486 30.001 1.00 24.34 H new ATOM 0 HG22 THR A 180 34.533 94.574 29.416 1.00 24.34 H new ATOM 0 HG23 THR A 180 35.294 93.588 28.438 1.00 24.34 H new ATOM 1394 N GLY A 181 34.015 96.431 27.345 1.00 21.95 N ATOM 1395 CA GLY A 181 32.602 96.787 27.502 1.00 19.92 C ATOM 1396 C GLY A 181 32.199 98.142 26.935 1.00 20.73 C ATOM 1397 O GLY A 181 32.715 98.546 25.863 1.00 20.11 O ATOM 0 H GLY A 181 34.157 95.925 26.665 1.00 21.95 H new ATOM 0 HA2 GLY A 181 32.063 96.102 27.076 1.00 19.92 H new ATOM 0 HA3 GLY A 181 32.384 96.772 28.447 1.00 19.92 H new ATOM 1398 N TYR A 182 31.241 98.838 27.571 1.00 20.78 N ATOM 1399 CA TYR A 182 30.629 100.080 27.012 1.00 20.73 C ATOM 1400 C TYR A 182 31.486 101.254 27.468 1.00 22.49 C ATOM 1401 O TYR A 182 31.167 101.901 28.490 1.00 22.98 O ATOM 1402 CB TYR A 182 29.159 100.172 27.418 1.00 20.97 C ATOM 1403 CG TYR A 182 28.383 101.299 26.778 1.00 21.54 C ATOM 1404 CD1 TYR A 182 28.028 101.275 25.436 1.00 21.18 C ATOM 1405 CD2 TYR A 182 27.940 102.377 27.546 1.00 21.45 C ATOM 1406 CE1 TYR A 182 27.318 102.327 24.851 1.00 21.31 C ATOM 1407 CE2 TYR A 182 27.227 103.421 26.976 1.00 23.06 C ATOM 1408 CZ TYR A 182 26.871 103.373 25.642 1.00 21.99 C ATOM 1409 OH TYR A 182 26.162 104.396 25.062 1.00 25.98 O ATOM 0 H TYR A 182 30.923 98.610 28.337 1.00 20.78 H new ATOM 0 HA TYR A 182 30.618 100.081 26.042 1.00 20.73 H new ATOM 0 HB2 TYR A 182 28.724 99.333 27.197 1.00 20.97 H new ATOM 0 HB3 TYR A 182 29.110 100.272 28.382 1.00 20.97 H new ATOM 0 HD1 TYR A 182 28.268 100.543 24.915 1.00 21.18 H new ATOM 0 HD2 TYR A 182 28.126 102.396 28.457 1.00 21.45 H new ATOM 0 HE1 TYR A 182 27.147 102.325 23.937 1.00 21.31 H new ATOM 0 HE2 TYR A 182 26.988 104.156 27.493 1.00 23.06 H new ATOM 0 HH TYR A 182 25.834 104.885 25.661 1.00 25.98 H new ATOM 1410 N VAL A 183 32.618 101.459 26.800 1.00 19.43 N ATOM 1411 CA VAL A 183 33.673 102.396 27.255 1.00 20.61 C ATOM 1412 C VAL A 183 34.227 103.307 26.147 1.00 20.40 C ATOM 1413 O VAL A 183 34.674 102.813 25.070 1.00 20.60 O ATOM 1414 CB VAL A 183 34.816 101.702 28.007 1.00 23.24 C ATOM 1415 CG1 VAL A 183 34.332 101.190 29.345 1.00 25.56 C ATOM 1416 CG2 VAL A 183 35.517 100.606 27.184 1.00 23.73 C ATOM 0 H VAL A 183 32.807 101.060 26.062 1.00 19.43 H new ATOM 0 HA VAL A 183 33.212 102.972 27.884 1.00 20.61 H new ATOM 0 HB VAL A 183 35.499 102.372 28.164 1.00 23.24 H new ATOM 0 HG11 VAL A 183 35.064 100.754 29.809 1.00 25.56 H new ATOM 0 HG12 VAL A 183 34.008 101.933 29.878 1.00 25.56 H new ATOM 0 HG13 VAL A 183 33.613 100.554 29.207 1.00 25.56 H new ATOM 0 HG21 VAL A 183 36.226 100.208 27.713 1.00 23.73 H new ATOM 0 HG22 VAL A 183 34.873 99.923 26.940 1.00 23.73 H new ATOM 0 HG23 VAL A 183 35.894 100.996 26.380 1.00 23.73 H new ATOM 1417 N ALA A 184 34.325 104.614 26.460 1.00 22.39 N ATOM 1418 CA ALA A 184 34.875 105.628 25.523 1.00 22.68 C ATOM 1419 C ALA A 184 36.330 105.374 25.190 1.00 26.04 C ATOM 1420 O ALA A 184 36.767 105.834 24.126 1.00 27.97 O ATOM 1421 CB ALA A 184 34.666 107.041 26.069 1.00 24.56 C ATOM 0 H ALA A 184 34.077 104.939 27.217 1.00 22.39 H new ATOM 0 HA ALA A 184 34.383 105.548 24.691 1.00 22.68 H new ATOM 0 HB1 ALA A 184 35.031 107.687 25.444 1.00 24.56 H new ATOM 0 HB2 ALA A 184 33.717 107.206 26.186 1.00 24.56 H new ATOM 0 HB3 ALA A 184 35.117 107.128 26.923 1.00 24.56 H new ATOM 1422 N THR A 185 37.071 104.650 26.041 1.00 24.13 N ATOM 1423 CA THR A 185 38.487 104.277 25.802 1.00 26.58 C ATOM 1424 C THR A 185 38.632 103.440 24.520 1.00 27.61 C ATOM 1425 O THR A 185 39.791 103.376 24.055 1.00 36.64 O ATOM 1426 CB THR A 185 39.040 103.480 26.995 1.00 32.52 C ATOM 1427 OG1 THR A 185 38.128 102.411 27.250 1.00 33.54 O ATOM 1428 CG2 THR A 185 39.177 104.317 28.251 1.00 38.52 C ATOM 0 H THR A 185 36.764 104.354 26.788 1.00 24.13 H new ATOM 0 HA THR A 185 38.993 105.098 25.697 1.00 26.58 H new ATOM 0 HB THR A 185 39.929 103.165 26.768 1.00 32.52 H new ATOM 0 HG1 THR A 185 38.467 101.880 27.806 1.00 33.54 H new ATOM 0 HG21 THR A 185 39.528 103.768 28.969 1.00 38.52 H new ATOM 0 HG22 THR A 185 39.783 105.056 28.083 1.00 38.52 H new ATOM 0 HG23 THR A 185 38.308 104.664 28.505 1.00 38.52 H new ATOM 1429 N ARG A 186 37.554 102.818 23.966 1.00 20.98 N ATOM 1430 CA ARG A 186 37.636 101.961 22.750 1.00 18.33 C ATOM 1431 C ARG A 186 36.871 102.557 21.558 1.00 18.40 C ATOM 1432 O ARG A 186 37.186 102.176 20.420 1.00 18.02 O ATOM 1433 CB ARG A 186 37.099 100.535 23.008 1.00 17.71 C ATOM 1434 CG ARG A 186 37.554 99.452 22.032 1.00 19.26 C ATOM 1435 CD ARG A 186 36.929 98.080 22.266 1.00 19.17 C ATOM 1436 NE ARG A 186 35.518 98.210 22.130 1.00 18.64 N ATOM 1437 CZ ARG A 186 34.599 98.261 23.109 1.00 19.12 C ATOM 1438 NH1 ARG A 186 34.897 97.783 24.320 1.00 20.30 N ATOM 1439 NH2 ARG A 186 33.380 98.651 22.817 1.00 18.10 N ATOM 0 H ARG A 186 36.759 102.884 24.287 1.00 20.98 H new ATOM 0 HA ARG A 186 38.580 101.919 22.532 1.00 18.33 H new ATOM 0 HB2 ARG A 186 37.362 100.268 23.903 1.00 17.71 H new ATOM 0 HB3 ARG A 186 36.130 100.568 22.995 1.00 17.71 H new ATOM 0 HG2 ARG A 186 37.346 99.739 21.129 1.00 19.26 H new ATOM 0 HG3 ARG A 186 38.519 99.368 22.088 1.00 19.26 H new ATOM 0 HD2 ARG A 186 37.273 97.437 21.627 1.00 19.17 H new ATOM 0 HD3 ARG A 186 37.156 97.750 23.150 1.00 19.17 H new ATOM 0 HE ARG A 186 35.218 98.262 21.326 1.00 18.64 H new ATOM 0 HH11 ARG A 186 35.673 97.445 24.470 1.00 20.30 H new ATOM 0 HH12 ARG A 186 34.312 97.813 24.950 1.00 20.30 H new ATOM 0 HH21 ARG A 186 33.180 98.869 22.009 1.00 18.10 H new ATOM 0 HH22 ARG A 186 32.781 98.689 23.433 1.00 18.10 H new ATOM 1440 N TRP A 187 35.902 103.446 21.783 1.00 17.68 N ATOM 1441 CA TRP A 187 34.971 103.885 20.705 1.00 15.29 C ATOM 1442 C TRP A 187 35.677 104.641 19.583 1.00 16.11 C ATOM 1443 O TRP A 187 35.053 104.676 18.464 1.00 16.64 O ATOM 1444 CB TRP A 187 33.856 104.785 21.280 1.00 16.87 C ATOM 1445 CG TRP A 187 32.910 104.123 22.243 1.00 16.39 C ATOM 1446 CD1 TRP A 187 32.664 102.784 22.347 1.00 16.09 C ATOM 1447 CD2 TRP A 187 32.125 104.769 23.282 1.00 17.20 C ATOM 1448 NE1 TRP A 187 31.770 102.539 23.363 1.00 16.79 N ATOM 1449 CE2 TRP A 187 31.425 103.726 23.946 1.00 16.94 C ATOM 1450 CE3 TRP A 187 31.936 106.079 23.682 1.00 17.89 C ATOM 1451 CZ2 TRP A 187 30.502 103.984 24.984 1.00 20.50 C ATOM 1452 CZ3 TRP A 187 31.056 106.344 24.721 1.00 20.38 C ATOM 1453 CH2 TRP A 187 30.372 105.301 25.367 1.00 21.84 C ATOM 0 H TRP A 187 35.757 103.813 22.547 1.00 17.68 H new ATOM 0 HA TRP A 187 34.593 103.073 20.332 1.00 15.29 H new ATOM 0 HB2 TRP A 187 34.271 105.539 21.728 1.00 16.87 H new ATOM 0 HB3 TRP A 187 33.340 105.143 20.541 1.00 16.87 H new ATOM 0 HD1 TRP A 187 33.047 102.130 21.807 1.00 16.09 H new ATOM 0 HE1 TRP A 187 31.476 101.765 23.594 1.00 16.79 H new ATOM 0 HE3 TRP A 187 32.392 106.772 23.261 1.00 17.89 H new ATOM 0 HZ2 TRP A 187 30.011 103.304 25.386 1.00 20.50 H new ATOM 0 HZ3 TRP A 187 30.917 107.222 24.993 1.00 20.38 H new ATOM 0 HH2 TRP A 187 29.811 105.507 26.079 1.00 21.84 H new ATOM 1454 N TYR A 188 36.885 105.156 19.795 1.00 16.53 N ATOM 1455 CA TYR A 188 37.567 105.982 18.759 1.00 16.82 C ATOM 1456 C TYR A 188 38.692 105.152 18.102 1.00 18.52 C ATOM 1457 O TYR A 188 39.388 105.712 17.234 1.00 17.47 O ATOM 1458 CB TYR A 188 38.077 107.289 19.395 1.00 16.90 C ATOM 1459 CG TYR A 188 36.967 108.092 20.055 1.00 15.16 C ATOM 1460 CD1 TYR A 188 36.607 107.861 21.384 1.00 17.85 C ATOM 1461 CD2 TYR A 188 36.257 109.064 19.386 1.00 16.18 C ATOM 1462 CE1 TYR A 188 35.494 108.452 21.973 1.00 16.73 C ATOM 1463 CE2 TYR A 188 35.137 109.667 19.956 1.00 17.29 C ATOM 1464 CZ TYR A 188 34.735 109.353 21.241 1.00 16.90 C ATOM 1465 OH TYR A 188 33.676 110.013 21.841 1.00 19.80 O ATOM 0 H TYR A 188 37.335 105.049 20.520 1.00 16.53 H new ATOM 0 HA TYR A 188 36.947 106.232 18.056 1.00 16.82 H new ATOM 0 HB2 TYR A 188 38.756 107.080 20.055 1.00 16.90 H new ATOM 0 HB3 TYR A 188 38.502 107.832 18.713 1.00 16.90 H new ATOM 0 HD1 TYR A 188 37.132 107.289 21.896 1.00 17.85 H new ATOM 0 HD2 TYR A 188 36.531 109.324 18.536 1.00 16.18 H new ATOM 0 HE1 TYR A 188 35.261 108.245 22.849 1.00 16.73 H new ATOM 0 HE2 TYR A 188 34.653 110.290 19.464 1.00 17.29 H new ATOM 0 HH TYR A 188 33.271 110.474 21.267 1.00 19.80 H new ATOM 1466 N ARG A 189 38.905 103.890 18.490 1.00 18.50 N ATOM 1467 CA ARG A 189 40.054 103.069 17.983 1.00 18.87 C ATOM 1468 C ARG A 189 39.738 102.460 16.613 1.00 17.71 C ATOM 1469 O ARG A 189 38.620 101.980 16.360 1.00 18.94 O ATOM 1470 CB ARG A 189 40.362 101.943 18.987 1.00 23.36 C ATOM 1471 CG ARG A 189 40.804 102.510 20.327 1.00 28.87 C ATOM 1472 CD ARG A 189 41.513 101.476 21.155 1.00 44.87 C ATOM 1473 NE ARG A 189 42.959 101.637 21.148 1.00 51.13 N ATOM 1474 CZ ARG A 189 43.595 102.648 21.720 1.00 58.11 C ATOM 1475 NH1 ARG A 189 42.923 103.624 22.312 1.00 59.69 N ATOM 1476 NH2 ARG A 189 44.910 102.682 21.680 1.00 62.08 N ATOM 0 H ARG A 189 38.400 103.475 19.049 1.00 18.50 H new ATOM 0 HA ARG A 189 40.825 103.650 17.887 1.00 18.87 H new ATOM 0 HB2 ARG A 189 39.574 101.391 19.110 1.00 23.36 H new ATOM 0 HB3 ARG A 189 41.058 101.369 18.630 1.00 23.36 H new ATOM 0 HG2 ARG A 189 41.392 103.268 20.181 1.00 28.87 H new ATOM 0 HG3 ARG A 189 40.031 102.840 20.811 1.00 28.87 H new ATOM 0 HD2 ARG A 189 41.191 101.524 22.069 1.00 44.87 H new ATOM 0 HD3 ARG A 189 41.289 100.593 20.822 1.00 44.87 H new ATOM 0 HE ARG A 189 43.430 101.039 20.748 1.00 51.13 H new ATOM 0 HH11 ARG A 189 42.063 103.606 22.328 1.00 59.69 H new ATOM 0 HH12 ARG A 189 43.346 104.276 22.680 1.00 59.69 H new ATOM 0 HH21 ARG A 189 45.345 102.053 21.286 1.00 62.08 H new ATOM 0 HH22 ARG A 189 45.335 103.333 22.048 1.00 62.08 H new ATOM 1477 N ALA A 190 40.749 102.466 15.720 1.00 18.40 N ATOM 1478 CA ALA A 190 40.661 101.813 14.398 1.00 19.79 C ATOM 1479 C ALA A 190 40.464 100.300 14.559 1.00 19.80 C ATOM 1480 O ALA A 190 41.007 99.708 15.510 1.00 23.31 O ATOM 1481 CB ALA A 190 41.942 102.104 13.601 1.00 20.72 C ATOM 0 H ALA A 190 41.504 102.850 15.867 1.00 18.40 H new ATOM 0 HA ALA A 190 39.897 102.167 13.917 1.00 19.79 H new ATOM 0 HB1 ALA A 190 41.887 101.676 12.732 1.00 20.72 H new ATOM 0 HB2 ALA A 190 42.040 103.062 13.484 1.00 20.72 H new ATOM 0 HB3 ALA A 190 42.709 101.758 14.083 1.00 20.72 H new ATOM 1482 N PRO A 191 39.683 99.667 13.683 1.00 21.17 N ATOM 1483 CA PRO A 191 39.341 98.252 13.830 1.00 22.86 C ATOM 1484 C PRO A 191 40.591 97.349 13.775 1.00 22.83 C ATOM 1485 O PRO A 191 40.664 96.372 14.561 1.00 22.60 O ATOM 1486 CB PRO A 191 38.379 97.944 12.688 1.00 24.64 C ATOM 1487 CG PRO A 191 38.499 99.144 11.733 1.00 25.14 C ATOM 1488 CD PRO A 191 38.956 100.309 12.555 1.00 20.97 C ATOM 0 HA PRO A 191 38.938 98.076 14.695 1.00 22.86 H new ATOM 0 HB2 PRO A 191 38.616 97.115 12.243 1.00 24.64 H new ATOM 0 HB3 PRO A 191 37.470 97.842 13.012 1.00 24.64 H new ATOM 0 HG2 PRO A 191 39.132 98.956 11.022 1.00 25.14 H new ATOM 0 HG3 PRO A 191 37.646 99.334 11.311 1.00 25.14 H new ATOM 0 HD2 PRO A 191 39.533 100.901 12.048 1.00 20.97 H new ATOM 0 HD3 PRO A 191 38.208 100.842 12.868 1.00 20.97 H new ATOM 1489 N GLU A 192 41.600 97.715 12.994 1.00 21.85 N ATOM 1490 CA GLU A 192 42.836 96.861 12.896 1.00 24.52 C ATOM 1491 C GLU A 192 43.600 96.859 14.223 1.00 27.30 C ATOM 1492 O GLU A 192 44.312 95.838 14.508 1.00 25.97 O ATOM 1493 CB GLU A 192 43.745 97.297 11.729 1.00 23.64 C ATOM 1494 CG GLU A 192 44.346 98.681 11.862 1.00 24.11 C ATOM 1495 CD GLU A 192 43.534 99.851 11.263 1.00 19.83 C ATOM 1496 OE1 GLU A 192 42.300 99.668 11.061 1.00 21.99 O ATOM 1497 OE2 GLU A 192 44.171 100.898 11.005 1.00 21.40 O ATOM 0 H GLU A 192 41.613 98.430 12.516 1.00 21.85 H new ATOM 0 HA GLU A 192 42.550 95.953 12.709 1.00 24.52 H new ATOM 0 HB2 GLU A 192 44.466 96.654 11.642 1.00 23.64 H new ATOM 0 HB3 GLU A 192 43.231 97.261 10.907 1.00 23.64 H new ATOM 0 HG2 GLU A 192 44.486 98.861 12.805 1.00 24.11 H new ATOM 0 HG3 GLU A 192 45.220 98.673 11.442 1.00 24.11 H new ATOM 1498 N ILE A 193 43.522 97.895 15.070 1.00 22.11 N ATOM 1499 CA ILE A 193 44.234 97.855 16.382 1.00 26.15 C ATOM 1500 C ILE A 193 43.287 97.224 17.409 1.00 25.77 C ATOM 1501 O ILE A 193 43.754 96.446 18.278 1.00 26.48 O ATOM 1502 CB ILE A 193 44.867 99.205 16.797 1.00 30.55 C ATOM 1503 CG1 ILE A 193 45.626 99.116 18.125 1.00 41.44 C ATOM 1504 CG2 ILE A 193 43.886 100.356 16.810 1.00 35.04 C ATOM 1505 CD1 ILE A 193 46.594 100.291 18.337 1.00 49.35 C ATOM 0 H ILE A 193 43.078 98.616 14.920 1.00 22.11 H new ATOM 0 HA ILE A 193 45.023 97.294 16.314 1.00 26.15 H new ATOM 0 HB ILE A 193 45.513 99.399 16.100 1.00 30.55 H new ATOM 0 HG12 ILE A 193 44.989 99.091 18.856 1.00 41.44 H new ATOM 0 HG13 ILE A 193 46.123 98.284 18.154 1.00 41.44 H new ATOM 0 HG21 ILE A 193 44.344 101.169 17.077 1.00 35.04 H new ATOM 0 HG22 ILE A 193 43.512 100.473 15.923 1.00 35.04 H new ATOM 0 HG23 ILE A 193 43.172 100.166 17.439 1.00 35.04 H new ATOM 0 HD11 ILE A 193 47.047 100.187 19.188 1.00 49.35 H new ATOM 0 HD12 ILE A 193 47.249 100.304 17.622 1.00 49.35 H new ATOM 0 HD13 ILE A 193 46.097 101.124 18.335 1.00 49.35 H new ATOM 1506 N MET A 194 41.994 97.500 17.340 1.00 25.68 N ATOM 1507 CA MET A 194 41.017 97.001 18.342 1.00 25.54 C ATOM 1508 C MET A 194 41.029 95.464 18.351 1.00 25.99 C ATOM 1509 O MET A 194 40.917 94.848 19.461 1.00 25.44 O ATOM 1510 CB MET A 194 39.611 97.506 17.963 1.00 27.25 C ATOM 1511 CG MET A 194 38.555 97.021 18.864 1.00 26.17 C ATOM 1512 SD MET A 194 36.920 97.802 18.556 1.00 26.08 S ATOM 1513 CE MET A 194 36.390 96.984 17.043 1.00 25.80 C ATOM 0 H MET A 194 41.643 97.980 16.718 1.00 25.68 H new ATOM 0 HA MET A 194 41.255 97.326 19.224 1.00 25.54 H new ATOM 0 HB2 MET A 194 39.611 98.476 17.968 1.00 27.25 H new ATOM 0 HB3 MET A 194 39.407 97.227 17.057 1.00 27.25 H new ATOM 0 HG2 MET A 194 38.471 96.060 18.765 1.00 26.17 H new ATOM 0 HG3 MET A 194 38.819 97.190 19.782 1.00 26.17 H new ATOM 0 HE1 MET A 194 35.521 97.323 16.779 1.00 25.80 H new ATOM 0 HE2 MET A 194 37.033 97.159 16.338 1.00 25.80 H new ATOM 0 HE3 MET A 194 36.331 96.028 17.196 1.00 25.80 H new ATOM 1514 N LEU A 195 41.212 94.854 17.171 1.00 24.82 N ATOM 1515 CA LEU A 195 41.123 93.390 16.991 1.00 25.50 C ATOM 1516 C LEU A 195 42.493 92.801 16.615 1.00 25.59 C ATOM 1517 O LEU A 195 42.503 91.599 16.272 1.00 27.96 O ATOM 1518 CB LEU A 195 40.076 93.080 15.921 1.00 26.69 C ATOM 1519 CG LEU A 195 38.669 93.565 16.251 1.00 33.71 C ATOM 1520 CD1 LEU A 195 37.684 93.414 15.094 1.00 34.99 C ATOM 1521 CD2 LEU A 195 38.181 92.807 17.443 1.00 29.95 C ATOM 0 H LEU A 195 41.393 95.280 16.446 1.00 24.82 H new ATOM 0 HA LEU A 195 40.853 92.979 17.827 1.00 25.50 H new ATOM 0 HB2 LEU A 195 40.356 93.483 15.084 1.00 26.69 H new ATOM 0 HB3 LEU A 195 40.050 92.121 15.779 1.00 26.69 H new ATOM 0 HG LEU A 195 38.719 94.516 16.433 1.00 33.71 H new ATOM 0 HD11 LEU A 195 36.812 93.739 15.367 1.00 34.99 H new ATOM 0 HD12 LEU A 195 37.997 93.928 14.333 1.00 34.99 H new ATOM 0 HD13 LEU A 195 37.617 92.479 14.846 1.00 34.99 H new ATOM 0 HD21 LEU A 195 37.285 93.102 17.670 1.00 29.95 H new ATOM 0 HD22 LEU A 195 38.167 91.859 17.240 1.00 29.95 H new ATOM 0 HD23 LEU A 195 38.773 92.968 18.194 1.00 29.95 H new ATOM 1522 N ASN A 196 43.579 93.564 16.708 1.00 26.62 N ATOM 1523 CA ASN A 196 44.950 93.038 16.406 1.00 28.60 C ATOM 1524 C ASN A 196 44.945 92.295 15.048 1.00 30.27 C ATOM 1525 O ASN A 196 45.479 91.186 14.934 1.00 33.58 O ATOM 1526 CB ASN A 196 45.394 92.170 17.597 1.00 35.07 C ATOM 1527 CG ASN A 196 46.877 91.864 17.638 1.00 48.33 C ATOM 1528 OD1 ASN A 196 47.700 92.650 17.166 1.00 52.15 O ATOM 1529 ND2 ASN A 196 47.222 90.699 18.177 1.00 49.75 N ATOM 0 H ASN A 196 43.563 94.391 16.943 1.00 26.62 H new ATOM 0 HA ASN A 196 45.599 93.752 16.305 1.00 28.60 H new ATOM 0 HB2 ASN A 196 45.146 92.620 18.420 1.00 35.07 H new ATOM 0 HB3 ASN A 196 44.904 91.333 17.572 1.00 35.07 H new ATOM 0 HD21 ASN A 196 48.050 90.467 18.206 1.00 49.75 H new ATOM 0 HD22 ASN A 196 46.618 90.177 18.496 1.00 49.75 H new ATOM 1530 N TRP A 197 44.490 92.916 13.967 1.00 25.44 N ATOM 1531 CA TRP A 197 44.442 92.333 12.604 1.00 25.60 C ATOM 1532 C TRP A 197 45.852 92.241 11.972 1.00 26.60 C ATOM 1533 O TRP A 197 46.058 91.352 11.136 1.00 29.44 O ATOM 1534 CB TRP A 197 43.539 93.178 11.697 1.00 27.70 C ATOM 1535 CG TRP A 197 42.063 93.000 11.865 1.00 27.43 C ATOM 1536 CD1 TRP A 197 41.435 92.045 12.600 1.00 24.88 C ATOM 1537 CD2 TRP A 197 41.018 93.758 11.191 1.00 25.56 C ATOM 1538 NE1 TRP A 197 40.068 92.154 12.448 1.00 27.01 N ATOM 1539 CE2 TRP A 197 39.797 93.193 11.596 1.00 29.12 C ATOM 1540 CE3 TRP A 197 41.020 94.838 10.303 1.00 30.67 C ATOM 1541 CZ2 TRP A 197 38.567 93.672 11.146 1.00 30.68 C ATOM 1542 CZ3 TRP A 197 39.798 95.316 9.869 1.00 29.23 C ATOM 1543 CH2 TRP A 197 38.607 94.762 10.312 1.00 29.30 C ATOM 0 H TRP A 197 44.186 93.720 13.995 1.00 25.44 H new ATOM 0 HA TRP A 197 44.082 91.436 12.686 1.00 25.60 H new ATOM 0 HB2 TRP A 197 43.750 94.113 11.846 1.00 27.70 H new ATOM 0 HB3 TRP A 197 43.765 92.979 10.775 1.00 27.70 H new ATOM 0 HD1 TRP A 197 41.864 91.411 13.128 1.00 24.88 H new ATOM 0 HE1 TRP A 197 39.481 91.652 12.826 1.00 27.01 H new ATOM 0 HE3 TRP A 197 41.816 95.222 10.014 1.00 30.67 H new ATOM 0 HZ2 TRP A 197 37.764 93.275 11.397 1.00 30.68 H new ATOM 0 HZ3 TRP A 197 39.774 96.024 9.267 1.00 29.23 H new ATOM 0 HH2 TRP A 197 37.805 95.143 10.034 1.00 29.30 H new ATOM 1544 N MET A 198 46.701 93.226 12.233 1.00 33.42 N ATOM 1545 CA MET A 198 47.963 93.410 11.467 1.00 33.42 C ATOM 1546 C MET A 198 48.845 94.411 12.218 1.00 37.10 C ATOM 1547 O MET A 198 48.332 95.113 13.093 1.00 34.39 O ATOM 1548 CB MET A 198 47.632 93.935 10.066 1.00 33.73 C ATOM 1549 CG MET A 198 46.808 95.230 10.137 1.00 36.51 C ATOM 1550 SD MET A 198 46.244 95.779 8.488 1.00 40.02 S ATOM 1551 CE MET A 198 44.849 94.707 8.216 1.00 37.56 C ATOM 0 H MET A 198 46.577 93.810 12.852 1.00 33.42 H new ATOM 0 HA MET A 198 48.435 92.567 11.379 1.00 33.42 H new ATOM 0 HB2 MET A 198 48.454 94.098 9.577 1.00 33.73 H new ATOM 0 HB3 MET A 198 47.138 93.261 9.574 1.00 33.73 H new ATOM 0 HG2 MET A 198 46.038 95.091 10.711 1.00 36.51 H new ATOM 0 HG3 MET A 198 47.342 95.930 10.544 1.00 36.51 H new ATOM 0 HE1 MET A 198 44.453 94.904 7.353 1.00 37.56 H new ATOM 0 HE2 MET A 198 45.143 93.783 8.233 1.00 37.56 H new ATOM 0 HE3 MET A 198 44.190 94.849 8.914 1.00 37.56 H new ATOM 1552 N HIS A 199 50.128 94.502 11.852 1.00 42.71 N ATOM 1553 CA HIS A 199 51.007 95.622 12.291 1.00 45.43 C ATOM 1554 C HIS A 199 50.329 96.930 11.866 1.00 43.05 C ATOM 1555 O HIS A 199 50.046 97.085 10.667 1.00 41.44 O ATOM 1556 CB HIS A 199 52.418 95.483 11.697 1.00 51.98 C ATOM 1557 CG HIS A 199 53.181 94.314 12.233 1.00 63.46 C ATOM 1558 ND1 HIS A 199 53.207 94.002 13.591 1.00 66.85 N ATOM 1559 CD2 HIS A 199 53.940 93.379 11.612 1.00 64.94 C ATOM 1560 CE1 HIS A 199 53.942 92.921 13.780 1.00 64.89 C ATOM 1561 NE2 HIS A 199 54.405 92.523 12.581 1.00 70.76 N ATOM 0 H HIS A 199 50.520 93.927 11.347 1.00 42.71 H new ATOM 0 HA HIS A 199 51.122 95.611 13.254 1.00 45.43 H new ATOM 0 HB2 HIS A 199 52.348 95.399 10.733 1.00 51.98 H new ATOM 0 HB3 HIS A 199 52.917 96.295 11.876 1.00 51.98 H new ATOM 0 HD2 HIS A 199 54.114 93.326 10.700 1.00 64.94 H new ATOM 0 HE1 HIS A 199 54.110 92.508 14.596 1.00 64.89 H new ATOM 0 HE2 HIS A 199 54.911 91.842 12.443 1.00 70.76 H new ATOM 1562 N TYR A 200 49.993 97.793 12.826 1.00 36.54 N ATOM 1563 CA TYR A 200 49.369 99.100 12.537 1.00 40.78 C ATOM 1564 C TYR A 200 50.479 100.145 12.373 1.00 41.54 C ATOM 1565 O TYR A 200 51.650 99.896 12.796 1.00 38.37 O ATOM 1566 CB TYR A 200 48.411 99.495 13.651 1.00 41.43 C ATOM 1567 CG TYR A 200 49.095 99.751 14.961 1.00 41.61 C ATOM 1568 CD1 TYR A 200 49.823 100.909 15.141 1.00 43.61 C ATOM 1569 CD2 TYR A 200 49.002 98.856 16.021 1.00 50.55 C ATOM 1570 CE1 TYR A 200 50.465 101.175 16.336 1.00 47.11 C ATOM 1571 CE2 TYR A 200 49.638 99.108 17.228 1.00 52.22 C ATOM 1572 CZ TYR A 200 50.389 100.266 17.373 1.00 57.45 C ATOM 1573 OH TYR A 200 51.049 100.574 18.530 1.00 62.12 O ATOM 0 H TYR A 200 50.118 97.643 13.664 1.00 36.54 H new ATOM 0 HA TYR A 200 48.853 99.044 11.717 1.00 40.78 H new ATOM 0 HB2 TYR A 200 47.927 100.293 13.385 1.00 41.43 H new ATOM 0 HB3 TYR A 200 47.754 98.791 13.769 1.00 41.43 H new ATOM 0 HD1 TYR A 200 49.883 101.523 14.445 1.00 43.61 H new ATOM 0 HD2 TYR A 200 48.506 98.076 15.919 1.00 50.55 H new ATOM 0 HE1 TYR A 200 50.947 101.964 16.441 1.00 47.11 H new ATOM 0 HE2 TYR A 200 49.562 98.507 17.933 1.00 52.22 H new ATOM 0 HH TYR A 200 50.936 99.958 19.090 1.00 62.12 H new ATOM 1574 N ASN A 201 50.095 101.280 11.801 1.00 33.66 N ATOM 1575 CA ASN A 201 50.945 102.469 11.576 1.00 34.58 C ATOM 1576 C ASN A 201 50.127 103.764 11.840 1.00 27.36 C ATOM 1577 O ASN A 201 49.001 103.720 12.414 1.00 24.29 O ATOM 1578 CB ASN A 201 51.559 102.396 10.168 1.00 34.84 C ATOM 1579 CG ASN A 201 50.510 102.257 9.086 1.00 38.86 C ATOM 1580 OD1 ASN A 201 49.431 102.995 9.201 1.00 45.44 O flip ATOM 1581 ND2 ASN A 201 50.650 101.442 8.166 1.00 34.24 N flip ATOM 0 H ASN A 201 49.292 101.393 11.515 1.00 33.66 H new ATOM 0 HA ASN A 201 51.685 102.488 12.202 1.00 34.58 H new ATOM 0 HB2 ASN A 201 52.084 103.195 10.005 1.00 34.84 H new ATOM 0 HB3 ASN A 201 52.168 101.643 10.123 1.00 34.84 H new ATOM 0 HD21 ASN A 201 51.368 100.971 8.114 1.00 34.24 H new ATOM 0 HD22 ASN A 201 50.030 101.347 7.578 1.00 34.24 H new ATOM 1582 N GLN A 202 50.642 104.906 11.428 1.00 27.03 N ATOM 1583 CA GLN A 202 50.067 106.240 11.763 1.00 22.98 C ATOM 1584 C GLN A 202 48.615 106.437 11.238 1.00 22.00 C ATOM 1585 O GLN A 202 47.900 107.346 11.763 1.00 18.65 O ATOM 1586 CB GLN A 202 50.970 107.355 11.249 1.00 25.14 C ATOM 1587 CG GLN A 202 51.014 107.515 9.744 1.00 23.81 C ATOM 1588 CD GLN A 202 52.087 108.500 9.285 1.00 26.85 C ATOM 1589 OE1 GLN A 202 53.152 108.601 9.894 1.00 25.22 O ATOM 1590 NE2 GLN A 202 51.809 109.217 8.219 1.00 28.48 N ATOM 0 H GLN A 202 51.347 104.951 10.937 1.00 27.03 H new ATOM 0 HA GLN A 202 50.018 106.279 12.731 1.00 22.98 H new ATOM 0 HB2 GLN A 202 50.677 108.193 11.639 1.00 25.14 H new ATOM 0 HB3 GLN A 202 51.872 107.193 11.568 1.00 25.14 H new ATOM 0 HG2 GLN A 202 51.178 106.651 9.336 1.00 23.81 H new ATOM 0 HG3 GLN A 202 50.148 107.817 9.430 1.00 23.81 H new ATOM 0 HE21 GLN A 202 51.054 109.119 7.820 1.00 28.48 H new ATOM 0 HE22 GLN A 202 52.382 109.784 7.921 1.00 28.48 H new ATOM 1591 N THR A 203 48.173 105.677 10.224 1.00 22.55 N ATOM 1592 CA THR A 203 46.800 105.763 9.682 1.00 22.16 C ATOM 1593 C THR A 203 45.726 105.510 10.770 1.00 19.96 C ATOM 1594 O THR A 203 44.550 105.959 10.604 1.00 19.75 O ATOM 1595 CB THR A 203 46.618 104.792 8.485 1.00 23.38 C ATOM 1596 OG1 THR A 203 46.906 103.452 8.889 1.00 27.63 O ATOM 1597 CG2 THR A 203 47.642 104.968 7.390 1.00 24.25 C ATOM 0 H THR A 203 48.664 105.092 9.827 1.00 22.55 H new ATOM 0 HA THR A 203 46.673 106.670 9.363 1.00 22.16 H new ATOM 0 HB THR A 203 45.712 104.970 8.187 1.00 23.38 H new ATOM 0 HG1 THR A 203 47.724 103.383 9.067 1.00 27.63 H new ATOM 0 HG21 THR A 203 47.468 104.332 6.679 1.00 24.25 H new ATOM 0 HG22 THR A 203 47.587 105.870 7.037 1.00 24.25 H new ATOM 0 HG23 THR A 203 48.530 104.815 7.749 1.00 24.25 H new ATOM 1598 N VAL A 204 46.090 104.834 11.878 1.00 18.98 N ATOM 1599 CA VAL A 204 45.110 104.592 12.965 1.00 18.75 C ATOM 1600 C VAL A 204 44.588 105.945 13.468 1.00 17.54 C ATOM 1601 O VAL A 204 43.394 106.057 13.914 1.00 18.53 O ATOM 1602 CB VAL A 204 45.649 103.726 14.134 1.00 18.80 C ATOM 1603 CG1 VAL A 204 46.046 102.333 13.636 1.00 20.29 C ATOM 1604 CG2 VAL A 204 46.769 104.355 14.911 1.00 21.15 C ATOM 0 H VAL A 204 46.876 104.515 12.019 1.00 18.98 H new ATOM 0 HA VAL A 204 44.387 104.066 12.588 1.00 18.75 H new ATOM 0 HB VAL A 204 44.913 103.650 14.762 1.00 18.80 H new ATOM 0 HG11 VAL A 204 46.380 101.807 14.379 1.00 20.29 H new ATOM 0 HG12 VAL A 204 45.271 101.894 13.251 1.00 20.29 H new ATOM 0 HG13 VAL A 204 46.738 102.415 12.962 1.00 20.29 H new ATOM 0 HG21 VAL A 204 47.048 103.755 15.620 1.00 21.15 H new ATOM 0 HG22 VAL A 204 47.518 104.526 14.319 1.00 21.15 H new ATOM 0 HG23 VAL A 204 46.465 105.191 15.297 1.00 21.15 H new ATOM 1605 N ASP A 205 45.428 106.977 13.521 1.00 17.57 N ATOM 1606 CA ASP A 205 45.054 108.298 14.107 1.00 16.99 C ATOM 1607 C ASP A 205 44.000 108.965 13.201 1.00 16.63 C ATOM 1608 O ASP A 205 43.133 109.699 13.744 1.00 16.83 O ATOM 1609 CB ASP A 205 46.276 109.216 14.331 1.00 16.73 C ATOM 1610 CG ASP A 205 47.211 108.779 15.464 1.00 18.06 C ATOM 1611 OD1 ASP A 205 46.733 108.083 16.402 1.00 18.22 O ATOM 1612 OD2 ASP A 205 48.407 109.173 15.350 1.00 19.28 O ATOM 0 H ASP A 205 46.234 106.946 13.222 1.00 17.57 H new ATOM 0 HA ASP A 205 44.677 108.148 14.988 1.00 16.99 H new ATOM 0 HB2 ASP A 205 46.786 109.261 13.507 1.00 16.73 H new ATOM 0 HB3 ASP A 205 45.960 110.114 14.518 1.00 16.73 H new ATOM 1613 N ILE A 206 44.053 108.767 11.868 1.00 16.26 N ATOM 1614 CA ILE A 206 43.043 109.392 10.967 1.00 17.54 C ATOM 1615 C ILE A 206 41.667 108.738 11.196 1.00 17.38 C ATOM 1616 O ILE A 206 40.655 109.470 11.127 1.00 16.70 O ATOM 1617 CB ILE A 206 43.518 109.328 9.501 1.00 17.84 C ATOM 1618 CG1 ILE A 206 44.769 110.192 9.273 1.00 18.56 C ATOM 1619 CG2 ILE A 206 42.383 109.710 8.552 1.00 18.57 C ATOM 1620 CD1 ILE A 206 44.494 111.668 9.321 1.00 24.44 C ATOM 0 H ILE A 206 44.647 108.289 11.470 1.00 16.26 H new ATOM 0 HA ILE A 206 42.945 110.334 11.177 1.00 17.54 H new ATOM 0 HB ILE A 206 43.772 108.412 9.307 1.00 17.84 H new ATOM 0 HG12 ILE A 206 45.432 109.972 9.945 1.00 18.56 H new ATOM 0 HG13 ILE A 206 45.154 109.970 8.411 1.00 18.56 H new ATOM 0 HG21 ILE A 206 42.698 109.665 7.636 1.00 18.57 H new ATOM 0 HG22 ILE A 206 41.642 109.095 8.669 1.00 18.57 H new ATOM 0 HG23 ILE A 206 42.088 110.613 8.748 1.00 18.57 H new ATOM 0 HD11 ILE A 206 45.319 112.156 9.171 1.00 24.44 H new ATOM 0 HD12 ILE A 206 43.851 111.900 8.632 1.00 24.44 H new ATOM 0 HD13 ILE A 206 44.134 111.902 10.191 1.00 24.44 H new ATOM 1621 N TRP A 207 41.564 107.438 11.437 1.00 16.39 N ATOM 1622 CA TRP A 207 40.264 106.798 11.831 1.00 15.28 C ATOM 1623 C TRP A 207 39.702 107.546 13.042 1.00 16.06 C ATOM 1624 O TRP A 207 38.494 107.928 13.033 1.00 15.01 O ATOM 1625 CB TRP A 207 40.455 105.310 12.154 1.00 16.19 C ATOM 1626 CG TRP A 207 39.153 104.636 12.490 1.00 15.53 C ATOM 1627 CD1 TRP A 207 38.568 104.528 13.716 1.00 15.63 C ATOM 1628 CD2 TRP A 207 38.271 103.986 11.556 1.00 15.03 C ATOM 1629 NE1 TRP A 207 37.358 103.878 13.592 1.00 15.94 N ATOM 1630 CE2 TRP A 207 37.158 103.507 12.276 1.00 14.66 C ATOM 1631 CE3 TRP A 207 38.294 103.737 10.166 1.00 14.72 C ATOM 1632 CZ2 TRP A 207 36.110 102.843 11.664 1.00 17.18 C ATOM 1633 CZ3 TRP A 207 37.288 102.995 9.568 1.00 15.56 C ATOM 1634 CH2 TRP A 207 36.159 102.602 10.309 1.00 16.86 C ATOM 0 H TRP A 207 42.224 106.889 11.384 1.00 16.39 H new ATOM 0 HA TRP A 207 39.640 106.853 11.090 1.00 15.28 H new ATOM 0 HB2 TRP A 207 40.863 104.865 11.395 1.00 16.19 H new ATOM 0 HB3 TRP A 207 41.068 105.218 12.900 1.00 16.19 H new ATOM 0 HD1 TRP A 207 38.929 104.844 14.513 1.00 15.63 H new ATOM 0 HE1 TRP A 207 36.810 103.726 14.237 1.00 15.94 H new ATOM 0 HE3 TRP A 207 38.989 104.073 9.648 1.00 14.72 H new ATOM 0 HZ2 TRP A 207 35.378 102.562 12.164 1.00 17.18 H new ATOM 0 HZ3 TRP A 207 37.360 102.756 8.672 1.00 15.56 H new ATOM 0 HH2 TRP A 207 35.447 102.180 9.885 1.00 16.86 H new ATOM 1635 N SER A 208 40.511 107.804 14.072 1.00 15.42 N ATOM 1636 CA SER A 208 40.041 108.475 15.300 1.00 15.24 C ATOM 1637 C SER A 208 39.536 109.886 14.944 1.00 15.78 C ATOM 1638 O SER A 208 38.472 110.307 15.472 1.00 16.12 O ATOM 1639 CB SER A 208 41.153 108.525 16.352 1.00 16.37 C ATOM 1640 OG SER A 208 41.699 107.257 16.614 1.00 16.71 O ATOM 0 H SER A 208 41.346 107.598 14.083 1.00 15.42 H new ATOM 0 HA SER A 208 39.308 107.970 15.685 1.00 15.24 H new ATOM 0 HB2 SER A 208 41.856 109.121 16.048 1.00 16.37 H new ATOM 0 HB3 SER A 208 40.800 108.899 17.175 1.00 16.37 H new ATOM 0 HG SER A 208 41.081 106.718 16.798 1.00 16.71 H new ATOM 1641 N VAL A 209 40.256 110.634 14.074 1.00 16.20 N ATOM 1642 CA VAL A 209 39.769 111.976 13.669 1.00 16.36 C ATOM 1643 C VAL A 209 38.387 111.860 13.007 1.00 14.77 C ATOM 1644 O VAL A 209 37.515 112.710 13.283 1.00 16.90 O ATOM 1645 CB VAL A 209 40.759 112.735 12.777 1.00 17.33 C ATOM 1646 CG1 VAL A 209 40.171 114.062 12.325 1.00 19.83 C ATOM 1647 CG2 VAL A 209 42.066 112.909 13.524 1.00 19.53 C ATOM 0 H VAL A 209 41.001 110.393 13.719 1.00 16.20 H new ATOM 0 HA VAL A 209 39.688 112.506 14.477 1.00 16.36 H new ATOM 0 HB VAL A 209 40.935 112.224 11.971 1.00 17.33 H new ATOM 0 HG11 VAL A 209 40.812 114.525 11.763 1.00 19.83 H new ATOM 0 HG12 VAL A 209 39.357 113.901 11.822 1.00 19.83 H new ATOM 0 HG13 VAL A 209 39.968 114.607 13.101 1.00 19.83 H new ATOM 0 HG21 VAL A 209 42.697 113.389 12.965 1.00 19.53 H new ATOM 0 HG22 VAL A 209 41.909 113.412 14.338 1.00 19.53 H new ATOM 0 HG23 VAL A 209 42.430 112.038 13.747 1.00 19.53 H new ATOM 1648 N GLY A 210 38.171 110.886 12.111 1.00 15.12 N ATOM 1649 CA GLY A 210 36.842 110.653 11.531 1.00 16.03 C ATOM 1650 C GLY A 210 35.751 110.444 12.573 1.00 17.12 C ATOM 1651 O GLY A 210 34.664 111.055 12.492 1.00 16.70 O ATOM 0 H GLY A 210 38.781 110.351 11.827 1.00 15.12 H new ATOM 0 HA2 GLY A 210 36.604 111.409 10.972 1.00 16.03 H new ATOM 0 HA3 GLY A 210 36.881 109.874 10.954 1.00 16.03 H new ATOM 1652 N CYS A 211 36.009 109.581 13.575 1.00 15.15 N ATOM 1653 CA CYS A 211 35.043 109.361 14.673 1.00 15.71 C ATOM 1654 C CYS A 211 34.759 110.686 15.420 1.00 15.88 C ATOM 1655 O CYS A 211 33.593 110.923 15.823 1.00 15.94 O ATOM 1656 CB CYS A 211 35.574 108.297 15.640 1.00 14.89 C ATOM 1657 SG CYS A 211 35.761 106.642 14.923 1.00 16.36 S ATOM 0 H CYS A 211 36.731 109.117 13.637 1.00 15.15 H new ATOM 0 HA CYS A 211 34.209 109.043 14.294 1.00 15.71 H new ATOM 0 HB2 CYS A 211 36.435 108.588 15.980 1.00 14.89 H new ATOM 0 HB3 CYS A 211 34.974 108.240 16.400 1.00 14.89 H new ATOM 0 HG CYS A 211 34.699 106.083 14.924 1.00 16.36 H new ATOM 1658 N ILE A 212 35.788 111.500 15.734 1.00 16.26 N ATOM 1659 CA ILE A 212 35.616 112.781 16.463 1.00 15.48 C ATOM 1660 C ILE A 212 34.779 113.737 15.589 1.00 16.47 C ATOM 1661 O ILE A 212 33.853 114.377 16.117 1.00 18.34 O ATOM 1662 CB ILE A 212 36.980 113.346 16.863 1.00 17.67 C ATOM 1663 CG1 ILE A 212 37.642 112.399 17.866 1.00 17.55 C ATOM 1664 CG2 ILE A 212 36.834 114.763 17.403 1.00 17.56 C ATOM 1665 CD1 ILE A 212 39.126 112.684 18.024 1.00 17.80 C ATOM 0 H ILE A 212 36.605 111.325 15.531 1.00 16.26 H new ATOM 0 HA ILE A 212 35.132 112.650 17.293 1.00 15.48 H new ATOM 0 HB ILE A 212 37.557 113.406 16.085 1.00 17.67 H new ATOM 0 HG12 ILE A 212 37.204 112.484 18.727 1.00 17.55 H new ATOM 0 HG13 ILE A 212 37.519 111.482 17.574 1.00 17.55 H new ATOM 0 HG21 ILE A 212 37.706 115.106 17.652 1.00 17.56 H new ATOM 0 HG22 ILE A 212 36.446 115.332 16.720 1.00 17.56 H new ATOM 0 HG23 ILE A 212 36.256 114.755 18.182 1.00 17.56 H new ATOM 0 HD11 ILE A 212 39.508 112.065 18.666 1.00 17.80 H new ATOM 0 HD12 ILE A 212 39.569 112.576 17.168 1.00 17.80 H new ATOM 0 HD13 ILE A 212 39.249 113.593 18.339 1.00 17.80 H new ATOM 1666 N MET A 213 35.151 113.891 14.329 1.00 16.47 N ATOM 1667 CA MET A 213 34.466 114.838 13.397 1.00 17.23 C ATOM 1668 C MET A 213 32.959 114.461 13.324 1.00 19.81 C ATOM 1669 O MET A 213 32.080 115.373 13.427 1.00 19.10 O ATOM 1670 CB MET A 213 35.132 114.886 12.018 1.00 18.10 C ATOM 1671 CG MET A 213 34.384 115.790 11.004 1.00 18.65 C ATOM 1672 SD MET A 213 35.417 115.948 9.567 1.00 20.92 S ATOM 1673 CE MET A 213 34.214 116.727 8.454 1.00 20.03 C ATOM 0 H MET A 213 35.804 113.460 13.971 1.00 16.47 H new ATOM 0 HA MET A 213 34.547 115.741 13.743 1.00 17.23 H new ATOM 0 HB2 MET A 213 36.042 115.207 12.117 1.00 18.10 H new ATOM 0 HB3 MET A 213 35.185 113.986 11.661 1.00 18.10 H new ATOM 0 HG2 MET A 213 33.527 115.401 10.767 1.00 18.65 H new ATOM 0 HG3 MET A 213 34.203 116.661 11.392 1.00 18.65 H new ATOM 0 HE1 MET A 213 34.628 116.889 7.592 1.00 20.03 H new ATOM 0 HE2 MET A 213 33.451 116.140 8.340 1.00 20.03 H new ATOM 0 HE3 MET A 213 33.919 117.569 8.834 1.00 20.03 H new ATOM 1674 N ALA A 214 32.643 113.183 13.172 1.00 17.69 N ATOM 1675 CA ALA A 214 31.238 112.695 13.063 1.00 17.54 C ATOM 1676 C ALA A 214 30.482 113.152 14.315 1.00 21.13 C ATOM 1677 O ALA A 214 29.333 113.676 14.226 1.00 19.80 O ATOM 1678 CB ALA A 214 31.175 111.194 12.922 1.00 17.35 C ATOM 0 H ALA A 214 33.230 112.556 13.127 1.00 17.69 H new ATOM 0 HA ALA A 214 30.830 113.065 12.265 1.00 17.54 H new ATOM 0 HB1 ALA A 214 30.249 110.914 12.854 1.00 17.35 H new ATOM 0 HB2 ALA A 214 31.654 110.923 12.123 1.00 17.35 H new ATOM 0 HB3 ALA A 214 31.582 110.778 13.698 1.00 17.35 H new ATOM 1679 N GLU A 215 31.062 112.965 15.492 1.00 18.73 N ATOM 1680 CA GLU A 215 30.451 113.295 16.796 1.00 19.32 C ATOM 1681 C GLU A 215 30.278 114.819 16.950 1.00 19.35 C ATOM 1682 O GLU A 215 29.211 115.228 17.491 1.00 20.01 O ATOM 1683 CB GLU A 215 31.326 112.651 17.901 1.00 18.77 C ATOM 1684 CG GLU A 215 30.798 112.859 19.293 1.00 21.57 C ATOM 1685 CD GLU A 215 31.476 112.066 20.390 1.00 23.70 C ATOM 1686 OE1 GLU A 215 32.143 111.096 20.066 1.00 21.30 O ATOM 1687 OE2 GLU A 215 31.203 112.351 21.635 1.00 26.11 O ATOM 0 H GLU A 215 31.851 112.631 15.567 1.00 18.73 H new ATOM 0 HA GLU A 215 29.554 112.933 16.868 1.00 19.32 H new ATOM 0 HB2 GLU A 215 31.398 111.699 17.731 1.00 18.77 H new ATOM 0 HB3 GLU A 215 32.222 113.017 17.846 1.00 18.77 H new ATOM 0 HG2 GLU A 215 30.871 113.802 19.509 1.00 21.57 H new ATOM 0 HG3 GLU A 215 29.853 112.639 19.297 1.00 21.57 H new ATOM 1688 N LEU A 216 31.160 115.646 16.391 1.00 20.54 N ATOM 1689 CA LEU A 216 30.946 117.133 16.440 1.00 21.82 C ATOM 1690 C LEU A 216 29.765 117.485 15.534 1.00 23.32 C ATOM 1691 O LEU A 216 28.955 118.425 15.948 1.00 25.25 O ATOM 1692 CB LEU A 216 32.208 117.883 16.027 1.00 23.18 C ATOM 1693 CG LEU A 216 33.433 117.685 16.927 1.00 24.89 C ATOM 1694 CD1 LEU A 216 34.544 118.630 16.526 1.00 25.52 C ATOM 1695 CD2 LEU A 216 33.142 117.875 18.399 1.00 29.47 C ATOM 0 H LEU A 216 31.875 115.395 15.985 1.00 20.54 H new ATOM 0 HA LEU A 216 30.745 117.404 17.349 1.00 21.82 H new ATOM 0 HB2 LEU A 216 32.444 117.612 15.126 1.00 23.18 H new ATOM 0 HB3 LEU A 216 32.003 118.831 15.994 1.00 23.18 H new ATOM 0 HG LEU A 216 33.703 116.762 16.800 1.00 24.89 H new ATOM 0 HD11 LEU A 216 35.311 118.492 17.104 1.00 25.52 H new ATOM 0 HD12 LEU A 216 34.799 118.459 15.606 1.00 25.52 H new ATOM 0 HD13 LEU A 216 34.236 119.546 16.611 1.00 25.52 H new ATOM 0 HD21 LEU A 216 33.955 117.736 18.910 1.00 29.47 H new ATOM 0 HD22 LEU A 216 32.815 118.775 18.551 1.00 29.47 H new ATOM 0 HD23 LEU A 216 32.470 117.235 18.681 1.00 29.47 H new ATOM 1696 N LEU A 217 29.588 116.781 14.426 1.00 20.30 N ATOM 1697 CA LEU A 217 28.478 117.122 13.467 1.00 20.53 C ATOM 1698 C LEU A 217 27.116 116.686 14.042 1.00 25.12 C ATOM 1699 O LEU A 217 26.115 117.406 13.763 1.00 24.78 O ATOM 1700 CB LEU A 217 28.730 116.500 12.112 1.00 22.26 C ATOM 1701 CG LEU A 217 29.916 117.073 11.327 1.00 26.07 C ATOM 1702 CD1 LEU A 217 30.328 116.130 10.234 1.00 27.24 C ATOM 1703 CD2 LEU A 217 29.565 118.423 10.734 1.00 28.64 C ATOM 0 H LEU A 217 30.075 116.112 14.192 1.00 20.30 H new ATOM 0 HA LEU A 217 28.457 118.084 13.348 1.00 20.53 H new ATOM 0 HB2 LEU A 217 28.873 115.548 12.233 1.00 22.26 H new ATOM 0 HB3 LEU A 217 27.929 116.600 11.574 1.00 22.26 H new ATOM 0 HG LEU A 217 30.657 117.186 11.943 1.00 26.07 H new ATOM 0 HD11 LEU A 217 31.078 116.506 9.747 1.00 27.24 H new ATOM 0 HD12 LEU A 217 30.588 115.279 10.621 1.00 27.24 H new ATOM 0 HD13 LEU A 217 29.584 115.994 9.626 1.00 27.24 H new ATOM 0 HD21 LEU A 217 30.326 118.768 10.242 1.00 28.64 H new ATOM 0 HD22 LEU A 217 28.810 118.326 10.133 1.00 28.64 H new ATOM 0 HD23 LEU A 217 29.334 119.039 11.446 1.00 28.64 H new ATOM 1704 N THR A 218 27.026 115.555 14.738 1.00 21.01 N ATOM 1705 CA THR A 218 25.712 114.957 15.158 1.00 21.42 C ATOM 1706 C THR A 218 25.403 115.166 16.642 1.00 22.43 C ATOM 1707 O THR A 218 24.204 114.988 17.020 1.00 22.20 O ATOM 1708 CB THR A 218 25.634 113.455 14.872 1.00 21.06 C ATOM 1709 OG1 THR A 218 26.602 112.835 15.743 1.00 20.34 O ATOM 1710 CG2 THR A 218 25.932 113.128 13.415 1.00 21.40 C ATOM 0 H THR A 218 27.711 115.099 14.989 1.00 21.01 H new ATOM 0 HA THR A 218 25.054 115.430 14.625 1.00 21.42 H new ATOM 0 HB THR A 218 24.736 113.126 15.035 1.00 21.06 H new ATOM 0 HG1 THR A 218 27.375 113.071 15.516 1.00 20.34 H new ATOM 0 HG21 THR A 218 25.872 112.169 13.279 1.00 21.40 H new ATOM 0 HG22 THR A 218 25.288 113.576 12.844 1.00 21.40 H new ATOM 0 HG23 THR A 218 26.826 113.430 13.192 1.00 21.40 H new ATOM 1711 N GLY A 219 26.419 115.415 17.461 1.00 20.58 N ATOM 1712 CA GLY A 219 26.370 115.455 18.929 1.00 22.57 C ATOM 1713 C GLY A 219 26.311 114.067 19.557 1.00 24.51 C ATOM 1714 O GLY A 219 26.027 113.987 20.755 1.00 26.72 O ATOM 0 H GLY A 219 27.208 115.576 17.160 1.00 20.58 H new ATOM 0 HA2 GLY A 219 27.152 115.923 19.262 1.00 22.57 H new ATOM 0 HA3 GLY A 219 25.594 115.965 19.209 1.00 22.57 H new ATOM 1715 N ARG A 220 26.515 112.986 18.784 1.00 19.25 N ATOM 1716 CA ARG A 220 26.365 111.591 19.257 1.00 18.47 C ATOM 1717 C ARG A 220 27.613 110.763 18.921 1.00 18.88 C ATOM 1718 O ARG A 220 28.243 111.012 17.872 1.00 18.30 O ATOM 1719 CB ARG A 220 25.174 110.908 18.565 1.00 20.18 C ATOM 1720 CG ARG A 220 23.841 111.584 18.864 1.00 23.24 C ATOM 1721 CD ARG A 220 23.458 111.512 20.356 1.00 26.96 C ATOM 1722 NE ARG A 220 22.417 112.523 20.563 1.00 31.25 N ATOM 1723 CZ ARG A 220 22.042 112.979 21.748 1.00 25.50 C ATOM 1724 NH1 ARG A 220 22.604 112.513 22.856 1.00 29.61 N ATOM 1725 NH2 ARG A 220 21.098 113.911 21.791 1.00 32.97 N ATOM 0 H ARG A 220 26.748 113.042 17.958 1.00 19.25 H new ATOM 0 HA ARG A 220 26.229 111.631 20.217 1.00 18.47 H new ATOM 0 HB2 ARG A 220 25.322 110.906 17.606 1.00 20.18 H new ATOM 0 HB3 ARG A 220 25.131 109.981 18.847 1.00 20.18 H new ATOM 0 HG2 ARG A 220 23.885 112.513 18.590 1.00 23.24 H new ATOM 0 HG3 ARG A 220 23.144 111.165 18.335 1.00 23.24 H new ATOM 0 HD2 ARG A 220 23.133 110.628 20.587 1.00 26.96 H new ATOM 0 HD3 ARG A 220 24.228 111.687 20.920 1.00 26.96 H new ATOM 0 HE ARG A 220 22.023 112.841 19.868 1.00 31.25 H new ATOM 0 HH11 ARG A 220 23.216 111.911 22.807 1.00 29.61 H new ATOM 0 HH12 ARG A 220 22.356 112.813 23.623 1.00 29.61 H new ATOM 0 HH21 ARG A 220 20.748 114.202 21.062 1.00 32.97 H new ATOM 0 HH22 ARG A 220 20.837 114.224 22.548 1.00 32.97 H new ATOM 1726 N THR A 221 28.023 109.856 19.804 1.00 17.37 N ATOM 1727 CA THR A 221 29.142 108.913 19.516 1.00 18.08 C ATOM 1728 C THR A 221 28.835 108.171 18.219 1.00 16.66 C ATOM 1729 O THR A 221 27.693 107.612 18.045 1.00 16.92 O ATOM 1730 CB THR A 221 29.304 107.885 20.647 1.00 18.71 C ATOM 1731 OG1 THR A 221 29.292 108.535 21.926 1.00 22.81 O ATOM 1732 CG2 THR A 221 30.573 107.083 20.453 1.00 19.81 C ATOM 0 H THR A 221 27.674 109.759 20.584 1.00 17.37 H new ATOM 0 HA THR A 221 29.965 109.421 19.439 1.00 18.08 H new ATOM 0 HB THR A 221 28.553 107.272 20.619 1.00 18.71 H new ATOM 0 HG1 THR A 221 28.508 108.772 22.113 1.00 22.81 H new ATOM 0 HG21 THR A 221 30.662 106.439 21.173 1.00 19.81 H new ATOM 0 HG22 THR A 221 30.534 106.615 19.604 1.00 19.81 H new ATOM 0 HG23 THR A 221 31.337 107.680 20.457 1.00 19.81 H new ATOM 1733 N LEU A 222 29.827 108.071 17.296 1.00 15.92 N ATOM 1734 CA LEU A 222 29.618 107.351 16.023 1.00 15.69 C ATOM 1735 C LEU A 222 29.496 105.824 16.225 1.00 15.34 C ATOM 1736 O LEU A 222 28.549 105.230 15.649 1.00 16.21 O ATOM 1737 CB LEU A 222 30.771 107.665 15.053 1.00 16.53 C ATOM 1738 CG LEU A 222 30.650 107.044 13.664 1.00 16.76 C ATOM 1739 CD1 LEU A 222 29.330 107.431 13.009 1.00 18.46 C ATOM 1740 CD2 LEU A 222 31.847 107.420 12.764 1.00 16.94 C ATOM 0 H LEU A 222 30.612 108.409 17.392 1.00 15.92 H new ATOM 0 HA LEU A 222 28.778 107.658 15.648 1.00 15.69 H new ATOM 0 HB2 LEU A 222 30.837 108.628 14.955 1.00 16.53 H new ATOM 0 HB3 LEU A 222 31.601 107.363 15.454 1.00 16.53 H new ATOM 0 HG LEU A 222 30.663 106.080 13.773 1.00 16.76 H new ATOM 0 HD11 LEU A 222 29.274 107.026 12.129 1.00 18.46 H new ATOM 0 HD12 LEU A 222 28.593 107.117 13.556 1.00 18.46 H new ATOM 0 HD13 LEU A 222 29.281 108.396 12.924 1.00 18.46 H new ATOM 0 HD21 LEU A 222 31.738 107.010 11.892 1.00 16.94 H new ATOM 0 HD22 LEU A 222 31.887 108.384 12.665 1.00 16.94 H new ATOM 0 HD23 LEU A 222 32.669 107.103 13.169 1.00 16.94 H new ATOM 1741 N PHE A 223 30.409 105.201 16.995 1.00 16.30 N ATOM 1742 CA PHE A 223 30.424 103.737 17.172 1.00 15.95 C ATOM 1743 C PHE A 223 30.427 103.385 18.666 1.00 17.23 C ATOM 1744 O PHE A 223 31.417 102.792 19.169 1.00 16.61 O ATOM 1745 CB PHE A 223 31.654 103.151 16.462 1.00 16.72 C ATOM 1746 CG PHE A 223 31.837 103.433 14.960 1.00 15.43 C ATOM 1747 CD1 PHE A 223 30.851 103.066 14.040 1.00 16.88 C ATOM 1748 CD2 PHE A 223 32.981 104.056 14.522 1.00 16.41 C ATOM 1749 CE1 PHE A 223 31.026 103.337 12.683 1.00 17.87 C ATOM 1750 CE2 PHE A 223 33.159 104.340 13.166 1.00 16.63 C ATOM 1751 CZ PHE A 223 32.211 103.909 12.244 1.00 16.87 C ATOM 0 H PHE A 223 31.030 105.613 17.424 1.00 16.30 H new ATOM 0 HA PHE A 223 29.626 103.352 16.778 1.00 15.95 H new ATOM 0 HB2 PHE A 223 32.443 103.477 16.922 1.00 16.72 H new ATOM 0 HB3 PHE A 223 31.633 102.189 16.581 1.00 16.72 H new ATOM 0 HD1 PHE A 223 30.078 102.641 14.333 1.00 16.88 H new ATOM 0 HD2 PHE A 223 33.642 104.290 15.133 1.00 16.41 H new ATOM 0 HE1 PHE A 223 30.351 103.135 12.075 1.00 17.87 H new ATOM 0 HE2 PHE A 223 33.907 104.814 12.881 1.00 16.63 H new ATOM 0 HZ PHE A 223 32.372 104.004 11.333 1.00 16.87 H new ATOM 1752 N PRO A 224 29.310 103.633 19.404 1.00 18.00 N ATOM 1753 CA PRO A 224 29.292 103.342 20.840 1.00 19.02 C ATOM 1754 C PRO A 224 29.051 101.850 21.177 1.00 18.50 C ATOM 1755 O PRO A 224 28.022 101.437 21.698 1.00 18.55 O ATOM 1756 CB PRO A 224 28.118 104.233 21.318 1.00 19.21 C ATOM 1757 CG PRO A 224 27.171 104.192 20.162 1.00 19.34 C ATOM 1758 CD PRO A 224 28.069 104.263 18.908 1.00 18.33 C ATOM 0 HA PRO A 224 30.143 103.521 21.269 1.00 19.02 H new ATOM 0 HB2 PRO A 224 27.711 103.887 22.128 1.00 19.21 H new ATOM 0 HB3 PRO A 224 28.410 105.138 21.511 1.00 19.21 H new ATOM 0 HG2 PRO A 224 26.642 103.379 20.170 1.00 19.34 H new ATOM 0 HG3 PRO A 224 26.549 104.935 20.191 1.00 19.34 H new ATOM 0 HD2 PRO A 224 27.688 103.780 18.158 1.00 18.33 H new ATOM 0 HD3 PRO A 224 28.215 105.176 18.614 1.00 18.33 H new ATOM 1759 N GLY A 225 29.986 100.973 20.785 1.00 19.05 N ATOM 1760 CA GLY A 225 29.857 99.535 21.008 1.00 18.59 C ATOM 1761 C GLY A 225 29.779 99.110 22.475 1.00 17.67 C ATOM 1762 O GLY A 225 30.536 99.696 23.326 1.00 17.06 O ATOM 0 H GLY A 225 30.711 101.201 20.383 1.00 19.05 H new ATOM 0 HA2 GLY A 225 29.060 99.221 20.552 1.00 18.59 H new ATOM 0 HA3 GLY A 225 30.614 99.089 20.596 1.00 18.59 H new ATOM 1763 N THR A 226 28.927 98.095 22.717 1.00 18.85 N ATOM 1764 CA THR A 226 28.866 97.524 24.107 1.00 20.50 C ATOM 1765 C THR A 226 30.047 96.588 24.403 1.00 20.55 C ATOM 1766 O THR A 226 30.207 96.191 25.602 1.00 20.98 O ATOM 1767 CB THR A 226 27.482 96.919 24.343 1.00 22.30 C ATOM 1768 OG1 THR A 226 27.320 95.876 23.382 1.00 23.72 O ATOM 1769 CG2 THR A 226 26.349 97.928 24.237 1.00 25.56 C ATOM 0 H THR A 226 28.402 97.734 22.139 1.00 18.85 H new ATOM 0 HA THR A 226 28.974 98.232 24.761 1.00 20.50 H new ATOM 0 HB THR A 226 27.435 96.586 25.253 1.00 22.30 H new ATOM 0 HG1 THR A 226 26.567 95.517 23.482 1.00 23.72 H new ATOM 0 HG21 THR A 226 25.502 97.482 24.396 1.00 25.56 H new ATOM 0 HG22 THR A 226 26.475 98.627 24.897 1.00 25.56 H new ATOM 0 HG23 THR A 226 26.346 98.319 23.349 1.00 25.56 H new ATOM 1770 N ASP A 227 30.824 96.172 23.392 1.00 19.00 N ATOM 1771 CA ASP A 227 32.018 95.321 23.500 1.00 18.00 C ATOM 1772 C ASP A 227 32.706 95.320 22.132 1.00 20.20 C ATOM 1773 O ASP A 227 32.137 95.963 21.198 1.00 19.30 O ATOM 1774 CB ASP A 227 31.614 93.899 23.966 1.00 20.21 C ATOM 1775 CG ASP A 227 30.605 93.271 23.055 1.00 23.02 C ATOM 1776 OD1 ASP A 227 30.973 92.927 21.910 1.00 25.34 O ATOM 1777 OD2 ASP A 227 29.443 93.142 23.473 1.00 36.41 O ATOM 0 H ASP A 227 30.657 96.393 22.578 1.00 19.00 H new ATOM 0 HA ASP A 227 32.639 95.659 24.164 1.00 18.00 H new ATOM 0 HB2 ASP A 227 32.404 93.337 24.008 1.00 20.21 H new ATOM 0 HB3 ASP A 227 31.252 93.946 24.865 1.00 20.21 H new ATOM 1778 N HIS A 228 33.884 94.716 22.032 1.00 20.65 N ATOM 1779 CA HIS A 228 34.649 94.696 20.750 1.00 20.33 C ATOM 1780 C HIS A 228 33.765 94.222 19.593 1.00 21.97 C ATOM 1781 O HIS A 228 33.910 94.804 18.452 1.00 22.12 O ATOM 1782 CB HIS A 228 35.874 93.784 20.869 1.00 19.13 C ATOM 1783 CG HIS A 228 36.933 94.242 21.802 1.00 19.58 C ATOM 1784 ND1 HIS A 228 36.699 94.415 23.190 1.00 21.05 N ATOM 1785 CD2 HIS A 228 38.254 94.510 21.630 1.00 20.17 C ATOM 1786 CE1 HIS A 228 37.812 94.821 23.749 1.00 21.86 C ATOM 1787 NE2 HIS A 228 38.785 94.850 22.831 1.00 21.40 N ATOM 0 H HIS A 228 34.271 94.308 22.683 1.00 20.65 H new ATOM 0 HA HIS A 228 34.944 95.602 20.566 1.00 20.33 H new ATOM 0 HB2 HIS A 228 35.576 92.905 21.152 1.00 19.13 H new ATOM 0 HB3 HIS A 228 36.266 93.681 19.988 1.00 19.13 H new ATOM 0 HD2 HIS A 228 38.716 94.467 20.824 1.00 20.17 H new ATOM 0 HE1 HIS A 228 37.910 95.053 24.644 1.00 21.86 H new ATOM 0 HE2 HIS A 228 39.608 95.050 22.978 1.00 21.40 H new ATOM 1788 N ILE A 229 33.003 93.135 19.751 1.00 19.97 N ATOM 1789 CA ILE A 229 32.241 92.514 18.616 1.00 21.61 C ATOM 1790 C ILE A 229 31.064 93.395 18.239 1.00 20.33 C ATOM 1791 O ILE A 229 30.835 93.628 17.018 1.00 20.12 O ATOM 1792 CB ILE A 229 31.757 91.096 18.991 1.00 25.94 C ATOM 1793 CG1 ILE A 229 32.929 90.176 19.272 1.00 28.07 C ATOM 1794 CG2 ILE A 229 30.824 90.501 17.916 1.00 26.58 C ATOM 1795 CD1 ILE A 229 34.013 90.199 18.244 1.00 29.18 C ATOM 0 H ILE A 229 32.904 92.730 20.503 1.00 19.97 H new ATOM 0 HA ILE A 229 32.833 92.437 17.852 1.00 21.61 H new ATOM 0 HB ILE A 229 31.237 91.176 19.806 1.00 25.94 H new ATOM 0 HG12 ILE A 229 33.311 90.415 20.131 1.00 28.07 H new ATOM 0 HG13 ILE A 229 32.598 89.268 19.352 1.00 28.07 H new ATOM 0 HG21 ILE A 229 30.542 89.613 18.187 1.00 26.58 H new ATOM 0 HG22 ILE A 229 30.045 91.069 17.813 1.00 26.58 H new ATOM 0 HG23 ILE A 229 31.297 90.446 17.071 1.00 26.58 H new ATOM 0 HD11 ILE A 229 34.718 89.585 18.503 1.00 29.18 H new ATOM 0 HD12 ILE A 229 33.650 89.931 17.385 1.00 29.18 H new ATOM 0 HD13 ILE A 229 34.376 91.096 18.176 1.00 29.18 H new ATOM 1796 N ASP A 230 30.301 93.904 19.204 1.00 19.32 N ATOM 1797 CA ASP A 230 29.211 94.863 18.923 1.00 19.19 C ATOM 1798 C ASP A 230 29.805 96.048 18.140 1.00 18.17 C ATOM 1799 O ASP A 230 29.178 96.525 17.119 1.00 18.84 O ATOM 1800 CB ASP A 230 28.509 95.296 20.208 1.00 20.76 C ATOM 1801 CG ASP A 230 27.345 96.228 19.964 1.00 21.45 C ATOM 1802 OD1 ASP A 230 26.336 95.808 19.274 1.00 24.40 O ATOM 1803 OD2 ASP A 230 27.390 97.370 20.421 1.00 22.63 O ATOM 0 H ASP A 230 30.393 93.710 20.037 1.00 19.32 H new ATOM 0 HA ASP A 230 28.524 94.444 18.381 1.00 19.19 H new ATOM 0 HB2 ASP A 230 28.193 94.509 20.678 1.00 20.76 H new ATOM 0 HB3 ASP A 230 29.151 95.734 20.789 1.00 20.76 H new ATOM 1804 N GLN A 231 30.921 96.584 18.626 1.00 16.74 N ATOM 1805 CA GLN A 231 31.524 97.777 17.950 1.00 17.56 C ATOM 1806 C GLN A 231 31.917 97.408 16.508 1.00 17.65 C ATOM 1807 O GLN A 231 31.681 98.235 15.574 1.00 16.15 O ATOM 1808 CB GLN A 231 32.709 98.321 18.720 1.00 16.95 C ATOM 1809 CG GLN A 231 33.177 99.693 18.213 1.00 17.07 C ATOM 1810 CD GLN A 231 34.230 100.315 19.086 1.00 18.18 C ATOM 1811 OE1 GLN A 231 34.167 100.142 20.328 1.00 17.76 O ATOM 1812 NE2 GLN A 231 35.195 101.016 18.509 1.00 20.34 N ATOM 0 H GLN A 231 31.345 96.299 19.318 1.00 16.74 H new ATOM 0 HA GLN A 231 30.860 98.484 17.926 1.00 17.56 H new ATOM 0 HB2 GLN A 231 32.473 98.392 19.658 1.00 16.95 H new ATOM 0 HB3 GLN A 231 33.444 97.691 18.659 1.00 16.95 H new ATOM 0 HG2 GLN A 231 33.526 99.598 17.313 1.00 17.07 H new ATOM 0 HG3 GLN A 231 32.414 100.290 18.160 1.00 17.07 H new ATOM 0 HE21 GLN A 231 35.204 101.112 17.654 1.00 20.34 H new ATOM 0 HE22 GLN A 231 35.812 101.374 18.989 1.00 20.34 H new ATOM 1813 N LEU A 232 32.564 96.258 16.268 1.00 17.54 N ATOM 1814 CA LEU A 232 32.883 95.858 14.857 1.00 17.53 C ATOM 1815 C LEU A 232 31.602 95.798 13.997 1.00 17.39 C ATOM 1816 O LEU A 232 31.628 96.315 12.823 1.00 17.55 O ATOM 1817 CB LEU A 232 33.626 94.505 14.825 1.00 18.03 C ATOM 1818 CG LEU A 232 33.942 93.971 13.427 1.00 17.92 C ATOM 1819 CD1 LEU A 232 34.940 94.842 12.684 1.00 18.54 C ATOM 1820 CD2 LEU A 232 34.419 92.504 13.448 1.00 22.34 C ATOM 0 H LEU A 232 32.824 95.705 16.873 1.00 17.54 H new ATOM 0 HA LEU A 232 33.467 96.534 14.479 1.00 17.53 H new ATOM 0 HB2 LEU A 232 34.457 94.597 15.317 1.00 18.03 H new ATOM 0 HB3 LEU A 232 33.090 93.846 15.294 1.00 18.03 H new ATOM 0 HG LEU A 232 33.102 94.002 12.942 1.00 17.92 H new ATOM 0 HD11 LEU A 232 35.108 94.465 11.806 1.00 18.54 H new ATOM 0 HD12 LEU A 232 34.579 95.737 12.587 1.00 18.54 H new ATOM 0 HD13 LEU A 232 35.771 94.881 13.183 1.00 18.54 H new ATOM 0 HD21 LEU A 232 34.606 92.211 12.542 1.00 22.34 H new ATOM 0 HD22 LEU A 232 35.225 92.433 13.983 1.00 22.34 H new ATOM 0 HD23 LEU A 232 33.726 91.944 13.832 1.00 22.34 H new ATOM 1821 N LYS A 233 30.481 95.259 14.504 1.00 17.57 N ATOM 1822 CA LYS A 233 29.220 95.164 13.712 1.00 17.33 C ATOM 1823 C LYS A 233 28.738 96.591 13.364 1.00 18.52 C ATOM 1824 O LYS A 233 28.296 96.818 12.222 1.00 18.44 O ATOM 1825 CB LYS A 233 28.209 94.344 14.521 1.00 20.05 C ATOM 1826 CG LYS A 233 28.563 92.850 14.567 1.00 19.96 C ATOM 1827 CD LYS A 233 27.555 92.115 15.439 1.00 22.46 C ATOM 1828 CE LYS A 233 27.811 90.621 15.522 1.00 24.45 C ATOM 1829 NZ LYS A 233 26.892 90.022 16.520 1.00 25.38 N ATOM 0 H LYS A 233 30.422 94.941 15.301 1.00 17.57 H new ATOM 0 HA LYS A 233 29.348 94.706 12.867 1.00 17.33 H new ATOM 0 HB2 LYS A 233 28.166 94.691 15.426 1.00 20.05 H new ATOM 0 HB3 LYS A 233 27.326 94.452 14.134 1.00 20.05 H new ATOM 0 HG2 LYS A 233 28.560 92.480 13.671 1.00 19.96 H new ATOM 0 HG3 LYS A 233 29.458 92.731 14.920 1.00 19.96 H new ATOM 0 HD2 LYS A 233 27.575 92.491 16.333 1.00 22.46 H new ATOM 0 HD3 LYS A 233 26.663 92.265 15.089 1.00 22.46 H new ATOM 0 HE2 LYS A 233 27.675 90.210 14.654 1.00 24.45 H new ATOM 0 HE3 LYS A 233 28.733 90.454 15.774 1.00 24.45 H new ATOM 0 HZ1 LYS A 233 27.069 89.154 16.603 1.00 25.38 H new ATOM 0 HZ2 LYS A 233 27.004 90.424 17.306 1.00 25.38 H new ATOM 0 HZ3 LYS A 233 26.050 90.129 16.251 1.00 25.38 H new ATOM 1830 N LEU A 234 28.786 97.534 14.313 1.00 17.38 N ATOM 1831 CA LEU A 234 28.419 98.956 14.030 1.00 16.58 C ATOM 1832 C LEU A 234 29.322 99.511 12.934 1.00 17.24 C ATOM 1833 O LEU A 234 28.828 100.288 12.006 1.00 17.09 O ATOM 1834 CB LEU A 234 28.513 99.814 15.309 1.00 17.62 C ATOM 1835 CG LEU A 234 27.616 99.483 16.494 1.00 19.20 C ATOM 1836 CD1 LEU A 234 27.938 100.405 17.644 1.00 18.11 C ATOM 1837 CD2 LEU A 234 26.132 99.555 16.054 1.00 21.01 C ATOM 0 H LEU A 234 29.025 97.385 15.125 1.00 17.38 H new ATOM 0 HA LEU A 234 27.499 98.987 13.724 1.00 16.58 H new ATOM 0 HB2 LEU A 234 29.431 99.776 15.619 1.00 17.62 H new ATOM 0 HB3 LEU A 234 28.336 100.734 15.057 1.00 17.62 H new ATOM 0 HG LEU A 234 27.776 98.578 16.804 1.00 19.20 H new ATOM 0 HD11 LEU A 234 27.366 100.194 18.398 1.00 18.11 H new ATOM 0 HD12 LEU A 234 28.866 100.291 17.900 1.00 18.11 H new ATOM 0 HD13 LEU A 234 27.789 101.324 17.373 1.00 18.11 H new ATOM 0 HD21 LEU A 234 25.560 99.344 16.808 1.00 21.01 H new ATOM 0 HD22 LEU A 234 25.931 100.449 15.737 1.00 21.01 H new ATOM 0 HD23 LEU A 234 25.974 98.916 15.341 1.00 21.01 H new ATOM 1838 N ILE A 235 30.629 99.261 13.003 1.00 14.74 N ATOM 1839 CA ILE A 235 31.590 99.792 11.997 1.00 14.61 C ATOM 1840 C ILE A 235 31.250 99.185 10.617 1.00 16.04 C ATOM 1841 O ILE A 235 31.113 99.988 9.586 1.00 15.52 O ATOM 1842 CB ILE A 235 33.042 99.521 12.437 1.00 14.27 C ATOM 1843 CG1 ILE A 235 33.402 100.398 13.636 1.00 14.99 C ATOM 1844 CG2 ILE A 235 33.971 99.738 11.214 1.00 16.07 C ATOM 1845 CD1 ILE A 235 34.679 99.988 14.306 1.00 16.18 C ATOM 0 H ILE A 235 30.992 98.786 13.621 1.00 14.74 H new ATOM 0 HA ILE A 235 31.510 100.756 11.926 1.00 14.61 H new ATOM 0 HB ILE A 235 33.153 98.605 12.735 1.00 14.27 H new ATOM 0 HG12 ILE A 235 33.479 101.320 13.344 1.00 14.99 H new ATOM 0 HG13 ILE A 235 32.679 100.365 14.282 1.00 14.99 H new ATOM 0 HG21 ILE A 235 34.891 99.572 11.473 1.00 16.07 H new ATOM 0 HG22 ILE A 235 33.720 99.127 10.504 1.00 16.07 H new ATOM 0 HG23 ILE A 235 33.884 100.652 10.900 1.00 16.07 H new ATOM 0 HD11 ILE A 235 34.855 100.578 15.056 1.00 16.18 H new ATOM 0 HD12 ILE A 235 34.599 99.075 14.625 1.00 16.18 H new ATOM 0 HD13 ILE A 235 35.410 100.045 13.672 1.00 16.18 H new ATOM 1846 N LEU A 236 31.111 97.872 10.490 1.00 16.99 N ATOM 1847 CA LEU A 236 30.923 97.206 9.173 1.00 16.71 C ATOM 1848 C LEU A 236 29.555 97.588 8.600 1.00 17.65 C ATOM 1849 O LEU A 236 29.447 97.658 7.323 1.00 18.24 O ATOM 1850 CB LEU A 236 31.129 95.686 9.288 1.00 17.42 C ATOM 1851 CG LEU A 236 32.513 95.245 9.776 1.00 17.58 C ATOM 1852 CD1 LEU A 236 32.599 93.724 9.815 1.00 19.49 C ATOM 1853 CD2 LEU A 236 33.638 95.828 8.936 1.00 19.98 C ATOM 0 H LEU A 236 31.121 97.329 11.157 1.00 16.99 H new ATOM 0 HA LEU A 236 31.597 97.516 8.549 1.00 16.71 H new ATOM 0 HB2 LEU A 236 30.461 95.329 9.894 1.00 17.42 H new ATOM 0 HB3 LEU A 236 30.967 95.286 8.419 1.00 17.42 H new ATOM 0 HG LEU A 236 32.626 95.592 10.675 1.00 17.58 H new ATOM 0 HD11 LEU A 236 33.479 93.457 10.125 1.00 19.49 H new ATOM 0 HD12 LEU A 236 31.925 93.377 10.420 1.00 19.49 H new ATOM 0 HD13 LEU A 236 32.449 93.368 8.925 1.00 19.49 H new ATOM 0 HD21 LEU A 236 34.492 95.522 9.281 1.00 19.98 H new ATOM 0 HD22 LEU A 236 33.539 95.538 8.016 1.00 19.98 H new ATOM 0 HD23 LEU A 236 33.602 96.797 8.974 1.00 19.98 H new ATOM 1854 N ARG A 237 28.533 97.873 9.407 1.00 17.32 N ATOM 1855 CA ARG A 237 27.224 98.333 8.846 1.00 17.05 C ATOM 1856 C ARG A 237 27.409 99.671 8.116 1.00 19.82 C ATOM 1857 O ARG A 237 26.809 99.838 7.047 1.00 19.69 O ATOM 1858 CB ARG A 237 26.182 98.419 9.965 1.00 20.50 C ATOM 1859 CG ARG A 237 24.782 98.606 9.383 1.00 30.78 C ATOM 1860 CD ARG A 237 23.730 98.368 10.445 1.00 43.10 C ATOM 1861 NE ARG A 237 23.353 99.683 10.914 1.00 52.99 N ATOM 1862 CZ ARG A 237 22.334 100.411 10.448 1.00 53.76 C ATOM 1863 NH1 ARG A 237 21.509 99.942 9.518 1.00 58.57 N ATOM 1864 NH2 ARG A 237 22.153 101.622 10.929 1.00 47.42 N ATOM 0 H ARG A 237 28.559 97.814 10.265 1.00 17.32 H new ATOM 0 HA ARG A 237 26.899 97.692 8.195 1.00 17.05 H new ATOM 0 HB2 ARG A 237 26.209 97.612 10.502 1.00 20.50 H new ATOM 0 HB3 ARG A 237 26.394 99.159 10.555 1.00 20.50 H new ATOM 0 HG2 ARG A 237 24.692 99.503 9.026 1.00 30.78 H new ATOM 0 HG3 ARG A 237 24.648 97.992 8.644 1.00 30.78 H new ATOM 0 HD2 ARG A 237 22.966 97.895 10.080 1.00 43.10 H new ATOM 0 HD3 ARG A 237 24.080 97.826 11.169 1.00 43.10 H new ATOM 0 HE ARG A 237 23.825 100.025 11.546 1.00 52.99 H new ATOM 0 HH11 ARG A 237 21.624 99.151 9.200 1.00 58.57 H new ATOM 0 HH12 ARG A 237 20.860 100.429 9.234 1.00 58.57 H new ATOM 0 HH21 ARG A 237 22.685 101.930 11.531 1.00 47.42 H new ATOM 0 HH22 ARG A 237 21.503 102.106 10.642 1.00 47.42 H new ATOM 1865 N LEU A 238 28.224 100.594 8.609 1.00 17.23 N ATOM 1866 CA LEU A 238 28.434 101.918 7.960 1.00 17.27 C ATOM 1867 C LEU A 238 29.349 101.759 6.759 1.00 18.79 C ATOM 1868 O LEU A 238 29.008 102.300 5.683 1.00 17.98 O ATOM 1869 CB LEU A 238 29.013 102.942 8.946 1.00 16.59 C ATOM 1870 CG LEU A 238 29.286 104.324 8.358 1.00 17.38 C ATOM 1871 CD1 LEU A 238 27.951 105.000 8.048 1.00 18.59 C ATOM 1872 CD2 LEU A 238 30.069 105.179 9.322 1.00 19.36 C ATOM 0 H LEU A 238 28.679 100.485 9.330 1.00 17.23 H new ATOM 0 HA LEU A 238 27.573 102.253 7.665 1.00 17.27 H new ATOM 0 HB2 LEU A 238 28.398 103.038 9.690 1.00 16.59 H new ATOM 0 HB3 LEU A 238 29.842 102.590 9.307 1.00 16.59 H new ATOM 0 HG LEU A 238 29.811 104.222 7.549 1.00 17.38 H new ATOM 0 HD11 LEU A 238 28.113 105.880 7.673 1.00 18.59 H new ATOM 0 HD12 LEU A 238 27.457 104.463 7.409 1.00 18.59 H new ATOM 0 HD13 LEU A 238 27.435 105.087 8.865 1.00 18.59 H new ATOM 0 HD21 LEU A 238 30.229 106.050 8.926 1.00 19.36 H new ATOM 0 HD22 LEU A 238 29.564 105.286 10.144 1.00 19.36 H new ATOM 0 HD23 LEU A 238 30.918 104.752 9.518 1.00 19.36 H new ATOM 1873 N VAL A 239 30.548 101.160 6.922 1.00 18.21 N ATOM 1874 CA VAL A 239 31.608 101.220 5.882 1.00 18.24 C ATOM 1875 C VAL A 239 31.585 100.022 4.929 1.00 17.74 C ATOM 1876 O VAL A 239 32.366 100.065 3.921 1.00 20.84 O ATOM 1877 CB VAL A 239 33.003 101.484 6.491 1.00 17.79 C ATOM 1878 CG1 VAL A 239 32.967 102.724 7.369 1.00 17.98 C ATOM 1879 CG2 VAL A 239 33.546 100.229 7.206 1.00 19.45 C ATOM 0 H VAL A 239 30.768 100.715 7.624 1.00 18.21 H new ATOM 0 HA VAL A 239 31.402 101.988 5.327 1.00 18.24 H new ATOM 0 HB VAL A 239 33.635 101.669 5.779 1.00 17.79 H new ATOM 0 HG11 VAL A 239 33.847 102.880 7.746 1.00 17.98 H new ATOM 0 HG12 VAL A 239 32.703 103.490 6.836 1.00 17.98 H new ATOM 0 HG13 VAL A 239 32.327 102.594 8.086 1.00 17.98 H new ATOM 0 HG21 VAL A 239 34.421 100.422 7.578 1.00 19.45 H new ATOM 0 HG22 VAL A 239 32.940 99.975 7.920 1.00 19.45 H new ATOM 0 HG23 VAL A 239 33.619 99.500 6.570 1.00 19.45 H new ATOM 1880 N GLY A 240 30.862 98.957 5.252 1.00 16.71 N ATOM 1881 CA GLY A 240 30.737 97.732 4.459 1.00 17.81 C ATOM 1882 C GLY A 240 31.682 96.661 4.987 1.00 19.96 C ATOM 1883 O GLY A 240 32.697 96.994 5.626 1.00 19.12 O ATOM 0 H GLY A 240 30.404 98.924 5.979 1.00 16.71 H new ATOM 0 HA2 GLY A 240 29.823 97.410 4.492 1.00 17.81 H new ATOM 0 HA3 GLY A 240 30.938 97.920 3.529 1.00 17.81 H new ATOM 1884 N THR A 241 31.376 95.394 4.680 1.00 19.74 N ATOM 1885 CA THR A 241 32.324 94.295 5.018 1.00 18.95 C ATOM 1886 C THR A 241 33.550 94.341 4.098 1.00 20.20 C ATOM 1887 O THR A 241 33.538 94.839 2.972 1.00 23.88 O ATOM 1888 CB THR A 241 31.588 92.957 4.912 1.00 20.39 C ATOM 1889 OG1 THR A 241 30.779 92.861 3.735 1.00 19.80 O ATOM 1890 CG2 THR A 241 30.640 92.756 6.074 1.00 20.86 C ATOM 0 H THR A 241 30.652 95.145 4.289 1.00 19.74 H new ATOM 0 HA THR A 241 32.646 94.403 5.927 1.00 18.95 H new ATOM 0 HB THR A 241 32.292 92.290 4.897 1.00 20.39 H new ATOM 0 HG1 THR A 241 31.251 92.599 3.091 1.00 19.80 H new ATOM 0 HG21 THR A 241 30.189 91.902 5.980 1.00 20.86 H new ATOM 0 HG22 THR A 241 31.140 92.768 6.905 1.00 20.86 H new ATOM 0 HG23 THR A 241 29.983 93.469 6.083 1.00 20.86 H new ATOM 1891 N PRO A 242 34.669 93.769 4.546 1.00 20.41 N ATOM 1892 CA PRO A 242 35.880 93.784 3.740 1.00 22.21 C ATOM 1893 C PRO A 242 35.793 92.923 2.492 1.00 25.50 C ATOM 1894 O PRO A 242 35.147 91.898 2.499 1.00 23.80 O ATOM 1895 CB PRO A 242 36.961 93.165 4.593 1.00 24.52 C ATOM 1896 CG PRO A 242 36.295 92.609 5.714 1.00 26.96 C ATOM 1897 CD PRO A 242 34.879 93.163 5.842 1.00 22.86 C ATOM 0 HA PRO A 242 36.041 94.700 3.464 1.00 22.21 H new ATOM 0 HB2 PRO A 242 37.445 92.483 4.101 1.00 24.52 H new ATOM 0 HB3 PRO A 242 37.611 93.830 4.869 1.00 24.52 H new ATOM 0 HG2 PRO A 242 36.261 91.643 5.628 1.00 26.96 H new ATOM 0 HG3 PRO A 242 36.796 92.804 6.521 1.00 26.96 H new ATOM 0 HD2 PRO A 242 34.232 92.464 6.024 1.00 22.86 H new ATOM 0 HD3 PRO A 242 34.807 93.811 6.561 1.00 22.86 H new ATOM 1898 N GLY A 243 36.453 93.456 1.447 1.00 32.29 N ATOM 1899 CA GLY A 243 36.749 92.771 0.180 1.00 34.97 C ATOM 1900 C GLY A 243 38.005 91.897 0.268 1.00 34.26 C ATOM 1901 O GLY A 243 38.706 91.908 1.301 1.00 29.68 O ATOM 0 H GLY A 243 36.752 94.262 1.462 1.00 32.29 H new ATOM 0 HA2 GLY A 243 35.991 92.220 -0.071 1.00 34.97 H new ATOM 0 HA3 GLY A 243 36.865 93.430 -0.522 1.00 34.97 H new ATOM 1902 N ALA A 244 38.267 91.085 -0.770 1.00 36.50 N ATOM 1903 CA ALA A 244 39.304 90.025 -0.762 1.00 34.05 C ATOM 1904 C ALA A 244 40.675 90.673 -0.508 1.00 28.73 C ATOM 1905 O ALA A 244 41.549 90.132 0.167 1.00 28.17 O ATOM 1906 CB ALA A 244 39.279 89.282 -2.088 1.00 40.80 C ATOM 0 H ALA A 244 37.840 91.134 -1.515 1.00 36.50 H new ATOM 0 HA ALA A 244 39.130 89.383 -0.056 1.00 34.05 H new ATOM 0 HB1 ALA A 244 39.957 88.588 -2.083 1.00 40.80 H new ATOM 0 HB2 ALA A 244 38.406 88.879 -2.217 1.00 40.80 H new ATOM 0 HB3 ALA A 244 39.458 89.904 -2.811 1.00 40.80 H new ATOM 1907 N GLU A 245 40.833 91.864 -1.058 1.00 30.12 N ATOM 1908 CA GLU A 245 42.074 92.651 -0.972 1.00 31.15 C ATOM 1909 C GLU A 245 42.439 92.984 0.471 1.00 29.05 C ATOM 1910 O GLU A 245 43.600 92.802 0.867 1.00 28.85 O ATOM 1911 CB GLU A 245 41.823 93.916 -1.774 1.00 35.18 C ATOM 1912 CG GLU A 245 43.080 94.617 -2.172 1.00 39.17 C ATOM 1913 CD GLU A 245 42.781 95.902 -2.940 1.00 42.41 C ATOM 1914 OE1 GLU A 245 41.722 95.978 -3.634 1.00 45.48 O ATOM 1915 OE2 GLU A 245 43.562 96.855 -2.792 1.00 39.58 O ATOM 0 H GLU A 245 40.212 92.256 -1.505 1.00 30.12 H new ATOM 0 HA GLU A 245 42.825 92.147 -1.323 1.00 31.15 H new ATOM 0 HB2 GLU A 245 41.318 93.692 -2.571 1.00 35.18 H new ATOM 0 HB3 GLU A 245 41.274 94.521 -1.251 1.00 35.18 H new ATOM 0 HG2 GLU A 245 43.601 94.825 -1.381 1.00 39.17 H new ATOM 0 HG3 GLU A 245 43.621 94.028 -2.721 1.00 39.17 H new ATOM 1916 N LEU A 246 41.490 93.495 1.282 1.00 25.36 N ATOM 1917 CA LEU A 246 41.819 93.739 2.688 1.00 24.35 C ATOM 1918 C LEU A 246 41.961 92.403 3.466 1.00 23.75 C ATOM 1919 O LEU A 246 42.832 92.339 4.327 1.00 27.73 O ATOM 1920 CB LEU A 246 40.769 94.687 3.307 1.00 25.37 C ATOM 1921 CG LEU A 246 40.919 94.900 4.802 1.00 27.39 C ATOM 1922 CD1 LEU A 246 42.214 95.582 5.194 1.00 26.79 C ATOM 1923 CD2 LEU A 246 39.737 95.714 5.287 1.00 29.67 C ATOM 0 H LEU A 246 40.688 93.697 1.045 1.00 25.36 H new ATOM 0 HA LEU A 246 42.682 94.178 2.750 1.00 24.35 H new ATOM 0 HB2 LEU A 246 40.824 95.547 2.862 1.00 25.37 H new ATOM 0 HB3 LEU A 246 39.884 94.332 3.129 1.00 25.37 H new ATOM 0 HG LEU A 246 40.944 94.026 5.221 1.00 27.39 H new ATOM 0 HD11 LEU A 246 42.246 95.687 6.158 1.00 26.79 H new ATOM 0 HD12 LEU A 246 42.965 95.042 4.903 1.00 26.79 H new ATOM 0 HD13 LEU A 246 42.261 96.454 4.772 1.00 26.79 H new ATOM 0 HD21 LEU A 246 39.815 95.861 6.243 1.00 29.67 H new ATOM 0 HD22 LEU A 246 39.723 96.569 4.829 1.00 29.67 H new ATOM 0 HD23 LEU A 246 38.915 95.234 5.100 1.00 29.67 H new ATOM 1924 N LEU A 247 41.133 91.383 3.222 1.00 23.86 N ATOM 1925 CA LEU A 247 41.202 90.080 3.955 1.00 29.10 C ATOM 1926 C LEU A 247 42.606 89.469 3.855 1.00 27.72 C ATOM 1927 O LEU A 247 43.101 88.975 4.893 1.00 31.58 O ATOM 1928 CB LEU A 247 40.164 89.123 3.374 1.00 30.29 C ATOM 1929 CG LEU A 247 38.741 89.407 3.817 1.00 30.89 C ATOM 1930 CD1 LEU A 247 37.754 88.692 2.912 1.00 35.70 C ATOM 1931 CD2 LEU A 247 38.568 88.997 5.276 1.00 34.98 C ATOM 0 H LEU A 247 40.511 91.414 2.629 1.00 23.86 H new ATOM 0 HA LEU A 247 41.012 90.235 4.894 1.00 29.10 H new ATOM 0 HB2 LEU A 247 40.205 89.166 2.406 1.00 30.29 H new ATOM 0 HB3 LEU A 247 40.397 88.216 3.628 1.00 30.29 H new ATOM 0 HG LEU A 247 38.562 90.358 3.747 1.00 30.89 H new ATOM 0 HD11 LEU A 247 36.849 88.882 3.206 1.00 35.70 H new ATOM 0 HD12 LEU A 247 37.869 89.001 2.000 1.00 35.70 H new ATOM 0 HD13 LEU A 247 37.912 87.736 2.951 1.00 35.70 H new ATOM 0 HD21 LEU A 247 37.658 89.179 5.558 1.00 34.98 H new ATOM 0 HD22 LEU A 247 38.752 88.049 5.370 1.00 34.98 H new ATOM 0 HD23 LEU A 247 39.184 89.502 5.829 1.00 34.98 H new ATOM 1932 N LYS A 248 43.264 89.659 2.730 1.00 28.65 N ATOM 1933 CA LYS A 248 44.662 89.158 2.496 1.00 34.03 C ATOM 1934 C LYS A 248 45.655 89.831 3.461 1.00 37.89 C ATOM 1935 O LYS A 248 46.663 89.203 3.809 1.00 38.40 O ATOM 1936 CB LYS A 248 45.058 89.425 1.043 1.00 36.75 C ATOM 1937 CG LYS A 248 44.662 88.349 0.041 1.00 45.89 C ATOM 0 H LYS A 248 42.933 90.083 2.059 1.00 28.65 H new ATOM 0 HA LYS A 248 44.688 88.203 2.665 1.00 34.03 H new ATOM 0 HB2 LYS A 248 44.659 90.264 0.766 1.00 36.75 H new ATOM 0 HB3 LYS A 248 46.020 89.542 1.004 1.00 36.75 H new ATOM 1938 N LYS A 249 45.388 91.060 3.923 1.00 30.20 N ATOM 1939 CA LYS A 249 46.273 91.878 4.809 1.00 29.73 C ATOM 1940 C LYS A 249 46.113 91.554 6.295 1.00 29.99 C ATOM 1941 O LYS A 249 46.951 92.032 7.107 1.00 33.17 O ATOM 1942 CB LYS A 249 45.969 93.351 4.529 1.00 32.36 C ATOM 1943 CG LYS A 249 46.227 93.771 3.112 1.00 31.67 C ATOM 1944 CD LYS A 249 46.092 95.265 2.865 1.00 34.47 C ATOM 1945 CE LYS A 249 45.835 95.527 1.396 1.00 32.65 C ATOM 1946 NZ LYS A 249 45.768 96.958 1.023 1.00 29.41 N ATOM 0 H LYS A 249 44.657 91.467 3.726 1.00 30.20 H new ATOM 0 HA LYS A 249 47.198 91.667 4.606 1.00 29.73 H new ATOM 0 HB2 LYS A 249 45.039 93.526 4.744 1.00 32.36 H new ATOM 0 HB3 LYS A 249 46.505 93.900 5.122 1.00 32.36 H new ATOM 0 HG2 LYS A 249 47.122 93.492 2.862 1.00 31.67 H new ATOM 0 HG3 LYS A 249 45.610 93.301 2.529 1.00 31.67 H new ATOM 0 HD2 LYS A 249 45.365 95.624 3.397 1.00 34.47 H new ATOM 0 HD3 LYS A 249 46.901 95.721 3.146 1.00 34.47 H new ATOM 0 HE2 LYS A 249 46.536 95.103 0.877 1.00 32.65 H new ATOM 0 HE3 LYS A 249 45.000 95.101 1.146 1.00 32.65 H new ATOM 0 HZ1 LYS A 249 45.863 97.040 0.142 1.00 29.41 H new ATOM 0 HZ2 LYS A 249 44.981 97.292 1.269 1.00 29.41 H new ATOM 0 HZ3 LYS A 249 46.420 97.403 1.434 1.00 29.41 H new ATOM 1947 N ILE A 250 45.059 90.814 6.667 1.00 30.96 N ATOM 1948 CA ILE A 250 44.794 90.352 8.053 1.00 34.56 C ATOM 1949 C ILE A 250 45.610 89.077 8.313 1.00 40.73 C ATOM 1950 O ILE A 250 45.275 88.006 7.730 1.00 35.70 O ATOM 1951 CB ILE A 250 43.282 90.172 8.269 1.00 32.38 C ATOM 1952 CG1 ILE A 250 42.578 91.514 8.007 1.00 36.67 C ATOM 1953 CG2 ILE A 250 43.013 89.601 9.650 1.00 35.45 C ATOM 1954 CD1 ILE A 250 41.097 91.520 8.252 1.00 34.71 C ATOM 0 H ILE A 250 44.458 90.557 6.108 1.00 30.96 H new ATOM 0 HA ILE A 250 45.079 91.014 8.702 1.00 34.56 H new ATOM 0 HB ILE A 250 42.917 89.529 7.641 1.00 32.38 H new ATOM 0 HG12 ILE A 250 42.986 92.192 8.568 1.00 36.67 H new ATOM 0 HG13 ILE A 250 42.740 91.773 7.086 1.00 36.67 H new ATOM 0 HG21 ILE A 250 42.057 89.492 9.775 1.00 35.45 H new ATOM 0 HG22 ILE A 250 43.450 88.739 9.735 1.00 35.45 H new ATOM 0 HG23 ILE A 250 43.360 90.207 10.324 1.00 35.45 H new ATOM 0 HD11 ILE A 250 40.741 92.402 8.062 1.00 34.71 H new ATOM 0 HD12 ILE A 250 40.671 90.868 7.674 1.00 34.71 H new ATOM 0 HD13 ILE A 250 40.921 91.294 9.179 1.00 34.71 H new ATOM 1955 N SER A 251 46.562 89.183 9.247 1.00 50.59 N ATOM 1956 CA SER A 251 47.618 88.184 9.567 1.00 52.65 C ATOM 1957 C SER A 251 47.060 87.034 10.400 1.00 55.56 C ATOM 1958 O SER A 251 47.494 85.903 10.168 1.00 56.40 O ATOM 1959 CB SER A 251 48.776 88.851 10.262 1.00 56.98 C ATOM 1960 OG SER A 251 49.217 89.979 9.506 1.00 51.01 O ATOM 0 H SER A 251 46.620 89.881 9.747 1.00 50.59 H new ATOM 0 HA SER A 251 47.940 87.805 8.734 1.00 52.65 H new ATOM 0 HB2 SER A 251 48.510 89.132 11.151 1.00 56.98 H new ATOM 0 HB3 SER A 251 49.505 88.220 10.370 1.00 56.98 H new ATOM 0 HG SER A 251 49.861 90.346 9.900 1.00 51.01 H new ATOM 1961 N SER A 252 46.144 87.292 11.335 1.00 49.30 N ATOM 1962 CA SER A 252 45.470 86.219 12.109 1.00 52.80 C ATOM 1963 C SER A 252 44.494 85.498 11.181 1.00 55.85 C ATOM 1964 O SER A 252 43.613 86.198 10.626 1.00 42.40 O ATOM 1965 CB SER A 252 44.786 86.754 13.354 1.00 52.42 C ATOM 1966 OG SER A 252 43.913 85.773 13.885 1.00 61.00 O ATOM 0 H SER A 252 45.890 88.087 11.545 1.00 49.30 H new ATOM 0 HA SER A 252 46.134 85.589 12.431 1.00 52.80 H new ATOM 0 HB2 SER A 252 45.450 87.000 14.017 1.00 52.42 H new ATOM 0 HB3 SER A 252 44.289 87.558 13.139 1.00 52.42 H new ATOM 0 HG SER A 252 43.612 86.036 14.624 1.00 61.00 H new ATOM 1967 N GLU A 253 44.675 84.181 11.001 1.00 47.22 N ATOM 1968 CA GLU A 253 43.730 83.251 10.322 1.00 50.68 C ATOM 1969 C GLU A 253 42.403 83.240 11.075 1.00 46.01 C ATOM 1970 O GLU A 253 41.335 83.101 10.422 1.00 46.64 O ATOM 1971 CB GLU A 253 44.255 81.803 10.234 1.00 57.29 C ATOM 1972 CG GLU A 253 43.336 80.856 9.438 1.00 59.80 C ATOM 1973 CD GLU A 253 43.684 79.369 9.333 1.00 69.29 C ATOM 1974 OE1 GLU A 253 44.676 78.923 9.961 1.00 60.33 O ATOM 1975 OE2 GLU A 253 42.942 78.638 8.611 1.00 66.07 O ATOM 0 H GLU A 253 45.382 83.780 11.282 1.00 47.22 H new ATOM 0 HA GLU A 253 43.623 83.578 9.415 1.00 50.68 H new ATOM 0 HB2 GLU A 253 45.133 81.811 9.822 1.00 57.29 H new ATOM 0 HB3 GLU A 253 44.366 81.453 11.132 1.00 57.29 H new ATOM 0 HG2 GLU A 253 42.449 80.919 9.826 1.00 59.80 H new ATOM 0 HG3 GLU A 253 43.275 81.204 8.534 1.00 59.80 H new ATOM 1976 N SER A 254 42.424 83.221 12.413 1.00 45.18 N ATOM 1977 CA SER A 254 41.151 83.170 13.172 1.00 45.77 C ATOM 1978 C SER A 254 40.386 84.483 12.942 1.00 31.27 C ATOM 1979 O SER A 254 39.149 84.352 12.739 1.00 37.14 O ATOM 1980 CB SER A 254 41.353 82.888 14.633 1.00 44.83 C ATOM 1981 OG SER A 254 42.457 83.620 15.123 1.00 48.49 O ATOM 0 H SER A 254 43.137 83.236 12.894 1.00 45.18 H new ATOM 0 HA SER A 254 40.625 82.425 12.841 1.00 45.77 H new ATOM 0 HB2 SER A 254 40.554 83.125 15.129 1.00 44.83 H new ATOM 0 HB3 SER A 254 41.500 81.939 14.769 1.00 44.83 H new ATOM 0 HG SER A 254 42.610 84.270 14.614 1.00 48.49 H new ATOM 1982 N ALA A 255 41.082 85.623 12.971 1.00 39.25 N ATOM 1983 CA ALA A 255 40.492 86.962 12.664 1.00 33.53 C ATOM 1984 C ALA A 255 39.896 86.940 11.243 1.00 36.72 C ATOM 1985 O ALA A 255 38.705 87.300 11.084 1.00 32.18 O ATOM 1986 CB ALA A 255 41.465 88.070 12.871 1.00 37.31 C ATOM 0 H ALA A 255 41.918 85.655 13.170 1.00 39.25 H new ATOM 0 HA ALA A 255 39.774 87.142 13.291 1.00 33.53 H new ATOM 0 HB1 ALA A 255 41.041 88.917 12.661 1.00 37.31 H new ATOM 0 HB2 ALA A 255 41.757 88.076 13.796 1.00 37.31 H new ATOM 0 HB3 ALA A 255 42.232 87.940 12.291 1.00 37.31 H new ATOM 1987 N ARG A 256 40.604 86.433 10.225 1.00 39.63 N ATOM 1988 CA ARG A 256 39.994 86.269 8.859 1.00 38.08 C ATOM 1989 C ARG A 256 38.788 85.324 8.840 1.00 36.59 C ATOM 1990 O ARG A 256 37.733 85.636 8.210 1.00 32.85 O ATOM 1991 CB ARG A 256 40.983 85.655 7.866 1.00 42.02 C ATOM 1992 CG ARG A 256 41.998 86.631 7.304 1.00 39.09 C ATOM 1993 CD ARG A 256 42.777 86.068 6.098 1.00 38.32 C ATOM 1994 NE ARG A 256 43.202 84.674 6.287 1.00 43.93 N ATOM 1995 CZ ARG A 256 44.375 84.269 6.782 1.00 49.03 C ATOM 1996 NH1 ARG A 256 45.304 85.139 7.135 1.00 52.17 N ATOM 1997 NH2 ARG A 256 44.633 82.979 6.919 1.00 55.07 N ATOM 0 H ARG A 256 41.423 86.178 10.285 1.00 39.63 H new ATOM 0 HA ARG A 256 39.732 87.170 8.615 1.00 38.08 H new ATOM 0 HB2 ARG A 256 41.456 84.931 8.304 1.00 42.02 H new ATOM 0 HB3 ARG A 256 40.485 85.265 7.131 1.00 42.02 H new ATOM 0 HG2 ARG A 256 41.542 87.444 7.036 1.00 39.09 H new ATOM 0 HG3 ARG A 256 42.626 86.874 8.002 1.00 39.09 H new ATOM 0 HD2 ARG A 256 42.221 86.126 5.305 1.00 38.32 H new ATOM 0 HD3 ARG A 256 43.558 86.620 5.938 1.00 38.32 H new ATOM 0 HE ARG A 256 42.643 84.062 6.058 1.00 43.93 H new ATOM 0 HH11 ARG A 256 45.159 85.982 7.048 1.00 52.17 H new ATOM 0 HH12 ARG A 256 46.054 84.862 7.452 1.00 52.17 H new ATOM 0 HH21 ARG A 256 44.044 82.396 6.689 1.00 55.07 H new ATOM 0 HH22 ARG A 256 45.390 82.723 7.238 1.00 55.07 H new ATOM 1998 N ASN A 257 38.871 84.166 9.514 1.00 33.94 N ATOM 1999 CA ASN A 257 37.728 83.225 9.569 1.00 37.70 C ATOM 2000 C ASN A 257 36.527 83.914 10.205 1.00 30.49 C ATOM 2001 O ASN A 257 35.349 83.655 9.779 1.00 34.36 O ATOM 2002 CB ASN A 257 38.002 81.957 10.401 1.00 41.34 C ATOM 2003 CG ASN A 257 38.337 80.760 9.553 1.00 44.34 C ATOM 2004 OD1 ASN A 257 37.781 80.587 8.474 1.00 51.68 O ATOM 2005 ND2 ASN A 257 39.280 79.961 10.015 1.00 46.75 N ATOM 0 H ASN A 257 39.570 83.906 9.942 1.00 33.94 H new ATOM 0 HA ASN A 257 37.567 82.961 8.650 1.00 37.70 H new ATOM 0 HB2 ASN A 257 38.735 82.129 11.013 1.00 41.34 H new ATOM 0 HB3 ASN A 257 37.222 81.756 10.942 1.00 41.34 H new ATOM 0 HD21 ASN A 257 39.532 79.281 9.553 1.00 46.75 H new ATOM 0 HD22 ASN A 257 39.643 80.121 10.778 1.00 46.75 H new ATOM 2006 N TYR A 258 36.779 84.680 11.277 1.00 30.19 N ATOM 2007 CA TYR A 258 35.629 85.301 11.962 1.00 27.79 C ATOM 2008 C TYR A 258 34.970 86.302 10.974 1.00 23.94 C ATOM 2009 O TYR A 258 33.785 86.284 10.805 1.00 25.75 O ATOM 2010 CB TYR A 258 35.985 85.924 13.320 1.00 26.35 C ATOM 2011 CG TYR A 258 34.811 86.677 13.853 1.00 25.69 C ATOM 2012 CD1 TYR A 258 33.612 86.048 14.193 1.00 23.40 C ATOM 2013 CD2 TYR A 258 34.810 88.064 13.930 1.00 24.82 C ATOM 2014 CE1 TYR A 258 32.473 86.714 14.580 1.00 27.92 C ATOM 2015 CE2 TYR A 258 33.662 88.755 14.296 1.00 24.46 C ATOM 2016 CZ TYR A 258 32.500 88.102 14.643 1.00 22.87 C ATOM 2017 OH TYR A 258 31.350 88.695 14.981 1.00 23.29 O ATOM 0 H TYR A 258 37.555 84.847 11.608 1.00 30.19 H new ATOM 0 HA TYR A 258 34.987 84.613 12.198 1.00 27.79 H new ATOM 0 HB2 TYR A 258 36.246 85.230 13.945 1.00 26.35 H new ATOM 0 HB3 TYR A 258 36.745 86.519 13.223 1.00 26.35 H new ATOM 0 HD1 TYR A 258 33.582 85.119 14.155 1.00 23.40 H new ATOM 0 HD2 TYR A 258 35.587 88.536 13.734 1.00 24.82 H new ATOM 0 HE1 TYR A 258 31.700 86.245 14.795 1.00 27.92 H new ATOM 0 HE2 TYR A 258 33.678 89.685 14.307 1.00 24.46 H new ATOM 0 HH TYR A 258 31.458 89.528 14.995 1.00 23.29 H new ATOM 2018 N ILE A 259 35.758 87.167 10.343 1.00 29.67 N ATOM 2019 CA ILE A 259 35.159 88.184 9.402 1.00 31.32 C ATOM 2020 C ILE A 259 34.308 87.513 8.334 1.00 31.42 C ATOM 2021 O ILE A 259 33.208 88.012 8.013 1.00 29.85 O ATOM 2022 CB ILE A 259 36.256 88.989 8.708 1.00 35.16 C ATOM 2023 CG1 ILE A 259 36.980 89.861 9.716 1.00 38.26 C ATOM 2024 CG2 ILE A 259 35.659 89.838 7.570 1.00 39.44 C ATOM 2025 CD1 ILE A 259 38.266 90.376 9.168 1.00 40.97 C ATOM 0 H ILE A 259 36.613 87.202 10.425 1.00 29.67 H new ATOM 0 HA ILE A 259 34.602 88.773 9.936 1.00 31.32 H new ATOM 0 HB ILE A 259 36.899 88.376 8.319 1.00 35.16 H new ATOM 0 HG12 ILE A 259 36.412 90.606 9.967 1.00 38.26 H new ATOM 0 HG13 ILE A 259 37.152 89.351 10.523 1.00 38.26 H new ATOM 0 HG21 ILE A 259 36.365 90.343 7.138 1.00 39.44 H new ATOM 0 HG22 ILE A 259 35.235 89.256 6.920 1.00 39.44 H new ATOM 0 HG23 ILE A 259 35.000 90.450 7.934 1.00 39.44 H new ATOM 0 HD11 ILE A 259 38.704 90.928 9.834 1.00 40.97 H new ATOM 0 HD12 ILE A 259 38.842 89.630 8.938 1.00 40.97 H new ATOM 0 HD13 ILE A 259 38.091 90.905 8.374 1.00 40.97 H new ATOM 2026 N GLN A 260 34.821 86.421 7.772 1.00 34.16 N ATOM 2027 CA GLN A 260 34.141 85.643 6.697 1.00 33.88 C ATOM 2028 C GLN A 260 32.868 84.972 7.192 1.00 36.27 C ATOM 2029 O GLN A 260 31.969 84.695 6.369 1.00 37.40 O ATOM 2030 CB GLN A 260 35.174 84.701 6.088 1.00 39.34 C ATOM 2031 CG GLN A 260 36.286 85.512 5.439 1.00 42.36 C ATOM 2032 CD GLN A 260 37.164 84.644 4.584 1.00 51.45 C ATOM 2033 OE1 GLN A 260 38.195 84.134 5.026 1.00 58.64 O ATOM 2034 NE2 GLN A 260 36.706 84.436 3.364 1.00 49.82 N ATOM 0 H GLN A 260 35.584 86.095 7.998 1.00 34.16 H new ATOM 0 HA GLN A 260 33.818 86.227 5.993 1.00 33.88 H new ATOM 0 HB2 GLN A 260 35.542 84.122 6.774 1.00 39.34 H new ATOM 0 HB3 GLN A 260 34.753 84.127 5.429 1.00 39.34 H new ATOM 0 HG2 GLN A 260 35.901 86.219 4.898 1.00 42.36 H new ATOM 0 HG3 GLN A 260 36.821 85.940 6.126 1.00 42.36 H new ATOM 0 HE21 GLN A 260 35.980 84.818 3.106 1.00 49.82 H new ATOM 0 HE22 GLN A 260 37.134 83.918 2.827 1.00 49.82 H new ATOM 2035 N SER A 261 32.711 84.810 8.504 1.00 32.67 N ATOM 2036 CA SER A 261 31.454 84.271 9.068 1.00 32.22 C ATOM 2037 C SER A 261 30.324 85.306 9.008 1.00 31.28 C ATOM 2038 O SER A 261 29.162 84.909 9.232 1.00 31.44 O ATOM 2039 CB SER A 261 31.669 83.768 10.497 1.00 30.34 C ATOM 2040 OG SER A 261 31.692 84.857 11.425 1.00 32.01 O ATOM 0 H SER A 261 33.311 85.002 9.089 1.00 32.67 H new ATOM 0 HA SER A 261 31.185 83.516 8.522 1.00 32.22 H new ATOM 0 HB2 SER A 261 30.961 83.150 10.736 1.00 30.34 H new ATOM 0 HB3 SER A 261 32.504 83.277 10.549 1.00 30.34 H new ATOM 0 HG SER A 261 32.305 85.392 11.215 1.00 32.01 H new ATOM 2041 N LEU A 262 30.607 86.609 8.750 1.00 27.30 N ATOM 2042 CA LEU A 262 29.541 87.642 8.762 1.00 27.79 C ATOM 2043 C LEU A 262 28.934 87.780 7.347 1.00 26.29 C ATOM 2044 O LEU A 262 29.715 87.788 6.398 1.00 27.03 O ATOM 2045 CB LEU A 262 30.120 88.971 9.260 1.00 26.74 C ATOM 2046 CG LEU A 262 30.865 88.939 10.605 1.00 27.88 C ATOM 2047 CD1 LEU A 262 31.410 90.328 10.966 1.00 29.82 C ATOM 2048 CD2 LEU A 262 29.882 88.478 11.658 1.00 28.81 C ATOM 0 H LEU A 262 31.393 86.907 8.570 1.00 27.30 H new ATOM 0 HA LEU A 262 28.830 87.379 9.367 1.00 27.79 H new ATOM 0 HB2 LEU A 262 30.729 89.308 8.584 1.00 26.74 H new ATOM 0 HB3 LEU A 262 29.394 89.610 9.331 1.00 26.74 H new ATOM 0 HG LEU A 262 31.622 88.336 10.550 1.00 27.88 H new ATOM 0 HD11 LEU A 262 31.875 90.283 11.816 1.00 29.82 H new ATOM 0 HD12 LEU A 262 32.026 90.623 10.277 1.00 29.82 H new ATOM 0 HD13 LEU A 262 30.675 90.957 11.033 1.00 29.82 H new ATOM 0 HD21 LEU A 262 30.323 88.447 12.521 1.00 28.81 H new ATOM 0 HD22 LEU A 262 29.136 89.097 11.698 1.00 28.81 H new ATOM 0 HD23 LEU A 262 29.555 87.594 11.431 1.00 28.81 H new ATOM 2049 N ALA A 263 27.649 87.981 7.270 1.00 25.58 N ATOM 2050 CA ALA A 263 26.926 88.229 6.008 1.00 26.89 C ATOM 2051 C ALA A 263 27.517 89.503 5.379 1.00 26.03 C ATOM 2052 O ALA A 263 27.746 90.457 6.095 1.00 25.02 O ATOM 2053 CB ALA A 263 25.460 88.384 6.241 1.00 31.14 C ATOM 0 H ALA A 263 27.137 87.981 7.961 1.00 25.58 H new ATOM 0 HA ALA A 263 27.033 87.472 5.411 1.00 26.89 H new ATOM 0 HB1 ALA A 263 25.013 88.545 5.395 1.00 31.14 H new ATOM 0 HB2 ALA A 263 25.109 87.574 6.643 1.00 31.14 H new ATOM 0 HB3 ALA A 263 25.304 89.133 6.837 1.00 31.14 H new ATOM 2054 N GLN A 264 27.676 89.528 4.067 1.00 26.67 N ATOM 2055 CA GLN A 264 28.249 90.718 3.391 1.00 25.86 C ATOM 2056 C GLN A 264 27.248 91.882 3.417 1.00 23.89 C ATOM 2057 O GLN A 264 25.983 91.688 3.407 1.00 26.30 O ATOM 2058 CB GLN A 264 28.764 90.281 2.013 1.00 28.57 C ATOM 2059 CG GLN A 264 29.947 89.311 2.127 1.00 29.29 C ATOM 2060 CD GLN A 264 30.667 88.962 0.850 1.00 36.62 C ATOM 2061 OE1 GLN A 264 31.376 89.786 0.256 1.00 35.15 O ATOM 2062 NE2 GLN A 264 30.448 87.731 0.392 1.00 31.30 N ATOM 0 H GLN A 264 27.466 88.881 3.541 1.00 26.67 H new ATOM 0 HA GLN A 264 29.019 91.078 3.857 1.00 25.86 H new ATOM 0 HB2 GLN A 264 28.045 89.857 1.519 1.00 28.57 H new ATOM 0 HB3 GLN A 264 29.034 91.063 1.506 1.00 28.57 H new ATOM 0 HG2 GLN A 264 30.592 89.692 2.743 1.00 29.29 H new ATOM 0 HG3 GLN A 264 29.625 88.488 2.527 1.00 29.29 H new ATOM 0 HE21 GLN A 264 29.949 87.190 0.836 1.00 31.30 H new ATOM 0 HE22 GLN A 264 30.806 87.477 -0.348 1.00 31.30 H new ATOM 2063 N MET A 265 27.781 93.104 3.533 1.00 21.03 N ATOM 2064 CA MET A 265 26.979 94.351 3.614 1.00 21.51 C ATOM 2065 C MET A 265 27.709 95.412 2.774 1.00 18.38 C ATOM 2066 O MET A 265 28.947 95.500 2.825 1.00 19.12 O ATOM 2067 CB MET A 265 26.876 94.891 5.039 1.00 25.06 C ATOM 2068 CG MET A 265 26.138 93.933 6.033 1.00 25.77 C ATOM 2069 SD MET A 265 26.128 94.644 7.745 1.00 28.27 S ATOM 2070 CE MET A 265 27.855 94.468 8.171 1.00 24.13 C ATOM 0 H MET A 265 28.629 93.241 3.568 1.00 21.03 H new ATOM 0 HA MET A 265 26.082 94.158 3.300 1.00 21.51 H new ATOM 0 HB2 MET A 265 27.770 95.064 5.375 1.00 25.06 H new ATOM 0 HB3 MET A 265 26.411 95.742 5.019 1.00 25.06 H new ATOM 0 HG2 MET A 265 25.227 93.788 5.733 1.00 25.77 H new ATOM 0 HG3 MET A 265 26.576 93.067 6.040 1.00 25.77 H new ATOM 0 HE1 MET A 265 27.968 94.597 9.126 1.00 24.13 H new ATOM 0 HE2 MET A 265 28.160 93.580 7.927 1.00 24.13 H new ATOM 0 HE3 MET A 265 28.376 95.132 7.692 1.00 24.13 H new ATOM 2071 N PRO A 266 26.970 96.256 2.028 1.00 21.46 N ATOM 2072 CA PRO A 266 27.602 97.343 1.262 1.00 19.06 C ATOM 2073 C PRO A 266 27.849 98.587 2.140 1.00 18.66 C ATOM 2074 O PRO A 266 27.161 98.801 3.138 1.00 21.90 O ATOM 2075 CB PRO A 266 26.501 97.664 0.201 1.00 21.21 C ATOM 2076 CG PRO A 266 25.253 97.427 0.948 1.00 22.71 C ATOM 2077 CD PRO A 266 25.499 96.203 1.840 1.00 23.49 C ATOM 0 HA PRO A 266 28.467 97.100 0.897 1.00 19.06 H new ATOM 0 HB2 PRO A 266 26.563 98.578 -0.117 1.00 21.21 H new ATOM 0 HB3 PRO A 266 26.571 97.088 -0.576 1.00 21.21 H new ATOM 0 HG2 PRO A 266 25.019 98.202 1.483 1.00 22.71 H new ATOM 0 HG3 PRO A 266 24.513 97.268 0.341 1.00 22.71 H new ATOM 0 HD2 PRO A 266 25.022 96.265 2.682 1.00 23.49 H new ATOM 0 HD3 PRO A 266 25.216 95.379 1.413 1.00 23.49 H new ATOM 2078 N LYS A 267 28.805 99.443 1.758 1.00 18.79 N ATOM 2079 CA LYS A 267 28.987 100.796 2.359 1.00 17.11 C ATOM 2080 C LYS A 267 27.665 101.559 2.301 1.00 17.82 C ATOM 2081 O LYS A 267 27.066 101.551 1.189 1.00 19.53 O ATOM 2082 CB LYS A 267 30.097 101.541 1.599 1.00 21.62 C ATOM 2083 CG LYS A 267 30.339 102.983 2.068 1.00 23.07 C ATOM 2084 CD LYS A 267 31.253 103.819 1.170 1.00 24.32 C ATOM 2085 CE LYS A 267 31.132 105.292 1.478 1.00 26.82 C ATOM 2086 NZ LYS A 267 29.741 105.754 1.190 1.00 25.20 N ATOM 0 H LYS A 267 29.375 99.263 1.140 1.00 18.79 H new ATOM 0 HA LYS A 267 29.251 100.719 3.289 1.00 17.11 H new ATOM 0 HB2 LYS A 267 30.924 101.042 1.688 1.00 21.62 H new ATOM 0 HB3 LYS A 267 29.873 101.554 0.655 1.00 21.62 H new ATOM 0 HG2 LYS A 267 29.482 103.432 2.140 1.00 23.07 H new ATOM 0 HG3 LYS A 267 30.721 102.958 2.959 1.00 23.07 H new ATOM 0 HD2 LYS A 267 32.173 103.536 1.290 1.00 24.32 H new ATOM 0 HD3 LYS A 267 31.027 103.662 0.240 1.00 24.32 H new ATOM 0 HE2 LYS A 267 31.350 105.456 2.409 1.00 26.82 H new ATOM 0 HE3 LYS A 267 31.767 105.796 0.945 1.00 26.82 H new ATOM 0 HZ1 LYS A 267 29.723 106.643 1.160 1.00 25.20 H new ATOM 0 HZ2 LYS A 267 29.475 105.426 0.406 1.00 25.20 H new ATOM 0 HZ3 LYS A 267 29.194 105.468 1.831 1.00 25.20 H new ATOM 2087 N MET A 268 27.280 102.218 3.380 1.00 16.74 N ATOM 2088 CA MET A 268 26.050 103.054 3.387 1.00 17.01 C ATOM 2089 C MET A 268 26.279 104.395 2.676 1.00 17.05 C ATOM 2090 O MET A 268 27.433 104.839 2.432 1.00 17.24 O ATOM 2091 CB MET A 268 25.545 103.314 4.813 1.00 19.30 C ATOM 2092 CG MET A 268 25.052 102.091 5.418 1.00 19.99 C ATOM 2093 SD MET A 268 24.440 102.205 7.161 1.00 25.53 S ATOM 2094 CE MET A 268 22.992 103.222 6.935 1.00 28.29 C ATOM 0 H MET A 268 27.705 102.206 4.127 1.00 16.74 H new ATOM 0 HA MET A 268 25.374 102.552 2.905 1.00 17.01 H new ATOM 0 HB2 MET A 268 26.263 103.680 5.353 1.00 19.30 H new ATOM 0 HB3 MET A 268 24.838 103.978 4.794 1.00 19.30 H new ATOM 0 HG2 MET A 268 24.330 101.751 4.866 1.00 19.99 H new ATOM 0 HG3 MET A 268 25.764 101.433 5.391 1.00 19.99 H new ATOM 0 HE1 MET A 268 22.517 103.301 7.777 1.00 28.29 H new ATOM 0 HE2 MET A 268 23.260 104.103 6.631 1.00 28.29 H new ATOM 0 HE3 MET A 268 22.411 102.815 6.273 1.00 28.29 H new ATOM 2095 N ASN A 269 25.168 105.092 2.351 1.00 17.59 N ATOM 2096 CA ASN A 269 25.154 106.468 1.801 1.00 18.04 C ATOM 2097 C ASN A 269 25.387 107.489 2.919 1.00 18.09 C ATOM 2098 O ASN A 269 24.514 107.617 3.772 1.00 19.22 O ATOM 2099 CB ASN A 269 23.846 106.777 1.042 1.00 15.22 C ATOM 2100 CG ASN A 269 23.819 108.212 0.461 1.00 22.09 C ATOM 2101 OD1 ASN A 269 24.357 109.120 1.012 1.00 27.93 O ATOM 2102 ND2 ASN A 269 23.350 108.264 -0.837 1.00 16.63 N ATOM 0 H ASN A 269 24.378 104.765 2.448 1.00 17.59 H new ATOM 0 HA ASN A 269 25.878 106.533 1.158 1.00 18.04 H new ATOM 0 HB2 ASN A 269 23.736 106.138 0.321 1.00 15.22 H new ATOM 0 HB3 ASN A 269 23.093 106.660 1.642 1.00 15.22 H new ATOM 0 HD21 ASN A 269 23.439 108.985 -1.298 1.00 16.63 H new ATOM 0 HD22 ASN A 269 22.969 107.576 -1.184 1.00 16.63 H new ATOM 2103 N PHE A 270 26.592 108.077 3.000 1.00 18.19 N ATOM 2104 CA PHE A 270 26.937 108.992 4.135 1.00 16.87 C ATOM 2105 C PHE A 270 26.048 110.230 4.191 1.00 18.72 C ATOM 2106 O PHE A 270 25.821 110.837 5.248 1.00 18.61 O ATOM 2107 CB PHE A 270 28.418 109.351 4.166 1.00 17.57 C ATOM 2108 CG PHE A 270 29.359 108.319 4.790 1.00 18.35 C ATOM 2109 CD1 PHE A 270 29.158 106.953 4.617 1.00 19.72 C ATOM 2110 CD2 PHE A 270 30.495 108.757 5.470 1.00 19.44 C ATOM 2111 CE1 PHE A 270 30.085 106.019 5.104 1.00 20.49 C ATOM 2112 CE2 PHE A 270 31.444 107.813 5.930 1.00 18.71 C ATOM 2113 CZ PHE A 270 31.210 106.466 5.760 1.00 19.20 C ATOM 0 H PHE A 270 27.221 107.969 2.424 1.00 18.19 H new ATOM 0 HA PHE A 270 26.754 108.488 4.943 1.00 16.87 H new ATOM 0 HB2 PHE A 270 28.709 109.516 3.256 1.00 17.57 H new ATOM 0 HB3 PHE A 270 28.518 110.185 4.651 1.00 17.57 H new ATOM 0 HD1 PHE A 270 28.398 106.655 4.172 1.00 19.72 H new ATOM 0 HD2 PHE A 270 30.628 109.665 5.621 1.00 19.44 H new ATOM 0 HE1 PHE A 270 29.941 105.108 4.985 1.00 20.49 H new ATOM 0 HE2 PHE A 270 32.224 108.101 6.346 1.00 18.71 H new ATOM 0 HZ PHE A 270 31.821 105.849 6.093 1.00 19.20 H new ATOM 2114 N ALA A 271 25.541 110.733 3.038 1.00 18.65 N ATOM 2115 CA ALA A 271 24.596 111.887 3.046 1.00 20.05 C ATOM 2116 C ALA A 271 23.287 111.524 3.735 1.00 19.95 C ATOM 2117 O ALA A 271 22.615 112.471 4.270 1.00 22.42 O ATOM 2118 CB ALA A 271 24.330 112.325 1.612 1.00 20.17 C ATOM 0 H ALA A 271 25.727 110.428 2.256 1.00 18.65 H new ATOM 0 HA ALA A 271 24.999 112.616 3.544 1.00 20.05 H new ATOM 0 HB1 ALA A 271 23.716 113.076 1.611 1.00 20.17 H new ATOM 0 HB2 ALA A 271 25.164 112.590 1.194 1.00 20.17 H new ATOM 0 HB3 ALA A 271 23.940 111.588 1.115 1.00 20.17 H new ATOM 2119 N ASN A 272 22.884 110.259 3.765 1.00 18.27 N ATOM 2120 CA ASN A 272 21.652 109.785 4.440 1.00 18.80 C ATOM 2121 C ASN A 272 21.944 109.474 5.926 1.00 23.51 C ATOM 2122 O ASN A 272 20.965 109.196 6.710 1.00 25.94 O ATOM 2123 CB ASN A 272 20.969 108.640 3.703 1.00 19.60 C ATOM 2124 CG ASN A 272 20.417 108.987 2.331 1.00 20.19 C ATOM 2125 OD1 ASN A 272 20.018 110.226 2.234 1.00 24.12 O flip ATOM 2126 ND2 ASN A 272 20.371 108.090 1.411 1.00 18.58 N flip ATOM 0 H ASN A 272 23.325 109.625 3.386 1.00 18.27 H new ATOM 0 HA ASN A 272 21.002 110.505 4.415 1.00 18.80 H new ATOM 0 HB2 ASN A 272 21.604 107.914 3.605 1.00 19.60 H new ATOM 0 HB3 ASN A 272 20.242 108.309 4.253 1.00 19.60 H new ATOM 0 HD21 ASN A 272 20.660 107.296 1.570 1.00 18.58 H new ATOM 0 HD22 ASN A 272 20.052 108.284 0.637 1.00 18.58 H new ATOM 2127 N VAL A 273 23.211 109.348 6.338 1.00 19.01 N ATOM 2128 CA VAL A 273 23.575 109.112 7.771 1.00 18.92 C ATOM 2129 C VAL A 273 23.786 110.477 8.443 1.00 20.21 C ATOM 2130 O VAL A 273 23.189 110.710 9.554 1.00 21.65 O ATOM 2131 CB VAL A 273 24.845 108.242 7.833 1.00 18.10 C ATOM 2132 CG1 VAL A 273 25.382 108.162 9.252 1.00 22.18 C ATOM 2133 CG2 VAL A 273 24.613 106.857 7.249 1.00 21.22 C ATOM 0 H VAL A 273 23.888 109.394 5.809 1.00 19.01 H new ATOM 0 HA VAL A 273 22.870 108.640 8.241 1.00 18.92 H new ATOM 0 HB VAL A 273 25.518 108.672 7.283 1.00 18.10 H new ATOM 0 HG11 VAL A 273 26.180 107.610 9.266 1.00 22.18 H new ATOM 0 HG12 VAL A 273 25.600 109.053 9.566 1.00 22.18 H new ATOM 0 HG13 VAL A 273 24.709 107.771 9.831 1.00 22.18 H new ATOM 0 HG21 VAL A 273 25.432 106.340 7.305 1.00 21.22 H new ATOM 0 HG22 VAL A 273 23.913 106.408 7.748 1.00 21.22 H new ATOM 0 HG23 VAL A 273 24.346 106.938 6.320 1.00 21.22 H new ATOM 2134 N PHE A 274 24.536 111.409 7.843 1.00 18.43 N ATOM 2135 CA PHE A 274 24.895 112.753 8.363 1.00 19.55 C ATOM 2136 C PHE A 274 23.941 113.779 7.725 1.00 19.52 C ATOM 2137 O PHE A 274 24.387 114.666 6.969 1.00 19.81 O ATOM 2138 CB PHE A 274 26.388 113.007 8.115 1.00 18.41 C ATOM 2139 CG PHE A 274 27.273 111.950 8.772 1.00 19.34 C ATOM 2140 CD1 PHE A 274 27.462 111.981 10.152 1.00 21.44 C ATOM 2141 CD2 PHE A 274 27.868 110.944 8.069 1.00 21.53 C ATOM 2142 CE1 PHE A 274 28.181 110.963 10.781 1.00 22.24 C ATOM 2143 CE2 PHE A 274 28.657 109.982 8.674 1.00 22.99 C ATOM 2144 CZ PHE A 274 28.774 109.979 10.042 1.00 21.94 C ATOM 0 H PHE A 274 24.876 111.269 7.066 1.00 18.43 H new ATOM 0 HA PHE A 274 24.779 112.829 9.323 1.00 19.55 H new ATOM 0 HB2 PHE A 274 26.557 113.020 7.160 1.00 18.41 H new ATOM 0 HB3 PHE A 274 26.626 113.883 8.457 1.00 18.41 H new ATOM 0 HD1 PHE A 274 27.109 112.680 10.654 1.00 21.44 H new ATOM 0 HD2 PHE A 274 27.739 110.903 7.149 1.00 21.53 H new ATOM 0 HE1 PHE A 274 28.257 110.955 11.708 1.00 22.24 H new ATOM 0 HE2 PHE A 274 29.102 109.346 8.161 1.00 22.99 H new ATOM 0 HZ PHE A 274 29.257 109.307 10.466 1.00 21.94 H new ATOM 2145 N ILE A 275 22.652 113.623 8.009 1.00 20.66 N ATOM 2146 CA ILE A 275 21.546 114.411 7.398 1.00 25.66 C ATOM 2147 C ILE A 275 21.775 115.900 7.671 1.00 23.29 C ATOM 2148 O ILE A 275 22.021 116.294 8.848 1.00 26.41 O ATOM 2149 CB ILE A 275 20.203 113.937 7.964 1.00 30.48 C ATOM 2150 CG1 ILE A 275 19.907 112.481 7.608 1.00 35.62 C ATOM 2151 CG2 ILE A 275 19.085 114.895 7.561 1.00 33.42 C ATOM 2152 CD1 ILE A 275 18.964 111.825 8.598 1.00 40.23 C ATOM 0 H ILE A 275 22.374 113.041 8.578 1.00 20.66 H new ATOM 0 HA ILE A 275 21.530 114.277 6.437 1.00 25.66 H new ATOM 0 HB ILE A 275 20.259 113.955 8.932 1.00 30.48 H new ATOM 0 HG12 ILE A 275 19.519 112.440 6.720 1.00 35.62 H new ATOM 0 HG13 ILE A 275 20.739 111.982 7.578 1.00 35.62 H new ATOM 0 HG21 ILE A 275 18.243 114.582 7.926 1.00 33.42 H new ATOM 0 HG22 ILE A 275 19.277 115.781 7.907 1.00 33.42 H new ATOM 0 HG23 ILE A 275 19.023 114.932 6.594 1.00 33.42 H new ATOM 0 HD11 ILE A 275 18.805 110.905 8.333 1.00 40.23 H new ATOM 0 HD12 ILE A 275 19.360 111.842 9.483 1.00 40.23 H new ATOM 0 HD13 ILE A 275 18.122 112.307 8.612 1.00 40.23 H new ATOM 2153 N GLY A 276 21.848 116.675 6.583 1.00 28.05 N ATOM 2154 CA GLY A 276 21.982 118.142 6.557 1.00 29.07 C ATOM 2155 C GLY A 276 23.401 118.660 6.689 1.00 30.43 C ATOM 2156 O GLY A 276 23.573 119.874 6.737 1.00 32.42 O ATOM 0 H GLY A 276 21.819 116.340 5.792 1.00 28.05 H new ATOM 0 HA2 GLY A 276 21.608 118.472 5.725 1.00 29.07 H new ATOM 0 HA3 GLY A 276 21.448 118.515 7.276 1.00 29.07 H new ATOM 2157 N ALA A 277 24.407 117.799 6.858 1.00 24.97 N ATOM 2158 CA ALA A 277 25.800 118.275 6.962 1.00 24.17 C ATOM 2159 C ALA A 277 26.262 118.890 5.643 1.00 22.14 C ATOM 2160 O ALA A 277 25.841 118.478 4.571 1.00 26.25 O ATOM 2161 CB ALA A 277 26.703 117.120 7.394 1.00 24.26 C ATOM 0 H ALA A 277 24.312 116.946 6.915 1.00 24.97 H new ATOM 0 HA ALA A 277 25.852 118.972 7.635 1.00 24.17 H new ATOM 0 HB1 ALA A 277 27.619 117.433 7.462 1.00 24.26 H new ATOM 0 HB2 ALA A 277 26.411 116.786 8.256 1.00 24.26 H new ATOM 0 HB3 ALA A 277 26.653 116.407 6.738 1.00 24.26 H new ATOM 2162 N ASN A 278 27.217 119.802 5.761 1.00 22.46 N ATOM 2163 CA ASN A 278 27.968 120.360 4.621 1.00 24.29 C ATOM 2164 C ASN A 278 28.393 119.207 3.722 1.00 24.74 C ATOM 2165 O ASN A 278 29.081 118.257 4.168 1.00 20.57 O ATOM 2166 CB ASN A 278 29.140 121.214 5.132 1.00 23.20 C ATOM 2167 CG ASN A 278 29.921 121.947 4.053 1.00 21.67 C ATOM 2168 OD1 ASN A 278 30.003 121.537 2.880 1.00 25.15 O ATOM 2169 ND2 ASN A 278 30.637 122.968 4.528 1.00 23.74 N ATOM 0 H ASN A 278 27.459 120.127 6.520 1.00 22.46 H new ATOM 0 HA ASN A 278 27.419 120.958 4.090 1.00 24.29 H new ATOM 0 HB2 ASN A 278 28.796 121.866 5.763 1.00 23.20 H new ATOM 0 HB3 ASN A 278 29.751 120.641 5.621 1.00 23.20 H new ATOM 0 HD21 ASN A 278 31.191 123.380 4.015 1.00 23.74 H new ATOM 0 HD22 ASN A 278 30.544 123.214 5.347 1.00 23.74 H new ATOM 2170 N PRO A 279 28.069 119.192 2.415 1.00 22.79 N ATOM 2171 CA PRO A 279 28.506 118.120 1.534 1.00 23.56 C ATOM 2172 C PRO A 279 30.040 117.920 1.595 1.00 23.07 C ATOM 2173 O PRO A 279 30.453 116.818 1.291 1.00 21.45 O ATOM 2174 CB PRO A 279 28.071 118.534 0.118 1.00 25.56 C ATOM 2175 CG PRO A 279 26.857 119.376 0.411 1.00 25.27 C ATOM 2176 CD PRO A 279 27.115 120.118 1.712 1.00 24.18 C ATOM 0 HA PRO A 279 28.113 117.274 1.800 1.00 23.56 H new ATOM 0 HB2 PRO A 279 28.761 119.036 -0.344 1.00 25.56 H new ATOM 0 HB3 PRO A 279 27.858 117.768 -0.437 1.00 25.56 H new ATOM 0 HG2 PRO A 279 26.694 120.002 -0.312 1.00 25.27 H new ATOM 0 HG3 PRO A 279 26.066 118.819 0.487 1.00 25.27 H new ATOM 0 HD2 PRO A 279 27.504 120.993 1.560 1.00 24.18 H new ATOM 0 HD3 PRO A 279 26.300 120.254 2.220 1.00 24.18 H new ATOM 2177 N LEU A 280 30.806 118.995 1.807 1.00 23.46 N ATOM 2178 CA LEU A 280 32.302 118.865 1.817 1.00 22.51 C ATOM 2179 C LEU A 280 32.698 118.120 3.098 1.00 21.59 C ATOM 2180 O LEU A 280 33.695 117.345 3.017 1.00 19.89 O ATOM 2181 CB LEU A 280 32.962 120.242 1.753 1.00 23.83 C ATOM 2182 CG LEU A 280 32.820 120.980 0.416 1.00 24.99 C ATOM 2183 CD1 LEU A 280 33.313 122.388 0.563 1.00 26.15 C ATOM 2184 CD2 LEU A 280 33.552 120.246 -0.667 1.00 27.30 C ATOM 0 H LEU A 280 30.508 119.790 1.944 1.00 23.46 H new ATOM 0 HA LEU A 280 32.604 118.369 1.040 1.00 22.51 H new ATOM 0 HB2 LEU A 280 32.584 120.797 2.453 1.00 23.83 H new ATOM 0 HB3 LEU A 280 33.906 120.140 1.950 1.00 23.83 H new ATOM 0 HG LEU A 280 31.885 121.012 0.162 1.00 24.99 H new ATOM 0 HD11 LEU A 280 33.222 122.853 -0.284 1.00 26.15 H new ATOM 0 HD12 LEU A 280 32.790 122.845 1.240 1.00 26.15 H new ATOM 0 HD13 LEU A 280 34.246 122.378 0.828 1.00 26.15 H new ATOM 0 HD21 LEU A 280 33.454 120.724 -1.505 1.00 27.30 H new ATOM 0 HD22 LEU A 280 34.493 120.186 -0.438 1.00 27.30 H new ATOM 0 HD23 LEU A 280 33.184 119.353 -0.759 1.00 27.30 H new ATOM 2185 N ALA A 281 31.937 118.280 4.157 1.00 21.22 N ATOM 2186 CA ALA A 281 32.197 117.488 5.423 1.00 21.48 C ATOM 2187 C ALA A 281 31.898 116.007 5.177 1.00 22.56 C ATOM 2188 O ALA A 281 32.701 115.095 5.606 1.00 20.92 O ATOM 2189 CB ALA A 281 31.395 118.040 6.556 1.00 20.88 C ATOM 0 H ALA A 281 31.270 118.821 4.200 1.00 21.22 H new ATOM 0 HA ALA A 281 33.132 117.566 5.669 1.00 21.48 H new ATOM 0 HB1 ALA A 281 31.571 117.524 7.359 1.00 20.88 H new ATOM 0 HB2 ALA A 281 31.642 118.966 6.706 1.00 20.88 H new ATOM 0 HB3 ALA A 281 30.451 117.989 6.340 1.00 20.88 H new ATOM 2190 N VAL A 282 30.787 115.689 4.509 1.00 20.85 N ATOM 2191 CA VAL A 282 30.412 114.307 4.157 1.00 20.36 C ATOM 2192 C VAL A 282 31.542 113.681 3.321 1.00 20.73 C ATOM 2193 O VAL A 282 31.950 112.533 3.583 1.00 19.97 O ATOM 2194 CB VAL A 282 29.036 114.278 3.443 1.00 21.39 C ATOM 2195 CG1 VAL A 282 28.727 112.859 2.958 1.00 24.31 C ATOM 2196 CG2 VAL A 282 27.961 114.855 4.344 1.00 23.52 C ATOM 0 H VAL A 282 30.219 116.276 4.242 1.00 20.85 H new ATOM 0 HA VAL A 282 30.306 113.771 4.958 1.00 20.36 H new ATOM 0 HB VAL A 282 29.061 114.842 2.654 1.00 21.39 H new ATOM 0 HG11 VAL A 282 27.865 112.849 2.513 1.00 24.31 H new ATOM 0 HG12 VAL A 282 29.415 112.572 2.337 1.00 24.31 H new ATOM 0 HG13 VAL A 282 28.705 112.255 3.717 1.00 24.31 H new ATOM 0 HG21 VAL A 282 27.107 114.831 3.885 1.00 23.52 H new ATOM 0 HG22 VAL A 282 27.905 114.331 5.158 1.00 23.52 H new ATOM 0 HG23 VAL A 282 28.183 115.773 4.565 1.00 23.52 H new ATOM 2197 N ASP A 283 32.067 114.406 2.301 1.00 19.14 N ATOM 2198 CA ASP A 283 33.132 113.908 1.421 1.00 20.77 C ATOM 2199 C ASP A 283 34.392 113.568 2.253 1.00 17.46 C ATOM 2200 O ASP A 283 34.997 112.506 1.994 1.00 19.72 O ATOM 2201 CB ASP A 283 33.460 114.922 0.311 1.00 21.66 C ATOM 2202 CG ASP A 283 34.444 114.397 -0.706 1.00 25.58 C ATOM 2203 OD1 ASP A 283 34.100 113.479 -1.508 1.00 27.01 O ATOM 2204 OD2 ASP A 283 35.635 114.812 -0.651 1.00 23.99 O ATOM 0 H ASP A 283 31.806 115.203 2.109 1.00 19.14 H new ATOM 0 HA ASP A 283 32.818 113.098 0.989 1.00 20.77 H new ATOM 0 HB2 ASP A 283 32.640 115.173 -0.142 1.00 21.66 H new ATOM 0 HB3 ASP A 283 33.820 115.728 0.714 1.00 21.66 H new ATOM 2205 N LEU A 284 34.774 114.458 3.147 1.00 18.86 N ATOM 2206 CA LEU A 284 36.002 114.231 3.963 1.00 19.45 C ATOM 2207 C LEU A 284 35.804 113.035 4.897 1.00 19.73 C ATOM 2208 O LEU A 284 36.724 112.177 4.980 1.00 18.48 O ATOM 2209 CB LEU A 284 36.377 115.497 4.717 1.00 19.32 C ATOM 2210 CG LEU A 284 37.648 115.358 5.565 1.00 19.09 C ATOM 2211 CD1 LEU A 284 38.884 115.089 4.691 1.00 21.49 C ATOM 2212 CD2 LEU A 284 37.818 116.615 6.382 1.00 21.52 C ATOM 0 H LEU A 284 34.360 115.194 3.311 1.00 18.86 H new ATOM 0 HA LEU A 284 36.744 114.017 3.375 1.00 19.45 H new ATOM 0 HB2 LEU A 284 36.500 116.218 4.080 1.00 19.32 H new ATOM 0 HB3 LEU A 284 35.639 115.751 5.294 1.00 19.32 H new ATOM 0 HG LEU A 284 37.558 114.594 6.156 1.00 19.09 H new ATOM 0 HD11 LEU A 284 39.668 115.007 5.256 1.00 21.49 H new ATOM 0 HD12 LEU A 284 38.756 114.266 4.194 1.00 21.49 H new ATOM 0 HD13 LEU A 284 39.009 115.825 4.071 1.00 21.49 H new ATOM 0 HD21 LEU A 284 38.619 116.543 6.925 1.00 21.52 H new ATOM 0 HD22 LEU A 284 37.898 117.378 5.789 1.00 21.52 H new ATOM 0 HD23 LEU A 284 37.047 116.733 6.958 1.00 21.52 H new ATOM 2213 N LEU A 285 34.649 112.896 5.527 1.00 19.40 N ATOM 2214 CA LEU A 285 34.375 111.673 6.349 1.00 20.11 C ATOM 2215 C LEU A 285 34.482 110.392 5.527 1.00 19.01 C ATOM 2216 O LEU A 285 35.047 109.381 6.016 1.00 19.45 O ATOM 2217 CB LEU A 285 32.982 111.763 6.989 1.00 19.63 C ATOM 2218 CG LEU A 285 32.810 112.701 8.163 1.00 22.54 C ATOM 2219 CD1 LEU A 285 31.324 112.824 8.514 1.00 24.59 C ATOM 2220 CD2 LEU A 285 33.606 112.187 9.373 1.00 23.42 C ATOM 0 H LEU A 285 34.010 113.471 5.507 1.00 19.40 H new ATOM 0 HA LEU A 285 35.052 111.637 7.043 1.00 20.11 H new ATOM 0 HB2 LEU A 285 32.353 112.028 6.300 1.00 19.63 H new ATOM 0 HB3 LEU A 285 32.728 110.873 7.278 1.00 19.63 H new ATOM 0 HG LEU A 285 33.149 113.577 7.922 1.00 22.54 H new ATOM 0 HD11 LEU A 285 31.218 113.426 9.267 1.00 24.59 H new ATOM 0 HD12 LEU A 285 30.839 113.173 7.750 1.00 24.59 H new ATOM 0 HD13 LEU A 285 30.973 111.950 8.747 1.00 24.59 H new ATOM 0 HD21 LEU A 285 33.489 112.795 10.120 1.00 23.42 H new ATOM 0 HD22 LEU A 285 33.285 111.306 9.621 1.00 23.42 H new ATOM 0 HD23 LEU A 285 34.547 112.135 9.143 1.00 23.42 H new ATOM 2221 N GLU A 286 33.998 110.350 4.276 1.00 18.58 N ATOM 2222 CA GLU A 286 34.098 109.150 3.427 1.00 19.41 C ATOM 2223 C GLU A 286 35.594 108.835 3.149 1.00 20.30 C ATOM 2224 O GLU A 286 35.858 107.642 2.958 1.00 22.38 O ATOM 2225 CB GLU A 286 33.339 109.348 2.097 1.00 21.21 C ATOM 2226 CG GLU A 286 31.833 109.320 2.272 1.00 21.76 C ATOM 2227 CD GLU A 286 31.020 109.367 1.003 1.00 29.24 C ATOM 2228 OE1 GLU A 286 31.473 110.120 0.083 1.00 25.89 O ATOM 2229 OE2 GLU A 286 29.904 108.679 0.993 1.00 30.58 O ATOM 0 H GLU A 286 33.604 111.014 3.897 1.00 18.58 H new ATOM 0 HA GLU A 286 33.691 108.404 3.895 1.00 19.41 H new ATOM 0 HB2 GLU A 286 33.599 110.196 1.704 1.00 21.21 H new ATOM 0 HB3 GLU A 286 33.601 108.653 1.473 1.00 21.21 H new ATOM 0 HG2 GLU A 286 31.596 108.514 2.757 1.00 21.76 H new ATOM 0 HG3 GLU A 286 31.576 110.072 2.828 1.00 21.76 H new ATOM 2230 N LYS A 287 36.490 109.846 3.150 1.00 19.39 N ATOM 2231 CA LYS A 287 37.930 109.661 2.875 1.00 17.91 C ATOM 2232 C LYS A 287 38.721 109.246 4.138 1.00 17.36 C ATOM 2233 O LYS A 287 39.809 108.639 4.015 1.00 17.98 O ATOM 2234 CB LYS A 287 38.500 110.878 2.146 1.00 18.58 C ATOM 2235 CG LYS A 287 37.931 110.997 0.708 1.00 23.19 C ATOM 2236 CD LYS A 287 38.260 112.269 -0.008 1.00 28.89 C ATOM 2237 CE LYS A 287 37.729 112.211 -1.440 1.00 29.83 C ATOM 2238 NZ LYS A 287 37.718 113.542 -2.077 1.00 38.57 N ATOM 0 H LYS A 287 36.274 110.663 3.312 1.00 19.39 H new ATOM 0 HA LYS A 287 38.034 108.910 2.270 1.00 17.91 H new ATOM 0 HB2 LYS A 287 38.291 111.683 2.645 1.00 18.58 H new ATOM 0 HB3 LYS A 287 39.467 110.810 2.108 1.00 18.58 H new ATOM 0 HG2 LYS A 287 38.263 110.252 0.182 1.00 23.19 H new ATOM 0 HG3 LYS A 287 36.966 110.907 0.750 1.00 23.19 H new ATOM 0 HD2 LYS A 287 37.869 113.023 0.460 1.00 28.89 H new ATOM 0 HD3 LYS A 287 39.220 112.406 -0.016 1.00 28.89 H new ATOM 0 HE2 LYS A 287 38.278 111.607 -1.964 1.00 29.83 H new ATOM 0 HE3 LYS A 287 36.830 111.847 -1.437 1.00 29.83 H new ATOM 0 HZ1 LYS A 287 37.544 113.454 -2.945 1.00 38.57 H new ATOM 0 HZ2 LYS A 287 37.090 114.047 -1.699 1.00 38.57 H new ATOM 0 HZ3 LYS A 287 38.513 113.928 -1.972 1.00 38.57 H new ATOM 2239 N AMET A 288 38.213 109.550 5.334 0.25 17.02 N ATOM 2240 N BMET A 288 38.193 109.562 5.330 0.25 18.31 N ATOM 2241 CA AMET A 288 38.892 109.140 6.605 0.25 16.31 C ATOM 2242 CA BMET A 288 38.851 109.239 6.640 0.25 18.46 C ATOM 2243 C AMET A 288 38.416 107.734 7.014 0.25 16.58 C ATOM 2244 C BMET A 288 38.387 107.858 7.152 0.25 18.17 C ATOM 2245 O AMET A 288 39.258 106.871 7.373 0.25 15.59 O ATOM 2246 O BMET A 288 39.233 107.143 7.745 0.25 17.98 O ATOM 2247 CB AMET A 288 38.592 110.123 7.733 0.25 15.73 C ATOM 2248 CB BMET A 288 38.564 110.306 7.702 0.25 19.53 C ATOM 2249 CG AMET A 288 39.110 111.547 7.492 0.25 15.81 C ATOM 2250 CG BMET A 288 39.130 111.708 7.377 0.25 20.25 C ATOM 2251 SD AMET A 288 38.430 112.686 8.716 0.25 16.82 S ATOM 2252 SD BMET A 288 39.335 112.802 8.818 0.25 24.36 S ATOM 2253 CE AMET A 288 39.549 114.074 8.529 0.25 16.25 C ATOM 2254 CE BMET A 288 37.666 113.403 9.050 0.25 22.96 C ATOM 0 H AMET A 288 37.482 109.989 5.447 0.25 18.31 H new ATOM 0 H BMET A 288 37.441 109.971 5.415 0.25 18.31 H new ATOM 0 HA AMET A 288 39.849 109.135 6.449 0.25 18.46 H new ATOM 0 HA BMET A 288 39.808 109.221 6.483 0.25 18.46 H new ATOM 0 HB2AMET A 288 37.632 110.159 7.868 0.25 19.53 H new ATOM 0 HB2BMET A 288 37.604 110.377 7.820 0.25 19.53 H new ATOM 0 HB3AMET A 288 38.982 109.784 8.554 0.25 19.53 H new ATOM 0 HB3BMET A 288 38.933 110.010 8.549 0.25 19.53 H new ATOM 0 HG2AMET A 288 40.079 111.556 7.538 0.25 20.25 H new ATOM 0 HG2BMET A 288 39.991 111.603 6.942 0.25 20.25 H new ATOM 0 HG3AMET A 288 38.865 111.839 6.600 0.25 20.25 H new ATOM 0 HG3BMET A 288 38.541 112.141 6.739 0.25 20.25 H new ATOM 0 HE1AMET A 288 39.276 114.792 9.121 0.25 22.96 H new ATOM 0 HE1BMET A 288 37.538 113.652 9.979 0.25 22.96 H new ATOM 0 HE2AMET A 288 40.451 113.796 8.754 0.25 22.96 H new ATOM 0 HE2BMET A 288 37.519 114.178 8.485 0.25 22.96 H new ATOM 0 HE3AMET A 288 39.527 114.386 7.611 0.25 22.96 H new ATOM 0 HE3BMET A 288 37.035 112.706 8.812 0.25 22.96 H new ATOM 2255 N LEU A 289 37.105 107.488 6.962 1.00 16.41 N ATOM 2256 CA LEU A 289 36.490 106.236 7.518 1.00 15.96 C ATOM 2257 C LEU A 289 36.459 105.128 6.474 1.00 17.37 C ATOM 2258 O LEU A 289 35.399 104.680 6.005 1.00 20.29 O ATOM 2259 CB LEU A 289 35.106 106.583 8.076 1.00 15.63 C ATOM 2260 CG LEU A 289 35.108 107.532 9.249 1.00 17.03 C ATOM 2261 CD1 LEU A 289 33.666 107.967 9.557 1.00 19.42 C ATOM 2262 CD2 LEU A 289 35.720 106.861 10.479 1.00 19.90 C ATOM 0 H ALEU A 289 36.536 108.028 6.609 0.25 16.41 H new ATOM 0 H BLEU A 289 36.552 107.958 6.501 0.25 16.41 H new ATOM 0 HA LEU A 289 37.030 105.887 8.244 1.00 15.96 H new ATOM 0 HB2 LEU A 289 34.574 106.972 7.364 1.00 15.63 H new ATOM 0 HB3 LEU A 289 34.665 105.761 8.343 1.00 15.63 H new ATOM 0 HG LEU A 289 35.642 108.310 9.024 1.00 17.03 H new ATOM 0 HD11 LEU A 289 33.666 108.577 10.311 1.00 19.42 H new ATOM 0 HD12 LEU A 289 33.289 108.412 8.782 1.00 19.42 H new ATOM 0 HD13 LEU A 289 33.132 107.187 9.773 1.00 19.42 H new ATOM 0 HD21 LEU A 289 35.714 107.483 11.224 1.00 19.90 H new ATOM 0 HD22 LEU A 289 35.201 106.075 10.711 1.00 19.90 H new ATOM 0 HD23 LEU A 289 36.633 106.599 10.284 1.00 19.90 H new ATOM 2263 N VAL A 290 37.675 104.767 6.050 1.00 18.74 N ATOM 2264 CA VAL A 290 37.933 103.673 5.088 1.00 19.15 C ATOM 2265 C VAL A 290 38.493 102.492 5.852 1.00 19.23 C ATOM 2266 O VAL A 290 39.450 102.673 6.618 1.00 18.68 O ATOM 2267 CB VAL A 290 38.901 104.172 3.962 1.00 19.92 C ATOM 2268 CG1 VAL A 290 39.124 103.092 2.931 1.00 23.07 C ATOM 2269 CG2 VAL A 290 38.361 105.405 3.215 1.00 22.01 C ATOM 0 H VAL A 290 38.393 105.158 6.317 1.00 18.74 H new ATOM 0 HA VAL A 290 37.114 103.393 4.649 1.00 19.15 H new ATOM 0 HB VAL A 290 39.727 104.406 4.414 1.00 19.92 H new ATOM 0 HG11 VAL A 290 39.725 103.420 2.244 1.00 23.07 H new ATOM 0 HG12 VAL A 290 39.515 102.313 3.357 1.00 23.07 H new ATOM 0 HG13 VAL A 290 38.276 102.848 2.529 1.00 23.07 H new ATOM 0 HG21 VAL A 290 38.995 105.673 2.531 1.00 22.01 H new ATOM 0 HG22 VAL A 290 37.512 105.186 2.800 1.00 22.01 H new ATOM 0 HG23 VAL A 290 38.235 106.134 3.842 1.00 22.01 H new ATOM 2270 N LEU A 291 37.922 101.289 5.683 1.00 19.45 N ATOM 2271 CA LEU A 291 38.324 100.133 6.468 1.00 20.80 C ATOM 2272 C LEU A 291 39.814 99.815 6.206 1.00 18.71 C ATOM 2273 O LEU A 291 40.567 99.574 7.136 1.00 21.41 O ATOM 2274 CB LEU A 291 37.351 98.989 6.128 1.00 22.84 C ATOM 2275 CG LEU A 291 37.363 97.879 7.152 1.00 24.82 C ATOM 2276 CD1 LEU A 291 36.840 98.364 8.509 1.00 24.70 C ATOM 2277 CD2 LEU A 291 36.517 96.697 6.665 1.00 26.09 C ATOM 0 H LEU A 291 37.298 101.131 5.113 1.00 19.45 H new ATOM 0 HA LEU A 291 38.267 100.291 7.423 1.00 20.80 H new ATOM 0 HB2 LEU A 291 36.452 99.346 6.057 1.00 22.84 H new ATOM 0 HB3 LEU A 291 37.581 98.623 5.259 1.00 22.84 H new ATOM 0 HG LEU A 291 38.283 97.593 7.265 1.00 24.82 H new ATOM 0 HD11 LEU A 291 36.860 97.631 9.144 1.00 24.70 H new ATOM 0 HD12 LEU A 291 37.400 99.087 8.832 1.00 24.70 H new ATOM 0 HD13 LEU A 291 35.929 98.681 8.410 1.00 24.70 H new ATOM 0 HD21 LEU A 291 36.533 95.992 7.331 1.00 26.09 H new ATOM 0 HD22 LEU A 291 35.603 96.989 6.525 1.00 26.09 H new ATOM 0 HD23 LEU A 291 36.880 96.361 5.830 1.00 26.09 H new ATOM 2278 N ASP A 292 40.230 99.769 4.932 1.00 19.79 N ATOM 2279 CA ASP A 292 41.641 99.458 4.575 1.00 21.56 C ATOM 2280 C ASP A 292 42.500 100.688 4.837 1.00 19.93 C ATOM 2281 O ASP A 292 42.357 101.719 4.146 1.00 20.15 O ATOM 2282 CB ASP A 292 41.736 99.040 3.102 1.00 21.70 C ATOM 2283 CG ASP A 292 43.123 98.576 2.658 1.00 22.65 C ATOM 2284 OD1 ASP A 292 44.109 98.831 3.359 1.00 22.58 O ATOM 2285 OD2 ASP A 292 43.147 97.900 1.576 1.00 26.55 O ATOM 0 H ASP A 292 39.718 99.913 4.256 1.00 19.79 H new ATOM 0 HA ASP A 292 41.960 98.721 5.118 1.00 21.56 H new ATOM 0 HB2 ASP A 292 41.102 98.324 2.940 1.00 21.70 H new ATOM 0 HB3 ASP A 292 41.466 99.789 2.548 1.00 21.70 H new ATOM 2286 N SER A 293 43.354 100.608 5.857 1.00 20.64 N ATOM 2287 CA SER A 293 44.181 101.736 6.336 1.00 20.64 C ATOM 2288 C SER A 293 45.129 102.254 5.210 1.00 19.60 C ATOM 2289 O SER A 293 45.398 103.464 5.255 1.00 20.95 O ATOM 2290 CB SER A 293 44.917 101.327 7.576 1.00 25.83 C ATOM 2291 OG SER A 293 45.946 100.413 7.278 1.00 23.58 O ATOM 0 H SER A 293 43.477 99.884 6.304 1.00 20.64 H new ATOM 0 HA SER A 293 43.608 102.484 6.568 1.00 20.64 H new ATOM 0 HB2 SER A 293 45.292 102.111 8.006 1.00 25.83 H new ATOM 0 HB3 SER A 293 44.297 100.927 8.206 1.00 25.83 H new ATOM 0 HG SER A 293 45.643 99.630 7.309 1.00 23.58 H new ATOM 2292 N ASP A 294 45.529 101.426 4.237 1.00 19.30 N ATOM 2293 CA ASP A 294 46.391 101.883 3.125 1.00 20.80 C ATOM 2294 C ASP A 294 45.679 102.953 2.295 1.00 20.58 C ATOM 2295 O ASP A 294 46.397 103.713 1.604 1.00 20.60 O ATOM 2296 CB ASP A 294 46.779 100.706 2.212 1.00 21.00 C ATOM 2297 CG ASP A 294 47.710 99.639 2.765 1.00 24.66 C ATOM 2298 OD1 ASP A 294 48.420 99.967 3.693 1.00 26.19 O ATOM 2299 OD2 ASP A 294 47.853 98.564 2.117 1.00 28.72 O ATOM 0 H ASP A 294 45.314 100.594 4.199 1.00 19.30 H new ATOM 0 HA ASP A 294 47.196 102.261 3.513 1.00 20.80 H new ATOM 0 HB2 ASP A 294 45.961 100.267 1.931 1.00 21.00 H new ATOM 0 HB3 ASP A 294 47.191 101.074 1.415 1.00 21.00 H new ATOM 2300 N LYS A 295 44.353 102.984 2.309 1.00 18.38 N ATOM 2301 CA LYS A 295 43.562 103.813 1.386 1.00 18.12 C ATOM 2302 C LYS A 295 42.995 105.056 2.077 1.00 18.85 C ATOM 2303 O LYS A 295 42.342 105.864 1.412 1.00 19.05 O ATOM 2304 CB LYS A 295 42.481 102.966 0.723 1.00 20.36 C ATOM 2305 CG LYS A 295 43.090 101.902 -0.195 1.00 27.54 C ATOM 2306 CD LYS A 295 42.138 101.058 -0.983 1.00 33.40 C ATOM 2307 CE LYS A 295 42.919 100.058 -1.827 1.00 36.50 C ATOM 2308 NZ LYS A 295 42.029 99.120 -2.547 1.00 41.19 N ATOM 0 H LYS A 295 43.876 102.523 2.856 1.00 18.38 H new ATOM 0 HA LYS A 295 44.149 104.145 0.689 1.00 18.12 H new ATOM 0 HB2 LYS A 295 41.941 102.537 1.405 1.00 20.36 H new ATOM 0 HB3 LYS A 295 41.889 103.538 0.210 1.00 20.36 H new ATOM 0 HG2 LYS A 295 43.685 102.347 -0.818 1.00 27.54 H new ATOM 0 HG3 LYS A 295 43.637 101.313 0.348 1.00 27.54 H new ATOM 0 HD2 LYS A 295 41.536 100.589 -0.385 1.00 33.40 H new ATOM 0 HD3 LYS A 295 41.591 101.619 -1.554 1.00 33.40 H new ATOM 0 HE2 LYS A 295 43.468 100.537 -2.468 1.00 36.50 H new ATOM 0 HE3 LYS A 295 43.522 99.556 -1.256 1.00 36.50 H new ATOM 0 HZ1 LYS A 295 42.493 98.403 -2.796 1.00 41.19 H new ATOM 0 HZ2 LYS A 295 41.364 98.871 -2.011 1.00 41.19 H new ATOM 0 HZ3 LYS A 295 41.694 99.522 -3.267 1.00 41.19 H new ATOM 2309 N ARG A 296 43.190 105.215 3.383 1.00 16.88 N ATOM 2310 CA ARG A 296 42.734 106.418 4.109 1.00 17.23 C ATOM 2311 C ARG A 296 43.505 107.671 3.652 1.00 17.99 C ATOM 2312 O ARG A 296 44.691 107.578 3.300 1.00 18.51 O ATOM 2313 CB ARG A 296 42.897 106.240 5.628 1.00 18.28 C ATOM 2314 CG ARG A 296 42.025 105.188 6.258 1.00 18.39 C ATOM 2315 CD ARG A 296 42.327 105.011 7.751 1.00 19.34 C ATOM 2316 NE ARG A 296 41.640 103.797 8.128 1.00 18.74 N ATOM 2317 CZ ARG A 296 42.024 102.933 9.056 1.00 18.44 C ATOM 2318 NH1 ARG A 296 42.988 103.263 9.898 1.00 19.60 N ATOM 2319 NH2 ARG A 296 41.399 101.778 9.170 1.00 20.47 N ATOM 0 H ARG A 296 43.588 104.636 3.879 1.00 16.88 H new ATOM 0 HA ARG A 296 41.794 106.538 3.904 1.00 17.23 H new ATOM 0 HB2 ARG A 296 43.824 106.023 5.814 1.00 18.28 H new ATOM 0 HB3 ARG A 296 42.713 107.090 6.058 1.00 18.28 H new ATOM 0 HG2 ARG A 296 41.093 105.431 6.144 1.00 18.39 H new ATOM 0 HG3 ARG A 296 42.156 104.343 5.800 1.00 18.39 H new ATOM 0 HD2 ARG A 296 43.281 104.939 7.911 1.00 19.34 H new ATOM 0 HD3 ARG A 296 42.010 105.769 8.266 1.00 19.34 H new ATOM 0 HE ARG A 296 40.911 103.618 7.709 1.00 18.74 H new ATOM 0 HH11 ARG A 296 43.362 104.035 9.842 1.00 19.60 H new ATOM 0 HH12 ARG A 296 43.241 102.706 10.502 1.00 19.60 H new ATOM 0 HH21 ARG A 296 40.746 101.589 8.644 1.00 20.47 H new ATOM 0 HH22 ARG A 296 41.644 101.214 9.771 1.00 20.47 H new ATOM 2320 N ILE A 297 42.857 108.813 3.703 1.00 18.25 N ATOM 2321 CA ILE A 297 43.508 110.139 3.505 1.00 17.55 C ATOM 2322 C ILE A 297 44.544 110.362 4.605 1.00 18.18 C ATOM 2323 O ILE A 297 44.341 109.904 5.745 1.00 17.98 O ATOM 2324 CB ILE A 297 42.449 111.256 3.408 1.00 17.76 C ATOM 2325 CG1 ILE A 297 43.033 112.536 2.813 1.00 18.83 C ATOM 2326 CG2 ILE A 297 41.782 111.558 4.747 1.00 19.15 C ATOM 2327 CD1 ILE A 297 41.972 113.570 2.399 1.00 17.73 C ATOM 0 H ILE A 297 42.012 108.865 3.855 1.00 18.25 H new ATOM 0 HA ILE A 297 43.984 110.160 2.660 1.00 17.55 H new ATOM 0 HB ILE A 297 41.764 110.918 2.811 1.00 17.76 H new ATOM 0 HG12 ILE A 297 43.631 112.940 3.461 1.00 18.83 H new ATOM 0 HG13 ILE A 297 43.569 112.307 2.038 1.00 18.83 H new ATOM 0 HG21 ILE A 297 41.128 112.264 4.631 1.00 19.15 H new ATOM 0 HG22 ILE A 297 41.340 110.760 5.076 1.00 19.15 H new ATOM 0 HG23 ILE A 297 42.454 111.842 5.387 1.00 19.15 H new ATOM 0 HD11 ILE A 297 42.410 114.354 2.031 1.00 17.73 H new ATOM 0 HD12 ILE A 297 41.387 113.183 1.729 1.00 17.73 H new ATOM 0 HD13 ILE A 297 41.450 113.826 3.175 1.00 17.73 H new ATOM 2328 N THR A 298 45.684 110.967 4.264 1.00 16.63 N ATOM 2329 CA THR A 298 46.672 111.348 5.295 1.00 16.31 C ATOM 2330 C THR A 298 46.388 112.737 5.890 1.00 16.74 C ATOM 2331 O THR A 298 45.605 113.528 5.349 1.00 16.60 O ATOM 2332 CB THR A 298 48.123 111.306 4.765 1.00 16.69 C ATOM 2333 OG1 THR A 298 48.256 112.420 3.861 1.00 18.83 O ATOM 2334 CG2 THR A 298 48.472 109.971 4.146 1.00 18.41 C ATOM 0 H THR A 298 45.907 111.165 3.458 1.00 16.63 H new ATOM 0 HA THR A 298 46.580 110.684 5.996 1.00 16.31 H new ATOM 0 HB THR A 298 48.764 111.392 5.488 1.00 16.69 H new ATOM 0 HG1 THR A 298 49.008 112.390 3.487 1.00 18.83 H new ATOM 0 HG21 THR A 298 49.388 109.991 3.829 1.00 18.41 H new ATOM 0 HG22 THR A 298 48.376 109.271 4.810 1.00 18.41 H new ATOM 0 HG23 THR A 298 47.876 109.794 3.401 1.00 18.41 H new ATOM 2335 N ALA A 299 47.048 113.103 7.004 1.00 16.14 N ATOM 2336 CA ALA A 299 46.888 114.446 7.580 1.00 15.74 C ATOM 2337 C ALA A 299 47.278 115.541 6.575 1.00 15.69 C ATOM 2338 O ALA A 299 46.552 116.523 6.385 1.00 17.44 O ATOM 2339 CB ALA A 299 47.600 114.574 8.906 1.00 17.92 C ATOM 0 H ALA A 299 47.588 112.591 7.435 1.00 16.14 H new ATOM 0 HA ALA A 299 45.946 114.577 7.770 1.00 15.74 H new ATOM 0 HB1 ALA A 299 47.474 115.470 9.256 1.00 17.92 H new ATOM 0 HB2 ALA A 299 47.237 113.928 9.532 1.00 17.92 H new ATOM 0 HB3 ALA A 299 48.547 114.406 8.782 1.00 17.92 H new ATOM 2340 N ALA A 300 48.452 115.377 5.944 1.00 16.73 N ATOM 2341 CA ALA A 300 48.948 116.348 4.948 1.00 19.02 C ATOM 2342 C ALA A 300 47.971 116.486 3.770 1.00 19.83 C ATOM 2343 O ALA A 300 47.684 117.632 3.342 1.00 21.06 O ATOM 2344 CB ALA A 300 50.329 115.921 4.512 1.00 20.47 C ATOM 0 H ALA A 300 48.977 114.710 6.078 1.00 16.73 H new ATOM 0 HA ALA A 300 49.007 117.232 5.344 1.00 19.02 H new ATOM 0 HB1 ALA A 300 50.670 116.549 3.856 1.00 20.47 H new ATOM 0 HB2 ALA A 300 50.920 115.903 5.281 1.00 20.47 H new ATOM 0 HB3 ALA A 300 50.285 115.036 4.118 1.00 20.47 H new ATOM 2345 N GLN A 301 47.434 115.374 3.243 1.00 18.18 N ATOM 2346 CA GLN A 301 46.396 115.453 2.180 1.00 18.61 C ATOM 2347 C GLN A 301 45.117 116.125 2.703 1.00 18.92 C ATOM 2348 O GLN A 301 44.477 116.940 1.950 1.00 20.50 O ATOM 2349 CB GLN A 301 46.116 114.050 1.646 1.00 18.78 C ATOM 2350 CG GLN A 301 47.270 113.401 0.883 1.00 20.29 C ATOM 2351 CD GLN A 301 47.303 111.878 0.933 1.00 22.45 C ATOM 2352 OE1 GLN A 301 46.334 111.219 1.388 1.00 20.37 O ATOM 2353 NE2 GLN A 301 48.426 111.226 0.528 1.00 20.98 N ATOM 0 H GLN A 301 47.648 114.575 3.478 1.00 18.18 H new ATOM 0 HA GLN A 301 46.724 116.004 1.453 1.00 18.61 H new ATOM 0 HB2 GLN A 301 45.878 113.477 2.392 1.00 18.78 H new ATOM 0 HB3 GLN A 301 45.343 114.090 1.061 1.00 18.78 H new ATOM 0 HG2 GLN A 301 47.223 113.679 -0.045 1.00 20.29 H new ATOM 0 HG3 GLN A 301 48.106 113.741 1.239 1.00 20.29 H new ATOM 0 HE21 GLN A 301 49.092 111.671 0.216 1.00 20.98 H new ATOM 0 HE22 GLN A 301 48.469 110.369 0.584 1.00 20.98 H new ATOM 2354 N ALA A 302 44.628 115.789 3.910 1.00 16.75 N ATOM 2355 CA ALA A 302 43.367 116.345 4.433 1.00 17.27 C ATOM 2356 C ALA A 302 43.429 117.875 4.599 1.00 18.20 C ATOM 2357 O ALA A 302 42.373 118.519 4.425 1.00 19.04 O ATOM 2358 CB ALA A 302 42.952 115.663 5.708 1.00 16.91 C ATOM 0 H ALA A 302 45.016 115.237 4.443 1.00 16.75 H new ATOM 0 HA ALA A 302 42.682 116.165 3.770 1.00 17.27 H new ATOM 0 HB1 ALA A 302 42.121 116.050 6.026 1.00 16.91 H new ATOM 0 HB2 ALA A 302 42.825 114.716 5.542 1.00 16.91 H new ATOM 0 HB3 ALA A 302 43.642 115.783 6.379 1.00 16.91 H new ATOM 2359 N LEU A 303 44.602 118.452 4.957 1.00 18.53 N ATOM 2360 CA LEU A 303 44.729 119.908 5.148 1.00 18.78 C ATOM 2361 C LEU A 303 44.397 120.660 3.832 1.00 19.23 C ATOM 2362 O LEU A 303 43.929 121.805 3.944 1.00 22.64 O ATOM 2363 CB LEU A 303 46.117 120.226 5.701 1.00 19.70 C ATOM 2364 CG LEU A 303 46.366 119.869 7.173 1.00 18.83 C ATOM 2365 CD1 LEU A 303 47.863 119.905 7.469 1.00 21.56 C ATOM 2366 CD2 LEU A 303 45.650 120.813 8.132 1.00 20.58 C ATOM 0 H LEU A 303 45.329 118.013 5.092 1.00 18.53 H new ATOM 0 HA LEU A 303 44.084 120.221 5.801 1.00 18.78 H new ATOM 0 HB2 LEU A 303 46.773 119.760 5.160 1.00 19.70 H new ATOM 0 HB3 LEU A 303 46.279 121.176 5.587 1.00 19.70 H new ATOM 0 HG LEU A 303 46.011 118.977 7.311 1.00 18.83 H new ATOM 0 HD11 LEU A 303 48.015 119.679 8.400 1.00 21.56 H new ATOM 0 HD12 LEU A 303 48.321 119.264 6.902 1.00 21.56 H new ATOM 0 HD13 LEU A 303 48.207 120.795 7.293 1.00 21.56 H new ATOM 0 HD21 LEU A 303 45.837 120.548 9.046 1.00 20.58 H new ATOM 0 HD22 LEU A 303 45.963 121.720 7.988 1.00 20.58 H new ATOM 0 HD23 LEU A 303 44.694 120.772 7.973 1.00 20.58 H new ATOM 2367 N ALA A 304 44.619 120.022 2.690 1.00 18.35 N ATOM 2368 CA ALA A 304 44.399 120.607 1.338 1.00 22.06 C ATOM 2369 C ALA A 304 42.966 120.301 0.849 1.00 23.11 C ATOM 2370 O ALA A 304 42.590 120.800 -0.265 1.00 22.30 O ATOM 2371 CB ALA A 304 45.436 120.076 0.333 1.00 21.61 C ATOM 0 H ALA A 304 44.910 119.213 2.663 1.00 18.35 H new ATOM 0 HA ALA A 304 44.508 121.569 1.402 1.00 22.06 H new ATOM 0 HB1 ALA A 304 45.273 120.470 -0.538 1.00 21.61 H new ATOM 0 HB2 ALA A 304 46.328 120.312 0.633 1.00 21.61 H new ATOM 0 HB3 ALA A 304 45.361 119.111 0.270 1.00 21.61 H new ATOM 2372 N HIS A 305 42.124 119.622 1.619 1.00 20.55 N ATOM 2373 CA HIS A 305 40.717 119.349 1.206 1.00 21.63 C ATOM 2374 C HIS A 305 39.903 120.661 1.248 1.00 19.96 C ATOM 2375 O HIS A 305 40.080 121.534 2.135 1.00 21.17 O ATOM 2376 CB HIS A 305 40.124 118.237 2.105 1.00 21.15 C ATOM 2377 CG HIS A 305 38.777 117.731 1.700 1.00 19.86 C ATOM 2378 ND1 HIS A 305 37.623 118.438 1.972 1.00 21.82 N ATOM 2379 CD2 HIS A 305 38.432 116.615 1.037 1.00 20.91 C ATOM 2380 CE1 HIS A 305 36.599 117.708 1.473 1.00 19.86 C ATOM 2381 NE2 HIS A 305 37.060 116.618 0.892 1.00 21.80 N ATOM 0 H HIS A 305 42.333 119.303 2.390 1.00 20.55 H new ATOM 0 HA HIS A 305 40.683 119.025 0.292 1.00 21.63 H new ATOM 0 HB2 HIS A 305 40.742 117.490 2.118 1.00 21.15 H new ATOM 0 HB3 HIS A 305 40.066 118.573 3.013 1.00 21.15 H new ATOM 0 HD2 HIS A 305 39.014 115.958 0.730 1.00 20.91 H new ATOM 0 HE1 HIS A 305 35.701 117.941 1.531 1.00 19.86 H new ATOM 0 HE2 HIS A 305 36.590 116.017 0.494 1.00 21.80 H new ATOM 2382 N ALA A 306 38.977 120.817 0.286 1.00 21.37 N ATOM 2383 CA ALA A 306 38.186 122.055 0.172 1.00 25.18 C ATOM 2384 C ALA A 306 37.391 122.384 1.432 1.00 22.13 C ATOM 2385 O ALA A 306 37.079 123.542 1.655 1.00 24.03 O ATOM 2386 CB ALA A 306 37.327 121.993 -1.079 1.00 27.08 C ATOM 0 H ALA A 306 38.793 120.221 -0.306 1.00 21.37 H new ATOM 0 HA ALA A 306 38.801 122.800 0.083 1.00 25.18 H new ATOM 0 HB1 ALA A 306 36.806 122.808 -1.155 1.00 27.08 H new ATOM 0 HB2 ALA A 306 37.897 121.900 -1.859 1.00 27.08 H new ATOM 0 HB3 ALA A 306 36.729 121.231 -1.024 1.00 27.08 H new ATOM 2387 N TYR A 307 37.059 121.432 2.327 1.00 20.60 N ATOM 2388 CA TYR A 307 36.335 121.738 3.580 1.00 21.97 C ATOM 2389 C TYR A 307 37.054 122.806 4.417 1.00 21.56 C ATOM 2390 O TYR A 307 36.410 123.536 5.194 1.00 22.84 O ATOM 2391 CB TYR A 307 36.119 120.464 4.409 1.00 20.89 C ATOM 2392 CG TYR A 307 35.224 120.625 5.610 1.00 21.14 C ATOM 2393 CD1 TYR A 307 33.941 121.186 5.522 1.00 23.32 C ATOM 2394 CD2 TYR A 307 35.608 120.143 6.870 1.00 21.76 C ATOM 2395 CE1 TYR A 307 33.130 121.302 6.632 1.00 23.67 C ATOM 2396 CE2 TYR A 307 34.800 120.276 7.976 1.00 22.63 C ATOM 2397 CZ TYR A 307 33.533 120.825 7.867 1.00 23.04 C ATOM 2398 OH TYR A 307 32.744 120.899 8.978 1.00 24.55 O ATOM 0 H TYR A 307 37.246 120.599 2.225 1.00 20.60 H new ATOM 0 HA TYR A 307 35.471 122.099 3.328 1.00 21.97 H new ATOM 0 HB2 TYR A 307 35.743 119.780 3.833 1.00 20.89 H new ATOM 0 HB3 TYR A 307 36.983 120.140 4.708 1.00 20.89 H new ATOM 0 HD1 TYR A 307 33.631 121.486 4.698 1.00 23.32 H new ATOM 0 HD2 TYR A 307 36.432 119.722 6.961 1.00 21.76 H new ATOM 0 HE1 TYR A 307 32.297 121.708 6.549 1.00 23.67 H new ATOM 0 HE2 TYR A 307 35.108 119.994 8.807 1.00 22.63 H new ATOM 0 HH TYR A 307 32.018 121.273 8.782 1.00 24.55 H new ATOM 2399 N PHE A 308 38.410 122.853 4.360 1.00 21.91 N ATOM 2400 CA PHE A 308 39.245 123.763 5.174 1.00 21.33 C ATOM 2401 C PHE A 308 39.738 124.997 4.389 1.00 25.37 C ATOM 2402 O PHE A 308 40.655 125.684 4.875 1.00 24.79 O ATOM 2403 CB PHE A 308 40.467 123.031 5.752 1.00 20.13 C ATOM 2404 CG PHE A 308 40.092 121.810 6.561 1.00 18.33 C ATOM 2405 CD1 PHE A 308 39.309 121.923 7.689 1.00 20.10 C ATOM 2406 CD2 PHE A 308 40.474 120.536 6.140 1.00 20.20 C ATOM 2407 CE1 PHE A 308 38.931 120.786 8.435 1.00 19.32 C ATOM 2408 CE2 PHE A 308 40.102 119.415 6.878 1.00 18.87 C ATOM 2409 CZ PHE A 308 39.298 119.534 7.987 1.00 18.42 C ATOM 0 H PHE A 308 38.870 122.347 3.838 1.00 21.91 H new ATOM 0 HA PHE A 308 38.668 124.069 5.891 1.00 21.33 H new ATOM 0 HB2 PHE A 308 41.052 122.765 5.026 1.00 20.13 H new ATOM 0 HB3 PHE A 308 40.970 123.643 6.312 1.00 20.13 H new ATOM 0 HD1 PHE A 308 39.024 122.764 7.964 1.00 20.10 H new ATOM 0 HD2 PHE A 308 40.978 120.435 5.365 1.00 20.20 H new ATOM 0 HE1 PHE A 308 38.440 120.880 9.219 1.00 19.32 H new ATOM 0 HE2 PHE A 308 40.402 118.574 6.617 1.00 18.87 H new ATOM 0 HZ PHE A 308 39.003 118.773 8.433 1.00 18.42 H new ATOM 2410 N ALA A 309 39.075 125.343 3.287 1.00 26.19 N ATOM 2411 CA ALA A 309 39.551 126.466 2.424 1.00 28.40 C ATOM 2412 C ALA A 309 39.776 127.772 3.204 1.00 28.59 C ATOM 2413 O ALA A 309 40.742 128.525 2.862 1.00 31.90 O ATOM 2414 CB ALA A 309 38.586 126.673 1.270 1.00 29.36 C ATOM 0 H ALA A 309 38.358 124.957 3.012 1.00 26.19 H new ATOM 0 HA ALA A 309 40.420 126.214 2.074 1.00 28.40 H new ATOM 0 HB1 ALA A 309 38.899 127.403 0.713 1.00 29.36 H new ATOM 0 HB2 ALA A 309 38.535 125.862 0.741 1.00 29.36 H new ATOM 0 HB3 ALA A 309 37.706 126.887 1.618 1.00 29.36 H new ATOM 2415 N GLN A 310 38.953 128.093 4.204 0.48 28.11 N ATOM 2416 CA GLN A 310 39.087 129.403 4.901 0.48 30.31 C ATOM 2417 C GLN A 310 40.232 129.385 5.928 0.48 30.04 C ATOM 2418 O GLN A 310 40.576 130.479 6.432 0.48 28.96 O ATOM 2419 CB GLN A 310 37.773 129.860 5.539 0.48 31.04 C ATOM 2420 CG GLN A 310 37.250 128.986 6.664 0.48 33.47 C ATOM 2421 CD GLN A 310 35.910 129.479 7.159 0.48 35.78 C ATOM 2422 OE1 GLN A 310 35.730 130.792 7.158 0.48 36.64 O flip ATOM 2423 NE2 GLN A 310 35.035 128.695 7.527 0.48 35.42 N flip ATOM 0 H GLN A 310 38.321 127.588 4.497 0.48 28.11 H new ATOM 0 HA GLN A 310 39.312 130.057 4.221 0.48 30.31 H new ATOM 0 HB2 GLN A 310 37.894 130.760 5.880 0.48 31.04 H new ATOM 0 HB3 GLN A 310 37.095 129.908 4.846 0.48 31.04 H new ATOM 0 HG2 GLN A 310 37.167 128.071 6.354 0.48 33.47 H new ATOM 0 HG3 GLN A 310 37.886 128.981 7.396 0.48 33.47 H new ATOM 0 HE21 GLN A 310 35.184 127.848 7.515 0.48 35.42 H new ATOM 0 HE22 GLN A 310 34.275 128.994 7.796 0.48 35.42 H new ATOM 2424 N TYR A 311 40.812 128.222 6.247 1.00 28.14 N ATOM 2425 CA TYR A 311 41.933 128.151 7.226 1.00 25.39 C ATOM 2426 C TYR A 311 43.283 127.673 6.670 1.00 22.70 C ATOM 2427 O TYR A 311 44.332 128.048 7.224 1.00 25.43 O ATOM 2428 CB TYR A 311 41.520 127.271 8.422 1.00 26.07 C ATOM 2429 CG TYR A 311 40.326 127.783 9.177 1.00 25.70 C ATOM 2430 CD1 TYR A 311 39.102 127.165 9.064 1.00 27.84 C ATOM 2431 CD2 TYR A 311 40.415 128.931 9.949 1.00 32.95 C ATOM 2432 CE1 TYR A 311 37.984 127.654 9.709 1.00 28.04 C ATOM 2433 CE2 TYR A 311 39.304 129.448 10.597 1.00 33.31 C ATOM 2434 CZ TYR A 311 38.078 128.816 10.458 1.00 33.25 C ATOM 2435 OH TYR A 311 36.940 129.286 11.060 1.00 34.81 O ATOM 0 H TYR A 311 40.580 127.463 5.916 1.00 28.14 H new ATOM 0 HA TYR A 311 42.089 129.070 7.494 1.00 25.39 H new ATOM 0 HB2 TYR A 311 41.328 126.376 8.102 1.00 26.07 H new ATOM 0 HB3 TYR A 311 42.270 127.199 9.033 1.00 26.07 H new ATOM 0 HD1 TYR A 311 39.026 126.400 8.541 1.00 27.84 H new ATOM 0 HD2 TYR A 311 41.235 129.362 10.034 1.00 32.95 H new ATOM 0 HE1 TYR A 311 37.172 127.206 9.641 1.00 28.04 H new ATOM 0 HE2 TYR A 311 39.380 130.213 11.121 1.00 33.31 H new ATOM 0 HH TYR A 311 36.434 128.642 11.245 1.00 34.81 H new ATOM 2436 N HIS A 312 43.270 126.873 5.601 0.48 22.82 N ATOM 2437 CA HIS A 312 44.471 126.206 5.029 0.48 22.23 C ATOM 2438 C HIS A 312 45.512 127.247 4.581 0.48 23.76 C ATOM 2439 O HIS A 312 45.164 128.132 3.771 0.48 25.56 O ATOM 2440 CB HIS A 312 44.068 125.256 3.888 0.48 22.12 C ATOM 2441 CG HIS A 312 45.205 124.652 3.134 0.48 23.13 C ATOM 2442 ND1 HIS A 312 46.288 124.057 3.768 0.48 20.39 N ATOM 2443 CD2 HIS A 312 45.408 124.501 1.804 0.48 23.42 C ATOM 2444 CE1 HIS A 312 47.119 123.586 2.856 0.48 22.66 C ATOM 2445 NE2 HIS A 312 46.599 123.842 1.632 0.48 21.37 N ATOM 0 H HIS A 312 42.548 126.692 5.170 0.48 22.82 H new ATOM 0 HA HIS A 312 44.888 125.667 5.719 0.48 22.23 H new ATOM 0 HB2 HIS A 312 43.527 124.541 4.258 0.48 22.12 H new ATOM 0 HB3 HIS A 312 43.507 125.742 3.264 0.48 22.12 H new ATOM 0 HD1 HIS A 312 46.400 124.004 4.619 0.48 20.39 H new ATOM 0 HD2 HIS A 312 44.841 124.792 1.127 0.48 23.42 H new ATOM 0 HE1 HIS A 312 47.924 123.152 3.025 0.48 22.66 H new ATOM 2446 N ASP A 313 46.747 127.116 5.071 1.00 23.74 N ATOM 2447 CA ASP A 313 47.887 127.999 4.680 1.00 23.95 C ATOM 2448 C ASP A 313 49.096 127.109 4.590 1.00 23.15 C ATOM 2449 O ASP A 313 49.683 126.750 5.609 1.00 22.93 O ATOM 2450 CB ASP A 313 48.105 129.153 5.660 1.00 26.47 C ATOM 2451 CG ASP A 313 49.258 130.035 5.198 1.00 28.52 C ATOM 2452 OD1 ASP A 313 49.949 129.643 4.255 1.00 28.83 O ATOM 2453 OD2 ASP A 313 49.456 131.097 5.849 1.00 34.56 O ATOM 0 H ASP A 313 46.962 126.512 5.644 1.00 23.74 H new ATOM 0 HA ASP A 313 47.702 128.431 3.831 1.00 23.95 H new ATOM 0 HB2 ASP A 313 47.295 129.682 5.731 1.00 26.47 H new ATOM 0 HB3 ASP A 313 48.293 128.802 6.544 1.00 26.47 H new ATOM 2454 N PRO A 314 49.490 126.663 3.382 1.00 23.39 N ATOM 2455 CA PRO A 314 50.577 125.704 3.258 1.00 24.52 C ATOM 2456 C PRO A 314 51.946 126.247 3.705 1.00 24.80 C ATOM 2457 O PRO A 314 52.837 125.455 3.846 1.00 26.54 O ATOM 2458 CB PRO A 314 50.528 125.300 1.766 1.00 26.65 C ATOM 2459 CG PRO A 314 49.936 126.507 1.093 1.00 28.71 C ATOM 2460 CD PRO A 314 48.960 127.104 2.081 1.00 28.40 C ATOM 0 HA PRO A 314 50.465 124.946 3.853 1.00 24.52 H new ATOM 0 HB2 PRO A 314 51.412 125.097 1.422 1.00 26.65 H new ATOM 0 HB3 PRO A 314 49.982 124.510 1.628 1.00 26.65 H new ATOM 0 HG2 PRO A 314 50.627 127.147 0.859 1.00 28.71 H new ATOM 0 HG3 PRO A 314 49.487 126.259 0.269 1.00 28.71 H new ATOM 0 HD2 PRO A 314 48.930 128.071 2.015 1.00 28.40 H new ATOM 0 HD3 PRO A 314 48.057 126.781 1.933 1.00 28.40 H new ATOM 2461 N ASP A 315 52.054 127.558 3.957 1.00 25.53 N ATOM 2462 CA ASP A 315 53.295 128.192 4.502 1.00 26.02 C ATOM 2463 C ASP A 315 53.205 128.317 6.021 1.00 27.58 C ATOM 2464 O ASP A 315 54.190 128.762 6.636 1.00 27.77 O ATOM 2465 CB ASP A 315 53.554 129.552 3.847 1.00 29.09 C ATOM 2466 CG ASP A 315 53.883 129.433 2.371 1.00 34.48 C ATOM 2467 OD1 ASP A 315 54.593 128.461 1.973 1.00 34.47 O ATOM 2468 OD2 ASP A 315 53.421 130.281 1.645 1.00 40.91 O ATOM 0 H ASP A 315 51.414 128.116 3.820 1.00 25.53 H new ATOM 0 HA ASP A 315 54.049 127.620 4.289 1.00 26.02 H new ATOM 0 HB2 ASP A 315 52.771 130.115 3.956 1.00 29.09 H new ATOM 0 HB3 ASP A 315 54.287 129.993 4.304 1.00 29.09 H new ATOM 2469 N ASP A 316 52.120 127.853 6.644 1.00 24.02 N ATOM 2470 CA ASP A 316 51.994 127.898 8.127 1.00 25.15 C ATOM 2471 C ASP A 316 51.421 126.564 8.636 1.00 21.10 C ATOM 2472 O ASP A 316 50.576 126.622 9.565 1.00 24.39 O ATOM 2473 CB ASP A 316 51.168 129.085 8.596 1.00 27.56 C ATOM 2474 CG ASP A 316 51.315 129.410 10.085 1.00 29.24 C ATOM 2475 OD1 ASP A 316 52.263 128.918 10.738 1.00 36.06 O ATOM 2476 OD2 ASP A 316 50.420 130.065 10.552 1.00 41.69 O ATOM 0 H ASP A 316 51.444 127.508 6.240 1.00 24.02 H new ATOM 0 HA ASP A 316 52.878 128.022 8.506 1.00 25.15 H new ATOM 0 HB2 ASP A 316 51.422 129.866 8.079 1.00 27.56 H new ATOM 0 HB3 ASP A 316 50.233 128.910 8.405 1.00 27.56 H new ATOM 2477 N GLU A 317 51.976 125.450 8.140 1.00 22.24 N ATOM 2478 CA GLU A 317 51.599 124.060 8.541 1.00 20.63 C ATOM 2479 C GLU A 317 52.909 123.305 8.731 1.00 20.48 C ATOM 2480 O GLU A 317 53.262 122.401 7.956 1.00 21.61 O ATOM 2481 CB GLU A 317 50.623 123.432 7.529 1.00 20.91 C ATOM 2482 CG GLU A 317 49.248 124.129 7.535 1.00 21.39 C ATOM 2483 CD GLU A 317 48.279 123.802 6.405 1.00 20.83 C ATOM 2484 OE1 GLU A 317 48.722 123.202 5.440 1.00 24.10 O ATOM 2485 OE2 GLU A 317 47.168 124.335 6.424 1.00 21.42 O ATOM 0 H GLU A 317 52.598 125.471 7.546 1.00 22.24 H new ATOM 0 HA GLU A 317 51.102 124.032 9.374 1.00 20.63 H new ATOM 0 HB2 GLU A 317 51.006 123.483 6.639 1.00 20.91 H new ATOM 0 HB3 GLU A 317 50.508 122.491 7.735 1.00 20.91 H new ATOM 0 HG2 GLU A 317 48.810 123.916 8.374 1.00 21.39 H new ATOM 0 HG3 GLU A 317 49.400 125.087 7.529 1.00 21.39 H new ATOM 2486 N PRO A 318 53.664 123.625 9.797 1.00 20.38 N ATOM 2487 CA PRO A 318 55.034 123.122 9.920 1.00 21.74 C ATOM 2488 C PRO A 318 55.176 121.631 10.269 1.00 22.54 C ATOM 2489 O PRO A 318 54.258 120.998 10.811 1.00 22.21 O ATOM 2490 CB PRO A 318 55.612 124.049 10.994 1.00 23.15 C ATOM 2491 CG PRO A 318 54.466 124.525 11.816 1.00 24.89 C ATOM 2492 CD PRO A 318 53.279 124.536 10.889 1.00 22.58 C ATOM 0 HA PRO A 318 55.503 123.143 9.071 1.00 21.74 H new ATOM 0 HB2 PRO A 318 56.257 123.578 11.544 1.00 23.15 H new ATOM 0 HB3 PRO A 318 56.078 124.797 10.588 1.00 23.15 H new ATOM 0 HG2 PRO A 318 54.312 123.938 12.573 1.00 24.89 H new ATOM 0 HG3 PRO A 318 54.637 125.410 12.174 1.00 24.89 H new ATOM 0 HD2 PRO A 318 52.476 124.231 11.339 1.00 22.58 H new ATOM 0 HD3 PRO A 318 53.097 125.429 10.558 1.00 22.58 H new ATOM 2493 N VAL A 319 56.320 121.074 9.879 1.00 24.05 N ATOM 2494 CA VAL A 319 56.762 119.697 10.204 1.00 21.74 C ATOM 2495 C VAL A 319 57.762 119.723 11.365 1.00 18.81 C ATOM 2496 O VAL A 319 58.271 120.839 11.776 1.00 21.64 O ATOM 2497 CB VAL A 319 57.297 118.938 8.988 1.00 24.74 C ATOM 2498 CG1 VAL A 319 56.229 118.801 7.897 1.00 30.94 C ATOM 2499 CG2 VAL A 319 58.572 119.574 8.442 1.00 28.60 C ATOM 0 H VAL A 319 56.891 121.499 9.396 1.00 24.05 H new ATOM 0 HA VAL A 319 55.981 119.198 10.489 1.00 21.74 H new ATOM 0 HB VAL A 319 57.526 118.044 9.286 1.00 24.74 H new ATOM 0 HG11 VAL A 319 56.598 118.317 7.142 1.00 30.94 H new ATOM 0 HG12 VAL A 319 55.466 118.317 8.250 1.00 30.94 H new ATOM 0 HG13 VAL A 319 55.946 119.683 7.608 1.00 30.94 H new ATOM 0 HG21 VAL A 319 58.883 119.069 7.674 1.00 28.60 H new ATOM 0 HG22 VAL A 319 58.389 120.488 8.175 1.00 28.60 H new ATOM 0 HG23 VAL A 319 59.256 119.570 9.130 1.00 28.60 H new ATOM 2500 N ALA A 320 58.009 118.544 11.920 1.00 19.47 N ATOM 2501 CA ALA A 320 58.851 118.375 13.119 1.00 21.27 C ATOM 2502 C ALA A 320 60.316 118.215 12.701 1.00 19.05 C ATOM 2503 O ALA A 320 60.597 117.674 11.600 1.00 19.89 O ATOM 2504 CB ALA A 320 58.384 117.188 13.945 1.00 20.76 C ATOM 0 H ALA A 320 57.693 117.805 11.614 1.00 19.47 H new ATOM 0 HA ALA A 320 58.771 119.166 13.675 1.00 21.27 H new ATOM 0 HB1 ALA A 320 58.950 117.095 14.727 1.00 20.76 H new ATOM 0 HB2 ALA A 320 57.466 117.330 14.226 1.00 20.76 H new ATOM 0 HB3 ALA A 320 58.437 116.380 13.410 1.00 20.76 H new ATOM 2505 N ASP A 321 61.202 118.549 13.655 1.00 19.23 N ATOM 2506 CA ASP A 321 62.603 118.090 13.562 1.00 19.02 C ATOM 2507 C ASP A 321 62.606 116.566 13.599 1.00 19.83 C ATOM 2508 O ASP A 321 61.741 115.879 14.170 1.00 18.59 O ATOM 2509 CB ASP A 321 63.434 118.666 14.693 1.00 21.91 C ATOM 2510 CG ASP A 321 63.773 120.131 14.565 1.00 30.44 C ATOM 2511 OD1 ASP A 321 63.691 120.659 13.437 1.00 32.66 O ATOM 2512 OD2 ASP A 321 64.160 120.712 15.612 1.00 31.10 O ATOM 0 H ASP A 321 61.020 119.027 14.346 1.00 19.23 H new ATOM 0 HA ASP A 321 63.000 118.398 12.732 1.00 19.02 H new ATOM 0 HB2 ASP A 321 62.956 118.532 15.526 1.00 21.91 H new ATOM 0 HB3 ASP A 321 64.261 118.162 14.756 1.00 21.91 H new ATOM 2513 N PRO A 322 63.610 115.901 12.991 1.00 21.89 N ATOM 2514 CA PRO A 322 63.742 114.458 13.109 1.00 22.20 C ATOM 2515 C PRO A 322 63.781 113.931 14.555 1.00 20.04 C ATOM 2516 O PRO A 322 64.321 114.626 15.408 1.00 21.62 O ATOM 2517 CB PRO A 322 65.126 114.240 12.388 1.00 25.77 C ATOM 2518 CG PRO A 322 65.298 115.416 11.481 1.00 28.78 C ATOM 2519 CD PRO A 322 64.742 116.555 12.280 1.00 27.01 C ATOM 0 HA PRO A 322 62.984 113.981 12.736 1.00 22.20 H new ATOM 0 HB2 PRO A 322 65.850 114.187 13.032 1.00 25.77 H new ATOM 0 HB3 PRO A 322 65.131 113.410 11.887 1.00 25.77 H new ATOM 0 HG2 PRO A 322 66.230 115.560 11.255 1.00 28.78 H new ATOM 0 HG3 PRO A 322 64.818 115.297 10.646 1.00 28.78 H new ATOM 0 HD2 PRO A 322 65.396 116.921 12.896 1.00 27.01 H new ATOM 0 HD3 PRO A 322 64.444 117.285 11.715 1.00 27.01 H new ATOM 2520 N TYR A 323 63.141 112.782 14.787 1.00 20.82 N ATOM 2521 CA TYR A 323 62.976 112.168 16.134 1.00 21.11 C ATOM 2522 C TYR A 323 63.595 110.760 16.140 1.00 23.35 C ATOM 2523 O TYR A 323 63.036 109.859 15.474 1.00 24.38 O ATOM 2524 CB TYR A 323 61.491 112.211 16.546 1.00 22.22 C ATOM 2525 CG TYR A 323 61.228 111.712 17.940 1.00 21.12 C ATOM 2526 CD1 TYR A 323 61.833 112.391 18.983 1.00 23.52 C ATOM 2527 CD2 TYR A 323 60.512 110.580 18.203 1.00 22.68 C ATOM 2528 CE1 TYR A 323 61.686 111.961 20.275 1.00 26.63 C ATOM 2529 CE2 TYR A 323 60.276 110.184 19.511 1.00 26.82 C ATOM 2530 CZ TYR A 323 60.868 110.897 20.541 1.00 24.23 C ATOM 2531 OH TYR A 323 60.662 110.470 21.829 1.00 30.56 O ATOM 0 H TYR A 323 62.779 112.319 14.159 1.00 20.82 H new ATOM 0 HA TYR A 323 63.455 112.674 16.808 1.00 21.11 H new ATOM 0 HB2 TYR A 323 61.171 113.124 16.474 1.00 22.22 H new ATOM 0 HB3 TYR A 323 60.976 111.679 15.919 1.00 22.22 H new ATOM 0 HD1 TYR A 323 62.345 113.147 18.805 1.00 23.52 H new ATOM 0 HD2 TYR A 323 60.180 110.070 17.500 1.00 22.68 H new ATOM 0 HE1 TYR A 323 62.138 112.389 20.966 1.00 26.63 H new ATOM 0 HE2 TYR A 323 59.730 109.453 19.693 1.00 26.82 H new ATOM 0 HH TYR A 323 60.583 109.634 21.838 1.00 30.56 H new ATOM 2532 N ASP A 324 64.696 110.556 16.892 1.00 20.24 N ATOM 2533 CA ASP A 324 65.386 109.245 16.999 1.00 20.21 C ATOM 2534 C ASP A 324 64.738 108.365 18.069 1.00 20.52 C ATOM 2535 O ASP A 324 64.829 108.757 19.252 1.00 23.48 O ATOM 2536 CB ASP A 324 66.863 109.499 17.232 1.00 21.96 C ATOM 2537 CG ASP A 324 67.726 108.232 17.295 1.00 25.76 C ATOM 2538 OD1 ASP A 324 67.226 107.213 17.741 1.00 25.15 O ATOM 2539 OD2 ASP A 324 68.945 108.350 16.931 1.00 28.42 O ATOM 0 H ASP A 324 65.066 111.177 17.357 1.00 20.24 H new ATOM 0 HA ASP A 324 65.296 108.743 16.174 1.00 20.21 H new ATOM 0 HB2 ASP A 324 67.197 110.069 16.522 1.00 21.96 H new ATOM 0 HB3 ASP A 324 66.968 109.989 18.062 1.00 21.96 H new ATOM 2540 N GLN A 325 64.030 107.336 17.630 1.00 21.59 N ATOM 2541 CA GLN A 325 63.324 106.342 18.464 1.00 24.78 C ATOM 2542 C GLN A 325 64.033 104.979 18.502 1.00 26.67 C ATOM 2543 O GLN A 325 63.410 103.986 18.916 1.00 24.41 O ATOM 2544 CB GLN A 325 61.918 106.064 17.948 1.00 30.74 C ATOM 2545 CG GLN A 325 61.026 107.252 17.997 1.00 36.30 C ATOM 2546 CD GLN A 325 59.591 106.788 17.875 1.00 33.59 C ATOM 2547 OE1 GLN A 325 59.113 106.084 18.756 1.00 34.48 O ATOM 2548 NE2 GLN A 325 58.942 107.195 16.792 1.00 29.00 N ATOM 0 H GLN A 325 63.936 107.180 16.789 1.00 21.59 H new ATOM 0 HA GLN A 325 63.308 106.741 19.348 1.00 24.78 H new ATOM 0 HB2 GLN A 325 61.973 105.747 17.033 1.00 30.74 H new ATOM 0 HB3 GLN A 325 61.523 105.350 18.472 1.00 30.74 H new ATOM 0 HG2 GLN A 325 61.154 107.734 18.829 1.00 36.30 H new ATOM 0 HG3 GLN A 325 61.243 107.865 17.278 1.00 36.30 H new ATOM 0 HE21 GLN A 325 59.341 107.689 16.212 1.00 29.00 H new ATOM 0 HE22 GLN A 325 58.123 106.964 16.670 1.00 29.00 H new ATOM 2549 N SER A 326 65.323 104.973 18.223 1.00 22.40 N ATOM 2550 CA SER A 326 66.148 103.739 18.209 1.00 23.66 C ATOM 2551 C SER A 326 66.144 103.138 19.615 1.00 25.16 C ATOM 2552 O SER A 326 66.266 101.914 19.726 1.00 24.26 O ATOM 2553 CB SER A 326 67.530 103.943 17.696 1.00 24.72 C ATOM 2554 OG SER A 326 68.302 104.815 18.477 1.00 21.99 O ATOM 0 H SER A 326 65.765 105.685 18.032 1.00 22.40 H new ATOM 0 HA SER A 326 65.749 103.119 17.579 1.00 23.66 H new ATOM 0 HB2 SER A 326 67.978 103.084 17.647 1.00 24.72 H new ATOM 0 HB3 SER A 326 67.482 104.290 16.791 1.00 24.72 H new ATOM 0 HG SER A 326 68.060 105.607 18.335 1.00 21.99 H new ATOM 2555 N PHE A 327 65.932 103.938 20.680 1.00 20.72 N ATOM 2556 CA PHE A 327 65.931 103.347 22.037 1.00 21.69 C ATOM 2557 C PHE A 327 64.816 102.292 22.185 1.00 21.86 C ATOM 2558 O PHE A 327 64.919 101.453 23.093 1.00 22.23 O ATOM 2559 CB PHE A 327 65.784 104.455 23.110 1.00 20.41 C ATOM 2560 CG PHE A 327 64.419 105.106 23.191 1.00 22.56 C ATOM 2561 CD1 PHE A 327 63.426 104.548 23.983 1.00 22.71 C ATOM 2562 CD2 PHE A 327 64.073 106.163 22.365 1.00 22.17 C ATOM 2563 CE1 PHE A 327 62.174 105.121 24.049 1.00 22.89 C ATOM 2564 CE2 PHE A 327 62.809 106.749 22.443 1.00 22.72 C ATOM 2565 CZ PHE A 327 61.872 106.212 23.290 1.00 22.32 C ATOM 0 H PHE A 327 65.793 104.786 20.644 1.00 20.72 H new ATOM 0 HA PHE A 327 66.781 102.899 22.170 1.00 21.69 H new ATOM 0 HB2 PHE A 327 65.996 104.074 23.977 1.00 20.41 H new ATOM 0 HB3 PHE A 327 66.444 105.144 22.934 1.00 20.41 H new ATOM 0 HD1 PHE A 327 63.607 103.779 24.474 1.00 22.71 H new ATOM 0 HD2 PHE A 327 64.691 106.486 21.750 1.00 22.17 H new ATOM 0 HE1 PHE A 327 61.531 104.760 24.616 1.00 22.89 H new ATOM 0 HE2 PHE A 327 62.604 107.495 21.927 1.00 22.72 H new ATOM 0 HZ PHE A 327 61.026 106.595 23.346 1.00 22.32 H new ATOM 2566 N GLU A 328 63.779 102.351 21.375 1.00 22.75 N ATOM 2567 CA GLU A 328 62.587 101.477 21.546 1.00 23.62 C ATOM 2568 C GLU A 328 62.972 100.000 21.361 1.00 26.70 C ATOM 2569 O GLU A 328 62.245 99.139 21.922 1.00 28.85 O ATOM 2570 CB GLU A 328 61.469 101.893 20.615 1.00 24.37 C ATOM 2571 CG GLU A 328 60.768 103.169 21.052 1.00 23.91 C ATOM 2572 CD GLU A 328 59.837 103.013 22.258 1.00 26.08 C ATOM 2573 OE1 GLU A 328 59.877 101.966 22.974 1.00 26.26 O ATOM 2574 OE2 GLU A 328 59.128 104.026 22.538 1.00 27.65 O ATOM 0 H GLU A 328 63.727 102.890 20.707 1.00 22.75 H new ATOM 0 HA GLU A 328 62.254 101.582 22.451 1.00 23.62 H new ATOM 0 HB2 GLU A 328 61.829 102.018 19.723 1.00 24.37 H new ATOM 0 HB3 GLU A 328 60.818 101.176 20.560 1.00 24.37 H new ATOM 0 HG2 GLU A 328 61.440 103.836 21.263 1.00 23.91 H new ATOM 0 HG3 GLU A 328 60.253 103.512 20.305 1.00 23.91 H new ATOM 2575 N SER A 329 64.046 99.714 20.613 1.00 26.35 N ATOM 2576 CA SER A 329 64.466 98.314 20.313 1.00 29.98 C ATOM 2577 C SER A 329 65.644 97.919 21.192 1.00 32.77 C ATOM 2578 O SER A 329 66.187 96.831 20.973 1.00 37.39 O ATOM 2579 CB SER A 329 64.736 98.116 18.845 1.00 32.75 C ATOM 2580 OG SER A 329 65.675 99.049 18.350 1.00 38.94 O ATOM 0 H SER A 329 64.554 100.314 20.264 1.00 26.35 H new ATOM 0 HA SER A 329 63.733 97.717 20.527 1.00 29.98 H new ATOM 0 HB2 SER A 329 65.066 97.216 18.696 1.00 32.75 H new ATOM 0 HB3 SER A 329 63.906 98.200 18.350 1.00 32.75 H new ATOM 0 HG SER A 329 65.803 98.910 17.532 1.00 38.94 H new ATOM 2581 N ARG A 330 66.047 98.760 22.145 1.00 29.49 N ATOM 2582 CA ARG A 330 67.265 98.578 22.952 1.00 29.48 C ATOM 2583 C ARG A 330 66.922 97.876 24.258 1.00 29.61 C ATOM 2584 O ARG A 330 65.830 98.154 24.862 1.00 31.41 O ATOM 2585 CB ARG A 330 67.915 99.950 23.136 1.00 33.71 C ATOM 2586 CG ARG A 330 69.305 99.994 23.719 1.00 33.38 C ATOM 2587 CD ARG A 330 69.816 101.436 23.826 1.00 31.86 C ATOM 2588 NE ARG A 330 69.835 102.140 22.559 1.00 28.66 N ATOM 2589 CZ ARG A 330 69.652 103.446 22.379 1.00 28.13 C ATOM 2590 NH1 ARG A 330 69.448 104.271 23.408 1.00 27.41 N ATOM 2591 NH2 ARG A 330 69.610 103.930 21.169 1.00 31.65 N ATOM 0 H ARG A 330 65.610 99.472 22.348 1.00 29.49 H new ATOM 0 HA ARG A 330 67.910 98.003 22.510 1.00 29.48 H new ATOM 0 HB2 ARG A 330 67.940 100.387 22.270 1.00 33.71 H new ATOM 0 HB3 ARG A 330 67.336 100.481 23.705 1.00 33.71 H new ATOM 0 HG2 ARG A 330 69.303 99.583 24.598 1.00 33.38 H new ATOM 0 HG3 ARG A 330 69.908 99.475 23.164 1.00 33.38 H new ATOM 0 HD2 ARG A 330 69.257 101.924 24.450 1.00 31.86 H new ATOM 0 HD3 ARG A 330 70.713 101.427 24.196 1.00 31.86 H new ATOM 0 HE ARG A 330 69.979 101.668 21.855 1.00 28.66 H new ATOM 0 HH11 ARG A 330 69.433 103.962 24.210 1.00 27.41 H new ATOM 0 HH12 ARG A 330 69.332 105.112 23.269 1.00 27.41 H new ATOM 0 HH21 ARG A 330 69.700 103.406 20.493 1.00 31.65 H new ATOM 0 HH22 ARG A 330 69.492 104.773 21.047 1.00 31.65 H new ATOM 2592 N ASP A 331 67.798 96.951 24.632 1.00 31.04 N ATOM 2593 CA ASP A 331 67.643 96.124 25.846 1.00 35.20 C ATOM 2594 C ASP A 331 68.573 96.693 26.909 1.00 31.07 C ATOM 2595 O ASP A 331 69.814 96.523 26.783 1.00 31.03 O ATOM 2596 CB ASP A 331 67.797 94.638 25.507 1.00 41.10 C ATOM 2597 CG ASP A 331 66.460 94.031 25.080 1.00 50.39 C ATOM 2598 OD1 ASP A 331 65.445 94.308 25.754 1.00 54.95 O ATOM 2599 OD2 ASP A 331 66.419 93.322 24.058 1.00 59.31 O ATOM 0 H ASP A 331 68.513 96.777 24.187 1.00 31.04 H new ATOM 0 HA ASP A 331 66.750 96.164 26.223 1.00 35.20 H new ATOM 0 HB2 ASP A 331 68.447 94.531 24.795 1.00 41.10 H new ATOM 0 HB3 ASP A 331 68.141 94.161 26.278 1.00 41.10 H new ATOM 2600 N LEU A 332 68.029 97.374 27.930 1.00 25.67 N ATOM 2601 CA LEU A 332 68.894 97.932 28.998 1.00 24.74 C ATOM 2602 C LEU A 332 68.426 97.513 30.395 1.00 24.95 C ATOM 2603 O LEU A 332 67.256 97.124 30.528 1.00 28.66 O ATOM 2604 CB LEU A 332 68.935 99.470 28.922 1.00 25.77 C ATOM 2605 CG LEU A 332 69.469 100.117 27.632 1.00 22.89 C ATOM 2606 CD1 LEU A 332 69.230 101.627 27.670 1.00 24.42 C ATOM 2607 CD2 LEU A 332 70.963 99.827 27.475 1.00 25.83 C ATOM 0 H LEU A 332 67.188 97.523 28.026 1.00 25.67 H new ATOM 0 HA LEU A 332 69.783 97.572 28.851 1.00 24.74 H new ATOM 0 HB2 LEU A 332 68.034 99.799 29.068 1.00 25.77 H new ATOM 0 HB3 LEU A 332 69.477 99.789 29.661 1.00 25.77 H new ATOM 0 HG LEU A 332 68.997 99.740 26.873 1.00 22.89 H new ATOM 0 HD11 LEU A 332 69.569 102.029 26.855 1.00 24.42 H new ATOM 0 HD12 LEU A 332 68.279 101.802 27.746 1.00 24.42 H new ATOM 0 HD13 LEU A 332 69.691 102.009 28.434 1.00 24.42 H new ATOM 0 HD21 LEU A 332 71.289 100.239 26.660 1.00 25.83 H new ATOM 0 HD22 LEU A 332 71.445 100.190 28.235 1.00 25.83 H new ATOM 0 HD23 LEU A 332 71.104 98.868 27.431 1.00 25.83 H new ATOM 2608 N LEU A 333 69.293 97.690 31.372 1.00 27.22 N ATOM 2609 CA LEU A 333 68.950 97.455 32.811 1.00 31.65 C ATOM 2610 C LEU A 333 68.211 98.675 33.387 1.00 31.40 C ATOM 2611 O LEU A 333 68.380 99.799 32.872 1.00 27.45 O ATOM 2612 CB LEU A 333 70.231 97.182 33.611 1.00 33.26 C ATOM 2613 CG LEU A 333 71.068 95.981 33.153 1.00 39.44 C ATOM 2614 CD1 LEU A 333 72.345 95.872 33.982 1.00 41.10 C ATOM 2615 CD2 LEU A 333 70.274 94.683 33.221 1.00 41.51 C ATOM 0 H LEU A 333 70.103 97.949 31.245 1.00 27.22 H new ATOM 0 HA LEU A 333 68.367 96.683 32.876 1.00 31.65 H new ATOM 0 HB2 LEU A 333 70.789 97.975 33.575 1.00 33.26 H new ATOM 0 HB3 LEU A 333 69.988 97.048 34.541 1.00 33.26 H new ATOM 0 HG LEU A 333 71.309 96.128 32.225 1.00 39.44 H new ATOM 0 HD11 LEU A 333 72.863 95.109 33.681 1.00 41.10 H new ATOM 0 HD12 LEU A 333 72.870 96.681 33.876 1.00 41.10 H new ATOM 0 HD13 LEU A 333 72.115 95.757 34.917 1.00 41.10 H new ATOM 0 HD21 LEU A 333 70.832 93.946 32.925 1.00 41.51 H new ATOM 0 HD22 LEU A 333 69.989 94.526 34.135 1.00 41.51 H new ATOM 0 HD23 LEU A 333 69.495 94.749 32.646 1.00 41.51 H new ATOM 2616 N ILE A 334 67.476 98.510 34.498 1.00 31.11 N ATOM 2617 CA ILE A 334 66.811 99.644 35.219 1.00 29.97 C ATOM 2618 C ILE A 334 67.760 100.822 35.431 1.00 28.94 C ATOM 2619 O ILE A 334 67.421 101.992 35.068 1.00 27.66 O ATOM 2620 CB ILE A 334 66.174 99.184 36.572 1.00 34.92 C ATOM 2621 CG1 ILE A 334 64.931 98.330 36.349 1.00 39.63 C ATOM 2622 CG2 ILE A 334 65.847 100.406 37.434 1.00 37.11 C ATOM 2623 CD1 ILE A 334 64.262 97.818 37.621 1.00 44.43 C ATOM 0 H ILE A 334 67.342 97.743 34.863 1.00 31.11 H new ATOM 0 HA ILE A 334 66.090 99.950 34.646 1.00 29.97 H new ATOM 0 HB ILE A 334 66.821 98.631 37.038 1.00 34.92 H new ATOM 0 HG12 ILE A 334 64.284 98.850 35.847 1.00 39.63 H new ATOM 0 HG13 ILE A 334 65.173 97.569 35.798 1.00 39.63 H new ATOM 0 HG21 ILE A 334 65.453 100.115 38.271 1.00 37.11 H new ATOM 0 HG22 ILE A 334 66.661 100.902 37.615 1.00 37.11 H new ATOM 0 HG23 ILE A 334 65.220 100.976 36.962 1.00 37.11 H new ATOM 0 HD11 ILE A 334 63.484 97.287 37.387 1.00 44.43 H new ATOM 0 HD12 ILE A 334 64.889 97.270 38.119 1.00 44.43 H new ATOM 0 HD13 ILE A 334 63.987 98.571 38.167 1.00 44.43 H new ATOM 2624 N ASP A 335 68.962 100.630 35.971 1.00 26.36 N ATOM 2625 CA ASP A 335 69.862 101.764 36.264 1.00 30.10 C ATOM 2626 C ASP A 335 70.347 102.465 34.974 1.00 25.26 C ATOM 2627 O ASP A 335 70.758 103.640 35.049 1.00 27.59 O ATOM 2628 CB ASP A 335 71.014 101.302 37.154 1.00 34.72 C ATOM 2629 CG ASP A 335 70.725 101.374 38.647 1.00 46.06 C ATOM 2630 OD1 ASP A 335 69.681 101.999 39.057 1.00 46.41 O ATOM 2631 OD2 ASP A 335 71.542 100.792 39.399 1.00 53.68 O ATOM 0 H ASP A 335 69.281 99.858 36.177 1.00 26.36 H new ATOM 0 HA ASP A 335 69.363 102.436 36.754 1.00 30.10 H new ATOM 0 HB2 ASP A 335 71.239 100.387 36.923 1.00 34.72 H new ATOM 0 HB3 ASP A 335 71.795 101.844 36.961 1.00 34.72 H new ATOM 2632 N GLU A 336 70.365 101.758 33.834 1.00 24.88 N ATOM 2633 CA GLU A 336 70.800 102.361 32.535 1.00 23.38 C ATOM 2634 C GLU A 336 69.694 103.309 32.031 1.00 21.46 C ATOM 2635 O GLU A 336 70.032 104.411 31.559 1.00 22.66 O ATOM 2636 CB GLU A 336 71.188 101.219 31.558 1.00 23.89 C ATOM 2637 CG GLU A 336 72.530 100.576 31.981 1.00 25.46 C ATOM 2638 CD GLU A 336 72.943 99.328 31.212 1.00 25.53 C ATOM 2639 OE1 GLU A 336 72.052 98.544 30.732 1.00 26.64 O ATOM 2640 OE2 GLU A 336 74.163 99.168 31.083 1.00 27.38 O ATOM 0 H GLU A 336 70.133 100.932 33.780 1.00 24.88 H new ATOM 0 HA GLU A 336 71.595 102.910 32.628 1.00 23.38 H new ATOM 0 HB2 GLU A 336 70.490 100.545 31.546 1.00 23.89 H new ATOM 0 HB3 GLU A 336 71.261 101.568 30.656 1.00 23.89 H new ATOM 0 HG2 GLU A 336 73.231 101.240 31.886 1.00 25.46 H new ATOM 0 HG3 GLU A 336 72.478 100.352 32.923 1.00 25.46 H new ATOM 2641 N TRP A 337 68.453 102.840 32.050 1.00 22.63 N ATOM 2642 CA TRP A 337 67.257 103.675 31.706 1.00 24.12 C ATOM 2643 C TRP A 337 67.210 104.890 32.657 1.00 24.43 C ATOM 2644 O TRP A 337 66.918 106.039 32.232 1.00 23.92 O ATOM 2645 CB TRP A 337 65.964 102.852 31.784 1.00 23.61 C ATOM 2646 CG TRP A 337 65.730 101.884 30.668 1.00 24.15 C ATOM 2647 CD1 TRP A 337 65.609 100.532 30.796 1.00 23.47 C ATOM 2648 CD2 TRP A 337 65.625 102.167 29.258 1.00 22.39 C ATOM 2649 NE1 TRP A 337 65.443 99.954 29.568 1.00 23.73 N ATOM 2650 CE2 TRP A 337 65.502 100.929 28.595 1.00 23.19 C ATOM 2651 CE3 TRP A 337 65.777 103.326 28.477 1.00 25.02 C ATOM 2652 CZ2 TRP A 337 65.387 100.820 27.218 1.00 24.20 C ATOM 2653 CZ3 TRP A 337 65.673 103.238 27.102 1.00 22.54 C ATOM 2654 CH2 TRP A 337 65.499 101.985 26.469 1.00 23.98 C ATOM 0 H TRP A 337 68.259 102.029 32.261 1.00 22.63 H new ATOM 0 HA TRP A 337 67.333 103.988 30.791 1.00 24.12 H new ATOM 0 HB2 TRP A 337 65.966 102.359 32.620 1.00 23.61 H new ATOM 0 HB3 TRP A 337 65.213 103.466 31.818 1.00 23.61 H new ATOM 0 HD1 TRP A 337 65.636 100.070 31.602 1.00 23.47 H new ATOM 0 HE1 TRP A 337 65.321 99.115 29.425 1.00 23.73 H new ATOM 0 HE3 TRP A 337 65.946 104.146 28.883 1.00 25.02 H new ATOM 0 HZ2 TRP A 337 65.240 99.997 26.810 1.00 24.20 H new ATOM 0 HZ3 TRP A 337 65.718 104.011 26.587 1.00 22.54 H new ATOM 0 HH2 TRP A 337 65.459 101.940 25.541 1.00 23.98 H new ATOM 2655 N LYS A 338 67.464 104.633 33.942 1.00 25.23 N ATOM 2656 CA LYS A 338 67.470 105.722 34.960 1.00 26.33 C ATOM 2657 C LYS A 338 68.545 106.758 34.652 1.00 25.77 C ATOM 2658 O LYS A 338 68.261 107.975 34.664 1.00 23.27 O ATOM 2659 CB LYS A 338 67.606 105.093 36.358 1.00 28.47 C ATOM 2660 CG LYS A 338 67.573 106.100 37.496 1.00 34.07 C ATOM 2661 CD LYS A 338 67.387 105.348 38.817 1.00 33.82 C ATOM 2662 CE LYS A 338 67.719 106.215 39.991 1.00 38.01 C ATOM 2663 NZ LYS A 338 67.483 105.503 41.286 1.00 37.79 N ATOM 0 H LYS A 338 67.634 103.850 34.254 1.00 25.23 H new ATOM 0 HA LYS A 338 66.632 106.210 34.935 1.00 26.33 H new ATOM 0 HB2 LYS A 338 66.889 104.452 36.485 1.00 28.47 H new ATOM 0 HB3 LYS A 338 68.439 104.599 36.400 1.00 28.47 H new ATOM 0 HG2 LYS A 338 68.396 106.613 37.515 1.00 34.07 H new ATOM 0 HG3 LYS A 338 66.849 106.732 37.364 1.00 34.07 H new ATOM 0 HD2 LYS A 338 66.470 105.040 38.889 1.00 33.82 H new ATOM 0 HD3 LYS A 338 67.952 104.560 38.825 1.00 33.82 H new ATOM 0 HE2 LYS A 338 68.647 106.492 39.938 1.00 38.01 H new ATOM 0 HE3 LYS A 338 67.180 107.021 39.961 1.00 38.01 H new ATOM 0 HZ1 LYS A 338 67.274 106.095 41.917 1.00 37.79 H new ATOM 0 HZ2 LYS A 338 66.813 104.925 41.189 1.00 37.79 H new ATOM 0 HZ3 LYS A 338 68.221 105.065 41.523 1.00 37.79 H new ATOM 2664 N SER A 339 69.800 106.378 34.301 1.00 21.46 N ATOM 2665 CA SER A 339 70.869 107.318 33.906 1.00 24.08 C ATOM 2666 C SER A 339 70.475 108.088 32.634 1.00 24.43 C ATOM 2667 O SER A 339 70.746 109.301 32.546 1.00 24.82 O ATOM 2668 CB SER A 339 72.195 106.549 33.770 1.00 24.21 C ATOM 2669 OG SER A 339 73.261 107.419 33.453 1.00 27.14 O ATOM 0 H SER A 339 70.050 105.555 34.288 1.00 21.46 H new ATOM 0 HA SER A 339 70.994 107.992 34.593 1.00 24.08 H new ATOM 0 HB2 SER A 339 72.389 106.085 34.599 1.00 24.21 H new ATOM 0 HB3 SER A 339 72.110 105.873 33.080 1.00 24.21 H new ATOM 0 HG SER A 339 73.286 107.541 32.622 1.00 27.14 H new ATOM 2670 N LEU A 340 69.922 107.430 31.607 1.00 21.99 N ATOM 2671 CA LEU A 340 69.479 108.126 30.382 1.00 22.12 C ATOM 2672 C LEU A 340 68.436 109.208 30.754 1.00 19.80 C ATOM 2673 O LEU A 340 68.480 110.333 30.170 1.00 21.59 O ATOM 2674 CB LEU A 340 68.893 107.147 29.347 1.00 22.72 C ATOM 2675 CG LEU A 340 69.895 106.287 28.568 1.00 24.23 C ATOM 2676 CD1 LEU A 340 69.194 105.306 27.670 1.00 26.23 C ATOM 2677 CD2 LEU A 340 70.842 107.137 27.731 1.00 28.35 C ATOM 0 H LEU A 340 69.793 106.580 31.597 1.00 21.99 H new ATOM 0 HA LEU A 340 70.253 108.545 29.974 1.00 22.12 H new ATOM 0 HB2 LEU A 340 68.278 106.554 29.806 1.00 22.72 H new ATOM 0 HB3 LEU A 340 68.372 107.658 28.708 1.00 22.72 H new ATOM 0 HG LEU A 340 70.412 105.803 29.231 1.00 24.23 H new ATOM 0 HD11 LEU A 340 69.852 104.778 27.192 1.00 26.23 H new ATOM 0 HD12 LEU A 340 68.636 104.720 28.204 1.00 26.23 H new ATOM 0 HD13 LEU A 340 68.642 105.787 27.034 1.00 26.23 H new ATOM 0 HD21 LEU A 340 71.459 106.560 27.254 1.00 28.35 H new ATOM 0 HD22 LEU A 340 70.330 107.660 27.094 1.00 28.35 H new ATOM 0 HD23 LEU A 340 71.340 107.733 28.311 1.00 28.35 H new ATOM 2678 N THR A 341 67.522 108.873 31.635 1.00 21.68 N ATOM 2679 CA THR A 341 66.452 109.833 32.052 1.00 20.55 C ATOM 2680 C THR A 341 67.085 111.019 32.777 1.00 21.61 C ATOM 2681 O THR A 341 66.757 112.163 32.510 1.00 21.12 O ATOM 2682 CB THR A 341 65.373 109.116 32.878 1.00 20.06 C ATOM 2683 OG1 THR A 341 64.735 108.019 32.197 1.00 23.28 O ATOM 2684 CG2 THR A 341 64.278 110.066 33.321 1.00 20.96 C ATOM 0 H THR A 341 67.480 108.104 32.018 1.00 21.68 H new ATOM 0 HA THR A 341 65.998 110.186 31.271 1.00 20.55 H new ATOM 0 HB THR A 341 65.863 108.765 33.638 1.00 20.06 H new ATOM 0 HG1 THR A 341 65.271 107.374 32.141 1.00 23.28 H new ATOM 0 HG21 THR A 341 63.617 109.580 33.838 1.00 20.96 H new ATOM 0 HG22 THR A 341 64.661 110.770 33.867 1.00 20.96 H new ATOM 0 HG23 THR A 341 63.854 110.457 32.541 1.00 20.96 H new ATOM 2685 N TYR A 342 67.980 110.744 33.720 1.00 21.61 N ATOM 2686 CA TYR A 342 68.712 111.802 34.460 1.00 22.08 C ATOM 2687 C TYR A 342 69.384 112.769 33.492 1.00 21.51 C ATOM 2688 O TYR A 342 69.249 113.996 33.648 1.00 24.25 O ATOM 2689 CB TYR A 342 69.711 111.193 35.443 1.00 24.04 C ATOM 2690 CG TYR A 342 70.389 112.193 36.344 1.00 25.16 C ATOM 2691 CD1 TYR A 342 69.670 112.829 37.365 1.00 28.16 C ATOM 2692 CD2 TYR A 342 71.731 112.507 36.209 1.00 26.43 C ATOM 2693 CE1 TYR A 342 70.272 113.769 38.190 1.00 29.29 C ATOM 2694 CE2 TYR A 342 72.353 113.432 37.042 1.00 28.46 C ATOM 2695 CZ TYR A 342 71.616 114.061 38.035 1.00 28.23 C ATOM 2696 OH TYR A 342 72.229 114.961 38.883 1.00 29.77 O ATOM 0 H TYR A 342 68.188 109.944 33.957 1.00 21.61 H new ATOM 0 HA TYR A 342 68.072 112.310 34.982 1.00 22.08 H new ATOM 0 HB2 TYR A 342 69.250 110.540 35.992 1.00 24.04 H new ATOM 0 HB3 TYR A 342 70.389 110.714 34.942 1.00 24.04 H new ATOM 0 HD1 TYR A 342 68.773 112.617 37.492 1.00 28.16 H new ATOM 0 HD2 TYR A 342 72.229 112.089 35.544 1.00 26.43 H new ATOM 0 HE1 TYR A 342 69.774 114.202 38.845 1.00 29.29 H new ATOM 0 HE2 TYR A 342 73.256 113.627 36.934 1.00 28.46 H new ATOM 0 HH TYR A 342 73.039 115.038 38.673 1.00 29.77 H new ATOM 2697 N ASP A 343 70.140 112.280 32.466 1.00 21.54 N ATOM 2698 CA ASP A 343 70.781 113.153 31.472 1.00 22.37 C ATOM 2699 C ASP A 343 69.742 114.048 30.776 1.00 22.88 C ATOM 2700 O ASP A 343 70.061 115.216 30.555 1.00 22.42 O ATOM 2701 CB ASP A 343 71.518 112.360 30.373 1.00 27.04 C ATOM 2702 CG ASP A 343 72.707 111.519 30.858 1.00 33.43 C ATOM 2703 OD1 ASP A 343 73.234 111.833 31.917 1.00 35.35 O ATOM 2704 OD2 ASP A 343 73.015 110.462 30.163 1.00 44.30 O ATOM 0 H ASP A 343 70.285 111.442 32.341 1.00 21.54 H new ATOM 0 HA ASP A 343 71.423 113.686 31.967 1.00 22.37 H new ATOM 0 HB2 ASP A 343 70.882 111.772 29.937 1.00 27.04 H new ATOM 0 HB3 ASP A 343 71.835 112.984 29.701 1.00 27.04 H new ATOM 2705 N GLU A 344 68.563 113.512 30.409 1.00 21.48 N ATOM 2706 CA GLU A 344 67.501 114.296 29.724 1.00 19.50 C ATOM 2707 C GLU A 344 66.909 115.374 30.688 1.00 19.78 C ATOM 2708 O GLU A 344 66.548 116.475 30.193 1.00 22.61 O ATOM 2709 CB GLU A 344 66.384 113.417 29.147 1.00 20.35 C ATOM 2710 CG GLU A 344 66.837 112.543 27.970 1.00 21.94 C ATOM 2711 CD GLU A 344 67.152 113.338 26.739 1.00 21.73 C ATOM 2712 OE1 GLU A 344 66.523 114.400 26.475 1.00 21.48 O ATOM 2713 OE2 GLU A 344 67.961 112.790 25.918 1.00 25.93 O ATOM 0 H GLU A 344 68.354 112.689 30.547 1.00 21.48 H new ATOM 0 HA GLU A 344 67.923 114.737 28.970 1.00 19.50 H new ATOM 0 HB2 GLU A 344 66.037 112.846 29.850 1.00 20.35 H new ATOM 0 HB3 GLU A 344 65.653 113.985 28.856 1.00 20.35 H new ATOM 0 HG2 GLU A 344 67.622 112.037 28.232 1.00 21.94 H new ATOM 0 HG3 GLU A 344 66.141 111.900 27.764 1.00 21.94 H new ATOM 2714 N VAL A 345 66.827 115.089 31.987 1.00 21.92 N ATOM 2715 CA VAL A 345 66.356 116.128 32.973 1.00 22.82 C ATOM 2716 C VAL A 345 67.378 117.275 33.034 1.00 24.00 C ATOM 2717 O VAL A 345 66.959 118.450 32.910 1.00 24.37 O ATOM 2718 CB VAL A 345 66.116 115.496 34.355 1.00 22.01 C ATOM 2719 CG1 VAL A 345 65.801 116.585 35.417 1.00 23.32 C ATOM 2720 CG2 VAL A 345 65.019 114.449 34.341 1.00 21.69 C ATOM 0 H VAL A 345 67.029 114.327 32.332 1.00 21.92 H new ATOM 0 HA VAL A 345 65.507 116.494 32.679 1.00 22.82 H new ATOM 0 HB VAL A 345 66.941 115.045 34.595 1.00 22.01 H new ATOM 0 HG11 VAL A 345 65.654 116.164 36.278 1.00 23.32 H new ATOM 0 HG12 VAL A 345 66.548 117.200 35.482 1.00 23.32 H new ATOM 0 HG13 VAL A 345 65.004 117.072 35.155 1.00 23.32 H new ATOM 0 HG21 VAL A 345 64.909 114.084 35.233 1.00 21.69 H new ATOM 0 HG22 VAL A 345 64.187 114.856 34.053 1.00 21.69 H new ATOM 0 HG23 VAL A 345 65.259 113.737 33.728 1.00 21.69 H new ATOM 2721 N ILE A 346 68.663 116.966 33.193 1.00 25.55 N ATOM 2722 CA ILE A 346 69.685 118.030 33.404 1.00 29.32 C ATOM 2723 C ILE A 346 69.988 118.816 32.119 1.00 29.47 C ATOM 2724 O ILE A 346 70.374 119.995 32.254 1.00 30.90 O ATOM 2725 CB ILE A 346 70.941 117.471 34.103 1.00 35.85 C ATOM 2726 CG1 ILE A 346 71.773 116.592 33.186 1.00 40.18 C ATOM 2727 CG2 ILE A 346 70.561 116.784 35.402 1.00 36.90 C ATOM 2728 CD1 ILE A 346 72.940 115.922 33.889 1.00 50.65 C ATOM 0 H ILE A 346 68.974 116.164 33.185 1.00 25.55 H new ATOM 0 HA ILE A 346 69.307 118.685 34.012 1.00 29.32 H new ATOM 0 HB ILE A 346 71.518 118.218 34.328 1.00 35.85 H new ATOM 0 HG12 ILE A 346 71.203 115.910 32.798 1.00 40.18 H new ATOM 0 HG13 ILE A 346 72.111 117.130 32.453 1.00 40.18 H new ATOM 0 HG21 ILE A 346 71.359 116.438 35.831 1.00 36.90 H new ATOM 0 HG22 ILE A 346 70.129 117.422 35.991 1.00 36.90 H new ATOM 0 HG23 ILE A 346 69.952 116.053 35.215 1.00 36.90 H new ATOM 0 HD11 ILE A 346 73.431 115.377 33.254 1.00 50.65 H new ATOM 0 HD12 ILE A 346 73.529 116.600 34.256 1.00 50.65 H new ATOM 0 HD13 ILE A 346 72.607 115.361 34.607 1.00 50.65 H new ATOM 2729 N SER A 347 69.689 118.302 30.916 1.00 25.28 N ATOM 2730 CA SER A 347 69.973 118.980 29.628 1.00 26.59 C ATOM 2731 C SER A 347 68.781 119.830 29.163 1.00 24.59 C ATOM 2732 O SER A 347 68.891 120.527 28.135 1.00 26.49 O ATOM 2733 CB SER A 347 70.406 117.955 28.572 1.00 27.98 C ATOM 2734 OG SER A 347 69.323 117.095 28.253 1.00 27.32 O ATOM 0 H SER A 347 69.309 117.537 30.820 1.00 25.28 H new ATOM 0 HA SER A 347 70.711 119.596 29.760 1.00 26.59 H new ATOM 0 HB2 SER A 347 70.711 118.413 27.773 1.00 27.98 H new ATOM 0 HB3 SER A 347 71.154 117.435 28.904 1.00 27.98 H new ATOM 0 HG SER A 347 69.312 116.448 28.788 1.00 27.32 H new ATOM 2735 N PHE A 348 67.646 119.783 29.879 1.00 24.10 N ATOM 2736 CA PHE A 348 66.434 120.529 29.471 1.00 23.27 C ATOM 2737 C PHE A 348 66.747 122.018 29.360 1.00 24.17 C ATOM 2738 O PHE A 348 67.309 122.607 30.317 1.00 25.62 O ATOM 2739 CB PHE A 348 65.278 120.286 30.455 1.00 23.41 C ATOM 2740 CG PHE A 348 64.039 121.074 30.104 1.00 21.41 C ATOM 2741 CD1 PHE A 348 63.209 120.684 29.051 1.00 20.93 C ATOM 2742 CD2 PHE A 348 63.662 122.210 30.798 1.00 21.49 C ATOM 2743 CE1 PHE A 348 62.078 121.414 28.709 1.00 22.48 C ATOM 2744 CE2 PHE A 348 62.536 122.938 30.442 1.00 22.26 C ATOM 2745 CZ PHE A 348 61.740 122.546 29.405 1.00 21.96 C ATOM 0 H PHE A 348 67.555 119.327 30.602 1.00 24.10 H new ATOM 0 HA PHE A 348 66.153 120.205 28.601 1.00 23.27 H new ATOM 0 HB2 PHE A 348 65.063 119.340 30.468 1.00 23.41 H new ATOM 0 HB3 PHE A 348 65.565 120.524 31.351 1.00 23.41 H new ATOM 0 HD1 PHE A 348 63.418 119.918 28.567 1.00 20.93 H new ATOM 0 HD2 PHE A 348 64.176 122.492 31.520 1.00 21.49 H new ATOM 0 HE1 PHE A 348 61.545 121.132 28.001 1.00 22.48 H new ATOM 0 HE2 PHE A 348 62.320 123.707 30.918 1.00 22.26 H new ATOM 0 HZ PHE A 348 60.984 123.036 29.175 1.00 21.96 H new ATOM 2746 N VAL A 349 66.319 122.628 28.252 1.00 25.03 N ATOM 2747 CA VAL A 349 66.336 124.104 28.049 1.00 29.15 C ATOM 2748 C VAL A 349 64.899 124.565 27.873 1.00 26.44 C ATOM 2749 O VAL A 349 64.158 124.108 26.985 1.00 26.79 O ATOM 2750 CB VAL A 349 67.211 124.480 26.846 1.00 32.03 C ATOM 2751 CG1 VAL A 349 67.167 125.968 26.548 1.00 32.26 C ATOM 2752 CG2 VAL A 349 68.643 124.020 27.037 1.00 38.89 C ATOM 0 H VAL A 349 66.003 122.197 27.578 1.00 25.03 H new ATOM 0 HA VAL A 349 66.726 124.549 28.818 1.00 29.15 H new ATOM 0 HB VAL A 349 66.840 124.016 26.079 1.00 32.03 H new ATOM 0 HG11 VAL A 349 67.732 126.162 25.783 1.00 32.26 H new ATOM 0 HG12 VAL A 349 66.255 126.232 26.351 1.00 32.26 H new ATOM 0 HG13 VAL A 349 67.487 126.462 27.319 1.00 32.26 H new ATOM 0 HG21 VAL A 349 69.170 124.271 26.262 1.00 38.89 H new ATOM 0 HG22 VAL A 349 69.014 124.438 27.830 1.00 38.89 H new ATOM 0 HG23 VAL A 349 68.662 123.056 27.141 1.00 38.89 H new ATOM 2753 N PRO A 350 64.457 125.544 28.680 1.00 31.02 N ATOM 2754 CA PRO A 350 63.079 125.997 28.590 1.00 29.36 C ATOM 2755 C PRO A 350 62.802 126.767 27.324 1.00 31.70 C ATOM 2756 O PRO A 350 63.709 127.285 26.665 1.00 31.40 O ATOM 2757 CB PRO A 350 62.891 126.894 29.825 1.00 34.89 C ATOM 2758 CG PRO A 350 64.259 127.381 30.096 1.00 28.89 C ATOM 2759 CD PRO A 350 65.189 126.220 29.759 1.00 32.27 C ATOM 0 HA PRO A 350 62.464 125.247 28.566 1.00 29.36 H new ATOM 0 HB2 PRO A 350 62.278 127.625 29.648 1.00 34.89 H new ATOM 0 HB3 PRO A 350 62.531 126.398 30.577 1.00 34.89 H new ATOM 0 HG2 PRO A 350 64.465 128.160 29.555 1.00 28.89 H new ATOM 0 HG3 PRO A 350 64.356 127.647 31.024 1.00 28.89 H new ATOM 0 HD2 PRO A 350 66.062 126.527 29.468 1.00 32.27 H new ATOM 0 HD3 PRO A 350 65.332 125.637 30.521 1.00 32.27 H new ATOM 2760 N PRO A 351 61.523 126.832 26.951 1.00 32.46 N ATOM 2761 CA PRO A 351 61.126 127.559 25.754 1.00 34.73 C ATOM 2762 C PRO A 351 61.397 129.055 25.951 1.00 40.06 C ATOM 2763 O PRO A 351 61.471 129.520 27.089 1.00 38.89 O ATOM 2764 CB PRO A 351 59.624 127.255 25.617 1.00 38.45 C ATOM 2765 CG PRO A 351 59.168 126.680 26.952 1.00 35.89 C ATOM 2766 CD PRO A 351 60.400 126.210 27.689 1.00 33.73 C ATOM 0 HA PRO A 351 61.614 127.301 24.956 1.00 34.73 H new ATOM 0 HB2 PRO A 351 59.128 128.060 25.402 1.00 38.45 H new ATOM 0 HB3 PRO A 351 59.465 126.624 24.898 1.00 38.45 H new ATOM 0 HG2 PRO A 351 58.696 127.351 27.469 1.00 35.89 H new ATOM 0 HG3 PRO A 351 58.552 125.944 26.814 1.00 35.89 H new ATOM 0 HD2 PRO A 351 60.387 126.491 28.617 1.00 33.73 H new ATOM 0 HD3 PRO A 351 60.467 125.242 27.687 1.00 33.73 H new ATOM 2767 N PRO A 352 61.592 129.820 24.854 1.00 47.73 N ATOM 2768 CA PRO A 352 61.690 131.289 24.886 1.00 57.26 C ATOM 2769 C PRO A 352 60.819 132.081 25.876 1.00 59.60 C ATOM 2770 O PRO A 352 59.593 131.921 25.906 1.00 63.95 O ATOM 2771 CB PRO A 352 61.170 131.637 23.485 1.00 59.64 C ATOM 2772 CG PRO A 352 61.669 130.501 22.596 1.00 59.78 C ATOM 2773 CD PRO A 352 61.789 129.287 23.496 1.00 53.41 C ATOM 0 HA PRO A 352 62.591 131.526 25.156 1.00 57.26 H new ATOM 0 HB2 PRO A 352 60.202 131.695 23.473 1.00 59.64 H new ATOM 0 HB3 PRO A 352 61.510 132.495 23.186 1.00 59.64 H new ATOM 0 HG2 PRO A 352 61.051 130.333 21.867 1.00 59.78 H new ATOM 0 HG3 PRO A 352 62.525 130.723 22.197 1.00 59.78 H new ATOM 0 HD2 PRO A 352 61.122 128.618 23.278 1.00 53.41 H new ATOM 0 HD3 PRO A 352 62.657 128.863 23.405 1.00 53.41 H new TER 2774 PRO A 352 HETATM 2775 N1 SVG A 401 42.645 131.517 11.459 0.48 40.14 N HETATM 2776 C4 SVG A 401 36.774 131.101 16.489 0.48 31.53 C HETATM 2777 C5 SVG A 401 35.581 130.456 16.291 0.48 32.21 C HETATM 2778 C6 SVG A 401 39.041 131.786 15.697 0.48 30.83 C HETATM 2779 C7 SVG A 401 39.511 131.990 16.941 0.48 29.86 C HETATM 2780 C8 SVG A 401 41.086 132.788 14.632 0.48 35.29 C HETATM 2781 C10 SVG A 401 41.974 134.017 12.604 0.48 40.24 C HETATM 2782 C13 SVG A 401 42.096 131.604 12.699 0.48 37.93 C HETATM 2783 N SVG A 401 39.738 132.236 14.562 0.48 34.39 N HETATM 2784 C SVG A 401 35.369 129.831 15.078 0.48 34.81 C HETATM 2785 C1 SVG A 401 36.279 129.798 14.060 0.48 32.26 C HETATM 2786 C11 SVG A 401 42.537 133.957 11.321 0.48 42.14 C HETATM 2787 C12 SVG A 401 42.851 132.691 10.782 0.48 41.21 C HETATM 2788 C2 SVG A 401 37.497 130.441 14.249 0.48 30.13 C HETATM 2789 C3 SVG A 401 37.754 131.103 15.469 0.48 30.41 C HETATM 2790 C9 SVG A 401 41.739 132.826 13.300 0.48 38.65 C HETATM 2791 CL SVG A 401 33.865 129.100 14.827 0.48 43.08 CL HETATM 2792 CL CL A 402 62.756 128.994 41.946 1.00 45.19 CL HETATM 2793 CL CL A 403 64.902 112.668 43.834 1.00 39.02 CL HETATM 2794 CL CL A 404 51.759 123.986 25.255 1.00 47.76 CL HETATM 2795 CL CL A 405 66.049 112.870 18.204 1.00 38.66 CL HETATM 2796 CL CL A 406 36.616 110.769 25.572 1.00 30.00 CL HETATM 2797 MG MG A 407 43.571 111.653 28.874 1.00 34.05 MG HETATM 2798 S SO4 A 408 25.584 109.299 22.821 1.00 58.91 S HETATM 2799 O1 SO4 A 408 26.875 109.937 22.846 1.00 50.58 O HETATM 2800 O2 SO4 A 408 25.271 108.911 21.478 1.00 59.88 O HETATM 2801 O3 SO4 A 408 25.557 108.109 23.631 1.00 70.04 O HETATM 2802 O4 SO4 A 408 24.582 110.297 23.354 1.00 41.68 O HETATM 2803 S DMS A 409 65.128 118.104 21.903 1.00 94.98 S HETATM 2804 O DMS A 409 64.293 116.908 22.276 1.00 92.91 O HETATM 2805 C1 DMS A 409 64.026 119.493 21.802 1.00 82.57 C HETATM 2806 C2 DMS A 409 65.996 118.567 23.377 1.00 85.56 C HETATM 0 H23 DMS A 409 66.689 119.209 23.156 1.00 85.56 H new HETATM 0 H22 DMS A 409 65.375 118.966 24.007 1.00 85.56 H new HETATM 0 H21 DMS A 409 66.399 117.780 23.776 1.00 85.56 H new HETATM 0 H13 DMS A 409 64.505 120.262 21.456 1.00 82.57 H new HETATM 0 H12 DMS A 409 63.289 119.279 21.209 1.00 82.57 H new HETATM 0 H11 DMS A 409 63.681 119.698 22.685 1.00 82.57 H new HETATM 2807 O HOH A 501 43.182 104.899 18.889 1.00 31.24 O HETATM 2808 O HOH A 502 27.401 106.857 24.226 1.00 36.84 O HETATM 2809 O HOH A 503 24.076 100.643 12.923 1.00 32.72 O HETATM 2810 O HOH A 504 59.232 108.797 22.699 1.00 31.90 O HETATM 2811 O HOH A 505 55.420 109.516 8.995 1.00 28.50 O HETATM 2812 O HOH A 506 24.019 106.944 20.684 1.00 33.72 O HETATM 2813 O HOH A 507 37.838 102.215 30.452 1.00 50.16 O HETATM 2814 O HOH A 508 45.855 96.648 -1.811 1.00 33.65 O HETATM 2815 O HOH A 509 61.880 115.029 47.838 1.00 36.74 O HETATM 2816 O HOH A 510 63.638 97.247 25.682 1.00 39.98 O HETATM 2817 O HOH A 511 27.448 108.737 0.398 1.00 24.54 O HETATM 2818 O HOH A 512 72.609 96.230 29.833 1.00 39.17 O HETATM 2819 O HOH A 513 49.024 93.454 6.688 1.00 38.97 O HETATM 2820 O HOH A 514 73.654 108.065 30.755 1.00 37.11 O HETATM 2821 O HOH A 515 58.215 120.640 24.429 1.00 21.73 O HETATM 2822 O HOH A 516 62.285 123.227 25.425 1.00 34.37 O HETATM 2823 O HOH A 517 33.895 101.833 2.799 1.00 30.55 O HETATM 2824 O HOH A 518 41.537 105.200 25.501 1.00 36.07 O HETATM 2825 O HOH A 519 67.239 130.453 48.599 1.00 44.91 O HETATM 2826 O HOH A 520 69.031 110.347 25.939 1.00 26.81 O HETATM 2827 O HOH A 521 63.493 125.640 51.213 1.00 36.85 O HETATM 2828 O HOH A 522 60.371 114.550 45.624 1.00 28.76 O HETATM 2829 O HOH A 523 56.946 137.371 38.548 1.00 20.56 O HETATM 2830 O HOH A 524 25.406 93.358 19.285 1.00 36.80 O HETATM 2831 O HOH A 525 41.195 97.273 -0.065 1.00 36.59 O HETATM 2832 O HOH A 526 29.616 123.092 0.794 1.00 32.78 O HETATM 2833 O HOH A 527 50.148 110.134 28.044 1.00 38.15 O HETATM 2834 O HOH A 528 61.610 119.406 18.286 1.00 24.41 O HETATM 2835 O HOH A 529 65.743 115.228 24.076 1.00 33.98 O HETATM 2836 O HOH A 530 22.570 115.096 3.871 1.00 32.36 O HETATM 2837 O HOH A 531 52.520 123.075 28.146 1.00 38.48 O HETATM 2838 O HOH A 532 34.314 81.893 8.070 1.00 41.91 O HETATM 2839 O HOH A 533 60.691 108.653 14.863 1.00 27.49 O HETATM 2840 O HOH A 534 66.337 116.379 15.406 1.00 29.02 O HETATM 2841 O HOH A 535 54.343 121.895 21.690 1.00 22.11 O HETATM 2842 O HOH A 536 49.097 111.412 8.334 1.00 18.22 O HETATM 2843 O HOH A 537 59.813 136.526 35.736 1.00 34.78 O HETATM 2844 O HOH A 538 59.893 122.360 25.718 1.00 30.43 O HETATM 2845 O HOH A 539 28.801 95.723 27.851 1.00 33.90 O HETATM 2846 O HOH A 540 71.713 104.945 37.208 1.00 39.91 O HETATM 2847 O HOH A 541 32.367 89.635 6.027 1.00 31.53 O HETATM 2848 O HOH A 542 75.411 105.886 34.023 1.00 45.34 O HETATM 2849 O HOH A 543 55.390 107.517 31.768 1.00 47.40 O HETATM 2850 O HOH A 544 23.663 91.229 4.726 1.00 36.54 O HETATM 2851 O HOH A 545 42.098 123.335 2.307 1.00 23.66 O HETATM 2852 O HOH A 546 60.182 120.053 16.026 1.00 20.94 O HETATM 2853 O HOH A 547 64.794 130.785 50.071 1.00 31.20 O HETATM 2854 O HOH A 548 43.557 116.635 -0.588 1.00 35.96 O HETATM 2855 O HOH A 549 46.511 105.907 4.439 1.00 21.27 O HETATM 2856 O HOH A 550 52.805 108.016 21.391 1.00 33.59 O HETATM 2857 O HOH A 551 70.865 106.885 18.185 1.00 26.99 O HETATM 2858 O HOH A 552 24.832 116.581 2.898 1.00 31.51 O HETATM 2859 O HOH A 553 31.004 110.133 23.325 1.00 34.31 O HETATM 2860 O HOH A 554 27.055 103.028 15.033 1.00 24.56 O HETATM 2861 O HOH A 555 58.752 110.837 40.817 1.00 30.54 O HETATM 2862 O HOH A 556 46.976 108.235 26.359 1.00 30.00 O HETATM 2863 O HOH A 557 70.643 117.217 39.681 1.00 33.13 O HETATM 2864 O HOH A 558 72.213 110.263 27.553 1.00 38.21 O HETATM 2865 O HOH A 559 58.671 106.566 21.415 1.00 31.22 O HETATM 2866 O HOH A 560 36.075 102.982 16.229 1.00 16.73 O HETATM 2867 O HOH A 561 45.980 92.357 -0.412 1.00 39.93 O HETATM 2868 O HOH A 562 55.389 111.080 48.711 1.00 52.54 O HETATM 2869 O HOH A 563 25.433 96.091 16.704 1.00 39.20 O HETATM 2870 O HOH A 564 25.440 98.284 5.253 1.00 24.53 O HETATM 2871 O HOH A 565 41.581 97.888 9.045 1.00 35.65 O HETATM 2872 O HOH A 566 64.721 122.613 35.028 1.00 38.26 O HETATM 2873 O HOH A 567 56.352 105.004 14.819 1.00 42.85 O HETATM 2874 O HOH A 568 62.895 124.530 37.788 1.00 26.48 O HETATM 2875 O HOH A 569 58.225 123.105 13.332 1.00 26.04 O HETATM 2876 O HOH A 570 75.752 97.358 29.757 1.00 27.72 O HETATM 2877 O HOH A 571 51.694 124.406 22.421 1.00 34.94 O HETATM 2878 O HOH A 572 55.128 106.790 36.556 1.00 44.39 O HETATM 2879 O HOH A 573 32.354 91.953 1.668 1.00 25.46 O HETATM 2880 O HOH A 574 30.170 101.343 30.996 1.00 31.37 O HETATM 2881 O HOH A 575 52.614 128.363 47.977 1.00 36.11 O HETATM 2882 O HOH A 576 33.891 110.574 -1.162 1.00 37.96 O HETATM 2883 O HOH A 577 52.121 112.349 28.766 1.00 37.49 O HETATM 2884 O HOH A 578 59.124 99.396 22.311 1.00 46.04 O HETATM 2885 O HOH A 579 58.805 127.410 31.388 1.00 35.34 O HETATM 2886 O HOH A 580 34.987 125.256 2.221 1.00 38.59 O HETATM 2887 O HOH A 581 42.818 113.628 29.307 1.00 33.68 O HETATM 2888 O HOH A 582 22.464 115.868 18.990 1.00 38.10 O HETATM 2889 O HOH A 583 57.877 100.382 28.724 1.00 40.46 O HETATM 2890 O HOH A 584 68.693 106.946 23.513 1.00 29.22 O HETATM 2891 O HOH A 585 25.720 100.169 20.787 1.00 25.86 O HETATM 2892 O HOH A 586 63.610 114.057 22.780 1.00 22.43 O HETATM 2893 O HOH A 587 26.136 88.083 9.607 1.00 40.05 O HETATM 2894 O HOH A 588 48.371 101.420 6.071 1.00 30.65 O HETATM 2895 O HOH A 589 26.722 91.099 8.609 1.00 34.35 O HETATM 2896 O HOH A 590 50.586 121.374 4.433 1.00 25.98 O HETATM 2897 O HOH A 591 49.449 96.537 3.202 1.00 34.85 O HETATM 2898 O HOH A 592 27.866 100.542 -1.296 1.00 27.02 O HETATM 2899 O HOH A 593 51.554 121.674 11.079 1.00 20.53 O HETATM 2900 O HOH A 594 27.979 120.645 8.451 1.00 28.39 O HETATM 2901 O HOH A 595 63.600 125.230 33.110 1.00 42.04 O HETATM 2902 O HOH A 596 47.389 127.961 9.740 1.00 36.92 O HETATM 2903 O HOH A 597 41.488 95.515 23.192 1.00 47.22 O HETATM 2904 O HOH A 598 43.938 122.953 -1.460 1.00 36.23 O HETATM 2905 O HOH A 599 45.435 97.406 5.383 1.00 29.30 O HETATM 2906 O HOH A 600 34.026 110.797 24.515 1.00 33.80 O HETATM 2907 O HOH A 601 56.433 106.612 34.367 1.00 35.40 O HETATM 2908 O HOH A 602 40.540 108.008 1.187 1.00 22.73 O HETATM 2909 O HOH A 603 52.544 122.776 3.050 1.00 33.30 O HETATM 2910 O HOH A 604 44.348 107.709 17.843 1.00 19.55 O HETATM 2911 O HOH A 605 49.476 119.710 2.726 1.00 26.82 O HETATM 2912 O HOH A 606 58.973 111.045 47.109 1.00 45.79 O HETATM 2913 O HOH A 607 26.570 101.915 12.438 1.00 23.17 O HETATM 2914 O HOH A 608 38.826 92.930 -2.824 1.00 47.25 O HETATM 2915 O HOH A 609 64.478 119.232 17.988 1.00 35.56 O HETATM 2916 O HOH A 610 48.382 120.020 31.179 1.00 45.20 O HETATM 2917 O HOH A 611 23.302 115.009 11.007 1.00 32.62 O HETATM 2918 O HOH A 612 32.460 109.309 17.907 1.00 17.25 O HETATM 2919 O HOH A 613 28.702 105.061 -1.339 1.00 24.32 O HETATM 2920 O HOH A 614 75.588 112.604 39.108 1.00 47.77 O HETATM 2921 O HOH A 615 32.980 106.446 17.726 1.00 16.42 O HETATM 2922 O HOH A 616 73.641 110.184 34.175 1.00 34.81 O HETATM 2923 O HOH A 617 44.165 110.390 -0.226 1.00 33.40 O HETATM 2924 O HOH A 618 72.685 104.561 30.588 1.00 28.38 O HETATM 2925 O HOH A 619 35.873 100.685 3.825 1.00 26.07 O HETATM 2926 O HOH A 620 21.803 113.805 16.095 1.00 25.79 O HETATM 2927 O HOH A 621 26.248 106.429 14.505 1.00 31.84 O HETATM 2928 O HOH A 622 49.137 103.766 0.872 1.00 29.07 O HETATM 2929 O HOH A 623 24.324 97.497 20.347 1.00 42.77 O HETATM 2930 O HOH A 624 40.290 115.727 29.943 1.00 39.87 O HETATM 2931 O HOH A 625 68.283 119.459 41.860 1.00 31.54 O HETATM 2932 O HOH A 626 50.844 112.090 2.738 1.00 25.40 O HETATM 2933 O HOH A 627 66.370 120.482 48.200 1.00 41.03 O HETATM 2934 O HOH A 628 24.280 90.450 15.484 1.00 39.70 O HETATM 2935 O HOH A 629 46.988 100.963 10.618 1.00 24.53 O HETATM 2936 O HOH A 630 55.965 123.682 14.897 1.00 23.99 O HETATM 2937 O HOH A 631 22.562 112.621 11.569 1.00 26.21 O HETATM 2938 O HOH A 632 31.255 95.455 1.157 1.00 37.09 O HETATM 2939 O HOH A 633 46.082 107.855 6.692 1.00 22.13 O HETATM 2940 O HOH A 634 63.960 106.409 14.934 1.00 33.59 O HETATM 2941 O HOH A 635 52.955 114.386 8.136 1.00 21.29 O HETATM 2942 O HOH A 636 26.509 94.774 11.333 1.00 33.10 O HETATM 2943 O HOH A 637 35.799 114.444 29.411 1.00 43.40 O HETATM 2944 O HOH A 638 27.277 91.364 19.024 1.00 29.84 O HETATM 2945 O HOH A 639 64.792 129.430 44.106 1.00 27.69 O HETATM 2946 O HOH A 640 28.215 110.568 15.039 1.00 19.40 O HETATM 2947 O HOH A 641 62.709 120.256 25.352 1.00 28.51 O HETATM 2948 O HOH A 642 29.495 92.248 26.206 1.00 48.11 O HETATM 2949 O HOH A 643 21.251 109.014 10.836 1.00 49.69 O HETATM 2950 O HOH A 644 63.595 121.364 50.517 1.00 42.03 O HETATM 2951 O HOH A 645 33.310 98.716 1.558 1.00 41.92 O HETATM 2952 O HOH A 646 69.950 98.233 37.229 1.00 40.74 O HETATM 2953 O HOH A 647 41.679 110.862 28.728 1.00 31.28 O HETATM 2954 O HOH A 648 66.193 120.190 35.077 1.00 37.85 O HETATM 2955 O HOH A 649 38.847 105.145 21.971 1.00 27.84 O HETATM 2956 O HOH A 650 67.552 119.065 25.752 1.00 34.55 O HETATM 2957 O HOH A 651 60.504 123.111 53.014 1.00 40.11 O HETATM 2958 O HOH A 652 67.063 123.564 47.948 1.00 34.95 O HETATM 2959 O HOH A 653 52.452 125.455 47.472 1.00 33.81 O HETATM 2960 O HOH A 654 32.922 98.070 31.240 1.00 46.23 O HETATM 2961 O HOH A 655 42.900 104.342 16.348 1.00 23.09 O HETATM 2962 O HOH A 656 56.483 121.893 47.782 1.00 32.92 O HETATM 2963 O HOH A 657 30.641 104.678 29.272 1.00 28.31 O HETATM 2964 O HOH A 658 28.410 112.637 22.499 1.00 40.44 O HETATM 2965 O HOH A 659 28.349 91.288 21.472 1.00 30.63 O HETATM 2966 O HOH A 660 28.534 82.168 10.098 1.00 52.26 O HETATM 2967 O HOH A 661 43.522 111.318 30.988 1.00 35.42 O HETATM 2968 O HOH A 662 30.177 109.268 -2.423 1.00 34.40 O HETATM 2969 O HOH A 663 32.179 127.252 4.810 1.00 50.44 O HETATM 2970 O HOH A 664 62.356 128.028 50.526 1.00 31.15 O HETATM 2971 O HOH A 665 46.383 126.155 20.270 1.00 35.35 O HETATM 2972 O HOH A 666 38.680 118.917 -1.968 1.00 27.51 O HETATM 2973 O HOH A 667 45.565 127.159 16.097 1.00 39.63 O HETATM 2974 O HOH A 668 53.516 104.770 10.665 1.00 34.85 O HETATM 2975 O HOH A 669 66.859 107.210 20.795 1.00 22.36 O HETATM 2976 O HOH A 670 43.690 98.237 7.644 1.00 27.80 O HETATM 2977 O HOH A 671 38.343 99.691 2.616 1.00 24.27 O HETATM 2978 O HOH A 672 49.172 106.064 27.552 1.00 44.06 O HETATM 2979 O HOH A 673 60.685 104.125 41.348 1.00 37.21 O HETATM 2980 O HOH A 674 60.220 95.030 33.653 1.00 42.87 O HETATM 2981 O HOH A 675 65.312 120.960 25.964 1.00 25.99 O HETATM 2982 O HOH A 676 29.288 116.399 20.258 1.00 50.27 O HETATM 2983 O HOH A 677 63.577 127.158 37.640 1.00 31.47 O HETATM 2984 O HOH A 678 55.350 106.364 17.832 1.00 31.73 O HETATM 2985 O HOH A 679 65.276 122.877 24.032 1.00 38.05 O HETATM 2986 O HOH A 680 18.784 114.516 19.942 1.00 38.78 O HETATM 2987 O HOH A 681 34.944 97.919 3.826 1.00 31.67 O HETATM 2988 O HOH A 682 60.860 128.925 32.200 1.00 38.86 O HETATM 2989 O HOH A 683 55.119 128.023 10.252 1.00 41.82 O HETATM 2990 O HOH A 684 64.903 97.274 28.245 1.00 30.27 O HETATM 2991 O HOH A 685 51.521 113.241 26.477 1.00 36.70 O HETATM 2992 O HOH A 686 32.329 124.888 2.879 1.00 35.96 O HETATM 2993 O HOH A 687 50.970 92.531 9.689 1.00 46.88 O HETATM 2994 O HOH A 688 37.631 109.068 27.560 1.00 46.05 O HETATM 2995 O HOH A 689 62.387 94.767 36.317 1.00 37.73 O HETATM 2996 O HOH A 690 26.109 125.556 10.767 1.00 44.81 O HETATM 2997 O HOH A 691 44.107 109.700 28.366 1.00 36.50 O HETATM 2998 O HOH A 692 48.876 99.177 -0.710 1.00 28.84 O HETATM 2999 O HOH A 693 50.574 113.400 6.952 1.00 18.49 O HETATM 3000 O HOH A 694 54.541 125.211 6.463 1.00 33.71 O HETATM 3001 O HOH A 695 53.367 125.693 15.370 1.00 36.77 O HETATM 3002 O HOH A 696 67.542 95.727 35.817 1.00 38.10 O HETATM 3003 O HOH A 697 66.259 119.490 38.107 1.00 28.28 O HETATM 3004 O HOH A 698 46.193 120.244 32.704 1.00 46.28 O HETATM 3005 O HOH A 699 70.168 101.733 19.065 1.00 25.25 O HETATM 3006 O HOH A 700 52.285 118.076 33.704 1.00 27.23 O HETATM 3007 O HOH A 701 58.274 123.190 8.705 1.00 32.25 O HETATM 3008 O HOH A 702 63.666 101.144 17.223 1.00 46.61 O HETATM 3009 O HOH A 703 69.984 96.001 22.624 1.00 33.52 O HETATM 3010 O HOH A 704 49.816 115.672 28.139 1.00 52.46 O HETATM 3011 O HOH A 705 53.946 111.591 7.861 1.00 27.38 O HETATM 3012 O HOH A 706 58.647 98.527 25.505 1.00 46.14 O HETATM 3013 O HOH A 707 50.452 107.362 5.922 1.00 24.35 O HETATM 3014 O HOH A 708 38.899 95.227 0.221 1.00 27.83 O HETATM 3015 O HOH A 709 48.578 108.721 7.529 1.00 23.99 O HETATM 3016 O HOH A 710 70.810 103.208 16.941 1.00 30.13 O HETATM 3017 O HOH A 711 47.579 115.195 43.832 1.00 46.70 O HETATM 3018 O HOH A 712 29.758 98.795 -1.399 1.00 28.55 O HETATM 3019 O HOH A 713 49.480 108.067 1.237 1.00 22.12 O HETATM 3020 O HOH A 714 54.807 108.261 6.796 1.00 42.68 O HETATM 3021 O HOH A 715 61.971 131.692 42.134 1.00 35.27 O HETATM 3022 O HOH A 716 26.665 86.066 11.512 1.00 44.70 O HETATM 3023 O HOH A 717 55.228 105.946 12.126 1.00 34.16 O HETATM 3024 O HOH A 718 37.653 96.700 2.457 1.00 23.64 O HETATM 3025 O HOH A 719 64.188 103.214 15.237 1.00 51.85 O HETATM 3026 O HOH A 720 51.485 105.040 6.975 1.00 34.43 O HETATM 3027 O HOH A 721 40.899 114.956 -0.948 1.00 39.57 O HETATM 3028 O HOH A 722 66.066 109.795 13.292 1.00 39.70 O HETATM 3029 O HOH A 723 66.115 117.218 17.852 1.00 43.82 O HETATM 3030 O HOH A 724 61.316 106.304 13.855 1.00 35.51 O HETATM 3031 O HOH A 725 52.229 118.777 2.500 1.00 29.12 O HETATM 3032 O HOH A 726 41.412 98.110 22.019 1.00 26.27 O HETATM 3033 O HOH A 727 52.061 112.133 4.976 1.00 32.69 O HETATM 3034 O HOH A 728 28.170 108.160 26.633 1.00 33.64 O HETATM 3035 O HOH A 729 48.063 96.499 5.626 1.00 39.44 O HETATM 3036 O HOH A 730 26.208 108.300 -3.621 1.00 22.48 O HETATM 3037 O HOH A 731 18.760 104.672 0.094 1.00 30.99 O HETATM 3038 O HOH A 732 60.128 122.745 15.300 1.00 37.45 O HETATM 3039 O HOH A 733 30.605 106.496 -2.736 1.00 38.51 O HETATM 3040 O HOH A 734 49.917 116.842 33.811 1.00 46.15 O HETATM 3041 O HOH A 735 74.677 103.655 32.297 1.00 31.71 O HETATM 3042 O HOH A 736 27.078 124.054 1.252 1.00 43.46 O HETATM 3043 O HOH A 737 55.567 107.114 20.769 1.00 42.28 O HETATM 3044 O HOH A 738 59.864 101.968 43.128 1.00 56.70 O HETATM 3045 O HOH A 739 42.272 125.043 0.246 1.00 36.13 O HETATM 3046 O HOH A 740 23.917 91.639 7.642 1.00 41.23 O HETATM 3047 O HOH A 741 67.886 111.848 14.247 1.00 27.93 O HETATM 3048 O HOH A 742 40.128 124.613 -1.508 1.00 37.87 O HETATM 3049 O HOH A 743 22.980 98.998 4.354 1.00 39.03 O HETATM 3050 O HOH A 744 26.444 90.142 12.174 1.00 38.49 O HETATM 3051 O HOH A 745 38.689 100.298 0.037 1.00 42.77 O HETATM 3052 O HOH A 746 48.525 91.779 0.740 1.00 35.72 O HETATM 3053 O HOH A 747 30.302 109.838 26.053 1.00 43.05 O HETATM 3054 O HOH A 748 65.172 123.283 37.566 1.00 41.39 O HETATM 3055 O HOH A 749 54.426 115.874 6.243 1.00 31.46 O HETATM 3056 O HOH A 750 74.318 106.289 28.920 1.00 34.61 O HETATM 3057 O HOH A 751 50.712 104.284 3.107 1.00 32.68 O HETATM 3058 O HOH A 752 31.123 125.348 0.343 1.00 39.11 O HETATM 3059 O HOH A 753 65.274 94.522 36.669 1.00 49.91 O HETATM 3060 O HOH A 754 63.862 129.104 39.571 1.00 31.33 O HETATM 3061 O HOH A 755 27.371 92.223 11.119 1.00 34.38 O HETATM 3062 O HOH A 756 58.682 125.614 12.388 1.00 38.37 O HETATM 3063 O HOH A 757 23.374 96.398 5.940 1.00 39.46 O HETATM 3064 O HOH A 758 27.274 121.336 -2.516 1.00 37.22 O CONECT 1208 2797 CONECT 1306 2797 CONECT 2775 2782 2787 CONECT 2776 2777 2789 CONECT 2777 2776 2784 CONECT 2778 2779 2783 2789 CONECT 2779 2778 CONECT 2780 2783 2790 CONECT 2781 2786 2790 CONECT 2782 2775 2790 CONECT 2783 2778 2780 CONECT 2784 2777 2785 2791 CONECT 2785 2784 2788 CONECT 2786 2781 2787 CONECT 2787 2775 2786 CONECT 2788 2785 2789 CONECT 2789 2776 2778 2788 CONECT 2790 2780 2781 2782 CONECT 2791 2784 CONECT 2797 1208 1306 2887 2953 CONECT 2797 2967 2997 CONECT 2798 2799 2800 2801 2802 CONECT 2799 2798 CONECT 2800 2798 CONECT 2801 2798 CONECT 2802 2798 CONECT 2803 2804 2805 2806 CONECT 2804 2803 CONECT 2805 2803 CONECT 2806 2803 CONECT 2887 2797 CONECT 2953 2797 CONECT 2967 2797 CONECT 2997 2797 END