USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE(O-GLYCOSYL) 27-MAR-92 1LHL TITLE ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME STABILITY: A TITLE 2 SCANNING CALORIMETRIC STUDY COMBINED WITH X-RAY STRUCTURE TITLE 3 ANALYSIS OF PROLINE MUTANTS COMPND MOL_ID: 1; COMPND 2 MOLECULE: HUMAN LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS HYDROLASE(O-GLYCOSYL) EXPDTA X-RAY DIFFRACTION AUTHOR K.INAKA,M.MATSUSHIMA,T.HERNING,R.KUROKI,K.YUTANI,M.KIKUCHI REVDAT 2 24-FEB-09 1LHL 1 VERSN REVDAT 1 31-JAN-94 1LHL 0 JRNL AUTH T.HERNING,K.YUTANI,K.INAKA,R.KUROKI,M.MATSUSHIMA, JRNL AUTH 2 M.KIKUCHI JRNL TITL ROLE OF PROLINE RESIDUES IN HUMAN LYSOZYME JRNL TITL 2 STABILITY: A SCANNING CALORIMETRIC STUDY COMBINED JRNL TITL 3 WITH X-RAY STRUCTURE ANALYSIS OF PROLINE MUTANTS. JRNL REF BIOCHEMISTRY V. 31 7077 1992 JRNL REFN ISSN 0006-2960 JRNL PMID 1643041 JRNL DOI 10.1021/BI00146A008 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH K.INAKA,R.KUROKI,M.KIKUCHI,M.MATSUSHIMA REMARK 1 TITL CRYSTAL STRUCTURES OF THE APO-AND HOLOMUTANT HUMAN REMARK 1 TITL 2 LYSOZYMES WITH AN INTRODUCED CA BINDING SITE REMARK 1 REF J.BIOL.CHEM. V. 31 20666 1991 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 2 REMARK 1 AUTH T.HERNING,K.YUTANI,Y.TANIYAMA,M.KIKUCHI REMARK 1 TITL EFFECTS OF PROLINE MUTATIONS ON THE UNFOLDING AND REMARK 1 TITL 2 REFOLDING OF HUMAN LYSOZYME: THE SLOW REFOLDING REMARK 1 TITL 3 KINETIC PHASE DOES NOT RESULT FROM PROLINE REMARK 1 TITL 4 CIS-TRANS ISOMERIZATION REMARK 1 REF BIOCHEMISTRY V. 30 9882 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 10426 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : 0.154 REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1031 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 115 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.013 ; NULL REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : NULL ; NULL REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL REMARK 3 REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL REMARK 3 PLANAR (DEGREES) : NULL ; NULL REMARK 3 STAGGERED (DEGREES) : NULL ; NULL REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL 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 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1LHL COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.92 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.98 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL 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 28.27500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.94500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.50000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.94500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.27500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.50000 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 162 O HOH A 218 2554 2.07 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -4.9 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG A 50 CD - NE - CZ ANGL. DEV. = 15.1 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG A 50 NE - CZ - NH2 ANGL. DEV. = -3.9 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES REMARK 500 ARG A 98 NE - CZ - NH1 ANGL. DEV. = -4.6 DEGREES REMARK 500 ARG A 98 NE - CZ - NH2 ANGL. DEV. = 6.2 DEGREES REMARK 500 ARG A 101 NE - CZ - NH1 ANGL. DEV. = 5.2 DEGREES REMARK 500 ARG A 101 NE - CZ - NH2 ANGL. DEV. = -4.3 DEGREES REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES REMARK 500 ASP A 120 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 132 DISTANCE = 5.67 ANGSTROMS DBREF 1LHL A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1LHL PRO A 47 UNP P61626 ALA 65 CONFLICT SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN PRO GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL FORMUL 2 HOH *115(H2 O) HELIX 1 A ARG A 5 ARG A 14 1 10 HELIX 2 B LEU A 25 GLU A 35 1 11 HELIX 3 E SER A 80 LEU A 85 5 6 HELIX 4 C ALA A 90 VAL A 99 1 10 HELIX 5 D VAL A 110 CYS A 116 1 7 SHEET 1 A 2 LYS A 1 PHE A 3 0 SHEET 2 A 2 TYR A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 B 3 ALA A 42 ASN A 46 0 SHEET 2 B 3 SER A 51 GLY A 55 -1 N GLY A 55 O ALA A 42 SHEET 3 B 3 ILE A 59 SER A 61 -1 N SER A 61 O THR A 52 SSBOND *** CYS A 6 CYS A 128 1555 1555 2.04 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.04 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.04 SSBOND *** CYS A 77 CYS A 95 1555 1555 2.02 CRYST1 56.550 61.000 33.890 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 0.017683 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016393 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029507 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 61 SER OG : rot 125:sc= 1.35 USER MOD Set 1.2: A 70 THR OG1 : rot 81:sc= 2.48 USER MOD Set 2.1: A 44 ASN : amide:sc= 0.0163 X(o=4.8,f=4.8) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.0967 X(o=4.8,f=4.8) USER MOD Set 2.3: A 51 SER OG : rot -59:sc= 1.65 USER MOD Set 2.4: A 60 ASN : amide:sc= 3.2 K(o=4.8,f=-2.4!) USER MOD Set 3.1: A 29 MET CE :methyl -168:sc= -0.227 (180deg=-0.482) USER MOD Set 3.2: A 38 TYR OH : rot 180:sc= 0.915 USER MOD Set 4.1: A 24 SER OG : rot 159:sc= 0.478 USER MOD Set 4.2: A 27 ASN : amide:sc= 1.57 K(o=2.1,f=-0.52!) USER MOD Set 5.1: A 1 LYS N :NH3+ 174:sc= 2.85 (180deg=1.71) USER MOD Set 5.2: A 40 THR OG1 : rot 103:sc= 1.51 USER MOD Single : A 1 LYS NZ :NH3+ 138:sc= 0.957 (180deg=0.515) USER MOD Single : A 11 THR OG1 : rot 75:sc= 1.05 USER MOD Single : A 13 LYS NZ :NH3+ 155:sc=-0.00138 (180deg=-0.579) USER MOD Single : A 17 MET CE :methyl 161:sc= -0.0254 (180deg=-0.723) USER MOD Single : A 20 TYR OH : rot 30:sc= 0.333 USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 1.52 (180deg=1.42) USER MOD Single : A 36 SER OG : rot -106:sc= 0.927 USER MOD Single : A 39 ASN : amide:sc= 1.55 K(o=1.5,f=-3.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0.708 USER MOD Single : A 52 THR OG1 : rot 88:sc= 1.86 USER MOD Single : A 54 TYR OH : rot -177:sc= 2.29 USER MOD Single : A 58 GLN : amide:sc= 1.36 X(o=1.4,f=1.1) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.19 K(o=1.2,f=-1) USER MOD Single : A 69 LYS NZ :NH3+ 138:sc= 1.28 (180deg=0.78) USER MOD Single : A 75 ASN : amide:sc= 0.212 K(o=0.21,f=-6.3!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0.087 USER MOD Single : A 82 SER OG : rot -92:sc= 0.569 USER MOD Single : A 86 GLN : amide:sc= 2.34 K(o=2.3,f=1.2) USER MOD Single : A 88 ASN : amide:sc= 0.718 K(o=0.72,f=-4!) USER MOD Single : A 97 LYS NZ :NH3+ -164:sc= 2.32 (180deg=1.96) USER MOD Single : A 104 GLN : amide:sc= 0.445 X(o=0.44,f=0.0063) USER MOD Single : A 114 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.0145 F(o=-2.3!,f=-0.014) USER MOD Single : A 118 ASN :FLIP amide:sc= -0.127 F(o=-0.75,f=-0.13) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 TYR OH : rot -141:sc= 1.93 USER MOD Single : A 126 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.936 19.599 23.089 1.00 10.54 N ATOM 2 CA LYS A 1 1.408 20.471 21.993 1.00 11.83 C ATOM 3 C LYS A 1 2.638 19.850 21.343 1.00 11.76 C ATOM 4 O LYS A 1 3.451 19.171 22.047 1.00 12.15 O ATOM 5 CB LYS A 1 1.695 21.811 22.636 1.00 13.06 C ATOM 6 CG LYS A 1 2.964 22.527 22.295 1.00 15.77 C ATOM 7 CD LYS A 1 3.033 23.941 22.885 1.00 17.39 C ATOM 8 CE LYS A 1 3.967 24.785 22.014 1.00 19.07 C ATOM 9 NZ LYS A 1 4.344 25.975 22.815 1.00 23.84 N ATOM 0 H1 LYS A 1 0.272 20.002 23.524 1.00 10.54 H new ATOM 0 H2 LYS A 1 0.644 18.829 22.751 1.00 10.54 H new ATOM 0 H3 LYS A 1 1.607 19.440 23.652 1.00 10.54 H new ATOM 0 HA LYS A 1 0.757 20.579 21.282 1.00 11.83 H new ATOM 0 HB2 LYS A 1 0.958 22.403 22.418 1.00 13.06 H new ATOM 0 HB3 LYS A 1 1.681 21.683 23.597 1.00 13.06 H new ATOM 0 HG2 LYS A 1 3.718 22.010 22.619 1.00 15.77 H new ATOM 0 HG3 LYS A 1 3.050 22.580 21.330 1.00 15.77 H new ATOM 0 HD2 LYS A 1 2.148 24.338 22.914 1.00 17.39 H new ATOM 0 HD3 LYS A 1 3.360 23.910 23.798 1.00 17.39 H new ATOM 0 HE2 LYS A 1 4.754 24.277 21.762 1.00 19.07 H new ATOM 0 HE3 LYS A 1 3.525 25.050 21.192 1.00 19.07 H new ATOM 0 HZ1 LYS A 1 5.211 26.143 22.708 1.00 23.84 H new ATOM 0 HZ2 LYS A 1 3.870 26.678 22.544 1.00 23.84 H new ATOM 0 HZ3 LYS A 1 4.177 25.819 23.675 1.00 23.84 H new ATOM 10 N VAL A 2 2.789 20.094 20.049 1.00 10.19 N ATOM 11 CA VAL A 2 3.992 19.588 19.337 1.00 10.02 C ATOM 12 C VAL A 2 4.852 20.816 19.075 1.00 9.65 C ATOM 13 O VAL A 2 4.452 21.647 18.245 1.00 9.43 O ATOM 14 CB VAL A 2 3.640 18.789 18.066 1.00 10.72 C ATOM 15 CG1 VAL A 2 4.837 18.385 17.236 1.00 10.76 C ATOM 16 CG2 VAL A 2 2.828 17.545 18.403 1.00 9.61 C ATOM 0 H VAL A 2 2.233 20.536 19.563 1.00 10.19 H new ATOM 0 HA VAL A 2 4.479 18.940 19.870 1.00 10.02 H new ATOM 0 HB VAL A 2 3.113 19.401 17.529 1.00 10.72 H new ATOM 0 HG11 VAL A 2 4.539 17.889 16.458 1.00 10.76 H new ATOM 0 HG12 VAL A 2 5.315 19.179 16.949 1.00 10.76 H new ATOM 0 HG13 VAL A 2 5.426 17.828 17.768 1.00 10.76 H new ATOM 0 HG21 VAL A 2 2.621 17.063 17.587 1.00 9.61 H new ATOM 0 HG22 VAL A 2 3.342 16.973 18.995 1.00 9.61 H new ATOM 0 HG23 VAL A 2 2.003 17.806 18.842 1.00 9.61 H new ATOM 17 N PHE A 3 5.974 20.936 19.776 1.00 9.17 N ATOM 18 CA PHE A 3 6.825 22.128 19.526 1.00 10.10 C ATOM 19 C PHE A 3 7.561 22.034 18.171 1.00 10.32 C ATOM 20 O PHE A 3 7.825 20.943 17.676 1.00 9.90 O ATOM 21 CB PHE A 3 7.946 22.232 20.590 1.00 9.84 C ATOM 22 CG PHE A 3 7.574 22.881 21.876 1.00 9.55 C ATOM 23 CD1 PHE A 3 7.884 24.228 22.078 1.00 8.85 C ATOM 24 CD2 PHE A 3 6.922 22.155 22.874 1.00 11.13 C ATOM 25 CE1 PHE A 3 7.554 24.845 23.266 1.00 10.23 C ATOM 26 CE2 PHE A 3 6.560 22.788 24.077 1.00 13.17 C ATOM 27 CZ PHE A 3 6.892 24.155 24.284 1.00 10.97 C ATOM 0 H PHE A 3 6.260 20.383 20.369 1.00 9.17 H new ATOM 0 HA PHE A 3 6.225 22.890 19.547 1.00 10.10 H new ATOM 0 HB2 PHE A 3 8.268 21.337 20.782 1.00 9.84 H new ATOM 0 HB3 PHE A 3 8.688 22.723 20.204 1.00 9.84 H new ATOM 0 HD1 PHE A 3 8.314 24.710 21.409 1.00 8.85 H new ATOM 0 HD2 PHE A 3 6.727 21.255 22.744 1.00 11.13 H new ATOM 0 HE1 PHE A 3 7.777 25.739 23.392 1.00 10.23 H new ATOM 0 HE2 PHE A 3 6.105 22.314 24.735 1.00 13.17 H new ATOM 0 HZ PHE A 3 6.673 24.581 25.081 1.00 10.97 H new ATOM 28 N GLU A 4 7.907 23.218 17.651 1.00 10.61 N ATOM 29 CA GLU A 4 8.733 23.286 16.467 1.00 12.60 C ATOM 30 C GLU A 4 10.166 23.302 17.067 1.00 11.20 C ATOM 31 O GLU A 4 10.286 23.781 18.215 1.00 12.16 O ATOM 32 CB GLU A 4 8.669 24.544 15.643 1.00 17.56 C ATOM 33 CG GLU A 4 7.377 25.264 15.447 1.00 27.33 C ATOM 34 CD GLU A 4 6.709 24.894 14.148 1.00 32.26 C ATOM 35 OE1 GLU A 4 6.304 25.737 13.363 1.00 35.54 O ATOM 36 OE2 GLU A 4 6.697 23.645 14.060 1.00 35.36 O ATOM 0 H GLU A 4 7.671 23.980 17.973 1.00 10.61 H new ATOM 0 HA GLU A 4 8.456 22.568 15.876 1.00 12.60 H new ATOM 0 HB2 GLU A 4 9.290 25.176 16.038 1.00 17.56 H new ATOM 0 HB3 GLU A 4 9.010 24.325 14.762 1.00 17.56 H new ATOM 0 HG2 GLU A 4 6.781 25.061 16.185 1.00 27.33 H new ATOM 0 HG3 GLU A 4 7.536 26.221 15.466 1.00 27.33 H new ATOM 37 N ARG A 5 11.125 22.816 16.335 1.00 10.21 N ATOM 38 CA ARG A 5 12.510 22.765 16.826 1.00 9.43 C ATOM 39 C ARG A 5 13.037 24.056 17.444 1.00 9.38 C ATOM 40 O ARG A 5 13.377 24.068 18.653 1.00 8.37 O ATOM 41 CB ARG A 5 13.463 22.335 15.710 1.00 11.42 C ATOM 42 CG ARG A 5 14.906 22.103 16.187 1.00 11.94 C ATOM 43 CD ARG A 5 15.706 21.565 15.032 1.00 12.80 C ATOM 44 NE ARG A 5 15.782 22.521 13.930 1.00 13.77 N ATOM 45 CZ ARG A 5 16.770 23.409 13.733 1.00 14.92 C ATOM 46 NH1 ARG A 5 16.775 24.165 12.624 1.00 14.23 N ATOM 47 NH2 ARG A 5 17.755 23.580 14.627 1.00 13.87 N ATOM 0 H ARG A 5 11.015 22.503 15.542 1.00 10.21 H new ATOM 0 HA ARG A 5 12.481 22.112 17.543 1.00 9.43 H new ATOM 0 HB2 ARG A 5 13.129 21.519 15.306 1.00 11.42 H new ATOM 0 HB3 ARG A 5 13.465 23.014 15.017 1.00 11.42 H new ATOM 0 HG2 ARG A 5 15.293 22.932 16.508 1.00 11.94 H new ATOM 0 HG3 ARG A 5 14.920 21.477 16.928 1.00 11.94 H new ATOM 0 HD2 ARG A 5 16.602 21.347 15.333 1.00 12.80 H new ATOM 0 HD3 ARG A 5 15.304 20.740 14.717 1.00 12.80 H new ATOM 0 HE ARG A 5 15.139 22.515 13.359 1.00 13.77 H new ATOM 0 HH11 ARG A 5 16.147 24.080 12.043 1.00 14.23 H new ATOM 0 HH12 ARG A 5 17.406 24.735 12.495 1.00 14.23 H new ATOM 0 HH21 ARG A 5 17.765 23.114 15.350 1.00 13.87 H new ATOM 0 HH22 ARG A 5 18.376 24.155 14.477 1.00 13.87 H new ATOM 48 N CYS A 6 13.130 25.141 16.677 1.00 8.92 N ATOM 49 CA CYS A 6 13.685 26.389 17.272 1.00 9.01 C ATOM 50 C CYS A 6 12.835 26.985 18.375 1.00 10.47 C ATOM 51 O CYS A 6 13.417 27.590 19.334 1.00 10.56 O ATOM 52 CB CYS A 6 14.104 27.354 16.180 1.00 10.42 C ATOM 53 SG CYS A 6 15.449 26.652 15.154 1.00 10.54 S ATOM 0 H CYS A 6 12.895 25.191 15.851 1.00 8.92 H new ATOM 0 HA CYS A 6 14.493 26.153 17.753 1.00 9.01 H new ATOM 0 HB2 CYS A 6 13.341 27.562 15.619 1.00 10.42 H new ATOM 0 HB3 CYS A 6 14.399 28.188 16.578 1.00 10.42 H new ATOM 54 N GLU A 7 11.512 26.856 18.278 1.00 9.73 N ATOM 55 CA GLU A 7 10.639 27.358 19.365 1.00 9.42 C ATOM 56 C GLU A 7 11.002 26.667 20.674 1.00 8.44 C ATOM 57 O GLU A 7 11.104 27.289 21.758 1.00 7.70 O ATOM 58 CB GLU A 7 9.191 27.038 19.058 1.00 12.95 C ATOM 59 CG GLU A 7 8.059 27.553 19.947 1.00 16.45 C ATOM 60 CD GLU A 7 6.754 26.822 19.691 1.00 18.22 C ATOM 61 OE1 GLU A 7 6.568 25.881 18.914 1.00 17.58 O ATOM 62 OE2 GLU A 7 5.881 27.289 20.450 1.00 20.41 O ATOM 0 H GLU A 7 11.101 26.493 17.615 1.00 9.73 H new ATOM 0 HA GLU A 7 10.762 28.317 19.439 1.00 9.42 H new ATOM 0 HB2 GLU A 7 9.014 27.360 18.160 1.00 12.95 H new ATOM 0 HB3 GLU A 7 9.114 26.071 19.033 1.00 12.95 H new ATOM 0 HG2 GLU A 7 8.309 27.450 20.879 1.00 16.45 H new ATOM 0 HG3 GLU A 7 7.933 28.502 19.791 1.00 16.45 H new ATOM 63 N LEU A 8 11.238 25.341 20.583 1.00 7.21 N ATOM 64 CA LEU A 8 11.611 24.638 21.851 1.00 7.05 C ATOM 65 C LEU A 8 12.983 25.074 22.391 1.00 6.39 C ATOM 66 O LEU A 8 13.143 25.170 23.607 1.00 7.06 O ATOM 67 CB LEU A 8 11.520 23.119 21.630 1.00 7.06 C ATOM 68 CG LEU A 8 11.950 22.285 22.853 1.00 6.63 C ATOM 69 CD1 LEU A 8 10.928 22.443 23.971 1.00 5.68 C ATOM 70 CD2 LEU A 8 12.090 20.814 22.449 1.00 7.75 C ATOM 0 H LEU A 8 11.196 24.861 19.871 1.00 7.21 H new ATOM 0 HA LEU A 8 10.980 24.892 22.542 1.00 7.05 H new ATOM 0 HB2 LEU A 8 10.607 22.889 21.397 1.00 7.06 H new ATOM 0 HB3 LEU A 8 12.076 22.877 20.873 1.00 7.06 H new ATOM 0 HG LEU A 8 12.809 22.600 23.176 1.00 6.63 H new ATOM 0 HD11 LEU A 8 11.203 21.917 24.738 1.00 5.68 H new ATOM 0 HD12 LEU A 8 10.868 23.377 24.225 1.00 5.68 H new ATOM 0 HD13 LEU A 8 10.061 22.136 23.663 1.00 5.68 H new ATOM 0 HD21 LEU A 8 12.361 20.291 23.220 1.00 7.75 H new ATOM 0 HD22 LEU A 8 11.239 20.486 22.119 1.00 7.75 H new ATOM 0 HD23 LEU A 8 12.760 20.732 21.752 1.00 7.75 H new ATOM 71 N ALA A 9 13.932 25.241 21.473 1.00 6.57 N ATOM 72 CA ALA A 9 15.301 25.608 21.860 1.00 7.23 C ATOM 73 C ALA A 9 15.267 26.925 22.625 1.00 8.03 C ATOM 74 O ALA A 9 15.905 27.026 23.676 1.00 7.19 O ATOM 75 CB ALA A 9 16.143 25.679 20.586 1.00 6.44 C ATOM 0 H ALA A 9 13.810 25.148 20.627 1.00 6.57 H new ATOM 0 HA ALA A 9 15.702 24.951 22.451 1.00 7.23 H new ATOM 0 HB1 ALA A 9 17.055 25.920 20.813 1.00 6.44 H new ATOM 0 HB2 ALA A 9 16.138 24.815 20.146 1.00 6.44 H new ATOM 0 HB3 ALA A 9 15.771 26.347 19.989 1.00 6.44 H new ATOM 76 N ARG A 10 14.507 27.887 22.095 1.00 7.87 N ATOM 77 CA ARG A 10 14.412 29.208 22.800 1.00 8.68 C ATOM 78 C ARG A 10 13.715 29.069 24.148 1.00 9.08 C ATOM 79 O ARG A 10 14.157 29.704 25.160 1.00 9.76 O ATOM 80 CB ARG A 10 13.731 30.228 21.882 1.00 9.22 C ATOM 81 CG ARG A 10 14.622 30.493 20.652 1.00 11.06 C ATOM 82 CD ARG A 10 14.113 31.613 19.815 1.00 13.77 C ATOM 83 NE ARG A 10 12.871 31.312 19.114 1.00 14.12 N ATOM 84 CZ ARG A 10 12.813 30.893 17.836 1.00 13.17 C ATOM 85 NH1 ARG A 10 11.641 30.630 17.261 1.00 15.27 N ATOM 86 NH2 ARG A 10 13.930 30.749 17.150 1.00 13.11 N ATOM 0 H ARG A 10 14.054 27.819 21.367 1.00 7.87 H new ATOM 0 HA ARG A 10 15.304 29.533 22.996 1.00 8.68 H new ATOM 0 HB2 ARG A 10 12.865 29.895 21.600 1.00 9.22 H new ATOM 0 HB3 ARG A 10 13.574 31.055 22.363 1.00 9.22 H new ATOM 0 HG2 ARG A 10 15.524 30.696 20.946 1.00 11.06 H new ATOM 0 HG3 ARG A 10 14.674 29.688 20.114 1.00 11.06 H new ATOM 0 HD2 ARG A 10 13.975 32.390 20.380 1.00 13.77 H new ATOM 0 HD3 ARG A 10 14.791 31.852 19.164 1.00 13.77 H new ATOM 0 HE ARG A 10 12.131 31.408 19.542 1.00 14.12 H new ATOM 0 HH11 ARG A 10 10.912 30.727 17.707 1.00 15.27 H new ATOM 0 HH12 ARG A 10 11.613 30.363 16.444 1.00 15.27 H new ATOM 0 HH21 ARG A 10 14.687 30.922 17.520 1.00 13.11 H new ATOM 0 HH22 ARG A 10 13.901 30.482 16.333 1.00 13.11 H new ATOM 87 N THR A 11 12.679 28.225 24.174 1.00 8.02 N ATOM 88 CA THR A 11 11.963 27.998 25.449 1.00 9.07 C ATOM 89 C THR A 11 12.907 27.395 26.497 1.00 8.55 C ATOM 90 O THR A 11 12.949 27.893 27.642 1.00 9.17 O ATOM 91 CB THR A 11 10.692 27.073 25.273 1.00 9.46 C ATOM 92 OG1 THR A 11 9.920 27.699 24.196 1.00 12.25 O ATOM 93 CG2 THR A 11 9.871 26.950 26.559 1.00 9.54 C ATOM 0 H THR A 11 12.379 27.787 23.497 1.00 8.02 H new ATOM 0 HA THR A 11 11.652 28.865 25.754 1.00 9.07 H new ATOM 0 HB THR A 11 10.946 26.161 25.061 1.00 9.46 H new ATOM 0 HG1 THR A 11 10.295 27.550 23.459 1.00 12.25 H new ATOM 0 HG21 THR A 11 9.106 26.375 26.401 1.00 9.54 H new ATOM 0 HG22 THR A 11 10.422 26.568 27.260 1.00 9.54 H new ATOM 0 HG23 THR A 11 9.564 27.829 26.832 1.00 9.54 H new ATOM 94 N LEU A 12 13.581 26.294 26.113 1.00 7.06 N ATOM 95 CA LEU A 12 14.507 25.666 27.070 1.00 7.49 C ATOM 96 C LEU A 12 15.598 26.634 27.562 1.00 8.32 C ATOM 97 O LEU A 12 15.949 26.624 28.753 1.00 8.45 O ATOM 98 CB LEU A 12 15.092 24.431 26.399 1.00 7.88 C ATOM 99 CG LEU A 12 14.132 23.289 26.114 1.00 10.33 C ATOM 100 CD1 LEU A 12 14.906 22.031 25.598 1.00 9.79 C ATOM 101 CD2 LEU A 12 13.387 22.938 27.399 1.00 10.54 C ATOM 0 H LEU A 12 13.521 25.914 25.344 1.00 7.06 H new ATOM 0 HA LEU A 12 14.024 25.412 27.872 1.00 7.49 H new ATOM 0 HB2 LEU A 12 15.495 24.705 25.560 1.00 7.88 H new ATOM 0 HB3 LEU A 12 15.807 24.092 26.960 1.00 7.88 H new ATOM 0 HG LEU A 12 13.505 23.566 25.427 1.00 10.33 H new ATOM 0 HD11 LEU A 12 14.277 21.314 25.422 1.00 9.79 H new ATOM 0 HD12 LEU A 12 15.378 22.254 24.781 1.00 9.79 H new ATOM 0 HD13 LEU A 12 15.543 21.744 26.271 1.00 9.79 H new ATOM 0 HD21 LEU A 12 12.771 22.209 27.227 1.00 10.54 H new ATOM 0 HD22 LEU A 12 14.024 22.669 28.079 1.00 10.54 H new ATOM 0 HD23 LEU A 12 12.892 23.713 27.708 1.00 10.54 H new ATOM 102 N LYS A 13 16.109 27.466 26.656 1.00 9.70 N ATOM 103 CA LYS A 13 17.167 28.419 27.042 1.00 10.35 C ATOM 104 C LYS A 13 16.648 29.341 28.150 1.00 10.80 C ATOM 105 O LYS A 13 17.323 29.612 29.152 1.00 10.33 O ATOM 106 CB LYS A 13 17.631 29.337 25.905 1.00 12.50 C ATOM 107 CG LYS A 13 18.939 30.064 26.332 1.00 15.45 C ATOM 108 CD LYS A 13 19.813 30.384 25.138 1.00 19.63 C ATOM 109 CE LYS A 13 20.819 31.498 25.445 1.00 22.13 C ATOM 110 NZ LYS A 13 21.598 30.982 26.619 1.00 24.21 N ATOM 0 H LYS A 13 15.869 27.501 25.831 1.00 9.70 H new ATOM 0 HA LYS A 13 17.915 27.868 27.320 1.00 10.35 H new ATOM 0 HB2 LYS A 13 17.785 28.819 25.099 1.00 12.50 H new ATOM 0 HB3 LYS A 13 16.941 29.986 25.697 1.00 12.50 H new ATOM 0 HG2 LYS A 13 18.716 30.884 26.800 1.00 15.45 H new ATOM 0 HG3 LYS A 13 19.432 29.507 26.955 1.00 15.45 H new ATOM 0 HD2 LYS A 13 20.290 29.585 24.864 1.00 19.63 H new ATOM 0 HD3 LYS A 13 19.254 30.651 24.391 1.00 19.63 H new ATOM 0 HE2 LYS A 13 21.397 31.672 24.686 1.00 22.13 H new ATOM 0 HE3 LYS A 13 20.370 32.332 25.657 1.00 22.13 H new ATOM 0 HZ1 LYS A 13 22.400 31.367 26.636 1.00 24.21 H new ATOM 0 HZ2 LYS A 13 21.162 31.172 27.371 1.00 24.21 H new ATOM 0 HZ3 LYS A 13 21.694 30.100 26.547 1.00 24.21 H new ATOM 111 N ARG A 14 15.447 29.854 27.921 1.00 11.00 N ATOM 112 CA ARG A 14 14.788 30.775 28.868 1.00 12.08 C ATOM 113 C ARG A 14 14.552 30.128 30.217 1.00 11.66 C ATOM 114 O ARG A 14 14.564 30.802 31.257 1.00 10.43 O ATOM 115 CB ARG A 14 13.481 31.255 28.226 1.00 16.82 C ATOM 116 CG ARG A 14 13.143 32.735 28.352 1.00 23.12 C ATOM 117 CD ARG A 14 12.307 33.126 27.146 1.00 26.52 C ATOM 118 NE ARG A 14 11.222 32.187 26.940 1.00 29.28 N ATOM 119 CZ ARG A 14 10.670 31.735 25.819 1.00 30.18 C ATOM 120 NH1 ARG A 14 11.066 32.125 24.610 1.00 31.06 N ATOM 121 NH2 ARG A 14 9.685 30.831 25.983 1.00 29.76 N ATOM 0 H ARG A 14 14.984 29.685 27.217 1.00 11.00 H new ATOM 0 HA ARG A 14 15.366 31.534 29.042 1.00 12.08 H new ATOM 0 HB2 ARG A 14 13.511 31.033 27.282 1.00 16.82 H new ATOM 0 HB3 ARG A 14 12.752 30.746 28.614 1.00 16.82 H new ATOM 0 HG2 ARG A 14 12.654 32.903 29.173 1.00 23.12 H new ATOM 0 HG3 ARG A 14 13.954 33.267 28.390 1.00 23.12 H new ATOM 0 HD2 ARG A 14 11.948 34.018 27.273 1.00 26.52 H new ATOM 0 HD3 ARG A 14 12.868 33.156 26.355 1.00 26.52 H new ATOM 0 HE ARG A 14 10.879 31.870 27.662 1.00 29.28 H new ATOM 0 HH11 ARG A 14 11.706 32.694 24.530 1.00 31.06 H new ATOM 0 HH12 ARG A 14 10.682 31.808 23.909 1.00 31.06 H new ATOM 0 HH21 ARG A 14 9.454 30.585 26.774 1.00 29.76 H new ATOM 0 HH22 ARG A 14 9.287 30.500 25.297 1.00 29.76 H new ATOM 122 N LEU A 15 14.321 28.818 30.199 1.00 10.93 N ATOM 123 CA LEU A 15 14.062 28.040 31.429 1.00 11.27 C ATOM 124 C LEU A 15 15.353 27.596 32.113 1.00 11.34 C ATOM 125 O LEU A 15 15.301 26.815 33.097 1.00 11.23 O ATOM 126 CB LEU A 15 13.098 26.888 31.099 1.00 11.82 C ATOM 127 CG LEU A 15 11.677 27.291 30.687 1.00 12.49 C ATOM 128 CD1 LEU A 15 10.892 26.059 30.226 1.00 12.90 C ATOM 129 CD2 LEU A 15 10.939 27.938 31.859 1.00 12.65 C ATOM 0 H LEU A 15 14.308 28.348 29.479 1.00 10.93 H new ATOM 0 HA LEU A 15 13.629 28.605 32.088 1.00 11.27 H new ATOM 0 HB2 LEU A 15 13.486 26.362 30.382 1.00 11.82 H new ATOM 0 HB3 LEU A 15 13.038 26.309 31.875 1.00 11.82 H new ATOM 0 HG LEU A 15 11.745 27.929 29.959 1.00 12.49 H new ATOM 0 HD11 LEU A 15 9.995 26.324 29.968 1.00 12.90 H new ATOM 0 HD12 LEU A 15 11.340 25.655 29.467 1.00 12.90 H new ATOM 0 HD13 LEU A 15 10.842 25.417 30.951 1.00 12.90 H new ATOM 0 HD21 LEU A 15 10.044 28.186 31.581 1.00 12.65 H new ATOM 0 HD22 LEU A 15 10.886 27.309 32.595 1.00 12.65 H new ATOM 0 HD23 LEU A 15 11.419 28.731 32.146 1.00 12.65 H new ATOM 130 N GLY A 16 16.494 28.073 31.599 1.00 9.40 N ATOM 131 CA GLY A 16 17.785 27.820 32.205 1.00 8.57 C ATOM 132 C GLY A 16 18.357 26.437 32.008 1.00 9.16 C ATOM 133 O GLY A 16 19.141 25.989 32.875 1.00 10.44 O ATOM 0 H GLY A 16 16.530 28.553 30.886 1.00 9.40 H new ATOM 0 HA2 GLY A 16 18.418 28.464 31.852 1.00 8.57 H new ATOM 0 HA3 GLY A 16 17.712 27.986 33.158 1.00 8.57 H new ATOM 134 N MET A 17 18.078 25.792 30.899 1.00 8.44 N ATOM 135 CA MET A 17 18.618 24.411 30.708 1.00 9.07 C ATOM 136 C MET A 17 19.990 24.394 30.079 1.00 9.37 C ATOM 137 O MET A 17 20.645 23.327 30.109 1.00 9.98 O ATOM 138 CB MET A 17 17.626 23.660 29.809 1.00 10.68 C ATOM 139 CG MET A 17 16.301 23.444 30.507 1.00 15.00 C ATOM 140 SD MET A 17 16.530 22.075 31.691 1.00 19.21 S ATOM 141 CE MET A 17 15.900 20.715 30.673 1.00 18.64 C ATOM 0 H MET A 17 17.600 26.098 30.253 1.00 8.44 H new ATOM 0 HA MET A 17 18.716 23.991 31.577 1.00 9.07 H new ATOM 0 HB2 MET A 17 17.484 24.162 28.991 1.00 10.68 H new ATOM 0 HB3 MET A 17 18.003 22.803 29.554 1.00 10.68 H new ATOM 0 HG2 MET A 17 16.021 24.251 30.967 1.00 15.00 H new ATOM 0 HG3 MET A 17 15.607 23.228 29.865 1.00 15.00 H new ATOM 0 HE1 MET A 17 16.218 19.870 31.028 1.00 18.64 H new ATOM 0 HE2 MET A 17 14.930 20.725 30.684 1.00 18.64 H new ATOM 0 HE3 MET A 17 16.214 20.821 29.761 1.00 18.64 H new ATOM 142 N ASP A 18 20.408 25.482 29.455 1.00 10.41 N ATOM 143 CA ASP A 18 21.743 25.455 28.781 1.00 11.10 C ATOM 144 C ASP A 18 22.877 25.321 29.807 1.00 11.50 C ATOM 145 O ASP A 18 23.171 26.276 30.550 1.00 11.57 O ATOM 146 CB ASP A 18 21.986 26.628 27.838 1.00 12.07 C ATOM 147 CG ASP A 18 23.197 26.389 26.933 1.00 15.57 C ATOM 148 OD1 ASP A 18 23.617 25.250 26.600 1.00 13.65 O ATOM 149 OD2 ASP A 18 23.741 27.458 26.510 1.00 15.94 O ATOM 0 H ASP A 18 19.975 26.223 29.398 1.00 10.41 H new ATOM 0 HA ASP A 18 21.737 24.666 28.217 1.00 11.10 H new ATOM 0 HB2 ASP A 18 21.198 26.772 27.292 1.00 12.07 H new ATOM 0 HB3 ASP A 18 22.124 27.436 28.356 1.00 12.07 H new ATOM 150 N GLY A 19 23.498 24.165 29.831 1.00 10.90 N ATOM 151 CA GLY A 19 24.626 23.908 30.731 1.00 10.56 C ATOM 152 C GLY A 19 24.188 23.458 32.105 1.00 11.60 C ATOM 153 O GLY A 19 25.059 23.418 32.990 1.00 12.05 O ATOM 0 H GLY A 19 23.287 23.498 29.330 1.00 10.90 H new ATOM 0 HA2 GLY A 19 25.198 23.229 30.340 1.00 10.56 H new ATOM 0 HA3 GLY A 19 25.159 24.715 30.814 1.00 10.56 H new ATOM 154 N TYR A 20 22.895 23.171 32.257 1.00 10.16 N ATOM 155 CA TYR A 20 22.394 22.724 33.588 1.00 9.70 C ATOM 156 C TYR A 20 23.148 21.447 33.967 1.00 8.84 C ATOM 157 O TYR A 20 23.138 20.474 33.206 1.00 7.32 O ATOM 158 CB TYR A 20 20.844 22.565 33.598 1.00 9.53 C ATOM 159 CG TYR A 20 20.387 22.351 35.043 1.00 10.00 C ATOM 160 CD1 TYR A 20 20.210 23.408 35.920 1.00 10.80 C ATOM 161 CD2 TYR A 20 20.214 21.068 35.525 1.00 10.09 C ATOM 162 CE1 TYR A 20 19.857 23.207 37.254 1.00 10.88 C ATOM 163 CE2 TYR A 20 19.826 20.819 36.835 1.00 9.95 C ATOM 164 CZ TYR A 20 19.663 21.894 37.696 1.00 11.47 C ATOM 165 OH TYR A 20 19.278 21.586 38.971 1.00 13.28 O ATOM 0 H TYR A 20 22.301 23.221 31.637 1.00 10.16 H new ATOM 0 HA TYR A 20 22.570 23.397 34.264 1.00 9.70 H new ATOM 0 HB2 TYR A 20 20.422 23.354 33.224 1.00 9.53 H new ATOM 0 HB3 TYR A 20 20.579 21.813 33.046 1.00 9.53 H new ATOM 0 HD1 TYR A 20 20.330 24.277 35.610 1.00 10.80 H new ATOM 0 HD2 TYR A 20 20.362 20.349 34.954 1.00 10.09 H new ATOM 0 HE1 TYR A 20 19.753 23.926 37.834 1.00 10.88 H new ATOM 0 HE2 TYR A 20 19.678 19.949 37.129 1.00 9.95 H new ATOM 0 HH TYR A 20 18.808 22.210 39.280 1.00 13.28 H new ATOM 166 N ARG A 21 23.781 21.483 35.130 1.00 9.42 N ATOM 167 CA ARG A 21 24.573 20.342 35.600 1.00 11.56 C ATOM 168 C ARG A 21 25.505 19.809 34.493 1.00 11.44 C ATOM 169 O ARG A 21 25.692 18.574 34.374 1.00 10.84 O ATOM 170 CB ARG A 21 23.747 19.190 36.164 1.00 14.92 C ATOM 171 CG ARG A 21 23.095 19.432 37.503 1.00 19.63 C ATOM 172 CD ARG A 21 23.997 19.268 38.649 1.00 24.72 C ATOM 173 NE ARG A 21 24.349 17.893 39.051 1.00 27.35 N ATOM 174 CZ ARG A 21 25.331 17.720 39.963 1.00 28.46 C ATOM 175 NH1 ARG A 21 25.647 16.512 40.394 1.00 30.21 N ATOM 176 NH2 ARG A 21 26.033 18.758 40.423 1.00 27.76 N ATOM 0 H ARG A 21 23.768 22.155 35.666 1.00 9.42 H new ATOM 0 HA ARG A 21 25.097 20.697 36.335 1.00 11.56 H new ATOM 0 HB2 ARG A 21 23.054 18.969 35.523 1.00 14.92 H new ATOM 0 HB3 ARG A 21 24.321 18.412 36.240 1.00 14.92 H new ATOM 0 HG2 ARG A 21 22.731 20.331 37.517 1.00 19.63 H new ATOM 0 HG3 ARG A 21 22.347 18.822 37.603 1.00 19.63 H new ATOM 0 HD2 ARG A 21 24.820 19.742 38.451 1.00 24.72 H new ATOM 0 HD3 ARG A 21 23.593 19.708 39.413 1.00 24.72 H new ATOM 0 HE ARG A 21 23.939 17.217 38.713 1.00 27.35 H new ATOM 0 HH11 ARG A 21 25.226 15.825 40.094 1.00 30.21 H new ATOM 0 HH12 ARG A 21 26.274 16.413 40.975 1.00 30.21 H new ATOM 0 HH21 ARG A 21 25.863 19.552 40.139 1.00 27.76 H new ATOM 0 HH22 ARG A 21 26.655 18.633 41.003 1.00 27.76 H new ATOM 177 N GLY A 22 26.080 20.709 33.727 1.00 10.22 N ATOM 178 CA GLY A 22 27.034 20.413 32.657 1.00 9.90 C ATOM 179 C GLY A 22 26.440 19.948 31.347 1.00 9.64 C ATOM 180 O GLY A 22 27.211 19.518 30.448 1.00 9.74 O ATOM 0 H GLY A 22 25.925 21.551 33.812 1.00 10.22 H new ATOM 0 HA2 GLY A 22 27.560 21.210 32.488 1.00 9.90 H new ATOM 0 HA3 GLY A 22 27.646 19.731 32.974 1.00 9.90 H new ATOM 181 N ILE A 23 25.102 20.012 31.215 1.00 8.16 N ATOM 182 CA ILE A 23 24.471 19.514 29.973 1.00 7.55 C ATOM 183 C ILE A 23 24.068 20.642 29.023 1.00 8.27 C ATOM 184 O ILE A 23 23.218 21.452 29.401 1.00 7.12 O ATOM 185 CB ILE A 23 23.197 18.673 30.345 1.00 5.98 C ATOM 186 CG1 ILE A 23 23.567 17.587 31.390 1.00 5.85 C ATOM 187 CG2 ILE A 23 22.485 18.175 29.068 1.00 6.54 C ATOM 188 CD1 ILE A 23 22.293 17.139 32.209 1.00 5.00 C ATOM 0 H ILE A 23 24.561 20.326 31.805 1.00 8.16 H new ATOM 0 HA ILE A 23 25.127 18.968 29.512 1.00 7.55 H new ATOM 0 HB ILE A 23 22.532 19.224 30.786 1.00 5.98 H new ATOM 0 HG12 ILE A 23 23.955 16.819 30.941 1.00 5.85 H new ATOM 0 HG13 ILE A 23 24.241 17.932 31.996 1.00 5.85 H new ATOM 0 HG21 ILE A 23 21.702 17.658 29.314 1.00 6.54 H new ATOM 0 HG22 ILE A 23 22.214 18.936 28.531 1.00 6.54 H new ATOM 0 HG23 ILE A 23 23.091 17.618 28.556 1.00 6.54 H new ATOM 0 HD11 ILE A 23 22.545 16.461 32.855 1.00 5.00 H new ATOM 0 HD12 ILE A 23 21.921 17.905 32.673 1.00 5.00 H new ATOM 0 HD13 ILE A 23 21.629 16.775 31.602 1.00 5.00 H new ATOM 189 N SER A 24 24.710 20.635 27.852 1.00 8.32 N ATOM 190 CA SER A 24 24.422 21.700 26.858 1.00 7.53 C ATOM 191 C SER A 24 22.997 21.598 26.303 1.00 7.80 C ATOM 192 O SER A 24 22.303 20.541 26.207 1.00 5.99 O ATOM 193 CB SER A 24 25.448 21.629 25.716 1.00 8.47 C ATOM 194 OG SER A 24 25.143 20.496 24.887 1.00 8.65 O ATOM 0 H SER A 24 25.294 20.052 27.611 1.00 8.32 H new ATOM 0 HA SER A 24 24.492 22.557 27.308 1.00 7.53 H new ATOM 0 HB2 SER A 24 25.423 22.445 25.192 1.00 8.47 H new ATOM 0 HB3 SER A 24 26.345 21.550 26.076 1.00 8.47 H new ATOM 0 HG SER A 24 25.491 20.601 24.130 1.00 8.65 H new ATOM 195 N LEU A 25 22.546 22.784 25.853 1.00 7.10 N ATOM 196 CA LEU A 25 21.192 22.853 25.253 1.00 8.60 C ATOM 197 C LEU A 25 20.945 21.821 24.149 1.00 8.49 C ATOM 198 O LEU A 25 19.850 21.205 24.106 1.00 7.87 O ATOM 199 CB LEU A 25 20.981 24.313 24.768 1.00 9.37 C ATOM 200 CG LEU A 25 19.587 24.575 24.217 1.00 11.65 C ATOM 201 CD1 LEU A 25 18.473 24.393 25.243 1.00 12.65 C ATOM 202 CD2 LEU A 25 19.558 26.045 23.733 1.00 11.20 C ATOM 0 H LEU A 25 22.981 23.526 25.881 1.00 7.10 H new ATOM 0 HA LEU A 25 20.533 22.618 25.925 1.00 8.60 H new ATOM 0 HB2 LEU A 25 21.148 24.919 25.507 1.00 9.37 H new ATOM 0 HB3 LEU A 25 21.636 24.516 24.082 1.00 9.37 H new ATOM 0 HG LEU A 25 19.424 23.931 23.510 1.00 11.65 H new ATOM 0 HD11 LEU A 25 17.616 24.575 24.826 1.00 12.65 H new ATOM 0 HD12 LEU A 25 18.484 23.481 25.574 1.00 12.65 H new ATOM 0 HD13 LEU A 25 18.610 25.007 25.982 1.00 12.65 H new ATOM 0 HD21 LEU A 25 18.681 26.250 23.373 1.00 11.20 H new ATOM 0 HD22 LEU A 25 19.747 26.635 24.479 1.00 11.20 H new ATOM 0 HD23 LEU A 25 20.228 26.172 23.043 1.00 11.20 H new ATOM 203 N ALA A 26 21.927 21.648 23.270 1.00 8.02 N ATOM 204 CA ALA A 26 21.806 20.689 22.147 1.00 7.16 C ATOM 205 C ALA A 26 21.553 19.269 22.623 1.00 7.62 C ATOM 206 O ALA A 26 20.890 18.510 21.880 1.00 7.41 O ATOM 207 CB ALA A 26 23.007 20.793 21.212 1.00 7.84 C ATOM 0 H ALA A 26 22.675 22.071 23.297 1.00 8.02 H new ATOM 0 HA ALA A 26 21.020 20.935 21.634 1.00 7.16 H new ATOM 0 HB1 ALA A 26 22.908 20.158 20.486 1.00 7.84 H new ATOM 0 HB2 ALA A 26 23.059 21.692 20.851 1.00 7.84 H new ATOM 0 HB3 ALA A 26 23.819 20.596 21.705 1.00 7.84 H new ATOM 208 N ASN A 27 22.065 18.944 23.806 1.00 7.50 N ATOM 209 CA ASN A 27 21.860 17.584 24.387 1.00 6.04 C ATOM 210 C ASN A 27 20.398 17.459 24.801 1.00 6.89 C ATOM 211 O ASN A 27 19.790 16.403 24.531 1.00 7.03 O ATOM 212 CB ASN A 27 22.809 17.297 25.541 1.00 6.62 C ATOM 213 CG ASN A 27 24.150 16.771 24.999 1.00 9.29 C ATOM 214 OD1 ASN A 27 24.252 15.654 24.438 1.00 8.17 O ATOM 215 ND2 ASN A 27 25.185 17.608 25.061 1.00 8.67 N ATOM 0 H ASN A 27 22.530 19.477 24.295 1.00 7.50 H new ATOM 0 HA ASN A 27 22.067 16.914 23.717 1.00 6.04 H new ATOM 0 HB2 ASN A 27 22.955 18.104 26.059 1.00 6.62 H new ATOM 0 HB3 ASN A 27 22.414 16.644 26.140 1.00 6.62 H new ATOM 0 HD21 ASN A 27 25.939 17.386 24.713 1.00 8.67 H new ATOM 0 HD22 ASN A 27 25.099 18.370 25.449 1.00 8.67 H new ATOM 216 N TRP A 28 19.885 18.491 25.465 1.00 6.41 N ATOM 217 CA TRP A 28 18.451 18.449 25.873 1.00 7.46 C ATOM 218 C TRP A 28 17.551 18.335 24.624 1.00 6.94 C ATOM 219 O TRP A 28 16.566 17.571 24.632 1.00 7.29 O ATOM 220 CB TRP A 28 18.127 19.682 26.700 1.00 7.71 C ATOM 221 CG TRP A 28 18.739 19.760 28.055 1.00 7.13 C ATOM 222 CD1 TRP A 28 19.687 20.640 28.510 1.00 6.92 C ATOM 223 CD2 TRP A 28 18.414 18.932 29.181 1.00 7.44 C ATOM 224 NE1 TRP A 28 19.940 20.434 29.856 1.00 5.69 N ATOM 225 CE2 TRP A 28 19.182 19.385 30.274 1.00 5.84 C ATOM 226 CE3 TRP A 28 17.542 17.857 29.340 1.00 7.79 C ATOM 227 CZ2 TRP A 28 19.122 18.771 31.495 1.00 7.66 C ATOM 228 CZ3 TRP A 28 17.461 17.243 30.574 1.00 7.26 C ATOM 229 CH2 TRP A 28 18.223 17.697 31.643 1.00 8.88 C ATOM 0 H TRP A 28 20.315 19.202 25.688 1.00 6.41 H new ATOM 0 HA TRP A 28 18.282 17.668 26.422 1.00 7.46 H new ATOM 0 HB2 TRP A 28 18.404 20.464 26.198 1.00 7.71 H new ATOM 0 HB3 TRP A 28 17.164 19.735 26.800 1.00 7.71 H new ATOM 0 HD1 TRP A 28 20.103 21.286 27.987 1.00 6.92 H new ATOM 0 HE1 TRP A 28 20.482 20.890 30.343 1.00 5.69 H new ATOM 0 HE3 TRP A 28 17.024 17.558 28.628 1.00 7.79 H new ATOM 0 HZ2 TRP A 28 19.656 19.053 32.202 1.00 7.66 H new ATOM 0 HZ3 TRP A 28 16.890 16.518 30.691 1.00 7.26 H new ATOM 0 HH2 TRP A 28 18.138 17.284 32.472 1.00 8.88 H new ATOM 230 N MET A 29 17.884 19.074 23.602 1.00 6.21 N ATOM 231 CA MET A 29 17.149 19.046 22.322 1.00 6.35 C ATOM 232 C MET A 29 17.180 17.621 21.743 1.00 7.22 C ATOM 233 O MET A 29 16.124 17.059 21.377 1.00 7.82 O ATOM 234 CB MET A 29 17.677 20.068 21.317 1.00 5.45 C ATOM 235 CG MET A 29 17.370 21.497 21.738 1.00 8.44 C ATOM 236 SD MET A 29 15.551 21.837 21.720 1.00 10.51 S ATOM 237 CE MET A 29 15.180 21.659 19.979 1.00 10.08 C ATOM 0 H MET A 29 18.548 19.620 23.610 1.00 6.21 H new ATOM 0 HA MET A 29 16.230 19.300 22.500 1.00 6.35 H new ATOM 0 HB2 MET A 29 18.636 19.960 21.221 1.00 5.45 H new ATOM 0 HB3 MET A 29 17.284 19.897 20.447 1.00 5.45 H new ATOM 0 HG2 MET A 29 17.721 21.655 22.628 1.00 8.44 H new ATOM 0 HG3 MET A 29 17.821 22.115 21.142 1.00 8.44 H new ATOM 0 HE1 MET A 29 14.288 21.997 19.802 1.00 10.08 H new ATOM 0 HE2 MET A 29 15.825 22.161 19.457 1.00 10.08 H new ATOM 0 HE3 MET A 29 15.225 20.722 19.733 1.00 10.08 H new ATOM 238 N CYS A 30 18.361 17.049 21.659 1.00 6.90 N ATOM 239 CA CYS A 30 18.518 15.679 21.147 1.00 8.13 C ATOM 240 C CYS A 30 17.634 14.701 21.936 1.00 8.45 C ATOM 241 O CYS A 30 16.977 13.831 21.358 1.00 7.59 O ATOM 242 CB CYS A 30 19.997 15.279 21.224 1.00 7.59 C ATOM 243 SG CYS A 30 20.291 13.668 20.390 1.00 8.86 S ATOM 0 H CYS A 30 19.097 17.429 21.892 1.00 6.90 H new ATOM 0 HA CYS A 30 18.232 15.644 20.221 1.00 8.13 H new ATOM 0 HB2 CYS A 30 20.543 15.965 20.809 1.00 7.59 H new ATOM 0 HB3 CYS A 30 20.271 15.221 22.153 1.00 7.59 H new ATOM 244 N LEU A 31 17.666 14.843 23.285 1.00 8.26 N ATOM 245 CA LEU A 31 16.851 13.971 24.125 1.00 7.97 C ATOM 246 C LEU A 31 15.355 14.135 23.805 1.00 8.57 C ATOM 247 O LEU A 31 14.671 13.101 23.634 1.00 8.26 O ATOM 248 CB LEU A 31 17.135 14.288 25.614 1.00 9.19 C ATOM 249 CG LEU A 31 16.278 13.528 26.629 1.00 9.02 C ATOM 250 CD1 LEU A 31 16.671 12.060 26.696 1.00 11.38 C ATOM 251 CD2 LEU A 31 16.507 14.186 27.993 1.00 9.74 C ATOM 0 H LEU A 31 18.141 15.422 23.708 1.00 8.26 H new ATOM 0 HA LEU A 31 17.085 13.047 23.944 1.00 7.97 H new ATOM 0 HB2 LEU A 31 18.068 14.097 25.796 1.00 9.19 H new ATOM 0 HB3 LEU A 31 17.007 15.239 25.755 1.00 9.19 H new ATOM 0 HG LEU A 31 15.345 13.565 26.367 1.00 9.02 H new ATOM 0 HD11 LEU A 31 16.113 11.605 27.346 1.00 11.38 H new ATOM 0 HD12 LEU A 31 16.550 11.652 25.824 1.00 11.38 H new ATOM 0 HD13 LEU A 31 17.601 11.986 26.961 1.00 11.38 H new ATOM 0 HD21 LEU A 31 15.978 13.729 28.666 1.00 9.74 H new ATOM 0 HD22 LEU A 31 17.447 14.128 28.227 1.00 9.74 H new ATOM 0 HD23 LEU A 31 16.242 15.118 27.951 1.00 9.74 H new ATOM 252 N ALA A 32 14.849 15.370 23.773 1.00 6.88 N ATOM 253 CA ALA A 32 13.389 15.554 23.527 1.00 7.14 C ATOM 254 C ALA A 32 12.949 15.008 22.173 1.00 7.65 C ATOM 255 O ALA A 32 11.845 14.476 21.980 1.00 6.94 O ATOM 256 CB ALA A 32 13.056 17.056 23.613 1.00 7.36 C ATOM 0 H ALA A 32 15.300 16.093 23.885 1.00 6.88 H new ATOM 0 HA ALA A 32 12.908 15.053 24.204 1.00 7.14 H new ATOM 0 HB1 ALA A 32 12.108 17.187 23.454 1.00 7.36 H new ATOM 0 HB2 ALA A 32 13.285 17.388 24.495 1.00 7.36 H new ATOM 0 HB3 ALA A 32 13.565 17.539 22.944 1.00 7.36 H new ATOM 257 N LYS A 33 13.873 15.236 21.213 1.00 7.26 N ATOM 258 CA LYS A 33 13.590 14.792 19.839 1.00 9.36 C ATOM 259 C LYS A 33 13.393 13.272 19.816 1.00 9.48 C ATOM 260 O LYS A 33 12.404 12.799 19.250 1.00 9.68 O ATOM 261 CB LYS A 33 14.743 15.143 18.891 1.00 11.25 C ATOM 262 CG LYS A 33 14.401 14.925 17.415 1.00 15.93 C ATOM 263 CD LYS A 33 14.791 13.526 16.967 1.00 20.74 C ATOM 264 CE LYS A 33 14.512 13.360 15.463 1.00 23.57 C ATOM 265 NZ LYS A 33 14.583 11.912 15.119 1.00 27.41 N ATOM 0 H LYS A 33 14.630 15.626 21.332 1.00 7.26 H new ATOM 0 HA LYS A 33 12.786 15.246 19.543 1.00 9.36 H new ATOM 0 HB2 LYS A 33 14.993 16.071 19.025 1.00 11.25 H new ATOM 0 HB3 LYS A 33 15.517 14.605 19.120 1.00 11.25 H new ATOM 0 HG2 LYS A 33 13.450 15.060 17.276 1.00 15.93 H new ATOM 0 HG3 LYS A 33 14.863 15.583 16.872 1.00 15.93 H new ATOM 0 HD2 LYS A 33 15.731 13.370 17.149 1.00 20.74 H new ATOM 0 HD3 LYS A 33 14.291 12.865 17.471 1.00 20.74 H new ATOM 0 HE2 LYS A 33 13.637 13.715 15.242 1.00 23.57 H new ATOM 0 HE3 LYS A 33 15.160 13.861 14.944 1.00 23.57 H new ATOM 0 HZ1 LYS A 33 14.656 11.819 14.237 1.00 27.41 H new ATOM 0 HZ2 LYS A 33 15.292 11.547 15.515 1.00 27.41 H new ATOM 0 HZ3 LYS A 33 13.844 11.503 15.400 1.00 27.41 H new ATOM 266 N TRP A 34 14.325 12.534 20.401 1.00 9.71 N ATOM 267 CA TRP A 34 14.227 11.054 20.350 1.00 10.87 C ATOM 268 C TRP A 34 13.250 10.489 21.351 1.00 10.87 C ATOM 269 O TRP A 34 12.746 9.387 21.055 1.00 11.78 O ATOM 270 CB TRP A 34 15.639 10.441 20.473 1.00 12.12 C ATOM 271 CG TRP A 34 16.404 10.767 19.229 1.00 13.39 C ATOM 272 CD1 TRP A 34 17.379 11.701 19.078 1.00 14.28 C ATOM 273 CD2 TRP A 34 16.213 10.166 17.941 1.00 15.43 C ATOM 274 NE1 TRP A 34 17.813 11.725 17.777 1.00 14.84 N ATOM 275 CE2 TRP A 34 17.110 10.803 17.063 1.00 16.01 C ATOM 276 CE3 TRP A 34 15.350 9.156 17.481 1.00 15.82 C ATOM 277 CZ2 TRP A 34 17.199 10.465 15.708 1.00 17.49 C ATOM 278 CZ3 TRP A 34 15.449 8.816 16.138 1.00 17.50 C ATOM 279 CH2 TRP A 34 16.359 9.434 15.285 1.00 18.23 C ATOM 0 H TRP A 34 15.007 12.844 20.823 1.00 9.71 H new ATOM 0 HA TRP A 34 13.858 10.804 19.488 1.00 10.87 H new ATOM 0 HB2 TRP A 34 16.095 10.796 21.252 1.00 12.12 H new ATOM 0 HB3 TRP A 34 15.581 9.480 20.592 1.00 12.12 H new ATOM 0 HD1 TRP A 34 17.705 12.245 19.758 1.00 14.28 H new ATOM 0 HE1 TRP A 34 18.428 12.238 17.464 1.00 14.84 H new ATOM 0 HE3 TRP A 34 14.743 8.737 18.048 1.00 15.82 H new ATOM 0 HZ2 TRP A 34 17.781 10.900 15.127 1.00 17.49 H new ATOM 0 HZ3 TRP A 34 14.890 8.155 15.798 1.00 17.50 H new ATOM 0 HH2 TRP A 34 16.409 9.149 14.401 1.00 18.23 H new ATOM 280 N GLU A 35 13.007 11.176 22.455 1.00 8.75 N ATOM 281 CA GLU A 35 12.039 10.596 23.388 1.00 9.22 C ATOM 282 C GLU A 35 10.600 10.790 22.947 1.00 8.47 C ATOM 283 O GLU A 35 9.812 9.843 23.011 1.00 7.76 O ATOM 284 CB GLU A 35 12.186 11.206 24.788 1.00 11.25 C ATOM 285 CG GLU A 35 13.434 10.778 25.578 1.00 11.94 C ATOM 286 CD GLU A 35 13.428 9.323 25.964 1.00 14.19 C ATOM 287 OE1 GLU A 35 12.453 8.606 25.792 1.00 13.02 O ATOM 288 OE2 GLU A 35 14.543 8.968 26.445 1.00 16.49 O ATOM 0 H GLU A 35 13.360 11.928 22.679 1.00 8.75 H new ATOM 0 HA GLU A 35 12.236 9.646 23.404 1.00 9.22 H new ATOM 0 HB2 GLU A 35 12.194 12.172 24.702 1.00 11.25 H new ATOM 0 HB3 GLU A 35 11.400 10.974 25.307 1.00 11.25 H new ATOM 0 HG2 GLU A 35 14.224 10.961 25.046 1.00 11.94 H new ATOM 0 HG3 GLU A 35 13.501 11.318 26.381 1.00 11.94 H new ATOM 289 N SER A 36 10.240 11.989 22.523 1.00 8.35 N ATOM 290 CA SER A 36 8.824 12.253 22.150 1.00 9.28 C ATOM 291 C SER A 36 8.574 12.974 20.843 1.00 10.49 C ATOM 292 O SER A 36 7.383 13.272 20.552 1.00 12.52 O ATOM 293 CB SER A 36 8.228 13.192 23.232 1.00 9.59 C ATOM 294 OG SER A 36 8.907 14.444 23.193 1.00 8.71 O ATOM 0 H SER A 36 10.772 12.660 22.439 1.00 8.35 H new ATOM 0 HA SER A 36 8.431 11.370 22.068 1.00 9.28 H new ATOM 0 HB2 SER A 36 7.279 13.321 23.076 1.00 9.59 H new ATOM 0 HB3 SER A 36 8.319 12.790 24.110 1.00 9.59 H new ATOM 0 HG SER A 36 9.425 14.503 23.851 1.00 8.71 H new ATOM 295 N GLY A 37 9.580 13.308 20.058 1.00 9.85 N ATOM 296 CA GLY A 37 9.288 14.059 18.824 1.00 9.18 C ATOM 297 C GLY A 37 8.803 15.450 19.238 1.00 9.32 C ATOM 298 O GLY A 37 8.062 16.089 18.481 1.00 9.20 O ATOM 0 H GLY A 37 10.408 13.126 20.200 1.00 9.85 H new ATOM 0 HA2 GLY A 37 10.081 14.125 18.269 1.00 9.18 H new ATOM 0 HA3 GLY A 37 8.611 13.604 18.299 1.00 9.18 H new ATOM 299 N TYR A 38 9.276 15.977 20.340 1.00 9.80 N ATOM 300 CA TYR A 38 8.924 17.303 20.866 1.00 9.88 C ATOM 301 C TYR A 38 7.425 17.380 21.220 1.00 11.00 C ATOM 302 O TYR A 38 6.852 18.478 21.132 1.00 10.68 O ATOM 303 CB TYR A 38 9.258 18.408 19.840 1.00 9.38 C ATOM 304 CG TYR A 38 10.659 18.426 19.279 1.00 10.13 C ATOM 305 CD1 TYR A 38 10.900 18.657 17.926 1.00 9.71 C ATOM 306 CD2 TYR A 38 11.770 18.214 20.124 1.00 9.75 C ATOM 307 CE1 TYR A 38 12.199 18.709 17.389 1.00 9.84 C ATOM 308 CE2 TYR A 38 13.059 18.221 19.600 1.00 9.39 C ATOM 309 CZ TYR A 38 13.266 18.482 18.259 1.00 9.69 C ATOM 310 OH TYR A 38 14.559 18.491 17.803 1.00 10.96 O ATOM 0 H TYR A 38 9.841 15.562 20.838 1.00 9.80 H new ATOM 0 HA TYR A 38 9.448 17.442 21.670 1.00 9.88 H new ATOM 0 HB2 TYR A 38 8.638 18.327 19.098 1.00 9.38 H new ATOM 0 HB3 TYR A 38 9.090 19.267 20.258 1.00 9.38 H new ATOM 0 HD1 TYR A 38 10.175 18.781 17.357 1.00 9.71 H new ATOM 0 HD2 TYR A 38 11.640 18.069 21.033 1.00 9.75 H new ATOM 0 HE1 TYR A 38 12.341 18.888 16.488 1.00 9.84 H new ATOM 0 HE2 TYR A 38 13.785 18.049 20.155 1.00 9.39 H new ATOM 0 HH TYR A 38 15.083 18.341 18.442 1.00 10.96 H new ATOM 311 N ASN A 39 6.867 16.248 21.631 1.00 9.91 N ATOM 312 CA ASN A 39 5.416 16.192 21.934 1.00 10.73 C ATOM 313 C ASN A 39 5.145 16.191 23.440 1.00 9.98 C ATOM 314 O ASN A 39 5.529 15.205 24.095 1.00 10.52 O ATOM 315 CB ASN A 39 4.854 14.942 21.191 1.00 10.94 C ATOM 316 CG ASN A 39 3.327 14.903 21.283 1.00 11.68 C ATOM 317 OD1 ASN A 39 2.639 15.748 21.865 1.00 10.85 O ATOM 318 ND2 ASN A 39 2.749 13.853 20.694 1.00 11.57 N ATOM 0 H ASN A 39 7.290 15.508 21.743 1.00 9.91 H new ATOM 0 HA ASN A 39 4.958 16.987 21.619 1.00 10.73 H new ATOM 0 HB2 ASN A 39 5.127 14.963 20.260 1.00 10.94 H new ATOM 0 HB3 ASN A 39 5.227 14.135 21.578 1.00 10.94 H new ATOM 0 HD21 ASN A 39 1.894 13.763 20.719 1.00 11.57 H new ATOM 0 HD22 ASN A 39 3.232 13.267 20.290 1.00 11.57 H new ATOM 319 N THR A 40 4.467 17.208 23.968 1.00 7.82 N ATOM 320 CA THR A 40 4.236 17.205 25.413 1.00 8.67 C ATOM 321 C THR A 40 3.166 16.214 25.853 1.00 9.75 C ATOM 322 O THR A 40 3.107 15.930 27.077 1.00 9.89 O ATOM 323 CB THR A 40 3.830 18.662 25.890 1.00 9.05 C ATOM 324 OG1 THR A 40 2.558 18.927 25.211 1.00 9.25 O ATOM 325 CG2 THR A 40 4.895 19.723 25.517 1.00 7.86 C ATOM 0 H THR A 40 4.146 17.878 23.535 1.00 7.82 H new ATOM 0 HA THR A 40 5.067 16.924 25.826 1.00 8.67 H new ATOM 0 HB THR A 40 3.757 18.713 26.856 1.00 9.05 H new ATOM 0 HG1 THR A 40 1.925 18.837 25.756 1.00 9.25 H new ATOM 0 HG21 THR A 40 4.605 20.595 25.827 1.00 7.86 H new ATOM 0 HG22 THR A 40 5.740 19.495 25.936 1.00 7.86 H new ATOM 0 HG23 THR A 40 5.008 19.744 24.554 1.00 7.86 H new ATOM 326 N ARG A 41 2.335 15.736 24.956 1.00 11.12 N ATOM 327 CA ARG A 41 1.276 14.813 25.463 1.00 14.53 C ATOM 328 C ARG A 41 1.662 13.347 25.333 1.00 14.63 C ATOM 329 O ARG A 41 0.818 12.511 25.711 1.00 14.97 O ATOM 330 CB ARG A 41 -0.105 15.068 24.821 1.00 19.75 C ATOM 331 CG ARG A 41 -0.230 14.561 23.394 1.00 24.16 C ATOM 332 CD ARG A 41 -1.621 14.624 22.860 1.00 30.88 C ATOM 333 NE ARG A 41 -2.514 13.672 23.554 1.00 34.73 N ATOM 334 CZ ARG A 41 -3.811 13.953 23.726 1.00 36.60 C ATOM 335 NH1 ARG A 41 -4.287 15.073 23.153 1.00 38.23 N ATOM 336 NH2 ARG A 41 -4.561 13.213 24.544 1.00 36.61 N ATOM 0 H ARG A 41 2.339 15.900 24.112 1.00 11.12 H new ATOM 0 HA ARG A 41 1.199 15.016 26.408 1.00 14.53 H new ATOM 0 HB2 ARG A 41 -0.787 14.644 25.365 1.00 19.75 H new ATOM 0 HB3 ARG A 41 -0.285 16.021 24.832 1.00 19.75 H new ATOM 0 HG2 ARG A 41 0.353 15.083 22.821 1.00 24.16 H new ATOM 0 HG3 ARG A 41 0.082 13.643 23.356 1.00 24.16 H new ATOM 0 HD2 ARG A 41 -1.966 15.525 22.960 1.00 30.88 H new ATOM 0 HD3 ARG A 41 -1.613 14.428 21.910 1.00 30.88 H new ATOM 0 HE ARG A 41 -2.197 12.930 23.850 1.00 34.73 H new ATOM 0 HH11 ARG A 41 -3.762 15.579 22.696 1.00 38.23 H new ATOM 0 HH12 ARG A 41 -5.116 15.283 23.244 1.00 38.23 H new ATOM 0 HH21 ARG A 41 -4.212 12.550 24.965 1.00 36.61 H new ATOM 0 HH22 ARG A 41 -5.394 13.399 24.650 1.00 36.61 H new ATOM 337 N ALA A 42 2.834 13.064 24.794 1.00 13.71 N ATOM 338 CA ALA A 42 3.259 11.666 24.619 1.00 14.97 C ATOM 339 C ALA A 42 3.282 10.883 25.943 1.00 14.37 C ATOM 340 O ALA A 42 3.778 11.359 26.967 1.00 12.40 O ATOM 341 CB ALA A 42 4.671 11.631 24.008 1.00 14.83 C ATOM 0 H ALA A 42 3.400 13.652 24.522 1.00 13.71 H new ATOM 0 HA ALA A 42 2.611 11.245 24.033 1.00 14.97 H new ATOM 0 HB1 ALA A 42 4.951 10.710 23.893 1.00 14.83 H new ATOM 0 HB2 ALA A 42 4.662 12.076 23.146 1.00 14.83 H new ATOM 0 HB3 ALA A 42 5.291 12.085 24.600 1.00 14.83 H new ATOM 342 N THR A 43 2.803 9.655 25.841 1.00 14.84 N ATOM 343 CA THR A 43 2.799 8.724 26.978 1.00 15.22 C ATOM 344 C THR A 43 3.173 7.352 26.379 1.00 16.27 C ATOM 345 O THR A 43 2.778 7.037 25.235 1.00 16.10 O ATOM 346 CB THR A 43 1.492 8.574 27.826 1.00 17.28 C ATOM 347 OG1 THR A 43 0.475 8.089 26.882 1.00 18.52 O ATOM 348 CG2 THR A 43 0.998 9.813 28.570 1.00 17.04 C ATOM 0 H THR A 43 2.470 9.330 25.117 1.00 14.84 H new ATOM 0 HA THR A 43 3.417 9.092 27.628 1.00 15.22 H new ATOM 0 HB THR A 43 1.682 7.967 28.559 1.00 17.28 H new ATOM 0 HG1 THR A 43 -0.255 7.987 27.284 1.00 18.52 H new ATOM 0 HG21 THR A 43 0.187 9.597 29.056 1.00 17.04 H new ATOM 0 HG22 THR A 43 1.679 10.109 29.194 1.00 17.04 H new ATOM 0 HG23 THR A 43 0.814 10.521 27.933 1.00 17.04 H new ATOM 349 N ASN A 44 3.922 6.600 27.158 1.00 15.59 N ATOM 350 CA ASN A 44 4.356 5.265 26.718 1.00 16.77 C ATOM 351 C ASN A 44 4.308 4.334 27.944 1.00 15.16 C ATOM 352 O ASN A 44 5.044 4.566 28.896 1.00 13.17 O ATOM 353 CB ASN A 44 5.754 5.287 26.092 1.00 20.51 C ATOM 354 CG ASN A 44 6.301 3.878 25.879 1.00 25.40 C ATOM 355 OD1 ASN A 44 5.934 3.201 24.913 1.00 27.44 O ATOM 356 ND2 ASN A 44 7.150 3.383 26.792 1.00 26.68 N ATOM 0 H ASN A 44 4.195 6.830 27.941 1.00 15.59 H new ATOM 0 HA ASN A 44 3.762 4.943 26.022 1.00 16.77 H new ATOM 0 HB2 ASN A 44 5.721 5.753 25.242 1.00 20.51 H new ATOM 0 HB3 ASN A 44 6.357 5.785 26.665 1.00 20.51 H new ATOM 0 HD21 ASN A 44 7.449 2.581 26.711 1.00 26.68 H new ATOM 0 HD22 ASN A 44 7.395 3.868 27.459 1.00 26.68 H new ATOM 357 N TYR A 45 3.448 3.335 27.832 1.00 14.91 N ATOM 358 CA TYR A 45 3.339 2.351 28.929 1.00 14.51 C ATOM 359 C TYR A 45 4.406 1.269 28.696 1.00 14.86 C ATOM 360 O TYR A 45 4.665 0.867 27.558 1.00 15.06 O ATOM 361 CB TYR A 45 1.930 1.770 28.941 1.00 15.13 C ATOM 362 CG TYR A 45 1.709 0.666 29.935 1.00 16.03 C ATOM 363 CD1 TYR A 45 1.502 -0.671 29.547 1.00 18.36 C ATOM 364 CD2 TYR A 45 1.778 0.974 31.297 1.00 15.24 C ATOM 365 CE1 TYR A 45 1.310 -1.677 30.523 1.00 17.72 C ATOM 366 CE2 TYR A 45 1.595 0.002 32.262 1.00 16.60 C ATOM 367 CZ TYR A 45 1.343 -1.323 31.865 1.00 17.58 C ATOM 368 OH TYR A 45 1.168 -2.212 32.903 1.00 18.31 O ATOM 0 H TYR A 45 2.930 3.200 27.159 1.00 14.91 H new ATOM 0 HA TYR A 45 3.492 2.761 29.795 1.00 14.51 H new ATOM 0 HB2 TYR A 45 1.301 2.485 29.126 1.00 15.13 H new ATOM 0 HB3 TYR A 45 1.725 1.435 28.054 1.00 15.13 H new ATOM 0 HD1 TYR A 45 1.491 -0.894 28.644 1.00 18.36 H new ATOM 0 HD2 TYR A 45 1.950 1.850 31.559 1.00 15.24 H new ATOM 0 HE1 TYR A 45 1.164 -2.560 30.270 1.00 17.72 H new ATOM 0 HE2 TYR A 45 1.638 0.222 33.165 1.00 16.60 H new ATOM 0 HH TYR A 45 1.224 -1.803 33.635 1.00 18.31 H new ATOM 369 N ASN A 46 5.009 0.788 29.756 1.00 14.60 N ATOM 370 CA ASN A 46 6.046 -0.254 29.789 1.00 15.89 C ATOM 371 C ASN A 46 5.391 -1.494 30.471 1.00 16.68 C ATOM 372 O ASN A 46 5.332 -1.582 31.707 1.00 16.00 O ATOM 373 CB ASN A 46 7.288 0.233 30.538 1.00 15.88 C ATOM 374 CG ASN A 46 7.799 1.555 29.965 1.00 19.15 C ATOM 375 OD1 ASN A 46 8.235 1.586 28.784 1.00 20.16 O ATOM 376 ND2 ASN A 46 7.700 2.637 30.723 1.00 17.75 N ATOM 0 H ASN A 46 4.819 1.075 30.544 1.00 14.60 H new ATOM 0 HA ASN A 46 6.355 -0.482 28.898 1.00 15.89 H new ATOM 0 HB2 ASN A 46 7.078 0.345 31.478 1.00 15.88 H new ATOM 0 HB3 ASN A 46 7.986 -0.438 30.481 1.00 15.88 H new ATOM 0 HD21 ASN A 46 7.939 3.403 30.413 1.00 17.75 H new ATOM 0 HD22 ASN A 46 7.397 2.574 31.525 1.00 17.75 H new ATOM 377 N PRO A 47 4.880 -2.390 29.646 1.00 17.16 N ATOM 378 CA PRO A 47 4.217 -3.609 30.147 1.00 17.59 C ATOM 379 C PRO A 47 5.099 -4.411 31.099 1.00 17.58 C ATOM 380 O PRO A 47 4.676 -5.034 32.083 1.00 16.99 O ATOM 381 CB PRO A 47 3.954 -4.428 28.866 1.00 18.09 C ATOM 382 CG PRO A 47 3.796 -3.342 27.826 1.00 19.39 C ATOM 383 CD PRO A 47 4.911 -2.329 28.179 1.00 17.46 C ATOM 0 HA PRO A 47 3.419 -3.395 30.655 1.00 17.59 H new ATOM 0 HB2 PRO A 47 4.690 -5.025 28.659 1.00 18.09 H new ATOM 0 HB3 PRO A 47 3.157 -4.976 28.943 1.00 18.09 H new ATOM 0 HG2 PRO A 47 3.904 -3.691 26.927 1.00 19.39 H new ATOM 0 HG3 PRO A 47 2.917 -2.933 27.868 1.00 19.39 H new ATOM 0 HD2 PRO A 47 5.773 -2.589 27.818 1.00 17.46 H new ATOM 0 HD3 PRO A 47 4.720 -1.439 27.843 1.00 17.46 H new ATOM 384 N GLY A 48 6.386 -4.368 30.757 1.00 17.56 N ATOM 385 CA GLY A 48 7.444 -5.065 31.454 1.00 17.56 C ATOM 386 C GLY A 48 7.487 -4.794 32.946 1.00 16.35 C ATOM 387 O GLY A 48 7.653 -5.742 33.736 1.00 16.70 O ATOM 0 H GLY A 48 6.670 -3.912 30.085 1.00 17.56 H new ATOM 0 HA2 GLY A 48 7.339 -6.019 31.311 1.00 17.56 H new ATOM 0 HA3 GLY A 48 8.296 -4.812 31.065 1.00 17.56 H new ATOM 388 N ASP A 49 7.362 -3.534 33.343 1.00 14.89 N ATOM 389 CA ASP A 49 7.443 -3.235 34.786 1.00 13.49 C ATOM 390 C ASP A 49 6.250 -2.418 35.287 1.00 12.72 C ATOM 391 O ASP A 49 6.344 -1.933 36.437 1.00 11.84 O ATOM 392 CB ASP A 49 8.793 -2.580 35.089 1.00 13.58 C ATOM 393 CG ASP A 49 8.809 -1.102 34.731 1.00 15.12 C ATOM 394 OD1 ASP A 49 8.117 -0.660 33.832 1.00 15.57 O ATOM 395 OD2 ASP A 49 9.493 -0.299 35.405 1.00 19.40 O ATOM 0 H ASP A 49 7.235 -2.858 32.827 1.00 14.89 H new ATOM 0 HA ASP A 49 7.391 -4.067 35.282 1.00 13.49 H new ATOM 0 HB2 ASP A 49 8.997 -2.685 36.031 1.00 13.58 H new ATOM 0 HB3 ASP A 49 9.491 -3.038 34.595 1.00 13.58 H new ATOM 396 N ARG A 50 5.242 -2.264 34.444 1.00 11.93 N ATOM 397 CA ARG A 50 4.021 -1.534 34.792 1.00 12.93 C ATOM 398 C ARG A 50 4.170 -0.038 35.038 1.00 11.96 C ATOM 399 O ARG A 50 3.292 0.608 35.674 1.00 13.13 O ATOM 400 CB ARG A 50 3.335 -2.245 35.983 1.00 15.71 C ATOM 401 CG ARG A 50 2.901 -3.690 35.577 1.00 20.05 C ATOM 402 CD ARG A 50 2.255 -4.356 36.710 1.00 22.71 C ATOM 403 NE ARG A 50 1.596 -5.600 36.513 1.00 27.32 N ATOM 404 CZ ARG A 50 0.598 -6.098 35.791 1.00 28.92 C ATOM 405 NH1 ARG A 50 -0.112 -5.441 34.865 1.00 28.65 N ATOM 406 NH2 ARG A 50 0.240 -7.374 36.059 1.00 28.58 N ATOM 0 H ARG A 50 5.242 -2.581 33.645 1.00 11.93 H new ATOM 0 HA ARG A 50 3.463 -1.562 33.999 1.00 12.93 H new ATOM 0 HB2 ARG A 50 3.943 -2.284 36.738 1.00 15.71 H new ATOM 0 HB3 ARG A 50 2.560 -1.736 36.268 1.00 15.71 H new ATOM 0 HG2 ARG A 50 2.291 -3.653 34.823 1.00 20.05 H new ATOM 0 HG3 ARG A 50 3.675 -4.200 35.291 1.00 20.05 H new ATOM 0 HD2 ARG A 50 2.932 -4.491 37.391 1.00 22.71 H new ATOM 0 HD3 ARG A 50 1.604 -3.738 37.077 1.00 22.71 H new ATOM 0 HE ARG A 50 1.947 -6.210 37.007 1.00 27.32 H new ATOM 0 HH11 ARG A 50 0.064 -4.617 34.692 1.00 28.65 H new ATOM 0 HH12 ARG A 50 -0.744 -5.843 34.443 1.00 28.65 H new ATOM 0 HH21 ARG A 50 0.653 -7.817 36.669 1.00 28.58 H new ATOM 0 HH22 ARG A 50 -0.401 -7.742 35.619 1.00 28.58 H new ATOM 407 N SER A 51 5.251 0.538 34.535 1.00 10.21 N ATOM 408 CA SER A 51 5.439 2.016 34.695 1.00 10.18 C ATOM 409 C SER A 51 5.042 2.674 33.373 1.00 10.02 C ATOM 410 O SER A 51 4.858 1.988 32.353 1.00 9.82 O ATOM 411 CB SER A 51 6.898 2.289 35.045 1.00 11.03 C ATOM 412 OG SER A 51 7.759 1.904 33.932 1.00 11.32 O ATOM 0 H SER A 51 5.877 0.129 34.110 1.00 10.21 H new ATOM 0 HA SER A 51 4.890 2.378 35.408 1.00 10.18 H new ATOM 0 HB2 SER A 51 7.019 3.230 35.247 1.00 11.03 H new ATOM 0 HB3 SER A 51 7.145 1.794 35.841 1.00 11.03 H new ATOM 0 HG SER A 51 7.652 1.088 33.764 1.00 11.32 H new ATOM 413 N THR A 52 4.946 4.019 33.407 1.00 9.24 N ATOM 414 CA THR A 52 4.625 4.808 32.214 1.00 8.57 C ATOM 415 C THR A 52 5.598 6.001 32.126 1.00 8.24 C ATOM 416 O THR A 52 5.975 6.540 33.172 1.00 7.61 O ATOM 417 CB THR A 52 3.141 5.358 32.303 1.00 10.04 C ATOM 418 OG1 THR A 52 2.287 4.170 32.382 1.00 10.48 O ATOM 419 CG2 THR A 52 2.720 6.219 31.100 1.00 9.34 C ATOM 0 H THR A 52 5.065 4.488 34.118 1.00 9.24 H new ATOM 0 HA THR A 52 4.708 4.245 31.428 1.00 8.57 H new ATOM 0 HB THR A 52 3.063 5.944 33.072 1.00 10.04 H new ATOM 0 HG1 THR A 52 2.204 3.937 33.185 1.00 10.48 H new ATOM 0 HG21 THR A 52 1.806 6.520 31.221 1.00 9.34 H new ATOM 0 HG22 THR A 52 3.307 6.988 31.031 1.00 9.34 H new ATOM 0 HG23 THR A 52 2.782 5.693 30.288 1.00 9.34 H new ATOM 420 N ASP A 53 5.951 6.327 30.907 1.00 7.98 N ATOM 421 CA ASP A 53 6.840 7.465 30.559 1.00 8.36 C ATOM 422 C ASP A 53 5.901 8.620 30.149 1.00 8.25 C ATOM 423 O ASP A 53 4.968 8.398 29.359 1.00 7.83 O ATOM 424 CB ASP A 53 7.783 7.108 29.426 1.00 9.91 C ATOM 425 CG ASP A 53 8.653 5.892 29.822 1.00 11.63 C ATOM 426 OD1 ASP A 53 9.138 5.877 30.942 1.00 11.20 O ATOM 427 OD2 ASP A 53 8.778 5.048 28.914 1.00 15.20 O ATOM 0 H ASP A 53 5.681 5.889 30.217 1.00 7.98 H new ATOM 0 HA ASP A 53 7.404 7.709 31.309 1.00 8.36 H new ATOM 0 HB2 ASP A 53 7.275 6.904 28.625 1.00 9.91 H new ATOM 0 HB3 ASP A 53 8.350 7.866 29.217 1.00 9.91 H new ATOM 428 N TYR A 54 6.171 9.804 30.716 1.00 7.88 N ATOM 429 CA TYR A 54 5.298 10.940 30.413 1.00 7.54 C ATOM 430 C TYR A 54 5.959 12.208 29.864 1.00 8.37 C ATOM 431 O TYR A 54 6.978 12.676 30.390 1.00 8.62 O ATOM 432 CB TYR A 54 4.664 11.397 31.765 1.00 6.86 C ATOM 433 CG TYR A 54 3.698 10.398 32.373 1.00 7.86 C ATOM 434 CD1 TYR A 54 2.326 10.469 32.074 1.00 9.09 C ATOM 435 CD2 TYR A 54 4.131 9.398 33.261 1.00 9.16 C ATOM 436 CE1 TYR A 54 1.388 9.594 32.641 1.00 9.79 C ATOM 437 CE2 TYR A 54 3.216 8.499 33.835 1.00 9.13 C ATOM 438 CZ TYR A 54 1.859 8.600 33.509 1.00 11.01 C ATOM 439 OH TYR A 54 0.986 7.684 34.101 1.00 11.34 O ATOM 0 H TYR A 54 6.823 9.964 31.253 1.00 7.88 H new ATOM 0 HA TYR A 54 4.700 10.608 29.725 1.00 7.54 H new ATOM 0 HB2 TYR A 54 5.375 11.571 32.401 1.00 6.86 H new ATOM 0 HB3 TYR A 54 4.198 12.236 31.624 1.00 6.86 H new ATOM 0 HD1 TYR A 54 2.030 11.119 31.479 1.00 9.09 H new ATOM 0 HD2 TYR A 54 5.034 9.330 33.471 1.00 9.16 H new ATOM 0 HE1 TYR A 54 0.482 9.671 32.447 1.00 9.79 H new ATOM 0 HE2 TYR A 54 3.509 7.843 34.426 1.00 9.13 H new ATOM 0 HH TYR A 54 1.415 7.183 34.621 1.00 11.34 H new ATOM 440 N GLY A 55 5.253 12.784 28.880 1.00 8.92 N ATOM 441 CA GLY A 55 5.631 14.087 28.336 1.00 7.54 C ATOM 442 C GLY A 55 6.770 14.161 27.380 1.00 7.80 C ATOM 443 O GLY A 55 7.270 13.144 26.825 1.00 7.27 O ATOM 0 H GLY A 55 4.555 12.434 28.518 1.00 8.92 H new ATOM 0 HA2 GLY A 55 4.852 14.458 27.894 1.00 7.54 H new ATOM 0 HA3 GLY A 55 5.837 14.669 29.084 1.00 7.54 H new ATOM 444 N ILE A 56 7.211 15.431 27.241 1.00 6.50 N ATOM 445 CA ILE A 56 8.289 15.695 26.249 1.00 6.24 C ATOM 446 C ILE A 56 9.612 14.998 26.503 1.00 7.24 C ATOM 447 O ILE A 56 10.341 14.721 25.507 1.00 6.34 O ATOM 448 CB ILE A 56 8.402 17.257 26.137 1.00 6.06 C ATOM 449 CG1 ILE A 56 9.123 17.609 24.815 1.00 7.61 C ATOM 450 CG2 ILE A 56 9.017 17.884 27.400 1.00 5.00 C ATOM 451 CD1 ILE A 56 8.801 19.097 24.424 1.00 9.75 C ATOM 0 H ILE A 56 6.924 16.114 27.678 1.00 6.50 H new ATOM 0 HA ILE A 56 8.044 15.296 25.399 1.00 6.24 H new ATOM 0 HB ILE A 56 7.519 17.657 26.095 1.00 6.06 H new ATOM 0 HG12 ILE A 56 10.080 17.491 24.916 1.00 7.61 H new ATOM 0 HG13 ILE A 56 8.836 17.009 24.109 1.00 7.61 H new ATOM 0 HG21 ILE A 56 9.069 18.846 27.291 1.00 5.00 H new ATOM 0 HG22 ILE A 56 8.462 17.676 28.168 1.00 5.00 H new ATOM 0 HG23 ILE A 56 9.908 17.526 27.538 1.00 5.00 H new ATOM 0 HD11 ILE A 56 9.253 19.319 23.595 1.00 9.75 H new ATOM 0 HD12 ILE A 56 7.844 19.201 24.308 1.00 9.75 H new ATOM 0 HD13 ILE A 56 9.108 19.690 25.128 1.00 9.75 H new ATOM 452 N PHE A 57 9.897 14.762 27.785 1.00 6.46 N ATOM 453 CA PHE A 57 11.186 14.114 28.134 1.00 8.54 C ATOM 454 C PHE A 57 10.994 12.630 28.503 1.00 9.32 C ATOM 455 O PHE A 57 11.955 11.958 28.958 1.00 8.46 O ATOM 456 CB PHE A 57 11.887 14.848 29.264 1.00 9.55 C ATOM 457 CG PHE A 57 12.331 16.244 28.948 1.00 12.57 C ATOM 458 CD1 PHE A 57 11.821 17.323 29.697 1.00 13.77 C ATOM 459 CD2 PHE A 57 13.244 16.487 27.918 1.00 12.68 C ATOM 460 CE1 PHE A 57 12.212 18.623 29.453 1.00 14.35 C ATOM 461 CE2 PHE A 57 13.658 17.794 27.654 1.00 14.96 C ATOM 462 CZ PHE A 57 13.136 18.870 28.412 1.00 14.84 C ATOM 0 H PHE A 57 9.387 14.956 28.450 1.00 6.46 H new ATOM 0 HA PHE A 57 11.747 14.159 27.344 1.00 8.54 H new ATOM 0 HB2 PHE A 57 11.290 14.880 30.028 1.00 9.55 H new ATOM 0 HB3 PHE A 57 12.663 14.331 29.532 1.00 9.55 H new ATOM 0 HD1 PHE A 57 11.205 17.154 30.373 1.00 13.77 H new ATOM 0 HD2 PHE A 57 13.574 15.781 27.411 1.00 12.68 H new ATOM 0 HE1 PHE A 57 11.874 19.323 29.963 1.00 14.35 H new ATOM 0 HE2 PHE A 57 14.277 17.958 26.980 1.00 14.96 H new ATOM 0 HZ PHE A 57 13.402 19.741 28.225 1.00 14.84 H new ATOM 463 N GLN A 58 9.755 12.166 28.339 1.00 9.21 N ATOM 464 CA GLN A 58 9.410 10.764 28.692 1.00 9.39 C ATOM 465 C GLN A 58 9.924 10.396 30.085 1.00 9.22 C ATOM 466 O GLN A 58 10.667 9.405 30.252 1.00 9.15 O ATOM 467 CB GLN A 58 9.871 9.812 27.599 1.00 8.03 C ATOM 468 CG GLN A 58 9.064 9.949 26.310 1.00 9.13 C ATOM 469 CD GLN A 58 7.650 9.434 26.424 1.00 10.45 C ATOM 470 OE1 GLN A 58 7.441 8.230 26.213 1.00 10.37 O ATOM 471 NE2 GLN A 58 6.670 10.278 26.761 1.00 8.65 N ATOM 0 H GLN A 58 9.101 12.631 28.030 1.00 9.21 H new ATOM 0 HA GLN A 58 8.445 10.679 28.742 1.00 9.39 H new ATOM 0 HB2 GLN A 58 10.808 9.976 27.407 1.00 8.03 H new ATOM 0 HB3 GLN A 58 9.803 8.900 27.922 1.00 8.03 H new ATOM 0 HG2 GLN A 58 9.040 10.883 26.050 1.00 9.13 H new ATOM 0 HG3 GLN A 58 9.519 9.469 25.600 1.00 9.13 H new ATOM 0 HE21 GLN A 58 6.847 11.108 26.901 1.00 8.65 H new ATOM 0 HE22 GLN A 58 5.863 9.991 26.838 1.00 8.65 H new ATOM 472 N ILE A 59 9.532 11.120 31.106 1.00 8.04 N ATOM 473 CA ILE A 59 9.931 10.874 32.497 1.00 8.98 C ATOM 474 C ILE A 59 9.133 9.700 33.089 1.00 8.91 C ATOM 475 O ILE A 59 7.909 9.697 33.017 1.00 7.77 O ATOM 476 CB ILE A 59 9.733 12.216 33.294 1.00 10.18 C ATOM 477 CG1 ILE A 59 10.735 13.227 32.678 1.00 11.63 C ATOM 478 CG2 ILE A 59 9.913 12.027 34.820 1.00 10.86 C ATOM 479 CD1 ILE A 59 10.661 14.661 33.208 1.00 11.69 C ATOM 0 H ILE A 59 9.007 11.796 31.020 1.00 8.04 H new ATOM 0 HA ILE A 59 10.863 10.612 32.554 1.00 8.98 H new ATOM 0 HB ILE A 59 8.825 12.546 33.210 1.00 10.18 H new ATOM 0 HG12 ILE A 59 11.634 12.894 32.826 1.00 11.63 H new ATOM 0 HG13 ILE A 59 10.595 13.249 31.718 1.00 11.63 H new ATOM 0 HG21 ILE A 59 9.782 12.877 35.269 1.00 10.86 H new ATOM 0 HG22 ILE A 59 9.262 11.386 35.146 1.00 10.86 H new ATOM 0 HG23 ILE A 59 10.808 11.699 35.002 1.00 10.86 H new ATOM 0 HD11 ILE A 59 11.326 15.207 32.759 1.00 11.69 H new ATOM 0 HD12 ILE A 59 9.777 15.024 33.038 1.00 11.69 H new ATOM 0 HD13 ILE A 59 10.833 14.663 34.163 1.00 11.69 H new ATOM 480 N ASN A 60 9.829 8.767 33.695 1.00 8.72 N ATOM 481 CA ASN A 60 9.242 7.554 34.256 1.00 10.18 C ATOM 482 C ASN A 60 8.606 7.661 35.624 1.00 10.36 C ATOM 483 O ASN A 60 9.133 8.228 36.588 1.00 10.54 O ATOM 484 CB ASN A 60 10.283 6.421 34.191 1.00 11.37 C ATOM 485 CG ASN A 60 9.632 5.057 34.399 1.00 12.22 C ATOM 486 OD1 ASN A 60 9.737 4.542 35.507 1.00 13.87 O ATOM 487 ND2 ASN A 60 9.061 4.495 33.343 1.00 12.73 N ATOM 0 H ASN A 60 10.681 8.814 33.799 1.00 8.72 H new ATOM 0 HA ASN A 60 8.473 7.360 33.697 1.00 10.18 H new ATOM 0 HB2 ASN A 60 10.731 6.440 33.331 1.00 11.37 H new ATOM 0 HB3 ASN A 60 10.962 6.564 34.868 1.00 11.37 H new ATOM 0 HD21 ASN A 60 8.726 3.705 33.405 1.00 12.73 H new ATOM 0 HD22 ASN A 60 9.025 4.920 32.596 1.00 12.73 H new ATOM 488 N SER A 61 7.420 7.027 35.669 1.00 10.43 N ATOM 489 CA SER A 61 6.603 7.006 36.888 1.00 11.73 C ATOM 490 C SER A 61 7.205 6.146 37.982 1.00 12.02 C ATOM 491 O SER A 61 6.721 6.322 39.122 1.00 12.53 O ATOM 492 CB SER A 61 5.161 6.540 36.630 1.00 10.22 C ATOM 493 OG SER A 61 5.149 5.197 36.184 1.00 11.27 O ATOM 0 H SER A 61 7.076 6.605 35.003 1.00 10.43 H new ATOM 0 HA SER A 61 6.586 7.929 37.186 1.00 11.73 H new ATOM 0 HB2 SER A 61 4.638 6.622 37.443 1.00 10.22 H new ATOM 0 HB3 SER A 61 4.744 7.111 35.966 1.00 10.22 H new ATOM 0 HG SER A 61 4.648 4.741 36.681 1.00 11.27 H new ATOM 494 N ARG A 62 8.170 5.272 37.688 1.00 12.91 N ATOM 495 CA ARG A 62 8.681 4.480 38.838 1.00 14.12 C ATOM 496 C ARG A 62 9.416 5.362 39.839 1.00 14.94 C ATOM 497 O ARG A 62 9.366 5.082 41.057 1.00 15.18 O ATOM 498 CB ARG A 62 9.555 3.321 38.401 1.00 16.34 C ATOM 499 CG ARG A 62 10.100 2.481 39.580 1.00 18.56 C ATOM 500 CD ARG A 62 10.518 1.128 39.057 1.00 21.33 C ATOM 501 NE ARG A 62 9.368 0.363 38.537 1.00 23.01 N ATOM 502 CZ ARG A 62 8.403 -0.125 39.348 1.00 22.60 C ATOM 503 NH1 ARG A 62 8.461 -0.037 40.669 1.00 21.35 N ATOM 504 NH2 ARG A 62 7.302 -0.632 38.770 1.00 22.16 N ATOM 0 H ARG A 62 8.520 5.123 36.917 1.00 12.91 H new ATOM 0 HA ARG A 62 7.903 4.103 39.278 1.00 14.12 H new ATOM 0 HB2 ARG A 62 9.044 2.745 37.811 1.00 16.34 H new ATOM 0 HB3 ARG A 62 10.301 3.664 37.886 1.00 16.34 H new ATOM 0 HG2 ARG A 62 10.854 2.930 39.992 1.00 18.56 H new ATOM 0 HG3 ARG A 62 9.420 2.382 40.265 1.00 18.56 H new ATOM 0 HD2 ARG A 62 11.176 1.242 38.353 1.00 21.33 H new ATOM 0 HD3 ARG A 62 10.947 0.625 39.767 1.00 21.33 H new ATOM 0 HE ARG A 62 9.310 0.223 37.690 1.00 23.01 H new ATOM 0 HH11 ARG A 62 9.134 0.344 41.045 1.00 21.35 H new ATOM 0 HH12 ARG A 62 7.826 -0.361 41.150 1.00 21.35 H new ATOM 0 HH21 ARG A 62 7.230 -0.638 37.913 1.00 22.16 H new ATOM 0 HH22 ARG A 62 6.669 -0.951 39.257 1.00 22.16 H new ATOM 505 N TYR A 63 10.074 6.439 39.397 1.00 14.47 N ATOM 506 CA TYR A 63 10.853 7.257 40.311 1.00 15.37 C ATOM 507 C TYR A 63 10.552 8.729 40.456 1.00 14.79 C ATOM 508 O TYR A 63 10.858 9.311 41.511 1.00 14.17 O ATOM 509 CB TYR A 63 12.361 7.273 39.774 1.00 19.68 C ATOM 510 CG TYR A 63 12.843 5.880 39.451 1.00 23.06 C ATOM 511 CD1 TYR A 63 12.919 5.429 38.140 1.00 24.04 C ATOM 512 CD2 TYR A 63 13.141 4.989 40.489 1.00 25.05 C ATOM 513 CE1 TYR A 63 13.313 4.125 37.855 1.00 26.11 C ATOM 514 CE2 TYR A 63 13.543 3.673 40.221 1.00 26.21 C ATOM 515 CZ TYR A 63 13.621 3.268 38.903 1.00 26.95 C ATOM 516 OH TYR A 63 14.003 1.975 38.641 1.00 30.77 O ATOM 0 H TYR A 63 10.078 6.705 38.579 1.00 14.47 H new ATOM 0 HA TYR A 63 10.650 6.842 41.164 1.00 15.37 H new ATOM 0 HB2 TYR A 63 12.418 7.829 38.981 1.00 19.68 H new ATOM 0 HB3 TYR A 63 12.940 7.671 40.442 1.00 19.68 H new ATOM 0 HD1 TYR A 63 12.704 6.006 37.443 1.00 24.04 H new ATOM 0 HD2 TYR A 63 13.071 5.275 41.371 1.00 25.05 H new ATOM 0 HE1 TYR A 63 13.369 3.832 36.974 1.00 26.11 H new ATOM 0 HE2 TYR A 63 13.752 3.088 40.913 1.00 26.21 H new ATOM 0 HH TYR A 63 14.158 1.576 39.364 1.00 30.77 H new ATOM 517 N TRP A 64 10.047 9.285 39.347 1.00 13.11 N ATOM 518 CA TRP A 64 9.879 10.737 39.277 1.00 11.67 C ATOM 519 C TRP A 64 8.558 11.405 39.478 1.00 11.57 C ATOM 520 O TRP A 64 8.597 12.573 39.967 1.00 10.94 O ATOM 521 CB TRP A 64 10.511 11.180 37.911 1.00 11.07 C ATOM 522 CG TRP A 64 11.853 10.541 37.723 1.00 13.13 C ATOM 523 CD1 TRP A 64 12.160 9.500 36.889 1.00 14.52 C ATOM 524 CD2 TRP A 64 13.050 10.839 38.451 1.00 13.01 C ATOM 525 NE1 TRP A 64 13.484 9.159 37.029 1.00 15.18 N ATOM 526 CE2 TRP A 64 14.051 9.981 37.970 1.00 14.09 C ATOM 527 CE3 TRP A 64 13.355 11.779 39.431 1.00 13.53 C ATOM 528 CZ2 TRP A 64 15.364 10.003 38.455 1.00 14.83 C ATOM 529 CZ3 TRP A 64 14.673 11.816 39.906 1.00 15.86 C ATOM 530 CH2 TRP A 64 15.660 10.931 39.443 1.00 14.20 C ATOM 0 H TRP A 64 9.803 8.852 38.645 1.00 13.11 H new ATOM 0 HA TRP A 64 10.311 11.047 40.088 1.00 11.67 H new ATOM 0 HB2 TRP A 64 9.923 10.932 37.181 1.00 11.07 H new ATOM 0 HB3 TRP A 64 10.600 12.146 37.888 1.00 11.07 H new ATOM 0 HD1 TRP A 64 11.561 9.084 36.312 1.00 14.52 H new ATOM 0 HE1 TRP A 64 13.889 8.535 36.599 1.00 15.18 H new ATOM 0 HE3 TRP A 64 12.708 12.361 39.759 1.00 13.53 H new ATOM 0 HZ2 TRP A 64 16.011 9.420 38.129 1.00 14.83 H new ATOM 0 HZ3 TRP A 64 14.902 12.448 40.549 1.00 15.86 H new ATOM 0 HH2 TRP A 64 16.518 10.967 39.801 1.00 14.20 H new ATOM 531 N CYS A 65 7.457 10.767 39.082 1.00 11.26 N ATOM 532 CA CYS A 65 6.154 11.470 39.292 1.00 10.60 C ATOM 533 C CYS A 65 5.189 10.430 39.820 1.00 10.40 C ATOM 534 O CYS A 65 5.479 9.244 39.615 1.00 11.27 O ATOM 535 CB CYS A 65 5.686 12.114 37.976 1.00 9.23 C ATOM 536 SG CYS A 65 5.419 10.908 36.637 1.00 8.77 S ATOM 0 H CYS A 65 7.421 9.989 38.717 1.00 11.26 H new ATOM 0 HA CYS A 65 6.223 12.198 39.930 1.00 10.60 H new ATOM 0 HB2 CYS A 65 4.861 12.598 38.136 1.00 9.23 H new ATOM 0 HB3 CYS A 65 6.346 12.765 37.689 1.00 9.23 H new ATOM 537 N ASN A 66 4.101 10.871 40.436 1.00 9.98 N ATOM 538 CA ASN A 66 3.132 9.857 40.928 1.00 9.74 C ATOM 539 C ASN A 66 1.967 9.662 39.952 1.00 8.99 C ATOM 540 O ASN A 66 1.325 10.660 39.609 1.00 7.11 O ATOM 541 CB ASN A 66 2.629 10.270 42.314 1.00 9.89 C ATOM 542 CG ASN A 66 1.680 9.213 42.875 1.00 12.87 C ATOM 543 OD1 ASN A 66 1.988 8.008 42.748 1.00 12.66 O ATOM 544 ND2 ASN A 66 0.548 9.681 43.423 1.00 10.59 N ATOM 0 H ASN A 66 3.899 11.694 40.580 1.00 9.98 H new ATOM 0 HA ASN A 66 3.585 9.002 40.993 1.00 9.74 H new ATOM 0 HB2 ASN A 66 3.381 10.389 42.915 1.00 9.89 H new ATOM 0 HB3 ASN A 66 2.173 11.124 42.257 1.00 9.89 H new ATOM 0 HD21 ASN A 66 -0.042 9.133 43.725 1.00 10.59 H new ATOM 0 HD22 ASN A 66 0.413 10.529 43.472 1.00 10.59 H new ATOM 545 N ASP A 67 1.679 8.413 39.585 1.00 8.75 N ATOM 546 CA ASP A 67 0.496 8.141 38.753 1.00 9.22 C ATOM 547 C ASP A 67 -0.412 7.146 39.546 1.00 10.38 C ATOM 548 O ASP A 67 -1.482 6.736 39.070 1.00 10.07 O ATOM 549 CB ASP A 67 0.721 7.746 37.327 1.00 8.30 C ATOM 550 CG ASP A 67 1.488 6.431 37.225 1.00 8.54 C ATOM 551 OD1 ASP A 67 1.847 5.804 38.244 1.00 10.01 O ATOM 552 OD2 ASP A 67 1.732 6.105 36.060 1.00 9.10 O ATOM 0 H ASP A 67 2.142 7.720 39.799 1.00 8.75 H new ATOM 0 HA ASP A 67 0.052 8.992 38.610 1.00 9.22 H new ATOM 0 HB2 ASP A 67 -0.133 7.660 36.875 1.00 8.30 H new ATOM 0 HB3 ASP A 67 1.214 8.446 36.870 1.00 8.30 H new ATOM 553 N GLY A 68 0.006 6.797 40.758 1.00 11.04 N ATOM 554 CA GLY A 68 -0.750 5.911 41.618 1.00 13.35 C ATOM 555 C GLY A 68 -0.826 4.462 41.206 1.00 14.31 C ATOM 556 O GLY A 68 -0.989 3.614 42.105 1.00 16.00 O ATOM 0 H GLY A 68 0.744 7.073 41.103 1.00 11.04 H new ATOM 0 HA2 GLY A 68 -0.365 5.952 42.507 1.00 13.35 H new ATOM 0 HA3 GLY A 68 -1.655 6.254 41.684 1.00 13.35 H new ATOM 557 N LYS A 69 -0.681 4.147 39.936 1.00 13.80 N ATOM 558 CA LYS A 69 -0.811 2.768 39.469 1.00 13.85 C ATOM 559 C LYS A 69 0.522 2.085 39.264 1.00 14.07 C ATOM 560 O LYS A 69 0.507 0.922 38.803 1.00 15.10 O ATOM 561 CB LYS A 69 -1.648 2.696 38.199 1.00 13.12 C ATOM 562 CG LYS A 69 -1.031 3.429 37.026 1.00 11.98 C ATOM 563 CD LYS A 69 -1.854 3.207 35.766 1.00 14.46 C ATOM 564 CE LYS A 69 -1.212 3.971 34.638 1.00 16.66 C ATOM 565 NZ LYS A 69 -2.166 4.347 33.561 1.00 21.39 N ATOM 0 H LYS A 69 -0.505 4.717 39.317 1.00 13.80 H new ATOM 0 HA LYS A 69 -1.268 2.285 40.175 1.00 13.85 H new ATOM 0 HB2 LYS A 69 -1.777 1.765 37.958 1.00 13.12 H new ATOM 0 HB3 LYS A 69 -2.526 3.067 38.378 1.00 13.12 H new ATOM 0 HG2 LYS A 69 -0.979 4.378 37.222 1.00 11.98 H new ATOM 0 HG3 LYS A 69 -0.123 3.118 36.885 1.00 11.98 H new ATOM 0 HD2 LYS A 69 -1.896 2.262 35.552 1.00 14.46 H new ATOM 0 HD3 LYS A 69 -2.766 3.508 35.901 1.00 14.46 H new ATOM 0 HE2 LYS A 69 -0.802 4.775 34.993 1.00 16.66 H new ATOM 0 HE3 LYS A 69 -0.500 3.434 34.257 1.00 16.66 H new ATOM 0 HZ1 LYS A 69 -2.003 5.181 33.297 1.00 21.39 H new ATOM 0 HZ2 LYS A 69 -2.068 3.794 32.871 1.00 21.39 H new ATOM 0 HZ3 LYS A 69 -2.999 4.291 33.869 1.00 21.39 H new ATOM 566 N THR A 70 1.630 2.728 39.566 1.00 12.79 N ATOM 567 CA THR A 70 2.913 1.998 39.386 1.00 14.27 C ATOM 568 C THR A 70 3.287 1.385 40.734 1.00 14.49 C ATOM 569 O THR A 70 3.348 2.106 41.737 1.00 14.69 O ATOM 570 CB THR A 70 4.055 2.988 38.893 1.00 13.86 C ATOM 571 OG1 THR A 70 3.497 3.713 37.747 1.00 11.64 O ATOM 572 CG2 THR A 70 5.350 2.204 38.626 1.00 13.31 C ATOM 0 H THR A 70 1.685 3.535 39.859 1.00 12.79 H new ATOM 0 HA THR A 70 2.815 1.307 38.713 1.00 14.27 H new ATOM 0 HB THR A 70 4.319 3.645 39.557 1.00 13.86 H new ATOM 0 HG1 THR A 70 3.009 4.339 38.022 1.00 11.64 H new ATOM 0 HG21 THR A 70 6.042 2.814 38.326 1.00 13.31 H new ATOM 0 HG22 THR A 70 5.638 1.766 39.442 1.00 13.31 H new ATOM 0 HG23 THR A 70 5.189 1.536 37.941 1.00 13.31 H new ATOM 573 N PRO A 71 3.537 0.092 40.772 1.00 15.93 N ATOM 574 CA PRO A 71 3.899 -0.553 42.037 1.00 16.57 C ATOM 575 C PRO A 71 5.300 -0.179 42.473 1.00 17.26 C ATOM 576 O PRO A 71 6.250 -0.103 41.664 1.00 17.81 O ATOM 577 CB PRO A 71 3.797 -2.043 41.773 1.00 16.39 C ATOM 578 CG PRO A 71 3.634 -2.225 40.299 1.00 17.46 C ATOM 579 CD PRO A 71 3.482 -0.844 39.642 1.00 16.84 C ATOM 0 HA PRO A 71 3.313 -0.270 42.756 1.00 16.57 H new ATOM 0 HB2 PRO A 71 4.592 -2.501 42.088 1.00 16.39 H new ATOM 0 HB3 PRO A 71 3.043 -2.424 42.250 1.00 16.39 H new ATOM 0 HG2 PRO A 71 4.402 -2.689 39.931 1.00 17.46 H new ATOM 0 HG3 PRO A 71 2.856 -2.773 40.112 1.00 17.46 H new ATOM 0 HD2 PRO A 71 4.193 -0.674 39.004 1.00 16.84 H new ATOM 0 HD3 PRO A 71 2.644 -0.770 39.159 1.00 16.84 H new ATOM 580 N GLY A 72 5.403 0.010 43.774 1.00 18.70 N ATOM 581 CA GLY A 72 6.617 0.331 44.517 1.00 18.88 C ATOM 582 C GLY A 72 7.332 1.572 44.032 1.00 19.32 C ATOM 583 O GLY A 72 8.551 1.734 44.200 1.00 21.87 O ATOM 0 H GLY A 72 4.717 -0.049 44.289 1.00 18.70 H new ATOM 0 HA2 GLY A 72 6.390 0.446 45.453 1.00 18.88 H new ATOM 0 HA3 GLY A 72 7.226 -0.422 44.463 1.00 18.88 H new ATOM 584 N ALA A 73 6.619 2.505 43.454 1.00 18.71 N ATOM 585 CA ALA A 73 7.210 3.731 42.908 1.00 17.57 C ATOM 586 C ALA A 73 7.374 4.849 43.919 1.00 16.63 C ATOM 587 O ALA A 73 6.724 4.843 44.982 1.00 16.04 O ATOM 588 CB ALA A 73 6.344 4.181 41.715 1.00 18.36 C ATOM 0 H ALA A 73 5.766 2.458 43.359 1.00 18.71 H new ATOM 0 HA ALA A 73 8.116 3.527 42.628 1.00 17.57 H new ATOM 0 HB1 ALA A 73 6.714 4.993 41.334 1.00 18.36 H new ATOM 0 HB2 ALA A 73 6.334 3.484 41.041 1.00 18.36 H new ATOM 0 HB3 ALA A 73 5.438 4.350 42.018 1.00 18.36 H new ATOM 589 N VAL A 74 8.238 5.775 43.526 1.00 14.38 N ATOM 590 CA VAL A 74 8.492 6.980 44.333 1.00 14.81 C ATOM 591 C VAL A 74 8.145 8.182 43.427 1.00 13.88 C ATOM 592 O VAL A 74 7.880 7.970 42.233 1.00 13.61 O ATOM 593 CB VAL A 74 9.881 7.037 44.983 1.00 15.18 C ATOM 594 CG1 VAL A 74 9.919 5.984 46.118 1.00 16.83 C ATOM 595 CG2 VAL A 74 11.019 6.772 44.020 1.00 15.70 C ATOM 0 H VAL A 74 8.691 5.732 42.797 1.00 14.38 H new ATOM 0 HA VAL A 74 7.928 6.983 45.122 1.00 14.81 H new ATOM 0 HB VAL A 74 10.012 7.940 45.314 1.00 15.18 H new ATOM 0 HG11 VAL A 74 10.789 6.000 46.546 1.00 16.83 H new ATOM 0 HG12 VAL A 74 9.233 6.189 46.773 1.00 16.83 H new ATOM 0 HG13 VAL A 74 9.758 5.102 45.747 1.00 16.83 H new ATOM 0 HG21 VAL A 74 11.863 6.823 44.495 1.00 15.70 H new ATOM 0 HG22 VAL A 74 10.918 5.887 43.635 1.00 15.70 H new ATOM 0 HG23 VAL A 74 11.006 7.435 43.312 1.00 15.70 H new ATOM 596 N ASN A 75 8.181 9.342 44.028 1.00 13.00 N ATOM 597 CA ASN A 75 7.826 10.587 43.289 1.00 12.87 C ATOM 598 C ASN A 75 8.856 11.663 43.623 1.00 13.02 C ATOM 599 O ASN A 75 8.547 12.666 44.310 1.00 13.79 O ATOM 600 CB ASN A 75 6.386 10.897 43.743 1.00 13.05 C ATOM 601 CG ASN A 75 5.860 12.236 43.264 1.00 13.48 C ATOM 602 OD1 ASN A 75 6.416 12.844 42.327 1.00 13.49 O ATOM 603 ND2 ASN A 75 4.783 12.710 43.888 1.00 13.51 N ATOM 0 H ASN A 75 8.402 9.459 44.851 1.00 13.00 H new ATOM 0 HA ASN A 75 7.846 10.519 42.322 1.00 12.87 H new ATOM 0 HB2 ASN A 75 5.798 10.196 43.422 1.00 13.05 H new ATOM 0 HB3 ASN A 75 6.351 10.875 44.712 1.00 13.05 H new ATOM 0 HD21 ASN A 75 4.444 13.463 43.649 1.00 13.51 H new ATOM 0 HD22 ASN A 75 4.426 12.263 44.530 1.00 13.51 H new ATOM 604 N ALA A 76 10.087 11.452 43.170 1.00 12.85 N ATOM 605 CA ALA A 76 11.167 12.400 43.484 1.00 13.22 C ATOM 606 C ALA A 76 10.854 13.811 43.056 1.00 14.24 C ATOM 607 O ALA A 76 11.317 14.761 43.762 1.00 14.29 O ATOM 608 CB ALA A 76 12.518 11.894 42.991 1.00 11.85 C ATOM 0 H ALA A 76 10.322 10.780 42.687 1.00 12.85 H new ATOM 0 HA ALA A 76 11.233 12.447 44.451 1.00 13.22 H new ATOM 0 HB1 ALA A 76 13.206 12.540 43.213 1.00 11.85 H new ATOM 0 HB2 ALA A 76 12.721 11.046 43.417 1.00 11.85 H new ATOM 0 HB3 ALA A 76 12.487 11.773 42.029 1.00 11.85 H new ATOM 609 N CYS A 77 10.131 14.014 41.943 1.00 14.20 N ATOM 610 CA CYS A 77 9.835 15.418 41.546 1.00 13.83 C ATOM 611 C CYS A 77 8.664 15.977 42.359 1.00 14.10 C ATOM 612 O CYS A 77 8.386 17.189 42.230 1.00 13.91 O ATOM 613 CB CYS A 77 9.585 15.529 40.048 1.00 12.75 C ATOM 614 SG CYS A 77 11.014 15.064 39.031 1.00 10.24 S ATOM 0 H CYS A 77 9.817 13.401 41.428 1.00 14.20 H new ATOM 0 HA CYS A 77 10.616 15.958 41.745 1.00 13.83 H new ATOM 0 HB2 CYS A 77 8.833 14.964 39.811 1.00 12.75 H new ATOM 0 HB3 CYS A 77 9.332 16.441 39.838 1.00 12.75 H new ATOM 615 N HIS A 78 8.025 15.155 43.154 1.00 13.92 N ATOM 616 CA HIS A 78 6.882 15.669 43.934 1.00 16.00 C ATOM 617 C HIS A 78 5.817 16.280 43.024 1.00 15.73 C ATOM 618 O HIS A 78 5.334 17.415 43.214 1.00 15.24 O ATOM 619 CB HIS A 78 7.322 16.773 44.944 1.00 22.31 C ATOM 620 CG HIS A 78 8.447 16.267 45.802 1.00 25.74 C ATOM 621 ND1 HIS A 78 9.595 17.006 46.070 1.00 28.48 N ATOM 622 CD2 HIS A 78 8.570 15.062 46.426 1.00 26.64 C ATOM 623 CE1 HIS A 78 10.378 16.262 46.847 1.00 28.08 C ATOM 624 NE2 HIS A 78 9.785 15.088 47.060 1.00 29.41 N ATOM 0 H HIS A 78 8.213 14.323 43.268 1.00 13.92 H new ATOM 0 HA HIS A 78 6.521 14.906 44.412 1.00 16.00 H new ATOM 0 HB2 HIS A 78 7.604 17.567 44.464 1.00 22.31 H new ATOM 0 HB3 HIS A 78 6.571 17.030 45.501 1.00 22.31 H new ATOM 0 HD2 HIS A 78 7.955 14.364 46.422 1.00 26.64 H new ATOM 0 HE1 HIS A 78 11.205 16.520 47.186 1.00 28.08 H new ATOM 0 HE2 HIS A 78 10.115 14.444 47.525 1.00 29.41 H new ATOM 625 N LEU A 79 5.411 15.501 42.016 1.00 14.28 N ATOM 626 CA LEU A 79 4.364 15.980 41.100 1.00 14.05 C ATOM 627 C LEU A 79 3.448 14.807 40.710 1.00 12.17 C ATOM 628 O LEU A 79 3.886 13.660 40.709 1.00 11.83 O ATOM 629 CB LEU A 79 5.021 16.398 39.764 1.00 15.23 C ATOM 630 CG LEU A 79 5.911 17.590 39.612 1.00 16.46 C ATOM 631 CD1 LEU A 79 6.490 17.613 38.176 1.00 16.04 C ATOM 632 CD2 LEU A 79 5.054 18.844 39.821 1.00 16.13 C ATOM 0 H LEU A 79 5.717 14.715 41.847 1.00 14.28 H new ATOM 0 HA LEU A 79 3.886 16.702 41.537 1.00 14.05 H new ATOM 0 HB2 LEU A 79 5.537 15.633 39.464 1.00 15.23 H new ATOM 0 HB3 LEU A 79 4.296 16.517 39.130 1.00 15.23 H new ATOM 0 HG LEU A 79 6.637 17.557 40.254 1.00 16.46 H new ATOM 0 HD11 LEU A 79 7.068 18.385 38.072 1.00 16.04 H new ATOM 0 HD12 LEU A 79 7.001 16.803 38.020 1.00 16.04 H new ATOM 0 HD13 LEU A 79 5.764 17.665 37.535 1.00 16.04 H new ATOM 0 HD21 LEU A 79 5.608 19.634 39.728 1.00 16.13 H new ATOM 0 HD22 LEU A 79 4.346 18.866 39.159 1.00 16.13 H new ATOM 0 HD23 LEU A 79 4.665 18.826 40.709 1.00 16.13 H new ATOM 633 N SER A 80 2.266 15.216 40.298 1.00 10.39 N ATOM 634 CA SER A 80 1.336 14.209 39.713 1.00 9.66 C ATOM 635 C SER A 80 1.939 14.036 38.291 1.00 9.53 C ATOM 636 O SER A 80 2.445 15.018 37.704 1.00 8.06 O ATOM 637 CB SER A 80 -0.061 14.802 39.539 1.00 9.29 C ATOM 638 OG SER A 80 -0.753 14.039 38.567 1.00 11.58 O ATOM 0 H SER A 80 1.973 16.024 40.335 1.00 10.39 H new ATOM 0 HA SER A 80 1.254 13.405 40.250 1.00 9.66 H new ATOM 0 HB2 SER A 80 -0.540 14.789 40.382 1.00 9.29 H new ATOM 0 HB3 SER A 80 -0.002 15.729 39.261 1.00 9.29 H new ATOM 0 HG SER A 80 -1.525 14.353 38.462 1.00 11.58 H new ATOM 639 N CYS A 81 1.919 12.817 37.761 1.00 9.55 N ATOM 640 CA CYS A 81 2.425 12.627 36.393 1.00 8.13 C ATOM 641 C CYS A 81 1.601 13.491 35.425 1.00 8.45 C ATOM 642 O CYS A 81 2.114 13.824 34.342 1.00 8.24 O ATOM 643 CB CYS A 81 2.419 11.154 35.992 1.00 8.86 C ATOM 644 SG CYS A 81 3.555 10.180 37.028 1.00 7.67 S ATOM 0 H CYS A 81 1.630 12.109 38.153 1.00 9.55 H new ATOM 0 HA CYS A 81 3.351 12.914 36.354 1.00 8.13 H new ATOM 0 HB2 CYS A 81 1.520 10.799 36.072 1.00 8.86 H new ATOM 0 HB3 CYS A 81 2.675 11.070 35.060 1.00 8.86 H new ATOM 645 N SER A 82 0.376 13.811 35.739 1.00 8.22 N ATOM 646 CA SER A 82 -0.480 14.658 34.887 1.00 8.31 C ATOM 647 C SER A 82 0.245 15.970 34.574 1.00 8.34 C ATOM 648 O SER A 82 0.068 16.538 33.480 1.00 8.31 O ATOM 649 CB SER A 82 -1.773 15.031 35.628 1.00 10.01 C ATOM 650 OG SER A 82 -2.636 15.840 34.813 1.00 11.96 O ATOM 0 H SER A 82 -0.008 13.548 36.462 1.00 8.22 H new ATOM 0 HA SER A 82 -0.680 14.161 34.078 1.00 8.31 H new ATOM 0 HB2 SER A 82 -2.240 14.223 35.892 1.00 10.01 H new ATOM 0 HB3 SER A 82 -1.553 15.510 36.442 1.00 10.01 H new ATOM 0 HG SER A 82 -2.475 16.652 34.955 1.00 11.96 H new ATOM 651 N ALA A 83 1.016 16.432 35.528 1.00 8.32 N ATOM 652 CA ALA A 83 1.754 17.699 35.371 1.00 9.35 C ATOM 653 C ALA A 83 2.700 17.684 34.176 1.00 10.10 C ATOM 654 O ALA A 83 3.050 18.772 33.664 1.00 11.14 O ATOM 655 CB ALA A 83 2.551 18.047 36.632 1.00 8.24 C ATOM 0 H ALA A 83 1.137 16.039 36.283 1.00 8.32 H new ATOM 0 HA ALA A 83 1.078 18.377 35.217 1.00 9.35 H new ATOM 0 HB1 ALA A 83 3.023 18.883 36.496 1.00 8.24 H new ATOM 0 HB2 ALA A 83 1.945 18.137 37.384 1.00 8.24 H new ATOM 0 HB3 ALA A 83 3.190 17.341 36.816 1.00 8.24 H new ATOM 656 N LEU A 84 3.128 16.521 33.765 1.00 10.08 N ATOM 657 CA LEU A 84 4.075 16.310 32.675 1.00 10.42 C ATOM 658 C LEU A 84 3.412 16.185 31.313 1.00 10.86 C ATOM 659 O LEU A 84 4.111 15.910 30.309 1.00 10.20 O ATOM 660 CB LEU A 84 4.962 15.082 33.017 1.00 10.40 C ATOM 661 CG LEU A 84 5.687 15.136 34.361 1.00 12.00 C ATOM 662 CD1 LEU A 84 6.489 13.850 34.573 1.00 11.57 C ATOM 663 CD2 LEU A 84 6.582 16.370 34.399 1.00 12.05 C ATOM 0 H LEU A 84 2.868 15.785 34.125 1.00 10.08 H new ATOM 0 HA LEU A 84 4.632 17.100 32.598 1.00 10.42 H new ATOM 0 HB2 LEU A 84 4.405 14.288 33.001 1.00 10.40 H new ATOM 0 HB3 LEU A 84 5.624 14.978 32.316 1.00 10.40 H new ATOM 0 HG LEU A 84 5.044 15.203 35.084 1.00 12.00 H new ATOM 0 HD11 LEU A 84 6.946 13.891 35.427 1.00 11.57 H new ATOM 0 HD12 LEU A 84 5.888 13.089 34.564 1.00 11.57 H new ATOM 0 HD13 LEU A 84 7.141 13.754 33.862 1.00 11.57 H new ATOM 0 HD21 LEU A 84 7.044 16.408 35.251 1.00 12.05 H new ATOM 0 HD22 LEU A 84 7.232 16.321 33.681 1.00 12.05 H new ATOM 0 HD23 LEU A 84 6.040 17.167 34.290 1.00 12.05 H new ATOM 664 N LEU A 85 2.098 16.393 31.282 1.00 9.65 N ATOM 665 CA LEU A 85 1.381 16.316 30.006 1.00 9.46 C ATOM 666 C LEU A 85 0.832 17.711 29.654 1.00 9.36 C ATOM 667 O LEU A 85 0.033 17.778 28.703 1.00 9.85 O ATOM 668 CB LEU A 85 0.259 15.271 30.028 1.00 9.31 C ATOM 669 CG LEU A 85 0.679 13.836 30.397 1.00 8.87 C ATOM 670 CD1 LEU A 85 -0.525 12.908 30.479 1.00 9.56 C ATOM 671 CD2 LEU A 85 1.651 13.350 29.326 1.00 9.45 C ATOM 0 H LEU A 85 1.612 16.575 31.967 1.00 9.65 H new ATOM 0 HA LEU A 85 2.005 16.027 29.322 1.00 9.46 H new ATOM 0 HB2 LEU A 85 -0.418 15.563 30.658 1.00 9.31 H new ATOM 0 HB3 LEU A 85 -0.158 15.252 29.152 1.00 9.31 H new ATOM 0 HG LEU A 85 1.099 13.832 31.271 1.00 8.87 H new ATOM 0 HD11 LEU A 85 -0.230 12.014 30.712 1.00 9.56 H new ATOM 0 HD12 LEU A 85 -1.138 13.233 31.157 1.00 9.56 H new ATOM 0 HD13 LEU A 85 -0.975 12.885 29.620 1.00 9.56 H new ATOM 0 HD21 LEU A 85 1.934 12.445 29.532 1.00 9.45 H new ATOM 0 HD22 LEU A 85 1.212 13.362 28.461 1.00 9.45 H new ATOM 0 HD23 LEU A 85 2.426 13.933 29.303 1.00 9.45 H new ATOM 672 N GLN A 86 1.230 18.728 30.369 1.00 9.96 N ATOM 673 CA GLN A 86 0.707 20.092 30.033 1.00 10.35 C ATOM 674 C GLN A 86 1.410 20.648 28.809 1.00 12.12 C ATOM 675 O GLN A 86 2.520 20.183 28.471 1.00 11.73 O ATOM 676 CB GLN A 86 0.984 21.046 31.215 1.00 11.98 C ATOM 677 CG GLN A 86 0.297 20.650 32.530 1.00 12.64 C ATOM 678 CD GLN A 86 0.726 21.550 33.673 1.00 14.76 C ATOM 679 OE1 GLN A 86 0.173 22.647 33.870 1.00 15.47 O ATOM 680 NE2 GLN A 86 1.735 21.144 34.447 1.00 14.08 N ATOM 0 H GLN A 86 1.777 18.689 31.031 1.00 9.96 H new ATOM 0 HA GLN A 86 -0.244 20.021 29.858 1.00 10.35 H new ATOM 0 HB2 GLN A 86 1.942 21.088 31.364 1.00 11.98 H new ATOM 0 HB3 GLN A 86 0.696 21.939 30.969 1.00 11.98 H new ATOM 0 HG2 GLN A 86 -0.666 20.699 32.421 1.00 12.64 H new ATOM 0 HG3 GLN A 86 0.511 19.729 32.744 1.00 12.64 H new ATOM 0 HE21 GLN A 86 2.110 20.384 34.301 1.00 14.08 H new ATOM 0 HE22 GLN A 86 2.010 21.643 35.091 1.00 14.08 H new ATOM 681 N ASP A 87 0.796 21.625 28.133 1.00 11.37 N ATOM 682 CA ASP A 87 1.412 22.316 26.992 1.00 12.39 C ATOM 683 C ASP A 87 2.563 23.184 27.561 1.00 12.05 C ATOM 684 O ASP A 87 3.555 23.361 26.856 1.00 13.66 O ATOM 685 CB ASP A 87 0.415 23.174 26.199 1.00 12.69 C ATOM 686 CG ASP A 87 -0.478 22.386 25.240 1.00 14.82 C ATOM 687 OD1 ASP A 87 -0.421 21.156 25.057 1.00 12.24 O ATOM 688 OD2 ASP A 87 -1.287 23.104 24.584 1.00 14.81 O ATOM 0 H ASP A 87 0.006 21.907 28.324 1.00 11.37 H new ATOM 0 HA ASP A 87 1.741 21.660 26.358 1.00 12.39 H new ATOM 0 HB2 ASP A 87 -0.148 23.656 26.824 1.00 12.69 H new ATOM 0 HB3 ASP A 87 0.909 23.837 25.692 1.00 12.69 H new ATOM 689 N ASN A 88 2.406 23.725 28.756 1.00 11.76 N ATOM 690 CA ASN A 88 3.453 24.573 29.368 1.00 12.48 C ATOM 691 C ASN A 88 4.469 23.576 29.959 1.00 11.70 C ATOM 692 O ASN A 88 3.999 22.778 30.781 1.00 11.21 O ATOM 693 CB ASN A 88 2.906 25.511 30.428 1.00 16.10 C ATOM 694 CG ASN A 88 4.008 26.338 31.106 1.00 18.05 C ATOM 695 OD1 ASN A 88 4.749 25.858 31.935 1.00 18.33 O ATOM 696 ND2 ASN A 88 4.158 27.618 30.754 1.00 21.46 N ATOM 0 H ASN A 88 1.704 23.621 29.242 1.00 11.76 H new ATOM 0 HA ASN A 88 3.854 25.164 28.712 1.00 12.48 H new ATOM 0 HB2 ASN A 88 2.259 26.110 30.023 1.00 16.10 H new ATOM 0 HB3 ASN A 88 2.433 24.995 31.100 1.00 16.10 H new ATOM 0 HD21 ASN A 88 4.777 28.094 31.115 1.00 21.46 H new ATOM 0 HD22 ASN A 88 3.636 27.966 30.166 1.00 21.46 H new ATOM 697 N ILE A 89 5.733 23.657 29.567 1.00 10.96 N ATOM 698 CA ILE A 89 6.718 22.668 30.076 1.00 10.59 C ATOM 699 C ILE A 89 7.492 23.053 31.324 1.00 9.96 C ATOM 700 O ILE A 89 8.442 22.301 31.666 1.00 8.65 O ATOM 701 CB ILE A 89 7.693 22.285 28.906 1.00 11.30 C ATOM 702 CG1 ILE A 89 8.538 23.527 28.510 1.00 10.90 C ATOM 703 CG2 ILE A 89 6.910 21.681 27.712 1.00 12.42 C ATOM 704 CD1 ILE A 89 9.612 23.208 27.416 1.00 13.89 C ATOM 0 H ILE A 89 6.047 24.248 29.027 1.00 10.96 H new ATOM 0 HA ILE A 89 6.193 21.909 30.374 1.00 10.59 H new ATOM 0 HB ILE A 89 8.307 21.595 29.202 1.00 11.30 H new ATOM 0 HG12 ILE A 89 7.947 24.224 28.184 1.00 10.90 H new ATOM 0 HG13 ILE A 89 8.981 23.877 29.299 1.00 10.90 H new ATOM 0 HG21 ILE A 89 7.529 21.452 27.001 1.00 12.42 H new ATOM 0 HG22 ILE A 89 6.442 20.883 28.002 1.00 12.42 H new ATOM 0 HG23 ILE A 89 6.268 22.330 27.384 1.00 12.42 H new ATOM 0 HD11 ILE A 89 10.110 24.014 27.206 1.00 13.89 H new ATOM 0 HD12 ILE A 89 10.221 22.530 27.748 1.00 13.89 H new ATOM 0 HD13 ILE A 89 9.172 22.882 26.615 1.00 13.89 H new ATOM 705 N ALA A 90 7.078 24.103 32.013 1.00 8.47 N ATOM 706 CA ALA A 90 7.815 24.521 33.227 1.00 8.99 C ATOM 707 C ALA A 90 7.971 23.391 34.245 1.00 9.19 C ATOM 708 O ALA A 90 9.105 23.193 34.756 1.00 9.04 O ATOM 709 CB ALA A 90 7.123 25.718 33.845 1.00 7.15 C ATOM 0 H ALA A 90 6.394 24.584 31.814 1.00 8.47 H new ATOM 0 HA ALA A 90 8.715 24.765 32.959 1.00 8.99 H new ATOM 0 HB1 ALA A 90 7.604 25.995 34.641 1.00 7.15 H new ATOM 0 HB2 ALA A 90 7.108 26.448 33.207 1.00 7.15 H new ATOM 0 HB3 ALA A 90 6.214 25.479 34.084 1.00 7.15 H new ATOM 710 N ASP A 91 6.866 22.663 34.488 1.00 8.83 N ATOM 711 CA ASP A 91 6.970 21.554 35.473 1.00 10.00 C ATOM 712 C ASP A 91 7.866 20.423 34.945 1.00 9.69 C ATOM 713 O ASP A 91 8.630 19.840 35.736 1.00 9.22 O ATOM 714 CB ASP A 91 5.587 21.023 35.902 1.00 12.58 C ATOM 715 CG ASP A 91 4.761 22.070 36.626 1.00 15.33 C ATOM 716 OD1 ASP A 91 3.556 22.185 36.357 1.00 17.21 O ATOM 717 OD2 ASP A 91 5.318 22.803 37.486 1.00 15.70 O ATOM 0 H ASP A 91 6.095 22.778 34.124 1.00 8.83 H new ATOM 0 HA ASP A 91 7.389 21.919 36.268 1.00 10.00 H new ATOM 0 HB2 ASP A 91 5.103 20.719 35.118 1.00 12.58 H new ATOM 0 HB3 ASP A 91 5.705 20.252 36.479 1.00 12.58 H new ATOM 718 N ALA A 92 7.713 20.105 33.673 1.00 9.28 N ATOM 719 CA ALA A 92 8.512 19.024 33.066 1.00 9.97 C ATOM 720 C ALA A 92 9.997 19.385 33.164 1.00 10.59 C ATOM 721 O ALA A 92 10.824 18.486 33.420 1.00 11.55 O ATOM 722 CB ALA A 92 8.085 18.758 31.610 1.00 8.66 C ATOM 0 H ALA A 92 7.161 20.491 33.138 1.00 9.28 H new ATOM 0 HA ALA A 92 8.356 18.199 33.552 1.00 9.97 H new ATOM 0 HB1 ALA A 92 8.627 18.044 31.239 1.00 8.66 H new ATOM 0 HB2 ALA A 92 7.151 18.498 31.589 1.00 8.66 H new ATOM 0 HB3 ALA A 92 8.208 19.564 31.084 1.00 8.66 H new ATOM 723 N VAL A 93 10.329 20.641 32.909 1.00 9.37 N ATOM 724 CA VAL A 93 11.729 21.105 32.962 1.00 9.23 C ATOM 725 C VAL A 93 12.243 21.002 34.399 1.00 9.10 C ATOM 726 O VAL A 93 13.374 20.542 34.634 1.00 8.14 O ATOM 727 CB VAL A 93 11.842 22.524 32.342 1.00 9.54 C ATOM 728 CG1 VAL A 93 13.098 23.280 32.761 1.00 9.50 C ATOM 729 CG2 VAL A 93 11.757 22.451 30.825 1.00 8.95 C ATOM 0 H VAL A 93 9.762 21.253 32.701 1.00 9.37 H new ATOM 0 HA VAL A 93 12.304 20.538 32.425 1.00 9.23 H new ATOM 0 HB VAL A 93 11.090 23.028 32.691 1.00 9.54 H new ATOM 0 HG11 VAL A 93 13.105 24.154 32.340 1.00 9.50 H new ATOM 0 HG12 VAL A 93 13.106 23.386 33.725 1.00 9.50 H new ATOM 0 HG13 VAL A 93 13.883 22.782 32.485 1.00 9.50 H new ATOM 0 HG21 VAL A 93 11.829 23.344 30.453 1.00 8.95 H new ATOM 0 HG22 VAL A 93 12.481 21.901 30.486 1.00 8.95 H new ATOM 0 HG23 VAL A 93 10.907 22.061 30.567 1.00 8.95 H new ATOM 730 N ALA A 94 11.417 21.464 35.361 1.00 9.36 N ATOM 731 CA ALA A 94 11.890 21.404 36.772 1.00 8.89 C ATOM 732 C ALA A 94 12.171 19.951 37.149 1.00 8.49 C ATOM 733 O ALA A 94 13.095 19.634 37.901 1.00 8.78 O ATOM 734 CB ALA A 94 10.872 22.087 37.678 1.00 8.81 C ATOM 0 H ALA A 94 10.633 21.794 35.237 1.00 9.36 H new ATOM 0 HA ALA A 94 12.724 21.886 36.883 1.00 8.89 H new ATOM 0 HB1 ALA A 94 11.179 22.048 38.597 1.00 8.81 H new ATOM 0 HB2 ALA A 94 10.771 23.014 37.410 1.00 8.81 H new ATOM 0 HB3 ALA A 94 10.017 21.634 37.604 1.00 8.81 H new ATOM 735 N CYS A 95 11.383 19.036 36.648 1.00 8.02 N ATOM 736 CA CYS A 95 11.540 17.589 36.951 1.00 8.19 C ATOM 737 C CYS A 95 12.766 17.051 36.219 1.00 7.69 C ATOM 738 O CYS A 95 13.507 16.253 36.852 1.00 8.75 O ATOM 739 CB CYS A 95 10.248 16.839 36.656 1.00 8.39 C ATOM 740 SG CYS A 95 10.281 15.079 37.146 1.00 9.92 S ATOM 0 H CYS A 95 10.730 19.212 36.117 1.00 8.02 H new ATOM 0 HA CYS A 95 11.702 17.451 37.897 1.00 8.19 H new ATOM 0 HB2 CYS A 95 9.517 17.280 37.117 1.00 8.39 H new ATOM 0 HB3 CYS A 95 10.061 16.897 35.706 1.00 8.39 H new ATOM 741 N ALA A 96 12.933 17.425 34.961 1.00 6.22 N ATOM 742 CA ALA A 96 14.120 16.962 34.209 1.00 7.28 C ATOM 743 C ALA A 96 15.383 17.408 34.946 1.00 7.57 C ATOM 744 O ALA A 96 16.402 16.650 34.984 1.00 8.08 O ATOM 745 CB ALA A 96 14.097 17.439 32.770 1.00 8.62 C ATOM 0 H ALA A 96 12.395 17.932 34.522 1.00 6.22 H new ATOM 0 HA ALA A 96 14.111 15.993 34.166 1.00 7.28 H new ATOM 0 HB1 ALA A 96 14.888 17.117 32.310 1.00 8.62 H new ATOM 0 HB2 ALA A 96 13.304 17.097 32.328 1.00 8.62 H new ATOM 0 HB3 ALA A 96 14.084 18.409 32.750 1.00 8.62 H new ATOM 746 N LYS A 97 15.337 18.628 35.515 1.00 6.81 N ATOM 747 CA LYS A 97 16.501 19.134 36.263 1.00 8.27 C ATOM 748 C LYS A 97 16.747 18.245 37.468 1.00 9.11 C ATOM 749 O LYS A 97 17.896 17.886 37.784 1.00 10.21 O ATOM 750 CB LYS A 97 16.325 20.578 36.750 1.00 9.02 C ATOM 751 CG LYS A 97 16.373 21.615 35.616 1.00 10.11 C ATOM 752 CD LYS A 97 16.009 23.020 36.108 1.00 9.98 C ATOM 753 CE LYS A 97 16.218 24.008 34.951 1.00 10.39 C ATOM 754 NZ LYS A 97 15.843 25.376 35.375 1.00 11.43 N ATOM 0 H LYS A 97 14.663 19.161 35.481 1.00 6.81 H new ATOM 0 HA LYS A 97 17.254 19.122 35.651 1.00 8.27 H new ATOM 0 HB2 LYS A 97 15.476 20.655 37.214 1.00 9.02 H new ATOM 0 HB3 LYS A 97 17.020 20.782 37.395 1.00 9.02 H new ATOM 0 HG2 LYS A 97 17.262 21.629 35.229 1.00 10.11 H new ATOM 0 HG3 LYS A 97 15.761 21.351 34.911 1.00 10.11 H new ATOM 0 HD2 LYS A 97 15.087 23.044 36.410 1.00 9.98 H new ATOM 0 HD3 LYS A 97 16.562 23.266 36.866 1.00 9.98 H new ATOM 0 HE2 LYS A 97 17.145 23.993 34.667 1.00 10.39 H new ATOM 0 HE3 LYS A 97 15.683 23.740 34.187 1.00 10.39 H new ATOM 0 HZ1 LYS A 97 15.743 25.892 34.657 1.00 11.43 H new ATOM 0 HZ2 LYS A 97 15.078 25.347 35.829 1.00 11.43 H new ATOM 0 HZ3 LYS A 97 16.483 25.712 35.894 1.00 11.43 H new ATOM 755 N ARG A 98 15.660 17.846 38.130 1.00 10.03 N ATOM 756 CA ARG A 98 15.799 16.926 39.296 1.00 9.94 C ATOM 757 C ARG A 98 16.414 15.602 38.865 1.00 9.18 C ATOM 758 O ARG A 98 17.304 15.070 39.546 1.00 8.19 O ATOM 759 CB ARG A 98 14.424 16.678 39.946 1.00 10.24 C ATOM 760 CG ARG A 98 14.420 15.531 40.959 1.00 12.93 C ATOM 761 CD ARG A 98 15.158 15.906 42.218 1.00 15.72 C ATOM 762 NE ARG A 98 15.380 14.799 43.127 1.00 17.38 N ATOM 763 CZ ARG A 98 16.197 13.752 43.013 1.00 18.77 C ATOM 764 NH1 ARG A 98 16.156 12.873 44.016 1.00 19.56 N ATOM 765 NH2 ARG A 98 17.089 13.536 42.029 1.00 17.45 N ATOM 0 H ARG A 98 14.854 18.079 37.940 1.00 10.03 H new ATOM 0 HA ARG A 98 16.386 17.344 39.945 1.00 9.94 H new ATOM 0 HB2 ARG A 98 14.133 17.491 40.389 1.00 10.24 H new ATOM 0 HB3 ARG A 98 13.776 16.486 39.250 1.00 10.24 H new ATOM 0 HG2 ARG A 98 13.505 15.293 41.177 1.00 12.93 H new ATOM 0 HG3 ARG A 98 14.830 14.746 40.563 1.00 12.93 H new ATOM 0 HD2 ARG A 98 16.015 16.290 41.976 1.00 15.72 H new ATOM 0 HD3 ARG A 98 14.658 16.596 42.681 1.00 15.72 H new ATOM 0 HE ARG A 98 14.914 14.821 43.849 1.00 17.38 H new ATOM 0 HH11 ARG A 98 15.625 13.003 44.680 1.00 19.56 H new ATOM 0 HH12 ARG A 98 16.661 12.177 43.999 1.00 19.56 H new ATOM 0 HH21 ARG A 98 17.172 14.106 41.391 1.00 17.45 H new ATOM 0 HH22 ARG A 98 17.577 12.828 42.038 1.00 17.45 H new ATOM 766 N VAL A 99 15.963 15.011 37.750 1.00 9.31 N ATOM 767 CA VAL A 99 16.518 13.726 37.292 1.00 10.07 C ATOM 768 C VAL A 99 18.041 13.803 37.113 1.00 10.93 C ATOM 769 O VAL A 99 18.763 12.861 37.511 1.00 11.81 O ATOM 770 CB VAL A 99 15.901 13.316 35.925 1.00 10.67 C ATOM 771 CG1 VAL A 99 16.589 12.077 35.319 1.00 10.19 C ATOM 772 CG2 VAL A 99 14.407 13.179 36.018 1.00 9.31 C ATOM 0 H VAL A 99 15.343 15.333 37.249 1.00 9.31 H new ATOM 0 HA VAL A 99 16.301 13.070 37.973 1.00 10.07 H new ATOM 0 HB VAL A 99 16.073 14.037 35.299 1.00 10.67 H new ATOM 0 HG11 VAL A 99 16.173 11.858 34.470 1.00 10.19 H new ATOM 0 HG12 VAL A 99 17.530 12.265 35.178 1.00 10.19 H new ATOM 0 HG13 VAL A 99 16.497 11.326 35.926 1.00 10.19 H new ATOM 0 HG21 VAL A 99 14.051 12.923 35.153 1.00 9.31 H new ATOM 0 HG22 VAL A 99 14.184 12.499 36.673 1.00 9.31 H new ATOM 0 HG23 VAL A 99 14.020 14.026 36.289 1.00 9.31 H new ATOM 773 N VAL A 100 18.527 14.872 36.477 1.00 8.95 N ATOM 774 CA VAL A 100 19.975 14.945 36.234 1.00 9.72 C ATOM 775 C VAL A 100 20.780 15.313 37.465 1.00 11.03 C ATOM 776 O VAL A 100 22.043 15.336 37.390 1.00 11.49 O ATOM 777 CB VAL A 100 20.335 15.762 34.992 1.00 8.53 C ATOM 778 CG1 VAL A 100 19.700 15.170 33.731 1.00 9.02 C ATOM 779 CG2 VAL A 100 20.029 17.238 35.196 1.00 9.07 C ATOM 0 H VAL A 100 18.064 15.537 36.189 1.00 8.95 H new ATOM 0 HA VAL A 100 20.248 14.037 36.028 1.00 9.72 H new ATOM 0 HB VAL A 100 21.294 15.706 34.854 1.00 8.53 H new ATOM 0 HG11 VAL A 100 19.945 15.708 32.962 1.00 9.02 H new ATOM 0 HG12 VAL A 100 20.017 14.262 33.605 1.00 9.02 H new ATOM 0 HG13 VAL A 100 18.735 15.165 33.827 1.00 9.02 H new ATOM 0 HG21 VAL A 100 20.266 17.732 34.395 1.00 9.07 H new ATOM 0 HG22 VAL A 100 19.083 17.351 35.376 1.00 9.07 H new ATOM 0 HG23 VAL A 100 20.543 17.574 35.947 1.00 9.07 H new ATOM 780 N ARG A 101 20.152 15.617 38.567 1.00 11.51 N ATOM 781 CA ARG A 101 20.876 15.913 39.802 1.00 14.23 C ATOM 782 C ARG A 101 21.363 14.575 40.403 1.00 16.22 C ATOM 783 O ARG A 101 22.242 14.628 41.306 1.00 17.26 O ATOM 784 CB ARG A 101 20.083 16.749 40.789 1.00 14.32 C ATOM 785 CG ARG A 101 19.867 18.198 40.337 1.00 15.40 C ATOM 786 CD ARG A 101 19.618 19.124 41.483 1.00 16.92 C ATOM 787 NE ARG A 101 18.281 19.049 42.030 1.00 17.52 N ATOM 788 CZ ARG A 101 17.161 19.576 41.556 1.00 18.22 C ATOM 789 NH1 ARG A 101 17.062 20.322 40.461 1.00 17.72 N ATOM 790 NH2 ARG A 101 16.052 19.329 42.261 1.00 18.17 N ATOM 0 H ARG A 101 19.296 15.662 38.636 1.00 11.51 H new ATOM 0 HA ARG A 101 21.639 16.474 39.591 1.00 14.23 H new ATOM 0 HB2 ARG A 101 19.219 16.332 40.933 1.00 14.32 H new ATOM 0 HB3 ARG A 101 20.544 16.750 41.643 1.00 14.32 H new ATOM 0 HG2 ARG A 101 20.646 18.500 39.845 1.00 15.40 H new ATOM 0 HG3 ARG A 101 19.114 18.234 39.726 1.00 15.40 H new ATOM 0 HD2 ARG A 101 20.256 18.929 42.187 1.00 16.92 H new ATOM 0 HD3 ARG A 101 19.787 20.034 41.192 1.00 16.92 H new ATOM 0 HE ARG A 101 18.202 18.603 42.761 1.00 17.52 H new ATOM 0 HH11 ARG A 101 17.764 20.498 39.996 1.00 17.72 H new ATOM 0 HH12 ARG A 101 16.296 20.629 40.217 1.00 17.72 H new ATOM 0 HH21 ARG A 101 16.094 18.853 42.976 1.00 18.17 H new ATOM 0 HH22 ARG A 101 15.297 19.646 42.000 1.00 18.17 H new ATOM 791 N ASP A 102 20.876 13.438 39.934 1.00 15.59 N ATOM 792 CA ASP A 102 21.335 12.121 40.411 1.00 16.72 C ATOM 793 C ASP A 102 22.654 11.822 39.688 1.00 16.47 C ATOM 794 O ASP A 102 22.916 12.436 38.644 1.00 16.47 O ATOM 795 CB ASP A 102 20.277 11.059 40.104 1.00 18.75 C ATOM 796 CG ASP A 102 19.309 10.840 41.268 1.00 20.54 C ATOM 797 OD1 ASP A 102 18.575 9.846 41.185 1.00 23.27 O ATOM 798 OD2 ASP A 102 19.289 11.676 42.194 1.00 21.79 O ATOM 0 H ASP A 102 20.267 13.397 39.328 1.00 15.59 H new ATOM 0 HA ASP A 102 21.473 12.117 41.371 1.00 16.72 H new ATOM 0 HB2 ASP A 102 19.776 11.324 39.317 1.00 18.75 H new ATOM 0 HB3 ASP A 102 20.717 10.221 39.891 1.00 18.75 H new ATOM 799 N PRO A 103 23.459 10.914 40.226 1.00 17.35 N ATOM 800 CA PRO A 103 24.783 10.595 39.662 1.00 16.63 C ATOM 801 C PRO A 103 24.841 10.283 38.187 1.00 16.36 C ATOM 802 O PRO A 103 25.803 10.688 37.482 1.00 15.29 O ATOM 803 CB PRO A 103 25.381 9.515 40.581 1.00 18.05 C ATOM 804 CG PRO A 103 24.478 9.451 41.773 1.00 18.51 C ATOM 805 CD PRO A 103 23.184 10.185 41.484 1.00 17.78 C ATOM 0 HA PRO A 103 25.329 11.397 39.660 1.00 16.63 H new ATOM 0 HB2 PRO A 103 25.423 8.658 40.129 1.00 18.05 H new ATOM 0 HB3 PRO A 103 26.287 9.743 40.842 1.00 18.05 H new ATOM 0 HG2 PRO A 103 24.291 8.526 41.997 1.00 18.51 H new ATOM 0 HG3 PRO A 103 24.917 9.846 42.542 1.00 18.51 H new ATOM 0 HD2 PRO A 103 22.441 9.569 41.383 1.00 17.78 H new ATOM 0 HD3 PRO A 103 22.952 10.793 42.203 1.00 17.78 H new ATOM 806 N GLN A 104 23.863 9.578 37.629 1.00 15.07 N ATOM 807 CA GLN A 104 23.856 9.239 36.191 1.00 15.25 C ATOM 808 C GLN A 104 23.754 10.471 35.278 1.00 13.10 C ATOM 809 O GLN A 104 24.127 10.377 34.079 1.00 11.47 O ATOM 810 CB GLN A 104 22.716 8.297 35.827 1.00 19.13 C ATOM 811 CG GLN A 104 22.834 6.878 36.330 1.00 24.44 C ATOM 812 CD GLN A 104 21.720 6.065 35.676 1.00 28.00 C ATOM 813 OE1 GLN A 104 20.554 6.122 36.068 1.00 30.92 O ATOM 814 NE2 GLN A 104 22.104 5.350 34.612 1.00 29.54 N ATOM 0 H GLN A 104 23.183 9.280 38.063 1.00 15.07 H new ATOM 0 HA GLN A 104 24.710 8.804 36.043 1.00 15.25 H new ATOM 0 HB2 GLN A 104 21.890 8.673 36.168 1.00 19.13 H new ATOM 0 HB3 GLN A 104 22.639 8.272 34.860 1.00 19.13 H new ATOM 0 HG2 GLN A 104 23.702 6.508 36.107 1.00 24.44 H new ATOM 0 HG3 GLN A 104 22.754 6.851 37.296 1.00 24.44 H new ATOM 0 HE21 GLN A 104 22.931 5.341 34.376 1.00 29.54 H new ATOM 0 HE22 GLN A 104 21.524 4.900 34.164 1.00 29.54 H new ATOM 815 N GLY A 105 23.221 11.565 35.820 1.00 12.33 N ATOM 816 CA GLY A 105 23.092 12.793 34.984 1.00 11.09 C ATOM 817 C GLY A 105 22.183 12.436 33.807 1.00 11.87 C ATOM 818 O GLY A 105 21.217 11.694 33.928 1.00 11.46 O ATOM 0 H GLY A 105 22.936 11.632 36.629 1.00 12.33 H new ATOM 0 HA2 GLY A 105 22.715 13.522 35.501 1.00 11.09 H new ATOM 0 HA3 GLY A 105 23.961 13.088 34.670 1.00 11.09 H new ATOM 819 N ILE A 106 22.489 12.946 32.639 1.00 12.49 N ATOM 820 CA ILE A 106 21.727 12.727 31.404 1.00 13.08 C ATOM 821 C ILE A 106 21.705 11.277 30.948 1.00 13.19 C ATOM 822 O ILE A 106 20.858 10.902 30.124 1.00 12.76 O ATOM 823 CB ILE A 106 22.391 13.681 30.328 1.00 14.07 C ATOM 824 CG1 ILE A 106 21.515 13.683 29.046 1.00 16.91 C ATOM 825 CG2 ILE A 106 23.860 13.311 30.093 1.00 15.01 C ATOM 826 CD1 ILE A 106 20.183 14.469 29.182 1.00 14.63 C ATOM 0 H ILE A 106 23.174 13.453 32.524 1.00 12.49 H new ATOM 0 HA ILE A 106 20.789 12.932 31.544 1.00 13.08 H new ATOM 0 HB ILE A 106 22.418 14.595 30.653 1.00 14.07 H new ATOM 0 HG12 ILE A 106 22.029 14.063 28.316 1.00 16.91 H new ATOM 0 HG13 ILE A 106 21.313 12.766 28.803 1.00 16.91 H new ATOM 0 HG21 ILE A 106 24.243 13.909 29.432 1.00 15.01 H new ATOM 0 HG22 ILE A 106 24.352 13.393 30.925 1.00 15.01 H new ATOM 0 HG23 ILE A 106 23.917 12.397 29.773 1.00 15.01 H new ATOM 0 HD11 ILE A 106 19.694 14.425 28.345 1.00 14.63 H new ATOM 0 HD12 ILE A 106 19.647 14.078 29.890 1.00 14.63 H new ATOM 0 HD13 ILE A 106 20.374 15.396 29.396 1.00 14.63 H new ATOM 827 N ARG A 107 22.645 10.462 31.424 1.00 12.82 N ATOM 828 CA ARG A 107 22.723 9.042 31.059 1.00 13.60 C ATOM 829 C ARG A 107 21.538 8.245 31.587 1.00 13.72 C ATOM 830 O ARG A 107 21.373 7.073 31.193 1.00 13.80 O ATOM 831 CB ARG A 107 23.999 8.375 31.625 1.00 14.84 C ATOM 832 CG ARG A 107 25.228 8.835 30.819 1.00 17.28 C ATOM 833 CD ARG A 107 26.524 8.555 31.507 1.00 19.08 C ATOM 834 NE ARG A 107 27.641 8.600 30.569 1.00 19.35 N ATOM 835 CZ ARG A 107 28.143 9.673 29.964 1.00 20.45 C ATOM 836 NH1 ARG A 107 29.184 9.510 29.117 1.00 18.82 N ATOM 837 NH2 ARG A 107 27.590 10.876 30.203 1.00 17.35 N ATOM 0 H ARG A 107 23.259 10.716 31.970 1.00 12.82 H new ATOM 0 HA ARG A 107 22.730 9.029 30.089 1.00 13.60 H new ATOM 0 HB2 ARG A 107 24.109 8.609 32.560 1.00 14.84 H new ATOM 0 HB3 ARG A 107 23.916 7.410 31.582 1.00 14.84 H new ATOM 0 HG2 ARG A 107 25.225 8.393 29.956 1.00 17.28 H new ATOM 0 HG3 ARG A 107 25.158 9.788 30.650 1.00 17.28 H new ATOM 0 HD2 ARG A 107 26.665 9.205 32.213 1.00 19.08 H new ATOM 0 HD3 ARG A 107 26.487 7.682 31.928 1.00 19.08 H new ATOM 0 HE ARG A 107 28.017 7.848 30.387 1.00 19.35 H new ATOM 0 HH11 ARG A 107 29.507 8.725 28.979 1.00 18.82 H new ATOM 0 HH12 ARG A 107 29.523 10.191 28.716 1.00 18.82 H new ATOM 0 HH21 ARG A 107 26.922 10.943 30.740 1.00 17.35 H new ATOM 0 HH22 ARG A 107 27.905 11.578 29.819 1.00 17.35 H new ATOM 838 N ALA A 108 20.758 8.862 32.444 1.00 13.10 N ATOM 839 CA ALA A 108 19.573 8.202 33.016 1.00 14.45 C ATOM 840 C ALA A 108 18.584 7.782 31.927 1.00 15.00 C ATOM 841 O ALA A 108 17.764 6.845 32.133 1.00 15.28 O ATOM 842 CB ALA A 108 18.965 9.152 34.038 1.00 13.34 C ATOM 0 H ALA A 108 20.885 9.667 32.718 1.00 13.10 H new ATOM 0 HA ALA A 108 19.822 7.376 33.460 1.00 14.45 H new ATOM 0 HB1 ALA A 108 18.179 8.743 34.433 1.00 13.34 H new ATOM 0 HB2 ALA A 108 19.615 9.340 34.733 1.00 13.34 H new ATOM 0 HB3 ALA A 108 18.712 9.980 33.600 1.00 13.34 H new ATOM 843 N TRP A 109 18.629 8.453 30.788 1.00 13.60 N ATOM 844 CA TRP A 109 17.728 8.145 29.648 1.00 13.15 C ATOM 845 C TRP A 109 18.522 7.279 28.678 1.00 13.94 C ATOM 846 O TRP A 109 19.501 7.812 28.097 1.00 13.08 O ATOM 847 CB TRP A 109 17.270 9.417 28.955 1.00 12.22 C ATOM 848 CG TRP A 109 16.189 10.203 29.632 1.00 11.69 C ATOM 849 CD1 TRP A 109 14.828 9.975 29.554 1.00 10.99 C ATOM 850 CD2 TRP A 109 16.377 11.355 30.464 1.00 9.96 C ATOM 851 NE1 TRP A 109 14.178 10.913 30.313 1.00 11.37 N ATOM 852 CE2 TRP A 109 15.085 11.786 30.859 1.00 11.21 C ATOM 853 CE3 TRP A 109 17.501 12.052 30.889 1.00 10.62 C ATOM 854 CZ2 TRP A 109 14.892 12.900 31.667 1.00 9.91 C ATOM 855 CZ3 TRP A 109 17.345 13.174 31.708 1.00 10.78 C ATOM 856 CH2 TRP A 109 16.042 13.584 32.084 1.00 12.37 C ATOM 0 H TRP A 109 19.175 9.100 30.639 1.00 13.60 H new ATOM 0 HA TRP A 109 16.933 7.687 29.961 1.00 13.15 H new ATOM 0 HB2 TRP A 109 18.041 9.996 28.845 1.00 12.22 H new ATOM 0 HB3 TRP A 109 16.962 9.183 28.066 1.00 12.22 H new ATOM 0 HD1 TRP A 109 14.420 9.296 29.066 1.00 10.99 H new ATOM 0 HE1 TRP A 109 13.327 10.949 30.430 1.00 11.37 H new ATOM 0 HE3 TRP A 109 18.350 11.774 30.631 1.00 10.62 H new ATOM 0 HZ2 TRP A 109 14.041 13.178 31.919 1.00 9.91 H new ATOM 0 HZ3 TRP A 109 18.089 13.647 32.003 1.00 10.78 H new ATOM 0 HH2 TRP A 109 15.946 14.333 32.627 1.00 12.37 H new ATOM 857 N VAL A 110 18.114 6.039 28.450 1.00 13.51 N ATOM 858 CA VAL A 110 18.929 5.215 27.530 1.00 14.17 C ATOM 859 C VAL A 110 18.882 5.757 26.126 1.00 13.26 C ATOM 860 O VAL A 110 19.849 5.580 25.340 1.00 13.81 O ATOM 861 CB VAL A 110 18.507 3.734 27.706 1.00 17.04 C ATOM 862 CG1 VAL A 110 17.100 3.573 27.155 1.00 18.03 C ATOM 863 CG2 VAL A 110 19.517 2.794 27.050 1.00 18.28 C ATOM 0 H VAL A 110 17.417 5.663 28.786 1.00 13.51 H new ATOM 0 HA VAL A 110 19.873 5.258 27.748 1.00 14.17 H new ATOM 0 HB VAL A 110 18.499 3.491 28.645 1.00 17.04 H new ATOM 0 HG11 VAL A 110 16.816 2.651 27.256 1.00 18.03 H new ATOM 0 HG12 VAL A 110 16.493 4.153 27.642 1.00 18.03 H new ATOM 0 HG13 VAL A 110 17.091 3.813 26.215 1.00 18.03 H new ATOM 0 HG21 VAL A 110 19.232 1.875 27.173 1.00 18.28 H new ATOM 0 HG22 VAL A 110 19.573 2.990 26.102 1.00 18.28 H new ATOM 0 HG23 VAL A 110 20.388 2.919 27.458 1.00 18.28 H new ATOM 864 N ALA A 111 17.801 6.416 25.747 1.00 11.96 N ATOM 865 CA ALA A 111 17.749 6.965 24.376 1.00 12.31 C ATOM 866 C ALA A 111 18.886 7.994 24.182 1.00 11.54 C ATOM 867 O ALA A 111 19.361 8.142 23.034 1.00 11.10 O ATOM 868 CB ALA A 111 16.429 7.625 24.028 1.00 13.55 C ATOM 0 H ALA A 111 17.107 6.559 26.235 1.00 11.96 H new ATOM 0 HA ALA A 111 17.853 6.206 23.780 1.00 12.31 H new ATOM 0 HB1 ALA A 111 16.465 7.961 23.119 1.00 13.55 H new ATOM 0 HB2 ALA A 111 15.712 6.976 24.104 1.00 13.55 H new ATOM 0 HB3 ALA A 111 16.264 8.361 24.638 1.00 13.55 H new ATOM 869 N TRP A 112 19.262 8.675 25.278 1.00 11.36 N ATOM 870 CA TRP A 112 20.353 9.685 25.152 1.00 10.79 C ATOM 871 C TRP A 112 21.652 8.993 24.724 1.00 11.11 C ATOM 872 O TRP A 112 22.383 9.462 23.844 1.00 11.01 O ATOM 873 CB TRP A 112 20.530 10.570 26.380 1.00 10.46 C ATOM 874 CG TRP A 112 21.583 11.608 26.158 1.00 11.03 C ATOM 875 CD1 TRP A 112 21.449 12.855 25.599 1.00 9.89 C ATOM 876 CD2 TRP A 112 22.984 11.448 26.485 1.00 12.10 C ATOM 877 NE1 TRP A 112 22.679 13.489 25.559 1.00 9.93 N ATOM 878 CE2 TRP A 112 23.638 12.670 26.093 1.00 10.61 C ATOM 879 CE3 TRP A 112 23.733 10.415 27.053 1.00 11.37 C ATOM 880 CZ2 TRP A 112 25.000 12.845 26.256 1.00 10.84 C ATOM 881 CZ3 TRP A 112 25.103 10.605 27.258 1.00 11.49 C ATOM 882 CH2 TRP A 112 25.714 11.809 26.855 1.00 11.70 C ATOM 0 H TRP A 112 18.926 8.582 26.064 1.00 11.36 H new ATOM 0 HA TRP A 112 20.089 10.308 24.457 1.00 10.79 H new ATOM 0 HB2 TRP A 112 19.688 11.002 26.594 1.00 10.46 H new ATOM 0 HB3 TRP A 112 20.770 10.022 27.144 1.00 10.46 H new ATOM 0 HD1 TRP A 112 20.650 13.220 25.293 1.00 9.89 H new ATOM 0 HE1 TRP A 112 22.820 14.278 25.246 1.00 9.93 H new ATOM 0 HE3 TRP A 112 23.327 9.613 27.291 1.00 11.37 H new ATOM 0 HZ2 TRP A 112 25.423 13.624 25.976 1.00 10.84 H new ATOM 0 HZ3 TRP A 112 25.610 9.937 27.660 1.00 11.49 H new ATOM 0 HH2 TRP A 112 26.627 11.916 26.994 1.00 11.70 H new ATOM 883 N ARG A 113 21.911 7.863 25.372 1.00 12.32 N ATOM 884 CA ARG A 113 23.123 7.058 25.070 1.00 12.96 C ATOM 885 C ARG A 113 23.086 6.522 23.639 1.00 13.13 C ATOM 886 O ARG A 113 24.075 6.582 22.887 1.00 11.12 O ATOM 887 CB ARG A 113 23.264 5.860 25.998 1.00 15.20 C ATOM 888 CG ARG A 113 23.444 6.200 27.466 1.00 18.96 C ATOM 889 CD ARG A 113 23.610 4.922 28.245 1.00 22.82 C ATOM 890 NE ARG A 113 22.914 5.082 29.514 1.00 27.86 N ATOM 891 CZ ARG A 113 22.228 4.044 30.036 1.00 31.48 C ATOM 892 NH1 ARG A 113 22.208 2.849 29.435 1.00 31.12 N ATOM 893 NH2 ARG A 113 21.551 4.292 31.161 1.00 31.51 N ATOM 0 H ARG A 113 21.409 7.535 25.989 1.00 12.32 H new ATOM 0 HA ARG A 113 23.875 7.658 25.194 1.00 12.96 H new ATOM 0 HB2 ARG A 113 22.477 5.301 25.904 1.00 15.20 H new ATOM 0 HB3 ARG A 113 24.023 5.331 25.707 1.00 15.20 H new ATOM 0 HG2 ARG A 113 24.220 6.769 27.586 1.00 18.96 H new ATOM 0 HG3 ARG A 113 22.676 6.695 27.792 1.00 18.96 H new ATOM 0 HD2 ARG A 113 23.246 4.172 27.749 1.00 22.82 H new ATOM 0 HD3 ARG A 113 24.550 4.734 28.394 1.00 22.82 H new ATOM 0 HE ARG A 113 22.940 5.835 29.929 1.00 27.86 H new ATOM 0 HH11 ARG A 113 22.638 2.730 28.700 1.00 31.12 H new ATOM 0 HH12 ARG A 113 21.765 2.200 29.784 1.00 31.12 H new ATOM 0 HH21 ARG A 113 21.570 5.078 31.510 1.00 31.51 H new ATOM 0 HH22 ARG A 113 21.096 3.666 31.536 1.00 31.51 H new ATOM 894 N ASN A 114 21.908 5.995 23.274 1.00 13.04 N ATOM 895 CA ASN A 114 21.800 5.422 21.913 1.00 13.52 C ATOM 896 C ASN A 114 21.920 6.426 20.775 1.00 13.55 C ATOM 897 O ASN A 114 22.576 6.158 19.741 1.00 13.53 O ATOM 898 CB ASN A 114 20.458 4.683 21.702 1.00 14.52 C ATOM 899 CG ASN A 114 20.258 3.579 22.713 1.00 15.84 C ATOM 900 OD1 ASN A 114 21.204 3.046 23.268 1.00 15.34 O ATOM 901 ND2 ASN A 114 19.005 3.235 22.978 1.00 16.70 N ATOM 0 H ASN A 114 21.200 5.957 23.760 1.00 13.04 H new ATOM 0 HA ASN A 114 22.559 4.819 21.876 1.00 13.52 H new ATOM 0 HB2 ASN A 114 19.727 5.317 21.767 1.00 14.52 H new ATOM 0 HB3 ASN A 114 20.432 4.310 20.807 1.00 14.52 H new ATOM 0 HD21 ASN A 114 18.841 2.620 23.556 1.00 16.70 H new ATOM 0 HD22 ASN A 114 18.356 3.627 22.572 1.00 16.70 H new ATOM 902 N ARG A 115 21.220 7.536 20.968 1.00 12.83 N ATOM 903 CA ARG A 115 21.110 8.542 19.923 1.00 13.51 C ATOM 904 C ARG A 115 21.843 9.840 20.039 1.00 12.06 C ATOM 905 O ARG A 115 21.824 10.484 18.969 1.00 12.45 O ATOM 906 CB ARG A 115 19.604 8.967 19.829 1.00 16.06 C ATOM 907 CG ARG A 115 18.652 7.746 20.008 1.00 18.82 C ATOM 908 CD ARG A 115 18.329 7.244 18.651 1.00 21.33 C ATOM 909 NE ARG A 115 17.447 6.082 18.632 1.00 22.60 N ATOM 910 CZ ARG A 115 17.081 5.568 17.442 1.00 23.01 C ATOM 911 NH1 ARG A 115 17.524 6.087 16.303 1.00 22.86 N ATOM 912 NH2 ARG A 115 16.230 4.552 17.453 1.00 23.09 N ATOM 0 H ARG A 115 20.802 7.725 21.695 1.00 12.83 H new ATOM 0 HA ARG A 115 21.514 8.084 19.170 1.00 13.51 H new ATOM 0 HB2 ARG A 115 19.411 9.631 20.509 1.00 16.06 H new ATOM 0 HB3 ARG A 115 19.438 9.385 18.969 1.00 16.06 H new ATOM 0 HG2 ARG A 115 19.078 7.054 20.537 1.00 18.82 H new ATOM 0 HG3 ARG A 115 17.845 8.007 20.478 1.00 18.82 H new ATOM 0 HD2 ARG A 115 17.914 7.959 18.144 1.00 21.33 H new ATOM 0 HD3 ARG A 115 19.155 7.016 18.197 1.00 21.33 H new ATOM 0 HE ARG A 115 17.166 5.732 19.366 1.00 22.60 H new ATOM 0 HH11 ARG A 115 18.055 6.764 16.316 1.00 22.86 H new ATOM 0 HH12 ARG A 115 17.280 5.746 15.552 1.00 22.86 H new ATOM 0 HH21 ARG A 115 15.934 4.247 18.201 1.00 23.09 H new ATOM 0 HH22 ARG A 115 15.974 4.198 16.712 1.00 23.09 H new ATOM 913 N CYS A 116 22.353 10.170 21.194 1.00 10.77 N ATOM 914 CA CYS A 116 22.977 11.498 21.347 1.00 10.96 C ATOM 915 C CYS A 116 24.419 11.487 21.826 1.00 10.89 C ATOM 916 O CYS A 116 25.211 12.374 21.454 1.00 10.96 O ATOM 917 CB CYS A 116 22.140 12.309 22.377 1.00 10.05 C ATOM 918 SG CYS A 116 20.358 12.390 21.977 1.00 10.55 S ATOM 0 H CYS A 116 22.360 9.672 21.895 1.00 10.77 H new ATOM 0 HA CYS A 116 22.989 11.890 20.460 1.00 10.96 H new ATOM 0 HB2 CYS A 116 22.248 11.911 23.255 1.00 10.05 H new ATOM 0 HB3 CYS A 116 22.493 13.211 22.429 1.00 10.05 H new ATOM 919 N GLN A 117 24.752 10.530 22.653 1.00 10.65 N ATOM 920 CA GLN A 117 26.126 10.480 23.198 1.00 12.03 C ATOM 921 C GLN A 117 27.158 10.317 22.095 1.00 12.86 C ATOM 922 O GLN A 117 26.992 9.492 21.190 1.00 11.85 O ATOM 923 CB GLN A 117 26.238 9.446 24.293 1.00 12.90 C ATOM 924 CG GLN A 117 27.659 9.189 24.790 1.00 15.63 C ATOM 925 CD GLN A 117 27.605 8.099 25.837 1.00 18.85 C ATOM 926 OE1 GLN A 117 26.491 7.403 25.996 1.00 22.63 O flip ATOM 927 NE2 GLN A 117 28.590 7.866 26.539 1.00 18.31 N flip ATOM 0 H GLN A 117 24.227 9.903 22.920 1.00 10.65 H new ATOM 0 HA GLN A 117 26.324 11.334 23.614 1.00 12.03 H new ATOM 0 HB2 GLN A 117 25.693 9.728 25.044 1.00 12.90 H new ATOM 0 HB3 GLN A 117 25.866 8.610 23.970 1.00 12.90 H new ATOM 0 HG2 GLN A 117 28.232 8.922 24.054 1.00 15.63 H new ATOM 0 HG3 GLN A 117 28.038 9.999 25.165 1.00 15.63 H new ATOM 0 HE21 GLN A 117 29.312 8.321 26.432 1.00 18.31 H new ATOM 0 HE22 GLN A 117 28.556 7.248 27.136 1.00 18.31 H new ATOM 928 N ASN A 118 28.194 11.143 22.209 1.00 13.10 N ATOM 929 CA ASN A 118 29.296 11.124 21.255 1.00 16.18 C ATOM 930 C ASN A 118 28.878 11.374 19.828 1.00 16.60 C ATOM 931 O ASN A 118 29.572 10.901 18.905 1.00 20.23 O ATOM 932 CB ASN A 118 30.137 9.830 21.430 1.00 19.74 C ATOM 933 CG ASN A 118 30.795 9.838 22.811 1.00 21.88 C ATOM 934 OD1 ASN A 118 31.263 10.992 23.284 1.00 25.44 O flip ATOM 935 ND2 ASN A 118 30.835 8.810 23.499 1.00 24.48 N flip ATOM 0 H ASN A 118 28.277 11.725 22.836 1.00 13.10 H new ATOM 0 HA ASN A 118 29.865 11.881 21.463 1.00 16.18 H new ATOM 0 HB2 ASN A 118 29.571 9.048 21.335 1.00 19.74 H new ATOM 0 HB3 ASN A 118 30.814 9.776 20.738 1.00 19.74 H new ATOM 0 HD21 ASN A 118 30.530 8.070 23.184 1.00 24.48 H new ATOM 0 HD22 ASN A 118 31.168 8.836 24.292 1.00 24.48 H new ATOM 936 N ARG A 119 27.830 12.099 19.568 1.00 15.95 N ATOM 937 CA ARG A 119 27.369 12.456 18.230 1.00 16.26 C ATOM 938 C ARG A 119 27.513 13.998 18.099 1.00 15.64 C ATOM 939 O ARG A 119 27.611 14.691 19.119 1.00 15.00 O ATOM 940 CB ARG A 119 25.887 12.217 17.942 1.00 17.41 C ATOM 941 CG ARG A 119 25.306 10.896 18.413 1.00 19.98 C ATOM 942 CD ARG A 119 25.385 9.800 17.444 1.00 21.85 C ATOM 943 NE ARG A 119 24.653 8.594 17.869 1.00 22.32 N ATOM 944 CZ ARG A 119 24.110 7.729 17.017 1.00 22.93 C ATOM 945 NH1 ARG A 119 23.555 6.592 17.412 1.00 22.28 N ATOM 946 NH2 ARG A 119 24.056 8.034 15.711 1.00 24.82 N ATOM 0 H ARG A 119 27.330 12.421 20.189 1.00 15.95 H new ATOM 0 HA ARG A 119 27.893 11.904 17.629 1.00 16.26 H new ATOM 0 HB2 ARG A 119 25.379 12.935 18.352 1.00 17.41 H new ATOM 0 HB3 ARG A 119 25.750 12.284 16.984 1.00 17.41 H new ATOM 0 HG2 ARG A 119 25.767 10.627 19.223 1.00 19.98 H new ATOM 0 HG3 ARG A 119 24.375 11.034 18.649 1.00 19.98 H new ATOM 0 HD2 ARG A 119 25.031 10.103 16.593 1.00 21.85 H new ATOM 0 HD3 ARG A 119 26.316 9.571 17.299 1.00 21.85 H new ATOM 0 HE ARG A 119 24.573 8.441 18.712 1.00 22.32 H new ATOM 0 HH11 ARG A 119 23.537 6.390 18.248 1.00 22.28 H new ATOM 0 HH12 ARG A 119 23.213 6.056 16.833 1.00 22.28 H new ATOM 0 HH21 ARG A 119 24.371 8.784 15.431 1.00 24.82 H new ATOM 0 HH22 ARG A 119 23.706 7.480 15.154 1.00 24.82 H new ATOM 947 N ASP A 120 27.458 14.392 16.850 1.00 14.93 N ATOM 948 CA ASP A 120 27.502 15.842 16.541 1.00 15.31 C ATOM 949 C ASP A 120 26.043 16.288 16.804 1.00 15.23 C ATOM 950 O ASP A 120 25.153 16.039 15.967 1.00 15.93 O ATOM 951 CB ASP A 120 27.985 16.049 15.119 1.00 16.63 C ATOM 952 CG ASP A 120 28.013 17.558 14.794 1.00 18.99 C ATOM 953 OD1 ASP A 120 27.727 18.374 15.708 1.00 18.80 O ATOM 954 OD2 ASP A 120 28.362 17.776 13.615 1.00 18.47 O ATOM 0 H ASP A 120 27.397 13.870 16.169 1.00 14.93 H new ATOM 0 HA ASP A 120 28.122 16.366 17.072 1.00 15.31 H new ATOM 0 HB2 ASP A 120 28.871 15.669 15.010 1.00 16.63 H new ATOM 0 HB3 ASP A 120 27.400 15.586 14.499 1.00 16.63 H new ATOM 955 N VAL A 121 25.762 16.892 17.947 1.00 13.61 N ATOM 956 CA VAL A 121 24.372 17.298 18.228 1.00 13.59 C ATOM 957 C VAL A 121 24.083 18.767 17.862 1.00 14.74 C ATOM 958 O VAL A 121 22.987 19.259 18.172 1.00 13.05 O ATOM 959 CB VAL A 121 24.030 17.018 19.705 1.00 12.19 C ATOM 960 CG1 VAL A 121 23.952 15.521 19.961 1.00 14.68 C ATOM 961 CG2 VAL A 121 24.968 17.724 20.676 1.00 12.18 C ATOM 0 H VAL A 121 26.333 17.077 18.563 1.00 13.61 H new ATOM 0 HA VAL A 121 23.798 16.764 17.657 1.00 13.59 H new ATOM 0 HB VAL A 121 23.153 17.396 19.875 1.00 12.19 H new ATOM 0 HG11 VAL A 121 23.736 15.363 20.893 1.00 14.68 H new ATOM 0 HG12 VAL A 121 23.263 15.132 19.400 1.00 14.68 H new ATOM 0 HG13 VAL A 121 24.807 15.112 19.753 1.00 14.68 H new ATOM 0 HG21 VAL A 121 24.709 17.514 21.587 1.00 12.18 H new ATOM 0 HG22 VAL A 121 25.878 17.425 20.522 1.00 12.18 H new ATOM 0 HG23 VAL A 121 24.915 18.683 20.538 1.00 12.18 H new ATOM 962 N ARG A 122 25.039 19.423 17.235 1.00 16.94 N ATOM 963 CA ARG A 122 24.890 20.845 16.858 1.00 18.76 C ATOM 964 C ARG A 122 23.646 21.065 16.019 1.00 18.60 C ATOM 965 O ARG A 122 23.026 22.130 16.137 1.00 17.93 O ATOM 966 CB ARG A 122 26.133 21.390 16.112 1.00 21.50 C ATOM 967 CG ARG A 122 27.395 21.235 16.962 1.00 24.70 C ATOM 968 CD ARG A 122 28.656 21.617 16.265 1.00 27.69 C ATOM 969 NE ARG A 122 29.113 20.611 15.303 1.00 30.84 N ATOM 970 CZ ARG A 122 30.098 20.871 14.416 1.00 32.61 C ATOM 971 NH1 ARG A 122 30.721 22.064 14.449 1.00 33.53 N ATOM 972 NH2 ARG A 122 30.423 19.972 13.483 1.00 31.81 N ATOM 0 H ARG A 122 25.792 19.074 17.011 1.00 16.94 H new ATOM 0 HA ARG A 122 24.802 21.339 17.688 1.00 18.76 H new ATOM 0 HB2 ARG A 122 26.244 20.916 15.273 1.00 21.50 H new ATOM 0 HB3 ARG A 122 25.999 22.326 15.894 1.00 21.50 H new ATOM 0 HG2 ARG A 122 27.303 21.777 17.761 1.00 24.70 H new ATOM 0 HG3 ARG A 122 27.465 20.312 17.252 1.00 24.70 H new ATOM 0 HD2 ARG A 122 28.521 22.459 15.803 1.00 27.69 H new ATOM 0 HD3 ARG A 122 29.351 21.764 16.925 1.00 27.69 H new ATOM 0 HE ARG A 122 28.744 19.834 15.303 1.00 30.84 H new ATOM 0 HH11 ARG A 122 30.491 22.653 15.032 1.00 33.53 H new ATOM 0 HH12 ARG A 122 31.349 22.237 13.888 1.00 33.53 H new ATOM 0 HH21 ARG A 122 30.004 19.222 13.444 1.00 31.81 H new ATOM 0 HH22 ARG A 122 31.051 20.143 12.921 1.00 31.81 H new ATOM 973 N GLN A 123 23.311 20.074 15.217 1.00 18.30 N ATOM 974 CA GLN A 123 22.173 20.080 14.320 1.00 19.53 C ATOM 975 C GLN A 123 20.861 20.529 14.960 1.00 18.97 C ATOM 976 O GLN A 123 20.073 21.262 14.347 1.00 18.84 O ATOM 977 CB GLN A 123 21.906 18.695 13.694 1.00 23.79 C ATOM 978 CG GLN A 123 21.716 17.539 14.638 1.00 27.41 C ATOM 979 CD GLN A 123 21.050 16.356 13.964 1.00 31.11 C ATOM 980 OE1 GLN A 123 19.833 16.281 13.752 1.00 32.71 O ATOM 981 NE2 GLN A 123 21.855 15.345 13.619 1.00 33.11 N ATOM 0 H GLN A 123 23.762 19.343 15.178 1.00 18.30 H new ATOM 0 HA GLN A 123 22.436 20.727 13.647 1.00 19.53 H new ATOM 0 HB2 GLN A 123 21.113 18.764 13.139 1.00 23.79 H new ATOM 0 HB3 GLN A 123 22.647 18.483 13.105 1.00 23.79 H new ATOM 0 HG2 GLN A 123 22.577 17.266 14.991 1.00 27.41 H new ATOM 0 HG3 GLN A 123 21.178 17.825 15.393 1.00 27.41 H new ATOM 0 HE21 GLN A 123 22.700 15.399 13.767 1.00 33.11 H new ATOM 0 HE22 GLN A 123 21.527 14.641 13.249 1.00 33.11 H new ATOM 982 N TYR A 124 20.651 20.036 16.175 1.00 17.56 N ATOM 983 CA TYR A 124 19.412 20.321 16.913 1.00 16.22 C ATOM 984 C TYR A 124 19.235 21.792 17.254 1.00 15.90 C ATOM 985 O TYR A 124 18.041 22.156 17.378 1.00 16.42 O ATOM 986 CB TYR A 124 19.267 19.444 18.156 1.00 13.90 C ATOM 987 CG TYR A 124 19.343 17.981 17.787 1.00 15.23 C ATOM 988 CD1 TYR A 124 18.209 17.301 17.328 1.00 16.28 C ATOM 989 CD2 TYR A 124 20.526 17.274 17.908 1.00 16.58 C ATOM 990 CE1 TYR A 124 18.262 15.959 16.968 1.00 16.72 C ATOM 991 CE2 TYR A 124 20.566 15.914 17.565 1.00 17.37 C ATOM 992 CZ TYR A 124 19.452 15.265 17.103 1.00 15.61 C ATOM 993 OH TYR A 124 19.564 13.946 16.794 1.00 16.44 O ATOM 0 H TYR A 124 21.209 19.534 16.595 1.00 17.56 H new ATOM 0 HA TYR A 124 18.693 20.094 16.303 1.00 16.22 H new ATOM 0 HB2 TYR A 124 19.967 19.659 18.793 1.00 13.90 H new ATOM 0 HB3 TYR A 124 18.420 19.629 18.592 1.00 13.90 H new ATOM 0 HD1 TYR A 124 17.401 17.757 17.262 1.00 16.28 H new ATOM 0 HD2 TYR A 124 21.293 17.699 18.216 1.00 16.58 H new ATOM 0 HE1 TYR A 124 17.504 15.531 16.639 1.00 16.72 H new ATOM 0 HE2 TYR A 124 21.364 15.445 17.653 1.00 17.37 H new ATOM 0 HH TYR A 124 20.057 13.567 17.358 1.00 16.44 H new ATOM 994 N VAL A 125 20.280 22.578 17.376 1.00 14.51 N ATOM 995 CA VAL A 125 20.058 23.997 17.695 1.00 14.57 C ATOM 996 C VAL A 125 20.523 24.913 16.548 1.00 16.39 C ATOM 997 O VAL A 125 20.427 26.150 16.753 1.00 15.53 O ATOM 998 CB VAL A 125 20.806 24.352 18.996 1.00 14.59 C ATOM 999 CG1 VAL A 125 20.275 23.592 20.220 1.00 14.58 C ATOM 1000 CG2 VAL A 125 22.305 24.136 18.774 1.00 14.97 C ATOM 0 H VAL A 125 21.101 22.337 17.285 1.00 14.51 H new ATOM 0 HA VAL A 125 19.106 24.138 17.815 1.00 14.57 H new ATOM 0 HB VAL A 125 20.646 25.286 19.203 1.00 14.59 H new ATOM 0 HG11 VAL A 125 20.779 23.853 21.007 1.00 14.58 H new ATOM 0 HG12 VAL A 125 19.338 23.805 20.352 1.00 14.58 H new ATOM 0 HG13 VAL A 125 20.372 22.638 20.076 1.00 14.58 H new ATOM 0 HG21 VAL A 125 22.788 24.356 19.586 1.00 14.97 H new ATOM 0 HG22 VAL A 125 22.468 23.208 18.543 1.00 14.97 H new ATOM 0 HG23 VAL A 125 22.611 24.707 18.052 1.00 14.97 H new ATOM 1001 N GLN A 126 21.007 24.354 15.456 1.00 17.13 N ATOM 1002 CA GLN A 126 21.505 25.243 14.380 1.00 19.76 C ATOM 1003 C GLN A 126 20.389 26.158 13.877 1.00 18.69 C ATOM 1004 O GLN A 126 19.269 25.729 13.594 1.00 18.82 O ATOM 1005 CB GLN A 126 22.233 24.501 13.280 1.00 24.71 C ATOM 1006 CG GLN A 126 21.389 23.617 12.401 1.00 30.52 C ATOM 1007 CD GLN A 126 22.140 22.863 11.327 1.00 34.44 C ATOM 1008 OE1 GLN A 126 23.414 23.203 11.127 1.00 37.45 O flip ATOM 1009 NE2 GLN A 126 21.593 21.948 10.672 1.00 35.88 N flip ATOM 0 H GLN A 126 21.063 23.509 15.305 1.00 17.13 H new ATOM 0 HA GLN A 126 22.187 25.816 14.764 1.00 19.76 H new ATOM 0 HB2 GLN A 126 22.680 25.153 12.717 1.00 24.71 H new ATOM 0 HB3 GLN A 126 22.924 23.955 13.686 1.00 24.71 H new ATOM 0 HG2 GLN A 126 20.927 22.975 12.962 1.00 30.52 H new ATOM 0 HG3 GLN A 126 20.709 24.163 11.976 1.00 30.52 H new ATOM 0 HE21 GLN A 126 20.770 21.747 10.819 1.00 35.88 H new ATOM 0 HE22 GLN A 126 22.040 21.520 10.075 1.00 35.88 H new ATOM 1010 N GLY A 127 20.729 27.438 13.783 1.00 18.14 N ATOM 1011 CA GLY A 127 19.911 28.529 13.333 1.00 16.26 C ATOM 1012 C GLY A 127 18.759 28.957 14.201 1.00 16.55 C ATOM 1013 O GLY A 127 17.883 29.742 13.710 1.00 16.52 O ATOM 0 H GLY A 127 21.517 27.703 14.003 1.00 18.14 H new ATOM 0 HA2 GLY A 127 20.487 29.299 13.205 1.00 16.26 H new ATOM 0 HA3 GLY A 127 19.555 28.293 12.462 1.00 16.26 H new ATOM 1014 N CYS A 128 18.719 28.536 15.452 1.00 13.95 N ATOM 1015 CA CYS A 128 17.614 28.908 16.342 1.00 13.55 C ATOM 1016 C CYS A 128 17.871 30.208 17.087 1.00 14.79 C ATOM 1017 O CYS A 128 16.950 30.661 17.795 1.00 15.66 O ATOM 1018 CB CYS A 128 17.310 27.786 17.347 1.00 10.85 C ATOM 1019 SG CYS A 128 16.926 26.229 16.500 1.00 11.27 S ATOM 0 H CYS A 128 19.317 28.034 15.813 1.00 13.95 H new ATOM 0 HA CYS A 128 16.843 29.045 15.770 1.00 13.55 H new ATOM 0 HB2 CYS A 128 18.072 27.658 17.933 1.00 10.85 H new ATOM 0 HB3 CYS A 128 16.562 28.045 17.907 1.00 10.85 H new ATOM 1020 N GLY A 129 19.066 30.753 16.969 1.00 15.83 N ATOM 1021 CA GLY A 129 19.397 32.014 17.662 1.00 17.77 C ATOM 1022 C GLY A 129 19.602 31.784 19.129 1.00 19.99 C ATOM 1023 O GLY A 129 19.337 32.724 19.913 1.00 22.66 O ATOM 0 H GLY A 129 19.706 30.422 16.499 1.00 15.83 H new ATOM 0 HA2 GLY A 129 20.200 32.398 17.276 1.00 17.77 H new ATOM 0 HA3 GLY A 129 18.683 32.657 17.529 1.00 17.77 H new ATOM 1024 N VAL A 130 20.033 30.614 19.563 1.00 20.46 N ATOM 1025 CA VAL A 130 20.254 30.375 20.999 1.00 22.48 C ATOM 1026 C VAL A 130 21.770 30.232 21.247 1.00 24.19 C ATOM 1027 O VAL A 130 22.446 30.028 20.210 1.00 24.83 O ATOM 1028 CB VAL A 130 19.500 29.161 21.547 1.00 22.21 C ATOM 1029 CG1 VAL A 130 17.991 29.341 21.536 1.00 22.37 C ATOM 1030 CG2 VAL A 130 19.903 27.901 20.783 1.00 22.51 C ATOM 1031 OXT VAL A 130 22.093 30.300 22.454 1.00 26.10 O ATOM 0 H VAL A 130 20.206 29.942 19.055 1.00 20.46 H new ATOM 0 HA VAL A 130 19.896 31.137 21.480 1.00 22.48 H new ATOM 0 HB VAL A 130 19.755 29.068 22.478 1.00 22.21 H new ATOM 0 HG11 VAL A 130 17.567 28.545 21.892 1.00 22.37 H new ATOM 0 HG12 VAL A 130 17.752 30.106 22.083 1.00 22.37 H new ATOM 0 HG13 VAL A 130 17.689 29.488 20.626 1.00 22.37 H new ATOM 0 HG21 VAL A 130 19.420 27.139 21.138 1.00 22.51 H new ATOM 0 HG22 VAL A 130 19.689 28.010 19.843 1.00 22.51 H new ATOM 0 HG23 VAL A 130 20.857 27.753 20.882 1.00 22.51 H new TER 1032 VAL A 130 HETATM 1033 O HOH A 131 12.455 19.133 13.247 1.00 23.48 O HETATM 1034 O HOH A 132 4.292 18.397 13.599 1.00 39.59 O HETATM 1035 O HOH A 133 12.113 25.350 13.871 1.00 16.47 O HETATM 1036 O HOH A 134 17.589 14.128 14.002 1.00 58.90 O HETATM 1037 O HOH A 135 10.620 20.841 14.126 1.00 18.69 O HETATM 1038 O HOH A 136 26.985 12.206 14.474 1.00 12.96 O HETATM 1039 O HOH A 137 14.866 18.093 14.951 1.00 11.26 O HETATM 1040 O HOH A 138 10.908 29.381 15.135 1.00 23.62 O HETATM 1041 O HOH A 139 8.279 19.378 15.353 1.00 17.81 O HETATM 1042 O HOH A 140 28.811 9.184 15.326 1.00 17.51 O HETATM 1043 O HOH A 141 4.251 21.794 15.508 1.00 34.94 O HETATM 1044 O HOH A 142 10.466 26.824 15.605 1.00 21.55 O HETATM 1045 O HOH A 143 8.194 16.798 15.518 1.00 31.38 O HETATM 1046 O HOH A 144 10.868 13.669 15.720 1.00 72.41 O HETATM 1047 O HOH A 145 21.676 12.708 16.947 1.00 28.09 O HETATM 1048 O HOH A 146 5.731 14.330 17.469 1.00 41.85 O HETATM 1049 O HOH A 147 21.445 28.543 17.505 1.00 22.64 O HETATM 1050 O HOH A 148 8.990 34.073 18.617 1.00 53.68 O HETATM 1051 O HOH A 149 28.092 18.590 18.749 1.00 38.74 O HETATM 1052 O HOH A 150 9.028 31.086 18.661 1.00 34.42 O HETATM 1053 O HOH A 151 14.041 6.348 19.196 1.00 50.26 O HETATM 1054 O HOH A 152 4.860 12.034 19.911 1.00 29.38 O HETATM 1055 O HOH A 153 24.976 7.673 20.359 1.00 21.23 O HETATM 1056 O HOH A 154 16.525 4.802 21.133 1.00 23.60 O HETATM 1057 O HOH A 155 4.700 8.974 21.509 1.00 35.20 O HETATM 1058 O HOH A 156 0.518 17.386 21.595 1.00 11.05 O HETATM 1059 O HOH A 157 -2.360 22.383 22.399 1.00 26.97 O HETATM 1060 O HOH A 158 26.511 21.486 22.426 1.00 19.47 O HETATM 1061 O HOH A 159 24.175 23.687 22.793 1.00 7.51 O HETATM 1062 O HOH A 160 9.807 6.855 23.232 1.00 65.81 O HETATM 1063 O HOH A 161 2.225 9.040 22.587 1.00 51.52 O HETATM 1064 O HOH A 162 26.686 5.445 22.959 1.00 26.41 O HETATM 1065 O HOH A 163 26.261 14.370 23.223 1.00 19.91 O HETATM 1066 O HOH A 164 -2.077 20.100 23.098 1.00 49.99 O HETATM 1067 O HOH A 165 4.532 5.340 23.524 1.00 43.15 O HETATM 1068 O HOH A 166 6.456 7.196 24.000 1.00 47.48 O HETATM 1069 O HOH A 167 15.615 32.175 24.610 1.00 23.34 O HETATM 1070 O HOH A 168 1.487 3.313 25.453 1.00 34.48 O HETATM 1071 O HOH A 169 4.184 25.536 25.589 1.00 29.22 O HETATM 1072 O HOH A 170 -2.519 25.395 25.556 1.00 45.40 O HETATM 1073 O HOH A 171 1.958 26.833 26.396 1.00 57.21 O HETATM 1074 O HOH A 172 9.169 6.267 25.963 1.00 25.92 O HETATM 1075 O HOH A 173 0.010 18.816 26.426 1.00 18.04 O HETATM 1076 O HOH A 174 14.965 6.374 27.093 1.00 10.23 O HETATM 1077 O HOH A 175 26.931 18.702 27.465 1.00 8.18 O HETATM 1078 O HOH A 176 -2.121 16.178 27.816 1.00 33.84 O HETATM 1079 O HOH A 177 6.233 26.351 27.880 1.00 15.08 O HETATM 1080 O HOH A 178 -0.678 4.938 28.197 1.00 48.41 O HETATM 1081 O HOH A 179 10.381 29.824 28.466 1.00 31.98 O HETATM 1082 O HOH A 180 7.716 29.088 28.735 1.00 37.04 O HETATM 1083 O HOH A 181 8.467 -2.932 28.966 1.00 25.95 O HETATM 1084 O HOH A 182 6.065 17.157 29.006 1.00 12.37 O HETATM 1085 O HOH A 183 12.034 7.177 29.524 1.00 28.39 O HETATM 1086 O HOH A 184 19.668 28.332 29.579 1.00 13.20 O HETATM 1087 O HOH A 185 -1.089 23.667 29.710 1.00 10.69 O HETATM 1088 O HOH A 186 4.813 19.581 29.755 1.00 14.56 O HETATM 1089 O HOH A 187 15.747 5.089 29.996 1.00 29.70 O HETATM 1090 O HOH A 188 8.296 14.994 30.310 1.00 7.46 O HETATM 1091 O HOH A 189 11.243 3.832 30.953 1.00 40.30 O HETATM 1092 O HOH A 190 -0.283 4.186 31.090 1.00 20.67 O HETATM 1093 O HOH A 191 5.151 32.363 31.212 1.00 36.03 O HETATM 1094 O HOH A 192 24.932 5.029 31.228 1.00 63.76 O HETATM 1095 O HOH A 193 -2.285 17.391 32.026 1.00 15.19 O HETATM 1096 O HOH A 194 6.583 29.828 32.099 1.00 22.28 O HETATM 1097 O HOH A 195 1.991 -5.038 32.515 1.00 25.29 O HETATM 1098 O HOH A 196 -1.211 6.630 32.500 1.00 25.55 O HETATM 1099 O HOH A 197 5.008 20.505 32.412 1.00 9.40 O HETATM 1100 O HOH A 198 -1.739 23.800 32.401 1.00 29.45 O HETATM 1101 O HOH A 199 15.478 8.853 32.668 1.00 31.37 O HETATM 1102 O HOH A 200 12.498 8.673 32.853 1.00 23.19 O HETATM 1103 O HOH A 201 -0.059 27.353 32.859 1.00 53.35 O HETATM 1104 O HOH A 202 18.419 4.884 33.722 1.00 60.28 O HETATM 1105 O HOH A 203 4.374 23.395 33.821 1.00 18.54 O HETATM 1106 O HOH A 204 4.758 28.433 34.559 1.00 35.77 O HETATM 1107 O HOH A 205 24.592 15.993 34.862 1.00 17.89 O HETATM 1108 O HOH A 206 2.026 3.420 35.055 1.00 10.05 O HETATM 1109 O HOH A 207 -2.198 18.734 35.253 1.00 18.51 O HETATM 1110 O HOH A 208 10.859 2.010 35.270 1.00 15.02 O HETATM 1111 O HOH A 209 10.628 25.463 35.309 1.00 22.17 O HETATM 1112 O HOH A 210 0.833 0.553 35.980 1.00 33.32 O HETATM 1113 O HOH A 211 13.363 25.211 36.573 1.00 20.65 O HETATM 1114 O HOH A 212 20.183 10.825 36.671 1.00 22.54 O HETATM 1115 O HOH A 213 23.977 23.787 36.997 1.00 26.95 O HETATM 1116 O HOH A 214 18.956 8.515 37.153 1.00 38.25 O HETATM 1117 O HOH A 215 26.256 22.780 37.381 1.00 49.44 O HETATM 1118 O HOH A 216 24.675 15.110 37.881 1.00 18.85 O HETATM 1119 O HOH A 217 21.697 7.974 38.772 1.00 25.08 O HETATM 1120 O HOH A 218 0.479 -3.956 38.986 1.00 42.80 O HETATM 1121 O HOH A 219 24.944 1.921 28.330 1.00 30.00 O HETATM 1122 O HOH A 220 16.649 6.375 39.634 1.00 63.62 O HETATM 1123 O HOH A 221 13.543 24.039 39.418 1.00 37.05 O HETATM 1124 O HOH A 222 14.377 20.922 39.891 1.00 23.83 O HETATM 1125 O HOH A 223 9.537 18.840 40.015 1.00 46.55 O HETATM 1126 O HOH A 224 3.691 6.431 40.326 1.00 11.10 O HETATM 1127 O HOH A 225 1.182 18.181 40.401 1.00 5.00 O HETATM 1128 O HOH A 226 19.854 22.578 41.525 1.00 66.84 O HETATM 1129 O HOH A 227 5.893 7.395 41.039 1.00 6.11 O HETATM 1130 O HOH A 228 2.654 20.712 41.792 1.00 30.84 O HETATM 1131 O HOH A 229 2.530 4.674 42.008 1.00 11.85 O HETATM 1132 O HOH A 230 11.333 0.378 42.222 1.00 38.46 O HETATM 1133 O HOH A 231 -2.958 1.977 42.546 1.00 44.29 O HETATM 1134 O HOH A 232 5.799 20.095 43.084 1.00 41.05 O HETATM 1135 O HOH A 233 0.076 13.027 42.922 1.00 5.00 O HETATM 1136 O HOH A 234 11.065 3.584 43.180 1.00 45.03 O HETATM 1137 O HOH A 235 4.729 7.370 43.067 1.00 16.26 O HETATM 1138 O HOH A 236 0.443 0.700 42.613 1.00 54.10 O HETATM 1139 O HOH A 237 0.253 17.597 43.381 1.00 16.94 O HETATM 1140 O HOH A 238 24.680 25.684 24.429 1.00 28.20 O HETATM 1141 O HOH A 239 2.651 14.944 43.844 1.00 21.43 O HETATM 1142 O HOH A 240 1.942 5.834 44.464 1.00 46.44 O HETATM 1143 O HOH A 241 13.603 14.422 45.574 1.00 33.58 O HETATM 1144 O HOH A 242 4.880 7.757 45.821 1.00 23.41 O HETATM 1145 O HOH A 243 3.482 10.737 46.043 1.00 21.81 O HETATM 1146 O HOH A 244 14.136 11.564 46.286 1.00 50.34 O HETATM 1147 O HOH A 245 8.691 1.508 47.403 1.00 83.70 O CONECT 53 1019 CONECT 243 918 CONECT 536 644 CONECT 614 740 CONECT 644 536 CONECT 740 614 CONECT 918 243 CONECT 1019 53 END