USER MOD reduce.3.24.130724 H: found=0, std=0, add=1930, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER GLYCOPROTEIN 27-MAR-98 1RAV TITLE RECOMBINANT AVIDIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: AVIDIN; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 CELL_LINE: BL21; SOURCE 6 CELL: EGG; SOURCE 7 CELLULAR_LOCATION: CYTOPLASM (WHITE); SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 1 EXPRESSION_SYSTEM_PLASMID: BL21 KEYWDS AVIDIN, BIOTIN BINDING PROTEIN, CALYCINS, UP-AND-DOWN BETA BARREL, KEYWDS 2 GLYCOPROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR C.ROSANO,P.AROSIO,M.BOLOGNESI REVDAT 3 13-JUL-11 1RAV 1 VERSN REVDAT 2 24-FEB-09 1RAV 1 VERSN REVDAT 1 15-JUL-98 1RAV 0 JRNL AUTH E.NARDONE,C.ROSANO,P.SANTAMBROGIO,F.CURNIS,A.CORTI,F.MAGNI, JRNL AUTH 2 A.G.SICCARDI,G.PAGANELLI,R.LOSSO,B.APREDA,M.BOLOGNESI, JRNL AUTH 3 A.SIDOLI,P.AROSIO JRNL TITL BIOCHEMICAL CHARACTERIZATION AND CRYSTAL STRUCTURE OF A JRNL TITL 2 RECOMBINANT HEN AVIDIN AND ITS ACIDIC MUTANT EXPRESSED IN JRNL TITL 3 ESCHERICHIA COLI. JRNL REF EUR.J.BIOCHEM. V. 256 453 1998 JRNL REFN ISSN 0014-2956 JRNL PMID 9760187 JRNL DOI 10.1046/J.1432-1327.1998.2560453.X REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH L.PUGLIESE,M.MALCOVATI,A.CODA,M.BOLOGNESI REMARK 1 TITL CRYSTAL STRUCTURE OF APO-AVIDIN FROM HEN EGG-WHITE REMARK 1 REF J.MOL.BIOL. V. 235 42 1994 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH O.LIVNAH,E.A.BAYER,M.WILCHEK,J.L.SUSSMAN REMARK 1 TITL THREE-DIMENSIONAL STRUCTURES OF AVIDIN AND THE AVIDIN-BIOTIN REMARK 1 TITL 2 COMPLEX REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 90 5076 1993 REMARK 1 REFN ISSN 0027-8424 REMARK 1 REFERENCE 3 REMARK 1 AUTH L.PUGLIESE,A.CODA,M.MALCOVATI,M.BOLOGNESI REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF THE TETRAGONAL CRYSTAL FORM REMARK 1 TITL 2 OF EGG-WHITE AVIDIN IN ITS FUNCTIONAL COMPLEX WITH BIOTIN AT REMARK 1 TITL 3 2.7 A RESOLUTION REMARK 1 REF J.MOL.BIOL. V. 231 698 1993 REMARK 1 REFN ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. 2.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT V. 5-E REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.20 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 95.0 REMARK 3 NUMBER OF REFLECTIONS : 13480 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : 0.1700 REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : 13480 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1952 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 80 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.016 ; 4.500 ; 1994 REMARK 3 BOND ANGLES (DEGREES) : 2.611 ; 7.500 ; 2696 REMARK 3 TORSION ANGLES (DEGREES) : 20.538; 0.000 ; 1194 REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.017 ; 5.500 ; 48 REMARK 3 GENERAL PLANES (A) : 0.018 ; 21.900; 288 REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 3.466 ; 17.000; 1994 REMARK 3 NON-BONDED CONTACTS (A) : 0.062 ; 12.000; 41 REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : TNT REMARK 3 KSOL : 0.77 REMARK 3 BSOL : 150.00 REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : TNT PROTGEO REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : TNT BCORREL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RAV COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : OCT-97 REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 7.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE(002) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13827 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.200 REMARK 200 RESOLUTION RANGE LOW (A) : 20.500 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 95.0 REMARK 200 DATA REDUNDANCY : 3.600 REMARK 200 R MERGE (I) : 0.05400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.70 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.1 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: PDB ENTRY 1AVE REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 58.70 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.42 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: RECOMBINANT AVIDIN WAS CRYSTALLIZED REMARK 280 FROM 9% W/V PEG 8000. PH 7.2 0.05 M TRIS BUFFER AT 22 C BY VAPOUR REMARK 280 DIFFUSION TECHNIQUES., VAPOR DIFFUSION REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X+1/2,Y+1/2,-Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 37.84500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 40.39500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 37.84500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 40.39500 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: TETRAMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC REMARK 350 SOFTWARE USED: PISA,PQS REMARK 350 TOTAL BURIED SURFACE AREA: 10210 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 21920 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -49.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 -1.000000 0.000000 0.000000 75.69000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLN A 126 REMARK 465 LYS A 127 REMARK 465 GLU A 128 REMARK 465 GLN B 126 REMARK 465 LYS B 127 REMARK 465 GLU B 128 REMARK 475 REMARK 475 ZERO OCCUPANCY RESIDUES REMARK 475 THE FOLLOWING RESIDUES WERE MODELED WITH ZERO OCCUPANCY. REMARK 475 THE LOCATION AND PROPERTIES OF THESE RESIDUES MAY NOT REMARK 475 BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 475 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE) REMARK 475 M RES C SSEQI REMARK 475 ALA A 36 REMARK 475 VAL A 37 REMARK 475 THR A 38 REMARK 475 ALA A 39 REMARK 475 THR A 40 REMARK 475 SER A 41 REMARK 475 ARG A 87 REMARK 475 ARG A 124 REMARK 475 THR A 125 REMARK 475 VAL B 37 REMARK 475 THR B 38 REMARK 475 ALA B 39 REMARK 475 THR B 40 REMARK 475 SER B 41 REMARK 475 ASN B 42 REMARK 475 GLU B 43 REMARK 475 THR B 125 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 ARG A 2 CG CD NE CZ NH1 NH2 REMARK 480 LYS A 9 CE NZ REMARK 480 ASP A 13 CB CG OD1 OD2 REMARK 480 LEU A 14 CB CG CD1 CD2 REMARK 480 ARG A 26 NE CZ NH1 NH2 REMARK 480 ILE A 34 CG2 CD1 REMARK 480 ASN A 42 N O CB CG OD1 ND2 REMARK 480 GLU A 43 CG CD OE1 OE2 REMARK 480 ILE A 44 CG1 CG2 CD1 REMARK 480 LYS A 45 CE NZ REMARK 480 GLU A 46 OE2 REMARK 480 LYS A 58 CG CD CE NZ REMARK 480 ARG A 59 NH1 NH2 REMARK 480 ASP A 86 N O CB CG OD1 OD2 REMARK 480 ASN A 88 CA C O CB CG OD1 ND2 REMARK 480 LYS A 90 CG CD CE NZ REMARK 480 LYS A 94 NZ REMARK 480 ASN A 104 CG OD1 REMARK 480 LYS A 111 CE NZ REMARK 480 LEU A 123 CG CD1 CD2 REMARK 480 ARG B 2 CB CG CD NE CZ NH1 NH2 REMARK 480 LYS B 9 CD CE NZ REMARK 480 LEU B 14 CD1 CD2 REMARK 480 ARG B 26 NE CZ NH1 NH2 REMARK 480 ILE B 34 CD1 REMARK 480 THR B 35 OG1 REMARK 480 ALA B 36 C O CB REMARK 480 ILE B 44 CG1 CG2 CD1 REMARK 480 LYS B 45 NZ REMARK 480 GLU B 46 CD OE1 OE2 REMARK 480 LYS B 58 CE NZ REMARK 480 ARG B 87 CD NE CZ NH1 NH2 REMARK 480 LYS B 90 CE NZ REMARK 480 ASN B 104 OD1 REMARK 480 ASP B 105 CG OD1 OD2 REMARK 480 ASP B 108 OD1 OD2 REMARK 480 LYS B 111 CE NZ REMARK 480 ARG B 124 CA C O CB CG CD NE REMARK 480 ARG B 124 CZ NH1 NH2 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 O GLY A 89 O HOH A 546 2.15 REMARK 500 O THR A 7 NH2 ARG A 122 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ASP A 13 CB - CG - OD1 ANGL. DEV. = -5.4 DEGREES REMARK 500 THR A 35 CA - CB - CG2 ANGL. DEV. = -8.8 DEGREES REMARK 500 ASP A 86 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 MET A 96 CG - SD - CE ANGL. DEV. = -11.3 DEGREES REMARK 500 ARG A 100 CD - NE - CZ ANGL. DEV. = 16.7 DEGREES REMARK 500 ARG A 100 NE - CZ - NH1 ANGL. DEV. = 8.1 DEGREES REMARK 500 ARG A 100 NE - CZ - NH2 ANGL. DEV. = -7.5 DEGREES REMARK 500 ASP A 105 CB - CG - OD1 ANGL. DEV. = -7.4 DEGREES REMARK 500 ASP A 109 CB - CG - OD1 ANGL. DEV. = 7.6 DEGREES REMARK 500 ARG A 114 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ARG A 122 NE - CZ - NH2 ANGL. DEV. = -3.4 DEGREES REMARK 500 ASP B 13 CB - CG - OD1 ANGL. DEV. = 6.9 DEGREES REMARK 500 THR B 55 CA - CB - CG2 ANGL. DEV. = -10.0 DEGREES REMARK 500 ARG B 59 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 CYS B 83 CA - CB - SG ANGL. DEV. = 6.9 DEGREES REMARK 500 ASP B 86 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES REMARK 500 ASP B 86 CB - CG - OD2 ANGL. DEV. = -8.5 DEGREES REMARK 500 ARG B 100 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES REMARK 500 ASP B 105 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 ASP B 108 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ASP B 109 CB - CG - OD1 ANGL. DEV. = 6.5 DEGREES REMARK 500 ASP B 109 CB - CG - OD2 ANGL. DEV. = -8.0 DEGREES REMARK 500 ILE B 117 CA - CB - CG2 ANGL. DEV. = 12.8 DEGREES REMARK 500 ARG B 122 CD - NE - CZ ANGL. DEV. = -10.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ASN A 24 -178.65 -67.99 REMARK 500 THR A 38 -48.64 172.95 REMARK 500 ALA A 39 -45.48 -169.96 REMARK 500 SER A 41 -54.70 -174.55 REMARK 500 ASN A 42 -72.36 140.85 REMARK 500 GLU A 43 -91.77 -139.41 REMARK 500 LYS A 58 57.39 34.42 REMARK 500 ARG A 87 -25.11 135.35 REMARK 500 ASN A 88 4.49 158.84 REMARK 500 ARG A 124 78.82 -34.45 REMARK 500 LYS B 3 103.59 145.26 REMARK 500 ALA B 36 3.08 -152.20 REMARK 500 VAL B 37 -150.02 -82.56 REMARK 500 THR B 38 -66.59 72.75 REMARK 500 ALA B 39 -4.18 173.34 REMARK 500 SER B 41 -98.53 -62.79 REMARK 500 ASN B 42 -145.46 37.20 REMARK 500 ARG B 124 63.04 -59.24 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE REMARK 500 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,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 GLU A 28 24.2 L L OUTSIDE RANGE REMARK 500 GLU A 43 23.2 L L OUTSIDE RANGE REMARK 500 LYS A 45 20.5 L L OUTSIDE RANGE REMARK 500 LYS B 3 24.2 L L OUTSIDE RANGE REMARK 500 ASN B 12 24.5 L L OUTSIDE RANGE REMARK 500 THR B 19 25.0 L L OUTSIDE RANGE REMARK 500 SER B 25 23.6 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: B1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL REMARK 800 REMARK 800 SITE_IDENTIFIER: B2 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: NULL DBREF 1RAV A 2 128 UNP P02701 AVID_CHICK 26 152 DBREF 1RAV B 2 128 UNP P02701 AVID_CHICK 26 152 SEQRES 1 A 127 ARG LYS CYS SER LEU THR GLY LYS TRP THR ASN ASP LEU SEQRES 2 A 127 GLY SER ASN MET THR ILE GLY ALA VAL ASN SER ARG GLY SEQRES 3 A 127 GLU PHE THR GLY THR TYR ILE THR ALA VAL THR ALA THR SEQRES 4 A 127 SER ASN GLU ILE LYS GLU SER PRO LEU HIS GLY THR GLU SEQRES 5 A 127 ASN THR ILE ASN LYS ARG THR GLN PRO THR PHE GLY PHE SEQRES 6 A 127 THR VAL ASN TRP LYS PHE SER GLU SER THR THR VAL PHE SEQRES 7 A 127 THR GLY GLN CYS PHE ILE ASP ARG ASN GLY LYS GLU VAL SEQRES 8 A 127 LEU LYS THR MET TRP LEU LEU ARG SER SER VAL ASN ASP SEQRES 9 A 127 ILE GLY ASP ASP TRP LYS ALA THR ARG VAL GLY ILE ASN SEQRES 10 A 127 ILE PHE THR ARG LEU ARG THR GLN LYS GLU SEQRES 1 B 127 ARG LYS CYS SER LEU THR GLY LYS TRP THR ASN ASP LEU SEQRES 2 B 127 GLY SER ASN MET THR ILE GLY ALA VAL ASN SER ARG GLY SEQRES 3 B 127 GLU PHE THR GLY THR TYR ILE THR ALA VAL THR ALA THR SEQRES 4 B 127 SER ASN GLU ILE LYS GLU SER PRO LEU HIS GLY THR GLU SEQRES 5 B 127 ASN THR ILE ASN LYS ARG THR GLN PRO THR PHE GLY PHE SEQRES 6 B 127 THR VAL ASN TRP LYS PHE SER GLU SER THR THR VAL PHE SEQRES 7 B 127 THR GLY GLN CYS PHE ILE ASP ARG ASN GLY LYS GLU VAL SEQRES 8 B 127 LEU LYS THR MET TRP LEU LEU ARG SER SER VAL ASN ASP SEQRES 9 B 127 ILE GLY ASP ASP TRP LYS ALA THR ARG VAL GLY ILE ASN SEQRES 10 B 127 ILE PHE THR ARG LEU ARG THR GLN LYS GLU FORMUL 3 HOH *80(H2 O) HELIX 1 1 ILE A 56 LYS A 58 5 3 HELIX 2 2 ILE A 106 LYS A 111 5 6 HELIX 3 3 ILE B 56 LYS B 58 5 3 HELIX 4 4 ILE B 106 LYS B 111 5 6 SHEET 1 A 9 ASN A 17 ILE A 20 0 SHEET 2 A 9 GLY A 8 ASN A 12 -1 N TRP A 10 O MET A 18 SHEET 3 A 9 THR A 113 ARG A 122 -1 N THR A 121 O THR A 11 SHEET 4 A 9 GLU A 91 ARG A 100 -1 N LEU A 99 O ARG A 114 SHEET 5 A 9 THR A 76 ILE A 85 -1 N PHE A 84 O VAL A 92 SHEET 6 A 9 THR A 63 ASN A 69 -1 N VAL A 68 O THR A 77 SHEET 7 A 9 LYS A 45 GLU A 53 -1 N THR A 52 O GLY A 65 SHEET 8 A 9 GLU A 28 THR A 35 -1 N THR A 35 O LYS A 45 SHEET 9 A 9 ASN A 17 ILE A 20 -1 N THR A 19 O THR A 32 SHEET 1 B 9 ASN B 17 ILE B 20 0 SHEET 2 B 9 GLY B 8 ASN B 12 -1 N TRP B 10 O MET B 18 SHEET 3 B 9 THR B 113 ARG B 122 -1 N THR B 121 O THR B 11 SHEET 4 B 9 GLU B 91 ARG B 100 -1 N LEU B 99 O ARG B 114 SHEET 5 B 9 THR B 76 ILE B 85 -1 N PHE B 84 O VAL B 92 SHEET 6 B 9 THR B 63 ASN B 69 -1 N VAL B 68 O THR B 77 SHEET 7 B 9 LYS B 45 GLU B 53 -1 N THR B 52 O GLY B 65 SHEET 8 B 9 GLU B 28 THR B 35 -1 N THR B 35 O LYS B 45 SHEET 9 B 9 ASN B 17 ILE B 20 -1 N THR B 19 O THR B 32 SSBOND *** CYS A 4 CYS A 83 1555 1555 2.01 SSBOND *** CYS B 4 CYS B 83 1555 1555 1.99 SITE *** B1 5 ASN A 12 SER A 16 TYR A 33 THR A 35 SITE *** B1 5 ASN A 118 SITE *** B2 5 ASN B 12 SER B 16 TYR B 33 THR B 35 SITE *** B2 5 ASN B 118 CRYST1 75.690 80.790 43.630 90.00 90.00 90.00 P 21 21 2 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013212 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012378 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022920 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 73 SER OG : rot 180:sc= -0.204 USER MOD Set 1.2: B 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: B 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 35 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: B 11 THR OG1 : rot 88:sc= 0.00308 USER MOD Set 3.2: B 17 ASN : amide:sc= 0.00175 X(o=0.0048,f=0) USER MOD Set 4.1: A 73 SER OG : rot 180:sc= 0.259 USER MOD Set 4.2: A 75 SER OG : rot 94:sc= 1.05 USER MOD Set 5.1: A 55 THR OG1 : rot -33:sc= 0.389 USER MOD Set 5.2: A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.1: A 12 ASN : amide:sc= -2.36! C(o=-2.4!,f=-14!) USER MOD Set 6.2: A 16 SER OG : rot 180:sc= 0 USER MOD Set 6.3: A 35 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 11 THR OG1 : rot 88:sc= 0.195 USER MOD Set 7.2: A 17 ASN : amide:sc= 0.315 K(o=0.51,f=-0.44) USER MOD Single : A 3 LYS NZ :NH3+ -149:sc= 0.297 (180deg=-0.13) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -61:sc= 0.543 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.218 K(o=0.22,f=-11!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 59:sc= 0.0313 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 160:sc= 0.00759 USER MOD Single : A 50 HIS : no HD1:sc= -0.0166 X(o=-0.017,f=-0.15) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -7.59! K(o=-7.6!,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= -0.15 K(o=-0.15,f=-0.83) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0381 K(o=-0.038,f=-0.72) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 1.69 K(o=1.7,f=-1.7!) USER MOD Single : A 71 LYS NZ :NH3+ -111:sc= 1.06 (180deg=-0.312) USER MOD Single : A 76 THR OG1 : rot -10:sc= 0.909 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.513 USER MOD Single : A 80 THR OG1 : rot 27:sc= 1.21 USER MOD Single : A 82 GLN : amide:sc= 0.762 K(o=0.76,f=-0.59) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -45:sc= 0.777 USER MOD Single : A 96 MET CE :methyl 171:sc= -0.196 (180deg=-0.221) USER MOD Single : A 101 SER OG : rot 89:sc= 0.0664 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 96:sc= 2.1 USER MOD Single : A 118 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.47) USER MOD Single : A 121 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 165:sc= 0.488 (180deg=0.42) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 7 THR OG1 : rot -69:sc= 0.499 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= -0.0671 K(o=-0.067,f=-6!) USER MOD Single : B 18 MET CE :methyl 168:sc= 0 (180deg=-0.00537) USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 24 ASN : amide:sc= -0.235 K(o=-0.23,f=-5!) USER MOD Single : B 25 SER OG : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 43:sc= 1.22 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 38 THR OG1 : rot 180:sc= 0 USER MOD Single : B 40 THR OG1 : rot 180:sc= 0 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 SER OG : rot 120:sc= 0.0668 USER MOD Single : B 50 HIS : no HD1:sc= -1.71 K(o=-1.7,f=-0.48) USER MOD Single : B 52 THR OG1 : rot 180:sc= 0 USER MOD Single : B 54 ASN : amide:sc= 0.152 K(o=0.15,f=-3.8!) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 ASN : amide:sc= -0.873 K(o=-0.87,f=-0.036) USER MOD Single : B 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 60 THR OG1 : rot 180:sc= 0.0285 USER MOD Single : B 61 GLN : amide:sc= 1.01 K(o=1,f=-7.6!) USER MOD Single : B 63 THR OG1 : rot 180:sc= 0 USER MOD Single : B 67 THR OG1 : rot 85:sc= 1.19 USER MOD Single : B 69 ASN : amide:sc= -3.52! K(o=-3.5!,f=1.2) USER MOD Single : B 71 LYS NZ :NH3+ 139:sc= 0.472 (180deg=0.0617) USER MOD Single : B 76 THR OG1 : rot -13:sc= 0.242 USER MOD Single : B 77 THR OG1 : rot 180:sc= 0.639 USER MOD Single : B 80 THR OG1 : rot 26:sc= 0.539 USER MOD Single : B 82 GLN : amide:sc= 0.561 K(o=0.56,f=-0.62) USER MOD Single : B 88 ASN : amide:sc= -6.34! K(o=-6.3!,f=-0.011) USER MOD Single : B 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 95 THR OG1 : rot -37:sc= 0.945 USER MOD Single : B 96 MET CE :methyl -119:sc= -4.59! (180deg=-8.89!) USER MOD Single : B 101 SER OG : rot 87:sc= 0.707 USER MOD Single : B 102 SER OG : rot 170:sc= 0 USER MOD Single : B 104 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 THR OG1 : rot 100:sc= 2.02 USER MOD Single : B 118 ASN : amide:sc= -0.233 X(o=-0.23,f=-0.39) USER MOD Single : B 121 THR OG1 : rot 180:sc= 0 USER MOD Single : B 125 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 2 41.650 27.311 -3.795 1.00 76.10 N ATOM 2 CA ARG A 2 42.278 27.262 -2.472 1.00 79.02 C ATOM 3 C ARG A 2 41.885 26.044 -1.638 1.00 80.60 C ATOM 4 O ARG A 2 40.781 25.523 -1.745 1.00 81.17 O ATOM 5 CB ARG A 2 42.203 28.550 -1.667 1.00 84.63 C ATOM 6 CG ARG A 2 41.209 28.474 -0.517 0.00 90.70 C ATOM 7 CD ARG A 2 39.777 28.262 -0.992 0.00 93.15 C ATOM 8 NE ARG A 2 39.494 28.927 -2.260 0.00 93.25 N ATOM 9 CZ ARG A 2 38.969 30.145 -2.360 0.00100.00 C ATOM 10 NH1 ARG A 2 38.650 30.865 -1.288 0.00 87.47 N ATOM 11 NH2 ARG A 2 38.751 30.657 -3.568 0.00 86.88 N ATOM 0 HA ARG A 2 43.217 27.156 -2.692 1.00 79.02 H new ATOM 0 HB2 ARG A 2 43.083 28.757 -1.315 1.00 84.63 H new ATOM 0 HB3 ARG A 2 41.954 29.280 -2.256 1.00 84.63 H new ATOM 0 HG2 ARG A 2 41.460 27.748 0.075 0.00 90.70 H new ATOM 0 HG3 ARG A 2 41.256 29.293 0.001 0.00 90.70 H new ATOM 0 HD2 ARG A 2 39.610 27.311 -1.087 0.00 93.15 H new ATOM 0 HD3 ARG A 2 39.165 28.592 -0.316 0.00 93.15 H new ATOM 0 HE ARG A 2 39.678 28.506 -2.987 0.00 93.25 H new ATOM 0 HH11 ARG A 2 38.782 30.545 -0.501 0.00 87.47 H new ATOM 0 HH12 ARG A 2 38.312 31.650 -1.382 0.00 87.47 H new ATOM 0 HH21 ARG A 2 38.949 30.202 -4.270 0.00 86.88 H new ATOM 0 HH22 ARG A 2 38.412 31.443 -3.647 0.00 86.88 H new ATOM 12 N LYS A 3 42.819 25.609 -0.796 1.00 72.74 N ATOM 13 CA LYS A 3 42.693 24.392 0.003 1.00 69.94 C ATOM 14 C LYS A 3 42.341 24.503 1.473 1.00 61.24 C ATOM 15 O LYS A 3 42.430 25.547 2.128 1.00 65.50 O ATOM 16 CB LYS A 3 43.971 23.561 -0.109 1.00 74.03 C ATOM 17 CG LYS A 3 45.154 24.205 0.610 1.00 71.52 C ATOM 18 CD LYS A 3 46.479 23.512 0.334 1.00 75.55 C ATOM 19 CE LYS A 3 46.602 22.165 1.038 1.00 69.49 C ATOM 20 NZ LYS A 3 46.494 22.250 2.515 1.00 43.57 N ATOM 0 H LYS A 3 43.562 26.024 -0.670 1.00 72.74 H new ATOM 0 HA LYS A 3 41.910 23.981 -0.394 1.00 69.94 H new ATOM 0 HB2 LYS A 3 43.813 22.679 0.262 1.00 74.03 H new ATOM 0 HB3 LYS A 3 44.193 23.440 -1.045 1.00 74.03 H new ATOM 0 HG2 LYS A 3 45.221 25.134 0.340 1.00 71.52 H new ATOM 0 HG3 LYS A 3 44.986 24.198 1.565 1.00 71.52 H new ATOM 0 HD2 LYS A 3 46.578 23.382 -0.622 1.00 75.55 H new ATOM 0 HD3 LYS A 3 47.206 24.088 0.619 1.00 75.55 H new ATOM 0 HE2 LYS A 3 45.911 21.571 0.705 1.00 69.49 H new ATOM 0 HE3 LYS A 3 47.455 21.765 0.807 1.00 69.49 H new ATOM 0 HZ1 LYS A 3 46.987 21.609 2.886 1.00 43.57 H new ATOM 0 HZ2 LYS A 3 46.787 23.045 2.789 1.00 43.57 H new ATOM 0 HZ3 LYS A 3 45.644 22.148 2.757 1.00 43.57 H new ATOM 21 N CYS A 4 41.989 23.342 1.988 1.00 45.61 N ATOM 22 CA CYS A 4 41.627 23.197 3.377 1.00 41.26 C ATOM 23 C CYS A 4 42.900 23.122 4.151 1.00 36.90 C ATOM 24 O CYS A 4 43.725 22.273 3.897 1.00 37.51 O ATOM 25 CB CYS A 4 40.719 21.976 3.523 1.00 41.57 C ATOM 26 SG CYS A 4 40.079 21.747 5.198 1.00 45.25 S ATOM 0 H CYS A 4 41.954 22.611 1.537 1.00 45.61 H new ATOM 0 HA CYS A 4 41.117 23.945 3.725 1.00 41.26 H new ATOM 0 HB2 CYS A 4 39.973 22.062 2.909 1.00 41.57 H new ATOM 0 HB3 CYS A 4 41.212 21.183 3.262 1.00 41.57 H new ATOM 27 N SER A 5 43.097 24.103 5.022 1.00 34.92 N ATOM 28 CA SER A 5 44.316 24.263 5.838 1.00 38.26 C ATOM 29 C SER A 5 44.200 23.774 7.323 1.00 35.44 C ATOM 30 O SER A 5 43.255 24.103 8.048 1.00 34.29 O ATOM 31 CB SER A 5 44.816 25.718 5.734 1.00 41.24 C ATOM 32 OG SER A 5 46.119 25.853 6.258 1.00 57.00 O ATOM 0 H SER A 5 42.513 24.717 5.166 1.00 34.92 H new ATOM 0 HA SER A 5 44.978 23.662 5.462 1.00 38.26 H new ATOM 0 HB2 SER A 5 44.808 25.999 4.806 1.00 41.24 H new ATOM 0 HB3 SER A 5 44.210 26.305 6.213 1.00 41.24 H new ATOM 0 HG SER A 5 46.368 26.652 6.188 1.00 57.00 H new ATOM 33 N LEU A 6 45.183 22.976 7.756 1.00 32.79 N ATOM 34 CA LEU A 6 45.251 22.405 9.106 1.00 35.55 C ATOM 35 C LEU A 6 45.640 23.451 10.186 1.00 35.79 C ATOM 36 O LEU A 6 45.129 23.430 11.323 1.00 34.70 O ATOM 37 CB LEU A 6 46.266 21.227 9.128 1.00 37.08 C ATOM 38 CG LEU A 6 45.780 19.753 9.119 1.00 44.31 C ATOM 39 CD1 LEU A 6 44.266 19.573 9.093 1.00 39.53 C ATOM 40 CD2 LEU A 6 46.404 19.008 7.942 1.00 55.77 C ATOM 0 H LEU A 6 45.846 22.746 7.258 1.00 32.79 H new ATOM 0 HA LEU A 6 44.361 22.088 9.325 1.00 35.55 H new ATOM 0 HB2 LEU A 6 46.848 21.339 8.360 1.00 37.08 H new ATOM 0 HB3 LEU A 6 46.816 21.340 9.919 1.00 37.08 H new ATOM 0 HG LEU A 6 46.073 19.381 9.966 1.00 44.31 H new ATOM 0 HD11 LEU A 6 44.052 18.627 9.089 1.00 39.53 H new ATOM 0 HD12 LEU A 6 43.877 19.988 9.878 1.00 39.53 H new ATOM 0 HD13 LEU A 6 43.904 19.989 8.295 1.00 39.53 H new ATOM 0 HD21 LEU A 6 46.097 18.088 7.942 1.00 55.77 H new ATOM 0 HD22 LEU A 6 46.142 19.436 7.112 1.00 55.77 H new ATOM 0 HD23 LEU A 6 47.370 19.026 8.023 1.00 55.77 H new ATOM 41 N THR A 7 46.565 24.356 9.788 1.00 31.35 N ATOM 42 CA THR A 7 47.113 25.414 10.629 1.00 29.49 C ATOM 43 C THR A 7 46.070 26.258 11.321 1.00 34.43 C ATOM 44 O THR A 7 45.140 26.759 10.714 1.00 33.57 O ATOM 45 CB THR A 7 48.066 26.307 9.868 1.00 27.93 C ATOM 46 OG1 THR A 7 49.185 25.550 9.393 1.00 35.35 O ATOM 47 CG2 THR A 7 48.510 27.421 10.810 1.00 28.93 C ATOM 0 H THR A 7 46.892 24.359 8.993 1.00 31.35 H new ATOM 0 HA THR A 7 47.599 24.941 11.322 1.00 29.49 H new ATOM 0 HB THR A 7 47.631 26.690 9.090 1.00 27.93 H new ATOM 0 HG1 THR A 7 49.600 25.224 10.046 1.00 35.35 H new ATOM 0 HG21 THR A 7 49.124 28.011 10.346 1.00 28.93 H new ATOM 0 HG22 THR A 7 47.735 27.926 11.102 1.00 28.93 H new ATOM 0 HG23 THR A 7 48.953 27.035 11.582 1.00 28.93 H new ATOM 48 N GLY A 8 46.193 26.415 12.623 1.00 31.25 N ATOM 49 CA GLY A 8 45.158 27.217 13.281 1.00 31.40 C ATOM 50 C GLY A 8 44.499 26.586 14.534 1.00 37.49 C ATOM 51 O GLY A 8 45.014 25.629 15.176 1.00 37.19 O ATOM 0 H GLY A 8 46.816 26.096 13.123 1.00 31.25 H new ATOM 0 HA2 GLY A 8 45.548 28.068 13.537 1.00 31.40 H new ATOM 0 HA3 GLY A 8 44.462 27.407 12.633 1.00 31.40 H new ATOM 52 N LYS A 9 43.330 27.157 14.863 1.00 32.08 N ATOM 53 CA LYS A 9 42.559 26.718 16.004 1.00 35.77 C ATOM 54 C LYS A 9 41.274 26.000 15.648 1.00 32.83 C ATOM 55 O LYS A 9 40.497 26.461 14.805 1.00 37.26 O ATOM 56 CB LYS A 9 42.328 27.827 17.040 1.00 44.59 C ATOM 57 CG LYS A 9 43.609 28.533 17.487 1.00 48.43 C ATOM 58 CD LYS A 9 43.436 29.543 18.635 1.00 48.40 C ATOM 59 CE LYS A 9 44.713 29.776 19.427 0.00 59.56 C ATOM 60 NZ LYS A 9 44.834 31.152 19.928 0.00 68.86 N ATOM 0 H LYS A 9 42.974 27.806 14.425 1.00 32.08 H new ATOM 0 HA LYS A 9 43.122 26.051 16.427 1.00 35.77 H new ATOM 0 HB2 LYS A 9 41.720 28.484 16.667 1.00 44.59 H new ATOM 0 HB3 LYS A 9 41.891 27.445 17.817 1.00 44.59 H new ATOM 0 HG2 LYS A 9 44.252 27.861 17.761 1.00 48.43 H new ATOM 0 HG3 LYS A 9 43.989 28.995 16.724 1.00 48.43 H new ATOM 0 HD2 LYS A 9 43.130 30.388 18.271 1.00 48.40 H new ATOM 0 HD3 LYS A 9 42.744 29.225 19.235 1.00 48.40 H new ATOM 0 HE2 LYS A 9 44.740 29.161 20.176 0.00 59.56 H new ATOM 0 HE3 LYS A 9 45.478 29.573 18.866 0.00 59.56 H new ATOM 0 HZ1 LYS A 9 45.594 31.237 20.383 0.00 68.86 H new ATOM 0 HZ2 LYS A 9 44.834 31.719 19.242 0.00 68.86 H new ATOM 0 HZ3 LYS A 9 44.147 31.335 20.463 0.00 68.86 H new ATOM 61 N TRP A 10 41.060 24.868 16.329 1.00 27.32 N ATOM 62 CA TRP A 10 39.893 24.041 16.058 1.00 29.21 C ATOM 63 C TRP A 10 39.074 23.612 17.275 1.00 34.72 C ATOM 64 O TRP A 10 39.522 23.596 18.427 1.00 32.63 O ATOM 65 CB TRP A 10 40.430 22.804 15.338 1.00 28.18 C ATOM 66 CG TRP A 10 41.223 23.058 14.049 1.00 30.43 C ATOM 67 CD1 TRP A 10 42.588 23.128 13.888 1.00 33.49 C ATOM 68 CD2 TRP A 10 40.674 23.170 12.713 1.00 29.57 C ATOM 69 NE1 TRP A 10 42.928 23.204 12.543 1.00 31.07 N ATOM 70 CE2 TRP A 10 41.771 23.221 11.807 1.00 30.80 C ATOM 71 CE3 TRP A 10 39.359 23.029 12.191 1.00 31.09 C ATOM 72 CZ2 TRP A 10 41.551 23.323 10.435 1.00 29.60 C ATOM 73 CZ3 TRP A 10 39.172 23.056 10.811 1.00 29.35 C ATOM 74 CH2 TRP A 10 40.256 23.237 9.967 1.00 28.73 C ATOM 0 H TRP A 10 41.578 24.568 16.946 1.00 27.32 H new ATOM 0 HA TRP A 10 39.267 24.570 15.539 1.00 29.21 H new ATOM 0 HB2 TRP A 10 40.999 22.316 15.954 1.00 28.18 H new ATOM 0 HB3 TRP A 10 39.680 22.226 15.125 1.00 28.18 H new ATOM 0 HD1 TRP A 10 43.202 23.125 14.587 1.00 33.49 H new ATOM 0 HE1 TRP A 10 43.727 23.235 12.226 1.00 31.07 H new ATOM 0 HE3 TRP A 10 38.634 22.920 12.763 1.00 31.09 H new ATOM 0 HZ2 TRP A 10 42.261 23.446 9.848 1.00 29.60 H new ATOM 0 HZ3 TRP A 10 38.319 22.952 10.456 1.00 29.35 H new ATOM 0 HH2 TRP A 10 40.105 23.303 9.052 1.00 28.73 H new ATOM 75 N THR A 11 37.832 23.264 17.044 1.00 27.91 N ATOM 76 CA THR A 11 37.087 22.789 18.154 1.00 25.69 C ATOM 77 C THR A 11 36.229 21.619 17.739 1.00 33.55 C ATOM 78 O THR A 11 35.826 21.496 16.598 1.00 35.08 O ATOM 79 CB THR A 11 36.238 23.853 18.836 1.00 42.49 C ATOM 80 OG1 THR A 11 35.634 23.205 19.928 1.00 48.42 O ATOM 81 CG2 THR A 11 35.125 24.347 17.904 1.00 30.03 C ATOM 0 H THR A 11 37.424 23.295 16.288 1.00 27.91 H new ATOM 0 HA THR A 11 37.739 22.509 18.815 1.00 25.69 H new ATOM 0 HB THR A 11 36.782 24.615 19.090 1.00 42.49 H new ATOM 0 HG1 THR A 11 36.139 23.254 20.597 1.00 48.42 H new ATOM 0 HG21 THR A 11 34.598 25.023 18.359 1.00 30.03 H new ATOM 0 HG22 THR A 11 35.518 24.729 17.104 1.00 30.03 H new ATOM 0 HG23 THR A 11 34.553 23.603 17.659 1.00 30.03 H new ATOM 82 N ASN A 12 35.942 20.758 18.688 1.00 31.38 N ATOM 83 CA ASN A 12 35.087 19.651 18.401 1.00 35.56 C ATOM 84 C ASN A 12 33.722 19.678 19.133 1.00 46.77 C ATOM 85 O ASN A 12 33.367 20.621 19.844 1.00 47.95 O ATOM 86 CB ASN A 12 35.802 18.309 18.577 1.00 35.13 C ATOM 87 CG ASN A 12 35.777 17.891 20.045 1.00 55.33 C ATOM 88 OD1 ASN A 12 35.209 18.556 20.950 1.00 42.19 O ATOM 89 ND2 ASN A 12 36.510 16.832 20.301 1.00 44.96 N ATOM 0 H ASN A 12 36.232 20.800 19.497 1.00 31.38 H new ATOM 0 HA ASN A 12 34.867 19.751 17.462 1.00 35.56 H new ATOM 0 HB2 ASN A 12 35.372 17.631 18.033 1.00 35.13 H new ATOM 0 HB3 ASN A 12 36.719 18.380 18.269 1.00 35.13 H new ATOM 0 HD21 ASN A 12 36.617 16.569 21.113 1.00 44.96 H new ATOM 0 HD22 ASN A 12 36.883 16.402 19.657 1.00 44.96 H new ATOM 90 N ASP A 13 33.008 18.562 18.920 1.00 51.50 N ATOM 91 CA ASP A 13 31.687 18.187 19.413 1.00 56.23 C ATOM 92 C ASP A 13 31.686 17.804 20.891 1.00 67.01 C ATOM 93 O ASP A 13 30.709 18.034 21.631 1.00 68.48 O ATOM 94 CB ASP A 13 31.111 17.035 18.570 0.00 58.06 C ATOM 95 CG ASP A 13 32.179 16.105 18.062 0.00 68.12 C ATOM 96 OD1 ASP A 13 33.105 15.857 18.955 0.00 74.00 O ATOM 97 OD2 ASP A 13 32.183 15.644 16.936 0.00 68.61 O ATOM 0 H ASP A 13 33.331 17.938 18.424 1.00 51.50 H new ATOM 0 HA ASP A 13 31.125 18.973 19.326 1.00 56.23 H new ATOM 0 HB2 ASP A 13 30.476 16.533 19.104 0.00 58.06 H new ATOM 0 HB3 ASP A 13 30.621 17.402 17.818 0.00 58.06 H new ATOM 98 N LEU A 14 32.796 17.211 21.332 1.00 59.91 N ATOM 99 CA LEU A 14 32.907 16.903 22.733 1.00 57.43 C ATOM 100 C LEU A 14 33.366 18.145 23.537 1.00 56.16 C ATOM 101 O LEU A 14 33.453 18.081 24.758 1.00 52.65 O ATOM 102 CB LEU A 14 33.851 15.714 22.992 0.00 57.53 C ATOM 103 CG LEU A 14 33.649 14.563 22.016 0.00 62.43 C ATOM 104 CD1 LEU A 14 34.691 13.479 22.267 0.00 62.65 C ATOM 105 CD2 LEU A 14 32.248 13.985 22.175 0.00 64.96 C ATOM 0 H LEU A 14 33.470 16.989 20.846 1.00 59.91 H new ATOM 0 HA LEU A 14 32.023 16.644 23.037 1.00 57.43 H new ATOM 0 HB2 LEU A 14 34.770 16.020 22.936 0.00 57.53 H new ATOM 0 HB3 LEU A 14 33.714 15.391 23.896 0.00 57.53 H new ATOM 0 HG LEU A 14 33.752 14.896 21.111 0.00 62.43 H new ATOM 0 HD11 LEU A 14 34.556 12.749 21.642 0.00 62.65 H new ATOM 0 HD12 LEU A 14 35.579 13.849 22.145 0.00 62.65 H new ATOM 0 HD13 LEU A 14 34.601 13.148 23.174 0.00 62.65 H new ATOM 0 HD21 LEU A 14 32.127 13.253 21.550 0.00 64.96 H new ATOM 0 HD22 LEU A 14 32.133 13.659 23.081 0.00 64.96 H new ATOM 0 HD23 LEU A 14 31.591 14.675 21.995 0.00 64.96 H new ATOM 106 N GLY A 15 33.722 19.287 22.907 1.00 47.73 N ATOM 107 CA GLY A 15 34.235 20.356 23.759 1.00 46.04 C ATOM 108 C GLY A 15 35.787 20.309 23.983 1.00 56.47 C ATOM 109 O GLY A 15 36.329 20.786 24.985 1.00 62.78 O ATOM 0 H GLY A 15 33.677 19.446 22.063 1.00 47.73 H new ATOM 0 HA2 GLY A 15 34.001 21.211 23.365 1.00 46.04 H new ATOM 0 HA3 GLY A 15 33.792 20.310 24.621 1.00 46.04 H new ATOM 110 N SER A 16 36.569 19.716 23.068 1.00 40.57 N ATOM 111 CA SER A 16 38.013 19.734 23.223 1.00 33.24 C ATOM 112 C SER A 16 38.532 20.721 22.212 1.00 31.41 C ATOM 113 O SER A 16 37.866 20.978 21.233 1.00 29.69 O ATOM 114 CB SER A 16 38.616 18.428 22.791 1.00 39.49 C ATOM 115 OG SER A 16 38.005 17.368 23.489 1.00 47.27 O ATOM 0 H SER A 16 36.282 19.308 22.367 1.00 40.57 H new ATOM 0 HA SER A 16 38.228 19.930 24.148 1.00 33.24 H new ATOM 0 HB2 SER A 16 38.498 18.308 21.836 1.00 39.49 H new ATOM 0 HB3 SER A 16 39.571 18.431 22.961 1.00 39.49 H new ATOM 0 HG SER A 16 38.343 16.639 23.244 1.00 47.27 H new ATOM 116 N ASN A 17 39.726 21.246 22.392 1.00 27.39 N ATOM 117 CA ASN A 17 40.259 22.160 21.412 1.00 26.01 C ATOM 118 C ASN A 17 41.676 21.747 21.048 1.00 33.53 C ATOM 119 O ASN A 17 42.351 21.029 21.796 1.00 33.48 O ATOM 120 CB ASN A 17 40.287 23.599 21.979 1.00 34.82 C ATOM 121 CG ASN A 17 38.887 24.018 22.356 1.00 66.65 C ATOM 122 OD1 ASN A 17 37.954 23.825 21.558 1.00 65.11 O ATOM 123 ND2 ASN A 17 38.702 24.423 23.612 1.00 52.32 N ATOM 0 H ASN A 17 40.237 21.089 23.065 1.00 27.39 H new ATOM 0 HA ASN A 17 39.692 22.136 20.625 1.00 26.01 H new ATOM 0 HB2 ASN A 17 40.867 23.640 22.755 1.00 34.82 H new ATOM 0 HB3 ASN A 17 40.651 24.210 21.320 1.00 34.82 H new ATOM 0 HD21 ASN A 17 37.906 24.564 23.906 1.00 52.32 H new ATOM 0 HD22 ASN A 17 39.379 24.544 24.129 1.00 52.32 H new ATOM 124 N MET A 18 42.117 22.221 19.897 1.00 25.76 N ATOM 125 CA MET A 18 43.459 22.013 19.453 1.00 27.97 C ATOM 126 C MET A 18 43.980 23.205 18.630 1.00 29.53 C ATOM 127 O MET A 18 43.249 23.953 17.986 1.00 32.01 O ATOM 128 CB MET A 18 43.756 20.617 18.838 1.00 31.86 C ATOM 129 CG MET A 18 43.056 20.373 17.499 1.00 35.62 C ATOM 130 SD MET A 18 43.538 18.846 16.570 1.00 36.25 S ATOM 131 CE MET A 18 42.648 19.116 15.022 1.00 30.70 C ATOM 0 H MET A 18 41.633 22.677 19.352 1.00 25.76 H new ATOM 0 HA MET A 18 43.994 21.985 20.262 1.00 27.97 H new ATOM 0 HB2 MET A 18 44.714 20.524 18.715 1.00 31.86 H new ATOM 0 HB3 MET A 18 43.483 19.931 19.467 1.00 31.86 H new ATOM 0 HG2 MET A 18 42.100 20.340 17.659 1.00 35.62 H new ATOM 0 HG3 MET A 18 43.221 21.139 16.928 1.00 35.62 H new ATOM 0 HE1 MET A 18 42.812 18.373 14.420 1.00 30.70 H new ATOM 0 HE2 MET A 18 41.697 19.181 15.202 1.00 30.70 H new ATOM 0 HE3 MET A 18 42.956 19.939 14.611 1.00 30.70 H new ATOM 132 N THR A 19 45.287 23.348 18.646 1.00 28.21 N ATOM 133 CA THR A 19 45.966 24.390 17.930 1.00 31.36 C ATOM 134 C THR A 19 47.026 23.692 17.088 1.00 32.55 C ATOM 135 O THR A 19 47.806 22.874 17.572 1.00 28.34 O ATOM 136 CB THR A 19 46.639 25.387 18.950 1.00 41.88 C ATOM 137 OG1 THR A 19 45.709 25.930 19.841 1.00 33.83 O ATOM 138 CG2 THR A 19 47.328 26.550 18.265 1.00 29.43 C ATOM 0 H THR A 19 45.813 22.828 19.085 1.00 28.21 H new ATOM 0 HA THR A 19 45.359 24.906 17.376 1.00 31.36 H new ATOM 0 HB THR A 19 47.293 24.850 19.423 1.00 41.88 H new ATOM 0 HG1 THR A 19 46.099 26.453 20.369 1.00 33.83 H new ATOM 0 HG21 THR A 19 47.724 27.131 18.933 1.00 29.43 H new ATOM 0 HG22 THR A 19 48.022 26.214 17.677 1.00 29.43 H new ATOM 0 HG23 THR A 19 46.679 27.050 17.746 1.00 29.43 H new ATOM 139 N ILE A 20 47.058 24.005 15.826 1.00 29.08 N ATOM 140 CA ILE A 20 48.070 23.403 15.023 1.00 28.51 C ATOM 141 C ILE A 20 48.928 24.520 14.479 1.00 35.14 C ATOM 142 O ILE A 20 48.368 25.467 13.905 1.00 37.03 O ATOM 143 CB ILE A 20 47.483 22.589 13.876 1.00 30.56 C ATOM 144 CG1 ILE A 20 46.799 21.381 14.463 1.00 31.84 C ATOM 145 CG2 ILE A 20 48.624 22.089 12.983 1.00 24.76 C ATOM 146 CD1 ILE A 20 45.808 20.747 13.493 1.00 38.70 C ATOM 0 H ILE A 20 46.523 24.545 15.424 1.00 29.08 H new ATOM 0 HA ILE A 20 48.588 22.786 15.563 1.00 28.51 H new ATOM 0 HB ILE A 20 46.864 23.133 13.364 1.00 30.56 H new ATOM 0 HG12 ILE A 20 47.467 20.724 14.714 1.00 31.84 H new ATOM 0 HG13 ILE A 20 46.334 21.638 15.275 1.00 31.84 H new ATOM 0 HG21 ILE A 20 48.258 21.570 12.250 1.00 24.76 H new ATOM 0 HG22 ILE A 20 49.114 22.847 12.628 1.00 24.76 H new ATOM 0 HG23 ILE A 20 49.224 21.533 13.505 1.00 24.76 H new ATOM 0 HD11 ILE A 20 45.393 19.976 13.911 1.00 38.70 H new ATOM 0 HD12 ILE A 20 45.124 21.394 13.259 1.00 38.70 H new ATOM 0 HD13 ILE A 20 46.275 20.466 12.690 1.00 38.70 H new ATOM 147 N GLY A 21 50.251 24.394 14.655 1.00 30.69 N ATOM 148 CA GLY A 21 51.207 25.369 14.157 1.00 32.35 C ATOM 149 C GLY A 21 51.374 25.328 12.582 1.00 39.27 C ATOM 150 O GLY A 21 50.569 24.801 11.808 1.00 30.45 O ATOM 0 H GLY A 21 50.612 23.733 15.070 1.00 30.69 H new ATOM 0 HA2 GLY A 21 50.923 26.257 14.424 1.00 32.35 H new ATOM 0 HA3 GLY A 21 52.069 25.210 14.572 1.00 32.35 H new ATOM 151 N ALA A 22 52.457 25.864 12.058 1.00 34.53 N ATOM 152 CA ALA A 22 52.582 25.832 10.620 1.00 36.11 C ATOM 153 C ALA A 22 53.019 24.479 10.026 1.00 36.05 C ATOM 154 O ALA A 22 53.780 23.683 10.565 1.00 35.69 O ATOM 155 CB ALA A 22 53.558 26.909 10.223 1.00 37.96 C ATOM 0 H ALA A 22 53.101 26.234 12.491 1.00 34.53 H new ATOM 0 HA ALA A 22 51.695 25.980 10.256 1.00 36.11 H new ATOM 0 HB1 ALA A 22 53.663 26.912 9.259 1.00 37.96 H new ATOM 0 HB2 ALA A 22 53.224 27.772 10.514 1.00 37.96 H new ATOM 0 HB3 ALA A 22 54.417 26.738 10.641 1.00 37.96 H new ATOM 156 N VAL A 23 52.511 24.218 8.853 1.00 34.06 N ATOM 157 CA VAL A 23 52.870 23.003 8.128 1.00 36.19 C ATOM 158 C VAL A 23 54.141 23.181 7.246 1.00 45.63 C ATOM 159 O VAL A 23 54.196 23.944 6.281 1.00 42.02 O ATOM 160 CB VAL A 23 51.664 22.597 7.276 1.00 34.67 C ATOM 161 CG1 VAL A 23 51.969 21.335 6.466 1.00 28.48 C ATOM 162 CG2 VAL A 23 50.477 22.416 8.237 1.00 34.70 C ATOM 0 H VAL A 23 51.951 24.727 8.445 1.00 34.06 H new ATOM 0 HA VAL A 23 53.092 22.308 8.767 1.00 36.19 H new ATOM 0 HB VAL A 23 51.448 23.278 6.620 1.00 34.67 H new ATOM 0 HG11 VAL A 23 51.193 21.096 5.935 1.00 28.48 H new ATOM 0 HG12 VAL A 23 52.723 21.501 5.879 1.00 28.48 H new ATOM 0 HG13 VAL A 23 52.184 20.607 7.070 1.00 28.48 H new ATOM 0 HG21 VAL A 23 49.689 22.157 7.734 1.00 34.70 H new ATOM 0 HG22 VAL A 23 50.687 21.725 8.885 1.00 34.70 H new ATOM 0 HG23 VAL A 23 50.305 23.251 8.700 1.00 34.70 H new ATOM 163 N ASN A 24 55.215 22.486 7.550 1.00 43.74 N ATOM 164 CA ASN A 24 56.386 22.656 6.719 1.00 39.44 C ATOM 165 C ASN A 24 56.193 22.103 5.306 1.00 44.08 C ATOM 166 O ASN A 24 55.099 21.632 4.935 1.00 35.40 O ATOM 167 CB ASN A 24 57.661 22.160 7.392 1.00 27.38 C ATOM 168 CG ASN A 24 57.763 20.661 7.506 1.00 38.08 C ATOM 169 OD1 ASN A 24 57.176 19.853 6.740 1.00 41.32 O ATOM 170 ND2 ASN A 24 58.566 20.286 8.474 1.00 32.83 N ATOM 0 H ASN A 24 55.290 21.933 8.204 1.00 43.74 H new ATOM 0 HA ASN A 24 56.505 23.612 6.609 1.00 39.44 H new ATOM 0 HB2 ASN A 24 58.425 22.488 6.893 1.00 27.38 H new ATOM 0 HB3 ASN A 24 57.715 22.545 8.281 1.00 27.38 H new ATOM 0 HD21 ASN A 24 58.714 19.450 8.611 1.00 32.83 H new ATOM 0 HD22 ASN A 24 58.945 20.876 8.972 1.00 32.83 H new ATOM 171 N SER A 25 57.286 22.234 4.545 1.00 44.70 N ATOM 172 CA SER A 25 57.396 21.858 3.136 1.00 45.91 C ATOM 173 C SER A 25 57.125 20.390 2.970 1.00 51.56 C ATOM 174 O SER A 25 56.342 19.982 2.091 1.00 57.47 O ATOM 175 CB SER A 25 58.785 22.193 2.599 1.00 50.08 C ATOM 176 OG SER A 25 58.850 21.894 1.229 1.00 79.43 O ATOM 0 H SER A 25 58.018 22.561 4.856 1.00 44.70 H new ATOM 0 HA SER A 25 56.738 22.362 2.632 1.00 45.91 H new ATOM 0 HB2 SER A 25 58.979 23.132 2.743 1.00 50.08 H new ATOM 0 HB3 SER A 25 59.458 21.687 3.081 1.00 50.08 H new ATOM 0 HG SER A 25 59.615 22.081 0.937 1.00 79.43 H new ATOM 177 N ARG A 26 57.764 19.620 3.863 1.00 41.82 N ATOM 178 CA ARG A 26 57.625 18.171 3.915 1.00 40.41 C ATOM 179 C ARG A 26 56.198 17.722 4.261 1.00 37.82 C ATOM 180 O ARG A 26 55.876 16.568 4.126 1.00 38.67 O ATOM 181 CB ARG A 26 58.575 17.582 4.963 1.00 40.00 C ATOM 182 CG ARG A 26 60.075 17.726 4.675 1.00 48.63 C ATOM 183 CD ARG A 26 60.985 17.534 5.914 1.00 45.72 C ATOM 184 NE ARG A 26 61.276 18.760 6.647 0.00 54.72 N ATOM 185 CZ ARG A 26 62.091 18.802 7.699 0.00 68.95 C ATOM 186 NH1 ARG A 26 62.703 17.714 8.157 0.00 56.30 N ATOM 187 NH2 ARG A 26 62.301 19.965 8.306 0.00 55.71 N ATOM 0 H ARG A 26 58.296 19.937 4.460 1.00 41.82 H new ATOM 0 HA ARG A 26 57.843 17.848 3.027 1.00 40.41 H new ATOM 0 HB2 ARG A 26 58.387 18.003 5.816 1.00 40.00 H new ATOM 0 HB3 ARG A 26 58.373 16.638 5.062 1.00 40.00 H new ATOM 0 HG2 ARG A 26 60.327 17.078 3.998 1.00 48.63 H new ATOM 0 HG3 ARG A 26 60.238 18.606 4.300 1.00 48.63 H new ATOM 0 HD2 ARG A 26 60.562 16.903 6.517 1.00 45.72 H new ATOM 0 HD3 ARG A 26 61.822 17.136 5.628 1.00 45.72 H new ATOM 0 HE ARG A 26 60.904 19.491 6.388 0.00 54.72 H new ATOM 0 HH11 ARG A 26 62.577 16.956 7.772 0.00 56.30 H new ATOM 0 HH12 ARG A 26 63.225 17.769 8.839 0.00 56.30 H new ATOM 0 HH21 ARG A 26 61.913 20.676 8.018 0.00 55.71 H new ATOM 0 HH22 ARG A 26 62.825 20.006 8.987 0.00 55.71 H new ATOM 188 N GLY A 27 55.353 18.611 4.767 1.00 32.01 N ATOM 189 CA GLY A 27 54.012 18.231 5.159 1.00 30.14 C ATOM 190 C GLY A 27 53.918 18.004 6.692 1.00 34.47 C ATOM 191 O GLY A 27 52.853 17.595 7.234 1.00 30.92 O ATOM 0 H GLY A 27 55.541 19.441 4.890 1.00 32.01 H new ATOM 0 HA2 GLY A 27 53.386 18.923 4.893 1.00 30.14 H new ATOM 0 HA3 GLY A 27 53.754 17.420 4.693 1.00 30.14 H new ATOM 192 N GLU A 28 55.002 18.362 7.406 1.00 29.86 N ATOM 193 CA GLU A 28 54.969 18.203 8.865 1.00 29.66 C ATOM 194 C GLU A 28 54.412 19.313 9.771 1.00 31.81 C ATOM 195 O GLU A 28 54.519 20.505 9.490 1.00 29.96 O ATOM 196 CB GLU A 28 56.265 17.640 9.370 1.00 30.93 C ATOM 197 CG GLU A 28 56.953 16.840 8.268 1.00 55.00 C ATOM 198 CD GLU A 28 58.405 16.707 8.572 1.00 69.97 C ATOM 199 OE1 GLU A 28 58.957 17.433 9.370 1.00 63.11 O ATOM 200 OE2 GLU A 28 59.006 15.790 7.862 1.00 56.23 O ATOM 0 H GLU A 28 55.730 18.683 7.081 1.00 29.86 H new ATOM 0 HA GLU A 28 54.240 17.570 8.960 1.00 29.66 H new ATOM 0 HB2 GLU A 28 56.844 18.359 9.667 1.00 30.93 H new ATOM 0 HB3 GLU A 28 56.101 17.071 10.138 1.00 30.93 H new ATOM 0 HG2 GLU A 28 56.548 15.962 8.193 1.00 55.00 H new ATOM 0 HG3 GLU A 28 56.832 17.282 7.413 1.00 55.00 H new ATOM 201 N PHE A 29 53.791 18.913 10.900 1.00 29.69 N ATOM 202 CA PHE A 29 53.242 19.899 11.852 1.00 26.05 C ATOM 203 C PHE A 29 53.215 19.411 13.257 1.00 27.35 C ATOM 204 O PHE A 29 53.266 18.195 13.508 1.00 26.82 O ATOM 205 CB PHE A 29 51.830 20.364 11.552 1.00 25.99 C ATOM 206 CG PHE A 29 50.854 19.239 11.425 1.00 26.72 C ATOM 207 CD1 PHE A 29 50.165 18.790 12.553 1.00 30.82 C ATOM 208 CD2 PHE A 29 50.589 18.656 10.175 1.00 24.59 C ATOM 209 CE1 PHE A 29 49.234 17.755 12.428 1.00 31.70 C ATOM 210 CE2 PHE A 29 49.699 17.594 10.035 1.00 25.91 C ATOM 211 CZ PHE A 29 49.014 17.166 11.172 1.00 28.36 C ATOM 0 H PHE A 29 53.680 18.091 11.128 1.00 29.69 H new ATOM 0 HA PHE A 29 53.861 20.638 11.743 1.00 26.05 H new ATOM 0 HB2 PHE A 29 51.536 20.962 12.257 1.00 25.99 H new ATOM 0 HB3 PHE A 29 51.833 20.877 10.729 1.00 25.99 H new ATOM 0 HD1 PHE A 29 50.325 19.177 13.383 1.00 30.82 H new ATOM 0 HD2 PHE A 29 51.019 18.988 9.420 1.00 24.59 H new ATOM 0 HE1 PHE A 29 48.763 17.458 13.173 1.00 31.70 H new ATOM 0 HE2 PHE A 29 49.566 17.184 9.211 1.00 25.91 H new ATOM 0 HZ PHE A 29 48.397 16.474 11.097 1.00 28.36 H new ATOM 212 N THR A 30 53.063 20.396 14.142 1.00 28.87 N ATOM 213 CA THR A 30 52.965 20.186 15.585 1.00 31.44 C ATOM 214 C THR A 30 51.860 21.066 16.157 1.00 30.64 C ATOM 215 O THR A 30 51.404 22.008 15.528 1.00 30.90 O ATOM 216 CB THR A 30 54.288 20.495 16.371 1.00 47.86 C ATOM 217 OG1 THR A 30 55.365 20.013 15.634 1.00 79.73 O ATOM 218 CG2 THR A 30 54.317 19.805 17.737 1.00 37.39 C ATOM 0 H THR A 30 53.013 21.224 13.914 1.00 28.87 H new ATOM 0 HA THR A 30 52.775 19.242 15.699 1.00 31.44 H new ATOM 0 HB THR A 30 54.336 21.455 16.504 1.00 47.86 H new ATOM 0 HG1 THR A 30 56.080 20.174 16.044 1.00 79.73 H new ATOM 0 HG21 THR A 30 55.147 20.019 18.190 1.00 37.39 H new ATOM 0 HG22 THR A 30 53.568 20.113 18.271 1.00 37.39 H new ATOM 0 HG23 THR A 30 54.254 18.845 17.616 1.00 37.39 H new ATOM 219 N GLY A 31 51.482 20.814 17.416 1.00 27.75 N ATOM 220 CA GLY A 31 50.440 21.614 18.003 1.00 26.88 C ATOM 221 C GLY A 31 50.201 21.108 19.387 1.00 29.44 C ATOM 222 O GLY A 31 51.007 20.381 19.972 1.00 26.17 O ATOM 0 H GLY A 31 51.812 20.202 17.922 1.00 27.75 H new ATOM 0 HA2 GLY A 31 50.699 22.549 18.023 1.00 26.88 H new ATOM 0 HA3 GLY A 31 49.628 21.556 17.475 1.00 26.88 H new ATOM 223 N THR A 32 49.067 21.493 19.906 1.00 30.17 N ATOM 224 CA THR A 32 48.742 21.128 21.259 1.00 29.87 C ATOM 225 C THR A 32 47.313 20.697 21.288 1.00 30.46 C ATOM 226 O THR A 32 46.487 21.313 20.606 1.00 28.53 O ATOM 227 CB THR A 32 48.773 22.427 22.111 1.00 39.71 C ATOM 228 OG1 THR A 32 50.097 22.895 22.311 1.00 40.16 O ATOM 229 CG2 THR A 32 48.068 22.172 23.440 1.00 41.60 C ATOM 0 H THR A 32 48.473 21.963 19.499 1.00 30.17 H new ATOM 0 HA THR A 32 49.350 20.443 21.578 1.00 29.87 H new ATOM 0 HB THR A 32 48.304 23.126 21.629 1.00 39.71 H new ATOM 0 HG1 THR A 32 50.080 23.597 22.772 1.00 40.16 H new ATOM 0 HG21 THR A 32 48.085 22.980 23.976 1.00 41.60 H new ATOM 0 HG22 THR A 32 47.148 21.914 23.274 1.00 41.60 H new ATOM 0 HG23 THR A 32 48.523 21.460 23.916 1.00 41.60 H new ATOM 230 N TYR A 33 47.040 19.708 22.128 1.00 26.63 N ATOM 231 CA TYR A 33 45.680 19.203 22.326 1.00 29.41 C ATOM 232 C TYR A 33 45.197 19.550 23.741 1.00 32.07 C ATOM 233 O TYR A 33 45.834 19.166 24.701 1.00 28.72 O ATOM 234 CB TYR A 33 45.610 17.682 22.134 1.00 27.70 C ATOM 235 CG TYR A 33 44.254 17.186 21.706 1.00 27.62 C ATOM 236 CD1 TYR A 33 43.928 17.076 20.345 1.00 28.02 C ATOM 237 CD2 TYR A 33 43.315 16.789 22.661 1.00 27.07 C ATOM 238 CE1 TYR A 33 42.697 16.549 19.921 1.00 24.61 C ATOM 239 CE2 TYR A 33 42.074 16.281 22.257 1.00 31.83 C ATOM 240 CZ TYR A 33 41.775 16.158 20.895 1.00 27.34 C ATOM 241 OH TYR A 33 40.565 15.681 20.517 1.00 30.69 O ATOM 0 H TYR A 33 47.636 19.308 22.602 1.00 26.63 H new ATOM 0 HA TYR A 33 45.110 19.624 21.663 1.00 29.41 H new ATOM 0 HB2 TYR A 33 46.266 17.418 21.470 1.00 27.70 H new ATOM 0 HB3 TYR A 33 45.856 17.248 22.966 1.00 27.70 H new ATOM 0 HD1 TYR A 33 44.543 17.359 19.708 1.00 28.02 H new ATOM 0 HD2 TYR A 33 43.514 16.862 23.566 1.00 27.07 H new ATOM 0 HE1 TYR A 33 42.501 16.463 19.016 1.00 24.61 H new ATOM 0 HE2 TYR A 33 41.447 16.025 22.895 1.00 31.83 H new ATOM 0 HH TYR A 33 40.670 15.000 20.037 1.00 30.69 H new ATOM 242 N ILE A 34 44.070 20.283 23.821 1.00 33.18 N ATOM 243 CA ILE A 34 43.496 20.746 25.074 1.00 39.57 C ATOM 244 C ILE A 34 42.167 20.057 25.300 1.00 45.93 C ATOM 245 O ILE A 34 41.286 20.170 24.443 1.00 41.21 O ATOM 246 CB ILE A 34 43.306 22.272 25.084 1.00 44.10 C ATOM 247 CG1 ILE A 34 44.665 22.957 25.089 1.00 45.79 C ATOM 248 CG2 ILE A 34 42.518 22.686 26.322 0.00 44.77 C ATOM 249 CD1 ILE A 34 44.593 24.425 24.686 0.00 52.65 C ATOM 0 H ILE A 34 43.619 20.523 23.129 1.00 33.18 H new ATOM 0 HA ILE A 34 44.111 20.524 25.790 1.00 39.57 H new ATOM 0 HB ILE A 34 42.816 22.538 24.290 1.00 44.10 H new ATOM 0 HG12 ILE A 34 45.053 22.889 25.975 1.00 45.79 H new ATOM 0 HG13 ILE A 34 45.260 22.489 24.482 1.00 45.79 H new ATOM 0 HG21 ILE A 34 42.401 23.649 26.324 0.00 44.77 H new ATOM 0 HG22 ILE A 34 41.649 22.255 26.312 0.00 44.77 H new ATOM 0 HG23 ILE A 34 43.002 22.418 27.119 0.00 44.77 H new ATOM 0 HD11 ILE A 34 45.483 24.810 24.706 0.00 52.65 H new ATOM 0 HD12 ILE A 34 44.230 24.497 23.789 0.00 52.65 H new ATOM 0 HD13 ILE A 34 44.020 24.903 25.306 0.00 52.65 H new ATOM 250 N THR A 35 42.036 19.343 26.431 1.00 47.46 N ATOM 251 CA THR A 35 40.798 18.590 26.690 1.00 50.22 C ATOM 252 C THR A 35 40.137 18.678 28.070 1.00 52.46 C ATOM 253 O THR A 35 40.766 19.133 29.006 1.00 56.46 O ATOM 254 CB THR A 35 41.040 17.141 26.381 1.00 50.58 C ATOM 255 OG1 THR A 35 39.760 16.541 26.389 1.00 72.65 O ATOM 256 CG2 THR A 35 41.891 16.667 27.539 1.00 40.62 C ATOM 0 H THR A 35 42.635 19.283 27.045 1.00 47.46 H new ATOM 0 HA THR A 35 40.159 19.033 26.110 1.00 50.22 H new ATOM 0 HB THR A 35 41.476 16.944 25.537 1.00 50.58 H new ATOM 0 HG1 THR A 35 39.833 15.722 26.219 1.00 72.65 H new ATOM 0 HG21 THR A 35 42.100 15.727 27.424 1.00 40.62 H new ATOM 0 HG22 THR A 35 42.714 17.180 27.567 1.00 40.62 H new ATOM 0 HG23 THR A 35 41.405 16.790 28.370 1.00 40.62 H new ATOM 257 N ALA A 36 38.901 18.209 28.196 0.00 49.66 N ATOM 258 CA ALA A 36 38.229 18.263 29.482 0.00 49.74 C ATOM 259 C ALA A 36 37.577 16.949 29.885 0.00 54.04 C ATOM 260 O ALA A 36 36.960 16.850 30.945 0.00 53.58 O ATOM 261 CB ALA A 36 37.229 19.407 29.527 0.00 50.47 C ATOM 0 H ALA A 36 38.441 17.861 27.558 0.00 49.66 H new ATOM 0 HA ALA A 36 38.923 18.428 30.140 0.00 49.74 H new ATOM 0 HB1 ALA A 36 36.794 19.423 30.394 0.00 50.47 H new ATOM 0 HB2 ALA A 36 37.692 20.247 29.383 0.00 50.47 H new ATOM 0 HB3 ALA A 36 36.563 19.282 28.833 0.00 50.47 H new ATOM 262 N VAL A 37 37.715 15.938 29.032 0.00 50.92 N ATOM 263 CA VAL A 37 37.132 14.638 29.304 0.00 50.85 C ATOM 264 C VAL A 37 37.991 13.493 28.794 0.00 54.37 C ATOM 265 O VAL A 37 38.504 13.531 27.677 0.00 53.93 O ATOM 266 CB VAL A 37 35.708 14.534 28.769 0.00 54.96 C ATOM 267 CG1 VAL A 37 35.192 15.917 28.389 0.00 54.80 C ATOM 268 CG2 VAL A 37 35.675 13.615 27.555 0.00 54.81 C ATOM 0 H VAL A 37 38.145 15.989 28.289 0.00 50.92 H new ATOM 0 HA VAL A 37 37.095 14.556 30.270 0.00 50.85 H new ATOM 0 HB VAL A 37 35.137 14.164 29.461 0.00 54.96 H new ATOM 0 HG11 VAL A 37 34.286 15.843 28.050 0.00 54.80 H new ATOM 0 HG12 VAL A 37 35.198 16.491 29.171 0.00 54.80 H new ATOM 0 HG13 VAL A 37 35.763 16.299 27.704 0.00 54.80 H new ATOM 0 HG21 VAL A 37 34.767 13.553 27.220 0.00 54.81 H new ATOM 0 HG22 VAL A 37 36.251 13.973 26.862 0.00 54.81 H new ATOM 0 HG23 VAL A 37 35.986 12.732 27.809 0.00 54.81 H new ATOM 269 N THR A 38 38.132 12.468 29.632 0.00 50.58 N ATOM 270 CA THR A 38 38.915 11.294 29.299 0.00 50.17 C ATOM 271 C THR A 38 39.059 10.351 30.483 0.00 53.22 C ATOM 272 O THR A 38 38.843 9.147 30.366 0.00 52.79 O ATOM 273 CB THR A 38 40.294 11.657 28.717 0.00 58.50 C ATOM 274 OG1 THR A 38 40.938 10.493 28.239 0.00 58.16 O ATOM 275 CG2 THR A 38 41.150 12.324 29.786 0.00 57.18 C ATOM 0 H THR A 38 37.772 12.439 30.413 0.00 50.58 H new ATOM 0 HA THR A 38 38.421 10.827 28.607 0.00 50.17 H new ATOM 0 HB THR A 38 40.172 12.275 27.979 0.00 58.50 H new ATOM 0 HG1 THR A 38 41.688 10.698 27.922 0.00 58.16 H new ATOM 0 HG21 THR A 38 42.016 12.550 29.413 0.00 57.18 H new ATOM 0 HG22 THR A 38 40.711 13.132 30.095 0.00 57.18 H new ATOM 0 HG23 THR A 38 41.268 11.716 30.532 0.00 57.18 H new ATOM 276 N ALA A 39 39.433 10.917 31.629 0.00 49.05 N ATOM 277 CA ALA A 39 39.614 10.135 32.837 0.00 48.43 C ATOM 278 C ALA A 39 39.803 10.993 34.080 0.00 50.67 C ATOM 279 O ALA A 39 39.202 10.735 35.122 0.00 50.22 O ATOM 280 CB ALA A 39 40.756 9.145 32.677 0.00 49.22 C ATOM 0 H ALA A 39 39.586 11.758 31.723 0.00 49.05 H new ATOM 0 HA ALA A 39 38.791 9.640 32.970 0.00 48.43 H new ATOM 0 HB1 ALA A 39 40.859 8.634 33.495 0.00 49.22 H new ATOM 0 HB2 ALA A 39 40.562 8.542 31.942 0.00 49.22 H new ATOM 0 HB3 ALA A 39 41.578 9.626 32.491 0.00 49.22 H new ATOM 281 N THR A 40 40.649 12.016 33.968 0.00 45.88 N ATOM 282 CA THR A 40 40.928 12.908 35.082 0.00 44.99 C ATOM 283 C THR A 40 41.912 14.002 34.687 0.00 46.89 C ATOM 284 O THR A 40 42.509 13.935 33.613 0.00 46.46 O ATOM 285 CB THR A 40 41.400 12.118 36.318 0.00 53.22 C ATOM 286 OG1 THR A 40 40.420 12.172 37.334 0.00 52.86 O ATOM 287 CG2 THR A 40 42.731 12.651 36.833 0.00 51.88 C ATOM 0 H THR A 40 41.074 12.209 33.246 0.00 45.88 H new ATOM 0 HA THR A 40 40.101 13.352 35.325 0.00 44.99 H new ATOM 0 HB THR A 40 41.530 11.193 36.056 0.00 53.22 H new ATOM 0 HG1 THR A 40 40.685 11.738 38.003 0.00 52.86 H new ATOM 0 HG21 THR A 40 43.006 12.139 37.609 0.00 51.88 H new ATOM 0 HG22 THR A 40 43.403 12.570 36.138 0.00 51.88 H new ATOM 0 HG23 THR A 40 42.632 13.584 37.080 0.00 51.88 H new ATOM 288 N SER A 41 42.085 15.018 35.539 0.00 41.76 N ATOM 289 CA SER A 41 43.001 16.089 35.190 0.00 40.70 C ATOM 290 C SER A 41 43.234 17.139 36.276 0.00 42.15 C ATOM 291 O SER A 41 44.373 17.421 36.647 0.00 41.65 O ATOM 292 CB SER A 41 42.536 16.762 33.911 0.00 44.32 C ATOM 293 OG SER A 41 42.969 16.024 32.785 0.00 53.17 O ATOM 0 H SER A 41 41.692 15.099 36.299 0.00 41.76 H new ATOM 0 HA SER A 41 43.862 15.658 35.071 0.00 40.70 H new ATOM 0 HB2 SER A 41 41.569 16.832 33.908 0.00 44.32 H new ATOM 0 HB3 SER A 41 42.886 17.666 33.868 0.00 44.32 H new ATOM 0 HG SER A 41 42.706 16.403 32.083 0.00 53.17 H new ATOM 294 N ASN A 42 42.128 17.711 36.745 0.00 36.87 N ATOM 295 CA ASN A 42 41.997 18.779 37.736 1.00 35.76 C ATOM 296 C ASN A 42 40.849 19.623 37.156 1.00 55.40 C ATOM 297 O ASN A 42 39.720 19.603 37.645 0.00 55.02 O ATOM 298 CB ASN A 42 43.280 19.618 37.931 0.00 36.68 C ATOM 299 CG ASN A 42 43.881 20.160 36.646 0.00 59.92 C ATOM 300 OD1 ASN A 42 43.347 21.098 36.037 0.00 54.31 O ATOM 301 ND2 ASN A 42 45.011 19.586 36.242 0.00 51.85 N ATOM 0 H ASN A 42 41.356 17.458 36.462 0.00 36.87 H new ATOM 0 HA ASN A 42 41.831 18.432 38.626 1.00 35.76 H new ATOM 0 HB2 ASN A 42 43.079 20.362 38.520 0.00 36.68 H new ATOM 0 HB3 ASN A 42 43.944 19.072 38.380 0.00 36.68 H new ATOM 0 HD21 ASN A 42 45.403 19.864 35.529 0.00 51.85 H new ATOM 0 HD22 ASN A 42 45.349 18.937 36.694 0.00 51.85 H new ATOM 302 N GLU A 43 41.182 20.346 36.057 1.00 63.10 N ATOM 303 CA GLU A 43 40.296 21.175 35.174 1.00 68.13 C ATOM 304 C GLU A 43 40.643 21.022 33.650 1.00 71.42 C ATOM 305 O GLU A 43 40.129 20.083 32.987 1.00 71.43 O ATOM 306 CB GLU A 43 39.941 22.637 35.586 1.00 69.85 C ATOM 307 CG GLU A 43 38.775 23.230 34.775 0.00 80.25 C ATOM 308 CD GLU A 43 37.554 22.356 34.783 0.00100.00 C ATOM 309 OE1 GLU A 43 37.047 22.200 35.981 0.00 93.88 O ATOM 310 OE2 GLU A 43 37.096 21.841 33.780 0.00 94.14 O ATOM 0 H GLU A 43 41.997 20.368 35.784 1.00 63.10 H new ATOM 0 HA GLU A 43 39.440 20.753 35.347 1.00 68.13 H new ATOM 0 HB2 GLU A 43 39.713 22.655 36.529 1.00 69.85 H new ATOM 0 HB3 GLU A 43 40.724 23.198 35.473 1.00 69.85 H new ATOM 0 HG2 GLU A 43 38.546 24.101 35.136 0.00 80.25 H new ATOM 0 HG3 GLU A 43 39.062 23.369 33.859 0.00 80.25 H new ATOM 311 N ILE A 44 41.534 21.901 33.097 1.00 60.36 N ATOM 312 CA ILE A 44 41.923 21.856 31.668 1.00 56.18 C ATOM 313 C ILE A 44 43.353 21.360 31.527 1.00 64.05 C ATOM 314 O ILE A 44 44.221 21.894 32.220 1.00 70.44 O ATOM 315 CB ILE A 44 41.654 23.157 30.862 1.00 53.50 C ATOM 316 CG1 ILE A 44 40.240 23.653 31.137 0.00 53.98 C ATOM 317 CG2 ILE A 44 41.832 22.892 29.372 0.00 54.23 C ATOM 318 CD1 ILE A 44 39.651 24.449 29.976 0.00 61.43 C ATOM 0 H ILE A 44 41.919 22.528 33.543 1.00 60.36 H new ATOM 0 HA ILE A 44 41.326 21.216 31.251 1.00 56.18 H new ATOM 0 HB ILE A 44 42.287 23.838 31.139 1.00 53.50 H new ATOM 0 HG12 ILE A 44 39.667 22.893 31.325 0.00 53.98 H new ATOM 0 HG13 ILE A 44 40.246 24.208 31.933 0.00 53.98 H new ATOM 0 HG21 ILE A 44 41.663 23.708 28.876 0.00 54.23 H new ATOM 0 HG22 ILE A 44 42.739 22.593 29.202 0.00 54.23 H new ATOM 0 HG23 ILE A 44 41.208 22.206 29.088 0.00 54.23 H new ATOM 0 HD11 ILE A 44 38.754 24.739 30.204 0.00 61.43 H new ATOM 0 HD12 ILE A 44 40.206 25.225 29.801 0.00 61.43 H new ATOM 0 HD13 ILE A 44 39.618 23.890 29.184 0.00 61.43 H new ATOM 319 N LYS A 45 43.593 20.348 30.655 1.00 54.91 N ATOM 320 CA LYS A 45 44.946 19.792 30.416 1.00 53.44 C ATOM 321 C LYS A 45 45.427 19.885 28.951 1.00 48.49 C ATOM 322 O LYS A 45 44.635 19.758 27.988 1.00 45.96 O ATOM 323 CB LYS A 45 45.406 18.505 31.189 1.00 55.14 C ATOM 324 CG LYS A 45 44.700 18.205 32.522 1.00 49.95 C ATOM 325 CD LYS A 45 45.582 18.407 33.755 1.00 53.52 C ATOM 326 CE LYS A 45 46.027 17.098 34.386 0.00 64.88 C ATOM 327 NZ LYS A 45 47.221 16.528 33.745 0.00 74.37 N ATOM 0 H LYS A 45 42.976 19.970 30.190 1.00 54.91 H new ATOM 0 HA LYS A 45 45.467 20.441 30.914 1.00 53.44 H new ATOM 0 HB2 LYS A 45 45.283 17.741 30.604 1.00 55.14 H new ATOM 0 HB3 LYS A 45 46.358 18.580 31.361 1.00 55.14 H new ATOM 0 HG2 LYS A 45 43.919 18.775 32.598 1.00 49.95 H new ATOM 0 HG3 LYS A 45 44.383 17.288 32.510 1.00 49.95 H new ATOM 0 HD2 LYS A 45 46.365 18.923 33.506 1.00 53.52 H new ATOM 0 HD3 LYS A 45 45.096 18.929 34.413 1.00 53.52 H new ATOM 0 HE2 LYS A 45 46.210 17.244 35.327 0.00 64.88 H new ATOM 0 HE3 LYS A 45 45.301 16.457 34.335 0.00 64.88 H new ATOM 0 HZ1 LYS A 45 47.440 15.766 34.149 0.00 74.37 H new ATOM 0 HZ2 LYS A 45 47.050 16.369 32.886 0.00 74.37 H new ATOM 0 HZ3 LYS A 45 47.897 17.103 33.811 0.00 74.37 H new ATOM 328 N GLU A 46 46.751 20.084 28.822 1.00 32.91 N ATOM 329 CA GLU A 46 47.330 20.281 27.558 1.00 30.47 C ATOM 330 C GLU A 46 48.416 19.270 27.239 1.00 37.87 C ATOM 331 O GLU A 46 49.247 18.973 28.078 1.00 38.87 O ATOM 332 CB GLU A 46 47.735 21.760 27.494 1.00 31.19 C ATOM 333 CG GLU A 46 48.938 22.097 26.582 1.00 64.23 C ATOM 334 CD GLU A 46 49.413 23.554 26.561 1.00 55.65 C ATOM 335 OE1 GLU A 46 48.445 24.434 26.669 1.00 64.16 O ATOM 336 OE2 GLU A 46 50.584 23.861 26.445 0.00 49.72 O ATOM 0 H GLU A 46 47.305 20.103 29.479 1.00 32.91 H new ATOM 0 HA GLU A 46 46.702 20.107 26.840 1.00 30.47 H new ATOM 0 HB2 GLU A 46 46.969 22.273 27.192 1.00 31.19 H new ATOM 0 HB3 GLU A 46 47.940 22.060 28.393 1.00 31.19 H new ATOM 0 HG2 GLU A 46 49.685 21.541 26.852 1.00 64.23 H new ATOM 0 HG3 GLU A 46 48.708 21.842 25.675 1.00 64.23 H new ATOM 337 N SER A 47 48.333 18.683 26.023 1.00 29.38 N ATOM 338 CA SER A 47 49.298 17.707 25.480 1.00 24.47 C ATOM 339 C SER A 47 49.680 18.030 24.049 1.00 26.06 C ATOM 340 O SER A 47 48.945 18.679 23.320 1.00 31.24 O ATOM 341 CB SER A 47 48.956 16.254 25.668 1.00 26.20 C ATOM 342 OG SER A 47 48.350 16.011 26.955 1.00 40.16 O ATOM 0 H SER A 47 47.690 18.852 25.478 1.00 29.38 H new ATOM 0 HA SER A 47 50.081 17.821 26.041 1.00 24.47 H new ATOM 0 HB2 SER A 47 48.350 15.970 24.966 1.00 26.20 H new ATOM 0 HB3 SER A 47 49.760 15.718 25.582 1.00 26.20 H new ATOM 0 HG SER A 47 47.929 15.285 26.934 1.00 40.16 H new ATOM 343 N PRO A 48 50.898 17.699 23.708 1.00 25.00 N ATOM 344 CA PRO A 48 51.437 17.963 22.386 1.00 27.29 C ATOM 345 C PRO A 48 50.959 16.923 21.376 1.00 30.68 C ATOM 346 O PRO A 48 50.661 15.747 21.724 1.00 28.71 O ATOM 347 CB PRO A 48 52.973 17.777 22.539 1.00 24.44 C ATOM 348 CG PRO A 48 53.143 16.900 23.766 1.00 25.34 C ATOM 349 CD PRO A 48 51.889 17.020 24.591 1.00 21.19 C ATOM 0 HA PRO A 48 51.166 18.841 22.076 1.00 27.29 H new ATOM 0 HB2 PRO A 48 53.356 17.358 21.752 1.00 24.44 H new ATOM 0 HB3 PRO A 48 53.420 18.630 22.652 1.00 24.44 H new ATOM 0 HG2 PRO A 48 53.293 15.977 23.507 1.00 25.34 H new ATOM 0 HG3 PRO A 48 53.917 17.180 24.280 1.00 25.34 H new ATOM 0 HD2 PRO A 48 51.569 16.148 24.870 1.00 21.19 H new ATOM 0 HD3 PRO A 48 52.049 17.535 25.398 1.00 21.19 H new ATOM 350 N LEU A 49 50.908 17.365 20.131 1.00 30.00 N ATOM 351 CA LEU A 49 50.552 16.499 18.973 1.00 30.98 C ATOM 352 C LEU A 49 51.561 16.689 17.850 1.00 30.07 C ATOM 353 O LEU A 49 52.173 17.749 17.730 1.00 30.91 O ATOM 354 CB LEU A 49 49.104 16.627 18.497 1.00 27.92 C ATOM 355 CG LEU A 49 48.861 17.991 17.906 1.00 26.53 C ATOM 356 CD1 LEU A 49 49.144 17.885 16.423 1.00 21.32 C ATOM 357 CD2 LEU A 49 47.407 18.411 18.132 1.00 27.91 C ATOM 0 H LEU A 49 51.077 18.180 19.914 1.00 30.00 H new ATOM 0 HA LEU A 49 50.604 15.583 19.288 1.00 30.98 H new ATOM 0 HB2 LEU A 49 48.914 15.943 17.836 1.00 27.92 H new ATOM 0 HB3 LEU A 49 48.499 16.478 19.241 1.00 27.92 H new ATOM 0 HG LEU A 49 49.431 18.656 18.323 1.00 26.53 H new ATOM 0 HD11 LEU A 49 48.998 18.747 16.003 1.00 21.32 H new ATOM 0 HD12 LEU A 49 50.065 17.611 16.288 1.00 21.32 H new ATOM 0 HD13 LEU A 49 48.550 17.228 16.026 1.00 21.32 H new ATOM 0 HD21 LEU A 49 47.260 19.290 17.748 1.00 27.91 H new ATOM 0 HD22 LEU A 49 46.815 17.770 17.707 1.00 27.91 H new ATOM 0 HD23 LEU A 49 47.222 18.439 19.084 1.00 27.91 H new ATOM 358 N HIS A 50 51.811 15.619 17.135 1.00 25.27 N ATOM 359 CA HIS A 50 52.796 15.517 16.036 1.00 30.89 C ATOM 360 C HIS A 50 52.124 14.805 14.864 1.00 30.97 C ATOM 361 O HIS A 50 51.569 13.695 15.021 1.00 26.52 O ATOM 362 CB HIS A 50 54.184 14.857 16.363 1.00 34.93 C ATOM 363 CG HIS A 50 54.784 15.438 17.633 1.00 45.17 C ATOM 364 ND1 HIS A 50 54.332 15.072 18.919 1.00 47.34 N ATOM 365 CD2 HIS A 50 55.755 16.399 17.810 1.00 50.20 C ATOM 366 CE1 HIS A 50 55.034 15.777 19.814 1.00 48.22 C ATOM 367 NE2 HIS A 50 55.900 16.571 19.184 1.00 49.94 N ATOM 0 H HIS A 50 51.396 14.878 17.271 1.00 25.27 H new ATOM 0 HA HIS A 50 53.045 16.432 15.831 1.00 30.89 H new ATOM 0 HB2 HIS A 50 54.073 13.899 16.464 1.00 34.93 H new ATOM 0 HB3 HIS A 50 54.794 14.996 15.621 1.00 34.93 H new ATOM 0 HD2 HIS A 50 56.223 16.846 17.142 1.00 50.20 H new ATOM 0 HE1 HIS A 50 54.933 15.721 20.737 1.00 48.22 H new ATOM 0 HE2 HIS A 50 56.458 17.103 19.565 1.00 49.94 H new ATOM 368 N GLY A 51 52.152 15.484 13.712 1.00 28.83 N ATOM 369 CA GLY A 51 51.505 14.883 12.552 1.00 33.43 C ATOM 370 C GLY A 51 52.024 15.304 11.183 1.00 36.15 C ATOM 371 O GLY A 51 53.016 16.034 11.004 1.00 30.93 O ATOM 0 H GLY A 51 52.520 16.251 13.587 1.00 28.83 H new ATOM 0 HA2 GLY A 51 51.589 13.919 12.624 1.00 33.43 H new ATOM 0 HA3 GLY A 51 50.558 15.089 12.593 1.00 33.43 H new ATOM 372 N THR A 52 51.321 14.760 10.236 1.00 32.75 N ATOM 373 CA THR A 52 51.644 14.966 8.874 1.00 33.20 C ATOM 374 C THR A 52 50.417 15.156 7.976 1.00 33.38 C ATOM 375 O THR A 52 49.355 14.585 8.194 1.00 29.18 O ATOM 376 CB THR A 52 52.493 13.733 8.465 1.00 43.38 C ATOM 377 OG1 THR A 52 53.190 14.071 7.317 1.00 63.86 O ATOM 378 CG2 THR A 52 51.685 12.485 8.172 1.00 28.66 C ATOM 0 H THR A 52 50.637 14.256 10.370 1.00 32.75 H new ATOM 0 HA THR A 52 52.134 15.795 8.759 1.00 33.20 H new ATOM 0 HB THR A 52 53.066 13.520 9.218 1.00 43.38 H new ATOM 0 HG1 THR A 52 53.661 13.420 7.073 1.00 63.86 H new ATOM 0 HG21 THR A 52 52.283 11.763 7.925 1.00 28.66 H new ATOM 0 HG22 THR A 52 51.182 12.232 8.962 1.00 28.66 H new ATOM 0 HG23 THR A 52 51.072 12.660 7.441 1.00 28.66 H new ATOM 379 N GLU A 53 50.583 15.966 6.933 1.00 26.90 N ATOM 380 CA GLU A 53 49.554 16.195 5.929 1.00 25.54 C ATOM 381 C GLU A 53 50.023 15.520 4.641 1.00 27.48 C ATOM 382 O GLU A 53 51.200 15.612 4.298 1.00 26.24 O ATOM 383 CB GLU A 53 49.454 17.709 5.753 1.00 28.62 C ATOM 384 CG GLU A 53 48.498 18.204 4.693 1.00 38.87 C ATOM 385 CD GLU A 53 48.533 19.717 4.545 1.00 32.73 C ATOM 386 OE1 GLU A 53 48.333 20.486 5.464 1.00 65.86 O ATOM 387 OE2 GLU A 53 48.550 20.086 3.302 1.00 61.66 O ATOM 0 H GLU A 53 51.309 16.404 6.789 1.00 26.90 H new ATOM 0 HA GLU A 53 48.687 15.836 6.175 1.00 25.54 H new ATOM 0 HB2 GLU A 53 49.192 18.097 6.603 1.00 28.62 H new ATOM 0 HB3 GLU A 53 50.339 18.050 5.547 1.00 28.62 H new ATOM 0 HG2 GLU A 53 48.720 17.793 3.843 1.00 38.87 H new ATOM 0 HG3 GLU A 53 47.597 17.924 4.917 1.00 38.87 H new ATOM 388 N ASN A 54 49.178 14.727 3.977 1.00 27.70 N ATOM 389 CA ASN A 54 49.651 14.089 2.748 1.00 25.38 C ATOM 390 C ASN A 54 49.682 15.137 1.643 1.00 31.24 C ATOM 391 O ASN A 54 48.714 15.801 1.371 1.00 33.32 O ATOM 392 CB ASN A 54 48.761 12.926 2.305 1.00 29.88 C ATOM 393 CG ASN A 54 49.291 12.158 1.118 1.00 39.71 C ATOM 394 OD1 ASN A 54 49.578 10.940 1.206 1.00 35.04 O ATOM 395 ND2 ASN A 54 49.324 12.868 -0.013 1.00 26.58 N ATOM 0 H ASN A 54 48.368 14.552 4.206 1.00 27.70 H new ATOM 0 HA ASN A 54 50.533 13.726 2.923 1.00 25.38 H new ATOM 0 HB2 ASN A 54 48.651 12.315 3.050 1.00 29.88 H new ATOM 0 HB3 ASN A 54 47.881 13.270 2.088 1.00 29.88 H new ATOM 0 HD21 ASN A 54 49.555 12.491 -0.751 1.00 26.58 H new ATOM 0 HD22 ASN A 54 49.114 13.702 -0.003 1.00 26.58 H new ATOM 396 N THR A 55 50.819 15.277 1.034 1.00 29.95 N ATOM 397 CA THR A 55 51.027 16.278 -0.004 1.00 39.40 C ATOM 398 C THR A 55 50.953 15.775 -1.482 1.00 43.32 C ATOM 399 O THR A 55 51.066 16.573 -2.402 1.00 43.77 O ATOM 400 CB THR A 55 52.350 17.062 0.303 1.00 43.13 C ATOM 401 OG1 THR A 55 52.493 18.135 -0.589 1.00 82.61 O ATOM 402 CG2 THR A 55 53.569 16.150 0.145 1.00 27.04 C ATOM 0 H THR A 55 51.512 14.795 1.202 1.00 29.95 H new ATOM 0 HA THR A 55 50.262 16.873 0.040 1.00 39.40 H new ATOM 0 HB THR A 55 52.297 17.385 1.216 1.00 43.13 H new ATOM 0 HG1 THR A 55 52.170 17.924 -1.335 1.00 82.61 H new ATOM 0 HG21 THR A 55 54.376 16.652 0.339 1.00 27.04 H new ATOM 0 HG22 THR A 55 53.497 15.404 0.761 1.00 27.04 H new ATOM 0 HG23 THR A 55 53.607 15.815 -0.765 1.00 27.04 H new ATOM 403 N ILE A 56 50.766 14.478 -1.708 1.00 36.89 N ATOM 404 CA ILE A 56 50.701 13.885 -3.032 1.00 35.05 C ATOM 405 C ILE A 56 49.602 14.499 -3.868 1.00 36.22 C ATOM 406 O ILE A 56 48.490 14.702 -3.430 1.00 31.17 O ATOM 407 CB ILE A 56 50.584 12.379 -2.937 1.00 40.44 C ATOM 408 CG1 ILE A 56 51.749 11.776 -2.110 1.00 44.37 C ATOM 409 CG2 ILE A 56 50.436 11.739 -4.306 1.00 31.41 C ATOM 410 CD1 ILE A 56 53.149 12.147 -2.603 1.00 38.92 C ATOM 0 H ILE A 56 50.671 13.905 -1.074 1.00 36.89 H new ATOM 0 HA ILE A 56 51.532 14.082 -3.493 1.00 35.05 H new ATOM 0 HB ILE A 56 49.768 12.173 -2.456 1.00 40.44 H new ATOM 0 HG12 ILE A 56 51.658 12.065 -1.189 1.00 44.37 H new ATOM 0 HG13 ILE A 56 51.665 10.810 -2.114 1.00 44.37 H new ATOM 0 HG21 ILE A 56 50.364 10.777 -4.207 1.00 31.41 H new ATOM 0 HG22 ILE A 56 49.637 12.080 -4.738 1.00 31.41 H new ATOM 0 HG23 ILE A 56 51.212 11.951 -4.848 1.00 31.41 H new ATOM 0 HD11 ILE A 56 53.814 11.730 -2.033 1.00 38.92 H new ATOM 0 HD12 ILE A 56 53.264 11.836 -3.514 1.00 38.92 H new ATOM 0 HD13 ILE A 56 53.257 13.111 -2.575 1.00 38.92 H new ATOM 411 N ASN A 57 49.944 14.872 -5.112 1.00 39.24 N ATOM 412 CA ASN A 57 49.028 15.556 -6.038 1.00 35.81 C ATOM 413 C ASN A 57 48.621 16.909 -5.522 1.00 38.13 C ATOM 414 O ASN A 57 47.640 17.481 -5.961 1.00 34.69 O ATOM 415 CB ASN A 57 47.826 14.727 -6.550 1.00 31.72 C ATOM 416 CG ASN A 57 48.362 13.596 -7.430 1.00 39.57 C ATOM 417 OD1 ASN A 57 49.373 13.712 -8.124 1.00 47.58 O ATOM 418 ND2 ASN A 57 47.890 12.411 -7.183 1.00 38.03 N ATOM 0 H ASN A 57 50.725 14.732 -5.444 1.00 39.24 H new ATOM 0 HA ASN A 57 49.559 15.682 -6.840 1.00 35.81 H new ATOM 0 HB2 ASN A 57 47.323 14.365 -5.804 1.00 31.72 H new ATOM 0 HB3 ASN A 57 47.218 15.289 -7.055 1.00 31.72 H new ATOM 0 HD21 ASN A 57 48.283 11.716 -7.503 1.00 38.03 H new ATOM 0 HD22 ASN A 57 47.185 12.321 -6.699 1.00 38.03 H new ATOM 419 N LYS A 58 49.360 17.440 -4.563 1.00 37.68 N ATOM 420 CA LYS A 58 48.949 18.729 -4.053 1.00 42.78 C ATOM 421 C LYS A 58 47.394 18.918 -4.028 1.00 44.86 C ATOM 422 O LYS A 58 46.783 19.871 -4.572 1.00 39.14 O ATOM 423 CB LYS A 58 49.753 19.849 -4.718 1.00 52.95 C ATOM 424 CG LYS A 58 51.212 19.869 -4.292 0.00 67.78 C ATOM 425 CD LYS A 58 52.072 18.904 -5.091 0.00 77.95 C ATOM 426 CE LYS A 58 53.426 18.647 -4.451 0.00 89.09 C ATOM 427 NZ LYS A 58 53.443 17.444 -3.607 0.00 98.47 N ATOM 0 H LYS A 58 50.064 17.093 -4.211 1.00 37.68 H new ATOM 0 HA LYS A 58 49.173 18.777 -3.110 1.00 42.78 H new ATOM 0 HB2 LYS A 58 49.704 19.747 -5.681 1.00 52.95 H new ATOM 0 HB3 LYS A 58 49.347 20.703 -4.503 1.00 52.95 H new ATOM 0 HG2 LYS A 58 51.562 20.768 -4.394 0.00 67.78 H new ATOM 0 HG3 LYS A 58 51.273 19.646 -3.350 0.00 67.78 H new ATOM 0 HD2 LYS A 58 51.600 18.062 -5.188 0.00 77.95 H new ATOM 0 HD3 LYS A 58 52.204 19.259 -5.984 0.00 77.95 H new ATOM 0 HE2 LYS A 58 54.095 18.557 -5.147 0.00 89.09 H new ATOM 0 HE3 LYS A 58 53.676 19.416 -3.915 0.00 89.09 H new ATOM 0 HZ1 LYS A 58 54.254 17.338 -3.257 0.00 98.47 H new ATOM 0 HZ2 LYS A 58 52.847 17.532 -2.952 0.00 98.47 H new ATOM 0 HZ3 LYS A 58 53.238 16.732 -4.100 0.00 98.47 H new ATOM 428 N ARG A 59 46.717 17.996 -3.315 1.00 38.58 N ATOM 429 CA ARG A 59 45.276 18.055 -3.209 1.00 35.65 C ATOM 430 C ARG A 59 44.790 19.224 -2.373 1.00 38.79 C ATOM 431 O ARG A 59 45.443 19.704 -1.432 1.00 40.56 O ATOM 432 CB ARG A 59 44.682 16.717 -2.753 1.00 46.93 C ATOM 433 CG ARG A 59 44.963 15.557 -3.723 1.00 57.26 C ATOM 434 CD ARG A 59 44.033 15.563 -4.955 1.00 51.03 C ATOM 435 NE ARG A 59 42.880 14.652 -4.836 1.00 82.91 N ATOM 436 CZ ARG A 59 41.600 14.944 -5.096 1.00 90.05 C ATOM 437 NH1 ARG A 59 41.211 16.147 -5.498 0.00 77.22 N ATOM 438 NH2 ARG A 59 40.681 13.996 -4.932 0.00 76.63 N ATOM 0 H ARG A 59 47.084 17.341 -2.895 1.00 38.58 H new ATOM 0 HA ARG A 59 44.942 18.220 -4.105 1.00 35.65 H new ATOM 0 HB2 ARG A 59 45.041 16.493 -1.880 1.00 46.93 H new ATOM 0 HB3 ARG A 59 43.723 16.816 -2.648 1.00 46.93 H new ATOM 0 HG2 ARG A 59 45.885 15.606 -4.020 1.00 57.26 H new ATOM 0 HG3 ARG A 59 44.861 14.716 -3.251 1.00 57.26 H new ATOM 0 HD2 ARG A 59 43.708 16.465 -5.100 1.00 51.03 H new ATOM 0 HD3 ARG A 59 44.548 15.318 -5.740 1.00 51.03 H new ATOM 0 HE ARG A 59 43.047 13.851 -4.572 1.00 82.91 H new ATOM 0 HH11 ARG A 59 41.790 16.774 -5.600 0.00 77.22 H new ATOM 0 HH12 ARG A 59 40.380 16.300 -5.656 0.00 77.22 H new ATOM 0 HH21 ARG A 59 40.914 13.213 -4.664 0.00 76.63 H new ATOM 0 HH22 ARG A 59 39.854 14.166 -5.094 0.00 76.63 H new ATOM 439 N THR A 60 43.594 19.662 -2.719 1.00 37.52 N ATOM 440 CA THR A 60 42.927 20.775 -2.045 1.00 37.64 C ATOM 441 C THR A 60 42.283 20.388 -0.701 1.00 35.96 C ATOM 442 O THR A 60 42.091 21.185 0.224 1.00 32.46 O ATOM 443 CB THR A 60 41.878 21.259 -3.074 1.00 45.18 C ATOM 444 OG1 THR A 60 42.256 22.505 -3.627 1.00 52.52 O ATOM 445 CG2 THR A 60 40.472 21.293 -2.541 1.00 43.56 C ATOM 0 H THR A 60 43.135 19.320 -3.361 1.00 37.52 H new ATOM 0 HA THR A 60 43.560 21.466 -1.795 1.00 37.64 H new ATOM 0 HB THR A 60 41.866 20.595 -3.781 1.00 45.18 H new ATOM 0 HG1 THR A 60 41.677 22.752 -4.184 1.00 52.52 H new ATOM 0 HG21 THR A 60 39.870 21.604 -3.235 1.00 43.56 H new ATOM 0 HG22 THR A 60 40.210 20.402 -2.262 1.00 43.56 H new ATOM 0 HG23 THR A 60 40.428 21.895 -1.782 1.00 43.56 H new ATOM 446 N GLN A 61 41.912 19.126 -0.642 1.00 30.41 N ATOM 447 CA GLN A 61 41.277 18.529 0.531 1.00 32.81 C ATOM 448 C GLN A 61 42.020 17.281 0.943 1.00 32.35 C ATOM 449 O GLN A 61 41.600 16.162 0.688 1.00 32.79 O ATOM 450 CB GLN A 61 39.865 18.124 0.145 1.00 35.70 C ATOM 451 CG GLN A 61 39.002 19.353 -0.164 1.00 33.26 C ATOM 452 CD GLN A 61 37.585 18.863 -0.356 1.00 44.09 C ATOM 453 OE1 GLN A 61 36.676 19.186 0.408 1.00 44.81 O ATOM 454 NE2 GLN A 61 37.400 17.982 -1.329 1.00 54.13 N ATOM 0 H GLN A 61 42.021 18.574 -1.292 1.00 30.41 H new ATOM 0 HA GLN A 61 41.280 19.167 1.262 1.00 32.81 H new ATOM 0 HB2 GLN A 61 39.893 17.542 -0.630 1.00 35.70 H new ATOM 0 HB3 GLN A 61 39.463 17.616 0.867 1.00 35.70 H new ATOM 0 HG2 GLN A 61 39.047 19.995 0.562 1.00 33.26 H new ATOM 0 HG3 GLN A 61 39.320 19.804 -0.962 1.00 33.26 H new ATOM 0 HE21 GLN A 61 38.052 17.773 -1.850 1.00 54.13 H new ATOM 0 HE22 GLN A 61 36.628 17.619 -1.440 1.00 54.13 H new ATOM 455 N PRO A 62 43.172 17.500 1.507 1.00 27.01 N ATOM 456 CA PRO A 62 44.056 16.432 1.932 1.00 28.35 C ATOM 457 C PRO A 62 43.642 15.582 3.184 1.00 30.62 C ATOM 458 O PRO A 62 42.870 15.990 4.112 1.00 27.73 O ATOM 459 CB PRO A 62 45.369 17.157 2.262 1.00 29.05 C ATOM 460 CG PRO A 62 45.036 18.657 2.404 1.00 33.66 C ATOM 461 CD PRO A 62 43.665 18.874 1.790 1.00 28.75 C ATOM 0 HA PRO A 62 44.074 15.773 1.221 1.00 28.35 H new ATOM 0 HB2 PRO A 62 45.754 16.812 3.083 1.00 29.05 H new ATOM 0 HB3 PRO A 62 46.024 17.016 1.560 1.00 29.05 H new ATOM 0 HG2 PRO A 62 45.039 18.921 3.337 1.00 33.66 H new ATOM 0 HG3 PRO A 62 45.702 19.200 1.954 1.00 33.66 H new ATOM 0 HD2 PRO A 62 43.074 19.344 2.399 1.00 28.75 H new ATOM 0 HD3 PRO A 62 43.719 19.405 0.980 1.00 28.75 H new ATOM 462 N THR A 63 44.194 14.371 3.132 1.00 25.24 N ATOM 463 CA THR A 63 44.181 13.417 4.236 1.00 26.78 C ATOM 464 C THR A 63 45.388 13.809 5.130 1.00 25.22 C ATOM 465 O THR A 63 46.394 14.480 4.713 1.00 25.50 O ATOM 466 CB THR A 63 44.268 11.909 3.863 1.00 30.08 C ATOM 467 OG1 THR A 63 45.589 11.501 3.519 1.00 26.58 O ATOM 468 CG2 THR A 63 43.294 11.510 2.795 1.00 28.03 C ATOM 0 H THR A 63 44.598 14.075 2.433 1.00 25.24 H new ATOM 0 HA THR A 63 43.315 13.482 4.668 1.00 26.78 H new ATOM 0 HB THR A 63 44.017 11.437 4.672 1.00 30.08 H new ATOM 0 HG1 THR A 63 45.589 10.683 3.327 1.00 26.58 H new ATOM 0 HG21 THR A 63 43.393 10.564 2.604 1.00 28.03 H new ATOM 0 HG22 THR A 63 42.390 11.685 3.099 1.00 28.03 H new ATOM 0 HG23 THR A 63 43.469 12.022 1.990 1.00 28.03 H new ATOM 469 N PHE A 64 45.327 13.382 6.384 1.00 28.07 N ATOM 470 CA PHE A 64 46.349 13.663 7.409 1.00 23.57 C ATOM 471 C PHE A 64 46.204 12.650 8.543 1.00 29.34 C ATOM 472 O PHE A 64 45.224 11.925 8.641 1.00 27.81 O ATOM 473 CB PHE A 64 46.230 15.127 7.968 1.00 19.80 C ATOM 474 CG PHE A 64 44.877 15.348 8.607 1.00 24.33 C ATOM 475 CD1 PHE A 64 43.757 15.703 7.836 1.00 22.92 C ATOM 476 CD2 PHE A 64 44.710 15.105 9.982 1.00 27.71 C ATOM 477 CE1 PHE A 64 42.496 15.852 8.427 1.00 28.78 C ATOM 478 CE2 PHE A 64 43.454 15.241 10.593 1.00 25.96 C ATOM 479 CZ PHE A 64 42.361 15.651 9.814 1.00 29.07 C ATOM 0 H PHE A 64 44.674 12.906 6.679 1.00 28.07 H new ATOM 0 HA PHE A 64 47.225 13.584 7.000 1.00 23.57 H new ATOM 0 HB2 PHE A 64 46.930 15.287 8.620 1.00 19.80 H new ATOM 0 HB3 PHE A 64 46.361 15.764 7.249 1.00 19.80 H new ATOM 0 HD1 PHE A 64 43.854 15.841 6.921 1.00 22.92 H new ATOM 0 HD2 PHE A 64 45.443 14.850 10.494 1.00 27.71 H new ATOM 0 HE1 PHE A 64 41.758 16.081 7.910 1.00 28.78 H new ATOM 0 HE2 PHE A 64 43.348 15.062 11.499 1.00 25.96 H new ATOM 0 HZ PHE A 64 41.536 15.792 10.220 1.00 29.07 H new ATOM 480 N GLY A 65 47.223 12.652 9.393 1.00 28.10 N ATOM 481 CA GLY A 65 47.327 11.825 10.546 1.00 24.94 C ATOM 482 C GLY A 65 48.163 12.564 11.583 1.00 29.95 C ATOM 483 O GLY A 65 49.051 13.366 11.260 1.00 24.81 O ATOM 0 H GLY A 65 47.902 13.170 9.293 1.00 28.10 H new ATOM 0 HA2 GLY A 65 46.446 11.625 10.900 1.00 24.94 H new ATOM 0 HA3 GLY A 65 47.740 10.977 10.319 1.00 24.94 H new ATOM 484 N PHE A 66 47.815 12.313 12.846 1.00 26.77 N ATOM 485 CA PHE A 66 48.547 12.886 13.962 1.00 24.19 C ATOM 486 C PHE A 66 48.472 11.988 15.196 1.00 23.60 C ATOM 487 O PHE A 66 47.492 11.314 15.400 1.00 22.82 O ATOM 488 CB PHE A 66 48.261 14.391 14.229 1.00 19.34 C ATOM 489 CG PHE A 66 46.878 14.713 14.725 1.00 21.98 C ATOM 490 CD1 PHE A 66 46.543 14.583 16.084 1.00 23.36 C ATOM 491 CD2 PHE A 66 45.900 15.200 13.855 1.00 23.41 C ATOM 492 CE1 PHE A 66 45.276 14.927 16.576 1.00 21.55 C ATOM 493 CE2 PHE A 66 44.626 15.515 14.343 1.00 32.04 C ATOM 494 CZ PHE A 66 44.285 15.364 15.695 1.00 26.75 C ATOM 0 H PHE A 66 47.155 11.811 13.073 1.00 26.77 H new ATOM 0 HA PHE A 66 49.479 12.904 13.695 1.00 24.19 H new ATOM 0 HB2 PHE A 66 48.904 14.715 14.879 1.00 19.34 H new ATOM 0 HB3 PHE A 66 48.415 14.883 13.408 1.00 19.34 H new ATOM 0 HD1 PHE A 66 47.183 14.258 16.676 1.00 23.36 H new ATOM 0 HD2 PHE A 66 46.095 15.315 12.953 1.00 23.41 H new ATOM 0 HE1 PHE A 66 45.096 14.864 17.486 1.00 21.55 H new ATOM 0 HE2 PHE A 66 43.984 15.835 13.751 1.00 32.04 H new ATOM 0 HZ PHE A 66 43.425 15.549 15.996 1.00 26.75 H new ATOM 495 N THR A 67 49.523 12.028 15.992 1.00 21.20 N ATOM 496 CA THR A 67 49.573 11.324 17.266 1.00 23.30 C ATOM 497 C THR A 67 49.503 12.351 18.426 1.00 28.45 C ATOM 498 O THR A 67 50.129 13.421 18.408 1.00 24.81 O ATOM 499 CB THR A 67 50.879 10.514 17.416 1.00 26.31 C ATOM 500 OG1 THR A 67 51.067 9.644 16.331 1.00 27.71 O ATOM 501 CG2 THR A 67 50.792 9.680 18.685 1.00 29.66 C ATOM 0 H THR A 67 50.238 12.469 15.809 1.00 21.20 H new ATOM 0 HA THR A 67 48.820 10.714 17.295 1.00 23.30 H new ATOM 0 HB THR A 67 51.622 11.136 17.451 1.00 26.31 H new ATOM 0 HG1 THR A 67 51.783 9.217 16.435 1.00 27.71 H new ATOM 0 HG21 THR A 67 51.608 9.166 18.791 1.00 29.66 H new ATOM 0 HG22 THR A 67 50.678 10.265 19.450 1.00 29.66 H new ATOM 0 HG23 THR A 67 50.035 9.076 18.624 1.00 29.66 H new ATOM 502 N VAL A 68 48.744 12.009 19.467 1.00 28.15 N ATOM 503 CA VAL A 68 48.618 12.848 20.684 1.00 25.95 C ATOM 504 C VAL A 68 49.353 12.130 21.820 1.00 34.46 C ATOM 505 O VAL A 68 48.957 11.036 22.203 1.00 29.59 O ATOM 506 CB VAL A 68 47.213 13.059 21.212 1.00 27.65 C ATOM 507 CG1 VAL A 68 47.343 13.858 22.536 1.00 28.57 C ATOM 508 CG2 VAL A 68 46.278 13.760 20.185 1.00 25.82 C ATOM 0 H VAL A 68 48.283 11.284 19.496 1.00 28.15 H new ATOM 0 HA VAL A 68 48.968 13.714 20.423 1.00 25.95 H new ATOM 0 HB VAL A 68 46.788 12.202 21.373 1.00 27.65 H new ATOM 0 HG11 VAL A 68 46.461 14.014 22.908 1.00 28.57 H new ATOM 0 HG12 VAL A 68 47.875 13.351 23.169 1.00 28.57 H new ATOM 0 HG13 VAL A 68 47.775 14.709 22.360 1.00 28.57 H new ATOM 0 HG21 VAL A 68 45.396 13.870 20.573 1.00 25.82 H new ATOM 0 HG22 VAL A 68 46.641 14.630 19.958 1.00 25.82 H new ATOM 0 HG23 VAL A 68 46.213 13.218 19.383 1.00 25.82 H new ATOM 509 N ASN A 69 50.431 12.719 22.324 1.00 33.55 N ATOM 510 CA ASN A 69 51.204 12.121 23.411 1.00 35.89 C ATOM 511 C ASN A 69 50.678 12.507 24.809 1.00 36.66 C ATOM 512 O ASN A 69 51.192 13.454 25.426 1.00 32.96 O ATOM 513 CB ASN A 69 52.659 12.634 23.261 1.00 33.73 C ATOM 514 CG ASN A 69 53.619 11.789 24.039 1.00 29.66 C ATOM 515 OD1 ASN A 69 53.234 10.733 24.585 1.00 28.93 O ATOM 516 ND2 ASN A 69 54.853 12.238 24.022 1.00 43.43 N ATOM 0 H ASN A 69 50.736 13.474 22.048 1.00 33.55 H new ATOM 0 HA ASN A 69 51.137 11.155 23.347 1.00 35.89 H new ATOM 0 HB2 ASN A 69 52.910 12.632 22.324 1.00 33.73 H new ATOM 0 HB3 ASN A 69 52.713 13.553 23.567 1.00 33.73 H new ATOM 0 HD21 ASN A 69 55.478 11.793 24.410 1.00 43.43 H new ATOM 0 HD22 ASN A 69 55.036 12.977 23.622 1.00 43.43 H new ATOM 517 N TRP A 70 49.623 11.862 25.302 1.00 29.48 N ATOM 518 CA TRP A 70 49.120 12.330 26.577 1.00 28.00 C ATOM 519 C TRP A 70 50.150 12.513 27.722 1.00 33.21 C ATOM 520 O TRP A 70 50.961 11.667 28.060 1.00 32.17 O ATOM 521 CB TRP A 70 47.986 11.495 27.085 1.00 25.52 C ATOM 522 CG TRP A 70 47.010 11.245 26.037 1.00 28.53 C ATOM 523 CD1 TRP A 70 46.817 10.052 25.369 1.00 31.02 C ATOM 524 CD2 TRP A 70 46.052 12.179 25.560 1.00 29.39 C ATOM 525 NE1 TRP A 70 45.768 10.168 24.500 1.00 26.04 N ATOM 526 CE2 TRP A 70 45.281 11.476 24.572 1.00 30.82 C ATOM 527 CE3 TRP A 70 45.731 13.521 25.904 1.00 30.38 C ATOM 528 CZ2 TRP A 70 44.201 12.121 23.894 1.00 30.69 C ATOM 529 CZ3 TRP A 70 44.663 14.131 25.260 1.00 33.31 C ATOM 530 CH2 TRP A 70 43.925 13.440 24.241 1.00 35.16 C ATOM 0 H TRP A 70 49.212 11.198 24.941 1.00 29.48 H new ATOM 0 HA TRP A 70 48.822 13.224 26.346 1.00 28.00 H new ATOM 0 HB2 TRP A 70 48.327 10.652 27.421 1.00 25.52 H new ATOM 0 HB3 TRP A 70 47.557 11.945 27.830 1.00 25.52 H new ATOM 0 HD1 TRP A 70 47.326 9.283 25.492 1.00 31.02 H new ATOM 0 HE1 TRP A 70 45.460 9.543 23.995 1.00 26.04 H new ATOM 0 HE3 TRP A 70 46.225 13.979 26.545 1.00 30.38 H new ATOM 0 HZ2 TRP A 70 43.702 11.677 23.247 1.00 30.69 H new ATOM 0 HZ3 TRP A 70 44.423 14.999 25.492 1.00 33.31 H new ATOM 0 HH2 TRP A 70 43.241 13.888 23.799 1.00 35.16 H new ATOM 531 N LYS A 71 50.043 13.667 28.384 1.00 31.54 N ATOM 532 CA LYS A 71 50.884 14.048 29.509 1.00 30.37 C ATOM 533 C LYS A 71 50.320 13.624 30.897 1.00 38.27 C ATOM 534 O LYS A 71 51.034 13.688 31.872 1.00 41.52 O ATOM 535 CB LYS A 71 51.093 15.553 29.453 1.00 26.54 C ATOM 536 CG LYS A 71 52.226 15.934 28.519 1.00 36.23 C ATOM 537 CD LYS A 71 52.836 14.714 27.828 1.00 65.05 C ATOM 538 CE LYS A 71 54.325 14.824 27.521 1.00 45.94 C ATOM 539 NZ LYS A 71 54.996 13.514 27.396 1.00 84.86 N ATOM 0 H LYS A 71 49.459 14.265 28.181 1.00 31.54 H new ATOM 0 HA LYS A 71 51.724 13.571 29.424 1.00 30.37 H new ATOM 0 HB2 LYS A 71 50.274 15.982 29.159 1.00 26.54 H new ATOM 0 HB3 LYS A 71 51.283 15.886 30.344 1.00 26.54 H new ATOM 0 HG2 LYS A 71 51.897 16.553 27.849 1.00 36.23 H new ATOM 0 HG3 LYS A 71 52.915 16.398 29.020 1.00 36.23 H new ATOM 0 HD2 LYS A 71 52.692 13.936 28.389 1.00 65.05 H new ATOM 0 HD3 LYS A 71 52.359 14.557 26.998 1.00 65.05 H new ATOM 0 HE2 LYS A 71 54.443 15.320 26.696 1.00 45.94 H new ATOM 0 HE3 LYS A 71 54.756 15.335 28.223 1.00 45.94 H new ATOM 0 HZ1 LYS A 71 55.549 13.397 28.083 1.00 84.86 H new ATOM 0 HZ2 LYS A 71 54.385 12.866 27.394 1.00 84.86 H new ATOM 0 HZ3 LYS A 71 55.458 13.488 26.636 1.00 84.86 H new ATOM 540 N PHE A 72 49.040 13.222 31.010 1.00 31.60 N ATOM 541 CA PHE A 72 48.470 12.872 32.286 1.00 32.05 C ATOM 542 C PHE A 72 48.037 11.468 32.287 1.00 33.45 C ATOM 543 O PHE A 72 47.250 11.065 33.127 1.00 34.29 O ATOM 544 CB PHE A 72 47.251 13.761 32.605 1.00 39.51 C ATOM 545 CG PHE A 72 46.208 13.658 31.501 1.00 48.01 C ATOM 546 CD1 PHE A 72 46.323 14.424 30.336 1.00 58.63 C ATOM 547 CD2 PHE A 72 45.132 12.777 31.600 1.00 52.39 C ATOM 548 CE1 PHE A 72 45.401 14.336 29.289 1.00 59.54 C ATOM 549 CE2 PHE A 72 44.207 12.661 30.562 1.00 59.87 C ATOM 550 CZ PHE A 72 44.338 13.442 29.411 1.00 59.46 C ATOM 0 H PHE A 72 48.498 13.151 30.346 1.00 31.60 H new ATOM 0 HA PHE A 72 49.155 13.007 32.960 1.00 32.05 H new ATOM 0 HB2 PHE A 72 46.861 13.492 33.451 1.00 39.51 H new ATOM 0 HB3 PHE A 72 47.534 14.683 32.704 1.00 39.51 H new ATOM 0 HD1 PHE A 72 47.038 15.013 30.255 1.00 58.63 H new ATOM 0 HD2 PHE A 72 45.030 12.261 32.367 1.00 52.39 H new ATOM 0 HE1 PHE A 72 45.495 14.862 28.528 1.00 59.54 H new ATOM 0 HE2 PHE A 72 43.500 12.061 30.637 1.00 59.87 H new ATOM 0 HZ PHE A 72 43.715 13.365 28.725 1.00 59.46 H new ATOM 551 N SER A 73 48.545 10.708 31.344 1.00 28.33 N ATOM 552 CA SER A 73 48.190 9.316 31.317 1.00 27.34 C ATOM 553 C SER A 73 49.230 8.539 30.579 1.00 28.63 C ATOM 554 O SER A 73 50.075 9.177 29.988 1.00 31.73 O ATOM 555 CB SER A 73 46.777 9.166 30.827 1.00 27.41 C ATOM 556 OG SER A 73 46.710 8.287 29.755 1.00 38.39 O ATOM 0 H SER A 73 49.083 10.970 30.726 1.00 28.33 H new ATOM 0 HA SER A 73 48.186 8.929 32.206 1.00 27.34 H new ATOM 0 HB2 SER A 73 46.214 8.844 31.548 1.00 27.41 H new ATOM 0 HB3 SER A 73 46.430 10.032 30.561 1.00 27.41 H new ATOM 0 HG SER A 73 45.913 8.217 29.499 1.00 38.39 H new ATOM 557 N GLU A 74 49.193 7.214 30.668 1.00 27.09 N ATOM 558 CA GLU A 74 50.126 6.309 29.973 1.00 27.77 C ATOM 559 C GLU A 74 49.626 5.915 28.572 1.00 30.81 C ATOM 560 O GLU A 74 50.233 5.092 27.909 1.00 26.19 O ATOM 561 CB GLU A 74 50.329 4.970 30.693 1.00 26.30 C ATOM 562 CG GLU A 74 50.998 5.218 32.052 1.00 32.69 C ATOM 563 CD GLU A 74 50.822 4.022 32.919 1.00 48.21 C ATOM 564 OE1 GLU A 74 50.039 3.126 32.648 1.00 66.88 O ATOM 565 OE2 GLU A 74 51.530 4.094 34.006 1.00 34.79 O ATOM 0 H GLU A 74 48.611 6.798 31.146 1.00 27.09 H new ATOM 0 HA GLU A 74 50.949 6.822 29.943 1.00 27.77 H new ATOM 0 HB2 GLU A 74 49.476 4.526 30.818 1.00 26.30 H new ATOM 0 HB3 GLU A 74 50.879 4.381 30.153 1.00 26.30 H new ATOM 0 HG2 GLU A 74 51.942 5.404 31.929 1.00 32.69 H new ATOM 0 HG3 GLU A 74 50.608 5.998 32.477 1.00 32.69 H new ATOM 566 N SER A 75 48.506 6.455 28.165 1.00 25.24 N ATOM 567 CA SER A 75 47.931 6.157 26.873 1.00 29.10 C ATOM 568 C SER A 75 48.441 7.022 25.703 1.00 28.91 C ATOM 569 O SER A 75 49.010 8.066 25.861 1.00 29.30 O ATOM 570 CB SER A 75 46.438 6.458 26.959 1.00 25.30 C ATOM 571 OG SER A 75 46.057 5.728 28.042 1.00 34.97 O ATOM 0 H SER A 75 48.048 7.013 28.633 1.00 25.24 H new ATOM 0 HA SER A 75 48.170 5.235 26.690 1.00 29.10 H new ATOM 0 HB2 SER A 75 46.266 7.405 27.082 1.00 25.30 H new ATOM 0 HB3 SER A 75 45.967 6.186 26.156 1.00 25.30 H new ATOM 0 HG SER A 75 46.078 6.212 28.728 1.00 34.97 H new ATOM 572 N THR A 76 48.072 6.588 24.526 1.00 26.39 N ATOM 573 CA THR A 76 48.322 7.305 23.309 1.00 27.11 C ATOM 574 C THR A 76 47.071 7.270 22.416 1.00 31.78 C ATOM 575 O THR A 76 46.295 6.276 22.405 1.00 28.46 O ATOM 576 CB THR A 76 49.506 6.771 22.526 1.00 30.56 C ATOM 577 OG1 THR A 76 50.670 6.779 23.334 1.00 24.17 O ATOM 578 CG2 THR A 76 49.637 7.554 21.185 1.00 19.10 C ATOM 0 H THR A 76 47.656 5.845 24.409 1.00 26.39 H new ATOM 0 HA THR A 76 48.538 8.215 23.568 1.00 27.11 H new ATOM 0 HB THR A 76 49.371 5.842 22.282 1.00 30.56 H new ATOM 0 HG1 THR A 76 50.516 7.202 24.043 1.00 24.17 H new ATOM 0 HG21 THR A 76 50.394 7.213 20.684 1.00 19.10 H new ATOM 0 HG22 THR A 76 48.827 7.441 20.664 1.00 19.10 H new ATOM 0 HG23 THR A 76 49.772 8.496 21.372 1.00 19.10 H new ATOM 579 N THR A 77 46.854 8.352 21.668 1.00 25.28 N ATOM 580 CA THR A 77 45.702 8.335 20.759 1.00 27.22 C ATOM 581 C THR A 77 46.181 8.739 19.387 1.00 30.69 C ATOM 582 O THR A 77 47.028 9.577 19.327 1.00 31.61 O ATOM 583 CB THR A 77 44.596 9.311 21.192 1.00 25.54 C ATOM 584 OG1 THR A 77 44.225 8.917 22.487 1.00 34.31 O ATOM 585 CG2 THR A 77 43.378 9.259 20.225 1.00 21.46 C ATOM 0 H THR A 77 47.330 9.068 21.666 1.00 25.28 H new ATOM 0 HA THR A 77 45.327 7.440 20.767 1.00 27.22 H new ATOM 0 HB THR A 77 44.912 10.228 21.173 1.00 25.54 H new ATOM 0 HG1 THR A 77 43.619 9.424 22.772 1.00 34.31 H new ATOM 0 HG21 THR A 77 42.700 9.884 20.525 1.00 21.46 H new ATOM 0 HG22 THR A 77 43.665 9.498 19.330 1.00 21.46 H new ATOM 0 HG23 THR A 77 43.009 8.362 20.217 1.00 21.46 H new ATOM 586 N VAL A 78 45.703 8.107 18.328 1.00 26.78 N ATOM 587 CA VAL A 78 46.055 8.478 16.960 1.00 24.96 C ATOM 588 C VAL A 78 44.795 8.891 16.244 1.00 26.44 C ATOM 589 O VAL A 78 43.730 8.323 16.547 1.00 24.04 O ATOM 590 CB VAL A 78 46.805 7.408 16.151 1.00 24.83 C ATOM 591 CG1 VAL A 78 48.257 7.313 16.645 1.00 25.36 C ATOM 592 CG2 VAL A 78 46.097 6.026 16.104 1.00 16.87 C ATOM 0 H VAL A 78 45.159 7.443 18.379 1.00 26.78 H new ATOM 0 HA VAL A 78 46.691 9.207 17.030 1.00 24.96 H new ATOM 0 HB VAL A 78 46.804 7.697 15.225 1.00 24.83 H new ATOM 0 HG11 VAL A 78 48.729 6.637 16.134 1.00 25.36 H new ATOM 0 HG12 VAL A 78 48.695 8.171 16.529 1.00 25.36 H new ATOM 0 HG13 VAL A 78 48.264 7.071 17.584 1.00 25.36 H new ATOM 0 HG21 VAL A 78 46.628 5.408 15.578 1.00 16.87 H new ATOM 0 HG22 VAL A 78 45.999 5.682 17.005 1.00 16.87 H new ATOM 0 HG23 VAL A 78 45.221 6.124 15.699 1.00 16.87 H new ATOM 593 N PHE A 79 44.910 9.948 15.398 1.00 23.01 N ATOM 594 CA PHE A 79 43.755 10.415 14.626 1.00 23.13 C ATOM 595 C PHE A 79 44.111 10.415 13.143 1.00 27.00 C ATOM 596 O PHE A 79 45.153 10.861 12.743 1.00 27.43 O ATOM 597 CB PHE A 79 43.378 11.894 14.885 1.00 22.56 C ATOM 598 CG PHE A 79 42.773 12.247 16.228 1.00 25.89 C ATOM 599 CD1 PHE A 79 43.565 12.289 17.385 1.00 26.19 C ATOM 600 CD2 PHE A 79 41.388 12.440 16.357 1.00 24.80 C ATOM 601 CE1 PHE A 79 42.991 12.614 18.617 1.00 23.27 C ATOM 602 CE2 PHE A 79 40.783 12.760 17.575 1.00 22.48 C ATOM 603 CZ PHE A 79 41.609 12.842 18.692 1.00 19.54 C ATOM 0 H PHE A 79 45.636 10.391 15.268 1.00 23.01 H new ATOM 0 HA PHE A 79 43.032 9.823 14.885 1.00 23.13 H new ATOM 0 HB2 PHE A 79 44.178 12.430 14.769 1.00 22.56 H new ATOM 0 HB3 PHE A 79 42.752 12.167 14.196 1.00 22.56 H new ATOM 0 HD1 PHE A 79 44.474 12.100 17.332 1.00 26.19 H new ATOM 0 HD2 PHE A 79 40.852 12.351 15.602 1.00 24.80 H new ATOM 0 HE1 PHE A 79 43.520 12.678 19.379 1.00 23.27 H new ATOM 0 HE2 PHE A 79 39.868 12.912 17.637 1.00 22.48 H new ATOM 0 HZ PHE A 79 41.232 13.055 19.515 1.00 19.54 H new ATOM 604 N THR A 80 43.189 10.078 12.315 1.00 23.54 N ATOM 605 CA THR A 80 43.438 10.236 10.908 1.00 25.37 C ATOM 606 C THR A 80 42.154 10.759 10.265 1.00 27.63 C ATOM 607 O THR A 80 41.032 10.460 10.710 1.00 25.06 O ATOM 608 CB THR A 80 44.071 9.004 10.204 1.00 26.20 C ATOM 609 OG1 THR A 80 44.453 9.361 8.875 1.00 30.75 O ATOM 610 CG2 THR A 80 43.060 7.833 10.172 1.00 18.37 C ATOM 0 H THR A 80 42.419 9.759 12.527 1.00 23.54 H new ATOM 0 HA THR A 80 44.144 10.889 10.786 1.00 25.37 H new ATOM 0 HB THR A 80 44.857 8.721 10.697 1.00 26.20 H new ATOM 0 HG1 THR A 80 44.617 10.184 8.842 1.00 30.75 H new ATOM 0 HG21 THR A 80 43.463 7.069 9.731 1.00 18.37 H new ATOM 0 HG22 THR A 80 42.816 7.591 11.079 1.00 18.37 H new ATOM 0 HG23 THR A 80 42.266 8.104 9.686 1.00 18.37 H new ATOM 611 N GLY A 81 42.278 11.560 9.208 1.00 22.23 N ATOM 612 CA GLY A 81 41.052 11.982 8.563 1.00 23.23 C ATOM 613 C GLY A 81 41.298 12.791 7.312 1.00 22.86 C ATOM 614 O GLY A 81 42.336 12.726 6.695 1.00 26.09 O ATOM 0 H GLY A 81 43.013 11.851 8.870 1.00 22.23 H new ATOM 0 HA2 GLY A 81 40.524 11.200 8.339 1.00 23.23 H new ATOM 0 HA3 GLY A 81 40.528 12.509 9.186 1.00 23.23 H new ATOM 615 N GLN A 82 40.341 13.635 7.008 1.00 27.80 N ATOM 616 CA GLN A 82 40.402 14.481 5.832 1.00 30.46 C ATOM 617 C GLN A 82 39.886 15.890 6.084 1.00 30.38 C ATOM 618 O GLN A 82 38.855 16.097 6.745 1.00 25.37 O ATOM 619 CB GLN A 82 39.699 13.790 4.642 1.00 31.39 C ATOM 620 CG GLN A 82 40.107 14.407 3.298 1.00 31.02 C ATOM 621 CD GLN A 82 39.602 13.599 2.089 1.00 43.14 C ATOM 622 OE1 GLN A 82 39.136 12.451 2.197 1.00 24.52 O ATOM 623 NE2 GLN A 82 39.669 14.225 0.911 1.00 25.92 N ATOM 0 H GLN A 82 39.629 13.738 7.479 1.00 27.80 H new ATOM 0 HA GLN A 82 41.337 14.598 5.601 1.00 30.46 H new ATOM 0 HB2 GLN A 82 39.917 12.845 4.643 1.00 31.39 H new ATOM 0 HB3 GLN A 82 38.738 13.859 4.750 1.00 31.39 H new ATOM 0 HG2 GLN A 82 39.760 15.311 3.244 1.00 31.02 H new ATOM 0 HG3 GLN A 82 41.074 14.471 3.257 1.00 31.02 H new ATOM 0 HE21 GLN A 82 39.996 15.019 0.864 1.00 25.92 H new ATOM 0 HE22 GLN A 82 39.385 13.834 0.200 1.00 25.92 H new ATOM 624 N CYS A 83 40.657 16.842 5.566 1.00 34.80 N ATOM 625 CA CYS A 83 40.373 18.287 5.672 1.00 35.80 C ATOM 626 C CYS A 83 39.416 18.681 4.553 1.00 34.57 C ATOM 627 O CYS A 83 39.887 18.809 3.460 1.00 35.07 O ATOM 628 CB CYS A 83 41.679 19.100 5.492 1.00 35.84 C ATOM 629 SG CYS A 83 41.604 20.829 6.123 1.00 44.04 S ATOM 0 H CYS A 83 41.379 16.669 5.131 1.00 34.80 H new ATOM 0 HA CYS A 83 39.988 18.471 6.543 1.00 35.80 H new ATOM 0 HB2 CYS A 83 42.400 18.635 5.944 1.00 35.84 H new ATOM 0 HB3 CYS A 83 41.904 19.123 4.549 1.00 35.84 H new ATOM 630 N PHE A 84 38.093 18.769 4.808 1.00 27.93 N ATOM 631 CA PHE A 84 37.074 19.108 3.851 1.00 26.98 C ATOM 632 C PHE A 84 36.665 20.589 3.947 1.00 41.06 C ATOM 633 O PHE A 84 37.000 21.340 4.873 1.00 35.65 O ATOM 634 CB PHE A 84 35.778 18.254 4.014 1.00 28.17 C ATOM 635 CG PHE A 84 35.857 16.788 3.671 1.00 32.19 C ATOM 636 CD1 PHE A 84 35.897 16.353 2.344 1.00 36.26 C ATOM 637 CD2 PHE A 84 35.901 15.822 4.677 1.00 29.47 C ATOM 638 CE1 PHE A 84 35.967 14.999 2.015 1.00 37.35 C ATOM 639 CE2 PHE A 84 35.902 14.463 4.367 1.00 27.85 C ATOM 640 CZ PHE A 84 35.952 14.049 3.039 1.00 29.30 C ATOM 0 H PHE A 84 37.771 18.621 5.592 1.00 27.93 H new ATOM 0 HA PHE A 84 37.476 18.922 2.988 1.00 26.98 H new ATOM 0 HB2 PHE A 84 35.485 18.330 4.936 1.00 28.17 H new ATOM 0 HB3 PHE A 84 35.087 18.653 3.463 1.00 28.17 H new ATOM 0 HD1 PHE A 84 35.876 16.984 1.661 1.00 36.26 H new ATOM 0 HD2 PHE A 84 35.930 16.089 5.567 1.00 29.47 H new ATOM 0 HE1 PHE A 84 36.023 14.732 1.126 1.00 37.35 H new ATOM 0 HE2 PHE A 84 35.869 13.832 5.049 1.00 27.85 H new ATOM 0 HZ PHE A 84 35.975 13.142 2.834 1.00 29.30 H new ATOM 641 N ILE A 85 35.895 20.982 2.942 1.00 50.32 N ATOM 642 CA ILE A 85 35.299 22.302 2.845 1.00 57.22 C ATOM 643 C ILE A 85 33.758 22.272 2.721 1.00 70.30 C ATOM 644 O ILE A 85 33.219 22.090 1.631 1.00 77.56 O ATOM 645 CB ILE A 85 35.894 23.094 1.701 1.00 61.00 C ATOM 646 CG1 ILE A 85 37.428 23.118 1.765 1.00 60.94 C ATOM 647 CG2 ILE A 85 35.314 24.489 1.814 1.00 61.02 C ATOM 648 CD1 ILE A 85 38.015 24.523 1.847 1.00 33.98 C ATOM 0 H ILE A 85 35.700 20.471 2.278 1.00 50.32 H new ATOM 0 HA ILE A 85 35.509 22.743 3.683 1.00 57.22 H new ATOM 0 HB ILE A 85 35.676 22.689 0.847 1.00 61.00 H new ATOM 0 HG12 ILE A 85 37.720 22.608 2.537 1.00 60.94 H new ATOM 0 HG13 ILE A 85 37.784 22.673 0.980 1.00 60.94 H new ATOM 0 HG21 ILE A 85 35.664 25.044 1.100 1.00 61.02 H new ATOM 0 HG22 ILE A 85 34.348 24.444 1.744 1.00 61.02 H new ATOM 0 HG23 ILE A 85 35.558 24.873 2.671 1.00 61.02 H new ATOM 0 HD11 ILE A 85 38.983 24.468 1.885 1.00 33.98 H new ATOM 0 HD12 ILE A 85 37.751 25.031 1.064 1.00 33.98 H new ATOM 0 HD13 ILE A 85 37.686 24.965 2.645 1.00 33.98 H new ATOM 649 N ASP A 86 33.011 22.475 3.805 0.00 67.29 N ATOM 650 CA ASP A 86 31.560 22.450 3.651 1.00 67.32 C ATOM 651 C ASP A 86 30.767 23.187 4.738 1.00 70.64 C ATOM 652 O ASP A 86 31.233 23.314 5.869 0.00 70.22 O ATOM 653 CB ASP A 86 31.013 21.034 3.395 0.00 69.20 C ATOM 654 CG ASP A 86 30.779 20.752 1.936 0.00 79.07 C ATOM 655 OD1 ASP A 86 31.066 21.538 1.050 0.00 79.53 O ATOM 656 OD2 ASP A 86 30.238 19.581 1.725 0.00 84.92 O ATOM 0 H ASP A 86 33.306 22.622 4.600 0.00 67.29 H new ATOM 0 HA ASP A 86 31.409 22.973 2.848 1.00 67.32 H new ATOM 0 HB2 ASP A 86 31.637 20.382 3.750 0.00 69.20 H new ATOM 0 HB3 ASP A 86 30.180 20.922 3.879 0.00 69.20 H new ATOM 657 N ARG A 87 29.569 23.647 4.337 0.00 68.45 N ATOM 658 CA ARG A 87 28.583 24.380 5.137 0.00 68.84 C ATOM 659 C ARG A 87 28.007 25.575 4.381 0.00 74.48 C ATOM 660 O ARG A 87 26.898 26.037 4.645 0.00 74.03 O ATOM 661 CB ARG A 87 29.047 24.784 6.532 0.00 68.70 C ATOM 662 CG ARG A 87 28.452 23.912 7.631 0.00 77.37 C ATOM 663 CD ARG A 87 26.967 24.174 7.856 0.00 84.22 C ATOM 664 NE ARG A 87 26.652 25.594 7.970 0.00 89.14 N ATOM 665 CZ ARG A 87 25.611 26.176 7.382 0.00100.00 C ATOM 666 NH1 ARG A 87 24.754 25.491 6.628 0.00 87.47 N ATOM 667 NH2 ARG A 87 25.417 27.479 7.556 0.00 86.88 N ATOM 0 H ARG A 87 29.297 23.527 3.530 0.00 68.45 H new ATOM 0 HA ARG A 87 27.875 23.734 5.286 0.00 68.84 H new ATOM 0 HB2 ARG A 87 30.015 24.733 6.573 0.00 68.70 H new ATOM 0 HB3 ARG A 87 28.805 25.709 6.693 0.00 68.70 H new ATOM 0 HG2 ARG A 87 28.580 22.978 7.402 0.00 77.37 H new ATOM 0 HG3 ARG A 87 28.933 24.069 8.459 0.00 77.37 H new ATOM 0 HD2 ARG A 87 26.461 23.793 7.121 0.00 84.22 H new ATOM 0 HD3 ARG A 87 26.682 23.718 8.663 0.00 84.22 H new ATOM 0 HE ARG A 87 27.172 26.085 8.447 0.00 89.14 H new ATOM 0 HH11 ARG A 87 24.865 24.647 6.510 0.00 87.47 H new ATOM 0 HH12 ARG A 87 24.089 25.893 6.259 0.00 87.47 H new ATOM 0 HH21 ARG A 87 25.961 27.933 8.043 0.00 86.88 H new ATOM 0 HH22 ARG A 87 24.748 27.868 7.181 0.00 86.88 H new ATOM 668 N ASN A 88 28.804 26.055 3.434 1.00 72.44 N ATOM 669 CA ASN A 88 28.531 27.165 2.560 0.00 71.21 C ATOM 670 C ASN A 88 29.898 27.597 2.100 0.00 72.18 C ATOM 671 O ASN A 88 30.090 28.585 1.392 0.00 71.75 O ATOM 672 CB ASN A 88 27.798 28.309 3.282 0.00 72.13 C ATOM 673 CG ASN A 88 26.509 28.708 2.592 0.00 95.35 C ATOM 674 OD1 ASN A 88 26.241 28.298 1.453 0.00 89.75 O ATOM 675 ND2 ASN A 88 25.703 29.512 3.280 0.00 87.29 N ATOM 0 H ASN A 88 29.576 25.707 3.281 1.00 72.44 H new ATOM 0 HA ASN A 88 27.942 26.920 1.829 0.00 71.21 H new ATOM 0 HB2 ASN A 88 27.602 28.038 4.193 0.00 72.13 H new ATOM 0 HB3 ASN A 88 28.384 29.080 3.335 0.00 72.13 H new ATOM 0 HD21 ASN A 88 24.958 29.770 2.937 0.00 87.29 H new ATOM 0 HD22 ASN A 88 25.927 29.774 4.068 0.00 87.29 H new ATOM 676 N GLY A 89 30.846 26.782 2.556 1.00 66.33 N ATOM 677 CA GLY A 89 32.269 26.969 2.292 1.00 65.35 C ATOM 678 C GLY A 89 33.159 27.003 3.563 1.00 59.85 C ATOM 679 O GLY A 89 34.244 27.574 3.582 1.00 50.64 O ATOM 0 H GLY A 89 30.675 26.090 3.038 1.00 66.33 H new ATOM 0 HA2 GLY A 89 32.576 26.253 1.715 1.00 65.35 H new ATOM 0 HA3 GLY A 89 32.390 27.798 1.804 1.00 65.35 H new ATOM 680 N LYS A 90 32.674 26.375 4.629 1.00 55.84 N ATOM 681 CA LYS A 90 33.352 26.261 5.896 1.00 53.97 C ATOM 682 C LYS A 90 34.355 25.085 5.845 1.00 55.39 C ATOM 683 O LYS A 90 34.153 24.114 5.115 1.00 60.14 O ATOM 684 CB LYS A 90 32.289 25.994 6.973 1.00 55.26 C ATOM 685 CG LYS A 90 31.404 27.202 7.237 0.00 70.04 C ATOM 686 CD LYS A 90 31.973 28.489 6.662 0.00 80.22 C ATOM 687 CE LYS A 90 31.102 29.088 5.571 0.00 91.01 C ATOM 688 NZ LYS A 90 31.824 30.054 4.726 0.00100.00 N ATOM 0 H LYS A 90 31.905 25.989 4.625 1.00 55.84 H new ATOM 0 HA LYS A 90 33.841 27.075 6.097 1.00 53.97 H new ATOM 0 HB2 LYS A 90 31.736 25.247 6.697 1.00 55.26 H new ATOM 0 HB3 LYS A 90 32.728 25.733 7.798 1.00 55.26 H new ATOM 0 HG2 LYS A 90 30.526 27.043 6.856 0.00 70.04 H new ATOM 0 HG3 LYS A 90 31.284 27.306 8.194 0.00 70.04 H new ATOM 0 HD2 LYS A 90 32.080 29.137 7.376 0.00 80.22 H new ATOM 0 HD3 LYS A 90 32.857 28.314 6.303 0.00 80.22 H new ATOM 0 HE2 LYS A 90 30.754 28.375 5.013 0.00 91.01 H new ATOM 0 HE3 LYS A 90 30.339 29.528 5.978 0.00 91.01 H new ATOM 0 HZ1 LYS A 90 31.273 30.375 4.105 0.00100.00 H new ATOM 0 HZ2 LYS A 90 32.125 30.723 5.230 0.00100.00 H new ATOM 0 HZ3 LYS A 90 32.511 29.648 4.332 0.00100.00 H new ATOM 689 N GLU A 91 35.450 25.153 6.602 1.00 43.09 N ATOM 690 CA GLU A 91 36.400 24.061 6.674 1.00 40.76 C ATOM 691 C GLU A 91 36.002 23.093 7.799 1.00 42.03 C ATOM 692 O GLU A 91 35.669 23.488 8.894 1.00 41.76 O ATOM 693 CB GLU A 91 37.798 24.555 6.994 1.00 41.30 C ATOM 694 CG GLU A 91 38.736 24.811 5.803 1.00 42.93 C ATOM 695 CD GLU A 91 39.800 25.808 6.212 1.00 52.95 C ATOM 696 OE1 GLU A 91 39.540 26.705 6.971 1.00 45.37 O ATOM 697 OE2 GLU A 91 40.992 25.615 5.701 1.00 60.21 O ATOM 0 H GLU A 91 35.657 25.834 7.085 1.00 43.09 H new ATOM 0 HA GLU A 91 36.393 23.625 5.807 1.00 40.76 H new ATOM 0 HB2 GLU A 91 37.718 25.380 7.498 1.00 41.30 H new ATOM 0 HB3 GLU A 91 38.221 23.906 7.577 1.00 41.30 H new ATOM 0 HG2 GLU A 91 39.148 23.981 5.518 1.00 42.93 H new ATOM 0 HG3 GLU A 91 38.232 25.151 5.048 1.00 42.93 H new ATOM 698 N VAL A 92 36.062 21.808 7.540 1.00 35.99 N ATOM 699 CA VAL A 92 35.748 20.829 8.526 1.00 32.84 C ATOM 700 C VAL A 92 36.752 19.688 8.498 1.00 37.61 C ATOM 701 O VAL A 92 37.160 19.301 7.431 1.00 37.86 O ATOM 702 CB VAL A 92 34.416 20.241 8.129 1.00 34.37 C ATOM 703 CG1 VAL A 92 33.998 19.163 9.116 1.00 34.60 C ATOM 704 CG2 VAL A 92 33.447 21.358 8.266 1.00 36.46 C ATOM 0 H VAL A 92 36.289 21.483 6.777 1.00 35.99 H new ATOM 0 HA VAL A 92 35.750 21.238 9.405 1.00 32.84 H new ATOM 0 HB VAL A 92 34.456 19.858 7.239 1.00 34.37 H new ATOM 0 HG11 VAL A 92 33.141 18.794 8.849 1.00 34.60 H new ATOM 0 HG12 VAL A 92 34.664 18.458 9.127 1.00 34.60 H new ATOM 0 HG13 VAL A 92 33.921 19.548 10.003 1.00 34.60 H new ATOM 0 HG21 VAL A 92 32.560 21.049 8.024 1.00 36.46 H new ATOM 0 HG22 VAL A 92 33.441 21.671 9.184 1.00 36.46 H new ATOM 0 HG23 VAL A 92 33.706 22.085 7.679 1.00 36.46 H new ATOM 705 N LEU A 93 37.111 19.118 9.653 1.00 34.29 N ATOM 706 CA LEU A 93 37.946 17.910 9.722 1.00 32.01 C ATOM 707 C LEU A 93 37.055 16.755 10.207 1.00 31.25 C ATOM 708 O LEU A 93 36.444 16.781 11.261 1.00 30.42 O ATOM 709 CB LEU A 93 39.031 18.035 10.764 1.00 31.09 C ATOM 710 CG LEU A 93 40.247 18.842 10.376 1.00 38.43 C ATOM 711 CD1 LEU A 93 39.937 19.931 9.377 1.00 41.96 C ATOM 712 CD2 LEU A 93 40.945 19.329 11.633 1.00 35.28 C ATOM 0 H LEU A 93 36.876 19.422 10.422 1.00 34.29 H new ATOM 0 HA LEU A 93 38.338 17.770 8.846 1.00 32.01 H new ATOM 0 HB2 LEU A 93 38.644 18.433 11.560 1.00 31.09 H new ATOM 0 HB3 LEU A 93 39.323 17.143 11.007 1.00 31.09 H new ATOM 0 HG LEU A 93 40.868 18.270 9.899 1.00 38.43 H new ATOM 0 HD11 LEU A 93 40.750 20.416 9.164 1.00 41.96 H new ATOM 0 HD12 LEU A 93 39.576 19.535 8.568 1.00 41.96 H new ATOM 0 HD13 LEU A 93 39.286 20.542 9.756 1.00 41.96 H new ATOM 0 HD21 LEU A 93 41.727 19.848 11.389 1.00 35.28 H new ATOM 0 HD22 LEU A 93 40.337 19.883 12.147 1.00 35.28 H new ATOM 0 HD23 LEU A 93 41.217 18.567 12.168 1.00 35.28 H new ATOM 713 N LYS A 94 36.986 15.728 9.429 1.00 27.99 N ATOM 714 CA LYS A 94 36.246 14.559 9.797 1.00 29.06 C ATOM 715 C LYS A 94 37.339 13.545 10.149 1.00 33.42 C ATOM 716 O LYS A 94 38.247 13.232 9.337 1.00 31.79 O ATOM 717 CB LYS A 94 35.367 14.068 8.620 1.00 32.67 C ATOM 718 CG LYS A 94 34.132 14.924 8.366 1.00 33.60 C ATOM 719 CD LYS A 94 32.964 14.159 7.767 1.00 63.56 C ATOM 720 CE LYS A 94 31.887 13.726 8.751 1.00 56.15 C ATOM 721 NZ LYS A 94 31.211 12.484 8.350 0.00 65.24 N ATOM 0 H LYS A 94 37.369 15.680 8.661 1.00 27.99 H new ATOM 0 HA LYS A 94 35.629 14.710 10.530 1.00 29.06 H new ATOM 0 HB2 LYS A 94 35.906 14.047 7.814 1.00 32.67 H new ATOM 0 HB3 LYS A 94 35.086 13.157 8.797 1.00 32.67 H new ATOM 0 HG2 LYS A 94 33.849 15.325 9.203 1.00 33.60 H new ATOM 0 HG3 LYS A 94 34.371 15.651 7.770 1.00 33.60 H new ATOM 0 HD2 LYS A 94 32.552 14.712 7.084 1.00 63.56 H new ATOM 0 HD3 LYS A 94 33.310 13.369 7.322 1.00 63.56 H new ATOM 0 HE2 LYS A 94 32.286 13.603 9.627 1.00 56.15 H new ATOM 0 HE3 LYS A 94 31.229 14.434 8.836 1.00 56.15 H new ATOM 0 HZ1 LYS A 94 30.593 12.274 8.955 0.00 65.24 H new ATOM 0 HZ2 LYS A 94 30.823 12.600 7.557 0.00 65.24 H new ATOM 0 HZ3 LYS A 94 31.807 11.826 8.295 0.00 65.24 H new ATOM 722 N THR A 95 37.292 13.038 11.374 1.00 27.24 N ATOM 723 CA THR A 95 38.337 12.103 11.836 1.00 27.61 C ATOM 724 C THR A 95 37.782 10.830 12.486 1.00 25.50 C ATOM 725 O THR A 95 36.677 10.773 13.023 1.00 21.10 O ATOM 726 CB THR A 95 39.319 12.770 12.908 1.00 25.89 C ATOM 727 OG1 THR A 95 38.644 12.954 14.144 1.00 31.16 O ATOM 728 CG2 THR A 95 39.829 14.135 12.469 1.00 24.78 C ATOM 0 H THR A 95 36.679 13.212 11.952 1.00 27.24 H new ATOM 0 HA THR A 95 38.812 11.874 11.022 1.00 27.61 H new ATOM 0 HB THR A 95 40.070 12.163 12.996 1.00 25.89 H new ATOM 0 HG1 THR A 95 37.880 13.273 14.002 1.00 31.16 H new ATOM 0 HG21 THR A 95 40.418 14.495 13.151 1.00 24.78 H new ATOM 0 HG22 THR A 95 40.317 14.046 11.635 1.00 24.78 H new ATOM 0 HG23 THR A 95 39.078 14.735 12.341 1.00 24.78 H new ATOM 729 N MET A 96 38.639 9.851 12.509 1.00 26.56 N ATOM 730 CA MET A 96 38.388 8.596 13.206 1.00 31.81 C ATOM 731 C MET A 96 39.623 8.402 14.158 1.00 29.69 C ATOM 732 O MET A 96 40.729 8.861 13.832 1.00 21.14 O ATOM 733 CB MET A 96 38.385 7.572 12.093 1.00 34.13 C ATOM 734 CG MET A 96 37.712 6.310 12.449 1.00 41.72 C ATOM 735 SD MET A 96 36.186 6.095 11.477 1.00 41.64 S ATOM 736 CE MET A 96 35.516 5.100 12.812 1.00 38.47 C ATOM 0 H MET A 96 39.403 9.883 12.116 1.00 26.56 H new ATOM 0 HA MET A 96 37.571 8.544 13.726 1.00 31.81 H new ATOM 0 HB2 MET A 96 37.949 7.953 11.315 1.00 34.13 H new ATOM 0 HB3 MET A 96 39.301 7.380 11.839 1.00 34.13 H new ATOM 0 HG2 MET A 96 38.310 5.563 12.289 1.00 41.72 H new ATOM 0 HG3 MET A 96 37.501 6.307 13.396 1.00 41.72 H new ATOM 0 HE1 MET A 96 34.577 4.922 12.644 1.00 38.47 H new ATOM 0 HE2 MET A 96 35.999 4.261 12.864 1.00 38.47 H new ATOM 0 HE3 MET A 96 35.609 5.579 13.651 1.00 38.47 H new ATOM 737 N TRP A 97 39.509 7.776 15.354 1.00 25.56 N ATOM 738 CA TRP A 97 40.728 7.675 16.187 1.00 26.04 C ATOM 739 C TRP A 97 40.831 6.304 16.836 1.00 26.06 C ATOM 740 O TRP A 97 39.830 5.608 16.922 1.00 23.00 O ATOM 741 CB TRP A 97 40.773 8.783 17.305 1.00 22.53 C ATOM 742 CG TRP A 97 39.442 8.876 18.046 1.00 22.76 C ATOM 743 CD1 TRP A 97 38.451 9.789 17.825 1.00 25.36 C ATOM 744 CD2 TRP A 97 38.923 8.010 19.101 1.00 23.98 C ATOM 745 NE1 TRP A 97 37.368 9.605 18.667 1.00 26.99 N ATOM 746 CE2 TRP A 97 37.616 8.530 19.483 1.00 27.57 C ATOM 747 CE3 TRP A 97 39.469 6.917 19.857 1.00 22.78 C ATOM 748 CZ2 TRP A 97 36.854 7.976 20.560 1.00 23.90 C ATOM 749 CZ3 TRP A 97 38.698 6.369 20.914 1.00 20.12 C ATOM 750 CH2 TRP A 97 37.390 6.831 21.187 1.00 21.11 C ATOM 0 H TRP A 97 38.793 7.429 15.679 1.00 25.56 H new ATOM 0 HA TRP A 97 41.482 7.810 15.592 1.00 26.04 H new ATOM 0 HB2 TRP A 97 41.483 8.582 17.935 1.00 22.53 H new ATOM 0 HB3 TRP A 97 40.984 9.641 16.905 1.00 22.53 H new ATOM 0 HD1 TRP A 97 38.498 10.459 17.181 1.00 25.36 H new ATOM 0 HE1 TRP A 97 36.655 10.086 18.677 1.00 26.99 H new ATOM 0 HE3 TRP A 97 40.311 6.576 19.657 1.00 22.78 H new ATOM 0 HZ2 TRP A 97 36.048 8.351 20.833 1.00 23.90 H new ATOM 0 HZ3 TRP A 97 39.060 5.692 21.438 1.00 20.12 H new ATOM 0 HH2 TRP A 97 36.866 6.366 21.799 1.00 21.11 H new ATOM 751 N LEU A 98 42.033 5.968 17.281 1.00 21.16 N ATOM 752 CA LEU A 98 42.331 4.735 18.049 1.00 24.60 C ATOM 753 C LEU A 98 42.886 5.147 19.415 1.00 25.24 C ATOM 754 O LEU A 98 43.844 5.873 19.437 1.00 24.62 O ATOM 755 CB LEU A 98 43.295 3.662 17.400 1.00 24.47 C ATOM 756 CG LEU A 98 42.806 3.038 16.041 1.00 24.75 C ATOM 757 CD1 LEU A 98 43.915 2.250 15.377 1.00 21.93 C ATOM 758 CD2 LEU A 98 41.564 2.169 16.190 1.00 17.14 C ATOM 0 H LEU A 98 42.728 6.457 17.147 1.00 21.16 H new ATOM 0 HA LEU A 98 41.481 4.269 18.089 1.00 24.60 H new ATOM 0 HB2 LEU A 98 44.160 4.075 17.254 1.00 24.47 H new ATOM 0 HB3 LEU A 98 43.428 2.943 18.038 1.00 24.47 H new ATOM 0 HG LEU A 98 42.560 3.788 15.477 1.00 24.75 H new ATOM 0 HD11 LEU A 98 43.591 1.875 14.543 1.00 21.93 H new ATOM 0 HD12 LEU A 98 44.666 2.837 15.198 1.00 21.93 H new ATOM 0 HD13 LEU A 98 44.199 1.532 15.965 1.00 21.93 H new ATOM 0 HD21 LEU A 98 41.311 1.814 15.323 1.00 17.14 H new ATOM 0 HD22 LEU A 98 41.753 1.436 16.797 1.00 17.14 H new ATOM 0 HD23 LEU A 98 40.836 2.703 16.545 1.00 17.14 H new ATOM 759 N LEU A 99 42.304 4.694 20.521 1.00 20.51 N ATOM 760 CA LEU A 99 42.875 5.048 21.807 1.00 20.34 C ATOM 761 C LEU A 99 43.502 3.802 22.438 1.00 27.50 C ATOM 762 O LEU A 99 42.832 2.791 22.761 1.00 22.50 O ATOM 763 CB LEU A 99 41.830 5.685 22.724 1.00 19.92 C ATOM 764 CG LEU A 99 41.993 5.574 24.262 1.00 25.78 C ATOM 765 CD1 LEU A 99 43.070 6.520 24.821 1.00 25.66 C ATOM 766 CD2 LEU A 99 40.700 6.143 24.850 1.00 30.89 C ATOM 0 H LEU A 99 41.602 4.198 20.547 1.00 20.51 H new ATOM 0 HA LEU A 99 43.568 5.714 21.677 1.00 20.34 H new ATOM 0 HB2 LEU A 99 41.787 6.629 22.504 1.00 19.92 H new ATOM 0 HB3 LEU A 99 40.969 5.301 22.495 1.00 19.92 H new ATOM 0 HG LEU A 99 42.211 4.653 24.475 1.00 25.78 H new ATOM 0 HD11 LEU A 99 43.130 6.410 25.783 1.00 25.66 H new ATOM 0 HD12 LEU A 99 43.927 6.309 24.418 1.00 25.66 H new ATOM 0 HD13 LEU A 99 42.833 7.438 24.615 1.00 25.66 H new ATOM 0 HD21 LEU A 99 40.739 6.102 25.818 1.00 30.89 H new ATOM 0 HD22 LEU A 99 40.596 7.066 24.570 1.00 30.89 H new ATOM 0 HD23 LEU A 99 39.945 5.623 24.535 1.00 30.89 H new ATOM 767 N ARG A 100 44.848 3.848 22.587 1.00 22.01 N ATOM 768 CA ARG A 100 45.495 2.684 23.149 1.00 24.20 C ATOM 769 C ARG A 100 45.758 2.881 24.640 1.00 30.94 C ATOM 770 O ARG A 100 46.433 3.822 25.050 1.00 26.15 O ATOM 771 CB ARG A 100 46.824 2.543 22.455 1.00 28.04 C ATOM 772 CG ARG A 100 47.693 1.296 22.666 1.00 21.29 C ATOM 773 CD ARG A 100 47.413 0.234 23.679 1.00 38.05 C ATOM 774 NE ARG A 100 47.590 -0.957 22.943 1.00 27.68 N ATOM 775 CZ ARG A 100 47.957 -2.218 23.118 1.00 36.16 C ATOM 776 NH1 ARG A 100 48.331 -2.822 24.243 1.00 25.40 N ATOM 777 NH2 ARG A 100 47.911 -2.938 21.979 1.00 24.94 N ATOM 0 H ARG A 100 45.359 4.507 22.378 1.00 22.01 H new ATOM 0 HA ARG A 100 44.931 1.903 23.031 1.00 24.20 H new ATOM 0 HB2 ARG A 100 46.657 2.616 21.502 1.00 28.04 H new ATOM 0 HB3 ARG A 100 47.361 3.310 22.708 1.00 28.04 H new ATOM 0 HG2 ARG A 100 47.731 0.846 21.808 1.00 21.29 H new ATOM 0 HG3 ARG A 100 48.587 1.620 22.856 1.00 21.29 H new ATOM 0 HD2 ARG A 100 48.022 0.285 24.432 1.00 38.05 H new ATOM 0 HD3 ARG A 100 46.514 0.306 24.036 1.00 38.05 H new ATOM 0 HE ARG A 100 47.398 -0.821 22.116 1.00 27.68 H new ATOM 0 HH11 ARG A 100 48.355 -2.381 24.981 1.00 25.40 H new ATOM 0 HH12 ARG A 100 48.549 -3.654 24.232 1.00 25.40 H new ATOM 0 HH21 ARG A 100 47.662 -2.566 21.245 1.00 24.94 H new ATOM 0 HH22 ARG A 100 48.131 -3.769 21.987 1.00 24.94 H new ATOM 778 N SER A 101 45.232 1.963 25.431 1.00 25.55 N ATOM 779 CA SER A 101 45.534 1.990 26.828 1.00 27.80 C ATOM 780 C SER A 101 46.798 1.182 27.105 1.00 32.57 C ATOM 781 O SER A 101 47.147 0.233 26.422 1.00 23.53 O ATOM 782 CB SER A 101 44.420 1.252 27.576 1.00 23.36 C ATOM 783 OG SER A 101 43.459 2.261 27.628 1.00 44.39 O ATOM 0 H SER A 101 44.708 1.330 25.177 1.00 25.55 H new ATOM 0 HA SER A 101 45.633 2.915 27.104 1.00 27.80 H new ATOM 0 HB2 SER A 101 44.109 0.467 27.099 1.00 23.36 H new ATOM 0 HB3 SER A 101 44.697 0.957 28.458 1.00 23.36 H new ATOM 0 HG SER A 101 42.974 2.221 26.944 1.00 44.39 H new ATOM 784 N SER A 102 47.437 1.469 28.218 1.00 33.09 N ATOM 785 CA SER A 102 48.581 0.667 28.658 1.00 34.39 C ATOM 786 C SER A 102 48.169 -0.593 29.407 1.00 32.53 C ATOM 787 O SER A 102 47.502 -0.514 30.429 1.00 33.90 O ATOM 788 CB SER A 102 49.342 1.463 29.719 1.00 40.83 C ATOM 789 OG SER A 102 50.192 0.518 30.328 1.00 59.70 O ATOM 0 H SER A 102 47.233 2.121 28.740 1.00 33.09 H new ATOM 0 HA SER A 102 49.082 0.449 27.857 1.00 34.39 H new ATOM 0 HB2 SER A 102 49.848 2.188 29.321 1.00 40.83 H new ATOM 0 HB3 SER A 102 48.736 1.861 30.364 1.00 40.83 H new ATOM 0 HG SER A 102 50.645 0.894 30.927 1.00 59.70 H new ATOM 790 N VAL A 103 48.541 -1.768 28.984 1.00 28.84 N ATOM 791 CA VAL A 103 48.198 -2.937 29.811 1.00 31.40 C ATOM 792 C VAL A 103 49.501 -3.507 30.408 1.00 42.31 C ATOM 793 O VAL A 103 50.590 -3.279 29.844 1.00 41.80 O ATOM 794 CB VAL A 103 47.321 -4.014 29.195 1.00 33.33 C ATOM 795 CG1 VAL A 103 45.914 -3.537 28.838 1.00 30.40 C ATOM 796 CG2 VAL A 103 48.019 -4.631 27.989 1.00 31.17 C ATOM 0 H VAL A 103 48.974 -1.929 28.258 1.00 28.84 H new ATOM 0 HA VAL A 103 47.604 -2.599 30.499 1.00 31.40 H new ATOM 0 HB VAL A 103 47.195 -4.692 29.877 1.00 33.33 H new ATOM 0 HG11 VAL A 103 45.412 -4.271 28.452 1.00 30.40 H new ATOM 0 HG12 VAL A 103 45.465 -3.225 29.639 1.00 30.40 H new ATOM 0 HG13 VAL A 103 45.971 -2.812 28.196 1.00 30.40 H new ATOM 0 HG21 VAL A 103 47.452 -5.317 27.603 1.00 31.17 H new ATOM 0 HG22 VAL A 103 48.190 -3.943 27.327 1.00 31.17 H new ATOM 0 HG23 VAL A 103 48.859 -5.026 28.269 1.00 31.17 H new ATOM 797 N ASN A 104 49.409 -4.231 31.544 1.00 40.16 N ATOM 798 CA ASN A 104 50.587 -4.752 32.236 1.00 39.24 C ATOM 799 C ASN A 104 51.214 -5.994 31.663 1.00 43.83 C ATOM 800 O ASN A 104 52.439 -6.224 31.800 1.00 45.40 O ATOM 801 CB ASN A 104 50.307 -5.034 33.700 1.00 45.54 C ATOM 802 CG ASN A 104 49.688 -3.873 34.414 0.00 62.23 C ATOM 803 OD1 ASN A 104 48.606 -3.964 35.013 0.00 56.84 O ATOM 804 ND2 ASN A 104 50.407 -2.778 34.345 1.00 50.13 N ATOM 0 H ASN A 104 48.663 -4.427 31.924 1.00 40.16 H new ATOM 0 HA ASN A 104 51.221 -4.028 32.113 1.00 39.24 H new ATOM 0 HB2 ASN A 104 49.717 -5.801 33.769 1.00 45.54 H new ATOM 0 HB3 ASN A 104 51.137 -5.274 34.142 1.00 45.54 H new ATOM 0 HD21 ASN A 104 50.135 -2.060 34.732 1.00 50.13 H new ATOM 0 HD22 ASN A 104 51.151 -2.778 33.913 1.00 50.13 H new ATOM 805 N ASP A 105 50.361 -6.776 31.048 1.00 36.48 N ATOM 806 CA ASP A 105 50.787 -8.034 30.464 1.00 38.14 C ATOM 807 C ASP A 105 50.374 -8.256 28.991 1.00 36.92 C ATOM 808 O ASP A 105 49.254 -8.032 28.588 1.00 38.95 O ATOM 809 CB ASP A 105 50.119 -9.139 31.312 1.00 41.03 C ATOM 810 CG ASP A 105 50.580 -10.508 30.949 1.00 48.84 C ATOM 811 OD1 ASP A 105 51.854 -10.666 31.238 1.00 61.50 O ATOM 812 OD2 ASP A 105 49.885 -11.318 30.371 1.00 51.83 O ATOM 0 H ASP A 105 49.524 -6.601 30.954 1.00 36.48 H new ATOM 0 HA ASP A 105 51.757 -8.042 30.465 1.00 38.14 H new ATOM 0 HB2 ASP A 105 50.306 -8.978 32.250 1.00 41.03 H new ATOM 0 HB3 ASP A 105 49.157 -9.087 31.202 1.00 41.03 H new ATOM 813 N ILE A 106 51.236 -8.808 28.192 1.00 33.32 N ATOM 814 CA ILE A 106 50.895 -9.081 26.808 1.00 37.07 C ATOM 815 C ILE A 106 49.605 -9.874 26.621 1.00 37.97 C ATOM 816 O ILE A 106 48.992 -9.817 25.542 1.00 36.73 O ATOM 817 CB ILE A 106 52.035 -9.777 26.040 1.00 40.12 C ATOM 818 CG1 ILE A 106 51.635 -10.032 24.561 1.00 37.89 C ATOM 819 CG2 ILE A 106 52.303 -11.098 26.755 1.00 35.15 C ATOM 820 CD1 ILE A 106 52.771 -10.032 23.499 1.00 38.51 C ATOM 0 H ILE A 106 52.032 -9.039 28.420 1.00 33.32 H new ATOM 0 HA ILE A 106 50.749 -8.198 26.433 1.00 37.07 H new ATOM 0 HB ILE A 106 52.828 -9.219 26.026 1.00 40.12 H new ATOM 0 HG12 ILE A 106 51.184 -10.890 24.517 1.00 37.89 H new ATOM 0 HG13 ILE A 106 50.987 -9.357 24.306 1.00 37.89 H new ATOM 0 HG21 ILE A 106 53.018 -11.572 26.302 1.00 35.15 H new ATOM 0 HG22 ILE A 106 52.563 -10.922 27.673 1.00 35.15 H new ATOM 0 HG23 ILE A 106 51.499 -11.641 26.745 1.00 35.15 H new ATOM 0 HD11 ILE A 106 52.394 -10.201 22.621 1.00 38.51 H new ATOM 0 HD12 ILE A 106 53.214 -9.169 23.499 1.00 38.51 H new ATOM 0 HD13 ILE A 106 53.414 -10.726 23.713 1.00 38.51 H new ATOM 821 N GLY A 107 49.205 -10.652 27.605 1.00 33.14 N ATOM 822 CA GLY A 107 47.979 -11.425 27.434 1.00 32.27 C ATOM 823 C GLY A 107 46.636 -10.582 27.491 1.00 38.49 C ATOM 824 O GLY A 107 45.565 -11.039 27.113 1.00 39.79 O ATOM 0 H GLY A 107 49.608 -10.751 28.358 1.00 33.14 H new ATOM 0 HA2 GLY A 107 48.020 -11.885 26.581 1.00 32.27 H new ATOM 0 HA3 GLY A 107 47.945 -12.107 28.122 1.00 32.27 H new ATOM 825 N ASP A 108 46.647 -9.338 27.968 1.00 26.64 N ATOM 826 CA ASP A 108 45.474 -8.536 27.985 1.00 24.46 C ATOM 827 C ASP A 108 45.485 -7.613 26.774 1.00 28.64 C ATOM 828 O ASP A 108 44.669 -6.724 26.609 1.00 27.64 O ATOM 829 CB ASP A 108 45.594 -7.611 29.193 1.00 29.31 C ATOM 830 CG ASP A 108 45.616 -8.366 30.503 1.00 53.05 C ATOM 831 OD1 ASP A 108 44.939 -9.348 30.647 1.00 49.37 O ATOM 832 OD2 ASP A 108 46.504 -7.945 31.393 1.00 67.21 O ATOM 0 H ASP A 108 47.346 -8.952 28.287 1.00 26.64 H new ATOM 0 HA ASP A 108 44.684 -9.098 27.999 1.00 24.46 H new ATOM 0 HB2 ASP A 108 46.405 -7.084 29.114 1.00 29.31 H new ATOM 0 HB3 ASP A 108 44.850 -6.989 29.195 1.00 29.31 H new ATOM 833 N ASP A 109 46.454 -7.784 25.937 1.00 28.76 N ATOM 834 CA ASP A 109 46.570 -6.929 24.797 1.00 25.69 C ATOM 835 C ASP A 109 45.231 -6.777 24.069 1.00 31.86 C ATOM 836 O ASP A 109 44.823 -5.686 23.690 1.00 28.41 O ATOM 837 CB ASP A 109 47.638 -7.434 23.853 1.00 27.74 C ATOM 838 CG ASP A 109 47.816 -6.426 22.692 1.00 40.14 C ATOM 839 OD1 ASP A 109 48.248 -5.286 22.792 1.00 37.23 O ATOM 840 OD2 ASP A 109 47.415 -6.866 21.538 1.00 37.22 O ATOM 0 H ASP A 109 47.061 -8.390 26.005 1.00 28.76 H new ATOM 0 HA ASP A 109 46.833 -6.051 25.116 1.00 25.69 H new ATOM 0 HB2 ASP A 109 48.476 -7.547 24.328 1.00 27.74 H new ATOM 0 HB3 ASP A 109 47.390 -8.304 23.504 1.00 27.74 H new ATOM 841 N TRP A 110 44.514 -7.852 23.868 1.00 29.37 N ATOM 842 CA TRP A 110 43.217 -7.815 23.143 1.00 33.65 C ATOM 843 C TRP A 110 42.194 -6.803 23.615 1.00 32.64 C ATOM 844 O TRP A 110 41.295 -6.403 22.891 1.00 31.48 O ATOM 845 CB TRP A 110 42.506 -9.200 23.213 1.00 36.83 C ATOM 846 CG TRP A 110 42.071 -9.538 24.598 1.00 40.36 C ATOM 847 CD1 TRP A 110 42.828 -10.002 25.630 1.00 43.26 C ATOM 848 CD2 TRP A 110 40.806 -9.309 25.123 1.00 41.37 C ATOM 849 NE1 TRP A 110 42.098 -10.053 26.771 1.00 40.96 N ATOM 850 CE2 TRP A 110 40.861 -9.644 26.501 1.00 44.12 C ATOM 851 CE3 TRP A 110 39.638 -8.831 24.543 1.00 44.25 C ATOM 852 CZ2 TRP A 110 39.757 -9.548 27.330 1.00 46.87 C ATOM 853 CZ3 TRP A 110 38.543 -8.708 25.372 1.00 47.87 C ATOM 854 CH2 TRP A 110 38.593 -9.090 26.736 1.00 49.09 C ATOM 0 H TRP A 110 44.744 -8.636 24.138 1.00 29.37 H new ATOM 0 HA TRP A 110 43.491 -7.555 22.250 1.00 33.65 H new ATOM 0 HB2 TRP A 110 41.735 -9.196 22.625 1.00 36.83 H new ATOM 0 HB3 TRP A 110 43.108 -9.888 22.887 1.00 36.83 H new ATOM 0 HD1 TRP A 110 43.722 -10.250 25.562 1.00 43.26 H new ATOM 0 HE1 TRP A 110 42.386 -10.307 27.540 1.00 40.96 H new ATOM 0 HE3 TRP A 110 39.597 -8.605 23.642 1.00 44.25 H new ATOM 0 HZ2 TRP A 110 39.795 -9.777 28.231 1.00 46.87 H new ATOM 0 HZ3 TRP A 110 37.750 -8.365 25.027 1.00 47.87 H new ATOM 0 HH2 TRP A 110 37.819 -9.031 27.249 1.00 49.09 H new ATOM 855 N LYS A 111 42.276 -6.409 24.848 1.00 26.96 N ATOM 856 CA LYS A 111 41.279 -5.481 25.273 1.00 29.20 C ATOM 857 C LYS A 111 41.800 -4.030 25.411 1.00 32.69 C ATOM 858 O LYS A 111 41.103 -3.178 25.951 1.00 31.47 O ATOM 859 CB LYS A 111 40.611 -5.962 26.549 1.00 29.20 C ATOM 860 CG LYS A 111 41.547 -5.920 27.724 1.00 36.73 C ATOM 861 CD LYS A 111 41.058 -6.771 28.900 1.00 50.84 C ATOM 862 CE LYS A 111 41.681 -6.367 30.227 0.00 62.01 C ATOM 863 NZ LYS A 111 42.626 -7.367 30.745 0.00 71.17 N ATOM 0 H LYS A 111 42.864 -6.648 25.429 1.00 26.96 H new ATOM 0 HA LYS A 111 40.614 -5.448 24.568 1.00 29.20 H new ATOM 0 HB2 LYS A 111 39.835 -5.410 26.735 1.00 29.20 H new ATOM 0 HB3 LYS A 111 40.291 -6.869 26.424 1.00 29.20 H new ATOM 0 HG2 LYS A 111 42.423 -6.231 27.446 1.00 36.73 H new ATOM 0 HG3 LYS A 111 41.652 -5.001 28.016 1.00 36.73 H new ATOM 0 HD2 LYS A 111 40.093 -6.698 28.966 1.00 50.84 H new ATOM 0 HD3 LYS A 111 41.260 -7.703 28.724 1.00 50.84 H new ATOM 0 HE2 LYS A 111 42.141 -5.520 30.118 0.00 62.01 H new ATOM 0 HE3 LYS A 111 40.977 -6.226 30.879 0.00 62.01 H new ATOM 0 HZ1 LYS A 111 42.962 -7.085 31.520 0.00 71.17 H new ATOM 0 HZ2 LYS A 111 42.202 -8.140 30.869 0.00 71.17 H new ATOM 0 HZ3 LYS A 111 43.287 -7.482 30.160 0.00 71.17 H new ATOM 864 N ALA A 112 42.989 -3.709 24.854 1.00 24.20 N ATOM 865 CA ALA A 112 43.625 -2.374 24.959 1.00 24.90 C ATOM 866 C ALA A 112 43.229 -1.214 24.013 1.00 27.00 C ATOM 867 O ALA A 112 43.638 -0.045 24.224 1.00 28.28 O ATOM 868 CB ALA A 112 45.146 -2.580 24.967 1.00 25.24 C ATOM 0 H ALA A 112 43.454 -4.271 24.398 1.00 24.20 H new ATOM 0 HA ALA A 112 43.252 -2.026 25.784 1.00 24.90 H new ATOM 0 HB1 ALA A 112 45.589 -1.720 25.035 1.00 25.24 H new ATOM 0 HB2 ALA A 112 45.394 -3.132 25.725 1.00 25.24 H new ATOM 0 HB3 ALA A 112 45.418 -3.019 24.146 1.00 25.24 H new ATOM 869 N THR A 113 42.431 -1.518 22.974 1.00 26.28 N ATOM 870 CA THR A 113 42.093 -0.504 21.960 1.00 28.54 C ATOM 871 C THR A 113 40.625 -0.122 21.729 1.00 29.14 C ATOM 872 O THR A 113 39.795 -0.916 21.338 1.00 29.98 O ATOM 873 CB THR A 113 42.749 -0.916 20.612 1.00 27.69 C ATOM 874 OG1 THR A 113 44.016 -1.541 20.828 1.00 24.11 O ATOM 875 CG2 THR A 113 42.859 0.281 19.677 1.00 26.91 C ATOM 0 H THR A 113 42.081 -2.292 22.841 1.00 26.28 H new ATOM 0 HA THR A 113 42.448 0.314 22.342 1.00 28.54 H new ATOM 0 HB THR A 113 42.177 -1.570 20.181 1.00 27.69 H new ATOM 0 HG1 THR A 113 43.919 -2.375 20.835 1.00 24.11 H new ATOM 0 HG21 THR A 113 43.270 0.004 18.843 1.00 26.91 H new ATOM 0 HG22 THR A 113 41.974 0.635 19.499 1.00 26.91 H new ATOM 0 HG23 THR A 113 43.404 0.968 20.093 1.00 26.91 H new ATOM 876 N ARG A 114 40.331 1.153 21.924 1.00 23.84 N ATOM 877 CA ARG A 114 39.020 1.650 21.674 1.00 25.60 C ATOM 878 C ARG A 114 39.029 2.457 20.361 1.00 27.37 C ATOM 879 O ARG A 114 40.070 2.951 19.987 1.00 23.33 O ATOM 880 CB ARG A 114 38.608 2.608 22.743 1.00 20.11 C ATOM 881 CG ARG A 114 38.477 1.893 24.059 1.00 32.21 C ATOM 882 CD ARG A 114 38.245 3.018 25.034 1.00 39.81 C ATOM 883 NE ARG A 114 37.727 2.598 26.302 1.00 45.17 N ATOM 884 CZ ARG A 114 38.386 2.731 27.449 1.00 76.19 C ATOM 885 NH1 ARG A 114 39.610 3.324 27.502 1.00 54.33 N ATOM 886 NH2 ARG A 114 37.781 2.243 28.558 1.00 41.68 N ATOM 0 H ARG A 114 40.892 1.742 22.204 1.00 23.84 H new ATOM 0 HA ARG A 114 38.416 0.892 21.637 1.00 25.60 H new ATOM 0 HB2 ARG A 114 39.262 3.320 22.818 1.00 20.11 H new ATOM 0 HB3 ARG A 114 37.763 3.023 22.507 1.00 20.11 H new ATOM 0 HG2 ARG A 114 37.739 1.264 24.054 1.00 32.21 H new ATOM 0 HG3 ARG A 114 39.277 1.389 24.275 1.00 32.21 H new ATOM 0 HD2 ARG A 114 39.082 3.487 25.177 1.00 39.81 H new ATOM 0 HD3 ARG A 114 37.628 3.654 24.638 1.00 39.81 H new ATOM 0 HE ARG A 114 36.946 2.240 26.322 1.00 45.17 H new ATOM 0 HH11 ARG A 114 39.974 3.623 26.783 1.00 54.33 H new ATOM 0 HH12 ARG A 114 40.019 3.400 28.255 1.00 54.33 H new ATOM 0 HH21 ARG A 114 37.009 1.870 28.497 1.00 41.68 H new ATOM 0 HH22 ARG A 114 38.169 2.306 29.323 1.00 41.68 H new ATOM 887 N VAL A 115 37.856 2.684 19.746 1.00 19.57 N ATOM 888 CA VAL A 115 37.773 3.429 18.509 1.00 19.94 C ATOM 889 C VAL A 115 36.595 4.339 18.560 1.00 25.41 C ATOM 890 O VAL A 115 35.608 4.016 19.254 1.00 23.12 O ATOM 891 CB VAL A 115 37.563 2.425 17.366 1.00 24.23 C ATOM 892 CG1 VAL A 115 36.328 1.518 17.638 1.00 21.87 C ATOM 893 CG2 VAL A 115 37.563 3.064 15.966 1.00 21.51 C ATOM 0 H VAL A 115 37.098 2.406 20.043 1.00 19.57 H new ATOM 0 HA VAL A 115 38.582 3.947 18.374 1.00 19.94 H new ATOM 0 HB VAL A 115 38.343 1.848 17.355 1.00 24.23 H new ATOM 0 HG11 VAL A 115 36.217 0.894 16.904 1.00 21.87 H new ATOM 0 HG12 VAL A 115 36.463 1.025 18.463 1.00 21.87 H new ATOM 0 HG13 VAL A 115 35.533 2.068 17.717 1.00 21.87 H new ATOM 0 HG21 VAL A 115 37.426 2.376 15.296 1.00 21.51 H new ATOM 0 HG22 VAL A 115 36.848 3.717 15.908 1.00 21.51 H new ATOM 0 HG23 VAL A 115 38.414 3.502 15.810 1.00 21.51 H new ATOM 894 N GLY A 116 36.690 5.414 17.758 1.00 23.30 N ATOM 895 CA GLY A 116 35.612 6.395 17.647 1.00 18.00 C ATOM 896 C GLY A 116 35.910 7.459 16.604 1.00 23.05 C ATOM 897 O GLY A 116 36.892 7.374 15.865 1.00 22.86 O ATOM 0 H GLY A 116 37.377 5.588 17.271 1.00 23.30 H new ATOM 0 HA2 GLY A 116 34.786 5.941 17.417 1.00 18.00 H new ATOM 0 HA3 GLY A 116 35.472 6.819 18.508 1.00 18.00 H new ATOM 898 N ILE A 117 35.009 8.431 16.534 1.00 23.61 N ATOM 899 CA ILE A 117 35.151 9.562 15.625 1.00 26.38 C ATOM 900 C ILE A 117 35.199 10.889 16.318 1.00 29.19 C ATOM 901 O ILE A 117 34.851 11.009 17.513 1.00 29.07 O ATOM 902 CB ILE A 117 34.212 9.666 14.431 1.00 33.69 C ATOM 903 CG1 ILE A 117 33.007 10.543 14.716 1.00 40.56 C ATOM 904 CG2 ILE A 117 33.655 8.339 14.049 1.00 39.56 C ATOM 905 CD1 ILE A 117 32.177 9.993 15.855 1.00 31.72 C ATOM 0 H ILE A 117 34.296 8.454 17.014 1.00 23.61 H new ATOM 0 HA ILE A 117 36.014 9.336 15.243 1.00 26.38 H new ATOM 0 HB ILE A 117 34.758 10.043 13.723 1.00 33.69 H new ATOM 0 HG12 ILE A 117 33.303 11.441 14.934 1.00 40.56 H new ATOM 0 HG13 ILE A 117 32.459 10.611 13.918 1.00 40.56 H new ATOM 0 HG21 ILE A 117 33.063 8.443 13.288 1.00 39.56 H new ATOM 0 HG22 ILE A 117 34.380 7.739 13.815 1.00 39.56 H new ATOM 0 HG23 ILE A 117 33.158 7.969 14.796 1.00 39.56 H new ATOM 0 HD11 ILE A 117 31.417 10.575 16.012 1.00 31.72 H new ATOM 0 HD12 ILE A 117 31.862 9.104 15.627 1.00 31.72 H new ATOM 0 HD13 ILE A 117 32.719 9.947 16.658 1.00 31.72 H new ATOM 906 N ASN A 118 35.617 11.890 15.543 1.00 23.41 N ATOM 907 CA ASN A 118 35.540 13.258 16.008 1.00 23.06 C ATOM 908 C ASN A 118 35.389 14.164 14.807 1.00 30.73 C ATOM 909 O ASN A 118 36.057 13.970 13.804 1.00 30.88 O ATOM 910 CB ASN A 118 36.818 13.714 16.749 1.00 30.55 C ATOM 911 CG ASN A 118 36.830 13.727 18.285 1.00 57.48 C ATOM 912 OD1 ASN A 118 37.873 13.904 18.938 1.00 72.27 O ATOM 913 ND2 ASN A 118 35.671 13.613 18.884 1.00 40.49 N ATOM 0 H ASN A 118 35.944 11.792 14.754 1.00 23.41 H new ATOM 0 HA ASN A 118 34.789 13.307 16.620 1.00 23.06 H new ATOM 0 HB2 ASN A 118 37.545 13.142 16.456 1.00 30.55 H new ATOM 0 HB3 ASN A 118 37.025 14.613 16.448 1.00 30.55 H new ATOM 0 HD21 ASN A 118 35.624 13.660 19.741 1.00 40.49 H new ATOM 0 HD22 ASN A 118 34.957 13.491 18.420 1.00 40.49 H new ATOM 914 N ILE A 119 34.553 15.187 14.921 1.00 30.06 N ATOM 915 CA ILE A 119 34.456 16.225 13.900 1.00 28.67 C ATOM 916 C ILE A 119 34.934 17.585 14.435 1.00 32.05 C ATOM 917 O ILE A 119 34.507 18.041 15.525 1.00 29.50 O ATOM 918 CB ILE A 119 33.079 16.332 13.323 1.00 33.47 C ATOM 919 CG1 ILE A 119 32.743 14.989 12.728 1.00 33.86 C ATOM 920 CG2 ILE A 119 33.065 17.391 12.222 1.00 32.46 C ATOM 921 CD1 ILE A 119 31.241 14.868 12.680 1.00 50.74 C ATOM 0 H ILE A 119 34.026 15.301 15.591 1.00 30.06 H new ATOM 0 HA ILE A 119 35.047 15.958 13.179 1.00 28.67 H new ATOM 0 HB ILE A 119 32.437 16.584 14.005 1.00 33.47 H new ATOM 0 HG12 ILE A 119 33.119 14.908 11.838 1.00 33.86 H new ATOM 0 HG13 ILE A 119 33.124 14.275 13.263 1.00 33.86 H new ATOM 0 HG21 ILE A 119 32.172 17.459 11.849 1.00 32.46 H new ATOM 0 HG22 ILE A 119 33.326 18.248 12.594 1.00 32.46 H new ATOM 0 HG23 ILE A 119 33.688 17.139 11.523 1.00 32.46 H new ATOM 0 HD11 ILE A 119 30.997 14.010 12.300 1.00 50.74 H new ATOM 0 HD12 ILE A 119 30.882 14.937 13.578 1.00 50.74 H new ATOM 0 HD13 ILE A 119 30.876 15.580 12.131 1.00 50.74 H new ATOM 922 N PHE A 120 35.853 18.231 13.692 1.00 27.70 N ATOM 923 CA PHE A 120 36.384 19.525 14.120 1.00 28.55 C ATOM 924 C PHE A 120 36.011 20.665 13.195 1.00 31.66 C ATOM 925 O PHE A 120 36.079 20.486 11.989 1.00 27.33 O ATOM 926 CB PHE A 120 37.949 19.554 14.220 1.00 31.03 C ATOM 927 CG PHE A 120 38.524 18.558 15.208 1.00 30.21 C ATOM 928 CD1 PHE A 120 38.719 17.227 14.824 1.00 30.25 C ATOM 929 CD2 PHE A 120 38.782 18.952 16.519 1.00 28.11 C ATOM 930 CE1 PHE A 120 39.211 16.272 15.706 1.00 31.05 C ATOM 931 CE2 PHE A 120 39.276 18.001 17.409 1.00 31.89 C ATOM 932 CZ PHE A 120 39.469 16.672 17.017 1.00 30.15 C ATOM 0 H PHE A 120 36.173 17.937 12.950 1.00 27.70 H new ATOM 0 HA PHE A 120 35.980 19.643 14.994 1.00 28.55 H new ATOM 0 HB2 PHE A 120 38.323 19.377 13.343 1.00 31.03 H new ATOM 0 HB3 PHE A 120 38.231 20.447 14.474 1.00 31.03 H new ATOM 0 HD1 PHE A 120 38.513 16.974 13.953 1.00 30.25 H new ATOM 0 HD2 PHE A 120 38.628 19.827 16.793 1.00 28.11 H new ATOM 0 HE1 PHE A 120 39.363 15.397 15.431 1.00 31.05 H new ATOM 0 HE2 PHE A 120 39.481 18.254 18.280 1.00 31.89 H new ATOM 0 HZ PHE A 120 39.772 16.049 17.637 1.00 30.15 H new ATOM 933 N THR A 121 35.698 21.816 13.787 1.00 27.64 N ATOM 934 CA THR A 121 35.393 23.046 13.064 1.00 29.35 C ATOM 935 C THR A 121 36.260 24.131 13.645 1.00 32.80 C ATOM 936 O THR A 121 36.690 24.052 14.802 1.00 34.56 O ATOM 937 CB THR A 121 33.950 23.531 13.234 1.00 35.26 C ATOM 938 OG1 THR A 121 33.630 23.579 14.611 1.00 47.31 O ATOM 939 CG2 THR A 121 33.001 22.595 12.519 1.00 29.98 C ATOM 0 H THR A 121 35.656 21.904 14.641 1.00 27.64 H new ATOM 0 HA THR A 121 35.542 22.862 12.123 1.00 29.35 H new ATOM 0 HB THR A 121 33.863 24.418 12.851 1.00 35.26 H new ATOM 0 HG1 THR A 121 32.839 23.846 14.706 1.00 47.31 H new ATOM 0 HG21 THR A 121 32.090 22.909 12.632 1.00 29.98 H new ATOM 0 HG22 THR A 121 33.220 22.571 11.574 1.00 29.98 H new ATOM 0 HG23 THR A 121 33.083 21.703 12.892 1.00 29.98 H new ATOM 940 N ARG A 122 36.477 25.155 12.835 1.00 32.80 N ATOM 941 CA ARG A 122 37.296 26.300 13.239 1.00 39.08 C ATOM 942 C ARG A 122 36.747 27.040 14.433 1.00 47.12 C ATOM 943 O ARG A 122 35.526 27.235 14.516 1.00 47.59 O ATOM 944 CB ARG A 122 37.680 27.265 12.117 1.00 37.35 C ATOM 945 CG ARG A 122 38.441 26.557 11.010 1.00 46.91 C ATOM 946 CD ARG A 122 39.531 27.406 10.375 1.00 46.12 C ATOM 947 NE ARG A 122 40.849 27.161 10.937 1.00 55.45 N ATOM 948 CZ ARG A 122 41.830 26.733 10.194 1.00 55.00 C ATOM 949 NH1 ARG A 122 41.672 26.480 8.883 1.00 37.31 N ATOM 950 NH2 ARG A 122 42.990 26.544 10.789 1.00 74.74 N ATOM 0 H ARG A 122 36.158 25.211 12.038 1.00 32.80 H new ATOM 0 HA ARG A 122 38.127 25.879 13.509 1.00 39.08 H new ATOM 0 HB2 ARG A 122 36.879 27.673 11.751 1.00 37.35 H new ATOM 0 HB3 ARG A 122 38.224 27.982 12.478 1.00 37.35 H new ATOM 0 HG2 ARG A 122 38.840 25.749 11.369 1.00 46.91 H new ATOM 0 HG3 ARG A 122 37.814 26.283 10.322 1.00 46.91 H new ATOM 0 HD2 ARG A 122 39.555 27.231 9.421 1.00 46.12 H new ATOM 0 HD3 ARG A 122 39.308 28.344 10.485 1.00 46.12 H new ATOM 0 HE ARG A 122 40.984 27.301 11.775 1.00 55.45 H new ATOM 0 HH11 ARG A 122 40.906 26.600 8.511 1.00 37.31 H new ATOM 0 HH12 ARG A 122 42.337 26.198 8.416 1.00 37.31 H new ATOM 0 HH21 ARG A 122 43.073 26.702 11.630 1.00 74.74 H new ATOM 0 HH22 ARG A 122 43.665 26.262 10.336 1.00 74.74 H new ATOM 951 N LEU A 123 37.656 27.373 15.372 1.00 47.37 N ATOM 952 CA LEU A 123 37.250 28.148 16.569 1.00 54.85 C ATOM 953 C LEU A 123 37.089 29.638 16.167 1.00 74.57 C ATOM 954 O LEU A 123 37.999 30.254 15.559 1.00 81.23 O ATOM 955 CB LEU A 123 38.040 27.928 17.919 1.00 52.78 C ATOM 956 CG LEU A 123 37.512 26.770 18.754 0.00 57.49 C ATOM 957 CD1 LEU A 123 38.672 26.057 19.439 0.00 57.66 C ATOM 958 CD2 LEU A 123 36.533 27.288 19.801 0.00 59.97 C ATOM 0 H LEU A 123 38.490 27.167 15.338 1.00 47.37 H new ATOM 0 HA LEU A 123 36.399 27.769 16.838 1.00 54.85 H new ATOM 0 HB2 LEU A 123 38.975 27.770 17.715 1.00 52.78 H new ATOM 0 HB3 LEU A 123 37.998 28.742 18.445 1.00 52.78 H new ATOM 0 HG LEU A 123 37.052 26.144 18.173 0.00 57.49 H new ATOM 0 HD11 LEU A 123 38.331 25.320 19.970 0.00 57.66 H new ATOM 0 HD12 LEU A 123 39.284 25.716 18.768 0.00 57.66 H new ATOM 0 HD13 LEU A 123 39.140 26.681 20.016 0.00 57.66 H new ATOM 0 HD21 LEU A 123 36.201 26.545 20.329 0.00 59.97 H new ATOM 0 HD22 LEU A 123 36.984 27.921 20.382 0.00 59.97 H new ATOM 0 HD23 LEU A 123 35.790 27.728 19.360 0.00 59.97 H new ATOM 959 N ARG A 124 35.913 30.188 16.464 0.00 70.64 N ATOM 960 CA ARG A 124 35.593 31.566 16.134 0.00 70.24 C ATOM 961 C ARG A 124 36.798 32.488 16.230 0.00 73.96 C ATOM 962 O ARG A 124 36.964 33.215 17.207 0.00 73.52 O ATOM 963 CB ARG A 124 34.417 32.101 16.943 0.00 70.00 C ATOM 964 CG ARG A 124 33.616 33.160 16.194 0.00 78.53 C ATOM 965 CD ARG A 124 34.002 34.581 16.585 0.00 85.14 C ATOM 966 NE ARG A 124 34.191 35.459 15.434 0.00 89.59 N ATOM 967 CZ ARG A 124 33.206 36.126 14.839 0.00100.00 C ATOM 968 NH1 ARG A 124 31.945 36.040 15.253 0.00 87.47 N ATOM 969 NH2 ARG A 124 33.492 36.904 13.799 0.00 86.88 N ATOM 0 H ARG A 124 35.279 29.767 16.864 0.00 70.64 H new ATOM 0 HA ARG A 124 35.319 31.556 15.203 0.00 70.24 H new ATOM 0 HB2 ARG A 124 33.831 31.365 17.179 0.00 70.00 H new ATOM 0 HB3 ARG A 124 34.747 32.478 17.774 0.00 70.00 H new ATOM 0 HG2 ARG A 124 33.748 33.045 15.240 0.00 78.53 H new ATOM 0 HG3 ARG A 124 32.671 33.027 16.367 0.00 78.53 H new ATOM 0 HD2 ARG A 124 33.313 34.952 17.158 0.00 85.14 H new ATOM 0 HD3 ARG A 124 34.821 34.557 17.105 0.00 85.14 H new ATOM 0 HE ARG A 124 34.987 35.550 15.122 0.00 89.59 H new ATOM 0 HH11 ARG A 124 31.746 35.541 15.925 0.00 87.47 H new ATOM 0 HH12 ARG A 124 31.329 36.483 14.849 0.00 87.47 H new ATOM 0 HH21 ARG A 124 34.303 36.970 13.521 0.00 86.88 H new ATOM 0 HH22 ARG A 124 32.866 37.341 13.404 0.00 86.88 H new ATOM 970 N THR A 125 37.634 32.438 15.195 0.00 70.34 N ATOM 971 CA THR A 125 38.850 33.226 15.088 0.00 72.40 C ATOM 972 C THR A 125 39.741 32.699 13.974 0.00 81.21 C ATOM 973 O THR A 125 40.220 33.522 13.164 0.00 82.54 O ATOM 974 CB THR A 125 39.644 33.314 16.408 0.00 80.43 C ATOM 975 OG1 THR A 125 39.360 32.215 17.251 0.00 80.01 O ATOM 976 CG2 THR A 125 39.357 34.630 17.122 0.00 79.03 C ATOM 0 H THR A 125 37.501 31.927 14.516 0.00 70.34 H new ATOM 0 HA THR A 125 38.564 34.128 14.875 0.00 72.40 H new ATOM 0 HB THR A 125 40.589 33.284 16.189 0.00 80.43 H new ATOM 0 HG1 THR A 125 39.804 32.284 17.961 0.00 80.01 H new ATOM 0 HG21 THR A 125 39.864 34.667 17.948 0.00 79.03 H new ATOM 0 HG22 THR A 125 39.615 35.371 16.551 0.00 79.03 H new ATOM 0 HG23 THR A 125 38.410 34.690 17.321 0.00 79.03 H new TER 977 THR A 125 ATOM 978 N ARG B 2 11.257 5.894 30.153 1.00 74.09 N ATOM 979 CA ARG B 2 11.620 4.807 31.059 1.00 74.30 C ATOM 980 C ARG B 2 11.731 3.409 30.406 1.00 72.99 C ATOM 981 O ARG B 2 11.187 2.397 30.873 1.00 79.06 O ATOM 982 CB ARG B 2 10.721 4.765 32.288 0.00 73.89 C ATOM 983 CG ARG B 2 9.243 4.645 31.938 0.00 81.46 C ATOM 984 CD ARG B 2 8.369 5.639 32.694 0.00 86.78 C ATOM 985 NE ARG B 2 7.198 6.062 31.932 0.00 90.26 N ATOM 986 CZ ARG B 2 7.259 6.681 30.757 0.00100.00 C ATOM 987 NH1 ARG B 2 8.418 6.968 30.169 0.00 87.47 N ATOM 988 NH2 ARG B 2 6.127 7.022 30.147 0.00 86.88 N ATOM 0 HA ARG B 2 12.523 5.027 31.336 1.00 74.30 H new ATOM 0 HB2 ARG B 2 10.978 4.014 32.846 0.00 73.89 H new ATOM 0 HB3 ARG B 2 10.860 5.569 32.812 0.00 73.89 H new ATOM 0 HG2 ARG B 2 9.129 4.782 30.984 0.00 81.46 H new ATOM 0 HG3 ARG B 2 8.942 3.744 32.133 0.00 81.46 H new ATOM 0 HD2 ARG B 2 8.079 5.238 33.528 0.00 86.78 H new ATOM 0 HD3 ARG B 2 8.899 6.419 32.923 0.00 86.78 H new ATOM 0 HE ARG B 2 6.421 5.901 32.263 0.00 90.26 H new ATOM 0 HH11 ARG B 2 9.158 6.752 30.550 0.00 87.47 H new ATOM 0 HH12 ARG B 2 8.427 7.369 29.408 0.00 87.47 H new ATOM 0 HH21 ARG B 2 5.370 6.842 30.513 0.00 86.88 H new ATOM 0 HH22 ARG B 2 6.152 7.423 29.387 0.00 86.88 H new ATOM 989 N LYS B 3 12.475 3.358 29.338 1.00 56.94 N ATOM 990 CA LYS B 3 12.717 2.148 28.567 1.00 53.66 C ATOM 991 C LYS B 3 12.840 2.420 27.085 1.00 52.46 C ATOM 992 O LYS B 3 11.826 2.646 26.407 1.00 50.02 O ATOM 993 CB LYS B 3 11.889 0.902 28.802 1.00 49.99 C ATOM 994 CG LYS B 3 12.808 -0.319 28.898 1.00 53.48 C ATOM 995 CD LYS B 3 13.279 -0.822 27.555 1.00 50.35 C ATOM 996 CE LYS B 3 13.806 -2.252 27.540 1.00 59.85 C ATOM 997 NZ LYS B 3 14.256 -2.698 26.185 1.00 36.73 N ATOM 0 H LYS B 3 12.875 4.049 29.018 1.00 56.94 H new ATOM 0 HA LYS B 3 13.565 1.895 28.963 1.00 53.66 H new ATOM 0 HB2 LYS B 3 11.374 0.995 29.619 1.00 49.99 H new ATOM 0 HB3 LYS B 3 11.254 0.784 28.078 1.00 49.99 H new ATOM 0 HG2 LYS B 3 13.580 -0.093 29.440 1.00 53.48 H new ATOM 0 HG3 LYS B 3 12.339 -1.033 29.357 1.00 53.48 H new ATOM 0 HD2 LYS B 3 12.543 -0.758 26.927 1.00 50.35 H new ATOM 0 HD3 LYS B 3 13.979 -0.232 27.233 1.00 50.35 H new ATOM 0 HE2 LYS B 3 14.548 -2.324 28.161 1.00 59.85 H new ATOM 0 HE3 LYS B 3 13.111 -2.850 27.857 1.00 59.85 H new ATOM 0 HZ1 LYS B 3 14.746 -3.437 26.263 1.00 36.73 H new ATOM 0 HZ2 LYS B 3 13.545 -2.866 25.676 1.00 36.73 H new ATOM 0 HZ3 LYS B 3 14.745 -2.057 25.808 1.00 36.73 H new ATOM 998 N CYS B 4 14.123 2.384 26.660 1.00 42.69 N ATOM 999 CA CYS B 4 14.523 2.559 25.299 1.00 36.84 C ATOM 1000 C CYS B 4 14.222 1.256 24.581 1.00 36.95 C ATOM 1001 O CYS B 4 14.732 0.213 24.943 1.00 38.21 O ATOM 1002 CB CYS B 4 15.981 2.984 25.197 1.00 33.10 C ATOM 1003 SG CYS B 4 16.238 3.504 23.468 1.00 38.34 S ATOM 0 H CYS B 4 14.785 2.251 27.193 1.00 42.69 H new ATOM 0 HA CYS B 4 14.030 3.279 24.876 1.00 36.84 H new ATOM 0 HB2 CYS B 4 16.174 3.711 25.810 1.00 33.10 H new ATOM 0 HB3 CYS B 4 16.573 2.252 25.430 1.00 33.10 H new ATOM 1004 N SER B 5 13.262 1.285 23.672 1.00 35.27 N ATOM 1005 CA SER B 5 12.872 0.087 22.917 1.00 38.89 C ATOM 1006 C SER B 5 13.357 0.054 21.434 1.00 41.26 C ATOM 1007 O SER B 5 13.304 1.042 20.674 1.00 43.21 O ATOM 1008 CB SER B 5 11.375 -0.137 22.983 1.00 46.54 C ATOM 1009 OG SER B 5 11.009 -1.153 22.055 1.00 69.62 O ATOM 0 H SER B 5 12.815 1.992 23.470 1.00 35.27 H new ATOM 0 HA SER B 5 13.336 -0.641 23.359 1.00 38.89 H new ATOM 0 HB2 SER B 5 11.116 -0.396 23.881 1.00 46.54 H new ATOM 0 HB3 SER B 5 10.905 0.687 22.779 1.00 46.54 H new ATOM 0 HG SER B 5 10.179 -1.280 22.091 1.00 69.62 H new ATOM 1010 N LEU B 6 13.823 -1.111 20.982 1.00 33.73 N ATOM 1011 CA LEU B 6 14.342 -1.241 19.644 1.00 32.64 C ATOM 1012 C LEU B 6 13.274 -1.387 18.558 1.00 37.98 C ATOM 1013 O LEU B 6 13.492 -1.057 17.380 1.00 39.44 O ATOM 1014 CB LEU B 6 15.291 -2.434 19.661 1.00 34.00 C ATOM 1015 CG LEU B 6 16.763 -2.054 19.572 1.00 39.41 C ATOM 1016 CD1 LEU B 6 17.081 -1.069 20.642 1.00 37.42 C ATOM 1017 CD2 LEU B 6 17.545 -3.292 19.867 1.00 43.76 C ATOM 0 H LEU B 6 13.843 -1.835 21.445 1.00 33.73 H new ATOM 0 HA LEU B 6 14.797 -0.419 19.404 1.00 32.64 H new ATOM 0 HB2 LEU B 6 15.146 -2.940 20.476 1.00 34.00 H new ATOM 0 HB3 LEU B 6 15.072 -3.020 18.920 1.00 34.00 H new ATOM 0 HG LEU B 6 16.968 -1.681 18.700 1.00 39.41 H new ATOM 0 HD11 LEU B 6 18.018 -0.824 20.589 1.00 37.42 H new ATOM 0 HD12 LEU B 6 16.533 -0.277 20.526 1.00 37.42 H new ATOM 0 HD13 LEU B 6 16.899 -1.463 21.509 1.00 37.42 H new ATOM 0 HD21 LEU B 6 18.494 -3.094 19.821 1.00 43.76 H new ATOM 0 HD22 LEU B 6 17.324 -3.610 20.756 1.00 43.76 H new ATOM 0 HD23 LEU B 6 17.326 -3.976 19.216 1.00 43.76 H new ATOM 1018 N THR B 7 12.098 -1.890 18.972 1.00 35.13 N ATOM 1019 CA THR B 7 10.971 -2.126 18.070 1.00 35.33 C ATOM 1020 C THR B 7 10.466 -0.868 17.379 1.00 40.02 C ATOM 1021 O THR B 7 10.095 0.115 18.007 1.00 40.62 O ATOM 1022 CB THR B 7 9.838 -2.897 18.763 1.00 34.74 C ATOM 1023 OG1 THR B 7 10.325 -4.127 19.367 1.00 45.15 O ATOM 1024 CG2 THR B 7 8.694 -3.126 17.766 1.00 25.01 C ATOM 0 H THR B 7 11.938 -2.103 19.790 1.00 35.13 H new ATOM 0 HA THR B 7 11.317 -2.689 17.360 1.00 35.33 H new ATOM 0 HB THR B 7 9.488 -2.369 19.497 1.00 34.74 H new ATOM 0 HG1 THR B 7 10.545 -4.668 18.763 1.00 45.15 H new ATOM 0 HG21 THR B 7 7.977 -3.613 18.202 1.00 25.01 H new ATOM 0 HG22 THR B 7 8.360 -2.270 17.454 1.00 25.01 H new ATOM 0 HG23 THR B 7 9.021 -3.640 17.011 1.00 25.01 H new ATOM 1025 N GLY B 8 10.490 -0.829 16.074 1.00 33.57 N ATOM 1026 CA GLY B 8 10.006 0.390 15.465 1.00 34.30 C ATOM 1027 C GLY B 8 10.619 0.729 14.111 1.00 40.28 C ATOM 1028 O GLY B 8 11.165 -0.151 13.431 1.00 44.08 O ATOM 0 H GLY B 8 10.762 -1.450 15.545 1.00 33.57 H new ATOM 0 HA2 GLY B 8 9.044 0.322 15.360 1.00 34.30 H new ATOM 0 HA3 GLY B 8 10.174 1.127 16.073 1.00 34.30 H new ATOM 1029 N LYS B 9 10.459 2.024 13.749 1.00 34.77 N ATOM 1030 CA LYS B 9 11.002 2.637 12.541 1.00 37.33 C ATOM 1031 C LYS B 9 11.963 3.736 12.938 1.00 40.14 C ATOM 1032 O LYS B 9 11.639 4.578 13.778 1.00 37.52 O ATOM 1033 CB LYS B 9 9.998 3.151 11.505 1.00 41.49 C ATOM 1034 CG LYS B 9 8.888 2.148 11.201 1.00 44.63 C ATOM 1035 CD LYS B 9 8.866 1.715 9.745 0.00 55.19 C ATOM 1036 CE LYS B 9 10.014 2.296 8.936 0.00 66.42 C ATOM 1037 NZ LYS B 9 10.082 1.761 7.568 0.00 75.74 N ATOM 0 H LYS B 9 10.011 2.579 14.229 1.00 34.77 H new ATOM 0 HA LYS B 9 11.445 1.912 12.074 1.00 37.33 H new ATOM 0 HB2 LYS B 9 9.602 3.976 11.827 1.00 41.49 H new ATOM 0 HB3 LYS B 9 10.469 3.364 10.684 1.00 41.49 H new ATOM 0 HG2 LYS B 9 9.001 1.367 11.764 1.00 44.63 H new ATOM 0 HG3 LYS B 9 8.031 2.541 11.430 1.00 44.63 H new ATOM 0 HD2 LYS B 9 8.903 0.747 9.700 0.00 55.19 H new ATOM 0 HD3 LYS B 9 8.025 1.986 9.345 0.00 55.19 H new ATOM 0 HE2 LYS B 9 9.919 3.261 8.896 0.00 66.42 H new ATOM 0 HE3 LYS B 9 10.850 2.112 9.392 0.00 66.42 H new ATOM 0 HZ1 LYS B 9 10.768 2.131 7.138 0.00 75.74 H new ATOM 0 HZ2 LYS B 9 10.193 0.879 7.599 0.00 75.74 H new ATOM 0 HZ3 LYS B 9 9.326 1.949 7.138 0.00 75.74 H new ATOM 1038 N TRP B 10 13.135 3.672 12.326 1.00 31.96 N ATOM 1039 CA TRP B 10 14.214 4.577 12.597 1.00 29.55 C ATOM 1040 C TRP B 10 14.826 5.100 11.314 1.00 35.59 C ATOM 1041 O TRP B 10 14.859 4.434 10.287 1.00 33.40 O ATOM 1042 CB TRP B 10 15.329 3.731 13.241 1.00 26.13 C ATOM 1043 CG TRP B 10 14.871 2.991 14.438 1.00 28.63 C ATOM 1044 CD1 TRP B 10 14.395 1.702 14.526 1.00 31.29 C ATOM 1045 CD2 TRP B 10 14.942 3.519 15.765 1.00 29.34 C ATOM 1046 NE1 TRP B 10 14.123 1.403 15.853 1.00 32.55 N ATOM 1047 CE2 TRP B 10 14.478 2.520 16.633 1.00 34.63 C ATOM 1048 CE3 TRP B 10 15.387 4.746 16.290 1.00 30.96 C ATOM 1049 CZ2 TRP B 10 14.419 2.786 18.017 1.00 35.02 C ATOM 1050 CZ3 TRP B 10 15.315 5.001 17.652 1.00 29.15 C ATOM 1051 CH2 TRP B 10 14.861 4.022 18.498 1.00 29.38 C ATOM 0 H TRP B 10 13.321 3.083 11.728 1.00 31.96 H new ATOM 0 HA TRP B 10 13.884 5.310 13.140 1.00 29.55 H new ATOM 0 HB2 TRP B 10 15.669 3.101 12.587 1.00 26.13 H new ATOM 0 HB3 TRP B 10 16.067 4.310 13.487 1.00 26.13 H new ATOM 0 HD1 TRP B 10 14.275 1.123 13.808 1.00 31.29 H new ATOM 0 HE1 TRP B 10 13.795 0.665 16.148 1.00 32.55 H new ATOM 0 HE3 TRP B 10 15.733 5.393 15.718 1.00 30.96 H new ATOM 0 HZ2 TRP B 10 14.089 2.145 18.604 1.00 35.02 H new ATOM 0 HZ3 TRP B 10 15.572 5.829 17.988 1.00 29.15 H new ATOM 0 HH2 TRP B 10 14.847 4.184 19.414 1.00 29.38 H new ATOM 1052 N THR B 11 15.432 6.253 11.405 1.00 30.01 N ATOM 1053 CA THR B 11 16.110 6.748 10.267 1.00 31.08 C ATOM 1054 C THR B 11 17.478 7.251 10.757 1.00 37.36 C ATOM 1055 O THR B 11 17.644 7.508 11.940 1.00 36.87 O ATOM 1056 CB THR B 11 15.227 7.839 9.608 1.00 33.96 C ATOM 1057 OG1 THR B 11 15.911 8.346 8.500 1.00 39.06 O ATOM 1058 CG2 THR B 11 15.162 8.938 10.628 1.00 28.50 C ATOM 0 H THR B 11 15.459 6.751 12.106 1.00 30.01 H new ATOM 0 HA THR B 11 16.266 6.080 9.581 1.00 31.08 H new ATOM 0 HB THR B 11 14.357 7.504 9.341 1.00 33.96 H new ATOM 0 HG1 THR B 11 15.738 7.877 7.825 1.00 39.06 H new ATOM 0 HG21 THR B 11 14.620 9.666 10.285 1.00 28.50 H new ATOM 0 HG22 THR B 11 14.766 8.598 11.446 1.00 28.50 H new ATOM 0 HG23 THR B 11 16.058 9.261 10.813 1.00 28.50 H new ATOM 1059 N ASN B 12 18.451 7.377 9.868 1.00 35.54 N ATOM 1060 CA ASN B 12 19.766 7.869 10.213 1.00 39.70 C ATOM 1061 C ASN B 12 20.213 9.125 9.526 1.00 49.16 C ATOM 1062 O ASN B 12 19.461 9.774 8.773 1.00 54.82 O ATOM 1063 CB ASN B 12 20.937 6.854 10.182 1.00 55.25 C ATOM 1064 CG ASN B 12 21.350 6.426 8.791 1.00 70.41 C ATOM 1065 OD1 ASN B 12 21.082 7.094 7.781 1.00 36.81 O ATOM 1066 ND2 ASN B 12 21.882 5.215 8.741 1.00 74.57 N ATOM 0 H ASN B 12 18.362 7.175 9.037 1.00 35.54 H new ATOM 0 HA ASN B 12 19.579 8.074 11.143 1.00 39.70 H new ATOM 0 HB2 ASN B 12 21.703 7.246 10.630 1.00 55.25 H new ATOM 0 HB3 ASN B 12 20.683 6.067 10.690 1.00 55.25 H new ATOM 0 HD21 ASN B 12 22.059 4.854 7.981 1.00 74.57 H new ATOM 0 HD22 ASN B 12 22.051 4.789 9.469 1.00 74.57 H new ATOM 1067 N ASP B 13 21.487 9.417 9.877 1.00 51.25 N ATOM 1068 CA ASP B 13 22.340 10.571 9.468 1.00 54.04 C ATOM 1069 C ASP B 13 22.650 10.665 7.915 1.00 59.24 C ATOM 1070 O ASP B 13 22.999 11.713 7.322 1.00 56.49 O ATOM 1071 CB ASP B 13 23.569 10.759 10.471 1.00 53.67 C ATOM 1072 CG ASP B 13 24.537 9.566 10.740 1.00 46.93 C ATOM 1073 OD1 ASP B 13 24.225 8.519 11.254 1.00 40.56 O ATOM 1074 OD2 ASP B 13 25.795 9.769 10.409 1.00 61.62 O ATOM 0 H ASP B 13 21.915 8.896 10.411 1.00 51.25 H new ATOM 0 HA ASP B 13 21.809 11.376 9.572 1.00 54.04 H new ATOM 0 HB2 ASP B 13 24.104 11.497 10.139 1.00 53.67 H new ATOM 0 HB3 ASP B 13 23.205 11.035 11.327 1.00 53.67 H new ATOM 1075 N LEU B 14 22.464 9.520 7.235 1.00 57.32 N ATOM 1076 CA LEU B 14 22.688 9.369 5.818 1.00 56.20 C ATOM 1077 C LEU B 14 21.444 9.103 5.009 1.00 52.61 C ATOM 1078 O LEU B 14 21.621 8.775 3.860 1.00 53.97 O ATOM 1079 CB LEU B 14 23.574 8.131 5.517 1.00 59.12 C ATOM 1080 CG LEU B 14 25.017 8.208 6.031 1.00 67.90 C ATOM 1081 CD1 LEU B 14 25.898 7.233 5.258 0.00 68.12 C ATOM 1082 CD2 LEU B 14 25.550 9.627 5.878 0.00 70.43 C ATOM 0 H LEU B 14 22.195 8.796 7.613 1.00 57.32 H new ATOM 0 HA LEU B 14 23.088 10.218 5.572 1.00 56.20 H new ATOM 0 HB2 LEU B 14 23.151 7.349 5.904 1.00 59.12 H new ATOM 0 HB3 LEU B 14 23.596 7.995 4.557 1.00 59.12 H new ATOM 0 HG LEU B 14 25.030 7.967 6.971 1.00 67.90 H new ATOM 0 HD11 LEU B 14 26.808 7.287 5.588 0.00 68.12 H new ATOM 0 HD12 LEU B 14 25.564 6.330 5.378 0.00 68.12 H new ATOM 0 HD13 LEU B 14 25.883 7.460 4.315 0.00 68.12 H new ATOM 0 HD21 LEU B 14 26.462 9.667 6.205 0.00 70.43 H new ATOM 0 HD22 LEU B 14 25.531 9.881 4.942 0.00 70.43 H new ATOM 0 HD23 LEU B 14 24.996 10.238 6.389 0.00 70.43 H new ATOM 1083 N GLY B 15 20.216 9.113 5.516 1.00 43.14 N ATOM 1084 CA GLY B 15 19.177 8.772 4.545 1.00 44.62 C ATOM 1085 C GLY B 15 18.631 7.305 4.588 1.00 54.23 C ATOM 1086 O GLY B 15 17.507 7.016 4.144 1.00 59.34 O ATOM 0 H GLY B 15 19.976 9.292 6.322 1.00 43.14 H new ATOM 0 HA2 GLY B 15 18.430 9.377 4.675 1.00 44.62 H new ATOM 0 HA3 GLY B 15 19.526 8.939 3.656 1.00 44.62 H new ATOM 1087 N SER B 16 19.397 6.359 5.144 1.00 42.73 N ATOM 1088 CA SER B 16 18.973 4.967 5.286 1.00 38.30 C ATOM 1089 C SER B 16 17.871 4.811 6.366 1.00 38.64 C ATOM 1090 O SER B 16 17.799 5.638 7.292 1.00 37.11 O ATOM 1091 CB SER B 16 20.204 4.088 5.562 1.00 40.25 C ATOM 1092 OG SER B 16 21.281 4.460 4.685 1.00 53.79 O ATOM 0 H SER B 16 20.185 6.513 5.451 1.00 42.73 H new ATOM 0 HA SER B 16 18.568 4.669 4.456 1.00 38.30 H new ATOM 0 HB2 SER B 16 20.481 4.187 6.486 1.00 40.25 H new ATOM 0 HB3 SER B 16 19.979 3.153 5.432 1.00 40.25 H new ATOM 0 HG SER B 16 21.950 3.977 4.842 1.00 53.79 H new ATOM 1093 N ASN B 17 16.977 3.786 6.262 1.00 33.35 N ATOM 1094 CA ASN B 17 15.931 3.551 7.271 1.00 33.35 C ATOM 1095 C ASN B 17 15.906 2.113 7.710 1.00 37.47 C ATOM 1096 O ASN B 17 16.288 1.216 6.993 1.00 36.42 O ATOM 1097 CB ASN B 17 14.447 3.850 6.921 1.00 38.99 C ATOM 1098 CG ASN B 17 14.173 5.135 6.159 1.00 75.66 C ATOM 1099 OD1 ASN B 17 14.775 6.191 6.372 1.00 59.61 O ATOM 1100 ND2 ASN B 17 13.179 5.080 5.296 1.00 94.08 N ATOM 0 H ASN B 17 16.970 3.224 5.611 1.00 33.35 H new ATOM 0 HA ASN B 17 16.212 4.200 7.935 1.00 33.35 H new ATOM 0 HB2 ASN B 17 14.104 3.109 6.398 1.00 38.99 H new ATOM 0 HB3 ASN B 17 13.940 3.874 7.747 1.00 38.99 H new ATOM 0 HD21 ASN B 17 12.940 5.788 4.870 1.00 94.08 H new ATOM 0 HD22 ASN B 17 12.769 4.336 5.159 1.00 94.08 H new ATOM 1101 N MET B 18 15.376 1.870 8.871 1.00 33.88 N ATOM 1102 CA MET B 18 15.268 0.492 9.177 1.00 36.35 C ATOM 1103 C MET B 18 14.040 0.172 9.996 1.00 36.15 C ATOM 1104 O MET B 18 13.538 0.961 10.800 1.00 32.28 O ATOM 1105 CB MET B 18 16.554 -0.099 9.726 1.00 40.14 C ATOM 1106 CG MET B 18 16.852 0.329 11.151 1.00 41.37 C ATOM 1107 SD MET B 18 18.152 -0.654 12.000 1.00 37.93 S ATOM 1108 CE MET B 18 18.219 0.455 13.427 1.00 29.25 C ATOM 0 H MET B 18 15.094 2.437 9.453 1.00 33.88 H new ATOM 0 HA MET B 18 15.132 0.035 8.332 1.00 36.35 H new ATOM 0 HB2 MET B 18 16.499 -1.067 9.691 1.00 40.14 H new ATOM 0 HB3 MET B 18 17.293 0.164 9.155 1.00 40.14 H new ATOM 0 HG2 MET B 18 17.122 1.261 11.145 1.00 41.37 H new ATOM 0 HG3 MET B 18 16.034 0.274 11.669 1.00 41.37 H new ATOM 0 HE1 MET B 18 18.728 0.037 14.139 1.00 29.25 H new ATOM 0 HE2 MET B 18 18.646 1.287 13.170 1.00 29.25 H new ATOM 0 HE3 MET B 18 17.319 0.637 13.738 1.00 29.25 H new ATOM 1109 N THR B 19 13.496 -0.998 9.790 1.00 32.90 N ATOM 1110 CA THR B 19 12.380 -1.270 10.669 1.00 34.14 C ATOM 1111 C THR B 19 12.632 -2.516 11.448 1.00 34.73 C ATOM 1112 O THR B 19 13.086 -3.535 10.935 1.00 37.24 O ATOM 1113 CB THR B 19 10.926 -1.173 10.151 1.00 51.55 C ATOM 1114 OG1 THR B 19 10.277 -2.399 10.367 1.00 46.30 O ATOM 1115 CG2 THR B 19 10.806 -0.720 8.705 1.00 48.37 C ATOM 0 H THR B 19 13.720 -1.596 9.214 1.00 32.90 H new ATOM 0 HA THR B 19 12.379 -0.482 11.235 1.00 34.14 H new ATOM 0 HB THR B 19 10.488 -0.472 10.659 1.00 51.55 H new ATOM 0 HG1 THR B 19 9.486 -2.351 10.088 1.00 46.30 H new ATOM 0 HG21 THR B 19 9.870 -0.684 8.454 1.00 48.37 H new ATOM 0 HG22 THR B 19 11.201 0.161 8.608 1.00 48.37 H new ATOM 0 HG23 THR B 19 11.271 -1.348 8.129 1.00 48.37 H new ATOM 1116 N ILE B 20 12.374 -2.422 12.710 1.00 31.93 N ATOM 1117 CA ILE B 20 12.658 -3.582 13.494 1.00 33.16 C ATOM 1118 C ILE B 20 11.399 -4.202 14.060 1.00 37.79 C ATOM 1119 O ILE B 20 10.575 -3.472 14.540 1.00 37.72 O ATOM 1120 CB ILE B 20 13.633 -3.203 14.597 1.00 34.37 C ATOM 1121 CG1 ILE B 20 15.053 -2.992 14.034 1.00 29.33 C ATOM 1122 CG2 ILE B 20 13.577 -4.217 15.759 1.00 31.14 C ATOM 1123 CD1 ILE B 20 15.873 -2.085 14.939 1.00 49.45 C ATOM 0 H ILE B 20 12.052 -1.739 13.122 1.00 31.93 H new ATOM 0 HA ILE B 20 13.061 -4.256 12.924 1.00 33.16 H new ATOM 0 HB ILE B 20 13.363 -2.350 14.971 1.00 34.37 H new ATOM 0 HG12 ILE B 20 15.498 -3.849 13.942 1.00 29.33 H new ATOM 0 HG13 ILE B 20 14.998 -2.604 13.147 1.00 29.33 H new ATOM 0 HG21 ILE B 20 14.206 -3.954 16.449 1.00 31.14 H new ATOM 0 HG22 ILE B 20 12.681 -4.235 16.130 1.00 31.14 H new ATOM 0 HG23 ILE B 20 13.808 -5.100 15.430 1.00 31.14 H new ATOM 0 HD11 ILE B 20 16.760 -1.969 14.563 1.00 49.45 H new ATOM 0 HD12 ILE B 20 15.438 -1.221 15.012 1.00 49.45 H new ATOM 0 HD13 ILE B 20 15.945 -2.486 15.819 1.00 49.45 H new ATOM 1124 N GLY B 21 11.274 -5.531 14.062 1.00 28.93 N ATOM 1125 CA GLY B 21 10.088 -6.140 14.629 1.00 32.81 C ATOM 1126 C GLY B 21 10.047 -6.204 16.177 1.00 48.90 C ATOM 1127 O GLY B 21 10.818 -5.578 16.923 1.00 49.11 O ATOM 0 H GLY B 21 11.855 -6.081 13.746 1.00 28.93 H new ATOM 0 HA2 GLY B 21 9.311 -5.648 14.320 1.00 32.81 H new ATOM 0 HA3 GLY B 21 10.009 -7.042 14.281 1.00 32.81 H new ATOM 1128 N ALA B 22 9.131 -7.027 16.690 1.00 48.16 N ATOM 1129 CA ALA B 22 8.997 -7.212 18.126 1.00 43.19 C ATOM 1130 C ALA B 22 10.154 -8.000 18.687 1.00 35.93 C ATOM 1131 O ALA B 22 10.701 -8.926 18.103 1.00 31.39 O ATOM 1132 CB ALA B 22 7.661 -7.830 18.493 1.00 42.37 C ATOM 0 H ALA B 22 8.578 -7.487 16.218 1.00 48.16 H new ATOM 0 HA ALA B 22 9.020 -6.333 18.535 1.00 43.19 H new ATOM 0 HB1 ALA B 22 7.608 -7.938 19.455 1.00 42.37 H new ATOM 0 HB2 ALA B 22 6.943 -7.251 18.193 1.00 42.37 H new ATOM 0 HB3 ALA B 22 7.577 -8.697 18.066 1.00 42.37 H new ATOM 1133 N VAL B 23 10.562 -7.605 19.834 1.00 34.44 N ATOM 1134 CA VAL B 23 11.669 -8.354 20.373 1.00 38.13 C ATOM 1135 C VAL B 23 11.130 -9.494 21.213 1.00 42.04 C ATOM 1136 O VAL B 23 10.251 -9.304 21.988 1.00 45.74 O ATOM 1137 CB VAL B 23 12.562 -7.413 21.204 1.00 39.96 C ATOM 1138 CG1 VAL B 23 13.673 -8.191 21.919 1.00 39.54 C ATOM 1139 CG2 VAL B 23 13.035 -6.183 20.391 1.00 34.36 C ATOM 0 H VAL B 23 10.252 -6.955 20.305 1.00 34.44 H new ATOM 0 HA VAL B 23 12.209 -8.729 19.659 1.00 38.13 H new ATOM 0 HB VAL B 23 12.026 -7.028 21.915 1.00 39.96 H new ATOM 0 HG11 VAL B 23 14.219 -7.576 22.434 1.00 39.54 H new ATOM 0 HG12 VAL B 23 13.277 -8.847 22.514 1.00 39.54 H new ATOM 0 HG13 VAL B 23 14.226 -8.642 21.262 1.00 39.54 H new ATOM 0 HG21 VAL B 23 13.592 -5.620 20.951 1.00 34.36 H new ATOM 0 HG22 VAL B 23 13.546 -6.480 19.622 1.00 34.36 H new ATOM 0 HG23 VAL B 23 12.264 -5.677 20.091 1.00 34.36 H new ATOM 1140 N ASN B 24 11.627 -10.683 21.112 1.00 40.30 N ATOM 1141 CA ASN B 24 11.041 -11.713 21.944 1.00 40.00 C ATOM 1142 C ASN B 24 11.650 -11.848 23.330 1.00 49.22 C ATOM 1143 O ASN B 24 12.555 -11.101 23.714 1.00 48.81 O ATOM 1144 CB ASN B 24 10.965 -13.073 21.242 1.00 34.52 C ATOM 1145 CG ASN B 24 12.253 -13.787 21.026 1.00 49.82 C ATOM 1146 OD1 ASN B 24 13.219 -13.708 21.819 1.00 42.69 O ATOM 1147 ND2 ASN B 24 12.218 -14.517 19.913 1.00 45.65 N ATOM 0 H ASN B 24 12.273 -10.924 20.598 1.00 40.30 H new ATOM 0 HA ASN B 24 10.136 -11.396 22.089 1.00 40.00 H new ATOM 0 HB2 ASN B 24 10.383 -13.649 21.761 1.00 34.52 H new ATOM 0 HB3 ASN B 24 10.541 -12.945 20.379 1.00 34.52 H new ATOM 0 HD21 ASN B 24 12.900 -14.989 19.687 1.00 45.65 H new ATOM 0 HD22 ASN B 24 11.513 -14.517 19.421 1.00 45.65 H new ATOM 1148 N SER B 25 11.136 -12.814 24.092 1.00 51.90 N ATOM 1149 CA SER B 25 11.603 -13.039 25.460 1.00 55.24 C ATOM 1150 C SER B 25 13.095 -13.377 25.636 1.00 59.19 C ATOM 1151 O SER B 25 13.618 -13.012 26.685 1.00 62.81 O ATOM 1152 CB SER B 25 10.685 -13.873 26.324 1.00 63.51 C ATOM 1153 OG SER B 25 10.542 -15.132 25.687 1.00 84.19 O ATOM 0 H SER B 25 10.515 -13.351 23.835 1.00 51.90 H new ATOM 0 HA SER B 25 11.541 -12.141 25.822 1.00 55.24 H new ATOM 0 HB2 SER B 25 11.055 -13.979 27.214 1.00 63.51 H new ATOM 0 HB3 SER B 25 9.823 -13.440 26.425 1.00 63.51 H new ATOM 0 HG SER B 25 10.036 -15.622 26.145 1.00 84.19 H new ATOM 1154 N ARG B 26 13.779 -14.029 24.638 1.00 50.16 N ATOM 1155 CA ARG B 26 15.233 -14.327 24.647 1.00 46.52 C ATOM 1156 C ARG B 26 16.048 -13.071 24.171 1.00 44.60 C ATOM 1157 O ARG B 26 17.277 -13.084 23.961 1.00 45.32 O ATOM 1158 CB ARG B 26 15.583 -15.500 23.709 1.00 52.38 C ATOM 1159 CG ARG B 26 14.963 -16.877 24.021 1.00 71.34 C ATOM 1160 CD ARG B 26 14.606 -17.716 22.770 1.00 76.77 C ATOM 1161 NE ARG B 26 14.916 -19.135 22.924 0.00 85.55 N ATOM 1162 CZ ARG B 26 16.082 -19.600 23.363 0.00 99.99 C ATOM 1163 NH1 ARG B 26 17.078 -18.790 23.711 0.00 87.42 N ATOM 1164 NH2 ARG B 26 16.255 -20.915 23.465 0.00 86.83 N ATOM 0 H ARG B 26 13.388 -14.311 23.926 1.00 50.16 H new ATOM 0 HA ARG B 26 15.465 -14.565 25.558 1.00 46.52 H new ATOM 0 HB2 ARG B 26 15.320 -15.251 22.809 1.00 52.38 H new ATOM 0 HB3 ARG B 26 16.548 -15.601 23.705 1.00 52.38 H new ATOM 0 HG2 ARG B 26 15.584 -17.382 24.569 1.00 71.34 H new ATOM 0 HG3 ARG B 26 14.160 -16.746 24.549 1.00 71.34 H new ATOM 0 HD2 ARG B 26 13.660 -17.616 22.579 1.00 76.77 H new ATOM 0 HD3 ARG B 26 15.088 -17.366 22.004 1.00 76.77 H new ATOM 0 HE ARG B 26 14.306 -19.705 22.718 0.00 85.55 H new ATOM 0 HH11 ARG B 26 16.978 -17.938 23.655 0.00 87.42 H new ATOM 0 HH12 ARG B 26 17.821 -19.119 23.992 0.00 87.42 H new ATOM 0 HH21 ARG B 26 15.618 -21.451 23.248 0.00 86.83 H new ATOM 0 HH22 ARG B 26 17.004 -21.230 23.747 0.00 86.83 H new ATOM 1165 N GLY B 27 15.336 -11.970 23.935 1.00 35.28 N ATOM 1166 CA GLY B 27 15.915 -10.751 23.418 1.00 37.18 C ATOM 1167 C GLY B 27 16.190 -10.791 21.862 1.00 37.79 C ATOM 1168 O GLY B 27 16.865 -9.920 21.308 1.00 33.39 O ATOM 0 H GLY B 27 14.489 -11.918 24.076 1.00 35.28 H new ATOM 0 HA2 GLY B 27 15.320 -10.011 23.615 1.00 37.18 H new ATOM 0 HA3 GLY B 27 16.749 -10.576 23.882 1.00 37.18 H new ATOM 1169 N GLU B 28 15.676 -11.814 21.171 1.00 35.82 N ATOM 1170 CA GLU B 28 15.813 -11.905 19.738 1.00 34.50 C ATOM 1171 C GLU B 28 14.847 -11.029 18.894 1.00 36.87 C ATOM 1172 O GLU B 28 13.698 -10.756 19.285 1.00 34.23 O ATOM 1173 CB GLU B 28 15.901 -13.344 19.271 1.00 34.85 C ATOM 1174 CG GLU B 28 16.481 -14.267 20.347 1.00 50.93 C ATOM 1175 CD GLU B 28 16.029 -15.717 20.284 1.00 57.62 C ATOM 1176 OE1 GLU B 28 14.992 -16.114 19.782 1.00 49.68 O ATOM 1177 OE2 GLU B 28 16.838 -16.505 20.935 1.00 54.04 O ATOM 0 H GLU B 28 15.243 -12.465 21.528 1.00 35.82 H new ATOM 0 HA GLU B 28 16.668 -11.486 19.554 1.00 34.50 H new ATOM 0 HB2 GLU B 28 15.017 -13.656 19.022 1.00 34.85 H new ATOM 0 HB3 GLU B 28 16.453 -13.391 18.475 1.00 34.85 H new ATOM 0 HG2 GLU B 28 17.449 -14.244 20.283 1.00 50.93 H new ATOM 0 HG3 GLU B 28 16.246 -13.910 21.218 1.00 50.93 H new ATOM 1178 N PHE B 29 15.382 -10.479 17.748 1.00 31.74 N ATOM 1179 CA PHE B 29 14.600 -9.671 16.829 1.00 27.62 C ATOM 1180 C PHE B 29 15.034 -9.780 15.383 1.00 30.29 C ATOM 1181 O PHE B 29 16.180 -10.066 15.053 1.00 29.01 O ATOM 1182 CB PHE B 29 14.447 -8.203 17.213 1.00 28.27 C ATOM 1183 CG PHE B 29 15.768 -7.514 17.238 1.00 31.07 C ATOM 1184 CD1 PHE B 29 16.352 -7.082 16.054 1.00 30.75 C ATOM 1185 CD2 PHE B 29 16.448 -7.291 18.438 1.00 32.12 C ATOM 1186 CE1 PHE B 29 17.597 -6.452 16.069 1.00 32.58 C ATOM 1187 CE2 PHE B 29 17.695 -6.671 18.482 1.00 33.49 C ATOM 1188 CZ PHE B 29 18.276 -6.260 17.278 1.00 31.73 C ATOM 0 H PHE B 29 16.203 -10.581 17.512 1.00 31.74 H new ATOM 0 HA PHE B 29 13.723 -10.076 16.915 1.00 27.62 H new ATOM 0 HB2 PHE B 29 13.860 -7.760 16.581 1.00 28.27 H new ATOM 0 HB3 PHE B 29 14.027 -8.136 18.085 1.00 28.27 H new ATOM 0 HD1 PHE B 29 15.910 -7.213 15.246 1.00 30.75 H new ATOM 0 HD2 PHE B 29 16.055 -7.566 19.235 1.00 32.12 H new ATOM 0 HE1 PHE B 29 17.977 -6.159 15.273 1.00 32.58 H new ATOM 0 HE2 PHE B 29 18.130 -6.534 19.292 1.00 33.49 H new ATOM 0 HZ PHE B 29 19.115 -5.858 17.281 1.00 31.73 H new ATOM 1189 N THR B 30 14.121 -9.441 14.516 1.00 30.05 N ATOM 1190 CA THR B 30 14.437 -9.357 13.083 1.00 34.76 C ATOM 1191 C THR B 30 13.927 -8.048 12.512 1.00 35.64 C ATOM 1192 O THR B 30 13.242 -7.284 13.185 1.00 32.80 O ATOM 1193 CB THR B 30 13.978 -10.517 12.156 1.00 56.72 C ATOM 1194 OG1 THR B 30 14.713 -10.449 10.924 1.00 62.60 O ATOM 1195 CG2 THR B 30 12.485 -10.335 11.857 1.00 48.65 C ATOM 0 H THR B 30 13.307 -9.252 14.717 1.00 30.05 H new ATOM 0 HA THR B 30 15.405 -9.425 13.081 1.00 34.76 H new ATOM 0 HB THR B 30 14.134 -11.373 12.584 1.00 56.72 H new ATOM 0 HG1 THR B 30 15.522 -10.292 11.088 1.00 62.60 H new ATOM 0 HG21 THR B 30 12.181 -11.052 11.278 1.00 48.65 H new ATOM 0 HG22 THR B 30 11.984 -10.355 12.687 1.00 48.65 H new ATOM 0 HG23 THR B 30 12.345 -9.483 11.416 1.00 48.65 H new ATOM 1196 N GLY B 31 14.280 -7.739 11.260 1.00 33.05 N ATOM 1197 CA GLY B 31 13.820 -6.454 10.769 1.00 32.07 C ATOM 1198 C GLY B 31 14.272 -6.278 9.349 1.00 30.94 C ATOM 1199 O GLY B 31 14.821 -7.207 8.809 1.00 29.75 O ATOM 0 H GLY B 31 14.747 -8.220 10.722 1.00 33.05 H new ATOM 0 HA2 GLY B 31 12.853 -6.403 10.821 1.00 32.07 H new ATOM 0 HA3 GLY B 31 14.171 -5.739 11.323 1.00 32.07 H new ATOM 1200 N THR B 32 14.138 -5.063 8.833 1.00 31.15 N ATOM 1201 CA THR B 32 14.560 -4.739 7.481 1.00 30.88 C ATOM 1202 C THR B 32 15.335 -3.450 7.441 1.00 33.44 C ATOM 1203 O THR B 32 15.001 -2.441 8.086 1.00 35.92 O ATOM 1204 CB THR B 32 13.335 -4.460 6.577 1.00 46.13 C ATOM 1205 OG1 THR B 32 12.249 -5.245 6.958 1.00 72.21 O ATOM 1206 CG2 THR B 32 13.670 -4.687 5.114 1.00 38.34 C ATOM 0 H THR B 32 13.797 -4.400 9.262 1.00 31.15 H new ATOM 0 HA THR B 32 15.088 -5.497 7.183 1.00 30.88 H new ATOM 0 HB THR B 32 13.092 -3.527 6.688 1.00 46.13 H new ATOM 0 HG1 THR B 32 11.594 -5.079 6.458 1.00 72.21 H new ATOM 0 HG21 THR B 32 12.887 -4.506 4.571 1.00 38.34 H new ATOM 0 HG22 THR B 32 14.390 -4.093 4.851 1.00 38.34 H new ATOM 0 HG23 THR B 32 13.947 -5.608 4.984 1.00 38.34 H new ATOM 1207 N TYR B 33 16.318 -3.494 6.559 1.00 30.16 N ATOM 1208 CA TYR B 33 17.194 -2.355 6.303 1.00 30.22 C ATOM 1209 C TYR B 33 16.997 -1.865 4.869 1.00 30.69 C ATOM 1210 O TYR B 33 17.151 -2.636 3.898 1.00 32.47 O ATOM 1211 CB TYR B 33 18.695 -2.789 6.487 1.00 32.50 C ATOM 1212 CG TYR B 33 19.606 -1.631 6.837 1.00 29.48 C ATOM 1213 CD1 TYR B 33 20.123 -0.764 5.875 1.00 30.08 C ATOM 1214 CD2 TYR B 33 19.853 -1.364 8.173 1.00 31.16 C ATOM 1215 CE1 TYR B 33 20.924 0.318 6.225 1.00 31.78 C ATOM 1216 CE2 TYR B 33 20.667 -0.298 8.545 1.00 33.80 C ATOM 1217 CZ TYR B 33 21.191 0.547 7.575 1.00 40.05 C ATOM 1218 OH TYR B 33 22.008 1.580 7.985 1.00 36.65 O ATOM 0 H TYR B 33 16.501 -4.189 6.086 1.00 30.16 H new ATOM 0 HA TYR B 33 16.977 -1.645 6.927 1.00 30.22 H new ATOM 0 HB2 TYR B 33 18.749 -3.460 7.186 1.00 32.50 H new ATOM 0 HB3 TYR B 33 19.009 -3.205 5.669 1.00 32.50 H new ATOM 0 HD1 TYR B 33 19.928 -0.913 4.978 1.00 30.08 H new ATOM 0 HD2 TYR B 33 19.471 -1.902 8.828 1.00 31.16 H new ATOM 0 HE1 TYR B 33 21.275 0.878 5.571 1.00 31.78 H new ATOM 0 HE2 TYR B 33 20.860 -0.152 9.443 1.00 33.80 H new ATOM 0 HH TYR B 33 22.063 1.578 8.823 1.00 36.65 H new ATOM 1219 N ILE B 34 16.700 -0.587 4.790 1.00 27.19 N ATOM 1220 CA ILE B 34 16.408 0.174 3.579 1.00 32.45 C ATOM 1221 C ILE B 34 17.371 1.340 3.333 1.00 46.08 C ATOM 1222 O ILE B 34 17.492 2.235 4.169 1.00 38.45 O ATOM 1223 CB ILE B 34 15.015 0.783 3.689 1.00 38.30 C ATOM 1224 CG1 ILE B 34 13.949 -0.240 4.108 1.00 36.56 C ATOM 1225 CG2 ILE B 34 14.670 1.310 2.318 1.00 43.38 C ATOM 1226 CD1 ILE B 34 12.541 0.187 3.712 0.00 44.31 C ATOM 0 H ILE B 34 16.658 -0.095 5.494 1.00 27.19 H new ATOM 0 HA ILE B 34 16.492 -0.457 2.847 1.00 32.45 H new ATOM 0 HB ILE B 34 15.024 1.473 4.371 1.00 38.30 H new ATOM 0 HG12 ILE B 34 14.150 -1.097 3.701 1.00 36.56 H new ATOM 0 HG13 ILE B 34 13.987 -0.367 5.069 1.00 36.56 H new ATOM 0 HG21 ILE B 34 13.786 1.710 2.338 1.00 43.38 H new ATOM 0 HG22 ILE B 34 15.321 1.979 2.055 1.00 43.38 H new ATOM 0 HG23 ILE B 34 14.680 0.581 1.679 1.00 43.38 H new ATOM 0 HD11 ILE B 34 11.906 -0.488 3.997 0.00 44.31 H new ATOM 0 HD12 ILE B 34 12.327 1.032 4.138 0.00 44.31 H new ATOM 0 HD13 ILE B 34 12.493 0.290 2.749 0.00 44.31 H new ATOM 1227 N THR B 35 18.037 1.334 2.158 1.00 56.61 N ATOM 1228 CA THR B 35 19.003 2.358 1.721 1.00 60.76 C ATOM 1229 C THR B 35 19.161 2.430 0.177 1.00 74.34 C ATOM 1230 O THR B 35 18.441 1.737 -0.569 1.00 69.40 O ATOM 1231 CB THR B 35 20.382 2.125 2.387 1.00 59.08 C ATOM 1232 OG1 THR B 35 21.252 3.197 2.083 0.00 58.59 O ATOM 1233 CG2 THR B 35 20.945 0.823 1.825 1.00 49.97 C ATOM 0 H THR B 35 17.931 0.709 1.577 1.00 56.61 H new ATOM 0 HA THR B 35 18.643 3.212 2.007 1.00 60.76 H new ATOM 0 HB THR B 35 20.292 2.072 3.351 1.00 59.08 H new ATOM 0 HG1 THR B 35 21.997 3.066 2.448 0.00 58.59 H new ATOM 0 HG21 THR B 35 21.812 0.647 2.223 1.00 49.97 H new ATOM 0 HG22 THR B 35 20.340 0.093 2.031 1.00 49.97 H new ATOM 0 HG23 THR B 35 21.041 0.900 0.863 1.00 49.97 H new ATOM 1234 N ALA B 36 20.148 3.264 -0.266 1.00 81.00 N ATOM 1235 CA ALA B 36 20.558 3.530 -1.657 1.00 81.28 C ATOM 1236 C ALA B 36 22.023 3.925 -1.710 0.00 84.41 C ATOM 1237 O ALA B 36 22.564 4.250 -2.766 0.00 83.91 O ATOM 1238 CB ALA B 36 19.684 4.605 -2.280 0.00 82.04 C ATOM 0 H ALA B 36 20.622 3.716 0.291 1.00 81.00 H new ATOM 0 HA ALA B 36 20.443 2.716 -2.172 1.00 81.28 H new ATOM 0 HB1 ALA B 36 19.969 4.765 -3.193 0.00 82.04 H new ATOM 0 HB2 ALA B 36 18.759 4.312 -2.277 0.00 82.04 H new ATOM 0 HB3 ALA B 36 19.765 5.425 -1.768 0.00 82.04 H new ATOM 1239 N VAL B 37 22.652 3.892 -0.538 0.00 80.44 N ATOM 1240 CA VAL B 37 24.050 4.240 -0.394 0.00 79.99 C ATOM 1241 C VAL B 37 24.964 3.077 -0.745 0.00 82.95 C ATOM 1242 O VAL B 37 24.630 2.234 -1.575 0.00 82.49 O ATOM 1243 CB VAL B 37 24.360 4.774 1.000 0.00 83.99 C ATOM 1244 CG1 VAL B 37 23.460 5.963 1.313 0.00 83.82 C ATOM 1245 CG2 VAL B 37 24.153 3.677 2.037 0.00 83.83 C ATOM 0 H VAL B 37 22.271 3.664 0.199 0.00 80.44 H new ATOM 0 HA VAL B 37 24.225 4.952 -1.029 0.00 79.99 H new ATOM 0 HB VAL B 37 25.286 5.063 1.028 0.00 83.99 H new ATOM 0 HG11 VAL B 37 23.662 6.297 2.201 0.00 83.82 H new ATOM 0 HG12 VAL B 37 23.612 6.665 0.661 0.00 83.82 H new ATOM 0 HG13 VAL B 37 22.532 5.685 1.277 0.00 83.82 H new ATOM 0 HG21 VAL B 37 24.352 4.025 2.920 0.00 83.83 H new ATOM 0 HG22 VAL B 37 23.232 3.375 2.009 0.00 83.83 H new ATOM 0 HG23 VAL B 37 24.743 2.932 1.843 0.00 83.83 H new ATOM 1246 N THR B 38 26.126 3.044 -0.099 0.00 78.79 N ATOM 1247 CA THR B 38 27.102 1.999 -0.334 0.00 78.21 C ATOM 1248 C THR B 38 27.785 2.166 -1.681 0.00 80.99 C ATOM 1249 O THR B 38 28.981 2.448 -1.757 0.00 80.53 O ATOM 1250 CB THR B 38 26.485 0.594 -0.203 0.00 86.42 C ATOM 1251 OG1 THR B 38 25.911 0.200 -1.433 0.00 86.04 O ATOM 1252 CG2 THR B 38 25.424 0.591 0.891 0.00 85.06 C ATOM 0 H THR B 38 26.366 3.627 0.486 0.00 78.79 H new ATOM 0 HA THR B 38 27.777 2.087 0.357 0.00 78.21 H new ATOM 0 HB THR B 38 27.184 -0.035 0.034 0.00 86.42 H new ATOM 0 HG1 THR B 38 25.578 -0.567 -1.354 0.00 86.04 H new ATOM 0 HG21 THR B 38 25.040 -0.297 0.967 0.00 85.06 H new ATOM 0 HG22 THR B 38 25.829 0.841 1.736 0.00 85.06 H new ATOM 0 HG23 THR B 38 24.726 1.226 0.667 0.00 85.06 H new ATOM 1253 N ALA B 39 27.001 1.998 -2.743 0.00 76.68 N ATOM 1254 CA ALA B 39 27.491 2.130 -4.102 0.00 76.03 C ATOM 1255 C ALA B 39 26.435 1.730 -5.120 0.00 78.46 C ATOM 1256 O ALA B 39 26.638 1.845 -6.328 0.00 78.02 O ATOM 1257 CB ALA B 39 28.766 1.325 -4.303 0.00 76.79 C ATOM 0 H ALA B 39 26.165 1.803 -2.690 0.00 76.68 H new ATOM 0 HA ALA B 39 27.697 3.067 -4.245 0.00 76.03 H new ATOM 0 HB1 ALA B 39 29.074 1.429 -5.217 0.00 76.79 H new ATOM 0 HB2 ALA B 39 29.450 1.644 -3.694 0.00 76.79 H new ATOM 0 HB3 ALA B 39 28.588 0.388 -4.127 0.00 76.79 H new ATOM 1258 N THR B 40 25.302 1.255 -4.611 0.00 73.86 N ATOM 1259 CA THR B 40 24.197 0.826 -5.447 0.00 73.07 C ATOM 1260 C THR B 40 23.297 1.988 -5.840 0.00 75.22 C ATOM 1261 O THR B 40 22.604 2.559 -5.001 0.00 74.77 O ATOM 1262 CB THR B 40 23.383 -0.292 -4.768 0.00 81.32 C ATOM 1263 OG1 THR B 40 22.126 -0.429 -5.402 0.00 80.95 O ATOM 1264 CG2 THR B 40 23.188 0.028 -3.290 0.00 79.97 C ATOM 0 H THR B 40 25.156 1.174 -3.767 0.00 73.86 H new ATOM 0 HA THR B 40 24.582 0.467 -6.262 0.00 73.07 H new ATOM 0 HB THR B 40 23.869 -1.127 -4.848 0.00 81.32 H new ATOM 0 HG1 THR B 40 21.688 -1.041 -5.028 0.00 80.95 H new ATOM 0 HG21 THR B 40 22.675 -0.680 -2.870 0.00 79.97 H new ATOM 0 HG22 THR B 40 24.053 0.100 -2.857 0.00 79.97 H new ATOM 0 HG23 THR B 40 22.712 0.868 -3.201 0.00 79.97 H new ATOM 1265 N SER B 41 23.303 2.330 -7.128 0.00 70.38 N ATOM 1266 CA SER B 41 22.484 3.424 -7.619 0.00 69.45 C ATOM 1267 C SER B 41 21.005 3.160 -7.436 0.00 71.24 C ATOM 1268 O SER B 41 20.447 3.363 -6.360 0.00 70.80 O ATOM 1269 CB SER B 41 22.759 3.785 -9.069 0.00 73.06 C ATOM 1270 OG SER B 41 21.664 4.499 -9.605 0.00 81.86 O ATOM 0 H SER B 41 23.776 1.938 -7.730 0.00 70.38 H new ATOM 0 HA SER B 41 22.740 4.184 -7.073 0.00 69.45 H new ATOM 0 HB2 SER B 41 23.565 4.321 -9.129 0.00 73.06 H new ATOM 0 HB3 SER B 41 22.914 2.980 -9.587 0.00 73.06 H new ATOM 0 HG SER B 41 21.823 4.697 -10.406 0.00 81.86 H new ATOM 1271 N ASN B 42 20.375 2.707 -8.515 0.00 66.13 N ATOM 1272 CA ASN B 42 18.957 2.433 -8.485 0.00 65.06 C ATOM 1273 C ASN B 42 18.252 3.469 -7.631 0.00 66.57 C ATOM 1274 O ASN B 42 18.649 4.632 -7.594 0.00 66.13 O ATOM 1275 CB ASN B 42 18.646 1.003 -8.007 0.00 66.00 C ATOM 1276 CG ASN B 42 17.614 0.303 -8.869 0.00 89.31 C ATOM 1277 OD1 ASN B 42 17.667 0.367 -10.106 0.00 83.73 O ATOM 1278 ND2 ASN B 42 16.662 -0.359 -8.218 0.00 81.27 N ATOM 0 H ASN B 42 20.756 2.554 -9.271 0.00 66.13 H new ATOM 0 HA ASN B 42 18.622 2.493 -9.393 0.00 65.06 H new ATOM 0 HB2 ASN B 42 19.465 0.483 -8.004 0.00 66.00 H new ATOM 0 HB3 ASN B 42 18.327 1.035 -7.091 0.00 66.00 H new ATOM 0 HD21 ASN B 42 16.046 -0.768 -8.657 0.00 81.27 H new ATOM 0 HD22 ASN B 42 16.663 -0.378 -7.358 0.00 81.27 H new ATOM 1279 N GLU B 43 17.208 3.042 -6.934 0.00 61.18 N ATOM 1280 CA GLU B 43 16.459 3.942 -6.082 0.00 59.97 C ATOM 1281 C GLU B 43 16.577 3.552 -4.620 0.00 60.89 C ATOM 1282 O GLU B 43 17.109 4.289 -3.791 0.00 60.38 O ATOM 1283 CB GLU B 43 14.975 3.989 -6.490 0.00 61.40 C ATOM 1284 CG GLU B 43 14.564 5.326 -7.134 0.00 71.95 C ATOM 1285 CD GLU B 43 14.935 5.411 -8.586 0.00 92.05 C ATOM 1286 OE1 GLU B 43 16.015 5.814 -8.976 0.00 86.20 O ATOM 1287 OE2 GLU B 43 13.981 4.994 -9.381 0.00 85.94 O ATOM 0 H GLU B 43 16.919 2.232 -6.943 0.00 61.18 H new ATOM 0 HA GLU B 43 16.843 4.825 -6.197 0.00 59.97 H new ATOM 0 HB2 GLU B 43 14.794 3.268 -7.113 0.00 61.40 H new ATOM 0 HB3 GLU B 43 14.425 3.832 -5.706 0.00 61.40 H new ATOM 0 HG2 GLU B 43 13.606 5.443 -7.042 0.00 71.95 H new ATOM 0 HG3 GLU B 43 14.986 6.055 -6.653 0.00 71.95 H new ATOM 1288 N ILE B 44 16.056 2.369 -4.335 1.00 55.13 N ATOM 1289 CA ILE B 44 16.015 1.777 -2.995 1.00 56.12 C ATOM 1290 C ILE B 44 15.975 0.228 -2.985 1.00 59.62 C ATOM 1291 O ILE B 44 15.218 -0.431 -3.743 1.00 56.48 O ATOM 1292 CB ILE B 44 14.970 2.414 -2.024 1.00 58.42 C ATOM 1293 CG1 ILE B 44 13.619 2.538 -2.717 0.00 58.88 C ATOM 1294 CG2 ILE B 44 15.450 3.785 -1.565 0.00 59.19 C ATOM 1295 CD1 ILE B 44 12.835 3.767 -2.275 0.00 66.17 C ATOM 0 H ILE B 44 15.702 1.865 -4.935 1.00 55.13 H new ATOM 0 HA ILE B 44 16.878 2.020 -2.624 1.00 56.12 H new ATOM 0 HB ILE B 44 14.873 1.840 -1.248 1.00 58.42 H new ATOM 0 HG12 ILE B 44 13.755 2.575 -3.677 0.00 58.88 H new ATOM 0 HG13 ILE B 44 13.094 1.743 -2.536 0.00 58.88 H new ATOM 0 HG21 ILE B 44 14.795 4.172 -0.963 0.00 59.19 H new ATOM 0 HG22 ILE B 44 16.298 3.693 -1.104 0.00 59.19 H new ATOM 0 HG23 ILE B 44 15.562 4.363 -2.336 0.00 59.19 H new ATOM 0 HD11 ILE B 44 11.987 3.797 -2.745 0.00 66.17 H new ATOM 0 HD12 ILE B 44 12.673 3.721 -1.320 0.00 66.17 H new ATOM 0 HD13 ILE B 44 13.345 4.567 -2.478 0.00 66.17 H new ATOM 1296 N LYS B 45 16.835 -0.327 -2.086 1.00 55.83 N ATOM 1297 CA LYS B 45 17.039 -1.769 -1.821 1.00 51.34 C ATOM 1298 C LYS B 45 16.818 -2.087 -0.347 1.00 43.56 C ATOM 1299 O LYS B 45 17.165 -1.353 0.565 1.00 42.78 O ATOM 1300 CB LYS B 45 18.347 -2.381 -2.370 1.00 51.53 C ATOM 1301 CG LYS B 45 18.551 -2.272 -3.894 1.00 56.28 C ATOM 1302 CD LYS B 45 17.328 -2.560 -4.776 1.00 62.05 C ATOM 1303 CE LYS B 45 17.598 -3.321 -6.078 1.00 56.32 C ATOM 1304 NZ LYS B 45 16.463 -4.152 -6.505 0.00 65.44 N ATOM 0 H LYS B 45 17.339 0.164 -1.591 1.00 55.83 H new ATOM 0 HA LYS B 45 16.356 -2.216 -2.345 1.00 51.34 H new ATOM 0 HB2 LYS B 45 19.096 -1.950 -1.929 1.00 51.53 H new ATOM 0 HB3 LYS B 45 18.374 -3.319 -2.123 1.00 51.53 H new ATOM 0 HG2 LYS B 45 18.864 -1.376 -4.094 1.00 56.28 H new ATOM 0 HG3 LYS B 45 19.259 -2.884 -4.149 1.00 56.28 H new ATOM 0 HD2 LYS B 45 16.688 -3.068 -4.253 1.00 62.05 H new ATOM 0 HD3 LYS B 45 16.907 -1.715 -4.998 1.00 62.05 H new ATOM 0 HE2 LYS B 45 17.809 -2.686 -6.780 1.00 56.32 H new ATOM 0 HE3 LYS B 45 18.379 -3.885 -5.961 1.00 56.32 H new ATOM 0 HZ1 LYS B 45 16.670 -4.571 -7.262 0.00 65.44 H new ATOM 0 HZ2 LYS B 45 16.281 -4.753 -5.874 0.00 65.44 H new ATOM 0 HZ3 LYS B 45 15.750 -3.636 -6.637 0.00 65.44 H new ATOM 1305 N GLU B 46 16.264 -3.233 -0.130 1.00 38.75 N ATOM 1306 CA GLU B 46 15.834 -3.677 1.184 1.00 39.75 C ATOM 1307 C GLU B 46 16.515 -4.998 1.541 1.00 39.82 C ATOM 1308 O GLU B 46 16.537 -5.958 0.746 1.00 37.45 O ATOM 1309 CB GLU B 46 14.231 -3.573 1.147 1.00 40.93 C ATOM 1310 CG GLU B 46 13.282 -4.635 1.732 1.00 60.06 C ATOM 1311 CD GLU B 46 12.057 -4.036 2.367 0.00 79.91 C ATOM 1312 OE1 GLU B 46 11.645 -2.923 2.097 0.00 73.95 O ATOM 1313 OE2 GLU B 46 11.486 -4.838 3.228 0.00 73.69 O ATOM 0 H GLU B 46 16.115 -3.807 -0.753 1.00 38.75 H new ATOM 0 HA GLU B 46 16.113 -3.139 1.941 1.00 39.75 H new ATOM 0 HB2 GLU B 46 14.004 -2.738 1.585 1.00 40.93 H new ATOM 0 HB3 GLU B 46 13.988 -3.479 0.213 1.00 40.93 H new ATOM 0 HG2 GLU B 46 13.011 -5.244 1.027 1.00 60.06 H new ATOM 0 HG3 GLU B 46 13.760 -5.161 2.393 1.00 60.06 H new ATOM 1314 N SER B 47 17.181 -5.038 2.694 1.00 30.50 N ATOM 1315 CA SER B 47 17.833 -6.305 3.076 1.00 27.42 C ATOM 1316 C SER B 47 17.414 -6.652 4.477 1.00 28.81 C ATOM 1317 O SER B 47 17.075 -5.764 5.268 1.00 33.22 O ATOM 1318 CB SER B 47 19.351 -6.334 3.014 1.00 32.74 C ATOM 1319 OG SER B 47 19.837 -6.027 1.722 1.00 36.69 O ATOM 0 H SER B 47 17.269 -4.385 3.247 1.00 30.50 H new ATOM 0 HA SER B 47 17.540 -6.946 2.410 1.00 27.42 H new ATOM 0 HB2 SER B 47 19.712 -5.700 3.653 1.00 32.74 H new ATOM 0 HB3 SER B 47 19.667 -7.212 3.277 1.00 32.74 H new ATOM 0 HG SER B 47 20.323 -5.343 1.761 1.00 36.69 H new ATOM 1320 N PRO B 48 17.390 -7.939 4.749 1.00 24.92 N ATOM 1321 CA PRO B 48 17.003 -8.457 6.064 1.00 29.09 C ATOM 1322 C PRO B 48 18.074 -8.237 7.117 1.00 30.02 C ATOM 1323 O PRO B 48 19.272 -8.225 6.781 1.00 29.59 O ATOM 1324 CB PRO B 48 16.921 -10.001 5.919 1.00 29.84 C ATOM 1325 CG PRO B 48 17.508 -10.349 4.539 1.00 31.48 C ATOM 1326 CD PRO B 48 17.844 -9.029 3.834 1.00 27.58 C ATOM 0 HA PRO B 48 16.182 -8.013 6.330 1.00 29.09 H new ATOM 0 HB2 PRO B 48 17.420 -10.440 6.626 1.00 29.84 H new ATOM 0 HB3 PRO B 48 16.003 -10.305 5.989 1.00 29.84 H new ATOM 0 HG2 PRO B 48 18.303 -10.897 4.635 1.00 31.48 H new ATOM 0 HG3 PRO B 48 16.871 -10.862 4.017 1.00 31.48 H new ATOM 0 HD2 PRO B 48 18.796 -8.962 3.661 1.00 27.58 H new ATOM 0 HD3 PRO B 48 17.395 -8.971 2.976 1.00 27.58 H new ATOM 1327 N LEU B 49 17.628 -8.130 8.381 1.00 27.37 N ATOM 1328 CA LEU B 49 18.572 -8.018 9.491 1.00 26.38 C ATOM 1329 C LEU B 49 18.098 -8.892 10.627 1.00 27.05 C ATOM 1330 O LEU B 49 16.899 -9.158 10.772 1.00 28.05 O ATOM 1331 CB LEU B 49 18.849 -6.591 9.968 1.00 25.48 C ATOM 1332 CG LEU B 49 17.653 -5.979 10.723 1.00 34.18 C ATOM 1333 CD1 LEU B 49 17.643 -6.314 12.232 1.00 35.09 C ATOM 1334 CD2 LEU B 49 17.563 -4.460 10.548 1.00 30.58 C ATOM 0 H LEU B 49 16.798 -8.121 8.607 1.00 27.37 H new ATOM 0 HA LEU B 49 19.429 -8.323 9.156 1.00 26.38 H new ATOM 0 HB2 LEU B 49 19.627 -6.592 10.547 1.00 25.48 H new ATOM 0 HB3 LEU B 49 19.065 -6.034 9.204 1.00 25.48 H new ATOM 0 HG LEU B 49 16.876 -6.392 10.316 1.00 34.18 H new ATOM 0 HD11 LEU B 49 16.870 -5.903 12.650 1.00 35.09 H new ATOM 0 HD12 LEU B 49 17.600 -7.276 12.350 1.00 35.09 H new ATOM 0 HD13 LEU B 49 18.452 -5.974 12.645 1.00 35.09 H new ATOM 0 HD21 LEU B 49 16.798 -4.122 11.039 1.00 30.58 H new ATOM 0 HD22 LEU B 49 18.372 -4.047 10.887 1.00 30.58 H new ATOM 0 HD23 LEU B 49 17.462 -4.248 9.607 1.00 30.58 H new ATOM 1335 N HIS B 50 19.073 -9.354 11.395 1.00 26.81 N ATOM 1336 CA HIS B 50 18.798 -10.230 12.504 1.00 35.67 C ATOM 1337 C HIS B 50 19.722 -9.865 13.644 1.00 30.98 C ATOM 1338 O HIS B 50 20.939 -9.687 13.415 1.00 25.55 O ATOM 1339 CB HIS B 50 19.017 -11.738 12.138 1.00 44.85 C ATOM 1340 CG HIS B 50 18.329 -12.242 10.888 1.00 58.46 C ATOM 1341 ND1 HIS B 50 17.521 -13.392 10.883 1.00 63.94 N ATOM 1342 CD2 HIS B 50 18.336 -11.750 9.590 1.00 68.37 C ATOM 1343 CE1 HIS B 50 17.062 -13.542 9.638 1.00 66.53 C ATOM 1344 NE2 HIS B 50 17.523 -12.568 8.829 1.00 67.97 N ATOM 0 H HIS B 50 19.905 -9.167 11.284 1.00 26.81 H new ATOM 0 HA HIS B 50 17.867 -10.119 12.751 1.00 35.67 H new ATOM 0 HB2 HIS B 50 19.970 -11.891 12.041 1.00 44.85 H new ATOM 0 HB3 HIS B 50 18.718 -12.278 12.887 1.00 44.85 H new ATOM 0 HD2 HIS B 50 18.803 -11.005 9.287 1.00 68.37 H new ATOM 0 HE1 HIS B 50 16.498 -14.229 9.365 1.00 66.53 H new ATOM 0 HE2 HIS B 50 17.344 -12.473 7.993 1.00 67.97 H new ATOM 1345 N GLY B 51 19.168 -9.793 14.886 1.00 28.28 N ATOM 1346 CA GLY B 51 20.072 -9.508 16.001 1.00 27.12 C ATOM 1347 C GLY B 51 19.546 -9.832 17.412 1.00 30.75 C ATOM 1348 O GLY B 51 18.573 -10.528 17.589 1.00 26.12 O ATOM 0 H GLY B 51 18.337 -9.899 15.081 1.00 28.28 H new ATOM 0 HA2 GLY B 51 20.893 -10.006 15.861 1.00 27.12 H new ATOM 0 HA3 GLY B 51 20.303 -8.566 15.972 1.00 27.12 H new ATOM 1349 N THR B 52 20.230 -9.316 18.429 1.00 27.69 N ATOM 1350 CA THR B 52 19.787 -9.509 19.794 1.00 32.78 C ATOM 1351 C THR B 52 19.917 -8.208 20.588 1.00 34.58 C ATOM 1352 O THR B 52 20.701 -7.327 20.303 1.00 34.65 O ATOM 1353 CB THR B 52 20.498 -10.644 20.596 1.00 28.13 C ATOM 1354 OG1 THR B 52 21.893 -10.413 20.586 1.00 37.19 O ATOM 1355 CG2 THR B 52 20.228 -12.052 20.089 1.00 30.66 C ATOM 0 H THR B 52 20.950 -8.853 18.345 1.00 27.69 H new ATOM 0 HA THR B 52 18.864 -9.789 19.696 1.00 32.78 H new ATOM 0 HB THR B 52 20.127 -10.607 21.492 1.00 28.13 H new ATOM 0 HG1 THR B 52 22.281 -11.020 21.018 1.00 37.19 H new ATOM 0 HG21 THR B 52 20.705 -12.692 20.640 1.00 30.66 H new ATOM 0 HG22 THR B 52 19.276 -12.235 20.132 1.00 30.66 H new ATOM 0 HG23 THR B 52 20.530 -12.129 19.170 1.00 30.66 H new ATOM 1356 N GLU B 53 19.153 -8.155 21.638 1.00 31.04 N ATOM 1357 CA GLU B 53 19.190 -7.089 22.603 1.00 31.49 C ATOM 1358 C GLU B 53 19.603 -7.735 23.954 1.00 32.28 C ATOM 1359 O GLU B 53 19.149 -8.842 24.278 1.00 27.07 O ATOM 1360 CB GLU B 53 17.789 -6.497 22.637 1.00 32.80 C ATOM 1361 CG GLU B 53 17.595 -5.466 23.726 1.00 30.05 C ATOM 1362 CD GLU B 53 16.128 -5.085 23.888 1.00 49.00 C ATOM 1363 OE1 GLU B 53 15.369 -4.896 22.970 1.00 47.52 O ATOM 1364 OE2 GLU B 53 15.786 -4.816 25.112 1.00 40.73 O ATOM 0 H GLU B 53 18.572 -8.761 21.822 1.00 31.04 H new ATOM 0 HA GLU B 53 19.819 -6.379 22.399 1.00 31.49 H new ATOM 0 HB2 GLU B 53 17.597 -6.089 21.778 1.00 32.80 H new ATOM 0 HB3 GLU B 53 17.146 -7.213 22.761 1.00 32.80 H new ATOM 0 HG2 GLU B 53 17.934 -5.814 24.566 1.00 30.05 H new ATOM 0 HG3 GLU B 53 18.114 -4.674 23.518 1.00 30.05 H new ATOM 1365 N ASN B 54 20.580 -7.150 24.694 1.00 27.07 N ATOM 1366 CA ASN B 54 21.036 -7.745 25.955 1.00 20.84 C ATOM 1367 C ASN B 54 20.018 -7.549 27.064 1.00 25.77 C ATOM 1368 O ASN B 54 19.573 -6.447 27.307 1.00 23.91 O ATOM 1369 CB ASN B 54 22.340 -7.104 26.378 1.00 18.84 C ATOM 1370 CG ASN B 54 22.959 -7.838 27.552 1.00 28.12 C ATOM 1371 OD1 ASN B 54 22.533 -7.692 28.694 1.00 44.65 O ATOM 1372 ND2 ASN B 54 24.116 -8.411 27.328 1.00 25.70 N ATOM 0 H ASN B 54 20.979 -6.419 24.477 1.00 27.07 H new ATOM 0 HA ASN B 54 21.155 -8.696 25.806 1.00 20.84 H new ATOM 0 HB2 ASN B 54 22.959 -7.103 25.632 1.00 18.84 H new ATOM 0 HB3 ASN B 54 22.184 -6.177 26.619 1.00 18.84 H new ATOM 0 HD21 ASN B 54 24.591 -8.692 27.987 1.00 25.70 H new ATOM 0 HD22 ASN B 54 24.400 -8.506 26.522 1.00 25.70 H new ATOM 1373 N THR B 55 19.665 -8.588 27.785 1.00 27.26 N ATOM 1374 CA THR B 55 18.685 -8.378 28.833 1.00 32.91 C ATOM 1375 C THR B 55 19.200 -8.511 30.265 1.00 37.69 C ATOM 1376 O THR B 55 18.428 -8.377 31.186 1.00 38.17 O ATOM 1377 CB THR B 55 17.507 -9.319 28.618 1.00 41.27 C ATOM 1378 OG1 THR B 55 18.014 -10.664 28.545 1.00 37.87 O ATOM 1379 CG2 THR B 55 16.954 -8.848 27.292 1.00 41.37 C ATOM 0 H THR B 55 19.962 -9.390 27.695 1.00 27.26 H new ATOM 0 HA THR B 55 18.423 -7.448 28.752 1.00 32.91 H new ATOM 0 HB THR B 55 16.833 -9.314 29.316 1.00 41.27 H new ATOM 0 HG1 THR B 55 17.376 -11.198 28.428 1.00 37.87 H new ATOM 0 HG21 THR B 55 16.185 -9.388 27.052 1.00 41.37 H new ATOM 0 HG22 THR B 55 16.686 -7.919 27.365 1.00 41.37 H new ATOM 0 HG23 THR B 55 17.636 -8.935 26.608 1.00 41.37 H new ATOM 1380 N ILE B 56 20.485 -8.777 30.434 1.00 36.69 N ATOM 1381 CA ILE B 56 21.105 -8.909 31.719 1.00 34.93 C ATOM 1382 C ILE B 56 20.818 -7.659 32.548 1.00 37.80 C ATOM 1383 O ILE B 56 21.080 -6.512 32.168 1.00 28.11 O ATOM 1384 CB ILE B 56 22.601 -9.183 31.536 1.00 36.86 C ATOM 1385 CG1 ILE B 56 22.787 -10.389 30.634 1.00 36.28 C ATOM 1386 CG2 ILE B 56 23.314 -9.511 32.837 1.00 35.91 C ATOM 1387 CD1 ILE B 56 21.999 -11.607 31.094 1.00 26.11 C ATOM 0 H ILE B 56 21.030 -8.888 29.778 1.00 36.69 H new ATOM 0 HA ILE B 56 20.738 -9.663 32.207 1.00 34.93 H new ATOM 0 HB ILE B 56 22.977 -8.370 31.163 1.00 36.86 H new ATOM 0 HG12 ILE B 56 22.515 -10.157 29.732 1.00 36.28 H new ATOM 0 HG13 ILE B 56 23.729 -10.616 30.597 1.00 36.28 H new ATOM 0 HG21 ILE B 56 24.253 -9.674 32.659 1.00 35.91 H new ATOM 0 HG22 ILE B 56 23.226 -8.765 33.451 1.00 35.91 H new ATOM 0 HG23 ILE B 56 22.918 -10.303 33.232 1.00 35.91 H new ATOM 0 HD11 ILE B 56 22.156 -12.344 30.483 1.00 26.11 H new ATOM 0 HD12 ILE B 56 22.286 -11.860 31.985 1.00 26.11 H new ATOM 0 HD13 ILE B 56 21.053 -11.394 31.108 1.00 26.11 H new ATOM 1388 N ASN B 57 20.184 -7.895 33.696 1.00 38.41 N ATOM 1389 CA ASN B 57 19.855 -6.826 34.602 1.00 37.29 C ATOM 1390 C ASN B 57 18.750 -5.924 34.111 1.00 45.78 C ATOM 1391 O ASN B 57 18.502 -4.876 34.710 1.00 44.03 O ATOM 1392 CB ASN B 57 21.092 -6.009 34.981 1.00 33.05 C ATOM 1393 CG ASN B 57 22.078 -6.780 35.856 1.00 55.48 C ATOM 1394 OD1 ASN B 57 23.276 -6.462 35.843 1.00 44.74 O ATOM 1395 ND2 ASN B 57 21.604 -7.724 36.686 1.00 49.93 N ATOM 0 H ASN B 57 19.939 -8.676 33.960 1.00 38.41 H new ATOM 0 HA ASN B 57 19.513 -7.264 35.397 1.00 37.29 H new ATOM 0 HB2 ASN B 57 21.543 -5.722 34.172 1.00 33.05 H new ATOM 0 HB3 ASN B 57 20.812 -5.207 35.449 1.00 33.05 H new ATOM 0 HD21 ASN B 57 22.136 -8.126 37.228 1.00 49.93 H new ATOM 0 HD22 ASN B 57 20.768 -7.926 36.675 1.00 49.93 H new ATOM 1396 N LYS B 58 18.101 -6.322 33.017 1.00 42.70 N ATOM 1397 CA LYS B 58 17.007 -5.536 32.522 1.00 42.04 C ATOM 1398 C LYS B 58 17.226 -4.007 32.583 1.00 40.26 C ATOM 1399 O LYS B 58 16.439 -3.203 33.102 1.00 39.30 O ATOM 1400 CB LYS B 58 15.743 -5.960 33.237 1.00 44.98 C ATOM 1401 CG LYS B 58 15.106 -7.152 32.564 1.00 51.45 C ATOM 1402 CD LYS B 58 14.721 -8.234 33.558 1.00 62.15 C ATOM 1403 CE LYS B 58 15.701 -9.396 33.582 0.00 73.35 C ATOM 1404 NZ LYS B 58 15.751 -10.078 34.883 0.00 82.67 N ATOM 0 H LYS B 58 18.283 -7.030 32.564 1.00 42.70 H new ATOM 0 HA LYS B 58 16.931 -5.715 31.572 1.00 42.04 H new ATOM 0 HB2 LYS B 58 15.948 -6.178 34.160 1.00 44.98 H new ATOM 0 HB3 LYS B 58 15.115 -5.221 33.253 1.00 44.98 H new ATOM 0 HG2 LYS B 58 14.316 -6.864 32.080 1.00 51.45 H new ATOM 0 HG3 LYS B 58 15.721 -7.520 31.910 1.00 51.45 H new ATOM 0 HD2 LYS B 58 14.666 -7.846 34.445 1.00 62.15 H new ATOM 0 HD3 LYS B 58 13.837 -8.568 33.339 1.00 62.15 H new ATOM 0 HE2 LYS B 58 15.453 -10.036 32.896 0.00 73.35 H new ATOM 0 HE3 LYS B 58 16.587 -9.070 33.359 0.00 73.35 H new ATOM 0 HZ1 LYS B 58 16.336 -10.747 34.845 0.00 82.67 H new ATOM 0 HZ2 LYS B 58 16.002 -9.500 35.512 0.00 82.67 H new ATOM 0 HZ3 LYS B 58 14.945 -10.400 35.081 0.00 82.67 H new ATOM 1405 N ARG B 59 18.321 -3.571 31.998 1.00 36.13 N ATOM 1406 CA ARG B 59 18.628 -2.151 31.902 1.00 32.83 C ATOM 1407 C ARG B 59 17.628 -1.435 30.994 1.00 39.41 C ATOM 1408 O ARG B 59 17.026 -1.990 30.056 1.00 33.51 O ATOM 1409 CB ARG B 59 20.040 -1.935 31.358 1.00 31.52 C ATOM 1410 CG ARG B 59 21.091 -2.808 32.042 1.00 33.37 C ATOM 1411 CD ARG B 59 21.257 -2.617 33.568 1.00 55.24 C ATOM 1412 NE ARG B 59 21.222 -1.207 33.956 1.00 47.25 N ATOM 1413 CZ ARG B 59 22.265 -0.359 33.941 1.00 66.74 C ATOM 1414 NH1 ARG B 59 23.513 -0.725 33.596 1.00 54.01 N ATOM 1415 NH2 ARG B 59 22.030 0.922 34.266 1.00 47.38 N ATOM 0 H ARG B 59 18.912 -4.086 31.643 1.00 36.13 H new ATOM 0 HA ARG B 59 18.568 -1.781 32.797 1.00 32.83 H new ATOM 0 HB2 ARG B 59 20.045 -2.120 30.406 1.00 31.52 H new ATOM 0 HB3 ARG B 59 20.283 -1.002 31.467 1.00 31.52 H new ATOM 0 HG2 ARG B 59 20.870 -3.737 31.874 1.00 33.37 H new ATOM 0 HG3 ARG B 59 21.948 -2.639 31.620 1.00 33.37 H new ATOM 0 HD2 ARG B 59 20.552 -3.096 34.031 1.00 55.24 H new ATOM 0 HD3 ARG B 59 22.098 -3.008 33.852 1.00 55.24 H new ATOM 0 HE ARG B 59 20.466 -0.892 34.217 1.00 47.25 H new ATOM 0 HH11 ARG B 59 23.675 -1.539 33.370 1.00 54.01 H new ATOM 0 HH12 ARG B 59 24.148 -0.145 33.602 1.00 54.01 H new ATOM 0 HH21 ARG B 59 21.234 1.174 34.474 1.00 47.38 H new ATOM 0 HH22 ARG B 59 22.675 1.491 34.266 1.00 47.38 H new ATOM 1416 N THR B 60 17.461 -0.159 31.276 1.00 37.09 N ATOM 1417 CA THR B 60 16.529 0.619 30.529 1.00 35.35 C ATOM 1418 C THR B 60 17.150 1.139 29.272 1.00 31.47 C ATOM 1419 O THR B 60 16.414 1.554 28.396 1.00 35.59 O ATOM 1420 CB THR B 60 16.017 1.768 31.397 1.00 41.00 C ATOM 1421 OG1 THR B 60 17.153 2.373 31.975 1.00 41.06 O ATOM 1422 CG2 THR B 60 15.155 1.139 32.478 1.00 39.09 C ATOM 0 H THR B 60 17.880 0.266 31.895 1.00 37.09 H new ATOM 0 HA THR B 60 15.782 0.056 30.273 1.00 35.35 H new ATOM 0 HB THR B 60 15.505 2.427 30.902 1.00 41.00 H new ATOM 0 HG1 THR B 60 16.912 3.014 32.461 1.00 41.06 H new ATOM 0 HG21 THR B 60 14.805 1.833 33.058 1.00 39.09 H new ATOM 0 HG22 THR B 60 14.419 0.660 32.067 1.00 39.09 H new ATOM 0 HG23 THR B 60 15.690 0.521 33.000 1.00 39.09 H new ATOM 1423 N GLN B 61 18.470 1.099 29.210 1.00 23.89 N ATOM 1424 CA GLN B 61 19.171 1.556 28.015 1.00 22.88 C ATOM 1425 C GLN B 61 20.133 0.443 27.624 1.00 28.80 C ATOM 1426 O GLN B 61 21.334 0.496 27.824 1.00 29.55 O ATOM 1427 CB GLN B 61 19.945 2.878 28.215 1.00 21.59 C ATOM 1428 CG GLN B 61 19.082 4.018 28.762 1.00 24.67 C ATOM 1429 CD GLN B 61 19.895 5.266 28.956 1.00 37.99 C ATOM 1430 OE1 GLN B 61 19.710 6.293 28.250 1.00 41.24 O ATOM 1431 NE2 GLN B 61 20.856 5.177 29.877 1.00 45.32 N ATOM 0 H GLN B 61 18.979 0.814 29.842 1.00 23.89 H new ATOM 0 HA GLN B 61 18.518 1.745 27.323 1.00 22.88 H new ATOM 0 HB2 GLN B 61 20.684 2.722 28.823 1.00 21.59 H new ATOM 0 HB3 GLN B 61 20.328 3.151 27.367 1.00 21.59 H new ATOM 0 HG2 GLN B 61 18.351 4.197 28.150 1.00 24.67 H new ATOM 0 HG3 GLN B 61 18.686 3.752 29.607 1.00 24.67 H new ATOM 0 HE21 GLN B 61 20.946 4.456 30.336 1.00 45.32 H new ATOM 0 HE22 GLN B 61 21.386 5.841 30.011 1.00 45.32 H new ATOM 1432 N PRO B 62 19.574 -0.578 27.041 1.00 27.85 N ATOM 1433 CA PRO B 62 20.318 -1.774 26.686 1.00 25.89 C ATOM 1434 C PRO B 62 21.295 -1.625 25.521 1.00 28.60 C ATOM 1435 O PRO B 62 21.096 -0.837 24.618 1.00 31.36 O ATOM 1436 CB PRO B 62 19.182 -2.754 26.263 1.00 27.75 C ATOM 1437 CG PRO B 62 18.013 -1.896 25.755 1.00 27.34 C ATOM 1438 CD PRO B 62 18.158 -0.560 26.515 1.00 25.11 C ATOM 0 HA PRO B 62 20.882 -2.048 27.426 1.00 25.89 H new ATOM 0 HB2 PRO B 62 19.491 -3.358 25.570 1.00 27.75 H new ATOM 0 HB3 PRO B 62 18.904 -3.302 27.014 1.00 27.75 H new ATOM 0 HG2 PRO B 62 18.062 -1.764 24.795 1.00 27.34 H new ATOM 0 HG3 PRO B 62 17.159 -2.317 25.940 1.00 27.34 H new ATOM 0 HD2 PRO B 62 18.008 0.198 25.929 1.00 25.11 H new ATOM 0 HD3 PRO B 62 17.514 -0.492 27.237 1.00 25.11 H new ATOM 1439 N THR B 63 22.314 -2.471 25.536 1.00 23.81 N ATOM 1440 CA THR B 63 23.215 -2.618 24.424 1.00 27.08 C ATOM 1441 C THR B 63 22.530 -3.661 23.496 1.00 31.89 C ATOM 1442 O THR B 63 21.682 -4.465 23.920 1.00 21.90 O ATOM 1443 CB THR B 63 24.641 -3.153 24.799 1.00 28.63 C ATOM 1444 OG1 THR B 63 24.599 -4.540 25.170 1.00 27.91 O ATOM 1445 CG2 THR B 63 25.294 -2.379 25.932 1.00 28.72 C ATOM 0 H THR B 63 22.498 -2.980 26.205 1.00 23.81 H new ATOM 0 HA THR B 63 23.366 -1.746 24.026 1.00 27.08 H new ATOM 0 HB THR B 63 25.174 -3.032 23.998 1.00 28.63 H new ATOM 0 HG1 THR B 63 25.373 -4.802 25.364 1.00 27.91 H new ATOM 0 HG21 THR B 63 26.169 -2.754 26.118 1.00 28.72 H new ATOM 0 HG22 THR B 63 25.389 -1.448 25.676 1.00 28.72 H new ATOM 0 HG23 THR B 63 24.741 -2.440 26.727 1.00 28.72 H new ATOM 1446 N PHE B 64 22.939 -3.710 22.224 1.00 30.80 N ATOM 1447 CA PHE B 64 22.392 -4.704 21.273 1.00 26.49 C ATOM 1448 C PHE B 64 23.376 -4.819 20.140 1.00 25.32 C ATOM 1449 O PHE B 64 24.322 -4.037 20.064 1.00 25.37 O ATOM 1450 CB PHE B 64 21.060 -4.228 20.669 1.00 26.10 C ATOM 1451 CG PHE B 64 21.230 -2.849 20.060 1.00 27.19 C ATOM 1452 CD1 PHE B 64 21.679 -2.713 18.735 1.00 27.89 C ATOM 1453 CD2 PHE B 64 21.054 -1.699 20.837 1.00 25.46 C ATOM 1454 CE1 PHE B 64 21.871 -1.460 18.141 1.00 28.69 C ATOM 1455 CE2 PHE B 64 21.211 -0.443 20.249 1.00 27.28 C ATOM 1456 CZ PHE B 64 21.634 -0.319 18.917 1.00 27.27 C ATOM 0 H PHE B 64 23.529 -3.182 21.888 1.00 30.80 H new ATOM 0 HA PHE B 64 22.246 -5.542 21.739 1.00 26.49 H new ATOM 0 HB2 PHE B 64 20.761 -4.854 19.991 1.00 26.10 H new ATOM 0 HB3 PHE B 64 20.375 -4.205 21.355 1.00 26.10 H new ATOM 0 HD1 PHE B 64 21.854 -3.479 18.238 1.00 27.89 H new ATOM 0 HD2 PHE B 64 20.834 -1.771 21.738 1.00 25.46 H new ATOM 0 HE1 PHE B 64 22.148 -1.388 17.256 1.00 28.69 H new ATOM 0 HE2 PHE B 64 21.033 0.322 20.747 1.00 27.28 H new ATOM 0 HZ PHE B 64 21.758 0.526 18.548 1.00 27.27 H new ATOM 1457 N GLY B 65 23.098 -5.760 19.272 1.00 24.57 N ATOM 1458 CA GLY B 65 23.886 -6.027 18.084 1.00 20.60 C ATOM 1459 C GLY B 65 22.983 -6.615 16.976 1.00 29.08 C ATOM 1460 O GLY B 65 21.967 -7.222 17.236 1.00 23.96 O ATOM 0 H GLY B 65 22.421 -6.284 19.356 1.00 24.57 H new ATOM 0 HA2 GLY B 65 24.303 -5.209 17.772 1.00 20.60 H new ATOM 0 HA3 GLY B 65 24.601 -6.648 18.293 1.00 20.60 H new ATOM 1461 N PHE B 66 23.379 -6.466 15.712 1.00 24.37 N ATOM 1462 CA PHE B 66 22.679 -7.090 14.637 1.00 21.92 C ATOM 1463 C PHE B 66 23.549 -7.125 13.395 1.00 26.95 C ATOM 1464 O PHE B 66 24.481 -6.334 13.208 1.00 26.13 O ATOM 1465 CB PHE B 66 21.316 -6.447 14.377 1.00 22.60 C ATOM 1466 CG PHE B 66 21.386 -4.977 13.890 1.00 25.49 C ATOM 1467 CD1 PHE B 66 21.577 -4.675 12.528 1.00 23.16 C ATOM 1468 CD2 PHE B 66 21.122 -3.922 14.768 1.00 21.44 C ATOM 1469 CE1 PHE B 66 21.526 -3.381 12.003 1.00 19.78 C ATOM 1470 CE2 PHE B 66 21.120 -2.618 14.268 1.00 27.72 C ATOM 1471 CZ PHE B 66 21.348 -2.341 12.912 1.00 23.22 C ATOM 0 H PHE B 66 24.060 -5.999 15.472 1.00 24.37 H new ATOM 0 HA PHE B 66 22.489 -8.006 14.895 1.00 21.92 H new ATOM 0 HB2 PHE B 66 20.843 -6.974 13.714 1.00 22.60 H new ATOM 0 HB3 PHE B 66 20.793 -6.482 15.193 1.00 22.60 H new ATOM 0 HD1 PHE B 66 21.747 -5.378 11.943 1.00 23.16 H new ATOM 0 HD2 PHE B 66 20.951 -4.085 15.667 1.00 21.44 H new ATOM 0 HE1 PHE B 66 21.607 -3.222 11.090 1.00 19.78 H new ATOM 0 HE2 PHE B 66 20.963 -1.912 14.852 1.00 27.72 H new ATOM 0 HZ PHE B 66 21.380 -1.459 12.619 1.00 23.22 H new ATOM 1472 N THR B 67 23.247 -8.099 12.569 1.00 26.45 N ATOM 1473 CA THR B 67 23.877 -8.259 11.242 1.00 28.95 C ATOM 1474 C THR B 67 22.870 -7.959 10.084 1.00 28.94 C ATOM 1475 O THR B 67 21.707 -8.379 10.125 1.00 25.48 O ATOM 1476 CB THR B 67 24.230 -9.728 11.050 1.00 31.23 C ATOM 1477 OG1 THR B 67 24.968 -10.213 12.114 1.00 25.69 O ATOM 1478 CG2 THR B 67 24.854 -10.024 9.686 1.00 31.73 C ATOM 0 H THR B 67 22.663 -8.704 12.749 1.00 26.45 H new ATOM 0 HA THR B 67 24.637 -7.657 11.214 1.00 28.95 H new ATOM 0 HB THR B 67 23.395 -10.222 11.046 1.00 31.23 H new ATOM 0 HG1 THR B 67 24.449 -10.459 12.727 1.00 25.69 H new ATOM 0 HG21 THR B 67 25.057 -10.970 9.621 1.00 31.73 H new ATOM 0 HG22 THR B 67 24.231 -9.779 8.985 1.00 31.73 H new ATOM 0 HG23 THR B 67 25.671 -9.511 9.586 1.00 31.73 H new ATOM 1479 N VAL B 68 23.314 -7.218 9.081 1.00 31.46 N ATOM 1480 CA VAL B 68 22.556 -6.955 7.840 1.00 29.22 C ATOM 1481 C VAL B 68 23.076 -7.935 6.736 1.00 30.67 C ATOM 1482 O VAL B 68 24.239 -7.868 6.324 1.00 27.29 O ATOM 1483 CB VAL B 68 22.669 -5.512 7.313 1.00 34.07 C ATOM 1484 CG1 VAL B 68 21.729 -5.279 6.099 1.00 31.40 C ATOM 1485 CG2 VAL B 68 22.299 -4.581 8.463 1.00 36.62 C ATOM 0 H VAL B 68 24.085 -6.838 9.092 1.00 31.46 H new ATOM 0 HA VAL B 68 21.619 -7.090 8.052 1.00 29.22 H new ATOM 0 HB VAL B 68 23.572 -5.339 7.005 1.00 34.07 H new ATOM 0 HG11 VAL B 68 21.821 -4.364 5.789 1.00 31.40 H new ATOM 0 HG12 VAL B 68 21.968 -5.888 5.383 1.00 31.40 H new ATOM 0 HG13 VAL B 68 20.810 -5.439 6.366 1.00 31.40 H new ATOM 0 HG21 VAL B 68 22.359 -3.660 8.166 1.00 36.62 H new ATOM 0 HG22 VAL B 68 21.392 -4.768 8.752 1.00 36.62 H new ATOM 0 HG23 VAL B 68 22.910 -4.722 9.203 1.00 36.62 H new ATOM 1486 N ASN B 69 22.222 -8.825 6.235 1.00 28.74 N ATOM 1487 CA ASN B 69 22.593 -9.760 5.168 1.00 30.67 C ATOM 1488 C ASN B 69 22.319 -9.104 3.815 1.00 32.26 C ATOM 1489 O ASN B 69 21.200 -9.206 3.350 1.00 36.06 O ATOM 1490 CB ASN B 69 21.678 -10.995 5.287 1.00 27.28 C ATOM 1491 CG ASN B 69 22.217 -12.159 4.488 1.00 33.43 C ATOM 1492 OD1 ASN B 69 21.618 -13.201 4.397 1.00 42.87 O ATOM 1493 ND2 ASN B 69 23.470 -12.121 4.191 1.00 38.26 N ATOM 0 H ASN B 69 21.409 -8.906 6.503 1.00 28.74 H new ATOM 0 HA ASN B 69 23.529 -10.003 5.241 1.00 30.67 H new ATOM 0 HB2 ASN B 69 21.596 -11.251 6.219 1.00 27.28 H new ATOM 0 HB3 ASN B 69 20.787 -10.771 4.975 1.00 27.28 H new ATOM 0 HD21 ASN B 69 23.872 -12.835 3.930 1.00 38.26 H new ATOM 0 HD22 ASN B 69 23.904 -11.381 4.253 1.00 38.26 H new ATOM 1494 N TRP B 70 23.283 -8.360 3.235 1.00 30.29 N ATOM 1495 CA TRP B 70 23.068 -7.606 1.977 1.00 30.99 C ATOM 1496 C TRP B 70 22.618 -8.528 0.836 1.00 32.37 C ATOM 1497 O TRP B 70 23.230 -9.580 0.580 1.00 32.78 O ATOM 1498 CB TRP B 70 24.262 -6.705 1.534 1.00 28.27 C ATOM 1499 CG TRP B 70 24.716 -5.737 2.592 1.00 26.88 C ATOM 1500 CD1 TRP B 70 25.899 -5.775 3.325 1.00 27.94 C ATOM 1501 CD2 TRP B 70 23.952 -4.598 3.053 1.00 24.31 C ATOM 1502 NE1 TRP B 70 25.932 -4.681 4.157 1.00 25.13 N ATOM 1503 CE2 TRP B 70 24.715 -3.978 4.055 1.00 24.96 C ATOM 1504 CE3 TRP B 70 22.718 -4.042 2.679 1.00 25.79 C ATOM 1505 CZ2 TRP B 70 24.240 -2.800 4.700 1.00 26.84 C ATOM 1506 CZ3 TRP B 70 22.236 -2.899 3.342 1.00 28.75 C ATOM 1507 CH2 TRP B 70 23.003 -2.256 4.352 1.00 28.79 C ATOM 0 H TRP B 70 24.076 -8.279 3.558 1.00 30.29 H new ATOM 0 HA TRP B 70 22.350 -6.987 2.185 1.00 30.99 H new ATOM 0 HB2 TRP B 70 25.009 -7.272 1.284 1.00 28.27 H new ATOM 0 HB3 TRP B 70 24.005 -6.208 0.742 1.00 28.27 H new ATOM 0 HD1 TRP B 70 26.556 -6.430 3.262 1.00 27.94 H new ATOM 0 HE1 TRP B 70 26.593 -4.460 4.661 1.00 25.13 H new ATOM 0 HE3 TRP B 70 22.221 -4.428 1.995 1.00 25.79 H new ATOM 0 HZ2 TRP B 70 24.757 -2.391 5.356 1.00 26.84 H new ATOM 0 HZ3 TRP B 70 21.401 -2.558 3.116 1.00 28.75 H new ATOM 0 HH2 TRP B 70 22.687 -1.489 4.772 1.00 28.79 H new ATOM 1508 N LYS B 71 21.520 -8.146 0.205 1.00 31.93 N ATOM 1509 CA LYS B 71 20.913 -8.951 -0.859 1.00 37.29 C ATOM 1510 C LYS B 71 21.373 -8.550 -2.279 1.00 44.93 C ATOM 1511 O LYS B 71 21.127 -9.252 -3.271 1.00 46.10 O ATOM 1512 CB LYS B 71 19.381 -8.807 -0.756 1.00 41.71 C ATOM 1513 CG LYS B 71 18.674 -9.820 0.123 1.00 38.26 C ATOM 1514 CD LYS B 71 19.653 -10.851 0.585 1.00 34.86 C ATOM 1515 CE LYS B 71 19.152 -12.262 0.582 1.00 47.93 C ATOM 1516 NZ LYS B 71 20.273 -13.229 0.523 1.00 69.31 N ATOM 0 H LYS B 71 21.101 -7.415 0.376 1.00 31.93 H new ATOM 0 HA LYS B 71 21.200 -9.869 -0.731 1.00 37.29 H new ATOM 0 HB2 LYS B 71 19.180 -7.919 -0.422 1.00 41.71 H new ATOM 0 HB3 LYS B 71 19.008 -8.865 -1.650 1.00 41.71 H new ATOM 0 HG2 LYS B 71 18.273 -9.376 0.887 1.00 38.26 H new ATOM 0 HG3 LYS B 71 17.953 -10.243 -0.370 1.00 38.26 H new ATOM 0 HD2 LYS B 71 20.440 -10.803 0.021 1.00 34.86 H new ATOM 0 HD3 LYS B 71 19.935 -10.626 1.485 1.00 34.86 H new ATOM 0 HE2 LYS B 71 18.625 -12.422 1.380 1.00 47.93 H new ATOM 0 HE3 LYS B 71 18.564 -12.398 -0.178 1.00 47.93 H new ATOM 0 HZ1 LYS B 71 20.106 -13.911 1.070 1.00 69.31 H new ATOM 0 HZ2 LYS B 71 20.361 -13.531 -0.310 1.00 69.31 H new ATOM 0 HZ3 LYS B 71 21.026 -12.826 0.774 1.00 69.31 H new ATOM 1517 N PHE B 72 22.041 -7.398 -2.390 1.00 37.46 N ATOM 1518 CA PHE B 72 22.504 -6.942 -3.684 1.00 33.99 C ATOM 1519 C PHE B 72 24.024 -6.866 -3.727 1.00 35.75 C ATOM 1520 O PHE B 72 24.644 -6.260 -4.609 1.00 32.81 O ATOM 1521 CB PHE B 72 21.860 -5.589 -3.936 1.00 38.33 C ATOM 1522 CG PHE B 72 22.272 -4.578 -2.908 1.00 48.00 C ATOM 1523 CD1 PHE B 72 23.513 -3.941 -2.969 1.00 57.23 C ATOM 1524 CD2 PHE B 72 21.430 -4.260 -1.838 1.00 62.10 C ATOM 1525 CE1 PHE B 72 23.892 -3.001 -2.004 1.00 63.78 C ATOM 1526 CE2 PHE B 72 21.784 -3.311 -0.870 1.00 64.24 C ATOM 1527 CZ PHE B 72 23.023 -2.676 -0.958 1.00 62.94 C ATOM 0 H PHE B 72 22.230 -6.878 -1.732 1.00 37.46 H new ATOM 0 HA PHE B 72 22.250 -7.566 -4.382 1.00 33.99 H new ATOM 0 HB2 PHE B 72 22.107 -5.272 -4.819 1.00 38.33 H new ATOM 0 HB3 PHE B 72 20.895 -5.683 -3.928 1.00 38.33 H new ATOM 0 HD1 PHE B 72 24.098 -4.145 -3.663 1.00 57.23 H new ATOM 0 HD2 PHE B 72 20.609 -4.692 -1.767 1.00 62.10 H new ATOM 0 HE1 PHE B 72 24.725 -2.591 -2.059 1.00 63.78 H new ATOM 0 HE2 PHE B 72 21.199 -3.107 -0.176 1.00 64.24 H new ATOM 0 HZ PHE B 72 23.269 -2.041 -0.325 1.00 62.94 H new ATOM 1528 N SER B 73 24.646 -7.504 -2.724 1.00 32.92 N ATOM 1529 CA SER B 73 26.102 -7.520 -2.592 1.00 31.08 C ATOM 1530 C SER B 73 26.621 -8.813 -1.942 1.00 31.43 C ATOM 1531 O SER B 73 25.823 -9.515 -1.306 1.00 30.85 O ATOM 1532 CB SER B 73 26.525 -6.313 -1.751 1.00 27.48 C ATOM 1533 OG SER B 73 27.925 -6.361 -1.651 1.00 39.99 O ATOM 0 H SER B 73 24.233 -7.936 -2.106 1.00 32.92 H new ATOM 0 HA SER B 73 26.487 -7.478 -3.481 1.00 31.08 H new ATOM 0 HB2 SER B 73 26.238 -5.485 -2.168 1.00 27.48 H new ATOM 0 HB3 SER B 73 26.116 -6.345 -0.872 1.00 27.48 H new ATOM 0 HG SER B 73 28.196 -5.710 -1.195 1.00 39.99 H new ATOM 1534 N GLU B 74 27.935 -9.083 -2.096 1.00 22.82 N ATOM 1535 CA GLU B 74 28.539 -10.204 -1.413 1.00 26.64 C ATOM 1536 C GLU B 74 29.051 -9.813 -0.005 1.00 33.24 C ATOM 1537 O GLU B 74 29.671 -10.628 0.660 1.00 32.89 O ATOM 1538 CB GLU B 74 29.677 -10.876 -2.192 1.00 25.46 C ATOM 1539 CG GLU B 74 29.118 -11.007 -3.624 1.00 45.79 C ATOM 1540 CD GLU B 74 29.920 -11.822 -4.598 1.00 53.66 C ATOM 1541 OE1 GLU B 74 31.162 -11.938 -4.251 1.00 44.44 O ATOM 1542 OE2 GLU B 74 29.459 -12.321 -5.604 1.00 94.79 O ATOM 0 H GLU B 74 28.472 -8.626 -2.588 1.00 22.82 H new ATOM 0 HA GLU B 74 27.821 -10.852 -1.335 1.00 26.64 H new ATOM 0 HB2 GLU B 74 30.486 -10.340 -2.173 1.00 25.46 H new ATOM 0 HB3 GLU B 74 29.902 -11.742 -1.817 1.00 25.46 H new ATOM 0 HG2 GLU B 74 28.230 -11.394 -3.567 1.00 45.79 H new ATOM 0 HG3 GLU B 74 29.016 -10.115 -3.990 1.00 45.79 H new ATOM 1543 N SER B 75 28.815 -8.586 0.451 1.00 25.32 N ATOM 1544 CA SER B 75 29.335 -8.132 1.734 1.00 27.28 C ATOM 1545 C SER B 75 28.397 -8.389 2.886 1.00 29.01 C ATOM 1546 O SER B 75 27.214 -8.730 2.720 1.00 28.81 O ATOM 1547 CB SER B 75 29.536 -6.618 1.706 1.00 30.39 C ATOM 1548 OG SER B 75 30.364 -6.267 0.603 1.00 41.30 O ATOM 0 H SER B 75 28.352 -7.998 0.028 1.00 25.32 H new ATOM 0 HA SER B 75 30.159 -8.627 1.865 1.00 27.28 H new ATOM 0 HB2 SER B 75 28.679 -6.170 1.634 1.00 30.39 H new ATOM 0 HB3 SER B 75 29.943 -6.321 2.535 1.00 30.39 H new ATOM 0 HG SER B 75 30.473 -5.434 0.588 1.00 41.30 H new ATOM 1549 N THR B 76 28.973 -8.158 4.053 1.00 24.33 N ATOM 1550 CA THR B 76 28.254 -8.243 5.305 1.00 20.81 C ATOM 1551 C THR B 76 28.611 -7.026 6.147 1.00 23.03 C ATOM 1552 O THR B 76 29.768 -6.625 6.208 1.00 23.17 O ATOM 1553 CB THR B 76 28.501 -9.576 6.101 1.00 31.73 C ATOM 1554 OG1 THR B 76 28.250 -10.699 5.292 1.00 27.45 O ATOM 1555 CG2 THR B 76 27.683 -9.693 7.420 1.00 24.37 C ATOM 0 H THR B 76 29.802 -7.945 4.139 1.00 24.33 H new ATOM 0 HA THR B 76 27.306 -8.254 5.098 1.00 20.81 H new ATOM 0 HB THR B 76 29.437 -9.548 6.355 1.00 31.73 H new ATOM 0 HG1 THR B 76 27.848 -10.458 4.595 1.00 27.45 H new ATOM 0 HG21 THR B 76 27.887 -10.537 7.853 1.00 24.37 H new ATOM 0 HG22 THR B 76 27.917 -8.961 8.012 1.00 24.37 H new ATOM 0 HG23 THR B 76 26.735 -9.654 7.218 1.00 24.37 H new ATOM 1556 N THR B 77 27.596 -6.426 6.774 1.00 25.46 N ATOM 1557 CA THR B 77 27.826 -5.339 7.710 1.00 27.83 C ATOM 1558 C THR B 77 27.344 -5.755 9.131 1.00 29.02 C ATOM 1559 O THR B 77 26.248 -6.304 9.306 1.00 25.83 O ATOM 1560 CB THR B 77 27.134 -4.023 7.279 1.00 26.33 C ATOM 1561 OG1 THR B 77 27.713 -3.608 6.076 1.00 22.76 O ATOM 1562 CG2 THR B 77 27.374 -2.954 8.369 1.00 18.57 C ATOM 0 H THR B 77 26.769 -6.638 6.667 1.00 25.46 H new ATOM 0 HA THR B 77 28.780 -5.167 7.721 1.00 27.83 H new ATOM 0 HB THR B 77 26.180 -4.153 7.163 1.00 26.33 H new ATOM 0 HG1 THR B 77 27.351 -2.894 5.822 1.00 22.76 H new ATOM 0 HG21 THR B 77 26.944 -2.124 8.109 1.00 18.57 H new ATOM 0 HG22 THR B 77 27.002 -3.261 9.211 1.00 18.57 H new ATOM 0 HG23 THR B 77 28.327 -2.805 8.473 1.00 18.57 H new ATOM 1563 N VAL B 78 28.115 -5.489 10.172 1.00 23.76 N ATOM 1564 CA VAL B 78 27.562 -5.761 11.506 1.00 23.98 C ATOM 1565 C VAL B 78 27.428 -4.453 12.296 1.00 25.97 C ATOM 1566 O VAL B 78 28.301 -3.597 12.198 1.00 25.21 O ATOM 1567 CB VAL B 78 28.274 -6.816 12.364 1.00 25.82 C ATOM 1568 CG1 VAL B 78 28.138 -8.194 11.754 1.00 26.95 C ATOM 1569 CG2 VAL B 78 29.746 -6.485 12.502 1.00 22.97 C ATOM 0 H VAL B 78 28.913 -5.170 10.145 1.00 23.76 H new ATOM 0 HA VAL B 78 26.700 -6.162 11.316 1.00 23.98 H new ATOM 0 HB VAL B 78 27.854 -6.811 13.239 1.00 25.82 H new ATOM 0 HG11 VAL B 78 28.595 -8.842 12.313 1.00 26.95 H new ATOM 0 HG12 VAL B 78 27.199 -8.428 11.690 1.00 26.95 H new ATOM 0 HG13 VAL B 78 28.533 -8.196 10.868 1.00 26.95 H new ATOM 0 HG21 VAL B 78 30.180 -7.161 13.046 1.00 22.97 H new ATOM 0 HG22 VAL B 78 30.157 -6.465 11.624 1.00 22.97 H new ATOM 0 HG23 VAL B 78 29.845 -5.618 12.925 1.00 22.97 H new ATOM 1570 N PHE B 79 26.348 -4.282 13.063 1.00 21.65 N ATOM 1571 CA PHE B 79 26.233 -3.068 13.911 1.00 24.74 C ATOM 1572 C PHE B 79 26.144 -3.387 15.442 1.00 31.91 C ATOM 1573 O PHE B 79 25.524 -4.338 15.866 1.00 28.46 O ATOM 1574 CB PHE B 79 24.934 -2.337 13.698 1.00 23.32 C ATOM 1575 CG PHE B 79 24.860 -1.672 12.372 1.00 28.30 C ATOM 1576 CD1 PHE B 79 24.667 -2.426 11.208 1.00 32.01 C ATOM 1577 CD2 PHE B 79 24.936 -0.277 12.298 1.00 28.82 C ATOM 1578 CE1 PHE B 79 24.519 -1.778 9.974 1.00 35.25 C ATOM 1579 CE2 PHE B 79 24.794 0.386 11.078 1.00 33.49 C ATOM 1580 CZ PHE B 79 24.584 -0.378 9.924 1.00 32.85 C ATOM 0 H PHE B 79 25.688 -4.830 13.114 1.00 21.65 H new ATOM 0 HA PHE B 79 27.024 -2.565 13.662 1.00 24.74 H new ATOM 0 HB2 PHE B 79 24.198 -2.963 13.783 1.00 23.32 H new ATOM 0 HB3 PHE B 79 24.823 -1.672 14.396 1.00 23.32 H new ATOM 0 HD1 PHE B 79 24.637 -3.354 11.254 1.00 32.01 H new ATOM 0 HD2 PHE B 79 25.083 0.216 13.073 1.00 28.82 H new ATOM 0 HE1 PHE B 79 24.379 -2.271 9.198 1.00 35.25 H new ATOM 0 HE2 PHE B 79 24.838 1.314 11.033 1.00 33.49 H new ATOM 0 HZ PHE B 79 24.485 0.053 9.106 1.00 32.85 H new ATOM 1581 N THR B 80 26.705 -2.547 16.281 1.00 26.80 N ATOM 1582 CA THR B 80 26.587 -2.669 17.721 1.00 21.88 C ATOM 1583 C THR B 80 26.422 -1.289 18.355 1.00 24.31 C ATOM 1584 O THR B 80 26.892 -0.275 17.856 1.00 23.88 O ATOM 1585 CB THR B 80 27.625 -3.558 18.401 1.00 25.89 C ATOM 1586 OG1 THR B 80 27.160 -3.867 19.676 1.00 26.04 O ATOM 1587 CG2 THR B 80 29.009 -2.899 18.513 1.00 22.46 C ATOM 0 H THR B 80 27.176 -1.874 16.028 1.00 26.80 H new ATOM 0 HA THR B 80 25.775 -3.173 17.886 1.00 21.88 H new ATOM 0 HB THR B 80 27.739 -4.351 17.855 1.00 25.89 H new ATOM 0 HG1 THR B 80 26.321 -3.821 19.687 1.00 26.04 H new ATOM 0 HG21 THR B 80 29.623 -3.508 18.951 1.00 22.46 H new ATOM 0 HG22 THR B 80 29.340 -2.689 17.626 1.00 22.46 H new ATOM 0 HG23 THR B 80 28.938 -2.083 19.033 1.00 22.46 H new ATOM 1588 N GLY B 81 25.630 -1.221 19.423 1.00 25.45 N ATOM 1589 CA GLY B 81 25.434 0.076 20.069 1.00 23.38 C ATOM 1590 C GLY B 81 24.626 -0.051 21.320 1.00 23.43 C ATOM 1591 O GLY B 81 24.414 -1.126 21.875 1.00 27.68 O ATOM 0 H GLY B 81 25.212 -1.884 19.778 1.00 25.45 H new ATOM 0 HA2 GLY B 81 26.296 0.468 20.278 1.00 23.38 H new ATOM 0 HA3 GLY B 81 24.989 0.681 19.455 1.00 23.38 H new ATOM 1592 N GLN B 82 24.081 1.084 21.683 1.00 27.46 N ATOM 1593 CA GLN B 82 23.195 1.185 22.855 1.00 24.83 C ATOM 1594 C GLN B 82 21.987 2.102 22.519 1.00 28.83 C ATOM 1595 O GLN B 82 22.082 3.058 21.709 1.00 28.21 O ATOM 1596 CB GLN B 82 24.031 1.660 24.087 1.00 25.17 C ATOM 1597 CG GLN B 82 23.354 1.604 25.448 1.00 31.39 C ATOM 1598 CD GLN B 82 24.290 1.822 26.616 1.00 41.33 C ATOM 1599 OE1 GLN B 82 25.520 1.926 26.486 1.00 29.19 O ATOM 1600 NE2 GLN B 82 23.708 1.925 27.803 1.00 26.88 N ATOM 0 H GLN B 82 24.204 1.827 21.268 1.00 27.46 H new ATOM 0 HA GLN B 82 22.820 0.322 23.089 1.00 24.83 H new ATOM 0 HB2 GLN B 82 24.837 1.122 24.129 1.00 25.17 H new ATOM 0 HB3 GLN B 82 24.309 2.575 23.927 1.00 25.17 H new ATOM 0 HG2 GLN B 82 22.654 2.275 25.478 1.00 31.39 H new ATOM 0 HG3 GLN B 82 22.923 0.741 25.548 1.00 31.39 H new ATOM 0 HE21 GLN B 82 22.854 1.850 27.871 1.00 26.88 H new ATOM 0 HE22 GLN B 82 24.185 2.067 28.505 1.00 26.88 H new ATOM 1601 N CYS B 83 20.839 1.721 23.058 1.00 23.45 N ATOM 1602 CA CYS B 83 19.590 2.435 22.949 1.00 26.76 C ATOM 1603 C CYS B 83 19.524 3.333 24.186 1.00 29.30 C ATOM 1604 O CYS B 83 19.357 2.858 25.274 1.00 28.38 O ATOM 1605 CB CYS B 83 18.423 1.410 23.041 1.00 31.89 C ATOM 1606 SG CYS B 83 16.705 1.850 22.464 1.00 37.63 S ATOM 0 H CYS B 83 20.769 1.000 23.521 1.00 23.45 H new ATOM 0 HA CYS B 83 19.526 2.934 22.119 1.00 26.76 H new ATOM 0 HB2 CYS B 83 18.696 0.624 22.543 1.00 31.89 H new ATOM 0 HB3 CYS B 83 18.351 1.146 23.971 1.00 31.89 H new ATOM 1607 N PHE B 84 19.668 4.635 24.034 1.00 27.80 N ATOM 1608 CA PHE B 84 19.657 5.615 25.103 1.00 24.46 C ATOM 1609 C PHE B 84 18.375 6.470 25.190 1.00 31.58 C ATOM 1610 O PHE B 84 17.673 6.753 24.187 1.00 32.49 O ATOM 1611 CB PHE B 84 20.722 6.694 24.757 1.00 24.77 C ATOM 1612 CG PHE B 84 22.122 6.258 25.005 1.00 29.18 C ATOM 1613 CD1 PHE B 84 22.559 5.969 26.300 1.00 28.47 C ATOM 1614 CD2 PHE B 84 23.005 6.057 23.935 1.00 37.45 C ATOM 1615 CE1 PHE B 84 23.885 5.591 26.511 1.00 29.40 C ATOM 1616 CE2 PHE B 84 24.337 5.651 24.124 1.00 38.70 C ATOM 1617 CZ PHE B 84 24.773 5.448 25.435 1.00 32.10 C ATOM 0 H PHE B 84 19.781 4.993 23.260 1.00 27.80 H new ATOM 0 HA PHE B 84 19.781 5.100 25.916 1.00 24.46 H new ATOM 0 HB2 PHE B 84 20.629 6.940 23.823 1.00 24.77 H new ATOM 0 HB3 PHE B 84 20.543 7.492 25.279 1.00 24.77 H new ATOM 0 HD1 PHE B 84 21.970 6.028 27.017 1.00 28.47 H new ATOM 0 HD2 PHE B 84 22.698 6.197 23.068 1.00 37.45 H new ATOM 0 HE1 PHE B 84 24.184 5.432 27.377 1.00 29.40 H new ATOM 0 HE2 PHE B 84 24.908 5.522 23.401 1.00 38.70 H new ATOM 0 HZ PHE B 84 25.659 5.216 25.596 1.00 32.10 H new ATOM 1618 N ILE B 85 18.122 7.002 26.381 1.00 27.46 N ATOM 1619 CA ILE B 85 17.067 8.001 26.518 1.00 34.14 C ATOM 1620 C ILE B 85 17.872 9.296 26.639 1.00 39.42 C ATOM 1621 O ILE B 85 18.598 9.504 27.612 1.00 39.12 O ATOM 1622 CB ILE B 85 16.120 7.900 27.736 1.00 34.93 C ATOM 1623 CG1 ILE B 85 15.388 6.549 27.808 1.00 31.67 C ATOM 1624 CG2 ILE B 85 15.103 9.043 27.617 1.00 31.83 C ATOM 1625 CD1 ILE B 85 14.614 6.265 26.526 1.00 40.66 C ATOM 0 H ILE B 85 18.538 6.805 27.107 1.00 27.46 H new ATOM 0 HA ILE B 85 16.453 7.908 25.773 1.00 34.14 H new ATOM 0 HB ILE B 85 16.643 7.968 28.550 1.00 34.93 H new ATOM 0 HG12 ILE B 85 16.031 5.839 27.963 1.00 31.67 H new ATOM 0 HG13 ILE B 85 14.778 6.550 28.562 1.00 31.67 H new ATOM 0 HG21 ILE B 85 14.490 9.010 28.368 1.00 31.83 H new ATOM 0 HG22 ILE B 85 15.570 9.893 27.618 1.00 31.83 H new ATOM 0 HG23 ILE B 85 14.605 8.949 26.790 1.00 31.83 H new ATOM 0 HD11 ILE B 85 14.165 5.409 26.602 1.00 40.66 H new ATOM 0 HD12 ILE B 85 13.956 6.963 26.383 1.00 40.66 H new ATOM 0 HD13 ILE B 85 15.228 6.242 25.775 1.00 40.66 H new ATOM 1626 N ASP B 86 17.793 10.142 25.632 1.00 35.02 N ATOM 1627 CA ASP B 86 18.528 11.406 25.612 1.00 31.97 C ATOM 1628 C ASP B 86 17.966 12.525 26.596 1.00 37.67 C ATOM 1629 O ASP B 86 16.830 12.469 27.067 1.00 34.78 O ATOM 1630 CB ASP B 86 18.555 11.809 24.131 1.00 30.57 C ATOM 1631 CG ASP B 86 19.723 12.704 23.786 1.00 42.89 C ATOM 1632 OD1 ASP B 86 20.493 13.235 24.617 1.00 32.79 O ATOM 1633 OD2 ASP B 86 19.717 12.967 22.503 1.00 49.10 O ATOM 0 H ASP B 86 17.311 10.006 24.933 1.00 35.02 H new ATOM 0 HA ASP B 86 19.424 11.298 25.968 1.00 31.97 H new ATOM 0 HB2 ASP B 86 18.594 11.009 23.584 1.00 30.57 H new ATOM 0 HB3 ASP B 86 17.728 12.265 23.909 1.00 30.57 H new ATOM 1634 N ARG B 87 18.770 13.541 26.959 1.00 34.90 N ATOM 1635 CA ARG B 87 18.344 14.620 27.878 1.00 36.75 C ATOM 1636 C ARG B 87 16.945 15.216 27.635 1.00 34.45 C ATOM 1637 O ARG B 87 16.239 15.579 28.568 1.00 37.44 O ATOM 1638 CB ARG B 87 19.387 15.737 28.034 1.00 43.23 C ATOM 1639 CG ARG B 87 20.592 15.359 28.889 1.00 71.91 C ATOM 1640 CD ARG B 87 20.858 16.359 30.008 0.00 80.41 C ATOM 1641 NE ARG B 87 21.008 17.731 29.528 0.00 87.34 N ATOM 1642 CZ ARG B 87 20.285 18.758 29.965 0.00100.00 C ATOM 1643 NH1 ARG B 87 19.342 18.614 30.892 0.00 87.47 N ATOM 1644 NH2 ARG B 87 20.513 19.968 29.460 0.00 86.88 N ATOM 0 H ARG B 87 19.579 13.624 26.679 1.00 34.90 H new ATOM 0 HA ARG B 87 18.272 14.142 28.719 1.00 36.75 H new ATOM 0 HB2 ARG B 87 19.698 15.999 27.153 1.00 43.23 H new ATOM 0 HB3 ARG B 87 18.957 16.513 28.426 1.00 43.23 H new ATOM 0 HG2 ARG B 87 20.448 14.480 29.274 1.00 71.91 H new ATOM 0 HG3 ARG B 87 21.378 15.296 28.324 1.00 71.91 H new ATOM 0 HD2 ARG B 87 20.128 16.323 30.646 0.00 80.41 H new ATOM 0 HD3 ARG B 87 21.663 16.098 30.483 0.00 80.41 H new ATOM 0 HE ARG B 87 21.601 17.884 28.925 0.00 87.34 H new ATOM 0 HH11 ARG B 87 19.184 17.838 31.228 0.00 87.47 H new ATOM 0 HH12 ARG B 87 18.890 19.297 31.155 0.00 87.47 H new ATOM 0 HH21 ARG B 87 21.120 20.076 28.861 0.00 86.88 H new ATOM 0 HH22 ARG B 87 20.053 20.642 29.733 0.00 86.88 H new ATOM 1645 N ASN B 88 16.529 15.277 26.382 1.00 26.95 N ATOM 1646 CA ASN B 88 15.232 15.811 26.028 1.00 29.99 C ATOM 1647 C ASN B 88 14.138 14.774 25.959 1.00 32.47 C ATOM 1648 O ASN B 88 13.071 15.067 25.416 1.00 34.56 O ATOM 1649 CB ASN B 88 15.279 16.482 24.631 1.00 27.96 C ATOM 1650 CG ASN B 88 15.774 15.573 23.499 1.00 42.56 C ATOM 1651 OD1 ASN B 88 15.928 16.123 22.422 1.00 48.74 O ATOM 1652 ND2 ASN B 88 16.055 14.243 23.691 1.00 30.64 N ATOM 0 H ASN B 88 16.995 15.008 25.711 1.00 26.95 H new ATOM 0 HA ASN B 88 15.028 16.441 26.737 1.00 29.99 H new ATOM 0 HB2 ASN B 88 14.390 16.800 24.409 1.00 27.96 H new ATOM 0 HB3 ASN B 88 15.855 17.261 24.679 1.00 27.96 H new ATOM 0 HD21 ASN B 88 16.351 13.767 23.038 1.00 30.64 H new ATOM 0 HD22 ASN B 88 15.935 13.885 24.464 1.00 30.64 H new ATOM 1653 N GLY B 89 14.411 13.558 26.397 1.00 28.58 N ATOM 1654 CA GLY B 89 13.359 12.552 26.325 1.00 31.05 C ATOM 1655 C GLY B 89 13.280 11.809 24.995 1.00 33.29 C ATOM 1656 O GLY B 89 12.511 10.885 24.847 1.00 28.96 O ATOM 0 H GLY B 89 15.162 13.298 26.726 1.00 28.58 H new ATOM 0 HA2 GLY B 89 13.497 11.906 27.035 1.00 31.05 H new ATOM 0 HA3 GLY B 89 12.506 12.981 26.493 1.00 31.05 H new ATOM 1657 N LYS B 90 14.094 12.168 24.023 1.00 33.83 N ATOM 1658 CA LYS B 90 14.059 11.408 22.778 1.00 35.13 C ATOM 1659 C LYS B 90 14.837 10.059 22.850 1.00 34.20 C ATOM 1660 O LYS B 90 15.838 9.923 23.564 1.00 38.72 O ATOM 1661 CB LYS B 90 14.518 12.292 21.607 1.00 36.74 C ATOM 1662 CG LYS B 90 13.317 13.087 21.045 1.00 68.13 C ATOM 1663 CD LYS B 90 13.463 13.718 19.648 1.00 70.04 C ATOM 1664 CE LYS B 90 12.519 13.110 18.624 0.00 81.41 C ATOM 1665 NZ LYS B 90 12.492 13.852 17.355 0.00 90.69 N ATOM 0 H LYS B 90 14.655 12.820 24.052 1.00 33.83 H new ATOM 0 HA LYS B 90 13.137 11.149 22.623 1.00 35.13 H new ATOM 0 HB2 LYS B 90 15.210 12.903 21.905 1.00 36.74 H new ATOM 0 HB3 LYS B 90 14.907 11.742 20.909 1.00 36.74 H new ATOM 0 HG2 LYS B 90 12.550 12.494 21.025 1.00 68.13 H new ATOM 0 HG3 LYS B 90 13.110 13.797 21.672 1.00 68.13 H new ATOM 0 HD2 LYS B 90 13.296 14.671 19.710 1.00 70.04 H new ATOM 0 HD3 LYS B 90 14.377 13.610 19.343 1.00 70.04 H new ATOM 0 HE2 LYS B 90 12.785 12.193 18.451 0.00 81.41 H new ATOM 0 HE3 LYS B 90 11.623 13.081 18.995 0.00 81.41 H new ATOM 0 HZ1 LYS B 90 11.927 13.457 16.792 0.00 90.69 H new ATOM 0 HZ2 LYS B 90 12.225 14.688 17.505 0.00 90.69 H new ATOM 0 HZ3 LYS B 90 13.307 13.861 16.999 0.00 90.69 H new ATOM 1666 N GLU B 91 14.401 9.040 22.116 1.00 26.95 N ATOM 1667 CA GLU B 91 15.128 7.759 22.020 1.00 27.66 C ATOM 1668 C GLU B 91 16.171 7.910 20.933 1.00 30.50 C ATOM 1669 O GLU B 91 15.867 8.439 19.877 1.00 34.77 O ATOM 1670 CB GLU B 91 14.313 6.550 21.554 1.00 29.04 C ATOM 1671 CG GLU B 91 13.531 5.845 22.676 1.00 35.19 C ATOM 1672 CD GLU B 91 12.178 5.368 22.198 1.00 53.89 C ATOM 1673 OE1 GLU B 91 11.485 5.982 21.374 1.00 60.89 O ATOM 1674 OE2 GLU B 91 11.892 4.182 22.680 1.00 33.84 O ATOM 0 H GLU B 91 13.675 9.064 21.656 1.00 26.95 H new ATOM 0 HA GLU B 91 15.444 7.592 22.922 1.00 27.66 H new ATOM 0 HB2 GLU B 91 13.688 6.838 20.870 1.00 29.04 H new ATOM 0 HB3 GLU B 91 14.912 5.909 21.139 1.00 29.04 H new ATOM 0 HG2 GLU B 91 14.044 5.090 23.003 1.00 35.19 H new ATOM 0 HG3 GLU B 91 13.415 6.454 23.422 1.00 35.19 H new ATOM 1675 N VAL B 92 17.370 7.438 21.180 1.00 32.63 N ATOM 1676 CA VAL B 92 18.499 7.553 20.245 1.00 35.55 C ATOM 1677 C VAL B 92 19.321 6.277 20.150 1.00 40.19 C ATOM 1678 O VAL B 92 19.861 5.791 21.182 1.00 39.53 O ATOM 1679 CB VAL B 92 19.490 8.604 20.744 1.00 39.80 C ATOM 1680 CG1 VAL B 92 20.505 8.862 19.642 1.00 39.68 C ATOM 1681 CG2 VAL B 92 18.758 9.902 21.030 1.00 42.02 C ATOM 0 H VAL B 92 17.570 7.029 21.910 1.00 32.63 H new ATOM 0 HA VAL B 92 18.098 7.771 19.389 1.00 35.55 H new ATOM 0 HB VAL B 92 19.924 8.288 21.552 1.00 39.80 H new ATOM 0 HG11 VAL B 92 21.144 9.528 19.940 1.00 39.68 H new ATOM 0 HG12 VAL B 92 20.971 8.038 19.432 1.00 39.68 H new ATOM 0 HG13 VAL B 92 20.048 9.185 18.850 1.00 39.68 H new ATOM 0 HG21 VAL B 92 19.389 10.567 21.346 1.00 42.02 H new ATOM 0 HG22 VAL B 92 18.334 10.220 20.218 1.00 42.02 H new ATOM 0 HG23 VAL B 92 18.082 9.750 21.709 1.00 42.02 H new ATOM 1682 N LEU B 93 19.514 5.789 18.930 1.00 26.82 N ATOM 1683 CA LEU B 93 20.392 4.614 18.836 1.00 28.13 C ATOM 1684 C LEU B 93 21.815 5.042 18.475 1.00 31.36 C ATOM 1685 O LEU B 93 22.080 5.659 17.460 1.00 30.47 O ATOM 1686 CB LEU B 93 19.892 3.671 17.767 1.00 27.62 C ATOM 1687 CG LEU B 93 18.873 2.617 18.188 1.00 32.28 C ATOM 1688 CD1 LEU B 93 18.039 2.959 19.371 1.00 28.93 C ATOM 1689 CD2 LEU B 93 18.061 2.108 16.999 1.00 33.56 C ATOM 0 H LEU B 93 19.180 6.088 18.196 1.00 26.82 H new ATOM 0 HA LEU B 93 20.390 4.168 19.698 1.00 28.13 H new ATOM 0 HB2 LEU B 93 19.499 4.203 17.057 1.00 27.62 H new ATOM 0 HB3 LEU B 93 20.658 3.213 17.387 1.00 27.62 H new ATOM 0 HG LEU B 93 19.408 1.877 18.515 1.00 32.28 H new ATOM 0 HD11 LEU B 93 17.427 2.230 19.557 1.00 28.93 H new ATOM 0 HD12 LEU B 93 18.612 3.104 20.140 1.00 28.93 H new ATOM 0 HD13 LEU B 93 17.533 3.766 19.188 1.00 28.93 H new ATOM 0 HD21 LEU B 93 17.425 1.441 17.303 1.00 33.56 H new ATOM 0 HD22 LEU B 93 17.584 2.848 16.592 1.00 33.56 H new ATOM 0 HD23 LEU B 93 18.658 1.711 16.346 1.00 33.56 H new ATOM 1690 N LYS B 94 22.805 4.754 19.283 1.00 29.02 N ATOM 1691 CA LYS B 94 24.191 5.130 18.890 1.00 23.86 C ATOM 1692 C LYS B 94 24.908 3.857 18.575 1.00 26.79 C ATOM 1693 O LYS B 94 24.907 2.930 19.413 1.00 29.95 O ATOM 1694 CB LYS B 94 24.981 5.836 19.976 1.00 31.09 C ATOM 1695 CG LYS B 94 24.178 6.935 20.643 1.00 47.63 C ATOM 1696 CD LYS B 94 24.966 8.162 20.996 1.00 39.58 C ATOM 1697 CE LYS B 94 25.432 8.933 19.795 1.00 35.84 C ATOM 1698 NZ LYS B 94 26.717 9.602 20.058 1.00 46.56 N ATOM 0 H LYS B 94 22.728 4.356 20.042 1.00 29.02 H new ATOM 0 HA LYS B 94 24.124 5.748 18.146 1.00 23.86 H new ATOM 0 HB2 LYS B 94 25.259 5.190 20.644 1.00 31.09 H new ATOM 0 HB3 LYS B 94 25.788 6.214 19.593 1.00 31.09 H new ATOM 0 HG2 LYS B 94 23.451 7.191 20.054 1.00 47.63 H new ATOM 0 HG3 LYS B 94 23.776 6.580 21.451 1.00 47.63 H new ATOM 0 HD2 LYS B 94 24.421 8.740 21.552 1.00 39.58 H new ATOM 0 HD3 LYS B 94 25.736 7.903 21.525 1.00 39.58 H new ATOM 0 HE2 LYS B 94 25.526 8.333 19.039 1.00 35.84 H new ATOM 0 HE3 LYS B 94 24.764 9.593 19.552 1.00 35.84 H new ATOM 0 HZ1 LYS B 94 26.972 10.051 19.333 1.00 46.56 H new ATOM 0 HZ2 LYS B 94 26.624 10.167 20.739 1.00 46.56 H new ATOM 0 HZ3 LYS B 94 27.333 8.993 20.261 1.00 46.56 H new ATOM 1699 N THR B 95 25.431 3.791 17.354 1.00 22.08 N ATOM 1700 CA THR B 95 26.085 2.570 16.919 1.00 25.50 C ATOM 1701 C THR B 95 27.384 2.844 16.156 1.00 29.85 C ATOM 1702 O THR B 95 27.610 3.925 15.640 1.00 24.29 O ATOM 1703 CB THR B 95 25.151 1.816 15.943 1.00 25.96 C ATOM 1704 OG1 THR B 95 25.034 2.606 14.721 1.00 33.54 O ATOM 1705 CG2 THR B 95 23.752 1.687 16.555 1.00 32.27 C ATOM 0 H THR B 95 25.417 4.428 16.776 1.00 22.08 H new ATOM 0 HA THR B 95 26.283 2.057 17.718 1.00 25.50 H new ATOM 0 HB THR B 95 25.514 0.935 15.763 1.00 25.96 H new ATOM 0 HG1 THR B 95 25.023 3.423 14.915 1.00 33.54 H new ATOM 0 HG21 THR B 95 23.171 1.214 15.939 1.00 32.27 H new ATOM 0 HG22 THR B 95 23.808 1.195 17.389 1.00 32.27 H new ATOM 0 HG23 THR B 95 23.390 2.571 16.725 1.00 32.27 H new ATOM 1706 N MET B 96 28.176 1.766 16.055 1.00 28.24 N ATOM 1707 CA MET B 96 29.372 1.622 15.265 1.00 25.04 C ATOM 1708 C MET B 96 29.196 0.345 14.425 1.00 30.10 C ATOM 1709 O MET B 96 28.454 -0.609 14.779 1.00 24.11 O ATOM 1710 CB MET B 96 30.633 1.587 16.097 1.00 27.51 C ATOM 1711 CG MET B 96 30.827 2.930 16.817 1.00 35.27 C ATOM 1712 SD MET B 96 32.571 3.319 17.254 1.00 38.84 S ATOM 1713 CE MET B 96 33.251 3.463 15.554 1.00 36.20 C ATOM 0 H MET B 96 27.998 1.046 16.491 1.00 28.24 H new ATOM 0 HA MET B 96 29.486 2.398 14.695 1.00 25.04 H new ATOM 0 HB2 MET B 96 30.581 0.868 16.746 1.00 27.51 H new ATOM 0 HB3 MET B 96 31.398 1.402 15.530 1.00 27.51 H new ATOM 0 HG2 MET B 96 30.481 3.639 16.253 1.00 35.27 H new ATOM 0 HG3 MET B 96 30.295 2.929 17.628 1.00 35.27 H new ATOM 0 HE1 MET B 96 33.945 2.797 15.425 1.00 36.20 H new ATOM 0 HE2 MET B 96 32.542 3.319 14.908 1.00 36.20 H new ATOM 0 HE3 MET B 96 33.626 4.349 15.429 1.00 36.20 H new ATOM 1714 N TRP B 97 29.846 0.332 13.257 1.00 25.97 N ATOM 1715 CA TRP B 97 29.693 -0.813 12.379 1.00 23.94 C ATOM 1716 C TRP B 97 31.004 -1.250 11.813 1.00 24.74 C ATOM 1717 O TRP B 97 31.959 -0.493 11.775 1.00 21.46 O ATOM 1718 CB TRP B 97 28.654 -0.589 11.223 1.00 21.22 C ATOM 1719 CG TRP B 97 28.810 0.741 10.507 1.00 22.99 C ATOM 1720 CD1 TRP B 97 28.155 1.941 10.757 1.00 25.53 C ATOM 1721 CD2 TRP B 97 29.745 1.024 9.490 1.00 21.85 C ATOM 1722 NE1 TRP B 97 28.599 2.947 9.919 1.00 24.25 N ATOM 1723 CE2 TRP B 97 29.595 2.420 9.139 1.00 26.45 C ATOM 1724 CE3 TRP B 97 30.675 0.230 8.855 1.00 21.31 C ATOM 1725 CZ2 TRP B 97 30.376 3.025 8.126 1.00 27.23 C ATOM 1726 CZ3 TRP B 97 31.471 0.844 7.906 1.00 25.62 C ATOM 1727 CH2 TRP B 97 31.338 2.210 7.524 1.00 25.98 C ATOM 0 H TRP B 97 30.362 0.957 12.968 1.00 25.97 H new ATOM 0 HA TRP B 97 29.338 -1.519 12.942 1.00 23.94 H new ATOM 0 HB2 TRP B 97 28.742 -1.307 10.577 1.00 21.22 H new ATOM 0 HB3 TRP B 97 27.758 -0.646 11.590 1.00 21.22 H new ATOM 0 HD1 TRP B 97 27.500 2.053 11.407 1.00 25.53 H new ATOM 0 HE1 TRP B 97 28.304 3.755 9.892 1.00 24.25 H new ATOM 0 HE3 TRP B 97 30.763 -0.674 9.055 1.00 21.31 H new ATOM 0 HZ2 TRP B 97 30.256 3.913 7.876 1.00 27.23 H new ATOM 0 HZ3 TRP B 97 32.132 0.336 7.493 1.00 25.62 H new ATOM 0 HH2 TRP B 97 31.896 2.562 6.869 1.00 25.98 H new ATOM 1728 N LEU B 98 31.016 -2.512 11.405 1.00 22.74 N ATOM 1729 CA LEU B 98 32.135 -3.077 10.667 1.00 21.79 C ATOM 1730 C LEU B 98 31.533 -3.574 9.350 1.00 29.30 C ATOM 1731 O LEU B 98 30.516 -4.279 9.350 1.00 24.30 O ATOM 1732 CB LEU B 98 32.949 -4.216 11.295 1.00 19.86 C ATOM 1733 CG LEU B 98 33.711 -3.927 12.599 1.00 26.27 C ATOM 1734 CD1 LEU B 98 34.197 -5.268 13.240 1.00 22.14 C ATOM 1735 CD2 LEU B 98 34.878 -3.012 12.286 1.00 26.54 C ATOM 0 H LEU B 98 30.374 -3.066 11.549 1.00 22.74 H new ATOM 0 HA LEU B 98 32.795 -2.368 10.608 1.00 21.79 H new ATOM 0 HB2 LEU B 98 32.344 -4.956 11.462 1.00 19.86 H new ATOM 0 HB3 LEU B 98 33.593 -4.519 10.636 1.00 19.86 H new ATOM 0 HG LEU B 98 33.130 -3.488 13.239 1.00 26.27 H new ATOM 0 HD11 LEU B 98 34.677 -5.079 14.062 1.00 22.14 H new ATOM 0 HD12 LEU B 98 33.431 -5.830 13.435 1.00 22.14 H new ATOM 0 HD13 LEU B 98 34.785 -5.728 12.621 1.00 22.14 H new ATOM 0 HD21 LEU B 98 35.368 -2.822 13.101 1.00 26.54 H new ATOM 0 HD22 LEU B 98 35.467 -3.445 11.649 1.00 26.54 H new ATOM 0 HD23 LEU B 98 34.547 -2.183 11.907 1.00 26.54 H new ATOM 1736 N LEU B 99 32.117 -3.151 8.218 1.00 29.13 N ATOM 1737 CA LEU B 99 31.602 -3.590 6.907 1.00 27.40 C ATOM 1738 C LEU B 99 32.628 -4.524 6.265 1.00 26.43 C ATOM 1739 O LEU B 99 33.758 -4.147 6.070 1.00 24.84 O ATOM 1740 CB LEU B 99 31.284 -2.374 6.023 1.00 26.62 C ATOM 1741 CG LEU B 99 31.466 -2.555 4.523 1.00 33.55 C ATOM 1742 CD1 LEU B 99 30.333 -3.384 3.949 1.00 29.25 C ATOM 1743 CD2 LEU B 99 31.323 -1.177 3.879 1.00 39.48 C ATOM 0 H LEU B 99 32.795 -2.623 8.185 1.00 29.13 H new ATOM 0 HA LEU B 99 30.771 -4.078 7.016 1.00 27.40 H new ATOM 0 HB2 LEU B 99 30.365 -2.112 6.187 1.00 26.62 H new ATOM 0 HB3 LEU B 99 31.845 -1.636 6.309 1.00 26.62 H new ATOM 0 HG LEU B 99 32.323 -2.978 4.357 1.00 33.55 H new ATOM 0 HD11 LEU B 99 30.462 -3.491 2.994 1.00 29.25 H new ATOM 0 HD12 LEU B 99 30.323 -4.256 4.373 1.00 29.25 H new ATOM 0 HD13 LEU B 99 29.489 -2.936 4.113 1.00 29.25 H new ATOM 0 HD21 LEU B 99 31.434 -1.255 2.919 1.00 39.48 H new ATOM 0 HD22 LEU B 99 30.443 -0.818 4.074 1.00 39.48 H new ATOM 0 HD23 LEU B 99 32.001 -0.581 4.235 1.00 39.48 H new ATOM 1744 N ARG B 100 32.276 -5.756 6.064 1.00 21.42 N ATOM 1745 CA ARG B 100 33.227 -6.697 5.571 1.00 24.77 C ATOM 1746 C ARG B 100 33.046 -6.883 4.058 1.00 27.83 C ATOM 1747 O ARG B 100 31.997 -7.254 3.616 1.00 30.92 O ATOM 1748 CB ARG B 100 32.990 -8.049 6.244 1.00 22.20 C ATOM 1749 CG ARG B 100 33.746 -9.226 5.565 1.00 27.40 C ATOM 1750 CD ARG B 100 35.248 -9.105 5.741 1.00 31.93 C ATOM 1751 NE ARG B 100 36.137 -9.978 5.000 1.00 27.75 N ATOM 1752 CZ ARG B 100 37.346 -10.461 5.397 1.00 41.55 C ATOM 1753 NH1 ARG B 100 37.871 -10.295 6.587 1.00 29.61 N ATOM 1754 NH2 ARG B 100 38.074 -11.178 4.571 1.00 25.77 N ATOM 0 H ARG B 100 31.489 -6.071 6.207 1.00 21.42 H new ATOM 0 HA ARG B 100 34.120 -6.369 5.761 1.00 24.77 H new ATOM 0 HB2 ARG B 100 33.264 -7.992 7.173 1.00 22.20 H new ATOM 0 HB3 ARG B 100 32.039 -8.241 6.241 1.00 22.20 H new ATOM 0 HG2 ARG B 100 33.442 -10.066 5.943 1.00 27.40 H new ATOM 0 HG3 ARG B 100 33.531 -9.246 4.619 1.00 27.40 H new ATOM 0 HD2 ARG B 100 35.492 -8.192 5.522 1.00 31.93 H new ATOM 0 HD3 ARG B 100 35.439 -9.231 6.684 1.00 31.93 H new ATOM 0 HE ARG B 100 35.869 -10.219 4.219 1.00 27.75 H new ATOM 0 HH11 ARG B 100 37.444 -9.851 7.187 1.00 29.61 H new ATOM 0 HH12 ARG B 100 38.642 -10.630 6.767 1.00 29.61 H new ATOM 0 HH21 ARG B 100 37.787 -11.343 3.777 1.00 25.77 H new ATOM 0 HH22 ARG B 100 38.838 -11.482 4.824 1.00 25.77 H new ATOM 1755 N SER B 101 34.080 -6.679 3.258 1.00 23.58 N ATOM 1756 CA SER B 101 33.957 -6.922 1.821 1.00 22.18 C ATOM 1757 C SER B 101 34.492 -8.332 1.534 1.00 30.05 C ATOM 1758 O SER B 101 35.354 -8.864 2.273 1.00 31.20 O ATOM 1759 CB SER B 101 34.894 -5.960 1.084 1.00 25.48 C ATOM 1760 OG SER B 101 34.307 -4.688 0.902 1.00 45.11 O ATOM 0 H SER B 101 34.853 -6.404 3.517 1.00 23.58 H new ATOM 0 HA SER B 101 33.034 -6.812 1.543 1.00 22.18 H new ATOM 0 HB2 SER B 101 35.719 -5.866 1.585 1.00 25.48 H new ATOM 0 HB3 SER B 101 35.127 -6.335 0.220 1.00 25.48 H new ATOM 0 HG SER B 101 34.460 -4.209 1.575 1.00 45.11 H new ATOM 1761 N SER B 102 34.020 -8.973 0.458 1.00 25.33 N ATOM 1762 CA SER B 102 34.571 -10.300 0.069 1.00 26.72 C ATOM 1763 C SER B 102 35.916 -10.197 -0.673 1.00 33.44 C ATOM 1764 O SER B 102 36.067 -9.382 -1.549 1.00 35.97 O ATOM 1765 CB SER B 102 33.593 -11.132 -0.790 1.00 26.10 C ATOM 1766 OG SER B 102 33.522 -10.634 -2.109 1.00 68.84 O ATOM 0 H SER B 102 33.397 -8.674 -0.054 1.00 25.33 H new ATOM 0 HA SER B 102 34.712 -10.756 0.913 1.00 26.72 H new ATOM 0 HB2 SER B 102 33.880 -12.058 -0.806 1.00 26.10 H new ATOM 0 HB3 SER B 102 32.711 -11.116 -0.387 1.00 26.10 H new ATOM 0 HG SER B 102 33.098 -11.176 -2.591 1.00 68.84 H new ATOM 1767 N VAL B 103 36.914 -10.971 -0.323 1.00 31.20 N ATOM 1768 CA VAL B 103 38.150 -10.991 -1.085 1.00 32.96 C ATOM 1769 C VAL B 103 38.305 -12.390 -1.722 1.00 41.04 C ATOM 1770 O VAL B 103 37.716 -13.354 -1.248 1.00 41.30 O ATOM 1771 CB VAL B 103 39.430 -10.576 -0.336 1.00 38.03 C ATOM 1772 CG1 VAL B 103 39.315 -9.090 0.011 1.00 39.36 C ATOM 1773 CG2 VAL B 103 39.771 -11.442 0.899 1.00 36.81 C ATOM 0 H VAL B 103 36.902 -11.498 0.356 1.00 31.20 H new ATOM 0 HA VAL B 103 38.060 -10.295 -1.755 1.00 32.96 H new ATOM 0 HB VAL B 103 40.183 -10.731 -0.928 1.00 38.03 H new ATOM 0 HG11 VAL B 103 40.112 -8.805 0.485 1.00 39.36 H new ATOM 0 HG12 VAL B 103 39.222 -8.573 -0.805 1.00 39.36 H new ATOM 0 HG13 VAL B 103 38.537 -8.948 0.573 1.00 39.36 H new ATOM 0 HG21 VAL B 103 40.587 -11.114 1.309 1.00 36.81 H new ATOM 0 HG22 VAL B 103 39.045 -11.392 1.540 1.00 36.81 H new ATOM 0 HG23 VAL B 103 39.896 -12.364 0.624 1.00 36.81 H new ATOM 1774 N ASN B 104 39.110 -12.523 -2.790 1.00 47.84 N ATOM 1775 CA ASN B 104 39.363 -13.811 -3.477 1.00 47.71 C ATOM 1776 C ASN B 104 40.532 -14.593 -2.898 1.00 48.83 C ATOM 1777 O ASN B 104 40.561 -15.836 -2.872 1.00 50.98 O ATOM 1778 CB ASN B 104 39.472 -13.662 -4.992 1.00 44.21 C ATOM 1779 CG ASN B 104 38.124 -13.903 -5.655 1.00 73.83 C ATOM 1780 OD1 ASN B 104 37.579 -15.016 -5.613 0.00 68.12 O ATOM 1781 ND2 ASN B 104 37.584 -12.852 -6.267 1.00 64.12 N ATOM 0 H ASN B 104 39.531 -11.861 -3.142 1.00 47.84 H new ATOM 0 HA ASN B 104 38.573 -14.346 -3.302 1.00 47.71 H new ATOM 0 HB2 ASN B 104 39.791 -12.773 -5.212 1.00 44.21 H new ATOM 0 HB3 ASN B 104 40.124 -14.291 -5.337 1.00 44.21 H new ATOM 0 HD21 ASN B 104 36.822 -12.927 -6.658 1.00 64.12 H new ATOM 0 HD22 ASN B 104 37.997 -12.098 -6.272 1.00 64.12 H new ATOM 1782 N ASP B 105 41.490 -13.856 -2.363 1.00 40.36 N ATOM 1783 CA ASP B 105 42.580 -14.556 -1.784 1.00 38.85 C ATOM 1784 C ASP B 105 42.681 -14.169 -0.344 1.00 42.94 C ATOM 1785 O ASP B 105 42.573 -12.997 0.027 1.00 41.92 O ATOM 1786 CB ASP B 105 43.931 -14.363 -2.534 1.00 40.06 C ATOM 1787 CG ASP B 105 45.048 -15.175 -1.945 0.00 49.80 C ATOM 1788 OD1 ASP B 105 44.927 -16.341 -1.620 0.00 50.23 O ATOM 1789 OD2 ASP B 105 46.160 -14.493 -1.818 0.00 55.62 O ATOM 0 H ASP B 105 41.519 -12.997 -2.331 1.00 40.36 H new ATOM 0 HA ASP B 105 42.399 -15.506 -1.864 1.00 38.85 H new ATOM 0 HB2 ASP B 105 43.816 -14.607 -3.466 1.00 40.06 H new ATOM 0 HB3 ASP B 105 44.175 -13.424 -2.515 1.00 40.06 H new ATOM 1790 N ILE B 106 42.965 -15.172 0.451 1.00 37.19 N ATOM 1791 CA ILE B 106 43.193 -14.932 1.831 1.00 36.78 C ATOM 1792 C ILE B 106 44.299 -13.916 1.973 1.00 42.38 C ATOM 1793 O ILE B 106 44.500 -13.279 2.992 1.00 46.43 O ATOM 1794 CB ILE B 106 43.684 -16.207 2.468 1.00 40.61 C ATOM 1795 CG1 ILE B 106 44.036 -15.904 3.920 1.00 41.01 C ATOM 1796 CG2 ILE B 106 44.959 -16.580 1.750 1.00 38.11 C ATOM 1797 CD1 ILE B 106 43.660 -17.000 4.894 1.00 44.22 C ATOM 0 H ILE B 106 43.028 -15.994 0.205 1.00 37.19 H new ATOM 0 HA ILE B 106 42.374 -14.621 2.247 1.00 36.78 H new ATOM 0 HB ILE B 106 43.021 -16.913 2.420 1.00 40.61 H new ATOM 0 HG12 ILE B 106 44.990 -15.743 3.984 1.00 41.01 H new ATOM 0 HG13 ILE B 106 43.591 -15.084 4.185 1.00 41.01 H new ATOM 0 HG21 ILE B 106 45.315 -17.400 2.127 1.00 38.11 H new ATOM 0 HG22 ILE B 106 44.773 -16.713 0.807 1.00 38.11 H new ATOM 0 HG23 ILE B 106 45.609 -15.868 1.854 1.00 38.11 H new ATOM 0 HD11 ILE B 106 43.914 -16.736 5.792 1.00 44.22 H new ATOM 0 HD12 ILE B 106 42.702 -17.149 4.860 1.00 44.22 H new ATOM 0 HD13 ILE B 106 44.123 -17.818 4.655 1.00 44.22 H new ATOM 1798 N GLY B 107 45.091 -13.783 0.955 1.00 39.95 N ATOM 1799 CA GLY B 107 46.188 -12.858 1.078 1.00 36.65 C ATOM 1800 C GLY B 107 45.719 -11.411 1.149 1.00 41.56 C ATOM 1801 O GLY B 107 46.440 -10.554 1.687 1.00 41.70 O ATOM 0 H GLY B 107 45.024 -14.198 0.205 1.00 39.95 H new ATOM 0 HA2 GLY B 107 46.699 -13.070 1.875 1.00 36.65 H new ATOM 0 HA3 GLY B 107 46.785 -12.965 0.321 1.00 36.65 H new ATOM 1802 N ASP B 108 44.518 -11.141 0.634 1.00 32.00 N ATOM 1803 CA ASP B 108 44.023 -9.784 0.582 1.00 32.12 C ATOM 1804 C ASP B 108 43.119 -9.341 1.758 1.00 31.70 C ATOM 1805 O ASP B 108 42.575 -8.207 1.795 1.00 27.66 O ATOM 1806 CB ASP B 108 43.438 -9.524 -0.826 1.00 37.50 C ATOM 1807 CG ASP B 108 44.463 -9.506 -1.945 1.00 34.68 C ATOM 1808 OD1 ASP B 108 45.494 -10.154 -1.917 0.00 35.18 O ATOM 1809 OD2 ASP B 108 44.113 -8.734 -2.943 0.00 40.57 O ATOM 0 H ASP B 108 43.983 -11.733 0.313 1.00 32.00 H new ATOM 0 HA ASP B 108 44.779 -9.193 0.722 1.00 32.12 H new ATOM 0 HB2 ASP B 108 42.778 -10.208 -1.020 1.00 37.50 H new ATOM 0 HB3 ASP B 108 42.972 -8.673 -0.817 1.00 37.50 H new ATOM 1810 N ASP B 109 42.998 -10.268 2.727 1.00 29.72 N ATOM 1811 CA ASP B 109 42.201 -10.137 3.949 1.00 27.08 C ATOM 1812 C ASP B 109 42.419 -8.822 4.716 1.00 26.28 C ATOM 1813 O ASP B 109 41.501 -8.149 5.186 1.00 27.18 O ATOM 1814 CB ASP B 109 42.560 -11.311 4.854 1.00 29.73 C ATOM 1815 CG ASP B 109 41.660 -11.310 6.044 1.00 30.75 C ATOM 1816 OD1 ASP B 109 40.441 -11.486 6.005 1.00 28.70 O ATOM 1817 OD2 ASP B 109 42.332 -11.035 7.114 1.00 39.81 O ATOM 0 H ASP B 109 43.402 -11.026 2.680 1.00 29.72 H new ATOM 0 HA ASP B 109 41.267 -10.133 3.688 1.00 27.08 H new ATOM 0 HB2 ASP B 109 42.471 -12.146 4.369 1.00 29.73 H new ATOM 0 HB3 ASP B 109 43.486 -11.244 5.136 1.00 29.73 H new ATOM 1818 N TRP B 110 43.673 -8.445 4.817 1.00 25.61 N ATOM 1819 CA TRP B 110 44.039 -7.249 5.538 1.00 30.52 C ATOM 1820 C TRP B 110 43.316 -6.013 5.095 1.00 32.93 C ATOM 1821 O TRP B 110 43.171 -5.082 5.865 1.00 30.54 O ATOM 1822 CB TRP B 110 45.561 -6.945 5.543 1.00 31.73 C ATOM 1823 CG TRP B 110 46.002 -6.461 4.221 1.00 33.72 C ATOM 1824 CD1 TRP B 110 46.363 -7.235 3.169 1.00 34.61 C ATOM 1825 CD2 TRP B 110 46.123 -5.110 3.800 1.00 36.95 C ATOM 1826 NE1 TRP B 110 46.646 -6.445 2.102 1.00 30.67 N ATOM 1827 CE2 TRP B 110 46.498 -5.143 2.445 1.00 38.01 C ATOM 1828 CE3 TRP B 110 45.959 -3.880 4.431 1.00 41.13 C ATOM 1829 CZ2 TRP B 110 46.656 -3.975 1.702 1.00 42.01 C ATOM 1830 CZ3 TRP B 110 46.066 -2.715 3.687 1.00 45.34 C ATOM 1831 CH2 TRP B 110 46.405 -2.761 2.342 1.00 46.42 C ATOM 0 H TRP B 110 44.335 -8.872 4.472 1.00 25.61 H new ATOM 0 HA TRP B 110 43.760 -7.468 6.441 1.00 30.52 H new ATOM 0 HB2 TRP B 110 45.760 -6.279 6.219 1.00 31.73 H new ATOM 0 HB3 TRP B 110 46.054 -7.746 5.780 1.00 31.73 H new ATOM 0 HD1 TRP B 110 46.410 -8.164 3.177 1.00 34.61 H new ATOM 0 HE1 TRP B 110 46.883 -6.728 1.326 1.00 30.67 H new ATOM 0 HE3 TRP B 110 45.779 -3.840 5.343 1.00 41.13 H new ATOM 0 HZ2 TRP B 110 46.920 -4.004 0.811 1.00 42.01 H new ATOM 0 HZ3 TRP B 110 45.909 -1.894 4.094 1.00 45.34 H new ATOM 0 HH2 TRP B 110 46.466 -1.969 1.859 1.00 46.42 H new ATOM 1832 N LYS B 111 42.872 -5.962 3.869 1.00 28.66 N ATOM 1833 CA LYS B 111 42.251 -4.707 3.479 1.00 28.60 C ATOM 1834 C LYS B 111 40.769 -4.837 3.326 1.00 29.84 C ATOM 1835 O LYS B 111 40.157 -3.994 2.648 1.00 33.94 O ATOM 1836 CB LYS B 111 42.809 -4.251 2.111 1.00 38.94 C ATOM 1837 CG LYS B 111 42.818 -5.369 1.062 1.00 41.02 C ATOM 1838 CD LYS B 111 43.569 -5.006 -0.214 1.00 60.69 C ATOM 1839 CE LYS B 111 43.904 -6.214 -1.073 0.00 71.93 C ATOM 1840 NZ LYS B 111 44.625 -5.861 -2.305 0.00 81.36 N ATOM 0 H LYS B 111 42.909 -6.585 3.277 1.00 28.66 H new ATOM 0 HA LYS B 111 42.449 -4.067 4.181 1.00 28.60 H new ATOM 0 HB2 LYS B 111 42.277 -3.510 1.781 1.00 38.94 H new ATOM 0 HB3 LYS B 111 43.713 -3.920 2.231 1.00 38.94 H new ATOM 0 HG2 LYS B 111 43.220 -6.162 1.450 1.00 41.02 H new ATOM 0 HG3 LYS B 111 41.903 -5.596 0.835 1.00 41.02 H new ATOM 0 HD2 LYS B 111 43.033 -4.386 -0.733 1.00 60.69 H new ATOM 0 HD3 LYS B 111 44.390 -4.545 0.020 1.00 60.69 H new ATOM 0 HE2 LYS B 111 44.442 -6.833 -0.556 0.00 71.93 H new ATOM 0 HE3 LYS B 111 43.084 -6.677 -1.306 0.00 71.93 H new ATOM 0 HZ1 LYS B 111 44.797 -6.600 -2.771 0.00 81.36 H new ATOM 0 HZ2 LYS B 111 44.125 -5.312 -2.795 0.00 81.36 H new ATOM 0 HZ3 LYS B 111 45.390 -5.458 -2.096 0.00 81.36 H new ATOM 1841 N ALA B 112 40.178 -5.872 3.909 1.00 25.81 N ATOM 1842 CA ALA B 112 38.725 -6.136 3.667 1.00 27.90 C ATOM 1843 C ALA B 112 37.672 -5.512 4.607 1.00 25.61 C ATOM 1844 O ALA B 112 36.448 -5.669 4.384 1.00 26.90 O ATOM 1845 CB ALA B 112 38.533 -7.670 3.613 1.00 28.69 C ATOM 0 H ALA B 112 40.569 -6.429 4.435 1.00 25.81 H new ATOM 0 HA ALA B 112 38.539 -5.672 2.836 1.00 27.90 H new ATOM 0 HB1 ALA B 112 37.598 -7.874 3.457 1.00 28.69 H new ATOM 0 HB2 ALA B 112 39.068 -8.038 2.893 1.00 28.69 H new ATOM 0 HB3 ALA B 112 38.812 -8.061 4.456 1.00 28.69 H new ATOM 1846 N THR B 113 38.159 -4.853 5.674 1.00 25.69 N ATOM 1847 CA THR B 113 37.314 -4.304 6.740 1.00 25.14 C ATOM 1848 C THR B 113 37.267 -2.767 6.888 1.00 28.47 C ATOM 1849 O THR B 113 38.260 -2.116 7.156 1.00 29.57 O ATOM 1850 CB THR B 113 37.601 -5.095 8.068 1.00 23.05 C ATOM 1851 OG1 THR B 113 37.518 -6.475 7.767 1.00 22.31 O ATOM 1852 CG2 THR B 113 36.560 -4.834 9.141 1.00 17.75 C ATOM 0 H THR B 113 38.999 -4.714 5.795 1.00 25.69 H new ATOM 0 HA THR B 113 36.394 -4.452 6.470 1.00 25.14 H new ATOM 0 HB THR B 113 38.469 -4.814 8.396 1.00 23.05 H new ATOM 0 HG1 THR B 113 38.291 -6.787 7.667 1.00 22.31 H new ATOM 0 HG21 THR B 113 36.781 -5.343 9.937 1.00 17.75 H new ATOM 0 HG22 THR B 113 36.546 -3.888 9.356 1.00 17.75 H new ATOM 0 HG23 THR B 113 35.686 -5.104 8.817 1.00 17.75 H new ATOM 1853 N ARG B 114 36.048 -2.192 6.755 1.00 24.89 N ATOM 1854 CA ARG B 114 35.852 -0.784 6.991 1.00 24.95 C ATOM 1855 C ARG B 114 35.096 -0.600 8.282 1.00 25.64 C ATOM 1856 O ARG B 114 34.329 -1.470 8.697 1.00 23.41 O ATOM 1857 CB ARG B 114 35.045 -0.145 5.872 1.00 27.64 C ATOM 1858 CG ARG B 114 35.926 0.296 4.713 1.00 33.46 C ATOM 1859 CD ARG B 114 35.072 0.573 3.486 1.00 34.50 C ATOM 1860 NE ARG B 114 35.542 -0.285 2.450 1.00 65.59 N ATOM 1861 CZ ARG B 114 35.652 0.120 1.238 1.00 76.37 C ATOM 1862 NH1 ARG B 114 35.291 1.332 0.914 1.00 56.33 N ATOM 1863 NH2 ARG B 114 36.107 -0.714 0.333 1.00100.00 N ATOM 0 H ARG B 114 35.336 -2.618 6.528 1.00 24.89 H new ATOM 0 HA ARG B 114 36.724 -0.361 7.033 1.00 24.95 H new ATOM 0 HB2 ARG B 114 34.382 -0.776 5.551 1.00 27.64 H new ATOM 0 HB3 ARG B 114 34.562 0.621 6.220 1.00 27.64 H new ATOM 0 HG2 ARG B 114 36.421 1.093 4.958 1.00 33.46 H new ATOM 0 HG3 ARG B 114 36.579 -0.393 4.513 1.00 33.46 H new ATOM 0 HD2 ARG B 114 34.136 0.403 3.674 1.00 34.50 H new ATOM 0 HD3 ARG B 114 35.144 1.503 3.220 1.00 34.50 H new ATOM 0 HE ARG B 114 35.757 -1.095 2.642 1.00 65.59 H new ATOM 0 HH11 ARG B 114 34.978 1.862 1.514 1.00 56.33 H new ATOM 0 HH12 ARG B 114 35.366 1.600 0.100 1.00 56.33 H new ATOM 0 HH21 ARG B 114 36.325 -1.515 0.557 1.00100.00 H new ATOM 0 HH22 ARG B 114 36.187 -0.460 -0.485 1.00100.00 H new ATOM 1864 N VAL B 115 35.249 0.568 8.852 1.00 20.34 N ATOM 1865 CA VAL B 115 34.583 0.864 10.105 1.00 20.30 C ATOM 1866 C VAL B 115 34.011 2.270 10.119 1.00 27.29 C ATOM 1867 O VAL B 115 34.611 3.166 9.544 1.00 25.52 O ATOM 1868 CB VAL B 115 35.623 0.680 11.236 1.00 27.96 C ATOM 1869 CG1 VAL B 115 36.850 1.580 10.948 1.00 24.02 C ATOM 1870 CG2 VAL B 115 35.047 0.969 12.662 1.00 27.86 C ATOM 0 H VAL B 115 35.731 1.206 8.536 1.00 20.34 H new ATOM 0 HA VAL B 115 33.831 0.263 10.229 1.00 20.30 H new ATOM 0 HB VAL B 115 35.885 -0.254 11.242 1.00 27.96 H new ATOM 0 HG11 VAL B 115 37.506 1.469 11.654 1.00 24.02 H new ATOM 0 HG12 VAL B 115 37.244 1.328 10.098 1.00 24.02 H new ATOM 0 HG13 VAL B 115 36.569 2.508 10.911 1.00 24.02 H new ATOM 0 HG21 VAL B 115 35.743 0.837 13.325 1.00 27.86 H new ATOM 0 HG22 VAL B 115 34.730 1.885 12.704 1.00 27.86 H new ATOM 0 HG23 VAL B 115 34.310 0.364 12.842 1.00 27.86 H new ATOM 1871 N GLY B 116 32.856 2.479 10.779 1.00 29.92 N ATOM 1872 CA GLY B 116 32.199 3.791 10.876 1.00 28.88 C ATOM 1873 C GLY B 116 31.130 3.860 11.991 1.00 35.37 C ATOM 1874 O GLY B 116 30.994 2.997 12.870 1.00 29.91 O ATOM 0 H GLY B 116 32.431 1.852 11.186 1.00 29.92 H new ATOM 0 HA2 GLY B 116 32.871 4.471 11.039 1.00 28.88 H new ATOM 0 HA3 GLY B 116 31.784 4.001 10.025 1.00 28.88 H new ATOM 1875 N ILE B 117 30.319 4.889 11.937 1.00 35.53 N ATOM 1876 CA ILE B 117 29.291 5.176 12.980 1.00 34.84 C ATOM 1877 C ILE B 117 27.968 5.424 12.333 1.00 34.08 C ATOM 1878 O ILE B 117 27.944 5.758 11.177 1.00 32.72 O ATOM 1879 CB ILE B 117 29.725 6.500 13.728 1.00 35.79 C ATOM 1880 CG1 ILE B 117 29.972 6.335 15.173 1.00 39.65 C ATOM 1881 CG2 ILE B 117 29.202 7.906 13.354 1.00 25.98 C ATOM 1882 CD1 ILE B 117 31.241 5.536 15.401 1.00 56.75 C ATOM 0 H ILE B 117 30.330 5.463 11.296 1.00 35.53 H new ATOM 0 HA ILE B 117 29.219 4.425 13.590 1.00 34.84 H new ATOM 0 HB ILE B 117 30.556 6.574 13.234 1.00 35.79 H new ATOM 0 HG12 ILE B 117 30.049 7.205 15.596 1.00 39.65 H new ATOM 0 HG13 ILE B 117 29.219 5.884 15.587 1.00 39.65 H new ATOM 0 HG21 ILE B 117 29.600 8.567 13.942 1.00 25.98 H new ATOM 0 HG22 ILE B 117 29.441 8.106 12.435 1.00 25.98 H new ATOM 0 HG23 ILE B 117 28.237 7.928 13.449 1.00 25.98 H new ATOM 0 HD11 ILE B 117 31.393 5.434 16.354 1.00 56.75 H new ATOM 0 HD12 ILE B 117 31.150 4.661 14.993 1.00 56.75 H new ATOM 0 HD13 ILE B 117 31.993 6.002 15.002 1.00 56.75 H new ATOM 1883 N ASN B 118 26.900 5.325 13.088 1.00 30.83 N ATOM 1884 CA ASN B 118 25.603 5.667 12.590 1.00 28.53 C ATOM 1885 C ASN B 118 24.759 6.020 13.802 1.00 31.59 C ATOM 1886 O ASN B 118 24.834 5.327 14.789 1.00 26.85 O ATOM 1887 CB ASN B 118 24.909 4.550 11.792 1.00 32.04 C ATOM 1888 CG ASN B 118 25.072 4.722 10.311 1.00 39.19 C ATOM 1889 OD1 ASN B 118 24.955 5.839 9.803 1.00 47.44 O ATOM 1890 ND2 ASN B 118 25.533 3.678 9.632 1.00 36.11 N ATOM 0 H ASN B 118 26.910 5.057 13.905 1.00 30.83 H new ATOM 0 HA ASN B 118 25.704 6.400 11.962 1.00 28.53 H new ATOM 0 HB2 ASN B 118 25.274 3.691 12.058 1.00 32.04 H new ATOM 0 HB3 ASN B 118 23.964 4.537 12.012 1.00 32.04 H new ATOM 0 HD21 ASN B 118 25.762 3.768 8.808 1.00 36.11 H new ATOM 0 HD22 ASN B 118 25.602 2.912 10.016 1.00 36.11 H new ATOM 1891 N ILE B 119 24.019 7.113 13.670 1.00 28.92 N ATOM 1892 CA ILE B 119 23.063 7.622 14.627 1.00 28.50 C ATOM 1893 C ILE B 119 21.623 7.508 14.141 1.00 31.06 C ATOM 1894 O ILE B 119 21.287 8.066 13.107 1.00 30.90 O ATOM 1895 CB ILE B 119 23.369 9.033 15.098 1.00 31.76 C ATOM 1896 CG1 ILE B 119 24.792 9.023 15.630 1.00 33.35 C ATOM 1897 CG2 ILE B 119 22.404 9.354 16.281 1.00 32.15 C ATOM 1898 CD1 ILE B 119 25.239 10.427 15.995 1.00 46.61 C ATOM 0 H ILE B 119 24.070 7.608 12.968 1.00 28.92 H new ATOM 0 HA ILE B 119 23.157 7.044 15.400 1.00 28.50 H new ATOM 0 HB ILE B 119 23.265 9.684 14.386 1.00 31.76 H new ATOM 0 HG12 ILE B 119 24.847 8.448 16.410 1.00 33.35 H new ATOM 0 HG13 ILE B 119 25.389 8.652 14.962 1.00 33.35 H new ATOM 0 HG21 ILE B 119 22.576 10.252 16.605 1.00 32.15 H new ATOM 0 HG22 ILE B 119 21.485 9.291 15.976 1.00 32.15 H new ATOM 0 HG23 ILE B 119 22.550 8.719 16.999 1.00 32.15 H new ATOM 0 HD11 ILE B 119 26.148 10.400 16.332 1.00 46.61 H new ATOM 0 HD12 ILE B 119 25.203 10.993 15.208 1.00 46.61 H new ATOM 0 HD13 ILE B 119 24.652 10.786 16.678 1.00 46.61 H new ATOM 1899 N PHE B 120 20.784 6.781 14.878 1.00 28.93 N ATOM 1900 CA PHE B 120 19.380 6.534 14.523 1.00 29.66 C ATOM 1901 C PHE B 120 18.385 7.228 15.458 1.00 33.29 C ATOM 1902 O PHE B 120 18.524 7.267 16.681 1.00 34.89 O ATOM 1903 CB PHE B 120 19.006 5.030 14.538 1.00 31.78 C ATOM 1904 CG PHE B 120 19.756 4.207 13.523 1.00 34.37 C ATOM 1905 CD1 PHE B 120 21.010 3.671 13.839 1.00 34.37 C ATOM 1906 CD2 PHE B 120 19.255 4.037 12.226 1.00 33.18 C ATOM 1907 CE1 PHE B 120 21.700 2.909 12.893 1.00 37.03 C ATOM 1908 CE2 PHE B 120 19.943 3.289 11.266 1.00 38.26 C ATOM 1909 CZ PHE B 120 21.173 2.714 11.610 1.00 35.96 C ATOM 0 H PHE B 120 21.018 6.408 15.616 1.00 28.93 H new ATOM 0 HA PHE B 120 19.313 6.897 13.626 1.00 29.66 H new ATOM 0 HB2 PHE B 120 19.177 4.672 15.423 1.00 31.78 H new ATOM 0 HB3 PHE B 120 18.054 4.940 14.375 1.00 31.78 H new ATOM 0 HD1 PHE B 120 21.383 3.822 14.677 1.00 34.37 H new ATOM 0 HD2 PHE B 120 18.444 4.432 11.998 1.00 33.18 H new ATOM 0 HE1 PHE B 120 22.518 2.527 13.117 1.00 37.03 H new ATOM 0 HE2 PHE B 120 19.590 3.175 10.413 1.00 38.26 H new ATOM 0 HZ PHE B 120 21.639 2.204 10.988 1.00 35.96 H new ATOM 1910 N THR B 121 17.351 7.723 14.828 1.00 24.68 N ATOM 1911 CA THR B 121 16.301 8.409 15.471 1.00 26.57 C ATOM 1912 C THR B 121 15.026 7.821 14.970 1.00 33.75 C ATOM 1913 O THR B 121 14.921 7.318 13.874 1.00 32.81 O ATOM 1914 CB THR B 121 16.312 9.952 15.274 1.00 34.17 C ATOM 1915 OG1 THR B 121 16.621 10.256 13.933 1.00 51.29 O ATOM 1916 CG2 THR B 121 17.390 10.549 16.157 1.00 41.47 C ATOM 0 H THR B 121 17.248 7.660 13.977 1.00 24.68 H new ATOM 0 HA THR B 121 16.409 8.294 16.428 1.00 26.57 H new ATOM 0 HB THR B 121 15.441 10.313 15.503 1.00 34.17 H new ATOM 0 HG1 THR B 121 16.625 11.089 13.828 1.00 51.29 H new ATOM 0 HG21 THR B 121 17.406 11.512 16.042 1.00 41.47 H new ATOM 0 HG22 THR B 121 17.202 10.337 17.085 1.00 41.47 H new ATOM 0 HG23 THR B 121 18.252 10.180 15.910 1.00 41.47 H new ATOM 1917 N ARG B 122 14.071 7.864 15.861 1.00 35.36 N ATOM 1918 CA ARG B 122 12.742 7.379 15.654 1.00 37.05 C ATOM 1919 C ARG B 122 12.091 8.180 14.548 1.00 43.66 C ATOM 1920 O ARG B 122 12.256 9.392 14.369 1.00 42.79 O ATOM 1921 CB ARG B 122 12.056 7.579 16.964 1.00 44.13 C ATOM 1922 CG ARG B 122 10.901 6.683 17.208 1.00 41.32 C ATOM 1923 CD ARG B 122 11.391 5.331 17.494 1.00 54.11 C ATOM 1924 NE ARG B 122 11.117 4.905 18.847 1.00 50.21 N ATOM 1925 CZ ARG B 122 11.044 3.595 18.978 1.00 56.22 C ATOM 1926 NH1 ARG B 122 11.159 2.859 17.878 1.00 46.91 N ATOM 1927 NH2 ARG B 122 10.901 3.007 20.161 1.00 39.15 N ATOM 0 H ARG B 122 14.188 8.195 16.646 1.00 35.36 H new ATOM 0 HA ARG B 122 12.705 6.448 15.383 1.00 37.05 H new ATOM 0 HB2 ARG B 122 12.703 7.452 17.676 1.00 44.13 H new ATOM 0 HB3 ARG B 122 11.752 8.499 17.018 1.00 44.13 H new ATOM 0 HG2 ARG B 122 10.374 7.012 17.953 1.00 41.32 H new ATOM 0 HG3 ARG B 122 10.318 6.670 16.433 1.00 41.32 H new ATOM 0 HD2 ARG B 122 10.982 4.707 16.875 1.00 54.11 H new ATOM 0 HD3 ARG B 122 12.348 5.300 17.338 1.00 54.11 H new ATOM 0 HE ARG B 122 11.012 5.452 19.502 1.00 50.21 H new ATOM 0 HH11 ARG B 122 11.276 3.240 17.116 1.00 46.91 H new ATOM 0 HH12 ARG B 122 11.116 2.002 17.928 1.00 46.91 H new ATOM 0 HH21 ARG B 122 10.853 3.484 20.875 1.00 39.15 H new ATOM 0 HH22 ARG B 122 10.857 2.150 20.212 1.00 39.15 H new ATOM 1928 N LEU B 123 11.411 7.457 13.719 1.00 47.00 N ATOM 1929 CA LEU B 123 10.710 8.039 12.596 1.00 49.41 C ATOM 1930 C LEU B 123 9.183 7.899 12.803 1.00 59.81 C ATOM 1931 O LEU B 123 8.446 8.872 12.623 1.00 67.84 O ATOM 1932 CB LEU B 123 11.318 7.432 11.332 1.00 48.95 C ATOM 1933 CG LEU B 123 10.508 7.548 10.098 1.00 52.56 C ATOM 1934 CD1 LEU B 123 11.220 8.505 9.148 1.00 53.63 C ATOM 1935 CD2 LEU B 123 10.549 6.147 9.535 1.00 57.68 C ATOM 0 H LEU B 123 11.333 6.603 13.781 1.00 47.00 H new ATOM 0 HA LEU B 123 10.822 8.998 12.506 1.00 49.41 H new ATOM 0 HB2 LEU B 123 12.177 7.854 11.174 1.00 48.95 H new ATOM 0 HB3 LEU B 123 11.490 6.492 11.497 1.00 48.95 H new ATOM 0 HG LEU B 123 9.606 7.876 10.239 1.00 52.56 H new ATOM 0 HD11 LEU B 123 10.704 8.595 8.332 1.00 53.63 H new ATOM 0 HD12 LEU B 123 11.309 9.374 9.570 1.00 53.63 H new ATOM 0 HD13 LEU B 123 12.100 8.156 8.937 1.00 53.63 H new ATOM 0 HD21 LEU B 123 10.039 6.114 8.711 1.00 57.68 H new ATOM 0 HD22 LEU B 123 11.469 5.897 9.356 1.00 57.68 H new ATOM 0 HD23 LEU B 123 10.166 5.529 10.177 1.00 57.68 H new ATOM 1936 N ARG B 124 8.749 6.719 13.310 1.00 56.35 N ATOM 1937 CA ARG B 124 7.382 6.367 13.625 0.00 56.26 C ATOM 1938 C ARG B 124 6.792 7.316 14.652 0.00 60.34 C ATOM 1939 O ARG B 124 6.440 6.919 15.762 0.00 59.91 O ATOM 1940 CB ARG B 124 7.332 4.938 14.155 0.00 56.62 C ATOM 1941 CG ARG B 124 8.697 4.436 14.625 0.00 67.32 C ATOM 1942 CD ARG B 124 8.731 4.060 16.103 0.00 77.46 C ATOM 1943 NE ARG B 124 8.099 2.774 16.378 0.00 85.99 N ATOM 1944 CZ ARG B 124 7.214 2.576 17.351 0.00100.00 C ATOM 1945 NH1 ARG B 124 6.833 3.555 18.165 0.00 87.46 N ATOM 1946 NH2 ARG B 124 6.697 1.362 17.516 0.00 86.86 N ATOM 0 H ARG B 124 9.295 6.078 13.482 1.00 56.35 H new ATOM 0 HA ARG B 124 6.855 6.436 12.814 0.00 56.26 H new ATOM 0 HB2 ARG B 124 6.703 4.892 14.892 0.00 56.62 H new ATOM 0 HB3 ARG B 124 6.997 4.350 13.460 0.00 56.62 H new ATOM 0 HG2 ARG B 124 8.949 3.663 14.096 0.00 67.32 H new ATOM 0 HG3 ARG B 124 9.361 5.123 14.458 0.00 67.32 H new ATOM 0 HD2 ARG B 124 9.653 4.033 16.404 0.00 77.46 H new ATOM 0 HD3 ARG B 124 8.285 4.751 16.618 0.00 77.46 H new ATOM 0 HE ARG B 124 8.311 2.105 15.882 0.00 85.99 H new ATOM 0 HH11 ARG B 124 7.161 4.345 18.071 0.00 87.46 H new ATOM 0 HH12 ARG B 124 6.259 3.399 18.786 0.00 87.46 H new ATOM 0 HH21 ARG B 124 6.936 0.719 16.998 0.00 86.86 H new ATOM 0 HH22 ARG B 124 6.124 1.220 18.141 0.00 86.86 H new ATOM 1947 N THR B 125 6.694 8.584 14.268 0.00 56.93 N ATOM 1948 CA THR B 125 6.155 9.606 15.139 0.00 59.43 C ATOM 1949 C THR B 125 4.635 9.605 15.139 0.00 70.45 C ATOM 1950 O THR B 125 4.048 10.303 14.284 0.00 71.79 O ATOM 1951 CB THR B 125 6.708 11.001 14.792 0.00 67.60 C ATOM 1952 OG1 THR B 125 8.097 11.050 15.055 0.00 67.21 O ATOM 1953 CG2 THR B 125 5.985 12.066 15.608 0.00 66.23 C ATOM 0 H THR B 125 6.939 8.871 13.495 0.00 56.93 H new ATOM 0 HA THR B 125 6.447 9.390 16.038 0.00 59.43 H new ATOM 0 HB THR B 125 6.560 11.173 13.849 0.00 67.60 H new ATOM 0 HG1 THR B 125 8.392 11.812 14.862 0.00 67.21 H new ATOM 0 HG21 THR B 125 6.339 12.941 15.384 0.00 66.23 H new ATOM 0 HG22 THR B 125 5.037 12.040 15.407 0.00 66.23 H new ATOM 0 HG23 THR B 125 6.119 11.896 16.554 0.00 66.23 H new TER 1954 THR B 125 HETATM 1955 O HOH A 402 41.588 2.179 25.092 1.00 24.32 O HETATM 1956 O HOH A 403 53.684 22.968 12.914 1.00 33.26 O HETATM 1957 O HOH A 405 33.511 5.627 20.375 1.00 31.97 O HETATM 1958 O HOH A 406 44.537 -4.072 20.974 1.00 22.09 O HETATM 1959 O HOH A 407 40.534 -3.788 22.290 1.00 21.08 O HETATM 1960 O HOH A 412 52.834 8.531 22.634 1.00 27.56 O HETATM 1961 O HOH A 418 46.750 3.648 29.798 1.00 33.60 O HETATM 1962 O HOH A 419 53.801 11.067 27.308 1.00 35.21 O HETATM 1963 O HOH A 422 52.914 3.870 28.117 1.00 26.15 O HETATM 1964 O HOH A 428 46.900 -4.719 19.753 1.00 36.02 O HETATM 1965 O HOH A 429 35.162 25.514 10.352 1.00 42.77 O HETATM 1966 O HOH A 439 32.944 8.343 18.897 1.00 52.58 O HETATM 1967 O HOH A 441 53.504 21.030 21.523 1.00 36.42 O HETATM 1968 O HOH A 442 53.663 27.835 13.811 1.00 36.55 O HETATM 1969 O HOH A 444 46.682 -1.086 19.694 1.00 33.73 O HETATM 1970 O HOH A 448 45.560 17.285 27.401 1.00 46.66 O HETATM 1971 O HOH A 451 47.622 15.748 -1.336 1.00 43.39 O HETATM 1972 O HOH A 457 54.187 -8.662 28.750 1.00 47.02 O HETATM 1973 O HOH A 458 53.455 15.456 2.821 1.00 43.06 O HETATM 1974 O HOH A 461 45.858 -10.323 23.839 1.00 54.38 O HETATM 1975 O HOH A 464 50.212 25.103 20.522 1.00 60.05 O HETATM 1976 O HOH A 465 42.950 4.650 28.354 1.00 71.82 O HETATM 1977 O HOH A 468 47.268 22.910 6.080 1.00 46.35 O HETATM 1978 O HOH A 480 31.483 23.480 19.663 1.00 74.15 O HETATM 1979 O HOH A 484 38.731 14.244 22.010 1.00 62.03 O HETATM 1980 O HOH A 489 43.309 7.495 28.654 1.00 59.00 O HETATM 1981 O HOH A 494 38.789 28.452 2.433 1.00 81.19 O HETATM 1982 O HOH A 498 34.910 22.399 22.067 1.00 61.19 O HETATM 1983 O HOH A 501 34.389 11.218 11.569 1.00 63.98 O HETATM 1984 O HOH A 507 42.968 26.162 20.383 1.00 63.94 O HETATM 1985 O HOH A 508 48.594 18.773 0.784 1.00 54.89 O HETATM 1986 O HOH A 509 36.435 27.495 7.624 1.00 61.68 O HETATM 1987 O HOH A 512 31.317 21.171 21.469 1.00 50.66 O HETATM 1988 O HOH A 513 52.460 14.635 -6.027 1.00 52.15 O HETATM 1989 O HOH A 514 48.499 28.312 14.573 1.00 56.57 O HETATM 1990 O HOH A 519 51.814 21.359 23.380 1.00 60.55 O HETATM 1991 O HOH A 520 47.385 -11.855 30.986 1.00 60.06 O HETATM 1992 O HOH A 541 40.752 17.573 -2.476 1.00 74.42 O HETATM 1993 O HOH A 546 36.104 28.525 4.080 1.00 59.97 O HETATM 1994 O HOH A 548 48.739 -11.204 23.276 1.00 57.78 O HETATM 1995 O HOH A 550 48.047 5.150 33.450 1.00100.00 O HETATM 1996 O HOH B 408 42.103 -5.754 8.403 1.00 35.61 O HETATM 1997 O HOH B 410 34.830 -3.144 3.228 1.00 29.07 O HETATM 1998 O HOH B 411 23.339 -11.063 14.095 1.00 29.00 O HETATM 1999 O HOH B 414 29.771 -13.549 0.330 1.00 33.42 O HETATM 2000 O HOH B 415 39.987 -7.543 7.392 1.00 24.51 O HETATM 2001 O HOH B 416 31.808 -7.407 -1.330 1.00 44.43 O HETATM 2002 O HOH B 417 13.600 -2.983 22.917 1.00 52.60 O HETATM 2003 O HOH B 420 40.155 -10.127 9.022 1.00 36.27 O HETATM 2004 O HOH B 423 36.620 -8.910 9.052 1.00 26.66 O HETATM 2005 O HOH B 424 11.335 -9.617 15.444 1.00 38.49 O HETATM 2006 O HOH B 430 27.799 5.824 17.280 1.00 51.95 O HETATM 2007 O HOH B 432 13.903 9.153 18.404 1.00 41.10 O HETATM 2008 O HOH B 433 31.629 7.014 9.897 1.00 44.59 O HETATM 2009 O HOH B 437 23.010 -12.421 1.254 1.00 33.37 O HETATM 2010 O HOH B 440 18.117 -19.334 21.271 1.00 70.05 O HETATM 2011 O HOH B 445 40.807 -3.293 6.242 1.00 40.42 O HETATM 2012 O HOH B 446 25.416 -12.026 5.860 1.00 32.72 O HETATM 2013 O HOH B 450 11.512 9.196 20.467 1.00 39.34 O HETATM 2014 O HOH B 452 27.278 -0.859 5.793 1.00 55.70 O HETATM 2015 O HOH B 453 19.928 2.017 31.492 1.00 50.17 O HETATM 2016 O HOH B 459 16.851 -5.548 27.479 1.00 48.21 O HETATM 2017 O HOH B 460 20.170 -5.150 29.880 1.00 39.01 O HETATM 2018 O HOH B 462 18.418 -13.737 5.907 1.00 46.38 O HETATM 2019 O HOH B 463 19.044 -16.550 22.083 1.00 37.36 O HETATM 2020 O HOH B 470 18.344 -6.371 -4.431 1.00 55.71 O HETATM 2021 O HOH B 472 19.083 -2.628 1.632 1.00 53.23 O HETATM 2022 O HOH B 473 45.959 -10.643 4.605 1.00 52.21 O HETATM 2023 O HOH B 474 18.623 -10.976 25.674 1.00 41.50 O HETATM 2024 O HOH B 492 23.909 2.925 6.025 1.00 62.52 O HETATM 2025 O HOH B 493 33.696 -14.119 -0.933 1.00 60.62 O HETATM 2026 O HOH B 500 29.600 -7.995 -4.023 1.00 50.21 O HETATM 2027 O HOH B 502 22.830 1.552 31.109 1.00 50.55 O HETATM 2028 O HOH B 511 19.235 -14.563 23.200 1.00 56.68 O HETATM 2029 O HOH B 531 24.955 1.252 3.836 1.00 70.30 O HETATM 2030 O HOH B 545 20.436 10.469 12.631 1.00 50.19 O HETATM 2031 O HOH B 547 37.482 -2.656 2.435 1.00 53.05 O HETATM 2032 O HOH B 549 13.485 -9.738 6.986 1.00 70.96 O HETATM 2033 O HOH B 551 16.093 -3.950 29.545 1.00 68.31 O HETATM 2034 O HOH B 552 46.633 -7.614 -0.864 1.00 62.22 O CONECT 26 629 CONECT 629 26 CONECT 1003 1606 CONECT 1606 1003 END