USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER LIPID BINDING PROTEIN 09-JUL-03 1PZ4 TITLE THE STRUCTURAL DETERMINATION OF AN INSECT (MOSQUITO) STEROL TITLE 2 CARRIER PROTEIN-2 WITH A LIGAND BOUND C16 FATTY ACID AT TITLE 3 1.35 A RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: STEROL CARRIER PROTEIN 2; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AEDES AEGYPTI; SOURCE 3 ORGANISM_COMMON: YELLOW FEVER MOSQUITO; SOURCE 4 ORGANISM_TAXID: 7159; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PGEX-4T-2 GST KEYWDS ALPHA AND BETA, LIPID BINDING PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR D.H.DYER,S.LOVELL,J.B.THODEN,H.M.HOLDEN,I.RAYMENT,Q.LAN REVDAT 3 24-FEB-09 1PZ4 1 VERSN REVDAT 2 14-OCT-03 1PZ4 1 JRNL REVDAT 1 30-SEP-03 1PZ4 0 JRNL AUTH D.H.DYER,S.LOVELL,J.B.THODEN,H.M.HOLDEN,I.RAYMENT, JRNL AUTH 2 Q.LAN JRNL TITL THE STRUCTURAL DETERMINATION OF AN INSECT STEROL JRNL TITL 2 CARRIER PROTEIN-2 WITH A LIGAND-BOUND C16 FATTY JRNL TITL 3 ACID AT 1.35A RESOLUTION JRNL REF J.BIOL.CHEM. V. 278 39085 2003 JRNL REFN ISSN 0021-9258 JRNL PMID 12855689 JRNL DOI 10.1074/JBC.M306214200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.35 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.35 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 100.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 3 NUMBER OF REFLECTIONS : 21157 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.187 REMARK 3 R VALUE (WORKING SET) : 0.187 REMARK 3 FREE R VALUE : 0.226 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 2107 REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL 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) : 21157 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 890 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 18 REMARK 3 SOLVENT ATOMS : 88 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) : 0.012 ; NULL ; NULL REMARK 3 BOND ANGLES (DEGREES) : 2.230 ; NULL ; NULL REMARK 3 TORSION ANGLES (DEGREES) : 16.600; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES (A) : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS (A) : NULL ; NULL ; NULL REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : ENGH & HUBER REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1PZ4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUL-03. REMARK 100 THE RCSB ID CODE IS RCSB019715. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : 7.5 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 RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54178 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : BRUKER X1000 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : SMART REMARK 200 DATA SCALING SOFTWARE : SAINT REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 21157 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.350 REMARK 200 RESOLUTION RANGE LOW (A) : 100.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 97.0 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : 0.03800 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.35 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.41 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.30 REMARK 200 R MERGE FOR SHELL (I) : 0.25200 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 3.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: EPMR REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 33.46 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.85 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2M SODIUM MALONATE, 100 MM TRIS- REMARK 280 HCL, PH 7.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 14.65000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 35.20000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 23.05000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 35.20000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 14.65000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 23.05000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A -5 REMARK 465 SER A -4 REMARK 465 PRO A -3 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 83 CD GLU A 83 OE2 0.078 REMARK 500 GLU A 91 CD GLU A 91 OE2 0.067 REMARK 500 GLU A 103 CD GLU A 103 OE2 0.069 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 ARG A 15 NE - CZ - NH1 ANGL. DEV. = 3.9 DEGREES REMARK 500 ARG A 15 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES REMARK 500 ASP A 20 CB - CG - OD1 ANGL. DEV. = 6.7 DEGREES REMARK 500 ASP A 20 CB - CG - OD2 ANGL. DEV. = -8.7 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 4.2 DEGREES REMARK 500 ASN A 43 CB - CA - C ANGL. DEV. = -12.3 DEGREES REMARK 500 ASP A 47 CB - CG - OD1 ANGL. DEV. = 8.9 DEGREES REMARK 500 ASP A 47 CB - CG - OD2 ANGL. DEV. = -6.8 DEGREES REMARK 500 ASP A 57 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ASP A 58 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 ASP A 68 CB - CG - OD2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ASP A 88 CB - CG - OD2 ANGL. DEV. = -5.5 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 GLU A 27 71.66 -118.27 REMARK 500 VAL A 51 70.27 72.68 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE PLM A 200 DBREF 1PZ4 A 1 110 UNP Q86PR3 Q86PR3_AEDAE 1 110 SEQADV 1PZ4 GLY A -5 UNP Q86PR3 CLONING ARTIFACT SEQADV 1PZ4 SER A -4 UNP Q86PR3 CLONING ARTIFACT SEQADV 1PZ4 PRO A -3 UNP Q86PR3 CLONING ARTIFACT SEQADV 1PZ4 GLY A -2 UNP Q86PR3 CLONING ARTIFACT SEQADV 1PZ4 ILE A -1 UNP Q86PR3 CLONING ARTIFACT SEQADV 1PZ4 ARG A 0 UNP Q86PR3 CLONING ARTIFACT SEQRES 1 A 116 GLY SER PRO GLY ILE ARG MET SER LEU LYS SER ASP GLU SEQRES 2 A 116 VAL PHE ALA LYS ILE ALA LYS ARG LEU GLU SER ILE ASP SEQRES 3 A 116 PRO ALA ASN ARG GLN VAL GLU HIS VAL TYR LYS PHE ARG SEQRES 4 A 116 ILE THR GLN GLY GLY LYS VAL VAL LYS ASN TRP VAL MET SEQRES 5 A 116 ASP LEU LYS ASN VAL LYS LEU VAL GLU SER ASP ASP ALA SEQRES 6 A 116 ALA GLU ALA THR LEU THR MET GLU ASP ASP ILE MET PHE SEQRES 7 A 116 ALA ILE GLY THR GLY ALA LEU PRO ALA LYS GLU ALA MET SEQRES 8 A 116 ALA GLN ASP LYS MET GLU VAL ASP GLY GLN VAL GLU LEU SEQRES 9 A 116 ILE PHE LEU LEU GLU PRO PHE ILE ALA SER LEU LYS HET PLM A 200 18 HETNAM PLM PALMITIC ACID FORMUL 2 PLM C16 H32 O2 FORMUL 3 HOH *88(H2 O) HELIX 1 1 LYS A 4 GLU A 17 1 14 HELIX 2 2 ASP A 68 THR A 76 1 9 HELIX 3 3 PRO A 80 GLN A 87 1 8 HELIX 4 4 VAL A 96 LEU A 109 5 14 SHEET 1 A 5 LYS A 52 GLU A 55 0 SHEET 2 A 5 LYS A 39 ASP A 47 -1 N VAL A 45 O VAL A 54 SHEET 3 A 5 VAL A 29 GLN A 36 -1 N TYR A 30 O MET A 46 SHEET 4 A 5 ALA A 62 GLU A 67 1 O LEU A 64 N LYS A 31 SHEET 5 A 5 MET A 90 GLY A 94 -1 O GLU A 91 N THR A 65 SITE *** AC1 7 ARG A 24 GLN A 25 VAL A 26 ILE A 99 SITE *** AC1 7 PHE A 105 HOH A 412 HOH A 422 CRYST1 29.300 46.100 70.400 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.034130 0.000000 0.000000 0.00000 SCALE2 0.000000 0.021692 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014205 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 200 PLM H : A 200 PLM O1 : A 200 PLM C1 :(short bond) USER MOD Set 1.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 36 GLN : amide:sc= 0.0821 X(o=0.082,f=0.042) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0.00626 (180deg=-0.0903) USER MOD Single : A 5 SER OG : rot -98:sc= 1.79 USER MOD Single : A -2 GLY N :NH3+ 174:sc= -0.131 (180deg=-0.373) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 0.172 (180deg=0.137) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG A: rot 59:sc= 0.493 USER MOD Single : A 18 SER OG B: rot 101:sc= 0.876 USER MOD Single : A 23 ASN : amide:sc= -0.042 X(o=-0.042,f=-0.29) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc= 0.126 K(o=0.13,f=-0.44) USER MOD Single : A 30 TYR OH : rot 165:sc= 1.16 USER MOD Single : A 31 LYS NZ :NH3+ -160:sc= 1.35 (180deg=1.24) USER MOD Single : A 35 THR OG1 : rot 89:sc= 2.23 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.157 (180deg=-0.52) USER MOD Single : A 42 LYS NZ :NH3+ 156:sc= 0.466 (180deg=0.237) USER MOD Single : A 43 ASN A: amide:sc= 0.372 X(o=0.37,f=0.6) USER MOD Single : A 43 ASN B: amide:sc= 0.412 K(o=0.41,f=-1.1!) USER MOD Single : A 46 MET CE :methyl 166:sc= -0.0149 (180deg=-0.181) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0.148 X(o=0.15,f=-0.12) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG A: rot -160:sc= -0.0177 USER MOD Single : A 56 SER OG B: rot 180:sc= -0.159 USER MOD Single : A 63 THR OG1 : rot 76:sc= 0.0737 USER MOD Single : A 65 THR OG1 : rot 95:sc= 1.17 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -79:sc= 0.504 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN :FLIP amide:sc= -0.0935 F(o=-0.77,f=-0.094) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 143:sc= -1.28 (180deg=-2.72!) USER MOD Single : A 95 GLN : amide:sc= 1.04 X(o=1,f=1.1) USER MOD Single : A 108 SER OG : rot -68:sc= 1.76 USER MOD Single : A 110 LYS NZ :NH3+ 165:sc= -0.34 (180deg=-0.858) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 2.700 44.949 65.749 1.00 73.37 N ATOM 2 CA GLY A -2 3.095 43.616 66.193 1.00 72.18 C ATOM 3 C GLY A -2 1.988 42.591 65.978 1.00 71.74 C ATOM 4 O GLY A -2 2.050 41.462 66.488 1.00 69.68 O ATOM 0 H1 GLY A -2 3.333 45.535 65.968 1.00 73.37 H new ATOM 0 H2 GLY A -2 2.591 44.948 64.866 1.00 73.37 H new ATOM 0 H3 GLY A -2 1.935 45.179 66.142 1.00 73.37 H new ATOM 0 HA2 GLY A -2 3.890 43.338 65.712 1.00 72.18 H new ATOM 0 HA3 GLY A -2 3.329 43.646 67.134 1.00 72.18 H new ATOM 5 N ILE A -1 1.011 43.051 65.192 1.00 66.07 N ATOM 6 CA ILE A -1 -0.174 42.347 64.760 1.00 64.80 C ATOM 7 C ILE A -1 0.182 41.006 64.060 1.00 63.43 C ATOM 8 O ILE A -1 -0.508 39.991 64.239 1.00 65.02 O ATOM 9 CB ILE A -1 -1.110 43.368 64.079 1.00 69.09 C ATOM 10 CG1 ILE A -1 -2.337 43.729 64.917 1.00 70.32 C ATOM 11 CG2 ILE A -1 -1.475 43.076 62.632 1.00 72.32 C ATOM 12 CD1 ILE A -1 -3.146 44.906 64.363 1.00 81.31 C ATOM 0 H ILE A -1 1.037 43.851 64.877 1.00 66.07 H new ATOM 0 HA ILE A -1 -0.716 41.997 65.485 1.00 64.80 H new ATOM 0 HB ILE A -1 -0.551 44.159 64.031 1.00 69.09 H new ATOM 0 HG12 ILE A -1 -2.915 42.952 64.979 1.00 70.32 H new ATOM 0 HG13 ILE A -1 -2.050 43.942 65.819 1.00 70.32 H new ATOM 0 HG21 ILE A -1 -2.063 43.772 62.299 1.00 72.32 H new ATOM 0 HG22 ILE A -1 -0.669 43.050 62.094 1.00 72.32 H new ATOM 0 HG23 ILE A -1 -1.927 42.219 62.579 1.00 72.32 H new ATOM 0 HD11 ILE A -1 -3.905 45.078 64.942 1.00 81.31 H new ATOM 0 HD12 ILE A -1 -2.584 45.696 64.324 1.00 81.31 H new ATOM 0 HD13 ILE A -1 -3.462 44.691 63.472 1.00 81.31 H new ATOM 13 N ARG A 0 1.298 40.960 63.302 1.00 52.74 N ATOM 14 CA ARG A 0 1.782 39.738 62.657 1.00 49.64 C ATOM 15 C ARG A 0 2.748 38.995 63.599 1.00 51.92 C ATOM 16 O ARG A 0 3.699 39.587 64.106 1.00 52.12 O ATOM 17 CB ARG A 0 2.455 40.017 61.326 1.00 46.92 C ATOM 18 CG ARG A 0 2.018 39.007 60.291 1.00 61.36 C ATOM 19 CD ARG A 0 2.702 39.176 58.940 1.00 72.24 C ATOM 20 NE ARG A 0 1.768 39.552 57.873 1.00 81.59 N ATOM 21 CZ ARG A 0 1.845 39.128 56.608 1.00100.00 C ATOM 22 NH1 ARG A 0 2.802 38.295 56.190 1.00 91.59 N ATOM 23 NH2 ARG A 0 0.938 39.555 55.730 1.00 88.33 N ATOM 0 H ARG A 0 1.793 41.648 63.152 1.00 52.74 H new ATOM 0 HA ARG A 0 1.010 39.179 62.475 1.00 49.64 H new ATOM 0 HB2 ARG A 0 2.233 40.912 61.026 1.00 46.92 H new ATOM 0 HB3 ARG A 0 3.419 39.984 61.431 1.00 46.92 H new ATOM 0 HG2 ARG A 0 2.198 38.115 60.626 1.00 61.36 H new ATOM 0 HG3 ARG A 0 1.058 39.076 60.169 1.00 61.36 H new ATOM 0 HD2 ARG A 0 3.392 39.854 59.014 1.00 72.24 H new ATOM 0 HD3 ARG A 0 3.144 38.347 58.700 1.00 72.24 H new ATOM 0 HE ARG A 0 1.124 40.084 58.076 1.00 81.59 H new ATOM 0 HH11 ARG A 0 3.397 38.012 56.742 1.00 91.59 H new ATOM 0 HH12 ARG A 0 2.823 38.041 55.368 1.00 91.59 H new ATOM 0 HH21 ARG A 0 0.317 40.094 55.981 1.00 88.33 H new ATOM 0 HH22 ARG A 0 0.974 39.291 54.912 1.00 88.33 H new ATOM 24 N MET A 1 2.515 37.706 63.867 1.00 46.41 N ATOM 25 CA MET A 1 3.360 36.948 64.774 1.00 46.66 C ATOM 26 C MET A 1 4.845 37.211 64.650 1.00 46.01 C ATOM 27 O MET A 1 5.424 37.094 63.587 1.00 44.96 O ATOM 28 CB MET A 1 3.076 35.449 64.762 1.00 50.75 C ATOM 29 CG MET A 1 2.909 34.885 66.169 1.00 57.47 C ATOM 30 SD MET A 1 3.422 33.160 66.177 1.00 65.95 S ATOM 31 CE MET A 1 2.539 32.332 67.534 1.00 63.44 C ATOM 0 H MET A 1 1.866 37.256 63.527 1.00 46.41 H new ATOM 0 HA MET A 1 3.100 37.297 65.641 1.00 46.66 H new ATOM 0 HB2 MET A 1 2.271 35.278 64.249 1.00 50.75 H new ATOM 0 HB3 MET A 1 3.802 34.987 64.314 1.00 50.75 H new ATOM 0 HG2 MET A 1 3.441 35.395 66.799 1.00 57.47 H new ATOM 0 HG3 MET A 1 1.984 34.960 66.452 1.00 57.47 H new ATOM 0 HE1 MET A 1 2.795 31.397 67.564 1.00 63.44 H new ATOM 0 HE2 MET A 1 2.767 32.757 68.376 1.00 63.44 H new ATOM 0 HE3 MET A 1 1.583 32.400 67.387 1.00 63.44 H new ATOM 32 N SER A 2 5.480 37.588 65.755 1.00 40.42 N ATOM 33 CA SER A 2 6.914 37.869 65.742 1.00 38.49 C ATOM 34 C SER A 2 7.671 36.708 66.341 1.00 35.04 C ATOM 35 O SER A 2 7.268 36.159 67.363 1.00 35.04 O ATOM 36 CB SER A 2 7.317 39.179 66.424 1.00 45.11 C ATOM 37 OG SER A 2 6.636 39.365 67.655 1.00 60.63 O ATOM 0 H SER A 2 5.101 37.687 66.521 1.00 40.42 H new ATOM 0 HA SER A 2 7.152 37.985 64.809 1.00 38.49 H new ATOM 0 HB2 SER A 2 8.274 39.181 66.581 1.00 45.11 H new ATOM 0 HB3 SER A 2 7.125 39.924 65.833 1.00 45.11 H new ATOM 0 HG SER A 2 6.880 40.089 68.004 1.00 60.63 H new ATOM 38 N LEU A 3 8.774 36.359 65.692 1.00 24.63 N ATOM 39 CA LEU A 3 9.599 35.266 66.129 1.00 19.34 C ATOM 40 C LEU A 3 11.005 35.774 66.279 1.00 19.91 C ATOM 41 O LEU A 3 11.429 36.604 65.497 1.00 17.39 O ATOM 42 CB LEU A 3 9.596 34.187 65.018 1.00 18.65 C ATOM 43 CG LEU A 3 8.228 33.513 64.865 1.00 23.92 C ATOM 44 CD1 LEU A 3 8.180 32.781 63.522 1.00 23.26 C ATOM 45 CD2 LEU A 3 7.984 32.490 65.976 1.00 27.78 C ATOM 0 H LEU A 3 9.059 36.756 64.984 1.00 24.63 H new ATOM 0 HA LEU A 3 9.272 34.901 66.966 1.00 19.34 H new ATOM 0 HB2 LEU A 3 9.850 34.593 64.175 1.00 18.65 H new ATOM 0 HB3 LEU A 3 10.265 33.514 65.222 1.00 18.65 H new ATOM 0 HG LEU A 3 7.546 34.201 64.915 1.00 23.92 H new ATOM 0 HD11 LEU A 3 7.316 32.352 63.418 1.00 23.26 H new ATOM 0 HD12 LEU A 3 8.313 33.417 62.802 1.00 23.26 H new ATOM 0 HD13 LEU A 3 8.880 32.110 63.494 1.00 23.26 H new ATOM 0 HD21 LEU A 3 7.113 32.081 65.854 1.00 27.78 H new ATOM 0 HD22 LEU A 3 8.670 31.805 65.942 1.00 27.78 H new ATOM 0 HD23 LEU A 3 8.014 32.934 66.838 1.00 27.78 H new ATOM 46 N LYS A 4 11.727 35.283 67.279 1.00 17.90 N ATOM 47 CA LYS A 4 13.126 35.720 67.428 1.00 16.65 C ATOM 48 C LYS A 4 13.906 35.385 66.152 1.00 19.27 C ATOM 49 O LYS A 4 14.759 36.123 65.660 1.00 19.08 O ATOM 50 CB LYS A 4 13.818 34.910 68.517 1.00 19.00 C ATOM 51 CG LYS A 4 13.366 35.216 69.921 1.00 32.50 C ATOM 52 CD LYS A 4 14.346 34.596 70.893 1.00 34.41 C ATOM 53 CE LYS A 4 13.697 34.373 72.235 1.00 52.21 C ATOM 54 NZ LYS A 4 12.756 33.256 72.215 1.00 57.70 N ATOM 0 H LYS A 4 11.448 34.718 67.864 1.00 17.90 H new ATOM 0 HA LYS A 4 13.114 36.669 67.627 1.00 16.65 H new ATOM 0 HB2 LYS A 4 13.672 33.967 68.343 1.00 19.00 H new ATOM 0 HB3 LYS A 4 14.774 35.064 68.458 1.00 19.00 H new ATOM 0 HG2 LYS A 4 13.319 36.175 70.057 1.00 32.50 H new ATOM 0 HG3 LYS A 4 12.475 34.864 70.072 1.00 32.50 H new ATOM 0 HD2 LYS A 4 14.668 33.752 70.540 1.00 34.41 H new ATOM 0 HD3 LYS A 4 15.118 35.174 70.994 1.00 34.41 H new ATOM 0 HE2 LYS A 4 14.383 34.204 72.900 1.00 52.21 H new ATOM 0 HE3 LYS A 4 13.232 35.180 72.506 1.00 52.21 H new ATOM 0 HZ1 LYS A 4 12.331 33.211 72.996 1.00 57.70 H new ATOM 0 HZ2 LYS A 4 12.164 33.378 71.562 1.00 57.70 H new ATOM 0 HZ3 LYS A 4 13.199 32.497 72.075 1.00 57.70 H new ATOM 55 N SER A 5 13.607 34.220 65.586 1.00 12.42 N ATOM 56 CA SER A 5 14.343 33.827 64.418 1.00 11.78 C ATOM 57 C SER A 5 14.148 34.693 63.163 1.00 15.62 C ATOM 58 O SER A 5 14.919 34.587 62.185 1.00 14.16 O ATOM 59 CB SER A 5 14.223 32.322 64.185 1.00 15.03 C ATOM 60 OG SER A 5 12.883 32.013 63.821 1.00 16.52 O ATOM 0 H SER A 5 13.005 33.669 65.857 1.00 12.42 H new ATOM 0 HA SER A 5 15.272 34.019 64.619 1.00 11.78 H new ATOM 0 HB2 SER A 5 14.833 32.042 63.485 1.00 15.03 H new ATOM 0 HB3 SER A 5 14.472 31.838 64.988 1.00 15.03 H new ATOM 0 HG SER A 5 12.463 31.748 64.498 1.00 16.52 H new ATOM 61 N ASP A 6 13.104 35.538 63.153 1.00 14.23 N ATOM 62 CA ASP A 6 12.920 36.407 61.983 1.00 13.74 C ATOM 63 C ASP A 6 14.175 37.262 61.759 1.00 14.29 C ATOM 64 O ASP A 6 14.545 37.539 60.602 1.00 14.54 O ATOM 65 CB ASP A 6 11.664 37.314 62.122 1.00 15.69 C ATOM 66 CG ASP A 6 10.363 36.575 61.875 1.00 24.84 C ATOM 67 OD1 ASP A 6 10.335 35.460 61.383 1.00 22.53 O ATOM 68 OD2 ASP A 6 9.266 37.223 62.241 1.00 31.26 O ATOM 0 H ASP A 6 12.520 35.621 63.779 1.00 14.23 H new ATOM 0 HA ASP A 6 12.779 35.835 61.212 1.00 13.74 H new ATOM 0 HB2 ASP A 6 11.647 37.698 63.012 1.00 15.69 H new ATOM 0 HB3 ASP A 6 11.734 38.052 61.496 1.00 15.69 H new ATOM 69 N GLU A 7 14.796 37.617 62.876 1.00 13.81 N ATOM 70 CA GLU A 7 15.988 38.425 62.879 1.00 17.16 C ATOM 71 C GLU A 7 17.137 37.735 62.134 1.00 18.50 C ATOM 72 O GLU A 7 17.881 38.333 61.323 1.00 17.04 O ATOM 73 CB GLU A 7 16.310 38.759 64.356 1.00 20.11 C ATOM 74 CG GLU A 7 17.652 39.505 64.596 1.00 49.72 C ATOM 75 CD GLU A 7 17.927 40.014 66.014 1.00 94.41 C ATOM 76 OE1 GLU A 7 18.973 39.804 66.617 1.00 93.64 O ATOM 77 OE2 GLU A 7 16.984 40.789 66.501 1.00 96.74 O ATOM 0 H GLU A 7 14.527 37.389 63.660 1.00 13.81 H new ATOM 0 HA GLU A 7 15.853 39.254 62.393 1.00 17.16 H new ATOM 0 HB2 GLU A 7 15.589 39.300 64.714 1.00 20.11 H new ATOM 0 HB3 GLU A 7 16.322 37.932 64.863 1.00 20.11 H new ATOM 0 HG2 GLU A 7 18.376 38.910 64.345 1.00 49.72 H new ATOM 0 HG3 GLU A 7 17.686 40.264 63.993 1.00 49.72 H new ATOM 78 N VAL A 8 17.273 36.444 62.408 1.00 12.83 N ATOM 79 CA VAL A 8 18.310 35.666 61.756 1.00 11.87 C ATOM 80 C VAL A 8 18.096 35.588 60.245 1.00 12.86 C ATOM 81 O VAL A 8 19.055 35.688 59.476 1.00 12.77 O ATOM 82 CB VAL A 8 18.369 34.253 62.361 1.00 14.15 C ATOM 83 CG1 VAL A 8 19.415 33.405 61.630 1.00 13.69 C ATOM 84 CG2 VAL A 8 18.696 34.366 63.836 1.00 14.48 C ATOM 0 H VAL A 8 16.781 36.006 62.961 1.00 12.83 H new ATOM 0 HA VAL A 8 19.156 36.115 61.908 1.00 11.87 H new ATOM 0 HB VAL A 8 17.510 33.814 62.258 1.00 14.15 H new ATOM 0 HG11 VAL A 8 19.443 32.517 62.020 1.00 13.69 H new ATOM 0 HG12 VAL A 8 19.179 33.338 60.692 1.00 13.69 H new ATOM 0 HG13 VAL A 8 20.287 33.822 61.715 1.00 13.69 H new ATOM 0 HG21 VAL A 8 18.736 33.479 64.228 1.00 14.48 H new ATOM 0 HG22 VAL A 8 19.554 34.806 63.945 1.00 14.48 H new ATOM 0 HG23 VAL A 8 18.008 34.885 64.281 1.00 14.48 H new ATOM 85 N PHE A 9 16.834 35.372 59.817 1.00 8.89 N ATOM 86 CA PHE A 9 16.557 35.286 58.384 1.00 8.76 C ATOM 87 C PHE A 9 16.798 36.622 57.698 1.00 12.99 C ATOM 88 O PHE A 9 17.219 36.632 56.537 1.00 12.01 O ATOM 89 CB PHE A 9 15.156 34.689 58.030 1.00 10.89 C ATOM 90 CG PHE A 9 15.168 33.206 58.407 1.00 12.21 C ATOM 91 CD1 PHE A 9 14.545 32.743 59.568 1.00 12.49 C ATOM 92 CD2 PHE A 9 15.886 32.288 57.627 1.00 13.36 C ATOM 93 CE1 PHE A 9 14.620 31.387 59.900 1.00 15.38 C ATOM 94 CE2 PHE A 9 15.966 30.929 57.945 1.00 15.14 C ATOM 95 CZ PHE A 9 15.348 30.482 59.117 1.00 14.40 C ATOM 0 H PHE A 9 16.150 35.276 60.330 1.00 8.89 H new ATOM 0 HA PHE A 9 17.192 34.642 58.033 1.00 8.76 H new ATOM 0 HB2 PHE A 9 14.456 35.156 58.512 1.00 10.89 H new ATOM 0 HB3 PHE A 9 14.970 34.797 57.084 1.00 10.89 H new ATOM 0 HD1 PHE A 9 14.083 33.334 60.118 1.00 12.49 H new ATOM 0 HD2 PHE A 9 16.327 32.596 56.868 1.00 13.36 H new ATOM 0 HE1 PHE A 9 14.177 31.079 60.657 1.00 15.38 H new ATOM 0 HE2 PHE A 9 16.420 30.336 57.390 1.00 15.14 H new ATOM 0 HZ PHE A 9 15.420 29.591 59.374 1.00 14.40 H new ATOM 96 N ALA A 10 16.519 37.745 58.377 1.00 10.46 N ATOM 97 CA ALA A 10 16.812 39.049 57.766 1.00 10.56 C ATOM 98 C ALA A 10 18.351 39.171 57.585 1.00 13.01 C ATOM 99 O ALA A 10 18.843 39.612 56.518 1.00 13.28 O ATOM 100 CB ALA A 10 16.347 40.123 58.712 1.00 11.78 C ATOM 0 H ALA A 10 16.173 37.774 59.164 1.00 10.46 H new ATOM 0 HA ALA A 10 16.367 39.137 56.909 1.00 10.56 H new ATOM 0 HB1 ALA A 10 16.531 40.995 58.328 1.00 11.78 H new ATOM 0 HB2 ALA A 10 15.393 40.031 58.862 1.00 11.78 H new ATOM 0 HB3 ALA A 10 16.817 40.036 59.556 1.00 11.78 H new ATOM 101 N LYS A 11 19.129 38.744 58.564 1.00 9.14 N ATOM 102 CA LYS A 11 20.584 38.760 58.442 1.00 8.63 C ATOM 103 C LYS A 11 21.076 37.813 57.336 1.00 12.56 C ATOM 104 O LYS A 11 22.039 38.121 56.644 1.00 11.42 O ATOM 105 CB LYS A 11 21.282 38.426 59.750 1.00 10.67 C ATOM 106 CG LYS A 11 21.048 39.483 60.813 1.00 16.97 C ATOM 107 CD LYS A 11 21.803 39.153 62.090 1.00 28.69 C ATOM 108 CE LYS A 11 21.658 40.186 63.199 1.00 35.07 C ATOM 109 NZ LYS A 11 22.415 39.756 64.382 1.00 58.96 N ATOM 0 H LYS A 11 18.837 38.439 59.313 1.00 9.14 H new ATOM 0 HA LYS A 11 20.817 39.670 58.201 1.00 8.63 H new ATOM 0 HB2 LYS A 11 20.965 37.569 60.074 1.00 10.67 H new ATOM 0 HB3 LYS A 11 22.235 38.335 59.592 1.00 10.67 H new ATOM 0 HG2 LYS A 11 21.332 40.349 60.480 1.00 16.97 H new ATOM 0 HG3 LYS A 11 20.099 39.550 61.003 1.00 16.97 H new ATOM 0 HD2 LYS A 11 21.494 38.295 62.421 1.00 28.69 H new ATOM 0 HD3 LYS A 11 22.744 39.053 61.878 1.00 28.69 H new ATOM 0 HE2 LYS A 11 21.981 41.048 62.894 1.00 35.07 H new ATOM 0 HE3 LYS A 11 20.722 40.299 63.427 1.00 35.07 H new ATOM 0 HZ1 LYS A 11 22.192 40.264 65.078 1.00 58.96 H new ATOM 0 HZ2 LYS A 11 22.226 38.905 64.563 1.00 58.96 H new ATOM 0 HZ3 LYS A 11 23.287 39.838 64.223 1.00 58.96 H new ATOM 110 N ILE A 12 20.459 36.634 57.167 1.00 9.51 N ATOM 111 CA ILE A 12 20.881 35.732 56.094 1.00 9.63 C ATOM 112 C ILE A 12 20.619 36.385 54.747 1.00 13.07 C ATOM 113 O ILE A 12 21.515 36.366 53.912 1.00 11.69 O ATOM 114 CB ILE A 12 20.173 34.357 56.193 1.00 11.08 C ATOM 115 CG1 ILE A 12 20.652 33.625 57.475 1.00 13.17 C ATOM 116 CG2 ILE A 12 20.412 33.539 54.909 1.00 11.29 C ATOM 117 CD1 ILE A 12 19.789 32.403 57.812 1.00 16.30 C ATOM 0 H ILE A 12 19.810 36.346 57.652 1.00 9.51 H new ATOM 0 HA ILE A 12 21.832 35.568 56.187 1.00 9.63 H new ATOM 0 HB ILE A 12 19.213 34.477 56.267 1.00 11.08 H new ATOM 0 HG12 ILE A 12 21.573 33.344 57.358 1.00 13.17 H new ATOM 0 HG13 ILE A 12 20.637 34.244 58.222 1.00 13.17 H new ATOM 0 HG21 ILE A 12 19.964 32.682 54.983 1.00 11.29 H new ATOM 0 HG22 ILE A 12 20.058 34.023 54.146 1.00 11.29 H new ATOM 0 HG23 ILE A 12 21.364 33.397 54.788 1.00 11.29 H new ATOM 0 HD11 ILE A 12 20.126 31.981 58.618 1.00 16.30 H new ATOM 0 HD12 ILE A 12 18.872 32.684 57.954 1.00 16.30 H new ATOM 0 HD13 ILE A 12 19.823 31.770 57.077 1.00 16.30 H new ATOM 118 N ALA A 13 19.424 37.012 54.544 1.00 9.62 N ATOM 119 CA ALA A 13 19.173 37.634 53.258 1.00 9.56 C ATOM 120 C ALA A 13 20.251 38.715 52.998 1.00 12.82 C ATOM 121 O ALA A 13 20.697 38.906 51.859 1.00 11.77 O ATOM 122 CB ALA A 13 17.763 38.234 53.248 1.00 10.40 C ATOM 0 H ALA A 13 18.789 37.075 55.121 1.00 9.62 H new ATOM 0 HA ALA A 13 19.224 36.975 52.548 1.00 9.56 H new ATOM 0 HB1 ALA A 13 17.594 38.650 52.388 1.00 10.40 H new ATOM 0 HB2 ALA A 13 17.111 37.532 53.400 1.00 10.40 H new ATOM 0 HB3 ALA A 13 17.690 38.900 53.949 1.00 10.40 H new ATOM 123 N LYS A 14 20.679 39.431 54.054 1.00 10.07 N ATOM 124 CA LYS A 14 21.710 40.482 53.889 1.00 10.16 C ATOM 125 C LYS A 14 23.062 39.870 53.469 1.00 12.57 C ATOM 126 O LYS A 14 23.776 40.382 52.593 1.00 11.78 O ATOM 127 CB LYS A 14 21.838 41.393 55.120 1.00 9.55 C ATOM 128 CG LYS A 14 23.052 42.281 54.937 1.00 16.34 C ATOM 129 CD LYS A 14 23.122 43.431 55.886 1.00 25.35 C ATOM 130 CE LYS A 14 24.308 44.297 55.474 1.00 30.73 C ATOM 131 NZ LYS A 14 24.509 45.393 56.438 1.00 36.25 N ATOM 0 H LYS A 14 20.393 39.328 54.859 1.00 10.07 H new ATOM 0 HA LYS A 14 21.413 41.060 53.169 1.00 10.16 H new ATOM 0 HB2 LYS A 14 21.039 41.932 55.225 1.00 9.55 H new ATOM 0 HB3 LYS A 14 21.928 40.860 55.926 1.00 9.55 H new ATOM 0 HG2 LYS A 14 23.852 41.742 55.039 1.00 16.34 H new ATOM 0 HG3 LYS A 14 23.055 42.624 54.030 1.00 16.34 H new ATOM 0 HD2 LYS A 14 22.300 43.945 55.860 1.00 25.35 H new ATOM 0 HD3 LYS A 14 23.231 43.115 56.797 1.00 25.35 H new ATOM 0 HE2 LYS A 14 25.110 43.753 55.423 1.00 30.73 H new ATOM 0 HE3 LYS A 14 24.156 44.662 54.588 1.00 30.73 H new ATOM 0 HZ1 LYS A 14 25.203 45.888 56.184 1.00 36.25 H new ATOM 0 HZ2 LYS A 14 23.778 45.900 56.468 1.00 36.25 H new ATOM 0 HZ3 LYS A 14 24.667 45.053 57.245 1.00 36.25 H new ATOM 132 N ARG A 15 23.349 38.709 54.056 1.00 9.38 N ATOM 133 CA ARG A 15 24.584 37.999 53.745 1.00 10.25 C ATOM 134 C ARG A 15 24.630 37.594 52.266 1.00 11.90 C ATOM 135 O ARG A 15 25.695 37.576 51.641 1.00 11.69 O ATOM 136 CB ARG A 15 24.796 36.808 54.714 1.00 9.47 C ATOM 137 CG ARG A 15 25.979 35.923 54.332 1.00 9.24 C ATOM 138 CD ARG A 15 27.332 36.642 54.428 1.00 9.62 C ATOM 139 NE ARG A 15 28.454 35.741 54.172 1.00 11.32 N ATOM 140 CZ ARG A 15 28.857 35.387 52.954 1.00 14.95 C ATOM 141 NH1 ARG A 15 28.310 35.855 51.805 1.00 14.07 N ATOM 142 NH2 ARG A 15 29.884 34.522 52.890 1.00 14.97 N ATOM 0 H ARG A 15 22.844 38.319 54.633 1.00 9.38 H new ATOM 0 HA ARG A 15 25.333 38.600 53.883 1.00 10.25 H new ATOM 0 HB2 ARG A 15 24.932 37.150 55.612 1.00 9.47 H new ATOM 0 HB3 ARG A 15 23.990 36.269 54.735 1.00 9.47 H new ATOM 0 HG2 ARG A 15 25.992 35.144 54.910 1.00 9.24 H new ATOM 0 HG3 ARG A 15 25.855 35.601 53.425 1.00 9.24 H new ATOM 0 HD2 ARG A 15 27.354 37.373 53.791 1.00 9.62 H new ATOM 0 HD3 ARG A 15 27.427 37.032 55.311 1.00 9.62 H new ATOM 0 HE ARG A 15 28.879 35.421 54.848 1.00 11.32 H new ATOM 0 HH11 ARG A 15 27.660 36.417 51.836 1.00 14.07 H new ATOM 0 HH12 ARG A 15 28.613 35.590 51.045 1.00 14.07 H new ATOM 0 HH21 ARG A 15 30.244 34.228 53.613 1.00 14.97 H new ATOM 0 HH22 ARG A 15 30.181 34.263 52.126 1.00 14.97 H new ATOM 143 N LEU A 16 23.453 37.252 51.700 1.00 10.39 N ATOM 144 CA LEU A 16 23.359 36.834 50.302 1.00 11.70 C ATOM 145 C LEU A 16 23.766 37.916 49.341 1.00 11.35 C ATOM 146 O LEU A 16 24.151 37.642 48.221 1.00 12.86 O ATOM 147 CB LEU A 16 22.008 36.231 49.879 1.00 11.99 C ATOM 148 CG LEU A 16 21.536 35.066 50.741 1.00 18.88 C ATOM 149 CD1 LEU A 16 20.296 34.471 50.109 1.00 21.74 C ATOM 150 CD2 LEU A 16 22.572 33.963 50.823 1.00 20.38 C ATOM 0 H LEU A 16 22.701 37.259 52.118 1.00 10.39 H new ATOM 0 HA LEU A 16 24.001 36.108 50.252 1.00 11.70 H new ATOM 0 HB2 LEU A 16 21.334 36.929 49.902 1.00 11.99 H new ATOM 0 HB3 LEU A 16 22.075 35.931 48.959 1.00 11.99 H new ATOM 0 HG LEU A 16 21.369 35.408 51.633 1.00 18.88 H new ATOM 0 HD11 LEU A 16 19.983 33.727 50.647 1.00 21.74 H new ATOM 0 HD12 LEU A 16 19.602 35.147 50.058 1.00 21.74 H new ATOM 0 HD13 LEU A 16 20.507 34.157 49.216 1.00 21.74 H new ATOM 0 HD21 LEU A 16 22.235 33.243 51.378 1.00 20.38 H new ATOM 0 HD22 LEU A 16 22.756 33.625 49.933 1.00 20.38 H new ATOM 0 HD23 LEU A 16 23.389 34.314 51.211 1.00 20.38 H new ATOM 151 N GLU A 17 23.638 39.151 49.792 1.00 10.33 N ATOM 152 CA GLU A 17 23.983 40.273 48.941 1.00 11.35 C ATOM 153 C GLU A 17 25.465 40.286 48.586 1.00 15.84 C ATOM 154 O GLU A 17 25.865 40.819 47.558 1.00 15.62 O ATOM 155 CB GLU A 17 23.664 41.592 49.683 1.00 11.68 C ATOM 156 CG GLU A 17 22.149 41.791 49.912 1.00 13.83 C ATOM 157 CD GLU A 17 21.860 42.991 50.786 1.00 16.64 C ATOM 158 OE1 GLU A 17 20.859 43.139 51.432 1.00 16.44 O ATOM 159 OE2 GLU A 17 22.836 43.849 50.838 1.00 18.77 O ATOM 0 H GLU A 17 23.357 39.360 50.577 1.00 10.33 H new ATOM 0 HA GLU A 17 23.466 40.187 48.125 1.00 11.35 H new ATOM 0 HB2 GLU A 17 24.121 41.597 50.539 1.00 11.68 H new ATOM 0 HB3 GLU A 17 24.012 42.339 49.172 1.00 11.68 H new ATOM 0 HG2 GLU A 17 21.705 41.901 49.056 1.00 13.83 H new ATOM 0 HG3 GLU A 17 21.778 40.995 50.324 1.00 13.83 H new ATOM 160 N SER A 18 26.303 39.711 49.448 1.00 13.22 N ATOM 161 CA SER A 18 27.759 39.729 49.268 1.00 12.72 C ATOM 162 C SER A 18 28.409 38.434 48.714 1.00 18.02 C ATOM 163 O SER A 18 29.613 38.202 48.860 1.00 19.76 O ATOM 164 CB ASER A 18 28.494 40.350 50.451 0.50 12.90 C ATOM 165 CB BSER A 18 28.379 39.967 50.643 0.50 12.90 C ATOM 166 OG ASER A 18 28.124 39.644 51.609 0.50 13.01 O ATOM 167 OG BSER A 18 28.234 41.311 51.006 0.50 14.03 O ATOM 0 H SER A 18 26.044 39.298 50.156 1.00 13.22 H new ATOM 0 HA SER A 18 27.885 40.335 48.522 1.00 12.72 H new ATOM 0 HB2ASER A 18 29.454 40.303 50.317 0.50 12.90 H new ATOM 0 HB2BSER A 18 27.951 39.398 51.302 0.50 12.90 H new ATOM 0 HB3ASER A 18 28.265 41.289 50.538 0.50 12.90 H new ATOM 0 HB3BSER A 18 29.319 39.727 50.628 0.50 12.90 H new ATOM 0 HG ASER A 18 28.322 38.833 51.518 0.50 14.03 H new ATOM 0 HG BSER A 18 27.597 41.388 51.548 0.50 14.03 H new ATOM 168 N ILE A 19 27.634 37.561 48.096 1.00 14.53 N ATOM 169 CA ILE A 19 28.193 36.351 47.546 1.00 14.94 C ATOM 170 C ILE A 19 29.050 36.671 46.332 1.00 19.67 C ATOM 171 O ILE A 19 28.749 37.611 45.592 1.00 18.84 O ATOM 172 CB ILE A 19 26.999 35.493 47.174 1.00 17.86 C ATOM 173 CG1 ILE A 19 26.591 34.731 48.427 1.00 16.64 C ATOM 174 CG2 ILE A 19 27.264 34.627 45.943 1.00 22.73 C ATOM 175 CD1 ILE A 19 25.298 33.979 48.211 1.00 27.39 C ATOM 0 H ILE A 19 26.786 37.652 47.986 1.00 14.53 H new ATOM 0 HA ILE A 19 28.772 35.892 48.174 1.00 14.94 H new ATOM 0 HB ILE A 19 26.248 36.037 46.889 1.00 17.86 H new ATOM 0 HG12 ILE A 19 27.293 34.109 48.673 1.00 16.64 H new ATOM 0 HG13 ILE A 19 26.489 35.350 49.167 1.00 16.64 H new ATOM 0 HG21 ILE A 19 26.476 34.098 45.744 1.00 22.73 H new ATOM 0 HG22 ILE A 19 27.471 35.196 45.185 1.00 22.73 H new ATOM 0 HG23 ILE A 19 28.014 34.037 46.118 1.00 22.73 H new ATOM 0 HD11 ILE A 19 25.061 33.503 49.022 1.00 27.39 H new ATOM 0 HD12 ILE A 19 24.593 34.606 47.986 1.00 27.39 H new ATOM 0 HD13 ILE A 19 25.410 33.345 47.486 1.00 27.39 H new ATOM 176 N ASP A 20 30.149 35.929 46.155 1.00 16.71 N ATOM 177 CA ASP A 20 31.023 36.137 45.013 1.00 15.40 C ATOM 178 C ASP A 20 30.629 35.156 43.937 1.00 21.56 C ATOM 179 O ASP A 20 30.840 33.968 44.023 1.00 18.02 O ATOM 180 CB ASP A 20 32.479 35.922 45.346 1.00 16.44 C ATOM 181 CG ASP A 20 33.370 36.126 44.151 1.00 23.69 C ATOM 182 OD1 ASP A 20 32.976 36.359 43.007 1.00 21.69 O ATOM 183 OD2 ASP A 20 34.620 35.963 44.503 1.00 25.94 O ATOM 0 H ASP A 20 30.400 35.303 46.688 1.00 16.71 H new ATOM 0 HA ASP A 20 30.922 37.058 44.725 1.00 15.40 H new ATOM 0 HB2 ASP A 20 32.742 36.533 46.052 1.00 16.44 H new ATOM 0 HB3 ASP A 20 32.602 35.023 45.689 1.00 16.44 H new ATOM 184 N PRO A 21 29.992 35.687 42.919 1.00 20.88 N ATOM 185 CA PRO A 21 29.484 34.888 41.817 1.00 22.84 C ATOM 186 C PRO A 21 30.547 34.102 41.071 1.00 30.76 C ATOM 187 O PRO A 21 30.214 33.131 40.390 1.00 31.76 O ATOM 188 CB PRO A 21 28.808 35.863 40.862 1.00 24.19 C ATOM 189 CG PRO A 21 29.077 37.250 41.420 1.00 26.60 C ATOM 190 CD PRO A 21 29.813 37.148 42.746 1.00 20.83 C ATOM 0 HA PRO A 21 28.880 34.219 42.175 1.00 22.84 H new ATOM 0 HB2 PRO A 21 29.166 35.774 39.965 1.00 24.19 H new ATOM 0 HB3 PRO A 21 27.855 35.690 40.806 1.00 24.19 H new ATOM 0 HG2 PRO A 21 29.604 37.763 40.788 1.00 26.60 H new ATOM 0 HG3 PRO A 21 28.240 37.725 41.543 1.00 26.60 H new ATOM 0 HD2 PRO A 21 30.664 37.613 42.721 1.00 20.83 H new ATOM 0 HD3 PRO A 21 29.299 37.535 43.472 1.00 20.83 H new ATOM 191 N ALA A 22 31.792 34.550 41.223 1.00 26.90 N ATOM 192 CA ALA A 22 32.907 33.925 40.567 1.00 28.35 C ATOM 193 C ALA A 22 33.481 32.816 41.407 1.00 30.92 C ATOM 194 O ALA A 22 34.357 32.075 40.960 1.00 33.78 O ATOM 195 CB ALA A 22 34.018 34.966 40.426 1.00 29.55 C ATOM 0 H ALA A 22 32.002 35.226 41.712 1.00 26.90 H new ATOM 0 HA ALA A 22 32.601 33.575 39.716 1.00 28.35 H new ATOM 0 HB1 ALA A 22 34.783 34.565 39.985 1.00 29.55 H new ATOM 0 HB2 ALA A 22 33.696 35.714 39.899 1.00 29.55 H new ATOM 0 HB3 ALA A 22 34.281 35.280 41.305 1.00 29.55 H new ATOM 196 N ASN A 23 33.049 32.726 42.643 1.00 20.90 N ATOM 197 CA ASN A 23 33.614 31.718 43.468 1.00 21.39 C ATOM 198 C ASN A 23 32.562 31.179 44.412 1.00 22.51 C ATOM 199 O ASN A 23 32.575 31.432 45.624 1.00 22.55 O ATOM 200 CB ASN A 23 34.839 32.196 44.281 1.00 28.90 C ATOM 201 CG ASN A 23 35.445 31.028 45.060 1.00 84.77 C ATOM 202 OD1 ASN A 23 35.635 29.939 44.495 1.00 96.22 O ATOM 203 ND2 ASN A 23 35.722 31.193 46.359 1.00 78.43 N ATOM 0 H ASN A 23 32.450 33.224 43.006 1.00 20.90 H new ATOM 0 HA ASN A 23 33.930 31.022 42.871 1.00 21.39 H new ATOM 0 HB2 ASN A 23 35.503 32.575 43.684 1.00 28.90 H new ATOM 0 HB3 ASN A 23 34.574 32.899 44.894 1.00 28.90 H new ATOM 0 HD21 ASN A 23 36.038 30.538 46.818 1.00 78.43 H new ATOM 0 HD22 ASN A 23 35.584 31.954 46.735 1.00 78.43 H new ATOM 204 N ARG A 24 31.653 30.428 43.816 1.00 17.62 N ATOM 205 CA ARG A 24 30.593 29.845 44.609 1.00 16.21 C ATOM 206 C ARG A 24 31.132 28.723 45.487 1.00 21.89 C ATOM 207 O ARG A 24 32.041 27.965 45.084 1.00 22.24 O ATOM 208 CB ARG A 24 29.433 29.445 43.707 1.00 12.96 C ATOM 209 CG ARG A 24 28.736 30.635 43.035 1.00 14.76 C ATOM 210 CD ARG A 24 28.209 31.693 44.026 1.00 15.28 C ATOM 211 NE ARG A 24 27.571 31.071 45.216 1.00 14.04 N ATOM 212 CZ ARG A 24 26.343 30.497 45.217 1.00 17.17 C ATOM 213 NH1 ARG A 24 25.554 30.506 44.128 1.00 17.54 N ATOM 214 NH2 ARG A 24 25.871 29.932 46.323 1.00 12.94 N ATOM 0 H ARG A 24 31.631 30.247 42.975 1.00 17.62 H new ATOM 0 HA ARG A 24 30.236 30.500 45.229 1.00 16.21 H new ATOM 0 HB2 ARG A 24 29.760 28.842 43.021 1.00 12.96 H new ATOM 0 HB3 ARG A 24 28.782 28.952 44.230 1.00 12.96 H new ATOM 0 HG2 ARG A 24 29.358 31.059 42.423 1.00 14.76 H new ATOM 0 HG3 ARG A 24 27.995 30.306 42.503 1.00 14.76 H new ATOM 0 HD2 ARG A 24 28.942 32.260 44.312 1.00 15.28 H new ATOM 0 HD3 ARG A 24 27.566 32.264 43.577 1.00 15.28 H new ATOM 0 HE ARG A 24 28.011 31.076 45.955 1.00 14.04 H new ATOM 0 HH11 ARG A 24 25.825 30.883 43.404 1.00 17.54 H new ATOM 0 HH12 ARG A 24 24.779 30.134 44.155 1.00 17.54 H new ATOM 0 HH21 ARG A 24 26.345 29.930 47.041 1.00 12.94 H new ATOM 0 HH22 ARG A 24 25.092 29.568 46.321 1.00 12.94 H new ATOM 215 N GLN A 25 30.576 28.611 46.694 1.00 17.07 N ATOM 216 CA GLN A 25 31.036 27.593 47.622 1.00 19.01 C ATOM 217 C GLN A 25 29.998 26.556 47.996 1.00 20.02 C ATOM 218 O GLN A 25 30.350 25.392 48.150 1.00 20.49 O ATOM 219 CB GLN A 25 31.484 28.289 48.922 1.00 21.61 C ATOM 220 CG GLN A 25 32.593 29.339 48.673 1.00 31.14 C ATOM 221 CD GLN A 25 33.826 28.865 49.366 1.00 52.51 C ATOM 222 OE1 GLN A 25 34.053 29.215 50.539 1.00 52.17 O ATOM 223 NE2 GLN A 25 34.531 27.985 48.661 1.00 42.19 N ATOM 0 H GLN A 25 29.940 29.110 46.987 1.00 17.07 H new ATOM 0 HA GLN A 25 31.752 27.122 47.168 1.00 19.01 H new ATOM 0 HB2 GLN A 25 30.720 28.720 49.335 1.00 21.61 H new ATOM 0 HB3 GLN A 25 31.807 27.623 49.549 1.00 21.61 H new ATOM 0 HG2 GLN A 25 32.755 29.444 47.723 1.00 31.14 H new ATOM 0 HG3 GLN A 25 32.323 30.207 49.013 1.00 31.14 H new ATOM 0 HE21 GLN A 25 34.303 27.800 47.852 1.00 42.19 H new ATOM 0 HE22 GLN A 25 35.215 27.600 49.014 1.00 42.19 H new ATOM 224 N VAL A 26 28.745 26.980 48.182 1.00 13.36 N ATOM 225 CA VAL A 26 27.658 26.056 48.576 1.00 11.71 C ATOM 226 C VAL A 26 26.459 26.318 47.657 1.00 15.69 C ATOM 227 O VAL A 26 25.878 27.404 47.714 1.00 14.03 O ATOM 228 CB VAL A 26 27.276 26.236 50.050 1.00 14.40 C ATOM 229 CG1 VAL A 26 26.176 25.240 50.461 1.00 12.70 C ATOM 230 CG2 VAL A 26 28.517 26.160 50.965 1.00 15.36 C ATOM 0 H VAL A 26 28.497 27.798 48.087 1.00 13.36 H new ATOM 0 HA VAL A 26 27.956 25.138 48.480 1.00 11.71 H new ATOM 0 HB VAL A 26 26.906 27.126 50.161 1.00 14.40 H new ATOM 0 HG11 VAL A 26 25.952 25.373 51.395 1.00 12.70 H new ATOM 0 HG12 VAL A 26 25.387 25.386 49.916 1.00 12.70 H new ATOM 0 HG13 VAL A 26 26.495 24.333 50.331 1.00 12.70 H new ATOM 0 HG21 VAL A 26 28.246 26.277 51.889 1.00 15.36 H new ATOM 0 HG22 VAL A 26 28.944 25.295 50.861 1.00 15.36 H new ATOM 0 HG23 VAL A 26 29.142 26.860 50.721 1.00 15.36 H new ATOM 231 N GLU A 27 26.142 25.348 46.777 1.00 12.06 N ATOM 232 CA GLU A 27 25.052 25.473 45.820 1.00 10.06 C ATOM 233 C GLU A 27 23.999 24.400 46.070 1.00 11.67 C ATOM 234 O GLU A 27 23.880 23.421 45.333 1.00 12.66 O ATOM 235 CB GLU A 27 25.623 25.405 44.399 1.00 11.67 C ATOM 236 CG GLU A 27 26.623 26.572 44.229 1.00 14.54 C ATOM 237 CD GLU A 27 27.341 26.502 42.911 1.00 29.16 C ATOM 238 OE1 GLU A 27 28.295 25.803 42.702 1.00 27.39 O ATOM 239 OE2 GLU A 27 26.821 27.269 42.012 1.00 26.77 O ATOM 0 H GLU A 27 26.563 24.600 46.728 1.00 12.06 H new ATOM 0 HA GLU A 27 24.610 26.330 45.928 1.00 10.06 H new ATOM 0 HB2 GLU A 27 26.066 24.555 44.252 1.00 11.67 H new ATOM 0 HB3 GLU A 27 24.911 25.471 43.744 1.00 11.67 H new ATOM 0 HG2 GLU A 27 26.150 27.416 44.295 1.00 14.54 H new ATOM 0 HG3 GLU A 27 27.270 26.552 44.952 1.00 14.54 H new ATOM 240 N HIS A 28 23.268 24.581 47.174 1.00 10.49 N ATOM 241 CA HIS A 28 22.241 23.650 47.578 1.00 9.05 C ATOM 242 C HIS A 28 21.001 24.380 48.041 1.00 10.12 C ATOM 243 O HIS A 28 21.103 25.560 48.269 1.00 10.56 O ATOM 244 CB HIS A 28 22.749 22.695 48.667 1.00 10.15 C ATOM 245 CG HIS A 28 23.826 21.809 48.105 1.00 13.20 C ATOM 246 ND1 HIS A 28 23.530 20.822 47.181 1.00 14.87 N ATOM 247 CD2 HIS A 28 25.178 21.820 48.316 1.00 15.63 C ATOM 248 CE1 HIS A 28 24.693 20.253 46.879 1.00 15.35 C ATOM 249 NE2 HIS A 28 25.688 20.824 47.534 1.00 15.80 N ATOM 0 H HIS A 28 23.362 25.252 47.703 1.00 10.49 H new ATOM 0 HA HIS A 28 22.007 23.117 46.802 1.00 9.05 H new ATOM 0 HB2 HIS A 28 23.095 23.202 49.418 1.00 10.15 H new ATOM 0 HB3 HIS A 28 22.017 22.155 49.003 1.00 10.15 H new ATOM 0 HD1 HIS A 28 22.755 20.619 46.868 1.00 14.87 H new ATOM 0 HD2 HIS A 28 25.653 22.390 48.877 1.00 15.63 H new ATOM 0 HE1 HIS A 28 24.793 19.545 46.284 1.00 15.35 H new ATOM 250 N VAL A 29 19.873 23.666 48.110 1.00 10.69 N ATOM 251 CA VAL A 29 18.576 24.244 48.520 1.00 9.83 C ATOM 252 C VAL A 29 18.174 23.686 49.887 1.00 11.64 C ATOM 253 O VAL A 29 18.075 22.468 50.036 1.00 11.36 O ATOM 254 CB VAL A 29 17.465 23.997 47.503 1.00 12.07 C ATOM 255 CG1 VAL A 29 16.190 24.730 47.967 1.00 12.52 C ATOM 256 CG2 VAL A 29 17.897 24.440 46.104 1.00 11.93 C ATOM 0 H VAL A 29 19.834 22.828 47.920 1.00 10.69 H new ATOM 0 HA VAL A 29 18.694 25.205 48.573 1.00 9.83 H new ATOM 0 HB VAL A 29 17.277 23.047 47.449 1.00 12.07 H new ATOM 0 HG11 VAL A 29 15.478 24.578 47.326 1.00 12.52 H new ATOM 0 HG12 VAL A 29 15.920 24.392 48.835 1.00 12.52 H new ATOM 0 HG13 VAL A 29 16.369 25.681 48.032 1.00 12.52 H new ATOM 0 HG21 VAL A 29 17.177 24.274 45.475 1.00 11.93 H new ATOM 0 HG22 VAL A 29 18.105 25.387 46.114 1.00 11.93 H new ATOM 0 HG23 VAL A 29 18.683 23.940 45.834 1.00 11.93 H new ATOM 257 N TYR A 30 17.925 24.546 50.865 1.00 8.63 N ATOM 258 CA TYR A 30 17.611 24.131 52.199 1.00 9.07 C ATOM 259 C TYR A 30 16.285 24.709 52.630 1.00 12.30 C ATOM 260 O TYR A 30 15.971 25.848 52.285 1.00 10.97 O ATOM 261 CB TYR A 30 18.651 24.745 53.164 1.00 9.38 C ATOM 262 CG TYR A 30 20.070 24.329 52.888 1.00 9.89 C ATOM 263 CD1 TYR A 30 20.871 25.031 51.980 1.00 12.13 C ATOM 264 CD2 TYR A 30 20.626 23.223 53.538 1.00 10.40 C ATOM 265 CE1 TYR A 30 22.187 24.630 51.726 1.00 10.64 C ATOM 266 CE2 TYR A 30 21.946 22.815 53.296 1.00 10.09 C ATOM 267 CZ TYR A 30 22.726 23.520 52.379 1.00 12.35 C ATOM 268 OH TYR A 30 24.034 23.159 52.172 1.00 12.14 O ATOM 0 H TYR A 30 17.937 25.399 50.759 1.00 8.63 H new ATOM 0 HA TYR A 30 17.599 23.161 52.219 1.00 9.07 H new ATOM 0 HB2 TYR A 30 18.593 25.712 53.114 1.00 9.38 H new ATOM 0 HB3 TYR A 30 18.422 24.494 54.073 1.00 9.38 H new ATOM 0 HD1 TYR A 30 20.524 25.773 51.540 1.00 12.13 H new ATOM 0 HD2 TYR A 30 20.108 22.746 54.146 1.00 10.40 H new ATOM 0 HE1 TYR A 30 22.706 25.106 51.118 1.00 10.64 H new ATOM 0 HE2 TYR A 30 22.299 22.080 53.744 1.00 10.09 H new ATOM 0 HH TYR A 30 24.274 22.619 52.769 1.00 12.14 H new ATOM 269 N LYS A 31 15.549 23.959 53.462 1.00 9.73 N ATOM 270 CA LYS A 31 14.273 24.442 53.996 1.00 9.14 C ATOM 271 C LYS A 31 14.345 24.424 55.508 1.00 10.48 C ATOM 272 O LYS A 31 14.877 23.478 56.075 1.00 10.63 O ATOM 273 CB LYS A 31 13.118 23.573 53.516 1.00 10.19 C ATOM 274 CG LYS A 31 11.734 23.951 54.046 1.00 12.63 C ATOM 275 CD LYS A 31 10.678 23.019 53.440 1.00 13.31 C ATOM 276 CE LYS A 31 9.229 23.430 53.737 1.00 22.53 C ATOM 277 NZ LYS A 31 8.225 22.644 52.953 1.00 15.38 N ATOM 0 H LYS A 31 15.772 23.172 53.727 1.00 9.73 H new ATOM 0 HA LYS A 31 14.114 25.345 53.680 1.00 9.14 H new ATOM 0 HB2 LYS A 31 13.094 23.604 52.547 1.00 10.19 H new ATOM 0 HB3 LYS A 31 13.301 22.654 53.766 1.00 10.19 H new ATOM 0 HG2 LYS A 31 11.719 23.885 55.014 1.00 12.63 H new ATOM 0 HG3 LYS A 31 11.532 24.873 53.821 1.00 12.63 H new ATOM 0 HD2 LYS A 31 10.804 22.987 52.479 1.00 13.31 H new ATOM 0 HD3 LYS A 31 10.824 22.121 53.775 1.00 13.31 H new ATOM 0 HE2 LYS A 31 9.053 23.316 54.684 1.00 22.53 H new ATOM 0 HE3 LYS A 31 9.119 24.373 53.540 1.00 22.53 H new ATOM 0 HZ1 LYS A 31 7.454 23.088 52.928 1.00 15.38 H new ATOM 0 HZ2 LYS A 31 8.524 22.523 52.124 1.00 15.38 H new ATOM 0 HZ3 LYS A 31 8.099 21.853 53.341 1.00 15.38 H new ATOM 278 N PHE A 32 13.823 25.489 56.124 1.00 7.56 N ATOM 279 CA PHE A 32 13.808 25.589 57.584 1.00 7.65 C ATOM 280 C PHE A 32 12.354 25.665 58.026 1.00 11.96 C ATOM 281 O PHE A 32 11.614 26.554 57.598 1.00 11.94 O ATOM 282 CB PHE A 32 14.518 26.898 58.046 1.00 10.12 C ATOM 283 CG PHE A 32 15.985 26.991 57.653 1.00 11.07 C ATOM 284 CD1 PHE A 32 16.327 27.467 56.385 1.00 12.93 C ATOM 285 CD2 PHE A 32 16.995 26.574 58.532 1.00 14.61 C ATOM 286 CE1 PHE A 32 17.671 27.573 56.014 1.00 15.17 C ATOM 287 CE2 PHE A 32 18.341 26.622 58.161 1.00 15.05 C ATOM 288 CZ PHE A 32 18.655 27.144 56.905 1.00 14.06 C ATOM 0 H PHE A 32 13.474 26.161 55.715 1.00 7.56 H new ATOM 0 HA PHE A 32 14.265 24.824 57.967 1.00 7.65 H new ATOM 0 HB2 PHE A 32 14.046 27.658 57.672 1.00 10.12 H new ATOM 0 HB3 PHE A 32 14.448 26.967 59.011 1.00 10.12 H new ATOM 0 HD1 PHE A 32 15.659 27.714 55.786 1.00 12.93 H new ATOM 0 HD2 PHE A 32 16.765 26.260 59.377 1.00 14.61 H new ATOM 0 HE1 PHE A 32 17.905 27.924 55.185 1.00 15.17 H new ATOM 0 HE2 PHE A 32 19.007 26.316 58.733 1.00 15.05 H new ATOM 0 HZ PHE A 32 19.548 27.208 56.654 1.00 14.06 H new ATOM 289 N ARG A 33 11.916 24.725 58.853 1.00 10.25 N ATOM 290 CA ARG A 33 10.545 24.713 59.371 1.00 9.21 C ATOM 291 C ARG A 33 10.642 25.119 60.848 1.00 11.57 C ATOM 292 O ARG A 33 11.205 24.393 61.701 1.00 12.91 O ATOM 293 CB ARG A 33 9.928 23.322 59.269 1.00 9.16 C ATOM 294 CG ARG A 33 9.846 22.904 57.808 1.00 10.83 C ATOM 295 CD ARG A 33 9.335 21.456 57.712 1.00 18.67 C ATOM 296 NE ARG A 33 7.949 21.228 58.098 1.00 20.78 N ATOM 297 CZ ARG A 33 7.564 20.371 59.056 1.00 34.87 C ATOM 298 NH1 ARG A 33 8.411 19.625 59.803 1.00 23.45 N ATOM 299 NH2 ARG A 33 6.262 20.247 59.294 1.00 24.33 N ATOM 0 H ARG A 33 12.402 24.073 59.133 1.00 10.25 H new ATOM 0 HA ARG A 33 9.984 25.317 58.859 1.00 9.21 H new ATOM 0 HB2 ARG A 33 10.462 22.684 59.768 1.00 9.16 H new ATOM 0 HB3 ARG A 33 9.043 23.321 59.665 1.00 9.16 H new ATOM 0 HG2 ARG A 33 9.251 23.499 57.325 1.00 10.83 H new ATOM 0 HG3 ARG A 33 10.719 22.977 57.392 1.00 10.83 H new ATOM 0 HD2 ARG A 33 9.449 21.154 56.797 1.00 18.67 H new ATOM 0 HD3 ARG A 33 9.901 20.897 58.268 1.00 18.67 H new ATOM 0 HE ARG A 33 7.338 21.671 57.685 1.00 20.78 H new ATOM 0 HH11 ARG A 33 9.260 19.683 59.678 1.00 23.45 H new ATOM 0 HH12 ARG A 33 8.100 19.093 60.403 1.00 23.45 H new ATOM 0 HH21 ARG A 33 5.696 20.708 58.840 1.00 24.33 H new ATOM 0 HH22 ARG A 33 5.986 19.705 59.902 1.00 24.33 H new ATOM 300 N ILE A 34 10.157 26.340 61.139 1.00 8.81 N ATOM 301 CA ILE A 34 10.280 26.863 62.484 1.00 7.21 C ATOM 302 C ILE A 34 9.039 26.561 63.302 1.00 12.76 C ATOM 303 O ILE A 34 7.929 26.907 62.888 1.00 12.94 O ATOM 304 CB ILE A 34 10.492 28.373 62.408 1.00 10.42 C ATOM 305 CG1 ILE A 34 11.681 28.698 61.518 1.00 12.95 C ATOM 306 CG2 ILE A 34 10.729 28.866 63.830 1.00 12.67 C ATOM 307 CD1 ILE A 34 12.948 27.981 61.974 1.00 18.40 C ATOM 0 H ILE A 34 9.765 26.860 60.577 1.00 8.81 H new ATOM 0 HA ILE A 34 11.036 26.439 62.919 1.00 7.21 H new ATOM 0 HB ILE A 34 9.717 28.811 62.022 1.00 10.42 H new ATOM 0 HG12 ILE A 34 11.478 28.445 60.604 1.00 12.95 H new ATOM 0 HG13 ILE A 34 11.834 29.656 61.520 1.00 12.95 H new ATOM 0 HG21 ILE A 34 10.868 29.826 63.821 1.00 12.67 H new ATOM 0 HG22 ILE A 34 9.956 28.657 64.378 1.00 12.67 H new ATOM 0 HG23 ILE A 34 11.513 28.429 64.198 1.00 12.67 H new ATOM 0 HD11 ILE A 34 13.682 28.213 61.383 1.00 18.40 H new ATOM 0 HD12 ILE A 34 13.165 28.251 62.880 1.00 18.40 H new ATOM 0 HD13 ILE A 34 12.804 27.022 61.949 1.00 18.40 H new ATOM 308 N THR A 35 9.219 25.957 64.473 1.00 11.36 N ATOM 309 CA THR A 35 8.066 25.630 65.270 1.00 10.88 C ATOM 310 C THR A 35 8.049 26.484 66.521 1.00 13.99 C ATOM 311 O THR A 35 9.029 27.103 66.924 1.00 13.22 O ATOM 312 CB THR A 35 8.137 24.128 65.680 1.00 12.41 C ATOM 313 OG1 THR A 35 9.269 23.814 66.506 1.00 12.69 O ATOM 314 CG2 THR A 35 8.167 23.243 64.449 1.00 13.09 C ATOM 0 H THR A 35 9.980 25.737 64.809 1.00 11.36 H new ATOM 0 HA THR A 35 7.261 25.796 64.755 1.00 10.88 H new ATOM 0 HB THR A 35 7.338 23.959 66.204 1.00 12.41 H new ATOM 0 HG1 THR A 35 9.067 23.927 67.313 1.00 12.69 H new ATOM 0 HG21 THR A 35 8.211 22.313 64.720 1.00 13.09 H new ATOM 0 HG22 THR A 35 7.364 23.389 63.926 1.00 13.09 H new ATOM 0 HG23 THR A 35 8.946 23.460 63.913 1.00 13.09 H new ATOM 315 N GLN A 36 6.880 26.513 67.137 1.00 14.52 N ATOM 316 CA GLN A 36 6.777 27.258 68.386 1.00 18.01 C ATOM 317 C GLN A 36 5.683 26.602 69.160 1.00 28.75 C ATOM 318 O GLN A 36 4.553 26.586 68.696 1.00 28.54 O ATOM 319 CB GLN A 36 6.475 28.767 68.192 1.00 19.34 C ATOM 320 CG GLN A 36 6.673 29.618 69.460 1.00 28.92 C ATOM 321 CD GLN A 36 6.393 31.068 69.148 1.00 43.35 C ATOM 322 OE1 GLN A 36 5.364 31.376 68.527 1.00 35.96 O ATOM 323 NE2 GLN A 36 7.321 31.944 69.539 1.00 41.67 N ATOM 0 H GLN A 36 6.160 26.127 66.867 1.00 14.52 H new ATOM 0 HA GLN A 36 7.630 27.236 68.847 1.00 18.01 H new ATOM 0 HB2 GLN A 36 7.047 29.113 67.490 1.00 19.34 H new ATOM 0 HB3 GLN A 36 5.560 28.867 67.887 1.00 19.34 H new ATOM 0 HG2 GLN A 36 6.081 29.309 70.163 1.00 28.92 H new ATOM 0 HG3 GLN A 36 7.580 29.518 69.789 1.00 28.92 H new ATOM 0 HE21 GLN A 36 8.015 31.672 69.967 1.00 41.67 H new ATOM 0 HE22 GLN A 36 7.225 32.780 69.363 1.00 41.67 H new ATOM 324 N GLY A 37 6.018 26.060 70.305 1.00 33.65 N ATOM 325 CA GLY A 37 4.935 25.443 71.033 1.00 38.27 C ATOM 326 C GLY A 37 4.460 24.232 70.244 1.00 47.37 C ATOM 327 O GLY A 37 3.237 23.952 70.085 1.00 46.08 O ATOM 0 H GLY A 37 6.801 26.034 70.660 1.00 33.65 H new ATOM 0 HA2 GLY A 37 5.231 25.176 71.917 1.00 38.27 H new ATOM 0 HA3 GLY A 37 4.208 26.073 71.156 1.00 38.27 H new ATOM 328 N GLY A 38 5.513 23.566 69.739 1.00 45.67 N ATOM 329 CA GLY A 38 5.330 22.382 68.942 1.00 46.04 C ATOM 330 C GLY A 38 4.748 22.622 67.541 1.00 48.58 C ATOM 331 O GLY A 38 5.158 21.852 66.652 1.00 52.82 O ATOM 0 H GLY A 38 6.333 23.797 69.856 1.00 45.67 H new ATOM 0 HA2 GLY A 38 6.186 21.936 68.849 1.00 46.04 H new ATOM 0 HA3 GLY A 38 4.744 21.774 69.420 1.00 46.04 H new ATOM 332 N LYS A 39 3.822 23.615 67.313 1.00 34.09 N ATOM 333 CA LYS A 39 3.247 23.826 65.982 1.00 28.85 C ATOM 334 C LYS A 39 4.158 24.532 65.003 1.00 20.03 C ATOM 335 O LYS A 39 4.965 25.351 65.426 1.00 16.86 O ATOM 336 CB LYS A 39 1.885 24.503 65.908 1.00 30.63 C ATOM 337 CG LYS A 39 1.798 25.650 66.882 1.00 37.65 C ATOM 338 CD LYS A 39 0.594 26.559 66.716 1.00 36.65 C ATOM 339 CE LYS A 39 0.780 27.925 67.436 1.00 38.38 C ATOM 340 NZ LYS A 39 1.974 28.023 68.296 1.00 63.93 N ATOM 0 H LYS A 39 3.534 24.155 67.917 1.00 34.09 H new ATOM 0 HA LYS A 39 3.126 22.899 65.725 1.00 28.85 H new ATOM 0 HB2 LYS A 39 1.730 24.827 65.007 1.00 30.63 H new ATOM 0 HB3 LYS A 39 1.188 23.857 66.101 1.00 30.63 H new ATOM 0 HG2 LYS A 39 1.789 25.289 67.782 1.00 37.65 H new ATOM 0 HG3 LYS A 39 2.602 26.186 66.799 1.00 37.65 H new ATOM 0 HD2 LYS A 39 0.436 26.713 65.771 1.00 36.65 H new ATOM 0 HD3 LYS A 39 -0.194 26.116 67.067 1.00 36.65 H new ATOM 0 HE2 LYS A 39 0.823 28.625 66.766 1.00 38.38 H new ATOM 0 HE3 LYS A 39 -0.006 28.099 67.977 1.00 38.38 H new ATOM 0 HZ1 LYS A 39 1.939 28.777 68.768 1.00 63.93 H new ATOM 0 HZ2 LYS A 39 1.999 27.327 68.850 1.00 63.93 H new ATOM 0 HZ3 LYS A 39 2.706 28.024 67.789 1.00 63.93 H new ATOM 341 N VAL A 40 3.971 24.212 63.720 1.00 15.42 N ATOM 342 CA VAL A 40 4.735 24.833 62.667 1.00 15.46 C ATOM 343 C VAL A 40 4.208 26.247 62.451 1.00 24.04 C ATOM 344 O VAL A 40 3.048 26.437 62.085 1.00 29.09 O ATOM 345 CB VAL A 40 4.707 24.072 61.339 1.00 19.26 C ATOM 346 CG1 VAL A 40 5.713 24.724 60.389 1.00 20.35 C ATOM 347 CG2 VAL A 40 5.207 22.657 61.592 1.00 20.26 C ATOM 0 H VAL A 40 3.398 23.631 63.448 1.00 15.42 H new ATOM 0 HA VAL A 40 5.661 24.833 62.956 1.00 15.46 H new ATOM 0 HB VAL A 40 3.810 24.078 60.970 1.00 19.26 H new ATOM 0 HG11 VAL A 40 5.709 24.254 59.541 1.00 20.35 H new ATOM 0 HG12 VAL A 40 5.468 25.652 60.245 1.00 20.35 H new ATOM 0 HG13 VAL A 40 6.601 24.681 60.778 1.00 20.35 H new ATOM 0 HG21 VAL A 40 5.197 22.157 60.761 1.00 20.26 H new ATOM 0 HG22 VAL A 40 6.113 22.691 61.938 1.00 20.26 H new ATOM 0 HG23 VAL A 40 4.630 22.221 62.239 1.00 20.26 H new ATOM 348 N VAL A 41 5.062 27.263 62.660 1.00 14.19 N ATOM 349 CA VAL A 41 4.633 28.651 62.508 1.00 13.00 C ATOM 350 C VAL A 41 5.121 29.320 61.223 1.00 14.29 C ATOM 351 O VAL A 41 4.439 30.194 60.737 1.00 13.67 O ATOM 352 CB VAL A 41 4.866 29.495 63.776 1.00 16.82 C ATOM 353 CG1 VAL A 41 4.167 28.874 64.978 1.00 17.34 C ATOM 354 CG2 VAL A 41 6.343 29.569 64.074 1.00 17.96 C ATOM 0 H VAL A 41 5.885 27.164 62.888 1.00 14.19 H new ATOM 0 HA VAL A 41 3.670 28.607 62.399 1.00 13.00 H new ATOM 0 HB VAL A 41 4.505 30.381 63.616 1.00 16.82 H new ATOM 0 HG11 VAL A 41 4.327 29.420 65.763 1.00 17.34 H new ATOM 0 HG12 VAL A 41 3.213 28.824 64.808 1.00 17.34 H new ATOM 0 HG13 VAL A 41 4.515 27.981 65.130 1.00 17.34 H new ATOM 0 HG21 VAL A 41 6.486 30.101 64.872 1.00 17.96 H new ATOM 0 HG22 VAL A 41 6.690 28.674 64.216 1.00 17.96 H new ATOM 0 HG23 VAL A 41 6.804 29.980 63.326 1.00 17.96 H new ATOM 355 N LYS A 42 6.319 28.958 60.716 1.00 11.99 N ATOM 356 CA LYS A 42 6.833 29.581 59.512 1.00 12.16 C ATOM 357 C LYS A 42 7.827 28.688 58.777 1.00 13.35 C ATOM 358 O LYS A 42 8.602 27.957 59.383 1.00 17.06 O ATOM 359 CB LYS A 42 7.577 30.847 59.933 1.00 17.45 C ATOM 360 CG LYS A 42 7.641 31.989 58.931 1.00 21.67 C ATOM 361 CD LYS A 42 8.122 33.241 59.652 1.00 26.26 C ATOM 362 CE LYS A 42 7.623 34.558 59.111 1.00 30.85 C ATOM 363 NZ LYS A 42 7.847 35.657 60.054 1.00 27.77 N ATOM 0 H LYS A 42 6.832 28.360 61.061 1.00 11.99 H new ATOM 0 HA LYS A 42 6.087 29.758 58.918 1.00 12.16 H new ATOM 0 HB2 LYS A 42 7.162 31.182 60.743 1.00 17.45 H new ATOM 0 HB3 LYS A 42 8.486 30.598 60.162 1.00 17.45 H new ATOM 0 HG2 LYS A 42 8.244 31.766 58.205 1.00 21.67 H new ATOM 0 HG3 LYS A 42 6.767 32.141 58.538 1.00 21.67 H new ATOM 0 HD2 LYS A 42 7.859 33.176 60.584 1.00 26.26 H new ATOM 0 HD3 LYS A 42 9.092 33.251 59.631 1.00 26.26 H new ATOM 0 HE2 LYS A 42 8.072 34.754 58.274 1.00 30.85 H new ATOM 0 HE3 LYS A 42 6.676 34.489 58.915 1.00 30.85 H new ATOM 0 HZ1 LYS A 42 7.878 36.428 59.610 1.00 27.77 H new ATOM 0 HZ2 LYS A 42 7.182 35.682 60.645 1.00 27.77 H new ATOM 0 HZ3 LYS A 42 8.618 35.530 60.481 1.00 27.77 H new ATOM 364 N ASN A 43 7.814 28.770 57.461 1.00 10.90 N ATOM 365 CA ASN A 43 8.711 27.996 56.649 1.00 11.84 C ATOM 366 C ASN A 43 9.503 28.950 55.763 1.00 14.76 C ATOM 367 O ASN A 43 8.960 29.879 55.159 1.00 11.94 O ATOM 368 CB AASN A 43 7.960 27.238 55.534 0.50 13.53 C ATOM 369 CB BASN A 43 8.001 26.907 55.840 0.50 14.25 C ATOM 370 CG AASN A 43 6.921 26.238 55.951 0.50 27.43 C ATOM 371 CG BASN A 43 7.422 25.809 56.707 0.50 26.38 C ATOM 372 OD1AASN A 43 7.217 25.342 56.749 0.50 24.12 O ATOM 373 OD1BASN A 43 7.679 25.705 57.927 0.50 15.44 O ATOM 374 ND2AASN A 43 5.725 26.387 55.379 0.50 19.32 N ATOM 375 ND2BASN A 43 6.597 24.990 56.066 0.50 16.99 N ATOM 0 H ASN A 43 7.282 29.279 57.017 1.00 10.90 H new ATOM 0 HA ASN A 43 9.205 27.433 57.266 1.00 11.84 H new ATOM 0 HB2AASN A 43 7.531 27.894 54.963 0.50 14.25 H new ATOM 0 HB2BASN A 43 7.289 27.310 55.319 0.50 14.25 H new ATOM 0 HB3AASN A 43 8.618 26.777 54.991 0.50 14.25 H new ATOM 0 HB3BASN A 43 8.628 26.518 55.210 0.50 14.25 H new ATOM 0 HD21AASN A 43 5.091 25.834 55.558 0.50 16.99 H new ATOM 0 HD21BASN A 43 6.210 24.350 56.491 0.50 16.99 H new ATOM 0 HD22AASN A 43 5.588 27.036 54.831 0.50 16.99 H new ATOM 0 HD22BASN A 43 6.450 25.099 55.226 0.50 16.99 H new ATOM 376 N TRP A 44 10.794 28.660 55.624 1.00 11.80 N ATOM 377 CA TRP A 44 11.666 29.454 54.774 1.00 11.08 C ATOM 378 C TRP A 44 12.449 28.531 53.853 1.00 10.52 C ATOM 379 O TRP A 44 12.850 27.409 54.257 1.00 11.23 O ATOM 380 CB TRP A 44 12.731 30.076 55.707 1.00 10.33 C ATOM 381 CG TRP A 44 12.204 31.098 56.687 1.00 11.50 C ATOM 382 CD1 TRP A 44 11.785 30.873 57.971 1.00 15.61 C ATOM 383 CD2 TRP A 44 12.070 32.512 56.454 1.00 10.95 C ATOM 384 NE1 TRP A 44 11.416 32.067 58.577 1.00 15.73 N ATOM 385 CE2 TRP A 44 11.595 33.085 57.678 1.00 15.65 C ATOM 386 CE3 TRP A 44 12.341 33.315 55.347 1.00 11.49 C ATOM 387 CZ2 TRP A 44 11.414 34.472 57.830 1.00 15.38 C ATOM 388 CZ3 TRP A 44 12.119 34.686 55.486 1.00 13.36 C ATOM 389 CH2 TRP A 44 11.675 35.236 56.707 1.00 13.74 C ATOM 0 H TRP A 44 11.184 28.002 56.018 1.00 11.80 H new ATOM 0 HA TRP A 44 11.146 30.101 54.272 1.00 11.08 H new ATOM 0 HB2 TRP A 44 13.162 29.363 56.204 1.00 10.33 H new ATOM 0 HB3 TRP A 44 13.415 30.494 55.161 1.00 10.33 H new ATOM 0 HD1 TRP A 44 11.752 30.038 58.380 1.00 15.61 H new ATOM 0 HE1 TRP A 44 11.124 32.153 59.381 1.00 15.73 H new ATOM 0 HE3 TRP A 44 12.656 32.953 54.550 1.00 11.49 H new ATOM 0 HZ2 TRP A 44 11.137 34.850 58.633 1.00 15.38 H new ATOM 0 HZ3 TRP A 44 12.267 35.248 54.760 1.00 13.36 H new ATOM 0 HH2 TRP A 44 11.552 36.156 56.759 1.00 13.74 H new ATOM 390 N VAL A 45 12.676 28.993 52.626 1.00 8.96 N ATOM 391 CA VAL A 45 13.488 28.230 51.722 1.00 10.07 C ATOM 392 C VAL A 45 14.697 29.106 51.345 1.00 12.61 C ATOM 393 O VAL A 45 14.542 30.262 50.889 1.00 12.43 O ATOM 394 CB VAL A 45 12.730 27.759 50.472 1.00 14.44 C ATOM 395 CG1 VAL A 45 13.689 27.152 49.446 1.00 15.81 C ATOM 396 CG2 VAL A 45 11.650 26.734 50.826 1.00 14.59 C ATOM 0 H VAL A 45 12.370 29.733 52.313 1.00 8.96 H new ATOM 0 HA VAL A 45 13.770 27.413 52.163 1.00 10.07 H new ATOM 0 HB VAL A 45 12.304 28.540 50.087 1.00 14.44 H new ATOM 0 HG11 VAL A 45 13.189 26.862 48.667 1.00 15.81 H new ATOM 0 HG12 VAL A 45 14.343 27.817 49.181 1.00 15.81 H new ATOM 0 HG13 VAL A 45 14.144 26.391 49.839 1.00 15.81 H new ATOM 0 HG21 VAL A 45 11.190 26.456 50.018 1.00 14.59 H new ATOM 0 HG22 VAL A 45 12.061 25.962 51.245 1.00 14.59 H new ATOM 0 HG23 VAL A 45 11.013 27.133 51.439 1.00 14.59 H new ATOM 397 N MET A 46 15.941 28.558 51.548 1.00 9.01 N ATOM 398 CA MET A 46 17.194 29.247 51.182 1.00 9.19 C ATOM 399 C MET A 46 17.787 28.468 50.006 1.00 9.72 C ATOM 400 O MET A 46 18.318 27.354 50.126 1.00 9.64 O ATOM 401 CB MET A 46 18.177 29.279 52.336 1.00 11.67 C ATOM 402 CG MET A 46 19.500 29.953 51.961 1.00 14.25 C ATOM 403 SD MET A 46 20.560 30.129 53.440 1.00 17.57 S ATOM 404 CE MET A 46 20.977 28.396 53.780 1.00 15.85 C ATOM 0 H MET A 46 16.062 27.783 51.900 1.00 9.01 H new ATOM 0 HA MET A 46 17.013 30.171 50.949 1.00 9.19 H new ATOM 0 HB2 MET A 46 17.778 29.750 53.084 1.00 11.67 H new ATOM 0 HB3 MET A 46 18.352 28.372 52.633 1.00 11.67 H new ATOM 0 HG2 MET A 46 19.959 29.428 51.287 1.00 14.25 H new ATOM 0 HG3 MET A 46 19.328 30.825 51.573 1.00 14.25 H new ATOM 0 HE1 MET A 46 21.714 28.358 54.410 1.00 15.85 H new ATOM 0 HE2 MET A 46 20.206 27.945 54.158 1.00 15.85 H new ATOM 0 HE3 MET A 46 21.235 27.957 52.954 1.00 15.85 H new ATOM 405 N ASP A 47 17.601 29.048 48.841 1.00 9.14 N ATOM 406 CA ASP A 47 18.042 28.511 47.574 1.00 9.72 C ATOM 407 C ASP A 47 19.421 29.066 47.229 1.00 10.58 C ATOM 408 O ASP A 47 19.508 30.178 46.746 1.00 11.38 O ATOM 409 CB ASP A 47 17.020 28.826 46.482 1.00 10.38 C ATOM 410 CG ASP A 47 17.469 28.269 45.151 1.00 17.66 C ATOM 411 OD1 ASP A 47 18.587 27.841 44.862 1.00 13.57 O ATOM 412 OD2 ASP A 47 16.482 28.195 44.309 1.00 16.69 O ATOM 0 H ASP A 47 17.195 29.802 48.762 1.00 9.14 H new ATOM 0 HA ASP A 47 18.114 27.546 47.639 1.00 9.72 H new ATOM 0 HB2 ASP A 47 16.159 28.450 46.721 1.00 10.38 H new ATOM 0 HB3 ASP A 47 16.901 29.786 46.412 1.00 10.38 H new ATOM 413 N LEU A 48 20.483 28.318 47.464 1.00 9.24 N ATOM 414 CA LEU A 48 21.826 28.785 47.170 1.00 9.79 C ATOM 415 C LEU A 48 22.285 28.486 45.761 1.00 14.30 C ATOM 416 O LEU A 48 23.404 28.826 45.410 1.00 13.21 O ATOM 417 CB LEU A 48 22.866 28.350 48.244 1.00 9.70 C ATOM 418 CG LEU A 48 22.610 28.961 49.634 1.00 13.97 C ATOM 419 CD1 LEU A 48 23.577 28.470 50.709 1.00 13.28 C ATOM 420 CD2 LEU A 48 22.585 30.484 49.602 1.00 16.31 C ATOM 0 H LEU A 48 20.448 27.526 47.798 1.00 9.24 H new ATOM 0 HA LEU A 48 21.770 29.752 47.218 1.00 9.79 H new ATOM 0 HB2 LEU A 48 22.858 27.383 48.318 1.00 9.70 H new ATOM 0 HB3 LEU A 48 23.753 28.604 47.946 1.00 9.70 H new ATOM 0 HG LEU A 48 21.727 28.644 49.882 1.00 13.97 H new ATOM 0 HD11 LEU A 48 23.361 28.892 51.556 1.00 13.28 H new ATOM 0 HD12 LEU A 48 23.500 27.507 50.799 1.00 13.28 H new ATOM 0 HD13 LEU A 48 24.485 28.699 50.457 1.00 13.28 H new ATOM 0 HD21 LEU A 48 22.421 30.824 50.496 1.00 16.31 H new ATOM 0 HD22 LEU A 48 23.439 30.815 49.282 1.00 16.31 H new ATOM 0 HD23 LEU A 48 21.879 30.784 49.008 1.00 16.31 H new ATOM 421 N LYS A 49 21.428 27.835 44.988 1.00 12.07 N ATOM 422 CA LYS A 49 21.753 27.572 43.602 1.00 11.40 C ATOM 423 C LYS A 49 21.419 28.845 42.837 1.00 17.67 C ATOM 424 O LYS A 49 22.231 29.320 42.043 1.00 19.17 O ATOM 425 CB LYS A 49 20.931 26.438 43.030 1.00 12.78 C ATOM 426 CG LYS A 49 21.415 25.140 43.604 1.00 14.49 C ATOM 427 CD LYS A 49 20.806 23.975 42.868 1.00 19.92 C ATOM 428 CE LYS A 49 21.283 22.646 43.421 1.00 26.98 C ATOM 429 NZ LYS A 49 20.499 21.555 42.836 1.00 44.57 N ATOM 0 H LYS A 49 20.662 27.541 45.245 1.00 12.07 H new ATOM 0 HA LYS A 49 22.686 27.318 43.529 1.00 11.40 H new ATOM 0 HB2 LYS A 49 19.993 26.567 43.239 1.00 12.78 H new ATOM 0 HB3 LYS A 49 21.007 26.425 42.063 1.00 12.78 H new ATOM 0 HG2 LYS A 49 22.382 25.096 43.546 1.00 14.49 H new ATOM 0 HG3 LYS A 49 21.185 25.091 44.545 1.00 14.49 H new ATOM 0 HD2 LYS A 49 19.839 24.023 42.931 1.00 19.92 H new ATOM 0 HD3 LYS A 49 21.032 24.033 41.927 1.00 19.92 H new ATOM 0 HE2 LYS A 49 22.224 22.522 43.222 1.00 26.98 H new ATOM 0 HE3 LYS A 49 21.194 22.637 44.387 1.00 26.98 H new ATOM 0 HZ1 LYS A 49 20.782 20.777 43.163 1.00 44.57 H new ATOM 0 HZ2 LYS A 49 19.639 21.666 43.037 1.00 44.57 H new ATOM 0 HZ3 LYS A 49 20.599 21.558 41.952 1.00 44.57 H new ATOM 430 N ASN A 50 20.215 29.401 43.036 1.00 13.00 N ATOM 431 CA ASN A 50 19.755 30.626 42.363 1.00 13.35 C ATOM 432 C ASN A 50 20.026 31.898 43.194 1.00 15.72 C ATOM 433 O ASN A 50 19.891 33.022 42.703 1.00 17.03 O ATOM 434 CB ASN A 50 18.245 30.541 42.105 1.00 16.45 C ATOM 435 CG ASN A 50 18.004 29.500 41.034 1.00 27.05 C ATOM 436 OD1 ASN A 50 18.590 29.580 39.955 1.00 27.12 O ATOM 437 ND2 ASN A 50 17.237 28.469 41.339 1.00 21.29 N ATOM 0 H ASN A 50 19.633 29.070 43.576 1.00 13.00 H new ATOM 0 HA ASN A 50 20.253 30.690 41.533 1.00 13.35 H new ATOM 0 HB2 ASN A 50 17.776 30.302 42.920 1.00 16.45 H new ATOM 0 HB3 ASN A 50 17.902 31.403 41.822 1.00 16.45 H new ATOM 0 HD21 ASN A 50 17.135 27.827 40.776 1.00 21.29 H new ATOM 0 HD22 ASN A 50 16.839 28.439 42.101 1.00 21.29 H new ATOM 438 N VAL A 51 20.373 31.726 44.471 1.00 11.83 N ATOM 439 CA VAL A 51 20.677 32.827 45.379 1.00 12.34 C ATOM 440 C VAL A 51 19.418 33.598 45.788 1.00 16.95 C ATOM 441 O VAL A 51 19.213 34.732 45.383 1.00 14.78 O ATOM 442 CB VAL A 51 21.849 33.737 44.978 1.00 14.99 C ATOM 443 CG1 VAL A 51 22.250 34.580 46.177 1.00 15.90 C ATOM 444 CG2 VAL A 51 23.040 32.906 44.512 1.00 15.55 C ATOM 0 H VAL A 51 20.439 30.951 44.838 1.00 11.83 H new ATOM 0 HA VAL A 51 21.022 32.388 46.172 1.00 12.34 H new ATOM 0 HB VAL A 51 21.571 34.310 44.246 1.00 14.99 H new ATOM 0 HG11 VAL A 51 22.990 35.158 45.933 1.00 15.90 H new ATOM 0 HG12 VAL A 51 21.496 35.121 46.459 1.00 15.90 H new ATOM 0 HG13 VAL A 51 22.520 33.999 46.905 1.00 15.90 H new ATOM 0 HG21 VAL A 51 23.769 33.496 44.263 1.00 15.55 H new ATOM 0 HG22 VAL A 51 23.328 32.322 45.231 1.00 15.55 H new ATOM 0 HG23 VAL A 51 22.781 32.371 43.745 1.00 15.55 H new ATOM 445 N LYS A 52 18.577 32.953 46.599 1.00 12.70 N ATOM 446 CA LYS A 52 17.338 33.529 47.058 1.00 13.37 C ATOM 447 C LYS A 52 16.943 32.949 48.404 1.00 15.63 C ATOM 448 O LYS A 52 17.240 31.810 48.739 1.00 14.21 O ATOM 449 CB LYS A 52 16.282 33.417 45.979 1.00 21.48 C ATOM 450 CG LYS A 52 15.415 32.199 46.056 1.00 60.33 C ATOM 451 CD LYS A 52 14.342 32.233 44.982 1.00 81.30 C ATOM 452 CE LYS A 52 13.376 31.063 45.115 1.00100.00 C ATOM 453 NZ LYS A 52 13.655 29.981 44.166 1.00100.00 N ATOM 0 H LYS A 52 18.722 32.159 46.896 1.00 12.70 H new ATOM 0 HA LYS A 52 17.447 34.479 47.218 1.00 13.37 H new ATOM 0 HB2 LYS A 52 15.715 34.203 46.020 1.00 21.48 H new ATOM 0 HB3 LYS A 52 16.722 33.429 45.114 1.00 21.48 H new ATOM 0 HG2 LYS A 52 15.959 31.403 45.951 1.00 60.33 H new ATOM 0 HG3 LYS A 52 15.001 32.146 46.932 1.00 60.33 H new ATOM 0 HD2 LYS A 52 13.851 33.067 45.041 1.00 81.30 H new ATOM 0 HD3 LYS A 52 14.759 32.211 44.107 1.00 81.30 H new ATOM 0 HE2 LYS A 52 13.421 30.714 46.019 1.00100.00 H new ATOM 0 HE3 LYS A 52 12.470 31.381 44.979 1.00100.00 H new ATOM 0 HZ1 LYS A 52 13.066 29.324 44.283 1.00100.00 H new ATOM 0 HZ2 LYS A 52 13.591 30.291 43.334 1.00100.00 H new ATOM 0 HZ3 LYS A 52 14.477 29.670 44.304 1.00100.00 H new ATOM 454 N LEU A 53 16.283 33.771 49.194 1.00 12.93 N ATOM 455 CA LEU A 53 15.802 33.372 50.510 1.00 10.08 C ATOM 456 C LEU A 53 14.373 33.922 50.635 1.00 14.52 C ATOM 457 O LEU A 53 14.149 35.137 50.572 1.00 14.15 O ATOM 458 CB LEU A 53 16.675 33.970 51.631 1.00 10.88 C ATOM 459 CG LEU A 53 15.990 33.708 52.970 1.00 16.57 C ATOM 460 CD1 LEU A 53 16.075 32.237 53.359 1.00 16.24 C ATOM 461 CD2 LEU A 53 16.584 34.556 54.068 1.00 25.59 C ATOM 0 H LEU A 53 16.097 34.584 48.985 1.00 12.93 H new ATOM 0 HA LEU A 53 15.834 32.407 50.600 1.00 10.08 H new ATOM 0 HB2 LEU A 53 17.558 33.570 51.620 1.00 10.88 H new ATOM 0 HB3 LEU A 53 16.794 34.923 51.494 1.00 10.88 H new ATOM 0 HG LEU A 53 15.057 33.949 52.860 1.00 16.57 H new ATOM 0 HD11 LEU A 53 15.633 32.101 54.212 1.00 16.24 H new ATOM 0 HD12 LEU A 53 15.641 31.697 52.680 1.00 16.24 H new ATOM 0 HD13 LEU A 53 17.006 31.975 53.433 1.00 16.24 H new ATOM 0 HD21 LEU A 53 16.130 34.368 54.904 1.00 25.59 H new ATOM 0 HD22 LEU A 53 17.528 34.352 54.160 1.00 25.59 H new ATOM 0 HD23 LEU A 53 16.477 35.494 53.846 1.00 25.59 H new ATOM 462 N VAL A 54 13.373 33.049 50.737 1.00 12.06 N ATOM 463 CA VAL A 54 11.993 33.514 50.817 1.00 12.06 C ATOM 464 C VAL A 54 11.181 32.641 51.757 1.00 14.87 C ATOM 465 O VAL A 54 11.480 31.452 51.989 1.00 12.60 O ATOM 466 CB VAL A 54 11.271 33.547 49.452 1.00 18.06 C ATOM 467 CG1 VAL A 54 11.972 34.485 48.475 1.00 18.87 C ATOM 468 CG2 VAL A 54 11.140 32.150 48.837 1.00 18.39 C ATOM 0 H VAL A 54 13.471 32.195 50.761 1.00 12.06 H new ATOM 0 HA VAL A 54 12.051 34.423 51.150 1.00 12.06 H new ATOM 0 HB VAL A 54 10.377 33.885 49.620 1.00 18.06 H new ATOM 0 HG11 VAL A 54 11.497 34.485 47.629 1.00 18.87 H new ATOM 0 HG12 VAL A 54 11.982 35.384 48.840 1.00 18.87 H new ATOM 0 HG13 VAL A 54 12.883 34.184 48.334 1.00 18.87 H new ATOM 0 HG21 VAL A 54 10.683 32.213 47.984 1.00 18.39 H new ATOM 0 HG22 VAL A 54 12.023 31.771 48.703 1.00 18.39 H new ATOM 0 HG23 VAL A 54 10.631 31.580 49.434 1.00 18.39 H new ATOM 469 N GLU A 55 10.105 33.244 52.277 1.00 11.07 N ATOM 470 CA GLU A 55 9.184 32.503 53.138 1.00 11.46 C ATOM 471 C GLU A 55 8.360 31.659 52.165 1.00 14.94 C ATOM 472 O GLU A 55 7.596 32.171 51.374 1.00 15.52 O ATOM 473 CB GLU A 55 8.308 33.506 53.912 1.00 12.85 C ATOM 474 CG GLU A 55 7.334 32.753 54.809 1.00 16.17 C ATOM 475 CD GLU A 55 6.353 33.686 55.467 1.00 32.81 C ATOM 476 OE1 GLU A 55 6.304 34.881 55.229 1.00 19.17 O ATOM 477 OE2 GLU A 55 5.542 33.063 56.290 1.00 29.18 O ATOM 0 H GLU A 55 9.895 34.068 52.145 1.00 11.07 H new ATOM 0 HA GLU A 55 9.622 31.947 53.801 1.00 11.46 H new ATOM 0 HB2 GLU A 55 8.867 34.091 54.447 1.00 12.85 H new ATOM 0 HB3 GLU A 55 7.820 34.069 53.291 1.00 12.85 H new ATOM 0 HG2 GLU A 55 6.853 32.094 54.284 1.00 16.17 H new ATOM 0 HG3 GLU A 55 7.828 32.269 55.489 1.00 16.17 H new ATOM 478 N SER A 56 8.520 30.344 52.150 1.00 11.99 N ATOM 479 CA SER A 56 7.803 29.510 51.189 1.00 12.63 C ATOM 480 C SER A 56 7.805 28.030 51.631 1.00 16.61 C ATOM 481 O SER A 56 8.632 27.604 52.450 1.00 15.26 O ATOM 482 CB ASER A 56 8.231 29.684 49.734 0.50 17.64 C ATOM 483 CB BSER A 56 8.447 29.659 49.829 0.50 19.88 C ATOM 484 OG ASER A 56 8.542 28.434 49.129 0.50 17.33 O ATOM 485 OG BSER A 56 9.805 29.292 49.962 0.50 30.33 O ATOM 0 H SER A 56 9.037 29.913 52.685 1.00 11.99 H new ATOM 0 HA SER A 56 6.889 29.833 51.200 1.00 12.63 H new ATOM 0 HB2ASER A 56 7.521 30.118 49.236 0.50 19.88 H new ATOM 0 HB2BSER A 56 8.003 29.094 49.177 0.50 19.88 H new ATOM 0 HB3ASER A 56 9.005 30.267 49.691 0.50 19.88 H new ATOM 0 HB3BSER A 56 8.370 30.573 49.513 0.50 19.88 H new ATOM 0 HG ASER A 56 9.020 28.562 48.450 0.50 30.33 H new ATOM 0 HG BSER A 56 10.189 29.364 49.218 0.50 30.33 H new ATOM 486 N ASP A 57 6.843 27.263 51.131 1.00 13.77 N ATOM 487 CA ASP A 57 6.702 25.866 51.539 1.00 15.19 C ATOM 488 C ASP A 57 7.156 24.892 50.461 1.00 19.73 C ATOM 489 O ASP A 57 6.647 23.779 50.350 1.00 20.61 O ATOM 490 CB ASP A 57 5.209 25.593 51.820 1.00 18.33 C ATOM 491 CG ASP A 57 4.908 24.279 52.482 1.00 26.40 C ATOM 492 OD1 ASP A 57 3.863 23.678 52.222 1.00 26.47 O ATOM 493 OD2 ASP A 57 5.862 23.903 53.314 1.00 19.06 O ATOM 0 H ASP A 57 6.262 27.529 50.556 1.00 13.77 H new ATOM 0 HA ASP A 57 7.259 25.731 52.322 1.00 15.19 H new ATOM 0 HB2 ASP A 57 4.865 26.306 52.380 1.00 18.33 H new ATOM 0 HB3 ASP A 57 4.725 25.633 50.980 1.00 18.33 H new ATOM 494 N ASP A 58 8.125 25.290 49.673 1.00 15.53 N ATOM 495 CA ASP A 58 8.606 24.405 48.626 1.00 16.12 C ATOM 496 C ASP A 58 9.452 23.241 49.150 1.00 17.25 C ATOM 497 O ASP A 58 9.842 23.179 50.320 1.00 18.61 O ATOM 498 CB ASP A 58 9.522 25.164 47.665 1.00 21.34 C ATOM 499 CG ASP A 58 8.822 26.250 46.924 1.00 51.38 C ATOM 500 OD1 ASP A 58 7.611 26.283 46.807 1.00 56.85 O ATOM 501 OD2 ASP A 58 9.657 27.123 46.418 1.00 62.83 O ATOM 0 H ASP A 58 8.517 26.054 49.720 1.00 15.53 H new ATOM 0 HA ASP A 58 7.803 24.067 48.201 1.00 16.12 H new ATOM 0 HB2 ASP A 58 10.261 25.545 48.165 1.00 21.34 H new ATOM 0 HB3 ASP A 58 9.903 24.539 47.028 1.00 21.34 H new ATOM 502 N ALA A 59 9.708 22.296 48.251 1.00 12.66 N ATOM 503 CA ALA A 59 10.540 21.125 48.533 1.00 13.37 C ATOM 504 C ALA A 59 12.027 21.535 48.524 1.00 16.11 C ATOM 505 O ALA A 59 12.401 22.546 47.925 1.00 17.95 O ATOM 506 CB ALA A 59 10.283 20.056 47.478 1.00 14.44 C ATOM 0 H ALA A 59 9.400 22.315 47.448 1.00 12.66 H new ATOM 0 HA ALA A 59 10.317 20.768 49.407 1.00 13.37 H new ATOM 0 HB1 ALA A 59 10.834 19.279 47.663 1.00 14.44 H new ATOM 0 HB2 ALA A 59 9.347 19.801 47.497 1.00 14.44 H new ATOM 0 HB3 ALA A 59 10.504 20.407 46.601 1.00 14.44 H new ATOM 507 N ALA A 60 12.912 20.778 49.191 1.00 11.90 N ATOM 508 CA ALA A 60 14.326 21.167 49.247 1.00 10.03 C ATOM 509 C ALA A 60 15.196 19.910 49.306 1.00 9.81 C ATOM 510 O ALA A 60 14.695 18.783 49.439 1.00 10.64 O ATOM 511 CB ALA A 60 14.601 21.991 50.517 1.00 10.90 C ATOM 0 H ALA A 60 12.717 20.052 49.608 1.00 11.90 H new ATOM 0 HA ALA A 60 14.532 21.693 48.459 1.00 10.03 H new ATOM 0 HB1 ALA A 60 15.538 22.242 50.543 1.00 10.90 H new ATOM 0 HB2 ALA A 60 14.052 22.791 50.509 1.00 10.90 H new ATOM 0 HB3 ALA A 60 14.387 21.460 51.300 1.00 10.90 H new ATOM 512 N GLU A 61 16.515 20.103 49.225 1.00 7.68 N ATOM 513 CA GLU A 61 17.457 18.984 49.312 1.00 8.63 C ATOM 514 C GLU A 61 17.685 18.521 50.764 1.00 11.71 C ATOM 515 O GLU A 61 17.999 17.337 50.997 1.00 11.32 O ATOM 516 CB GLU A 61 18.807 19.385 48.711 1.00 9.78 C ATOM 517 CG GLU A 61 18.637 19.699 47.216 1.00 9.67 C ATOM 518 CD GLU A 61 19.942 20.158 46.599 1.00 25.36 C ATOM 519 OE1 GLU A 61 20.506 21.160 46.895 1.00 18.23 O ATOM 520 OE2 GLU A 61 20.448 19.376 45.708 1.00 28.89 O ATOM 0 H GLU A 61 16.884 20.873 49.120 1.00 7.68 H new ATOM 0 HA GLU A 61 17.065 18.249 48.815 1.00 8.63 H new ATOM 0 HB2 GLU A 61 19.160 20.160 49.175 1.00 9.78 H new ATOM 0 HB3 GLU A 61 19.449 18.667 48.829 1.00 9.78 H new ATOM 0 HG2 GLU A 61 18.317 18.910 46.752 1.00 9.67 H new ATOM 0 HG3 GLU A 61 17.963 20.387 47.102 1.00 9.67 H new ATOM 521 N ALA A 62 17.529 19.441 51.746 1.00 9.05 N ATOM 522 CA ALA A 62 17.621 19.121 53.170 1.00 8.82 C ATOM 523 C ALA A 62 16.599 20.006 53.872 1.00 11.33 C ATOM 524 O ALA A 62 16.507 21.202 53.583 1.00 10.48 O ATOM 525 CB ALA A 62 19.029 19.247 53.698 1.00 9.63 C ATOM 0 H ALA A 62 17.366 20.271 51.590 1.00 9.05 H new ATOM 0 HA ALA A 62 17.411 18.190 53.342 1.00 8.82 H new ATOM 0 HB1 ALA A 62 19.042 19.026 54.642 1.00 9.63 H new ATOM 0 HB2 ALA A 62 19.611 18.639 53.216 1.00 9.63 H new ATOM 0 HB3 ALA A 62 19.341 20.157 53.575 1.00 9.63 H new ATOM 526 N THR A 63 15.883 19.433 54.857 1.00 10.24 N ATOM 527 CA THR A 63 14.852 20.153 55.616 1.00 9.30 C ATOM 528 C THR A 63 15.186 20.053 57.080 1.00 11.09 C ATOM 529 O THR A 63 15.311 18.930 57.621 1.00 12.10 O ATOM 530 CB THR A 63 13.413 19.597 55.347 1.00 9.27 C ATOM 531 OG1 THR A 63 13.174 19.594 53.930 1.00 10.40 O ATOM 532 CG2 THR A 63 12.373 20.466 56.088 1.00 10.59 C ATOM 0 H THR A 63 15.985 18.615 55.100 1.00 10.24 H new ATOM 0 HA THR A 63 14.847 21.079 55.327 1.00 9.30 H new ATOM 0 HB THR A 63 13.334 18.689 55.679 1.00 9.27 H new ATOM 0 HG1 THR A 63 13.587 18.953 53.577 1.00 10.40 H new ATOM 0 HG21 THR A 63 11.483 20.120 55.920 1.00 10.59 H new ATOM 0 HG22 THR A 63 12.553 20.445 57.041 1.00 10.59 H new ATOM 0 HG23 THR A 63 12.429 21.380 55.769 1.00 10.59 H new ATOM 533 N LEU A 64 15.304 21.244 57.697 1.00 8.12 N ATOM 534 CA LEU A 64 15.629 21.324 59.109 1.00 8.17 C ATOM 535 C LEU A 64 14.414 21.816 59.858 1.00 13.74 C ATOM 536 O LEU A 64 13.885 22.875 59.560 1.00 13.30 O ATOM 537 CB LEU A 64 16.792 22.322 59.307 1.00 8.55 C ATOM 538 CG LEU A 64 18.098 22.015 58.548 1.00 10.37 C ATOM 539 CD1 LEU A 64 18.078 22.552 57.125 1.00 10.74 C ATOM 540 CD2 LEU A 64 19.248 22.746 59.221 1.00 15.06 C ATOM 0 H LEU A 64 15.198 22.004 57.308 1.00 8.12 H new ATOM 0 HA LEU A 64 15.892 20.451 59.441 1.00 8.17 H new ATOM 0 HB2 LEU A 64 16.485 23.203 59.040 1.00 8.55 H new ATOM 0 HB3 LEU A 64 16.995 22.368 60.254 1.00 8.55 H new ATOM 0 HG LEU A 64 18.195 21.050 58.548 1.00 10.37 H new ATOM 0 HD11 LEU A 64 18.916 22.337 56.686 1.00 10.74 H new ATOM 0 HD12 LEU A 64 17.344 22.147 56.636 1.00 10.74 H new ATOM 0 HD13 LEU A 64 17.961 23.515 57.144 1.00 10.74 H new ATOM 0 HD21 LEU A 64 20.073 22.557 58.748 1.00 15.06 H new ATOM 0 HD22 LEU A 64 19.078 23.701 59.205 1.00 15.06 H new ATOM 0 HD23 LEU A 64 19.327 22.448 60.141 1.00 15.06 H new ATOM 541 N THR A 65 14.003 21.072 60.879 1.00 10.85 N ATOM 542 CA THR A 65 12.837 21.417 61.719 1.00 9.26 C ATOM 543 C THR A 65 13.283 21.676 63.165 1.00 11.14 C ATOM 544 O THR A 65 13.974 20.813 63.750 1.00 10.65 O ATOM 545 CB THR A 65 11.802 20.258 61.660 1.00 11.38 C ATOM 546 OG1 THR A 65 11.434 20.060 60.295 1.00 12.60 O ATOM 547 CG2 THR A 65 10.569 20.612 62.500 1.00 14.49 C ATOM 0 H THR A 65 14.392 20.342 61.114 1.00 10.85 H new ATOM 0 HA THR A 65 12.423 22.227 61.383 1.00 9.26 H new ATOM 0 HB THR A 65 12.187 19.444 62.020 1.00 11.38 H new ATOM 0 HG1 THR A 65 11.907 19.450 59.963 1.00 12.60 H new ATOM 0 HG21 THR A 65 9.929 19.884 62.458 1.00 14.49 H new ATOM 0 HG22 THR A 65 10.835 20.755 63.422 1.00 14.49 H new ATOM 0 HG23 THR A 65 10.162 21.421 62.152 1.00 14.49 H new ATOM 548 N MET A 66 12.962 22.866 63.718 1.00 8.91 N ATOM 549 CA MET A 66 13.371 23.159 65.100 1.00 7.69 C ATOM 550 C MET A 66 12.579 24.318 65.642 1.00 12.37 C ATOM 551 O MET A 66 12.003 25.124 64.872 1.00 11.61 O ATOM 552 CB MET A 66 14.859 23.572 65.163 1.00 10.30 C ATOM 553 CG MET A 66 15.126 24.919 64.510 1.00 13.61 C ATOM 554 SD MET A 66 16.892 25.098 64.092 1.00 18.46 S ATOM 555 CE MET A 66 16.763 24.589 62.368 1.00 16.85 C ATOM 0 H MET A 66 12.524 23.492 63.322 1.00 8.91 H new ATOM 0 HA MET A 66 13.219 22.353 65.618 1.00 7.69 H new ATOM 0 HB2 MET A 66 15.142 23.605 66.090 1.00 10.30 H new ATOM 0 HB3 MET A 66 15.397 22.893 64.726 1.00 10.30 H new ATOM 0 HG2 MET A 66 14.589 25.006 63.707 1.00 13.61 H new ATOM 0 HG3 MET A 66 14.857 25.633 65.110 1.00 13.61 H new ATOM 0 HE1 MET A 66 17.640 24.620 61.955 1.00 16.85 H new ATOM 0 HE2 MET A 66 16.416 23.684 62.323 1.00 16.85 H new ATOM 0 HE3 MET A 66 16.163 25.189 61.897 1.00 16.85 H new ATOM 556 N GLU A 67 12.614 24.413 66.971 1.00 10.01 N ATOM 557 CA GLU A 67 11.912 25.517 67.609 1.00 10.89 C ATOM 558 C GLU A 67 12.563 26.852 67.313 1.00 13.49 C ATOM 559 O GLU A 67 13.773 26.979 67.094 1.00 13.84 O ATOM 560 CB GLU A 67 12.028 25.387 69.135 1.00 12.31 C ATOM 561 CG GLU A 67 11.111 24.269 69.633 1.00 19.31 C ATOM 562 CD GLU A 67 9.717 24.797 69.821 1.00 30.14 C ATOM 563 OE1 GLU A 67 9.446 25.760 70.506 1.00 26.23 O ATOM 564 OE2 GLU A 67 8.825 24.155 69.132 1.00 23.51 O ATOM 0 H GLU A 67 13.021 23.871 67.500 1.00 10.01 H new ATOM 0 HA GLU A 67 11.001 25.482 67.277 1.00 10.89 H new ATOM 0 HB2 GLU A 67 12.946 25.197 69.383 1.00 12.31 H new ATOM 0 HB3 GLU A 67 11.788 26.226 69.558 1.00 12.31 H new ATOM 0 HG2 GLU A 67 11.105 23.537 68.997 1.00 19.31 H new ATOM 0 HG3 GLU A 67 11.447 23.914 70.471 1.00 19.31 H new ATOM 565 N ASP A 68 11.746 27.888 67.334 1.00 10.39 N ATOM 566 CA ASP A 68 12.258 29.243 67.140 1.00 10.53 C ATOM 567 C ASP A 68 13.496 29.560 67.987 1.00 14.77 C ATOM 568 O ASP A 68 14.481 30.108 67.490 1.00 14.74 O ATOM 569 CB ASP A 68 11.124 30.202 67.497 1.00 11.94 C ATOM 570 CG ASP A 68 11.495 31.647 67.219 1.00 19.20 C ATOM 571 OD1 ASP A 68 11.965 32.029 66.156 1.00 18.17 O ATOM 572 OD2 ASP A 68 11.251 32.433 68.235 1.00 19.28 O ATOM 0 H ASP A 68 10.897 27.836 67.458 1.00 10.39 H new ATOM 0 HA ASP A 68 12.544 29.336 66.218 1.00 10.53 H new ATOM 0 HB2 ASP A 68 10.332 29.969 66.989 1.00 11.94 H new ATOM 0 HB3 ASP A 68 10.899 30.101 68.435 1.00 11.94 H new ATOM 573 N ASP A 69 13.474 29.235 69.291 1.00 12.72 N ATOM 574 CA ASP A 69 14.613 29.540 70.135 1.00 12.86 C ATOM 575 C ASP A 69 15.868 28.826 69.709 1.00 14.41 C ATOM 576 O ASP A 69 16.954 29.353 69.883 1.00 14.06 O ATOM 577 CB ASP A 69 14.315 29.003 71.530 1.00 16.77 C ATOM 578 CG ASP A 69 13.316 29.830 72.308 1.00 49.83 C ATOM 579 OD1 ASP A 69 13.024 30.977 72.010 1.00 54.55 O ATOM 580 OD2 ASP A 69 12.807 29.196 73.350 1.00 63.43 O ATOM 0 H ASP A 69 12.818 28.846 69.688 1.00 12.72 H new ATOM 0 HA ASP A 69 14.749 30.499 70.089 1.00 12.86 H new ATOM 0 HB2 ASP A 69 13.979 28.096 71.452 1.00 16.77 H new ATOM 0 HB3 ASP A 69 15.143 28.957 72.032 1.00 16.77 H new ATOM 581 N ILE A 70 15.699 27.608 69.160 1.00 12.15 N ATOM 582 CA ILE A 70 16.857 26.832 68.713 1.00 12.07 C ATOM 583 C ILE A 70 17.460 27.450 67.469 1.00 14.15 C ATOM 584 O ILE A 70 18.675 27.629 67.337 1.00 13.99 O ATOM 585 CB ILE A 70 16.517 25.350 68.506 1.00 13.57 C ATOM 586 CG1 ILE A 70 16.056 24.674 69.803 1.00 14.77 C ATOM 587 CG2 ILE A 70 17.719 24.614 67.909 1.00 14.22 C ATOM 588 CD1 ILE A 70 17.007 24.879 70.964 1.00 20.70 C ATOM 0 H ILE A 70 14.937 27.226 69.042 1.00 12.15 H new ATOM 0 HA ILE A 70 17.522 26.862 69.418 1.00 12.07 H new ATOM 0 HB ILE A 70 15.774 25.304 67.884 1.00 13.57 H new ATOM 0 HG12 ILE A 70 15.182 25.018 70.046 1.00 14.77 H new ATOM 0 HG13 ILE A 70 15.952 23.723 69.644 1.00 14.77 H new ATOM 0 HG21 ILE A 70 17.495 23.679 67.782 1.00 14.22 H new ATOM 0 HG22 ILE A 70 17.949 25.010 67.054 1.00 14.22 H new ATOM 0 HG23 ILE A 70 18.475 24.686 68.512 1.00 14.22 H new ATOM 0 HD11 ILE A 70 16.660 24.429 71.750 1.00 20.70 H new ATOM 0 HD12 ILE A 70 17.876 24.512 70.739 1.00 20.70 H new ATOM 0 HD13 ILE A 70 17.095 25.828 71.147 1.00 20.70 H new ATOM 589 N MET A 71 16.603 27.785 66.532 1.00 11.29 N ATOM 590 CA MET A 71 17.093 28.460 65.321 1.00 10.94 C ATOM 591 C MET A 71 17.838 29.752 65.716 1.00 14.72 C ATOM 592 O MET A 71 18.900 30.054 65.154 1.00 14.00 O ATOM 593 CB MET A 71 15.959 28.803 64.333 1.00 12.14 C ATOM 594 CG MET A 71 16.424 29.530 63.069 1.00 14.54 C ATOM 595 SD MET A 71 17.376 28.412 62.006 1.00 16.83 S ATOM 596 CE MET A 71 18.652 29.466 61.319 1.00 16.28 C ATOM 0 H MET A 71 15.755 27.642 66.561 1.00 11.29 H new ATOM 0 HA MET A 71 17.693 27.845 64.871 1.00 10.94 H new ATOM 0 HB2 MET A 71 15.510 27.983 64.075 1.00 12.14 H new ATOM 0 HB3 MET A 71 15.303 29.354 64.788 1.00 12.14 H new ATOM 0 HG2 MET A 71 15.656 29.870 62.584 1.00 14.54 H new ATOM 0 HG3 MET A 71 16.968 30.296 63.311 1.00 14.54 H new ATOM 0 HE1 MET A 71 19.219 28.946 60.728 1.00 16.28 H new ATOM 0 HE2 MET A 71 18.241 30.188 60.819 1.00 16.28 H new ATOM 0 HE3 MET A 71 19.188 29.836 62.038 1.00 16.28 H new ATOM 597 N PHE A 72 17.295 30.510 66.685 1.00 10.40 N ATOM 598 CA PHE A 72 17.954 31.733 67.098 1.00 10.93 C ATOM 599 C PHE A 72 19.367 31.447 67.648 1.00 13.84 C ATOM 600 O PHE A 72 20.388 32.087 67.327 1.00 13.07 O ATOM 601 CB PHE A 72 17.080 32.415 68.172 1.00 12.02 C ATOM 602 CG PHE A 72 17.682 33.732 68.529 1.00 14.80 C ATOM 603 CD1 PHE A 72 17.618 34.796 67.636 1.00 19.35 C ATOM 604 CD2 PHE A 72 18.374 33.879 69.731 1.00 19.11 C ATOM 605 CE1 PHE A 72 18.216 36.012 67.975 1.00 22.01 C ATOM 606 CE2 PHE A 72 18.987 35.082 70.073 1.00 21.84 C ATOM 607 CZ PHE A 72 18.887 36.154 69.191 1.00 18.97 C ATOM 0 H PHE A 72 16.563 30.329 67.099 1.00 10.40 H new ATOM 0 HA PHE A 72 18.059 32.319 66.332 1.00 10.93 H new ATOM 0 HB2 PHE A 72 16.177 32.539 67.839 1.00 12.02 H new ATOM 0 HB3 PHE A 72 17.017 31.852 68.959 1.00 12.02 H new ATOM 0 HD1 PHE A 72 17.181 34.699 66.821 1.00 19.35 H new ATOM 0 HD2 PHE A 72 18.427 33.158 70.317 1.00 19.11 H new ATOM 0 HE1 PHE A 72 18.167 36.731 67.387 1.00 22.01 H new ATOM 0 HE2 PHE A 72 19.453 35.167 70.873 1.00 21.84 H new ATOM 0 HZ PHE A 72 19.270 36.972 69.414 1.00 18.97 H new ATOM 608 N ALA A 73 19.419 30.442 68.527 1.00 12.33 N ATOM 609 CA ALA A 73 20.671 30.050 69.139 1.00 13.06 C ATOM 610 C ALA A 73 21.728 29.577 68.147 1.00 15.92 C ATOM 611 O ALA A 73 22.921 29.900 68.289 1.00 15.16 O ATOM 612 CB ALA A 73 20.499 28.978 70.210 1.00 13.37 C ATOM 0 H ALA A 73 18.737 29.981 68.776 1.00 12.33 H new ATOM 0 HA ALA A 73 20.985 30.871 69.549 1.00 13.06 H new ATOM 0 HB1 ALA A 73 21.365 28.753 70.585 1.00 13.37 H new ATOM 0 HB2 ALA A 73 19.919 29.312 70.912 1.00 13.37 H new ATOM 0 HB3 ALA A 73 20.103 28.186 69.814 1.00 13.37 H new ATOM 613 N ILE A 74 21.320 28.777 67.168 1.00 12.20 N ATOM 614 CA ILE A 74 22.323 28.314 66.240 1.00 12.81 C ATOM 615 C ILE A 74 22.750 29.456 65.330 1.00 16.28 C ATOM 616 O ILE A 74 23.938 29.658 65.060 1.00 14.65 O ATOM 617 CB ILE A 74 21.727 27.210 65.382 1.00 16.16 C ATOM 618 CG1 ILE A 74 21.458 25.969 66.215 1.00 16.15 C ATOM 619 CG2 ILE A 74 22.609 26.892 64.182 1.00 18.30 C ATOM 620 CD1 ILE A 74 20.674 24.956 65.365 1.00 15.77 C ATOM 0 H ILE A 74 20.515 28.507 67.032 1.00 12.20 H new ATOM 0 HA ILE A 74 23.090 27.986 66.734 1.00 12.81 H new ATOM 0 HB ILE A 74 20.879 27.530 65.035 1.00 16.16 H new ATOM 0 HG12 ILE A 74 22.294 25.579 66.515 1.00 16.15 H new ATOM 0 HG13 ILE A 74 20.953 26.202 67.010 1.00 16.15 H new ATOM 0 HG21 ILE A 74 22.200 26.186 63.658 1.00 18.30 H new ATOM 0 HG22 ILE A 74 22.707 27.686 63.633 1.00 18.30 H new ATOM 0 HG23 ILE A 74 23.482 26.602 64.490 1.00 18.30 H new ATOM 0 HD11 ILE A 74 20.498 24.160 65.890 1.00 15.77 H new ATOM 0 HD12 ILE A 74 19.833 25.350 65.085 1.00 15.77 H new ATOM 0 HD13 ILE A 74 21.195 24.718 64.582 1.00 15.77 H new ATOM 621 N GLY A 75 21.766 30.219 64.851 1.00 13.92 N ATOM 622 CA GLY A 75 22.058 31.305 63.944 1.00 14.12 C ATOM 623 C GLY A 75 22.920 32.428 64.517 1.00 19.60 C ATOM 624 O GLY A 75 23.536 33.182 63.753 1.00 21.45 O ATOM 0 H GLY A 75 20.933 30.119 65.042 1.00 13.92 H new ATOM 0 HA2 GLY A 75 22.505 30.942 63.163 1.00 14.12 H new ATOM 0 HA3 GLY A 75 21.219 31.686 63.640 1.00 14.12 H new ATOM 625 N THR A 76 22.947 32.588 65.847 1.00 14.97 N ATOM 626 CA THR A 76 23.731 33.615 66.491 1.00 15.56 C ATOM 627 C THR A 76 25.066 33.051 66.930 1.00 19.81 C ATOM 628 O THR A 76 25.881 33.742 67.520 1.00 22.27 O ATOM 629 CB THR A 76 22.981 34.241 67.660 1.00 19.94 C ATOM 630 OG1 THR A 76 22.686 33.265 68.618 1.00 19.41 O ATOM 631 CG2 THR A 76 21.721 34.952 67.190 1.00 19.02 C ATOM 0 H THR A 76 22.503 32.094 66.393 1.00 14.97 H new ATOM 0 HA THR A 76 23.893 34.323 65.848 1.00 15.56 H new ATOM 0 HB THR A 76 23.552 34.910 68.069 1.00 19.94 H new ATOM 0 HG1 THR A 76 22.022 32.816 68.366 1.00 19.41 H new ATOM 0 HG21 THR A 76 21.265 35.340 67.953 1.00 19.02 H new ATOM 0 HG22 THR A 76 21.960 35.654 66.565 1.00 19.02 H new ATOM 0 HG23 THR A 76 21.134 34.316 66.752 1.00 19.02 H new ATOM 632 N GLY A 77 25.257 31.771 66.665 1.00 17.30 N ATOM 633 CA GLY A 77 26.492 31.074 66.956 1.00 16.86 C ATOM 634 C GLY A 77 26.632 30.618 68.379 1.00 20.51 C ATOM 635 O GLY A 77 27.705 30.212 68.793 1.00 21.77 O ATOM 0 H GLY A 77 24.657 31.272 66.302 1.00 17.30 H new ATOM 0 HA2 GLY A 77 26.559 30.301 66.373 1.00 16.86 H new ATOM 0 HA3 GLY A 77 27.237 31.657 66.741 1.00 16.86 H new ATOM 636 N ALA A 78 25.567 30.683 69.135 1.00 14.86 N ATOM 637 CA ALA A 78 25.669 30.271 70.519 1.00 15.99 C ATOM 638 C ALA A 78 25.574 28.753 70.726 1.00 21.77 C ATOM 639 O ALA A 78 26.119 28.176 71.684 1.00 24.98 O ATOM 640 CB ALA A 78 24.611 31.023 71.327 1.00 16.67 C ATOM 0 H ALA A 78 24.791 30.954 68.882 1.00 14.86 H new ATOM 0 HA ALA A 78 26.557 30.500 70.834 1.00 15.99 H new ATOM 0 HB1 ALA A 78 24.666 30.758 72.258 1.00 16.67 H new ATOM 0 HB2 ALA A 78 24.765 31.978 71.253 1.00 16.67 H new ATOM 0 HB3 ALA A 78 23.729 30.811 70.982 1.00 16.67 H new ATOM 641 N LEU A 79 24.871 28.050 69.842 1.00 15.72 N ATOM 642 CA LEU A 79 24.678 26.611 69.952 1.00 13.69 C ATOM 643 C LEU A 79 25.208 25.918 68.712 1.00 15.49 C ATOM 644 O LEU A 79 24.798 26.223 67.611 1.00 15.74 O ATOM 645 CB LEU A 79 23.146 26.392 70.078 1.00 13.67 C ATOM 646 CG LEU A 79 22.709 24.921 70.116 1.00 18.60 C ATOM 647 CD1 LEU A 79 23.332 24.183 71.319 1.00 18.47 C ATOM 648 CD2 LEU A 79 21.174 24.889 70.177 1.00 16.32 C ATOM 0 H LEU A 79 24.490 28.400 69.155 1.00 15.72 H new ATOM 0 HA LEU A 79 25.152 26.245 70.715 1.00 13.69 H new ATOM 0 HB2 LEU A 79 22.834 26.830 70.885 1.00 13.67 H new ATOM 0 HB3 LEU A 79 22.707 26.828 69.331 1.00 13.67 H new ATOM 0 HG LEU A 79 23.020 24.461 69.320 1.00 18.60 H new ATOM 0 HD11 LEU A 79 23.040 23.258 71.318 1.00 18.47 H new ATOM 0 HD12 LEU A 79 24.299 24.216 71.254 1.00 18.47 H new ATOM 0 HD13 LEU A 79 23.049 24.610 72.143 1.00 18.47 H new ATOM 0 HD21 LEU A 79 20.870 23.968 70.202 1.00 16.32 H new ATOM 0 HD22 LEU A 79 20.872 25.350 70.975 1.00 16.32 H new ATOM 0 HD23 LEU A 79 20.810 25.328 69.393 1.00 16.32 H new ATOM 649 N PRO A 80 26.132 24.967 68.861 1.00 15.77 N ATOM 650 CA PRO A 80 26.615 24.278 67.675 1.00 14.30 C ATOM 651 C PRO A 80 25.528 23.377 67.126 1.00 16.21 C ATOM 652 O PRO A 80 24.785 22.713 67.857 1.00 15.75 O ATOM 653 CB PRO A 80 27.785 23.401 68.141 1.00 16.38 C ATOM 654 CG PRO A 80 28.207 23.951 69.494 1.00 19.09 C ATOM 655 CD PRO A 80 27.006 24.707 70.062 1.00 15.40 C ATOM 0 HA PRO A 80 26.877 24.909 66.986 1.00 14.30 H new ATOM 0 HB2 PRO A 80 27.516 22.472 68.212 1.00 16.38 H new ATOM 0 HB3 PRO A 80 28.519 23.436 67.508 1.00 16.38 H new ATOM 0 HG2 PRO A 80 28.473 23.233 70.089 1.00 19.09 H new ATOM 0 HG3 PRO A 80 28.972 24.541 69.402 1.00 19.09 H new ATOM 0 HD2 PRO A 80 26.541 24.182 70.732 1.00 15.40 H new ATOM 0 HD3 PRO A 80 27.278 25.535 70.489 1.00 15.40 H new ATOM 656 N ALA A 81 25.432 23.340 65.811 1.00 15.13 N ATOM 657 CA ALA A 81 24.428 22.484 65.191 1.00 16.14 C ATOM 658 C ALA A 81 24.496 20.999 65.580 1.00 16.82 C ATOM 659 O ALA A 81 23.477 20.306 65.786 1.00 17.56 O ATOM 660 CB ALA A 81 24.481 22.636 63.663 1.00 17.40 C ATOM 0 H ALA A 81 25.923 23.789 65.266 1.00 15.13 H new ATOM 0 HA ALA A 81 23.578 22.794 65.541 1.00 16.14 H new ATOM 0 HB1 ALA A 81 23.811 22.064 63.257 1.00 17.40 H new ATOM 0 HB2 ALA A 81 24.306 23.559 63.423 1.00 17.40 H new ATOM 0 HB3 ALA A 81 25.360 22.381 63.343 1.00 17.40 H new ATOM 661 N LYS A 82 25.702 20.444 65.597 1.00 12.86 N ATOM 662 CA LYS A 82 25.817 19.041 65.968 1.00 13.50 C ATOM 663 C LYS A 82 25.363 18.757 67.421 1.00 16.54 C ATOM 664 O LYS A 82 24.823 17.700 67.706 1.00 18.19 O ATOM 665 CB LYS A 82 27.226 18.598 65.747 1.00 16.58 C ATOM 666 CG LYS A 82 27.476 18.582 64.251 1.00 19.08 C ATOM 667 CD LYS A 82 28.598 17.615 63.951 1.00 29.05 C ATOM 668 CE LYS A 82 29.160 17.750 62.549 1.00 30.21 C ATOM 669 NZ LYS A 82 30.205 18.773 62.475 1.00 32.65 N ATOM 0 H LYS A 82 26.439 20.843 65.405 1.00 12.86 H new ATOM 0 HA LYS A 82 25.215 18.531 65.404 1.00 13.50 H new ATOM 0 HB2 LYS A 82 27.845 19.200 66.189 1.00 16.58 H new ATOM 0 HB3 LYS A 82 27.369 17.716 66.125 1.00 16.58 H new ATOM 0 HG2 LYS A 82 26.671 18.318 63.779 1.00 19.08 H new ATOM 0 HG3 LYS A 82 27.708 19.471 63.940 1.00 19.08 H new ATOM 0 HD2 LYS A 82 29.313 17.752 64.592 1.00 29.05 H new ATOM 0 HD3 LYS A 82 28.275 16.709 64.076 1.00 29.05 H new ATOM 0 HE2 LYS A 82 29.522 16.897 62.263 1.00 30.21 H new ATOM 0 HE3 LYS A 82 28.444 17.975 61.934 1.00 30.21 H new ATOM 0 HZ1 LYS A 82 30.511 18.825 61.641 1.00 32.65 H new ATOM 0 HZ2 LYS A 82 29.868 19.560 62.717 1.00 32.65 H new ATOM 0 HZ3 LYS A 82 30.872 18.556 63.023 1.00 32.65 H new ATOM 670 N GLU A 83 25.552 19.693 68.336 1.00 14.38 N ATOM 671 CA GLU A 83 25.079 19.547 69.693 1.00 15.28 C ATOM 672 C GLU A 83 23.537 19.615 69.706 1.00 17.52 C ATOM 673 O GLU A 83 22.900 18.823 70.402 1.00 16.65 O ATOM 674 CB GLU A 83 25.720 20.659 70.532 1.00 17.92 C ATOM 675 CG GLU A 83 25.213 20.745 71.976 1.00 37.67 C ATOM 676 CD GLU A 83 26.072 21.670 72.811 1.00 58.79 C ATOM 677 OE1 GLU A 83 27.228 21.882 72.516 1.00 28.29 O ATOM 678 OE2 GLU A 83 25.460 22.243 73.844 1.00 47.36 O ATOM 0 H GLU A 83 25.961 20.434 68.183 1.00 14.38 H new ATOM 0 HA GLU A 83 25.329 18.689 70.071 1.00 15.28 H new ATOM 0 HB2 GLU A 83 26.680 20.523 70.547 1.00 17.92 H new ATOM 0 HB3 GLU A 83 25.560 21.510 70.095 1.00 17.92 H new ATOM 0 HG2 GLU A 83 24.296 21.062 71.980 1.00 37.67 H new ATOM 0 HG3 GLU A 83 25.209 19.860 72.372 1.00 37.67 H new ATOM 679 N ALA A 84 22.923 20.531 68.912 1.00 14.23 N ATOM 680 CA ALA A 84 21.467 20.599 68.830 1.00 13.97 C ATOM 681 C ALA A 84 20.913 19.243 68.382 1.00 17.08 C ATOM 682 O ALA A 84 19.900 18.750 68.926 1.00 17.22 O ATOM 683 CB ALA A 84 21.063 21.628 67.797 1.00 14.52 C ATOM 0 H ALA A 84 23.338 21.107 68.426 1.00 14.23 H new ATOM 0 HA ALA A 84 21.117 20.838 69.703 1.00 13.97 H new ATOM 0 HB1 ALA A 84 20.095 21.671 67.744 1.00 14.52 H new ATOM 0 HB2 ALA A 84 21.412 22.497 68.052 1.00 14.52 H new ATOM 0 HB3 ALA A 84 21.422 21.377 66.932 1.00 14.52 H new ATOM 684 N MET A 85 21.603 18.622 67.397 1.00 13.57 N ATOM 685 CA MET A 85 21.168 17.321 66.910 1.00 15.49 C ATOM 686 C MET A 85 21.329 16.211 67.948 1.00 21.17 C ATOM 687 O MET A 85 20.453 15.353 68.091 1.00 20.30 O ATOM 688 CB MET A 85 21.945 16.906 65.654 1.00 17.24 C ATOM 689 CG MET A 85 21.555 17.796 64.483 1.00 19.32 C ATOM 690 SD MET A 85 22.518 17.414 62.976 1.00 23.83 S ATOM 691 CE MET A 85 21.633 15.960 62.411 1.00 21.54 C ATOM 0 H MET A 85 22.306 18.939 67.016 1.00 13.57 H new ATOM 0 HA MET A 85 20.225 17.428 66.708 1.00 15.49 H new ATOM 0 HB2 MET A 85 22.899 16.973 65.818 1.00 17.24 H new ATOM 0 HB3 MET A 85 21.759 15.978 65.441 1.00 17.24 H new ATOM 0 HG2 MET A 85 20.609 17.687 64.297 1.00 19.32 H new ATOM 0 HG3 MET A 85 21.691 18.725 64.725 1.00 19.32 H new ATOM 0 HE1 MET A 85 22.039 15.631 61.594 1.00 21.54 H new ATOM 0 HE2 MET A 85 21.674 15.271 63.092 1.00 21.54 H new ATOM 0 HE3 MET A 85 20.706 16.191 62.241 1.00 21.54 H new ATOM 692 N ALA A 86 22.452 16.229 68.668 1.00 17.16 N ATOM 693 CA ALA A 86 22.670 15.226 69.674 1.00 17.07 C ATOM 694 C ALA A 86 21.653 15.335 70.824 1.00 21.53 C ATOM 695 O ALA A 86 21.231 14.347 71.406 1.00 23.14 O ATOM 696 CB ALA A 86 24.107 15.382 70.122 1.00 16.85 C ATOM 0 H ALA A 86 23.082 16.808 68.583 1.00 17.16 H new ATOM 0 HA ALA A 86 22.530 14.333 69.322 1.00 17.07 H new ATOM 0 HB1 ALA A 86 24.306 14.723 70.806 1.00 16.85 H new ATOM 0 HB2 ALA A 86 24.698 15.250 69.365 1.00 16.85 H new ATOM 0 HB3 ALA A 86 24.239 16.272 70.483 1.00 16.85 H new ATOM 697 N GLN A 87 21.210 16.533 71.184 1.00 15.97 N ATOM 698 CA GLN A 87 20.263 16.738 72.265 1.00 16.15 C ATOM 699 C GLN A 87 18.812 16.703 71.843 1.00 19.66 C ATOM 700 O GLN A 87 17.932 17.129 72.590 1.00 19.92 O ATOM 701 CB GLN A 87 20.578 18.060 72.951 1.00 17.19 C ATOM 702 CG GLN A 87 21.980 17.951 73.574 1.00 18.50 C ATOM 703 CD GLN A 87 22.501 19.255 74.128 1.00 27.96 C ATOM 704 OE1 GLN A 87 21.671 20.287 74.175 1.00 30.30 O flip ATOM 705 NE2 GLN A 87 23.676 19.356 74.505 1.00 28.98 N flip ATOM 0 H GLN A 87 21.457 17.261 70.799 1.00 15.97 H new ATOM 0 HA GLN A 87 20.370 15.990 72.874 1.00 16.15 H new ATOM 0 HB2 GLN A 87 20.547 18.789 72.312 1.00 17.19 H new ATOM 0 HB3 GLN A 87 19.917 18.253 73.635 1.00 17.19 H new ATOM 0 HG2 GLN A 87 21.959 17.292 74.286 1.00 18.50 H new ATOM 0 HG3 GLN A 87 22.599 17.624 72.903 1.00 18.50 H new ATOM 0 HE21 GLN A 87 24.200 18.675 74.467 1.00 28.98 H new ATOM 0 HE22 GLN A 87 23.968 20.107 74.805 1.00 28.98 H new ATOM 706 N ASP A 88 18.610 16.241 70.618 1.00 18.26 N ATOM 707 CA ASP A 88 17.285 16.135 70.043 1.00 21.71 C ATOM 708 C ASP A 88 16.529 17.469 69.945 1.00 23.25 C ATOM 709 O ASP A 88 15.302 17.472 70.081 1.00 23.99 O ATOM 710 CB ASP A 88 16.446 15.006 70.721 1.00 25.28 C ATOM 711 CG ASP A 88 16.995 13.622 70.472 1.00 54.96 C ATOM 712 OD1 ASP A 88 17.462 13.269 69.386 1.00 61.67 O ATOM 713 OD2 ASP A 88 16.917 12.842 71.535 1.00 67.25 O ATOM 0 H ASP A 88 19.242 15.980 70.097 1.00 18.26 H new ATOM 0 HA ASP A 88 17.423 15.872 69.119 1.00 21.71 H new ATOM 0 HB2 ASP A 88 16.412 15.167 71.677 1.00 25.28 H new ATOM 0 HB3 ASP A 88 15.534 15.049 70.394 1.00 25.28 H new ATOM 714 N LYS A 89 17.233 18.586 69.685 1.00 15.52 N ATOM 715 CA LYS A 89 16.588 19.913 69.556 1.00 14.94 C ATOM 716 C LYS A 89 16.370 20.342 68.087 1.00 17.42 C ATOM 717 O LYS A 89 15.798 21.397 67.800 1.00 15.81 O ATOM 718 CB LYS A 89 17.451 21.002 70.180 1.00 17.76 C ATOM 719 CG LYS A 89 17.978 20.680 71.577 1.00 26.46 C ATOM 720 CD LYS A 89 16.995 21.152 72.605 1.00 32.17 C ATOM 721 CE LYS A 89 17.257 20.608 73.998 1.00 52.46 C ATOM 722 NZ LYS A 89 15.993 20.515 74.752 1.00 59.51 N ATOM 0 H LYS A 89 18.086 18.598 69.580 1.00 15.52 H new ATOM 0 HA LYS A 89 15.734 19.817 70.006 1.00 14.94 H new ATOM 0 HB2 LYS A 89 18.206 21.174 69.595 1.00 17.76 H new ATOM 0 HB3 LYS A 89 16.934 21.821 70.224 1.00 17.76 H new ATOM 0 HG2 LYS A 89 18.121 19.725 71.667 1.00 26.46 H new ATOM 0 HG3 LYS A 89 18.837 21.109 71.716 1.00 26.46 H new ATOM 0 HD2 LYS A 89 17.013 22.121 72.637 1.00 32.17 H new ATOM 0 HD3 LYS A 89 16.102 20.894 72.329 1.00 32.17 H new ATOM 0 HE2 LYS A 89 17.671 19.733 73.939 1.00 52.46 H new ATOM 0 HE3 LYS A 89 17.880 21.186 74.467 1.00 52.46 H new ATOM 0 HZ1 LYS A 89 16.156 20.196 75.567 1.00 59.51 H new ATOM 0 HZ2 LYS A 89 15.627 21.323 74.819 1.00 59.51 H new ATOM 0 HZ3 LYS A 89 15.433 19.970 74.327 1.00 59.51 H new ATOM 723 N MET A 90 16.877 19.514 67.172 1.00 14.90 N ATOM 724 CA MET A 90 16.779 19.756 65.743 1.00 16.83 C ATOM 725 C MET A 90 16.630 18.430 64.990 1.00 20.90 C ATOM 726 O MET A 90 17.374 17.475 65.269 1.00 22.09 O ATOM 727 CB MET A 90 18.047 20.513 65.260 1.00 19.43 C ATOM 728 CG MET A 90 18.043 20.710 63.752 1.00 25.72 C ATOM 729 SD MET A 90 19.368 21.816 63.218 1.00 31.97 S ATOM 730 CE MET A 90 20.767 20.676 63.130 1.00 27.35 C ATOM 0 H MET A 90 17.292 18.788 67.372 1.00 14.90 H new ATOM 0 HA MET A 90 15.996 20.299 65.562 1.00 16.83 H new ATOM 0 HB2 MET A 90 18.096 21.376 65.699 1.00 19.43 H new ATOM 0 HB3 MET A 90 18.839 20.017 65.520 1.00 19.43 H new ATOM 0 HG2 MET A 90 18.142 19.851 63.313 1.00 25.72 H new ATOM 0 HG3 MET A 90 17.187 21.073 63.475 1.00 25.72 H new ATOM 0 HE1 MET A 90 21.329 20.911 62.376 1.00 27.35 H new ATOM 0 HE2 MET A 90 21.284 20.734 63.949 1.00 27.35 H new ATOM 0 HE3 MET A 90 20.440 19.770 63.018 1.00 27.35 H new ATOM 731 N GLU A 91 15.706 18.407 64.014 1.00 14.28 N ATOM 732 CA GLU A 91 15.497 17.249 63.167 1.00 14.97 C ATOM 733 C GLU A 91 15.832 17.617 61.710 1.00 16.09 C ATOM 734 O GLU A 91 15.476 18.704 61.261 1.00 14.72 O ATOM 735 CB GLU A 91 14.041 16.778 63.164 1.00 17.83 C ATOM 736 CG GLU A 91 13.592 15.968 64.384 1.00 40.41 C ATOM 737 CD GLU A 91 12.127 15.667 64.188 1.00100.00 C ATOM 738 OE1 GLU A 91 11.489 16.047 63.199 1.00100.00 O ATOM 739 OE2 GLU A 91 11.617 14.976 65.189 1.00100.00 O ATOM 0 H GLU A 91 15.188 19.070 63.834 1.00 14.28 H new ATOM 0 HA GLU A 91 16.065 16.546 63.518 1.00 14.97 H new ATOM 0 HB2 GLU A 91 13.468 17.557 63.087 1.00 17.83 H new ATOM 0 HB3 GLU A 91 13.896 16.240 62.370 1.00 17.83 H new ATOM 0 HG2 GLU A 91 14.105 15.148 64.461 1.00 40.41 H new ATOM 0 HG3 GLU A 91 13.734 16.470 65.202 1.00 40.41 H new ATOM 740 N VAL A 92 16.504 16.720 60.981 1.00 10.81 N ATOM 741 CA VAL A 92 16.852 16.985 59.596 1.00 9.27 C ATOM 742 C VAL A 92 16.419 15.824 58.680 1.00 13.79 C ATOM 743 O VAL A 92 16.676 14.645 58.994 1.00 13.63 O ATOM 744 CB VAL A 92 18.372 17.216 59.444 1.00 13.21 C ATOM 745 CG1 VAL A 92 18.705 17.691 58.006 1.00 12.86 C ATOM 746 CG2 VAL A 92 18.879 18.201 60.504 1.00 13.82 C ATOM 0 H VAL A 92 16.764 15.955 61.276 1.00 10.81 H new ATOM 0 HA VAL A 92 16.379 17.789 59.330 1.00 9.27 H new ATOM 0 HB VAL A 92 18.833 16.375 59.589 1.00 13.21 H new ATOM 0 HG11 VAL A 92 19.661 17.832 57.925 1.00 12.86 H new ATOM 0 HG12 VAL A 92 18.423 17.016 57.369 1.00 12.86 H new ATOM 0 HG13 VAL A 92 18.239 18.522 57.824 1.00 12.86 H new ATOM 0 HG21 VAL A 92 19.834 18.333 60.393 1.00 13.82 H new ATOM 0 HG22 VAL A 92 18.421 19.050 60.402 1.00 13.82 H new ATOM 0 HG23 VAL A 92 18.703 17.844 61.388 1.00 13.82 H new ATOM 747 N ASP A 93 15.748 16.130 57.563 1.00 11.98 N ATOM 748 CA ASP A 93 15.348 15.120 56.590 1.00 11.71 C ATOM 749 C ASP A 93 16.114 15.436 55.321 1.00 13.67 C ATOM 750 O ASP A 93 16.574 16.572 55.152 1.00 11.90 O ATOM 751 CB ASP A 93 13.863 15.142 56.187 1.00 12.70 C ATOM 752 CG ASP A 93 12.948 14.677 57.260 1.00 24.75 C ATOM 753 OD1 ASP A 93 12.018 15.347 57.657 1.00 35.89 O ATOM 754 OD2 ASP A 93 13.243 13.526 57.750 1.00 15.19 O ATOM 0 H ASP A 93 15.514 16.931 57.353 1.00 11.98 H new ATOM 0 HA ASP A 93 15.523 14.257 56.997 1.00 11.71 H new ATOM 0 HB2 ASP A 93 13.618 16.046 55.933 1.00 12.70 H new ATOM 0 HB3 ASP A 93 13.740 14.584 55.403 1.00 12.70 H new ATOM 755 N GLY A 94 16.236 14.452 54.440 1.00 10.94 N ATOM 756 CA GLY A 94 16.888 14.644 53.138 1.00 9.41 C ATOM 757 C GLY A 94 18.362 14.266 53.139 1.00 11.24 C ATOM 758 O GLY A 94 18.762 13.279 53.755 1.00 11.05 O ATOM 0 H GLY A 94 15.946 13.654 54.574 1.00 10.94 H new ATOM 0 HA2 GLY A 94 16.425 14.113 52.471 1.00 9.41 H new ATOM 0 HA3 GLY A 94 16.799 15.573 52.873 1.00 9.41 H new ATOM 759 N GLN A 95 19.167 15.064 52.445 1.00 9.30 N ATOM 760 CA GLN A 95 20.633 14.813 52.367 1.00 10.36 C ATOM 761 C GLN A 95 21.290 15.562 53.501 1.00 12.46 C ATOM 762 O GLN A 95 21.709 16.710 53.410 1.00 12.51 O ATOM 763 CB GLN A 95 21.141 15.234 50.972 1.00 12.33 C ATOM 764 CG GLN A 95 20.388 14.411 49.895 1.00 13.51 C ATOM 765 CD GLN A 95 20.477 14.997 48.482 1.00 23.41 C ATOM 766 OE1 GLN A 95 19.510 15.511 47.837 1.00 23.87 O ATOM 767 NE2 GLN A 95 21.694 14.891 47.986 1.00 22.10 N ATOM 0 H GLN A 95 18.900 15.756 52.010 1.00 9.30 H new ATOM 0 HA GLN A 95 20.853 13.874 52.468 1.00 10.36 H new ATOM 0 HB2 GLN A 95 20.994 16.183 50.833 1.00 12.33 H new ATOM 0 HB3 GLN A 95 22.097 15.082 50.903 1.00 12.33 H new ATOM 0 HG2 GLN A 95 20.745 13.509 49.883 1.00 13.51 H new ATOM 0 HG3 GLN A 95 19.454 14.343 50.148 1.00 13.51 H new ATOM 0 HE21 GLN A 95 22.321 14.536 48.456 1.00 22.10 H new ATOM 0 HE22 GLN A 95 21.861 15.177 47.192 1.00 22.10 H new ATOM 768 N VAL A 96 21.282 14.922 54.648 1.00 10.75 N ATOM 769 CA VAL A 96 21.698 15.553 55.884 1.00 11.53 C ATOM 770 C VAL A 96 23.028 16.278 55.890 1.00 13.01 C ATOM 771 O VAL A 96 23.135 17.400 56.407 1.00 12.62 O ATOM 772 CB VAL A 96 21.585 14.619 57.083 1.00 14.90 C ATOM 773 CG1 VAL A 96 21.987 15.316 58.393 1.00 15.21 C ATOM 774 CG2 VAL A 96 20.133 14.149 57.165 1.00 15.43 C ATOM 0 H VAL A 96 21.034 14.103 54.736 1.00 10.75 H new ATOM 0 HA VAL A 96 21.049 16.269 55.963 1.00 11.53 H new ATOM 0 HB VAL A 96 22.191 13.871 56.966 1.00 14.90 H new ATOM 0 HG11 VAL A 96 21.902 14.692 59.131 1.00 15.21 H new ATOM 0 HG12 VAL A 96 22.906 15.619 58.330 1.00 15.21 H new ATOM 0 HG13 VAL A 96 21.406 16.078 58.546 1.00 15.21 H new ATOM 0 HG21 VAL A 96 20.029 13.551 57.921 1.00 15.43 H new ATOM 0 HG22 VAL A 96 19.550 14.916 57.277 1.00 15.43 H new ATOM 0 HG23 VAL A 96 19.897 13.682 56.348 1.00 15.43 H new ATOM 775 N GLU A 97 24.030 15.599 55.358 1.00 11.49 N ATOM 776 CA GLU A 97 25.383 16.135 55.354 1.00 12.47 C ATOM 777 C GLU A 97 25.508 17.506 54.705 1.00 13.56 C ATOM 778 O GLU A 97 26.444 18.232 55.032 1.00 14.44 O ATOM 779 CB GLU A 97 26.311 15.123 54.692 1.00 14.94 C ATOM 780 CG GLU A 97 26.403 13.836 55.542 1.00 30.15 C ATOM 781 CD GLU A 97 25.356 12.796 55.205 1.00 49.02 C ATOM 782 OE1 GLU A 97 24.294 13.015 54.613 1.00 24.27 O ATOM 783 OE2 GLU A 97 25.724 11.614 55.625 1.00 34.69 O ATOM 0 H GLU A 97 23.950 14.824 54.993 1.00 11.49 H new ATOM 0 HA GLU A 97 25.640 16.277 56.278 1.00 12.47 H new ATOM 0 HB2 GLU A 97 25.984 14.908 53.804 1.00 14.94 H new ATOM 0 HB3 GLU A 97 27.194 15.509 54.583 1.00 14.94 H new ATOM 0 HG2 GLU A 97 27.283 13.445 55.425 1.00 30.15 H new ATOM 0 HG3 GLU A 97 26.320 14.072 56.479 1.00 30.15 H new ATOM 784 N LEU A 98 24.603 17.859 53.776 1.00 9.46 N ATOM 785 CA LEU A 98 24.671 19.176 53.164 1.00 10.56 C ATOM 786 C LEU A 98 24.564 20.314 54.195 1.00 11.37 C ATOM 787 O LEU A 98 25.057 21.419 53.968 1.00 9.74 O ATOM 788 CB LEU A 98 23.538 19.412 52.161 1.00 10.62 C ATOM 789 CG LEU A 98 23.508 18.386 51.039 1.00 13.40 C ATOM 790 CD1 LEU A 98 22.355 18.736 50.090 1.00 13.27 C ATOM 791 CD2 LEU A 98 24.843 18.447 50.318 1.00 14.13 C ATOM 0 H LEU A 98 23.961 17.358 53.499 1.00 9.46 H new ATOM 0 HA LEU A 98 25.535 19.189 52.724 1.00 10.56 H new ATOM 0 HB2 LEU A 98 22.689 19.394 52.630 1.00 10.62 H new ATOM 0 HB3 LEU A 98 23.632 20.298 51.778 1.00 10.62 H new ATOM 0 HG LEU A 98 23.368 17.488 51.378 1.00 13.40 H new ATOM 0 HD11 LEU A 98 22.323 18.090 49.368 1.00 13.27 H new ATOM 0 HD12 LEU A 98 21.517 18.717 50.578 1.00 13.27 H new ATOM 0 HD13 LEU A 98 22.495 19.623 49.723 1.00 13.27 H new ATOM 0 HD21 LEU A 98 24.850 17.800 49.595 1.00 14.13 H new ATOM 0 HD22 LEU A 98 24.975 19.337 49.956 1.00 14.13 H new ATOM 0 HD23 LEU A 98 25.557 18.243 50.942 1.00 14.13 H new ATOM 792 N ILE A 99 23.936 20.081 55.367 1.00 10.73 N ATOM 793 CA ILE A 99 23.798 21.145 56.349 1.00 11.19 C ATOM 794 C ILE A 99 25.118 21.532 56.968 1.00 12.50 C ATOM 795 O ILE A 99 25.313 22.693 57.321 1.00 11.30 O ATOM 796 CB ILE A 99 22.712 20.921 57.391 1.00 14.80 C ATOM 797 CG1 ILE A 99 23.159 19.916 58.458 1.00 13.95 C ATOM 798 CG2 ILE A 99 21.401 20.519 56.696 1.00 13.14 C ATOM 799 CD1 ILE A 99 22.387 19.997 59.785 1.00 17.33 C ATOM 0 H ILE A 99 23.594 19.326 55.597 1.00 10.73 H new ATOM 0 HA ILE A 99 23.485 21.906 55.835 1.00 11.19 H new ATOM 0 HB ILE A 99 22.548 21.751 57.866 1.00 14.80 H new ATOM 0 HG12 ILE A 99 23.066 19.020 58.099 1.00 13.95 H new ATOM 0 HG13 ILE A 99 24.102 20.053 58.638 1.00 13.95 H new ATOM 0 HG21 ILE A 99 20.711 20.377 57.363 1.00 13.14 H new ATOM 0 HG22 ILE A 99 21.125 21.226 56.091 1.00 13.14 H new ATOM 0 HG23 ILE A 99 21.538 19.700 56.194 1.00 13.14 H new ATOM 0 HD11 ILE A 99 22.731 19.331 60.401 1.00 17.33 H new ATOM 0 HD12 ILE A 99 22.497 20.880 60.170 1.00 17.33 H new ATOM 0 HD13 ILE A 99 21.445 19.831 59.622 1.00 17.33 H new ATOM 800 N PHE A 100 26.043 20.566 57.051 1.00 11.26 N ATOM 801 CA PHE A 100 27.323 20.878 57.644 1.00 11.58 C ATOM 802 C PHE A 100 28.136 21.867 56.850 1.00 14.06 C ATOM 803 O PHE A 100 29.014 22.546 57.393 1.00 14.15 O ATOM 804 CB PHE A 100 28.126 19.627 57.948 1.00 13.25 C ATOM 805 CG PHE A 100 27.319 18.665 58.779 1.00 14.84 C ATOM 806 CD1 PHE A 100 27.146 17.357 58.338 1.00 17.02 C ATOM 807 CD2 PHE A 100 26.750 19.075 59.986 1.00 17.43 C ATOM 808 CE1 PHE A 100 26.436 16.439 59.109 1.00 19.08 C ATOM 809 CE2 PHE A 100 26.009 18.177 60.759 1.00 20.91 C ATOM 810 CZ PHE A 100 25.865 16.861 60.309 1.00 19.60 C ATOM 0 H PHE A 100 25.945 19.757 56.778 1.00 11.26 H new ATOM 0 HA PHE A 100 27.114 21.316 58.484 1.00 11.58 H new ATOM 0 HB2 PHE A 100 28.394 19.200 57.119 1.00 13.25 H new ATOM 0 HB3 PHE A 100 28.939 19.866 58.420 1.00 13.25 H new ATOM 0 HD1 PHE A 100 27.507 17.093 57.522 1.00 17.02 H new ATOM 0 HD2 PHE A 100 26.865 19.951 60.277 1.00 17.43 H new ATOM 0 HE1 PHE A 100 26.344 15.557 58.827 1.00 19.08 H new ATOM 0 HE2 PHE A 100 25.619 18.450 61.558 1.00 20.91 H new ATOM 0 HZ PHE A 100 25.379 16.255 60.820 1.00 19.60 H new ATOM 811 N LEU A 101 27.841 21.967 55.555 1.00 10.58 N ATOM 812 CA LEU A 101 28.519 22.906 54.704 1.00 10.66 C ATOM 813 C LEU A 101 28.243 24.354 55.102 1.00 15.47 C ATOM 814 O LEU A 101 29.014 25.246 54.746 1.00 15.41 O ATOM 815 CB LEU A 101 28.052 22.722 53.248 1.00 10.75 C ATOM 816 CG LEU A 101 28.297 21.312 52.705 1.00 13.75 C ATOM 817 CD1 LEU A 101 27.766 21.276 51.287 1.00 15.92 C ATOM 818 CD2 LEU A 101 29.799 21.014 52.695 1.00 19.37 C ATOM 0 H LEU A 101 27.245 21.491 55.158 1.00 10.58 H new ATOM 0 HA LEU A 101 29.469 22.732 54.796 1.00 10.66 H new ATOM 0 HB2 LEU A 101 27.105 22.923 53.191 1.00 10.75 H new ATOM 0 HB3 LEU A 101 28.512 23.363 52.684 1.00 10.75 H new ATOM 0 HG LEU A 101 27.854 20.650 53.259 1.00 13.75 H new ATOM 0 HD11 LEU A 101 27.906 20.393 50.911 1.00 15.92 H new ATOM 0 HD12 LEU A 101 26.817 21.479 51.291 1.00 15.92 H new ATOM 0 HD13 LEU A 101 28.234 21.934 50.749 1.00 15.92 H new ATOM 0 HD21 LEU A 101 29.949 20.120 52.350 1.00 19.37 H new ATOM 0 HD22 LEU A 101 30.253 21.659 52.130 1.00 19.37 H new ATOM 0 HD23 LEU A 101 30.147 21.075 53.598 1.00 19.37 H new ATOM 819 N LEU A 102 27.137 24.621 55.820 1.00 12.02 N ATOM 820 CA LEU A 102 26.821 25.977 56.207 1.00 11.04 C ATOM 821 C LEU A 102 27.494 26.477 57.474 1.00 14.19 C ATOM 822 O LEU A 102 27.488 27.687 57.738 1.00 13.69 O ATOM 823 CB LEU A 102 25.306 26.054 56.474 1.00 10.97 C ATOM 824 CG LEU A 102 24.425 25.649 55.294 1.00 14.56 C ATOM 825 CD1 LEU A 102 22.971 25.687 55.748 1.00 14.59 C ATOM 826 CD2 LEU A 102 24.603 26.622 54.145 1.00 14.07 C ATOM 0 H LEU A 102 26.572 24.028 56.083 1.00 12.02 H new ATOM 0 HA LEU A 102 27.139 26.530 55.476 1.00 11.04 H new ATOM 0 HB2 LEU A 102 25.094 25.484 57.230 1.00 10.97 H new ATOM 0 HB3 LEU A 102 25.082 26.962 56.732 1.00 10.97 H new ATOM 0 HG LEU A 102 24.673 24.760 54.996 1.00 14.56 H new ATOM 0 HD11 LEU A 102 22.395 25.432 55.010 1.00 14.59 H new ATOM 0 HD12 LEU A 102 22.845 25.068 56.485 1.00 14.59 H new ATOM 0 HD13 LEU A 102 22.746 26.585 56.038 1.00 14.59 H new ATOM 0 HD21 LEU A 102 24.039 26.354 53.403 1.00 14.07 H new ATOM 0 HD22 LEU A 102 24.354 27.514 54.434 1.00 14.07 H new ATOM 0 HD23 LEU A 102 25.531 26.622 53.862 1.00 14.07 H new ATOM 827 N GLU A 103 28.053 25.558 58.249 1.00 12.42 N ATOM 828 CA GLU A 103 28.638 25.966 59.537 1.00 13.39 C ATOM 829 C GLU A 103 29.727 27.054 59.499 1.00 16.18 C ATOM 830 O GLU A 103 29.728 27.973 60.297 1.00 15.64 O ATOM 831 CB GLU A 103 29.166 24.813 60.426 1.00 16.28 C ATOM 832 CG GLU A 103 28.097 23.803 60.858 1.00 35.75 C ATOM 833 CD GLU A 103 28.600 22.834 61.906 1.00 62.70 C ATOM 834 OE1 GLU A 103 28.584 21.630 61.736 1.00 64.17 O ATOM 835 OE2 GLU A 103 29.033 23.414 63.011 1.00 42.91 O ATOM 0 H GLU A 103 28.108 24.720 58.065 1.00 12.42 H new ATOM 0 HA GLU A 103 27.842 26.351 59.935 1.00 13.39 H new ATOM 0 HB2 GLU A 103 29.864 24.342 59.944 1.00 16.28 H new ATOM 0 HB3 GLU A 103 29.575 25.193 61.219 1.00 16.28 H new ATOM 0 HG2 GLU A 103 27.328 24.281 61.207 1.00 35.75 H new ATOM 0 HG3 GLU A 103 27.794 23.306 60.082 1.00 35.75 H new ATOM 836 N PRO A 104 30.667 26.959 58.593 1.00 15.25 N ATOM 837 CA PRO A 104 31.740 27.958 58.528 1.00 13.94 C ATOM 838 C PRO A 104 31.272 29.318 58.045 1.00 16.31 C ATOM 839 O PRO A 104 32.103 30.228 57.908 1.00 15.62 O ATOM 840 CB PRO A 104 32.756 27.417 57.509 1.00 16.06 C ATOM 841 CG PRO A 104 32.263 26.027 57.094 1.00 20.58 C ATOM 842 CD PRO A 104 30.807 25.897 57.560 1.00 14.90 C ATOM 0 HA PRO A 104 32.100 28.088 59.419 1.00 13.94 H new ATOM 0 HB2 PRO A 104 32.819 28.004 56.740 1.00 16.06 H new ATOM 0 HB3 PRO A 104 33.642 27.366 57.900 1.00 16.06 H new ATOM 0 HG2 PRO A 104 32.325 25.916 56.132 1.00 20.58 H new ATOM 0 HG3 PRO A 104 32.813 25.336 57.495 1.00 20.58 H new ATOM 0 HD2 PRO A 104 30.186 26.030 56.827 1.00 14.90 H new ATOM 0 HD3 PRO A 104 30.628 25.017 57.928 1.00 14.90 H new ATOM 843 N PHE A 105 29.950 29.470 57.788 1.00 10.53 N ATOM 844 CA PHE A 105 29.435 30.754 57.344 1.00 11.26 C ATOM 845 C PHE A 105 28.651 31.488 58.395 1.00 13.53 C ATOM 846 O PHE A 105 28.342 32.688 58.243 1.00 14.02 O ATOM 847 CB PHE A 105 28.627 30.694 56.026 1.00 13.48 C ATOM 848 CG PHE A 105 29.460 30.181 54.905 1.00 15.49 C ATOM 849 CD1 PHE A 105 29.459 28.816 54.609 1.00 18.49 C ATOM 850 CD2 PHE A 105 30.293 31.039 54.180 1.00 19.74 C ATOM 851 CE1 PHE A 105 30.247 28.276 53.589 1.00 20.13 C ATOM 852 CE2 PHE A 105 31.083 30.512 53.152 1.00 22.57 C ATOM 853 CZ PHE A 105 31.070 29.141 52.864 1.00 21.44 C ATOM 0 H PHE A 105 29.361 28.848 57.867 1.00 10.53 H new ATOM 0 HA PHE A 105 30.242 31.262 57.165 1.00 11.26 H new ATOM 0 HB2 PHE A 105 27.853 30.122 56.145 1.00 13.48 H new ATOM 0 HB3 PHE A 105 28.295 31.579 55.807 1.00 13.48 H new ATOM 0 HD1 PHE A 105 28.916 28.248 55.107 1.00 18.49 H new ATOM 0 HD2 PHE A 105 30.322 31.947 54.378 1.00 19.74 H new ATOM 0 HE1 PHE A 105 30.224 27.366 53.398 1.00 20.13 H new ATOM 0 HE2 PHE A 105 31.624 31.080 52.653 1.00 22.57 H new ATOM 0 HZ PHE A 105 31.612 28.805 52.187 1.00 21.44 H new ATOM 854 N ILE A 106 28.319 30.771 59.465 1.00 11.84 N ATOM 855 CA ILE A 106 27.590 31.388 60.563 1.00 13.76 C ATOM 856 C ILE A 106 28.252 32.679 61.097 1.00 17.15 C ATOM 857 O ILE A 106 27.573 33.698 61.346 1.00 15.18 O ATOM 858 CB ILE A 106 27.287 30.384 61.695 1.00 16.27 C ATOM 859 CG1 ILE A 106 26.344 29.288 61.160 1.00 16.72 C ATOM 860 CG2 ILE A 106 26.681 31.097 62.884 1.00 14.85 C ATOM 861 CD1 ILE A 106 26.208 28.098 62.114 1.00 17.21 C ATOM 0 H ILE A 106 28.504 29.938 59.573 1.00 11.84 H new ATOM 0 HA ILE A 106 26.740 31.666 60.187 1.00 13.76 H new ATOM 0 HB ILE A 106 28.111 29.969 61.993 1.00 16.27 H new ATOM 0 HG12 ILE A 106 25.467 29.672 61.002 1.00 16.72 H new ATOM 0 HG13 ILE A 106 26.674 28.974 60.304 1.00 16.72 H new ATOM 0 HG21 ILE A 106 26.496 30.455 63.587 1.00 14.85 H new ATOM 0 HG22 ILE A 106 27.303 31.765 63.213 1.00 14.85 H new ATOM 0 HG23 ILE A 106 25.855 31.529 62.616 1.00 14.85 H new ATOM 0 HD11 ILE A 106 25.606 27.442 61.729 1.00 17.21 H new ATOM 0 HD12 ILE A 106 27.079 27.694 62.254 1.00 17.21 H new ATOM 0 HD13 ILE A 106 25.853 28.403 62.964 1.00 17.21 H new ATOM 862 N ALA A 107 29.587 32.636 61.267 1.00 15.36 N ATOM 863 CA ALA A 107 30.353 33.784 61.791 1.00 17.74 C ATOM 864 C ALA A 107 30.276 35.033 60.919 1.00 19.39 C ATOM 865 O ALA A 107 30.556 36.140 61.416 1.00 19.04 O ATOM 866 CB ALA A 107 31.831 33.411 61.924 1.00 19.26 C ATOM 0 H ALA A 107 30.068 31.947 61.083 1.00 15.36 H new ATOM 0 HA ALA A 107 29.948 33.991 62.648 1.00 17.74 H new ATOM 0 HB1 ALA A 107 32.327 34.170 62.269 1.00 19.26 H new ATOM 0 HB2 ALA A 107 31.922 32.662 62.534 1.00 19.26 H new ATOM 0 HB3 ALA A 107 32.182 33.164 61.054 1.00 19.26 H new ATOM 867 N SER A 108 29.909 34.843 59.633 1.00 15.31 N ATOM 868 CA SER A 108 29.833 35.961 58.691 1.00 14.47 C ATOM 869 C SER A 108 28.526 36.746 58.823 1.00 18.82 C ATOM 870 O SER A 108 28.363 37.802 58.210 1.00 17.66 O ATOM 871 CB SER A 108 30.097 35.538 57.252 1.00 12.88 C ATOM 872 OG SER A 108 28.991 34.771 56.810 1.00 17.13 O ATOM 0 H SER A 108 29.704 34.078 59.298 1.00 15.31 H new ATOM 0 HA SER A 108 30.551 36.565 58.937 1.00 14.47 H new ATOM 0 HB2 SER A 108 30.217 36.317 56.686 1.00 12.88 H new ATOM 0 HB3 SER A 108 30.914 35.018 57.196 1.00 12.88 H new ATOM 0 HG SER A 108 28.974 34.040 57.223 1.00 17.13 H new ATOM 873 N LEU A 109 27.560 36.247 59.619 1.00 15.36 N ATOM 874 CA LEU A 109 26.311 36.988 59.790 1.00 14.08 C ATOM 875 C LEU A 109 26.551 38.215 60.658 1.00 21.16 C ATOM 876 O LEU A 109 27.250 38.186 61.641 1.00 21.87 O ATOM 877 CB LEU A 109 25.188 36.104 60.352 1.00 14.25 C ATOM 878 CG LEU A 109 24.833 34.934 59.440 1.00 17.64 C ATOM 879 CD1 LEU A 109 23.638 34.200 60.043 1.00 18.92 C ATOM 880 CD2 LEU A 109 24.544 35.372 57.991 1.00 14.04 C ATOM 0 H LEU A 109 27.611 35.506 60.052 1.00 15.36 H new ATOM 0 HA LEU A 109 26.012 37.283 58.916 1.00 14.08 H new ATOM 0 HB2 LEU A 109 25.457 35.761 61.219 1.00 14.25 H new ATOM 0 HB3 LEU A 109 24.397 36.647 60.495 1.00 14.25 H new ATOM 0 HG LEU A 109 25.599 34.342 59.385 1.00 17.64 H new ATOM 0 HD11 LEU A 109 23.398 33.451 59.475 1.00 18.92 H new ATOM 0 HD12 LEU A 109 23.871 33.874 60.926 1.00 18.92 H new ATOM 0 HD13 LEU A 109 22.885 34.808 60.111 1.00 18.92 H new ATOM 0 HD21 LEU A 109 24.325 34.594 57.455 1.00 14.04 H new ATOM 0 HD22 LEU A 109 23.797 35.991 57.983 1.00 14.04 H new ATOM 0 HD23 LEU A 109 25.328 35.807 57.622 1.00 14.04 H new ATOM 881 N LYS A 110 26.044 39.356 60.254 1.00 21.28 N ATOM 882 CA LYS A 110 26.346 40.500 61.060 1.00 31.23 C ATOM 883 C LYS A 110 25.152 40.863 61.944 1.00 44.09 C ATOM 884 O LYS A 110 24.346 41.680 61.462 1.00 36.95 O ATOM 885 CB LYS A 110 26.764 41.674 60.203 1.00 34.76 C ATOM 886 CG LYS A 110 28.221 41.542 59.793 1.00 65.96 C ATOM 887 CD LYS A 110 28.983 42.862 59.875 1.00 82.34 C ATOM 888 CE LYS A 110 30.189 42.921 58.946 1.00 69.66 C ATOM 889 NZ LYS A 110 29.977 42.228 57.666 1.00 46.84 N ATOM 890 OXT LYS A 110 25.163 40.267 63.096 1.00 63.01 O ATOM 0 H LYS A 110 25.553 39.485 59.560 1.00 21.28 H new ATOM 0 HA LYS A 110 27.093 40.276 61.636 1.00 31.23 H new ATOM 0 HB2 LYS A 110 26.203 41.721 59.413 1.00 34.76 H new ATOM 0 HB3 LYS A 110 26.634 42.501 60.693 1.00 34.76 H new ATOM 0 HG2 LYS A 110 28.655 40.888 60.363 1.00 65.96 H new ATOM 0 HG3 LYS A 110 28.267 41.203 58.885 1.00 65.96 H new ATOM 0 HD2 LYS A 110 28.380 43.590 59.658 1.00 82.34 H new ATOM 0 HD3 LYS A 110 29.279 43.001 60.788 1.00 82.34 H new ATOM 0 HE2 LYS A 110 30.408 43.849 58.771 1.00 69.66 H new ATOM 0 HE3 LYS A 110 30.954 42.529 59.395 1.00 69.66 H new ATOM 0 HZ1 LYS A 110 30.608 42.472 57.088 1.00 46.84 H new ATOM 0 HZ2 LYS A 110 30.017 41.348 57.794 1.00 46.84 H new ATOM 0 HZ3 LYS A 110 29.177 42.444 57.340 1.00 46.84 H new TER 891 LYS A 110 HETATM 892 C1 PLM A 200 28.523 30.750 48.688 1.00 20.39 C HETATM 893 O1 PLM A 200 28.528 29.936 47.733 1.00 16.63 O HETATM 894 O2 PLM A 200 29.304 31.735 48.574 1.00 21.17 O HETATM 895 C2 PLM A 200 27.600 30.479 49.775 1.00 27.23 C HETATM 896 C3 PLM A 200 27.687 31.502 50.865 1.00 20.55 C HETATM 897 C4 PLM A 200 26.622 31.200 51.920 1.00 25.31 C HETATM 898 C5 PLM A 200 26.082 32.214 52.907 1.00 25.91 C HETATM 899 C6 PLM A 200 24.860 31.684 53.653 1.00 24.07 C HETATM 900 C7 PLM A 200 25.316 31.464 55.061 1.00 27.98 C HETATM 901 C8 PLM A 200 24.143 31.166 55.968 1.00 26.15 C HETATM 902 C9 PLM A 200 24.717 30.424 57.137 1.00 30.29 C HETATM 903 CA PLM A 200 23.705 30.535 58.249 1.00 27.59 C HETATM 904 CB PLM A 200 22.919 29.241 58.269 1.00 25.02 C HETATM 905 CC PLM A 200 22.351 29.090 59.660 1.00 25.59 C HETATM 906 CD PLM A 200 21.844 27.663 59.842 1.00 37.05 C HETATM 907 CE PLM A 200 22.959 26.651 59.607 1.00 27.52 C HETATM 908 CF PLM A 200 22.572 25.373 60.331 1.00 25.42 C HETATM 909 CG PLM A 200 23.656 24.314 60.153 1.00 29.63 C HETATM 0 HG3 PLM A 200 23.768 24.121 59.209 1.00 29.63 H new HETATM 0 HG2 PLM A 200 24.493 24.643 60.517 1.00 29.63 H new HETATM 0 HG1 PLM A 200 23.397 23.504 60.620 1.00 29.63 H new HETATM 0 HF2 PLM A 200 22.441 25.555 61.275 1.00 25.42 H new HETATM 0 HF1 PLM A 200 21.728 25.042 59.987 1.00 25.42 H new HETATM 0 HE2 PLM A 200 23.075 26.485 58.658 1.00 27.52 H new HETATM 0 HE1 PLM A 200 23.804 26.990 59.941 1.00 27.52 H new HETATM 0 HD2 PLM A 200 21.488 27.555 60.738 1.00 37.05 H new HETATM 0 HD1 PLM A 200 21.115 27.494 59.225 1.00 37.05 H new HETATM 0 HC2 PLM A 200 23.031 29.290 60.322 1.00 25.59 H new HETATM 0 HC1 PLM A 200 21.628 29.722 59.796 1.00 25.59 H new HETATM 0 HB2 PLM A 200 22.209 29.261 57.609 1.00 25.02 H new HETATM 0 HB1 PLM A 200 23.491 28.489 58.048 1.00 25.02 H new HETATM 0 HA2 PLM A 200 24.146 30.681 59.100 1.00 27.59 H new HETATM 0 HA1 PLM A 200 23.116 31.291 58.102 1.00 27.59 H new HETATM 0 H92 PLM A 200 24.881 29.495 56.910 1.00 30.29 H new HETATM 0 H91 PLM A 200 25.568 30.805 57.405 1.00 30.29 H new HETATM 0 H82 PLM A 200 23.706 31.984 56.254 1.00 26.15 H new HETATM 0 H81 PLM A 200 23.475 30.633 55.510 1.00 26.15 H new HETATM 0 H72 PLM A 200 25.947 30.728 55.089 1.00 27.98 H new HETATM 0 H71 PLM A 200 25.784 32.251 55.380 1.00 27.98 H new HETATM 0 H62 PLM A 200 24.127 32.319 53.618 1.00 24.07 H new HETATM 0 H61 PLM A 200 24.540 30.859 53.257 1.00 24.07 H new HETATM 0 H52 PLM A 200 26.775 32.445 53.545 1.00 25.91 H new HETATM 0 H51 PLM A 200 25.846 33.029 52.437 1.00 25.91 H new HETATM 0 H42 PLM A 200 25.853 30.860 51.436 1.00 25.31 H new HETATM 0 H41 PLM A 200 26.970 30.467 52.451 1.00 25.31 H new HETATM 0 H32 PLM A 200 28.570 31.489 51.267 1.00 20.55 H new HETATM 0 H31 PLM A 200 27.555 32.391 50.501 1.00 20.55 H new HETATM 0 H22 PLM A 200 26.694 30.455 49.429 1.00 27.23 H new HETATM 0 H21 PLM A 200 27.786 29.601 50.143 1.00 27.23 H new HETATM 910 O HOH A 400 30.985 30.215 61.313 1.00 13.81 O HETATM 911 O HOH A 401 11.305 32.950 61.407 1.00 16.93 O HETATM 912 O HOH A 402 14.372 17.444 52.020 1.00 16.83 O HETATM 913 O HOH A 403 13.559 22.244 68.569 1.00 17.03 O HETATM 914 O HOH A 404 28.322 21.820 65.115 1.00 20.75 O HETATM 915 O HOH A 405 26.133 41.621 52.808 1.00 16.19 O HETATM 916 O HOH A 406 12.908 18.055 59.182 1.00 16.02 O HETATM 917 O HOH A 407 12.668 38.785 58.662 1.00 30.23 O HETATM 918 O HOH A 408 10.259 21.302 66.441 1.00 22.93 O HETATM 919 O HOH A 409 8.249 34.825 69.533 1.00 30.44 O HETATM 920 O HOH A 410 32.092 34.128 54.657 1.00 22.66 O HETATM 921 O HOH A 411 25.498 15.290 66.548 1.00 26.35 O HETATM 922 O HOH A 412 30.123 34.114 49.943 1.00 18.45 O HETATM 923 O HOH A 413 25.998 27.823 65.779 1.00 18.10 O HETATM 924 O HOH A 414 25.215 44.307 52.232 1.00 24.38 O HETATM 925 O HOH A 415 31.589 24.884 54.008 1.00 33.24 O HETATM 926 O HOH A 416 5.701 22.403 56.876 1.00 34.76 O HETATM 927 O HOH A 418 5.379 30.427 56.439 1.00 14.76 O HETATM 928 O HOH A 419 25.978 34.634 63.766 1.00 24.75 O HETATM 929 O HOH A 420 2.379 23.442 49.851 1.00 22.80 O HETATM 930 O HOH A 421 21.847 11.799 55.108 1.00 18.38 O HETATM 931 O HOH A 422 30.745 33.317 46.979 1.00 24.47 O HETATM 932 O HOH A 423 33.404 38.388 41.529 1.00 24.76 O HETATM 933 O HOH A 424 24.289 39.735 57.679 1.00 20.08 O HETATM 934 O HOH A 425 19.569 35.991 42.826 1.00 34.36 O HETATM 935 O HOH A 426 31.618 21.300 63.603 1.00 37.29 O HETATM 936 O HOH A 429 14.778 37.934 54.880 1.00 22.98 O HETATM 937 O HOH A 430 23.426 38.423 45.664 1.00 40.19 O HETATM 938 O HOH A 431 9.736 14.368 59.070 1.00 34.09 O HETATM 939 O HOH A 432 24.880 28.581 41.075 1.00 39.61 O HETATM 940 O HOH A 434 10.757 28.481 70.565 1.00 28.37 O HETATM 941 O HOH A 438 18.938 39.665 49.994 1.00 21.07 O HETATM 942 O HOH A 440 11.105 32.231 74.188 1.00 54.00 O HETATM 943 O HOH A 442 8.578 22.801 45.572 1.00 43.10 O HETATM 944 O HOH A 443 34.498 25.720 47.779 1.00 40.68 O HETATM 945 O HOH A 446 25.068 10.096 57.628 1.00 29.99 O HETATM 946 O HOH A 448 3.766 35.176 58.966 1.00 41.26 O HETATM 947 O HOH A 449 32.282 36.905 54.361 1.00 32.26 O HETATM 948 O HOH A 450 19.012 40.823 47.911 1.00 36.18 O HETATM 949 O HOH A 452 17.389 14.347 62.650 1.00 34.49 O HETATM 950 O HOH A 459 28.013 23.111 46.554 1.00 26.81 O HETATM 951 O HOH A 460 17.483 31.247 72.163 1.00 34.02 O HETATM 952 O HOH A 462 26.976 25.046 64.437 1.00 34.04 O HETATM 953 O HOH A 464 25.818 32.185 41.686 1.00 51.26 O HETATM 954 O HOH A 465 26.571 39.568 56.593 1.00 24.42 O HETATM 955 O HOH A 466 19.884 16.724 45.396 1.00 29.69 O HETATM 956 O HOH A 467 5.680 29.067 54.118 1.00 36.22 O HETATM 957 O HOH A 468 15.274 38.253 68.269 1.00 57.24 O HETATM 958 O HOH A 470 25.096 21.880 43.403 1.00 33.19 O HETATM 959 O HOH A 472 27.786 24.671 73.899 1.00 52.66 O HETATM 960 O HOH A 473 27.387 41.486 55.329 1.00 37.82 O HETATM 961 O HOH A 474 5.512 36.586 53.737 1.00 35.62 O HETATM 962 O HOH A 478 32.534 33.132 58.037 1.00 28.31 O HETATM 963 O HOH A 483 12.496 19.545 65.861 1.00 30.07 O HETATM 964 O HOH A 484 28.068 32.041 39.890 1.00 38.31 O HETATM 965 O HOH A 486 10.741 32.932 70.483 1.00 45.10 O HETATM 966 O HOH A 488 12.295 16.116 60.568 1.00 54.02 O HETATM 967 O HOH A 489 17.823 41.773 54.813 1.00 16.15 O HETATM 968 O HOH A 490 18.729 41.759 51.966 1.00 16.12 O HETATM 969 O HOH A 501 13.434 41.459 60.601 1.00 39.63 O HETATM 970 O HOH A 503 27.678 40.252 45.547 1.00 38.25 O HETATM 971 O HOH A 504 31.584 29.803 40.973 1.00 33.91 O HETATM 972 O HOH A 507 5.214 36.796 57.030 1.00 33.20 O HETATM 973 O HOH A 508 4.353 33.034 52.257 1.00 32.18 O HETATM 974 O HOH A 513 27.616 44.282 56.859 1.00 48.12 O HETATM 975 O HOH A 701 29.781 32.553 65.650 1.00 40.22 O HETATM 976 O HOH A 702 13.222 22.158 71.464 1.00 44.77 O HETATM 977 O HOH A 704 12.439 38.490 56.393 1.00 21.49 O HETATM 978 O HOH A 708 28.416 28.738 65.324 1.00 47.23 O HETATM 979 O HOH A 709 24.140 25.547 41.056 1.00 40.50 O HETATM 980 O HOH A 711 35.559 34.365 36.793 1.00 53.14 O HETATM 981 O HOH A 712 23.838 18.230 42.023 1.00 39.84 O HETATM 982 O HOH A 900 24.752 26.883 74.109 1.00 45.44 O HETATM 983 O HOH A 901 30.019 30.420 63.423 1.00 58.83 O HETATM 984 O HOH A 902 28.325 34.440 65.448 1.00 48.11 O HETATM 985 O HOH A 903 30.653 21.310 66.813 1.00 48.06 O HETATM 986 O HOH A 904 0.543 27.019 63.173 1.00 40.29 O HETATM 987 O HOH A 911 5.457 36.087 61.228 1.00 57.61 O HETATM 988 O HOH A 912 17.969 40.336 69.208 1.00 49.05 O HETATM 989 O HOH A 913 30.282 34.471 37.022 1.00 61.27 O HETATM 990 O HOH A 914 22.638 19.116 43.809 1.00 51.52 O HETATM 991 O HOH A 915 17.041 25.299 42.264 1.00 76.36 O HETATM 992 O HOH A 916 20.033 31.793 38.734 1.00 46.87 O HETATM 993 O HOH A 917 12.545 24.626 45.535 1.00 66.19 O HETATM 994 O HOH A 918 18.325 13.193 60.635 1.00 42.46 O HETATM 995 O HOH A 919 29.087 20.750 71.313 1.00 55.09 O HETATM 996 O HOH A 920 23.508 42.067 59.326 1.00 54.02 O HETATM 997 O HOH A 921 25.560 19.313 43.517 1.00 57.54 O CONECT 892 893 894 895 CONECT 893 892 CONECT 894 892 CONECT 895 892 896 CONECT 896 895 897 CONECT 897 896 898 CONECT 898 897 899 CONECT 899 898 900 CONECT 900 899 901 CONECT 901 900 902 CONECT 902 901 903 CONECT 903 902 904 CONECT 904 903 905 CONECT 905 904 906 CONECT 906 905 907 CONECT 907 906 908 CONECT 908 907 909 CONECT 909 908 END