USER MOD reduce.3.24.130724 H: found=0, std=0, add=1366, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 05-DEC-05 2F9F TITLE CRYSTAL STRUCTURE OF THE PUTATIVE MANNOSYL TRANSFERASE (WBAZ-1)FROM TITLE 2 ARCHAEOGLOBUS FULGIDUS, NORTHEAST STRUCTURAL GENOMICS TARGET GR29A. COMPND MOL_ID: 1; COMPND 2 MOLECULE: FIRST MANNOSYL TRANSFERASE (WBAZ-1); COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ARCHAEOGLOBUS FULGIDUS; SOURCE 3 ORGANISM_TAXID: 224325; SOURCE 4 STRAIN: DSM 4304; SOURCE 5 GENE: WBAZ-1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PET21; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: JM109 KEYWDS ALPHA-BETA PROTEIN, STRUCTURAL GENOMICS, PSI, PROTEIN STRUCTURE KEYWDS 2 INITIATIVE, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM, NESG, KEYWDS 3 TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR W.ZHOU,F.FOROUHAR,K.CONOVER,R.XIAO,T.B.ACTON,G.T.MONTELIONE,L.TONG, AUTHOR 2 J.F.HUNT,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) REVDAT 3 13-JUL-11 2F9F 1 VERSN REVDAT 2 24-FEB-09 2F9F 1 VERSN REVDAT 1 06-JUN-06 2F9F 0 JRNL AUTH W.ZHOU,F.FOROUHAR,K.CONOVER,R.XIAO,T.B.ACTON,G.T.MONTELIONE, JRNL AUTH 2 L.TONG,J.F.HUNT JRNL TITL CRYSTAL STRUCTURE OF THE PUTATIVE MANNOSYL TRANSFERASE JRNL TITL 2 (WBAZ-1)FROM ARCHAEOGLOBUS FULGIDUS JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.30 REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 326462.040 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 92.6 REMARK 3 NUMBER OF REFLECTIONS : 13431 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.186 REMARK 3 FREE R VALUE : 0.218 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 9.400 REMARK 3 FREE R VALUE TEST SET COUNT : 2197 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.005 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 76.60 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2959 REMARK 3 BIN R VALUE (WORKING SET) : 0.1830 REMARK 3 BIN FREE R VALUE : 0.2210 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.80 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 285 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.013 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1345 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 118 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 9.80 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 14.40 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 3.77000 REMARK 3 B22 (A**2) : -1.80000 REMARK 3 B33 (A**2) : -1.97000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.18 REMARK 3 ESD FROM SIGMAA (A) : 0.04 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.22 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.10 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.005 REMARK 3 BOND ANGLES (DEGREES) : 1.10 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 22.10 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.74 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : OVERALL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 45.86 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: XTALVIEW WAS ALSO USED FOR REFINEMENT. REMARK 4 REMARK 4 2F9F COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-DEC-05. REMARK 100 THE RCSB ID CODE IS RCSB035616. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-NOV-05 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.6 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : NSLS REMARK 200 BEAMLINE : X4A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97915 REMARK 200 MONOCHROMATOR : SI 111 CHANNEL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13624 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 30.300 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 200 DATA REDUNDANCY : 11.600 REMARK 200 R MERGE (I) : 0.11800 REMARK 200 R SYM (I) : 0.09400 REMARK 200 FOR THE DATA SET : 26.8600 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.86 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : 11.80 REMARK 200 R MERGE FOR SHELL (I) : 0.43200 REMARK 200 R SYM FOR SHELL (I) : 0.41200 REMARK 200 FOR SHELL : 7.040 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: BNP, SOLVE/RESOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 28.41 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.71 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM SODIUM ACETATE, 25% PEG 4K, 200 REMARK 280 MM AMMONIUM SULFATE, AND 5 MM DTT, PH 4.6, MICROBATCH, REMARK 280 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 20.53600 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 30.29450 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 28.56200 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 30.29450 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 20.53600 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 28.56200 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 MSE A -9 REMARK 465 GLY A -8 REMARK 465 HIS A -7 REMARK 465 HIS A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 HIS A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 REMARK 465 PRO A 1 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 LYS A 10 -55.48 -123.63 REMARK 500 ASP A 14 32.77 -96.78 REMARK 500 ASN A 20 134.35 -172.14 REMARK 500 TRP A 48 -150.57 -133.89 REMARK 500 ALA A 137 81.81 -69.07 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: GI:11497664 RELATED DB: TARGETDB REMARK 900 RELATED ID: GR29A RELATED DB: TARGETDB DBREF 2F9F A 1 167 GB 11497664 NP_068884 172 338 SEQADV 2F9F MSE A -9 GB 11497664 CLONING ARTIFACT SEQADV 2F9F GLY A -8 GB 11497664 CLONING ARTIFACT SEQADV 2F9F HIS A -7 GB 11497664 CLONING ARTIFACT SEQADV 2F9F HIS A -6 GB 11497664 CLONING ARTIFACT SEQADV 2F9F HIS A -5 GB 11497664 CLONING ARTIFACT SEQADV 2F9F HIS A -4 GB 11497664 CLONING ARTIFACT SEQADV 2F9F HIS A -3 GB 11497664 CLONING ARTIFACT SEQADV 2F9F HIS A -2 GB 11497664 CLONING ARTIFACT SEQADV 2F9F SER A -1 GB 11497664 CLONING ARTIFACT SEQADV 2F9F HIS A 0 GB 11497664 CLONING ARTIFACT SEQADV 2F9F MSE A 63 GB 11497664 MET 234 MODIFIED RESIDUE SEQADV 2F9F MSE A 108 GB 11497664 MET 279 MODIFIED RESIDUE SEQADV 2F9F MSE A 146 GB 11497664 MET 317 MODIFIED RESIDUE SEQRES 1 A 177 MSE GLY HIS HIS HIS HIS HIS HIS SER HIS PRO VAL GLU SEQRES 2 A 177 THR SER LYS PHE LYS PHE LYS CYS TYR GLY ASP PHE TRP SEQRES 3 A 177 LEU SER VAL ASN ARG ILE TYR PRO GLU LYS ARG ILE GLU SEQRES 4 A 177 LEU GLN LEU GLU VAL PHE LYS LYS LEU GLN ASP GLU LYS SEQRES 5 A 177 LEU TYR ILE VAL GLY TRP PHE SER LYS GLY ASP HIS ALA SEQRES 6 A 177 GLU ARG TYR ALA ARG LYS ILE MSE LYS ILE ALA PRO ASP SEQRES 7 A 177 ASN VAL LYS PHE LEU GLY SER VAL SER GLU GLU GLU LEU SEQRES 8 A 177 ILE ASP LEU TYR SER ARG CYS LYS GLY LEU LEU CYS THR SEQRES 9 A 177 ALA LYS ASP GLU ASP PHE GLY LEU THR PRO ILE GLU ALA SEQRES 10 A 177 MSE ALA SER GLY LYS PRO VAL ILE ALA VAL ASN GLU GLY SEQRES 11 A 177 GLY PHE LYS GLU THR VAL ILE ASN GLU LYS THR GLY TYR SEQRES 12 A 177 LEU VAL ASN ALA ASP VAL ASN GLU ILE ILE ASP ALA MSE SEQRES 13 A 177 LYS LYS VAL SER LYS ASN PRO ASP LYS PHE LYS LYS ASP SEQRES 14 A 177 CYS PHE ARG ARG ALA LYS GLU PHE MODRES 2F9F MSE A 63 MET SELENOMETHIONINE MODRES 2F9F MSE A 108 MET SELENOMETHIONINE MODRES 2F9F MSE A 146 MET SELENOMETHIONINE HET MSE A 63 8 HET MSE A 108 8 HET MSE A 146 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 3(C5 H11 N O2 SE) FORMUL 2 HOH *118(H2 O) HELIX 1 1 TYR A 23 LYS A 26 5 4 HELIX 2 2 ARG A 27 LEU A 38 1 12 HELIX 3 3 HIS A 54 ALA A 66 1 13 HELIX 4 4 SER A 77 CYS A 88 1 12 HELIX 5 5 GLY A 101 SER A 110 1 10 HELIX 6 6 GLU A 119 VAL A 126 1 8 HELIX 7 7 ASP A 138 ASN A 152 1 15 HELIX 8 8 PHE A 156 GLU A 166 1 11 SHEET 1 A 6 VAL A 70 GLY A 74 0 SHEET 2 A 6 LEU A 43 VAL A 46 1 N ILE A 45 O LYS A 71 SHEET 3 A 6 TRP A 16 VAL A 19 1 N SER A 18 O VAL A 46 SHEET 4 A 6 GLY A 90 CYS A 93 1 O LEU A 92 N LEU A 17 SHEET 5 A 6 VAL A 114 VAL A 117 1 O ILE A 115 N LEU A 91 SHEET 6 A 6 GLY A 132 VAL A 135 1 O VAL A 135 N ALA A 116 LINK C ILE A 62 N MSE A 63 1555 1555 1.33 LINK C MSE A 63 N LYS A 64 1555 1555 1.33 LINK C ALA A 107 N MSE A 108 1555 1555 1.33 LINK C MSE A 108 N ALA A 109 1555 1555 1.33 LINK C ALA A 145 N MSE A 146 1555 1555 1.33 LINK C MSE A 146 N LYS A 147 1555 1555 1.33 CRYST1 41.072 57.124 60.589 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 0.024347 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017506 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016505 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 89 LYS NZ :NH3+ 166:sc= 0.955 (180deg=0.851) USER MOD Set 1.2: A 150 SER OG : rot 72:sc= 0.273 USER MOD Set 2.1: A 88 CYS SG : rot -59:sc= 0.189 USER MOD Set 2.2: A 112 LYS NZ :NH3+ 153:sc= 1.5 (180deg=0.48!) USER MOD Set 3.1: A 93 CYS SG : rot -146:sc= 0.0858 USER MOD Set 3.2: A 103 THR OG1 : rot -171:sc= -1.77! USER MOD Set 4.1: A 44 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 18 SER OG : rot 87:sc= 0.313 USER MOD Set 5.2: A 20 ASN : amide:sc= 0.864 K(o=0.64,f=2.6) USER MOD Set 5.3: A 31 GLN : amide:sc= -1.58! K(o=0.64!,f=2.6) USER MOD Set 5.4: A 94 THR OG1 : rot 78:sc= 1.04 USER MOD Single : A 4 THR OG1 : rot 67:sc= 1.39 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.09) USER MOD Single : A 8 LYS NZ :NH3+ -102:sc= 0.00634 (180deg=-0.992) USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= 1.43 (180deg=0.981) USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -150:sc= 0.904 USER MOD Single : A 23 TYR OH : rot 8:sc= 1.8 USER MOD Single : A 26 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.25) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00258 X(o=-0.0026,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0.53 (180deg=0.517) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= -0.345 (180deg=-1.46!) USER MOD Single : A 54 HIS : no HD1:sc= 0.0762 X(o=0.076,f=0.46) USER MOD Single : A 58 TYR OH : rot 40:sc= 0.112 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.388 K(o=0.39,f=-7.2!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -81:sc= 0.267 USER MOD Single : A 85 TYR OH : rot -156:sc= 0.796 USER MOD Single : A 86 SER OG : rot -48:sc= 1.01 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 78:sc= 1.12 USER MOD Single : A 118 ASN : amide:sc= -1.06! K(o=-1.1!,f=0.85) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 THR OG1 : rot -79:sc= 0.843 USER MOD Single : A 128 ASN : amide:sc= 2 K(o=2,f=-2.1!) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot -160:sc= 0.288 USER MOD Single : A 133 TYR OH : rot -33:sc= 2.5 USER MOD Single : A 136 ASN : amide:sc= 0.164 X(o=0.16,f=0) USER MOD Single : A 140 ASN : amide:sc= 0.271 X(o=0.27,f=0.59) USER MOD Single : A 147 LYS NZ :NH3+ -134:sc= -0.0635 (180deg=-0.229) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 1.78 (180deg=1.78) USER MOD Single : A 151 LYS NZ :NH3+ -128:sc= 0.0334 (180deg=0) USER MOD Single : A 152 ASN : amide:sc= 0.456! C(o=0.46!,f=-3.7!) USER MOD Single : A 155 LYS NZ :NH3+ 158:sc= 1.29 (180deg=1.21) USER MOD Single : A 157 LYS NZ :NH3+ -112:sc= 0.678 (180deg=-0.00854) USER MOD Single : A 158 LYS NZ :NH3+ -145:sc= 0.807 (180deg=0.149) USER MOD Single : A 160 CYS SG : rot 74:sc= 1.4 USER MOD Single : A 165 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 2 21.962 17.794 54.487 1.00 26.42 N ATOM 2 CA VAL A 2 21.998 19.151 53.865 1.00 25.10 C ATOM 3 C VAL A 2 20.610 19.789 53.844 1.00 25.48 C ATOM 4 O VAL A 2 19.696 19.294 53.184 1.00 27.11 O ATOM 5 CB VAL A 2 22.526 19.083 52.420 1.00 25.05 C ATOM 6 CG1 VAL A 2 22.597 20.482 51.826 1.00 23.58 C ATOM 7 CG2 VAL A 2 23.890 18.414 52.398 1.00 23.90 C ATOM 0 HA VAL A 2 22.594 19.692 54.406 1.00 25.10 H new ATOM 0 HB VAL A 2 21.918 18.554 51.881 1.00 25.05 H new ATOM 0 HG11 VAL A 2 22.930 20.431 50.916 1.00 23.58 H new ATOM 0 HG12 VAL A 2 21.712 20.878 51.824 1.00 23.58 H new ATOM 0 HG13 VAL A 2 23.195 21.030 52.359 1.00 23.58 H new ATOM 0 HG21 VAL A 2 24.217 18.374 51.485 1.00 23.90 H new ATOM 0 HG22 VAL A 2 24.510 18.925 52.941 1.00 23.90 H new ATOM 0 HG23 VAL A 2 23.815 17.515 52.753 1.00 23.90 H new ATOM 8 N GLU A 3 20.465 20.896 54.564 1.00 24.73 N ATOM 9 CA GLU A 3 19.195 21.606 54.637 1.00 25.87 C ATOM 10 C GLU A 3 18.938 22.386 53.356 1.00 25.30 C ATOM 11 O GLU A 3 19.824 23.078 52.857 1.00 26.51 O ATOM 12 CB GLU A 3 19.200 22.546 55.845 1.00 27.99 C ATOM 13 CG GLU A 3 19.356 21.814 57.169 1.00 30.76 C ATOM 14 CD GLU A 3 18.243 20.810 57.406 1.00 32.31 C ATOM 15 OE1 GLU A 3 17.077 21.238 57.553 1.00 33.64 O ATOM 16 OE2 GLU A 3 18.532 19.592 57.437 1.00 34.01 O ATOM 0 H GLU A 3 21.098 21.255 55.022 1.00 24.73 H new ATOM 0 HA GLU A 3 18.480 20.959 54.741 1.00 25.87 H new ATOM 0 HB2 GLU A 3 19.923 23.185 55.748 1.00 27.99 H new ATOM 0 HB3 GLU A 3 18.373 23.053 55.857 1.00 27.99 H new ATOM 0 HG2 GLU A 3 20.211 21.356 57.184 1.00 30.76 H new ATOM 0 HG3 GLU A 3 19.367 22.459 57.894 1.00 30.76 H new ATOM 17 N THR A 4 17.725 22.273 52.825 1.00 24.54 N ATOM 18 CA THR A 4 17.377 22.967 51.589 1.00 24.03 C ATOM 19 C THR A 4 15.992 23.605 51.638 1.00 22.82 C ATOM 20 O THR A 4 15.474 24.063 50.618 1.00 20.66 O ATOM 21 CB THR A 4 17.430 22.002 50.386 1.00 25.15 C ATOM 22 OG1 THR A 4 16.522 20.914 50.605 1.00 26.78 O ATOM 23 CG2 THR A 4 18.838 21.450 50.210 1.00 25.22 C ATOM 0 H THR A 4 17.090 21.801 53.163 1.00 24.54 H new ATOM 0 HA THR A 4 18.034 23.673 51.486 1.00 24.03 H new ATOM 0 HB THR A 4 17.178 22.488 49.585 1.00 25.15 H new ATOM 0 HG1 THR A 4 15.732 21.200 50.590 1.00 26.78 H new ATOM 0 HG21 THR A 4 18.856 20.846 49.451 1.00 25.22 H new ATOM 0 HG22 THR A 4 19.456 22.182 50.055 1.00 25.22 H new ATOM 0 HG23 THR A 4 19.100 20.970 51.011 1.00 25.22 H new ATOM 24 N SER A 5 15.401 23.646 52.827 1.00 21.41 N ATOM 25 CA SER A 5 14.068 24.217 52.993 1.00 20.69 C ATOM 26 C SER A 5 14.045 25.737 52.842 1.00 18.79 C ATOM 27 O SER A 5 13.028 26.307 52.454 1.00 17.54 O ATOM 28 CB SER A 5 13.507 23.844 54.367 1.00 22.03 C ATOM 29 OG SER A 5 14.204 24.524 55.398 1.00 25.79 O ATOM 0 H SER A 5 15.755 23.348 53.552 1.00 21.41 H new ATOM 0 HA SER A 5 13.519 23.845 52.285 1.00 20.69 H new ATOM 0 HB2 SER A 5 12.564 24.067 54.407 1.00 22.03 H new ATOM 0 HB3 SER A 5 13.578 22.886 54.501 1.00 22.03 H new ATOM 0 HG SER A 5 13.882 24.309 56.143 1.00 25.79 H new ATOM 30 N LYS A 6 15.160 26.391 53.146 1.00 16.84 N ATOM 31 CA LYS A 6 15.210 27.842 53.054 1.00 16.16 C ATOM 32 C LYS A 6 15.451 28.372 51.644 1.00 14.28 C ATOM 33 O LYS A 6 15.429 29.580 51.426 1.00 15.65 O ATOM 34 CB LYS A 6 16.272 28.406 54.006 1.00 19.34 C ATOM 35 CG LYS A 6 17.695 27.933 53.742 1.00 22.56 C ATOM 36 CD LYS A 6 18.212 27.025 54.858 1.00 25.36 C ATOM 37 CE LYS A 6 18.046 27.666 56.233 1.00 27.58 C ATOM 38 NZ LYS A 6 18.539 29.075 56.260 1.00 29.05 N ATOM 0 H LYS A 6 15.890 26.018 53.405 1.00 16.84 H new ATOM 0 HA LYS A 6 14.327 28.147 53.314 1.00 16.16 H new ATOM 0 HB2 LYS A 6 16.253 29.374 53.952 1.00 19.34 H new ATOM 0 HB3 LYS A 6 16.030 28.168 54.915 1.00 19.34 H new ATOM 0 HG2 LYS A 6 17.725 27.456 52.898 1.00 22.56 H new ATOM 0 HG3 LYS A 6 18.280 28.702 53.655 1.00 22.56 H new ATOM 0 HD2 LYS A 6 17.735 26.181 54.835 1.00 25.36 H new ATOM 0 HD3 LYS A 6 19.149 26.826 54.705 1.00 25.36 H new ATOM 0 HE2 LYS A 6 17.110 27.647 56.486 1.00 27.58 H new ATOM 0 HE3 LYS A 6 18.528 27.143 56.892 1.00 27.58 H new ATOM 0 HZ1 LYS A 6 18.603 29.351 57.104 1.00 29.05 H new ATOM 0 HZ2 LYS A 6 19.339 29.117 55.873 1.00 29.05 H new ATOM 0 HZ3 LYS A 6 17.969 29.598 55.820 1.00 29.05 H new ATOM 39 N PHE A 7 15.679 27.486 50.682 1.00 13.40 N ATOM 40 CA PHE A 7 15.910 27.951 49.318 1.00 11.59 C ATOM 41 C PHE A 7 14.614 27.981 48.529 1.00 12.17 C ATOM 42 O PHE A 7 13.702 27.200 48.790 1.00 11.45 O ATOM 43 CB PHE A 7 16.931 27.059 48.606 1.00 11.66 C ATOM 44 CG PHE A 7 18.263 27.007 49.292 1.00 12.42 C ATOM 45 CD1 PHE A 7 18.550 25.994 50.199 1.00 15.59 C ATOM 46 CD2 PHE A 7 19.213 27.996 49.070 1.00 14.20 C ATOM 47 CE1 PHE A 7 19.763 25.967 50.881 1.00 16.08 C ATOM 48 CE2 PHE A 7 20.433 27.979 49.748 1.00 15.51 C ATOM 49 CZ PHE A 7 20.705 26.963 50.654 1.00 15.15 C ATOM 0 H PHE A 7 15.704 26.633 50.791 1.00 13.40 H new ATOM 0 HA PHE A 7 16.264 28.853 49.369 1.00 11.59 H new ATOM 0 HB2 PHE A 7 16.574 26.160 48.541 1.00 11.66 H new ATOM 0 HB3 PHE A 7 17.055 27.381 47.700 1.00 11.66 H new ATOM 0 HD1 PHE A 7 17.923 25.325 50.352 1.00 15.59 H new ATOM 0 HD2 PHE A 7 19.034 28.677 48.463 1.00 14.20 H new ATOM 0 HE1 PHE A 7 19.942 25.285 51.487 1.00 16.08 H new ATOM 0 HE2 PHE A 7 21.062 28.646 49.593 1.00 15.51 H new ATOM 0 HZ PHE A 7 21.516 26.949 51.108 1.00 15.15 H new ATOM 50 N LYS A 8 14.519 28.900 47.575 1.00 12.62 N ATOM 51 CA LYS A 8 13.318 28.980 46.762 1.00 14.45 C ATOM 52 C LYS A 8 13.591 29.463 45.350 1.00 12.35 C ATOM 53 O LYS A 8 14.711 29.850 45.007 1.00 8.79 O ATOM 54 CB LYS A 8 12.269 29.882 47.414 1.00 18.00 C ATOM 55 CG LYS A 8 12.672 31.332 47.552 1.00 21.76 C ATOM 56 CD LYS A 8 13.313 31.600 48.897 1.00 25.59 C ATOM 57 CE LYS A 8 13.528 33.090 49.100 1.00 27.88 C ATOM 58 NZ LYS A 8 14.001 33.401 50.477 1.00 28.92 N ATOM 0 H LYS A 8 15.129 29.477 47.386 1.00 12.62 H new ATOM 0 HA LYS A 8 12.977 28.074 46.703 1.00 14.45 H new ATOM 0 HB2 LYS A 8 11.452 29.835 46.892 1.00 18.00 H new ATOM 0 HB3 LYS A 8 12.063 29.532 48.295 1.00 18.00 H new ATOM 0 HG2 LYS A 8 13.292 31.566 46.844 1.00 21.76 H new ATOM 0 HG3 LYS A 8 11.892 31.898 47.445 1.00 21.76 H new ATOM 0 HD2 LYS A 8 12.749 31.250 49.605 1.00 25.59 H new ATOM 0 HD3 LYS A 8 14.162 31.135 48.954 1.00 25.59 H new ATOM 0 HE2 LYS A 8 14.176 33.414 48.455 1.00 27.88 H new ATOM 0 HE3 LYS A 8 12.698 33.562 48.929 1.00 27.88 H new ATOM 0 HZ1 LYS A 8 13.322 33.711 50.961 1.00 28.92 H new ATOM 0 HZ2 LYS A 8 14.322 32.662 50.855 1.00 28.92 H new ATOM 0 HZ3 LYS A 8 14.643 34.016 50.439 1.00 28.92 H new ATOM 59 N PHE A 9 12.545 29.425 44.535 1.00 11.92 N ATOM 60 CA PHE A 9 12.623 29.838 43.144 1.00 11.45 C ATOM 61 C PHE A 9 11.939 31.180 42.929 1.00 10.97 C ATOM 62 O PHE A 9 10.863 31.433 43.467 1.00 12.01 O ATOM 63 CB PHE A 9 11.947 28.793 42.254 1.00 11.61 C ATOM 64 CG PHE A 9 11.833 29.208 40.814 1.00 11.31 C ATOM 65 CD1 PHE A 9 12.918 29.091 39.953 1.00 10.90 C ATOM 66 CD2 PHE A 9 10.652 29.765 40.333 1.00 11.81 C ATOM 67 CE1 PHE A 9 12.830 29.521 38.634 1.00 10.95 C ATOM 68 CE2 PHE A 9 10.552 30.200 39.016 1.00 9.18 C ATOM 69 CZ PHE A 9 11.646 30.079 38.163 1.00 11.49 C ATOM 0 H PHE A 9 11.765 29.157 44.777 1.00 11.92 H new ATOM 0 HA PHE A 9 13.561 29.923 42.911 1.00 11.45 H new ATOM 0 HB2 PHE A 9 12.448 27.964 42.305 1.00 11.61 H new ATOM 0 HB3 PHE A 9 11.060 28.610 42.601 1.00 11.61 H new ATOM 0 HD1 PHE A 9 13.713 28.720 40.263 1.00 10.90 H new ATOM 0 HD2 PHE A 9 9.920 29.847 40.900 1.00 11.81 H new ATOM 0 HE1 PHE A 9 13.562 29.436 38.067 1.00 10.95 H new ATOM 0 HE2 PHE A 9 9.757 30.570 38.706 1.00 9.18 H new ATOM 0 HZ PHE A 9 11.585 30.370 37.282 1.00 11.49 H new ATOM 70 N LYS A 10 12.572 32.045 42.150 1.00 9.93 N ATOM 71 CA LYS A 10 11.975 33.329 41.840 1.00 9.88 C ATOM 72 C LYS A 10 11.880 33.469 40.330 1.00 10.77 C ATOM 73 O LYS A 10 10.795 33.678 39.781 1.00 11.43 O ATOM 74 CB LYS A 10 12.788 34.485 42.438 1.00 9.15 C ATOM 75 CG LYS A 10 12.700 34.572 43.963 1.00 9.44 C ATOM 76 CD LYS A 10 13.350 35.842 44.510 1.00 11.19 C ATOM 77 CE LYS A 10 13.373 35.830 46.034 1.00 11.32 C ATOM 78 NZ LYS A 10 14.025 37.036 46.613 1.00 12.99 N ATOM 0 H LYS A 10 13.343 31.908 41.794 1.00 9.93 H new ATOM 0 HA LYS A 10 11.089 33.370 42.233 1.00 9.88 H new ATOM 0 HB2 LYS A 10 13.718 34.384 42.181 1.00 9.15 H new ATOM 0 HB3 LYS A 10 12.477 35.321 42.056 1.00 9.15 H new ATOM 0 HG2 LYS A 10 11.769 34.546 44.233 1.00 9.44 H new ATOM 0 HG3 LYS A 10 13.131 33.796 44.355 1.00 9.44 H new ATOM 0 HD2 LYS A 10 14.255 35.918 44.170 1.00 11.19 H new ATOM 0 HD3 LYS A 10 12.863 36.620 44.196 1.00 11.19 H new ATOM 0 HE2 LYS A 10 12.464 35.769 46.366 1.00 11.32 H new ATOM 0 HE3 LYS A 10 13.841 35.037 46.340 1.00 11.32 H new ATOM 0 HZ1 LYS A 10 14.314 36.852 47.434 1.00 12.99 H new ATOM 0 HZ2 LYS A 10 14.714 37.275 46.103 1.00 12.99 H new ATOM 0 HZ3 LYS A 10 13.437 37.703 46.649 1.00 12.99 H new ATOM 79 N CYS A 11 13.011 33.324 39.651 1.00 8.14 N ATOM 80 CA CYS A 11 13.026 33.454 38.202 1.00 7.64 C ATOM 81 C CYS A 11 14.350 32.981 37.617 1.00 9.63 C ATOM 82 O CYS A 11 15.313 32.752 38.343 1.00 9.05 O ATOM 83 CB CYS A 11 12.841 34.924 37.829 1.00 7.53 C ATOM 84 SG CYS A 11 14.196 35.986 38.433 1.00 12.68 S ATOM 0 H CYS A 11 13.774 33.151 40.007 1.00 8.14 H new ATOM 0 HA CYS A 11 12.309 32.908 37.845 1.00 7.64 H new ATOM 0 HB2 CYS A 11 12.780 35.003 36.864 1.00 7.53 H new ATOM 0 HB3 CYS A 11 12.000 35.242 38.193 1.00 7.53 H new ATOM 0 HG CYS A 11 13.991 37.122 38.106 1.00 12.68 H new ATOM 85 N TYR A 12 14.384 32.821 36.299 1.00 9.62 N ATOM 86 CA TYR A 12 15.618 32.457 35.626 1.00 10.13 C ATOM 87 C TYR A 12 16.122 33.792 35.086 1.00 12.17 C ATOM 88 O TYR A 12 15.794 34.197 33.966 1.00 12.07 O ATOM 89 CB TYR A 12 15.370 31.456 34.492 1.00 10.28 C ATOM 90 CG TYR A 12 14.958 30.087 34.986 1.00 8.79 C ATOM 91 CD1 TYR A 12 13.613 29.709 35.025 1.00 10.98 C ATOM 92 CD2 TYR A 12 15.911 29.186 35.467 1.00 7.74 C ATOM 93 CE1 TYR A 12 13.230 28.465 35.536 1.00 9.98 C ATOM 94 CE2 TYR A 12 15.541 27.946 35.982 1.00 7.37 C ATOM 95 CZ TYR A 12 14.199 27.592 36.015 1.00 10.44 C ATOM 96 OH TYR A 12 13.827 26.374 36.543 1.00 11.43 O ATOM 0 H TYR A 12 13.705 32.919 35.780 1.00 9.62 H new ATOM 0 HA TYR A 12 16.253 32.017 36.213 1.00 10.13 H new ATOM 0 HB2 TYR A 12 14.679 31.804 33.907 1.00 10.28 H new ATOM 0 HB3 TYR A 12 16.177 31.372 33.960 1.00 10.28 H new ATOM 0 HD1 TYR A 12 12.963 30.293 34.706 1.00 10.98 H new ATOM 0 HD2 TYR A 12 16.811 29.419 35.443 1.00 7.74 H new ATOM 0 HE1 TYR A 12 12.332 28.223 35.555 1.00 9.98 H new ATOM 0 HE2 TYR A 12 16.188 27.359 36.301 1.00 7.37 H new ATOM 0 HH TYR A 12 14.382 26.141 37.129 1.00 11.43 H new ATOM 97 N GLY A 13 16.894 34.486 35.918 1.00 12.77 N ATOM 98 CA GLY A 13 17.425 35.785 35.551 1.00 14.52 C ATOM 99 C GLY A 13 18.441 35.751 34.428 1.00 15.84 C ATOM 100 O GLY A 13 18.747 34.691 33.884 1.00 16.45 O ATOM 0 H GLY A 13 17.120 34.217 36.703 1.00 12.77 H new ATOM 0 HA2 GLY A 13 16.689 36.361 35.290 1.00 14.52 H new ATOM 0 HA3 GLY A 13 17.836 36.187 36.332 1.00 14.52 H new ATOM 101 N ASP A 14 18.980 36.914 34.086 1.00 17.34 N ATOM 102 CA ASP A 14 19.951 36.995 33.005 1.00 18.06 C ATOM 103 C ASP A 14 21.390 36.981 33.499 1.00 15.55 C ATOM 104 O ASP A 14 22.259 37.616 32.905 1.00 15.63 O ATOM 105 CB ASP A 14 19.712 38.256 32.174 1.00 23.36 C ATOM 106 CG ASP A 14 20.010 39.520 32.945 1.00 28.55 C ATOM 107 OD1 ASP A 14 19.454 39.681 34.053 1.00 30.22 O ATOM 108 OD2 ASP A 14 20.799 40.356 32.446 1.00 32.84 O ATOM 0 H ASP A 14 18.798 37.664 34.465 1.00 17.34 H new ATOM 0 HA ASP A 14 19.824 36.203 32.459 1.00 18.06 H new ATOM 0 HB2 ASP A 14 20.268 38.227 31.379 1.00 23.36 H new ATOM 0 HB3 ASP A 14 18.789 38.273 31.875 1.00 23.36 H new ATOM 109 N PHE A 15 21.648 36.273 34.593 1.00 12.70 N ATOM 110 CA PHE A 15 23.012 36.189 35.101 1.00 10.04 C ATOM 111 C PHE A 15 23.329 34.797 35.615 1.00 8.11 C ATOM 112 O PHE A 15 22.469 34.126 36.173 1.00 6.51 O ATOM 113 CB PHE A 15 23.246 37.217 36.218 1.00 9.70 C ATOM 114 CG PHE A 15 22.520 36.910 37.502 1.00 9.33 C ATOM 115 CD1 PHE A 15 23.087 36.072 38.461 1.00 6.83 C ATOM 116 CD2 PHE A 15 21.277 37.477 37.761 1.00 9.39 C ATOM 117 CE1 PHE A 15 22.422 35.793 39.657 1.00 9.53 C ATOM 118 CE2 PHE A 15 20.603 37.204 38.953 1.00 9.77 C ATOM 119 CZ PHE A 15 21.180 36.363 39.905 1.00 7.31 C ATOM 0 H PHE A 15 21.060 35.841 35.049 1.00 12.70 H new ATOM 0 HA PHE A 15 23.606 36.386 34.359 1.00 10.04 H new ATOM 0 HB2 PHE A 15 24.197 37.270 36.401 1.00 9.70 H new ATOM 0 HB3 PHE A 15 22.969 38.091 35.902 1.00 9.70 H new ATOM 0 HD1 PHE A 15 23.921 35.693 38.302 1.00 6.83 H new ATOM 0 HD2 PHE A 15 20.890 38.044 37.134 1.00 9.39 H new ATOM 0 HE1 PHE A 15 22.810 35.227 40.285 1.00 9.53 H new ATOM 0 HE2 PHE A 15 19.769 37.583 39.112 1.00 9.77 H new ATOM 0 HZ PHE A 15 20.735 36.185 40.702 1.00 7.31 H new ATOM 120 N TRP A 16 24.564 34.360 35.397 1.00 6.23 N ATOM 121 CA TRP A 16 24.994 33.065 35.892 1.00 6.51 C ATOM 122 C TRP A 16 25.644 33.331 37.236 1.00 5.03 C ATOM 123 O TRP A 16 26.118 34.439 37.500 1.00 6.58 O ATOM 124 CB TRP A 16 25.988 32.403 34.934 1.00 5.64 C ATOM 125 CG TRP A 16 25.330 31.802 33.735 1.00 8.83 C ATOM 126 CD1 TRP A 16 24.959 32.444 32.594 1.00 10.09 C ATOM 127 CD2 TRP A 16 24.917 30.438 33.582 1.00 9.10 C ATOM 128 NE1 TRP A 16 24.339 31.562 31.731 1.00 10.83 N ATOM 129 CE2 TRP A 16 24.304 30.322 32.316 1.00 10.17 C ATOM 130 CE3 TRP A 16 25.013 29.296 34.393 1.00 9.85 C ATOM 131 CZ2 TRP A 16 23.777 29.117 31.842 1.00 10.74 C ATOM 132 CZ3 TRP A 16 24.489 28.092 33.921 1.00 10.20 C ATOM 133 CH2 TRP A 16 23.882 28.016 32.653 1.00 9.80 C ATOM 0 H TRP A 16 25.165 34.799 34.966 1.00 6.23 H new ATOM 0 HA TRP A 16 24.244 32.455 35.969 1.00 6.51 H new ATOM 0 HB2 TRP A 16 26.638 33.062 34.644 1.00 5.64 H new ATOM 0 HB3 TRP A 16 26.477 31.713 35.409 1.00 5.64 H new ATOM 0 HD1 TRP A 16 25.102 33.346 32.420 1.00 10.09 H new ATOM 0 HE1 TRP A 16 24.026 31.758 30.954 1.00 10.83 H new ATOM 0 HE3 TRP A 16 25.418 29.341 35.229 1.00 9.85 H new ATOM 0 HZ2 TRP A 16 23.370 29.064 31.007 1.00 10.74 H new ATOM 0 HZ3 TRP A 16 24.541 27.330 34.451 1.00 10.20 H new ATOM 0 HH2 TRP A 16 23.545 27.201 32.359 1.00 9.80 H new ATOM 134 N LEU A 17 25.657 32.313 38.085 1.00 5.10 N ATOM 135 CA LEU A 17 26.217 32.435 39.418 1.00 4.18 C ATOM 136 C LEU A 17 27.286 31.387 39.677 1.00 5.43 C ATOM 137 O LEU A 17 27.205 30.275 39.164 1.00 6.79 O ATOM 138 CB LEU A 17 25.104 32.252 40.452 1.00 4.39 C ATOM 139 CG LEU A 17 25.500 32.316 41.931 1.00 4.82 C ATOM 140 CD1 LEU A 17 25.882 33.749 42.268 1.00 6.48 C ATOM 141 CD2 LEU A 17 24.330 31.857 42.819 1.00 7.10 C ATOM 0 H LEU A 17 25.342 31.534 37.903 1.00 5.10 H new ATOM 0 HA LEU A 17 26.620 33.314 39.489 1.00 4.18 H new ATOM 0 HB2 LEU A 17 24.431 32.932 40.292 1.00 4.39 H new ATOM 0 HB3 LEU A 17 24.683 31.393 40.291 1.00 4.39 H new ATOM 0 HG LEU A 17 26.252 31.726 42.094 1.00 4.82 H new ATOM 0 HD11 LEU A 17 26.135 33.805 43.203 1.00 6.48 H new ATOM 0 HD12 LEU A 17 26.629 34.024 41.714 1.00 6.48 H new ATOM 0 HD13 LEU A 17 25.125 34.333 42.103 1.00 6.48 H new ATOM 0 HD21 LEU A 17 24.594 31.902 43.751 1.00 7.10 H new ATOM 0 HD22 LEU A 17 23.565 32.435 42.671 1.00 7.10 H new ATOM 0 HD23 LEU A 17 24.092 30.944 42.595 1.00 7.10 H new ATOM 142 N SER A 18 28.297 31.754 40.454 1.00 4.78 N ATOM 143 CA SER A 18 29.339 30.812 40.848 1.00 5.38 C ATOM 144 C SER A 18 29.586 31.186 42.306 1.00 7.11 C ATOM 145 O SER A 18 29.654 32.366 42.643 1.00 8.22 O ATOM 146 CB SER A 18 30.615 30.970 40.006 1.00 8.28 C ATOM 147 OG SER A 18 31.506 31.916 40.554 1.00 10.08 O ATOM 0 H SER A 18 28.399 32.549 40.766 1.00 4.78 H new ATOM 0 HA SER A 18 29.080 29.886 40.719 1.00 5.38 H new ATOM 0 HB2 SER A 18 31.061 30.112 39.935 1.00 8.28 H new ATOM 0 HB3 SER A 18 30.374 31.239 39.106 1.00 8.28 H new ATOM 0 HG SER A 18 32.000 31.541 41.120 1.00 10.08 H new ATOM 148 N VAL A 19 29.659 30.179 43.168 1.00 7.07 N ATOM 149 CA VAL A 19 29.882 30.380 44.597 1.00 6.03 C ATOM 150 C VAL A 19 31.211 29.722 44.932 1.00 5.00 C ATOM 151 O VAL A 19 31.306 28.498 45.014 1.00 4.80 O ATOM 152 CB VAL A 19 28.751 29.725 45.421 1.00 4.79 C ATOM 153 CG1 VAL A 19 29.000 29.911 46.910 1.00 6.14 C ATOM 154 CG2 VAL A 19 27.405 30.317 45.014 1.00 4.87 C ATOM 0 H VAL A 19 29.580 29.354 42.940 1.00 7.07 H new ATOM 0 HA VAL A 19 29.892 31.326 44.811 1.00 6.03 H new ATOM 0 HB VAL A 19 28.737 28.772 45.239 1.00 4.79 H new ATOM 0 HG11 VAL A 19 28.282 29.495 47.413 1.00 6.14 H new ATOM 0 HG12 VAL A 19 29.844 29.499 47.151 1.00 6.14 H new ATOM 0 HG13 VAL A 19 29.032 30.858 47.117 1.00 6.14 H new ATOM 0 HG21 VAL A 19 26.699 29.903 45.534 1.00 4.87 H new ATOM 0 HG22 VAL A 19 27.409 31.273 45.178 1.00 4.87 H new ATOM 0 HG23 VAL A 19 27.251 30.152 44.071 1.00 4.87 H new ATOM 155 N ASN A 20 32.241 30.536 45.111 1.00 6.83 N ATOM 156 CA ASN A 20 33.565 30.004 45.392 1.00 6.65 C ATOM 157 C ASN A 20 34.558 31.098 45.751 1.00 7.97 C ATOM 158 O ASN A 20 34.617 32.130 45.083 1.00 8.71 O ATOM 159 CB ASN A 20 34.081 29.235 44.169 1.00 8.01 C ATOM 160 CG ASN A 20 33.616 29.843 42.852 1.00 8.17 C ATOM 161 OD1 ASN A 20 33.561 31.070 42.695 1.00 11.40 O ATOM 162 ND2 ASN A 20 33.302 28.988 41.891 1.00 6.06 N ATOM 0 H ASN A 20 32.196 31.394 45.074 1.00 6.83 H new ATOM 0 HA ASN A 20 33.485 29.412 46.156 1.00 6.65 H new ATOM 0 HB2 ASN A 20 35.051 29.218 44.188 1.00 8.01 H new ATOM 0 HB3 ASN A 20 33.780 28.314 44.220 1.00 8.01 H new ATOM 0 HD21 ASN A 20 33.048 29.279 41.123 1.00 6.06 H new ATOM 0 HD22 ASN A 20 33.352 28.142 42.035 1.00 6.06 H new ATOM 163 N ARG A 21 35.335 30.870 46.807 1.00 7.09 N ATOM 164 CA ARG A 21 36.342 31.842 47.228 1.00 9.18 C ATOM 165 C ARG A 21 37.300 32.057 46.060 1.00 8.57 C ATOM 166 O ARG A 21 37.431 31.192 45.195 1.00 8.01 O ATOM 167 CB ARG A 21 37.125 31.323 48.431 1.00 12.76 C ATOM 168 CG ARG A 21 36.985 32.175 49.676 1.00 21.55 C ATOM 169 CD ARG A 21 35.833 31.701 50.547 1.00 25.10 C ATOM 170 NE ARG A 21 35.783 32.433 51.812 1.00 27.22 N ATOM 171 CZ ARG A 21 35.267 33.650 51.956 1.00 28.92 C ATOM 172 NH1 ARG A 21 35.275 34.237 53.146 1.00 28.43 N ATOM 173 NH2 ARG A 21 34.727 34.274 50.917 1.00 26.90 N ATOM 0 H ARG A 21 35.296 30.161 47.292 1.00 7.09 H new ATOM 0 HA ARG A 21 35.908 32.671 47.483 1.00 9.18 H new ATOM 0 HB2 ARG A 21 36.829 30.422 48.633 1.00 12.76 H new ATOM 0 HB3 ARG A 21 38.064 31.267 48.194 1.00 12.76 H new ATOM 0 HG2 ARG A 21 37.810 32.145 50.185 1.00 21.55 H new ATOM 0 HG3 ARG A 21 36.841 33.100 49.422 1.00 21.55 H new ATOM 0 HD2 ARG A 21 34.996 31.818 50.071 1.00 25.10 H new ATOM 0 HD3 ARG A 21 35.929 30.752 50.724 1.00 25.10 H new ATOM 0 HE ARG A 21 36.109 32.051 52.510 1.00 27.22 H new ATOM 0 HH11 ARG A 21 35.614 33.830 53.824 1.00 28.43 H new ATOM 0 HH12 ARG A 21 34.941 35.024 53.239 1.00 28.43 H new ATOM 0 HH21 ARG A 21 34.710 33.891 50.147 1.00 26.90 H new ATOM 0 HH22 ARG A 21 34.394 35.061 51.014 1.00 26.90 H new ATOM 174 N ILE A 22 37.976 33.200 46.035 1.00 9.06 N ATOM 175 CA ILE A 22 38.892 33.502 44.940 1.00 10.05 C ATOM 176 C ILE A 22 40.273 32.888 45.177 1.00 11.68 C ATOM 177 O ILE A 22 41.240 33.591 45.477 1.00 12.10 O ATOM 178 CB ILE A 22 39.036 35.033 44.734 1.00 8.88 C ATOM 179 CG1 ILE A 22 37.662 35.706 44.760 1.00 9.34 C ATOM 180 CG2 ILE A 22 39.734 35.310 43.403 1.00 8.22 C ATOM 181 CD1 ILE A 22 36.685 35.240 43.692 1.00 15.07 C ATOM 0 H ILE A 22 37.920 33.811 46.638 1.00 9.06 H new ATOM 0 HA ILE A 22 38.511 33.110 44.139 1.00 10.05 H new ATOM 0 HB ILE A 22 39.571 35.399 45.456 1.00 8.88 H new ATOM 0 HG12 ILE A 22 37.262 35.555 45.631 1.00 9.34 H new ATOM 0 HG13 ILE A 22 37.786 36.664 44.667 1.00 9.34 H new ATOM 0 HG21 ILE A 22 39.823 36.268 43.277 1.00 8.22 H new ATOM 0 HG22 ILE A 22 40.614 34.902 43.408 1.00 8.22 H new ATOM 0 HG23 ILE A 22 39.209 34.936 42.678 1.00 8.22 H new ATOM 0 HD11 ILE A 22 35.847 35.720 43.788 1.00 15.07 H new ATOM 0 HD12 ILE A 22 37.058 35.414 42.814 1.00 15.07 H new ATOM 0 HD13 ILE A 22 36.525 34.288 43.792 1.00 15.07 H new ATOM 182 N TYR A 23 40.348 31.567 45.038 1.00 10.98 N ATOM 183 CA TYR A 23 41.587 30.824 45.223 1.00 10.95 C ATOM 184 C TYR A 23 41.895 29.968 43.993 1.00 9.51 C ATOM 185 O TYR A 23 40.994 29.595 43.248 1.00 8.70 O ATOM 186 CB TYR A 23 41.482 29.953 46.472 1.00 12.42 C ATOM 187 CG TYR A 23 41.551 30.751 47.754 1.00 15.32 C ATOM 188 CD1 TYR A 23 42.674 30.684 48.577 1.00 17.04 C ATOM 189 CD2 TYR A 23 40.511 31.604 48.127 1.00 17.64 C ATOM 190 CE1 TYR A 23 42.762 31.444 49.739 1.00 18.68 C ATOM 191 CE2 TYR A 23 40.592 32.375 49.289 1.00 19.58 C ATOM 192 CZ TYR A 23 41.722 32.287 50.088 1.00 20.54 C ATOM 193 OH TYR A 23 41.816 33.045 51.235 1.00 22.45 O ATOM 0 H TYR A 23 39.674 31.074 44.832 1.00 10.98 H new ATOM 0 HA TYR A 23 42.316 31.453 45.337 1.00 10.95 H new ATOM 0 HB2 TYR A 23 40.647 29.460 46.448 1.00 12.42 H new ATOM 0 HB3 TYR A 23 42.198 29.298 46.465 1.00 12.42 H new ATOM 0 HD1 TYR A 23 43.377 30.121 48.345 1.00 17.04 H new ATOM 0 HD2 TYR A 23 39.752 31.660 47.593 1.00 17.64 H new ATOM 0 HE1 TYR A 23 43.517 31.386 50.279 1.00 18.68 H new ATOM 0 HE2 TYR A 23 39.894 32.943 49.525 1.00 19.58 H new ATOM 0 HH TYR A 23 42.590 32.976 51.554 1.00 22.45 H new ATOM 194 N PRO A 24 43.180 29.644 43.767 1.00 10.12 N ATOM 195 CA PRO A 24 43.603 28.833 42.616 1.00 10.08 C ATOM 196 C PRO A 24 42.841 27.525 42.421 1.00 8.78 C ATOM 197 O PRO A 24 42.514 27.152 41.296 1.00 8.73 O ATOM 198 CB PRO A 24 45.086 28.592 42.892 1.00 11.37 C ATOM 199 CG PRO A 24 45.495 29.843 43.604 1.00 11.52 C ATOM 200 CD PRO A 24 44.346 30.066 44.565 1.00 11.35 C ATOM 0 HA PRO A 24 43.420 29.295 41.783 1.00 10.08 H new ATOM 0 HB2 PRO A 24 45.227 27.803 43.439 1.00 11.37 H new ATOM 0 HB3 PRO A 24 45.589 28.463 42.073 1.00 11.37 H new ATOM 0 HG2 PRO A 24 46.339 29.734 44.070 1.00 11.52 H new ATOM 0 HG3 PRO A 24 45.603 30.588 42.992 1.00 11.52 H new ATOM 0 HD2 PRO A 24 44.442 29.537 45.372 1.00 11.35 H new ATOM 0 HD3 PRO A 24 44.279 30.994 44.840 1.00 11.35 H new ATOM 201 N GLU A 25 42.561 26.840 43.525 1.00 8.94 N ATOM 202 CA GLU A 25 41.865 25.562 43.492 1.00 10.03 C ATOM 203 C GLU A 25 40.434 25.652 42.957 1.00 10.83 C ATOM 204 O GLU A 25 39.829 24.632 42.629 1.00 10.02 O ATOM 205 CB GLU A 25 41.842 24.959 44.895 1.00 12.39 C ATOM 206 CG GLU A 25 41.231 25.890 45.936 1.00 16.52 C ATOM 207 CD GLU A 25 42.266 26.667 46.735 1.00 19.82 C ATOM 208 OE1 GLU A 25 43.229 27.204 46.137 1.00 18.95 O ATOM 209 OE2 GLU A 25 42.102 26.753 47.973 1.00 22.01 O ATOM 0 H GLU A 25 42.771 27.105 44.316 1.00 8.94 H new ATOM 0 HA GLU A 25 42.357 24.997 42.875 1.00 10.03 H new ATOM 0 HB2 GLU A 25 41.340 24.129 44.876 1.00 12.39 H new ATOM 0 HB3 GLU A 25 42.748 24.736 45.160 1.00 12.39 H new ATOM 0 HG2 GLU A 25 40.639 26.516 45.492 1.00 16.52 H new ATOM 0 HG3 GLU A 25 40.686 25.369 46.546 1.00 16.52 H new ATOM 210 N LYS A 26 39.896 26.866 42.873 1.00 8.49 N ATOM 211 CA LYS A 26 38.536 27.064 42.376 1.00 8.79 C ATOM 212 C LYS A 26 38.468 27.235 40.856 1.00 8.88 C ATOM 213 O LYS A 26 37.379 27.236 40.271 1.00 5.72 O ATOM 214 CB LYS A 26 37.906 28.285 43.050 1.00 9.14 C ATOM 215 CG LYS A 26 37.872 28.204 44.567 1.00 10.73 C ATOM 216 CD LYS A 26 37.162 26.949 45.055 1.00 11.98 C ATOM 217 CE LYS A 26 37.050 26.937 46.579 1.00 14.28 C ATOM 218 NZ LYS A 26 36.286 25.753 47.074 1.00 13.42 N ATOM 0 H LYS A 26 40.302 27.590 43.099 1.00 8.49 H new ATOM 0 HA LYS A 26 38.042 26.259 42.597 1.00 8.79 H new ATOM 0 HB2 LYS A 26 38.400 29.078 42.789 1.00 9.14 H new ATOM 0 HB3 LYS A 26 37.000 28.393 42.721 1.00 9.14 H new ATOM 0 HG2 LYS A 26 38.779 28.216 44.911 1.00 10.73 H new ATOM 0 HG3 LYS A 26 37.423 28.987 44.922 1.00 10.73 H new ATOM 0 HD2 LYS A 26 36.276 26.902 44.662 1.00 11.98 H new ATOM 0 HD3 LYS A 26 37.647 26.163 44.757 1.00 11.98 H new ATOM 0 HE2 LYS A 26 37.939 26.933 46.968 1.00 14.28 H new ATOM 0 HE3 LYS A 26 36.613 27.750 46.877 1.00 14.28 H new ATOM 0 HZ1 LYS A 26 36.153 25.830 47.951 1.00 13.42 H new ATOM 0 HZ2 LYS A 26 35.500 25.711 46.658 1.00 13.42 H new ATOM 0 HZ3 LYS A 26 36.749 25.011 46.909 1.00 13.42 H new ATOM 219 N ARG A 27 39.629 27.377 40.221 1.00 8.00 N ATOM 220 CA ARG A 27 39.702 27.557 38.770 1.00 10.50 C ATOM 221 C ARG A 27 38.905 28.765 38.298 1.00 10.40 C ATOM 222 O ARG A 27 38.194 28.689 37.294 1.00 9.66 O ATOM 223 CB ARG A 27 39.180 26.316 38.042 1.00 13.85 C ATOM 224 CG ARG A 27 40.044 25.076 38.154 1.00 18.44 C ATOM 225 CD ARG A 27 39.364 23.924 37.431 1.00 20.33 C ATOM 226 NE ARG A 27 40.184 22.724 37.359 1.00 20.68 N ATOM 227 CZ ARG A 27 39.728 21.501 37.604 1.00 20.18 C ATOM 228 NH1 ARG A 27 40.542 20.462 37.507 1.00 20.63 N ATOM 229 NH2 ARG A 27 38.461 21.323 37.968 1.00 17.30 N ATOM 0 H ARG A 27 40.393 27.372 40.615 1.00 8.00 H new ATOM 0 HA ARG A 27 40.638 27.701 38.560 1.00 10.50 H new ATOM 0 HB2 ARG A 27 38.297 26.107 38.386 1.00 13.85 H new ATOM 0 HB3 ARG A 27 39.075 26.533 37.102 1.00 13.85 H new ATOM 0 HG2 ARG A 27 40.919 25.242 37.769 1.00 18.44 H new ATOM 0 HG3 ARG A 27 40.183 24.849 39.087 1.00 18.44 H new ATOM 0 HD2 ARG A 27 38.532 23.713 37.883 1.00 20.33 H new ATOM 0 HD3 ARG A 27 39.134 24.206 36.532 1.00 20.33 H new ATOM 0 HE ARG A 27 41.012 22.812 37.145 1.00 20.68 H new ATOM 0 HH11 ARG A 27 41.365 20.579 37.286 1.00 20.63 H new ATOM 0 HH12 ARG A 27 40.248 19.669 37.665 1.00 20.63 H new ATOM 0 HH21 ARG A 27 37.936 22.000 38.045 1.00 17.30 H new ATOM 0 HH22 ARG A 27 38.166 20.531 38.126 1.00 17.30 H new ATOM 230 N ILE A 28 39.014 29.875 39.017 1.00 9.53 N ATOM 231 CA ILE A 28 38.288 31.078 38.632 1.00 10.56 C ATOM 232 C ILE A 28 38.699 31.482 37.213 1.00 11.97 C ATOM 233 O ILE A 28 37.865 31.935 36.424 1.00 12.24 O ATOM 234 CB ILE A 28 38.572 32.253 39.607 1.00 11.32 C ATOM 235 CG1 ILE A 28 38.344 31.807 41.058 1.00 13.42 C ATOM 236 CG2 ILE A 28 37.647 33.430 39.293 1.00 9.72 C ATOM 237 CD1 ILE A 28 36.913 31.421 41.375 1.00 9.53 C ATOM 0 H ILE A 28 39.498 29.953 39.724 1.00 9.53 H new ATOM 0 HA ILE A 28 37.338 30.883 38.666 1.00 10.56 H new ATOM 0 HB ILE A 28 39.496 32.527 39.496 1.00 11.32 H new ATOM 0 HG12 ILE A 28 38.921 31.051 41.247 1.00 13.42 H new ATOM 0 HG13 ILE A 28 38.613 32.525 41.652 1.00 13.42 H new ATOM 0 HG21 ILE A 28 37.831 34.159 39.906 1.00 9.72 H new ATOM 0 HG22 ILE A 28 37.799 33.728 38.382 1.00 9.72 H new ATOM 0 HG23 ILE A 28 36.723 33.151 39.391 1.00 9.72 H new ATOM 0 HD11 ILE A 28 36.849 31.152 42.305 1.00 9.53 H new ATOM 0 HD12 ILE A 28 36.330 32.180 41.217 1.00 9.53 H new ATOM 0 HD13 ILE A 28 36.643 30.683 40.806 1.00 9.53 H new ATOM 238 N GLU A 29 39.973 31.291 36.874 1.00 11.09 N ATOM 239 CA GLU A 29 40.455 31.665 35.540 1.00 12.82 C ATOM 240 C GLU A 29 39.620 31.053 34.427 1.00 11.43 C ATOM 241 O GLU A 29 39.341 31.704 33.425 1.00 12.46 O ATOM 242 CB GLU A 29 41.912 31.246 35.338 1.00 15.96 C ATOM 243 CG GLU A 29 42.859 31.798 36.366 1.00 21.23 C ATOM 244 CD GLU A 29 43.233 30.761 37.392 1.00 23.90 C ATOM 245 OE1 GLU A 29 42.320 30.061 37.877 1.00 20.28 O ATOM 246 OE2 GLU A 29 44.438 30.652 37.710 1.00 26.30 O ATOM 0 H GLU A 29 40.569 30.951 37.392 1.00 11.09 H new ATOM 0 HA GLU A 29 40.378 32.631 35.493 1.00 12.82 H new ATOM 0 HB2 GLU A 29 41.964 30.278 35.351 1.00 15.96 H new ATOM 0 HB3 GLU A 29 42.202 31.534 34.458 1.00 15.96 H new ATOM 0 HG2 GLU A 29 43.661 32.123 35.927 1.00 21.23 H new ATOM 0 HG3 GLU A 29 42.450 32.558 36.808 1.00 21.23 H new ATOM 247 N LEU A 30 39.241 29.790 34.604 1.00 10.87 N ATOM 248 CA LEU A 30 38.435 29.088 33.618 1.00 9.16 C ATOM 249 C LEU A 30 37.115 29.826 33.402 1.00 8.05 C ATOM 250 O LEU A 30 36.699 30.060 32.266 1.00 9.25 O ATOM 251 CB LEU A 30 38.165 27.659 34.093 1.00 9.66 C ATOM 252 CG LEU A 30 37.324 26.759 33.191 1.00 11.30 C ATOM 253 CD1 LEU A 30 37.975 26.645 31.816 1.00 9.59 C ATOM 254 CD2 LEU A 30 37.201 25.379 33.839 1.00 12.59 C ATOM 0 H LEU A 30 39.444 29.321 35.296 1.00 10.87 H new ATOM 0 HA LEU A 30 38.918 29.056 32.777 1.00 9.16 H new ATOM 0 HB2 LEU A 30 39.021 27.225 34.234 1.00 9.66 H new ATOM 0 HB3 LEU A 30 37.727 27.709 34.957 1.00 9.66 H new ATOM 0 HG LEU A 30 36.439 27.141 33.079 1.00 11.30 H new ATOM 0 HD11 LEU A 30 37.436 26.072 31.249 1.00 9.59 H new ATOM 0 HD12 LEU A 30 38.042 27.526 31.415 1.00 9.59 H new ATOM 0 HD13 LEU A 30 38.862 26.264 31.908 1.00 9.59 H new ATOM 0 HD21 LEU A 30 36.668 24.801 33.271 1.00 12.59 H new ATOM 0 HD22 LEU A 30 38.084 24.995 33.952 1.00 12.59 H new ATOM 0 HD23 LEU A 30 36.773 25.465 34.705 1.00 12.59 H new ATOM 255 N GLN A 31 36.461 30.195 34.500 1.00 6.63 N ATOM 256 CA GLN A 31 35.193 30.913 34.424 1.00 6.70 C ATOM 257 C GLN A 31 35.363 32.224 33.652 1.00 6.07 C ATOM 258 O GLN A 31 34.508 32.591 32.845 1.00 7.08 O ATOM 259 CB GLN A 31 34.655 31.206 35.831 1.00 6.94 C ATOM 260 CG GLN A 31 34.518 29.968 36.722 1.00 7.48 C ATOM 261 CD GLN A 31 33.914 30.283 38.083 1.00 10.66 C ATOM 262 OE1 GLN A 31 33.897 29.437 38.982 1.00 12.54 O ATOM 263 NE2 GLN A 31 33.408 31.502 38.238 1.00 5.43 N ATOM 0 H GLN A 31 36.735 30.039 35.300 1.00 6.63 H new ATOM 0 HA GLN A 31 34.557 30.352 33.954 1.00 6.70 H new ATOM 0 HB2 GLN A 31 35.245 31.841 36.266 1.00 6.94 H new ATOM 0 HB3 GLN A 31 33.787 31.633 35.752 1.00 6.94 H new ATOM 0 HG2 GLN A 31 33.965 29.311 36.272 1.00 7.48 H new ATOM 0 HG3 GLN A 31 35.392 29.566 36.846 1.00 7.48 H new ATOM 0 HE21 GLN A 31 33.438 32.066 37.589 1.00 5.43 H new ATOM 0 HE22 GLN A 31 33.051 31.727 38.987 1.00 5.43 H new ATOM 264 N LEU A 32 36.466 32.925 33.895 1.00 6.16 N ATOM 265 CA LEU A 32 36.731 34.185 33.203 1.00 8.48 C ATOM 266 C LEU A 32 36.852 34.001 31.692 1.00 9.33 C ATOM 267 O LEU A 32 36.310 34.793 30.920 1.00 8.88 O ATOM 268 CB LEU A 32 38.017 34.819 33.740 1.00 9.85 C ATOM 269 CG LEU A 32 37.877 35.895 34.817 1.00 13.99 C ATOM 270 CD1 LEU A 32 36.815 35.513 35.821 1.00 12.91 C ATOM 271 CD2 LEU A 32 39.227 36.108 35.485 1.00 12.57 C ATOM 0 H LEU A 32 37.074 32.690 34.456 1.00 6.16 H new ATOM 0 HA LEU A 32 35.974 34.768 33.373 1.00 8.48 H new ATOM 0 HB2 LEU A 32 38.574 34.110 34.096 1.00 9.85 H new ATOM 0 HB3 LEU A 32 38.496 35.206 32.990 1.00 9.85 H new ATOM 0 HG LEU A 32 37.595 36.729 34.409 1.00 13.99 H new ATOM 0 HD11 LEU A 32 36.742 36.207 36.495 1.00 12.91 H new ATOM 0 HD12 LEU A 32 35.963 35.411 35.368 1.00 12.91 H new ATOM 0 HD13 LEU A 32 37.057 34.675 36.246 1.00 12.91 H new ATOM 0 HD21 LEU A 32 39.145 36.790 36.170 1.00 12.57 H new ATOM 0 HD22 LEU A 32 39.523 35.278 35.890 1.00 12.57 H new ATOM 0 HD23 LEU A 32 39.875 36.392 34.822 1.00 12.57 H new ATOM 272 N GLU A 33 37.567 32.958 31.281 1.00 10.44 N ATOM 273 CA GLU A 33 37.777 32.665 29.867 1.00 11.32 C ATOM 274 C GLU A 33 36.445 32.406 29.184 1.00 10.35 C ATOM 275 O GLU A 33 36.241 32.761 28.021 1.00 10.04 O ATOM 276 CB GLU A 33 38.678 31.441 29.714 1.00 12.67 C ATOM 277 CG GLU A 33 40.106 31.655 30.196 1.00 20.69 C ATOM 278 CD GLU A 33 40.857 32.662 29.343 1.00 24.00 C ATOM 279 OE1 GLU A 33 41.024 32.407 28.131 1.00 29.53 O ATOM 280 OE2 GLU A 33 41.286 33.705 29.881 1.00 27.27 O ATOM 0 H GLU A 33 37.945 32.400 31.815 1.00 10.44 H new ATOM 0 HA GLU A 33 38.205 33.430 29.451 1.00 11.32 H new ATOM 0 HB2 GLU A 33 38.288 30.701 30.206 1.00 12.67 H new ATOM 0 HB3 GLU A 33 38.698 31.181 28.780 1.00 12.67 H new ATOM 0 HG2 GLU A 33 40.092 31.960 31.117 1.00 20.69 H new ATOM 0 HG3 GLU A 33 40.579 30.808 30.185 1.00 20.69 H new ATOM 281 N VAL A 34 35.543 31.768 29.916 1.00 8.49 N ATOM 282 CA VAL A 34 34.220 31.472 29.394 1.00 5.88 C ATOM 283 C VAL A 34 33.462 32.762 29.098 1.00 7.69 C ATOM 284 O VAL A 34 32.939 32.947 27.997 1.00 6.75 O ATOM 285 CB VAL A 34 33.412 30.616 30.398 1.00 6.96 C ATOM 286 CG1 VAL A 34 31.939 30.581 29.998 1.00 8.30 C ATOM 287 CG2 VAL A 34 33.974 29.201 30.427 1.00 7.25 C ATOM 0 H VAL A 34 35.679 31.497 30.721 1.00 8.49 H new ATOM 0 HA VAL A 34 34.330 30.970 28.571 1.00 5.88 H new ATOM 0 HB VAL A 34 33.485 31.011 31.281 1.00 6.96 H new ATOM 0 HG11 VAL A 34 31.443 30.042 30.634 1.00 8.30 H new ATOM 0 HG12 VAL A 34 31.583 31.483 29.993 1.00 8.30 H new ATOM 0 HG13 VAL A 34 31.853 30.195 29.112 1.00 8.30 H new ATOM 0 HG21 VAL A 34 33.467 28.664 31.056 1.00 7.25 H new ATOM 0 HG22 VAL A 34 33.909 28.809 29.542 1.00 7.25 H new ATOM 0 HG23 VAL A 34 34.904 29.228 30.701 1.00 7.25 H new ATOM 288 N PHE A 35 33.409 33.669 30.064 1.00 7.23 N ATOM 289 CA PHE A 35 32.676 34.904 29.834 1.00 9.45 C ATOM 290 C PHE A 35 33.372 35.915 28.927 1.00 9.63 C ATOM 291 O PHE A 35 32.747 36.863 28.457 1.00 11.33 O ATOM 292 CB PHE A 35 32.261 35.506 31.173 1.00 10.42 C ATOM 293 CG PHE A 35 31.125 34.759 31.814 1.00 9.82 C ATOM 294 CD1 PHE A 35 29.809 35.188 31.650 1.00 11.65 C ATOM 295 CD2 PHE A 35 31.361 33.569 32.497 1.00 9.45 C ATOM 296 CE1 PHE A 35 28.744 34.442 32.153 1.00 9.98 C ATOM 297 CE2 PHE A 35 30.306 32.812 33.003 1.00 9.26 C ATOM 298 CZ PHE A 35 28.992 33.247 32.831 1.00 9.93 C ATOM 0 H PHE A 35 33.778 33.594 30.837 1.00 7.23 H new ATOM 0 HA PHE A 35 31.885 34.665 29.326 1.00 9.45 H new ATOM 0 HB2 PHE A 35 33.023 35.507 31.773 1.00 10.42 H new ATOM 0 HB3 PHE A 35 32.002 36.431 31.042 1.00 10.42 H new ATOM 0 HD1 PHE A 35 29.639 35.983 31.199 1.00 11.65 H new ATOM 0 HD2 PHE A 35 32.235 33.275 32.617 1.00 9.45 H new ATOM 0 HE1 PHE A 35 27.871 34.740 32.037 1.00 9.98 H new ATOM 0 HE2 PHE A 35 30.478 32.018 33.455 1.00 9.26 H new ATOM 0 HZ PHE A 35 28.285 32.744 33.166 1.00 9.93 H new ATOM 299 N LYS A 36 34.658 35.707 28.663 1.00 9.98 N ATOM 300 CA LYS A 36 35.370 36.592 27.751 1.00 11.35 C ATOM 301 C LYS A 36 34.834 36.305 26.349 1.00 12.91 C ATOM 302 O LYS A 36 34.854 37.171 25.471 1.00 12.64 O ATOM 303 CB LYS A 36 36.873 36.321 27.792 1.00 12.51 C ATOM 304 CG LYS A 36 37.582 36.967 28.959 1.00 15.76 C ATOM 305 CD LYS A 36 39.072 36.683 28.909 1.00 21.07 C ATOM 306 CE LYS A 36 39.817 37.492 29.952 1.00 23.15 C ATOM 307 NZ LYS A 36 41.270 37.177 29.937 1.00 26.84 N ATOM 0 H LYS A 36 35.130 35.070 28.996 1.00 9.98 H new ATOM 0 HA LYS A 36 35.233 37.519 28.003 1.00 11.35 H new ATOM 0 HB2 LYS A 36 37.019 35.363 27.827 1.00 12.51 H new ATOM 0 HB3 LYS A 36 37.272 36.638 26.967 1.00 12.51 H new ATOM 0 HG2 LYS A 36 37.430 37.925 28.945 1.00 15.76 H new ATOM 0 HG3 LYS A 36 37.213 36.634 29.792 1.00 15.76 H new ATOM 0 HD2 LYS A 36 39.229 35.737 29.056 1.00 21.07 H new ATOM 0 HD3 LYS A 36 39.415 36.894 28.026 1.00 21.07 H new ATOM 0 HE2 LYS A 36 39.687 38.439 29.785 1.00 23.15 H new ATOM 0 HE3 LYS A 36 39.452 37.306 30.831 1.00 23.15 H new ATOM 0 HZ1 LYS A 36 41.686 37.663 30.556 1.00 26.84 H new ATOM 0 HZ2 LYS A 36 41.388 36.312 30.110 1.00 26.84 H new ATOM 0 HZ3 LYS A 36 41.607 37.367 29.136 1.00 26.84 H new ATOM 308 N LYS A 37 34.356 35.079 26.146 1.00 12.69 N ATOM 309 CA LYS A 37 33.808 34.680 24.852 1.00 13.98 C ATOM 310 C LYS A 37 32.312 34.958 24.790 1.00 14.61 C ATOM 311 O LYS A 37 31.798 35.412 23.768 1.00 14.50 O ATOM 312 CB LYS A 37 34.064 33.194 24.592 1.00 15.96 C ATOM 313 CG LYS A 37 35.536 32.821 24.545 1.00 15.81 C ATOM 314 CD LYS A 37 35.734 31.430 23.972 1.00 19.15 C ATOM 315 CE LYS A 37 37.212 31.089 23.862 1.00 22.48 C ATOM 316 NZ LYS A 37 37.435 29.807 23.135 1.00 23.62 N ATOM 0 H LYS A 37 34.340 34.463 26.746 1.00 12.69 H new ATOM 0 HA LYS A 37 34.254 35.203 24.167 1.00 13.98 H new ATOM 0 HB2 LYS A 37 33.630 32.674 25.286 1.00 15.96 H new ATOM 0 HB3 LYS A 37 33.650 32.946 23.751 1.00 15.96 H new ATOM 0 HG2 LYS A 37 36.018 33.467 24.006 1.00 15.81 H new ATOM 0 HG3 LYS A 37 35.911 32.861 25.439 1.00 15.81 H new ATOM 0 HD2 LYS A 37 35.290 30.778 24.536 1.00 19.15 H new ATOM 0 HD3 LYS A 37 35.320 31.376 23.096 1.00 19.15 H new ATOM 0 HE2 LYS A 37 37.675 31.806 23.402 1.00 22.48 H new ATOM 0 HE3 LYS A 37 37.596 31.027 24.751 1.00 22.48 H new ATOM 0 HZ1 LYS A 37 38.308 29.639 23.089 1.00 23.62 H new ATOM 0 HZ2 LYS A 37 37.028 29.145 23.569 1.00 23.62 H new ATOM 0 HZ3 LYS A 37 37.102 29.870 22.312 1.00 23.62 H new ATOM 317 N LEU A 38 31.615 34.682 25.888 1.00 14.16 N ATOM 318 CA LEU A 38 30.182 34.914 25.953 1.00 15.38 C ATOM 319 C LEU A 38 29.917 36.332 26.450 1.00 16.20 C ATOM 320 O LEU A 38 29.428 36.531 27.560 1.00 14.79 O ATOM 321 CB LEU A 38 29.535 33.894 26.889 1.00 16.65 C ATOM 322 CG LEU A 38 29.755 32.431 26.506 1.00 15.63 C ATOM 323 CD1 LEU A 38 29.014 31.524 27.477 1.00 16.01 C ATOM 324 CD2 LEU A 38 29.265 32.200 25.084 1.00 16.25 C ATOM 0 H LEU A 38 31.957 34.359 26.608 1.00 14.16 H new ATOM 0 HA LEU A 38 29.797 34.813 25.069 1.00 15.38 H new ATOM 0 HB2 LEU A 38 29.879 34.034 27.785 1.00 16.65 H new ATOM 0 HB3 LEU A 38 28.581 34.065 26.921 1.00 16.65 H new ATOM 0 HG LEU A 38 30.701 32.223 26.551 1.00 15.63 H new ATOM 0 HD11 LEU A 38 29.158 30.597 27.228 1.00 16.01 H new ATOM 0 HD12 LEU A 38 29.346 31.672 28.376 1.00 16.01 H new ATOM 0 HD13 LEU A 38 28.065 31.723 27.446 1.00 16.01 H new ATOM 0 HD21 LEU A 38 29.404 31.272 24.840 1.00 16.25 H new ATOM 0 HD22 LEU A 38 28.320 32.410 25.029 1.00 16.25 H new ATOM 0 HD23 LEU A 38 29.758 32.771 24.475 1.00 16.25 H new ATOM 325 N GLN A 39 30.239 37.317 25.617 1.00 17.24 N ATOM 326 CA GLN A 39 30.052 38.717 25.977 1.00 18.59 C ATOM 327 C GLN A 39 28.583 39.087 26.168 1.00 19.55 C ATOM 328 O GLN A 39 28.270 40.150 26.706 1.00 20.55 O ATOM 329 CB GLN A 39 30.686 39.615 24.911 1.00 22.27 C ATOM 330 CG GLN A 39 32.185 39.404 24.746 1.00 26.35 C ATOM 331 CD GLN A 39 32.782 40.260 23.644 1.00 29.74 C ATOM 332 OE1 GLN A 39 32.665 41.487 23.657 1.00 32.43 O ATOM 333 NE2 GLN A 39 33.432 39.614 22.683 1.00 32.03 N ATOM 0 H GLN A 39 30.570 37.193 24.833 1.00 17.24 H new ATOM 0 HA GLN A 39 30.490 38.855 26.831 1.00 18.59 H new ATOM 0 HB2 GLN A 39 30.249 39.452 24.061 1.00 22.27 H new ATOM 0 HB3 GLN A 39 30.521 40.543 25.141 1.00 22.27 H new ATOM 0 HG2 GLN A 39 32.630 39.606 25.584 1.00 26.35 H new ATOM 0 HG3 GLN A 39 32.356 38.469 24.552 1.00 26.35 H new ATOM 0 HE21 GLN A 39 33.493 38.757 22.707 1.00 32.03 H new ATOM 0 HE22 GLN A 39 33.792 40.053 22.037 1.00 32.03 H new ATOM 334 N ASP A 40 27.689 38.205 25.730 1.00 19.14 N ATOM 335 CA ASP A 40 26.252 38.429 25.854 1.00 20.20 C ATOM 336 C ASP A 40 25.678 37.834 27.139 1.00 18.81 C ATOM 337 O ASP A 40 24.475 37.915 27.385 1.00 19.25 O ATOM 338 CB ASP A 40 25.515 37.837 24.647 1.00 23.83 C ATOM 339 CG ASP A 40 26.231 36.638 24.048 1.00 27.18 C ATOM 340 OD1 ASP A 40 26.591 35.700 24.796 1.00 26.31 O ATOM 341 OD2 ASP A 40 26.429 36.633 22.813 1.00 30.88 O ATOM 0 H ASP A 40 27.898 37.461 25.353 1.00 19.14 H new ATOM 0 HA ASP A 40 26.120 39.389 25.886 1.00 20.20 H new ATOM 0 HB2 ASP A 40 24.622 37.573 24.917 1.00 23.83 H new ATOM 0 HB3 ASP A 40 25.415 38.521 23.967 1.00 23.83 H new ATOM 342 N GLU A 41 26.541 37.230 27.948 1.00 15.32 N ATOM 343 CA GLU A 41 26.114 36.631 29.205 1.00 14.28 C ATOM 344 C GLU A 41 26.745 37.398 30.362 1.00 12.02 C ATOM 345 O GLU A 41 27.646 38.213 30.159 1.00 12.65 O ATOM 346 CB GLU A 41 26.533 35.156 29.268 1.00 15.74 C ATOM 347 CG GLU A 41 25.902 34.260 28.201 1.00 20.30 C ATOM 348 CD GLU A 41 24.388 34.171 28.313 1.00 23.23 C ATOM 349 OE1 GLU A 41 23.881 33.852 29.412 1.00 24.22 O ATOM 350 OE2 GLU A 41 23.700 34.410 27.297 1.00 25.50 O ATOM 0 H GLU A 41 27.382 37.156 27.786 1.00 15.32 H new ATOM 0 HA GLU A 41 25.147 36.677 29.267 1.00 14.28 H new ATOM 0 HB2 GLU A 41 27.498 35.104 29.186 1.00 15.74 H new ATOM 0 HB3 GLU A 41 26.304 34.805 30.143 1.00 15.74 H new ATOM 0 HG2 GLU A 41 26.136 34.599 27.323 1.00 20.30 H new ATOM 0 HG3 GLU A 41 26.279 33.369 28.271 1.00 20.30 H new ATOM 351 N LYS A 42 26.266 37.139 31.573 1.00 11.57 N ATOM 352 CA LYS A 42 26.781 37.815 32.756 1.00 9.23 C ATOM 353 C LYS A 42 27.067 36.811 33.866 1.00 7.56 C ATOM 354 O LYS A 42 26.339 35.833 34.029 1.00 7.22 O ATOM 355 CB LYS A 42 25.765 38.859 33.238 1.00 12.83 C ATOM 356 CG LYS A 42 25.292 39.798 32.132 1.00 19.18 C ATOM 357 CD LYS A 42 24.189 40.741 32.598 1.00 24.09 C ATOM 358 CE LYS A 42 23.691 41.605 31.444 1.00 26.00 C ATOM 359 NZ LYS A 42 22.608 42.536 31.866 1.00 27.59 N ATOM 0 H LYS A 42 25.639 36.572 31.731 1.00 11.57 H new ATOM 0 HA LYS A 42 27.612 38.259 32.525 1.00 9.23 H new ATOM 0 HB2 LYS A 42 24.997 38.403 33.617 1.00 12.83 H new ATOM 0 HB3 LYS A 42 26.163 39.383 33.950 1.00 12.83 H new ATOM 0 HG2 LYS A 42 26.044 40.319 31.811 1.00 19.18 H new ATOM 0 HG3 LYS A 42 24.970 39.273 31.383 1.00 19.18 H new ATOM 0 HD2 LYS A 42 23.452 40.227 32.964 1.00 24.09 H new ATOM 0 HD3 LYS A 42 24.522 41.308 33.311 1.00 24.09 H new ATOM 0 HE2 LYS A 42 24.432 42.116 31.081 1.00 26.00 H new ATOM 0 HE3 LYS A 42 23.365 41.033 30.731 1.00 26.00 H new ATOM 0 HZ1 LYS A 42 22.395 43.071 31.187 1.00 27.59 H new ATOM 0 HZ2 LYS A 42 21.892 42.067 32.110 1.00 27.59 H new ATOM 0 HZ3 LYS A 42 22.889 43.027 32.553 1.00 27.59 H new ATOM 360 N LEU A 43 28.143 37.042 34.615 1.00 7.30 N ATOM 361 CA LEU A 43 28.504 36.155 35.723 1.00 5.37 C ATOM 362 C LEU A 43 28.667 36.933 37.023 1.00 5.58 C ATOM 363 O LEU A 43 29.353 37.954 37.065 1.00 5.37 O ATOM 364 CB LEU A 43 29.813 35.408 35.424 1.00 5.60 C ATOM 365 CG LEU A 43 30.378 34.554 36.566 1.00 6.36 C ATOM 366 CD1 LEU A 43 29.431 33.399 36.873 1.00 7.79 C ATOM 367 CD2 LEU A 43 31.757 34.013 36.181 1.00 6.16 C ATOM 0 H LEU A 43 28.678 37.706 34.500 1.00 7.30 H new ATOM 0 HA LEU A 43 27.781 35.516 35.822 1.00 5.37 H new ATOM 0 HB2 LEU A 43 29.668 34.834 34.656 1.00 5.60 H new ATOM 0 HB3 LEU A 43 30.485 36.059 35.168 1.00 5.60 H new ATOM 0 HG LEU A 43 30.466 35.107 37.358 1.00 6.36 H new ATOM 0 HD11 LEU A 43 29.796 32.865 37.596 1.00 7.79 H new ATOM 0 HD12 LEU A 43 28.566 33.751 37.136 1.00 7.79 H new ATOM 0 HD13 LEU A 43 29.328 32.846 36.083 1.00 7.79 H new ATOM 0 HD21 LEU A 43 32.108 33.474 36.907 1.00 6.16 H new ATOM 0 HD22 LEU A 43 31.679 33.467 35.383 1.00 6.16 H new ATOM 0 HD23 LEU A 43 32.359 34.754 36.009 1.00 6.16 H new ATOM 368 N TYR A 44 28.010 36.452 38.074 1.00 5.26 N ATOM 369 CA TYR A 44 28.106 37.054 39.400 1.00 7.31 C ATOM 370 C TYR A 44 28.867 36.035 40.236 1.00 5.23 C ATOM 371 O TYR A 44 28.418 34.901 40.389 1.00 6.01 O ATOM 372 CB TYR A 44 26.719 37.270 40.021 1.00 9.29 C ATOM 373 CG TYR A 44 25.896 38.384 39.408 1.00 11.65 C ATOM 374 CD1 TYR A 44 26.328 39.058 38.265 1.00 14.22 C ATOM 375 CD2 TYR A 44 24.681 38.772 39.984 1.00 13.27 C ATOM 376 CE1 TYR A 44 25.575 40.092 37.712 1.00 15.88 C ATOM 377 CE2 TYR A 44 23.922 39.806 39.437 1.00 14.49 C ATOM 378 CZ TYR A 44 24.378 40.462 38.305 1.00 17.51 C ATOM 379 OH TYR A 44 23.651 41.504 37.769 1.00 19.32 O ATOM 0 H TYR A 44 27.494 35.765 38.038 1.00 5.26 H new ATOM 0 HA TYR A 44 28.538 37.921 39.358 1.00 7.31 H new ATOM 0 HB2 TYR A 44 26.218 36.442 39.950 1.00 9.29 H new ATOM 0 HB3 TYR A 44 26.831 37.454 40.967 1.00 9.29 H new ATOM 0 HD1 TYR A 44 27.131 38.813 37.866 1.00 14.22 H new ATOM 0 HD2 TYR A 44 24.375 38.333 40.744 1.00 13.27 H new ATOM 0 HE1 TYR A 44 25.874 40.532 36.949 1.00 15.88 H new ATOM 0 HE2 TYR A 44 23.116 40.053 39.829 1.00 14.49 H new ATOM 0 HH TYR A 44 22.953 41.621 38.222 1.00 19.32 H new ATOM 380 N ILE A 45 30.020 36.433 40.764 1.00 6.27 N ATOM 381 CA ILE A 45 30.840 35.543 41.572 1.00 4.15 C ATOM 382 C ILE A 45 30.729 35.875 43.055 1.00 6.95 C ATOM 383 O ILE A 45 31.019 36.995 43.472 1.00 7.19 O ATOM 384 CB ILE A 45 32.331 35.635 41.180 1.00 6.48 C ATOM 385 CG1 ILE A 45 32.515 35.257 39.711 1.00 5.92 C ATOM 386 CG2 ILE A 45 33.162 34.725 42.082 1.00 5.09 C ATOM 387 CD1 ILE A 45 33.943 35.319 39.242 1.00 9.83 C ATOM 0 H ILE A 45 30.346 37.222 40.664 1.00 6.27 H new ATOM 0 HA ILE A 45 30.508 34.647 41.407 1.00 4.15 H new ATOM 0 HB ILE A 45 32.635 36.548 41.298 1.00 6.48 H new ATOM 0 HG12 ILE A 45 32.177 34.359 39.572 1.00 5.92 H new ATOM 0 HG13 ILE A 45 31.978 35.850 39.163 1.00 5.92 H new ATOM 0 HG21 ILE A 45 34.097 34.787 41.831 1.00 5.09 H new ATOM 0 HG22 ILE A 45 33.056 35.001 43.006 1.00 5.09 H new ATOM 0 HG23 ILE A 45 32.861 33.808 41.983 1.00 5.09 H new ATOM 0 HD11 ILE A 45 33.988 35.068 38.306 1.00 9.83 H new ATOM 0 HD12 ILE A 45 34.281 36.222 39.351 1.00 9.83 H new ATOM 0 HD13 ILE A 45 34.483 34.707 39.766 1.00 9.83 H new ATOM 388 N VAL A 46 30.299 34.895 43.839 1.00 6.05 N ATOM 389 CA VAL A 46 30.176 35.060 45.279 1.00 7.50 C ATOM 390 C VAL A 46 31.403 34.414 45.904 1.00 7.96 C ATOM 391 O VAL A 46 31.643 33.223 45.712 1.00 8.71 O ATOM 392 CB VAL A 46 28.921 34.357 45.816 1.00 6.93 C ATOM 393 CG1 VAL A 46 28.950 34.331 47.343 1.00 8.27 C ATOM 394 CG2 VAL A 46 27.675 35.071 45.316 1.00 7.71 C ATOM 0 H VAL A 46 30.071 34.117 43.551 1.00 6.05 H new ATOM 0 HA VAL A 46 30.106 36.003 45.496 1.00 7.50 H new ATOM 0 HB VAL A 46 28.904 33.442 45.493 1.00 6.93 H new ATOM 0 HG11 VAL A 46 28.155 33.886 47.674 1.00 8.27 H new ATOM 0 HG12 VAL A 46 29.738 33.851 47.644 1.00 8.27 H new ATOM 0 HG13 VAL A 46 28.976 35.240 47.682 1.00 8.27 H new ATOM 0 HG21 VAL A 46 26.886 34.623 45.658 1.00 7.71 H new ATOM 0 HG22 VAL A 46 27.683 35.991 45.624 1.00 7.71 H new ATOM 0 HG23 VAL A 46 27.660 35.056 44.346 1.00 7.71 H new ATOM 395 N GLY A 47 32.181 35.201 46.638 1.00 9.14 N ATOM 396 CA GLY A 47 33.372 34.671 47.277 1.00 11.36 C ATOM 397 C GLY A 47 34.442 35.738 47.386 1.00 12.63 C ATOM 398 O GLY A 47 34.538 36.612 46.531 1.00 14.13 O ATOM 0 H GLY A 47 32.037 36.037 46.776 1.00 9.14 H new ATOM 0 HA2 GLY A 47 33.150 34.338 48.161 1.00 11.36 H new ATOM 0 HA3 GLY A 47 33.710 33.918 46.767 1.00 11.36 H new ATOM 399 N TRP A 48 35.246 35.687 48.438 1.00 15.29 N ATOM 400 CA TRP A 48 36.293 36.685 48.586 1.00 16.76 C ATOM 401 C TRP A 48 37.600 36.011 48.959 1.00 16.58 C ATOM 402 O TRP A 48 37.841 34.861 48.594 1.00 16.19 O ATOM 403 CB TRP A 48 35.908 37.705 49.657 1.00 19.00 C ATOM 404 CG TRP A 48 36.598 39.030 49.504 1.00 21.84 C ATOM 405 CD1 TRP A 48 37.249 39.730 50.478 1.00 22.78 C ATOM 406 CD2 TRP A 48 36.656 39.840 48.318 1.00 21.86 C ATOM 407 NE1 TRP A 48 37.704 40.928 49.977 1.00 23.01 N ATOM 408 CE2 TRP A 48 37.352 41.022 48.662 1.00 23.70 C ATOM 409 CE3 TRP A 48 36.181 39.684 47.011 1.00 22.57 C ATOM 410 CZ2 TRP A 48 37.588 42.044 47.730 1.00 22.57 C ATOM 411 CZ3 TRP A 48 36.416 40.700 46.089 1.00 23.14 C ATOM 412 CH2 TRP A 48 37.112 41.867 46.456 1.00 24.72 C ATOM 0 H TRP A 48 35.205 35.098 49.063 1.00 15.29 H new ATOM 0 HA TRP A 48 36.404 37.148 47.741 1.00 16.76 H new ATOM 0 HB2 TRP A 48 34.948 37.844 49.630 1.00 19.00 H new ATOM 0 HB3 TRP A 48 36.117 37.339 50.531 1.00 19.00 H new ATOM 0 HD1 TRP A 48 37.368 39.439 51.353 1.00 22.78 H new ATOM 0 HE1 TRP A 48 38.140 41.522 50.421 1.00 23.01 H new ATOM 0 HE3 TRP A 48 35.718 38.917 46.763 1.00 22.57 H new ATOM 0 HZ2 TRP A 48 38.051 42.815 47.968 1.00 22.57 H new ATOM 0 HZ3 TRP A 48 36.108 40.606 45.216 1.00 23.14 H new ATOM 0 HH2 TRP A 48 37.252 42.532 45.821 1.00 24.72 H new ATOM 413 N PHE A 49 38.442 36.728 49.689 1.00 16.89 N ATOM 414 CA PHE A 49 39.725 36.184 50.113 1.00 18.51 C ATOM 415 C PHE A 49 40.124 36.821 51.431 1.00 18.95 C ATOM 416 O PHE A 49 39.511 37.794 51.870 1.00 19.10 O ATOM 417 CB PHE A 49 40.789 36.461 49.050 1.00 18.72 C ATOM 418 CG PHE A 49 41.010 37.921 48.789 1.00 20.28 C ATOM 419 CD1 PHE A 49 41.941 38.645 49.530 1.00 21.62 C ATOM 420 CD2 PHE A 49 40.269 38.580 47.814 1.00 22.00 C ATOM 421 CE1 PHE A 49 42.128 40.004 49.303 1.00 21.46 C ATOM 422 CE2 PHE A 49 40.448 39.937 47.580 1.00 22.08 C ATOM 423 CZ PHE A 49 41.381 40.653 48.325 1.00 22.92 C ATOM 0 H PHE A 49 38.290 37.533 49.950 1.00 16.89 H new ATOM 0 HA PHE A 49 39.648 35.224 50.229 1.00 18.51 H new ATOM 0 HB2 PHE A 49 41.627 36.060 49.329 1.00 18.72 H new ATOM 0 HB3 PHE A 49 40.529 36.028 48.222 1.00 18.72 H new ATOM 0 HD1 PHE A 49 42.443 38.215 50.184 1.00 21.62 H new ATOM 0 HD2 PHE A 49 39.646 38.106 47.312 1.00 22.00 H new ATOM 0 HE1 PHE A 49 42.751 40.478 49.804 1.00 21.46 H new ATOM 0 HE2 PHE A 49 39.945 40.367 46.926 1.00 22.08 H new ATOM 0 HZ PHE A 49 41.504 41.562 48.170 1.00 22.92 H new ATOM 424 N SER A 50 41.157 36.269 52.053 1.00 19.31 N ATOM 425 CA SER A 50 41.636 36.780 53.327 1.00 19.49 C ATOM 426 C SER A 50 42.688 37.863 53.139 1.00 18.98 C ATOM 427 O SER A 50 43.789 37.593 52.662 1.00 17.75 O ATOM 428 CB SER A 50 42.224 35.645 54.163 1.00 19.46 C ATOM 429 OG SER A 50 42.697 36.141 55.403 1.00 21.90 O ATOM 0 H SER A 50 41.596 35.594 51.751 1.00 19.31 H new ATOM 0 HA SER A 50 40.876 37.169 53.787 1.00 19.49 H new ATOM 0 HB2 SER A 50 41.550 34.965 54.316 1.00 19.46 H new ATOM 0 HB3 SER A 50 42.950 35.221 53.679 1.00 19.46 H new ATOM 0 HG SER A 50 43.017 35.509 55.854 1.00 21.90 H new ATOM 430 N LYS A 51 42.339 39.090 53.515 1.00 19.30 N ATOM 431 CA LYS A 51 43.254 40.217 53.402 1.00 20.99 C ATOM 432 C LYS A 51 44.550 39.925 54.152 1.00 20.12 C ATOM 433 O LYS A 51 44.530 39.387 55.261 1.00 17.90 O ATOM 434 CB LYS A 51 42.614 41.482 53.977 1.00 23.91 C ATOM 435 CG LYS A 51 43.574 42.655 54.064 1.00 27.21 C ATOM 436 CD LYS A 51 43.123 43.675 55.094 1.00 28.34 C ATOM 437 CE LYS A 51 44.319 44.463 55.607 1.00 29.39 C ATOM 438 NZ LYS A 51 45.401 43.548 56.091 1.00 28.15 N ATOM 0 H LYS A 51 41.569 39.290 53.841 1.00 19.30 H new ATOM 0 HA LYS A 51 43.450 40.355 52.462 1.00 20.99 H new ATOM 0 HB2 LYS A 51 41.856 41.733 53.426 1.00 23.91 H new ATOM 0 HB3 LYS A 51 42.269 41.288 54.863 1.00 23.91 H new ATOM 0 HG2 LYS A 51 44.459 42.332 54.294 1.00 27.21 H new ATOM 0 HG3 LYS A 51 43.644 43.081 53.195 1.00 27.21 H new ATOM 0 HD2 LYS A 51 42.474 44.278 54.700 1.00 28.34 H new ATOM 0 HD3 LYS A 51 42.681 43.227 55.832 1.00 28.34 H new ATOM 0 HE2 LYS A 51 44.664 45.030 54.900 1.00 29.39 H new ATOM 0 HE3 LYS A 51 44.039 45.048 56.329 1.00 29.39 H new ATOM 0 HZ1 LYS A 51 45.902 43.972 56.692 1.00 28.15 H new ATOM 0 HZ2 LYS A 51 45.036 42.828 56.465 1.00 28.15 H new ATOM 0 HZ3 LYS A 51 45.909 43.299 55.404 1.00 28.15 H new ATOM 439 N GLY A 52 45.674 40.288 53.542 1.00 19.56 N ATOM 440 CA GLY A 52 46.963 40.060 54.168 1.00 21.22 C ATOM 441 C GLY A 52 47.557 38.703 53.846 1.00 21.14 C ATOM 442 O GLY A 52 48.744 38.472 54.068 1.00 23.08 O ATOM 0 H GLY A 52 45.709 40.665 52.770 1.00 19.56 H new ATOM 0 HA2 GLY A 52 47.580 40.752 53.883 1.00 21.22 H new ATOM 0 HA3 GLY A 52 46.867 40.144 55.130 1.00 21.22 H new ATOM 443 N ASP A 53 46.732 37.800 53.322 1.00 20.82 N ATOM 444 CA ASP A 53 47.186 36.458 52.971 1.00 19.58 C ATOM 445 C ASP A 53 47.769 36.420 51.562 1.00 19.76 C ATOM 446 O ASP A 53 47.473 37.277 50.736 1.00 18.00 O ATOM 447 CB ASP A 53 46.026 35.468 53.082 1.00 20.27 C ATOM 448 CG ASP A 53 45.768 35.029 54.514 1.00 22.39 C ATOM 449 OD1 ASP A 53 45.929 35.863 55.433 1.00 22.71 O ATOM 450 OD2 ASP A 53 45.400 33.852 54.717 1.00 21.89 O ATOM 0 H ASP A 53 45.900 37.947 53.161 1.00 20.82 H new ATOM 0 HA ASP A 53 47.886 36.206 53.593 1.00 19.58 H new ATOM 0 HB2 ASP A 53 45.222 35.875 52.722 1.00 20.27 H new ATOM 0 HB3 ASP A 53 46.217 34.688 52.538 1.00 20.27 H new ATOM 451 N HIS A 54 48.600 35.418 51.298 1.00 20.34 N ATOM 452 CA HIS A 54 49.231 35.268 49.994 1.00 20.89 C ATOM 453 C HIS A 54 48.234 35.168 48.846 1.00 19.66 C ATOM 454 O HIS A 54 48.511 35.624 47.733 1.00 19.30 O ATOM 455 CB HIS A 54 50.134 34.035 49.991 1.00 22.97 C ATOM 456 CG HIS A 54 50.520 33.572 48.622 1.00 25.24 C ATOM 457 ND1 HIS A 54 49.850 32.562 47.959 1.00 27.55 N ATOM 458 CD2 HIS A 54 51.494 33.986 47.777 1.00 25.61 C ATOM 459 CE1 HIS A 54 50.395 32.376 46.773 1.00 26.58 C ATOM 460 NE2 HIS A 54 51.398 33.231 46.637 1.00 27.93 N ATOM 0 H HIS A 54 48.813 34.809 51.867 1.00 20.34 H new ATOM 0 HA HIS A 54 49.751 36.074 49.847 1.00 20.89 H new ATOM 0 HB2 HIS A 54 50.939 34.233 50.495 1.00 22.97 H new ATOM 0 HB3 HIS A 54 49.681 33.312 50.452 1.00 22.97 H new ATOM 0 HD2 HIS A 54 52.114 34.659 47.940 1.00 25.61 H new ATOM 0 HE1 HIS A 54 50.122 31.752 46.140 1.00 26.58 H new ATOM 0 HE2 HIS A 54 51.906 33.301 45.946 1.00 27.93 H new ATOM 461 N ALA A 55 47.080 34.569 49.120 1.00 17.89 N ATOM 462 CA ALA A 55 46.042 34.394 48.110 1.00 17.59 C ATOM 463 C ALA A 55 45.560 35.720 47.541 1.00 15.38 C ATOM 464 O ALA A 55 44.947 35.766 46.474 1.00 15.65 O ATOM 465 CB ALA A 55 44.873 33.638 48.706 1.00 19.91 C ATOM 0 H ALA A 55 46.877 34.253 49.894 1.00 17.89 H new ATOM 0 HA ALA A 55 46.430 33.888 47.379 1.00 17.59 H new ATOM 0 HB1 ALA A 55 44.184 33.523 48.032 1.00 19.91 H new ATOM 0 HB2 ALA A 55 45.173 32.768 49.013 1.00 19.91 H new ATOM 0 HB3 ALA A 55 44.512 34.138 49.455 1.00 19.91 H new ATOM 466 N GLU A 56 45.832 36.801 48.260 1.00 14.14 N ATOM 467 CA GLU A 56 45.413 38.118 47.808 1.00 13.59 C ATOM 468 C GLU A 56 45.987 38.472 46.437 1.00 11.91 C ATOM 469 O GLU A 56 45.309 39.089 45.615 1.00 10.89 O ATOM 470 CB GLU A 56 45.811 39.169 48.840 1.00 16.77 C ATOM 471 CG GLU A 56 45.722 40.591 48.341 1.00 21.07 C ATOM 472 CD GLU A 56 45.597 41.583 49.473 1.00 22.93 C ATOM 473 OE1 GLU A 56 46.129 41.302 50.569 1.00 26.49 O ATOM 474 OE2 GLU A 56 44.977 42.643 49.261 1.00 22.41 O ATOM 0 H GLU A 56 46.256 36.793 49.008 1.00 14.14 H new ATOM 0 HA GLU A 56 44.448 38.103 47.714 1.00 13.59 H new ATOM 0 HB2 GLU A 56 45.242 39.074 49.619 1.00 16.77 H new ATOM 0 HB3 GLU A 56 46.720 38.995 49.130 1.00 16.77 H new ATOM 0 HG2 GLU A 56 46.511 40.798 47.816 1.00 21.07 H new ATOM 0 HG3 GLU A 56 44.958 40.678 47.750 1.00 21.07 H new ATOM 475 N ARG A 57 47.232 38.081 46.187 1.00 11.41 N ATOM 476 CA ARG A 57 47.860 38.373 44.900 1.00 12.38 C ATOM 477 C ARG A 57 47.076 37.713 43.769 1.00 11.59 C ATOM 478 O ARG A 57 46.777 38.346 42.751 1.00 11.76 O ATOM 479 CB ARG A 57 49.306 37.871 44.889 1.00 13.00 C ATOM 480 CG ARG A 57 50.094 38.272 43.644 1.00 15.34 C ATOM 481 CD ARG A 57 51.487 37.655 43.674 1.00 16.98 C ATOM 482 NE ARG A 57 52.410 38.296 42.740 1.00 19.30 N ATOM 483 CZ ARG A 57 52.338 38.191 41.419 1.00 22.49 C ATOM 484 NH1 ARG A 57 53.227 38.815 40.658 1.00 23.91 N ATOM 485 NH2 ARG A 57 51.385 37.456 40.859 1.00 25.75 N ATOM 0 H ARG A 57 47.727 37.650 46.742 1.00 11.41 H new ATOM 0 HA ARG A 57 47.859 39.334 44.768 1.00 12.38 H new ATOM 0 HB2 ARG A 57 49.763 38.213 45.673 1.00 13.00 H new ATOM 0 HB3 ARG A 57 49.303 36.904 44.961 1.00 13.00 H new ATOM 0 HG2 ARG A 57 49.622 37.981 42.848 1.00 15.34 H new ATOM 0 HG3 ARG A 57 50.163 39.238 43.595 1.00 15.34 H new ATOM 0 HD2 ARG A 57 51.846 37.720 44.573 1.00 16.98 H new ATOM 0 HD3 ARG A 57 51.423 36.711 43.462 1.00 16.98 H new ATOM 0 HE ARG A 57 53.044 38.775 43.069 1.00 19.30 H new ATOM 0 HH11 ARG A 57 53.848 39.286 41.021 1.00 23.91 H new ATOM 0 HH12 ARG A 57 53.182 38.748 39.802 1.00 23.91 H new ATOM 0 HH21 ARG A 57 50.812 37.046 41.352 1.00 25.75 H new ATOM 0 HH22 ARG A 57 51.340 37.390 40.003 1.00 25.75 H new ATOM 486 N TYR A 58 46.746 36.437 43.953 1.00 11.26 N ATOM 487 CA TYR A 58 45.986 35.687 42.959 1.00 10.95 C ATOM 488 C TYR A 58 44.605 36.308 42.772 1.00 8.63 C ATOM 489 O TYR A 58 44.131 36.455 41.649 1.00 7.25 O ATOM 490 CB TYR A 58 45.823 34.228 43.400 1.00 11.48 C ATOM 491 CG TYR A 58 44.866 33.431 42.537 1.00 12.48 C ATOM 492 CD1 TYR A 58 45.255 32.937 41.292 1.00 12.85 C ATOM 493 CD2 TYR A 58 43.554 33.206 42.953 1.00 13.35 C ATOM 494 CE1 TYR A 58 44.357 32.236 40.484 1.00 13.88 C ATOM 495 CE2 TYR A 58 42.653 32.513 42.156 1.00 14.42 C ATOM 496 CZ TYR A 58 43.061 32.031 40.922 1.00 13.26 C ATOM 497 OH TYR A 58 42.164 31.354 40.137 1.00 16.75 O ATOM 0 H TYR A 58 46.955 35.985 44.654 1.00 11.26 H new ATOM 0 HA TYR A 58 46.472 35.717 42.120 1.00 10.95 H new ATOM 0 HB2 TYR A 58 46.692 33.796 43.388 1.00 11.48 H new ATOM 0 HB3 TYR A 58 45.509 34.210 44.318 1.00 11.48 H new ATOM 0 HD1 TYR A 58 46.125 33.076 40.995 1.00 12.85 H new ATOM 0 HD2 TYR A 58 43.277 33.527 43.781 1.00 13.35 H new ATOM 0 HE1 TYR A 58 44.629 31.909 39.657 1.00 13.88 H new ATOM 0 HE2 TYR A 58 41.781 32.373 42.448 1.00 14.42 H new ATOM 0 HH TYR A 58 42.549 30.706 39.766 1.00 16.75 H new ATOM 498 N ALA A 59 43.967 36.661 43.883 1.00 8.32 N ATOM 499 CA ALA A 59 42.640 37.255 43.840 1.00 10.47 C ATOM 500 C ALA A 59 42.624 38.552 43.044 1.00 9.65 C ATOM 501 O ALA A 59 41.789 38.734 42.156 1.00 10.63 O ATOM 502 CB ALA A 59 42.133 37.503 45.253 1.00 10.78 C ATOM 0 H ALA A 59 44.289 36.564 44.675 1.00 8.32 H new ATOM 0 HA ALA A 59 42.052 36.628 43.390 1.00 10.47 H new ATOM 0 HB1 ALA A 59 41.248 37.899 45.215 1.00 10.78 H new ATOM 0 HB2 ALA A 59 42.090 36.662 45.734 1.00 10.78 H new ATOM 0 HB3 ALA A 59 42.737 38.107 45.713 1.00 10.78 H new ATOM 503 N ARG A 60 43.545 39.460 43.348 1.00 8.80 N ATOM 504 CA ARG A 60 43.576 40.730 42.630 1.00 9.41 C ATOM 505 C ARG A 60 43.896 40.542 41.149 1.00 9.68 C ATOM 506 O ARG A 60 43.371 41.264 40.298 1.00 9.88 O ATOM 507 CB ARG A 60 44.580 41.683 43.280 1.00 10.20 C ATOM 508 CG ARG A 60 44.101 42.240 44.620 1.00 9.03 C ATOM 509 CD ARG A 60 45.249 42.886 45.370 1.00 11.19 C ATOM 510 NE ARG A 60 44.856 43.458 46.657 1.00 12.27 N ATOM 511 CZ ARG A 60 44.318 44.664 46.813 1.00 14.44 C ATOM 512 NH1 ARG A 60 44.099 45.438 45.761 1.00 15.87 N ATOM 513 NH2 ARG A 60 44.013 45.105 48.026 1.00 13.45 N ATOM 0 H ARG A 60 44.149 39.365 43.953 1.00 8.80 H new ATOM 0 HA ARG A 60 42.689 41.119 42.686 1.00 9.41 H new ATOM 0 HB2 ARG A 60 45.420 41.217 43.412 1.00 10.20 H new ATOM 0 HB3 ARG A 60 44.756 42.420 42.674 1.00 10.20 H new ATOM 0 HG2 ARG A 60 43.397 42.891 44.472 1.00 9.03 H new ATOM 0 HG3 ARG A 60 43.719 41.526 45.155 1.00 9.03 H new ATOM 0 HD2 ARG A 60 45.943 42.225 45.517 1.00 11.19 H new ATOM 0 HD3 ARG A 60 45.634 43.584 44.818 1.00 11.19 H new ATOM 0 HE ARG A 60 44.981 42.981 47.362 1.00 12.27 H new ATOM 0 HH11 ARG A 60 44.305 45.161 44.973 1.00 15.87 H new ATOM 0 HH12 ARG A 60 43.751 46.217 45.866 1.00 15.87 H new ATOM 0 HH21 ARG A 60 44.163 44.611 48.714 1.00 13.45 H new ATOM 0 HH22 ARG A 60 43.665 45.885 48.125 1.00 13.45 H new ATOM 514 N LYS A 61 44.748 39.567 40.844 1.00 10.61 N ATOM 515 CA LYS A 61 45.115 39.283 39.459 1.00 11.30 C ATOM 516 C LYS A 61 43.864 38.848 38.700 1.00 10.32 C ATOM 517 O LYS A 61 43.597 39.307 37.585 1.00 10.40 O ATOM 518 CB LYS A 61 46.167 38.173 39.410 1.00 13.34 C ATOM 519 CG LYS A 61 46.640 37.821 38.009 1.00 20.19 C ATOM 520 CD LYS A 61 47.742 36.773 38.055 1.00 24.13 C ATOM 521 CE LYS A 61 48.207 36.412 36.655 1.00 27.83 C ATOM 522 NZ LYS A 61 49.288 35.387 36.661 1.00 28.94 N ATOM 0 H LYS A 61 45.125 39.057 41.425 1.00 10.61 H new ATOM 0 HA LYS A 61 45.489 40.079 39.050 1.00 11.30 H new ATOM 0 HB2 LYS A 61 46.933 38.444 39.940 1.00 13.34 H new ATOM 0 HB3 LYS A 61 45.801 37.377 39.826 1.00 13.34 H new ATOM 0 HG2 LYS A 61 45.894 37.488 37.486 1.00 20.19 H new ATOM 0 HG3 LYS A 61 46.966 38.619 37.564 1.00 20.19 H new ATOM 0 HD2 LYS A 61 48.491 37.109 38.572 1.00 24.13 H new ATOM 0 HD3 LYS A 61 47.419 35.978 38.507 1.00 24.13 H new ATOM 0 HE2 LYS A 61 47.453 36.080 36.142 1.00 27.83 H new ATOM 0 HE3 LYS A 61 48.525 37.211 36.207 1.00 27.83 H new ATOM 0 HZ1 LYS A 61 49.530 35.205 35.824 1.00 28.94 H new ATOM 0 HZ2 LYS A 61 49.990 35.698 37.111 1.00 28.94 H new ATOM 0 HZ3 LYS A 61 48.991 34.644 37.051 1.00 28.94 H new ATOM 523 N ILE A 62 43.102 37.954 39.316 1.00 9.81 N ATOM 524 CA ILE A 62 41.870 37.458 38.722 1.00 10.65 C ATOM 525 C ILE A 62 40.937 38.621 38.401 1.00 11.22 C ATOM 526 O ILE A 62 40.434 38.734 37.290 1.00 12.60 O ATOM 527 CB ILE A 62 41.153 36.481 39.686 1.00 11.62 C ATOM 528 CG1 ILE A 62 41.939 35.170 39.771 1.00 13.33 C ATOM 529 CG2 ILE A 62 39.719 36.232 39.228 1.00 12.36 C ATOM 530 CD1 ILE A 62 42.137 34.487 38.425 1.00 17.37 C ATOM 0 H ILE A 62 43.284 37.619 40.087 1.00 9.81 H new ATOM 0 HA ILE A 62 42.097 36.987 37.905 1.00 10.65 H new ATOM 0 HB ILE A 62 41.116 36.877 40.571 1.00 11.62 H new ATOM 0 HG12 ILE A 62 42.807 35.348 40.165 1.00 13.33 H new ATOM 0 HG13 ILE A 62 41.475 34.562 40.368 1.00 13.33 H new ATOM 0 HG21 ILE A 62 39.285 35.619 39.842 1.00 12.36 H new ATOM 0 HG22 ILE A 62 39.234 37.072 39.213 1.00 12.36 H new ATOM 0 HG23 ILE A 62 39.726 35.847 38.338 1.00 12.36 H new ATOM 0 HD11 ILE A 62 42.640 33.667 38.549 1.00 17.37 H new ATOM 0 HD12 ILE A 62 41.273 34.280 38.036 1.00 17.37 H new ATOM 0 HD13 ILE A 62 42.625 35.078 37.831 1.00 17.37 H new HETATM 531 N MSE A 63 40.726 39.498 39.373 1.00 12.57 N HETATM 532 CA MSE A 63 39.829 40.623 39.169 1.00 16.07 C HETATM 533 C MSE A 63 40.276 41.619 38.103 1.00 16.81 C HETATM 534 O MSE A 63 39.451 42.336 37.537 1.00 17.03 O HETATM 535 CB MSE A 63 39.587 41.333 40.496 1.00 18.86 C HETATM 536 CG MSE A 63 38.992 40.410 41.539 1.00 23.66 C HETATM 537 SE MSE A 63 38.525 41.318 43.171 1.00 32.45 SE HETATM 538 CE MSE A 63 40.227 41.179 44.079 1.00 30.75 C HETATM 0 H MSE A 63 41.089 39.460 40.152 1.00 12.57 H new HETATM 0 HA MSE A 63 39.004 40.245 38.826 1.00 16.07 H new HETATM 0 HB2 MSE A 63 40.425 41.693 40.826 1.00 18.86 H new HETATM 0 HB3 MSE A 63 38.991 42.085 40.354 1.00 18.86 H new HETATM 0 HG2 MSE A 63 38.200 39.985 41.173 1.00 23.66 H new HETATM 0 HG3 MSE A 63 39.626 39.704 41.738 1.00 23.66 H new HETATM 0 HE1 MSE A 63 40.165 41.602 44.950 1.00 30.75 H new HETATM 0 HE2 MSE A 63 40.459 40.244 44.190 1.00 30.75 H new HETATM 0 HE3 MSE A 63 40.912 41.621 43.553 1.00 30.75 H new ATOM 539 N LYS A 64 41.572 41.665 37.815 1.00 17.87 N ATOM 540 CA LYS A 64 42.067 42.591 36.802 1.00 19.51 C ATOM 541 C LYS A 64 41.970 41.995 35.398 1.00 19.41 C ATOM 542 O LYS A 64 41.785 42.720 34.420 1.00 19.90 O ATOM 543 CB LYS A 64 43.516 42.988 37.091 1.00 22.96 C ATOM 544 CG LYS A 64 44.527 41.888 36.848 1.00 27.68 C ATOM 545 CD LYS A 64 45.947 42.373 37.093 1.00 31.33 C ATOM 546 CE LYS A 64 46.952 41.253 36.885 1.00 31.68 C ATOM 547 NZ LYS A 64 48.319 41.652 37.305 1.00 34.76 N ATOM 0 H LYS A 64 42.174 41.177 38.188 1.00 17.87 H new ATOM 0 HA LYS A 64 41.505 43.381 36.839 1.00 19.51 H new ATOM 0 HB2 LYS A 64 43.747 43.752 36.539 1.00 22.96 H new ATOM 0 HB3 LYS A 64 43.583 43.275 38.015 1.00 22.96 H new ATOM 0 HG2 LYS A 64 44.335 41.136 37.430 1.00 27.68 H new ATOM 0 HG3 LYS A 64 44.446 41.568 35.936 1.00 27.68 H new ATOM 0 HD2 LYS A 64 46.149 43.108 36.493 1.00 31.33 H new ATOM 0 HD3 LYS A 64 46.023 42.716 37.997 1.00 31.33 H new ATOM 0 HE2 LYS A 64 46.674 40.472 37.389 1.00 31.68 H new ATOM 0 HE3 LYS A 64 46.963 40.998 35.949 1.00 31.68 H new ATOM 0 HZ1 LYS A 64 48.881 40.975 37.170 1.00 34.76 H new ATOM 0 HZ2 LYS A 64 48.583 42.356 36.828 1.00 34.76 H new ATOM 0 HZ3 LYS A 64 48.314 41.865 38.169 1.00 34.76 H new ATOM 548 N ILE A 65 42.095 40.677 35.295 1.00 18.18 N ATOM 549 CA ILE A 65 42.011 40.027 33.994 1.00 18.37 C ATOM 550 C ILE A 65 40.576 39.671 33.609 1.00 16.52 C ATOM 551 O ILE A 65 40.309 39.287 32.470 1.00 15.57 O ATOM 552 CB ILE A 65 42.873 38.744 33.945 1.00 19.79 C ATOM 553 CG1 ILE A 65 42.399 37.753 35.004 1.00 22.50 C ATOM 554 CG2 ILE A 65 44.339 39.096 34.157 1.00 21.20 C ATOM 555 CD1 ILE A 65 43.206 36.469 35.040 1.00 24.26 C ATOM 0 H ILE A 65 42.227 40.146 35.958 1.00 18.18 H new ATOM 0 HA ILE A 65 42.351 40.673 33.355 1.00 18.37 H new ATOM 0 HB ILE A 65 42.777 38.329 33.073 1.00 19.79 H new ATOM 0 HG12 ILE A 65 42.442 38.177 35.875 1.00 22.50 H new ATOM 0 HG13 ILE A 65 41.468 37.536 34.839 1.00 22.50 H new ATOM 0 HG21 ILE A 65 44.874 38.288 34.125 1.00 21.20 H new ATOM 0 HG22 ILE A 65 44.630 39.704 33.459 1.00 21.20 H new ATOM 0 HG23 ILE A 65 44.448 39.521 35.022 1.00 21.20 H new ATOM 0 HD11 ILE A 65 42.855 35.885 35.731 1.00 24.26 H new ATOM 0 HD12 ILE A 65 43.145 36.024 34.180 1.00 24.26 H new ATOM 0 HD13 ILE A 65 44.134 36.675 35.232 1.00 24.26 H new ATOM 556 N ALA A 66 39.648 39.809 34.551 1.00 13.03 N ATOM 557 CA ALA A 66 38.250 39.482 34.279 1.00 12.02 C ATOM 558 C ALA A 66 37.590 40.490 33.347 1.00 11.59 C ATOM 559 O ALA A 66 37.865 41.692 33.418 1.00 10.64 O ATOM 560 CB ALA A 66 37.465 39.407 35.589 1.00 11.08 C ATOM 0 H ALA A 66 39.804 40.088 35.349 1.00 13.03 H new ATOM 0 HA ALA A 66 38.240 38.620 33.835 1.00 12.02 H new ATOM 0 HB1 ALA A 66 36.539 39.190 35.399 1.00 11.08 H new ATOM 0 HB2 ALA A 66 37.848 38.720 36.157 1.00 11.08 H new ATOM 0 HB3 ALA A 66 37.509 40.263 36.043 1.00 11.08 H new ATOM 561 N PRO A 67 36.712 40.009 32.451 1.00 10.12 N ATOM 562 CA PRO A 67 36.014 40.888 31.513 1.00 12.78 C ATOM 563 C PRO A 67 34.961 41.717 32.252 1.00 13.53 C ATOM 564 O PRO A 67 34.644 41.440 33.410 1.00 13.70 O ATOM 565 CB PRO A 67 35.402 39.909 30.518 1.00 12.03 C ATOM 566 CG PRO A 67 35.090 38.732 31.381 1.00 11.31 C ATOM 567 CD PRO A 67 36.328 38.603 32.237 1.00 10.83 C ATOM 0 HA PRO A 67 36.583 41.540 31.075 1.00 12.78 H new ATOM 0 HB2 PRO A 67 34.606 40.271 30.097 1.00 12.03 H new ATOM 0 HB3 PRO A 67 36.021 39.682 29.806 1.00 12.03 H new ATOM 0 HG2 PRO A 67 34.296 38.880 31.918 1.00 11.31 H new ATOM 0 HG3 PRO A 67 34.932 37.932 30.855 1.00 11.31 H new ATOM 0 HD2 PRO A 67 36.144 38.147 33.073 1.00 10.83 H new ATOM 0 HD3 PRO A 67 37.027 38.101 31.789 1.00 10.83 H new ATOM 568 N ASP A 68 34.421 42.723 31.573 1.00 12.94 N ATOM 569 CA ASP A 68 33.428 43.618 32.157 1.00 16.56 C ATOM 570 C ASP A 68 32.103 42.944 32.526 1.00 14.38 C ATOM 571 O ASP A 68 31.358 43.461 33.357 1.00 14.03 O ATOM 572 CB ASP A 68 33.161 44.776 31.187 1.00 22.26 C ATOM 573 CG ASP A 68 32.447 45.939 31.840 1.00 28.09 C ATOM 574 OD1 ASP A 68 32.061 46.880 31.109 1.00 32.61 O ATOM 575 OD2 ASP A 68 32.277 45.925 33.079 1.00 33.21 O ATOM 0 H ASP A 68 34.621 42.907 30.757 1.00 12.94 H new ATOM 0 HA ASP A 68 33.806 43.933 32.993 1.00 16.56 H new ATOM 0 HB2 ASP A 68 34.004 45.085 30.820 1.00 22.26 H new ATOM 0 HB3 ASP A 68 32.629 44.453 30.443 1.00 22.26 H new ATOM 576 N ASN A 69 31.810 41.798 31.917 1.00 11.62 N ATOM 577 CA ASN A 69 30.556 41.097 32.198 1.00 11.15 C ATOM 578 C ASN A 69 30.629 40.174 33.413 1.00 10.64 C ATOM 579 O ASN A 69 29.728 39.366 33.655 1.00 11.27 O ATOM 580 CB ASN A 69 30.087 40.331 30.950 1.00 9.65 C ATOM 581 CG ASN A 69 31.105 39.318 30.452 1.00 10.78 C ATOM 582 OD1 ASN A 69 32.311 39.500 30.603 1.00 12.40 O ATOM 583 ND2 ASN A 69 30.616 38.249 29.829 1.00 10.53 N ATOM 0 H ASN A 69 32.318 41.410 31.342 1.00 11.62 H new ATOM 0 HA ASN A 69 29.902 41.777 32.425 1.00 11.15 H new ATOM 0 HB2 ASN A 69 29.256 39.873 31.152 1.00 9.65 H new ATOM 0 HB3 ASN A 69 29.897 40.965 30.241 1.00 9.65 H new ATOM 0 HD21 ASN A 69 31.150 37.653 29.514 1.00 10.53 H new ATOM 0 HD22 ASN A 69 29.766 38.154 29.741 1.00 10.53 H new ATOM 584 N VAL A 70 31.707 40.314 34.178 1.00 9.57 N ATOM 585 CA VAL A 70 31.909 39.525 35.386 1.00 9.23 C ATOM 586 C VAL A 70 31.898 40.458 36.596 1.00 9.41 C ATOM 587 O VAL A 70 32.617 41.461 36.630 1.00 8.05 O ATOM 588 CB VAL A 70 33.255 38.770 35.350 1.00 7.62 C ATOM 589 CG1 VAL A 70 33.465 38.028 36.660 1.00 10.20 C ATOM 590 CG2 VAL A 70 33.268 37.784 34.188 1.00 9.69 C ATOM 0 H VAL A 70 32.342 40.870 34.010 1.00 9.57 H new ATOM 0 HA VAL A 70 31.194 38.872 35.446 1.00 9.23 H new ATOM 0 HB VAL A 70 33.974 39.410 35.228 1.00 7.62 H new ATOM 0 HG11 VAL A 70 34.312 37.555 36.632 1.00 10.20 H new ATOM 0 HG12 VAL A 70 33.473 38.662 37.394 1.00 10.20 H new ATOM 0 HG13 VAL A 70 32.744 37.392 36.791 1.00 10.20 H new ATOM 0 HG21 VAL A 70 34.116 37.314 34.172 1.00 9.69 H new ATOM 0 HG22 VAL A 70 32.547 37.145 34.298 1.00 9.69 H new ATOM 0 HG23 VAL A 70 33.150 38.265 33.354 1.00 9.69 H new ATOM 591 N LYS A 71 31.069 40.126 37.579 1.00 8.51 N ATOM 592 CA LYS A 71 30.953 40.915 38.797 1.00 11.26 C ATOM 593 C LYS A 71 31.437 40.138 40.015 1.00 9.96 C ATOM 594 O LYS A 71 31.026 38.998 40.237 1.00 10.23 O ATOM 595 CB LYS A 71 29.497 41.335 39.032 1.00 13.59 C ATOM 596 CG LYS A 71 28.999 42.469 38.159 1.00 19.92 C ATOM 597 CD LYS A 71 27.623 42.924 38.629 1.00 22.13 C ATOM 598 CE LYS A 71 27.158 44.171 37.898 1.00 24.82 C ATOM 599 NZ LYS A 71 25.801 44.596 38.347 1.00 24.19 N ATOM 0 H LYS A 71 30.557 39.435 37.558 1.00 8.51 H new ATOM 0 HA LYS A 71 31.510 41.700 38.680 1.00 11.26 H new ATOM 0 HB2 LYS A 71 28.927 40.563 38.890 1.00 13.59 H new ATOM 0 HB3 LYS A 71 29.397 41.594 39.961 1.00 13.59 H new ATOM 0 HG2 LYS A 71 29.622 43.211 38.193 1.00 19.92 H new ATOM 0 HG3 LYS A 71 28.954 42.179 37.234 1.00 19.92 H new ATOM 0 HD2 LYS A 71 26.982 42.210 38.490 1.00 22.13 H new ATOM 0 HD3 LYS A 71 27.649 43.100 39.583 1.00 22.13 H new ATOM 0 HE2 LYS A 71 27.790 44.891 38.050 1.00 24.82 H new ATOM 0 HE3 LYS A 71 27.145 44.001 36.943 1.00 24.82 H new ATOM 0 HZ1 LYS A 71 25.556 45.327 37.902 1.00 24.19 H new ATOM 0 HZ2 LYS A 71 25.217 43.943 38.188 1.00 24.19 H new ATOM 0 HZ3 LYS A 71 25.818 44.772 39.219 1.00 24.19 H new ATOM 600 N PHE A 72 32.315 40.759 40.799 1.00 9.28 N ATOM 601 CA PHE A 72 32.842 40.144 42.012 1.00 9.50 C ATOM 602 C PHE A 72 32.069 40.705 43.198 1.00 10.05 C ATOM 603 O PHE A 72 32.286 41.846 43.610 1.00 12.99 O ATOM 604 CB PHE A 72 34.331 40.462 42.168 1.00 10.69 C ATOM 605 CG PHE A 72 35.198 39.762 41.171 1.00 10.31 C ATOM 606 CD1 PHE A 72 35.615 38.452 41.393 1.00 7.49 C ATOM 607 CD2 PHE A 72 35.566 40.394 39.989 1.00 10.96 C ATOM 608 CE1 PHE A 72 36.379 37.775 40.448 1.00 11.06 C ATOM 609 CE2 PHE A 72 36.329 39.728 39.036 1.00 12.81 C ATOM 610 CZ PHE A 72 36.739 38.414 39.266 1.00 10.88 C ATOM 0 H PHE A 72 32.621 41.547 40.642 1.00 9.28 H new ATOM 0 HA PHE A 72 32.742 39.180 41.965 1.00 9.50 H new ATOM 0 HB2 PHE A 72 34.461 41.420 42.083 1.00 10.69 H new ATOM 0 HB3 PHE A 72 34.615 40.216 43.062 1.00 10.69 H new ATOM 0 HD1 PHE A 72 35.379 38.024 42.184 1.00 7.49 H new ATOM 0 HD2 PHE A 72 35.299 41.271 39.834 1.00 10.96 H new ATOM 0 HE1 PHE A 72 36.648 36.899 40.606 1.00 11.06 H new ATOM 0 HE2 PHE A 72 36.566 40.158 38.246 1.00 12.81 H new ATOM 0 HZ PHE A 72 37.251 37.967 38.631 1.00 10.88 H new ATOM 611 N LEU A 73 31.167 39.900 43.745 1.00 8.16 N ATOM 612 CA LEU A 73 30.342 40.334 44.868 1.00 9.43 C ATOM 613 C LEU A 73 31.038 40.267 46.222 1.00 10.73 C ATOM 614 O LEU A 73 30.671 40.990 47.149 1.00 12.46 O ATOM 615 CB LEU A 73 29.054 39.504 44.919 1.00 8.59 C ATOM 616 CG LEU A 73 28.143 39.558 43.685 1.00 8.33 C ATOM 617 CD1 LEU A 73 26.918 38.669 43.902 1.00 7.41 C ATOM 618 CD2 LEU A 73 27.710 40.994 43.427 1.00 8.22 C ATOM 0 H LEU A 73 31.016 39.096 43.481 1.00 8.16 H new ATOM 0 HA LEU A 73 30.149 41.271 44.706 1.00 9.43 H new ATOM 0 HB2 LEU A 73 29.298 38.578 45.074 1.00 8.59 H new ATOM 0 HB3 LEU A 73 28.538 39.794 45.688 1.00 8.59 H new ATOM 0 HG LEU A 73 28.632 39.233 42.913 1.00 8.33 H new ATOM 0 HD11 LEU A 73 26.347 38.708 43.119 1.00 7.41 H new ATOM 0 HD12 LEU A 73 27.204 37.754 44.048 1.00 7.41 H new ATOM 0 HD13 LEU A 73 26.425 38.981 44.677 1.00 7.41 H new ATOM 0 HD21 LEU A 73 27.135 41.023 42.647 1.00 8.22 H new ATOM 0 HD22 LEU A 73 27.226 41.330 44.198 1.00 8.22 H new ATOM 0 HD23 LEU A 73 28.493 41.545 43.272 1.00 8.22 H new ATOM 619 N GLY A 74 32.042 39.407 46.338 1.00 10.30 N ATOM 620 CA GLY A 74 32.738 39.268 47.604 1.00 10.81 C ATOM 621 C GLY A 74 31.949 38.348 48.515 1.00 9.71 C ATOM 622 O GLY A 74 31.183 37.513 48.037 1.00 10.89 O ATOM 0 H GLY A 74 32.331 38.902 45.704 1.00 10.30 H new ATOM 0 HA2 GLY A 74 33.627 38.910 47.458 1.00 10.81 H new ATOM 0 HA3 GLY A 74 32.847 40.137 48.021 1.00 10.81 H new ATOM 623 N SER A 75 32.132 38.496 49.823 1.00 10.49 N ATOM 624 CA SER A 75 31.422 37.674 50.804 1.00 10.51 C ATOM 625 C SER A 75 30.014 38.225 51.042 1.00 10.10 C ATOM 626 O SER A 75 29.853 39.409 51.339 1.00 11.72 O ATOM 627 CB SER A 75 32.193 37.666 52.123 1.00 14.07 C ATOM 628 OG SER A 75 33.523 37.222 51.924 1.00 19.78 O ATOM 0 H SER A 75 32.669 39.073 50.168 1.00 10.49 H new ATOM 0 HA SER A 75 31.353 36.770 50.460 1.00 10.51 H new ATOM 0 HB2 SER A 75 32.199 38.558 52.505 1.00 14.07 H new ATOM 0 HB3 SER A 75 31.746 37.087 52.760 1.00 14.07 H new ATOM 0 HG SER A 75 33.932 37.225 52.657 1.00 19.78 H new ATOM 629 N VAL A 76 29.002 37.369 50.921 1.00 6.86 N ATOM 630 CA VAL A 76 27.616 37.800 51.109 1.00 6.05 C ATOM 631 C VAL A 76 26.929 37.092 52.274 1.00 7.93 C ATOM 632 O VAL A 76 27.421 36.086 52.781 1.00 7.95 O ATOM 633 CB VAL A 76 26.765 37.529 49.850 1.00 4.94 C ATOM 634 CG1 VAL A 76 27.429 38.151 48.624 1.00 5.79 C ATOM 635 CG2 VAL A 76 26.578 36.035 49.657 1.00 7.69 C ATOM 0 H VAL A 76 29.095 36.535 50.731 1.00 6.86 H new ATOM 0 HA VAL A 76 27.671 38.751 51.293 1.00 6.05 H new ATOM 0 HB VAL A 76 25.892 37.935 49.966 1.00 4.94 H new ATOM 0 HG11 VAL A 76 26.888 37.976 47.839 1.00 5.79 H new ATOM 0 HG12 VAL A 76 27.512 39.109 48.752 1.00 5.79 H new ATOM 0 HG13 VAL A 76 28.310 37.764 48.502 1.00 5.79 H new ATOM 0 HG21 VAL A 76 26.042 35.875 48.864 1.00 7.69 H new ATOM 0 HG22 VAL A 76 27.444 35.611 49.552 1.00 7.69 H new ATOM 0 HG23 VAL A 76 26.128 35.662 50.431 1.00 7.69 H new ATOM 636 N SER A 77 25.784 37.622 52.693 1.00 8.60 N ATOM 637 CA SER A 77 25.025 37.017 53.785 1.00 9.13 C ATOM 638 C SER A 77 24.194 35.871 53.220 1.00 9.14 C ATOM 639 O SER A 77 24.046 35.744 52.001 1.00 7.73 O ATOM 640 CB SER A 77 24.100 38.052 54.422 1.00 8.92 C ATOM 641 OG SER A 77 23.172 38.541 53.472 1.00 10.09 O ATOM 0 H SER A 77 25.429 38.331 52.359 1.00 8.60 H new ATOM 0 HA SER A 77 25.636 36.688 54.463 1.00 9.13 H new ATOM 0 HB2 SER A 77 23.626 37.654 55.169 1.00 8.92 H new ATOM 0 HB3 SER A 77 24.624 38.787 54.778 1.00 8.92 H new ATOM 0 HG SER A 77 23.536 39.136 53.005 1.00 10.09 H new ATOM 642 N GLU A 78 23.646 35.039 54.099 1.00 9.47 N ATOM 643 CA GLU A 78 22.831 33.922 53.639 1.00 10.36 C ATOM 644 C GLU A 78 21.601 34.437 52.906 1.00 9.86 C ATOM 645 O GLU A 78 21.174 33.842 51.920 1.00 7.64 O ATOM 646 CB GLU A 78 22.405 33.027 54.806 1.00 15.38 C ATOM 647 CG GLU A 78 21.633 31.790 54.362 1.00 20.59 C ATOM 648 CD GLU A 78 21.536 30.740 55.451 1.00 25.77 C ATOM 649 OE1 GLU A 78 20.928 29.676 55.207 1.00 28.98 O ATOM 650 OE2 GLU A 78 22.076 30.975 56.551 1.00 29.20 O ATOM 0 H GLU A 78 23.732 35.102 54.952 1.00 9.47 H new ATOM 0 HA GLU A 78 23.369 33.391 53.031 1.00 10.36 H new ATOM 0 HB2 GLU A 78 23.194 32.750 55.298 1.00 15.38 H new ATOM 0 HB3 GLU A 78 21.856 33.542 55.417 1.00 15.38 H new ATOM 0 HG2 GLU A 78 20.740 32.051 54.089 1.00 20.59 H new ATOM 0 HG3 GLU A 78 22.066 31.405 53.584 1.00 20.59 H new ATOM 651 N GLU A 79 21.034 35.546 53.380 1.00 10.51 N ATOM 652 CA GLU A 79 19.858 36.125 52.728 1.00 10.78 C ATOM 653 C GLU A 79 20.192 36.437 51.273 1.00 9.83 C ATOM 654 O GLU A 79 19.402 36.161 50.366 1.00 7.25 O ATOM 655 CB GLU A 79 19.419 37.426 53.412 1.00 13.82 C ATOM 656 CG GLU A 79 18.803 37.266 54.795 1.00 19.94 C ATOM 657 CD GLU A 79 19.831 37.227 55.908 1.00 23.16 C ATOM 658 OE1 GLU A 79 19.420 37.168 57.089 1.00 27.64 O ATOM 659 OE2 GLU A 79 21.047 37.256 55.611 1.00 23.41 O ATOM 0 H GLU A 79 21.311 35.976 54.072 1.00 10.51 H new ATOM 0 HA GLU A 79 19.136 35.480 52.790 1.00 10.78 H new ATOM 0 HB2 GLU A 79 20.190 38.011 53.484 1.00 13.82 H new ATOM 0 HB3 GLU A 79 18.777 37.873 52.839 1.00 13.82 H new ATOM 0 HG2 GLU A 79 18.189 38.000 54.956 1.00 19.94 H new ATOM 0 HG3 GLU A 79 18.281 36.449 54.817 1.00 19.94 H new ATOM 660 N GLU A 80 21.364 37.031 51.063 1.00 8.09 N ATOM 661 CA GLU A 80 21.819 37.387 49.725 1.00 8.42 C ATOM 662 C GLU A 80 22.038 36.145 48.876 1.00 7.07 C ATOM 663 O GLU A 80 21.620 36.090 47.716 1.00 6.85 O ATOM 664 CB GLU A 80 23.127 38.180 49.795 1.00 10.60 C ATOM 665 CG GLU A 80 22.981 39.585 50.340 1.00 10.88 C ATOM 666 CD GLU A 80 24.317 40.262 50.576 1.00 14.66 C ATOM 667 OE1 GLU A 80 24.971 40.661 49.585 1.00 14.12 O ATOM 668 OE2 GLU A 80 24.715 40.382 51.756 1.00 14.08 O ATOM 0 H GLU A 80 21.915 37.238 51.690 1.00 8.09 H new ATOM 0 HA GLU A 80 21.129 37.933 49.317 1.00 8.42 H new ATOM 0 HB2 GLU A 80 23.757 37.694 50.350 1.00 10.60 H new ATOM 0 HB3 GLU A 80 23.511 38.229 48.905 1.00 10.60 H new ATOM 0 HG2 GLU A 80 22.459 40.116 49.719 1.00 10.88 H new ATOM 0 HG3 GLU A 80 22.486 39.555 51.174 1.00 10.88 H new ATOM 669 N LEU A 81 22.704 35.154 49.454 1.00 5.87 N ATOM 670 CA LEU A 81 22.982 33.913 48.740 1.00 6.81 C ATOM 671 C LEU A 81 21.685 33.258 48.276 1.00 5.77 C ATOM 672 O LEU A 81 21.545 32.904 47.106 1.00 5.06 O ATOM 673 CB LEU A 81 23.762 32.954 49.641 1.00 6.42 C ATOM 674 CG LEU A 81 24.137 31.601 49.029 1.00 9.72 C ATOM 675 CD1 LEU A 81 25.103 31.796 47.868 1.00 10.40 C ATOM 676 CD2 LEU A 81 24.768 30.729 50.111 1.00 8.94 C ATOM 0 H LEU A 81 23.004 35.179 50.259 1.00 5.87 H new ATOM 0 HA LEU A 81 23.518 34.120 47.959 1.00 6.81 H new ATOM 0 HB2 LEU A 81 24.578 33.397 49.923 1.00 6.42 H new ATOM 0 HB3 LEU A 81 23.236 32.792 50.440 1.00 6.42 H new ATOM 0 HG LEU A 81 23.341 31.165 48.686 1.00 9.72 H new ATOM 0 HD11 LEU A 81 25.333 30.933 47.489 1.00 10.40 H new ATOM 0 HD12 LEU A 81 24.684 32.346 47.187 1.00 10.40 H new ATOM 0 HD13 LEU A 81 25.908 32.233 48.187 1.00 10.40 H new ATOM 0 HD21 LEU A 81 25.009 29.869 49.734 1.00 8.94 H new ATOM 0 HD22 LEU A 81 25.563 31.165 50.456 1.00 8.94 H new ATOM 0 HD23 LEU A 81 24.133 30.598 50.833 1.00 8.94 H new ATOM 677 N ILE A 82 20.742 33.100 49.197 1.00 5.29 N ATOM 678 CA ILE A 82 19.454 32.497 48.862 1.00 6.55 C ATOM 679 C ILE A 82 18.800 33.245 47.702 1.00 5.00 C ATOM 680 O ILE A 82 18.306 32.630 46.754 1.00 5.26 O ATOM 681 CB ILE A 82 18.505 32.510 50.081 1.00 6.37 C ATOM 682 CG1 ILE A 82 19.020 31.531 51.142 1.00 8.11 C ATOM 683 CG2 ILE A 82 17.084 32.156 49.651 1.00 7.57 C ATOM 684 CD1 ILE A 82 18.308 31.640 52.487 1.00 6.15 C ATOM 0 H ILE A 82 20.826 33.334 50.020 1.00 5.29 H new ATOM 0 HA ILE A 82 19.617 31.577 48.601 1.00 6.55 H new ATOM 0 HB ILE A 82 18.486 33.401 50.465 1.00 6.37 H new ATOM 0 HG12 ILE A 82 18.922 30.626 50.808 1.00 8.11 H new ATOM 0 HG13 ILE A 82 19.969 31.683 51.276 1.00 8.11 H new ATOM 0 HG21 ILE A 82 16.499 32.168 50.425 1.00 7.57 H new ATOM 0 HG22 ILE A 82 16.772 32.804 49.000 1.00 7.57 H new ATOM 0 HG23 ILE A 82 17.077 31.271 49.254 1.00 7.57 H new ATOM 0 HD11 ILE A 82 18.684 30.994 53.106 1.00 6.15 H new ATOM 0 HD12 ILE A 82 18.425 32.535 52.843 1.00 6.15 H new ATOM 0 HD13 ILE A 82 17.362 31.460 52.368 1.00 6.15 H new ATOM 685 N ASP A 83 18.811 34.573 47.771 1.00 5.51 N ATOM 686 CA ASP A 83 18.213 35.400 46.723 1.00 6.21 C ATOM 687 C ASP A 83 18.940 35.209 45.393 1.00 6.34 C ATOM 688 O ASP A 83 18.304 35.070 44.345 1.00 5.83 O ATOM 689 CB ASP A 83 18.242 36.877 47.149 1.00 8.53 C ATOM 690 CG ASP A 83 17.700 37.814 46.083 1.00 9.80 C ATOM 691 OD1 ASP A 83 16.605 37.542 45.531 1.00 8.29 O ATOM 692 OD2 ASP A 83 18.368 38.836 45.806 1.00 9.75 O ATOM 0 H ASP A 83 19.161 35.018 48.419 1.00 5.51 H new ATOM 0 HA ASP A 83 17.291 35.124 46.598 1.00 6.21 H new ATOM 0 HB2 ASP A 83 17.722 36.984 47.961 1.00 8.53 H new ATOM 0 HB3 ASP A 83 19.154 37.129 47.361 1.00 8.53 H new ATOM 693 N LEU A 84 20.271 35.195 45.432 1.00 5.49 N ATOM 694 CA LEU A 84 21.057 35.011 44.212 1.00 5.35 C ATOM 695 C LEU A 84 20.734 33.656 43.564 1.00 5.83 C ATOM 696 O LEU A 84 20.503 33.573 42.348 1.00 4.65 O ATOM 697 CB LEU A 84 22.556 35.145 44.529 1.00 5.32 C ATOM 698 CG LEU A 84 22.979 36.607 44.803 1.00 4.19 C ATOM 699 CD1 LEU A 84 24.306 36.667 45.542 1.00 4.99 C ATOM 700 CD2 LEU A 84 23.058 37.357 43.483 1.00 4.23 C ATOM 0 H LEU A 84 20.736 35.290 46.149 1.00 5.49 H new ATOM 0 HA LEU A 84 20.822 35.702 43.573 1.00 5.35 H new ATOM 0 HB2 LEU A 84 22.769 34.600 45.303 1.00 5.32 H new ATOM 0 HB3 LEU A 84 23.073 34.797 43.786 1.00 5.32 H new ATOM 0 HG LEU A 84 22.316 37.027 45.373 1.00 4.19 H new ATOM 0 HD11 LEU A 84 24.547 37.593 45.700 1.00 4.99 H new ATOM 0 HD12 LEU A 84 24.225 36.205 46.391 1.00 4.99 H new ATOM 0 HD13 LEU A 84 24.994 36.242 45.007 1.00 4.99 H new ATOM 0 HD21 LEU A 84 23.323 38.275 43.648 1.00 4.23 H new ATOM 0 HD22 LEU A 84 23.712 36.931 42.907 1.00 4.23 H new ATOM 0 HD23 LEU A 84 22.190 37.344 43.051 1.00 4.23 H new ATOM 701 N TYR A 85 20.712 32.596 44.369 1.00 5.84 N ATOM 702 CA TYR A 85 20.371 31.269 43.853 1.00 6.16 C ATOM 703 C TYR A 85 18.984 31.309 43.216 1.00 6.47 C ATOM 704 O TYR A 85 18.758 30.744 42.143 1.00 7.02 O ATOM 705 CB TYR A 85 20.312 30.238 44.977 1.00 7.34 C ATOM 706 CG TYR A 85 21.627 29.652 45.419 1.00 8.59 C ATOM 707 CD1 TYR A 85 22.523 29.124 44.495 1.00 8.88 C ATOM 708 CD2 TYR A 85 21.931 29.539 46.775 1.00 8.22 C ATOM 709 CE1 TYR A 85 23.688 28.484 44.911 1.00 9.10 C ATOM 710 CE2 TYR A 85 23.091 28.907 47.204 1.00 6.36 C ATOM 711 CZ TYR A 85 23.962 28.378 46.268 1.00 8.41 C ATOM 712 OH TYR A 85 25.095 27.718 46.687 1.00 7.60 O ATOM 0 H TYR A 85 20.890 32.621 45.210 1.00 5.84 H new ATOM 0 HA TYR A 85 21.055 31.023 43.210 1.00 6.16 H new ATOM 0 HB2 TYR A 85 19.889 30.651 45.746 1.00 7.34 H new ATOM 0 HB3 TYR A 85 19.736 29.511 44.693 1.00 7.34 H new ATOM 0 HD1 TYR A 85 22.341 29.199 43.586 1.00 8.88 H new ATOM 0 HD2 TYR A 85 21.346 29.894 47.405 1.00 8.22 H new ATOM 0 HE1 TYR A 85 24.278 28.130 44.285 1.00 9.10 H new ATOM 0 HE2 TYR A 85 23.281 28.840 48.112 1.00 6.36 H new ATOM 0 HH TYR A 85 24.983 27.440 47.472 1.00 7.60 H new ATOM 713 N SER A 86 18.054 31.967 43.900 1.00 5.96 N ATOM 714 CA SER A 86 16.669 32.055 43.436 1.00 6.35 C ATOM 715 C SER A 86 16.450 32.842 42.145 1.00 4.43 C ATOM 716 O SER A 86 15.423 32.671 41.498 1.00 6.70 O ATOM 717 CB SER A 86 15.793 32.667 44.531 1.00 5.54 C ATOM 718 OG SER A 86 15.866 34.091 44.495 1.00 8.32 O ATOM 0 H SER A 86 18.205 32.374 44.643 1.00 5.96 H new ATOM 0 HA SER A 86 16.422 31.139 43.235 1.00 6.35 H new ATOM 0 HB2 SER A 86 14.873 32.382 44.413 1.00 5.54 H new ATOM 0 HB3 SER A 86 16.081 32.345 45.400 1.00 5.54 H new ATOM 0 HG SER A 86 16.670 34.329 44.449 1.00 8.32 H new ATOM 719 N ARG A 87 17.401 33.695 41.769 1.00 4.88 N ATOM 720 CA ARG A 87 17.242 34.498 40.562 1.00 5.35 C ATOM 721 C ARG A 87 18.231 34.219 39.430 1.00 5.08 C ATOM 722 O ARG A 87 18.057 34.725 38.326 1.00 5.20 O ATOM 723 CB ARG A 87 17.294 35.998 40.907 1.00 4.61 C ATOM 724 CG ARG A 87 16.166 36.488 41.813 1.00 6.05 C ATOM 725 CD ARG A 87 16.217 38.008 42.014 1.00 9.36 C ATOM 726 NE ARG A 87 17.306 38.427 42.898 1.00 11.29 N ATOM 727 CZ ARG A 87 18.412 39.052 42.504 1.00 9.91 C ATOM 728 NH1 ARG A 87 18.597 39.347 41.223 1.00 12.46 N ATOM 729 NH2 ARG A 87 19.338 39.388 43.395 1.00 8.95 N ATOM 0 H ARG A 87 18.138 33.822 42.194 1.00 4.88 H new ATOM 0 HA ARG A 87 16.374 34.233 40.220 1.00 5.35 H new ATOM 0 HB2 ARG A 87 18.142 36.189 41.337 1.00 4.61 H new ATOM 0 HB3 ARG A 87 17.273 36.507 40.082 1.00 4.61 H new ATOM 0 HG2 ARG A 87 15.311 36.241 41.427 1.00 6.05 H new ATOM 0 HG3 ARG A 87 16.227 36.046 42.674 1.00 6.05 H new ATOM 0 HD2 ARG A 87 16.321 38.441 41.152 1.00 9.36 H new ATOM 0 HD3 ARG A 87 15.372 38.310 42.383 1.00 9.36 H new ATOM 0 HE ARG A 87 17.224 38.256 43.737 1.00 11.29 H new ATOM 0 HH11 ARG A 87 18.000 39.134 40.642 1.00 12.46 H new ATOM 0 HH12 ARG A 87 19.314 39.751 40.974 1.00 12.46 H new ATOM 0 HH21 ARG A 87 19.222 39.201 44.227 1.00 8.95 H new ATOM 0 HH22 ARG A 87 20.053 39.792 43.140 1.00 8.95 H new ATOM 730 N CYS A 88 19.256 33.414 39.683 1.00 5.01 N ATOM 731 CA CYS A 88 20.243 33.137 38.641 1.00 5.63 C ATOM 732 C CYS A 88 19.674 32.291 37.514 1.00 6.03 C ATOM 733 O CYS A 88 18.628 31.656 37.665 1.00 6.95 O ATOM 734 CB CYS A 88 21.470 32.428 39.227 1.00 4.54 C ATOM 735 SG CYS A 88 21.212 30.709 39.772 1.00 7.76 S ATOM 0 H CYS A 88 19.399 33.024 40.436 1.00 5.01 H new ATOM 0 HA CYS A 88 20.502 33.997 38.275 1.00 5.63 H new ATOM 0 HB2 CYS A 88 22.175 32.435 38.561 1.00 4.54 H new ATOM 0 HB3 CYS A 88 21.789 32.944 39.984 1.00 4.54 H new ATOM 0 HG CYS A 88 20.354 30.679 40.611 1.00 7.76 H new ATOM 736 N LYS A 89 20.361 32.292 36.375 1.00 5.68 N ATOM 737 CA LYS A 89 19.929 31.495 35.236 1.00 7.39 C ATOM 738 C LYS A 89 20.367 30.062 35.512 1.00 7.15 C ATOM 739 O LYS A 89 19.708 29.103 35.114 1.00 7.42 O ATOM 740 CB LYS A 89 20.580 31.999 33.943 1.00 8.39 C ATOM 741 CG LYS A 89 20.132 31.227 32.706 1.00 13.85 C ATOM 742 CD LYS A 89 20.851 31.680 31.441 1.00 17.05 C ATOM 743 CE LYS A 89 20.555 33.130 31.099 1.00 18.91 C ATOM 744 NZ LYS A 89 21.150 33.489 29.777 1.00 19.30 N ATOM 0 H LYS A 89 21.079 32.747 36.243 1.00 5.68 H new ATOM 0 HA LYS A 89 18.968 31.556 35.122 1.00 7.39 H new ATOM 0 HB2 LYS A 89 20.368 32.938 33.826 1.00 8.39 H new ATOM 0 HB3 LYS A 89 21.544 31.934 34.026 1.00 8.39 H new ATOM 0 HG2 LYS A 89 20.292 30.280 32.844 1.00 13.85 H new ATOM 0 HG3 LYS A 89 19.176 31.338 32.588 1.00 13.85 H new ATOM 0 HD2 LYS A 89 21.807 31.566 31.556 1.00 17.05 H new ATOM 0 HD3 LYS A 89 20.585 31.114 30.700 1.00 17.05 H new ATOM 0 HE2 LYS A 89 19.596 33.273 31.078 1.00 18.91 H new ATOM 0 HE3 LYS A 89 20.913 33.710 31.789 1.00 18.91 H new ATOM 0 HZ1 LYS A 89 20.806 34.260 29.496 1.00 19.30 H new ATOM 0 HZ2 LYS A 89 22.032 33.571 29.861 1.00 19.30 H new ATOM 0 HZ3 LYS A 89 20.967 32.850 29.185 1.00 19.30 H new ATOM 745 N GLY A 90 21.485 29.939 36.221 1.00 6.05 N ATOM 746 CA GLY A 90 22.023 28.640 36.560 1.00 4.93 C ATOM 747 C GLY A 90 23.321 28.816 37.318 1.00 4.34 C ATOM 748 O GLY A 90 23.831 29.932 37.427 1.00 4.88 O ATOM 0 H GLY A 90 21.945 30.604 36.514 1.00 6.05 H new ATOM 0 HA2 GLY A 90 21.386 28.146 37.100 1.00 4.93 H new ATOM 0 HA3 GLY A 90 22.175 28.121 35.754 1.00 4.93 H new ATOM 749 N LEU A 91 23.855 27.716 37.835 1.00 4.09 N ATOM 750 CA LEU A 91 25.096 27.734 38.598 1.00 4.26 C ATOM 751 C LEU A 91 26.241 27.123 37.798 1.00 5.56 C ATOM 752 O LEU A 91 26.061 26.123 37.097 1.00 6.82 O ATOM 753 CB LEU A 91 24.912 26.937 39.888 1.00 5.27 C ATOM 754 CG LEU A 91 26.115 26.827 40.831 1.00 4.55 C ATOM 755 CD1 LEU A 91 26.347 28.162 41.517 1.00 6.76 C ATOM 756 CD2 LEU A 91 25.841 25.744 41.852 1.00 4.96 C ATOM 0 H LEU A 91 23.506 26.934 37.753 1.00 4.09 H new ATOM 0 HA LEU A 91 25.315 28.657 38.799 1.00 4.26 H new ATOM 0 HB2 LEU A 91 24.179 27.335 40.383 1.00 5.27 H new ATOM 0 HB3 LEU A 91 24.637 26.038 39.648 1.00 5.27 H new ATOM 0 HG LEU A 91 26.913 26.596 40.330 1.00 4.55 H new ATOM 0 HD11 LEU A 91 27.109 28.091 42.114 1.00 6.76 H new ATOM 0 HD12 LEU A 91 26.522 28.843 40.849 1.00 6.76 H new ATOM 0 HD13 LEU A 91 25.559 28.405 42.027 1.00 6.76 H new ATOM 0 HD21 LEU A 91 26.598 25.667 42.454 1.00 4.96 H new ATOM 0 HD22 LEU A 91 25.046 25.971 42.360 1.00 4.96 H new ATOM 0 HD23 LEU A 91 25.703 24.898 41.398 1.00 4.96 H new ATOM 757 N LEU A 92 27.415 27.740 37.900 1.00 2.73 N ATOM 758 CA LEU A 92 28.615 27.250 37.231 1.00 4.28 C ATOM 759 C LEU A 92 29.613 26.842 38.321 1.00 3.96 C ATOM 760 O LEU A 92 29.926 27.638 39.202 1.00 4.80 O ATOM 761 CB LEU A 92 29.226 28.352 36.356 1.00 3.02 C ATOM 762 CG LEU A 92 30.602 28.032 35.767 1.00 8.24 C ATOM 763 CD1 LEU A 92 30.493 26.789 34.904 1.00 9.83 C ATOM 764 CD2 LEU A 92 31.127 29.216 34.950 1.00 9.13 C ATOM 0 H LEU A 92 27.538 28.456 38.360 1.00 2.73 H new ATOM 0 HA LEU A 92 28.399 26.497 36.659 1.00 4.28 H new ATOM 0 HB2 LEU A 92 28.615 28.542 35.627 1.00 3.02 H new ATOM 0 HB3 LEU A 92 29.297 29.162 36.885 1.00 3.02 H new ATOM 0 HG LEU A 92 31.232 27.869 36.486 1.00 8.24 H new ATOM 0 HD11 LEU A 92 31.362 26.580 34.527 1.00 9.83 H new ATOM 0 HD12 LEU A 92 30.188 26.044 35.446 1.00 9.83 H new ATOM 0 HD13 LEU A 92 29.859 26.947 34.187 1.00 9.83 H new ATOM 0 HD21 LEU A 92 31.998 28.996 34.585 1.00 9.13 H new ATOM 0 HD22 LEU A 92 30.512 29.407 34.225 1.00 9.13 H new ATOM 0 HD23 LEU A 92 31.204 29.995 35.522 1.00 9.13 H new ATOM 765 N CYS A 93 30.101 25.602 38.266 1.00 6.03 N ATOM 766 CA CYS A 93 31.065 25.100 39.250 1.00 6.67 C ATOM 767 C CYS A 93 32.312 24.594 38.541 1.00 7.50 C ATOM 768 O CYS A 93 32.217 23.775 37.627 1.00 8.07 O ATOM 769 CB CYS A 93 30.473 23.940 40.056 1.00 7.48 C ATOM 770 SG CYS A 93 28.878 24.265 40.798 1.00 9.67 S ATOM 0 H CYS A 93 29.885 25.030 37.661 1.00 6.03 H new ATOM 0 HA CYS A 93 31.284 25.832 39.848 1.00 6.67 H new ATOM 0 HB2 CYS A 93 30.392 23.169 39.474 1.00 7.48 H new ATOM 0 HB3 CYS A 93 31.098 23.701 40.758 1.00 7.48 H new ATOM 0 HG CYS A 93 28.801 23.691 41.849 1.00 9.67 H new ATOM 771 N THR A 94 33.477 25.059 38.983 1.00 6.18 N ATOM 772 CA THR A 94 34.741 24.662 38.374 1.00 7.32 C ATOM 773 C THR A 94 35.815 24.237 39.385 1.00 8.30 C ATOM 774 O THR A 94 36.924 23.870 38.997 1.00 8.27 O ATOM 775 CB THR A 94 35.312 25.822 37.537 1.00 6.83 C ATOM 776 OG1 THR A 94 35.487 26.967 38.378 1.00 6.71 O ATOM 777 CG2 THR A 94 34.359 26.189 36.406 1.00 6.95 C ATOM 0 H THR A 94 33.556 25.609 39.639 1.00 6.18 H new ATOM 0 HA THR A 94 34.531 23.890 37.825 1.00 7.32 H new ATOM 0 HB THR A 94 36.161 25.543 37.159 1.00 6.83 H new ATOM 0 HG1 THR A 94 36.183 26.873 38.839 1.00 6.71 H new ATOM 0 HG21 THR A 94 34.734 26.920 35.891 1.00 6.95 H new ATOM 0 HG22 THR A 94 34.230 25.420 35.829 1.00 6.95 H new ATOM 0 HG23 THR A 94 33.505 26.461 36.777 1.00 6.95 H new ATOM 778 N ALA A 95 35.483 24.275 40.672 1.00 6.75 N ATOM 779 CA ALA A 95 36.432 23.923 41.726 1.00 7.51 C ATOM 780 C ALA A 95 36.911 22.478 41.684 1.00 8.97 C ATOM 781 O ALA A 95 36.232 21.593 41.166 1.00 7.05 O ATOM 782 CB ALA A 95 35.826 24.209 43.089 1.00 5.83 C ATOM 0 H ALA A 95 34.705 24.504 40.959 1.00 6.75 H new ATOM 0 HA ALA A 95 37.213 24.476 41.568 1.00 7.51 H new ATOM 0 HB1 ALA A 95 36.462 23.973 43.782 1.00 5.83 H new ATOM 0 HB2 ALA A 95 35.611 25.152 43.156 1.00 5.83 H new ATOM 0 HB3 ALA A 95 35.017 23.685 43.200 1.00 5.83 H new ATOM 783 N LYS A 96 38.095 22.241 42.231 1.00 10.13 N ATOM 784 CA LYS A 96 38.623 20.886 42.257 1.00 12.42 C ATOM 785 C LYS A 96 38.772 20.382 43.680 1.00 12.29 C ATOM 786 O LYS A 96 39.130 19.226 43.898 1.00 12.59 O ATOM 787 CB LYS A 96 39.960 20.839 41.517 1.00 17.21 C ATOM 788 CG LYS A 96 40.962 21.846 42.025 1.00 19.93 C ATOM 789 CD LYS A 96 41.998 22.167 40.965 1.00 25.33 C ATOM 790 CE LYS A 96 42.813 20.949 40.587 1.00 25.38 C ATOM 791 NZ LYS A 96 43.744 21.295 39.486 1.00 30.24 N ATOM 0 H LYS A 96 38.601 22.839 42.587 1.00 10.13 H new ATOM 0 HA LYS A 96 37.994 20.300 41.807 1.00 12.42 H new ATOM 0 HB2 LYS A 96 40.336 19.949 41.599 1.00 17.21 H new ATOM 0 HB3 LYS A 96 39.805 20.995 40.572 1.00 17.21 H new ATOM 0 HG2 LYS A 96 40.503 22.659 42.289 1.00 19.93 H new ATOM 0 HG3 LYS A 96 41.402 21.498 42.817 1.00 19.93 H new ATOM 0 HD2 LYS A 96 41.556 22.517 40.176 1.00 25.33 H new ATOM 0 HD3 LYS A 96 42.589 22.863 41.291 1.00 25.33 H new ATOM 0 HE2 LYS A 96 43.311 20.631 41.356 1.00 25.38 H new ATOM 0 HE3 LYS A 96 42.225 20.228 40.311 1.00 25.38 H new ATOM 0 HZ1 LYS A 96 44.222 20.578 39.265 1.00 30.24 H new ATOM 0 HZ2 LYS A 96 43.279 21.570 38.779 1.00 30.24 H new ATOM 0 HZ3 LYS A 96 44.290 21.945 39.752 1.00 30.24 H new ATOM 792 N ASP A 97 38.474 21.248 44.647 1.00 13.64 N ATOM 793 CA ASP A 97 38.596 20.893 46.062 1.00 14.13 C ATOM 794 C ASP A 97 37.263 20.840 46.811 1.00 14.30 C ATOM 795 O ASP A 97 37.233 20.958 48.034 1.00 15.65 O ATOM 796 CB ASP A 97 39.534 21.880 46.765 1.00 15.45 C ATOM 797 CG ASP A 97 38.953 23.277 46.839 1.00 18.22 C ATOM 798 OD1 ASP A 97 38.331 23.709 45.848 1.00 16.99 O ATOM 799 OD2 ASP A 97 39.126 23.949 47.879 1.00 20.83 O ATOM 0 H ASP A 97 38.198 22.050 44.505 1.00 13.64 H new ATOM 0 HA ASP A 97 38.958 19.993 46.081 1.00 14.13 H new ATOM 0 HB2 ASP A 97 39.720 21.562 47.662 1.00 15.45 H new ATOM 0 HB3 ASP A 97 40.381 21.909 46.293 1.00 15.45 H new ATOM 800 N GLU A 98 36.164 20.669 46.079 1.00 13.78 N ATOM 801 CA GLU A 98 34.842 20.577 46.695 1.00 12.63 C ATOM 802 C GLU A 98 34.333 19.147 46.527 1.00 13.19 C ATOM 803 O GLU A 98 33.909 18.756 45.441 1.00 9.77 O ATOM 804 CB GLU A 98 33.889 21.589 46.048 1.00 15.25 C ATOM 805 CG GLU A 98 33.983 22.976 46.699 1.00 16.53 C ATOM 806 CD GLU A 98 33.305 24.088 45.908 1.00 16.69 C ATOM 807 OE1 GLU A 98 32.233 23.848 45.312 1.00 16.44 O ATOM 808 OE2 GLU A 98 33.840 25.220 45.907 1.00 16.19 O ATOM 0 H GLU A 98 36.163 20.604 45.221 1.00 13.78 H new ATOM 0 HA GLU A 98 34.892 20.789 47.640 1.00 12.63 H new ATOM 0 HB2 GLU A 98 34.093 21.663 45.103 1.00 15.25 H new ATOM 0 HB3 GLU A 98 32.978 21.263 46.117 1.00 15.25 H new ATOM 0 HG2 GLU A 98 33.586 22.934 47.583 1.00 16.53 H new ATOM 0 HG3 GLU A 98 34.919 23.203 46.819 1.00 16.53 H new ATOM 809 N ASP A 99 34.372 18.362 47.603 1.00 11.89 N ATOM 810 CA ASP A 99 33.945 16.968 47.497 1.00 14.18 C ATOM 811 C ASP A 99 32.502 16.669 47.886 1.00 12.33 C ATOM 812 O ASP A 99 32.050 15.547 47.692 1.00 10.89 O ATOM 813 CB ASP A 99 34.844 16.040 48.331 1.00 16.86 C ATOM 814 CG ASP A 99 36.282 16.517 48.429 1.00 18.19 C ATOM 815 OD1 ASP A 99 36.856 16.979 47.423 1.00 21.03 O ATOM 816 OD2 ASP A 99 36.848 16.397 49.537 1.00 21.83 O ATOM 0 H ASP A 99 34.635 18.608 48.384 1.00 11.89 H new ATOM 0 HA ASP A 99 34.022 16.799 46.545 1.00 14.18 H new ATOM 0 HB2 ASP A 99 34.475 15.962 49.225 1.00 16.86 H new ATOM 0 HB3 ASP A 99 34.831 15.152 47.940 1.00 16.86 H new ATOM 817 N PHE A 100 31.775 17.649 48.413 1.00 13.38 N ATOM 818 CA PHE A 100 30.409 17.389 48.849 1.00 12.82 C ATOM 819 C PHE A 100 29.304 17.874 47.915 1.00 13.59 C ATOM 820 O PHE A 100 28.203 17.319 47.908 1.00 15.55 O ATOM 821 CB PHE A 100 30.224 17.957 50.257 1.00 11.78 C ATOM 822 CG PHE A 100 31.311 17.539 51.210 1.00 14.66 C ATOM 823 CD1 PHE A 100 31.406 16.217 51.637 1.00 14.59 C ATOM 824 CD2 PHE A 100 32.289 18.443 51.614 1.00 13.61 C ATOM 825 CE1 PHE A 100 32.462 15.798 52.449 1.00 15.28 C ATOM 826 CE2 PHE A 100 33.350 18.036 52.425 1.00 14.17 C ATOM 827 CZ PHE A 100 33.435 16.709 52.841 1.00 15.85 C ATOM 0 H PHE A 100 32.048 18.457 48.525 1.00 13.38 H new ATOM 0 HA PHE A 100 30.306 16.424 48.839 1.00 12.82 H new ATOM 0 HB2 PHE A 100 30.199 18.925 50.208 1.00 11.78 H new ATOM 0 HB3 PHE A 100 29.366 17.668 50.606 1.00 11.78 H new ATOM 0 HD1 PHE A 100 30.757 15.604 51.378 1.00 14.59 H new ATOM 0 HD2 PHE A 100 32.235 19.330 51.340 1.00 13.61 H new ATOM 0 HE1 PHE A 100 32.514 14.912 52.727 1.00 15.28 H new ATOM 0 HE2 PHE A 100 33.998 18.649 52.687 1.00 14.17 H new ATOM 0 HZ PHE A 100 34.141 16.434 53.380 1.00 15.85 H new ATOM 828 N GLY A 101 29.593 18.898 47.124 1.00 12.72 N ATOM 829 CA GLY A 101 28.602 19.409 46.192 1.00 13.15 C ATOM 830 C GLY A 101 27.497 20.206 46.860 1.00 11.93 C ATOM 831 O GLY A 101 26.340 20.160 46.437 1.00 11.99 O ATOM 0 H GLY A 101 30.349 19.307 47.111 1.00 12.72 H new ATOM 0 HA2 GLY A 101 29.044 19.970 45.536 1.00 13.15 H new ATOM 0 HA3 GLY A 101 28.208 18.665 45.710 1.00 13.15 H new ATOM 832 N LEU A 102 27.851 20.943 47.905 1.00 10.10 N ATOM 833 CA LEU A 102 26.871 21.755 48.606 1.00 12.39 C ATOM 834 C LEU A 102 26.270 22.822 47.704 1.00 10.04 C ATOM 835 O LEU A 102 25.062 23.057 47.743 1.00 10.60 O ATOM 836 CB LEU A 102 27.499 22.427 49.831 1.00 15.70 C ATOM 837 CG LEU A 102 27.265 21.753 51.185 1.00 18.48 C ATOM 838 CD1 LEU A 102 25.778 21.764 51.500 1.00 21.75 C ATOM 839 CD2 LEU A 102 27.799 20.333 51.164 1.00 20.46 C ATOM 0 H LEU A 102 28.649 20.986 48.222 1.00 10.10 H new ATOM 0 HA LEU A 102 26.162 21.157 48.890 1.00 12.39 H new ATOM 0 HB2 LEU A 102 28.456 22.487 49.685 1.00 15.70 H new ATOM 0 HB3 LEU A 102 27.162 23.335 49.883 1.00 15.70 H new ATOM 0 HG LEU A 102 27.739 22.241 51.876 1.00 18.48 H new ATOM 0 HD11 LEU A 102 25.626 21.337 52.358 1.00 21.75 H new ATOM 0 HD12 LEU A 102 25.461 22.680 51.534 1.00 21.75 H new ATOM 0 HD13 LEU A 102 25.297 21.281 50.809 1.00 21.75 H new ATOM 0 HD21 LEU A 102 27.645 19.916 52.026 1.00 20.46 H new ATOM 0 HD22 LEU A 102 27.343 19.826 50.474 1.00 20.46 H new ATOM 0 HD23 LEU A 102 28.751 20.348 50.978 1.00 20.46 H new ATOM 840 N THR A 103 27.096 23.467 46.885 1.00 9.53 N ATOM 841 CA THR A 103 26.565 24.521 46.024 1.00 8.37 C ATOM 842 C THR A 103 25.565 24.013 44.987 1.00 8.19 C ATOM 843 O THR A 103 24.536 24.648 44.761 1.00 7.96 O ATOM 844 CB THR A 103 27.696 25.369 45.357 1.00 10.26 C ATOM 845 OG1 THR A 103 28.666 24.523 44.729 1.00 13.84 O ATOM 846 CG2 THR A 103 28.379 26.224 46.410 1.00 12.99 C ATOM 0 H THR A 103 27.940 23.317 46.812 1.00 9.53 H new ATOM 0 HA THR A 103 26.069 25.108 46.616 1.00 8.37 H new ATOM 0 HB THR A 103 27.295 25.936 44.680 1.00 10.26 H new ATOM 0 HG1 THR A 103 29.324 24.984 44.484 1.00 13.84 H new ATOM 0 HG21 THR A 103 29.081 26.750 45.995 1.00 12.99 H new ATOM 0 HG22 THR A 103 27.729 26.817 46.817 1.00 12.99 H new ATOM 0 HG23 THR A 103 28.765 25.652 47.092 1.00 12.99 H new ATOM 847 N PRO A 104 25.844 22.864 44.344 1.00 6.92 N ATOM 848 CA PRO A 104 24.889 22.352 43.353 1.00 6.93 C ATOM 849 C PRO A 104 23.548 22.022 44.017 1.00 6.47 C ATOM 850 O PRO A 104 22.484 22.273 43.450 1.00 6.25 O ATOM 851 CB PRO A 104 25.574 21.093 42.827 1.00 6.62 C ATOM 852 CG PRO A 104 27.025 21.442 42.928 1.00 8.53 C ATOM 853 CD PRO A 104 27.122 22.132 44.269 1.00 6.27 C ATOM 0 HA PRO A 104 24.683 22.988 42.650 1.00 6.93 H new ATOM 0 HB2 PRO A 104 25.353 20.313 43.360 1.00 6.62 H new ATOM 0 HB3 PRO A 104 25.313 20.896 41.914 1.00 6.62 H new ATOM 0 HG2 PRO A 104 27.587 20.652 42.890 1.00 8.53 H new ATOM 0 HG3 PRO A 104 27.305 22.024 42.204 1.00 8.53 H new ATOM 0 HD2 PRO A 104 27.218 21.497 44.996 1.00 6.27 H new ATOM 0 HD3 PRO A 104 27.884 22.730 44.313 1.00 6.27 H new ATOM 854 N ILE A 105 23.610 21.455 45.221 1.00 5.63 N ATOM 855 CA ILE A 105 22.400 21.090 45.955 1.00 6.62 C ATOM 856 C ILE A 105 21.542 22.320 46.239 1.00 6.95 C ATOM 857 O ILE A 105 20.327 22.309 46.019 1.00 5.63 O ATOM 858 CB ILE A 105 22.746 20.380 47.292 1.00 7.98 C ATOM 859 CG1 ILE A 105 23.440 19.043 46.993 1.00 10.95 C ATOM 860 CG2 ILE A 105 21.472 20.126 48.104 1.00 8.40 C ATOM 861 CD1 ILE A 105 23.940 18.313 48.217 1.00 12.31 C ATOM 0 H ILE A 105 24.344 21.273 45.630 1.00 5.63 H new ATOM 0 HA ILE A 105 21.899 20.476 45.396 1.00 6.62 H new ATOM 0 HB ILE A 105 23.338 20.949 47.808 1.00 7.98 H new ATOM 0 HG12 ILE A 105 22.820 18.468 46.518 1.00 10.95 H new ATOM 0 HG13 ILE A 105 24.189 19.206 46.398 1.00 10.95 H new ATOM 0 HG21 ILE A 105 21.701 19.683 48.936 1.00 8.40 H new ATOM 0 HG22 ILE A 105 21.038 20.971 48.298 1.00 8.40 H new ATOM 0 HG23 ILE A 105 20.869 19.563 47.593 1.00 8.40 H new ATOM 0 HD11 ILE A 105 24.364 17.483 47.948 1.00 12.31 H new ATOM 0 HD12 ILE A 105 24.584 18.868 48.684 1.00 12.31 H new ATOM 0 HD13 ILE A 105 23.194 18.119 48.806 1.00 12.31 H new ATOM 862 N GLU A 106 22.180 23.385 46.713 1.00 5.76 N ATOM 863 CA GLU A 106 21.464 24.621 47.026 1.00 6.99 C ATOM 864 C GLU A 106 20.873 25.236 45.757 1.00 5.87 C ATOM 865 O GLU A 106 19.741 25.727 45.765 1.00 5.43 O ATOM 866 CB GLU A 106 22.409 25.605 47.727 1.00 8.22 C ATOM 867 CG GLU A 106 23.080 24.984 48.960 1.00 11.15 C ATOM 868 CD GLU A 106 23.817 25.982 49.841 1.00 14.65 C ATOM 869 OE1 GLU A 106 24.490 26.887 49.305 1.00 16.47 O ATOM 870 OE2 GLU A 106 23.739 25.838 51.081 1.00 16.27 O ATOM 0 H GLU A 106 23.027 23.414 46.861 1.00 5.76 H new ATOM 0 HA GLU A 106 20.729 24.418 47.626 1.00 6.99 H new ATOM 0 HB2 GLU A 106 23.091 25.897 47.102 1.00 8.22 H new ATOM 0 HB3 GLU A 106 21.912 26.394 47.994 1.00 8.22 H new ATOM 0 HG2 GLU A 106 22.404 24.536 49.492 1.00 11.15 H new ATOM 0 HG3 GLU A 106 23.706 24.304 48.666 1.00 11.15 H new ATOM 871 N ALA A 107 21.629 25.196 44.663 1.00 4.76 N ATOM 872 CA ALA A 107 21.136 25.738 43.406 1.00 5.38 C ATOM 873 C ALA A 107 19.951 24.919 42.890 1.00 5.49 C ATOM 874 O ALA A 107 18.969 25.478 42.410 1.00 4.56 O ATOM 875 CB ALA A 107 22.251 25.753 42.361 1.00 3.58 C ATOM 0 H ALA A 107 22.421 24.863 44.629 1.00 4.76 H new ATOM 0 HA ALA A 107 20.838 26.647 43.565 1.00 5.38 H new ATOM 0 HB1 ALA A 107 21.910 26.116 41.529 1.00 3.58 H new ATOM 0 HB2 ALA A 107 22.984 26.304 42.677 1.00 3.58 H new ATOM 0 HB3 ALA A 107 22.568 24.848 42.213 1.00 3.58 H new HETATM 876 N MSE A 108 20.041 23.595 42.971 1.00 4.12 N HETATM 877 CA MSE A 108 18.942 22.772 42.482 1.00 4.41 C HETATM 878 C MSE A 108 17.708 22.936 43.377 1.00 4.48 C HETATM 879 O MSE A 108 16.571 22.897 42.894 1.00 4.44 O HETATM 880 CB MSE A 108 19.372 21.307 42.389 1.00 5.11 C HETATM 881 CG MSE A 108 20.496 21.078 41.382 1.00 8.04 C HETATM 882 SE MSE A 108 20.901 19.198 41.112 1.00 17.28 SE HETATM 883 CE MSE A 108 22.008 18.899 42.671 1.00 11.22 C HETATM 0 H MSE A 108 20.710 23.164 43.296 1.00 4.12 H new HETATM 0 HA MSE A 108 18.703 23.069 41.590 1.00 4.41 H new HETATM 0 HB2 MSE A 108 19.662 21.004 43.264 1.00 5.11 H new HETATM 0 HB3 MSE A 108 18.607 20.766 42.140 1.00 5.11 H new HETATM 0 HG2 MSE A 108 20.249 21.476 40.533 1.00 8.04 H new HETATM 0 HG3 MSE A 108 21.295 21.535 41.687 1.00 8.04 H new HETATM 0 HE1 MSE A 108 22.303 17.975 42.686 1.00 11.22 H new HETATM 0 HE2 MSE A 108 22.781 19.484 42.637 1.00 11.22 H new HETATM 0 HE3 MSE A 108 21.496 19.087 43.473 1.00 11.22 H new ATOM 884 N ALA A 109 17.931 23.142 44.673 1.00 3.54 N ATOM 885 CA ALA A 109 16.833 23.353 45.610 1.00 4.80 C ATOM 886 C ALA A 109 16.118 24.639 45.198 1.00 7.52 C ATOM 887 O ALA A 109 14.964 24.873 45.568 1.00 7.32 O ATOM 888 CB ALA A 109 17.371 23.483 47.033 1.00 6.79 C ATOM 0 H ALA A 109 18.713 23.163 45.030 1.00 3.54 H new ATOM 0 HA ALA A 109 16.221 22.601 45.591 1.00 4.80 H new ATOM 0 HB1 ALA A 109 16.633 23.623 47.647 1.00 6.79 H new ATOM 0 HB2 ALA A 109 17.844 22.671 47.276 1.00 6.79 H new ATOM 0 HB3 ALA A 109 17.979 24.237 47.082 1.00 6.79 H new ATOM 889 N SER A 110 16.814 25.472 44.428 1.00 5.96 N ATOM 890 CA SER A 110 16.240 26.726 43.950 1.00 5.97 C ATOM 891 C SER A 110 15.636 26.559 42.555 1.00 6.13 C ATOM 892 O SER A 110 15.191 27.535 41.950 1.00 5.55 O ATOM 893 CB SER A 110 17.308 27.824 43.934 1.00 5.92 C ATOM 894 OG SER A 110 17.827 28.013 45.235 1.00 5.76 O ATOM 0 H SER A 110 17.622 25.329 44.171 1.00 5.96 H new ATOM 0 HA SER A 110 15.529 26.983 44.558 1.00 5.97 H new ATOM 0 HB2 SER A 110 18.023 27.582 43.325 1.00 5.92 H new ATOM 0 HB3 SER A 110 16.925 28.653 43.607 1.00 5.92 H new ATOM 0 HG SER A 110 18.374 27.400 45.411 1.00 5.76 H new ATOM 895 N GLY A 111 15.621 25.317 42.067 1.00 4.68 N ATOM 896 CA GLY A 111 15.068 25.010 40.757 1.00 5.29 C ATOM 897 C GLY A 111 16.002 25.333 39.609 1.00 7.32 C ATOM 898 O GLY A 111 15.585 25.389 38.450 1.00 8.19 O ATOM 0 H GLY A 111 15.931 24.634 42.488 1.00 4.68 H new ATOM 0 HA2 GLY A 111 14.842 24.067 40.723 1.00 5.29 H new ATOM 0 HA3 GLY A 111 14.242 25.505 40.640 1.00 5.29 H new ATOM 899 N LYS A 112 17.280 25.519 39.916 1.00 6.56 N ATOM 900 CA LYS A 112 18.236 25.901 38.882 1.00 5.73 C ATOM 901 C LYS A 112 19.157 24.811 38.348 1.00 6.48 C ATOM 902 O LYS A 112 19.620 23.941 39.092 1.00 4.97 O ATOM 903 CB LYS A 112 19.074 27.082 39.389 1.00 6.13 C ATOM 904 CG LYS A 112 18.237 28.237 39.959 1.00 7.09 C ATOM 905 CD LYS A 112 17.194 28.742 38.957 1.00 7.27 C ATOM 906 CE LYS A 112 16.345 29.871 39.550 1.00 9.11 C ATOM 907 NZ LYS A 112 17.130 31.127 39.792 1.00 6.47 N ATOM 0 H LYS A 112 17.612 25.431 40.705 1.00 6.56 H new ATOM 0 HA LYS A 112 17.686 26.131 38.117 1.00 5.73 H new ATOM 0 HB2 LYS A 112 19.682 26.765 40.075 1.00 6.13 H new ATOM 0 HB3 LYS A 112 19.619 27.418 38.660 1.00 6.13 H new ATOM 0 HG2 LYS A 112 17.790 27.943 40.768 1.00 7.09 H new ATOM 0 HG3 LYS A 112 18.824 28.968 40.209 1.00 7.09 H new ATOM 0 HD2 LYS A 112 17.640 29.058 38.156 1.00 7.27 H new ATOM 0 HD3 LYS A 112 16.618 28.008 38.691 1.00 7.27 H new ATOM 0 HE2 LYS A 112 15.609 30.066 38.949 1.00 9.11 H new ATOM 0 HE3 LYS A 112 15.956 29.572 40.387 1.00 9.11 H new ATOM 0 HZ1 LYS A 112 16.586 31.830 39.752 1.00 6.47 H new ATOM 0 HZ2 LYS A 112 17.508 31.091 40.597 1.00 6.47 H new ATOM 0 HZ3 LYS A 112 17.762 31.206 39.171 1.00 6.47 H new ATOM 908 N PRO A 113 19.419 24.840 37.029 1.00 6.87 N ATOM 909 CA PRO A 113 20.297 23.848 36.407 1.00 6.34 C ATOM 910 C PRO A 113 21.740 24.147 36.807 1.00 5.89 C ATOM 911 O PRO A 113 22.083 25.292 37.115 1.00 5.62 O ATOM 912 CB PRO A 113 20.040 24.045 34.915 1.00 6.45 C ATOM 913 CG PRO A 113 19.734 25.510 34.823 1.00 6.47 C ATOM 914 CD PRO A 113 18.854 25.757 36.019 1.00 6.32 C ATOM 0 HA PRO A 113 20.135 22.929 36.673 1.00 6.34 H new ATOM 0 HB2 PRO A 113 20.813 23.804 34.381 1.00 6.45 H new ATOM 0 HB3 PRO A 113 19.300 23.502 34.602 1.00 6.45 H new ATOM 0 HG2 PRO A 113 20.541 26.047 34.856 1.00 6.47 H new ATOM 0 HG3 PRO A 113 19.281 25.729 33.994 1.00 6.47 H new ATOM 0 HD2 PRO A 113 18.892 26.682 36.310 1.00 6.32 H new ATOM 0 HD3 PRO A 113 17.924 25.557 35.830 1.00 6.32 H new ATOM 915 N VAL A 114 22.576 23.118 36.820 1.00 4.92 N ATOM 916 CA VAL A 114 23.967 23.290 37.208 1.00 4.40 C ATOM 917 C VAL A 114 24.935 22.782 36.162 1.00 4.22 C ATOM 918 O VAL A 114 24.801 21.661 35.682 1.00 4.14 O ATOM 919 CB VAL A 114 24.277 22.535 38.518 1.00 3.77 C ATOM 920 CG1 VAL A 114 25.737 22.739 38.895 1.00 6.24 C ATOM 921 CG2 VAL A 114 23.358 23.009 39.633 1.00 5.04 C ATOM 0 H VAL A 114 22.358 22.314 36.608 1.00 4.92 H new ATOM 0 HA VAL A 114 24.084 24.246 37.319 1.00 4.40 H new ATOM 0 HB VAL A 114 24.121 21.587 38.384 1.00 3.77 H new ATOM 0 HG11 VAL A 114 25.928 22.263 39.718 1.00 6.24 H new ATOM 0 HG12 VAL A 114 26.305 22.399 38.186 1.00 6.24 H new ATOM 0 HG13 VAL A 114 25.910 23.685 39.021 1.00 6.24 H new ATOM 0 HG21 VAL A 114 23.564 22.527 40.449 1.00 5.04 H new ATOM 0 HG22 VAL A 114 23.488 23.959 39.778 1.00 5.04 H new ATOM 0 HG23 VAL A 114 22.435 22.844 39.384 1.00 5.04 H new ATOM 922 N ILE A 115 25.904 23.614 35.796 1.00 3.42 N ATOM 923 CA ILE A 115 26.922 23.200 34.843 1.00 4.09 C ATOM 924 C ILE A 115 28.182 23.097 35.672 1.00 4.03 C ATOM 925 O ILE A 115 28.628 24.083 36.263 1.00 4.23 O ATOM 926 CB ILE A 115 27.128 24.226 33.721 1.00 5.93 C ATOM 927 CG1 ILE A 115 25.879 24.266 32.838 1.00 7.59 C ATOM 928 CG2 ILE A 115 28.350 23.849 32.889 1.00 5.80 C ATOM 929 CD1 ILE A 115 25.882 25.363 31.822 1.00 12.07 C ATOM 0 H ILE A 115 25.989 24.419 36.087 1.00 3.42 H new ATOM 0 HA ILE A 115 26.672 22.373 34.402 1.00 4.09 H new ATOM 0 HB ILE A 115 27.276 25.104 34.107 1.00 5.93 H new ATOM 0 HG12 ILE A 115 25.791 23.415 32.380 1.00 7.59 H new ATOM 0 HG13 ILE A 115 25.098 24.365 33.404 1.00 7.59 H new ATOM 0 HG21 ILE A 115 28.474 24.501 32.182 1.00 5.80 H new ATOM 0 HG22 ILE A 115 29.136 23.834 33.457 1.00 5.80 H new ATOM 0 HG23 ILE A 115 28.217 22.971 32.498 1.00 5.80 H new ATOM 0 HD11 ILE A 115 25.064 25.325 31.303 1.00 12.07 H new ATOM 0 HD12 ILE A 115 25.940 26.221 32.272 1.00 12.07 H new ATOM 0 HD13 ILE A 115 26.644 25.256 31.232 1.00 12.07 H new ATOM 930 N ALA A 116 28.756 21.903 35.735 1.00 4.09 N ATOM 931 CA ALA A 116 29.938 21.730 36.558 1.00 4.34 C ATOM 932 C ALA A 116 30.942 20.745 36.007 1.00 5.82 C ATOM 933 O ALA A 116 30.606 19.860 35.219 1.00 6.20 O ATOM 934 CB ALA A 116 29.515 21.288 37.956 1.00 4.05 C ATOM 0 H ALA A 116 28.485 21.200 35.321 1.00 4.09 H new ATOM 0 HA ALA A 116 30.385 22.591 36.575 1.00 4.34 H new ATOM 0 HB1 ALA A 116 30.302 21.171 38.511 1.00 4.05 H new ATOM 0 HB2 ALA A 116 28.941 21.964 38.349 1.00 4.05 H new ATOM 0 HB3 ALA A 116 29.033 20.448 37.898 1.00 4.05 H new ATOM 935 N VAL A 117 32.184 20.916 36.437 1.00 5.06 N ATOM 936 CA VAL A 117 33.249 20.019 36.034 1.00 7.78 C ATOM 937 C VAL A 117 32.913 18.658 36.641 1.00 7.47 C ATOM 938 O VAL A 117 32.363 18.574 37.741 1.00 6.92 O ATOM 939 CB VAL A 117 34.613 20.529 36.546 1.00 6.48 C ATOM 940 CG1 VAL A 117 34.973 21.826 35.836 1.00 9.58 C ATOM 941 CG2 VAL A 117 34.550 20.760 38.051 1.00 10.98 C ATOM 0 H VAL A 117 32.429 21.549 36.965 1.00 5.06 H new ATOM 0 HA VAL A 117 33.317 19.963 35.068 1.00 7.78 H new ATOM 0 HB VAL A 117 35.293 19.863 36.359 1.00 6.48 H new ATOM 0 HG11 VAL A 117 35.830 22.145 36.159 1.00 9.58 H new ATOM 0 HG12 VAL A 117 35.026 21.668 34.880 1.00 9.58 H new ATOM 0 HG13 VAL A 117 34.292 22.493 36.015 1.00 9.58 H new ATOM 0 HG21 VAL A 117 35.410 21.080 38.366 1.00 10.98 H new ATOM 0 HG22 VAL A 117 33.867 21.420 38.249 1.00 10.98 H new ATOM 0 HG23 VAL A 117 34.333 19.927 38.498 1.00 10.98 H new ATOM 942 N ASN A 118 33.229 17.601 35.903 1.00 9.15 N ATOM 943 CA ASN A 118 32.948 16.225 36.309 1.00 9.81 C ATOM 944 C ASN A 118 33.940 15.760 37.373 1.00 11.34 C ATOM 945 O ASN A 118 34.751 14.866 37.123 1.00 9.83 O ATOM 946 CB ASN A 118 33.039 15.321 35.070 1.00 12.26 C ATOM 947 CG ASN A 118 32.479 13.933 35.305 1.00 13.33 C ATOM 948 OD1 ASN A 118 32.807 12.990 34.581 1.00 17.20 O ATOM 949 ND2 ASN A 118 31.619 13.802 36.305 1.00 10.81 N ATOM 0 H ASN A 118 33.619 17.662 35.139 1.00 9.15 H new ATOM 0 HA ASN A 118 32.058 16.177 36.692 1.00 9.81 H new ATOM 0 HB2 ASN A 118 32.560 15.737 34.337 1.00 12.26 H new ATOM 0 HB3 ASN A 118 33.967 15.248 34.797 1.00 12.26 H new ATOM 0 HD21 ASN A 118 31.265 13.036 36.470 1.00 10.81 H new ATOM 0 HD22 ASN A 118 31.415 14.483 36.788 1.00 10.81 H new ATOM 950 N GLU A 119 33.864 16.370 38.557 1.00 11.34 N ATOM 951 CA GLU A 119 34.761 16.051 39.665 1.00 11.90 C ATOM 952 C GLU A 119 34.109 16.238 41.031 1.00 10.85 C ATOM 953 O GLU A 119 33.116 16.947 41.166 1.00 9.30 O ATOM 954 CB GLU A 119 36.000 16.947 39.614 1.00 13.88 C ATOM 955 CG GLU A 119 36.817 16.831 38.345 1.00 18.20 C ATOM 956 CD GLU A 119 37.907 17.882 38.264 1.00 20.18 C ATOM 957 OE1 GLU A 119 38.702 17.993 39.221 1.00 24.03 O ATOM 958 OE2 GLU A 119 37.974 18.593 37.241 1.00 21.30 O ATOM 0 H GLU A 119 33.288 16.982 38.739 1.00 11.34 H new ATOM 0 HA GLU A 119 34.995 15.115 39.560 1.00 11.90 H new ATOM 0 HB2 GLU A 119 35.721 17.870 39.720 1.00 13.88 H new ATOM 0 HB3 GLU A 119 36.569 16.734 40.370 1.00 13.88 H new ATOM 0 HG2 GLU A 119 37.217 15.949 38.300 1.00 18.20 H new ATOM 0 HG3 GLU A 119 36.231 16.916 37.577 1.00 18.20 H new ATOM 959 N GLY A 120 34.695 15.593 42.038 1.00 10.06 N ATOM 960 CA GLY A 120 34.229 15.698 43.411 1.00 10.74 C ATOM 961 C GLY A 120 32.740 15.660 43.685 1.00 9.14 C ATOM 962 O GLY A 120 32.010 14.838 43.135 1.00 10.71 O ATOM 0 H GLY A 120 35.378 15.080 41.939 1.00 10.06 H new ATOM 0 HA2 GLY A 120 34.638 14.977 43.915 1.00 10.74 H new ATOM 0 HA3 GLY A 120 34.573 16.529 43.774 1.00 10.74 H new ATOM 963 N GLY A 121 32.299 16.555 44.562 1.00 8.14 N ATOM 964 CA GLY A 121 30.896 16.614 44.924 1.00 8.59 C ATOM 965 C GLY A 121 29.965 17.000 43.788 1.00 9.23 C ATOM 966 O GLY A 121 28.758 16.776 43.874 1.00 7.94 O ATOM 0 H GLY A 121 32.798 17.134 44.956 1.00 8.14 H new ATOM 0 HA2 GLY A 121 30.626 15.748 45.267 1.00 8.59 H new ATOM 0 HA3 GLY A 121 30.787 17.252 45.646 1.00 8.59 H new ATOM 967 N PHE A 122 30.507 17.583 42.724 1.00 7.80 N ATOM 968 CA PHE A 122 29.661 17.979 41.607 1.00 7.95 C ATOM 969 C PHE A 122 29.169 16.719 40.915 1.00 7.98 C ATOM 970 O PHE A 122 27.984 16.580 40.618 1.00 7.72 O ATOM 971 CB PHE A 122 30.434 18.863 40.623 1.00 9.09 C ATOM 972 CG PHE A 122 31.118 20.035 41.269 1.00 6.47 C ATOM 973 CD1 PHE A 122 30.471 20.787 42.247 1.00 8.46 C ATOM 974 CD2 PHE A 122 32.415 20.382 40.913 1.00 9.50 C ATOM 975 CE1 PHE A 122 31.105 21.866 42.858 1.00 7.07 C ATOM 976 CE2 PHE A 122 33.058 21.461 41.519 1.00 8.10 C ATOM 977 CZ PHE A 122 32.400 22.201 42.493 1.00 9.48 C ATOM 0 H PHE A 122 31.344 17.755 42.630 1.00 7.80 H new ATOM 0 HA PHE A 122 28.909 18.497 41.934 1.00 7.95 H new ATOM 0 HB2 PHE A 122 31.098 18.322 40.168 1.00 9.09 H new ATOM 0 HB3 PHE A 122 29.822 19.190 39.945 1.00 9.09 H new ATOM 0 HD1 PHE A 122 29.603 20.565 42.496 1.00 8.46 H new ATOM 0 HD2 PHE A 122 32.860 19.889 40.262 1.00 9.50 H new ATOM 0 HE1 PHE A 122 30.661 22.360 43.509 1.00 7.07 H new ATOM 0 HE2 PHE A 122 33.926 21.685 41.271 1.00 8.10 H new ATOM 0 HZ PHE A 122 32.827 22.920 42.900 1.00 9.48 H new ATOM 978 N LYS A 123 30.088 15.791 40.678 1.00 9.75 N ATOM 979 CA LYS A 123 29.748 14.532 40.028 1.00 12.99 C ATOM 980 C LYS A 123 28.778 13.723 40.896 1.00 12.25 C ATOM 981 O LYS A 123 27.975 12.945 40.382 1.00 13.18 O ATOM 982 CB LYS A 123 31.020 13.715 39.787 1.00 16.34 C ATOM 983 CG LYS A 123 30.771 12.326 39.211 1.00 22.33 C ATOM 984 CD LYS A 123 31.903 11.371 39.570 1.00 24.91 C ATOM 985 CE LYS A 123 32.025 11.225 41.083 1.00 28.64 C ATOM 986 NZ LYS A 123 33.067 10.246 41.502 1.00 28.40 N ATOM 0 H LYS A 123 30.918 15.871 40.887 1.00 9.75 H new ATOM 0 HA LYS A 123 29.320 14.728 39.180 1.00 12.99 H new ATOM 0 HB2 LYS A 123 31.598 14.206 39.182 1.00 16.34 H new ATOM 0 HB3 LYS A 123 31.498 13.625 40.626 1.00 16.34 H new ATOM 0 HG2 LYS A 123 29.931 11.978 39.550 1.00 22.33 H new ATOM 0 HG3 LYS A 123 30.686 12.383 38.246 1.00 22.33 H new ATOM 0 HD2 LYS A 123 31.740 10.503 39.169 1.00 24.91 H new ATOM 0 HD3 LYS A 123 32.739 11.700 39.204 1.00 24.91 H new ATOM 0 HE2 LYS A 123 32.231 12.091 41.469 1.00 28.64 H new ATOM 0 HE3 LYS A 123 31.168 10.949 41.445 1.00 28.64 H new ATOM 0 HZ1 LYS A 123 33.093 10.202 42.391 1.00 28.40 H new ATOM 0 HZ2 LYS A 123 32.870 9.443 41.172 1.00 28.40 H new ATOM 0 HZ3 LYS A 123 33.860 10.507 41.194 1.00 28.40 H new ATOM 987 N GLU A 124 28.851 13.920 42.210 1.00 10.54 N ATOM 988 CA GLU A 124 27.996 13.195 43.151 1.00 11.88 C ATOM 989 C GLU A 124 26.607 13.788 43.363 1.00 11.02 C ATOM 990 O GLU A 124 25.758 13.165 44.001 1.00 12.21 O ATOM 991 CB GLU A 124 28.691 13.088 44.511 1.00 14.74 C ATOM 992 CG GLU A 124 29.946 12.235 44.507 1.00 21.33 C ATOM 993 CD GLU A 124 29.652 10.778 44.203 1.00 23.80 C ATOM 994 OE1 GLU A 124 28.936 10.139 45.000 1.00 27.43 O ATOM 995 OE2 GLU A 124 30.136 10.273 43.171 1.00 27.18 O ATOM 0 H GLU A 124 29.394 14.474 42.581 1.00 10.54 H new ATOM 0 HA GLU A 124 27.860 12.326 42.741 1.00 11.88 H new ATOM 0 HB2 GLU A 124 28.920 13.980 44.816 1.00 14.74 H new ATOM 0 HB3 GLU A 124 28.065 12.720 45.154 1.00 14.74 H new ATOM 0 HG2 GLU A 124 30.568 12.581 43.848 1.00 21.33 H new ATOM 0 HG3 GLU A 124 30.382 12.301 45.371 1.00 21.33 H new ATOM 996 N THR A 125 26.374 14.988 42.840 1.00 10.16 N ATOM 997 CA THR A 125 25.082 15.649 43.011 1.00 7.65 C ATOM 998 C THR A 125 24.341 15.927 41.702 1.00 8.26 C ATOM 999 O THR A 125 23.132 15.692 41.587 1.00 9.58 O ATOM 1000 CB THR A 125 25.250 16.991 43.761 1.00 8.68 C ATOM 1001 OG1 THR A 125 26.261 17.774 43.115 1.00 5.77 O ATOM 1002 CG2 THR A 125 25.649 16.749 45.214 1.00 9.33 C ATOM 0 H THR A 125 26.949 15.436 42.384 1.00 10.16 H new ATOM 0 HA THR A 125 24.548 15.022 43.523 1.00 7.65 H new ATOM 0 HB THR A 125 24.403 17.464 43.745 1.00 8.68 H new ATOM 0 HG1 THR A 125 27.020 17.496 43.344 1.00 5.77 H new ATOM 0 HG21 THR A 125 25.750 17.600 45.668 1.00 9.33 H new ATOM 0 HG22 THR A 125 24.961 16.227 45.656 1.00 9.33 H new ATOM 0 HG23 THR A 125 26.490 16.266 45.243 1.00 9.33 H new ATOM 1003 N VAL A 126 25.069 16.440 40.720 1.00 7.63 N ATOM 1004 CA VAL A 126 24.491 16.771 39.424 1.00 7.36 C ATOM 1005 C VAL A 126 24.259 15.537 38.563 1.00 8.57 C ATOM 1006 O VAL A 126 25.100 14.644 38.505 1.00 9.85 O ATOM 1007 CB VAL A 126 25.414 17.741 38.652 1.00 7.05 C ATOM 1008 CG1 VAL A 126 24.793 18.108 37.306 1.00 7.54 C ATOM 1009 CG2 VAL A 126 25.652 18.986 39.484 1.00 8.47 C ATOM 0 H VAL A 126 25.910 16.606 40.785 1.00 7.63 H new ATOM 0 HA VAL A 126 23.634 17.189 39.603 1.00 7.36 H new ATOM 0 HB VAL A 126 26.264 17.305 38.484 1.00 7.05 H new ATOM 0 HG11 VAL A 126 25.382 18.716 36.833 1.00 7.54 H new ATOM 0 HG12 VAL A 126 24.667 17.304 36.778 1.00 7.54 H new ATOM 0 HG13 VAL A 126 23.935 18.537 37.451 1.00 7.54 H new ATOM 0 HG21 VAL A 126 26.231 19.594 38.999 1.00 8.47 H new ATOM 0 HG22 VAL A 126 24.804 19.422 39.664 1.00 8.47 H new ATOM 0 HG23 VAL A 126 26.073 18.740 40.323 1.00 8.47 H new ATOM 1010 N ILE A 127 23.107 15.484 37.901 1.00 7.67 N ATOM 1011 CA ILE A 127 22.806 14.365 37.018 1.00 10.08 C ATOM 1012 C ILE A 127 22.886 14.905 35.597 1.00 9.08 C ATOM 1013 O ILE A 127 22.049 15.696 35.173 1.00 8.69 O ATOM 1014 CB ILE A 127 21.401 13.809 37.281 1.00 10.92 C ATOM 1015 CG1 ILE A 127 21.278 13.431 38.761 1.00 14.92 C ATOM 1016 CG2 ILE A 127 21.147 12.587 36.395 1.00 12.89 C ATOM 1017 CD1 ILE A 127 19.862 13.418 39.275 1.00 18.40 C ATOM 0 H ILE A 127 22.491 16.082 37.949 1.00 7.67 H new ATOM 0 HA ILE A 127 23.433 13.640 37.167 1.00 10.08 H new ATOM 0 HB ILE A 127 20.738 14.484 37.068 1.00 10.92 H new ATOM 0 HG12 ILE A 127 21.669 12.553 38.895 1.00 14.92 H new ATOM 0 HG13 ILE A 127 21.798 14.056 39.289 1.00 14.92 H new ATOM 0 HG21 ILE A 127 20.257 12.242 36.567 1.00 12.89 H new ATOM 0 HG22 ILE A 127 21.219 12.843 35.462 1.00 12.89 H new ATOM 0 HG23 ILE A 127 21.804 11.901 36.593 1.00 12.89 H new ATOM 0 HD11 ILE A 127 19.860 13.172 40.213 1.00 18.40 H new ATOM 0 HD12 ILE A 127 19.472 14.300 39.172 1.00 18.40 H new ATOM 0 HD13 ILE A 127 19.341 12.774 38.771 1.00 18.40 H new ATOM 1018 N ASN A 128 23.910 14.482 34.869 1.00 9.65 N ATOM 1019 CA ASN A 128 24.110 14.944 33.507 1.00 11.08 C ATOM 1020 C ASN A 128 22.851 14.825 32.645 1.00 9.62 C ATOM 1021 O ASN A 128 22.233 13.758 32.567 1.00 10.80 O ATOM 1022 CB ASN A 128 25.269 14.175 32.865 1.00 10.18 C ATOM 1023 CG ASN A 128 25.681 14.759 31.533 1.00 13.36 C ATOM 1024 OD1 ASN A 128 26.011 15.943 31.441 1.00 11.13 O ATOM 1025 ND2 ASN A 128 25.670 13.931 30.488 1.00 14.04 N ATOM 0 H ASN A 128 24.502 13.925 35.148 1.00 9.65 H new ATOM 0 HA ASN A 128 24.324 15.889 33.554 1.00 11.08 H new ATOM 0 HB2 ASN A 128 26.030 14.180 33.467 1.00 10.18 H new ATOM 0 HB3 ASN A 128 25.010 13.248 32.743 1.00 10.18 H new ATOM 0 HD21 ASN A 128 25.899 14.217 29.710 1.00 14.04 H new ATOM 0 HD22 ASN A 128 25.433 13.111 30.592 1.00 14.04 H new ATOM 1026 N GLU A 129 22.482 15.936 32.010 1.00 9.91 N ATOM 1027 CA GLU A 129 21.310 16.022 31.141 1.00 11.95 C ATOM 1028 C GLU A 129 19.958 15.886 31.840 1.00 12.72 C ATOM 1029 O GLU A 129 18.927 15.721 31.181 1.00 13.34 O ATOM 1030 CB GLU A 129 21.415 14.994 30.005 1.00 15.57 C ATOM 1031 CG GLU A 129 22.433 15.374 28.938 1.00 18.57 C ATOM 1032 CD GLU A 129 22.545 14.345 27.822 1.00 22.63 C ATOM 1033 OE1 GLU A 129 23.202 14.651 26.804 1.00 23.51 O ATOM 1034 OE2 GLU A 129 21.988 13.235 27.965 1.00 23.36 O ATOM 0 H GLU A 129 22.915 16.676 32.074 1.00 9.91 H new ATOM 0 HA GLU A 129 21.326 16.928 30.795 1.00 11.95 H new ATOM 0 HB2 GLU A 129 21.655 14.132 30.379 1.00 15.57 H new ATOM 0 HB3 GLU A 129 20.544 14.891 29.590 1.00 15.57 H new ATOM 0 HG2 GLU A 129 22.188 16.231 28.556 1.00 18.57 H new ATOM 0 HG3 GLU A 129 23.302 15.487 29.354 1.00 18.57 H new ATOM 1035 N LYS A 130 19.956 15.966 33.168 1.00 11.07 N ATOM 1036 CA LYS A 130 18.715 15.858 33.929 1.00 12.06 C ATOM 1037 C LYS A 130 18.557 17.002 34.931 1.00 10.59 C ATOM 1038 O LYS A 130 17.448 17.484 35.153 1.00 10.06 O ATOM 1039 CB LYS A 130 18.651 14.503 34.631 1.00 13.96 C ATOM 1040 CG LYS A 130 18.933 13.361 33.667 1.00 18.84 C ATOM 1041 CD LYS A 130 18.417 12.022 34.153 1.00 20.79 C ATOM 1042 CE LYS A 130 18.706 10.957 33.106 1.00 22.89 C ATOM 1043 NZ LYS A 130 18.087 9.649 33.424 1.00 24.11 N ATOM 0 H LYS A 130 20.661 16.082 33.646 1.00 11.07 H new ATOM 0 HA LYS A 130 17.975 15.926 33.306 1.00 12.06 H new ATOM 0 HB2 LYS A 130 19.295 14.482 35.356 1.00 13.96 H new ATOM 0 HB3 LYS A 130 17.774 14.384 35.027 1.00 13.96 H new ATOM 0 HG2 LYS A 130 18.529 13.564 32.809 1.00 18.84 H new ATOM 0 HG3 LYS A 130 19.890 13.298 33.522 1.00 18.84 H new ATOM 0 HD2 LYS A 130 18.841 11.787 34.993 1.00 20.79 H new ATOM 0 HD3 LYS A 130 17.463 12.074 34.321 1.00 20.79 H new ATOM 0 HE2 LYS A 130 18.382 11.262 32.244 1.00 22.89 H new ATOM 0 HE3 LYS A 130 19.666 10.843 33.024 1.00 22.89 H new ATOM 0 HZ1 LYS A 130 18.285 9.063 32.784 1.00 24.11 H new ATOM 0 HZ2 LYS A 130 18.400 9.354 34.203 1.00 24.11 H new ATOM 0 HZ3 LYS A 130 17.204 9.743 33.476 1.00 24.11 H new ATOM 1044 N THR A 131 19.653 17.430 35.549 1.00 7.98 N ATOM 1045 CA THR A 131 19.583 18.562 36.473 1.00 8.05 C ATOM 1046 C THR A 131 20.690 19.537 36.104 1.00 7.53 C ATOM 1047 O THR A 131 21.046 20.424 36.874 1.00 7.86 O ATOM 1048 CB THR A 131 19.743 18.146 37.956 1.00 8.76 C ATOM 1049 OG1 THR A 131 21.081 17.689 38.200 1.00 9.36 O ATOM 1050 CG2 THR A 131 18.740 17.051 38.310 1.00 7.92 C ATOM 0 H THR A 131 20.436 17.087 35.451 1.00 7.98 H new ATOM 0 HA THR A 131 18.704 18.963 36.390 1.00 8.05 H new ATOM 0 HB THR A 131 19.570 18.919 38.516 1.00 8.76 H new ATOM 0 HG1 THR A 131 21.095 17.222 38.898 1.00 9.36 H new ATOM 0 HG21 THR A 131 18.850 16.799 39.240 1.00 7.92 H new ATOM 0 HG22 THR A 131 17.838 17.380 38.169 1.00 7.92 H new ATOM 0 HG23 THR A 131 18.893 16.277 37.746 1.00 7.92 H new ATOM 1051 N GLY A 132 21.225 19.359 34.902 1.00 8.97 N ATOM 1052 CA GLY A 132 22.295 20.212 34.427 1.00 8.38 C ATOM 1053 C GLY A 132 23.210 19.403 33.538 1.00 7.25 C ATOM 1054 O GLY A 132 22.783 18.431 32.912 1.00 7.49 O ATOM 0 H GLY A 132 20.980 18.748 34.348 1.00 8.97 H new ATOM 0 HA2 GLY A 132 21.930 20.965 33.936 1.00 8.38 H new ATOM 0 HA3 GLY A 132 22.792 20.576 35.177 1.00 8.38 H new ATOM 1055 N TYR A 133 24.475 19.794 33.486 1.00 7.25 N ATOM 1056 CA TYR A 133 25.440 19.093 32.653 1.00 8.23 C ATOM 1057 C TYR A 133 26.787 18.953 33.359 1.00 8.99 C ATOM 1058 O TYR A 133 27.243 19.875 34.033 1.00 9.01 O ATOM 1059 CB TYR A 133 25.634 19.854 31.339 1.00 10.23 C ATOM 1060 CG TYR A 133 24.363 20.038 30.542 1.00 10.77 C ATOM 1061 CD1 TYR A 133 23.834 18.991 29.789 1.00 13.07 C ATOM 1062 CD2 TYR A 133 23.670 21.250 30.562 1.00 11.45 C ATOM 1063 CE1 TYR A 133 22.646 19.144 29.078 1.00 13.58 C ATOM 1064 CE2 TYR A 133 22.477 21.410 29.853 1.00 14.10 C ATOM 1065 CZ TYR A 133 21.973 20.353 29.115 1.00 14.58 C ATOM 1066 OH TYR A 133 20.789 20.493 28.422 1.00 15.66 O ATOM 0 H TYR A 133 24.795 20.461 33.924 1.00 7.25 H new ATOM 0 HA TYR A 133 25.094 18.204 32.476 1.00 8.23 H new ATOM 0 HB2 TYR A 133 26.012 20.726 31.534 1.00 10.23 H new ATOM 0 HB3 TYR A 133 26.281 19.380 30.794 1.00 10.23 H new ATOM 0 HD1 TYR A 133 24.282 18.176 29.761 1.00 13.07 H new ATOM 0 HD2 TYR A 133 24.008 21.962 31.055 1.00 11.45 H new ATOM 0 HE1 TYR A 133 22.306 18.436 28.580 1.00 13.58 H new ATOM 0 HE2 TYR A 133 22.024 22.222 29.877 1.00 14.10 H new ATOM 0 HH TYR A 133 20.816 20.026 27.724 1.00 15.66 H new ATOM 1067 N LEU A 134 27.415 17.793 33.204 1.00 9.54 N ATOM 1068 CA LEU A 134 28.725 17.547 33.793 1.00 8.65 C ATOM 1069 C LEU A 134 29.703 17.529 32.631 1.00 10.31 C ATOM 1070 O LEU A 134 29.520 16.784 31.664 1.00 11.39 O ATOM 1071 CB LEU A 134 28.750 16.208 34.536 1.00 8.40 C ATOM 1072 CG LEU A 134 28.046 16.150 35.901 1.00 9.38 C ATOM 1073 CD1 LEU A 134 27.977 14.707 36.378 1.00 8.05 C ATOM 1074 CD2 LEU A 134 28.789 17.011 36.908 1.00 11.35 C ATOM 0 H LEU A 134 27.096 17.131 32.758 1.00 9.54 H new ATOM 0 HA LEU A 134 28.952 18.229 34.444 1.00 8.65 H new ATOM 0 HB2 LEU A 134 28.348 15.538 33.962 1.00 8.40 H new ATOM 0 HB3 LEU A 134 29.677 15.953 34.664 1.00 8.40 H new ATOM 0 HG LEU A 134 27.143 16.494 35.813 1.00 9.38 H new ATOM 0 HD11 LEU A 134 27.533 14.672 37.239 1.00 8.05 H new ATOM 0 HD12 LEU A 134 27.479 14.177 35.736 1.00 8.05 H new ATOM 0 HD13 LEU A 134 28.875 14.351 36.463 1.00 8.05 H new ATOM 0 HD21 LEU A 134 28.338 16.968 37.766 1.00 11.35 H new ATOM 0 HD22 LEU A 134 29.698 16.685 37.004 1.00 11.35 H new ATOM 0 HD23 LEU A 134 28.807 17.930 36.598 1.00 11.35 H new ATOM 1075 N VAL A 135 30.731 18.364 32.716 1.00 9.65 N ATOM 1076 CA VAL A 135 31.721 18.458 31.650 1.00 12.05 C ATOM 1077 C VAL A 135 33.130 18.463 32.226 1.00 10.75 C ATOM 1078 O VAL A 135 33.314 18.412 33.434 1.00 11.78 O ATOM 1079 CB VAL A 135 31.530 19.757 30.828 1.00 11.25 C ATOM 1080 CG1 VAL A 135 30.126 19.797 30.220 1.00 13.70 C ATOM 1081 CG2 VAL A 135 31.752 20.972 31.717 1.00 13.39 C ATOM 0 H VAL A 135 30.874 18.886 33.384 1.00 9.65 H new ATOM 0 HA VAL A 135 31.599 17.686 31.075 1.00 12.05 H new ATOM 0 HB VAL A 135 32.180 19.771 30.108 1.00 11.25 H new ATOM 0 HG11 VAL A 135 30.018 20.614 29.708 1.00 13.70 H new ATOM 0 HG12 VAL A 135 30.004 19.032 29.637 1.00 13.70 H new ATOM 0 HG13 VAL A 135 29.465 19.771 30.929 1.00 13.70 H new ATOM 0 HG21 VAL A 135 31.631 21.781 31.196 1.00 13.39 H new ATOM 0 HG22 VAL A 135 31.114 20.960 32.447 1.00 13.39 H new ATOM 0 HG23 VAL A 135 32.653 20.951 32.075 1.00 13.39 H new ATOM 1082 N ASN A 136 34.125 18.510 31.350 1.00 12.37 N ATOM 1083 CA ASN A 136 35.508 18.555 31.794 1.00 13.76 C ATOM 1084 C ASN A 136 35.848 20.030 31.994 1.00 12.61 C ATOM 1085 O ASN A 136 35.125 20.901 31.502 1.00 13.48 O ATOM 1086 CB ASN A 136 36.417 17.938 30.732 1.00 16.41 C ATOM 1087 CG ASN A 136 36.094 16.478 30.466 1.00 19.43 C ATOM 1088 OD1 ASN A 136 36.159 15.640 31.367 1.00 19.92 O ATOM 1089 ND2 ASN A 136 35.745 16.167 29.222 1.00 18.83 N ATOM 0 H ASN A 136 34.020 18.517 30.496 1.00 12.37 H new ATOM 0 HA ASN A 136 35.635 18.054 32.615 1.00 13.76 H new ATOM 0 HB2 ASN A 136 36.332 18.440 29.907 1.00 16.41 H new ATOM 0 HB3 ASN A 136 37.341 18.015 31.017 1.00 16.41 H new ATOM 0 HD21 ASN A 136 35.553 15.353 29.020 1.00 18.83 H new ATOM 0 HD22 ASN A 136 35.711 16.779 28.619 1.00 18.83 H new ATOM 1090 N ALA A 137 36.924 20.309 32.725 1.00 11.51 N ATOM 1091 CA ALA A 137 37.353 21.685 32.961 1.00 11.42 C ATOM 1092 C ALA A 137 37.840 22.167 31.607 1.00 11.52 C ATOM 1093 O ALA A 137 39.038 22.164 31.322 1.00 11.40 O ATOM 1094 CB ALA A 137 38.492 21.718 33.976 1.00 11.22 C ATOM 0 H ALA A 137 37.422 19.713 33.095 1.00 11.51 H new ATOM 0 HA ALA A 137 36.642 22.239 33.318 1.00 11.42 H new ATOM 0 HB1 ALA A 137 38.767 22.636 34.124 1.00 11.22 H new ATOM 0 HB2 ALA A 137 38.191 21.332 34.814 1.00 11.22 H new ATOM 0 HB3 ALA A 137 39.243 21.206 33.637 1.00 11.22 H new ATOM 1095 N ASP A 138 36.891 22.579 30.779 1.00 9.83 N ATOM 1096 CA ASP A 138 37.185 23.003 29.423 1.00 10.26 C ATOM 1097 C ASP A 138 36.270 24.149 29.006 1.00 8.96 C ATOM 1098 O ASP A 138 35.050 24.036 29.083 1.00 7.10 O ATOM 1099 CB ASP A 138 36.990 21.797 28.503 1.00 11.61 C ATOM 1100 CG ASP A 138 37.261 22.112 27.051 1.00 13.79 C ATOM 1101 OD1 ASP A 138 36.485 22.885 26.463 1.00 12.30 O ATOM 1102 OD2 ASP A 138 38.251 21.577 26.511 1.00 16.04 O ATOM 0 H ASP A 138 36.058 22.620 30.989 1.00 9.83 H new ATOM 0 HA ASP A 138 38.098 23.326 29.365 1.00 10.26 H new ATOM 0 HB2 ASP A 138 37.578 21.080 28.788 1.00 11.61 H new ATOM 0 HB3 ASP A 138 36.081 21.471 28.594 1.00 11.61 H new ATOM 1103 N VAL A 139 36.870 25.251 28.570 1.00 8.39 N ATOM 1104 CA VAL A 139 36.115 26.425 28.150 1.00 8.40 C ATOM 1105 C VAL A 139 35.017 26.112 27.135 1.00 8.19 C ATOM 1106 O VAL A 139 33.873 26.509 27.324 1.00 7.29 O ATOM 1107 CB VAL A 139 37.049 27.499 27.544 1.00 9.38 C ATOM 1108 CG1 VAL A 139 36.238 28.713 27.114 1.00 8.95 C ATOM 1109 CG2 VAL A 139 38.102 27.902 28.564 1.00 11.30 C ATOM 0 H VAL A 139 37.723 25.339 28.509 1.00 8.39 H new ATOM 0 HA VAL A 139 35.692 26.757 28.957 1.00 8.40 H new ATOM 0 HB VAL A 139 37.493 27.131 26.764 1.00 9.38 H new ATOM 0 HG11 VAL A 139 36.831 29.381 26.736 1.00 8.95 H new ATOM 0 HG12 VAL A 139 35.585 28.447 26.448 1.00 8.95 H new ATOM 0 HG13 VAL A 139 35.781 29.086 27.884 1.00 8.95 H new ATOM 0 HG21 VAL A 139 38.685 28.575 28.179 1.00 11.30 H new ATOM 0 HG22 VAL A 139 37.668 28.263 29.352 1.00 11.30 H new ATOM 0 HG23 VAL A 139 38.627 27.125 28.812 1.00 11.30 H new ATOM 1110 N ASN A 140 35.355 25.396 26.066 1.00 8.48 N ATOM 1111 CA ASN A 140 34.367 25.105 25.038 1.00 8.17 C ATOM 1112 C ASN A 140 33.221 24.225 25.531 1.00 8.73 C ATOM 1113 O ASN A 140 32.061 24.467 25.191 1.00 7.12 O ATOM 1114 CB ASN A 140 35.031 24.460 23.821 1.00 10.76 C ATOM 1115 CG ASN A 140 34.225 24.668 22.551 1.00 13.93 C ATOM 1116 OD1 ASN A 140 33.949 25.805 22.163 1.00 13.35 O ATOM 1117 ND2 ASN A 140 33.845 23.578 21.899 1.00 13.66 N ATOM 0 H ASN A 140 36.139 25.075 25.920 1.00 8.48 H new ATOM 0 HA ASN A 140 33.979 25.958 24.788 1.00 8.17 H new ATOM 0 HB2 ASN A 140 35.919 24.833 23.703 1.00 10.76 H new ATOM 0 HB3 ASN A 140 35.141 23.510 23.980 1.00 10.76 H new ATOM 0 HD21 ASN A 140 33.387 23.648 21.174 1.00 13.66 H new ATOM 0 HD22 ASN A 140 34.057 22.801 22.201 1.00 13.66 H new ATOM 1118 N GLU A 141 33.543 23.211 26.331 1.00 7.80 N ATOM 1119 CA GLU A 141 32.522 22.311 26.864 1.00 8.11 C ATOM 1120 C GLU A 141 31.545 23.051 27.773 1.00 8.54 C ATOM 1121 O GLU A 141 30.336 22.797 27.747 1.00 7.72 O ATOM 1122 CB GLU A 141 33.177 21.165 27.636 1.00 7.51 C ATOM 1123 CG GLU A 141 33.867 20.144 26.744 1.00 12.58 C ATOM 1124 CD GLU A 141 34.396 18.956 27.521 1.00 15.77 C ATOM 1125 OE1 GLU A 141 33.617 18.372 28.305 1.00 15.93 O ATOM 1126 OE2 GLU A 141 35.582 18.602 27.339 1.00 17.63 O ATOM 0 H GLU A 141 34.346 23.027 26.577 1.00 7.80 H new ATOM 0 HA GLU A 141 32.025 21.952 26.112 1.00 8.11 H new ATOM 0 HB2 GLU A 141 33.826 21.532 28.256 1.00 7.51 H new ATOM 0 HB3 GLU A 141 32.501 20.715 28.167 1.00 7.51 H new ATOM 0 HG2 GLU A 141 33.242 19.833 26.070 1.00 12.58 H new ATOM 0 HG3 GLU A 141 34.600 20.572 26.275 1.00 12.58 H new ATOM 1127 N ILE A 142 32.071 23.960 28.589 1.00 7.55 N ATOM 1128 CA ILE A 142 31.231 24.736 29.490 1.00 6.99 C ATOM 1129 C ILE A 142 30.300 25.650 28.694 1.00 8.02 C ATOM 1130 O ILE A 142 29.103 25.743 28.985 1.00 6.97 O ATOM 1131 CB ILE A 142 32.091 25.587 30.459 1.00 7.35 C ATOM 1132 CG1 ILE A 142 32.859 24.657 31.405 1.00 7.76 C ATOM 1133 CG2 ILE A 142 31.206 26.564 31.225 1.00 6.34 C ATOM 1134 CD1 ILE A 142 33.802 25.365 32.365 1.00 7.36 C ATOM 0 H ILE A 142 32.910 24.141 28.635 1.00 7.55 H new ATOM 0 HA ILE A 142 30.701 24.113 30.012 1.00 6.99 H new ATOM 0 HB ILE A 142 32.735 26.110 29.957 1.00 7.35 H new ATOM 0 HG12 ILE A 142 32.220 24.141 31.921 1.00 7.76 H new ATOM 0 HG13 ILE A 142 33.371 24.027 30.874 1.00 7.76 H new ATOM 0 HG21 ILE A 142 31.753 27.092 31.828 1.00 6.34 H new ATOM 0 HG22 ILE A 142 30.756 27.152 30.599 1.00 6.34 H new ATOM 0 HG23 ILE A 142 30.546 26.070 31.736 1.00 6.34 H new ATOM 0 HD11 ILE A 142 34.246 24.709 32.925 1.00 7.36 H new ATOM 0 HD12 ILE A 142 34.465 25.861 31.860 1.00 7.36 H new ATOM 0 HD13 ILE A 142 33.297 25.977 32.923 1.00 7.36 H new ATOM 1135 N ILE A 143 30.847 26.319 27.682 1.00 7.30 N ATOM 1136 CA ILE A 143 30.048 27.218 26.857 1.00 8.71 C ATOM 1137 C ILE A 143 28.922 26.457 26.148 1.00 9.21 C ATOM 1138 O ILE A 143 27.792 26.936 26.084 1.00 8.50 O ATOM 1139 CB ILE A 143 30.927 27.958 25.809 1.00 9.59 C ATOM 1140 CG1 ILE A 143 31.809 28.996 26.517 1.00 9.09 C ATOM 1141 CG2 ILE A 143 30.041 28.642 24.767 1.00 11.53 C ATOM 1142 CD1 ILE A 143 32.825 29.680 25.611 1.00 12.83 C ATOM 0 H ILE A 143 31.676 26.266 27.458 1.00 7.30 H new ATOM 0 HA ILE A 143 29.655 27.879 27.449 1.00 8.71 H new ATOM 0 HB ILE A 143 31.494 27.314 25.358 1.00 9.59 H new ATOM 0 HG12 ILE A 143 31.238 29.673 26.914 1.00 9.09 H new ATOM 0 HG13 ILE A 143 32.281 28.561 27.244 1.00 9.09 H new ATOM 0 HG21 ILE A 143 30.598 29.100 24.119 1.00 11.53 H new ATOM 0 HG22 ILE A 143 29.500 27.976 24.314 1.00 11.53 H new ATOM 0 HG23 ILE A 143 29.462 29.284 25.206 1.00 11.53 H new ATOM 0 HD11 ILE A 143 33.341 30.318 26.128 1.00 12.83 H new ATOM 0 HD12 ILE A 143 33.420 29.015 25.232 1.00 12.83 H new ATOM 0 HD13 ILE A 143 32.361 30.143 24.896 1.00 12.83 H new ATOM 1143 N ASP A 144 29.225 25.274 25.624 1.00 9.08 N ATOM 1144 CA ASP A 144 28.201 24.492 24.945 1.00 8.72 C ATOM 1145 C ASP A 144 27.056 24.145 25.897 1.00 10.02 C ATOM 1146 O ASP A 144 25.880 24.218 25.521 1.00 9.97 O ATOM 1147 CB ASP A 144 28.815 23.227 24.345 1.00 10.96 C ATOM 1148 CG ASP A 144 29.555 23.509 23.044 1.00 15.17 C ATOM 1149 OD1 ASP A 144 30.201 22.592 22.498 1.00 17.34 O ATOM 1150 OD2 ASP A 144 29.478 24.663 22.568 1.00 19.00 O ATOM 0 H ASP A 144 30.004 24.912 25.650 1.00 9.08 H new ATOM 0 HA ASP A 144 27.833 25.027 24.225 1.00 8.72 H new ATOM 0 HB2 ASP A 144 29.428 22.832 24.985 1.00 10.96 H new ATOM 0 HB3 ASP A 144 28.115 22.575 24.183 1.00 10.96 H new ATOM 1151 N ALA A 145 27.402 23.781 27.130 1.00 8.62 N ATOM 1152 CA ALA A 145 26.410 23.435 28.146 1.00 8.22 C ATOM 1153 C ALA A 145 25.573 24.661 28.500 1.00 9.22 C ATOM 1154 O ALA A 145 24.350 24.577 28.636 1.00 8.31 O ATOM 1155 CB ALA A 145 27.107 22.905 29.391 1.00 6.87 C ATOM 0 H ALA A 145 28.217 23.728 27.401 1.00 8.62 H new ATOM 0 HA ALA A 145 25.825 22.747 27.793 1.00 8.22 H new ATOM 0 HB1 ALA A 145 26.444 22.677 30.061 1.00 6.87 H new ATOM 0 HB2 ALA A 145 27.620 22.114 29.163 1.00 6.87 H new ATOM 0 HB3 ALA A 145 27.702 23.585 29.743 1.00 6.87 H new HETATM 1156 N MSE A 146 26.238 25.800 28.657 1.00 9.39 N HETATM 1157 CA MSE A 146 25.541 27.034 28.987 1.00 11.75 C HETATM 1158 C MSE A 146 24.561 27.439 27.893 1.00 14.07 C HETATM 1159 O MSE A 146 23.463 27.919 28.184 1.00 14.67 O HETATM 1160 CB MSE A 146 26.545 28.159 29.229 1.00 14.31 C HETATM 1161 CG MSE A 146 27.161 28.129 30.614 1.00 19.09 C HETATM 1162 SE MSE A 146 28.560 29.441 30.793 1.00 30.15 SE HETATM 1163 CE MSE A 146 27.490 31.019 30.583 1.00 21.72 C HETATM 0 H MSE A 146 27.091 25.879 28.577 1.00 9.39 H new HETATM 0 HA MSE A 146 25.033 26.875 29.798 1.00 11.75 H new HETATM 0 HB2 MSE A 146 27.251 28.101 28.567 1.00 14.31 H new HETATM 0 HB3 MSE A 146 26.103 29.012 29.098 1.00 14.31 H new HETATM 0 HG2 MSE A 146 26.474 28.294 31.279 1.00 19.09 H new HETATM 0 HG3 MSE A 146 27.520 27.245 30.791 1.00 19.09 H new HETATM 0 HE1 MSE A 146 28.055 31.805 30.648 1.00 21.72 H new HETATM 0 HE2 MSE A 146 27.057 31.004 29.715 1.00 21.72 H new HETATM 0 HE3 MSE A 146 26.816 31.048 31.280 1.00 21.72 H new ATOM 1164 N LYS A 147 24.955 27.244 26.638 1.00 13.27 N ATOM 1165 CA LYS A 147 24.091 27.595 25.518 1.00 14.55 C ATOM 1166 C LYS A 147 22.820 26.753 25.512 1.00 13.96 C ATOM 1167 O LYS A 147 21.757 27.229 25.100 1.00 15.75 O ATOM 1168 CB LYS A 147 24.835 27.430 24.189 1.00 16.25 C ATOM 1169 CG LYS A 147 25.850 28.533 23.908 1.00 18.54 C ATOM 1170 CD LYS A 147 26.515 28.344 22.551 1.00 22.15 C ATOM 1171 CE LYS A 147 27.481 29.479 22.241 1.00 23.50 C ATOM 1172 NZ LYS A 147 26.794 30.805 22.205 1.00 23.32 N ATOM 0 H LYS A 147 25.716 26.911 26.415 1.00 13.27 H new ATOM 0 HA LYS A 147 23.838 28.525 25.624 1.00 14.55 H new ATOM 0 HB2 LYS A 147 25.292 26.574 24.188 1.00 16.25 H new ATOM 0 HB3 LYS A 147 24.188 27.407 23.467 1.00 16.25 H new ATOM 0 HG2 LYS A 147 25.408 29.396 23.936 1.00 18.54 H new ATOM 0 HG3 LYS A 147 26.526 28.538 24.604 1.00 18.54 H new ATOM 0 HD2 LYS A 147 26.991 27.499 22.538 1.00 22.15 H new ATOM 0 HD3 LYS A 147 25.836 28.298 21.860 1.00 22.15 H new ATOM 0 HE2 LYS A 147 28.183 29.497 22.911 1.00 23.50 H new ATOM 0 HE3 LYS A 147 27.909 29.314 21.386 1.00 23.50 H new ATOM 0 HZ1 LYS A 147 27.059 31.257 21.486 1.00 23.32 H new ATOM 0 HZ2 LYS A 147 25.913 30.682 22.170 1.00 23.32 H new ATOM 0 HZ3 LYS A 147 27.000 31.266 22.937 1.00 23.32 H new ATOM 1173 N LYS A 148 22.922 25.505 25.962 1.00 11.84 N ATOM 1174 CA LYS A 148 21.753 24.632 26.016 1.00 12.83 C ATOM 1175 C LYS A 148 20.752 25.192 27.018 1.00 12.67 C ATOM 1176 O LYS A 148 19.560 25.295 26.734 1.00 12.99 O ATOM 1177 CB LYS A 148 22.146 23.215 26.442 1.00 14.42 C ATOM 1178 CG LYS A 148 22.928 22.433 25.408 1.00 15.80 C ATOM 1179 CD LYS A 148 23.365 21.101 25.992 1.00 17.48 C ATOM 1180 CE LYS A 148 24.292 20.358 25.061 1.00 20.08 C ATOM 1181 NZ LYS A 148 24.910 19.188 25.743 1.00 20.15 N ATOM 0 H LYS A 148 23.653 25.147 26.239 1.00 11.84 H new ATOM 0 HA LYS A 148 21.359 24.593 25.131 1.00 12.83 H new ATOM 0 HB2 LYS A 148 22.674 23.270 27.254 1.00 14.42 H new ATOM 0 HB3 LYS A 148 21.340 22.722 26.660 1.00 14.42 H new ATOM 0 HG2 LYS A 148 22.382 22.286 24.620 1.00 15.80 H new ATOM 0 HG3 LYS A 148 23.704 22.941 25.125 1.00 15.80 H new ATOM 0 HD2 LYS A 148 23.810 21.250 26.841 1.00 17.48 H new ATOM 0 HD3 LYS A 148 22.584 20.556 26.174 1.00 17.48 H new ATOM 0 HE2 LYS A 148 23.800 20.059 24.281 1.00 20.08 H new ATOM 0 HE3 LYS A 148 24.987 20.957 24.746 1.00 20.08 H new ATOM 0 HZ1 LYS A 148 25.451 18.766 25.177 1.00 20.15 H new ATOM 0 HZ2 LYS A 148 25.377 19.467 26.447 1.00 20.15 H new ATOM 0 HZ3 LYS A 148 24.271 18.630 26.014 1.00 20.15 H new ATOM 1182 N VAL A 149 21.251 25.551 28.196 1.00 13.41 N ATOM 1183 CA VAL A 149 20.408 26.106 29.249 1.00 13.26 C ATOM 1184 C VAL A 149 19.732 27.385 28.760 1.00 15.68 C ATOM 1185 O VAL A 149 18.543 27.600 28.994 1.00 16.43 O ATOM 1186 CB VAL A 149 21.251 26.407 30.511 1.00 12.92 C ATOM 1187 CG1 VAL A 149 20.377 27.010 31.606 1.00 11.30 C ATOM 1188 CG2 VAL A 149 21.906 25.122 31.003 1.00 12.29 C ATOM 0 H VAL A 149 22.082 25.481 28.407 1.00 13.41 H new ATOM 0 HA VAL A 149 19.727 25.454 29.476 1.00 13.26 H new ATOM 0 HB VAL A 149 21.941 27.051 30.285 1.00 12.92 H new ATOM 0 HG11 VAL A 149 20.919 27.193 32.389 1.00 11.30 H new ATOM 0 HG12 VAL A 149 19.982 27.836 31.287 1.00 11.30 H new ATOM 0 HG13 VAL A 149 19.673 26.385 31.839 1.00 11.30 H new ATOM 0 HG21 VAL A 149 22.435 25.310 31.794 1.00 12.29 H new ATOM 0 HG22 VAL A 149 21.220 24.472 31.220 1.00 12.29 H new ATOM 0 HG23 VAL A 149 22.481 24.765 30.308 1.00 12.29 H new ATOM 1189 N SER A 150 20.492 28.226 28.068 1.00 17.05 N ATOM 1190 CA SER A 150 19.955 29.479 27.553 1.00 19.94 C ATOM 1191 C SER A 150 18.735 29.270 26.654 1.00 20.08 C ATOM 1192 O SER A 150 17.811 30.085 26.649 1.00 20.17 O ATOM 1193 CB SER A 150 21.041 30.235 26.789 1.00 21.60 C ATOM 1194 OG SER A 150 22.120 30.557 27.654 1.00 25.75 O ATOM 0 H SER A 150 21.321 28.090 27.886 1.00 17.05 H new ATOM 0 HA SER A 150 19.662 30.001 28.317 1.00 19.94 H new ATOM 0 HB2 SER A 150 21.361 29.694 26.050 1.00 21.60 H new ATOM 0 HB3 SER A 150 20.671 31.046 26.407 1.00 21.60 H new ATOM 0 HG SER A 150 22.551 29.860 27.836 1.00 25.75 H new ATOM 1195 N LYS A 151 18.729 28.179 25.900 1.00 19.41 N ATOM 1196 CA LYS A 151 17.614 27.886 25.005 1.00 20.09 C ATOM 1197 C LYS A 151 16.374 27.386 25.739 1.00 20.46 C ATOM 1198 O LYS A 151 15.251 27.590 25.281 1.00 20.67 O ATOM 1199 CB LYS A 151 18.043 26.859 23.956 1.00 21.07 C ATOM 1200 CG LYS A 151 18.844 27.445 22.806 1.00 21.38 C ATOM 1201 CD LYS A 151 17.954 28.241 21.862 1.00 23.00 C ATOM 1202 CE LYS A 151 18.762 28.869 20.731 1.00 25.62 C ATOM 1203 NZ LYS A 151 17.893 29.585 19.744 1.00 22.92 N ATOM 0 H LYS A 151 19.360 27.595 25.890 1.00 19.41 H new ATOM 0 HA LYS A 151 17.372 28.722 24.577 1.00 20.09 H new ATOM 0 HB2 LYS A 151 18.572 26.171 24.389 1.00 21.07 H new ATOM 0 HB3 LYS A 151 17.252 26.426 23.599 1.00 21.07 H new ATOM 0 HG2 LYS A 151 19.543 28.019 23.156 1.00 21.38 H new ATOM 0 HG3 LYS A 151 19.281 26.731 22.317 1.00 21.38 H new ATOM 0 HD2 LYS A 151 17.272 27.660 21.490 1.00 23.00 H new ATOM 0 HD3 LYS A 151 17.494 28.936 22.358 1.00 23.00 H new ATOM 0 HE2 LYS A 151 19.406 29.491 21.103 1.00 25.62 H new ATOM 0 HE3 LYS A 151 19.266 28.178 20.274 1.00 25.62 H new ATOM 0 HZ1 LYS A 151 18.079 29.299 18.922 1.00 22.92 H new ATOM 0 HZ2 LYS A 151 17.038 29.422 19.928 1.00 22.92 H new ATOM 0 HZ3 LYS A 151 18.045 30.460 19.795 1.00 22.92 H new ATOM 1204 N ASN A 152 16.576 26.733 26.878 1.00 19.52 N ATOM 1205 CA ASN A 152 15.461 26.206 27.658 1.00 18.93 C ATOM 1206 C ASN A 152 15.844 26.231 29.139 1.00 19.38 C ATOM 1207 O ASN A 152 16.240 25.215 29.703 1.00 17.28 O ATOM 1208 CB ASN A 152 15.156 24.773 27.215 1.00 20.45 C ATOM 1209 CG ASN A 152 13.854 24.252 27.784 1.00 21.34 C ATOM 1210 OD1 ASN A 152 13.210 24.913 28.597 1.00 22.61 O ATOM 1211 ND2 ASN A 152 13.459 23.056 27.358 1.00 21.19 N ATOM 0 H ASN A 152 17.352 26.584 27.218 1.00 19.52 H new ATOM 0 HA ASN A 152 14.669 26.749 27.518 1.00 18.93 H new ATOM 0 HB2 ASN A 152 15.118 24.739 26.246 1.00 20.45 H new ATOM 0 HB3 ASN A 152 15.881 24.191 27.491 1.00 20.45 H new ATOM 0 HD21 ASN A 152 12.726 22.715 27.652 1.00 21.19 H new ATOM 0 HD22 ASN A 152 13.936 22.623 26.788 1.00 21.19 H new ATOM 1212 N PRO A 153 15.713 27.401 29.785 1.00 20.52 N ATOM 1213 CA PRO A 153 16.044 27.601 31.201 1.00 20.78 C ATOM 1214 C PRO A 153 15.345 26.705 32.224 1.00 19.53 C ATOM 1215 O PRO A 153 15.996 26.198 33.135 1.00 19.66 O ATOM 1216 CB PRO A 153 15.735 29.081 31.418 1.00 22.21 C ATOM 1217 CG PRO A 153 14.596 29.319 30.471 1.00 24.52 C ATOM 1218 CD PRO A 153 15.081 28.609 29.225 1.00 22.37 C ATOM 0 HA PRO A 153 16.966 27.344 31.361 1.00 20.78 H new ATOM 0 HB2 PRO A 153 15.485 29.267 32.337 1.00 22.21 H new ATOM 0 HB3 PRO A 153 16.499 29.643 31.213 1.00 22.21 H new ATOM 0 HG2 PRO A 153 13.763 28.947 30.802 1.00 24.52 H new ATOM 0 HG3 PRO A 153 14.443 30.264 30.316 1.00 24.52 H new ATOM 0 HD2 PRO A 153 14.351 28.391 28.624 1.00 22.37 H new ATOM 0 HD3 PRO A 153 15.711 29.148 28.722 1.00 22.37 H new ATOM 1219 N ASP A 154 14.035 26.508 32.078 1.00 16.97 N ATOM 1220 CA ASP A 154 13.280 25.683 33.023 1.00 16.59 C ATOM 1221 C ASP A 154 13.152 24.222 32.604 1.00 15.38 C ATOM 1222 O ASP A 154 12.299 23.498 33.115 1.00 13.36 O ATOM 1223 CB ASP A 154 11.877 26.264 33.239 1.00 19.31 C ATOM 1224 CG ASP A 154 11.030 26.253 31.973 1.00 22.02 C ATOM 1225 OD1 ASP A 154 9.818 26.533 32.069 1.00 25.15 O ATOM 1226 OD2 ASP A 154 11.568 25.971 30.883 1.00 23.66 O ATOM 0 H ASP A 154 13.565 26.842 31.440 1.00 16.97 H new ATOM 0 HA ASP A 154 13.791 25.699 33.847 1.00 16.59 H new ATOM 0 HB2 ASP A 154 11.424 25.756 33.930 1.00 19.31 H new ATOM 0 HB3 ASP A 154 11.955 27.175 33.562 1.00 19.31 H new ATOM 1227 N LYS A 155 14.009 23.787 31.686 1.00 14.36 N ATOM 1228 CA LYS A 155 13.980 22.412 31.191 1.00 15.24 C ATOM 1229 C LYS A 155 14.094 21.368 32.307 1.00 14.39 C ATOM 1230 O LYS A 155 13.427 20.335 32.265 1.00 13.83 O ATOM 1231 CB LYS A 155 15.115 22.220 30.172 1.00 15.24 C ATOM 1232 CG LYS A 155 15.224 20.841 29.504 1.00 17.00 C ATOM 1233 CD LYS A 155 16.446 20.826 28.569 1.00 17.79 C ATOM 1234 CE LYS A 155 16.665 19.488 27.860 1.00 18.63 C ATOM 1235 NZ LYS A 155 15.551 19.114 26.938 1.00 19.03 N ATOM 0 H LYS A 155 14.621 24.277 31.333 1.00 14.36 H new ATOM 0 HA LYS A 155 13.116 22.272 30.772 1.00 15.24 H new ATOM 0 HB2 LYS A 155 15.010 22.886 29.474 1.00 15.24 H new ATOM 0 HB3 LYS A 155 15.956 22.407 30.618 1.00 15.24 H new ATOM 0 HG2 LYS A 155 15.311 20.149 30.178 1.00 17.00 H new ATOM 0 HG3 LYS A 155 14.417 20.648 29.002 1.00 17.00 H new ATOM 0 HD2 LYS A 155 16.341 21.522 27.902 1.00 17.79 H new ATOM 0 HD3 LYS A 155 17.239 21.043 29.084 1.00 17.79 H new ATOM 0 HE2 LYS A 155 17.493 19.529 27.356 1.00 18.63 H new ATOM 0 HE3 LYS A 155 16.772 18.791 28.526 1.00 18.63 H new ATOM 0 HZ1 LYS A 155 15.848 18.531 26.334 1.00 19.03 H new ATOM 0 HZ2 LYS A 155 14.890 18.745 27.406 1.00 19.03 H new ATOM 0 HZ3 LYS A 155 15.251 19.842 26.524 1.00 19.03 H new ATOM 1236 N PHE A 156 14.916 21.655 33.313 1.00 13.54 N ATOM 1237 CA PHE A 156 15.153 20.720 34.413 1.00 12.97 C ATOM 1238 C PHE A 156 14.598 21.157 35.770 1.00 13.30 C ATOM 1239 O PHE A 156 14.952 20.584 36.803 1.00 11.42 O ATOM 1240 CB PHE A 156 16.659 20.488 34.553 1.00 14.54 C ATOM 1241 CG PHE A 156 17.327 20.014 33.288 1.00 16.01 C ATOM 1242 CD1 PHE A 156 18.546 20.554 32.891 1.00 15.99 C ATOM 1243 CD2 PHE A 156 16.763 18.998 32.519 1.00 16.44 C ATOM 1244 CE1 PHE A 156 19.197 20.091 31.749 1.00 17.00 C ATOM 1245 CE2 PHE A 156 17.406 18.525 31.375 1.00 17.70 C ATOM 1246 CZ PHE A 156 18.626 19.073 30.992 1.00 17.89 C ATOM 0 H PHE A 156 15.351 22.394 33.378 1.00 13.54 H new ATOM 0 HA PHE A 156 14.672 19.911 34.176 1.00 12.97 H new ATOM 0 HB2 PHE A 156 17.079 21.314 34.839 1.00 14.54 H new ATOM 0 HB3 PHE A 156 16.812 19.834 35.253 1.00 14.54 H new ATOM 0 HD1 PHE A 156 18.932 21.234 33.395 1.00 15.99 H new ATOM 0 HD2 PHE A 156 15.947 18.630 32.772 1.00 16.44 H new ATOM 0 HE1 PHE A 156 20.011 20.462 31.494 1.00 17.00 H new ATOM 0 HE2 PHE A 156 17.020 17.846 30.870 1.00 17.70 H new ATOM 0 HZ PHE A 156 19.059 18.759 30.231 1.00 17.89 H new ATOM 1247 N LYS A 157 13.733 22.164 35.766 1.00 12.66 N ATOM 1248 CA LYS A 157 13.154 22.692 36.997 1.00 12.37 C ATOM 1249 C LYS A 157 12.678 21.631 38.002 1.00 11.85 C ATOM 1250 O LYS A 157 13.225 21.521 39.099 1.00 11.27 O ATOM 1251 CB LYS A 157 11.997 23.641 36.660 1.00 12.78 C ATOM 1252 CG LYS A 157 11.457 24.400 37.862 1.00 13.97 C ATOM 1253 CD LYS A 157 10.519 25.516 37.435 1.00 16.78 C ATOM 1254 CE LYS A 157 9.997 26.279 38.638 1.00 18.64 C ATOM 1255 NZ LYS A 157 9.078 27.382 38.254 1.00 18.06 N ATOM 0 H LYS A 157 13.465 22.561 35.052 1.00 12.66 H new ATOM 0 HA LYS A 157 13.877 23.162 37.441 1.00 12.37 H new ATOM 0 HB2 LYS A 157 12.296 24.279 35.993 1.00 12.78 H new ATOM 0 HB3 LYS A 157 11.276 23.130 36.260 1.00 12.78 H new ATOM 0 HG2 LYS A 157 10.988 23.787 38.450 1.00 13.97 H new ATOM 0 HG3 LYS A 157 12.195 24.772 38.370 1.00 13.97 H new ATOM 0 HD2 LYS A 157 10.984 26.124 36.839 1.00 16.78 H new ATOM 0 HD3 LYS A 157 9.775 25.144 36.936 1.00 16.78 H new ATOM 0 HE2 LYS A 157 9.533 25.666 39.230 1.00 18.64 H new ATOM 0 HE3 LYS A 157 10.745 26.643 39.136 1.00 18.64 H new ATOM 0 HZ1 LYS A 157 9.462 28.165 38.433 1.00 18.06 H new ATOM 0 HZ2 LYS A 157 8.901 27.332 37.383 1.00 18.06 H new ATOM 0 HZ3 LYS A 157 8.320 27.311 38.715 1.00 18.06 H new ATOM 1256 N LYS A 158 11.666 20.854 37.631 1.00 12.00 N ATOM 1257 CA LYS A 158 11.140 19.834 38.531 1.00 11.82 C ATOM 1258 C LYS A 158 12.187 18.812 38.954 1.00 10.83 C ATOM 1259 O LYS A 158 12.220 18.384 40.109 1.00 8.97 O ATOM 1260 CB LYS A 158 9.953 19.117 37.881 1.00 16.40 C ATOM 1261 CG LYS A 158 8.711 19.996 37.754 1.00 20.04 C ATOM 1262 CD LYS A 158 7.546 19.253 37.115 1.00 22.12 C ATOM 1263 CE LYS A 158 7.814 18.940 35.648 1.00 24.32 C ATOM 1264 NZ LYS A 158 7.921 20.174 34.811 1.00 27.34 N ATOM 0 H LYS A 158 11.272 20.900 36.868 1.00 12.00 H new ATOM 0 HA LYS A 158 10.853 20.296 39.334 1.00 11.82 H new ATOM 0 HB2 LYS A 158 10.214 18.807 36.999 1.00 16.40 H new ATOM 0 HB3 LYS A 158 9.733 18.330 38.404 1.00 16.40 H new ATOM 0 HG2 LYS A 158 8.449 20.312 38.633 1.00 20.04 H new ATOM 0 HG3 LYS A 158 8.924 20.779 37.223 1.00 20.04 H new ATOM 0 HD2 LYS A 158 7.384 18.427 37.598 1.00 22.12 H new ATOM 0 HD3 LYS A 158 6.740 19.788 37.190 1.00 22.12 H new ATOM 0 HE2 LYS A 158 8.636 18.430 35.574 1.00 24.32 H new ATOM 0 HE3 LYS A 158 7.101 18.380 35.304 1.00 24.32 H new ATOM 0 HZ1 LYS A 158 7.579 20.017 34.005 1.00 27.34 H new ATOM 0 HZ2 LYS A 158 7.471 20.836 35.200 1.00 27.34 H new ATOM 0 HZ3 LYS A 158 8.777 20.405 34.730 1.00 27.34 H new ATOM 1265 N ASP A 159 13.049 18.425 38.022 1.00 9.83 N ATOM 1266 CA ASP A 159 14.081 17.446 38.322 1.00 9.41 C ATOM 1267 C ASP A 159 15.077 18.000 39.334 1.00 7.06 C ATOM 1268 O ASP A 159 15.576 17.271 40.197 1.00 6.35 O ATOM 1269 CB ASP A 159 14.797 17.035 37.041 1.00 12.16 C ATOM 1270 CG ASP A 159 13.839 16.522 35.985 1.00 16.48 C ATOM 1271 OD1 ASP A 159 13.370 17.335 35.160 1.00 19.51 O ATOM 1272 OD2 ASP A 159 13.542 15.309 35.994 1.00 16.39 O ATOM 0 H ASP A 159 13.053 18.717 37.213 1.00 9.83 H new ATOM 0 HA ASP A 159 13.660 16.664 38.712 1.00 9.41 H new ATOM 0 HB2 ASP A 159 15.287 17.795 36.689 1.00 12.16 H new ATOM 0 HB3 ASP A 159 15.449 16.347 37.244 1.00 12.16 H new ATOM 1273 N CYS A 160 15.371 19.291 39.229 1.00 5.45 N ATOM 1274 CA CYS A 160 16.295 19.903 40.170 1.00 5.96 C ATOM 1275 C CYS A 160 15.692 19.927 41.571 1.00 4.73 C ATOM 1276 O CYS A 160 16.360 19.572 42.540 1.00 5.13 O ATOM 1277 CB CYS A 160 16.667 21.319 39.715 1.00 5.26 C ATOM 1278 SG CYS A 160 17.692 21.325 38.225 1.00 9.27 S ATOM 0 H CYS A 160 15.052 19.821 38.631 1.00 5.45 H new ATOM 0 HA CYS A 160 17.105 19.370 40.196 1.00 5.96 H new ATOM 0 HB2 CYS A 160 15.856 21.825 39.548 1.00 5.26 H new ATOM 0 HB3 CYS A 160 17.140 21.771 40.431 1.00 5.26 H new ATOM 0 HG CYS A 160 17.014 21.059 37.271 1.00 9.27 H new ATOM 1279 N PHE A 161 14.435 20.347 41.691 1.00 5.50 N ATOM 1280 CA PHE A 161 13.805 20.363 43.009 1.00 6.37 C ATOM 1281 C PHE A 161 13.873 18.975 43.636 1.00 6.99 C ATOM 1282 O PHE A 161 14.193 18.834 44.819 1.00 7.83 O ATOM 1283 CB PHE A 161 12.337 20.797 42.922 1.00 8.50 C ATOM 1284 CG PHE A 161 12.149 22.277 42.741 1.00 10.31 C ATOM 1285 CD1 PHE A 161 12.867 23.184 43.514 1.00 11.28 C ATOM 1286 CD2 PHE A 161 11.226 22.766 41.822 1.00 11.40 C ATOM 1287 CE1 PHE A 161 12.667 24.558 43.377 1.00 11.10 C ATOM 1288 CE2 PHE A 161 11.018 24.136 41.678 1.00 12.00 C ATOM 1289 CZ PHE A 161 11.744 25.033 42.461 1.00 12.49 C ATOM 0 H PHE A 161 13.941 20.620 41.042 1.00 5.50 H new ATOM 0 HA PHE A 161 14.287 21.002 43.557 1.00 6.37 H new ATOM 0 HB2 PHE A 161 11.915 20.333 42.182 1.00 8.50 H new ATOM 0 HB3 PHE A 161 11.878 20.518 43.730 1.00 8.50 H new ATOM 0 HD1 PHE A 161 13.489 22.870 44.130 1.00 11.28 H new ATOM 0 HD2 PHE A 161 10.742 22.171 41.297 1.00 11.40 H new ATOM 0 HE1 PHE A 161 13.153 25.154 43.900 1.00 11.10 H new ATOM 0 HE2 PHE A 161 10.397 24.451 41.062 1.00 12.00 H new ATOM 0 HZ PHE A 161 11.608 25.948 42.368 1.00 12.49 H new ATOM 1290 N ARG A 162 13.578 17.948 42.842 1.00 6.61 N ATOM 1291 CA ARG A 162 13.597 16.579 43.346 1.00 7.32 C ATOM 1292 C ARG A 162 14.986 16.130 43.782 1.00 5.49 C ATOM 1293 O ARG A 162 15.152 15.586 44.873 1.00 5.85 O ATOM 1294 CB ARG A 162 13.061 15.605 42.292 1.00 7.34 C ATOM 1295 CG ARG A 162 12.922 14.181 42.809 1.00 8.12 C ATOM 1296 CD ARG A 162 12.443 13.229 41.724 1.00 10.64 C ATOM 1297 NE ARG A 162 13.396 13.133 40.625 1.00 12.45 N ATOM 1298 CZ ARG A 162 13.183 13.612 39.403 1.00 16.63 C ATOM 1299 NH1 ARG A 162 12.040 14.226 39.113 1.00 13.61 N ATOM 1300 NH2 ARG A 162 14.117 13.476 38.471 1.00 16.59 N ATOM 0 H ARG A 162 13.365 18.023 42.012 1.00 6.61 H new ATOM 0 HA ARG A 162 13.023 16.571 44.128 1.00 7.32 H new ATOM 0 HB2 ARG A 162 12.196 15.916 41.982 1.00 7.34 H new ATOM 0 HB3 ARG A 162 13.655 15.608 41.525 1.00 7.34 H new ATOM 0 HG2 ARG A 162 13.777 13.877 43.152 1.00 8.12 H new ATOM 0 HG3 ARG A 162 12.297 14.166 43.551 1.00 8.12 H new ATOM 0 HD2 ARG A 162 12.301 12.349 42.106 1.00 10.64 H new ATOM 0 HD3 ARG A 162 11.587 13.532 41.383 1.00 10.64 H new ATOM 0 HE ARG A 162 14.146 12.740 40.777 1.00 12.45 H new ATOM 0 HH11 ARG A 162 11.434 14.315 39.717 1.00 13.61 H new ATOM 0 HH12 ARG A 162 11.906 14.534 38.321 1.00 13.61 H new ATOM 0 HH21 ARG A 162 14.857 13.079 38.658 1.00 16.59 H new ATOM 0 HH22 ARG A 162 13.983 13.784 37.680 1.00 16.59 H new ATOM 1301 N ARG A 163 15.981 16.353 42.933 1.00 6.48 N ATOM 1302 CA ARG A 163 17.339 15.941 43.263 1.00 4.99 C ATOM 1303 C ARG A 163 17.817 16.556 44.578 1.00 5.15 C ATOM 1304 O ARG A 163 18.458 15.881 45.387 1.00 5.09 O ATOM 1305 CB ARG A 163 18.296 16.308 42.124 1.00 6.22 C ATOM 1306 CG ARG A 163 19.738 15.834 42.316 1.00 6.33 C ATOM 1307 CD ARG A 163 19.850 14.322 42.559 1.00 8.57 C ATOM 1308 NE ARG A 163 21.240 13.874 42.433 1.00 6.60 N ATOM 1309 CZ ARG A 163 21.711 12.720 42.896 1.00 7.16 C ATOM 1310 NH1 ARG A 163 20.910 11.869 43.535 1.00 8.19 N ATOM 1311 NH2 ARG A 163 22.989 12.412 42.717 1.00 6.90 N ATOM 0 H ARG A 163 15.893 16.737 42.169 1.00 6.48 H new ATOM 0 HA ARG A 163 17.334 14.978 43.377 1.00 4.99 H new ATOM 0 HB2 ARG A 163 17.953 15.933 41.298 1.00 6.22 H new ATOM 0 HB3 ARG A 163 18.298 17.272 42.019 1.00 6.22 H new ATOM 0 HG2 ARG A 163 20.257 16.069 41.531 1.00 6.33 H new ATOM 0 HG3 ARG A 163 20.130 16.306 43.067 1.00 6.33 H new ATOM 0 HD2 ARG A 163 19.516 14.107 43.444 1.00 8.57 H new ATOM 0 HD3 ARG A 163 19.294 13.846 41.923 1.00 8.57 H new ATOM 0 HE ARG A 163 21.792 14.396 42.030 1.00 6.60 H new ATOM 0 HH11 ARG A 163 20.080 12.064 43.651 1.00 8.19 H new ATOM 0 HH12 ARG A 163 21.222 11.125 43.831 1.00 8.19 H new ATOM 0 HH21 ARG A 163 23.509 12.958 42.303 1.00 6.90 H new ATOM 0 HH22 ARG A 163 23.297 11.667 43.015 1.00 6.90 H new ATOM 1312 N ALA A 164 17.493 17.828 44.806 1.00 5.58 N ATOM 1313 CA ALA A 164 17.909 18.501 46.031 1.00 6.86 C ATOM 1314 C ALA A 164 17.377 17.843 47.309 1.00 9.19 C ATOM 1315 O ALA A 164 18.021 17.913 48.356 1.00 10.12 O ATOM 1316 CB ALA A 164 17.494 19.978 45.984 1.00 7.95 C ATOM 0 H ALA A 164 17.035 18.316 44.266 1.00 5.58 H new ATOM 0 HA ALA A 164 18.875 18.425 46.070 1.00 6.86 H new ATOM 0 HB1 ALA A 164 17.774 20.419 46.801 1.00 7.95 H new ATOM 0 HB2 ALA A 164 17.916 20.409 45.224 1.00 7.95 H new ATOM 0 HB3 ALA A 164 16.530 20.041 45.897 1.00 7.95 H new ATOM 1317 N LYS A 165 16.213 17.202 47.219 1.00 9.96 N ATOM 1318 CA LYS A 165 15.590 16.532 48.370 1.00 11.80 C ATOM 1319 C LYS A 165 16.309 15.255 48.808 1.00 12.60 C ATOM 1320 O LYS A 165 16.170 14.806 49.949 1.00 12.64 O ATOM 1321 CB LYS A 165 14.140 16.162 48.043 1.00 13.12 C ATOM 1322 CG LYS A 165 13.255 17.331 47.685 1.00 13.75 C ATOM 1323 CD LYS A 165 11.817 16.885 47.489 1.00 19.65 C ATOM 1324 CE LYS A 165 10.938 18.064 47.107 1.00 20.58 C ATOM 1325 NZ LYS A 165 9.530 17.651 46.860 1.00 24.57 N ATOM 0 H LYS A 165 15.759 17.141 46.491 1.00 9.96 H new ATOM 0 HA LYS A 165 15.644 17.169 49.099 1.00 11.80 H new ATOM 0 HB2 LYS A 165 14.138 15.533 47.305 1.00 13.12 H new ATOM 0 HB3 LYS A 165 13.756 15.704 48.807 1.00 13.12 H new ATOM 0 HG2 LYS A 165 13.297 18.000 48.387 1.00 13.75 H new ATOM 0 HG3 LYS A 165 13.580 17.751 46.873 1.00 13.75 H new ATOM 0 HD2 LYS A 165 11.775 16.207 46.797 1.00 19.65 H new ATOM 0 HD3 LYS A 165 11.485 16.479 48.305 1.00 19.65 H new ATOM 0 HE2 LYS A 165 10.961 18.726 47.815 1.00 20.58 H new ATOM 0 HE3 LYS A 165 11.295 18.488 46.311 1.00 20.58 H new ATOM 0 HZ1 LYS A 165 9.046 18.364 46.639 1.00 24.57 H new ATOM 0 HZ2 LYS A 165 9.506 17.060 46.195 1.00 24.57 H new ATOM 0 HZ3 LYS A 165 9.195 17.282 47.597 1.00 24.57 H new ATOM 1326 N GLU A 166 17.075 14.682 47.889 1.00 11.81 N ATOM 1327 CA GLU A 166 17.803 13.437 48.111 1.00 13.01 C ATOM 1328 C GLU A 166 19.087 13.563 48.919 1.00 15.14 C ATOM 1329 O GLU A 166 19.838 12.595 49.052 1.00 14.88 O ATOM 1330 CB GLU A 166 18.107 12.811 46.753 1.00 9.58 C ATOM 1331 CG GLU A 166 16.868 12.299 46.056 1.00 10.46 C ATOM 1332 CD GLU A 166 17.055 12.128 44.560 1.00 9.35 C ATOM 1333 OE1 GLU A 166 18.196 11.906 44.119 1.00 9.69 O ATOM 1334 OE2 GLU A 166 16.048 12.200 43.834 1.00 8.97 O ATOM 0 H GLU A 166 17.189 15.011 47.103 1.00 11.81 H new ATOM 0 HA GLU A 166 17.225 12.878 48.654 1.00 13.01 H new ATOM 0 HB2 GLU A 166 18.543 13.468 46.188 1.00 9.58 H new ATOM 0 HB3 GLU A 166 18.733 12.079 46.871 1.00 9.58 H new ATOM 0 HG2 GLU A 166 16.614 11.447 46.444 1.00 10.46 H new ATOM 0 HG3 GLU A 166 16.135 12.914 46.217 1.00 10.46 H new ATOM 1335 N PHE A 167 19.325 14.752 49.460 1.00 15.21 N ATOM 1336 CA PHE A 167 20.522 15.029 50.248 1.00 19.44 C ATOM 1337 C PHE A 167 20.184 15.721 51.563 1.00 22.76 C ATOM 1338 O PHE A 167 20.702 15.275 52.611 1.00 26.20 O ATOM 1339 CB PHE A 167 21.480 15.904 49.441 1.00 17.51 C ATOM 1340 CG PHE A 167 22.086 15.202 48.266 1.00 14.96 C ATOM 1341 CD1 PHE A 167 23.141 14.315 48.444 1.00 14.12 C ATOM 1342 CD2 PHE A 167 21.587 15.403 46.984 1.00 15.00 C ATOM 1343 CE1 PHE A 167 23.691 13.633 47.363 1.00 13.77 C ATOM 1344 CE2 PHE A 167 22.129 14.725 45.894 1.00 12.43 C ATOM 1345 CZ PHE A 167 23.184 13.839 46.083 1.00 13.86 C ATOM 0 H PHE A 167 18.795 15.425 49.381 1.00 15.21 H new ATOM 0 HA PHE A 167 20.943 14.180 50.456 1.00 19.44 H new ATOM 0 HB2 PHE A 167 21.004 16.689 49.129 1.00 17.51 H new ATOM 0 HB3 PHE A 167 22.190 16.216 50.024 1.00 17.51 H new ATOM 0 HD1 PHE A 167 23.484 14.175 49.297 1.00 14.12 H new ATOM 0 HD2 PHE A 167 20.883 15.997 46.852 1.00 15.00 H new ATOM 0 HE1 PHE A 167 24.396 13.041 47.495 1.00 13.77 H new ATOM 0 HE2 PHE A 167 21.786 14.865 45.041 1.00 12.43 H new ATOM 0 HZ PHE A 167 23.549 13.386 45.357 1.00 13.86 H new TER 1346 PHE A 167 HETATM 1347 O HOH A 168 17.269 30.174 46.987 1.00 5.55 O HETATM 1348 O HOH A 169 31.335 20.840 48.817 1.00 6.42 O HETATM 1349 O HOH A 170 33.342 26.238 41.723 1.00 12.42 O HETATM 1350 O HOH A 171 33.385 37.813 44.437 1.00 10.56 O HETATM 1351 O HOH A 172 29.972 22.872 46.716 1.00 10.08 O HETATM 1352 O HOH A 173 25.111 12.821 40.586 1.00 14.93 O HETATM 1353 O HOH A 174 11.714 33.115 35.047 1.00 11.78 O HETATM 1354 O HOH A 175 31.734 22.573 20.290 1.00 10.20 O HETATM 1355 O HOH A 176 33.611 13.520 46.371 1.00 11.46 O HETATM 1356 O HOH A 177 16.870 36.160 50.732 1.00 13.34 O HETATM 1357 O HOH A 178 47.909 40.802 42.042 1.00 8.54 O HETATM 1358 O HOH A 179 33.037 43.668 40.126 1.00 15.52 O HETATM 1359 O HOH A 180 29.932 27.659 41.821 1.00 14.16 O HETATM 1360 O HOH A 181 16.831 23.770 33.511 1.00 13.20 O HETATM 1361 O HOH A 182 38.500 33.161 26.591 1.00 16.28 O HETATM 1362 O HOH A 183 14.957 39.792 45.045 1.00 16.53 O HETATM 1363 O HOH A 184 35.756 19.568 43.260 1.00 14.05 O HETATM 1364 O HOH A 185 35.557 19.726 49.954 1.00 12.66 O HETATM 1365 O HOH A 186 34.606 28.681 48.644 1.00 16.15 O HETATM 1366 O HOH A 187 17.853 17.464 53.447 1.00 15.12 O HETATM 1367 O HOH A 188 25.165 11.931 35.584 1.00 12.12 O HETATM 1368 O HOH A 189 14.001 20.709 46.664 1.00 15.47 O HETATM 1369 O HOH A 190 30.995 25.977 43.783 1.00 16.09 O HETATM 1370 O HOH A 191 17.158 39.170 38.450 1.00 17.51 O HETATM 1371 O HOH A 192 46.648 32.190 50.947 1.00 20.45 O HETATM 1372 O HOH A 193 26.851 19.620 27.760 1.00 20.54 O HETATM 1373 O HOH A 194 35.212 42.281 36.014 1.00 19.80 O HETATM 1374 O HOH A 195 33.231 39.976 27.590 1.00 24.43 O HETATM 1375 O HOH A 196 31.731 20.868 24.112 1.00 16.54 O HETATM 1376 O HOH A 197 36.476 26.804 49.948 1.00 30.50 O HETATM 1377 O HOH A 198 29.302 20.467 26.843 1.00 16.00 O HETATM 1378 O HOH A 199 33.501 12.450 43.755 1.00 17.76 O HETATM 1379 O HOH A 200 23.969 35.550 31.572 1.00 13.24 O HETATM 1380 O HOH A 201 40.499 22.432 27.939 1.00 18.20 O HETATM 1381 O HOH A 202 35.989 43.857 29.658 1.00 25.89 O HETATM 1382 O HOH A 203 39.283 32.154 52.686 1.00 18.10 O HETATM 1383 O HOH A 204 10.016 28.562 45.792 1.00 34.63 O HETATM 1384 O HOH A 205 30.165 11.591 36.254 1.00 22.80 O HETATM 1385 O HOH A 206 19.279 22.698 29.026 1.00 17.77 O HETATM 1386 O HOH A 207 32.009 27.017 47.043 1.00 30.36 O HETATM 1387 O HOH A 208 13.159 23.541 47.059 1.00 23.46 O HETATM 1388 O HOH A 209 33.223 42.487 28.571 1.00 25.21 O HETATM 1389 O HOH A 210 27.590 14.666 49.004 1.00 26.17 O HETATM 1390 O HOH A 211 16.496 23.601 36.273 1.00 20.49 O HETATM 1391 O HOH A 212 22.691 17.566 26.058 1.00 21.15 O HETATM 1392 O HOH A 213 39.739 20.068 29.916 1.00 22.73 O HETATM 1393 O HOH A 214 49.212 33.844 53.600 1.00 27.81 O HETATM 1394 O HOH A 215 18.722 16.598 28.225 1.00 38.38 O HETATM 1395 O HOH A 216 15.199 35.634 48.745 1.00 28.23 O HETATM 1396 O HOH A 217 18.124 23.967 31.249 1.00 31.76 O HETATM 1397 O HOH A 218 45.420 24.885 42.180 1.00 28.07 O HETATM 1398 O HOH A 219 44.225 32.810 52.367 1.00 26.28 O HETATM 1399 O HOH A 220 23.010 21.909 54.802 1.00 16.83 O HETATM 1400 O HOH A 221 13.264 18.163 27.952 1.00 27.79 O HETATM 1401 O HOH A 222 48.254 34.253 45.536 1.00 17.27 O HETATM 1402 O HOH A 223 9.699 15.239 40.089 1.00 20.17 O HETATM 1403 O HOH A 224 43.140 43.951 50.503 1.00 24.04 O HETATM 1404 O HOH A 225 30.390 34.486 21.574 1.00 32.99 O HETATM 1405 O HOH A 226 27.487 11.961 37.877 1.00 29.20 O HETATM 1406 O HOH A 227 16.200 15.505 31.187 1.00 28.89 O HETATM 1407 O HOH A 228 38.429 18.093 33.479 1.00 31.74 O HETATM 1408 O HOH A 229 51.569 37.624 37.879 1.00 35.01 O HETATM 1409 O HOH A 230 27.420 16.995 29.391 1.00 19.23 O HETATM 1410 O HOH A 231 39.057 18.099 48.217 1.00 24.82 O HETATM 1411 O HOH A 232 9.446 28.757 35.431 1.00 25.80 O HETATM 1412 O HOH A 233 30.993 18.202 27.298 1.00 27.05 O HETATM 1413 O HOH A 234 43.719 27.759 39.117 1.00 23.80 O HETATM 1414 O HOH A 235 19.983 18.572 26.898 1.00 34.20 O HETATM 1415 O HOH A 236 42.426 22.105 35.331 1.00 39.43 O HETATM 1416 O HOH A 237 26.175 20.000 23.024 1.00 43.44 O HETATM 1417 O HOH A 238 11.720 13.609 35.005 1.00 40.03 O HETATM 1418 O HOH A 239 8.897 33.516 43.839 1.00 36.45 O HETATM 1419 O HOH A 240 39.508 15.224 49.493 1.00 16.30 O HETATM 1420 O HOH A 241 35.837 24.098 49.985 1.00 35.40 O HETATM 1421 O HOH A 242 39.858 25.085 28.424 1.00 16.35 O HETATM 1422 O HOH A 243 36.626 44.032 27.203 1.00 26.61 O HETATM 1423 O HOH A 244 10.836 21.572 48.744 1.00 40.11 O HETATM 1424 O HOH A 245 10.297 20.950 46.120 1.00 34.49 O HETATM 1425 O HOH A 246 17.958 23.136 26.458 1.00 25.73 O HETATM 1426 O HOH A 247 10.856 25.254 28.439 1.00 12.15 O HETATM 1427 O HOH A 248 35.619 13.763 50.948 1.00 11.21 O HETATM 1428 O HOH A 249 46.492 30.298 48.922 1.00 27.32 O HETATM 1429 O HOH A 250 33.659 40.953 50.831 1.00 23.38 O HETATM 1430 O HOH A 251 39.110 20.334 49.996 1.00 27.86 O HETATM 1431 O HOH A 252 17.179 18.235 51.031 1.00 31.77 O HETATM 1432 O HOH A 253 15.836 38.902 48.345 1.00 20.57 O HETATM 1433 O HOH A 254 26.927 40.910 28.998 1.00 29.09 O HETATM 1434 O HOH A 255 37.311 42.179 24.832 1.00 29.75 O HETATM 1435 O HOH A 256 14.352 31.376 53.056 1.00 30.86 O HETATM 1436 O HOH A 257 41.352 28.119 36.040 1.00 27.80 O HETATM 1437 O HOH A 258 31.982 31.735 48.551 1.00 33.70 O HETATM 1438 O HOH A 259 37.912 34.603 52.106 1.00 33.94 O HETATM 1439 O HOH A 260 25.229 33.291 24.884 1.00 25.20 O HETATM 1440 O HOH A 261 23.032 14.000 52.473 1.00 28.02 O HETATM 1441 O HOH A 262 10.646 20.947 34.532 1.00 30.21 O HETATM 1442 O HOH A 263 9.807 18.095 41.702 1.00 25.94 O HETATM 1443 O HOH A 264 22.467 38.647 30.321 1.00 37.49 O HETATM 1444 O HOH A 265 29.986 13.902 31.657 1.00 38.72 O HETATM 1445 O HOH A 266 38.238 41.540 27.783 1.00 32.41 O HETATM 1446 O HOH A 267 26.817 27.458 51.073 1.00 30.25 O HETATM 1447 O HOH A 268 30.412 13.452 48.522 1.00 36.61 O HETATM 1448 O HOH A 269 11.134 21.833 28.126 1.00 38.18 O HETATM 1449 O HOH A 270 38.807 45.225 30.427 1.00 38.89 O HETATM 1450 O HOH A 271 53.178 36.132 49.282 1.00 47.69 O HETATM 1451 O HOH A 272 24.992 11.167 31.134 1.00 22.05 O HETATM 1452 O HOH A 273 8.246 32.820 40.598 1.00 27.05 O HETATM 1453 O HOH A 274 10.660 18.941 50.641 1.00 40.47 O HETATM 1454 O HOH A 275 33.563 14.493 31.737 1.00 45.89 O HETATM 1455 O HOH A 276 19.365 31.991 21.001 1.00 39.77 O HETATM 1456 O HOH A 277 14.754 11.986 35.343 1.00 39.56 O HETATM 1457 O HOH A 278 16.353 19.717 53.458 1.00 36.44 O HETATM 1458 O HOH A 279 24.464 10.608 38.493 1.00 31.34 O HETATM 1459 O HOH A 280 34.897 48.994 30.799 1.00 38.37 O HETATM 1460 O HOH A 281 26.742 12.213 48.764 1.00 31.27 O HETATM 1461 O HOH A 282 29.725 31.621 21.227 1.00 27.86 O HETATM 1462 O HOH A 283 36.995 18.191 51.692 1.00 32.56 O HETATM 1463 O HOH A 284 22.257 24.213 52.714 1.00 18.43 O HETATM 1464 O HOH A 285 13.206 24.525 49.527 1.00 28.73 O CONECT 525 531 CONECT 531 525 532 CONECT 532 531 533 535 CONECT 533 532 534 539 CONECT 534 533 CONECT 535 532 536 CONECT 536 535 537 CONECT 537 536 538 CONECT 538 537 CONECT 539 533 CONECT 873 876 CONECT 876 873 877 CONECT 877 876 878 880 CONECT 878 877 879 884 CONECT 879 878 CONECT 880 877 881 CONECT 881 880 882 CONECT 882 881 883 CONECT 883 882 CONECT 884 878 CONECT 1153 1156 CONECT 1156 1153 1157 CONECT 1157 1156 1158 1160 CONECT 1158 1157 1159 1164 CONECT 1159 1158 CONECT 1160 1157 1161 CONECT 1161 1160 1162 CONECT 1162 1161 1163 CONECT 1163 1162 CONECT 1164 1158 END