USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE(O-GLYCOSYL) 27-MAR-92 1LHI 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 1LHI 1 VERSN REVDAT 1 31-JAN-94 1LHI 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. 266 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 KINITICS 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 : 9952 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) : 0.156 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 : 1026 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 123 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) : 0.017 ; 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 1LHI 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 (%): 37.85 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 28.29500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.91500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.35500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.91500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.29500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.35500 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 CD ARG A 115 O HOH A 211 2554 1.49 REMARK 500 CB ARG A 115 O HOH A 211 2554 1.81 REMARK 500 CG ARG A 115 O HOH A 211 2554 1.99 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. = -3.3 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 5.9 DEGREES REMARK 500 ASP A 18 CB - CG - OD2 ANGL. DEV. = -7.8 DEGREES REMARK 500 TYR A 45 CB - CG - CD2 ANGL. DEV. = -3.8 DEGREES REMARK 500 ASP A 49 CB - CG - OD1 ANGL. DEV. = 7.2 DEGREES REMARK 500 ARG A 50 CD - NE - CZ ANGL. DEV. = 16.0 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 6.9 DEGREES REMARK 500 ARG A 50 NE - CZ - NH2 ANGL. DEV. = -5.3 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -7.0 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 8.0 DEGREES REMARK 500 ASP A 87 CB - CG - OD2 ANGL. DEV. = -6.1 DEGREES REMARK 500 ARG A 98 NE - CZ - NH1 ANGL. DEV. = -4.1 DEGREES REMARK 500 ARG A 98 NE - CZ - NH2 ANGL. DEV. = 6.1 DEGREES REMARK 500 ARG A 101 NE - CZ - NH1 ANGL. DEV. = 6.2 DEGREES REMARK 500 ARG A 101 NE - CZ - NH2 ANGL. DEV. = -4.3 DEGREES REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 115 NE - CZ - NH2 ANGL. DEV. = -6.7 DEGREES REMARK 500 ASP A 120 CB - CG - OD2 ANGL. DEV. = -6.7 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 131 DISTANCE = 5.71 ANGSTROMS DBREF 1LHI A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1LHI GLY A 71 UNP P61626 PRO 89 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 ALA 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 GLY 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 *123(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 2.07 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.01 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.07 SSBOND *** CYS A 77 CYS A 95 1555 1555 2.01 CRYST1 56.590 60.710 33.830 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 0.017671 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016472 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029560 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 137:sc= 1.28 USER MOD Set 1.2: A 70 THR OG1 : rot 77:sc= 2.36 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.0389 X(o=4.4,f=4.4) USER MOD Set 2.2: A 51 SER OG : rot -55:sc= 1.49 USER MOD Set 2.3: A 60 ASN : amide:sc= 2.99 K(o=4.4,f=-2.5!) USER MOD Set 3.1: A 24 SER OG : rot 166:sc= 0.386 USER MOD Set 3.2: A 27 ASN : amide:sc= 1.54 K(o=1.9,f=-0.39!) USER MOD Set 4.1: A 1 LYS N :NH3+ 170:sc= 3.01 (180deg=1.5) USER MOD Set 4.2: A 40 THR OG1 : rot 109:sc= 1.67 USER MOD Single : A 1 LYS NZ :NH3+ -175:sc= 1.01 (180deg=0.995) USER MOD Single : A 11 THR OG1 : rot 76:sc= 1.11 USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= -0.0491 (180deg=-0.235) USER MOD Single : A 17 MET CE :methyl 166:sc= -0.305 (180deg=-0.951) USER MOD Single : A 20 TYR OH : rot 30:sc= 0.315 USER MOD Single : A 29 MET CE :methyl -166:sc= -0.681 (180deg=-0.905) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 0.0229 (180deg=0.00337) USER MOD Single : A 36 SER OG : rot -98:sc= 1.03 USER MOD Single : A 38 TYR OH : rot 180:sc= 0.893 USER MOD Single : A 39 ASN : amide:sc= 1.19 K(o=1.2,f=-5.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.0198 X(o=0.02,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc=-0.00811 USER MOD Single : A 52 THR OG1 : rot -37:sc= 1.67 USER MOD Single : A 54 TYR OH : rot -175:sc= 2.64 USER MOD Single : A 58 GLN : amide:sc= 1.28 X(o=1.3,f=1.1) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.747 K(o=0.75,f=-0.76) USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= 1.25 (180deg=0.69) USER MOD Single : A 75 ASN : amide:sc= 0.551 K(o=0.55,f=-6.1!) 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= 0.101 USER MOD Single : A 82 SER OG : rot 2:sc= 0.782 USER MOD Single : A 86 GLN : amide:sc= 2.26 K(o=2.3,f=1.2) USER MOD Single : A 88 ASN : amide:sc= 1.15 K(o=1.2,f=-6.6!) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 1.64 (180deg=1.57) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.683 K(o=-0.68,f=-1.3!) USER MOD Single : A 117 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.46) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 TYR OH : rot -169:sc= 1.43 USER MOD Single : A 126 GLN : amide:sc= -0.078 X(o=-0.078,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.157 19.371 23.049 1.00 10.70 N ATOM 2 CA LYS A 1 1.537 20.212 21.888 1.00 12.57 C ATOM 3 C LYS A 1 2.812 19.599 21.254 1.00 12.24 C ATOM 4 O LYS A 1 3.555 18.925 21.992 1.00 12.09 O ATOM 5 CB LYS A 1 1.699 21.632 22.265 1.00 14.23 C ATOM 6 CG LYS A 1 3.028 22.227 22.586 1.00 16.30 C ATOM 7 CD LYS A 1 3.038 23.730 22.724 1.00 19.25 C ATOM 8 CE LYS A 1 4.039 24.385 21.771 1.00 21.80 C ATOM 9 NZ LYS A 1 4.295 25.761 22.240 1.00 24.26 N ATOM 0 H1 LYS A 1 0.518 19.779 23.515 1.00 10.70 H new ATOM 0 H2 LYS A 1 0.857 18.584 22.760 1.00 10.70 H new ATOM 0 H3 LYS A 1 1.868 19.244 23.569 1.00 10.70 H new ATOM 0 HA LYS A 1 0.827 20.214 21.227 1.00 12.57 H new ATOM 0 HB2 LYS A 1 1.328 22.157 21.538 1.00 14.23 H new ATOM 0 HB3 LYS A 1 1.134 21.780 23.039 1.00 14.23 H new ATOM 0 HG2 LYS A 1 3.350 21.838 23.414 1.00 16.30 H new ATOM 0 HG3 LYS A 1 3.656 21.975 21.891 1.00 16.30 H new ATOM 0 HD2 LYS A 1 2.149 24.076 22.547 1.00 19.25 H new ATOM 0 HD3 LYS A 1 3.259 23.969 23.638 1.00 19.25 H new ATOM 0 HE2 LYS A 1 4.865 23.877 21.748 1.00 21.80 H new ATOM 0 HE3 LYS A 1 3.687 24.396 20.867 1.00 21.80 H new ATOM 0 HZ1 LYS A 1 4.819 26.181 21.656 1.00 24.26 H new ATOM 0 HZ2 LYS A 1 3.523 26.198 22.313 1.00 24.26 H new ATOM 0 HZ3 LYS A 1 4.697 25.734 23.034 1.00 24.26 H new ATOM 10 N VAL A 2 2.975 19.858 19.988 1.00 10.80 N ATOM 11 CA VAL A 2 4.136 19.388 19.215 1.00 11.91 C ATOM 12 C VAL A 2 4.964 20.641 18.934 1.00 11.02 C ATOM 13 O VAL A 2 4.566 21.456 18.121 1.00 10.91 O ATOM 14 CB VAL A 2 3.776 18.604 17.938 1.00 13.09 C ATOM 15 CG1 VAL A 2 4.967 18.251 17.072 1.00 13.57 C ATOM 16 CG2 VAL A 2 3.008 17.308 18.257 1.00 10.84 C ATOM 0 H VAL A 2 2.415 20.319 19.526 1.00 10.80 H new ATOM 0 HA VAL A 2 4.637 18.731 19.723 1.00 11.91 H new ATOM 0 HB VAL A 2 3.213 19.215 17.437 1.00 13.09 H new ATOM 0 HG11 VAL A 2 4.666 17.761 16.291 1.00 13.57 H new ATOM 0 HG12 VAL A 2 5.415 19.064 16.790 1.00 13.57 H new ATOM 0 HG13 VAL A 2 5.585 17.701 17.579 1.00 13.57 H new ATOM 0 HG21 VAL A 2 2.800 16.844 17.431 1.00 10.84 H new ATOM 0 HG22 VAL A 2 3.555 16.737 18.819 1.00 10.84 H new ATOM 0 HG23 VAL A 2 2.185 17.525 18.722 1.00 10.84 H new ATOM 17 N PHE A 3 6.057 20.770 19.683 1.00 10.42 N ATOM 18 CA PHE A 3 6.909 21.950 19.435 1.00 10.29 C ATOM 19 C PHE A 3 7.664 21.827 18.083 1.00 10.07 C ATOM 20 O PHE A 3 7.919 20.720 17.638 1.00 9.51 O ATOM 21 CB PHE A 3 8.078 22.016 20.481 1.00 9.78 C ATOM 22 CG PHE A 3 7.699 22.639 21.790 1.00 9.24 C ATOM 23 CD1 PHE A 3 7.926 23.988 21.995 1.00 7.93 C ATOM 24 CD2 PHE A 3 7.087 21.862 22.780 1.00 10.12 C ATOM 25 CE1 PHE A 3 7.596 24.575 23.183 1.00 10.01 C ATOM 26 CE2 PHE A 3 6.720 22.467 24.001 1.00 11.88 C ATOM 27 CZ PHE A 3 6.986 23.842 24.221 1.00 10.04 C ATOM 0 H PHE A 3 6.317 20.231 20.300 1.00 10.42 H new ATOM 0 HA PHE A 3 6.312 22.714 19.468 1.00 10.29 H new ATOM 0 HB2 PHE A 3 8.403 21.117 20.645 1.00 9.78 H new ATOM 0 HB3 PHE A 3 8.814 22.518 20.097 1.00 9.78 H new ATOM 0 HD1 PHE A 3 8.307 24.500 21.318 1.00 7.93 H new ATOM 0 HD2 PHE A 3 6.924 20.958 22.635 1.00 10.12 H new ATOM 0 HE1 PHE A 3 7.778 25.478 23.310 1.00 10.01 H new ATOM 0 HE2 PHE A 3 6.303 21.963 24.662 1.00 11.88 H new ATOM 0 HZ PHE A 3 6.764 24.249 25.027 1.00 10.04 H new ATOM 28 N GLU A 4 7.987 23.004 17.579 1.00 11.33 N ATOM 29 CA GLU A 4 8.833 23.130 16.395 1.00 14.13 C ATOM 30 C GLU A 4 10.267 23.160 17.011 1.00 13.43 C ATOM 31 O GLU A 4 10.362 23.609 18.159 1.00 13.28 O ATOM 32 CB GLU A 4 8.747 24.456 15.697 1.00 19.98 C ATOM 33 CG GLU A 4 7.414 25.060 15.358 1.00 28.50 C ATOM 34 CD GLU A 4 6.876 24.554 14.048 1.00 32.03 C ATOM 35 OE1 GLU A 4 7.001 25.185 13.006 1.00 35.46 O ATOM 36 OE2 GLU A 4 6.360 23.439 14.244 1.00 35.47 O ATOM 0 H GLU A 4 7.726 23.754 17.909 1.00 11.33 H new ATOM 0 HA GLU A 4 8.592 22.434 15.764 1.00 14.13 H new ATOM 0 HB2 GLU A 4 9.220 25.099 16.248 1.00 19.98 H new ATOM 0 HB3 GLU A 4 9.243 24.374 14.867 1.00 19.98 H new ATOM 0 HG2 GLU A 4 6.781 24.859 16.065 1.00 28.50 H new ATOM 0 HG3 GLU A 4 7.499 26.026 15.319 1.00 28.50 H new ATOM 37 N ARG A 5 11.234 22.686 16.266 1.00 13.24 N ATOM 38 CA ARG A 5 12.626 22.652 16.753 1.00 12.02 C ATOM 39 C ARG A 5 13.131 23.927 17.387 1.00 10.97 C ATOM 40 O ARG A 5 13.481 23.891 18.614 1.00 10.46 O ATOM 41 CB ARG A 5 13.584 22.239 15.599 1.00 13.71 C ATOM 42 CG ARG A 5 14.992 21.877 16.127 1.00 13.68 C ATOM 43 CD ARG A 5 15.857 21.350 15.014 1.00 13.57 C ATOM 44 NE ARG A 5 15.931 22.312 13.928 1.00 15.29 N ATOM 45 CZ ARG A 5 16.873 23.261 13.746 1.00 16.79 C ATOM 46 NH1 ARG A 5 16.845 24.019 12.651 1.00 16.89 N ATOM 47 NH2 ARG A 5 17.846 23.477 14.641 1.00 15.22 N ATOM 0 H ARG A 5 11.124 22.375 15.472 1.00 13.24 H new ATOM 0 HA ARG A 5 12.619 21.994 17.466 1.00 12.02 H new ATOM 0 HB2 ARG A 5 13.211 21.480 15.124 1.00 13.71 H new ATOM 0 HB3 ARG A 5 13.654 22.966 14.961 1.00 13.71 H new ATOM 0 HG2 ARG A 5 15.406 22.660 16.522 1.00 13.68 H new ATOM 0 HG3 ARG A 5 14.918 21.211 16.829 1.00 13.68 H new ATOM 0 HD2 ARG A 5 16.748 21.164 15.350 1.00 13.57 H new ATOM 0 HD3 ARG A 5 15.496 20.511 14.686 1.00 13.57 H new ATOM 0 HE ARG A 5 15.307 22.272 13.337 1.00 15.29 H new ATOM 0 HH11 ARG A 5 16.228 23.903 12.063 1.00 16.89 H new ATOM 0 HH12 ARG A 5 17.444 24.625 12.532 1.00 16.89 H new ATOM 0 HH21 ARG A 5 17.884 23.004 15.358 1.00 15.22 H new ATOM 0 HH22 ARG A 5 18.433 24.089 14.499 1.00 15.22 H new ATOM 48 N CYS A 6 13.239 25.032 16.676 1.00 10.00 N ATOM 49 CA CYS A 6 13.789 26.270 17.271 1.00 9.71 C ATOM 50 C CYS A 6 12.925 26.888 18.349 1.00 11.68 C ATOM 51 O CYS A 6 13.458 27.544 19.279 1.00 11.14 O ATOM 52 CB CYS A 6 14.183 27.260 16.200 1.00 11.05 C ATOM 53 SG CYS A 6 15.499 26.545 15.122 1.00 13.51 S ATOM 0 H CYS A 6 13.006 25.102 15.851 1.00 10.00 H new ATOM 0 HA CYS A 6 14.594 26.002 17.742 1.00 9.71 H new ATOM 0 HB2 CYS A 6 13.408 27.493 15.665 1.00 11.05 H new ATOM 0 HB3 CYS A 6 14.501 28.080 16.609 1.00 11.05 H new ATOM 54 N GLU A 7 11.599 26.667 18.228 1.00 11.98 N ATOM 55 CA GLU A 7 10.709 27.194 19.303 1.00 11.64 C ATOM 56 C GLU A 7 11.072 26.515 20.616 1.00 9.34 C ATOM 57 O GLU A 7 11.202 27.144 21.712 1.00 9.94 O ATOM 58 CB GLU A 7 9.256 26.897 18.925 1.00 15.50 C ATOM 59 CG GLU A 7 8.142 27.209 19.897 1.00 18.47 C ATOM 60 CD GLU A 7 6.795 26.549 19.590 1.00 20.02 C ATOM 61 OE1 GLU A 7 6.567 25.645 18.766 1.00 20.29 O ATOM 62 OE2 GLU A 7 5.940 27.027 20.364 1.00 20.23 O ATOM 0 H GLU A 7 11.213 26.247 17.584 1.00 11.98 H new ATOM 0 HA GLU A 7 10.819 28.152 19.404 1.00 11.64 H new ATOM 0 HB2 GLU A 7 9.067 27.380 18.105 1.00 15.50 H new ATOM 0 HB3 GLU A 7 9.200 25.951 18.716 1.00 15.50 H new ATOM 0 HG2 GLU A 7 8.423 26.937 20.785 1.00 18.47 H new ATOM 0 HG3 GLU A 7 8.015 28.170 19.922 1.00 18.47 H new ATOM 63 N LEU A 8 11.263 25.192 20.569 1.00 9.90 N ATOM 64 CA LEU A 8 11.634 24.466 21.812 1.00 8.92 C ATOM 65 C LEU A 8 13.025 24.914 22.312 1.00 9.27 C ATOM 66 O LEU A 8 13.208 25.053 23.517 1.00 8.20 O ATOM 67 CB LEU A 8 11.581 22.965 21.601 1.00 9.00 C ATOM 68 CG LEU A 8 11.969 22.061 22.769 1.00 8.02 C ATOM 69 CD1 LEU A 8 11.042 22.221 23.939 1.00 6.89 C ATOM 70 CD2 LEU A 8 12.096 20.613 22.298 1.00 9.26 C ATOM 0 H LEU A 8 11.189 24.706 19.864 1.00 9.90 H new ATOM 0 HA LEU A 8 10.985 24.688 22.498 1.00 8.92 H new ATOM 0 HB2 LEU A 8 10.677 22.734 21.335 1.00 9.00 H new ATOM 0 HB3 LEU A 8 12.161 22.750 20.854 1.00 9.00 H new ATOM 0 HG LEU A 8 12.841 22.336 23.094 1.00 8.02 H new ATOM 0 HD11 LEU A 8 11.322 21.632 24.657 1.00 6.89 H new ATOM 0 HD12 LEU A 8 11.066 23.140 24.248 1.00 6.89 H new ATOM 0 HD13 LEU A 8 10.138 21.995 23.669 1.00 6.89 H new ATOM 0 HD21 LEU A 8 12.343 20.049 23.048 1.00 9.26 H new ATOM 0 HD22 LEU A 8 11.247 20.315 21.935 1.00 9.26 H new ATOM 0 HD23 LEU A 8 12.779 20.554 21.612 1.00 9.26 H new ATOM 71 N ALA A 9 13.986 25.046 21.380 1.00 10.14 N ATOM 72 CA ALA A 9 15.359 25.418 21.826 1.00 9.61 C ATOM 73 C ALA A 9 15.307 26.720 22.590 1.00 9.85 C ATOM 74 O ALA A 9 15.901 26.837 23.675 1.00 9.03 O ATOM 75 CB ALA A 9 16.214 25.515 20.550 1.00 8.52 C ATOM 0 H ALA A 9 13.882 24.934 20.534 1.00 10.14 H new ATOM 0 HA ALA A 9 15.746 24.764 22.429 1.00 9.61 H new ATOM 0 HB1 ALA A 9 17.123 25.756 20.787 1.00 8.52 H new ATOM 0 HB2 ALA A 9 16.215 24.658 20.095 1.00 8.52 H new ATOM 0 HB3 ALA A 9 15.843 26.192 19.962 1.00 8.52 H new ATOM 76 N ARG A 10 14.564 27.697 22.062 1.00 8.91 N ATOM 77 CA ARG A 10 14.448 29.032 22.737 1.00 9.65 C ATOM 78 C ARG A 10 13.750 28.905 24.079 1.00 9.92 C ATOM 79 O ARG A 10 14.196 29.537 25.075 1.00 10.13 O ATOM 80 CB ARG A 10 13.842 30.082 21.847 1.00 11.44 C ATOM 81 CG ARG A 10 14.665 30.404 20.593 1.00 12.51 C ATOM 82 CD ARG A 10 14.023 31.531 19.867 1.00 15.35 C ATOM 83 NE ARG A 10 12.864 31.157 19.102 1.00 15.25 N ATOM 84 CZ ARG A 10 12.827 30.744 17.832 1.00 15.96 C ATOM 85 NH1 ARG A 10 11.655 30.455 17.262 1.00 15.43 N ATOM 86 NH2 ARG A 10 13.971 30.617 17.164 1.00 14.96 N ATOM 0 H ARG A 10 14.121 27.626 21.328 1.00 8.91 H new ATOM 0 HA ARG A 10 15.347 29.347 22.917 1.00 9.65 H new ATOM 0 HB2 ARG A 10 12.959 29.788 21.574 1.00 11.44 H new ATOM 0 HB3 ARG A 10 13.724 30.896 22.361 1.00 11.44 H new ATOM 0 HG2 ARG A 10 15.573 30.639 20.840 1.00 12.51 H new ATOM 0 HG3 ARG A 10 14.720 29.624 20.019 1.00 12.51 H new ATOM 0 HD2 ARG A 10 13.768 32.212 20.509 1.00 15.35 H new ATOM 0 HD3 ARG A 10 14.675 31.932 19.272 1.00 15.35 H new ATOM 0 HE ARG A 10 12.108 31.205 19.509 1.00 15.25 H new ATOM 0 HH11 ARG A 10 10.927 30.535 17.712 1.00 15.43 H new ATOM 0 HH12 ARG A 10 11.628 30.189 16.445 1.00 15.43 H new ATOM 0 HH21 ARG A 10 14.717 30.800 17.551 1.00 14.96 H new ATOM 0 HH22 ARG A 10 13.964 30.352 16.346 1.00 14.96 H new ATOM 87 N THR A 11 12.749 28.041 24.144 1.00 9.20 N ATOM 88 CA THR A 11 12.034 27.820 25.405 1.00 10.11 C ATOM 89 C THR A 11 12.931 27.225 26.500 1.00 9.95 C ATOM 90 O THR A 11 12.879 27.686 27.665 1.00 9.64 O ATOM 91 CB THR A 11 10.794 26.856 25.149 1.00 11.64 C ATOM 92 OG1 THR A 11 9.982 27.501 24.121 1.00 14.40 O ATOM 93 CG2 THR A 11 9.941 26.689 26.415 1.00 12.75 C ATOM 0 H THR A 11 12.465 27.574 23.480 1.00 9.20 H new ATOM 0 HA THR A 11 11.733 28.686 25.721 1.00 10.11 H new ATOM 0 HB THR A 11 11.106 25.976 24.885 1.00 11.64 H new ATOM 0 HG1 THR A 11 10.347 27.400 23.371 1.00 14.40 H new ATOM 0 HG21 THR A 11 9.195 26.098 26.227 1.00 12.75 H new ATOM 0 HG22 THR A 11 10.484 26.309 27.123 1.00 12.75 H new ATOM 0 HG23 THR A 11 9.604 27.554 26.695 1.00 12.75 H new ATOM 94 N LEU A 12 13.647 26.164 26.072 1.00 8.42 N ATOM 95 CA LEU A 12 14.577 25.501 27.009 1.00 9.98 C ATOM 96 C LEU A 12 15.666 26.500 27.459 1.00 10.74 C ATOM 97 O LEU A 12 15.968 26.465 28.649 1.00 10.16 O ATOM 98 CB LEU A 12 15.125 24.236 26.407 1.00 10.57 C ATOM 99 CG LEU A 12 14.163 23.069 26.160 1.00 12.06 C ATOM 100 CD1 LEU A 12 14.949 21.889 25.515 1.00 11.16 C ATOM 101 CD2 LEU A 12 13.543 22.650 27.491 1.00 12.20 C ATOM 0 H LEU A 12 13.612 25.827 25.281 1.00 8.42 H new ATOM 0 HA LEU A 12 14.103 25.227 27.810 1.00 9.98 H new ATOM 0 HB2 LEU A 12 15.534 24.466 25.558 1.00 10.57 H new ATOM 0 HB3 LEU A 12 15.834 23.916 26.986 1.00 10.57 H new ATOM 0 HG LEU A 12 13.453 23.333 25.555 1.00 12.06 H new ATOM 0 HD11 LEU A 12 14.345 21.146 25.356 1.00 11.16 H new ATOM 0 HD12 LEU A 12 15.334 22.178 24.673 1.00 11.16 H new ATOM 0 HD13 LEU A 12 15.658 21.606 26.114 1.00 11.16 H new ATOM 0 HD21 LEU A 12 12.932 21.911 27.345 1.00 12.20 H new ATOM 0 HD22 LEU A 12 14.244 22.374 28.102 1.00 12.20 H new ATOM 0 HD23 LEU A 12 13.059 23.399 27.873 1.00 12.20 H new ATOM 102 N LYS A 13 16.184 27.337 26.551 1.00 11.62 N ATOM 103 CA LYS A 13 17.188 28.316 27.037 1.00 12.65 C ATOM 104 C LYS A 13 16.633 29.191 28.136 1.00 12.71 C ATOM 105 O LYS A 13 17.216 29.527 29.190 1.00 12.80 O ATOM 106 CB LYS A 13 17.689 29.226 25.901 1.00 14.99 C ATOM 107 CG LYS A 13 18.988 29.980 26.297 1.00 16.27 C ATOM 108 CD LYS A 13 19.736 30.440 25.062 1.00 20.46 C ATOM 109 CE LYS A 13 20.933 31.341 25.323 1.00 23.31 C ATOM 110 NZ LYS A 13 21.786 30.710 26.365 1.00 22.65 N ATOM 0 H LYS A 13 15.992 27.364 25.713 1.00 11.62 H new ATOM 0 HA LYS A 13 17.926 27.791 27.384 1.00 12.65 H new ATOM 0 HB2 LYS A 13 17.854 28.692 25.108 1.00 14.99 H new ATOM 0 HB3 LYS A 13 16.999 29.868 25.673 1.00 14.99 H new ATOM 0 HG2 LYS A 13 18.768 30.745 26.851 1.00 16.27 H new ATOM 0 HG3 LYS A 13 19.556 29.399 26.828 1.00 16.27 H new ATOM 0 HD2 LYS A 13 20.039 29.657 24.576 1.00 20.46 H new ATOM 0 HD3 LYS A 13 19.116 30.911 24.483 1.00 20.46 H new ATOM 0 HE2 LYS A 13 21.440 31.471 24.507 1.00 23.31 H new ATOM 0 HE3 LYS A 13 20.637 32.217 25.616 1.00 23.31 H new ATOM 0 HZ1 LYS A 13 22.584 31.103 26.374 1.00 22.65 H new ATOM 0 HZ2 LYS A 13 21.401 30.805 27.162 1.00 22.65 H new ATOM 0 HZ3 LYS A 13 21.884 29.844 26.184 1.00 22.65 H new ATOM 111 N ARG A 14 15.423 29.714 27.914 1.00 13.42 N ATOM 112 CA ARG A 14 14.768 30.616 28.886 1.00 13.74 C ATOM 113 C ARG A 14 14.505 29.925 30.211 1.00 12.08 C ATOM 114 O ARG A 14 14.501 30.611 31.249 1.00 11.67 O ATOM 115 CB ARG A 14 13.505 31.189 28.257 1.00 16.74 C ATOM 116 CG ARG A 14 13.179 32.652 28.398 1.00 23.86 C ATOM 117 CD ARG A 14 12.418 33.007 27.111 1.00 27.12 C ATOM 118 NE ARG A 14 11.304 32.067 27.010 1.00 31.05 N ATOM 119 CZ ARG A 14 10.757 31.637 25.869 1.00 31.79 C ATOM 120 NH1 ARG A 14 11.223 32.076 24.710 1.00 33.22 N ATOM 121 NH2 ARG A 14 9.754 30.759 25.971 1.00 31.26 N ATOM 0 H ARG A 14 14.959 29.562 27.206 1.00 13.42 H new ATOM 0 HA ARG A 14 15.365 31.351 29.096 1.00 13.74 H new ATOM 0 HB2 ARG A 14 13.544 30.994 27.308 1.00 16.74 H new ATOM 0 HB3 ARG A 14 12.754 30.692 28.618 1.00 16.74 H new ATOM 0 HG2 ARG A 14 12.637 32.818 29.185 1.00 23.86 H new ATOM 0 HG3 ARG A 14 13.984 33.185 28.490 1.00 23.86 H new ATOM 0 HD2 ARG A 14 12.096 33.921 27.143 1.00 27.12 H new ATOM 0 HD3 ARG A 14 12.999 32.938 26.337 1.00 27.12 H new ATOM 0 HE ARG A 14 10.973 31.766 27.745 1.00 31.05 H new ATOM 0 HH11 ARG A 14 11.876 32.636 24.693 1.00 33.22 H new ATOM 0 HH12 ARG A 14 10.873 31.801 23.974 1.00 33.22 H new ATOM 0 HH21 ARG A 14 9.489 30.497 26.746 1.00 31.26 H new ATOM 0 HH22 ARG A 14 9.374 30.456 25.262 1.00 31.26 H new ATOM 122 N LEU A 15 14.296 28.634 30.187 1.00 11.32 N ATOM 123 CA LEU A 15 14.026 27.819 31.374 1.00 13.29 C ATOM 124 C LEU A 15 15.340 27.416 32.073 1.00 13.11 C ATOM 125 O LEU A 15 15.309 26.717 33.088 1.00 13.24 O ATOM 126 CB LEU A 15 13.094 26.641 31.046 1.00 12.86 C ATOM 127 CG LEU A 15 11.658 27.036 30.629 1.00 13.35 C ATOM 128 CD1 LEU A 15 10.888 25.790 30.164 1.00 12.54 C ATOM 129 CD2 LEU A 15 10.945 27.666 31.832 1.00 13.82 C ATOM 0 H LEU A 15 14.305 28.177 29.458 1.00 11.32 H new ATOM 0 HA LEU A 15 13.538 28.353 32.020 1.00 13.29 H new ATOM 0 HB2 LEU A 15 13.492 26.121 30.330 1.00 12.86 H new ATOM 0 HB3 LEU A 15 13.043 26.062 31.822 1.00 12.86 H new ATOM 0 HG LEU A 15 11.694 27.673 29.899 1.00 13.35 H new ATOM 0 HD11 LEU A 15 9.989 26.044 29.904 1.00 12.54 H new ATOM 0 HD12 LEU A 15 11.343 25.392 29.406 1.00 12.54 H new ATOM 0 HD13 LEU A 15 10.845 25.147 30.889 1.00 12.54 H new ATOM 0 HD21 LEU A 15 10.043 27.917 31.579 1.00 13.82 H new ATOM 0 HD22 LEU A 15 10.910 27.025 32.559 1.00 13.82 H new ATOM 0 HD23 LEU A 15 11.431 28.455 32.120 1.00 13.82 H new ATOM 130 N GLY A 16 16.449 27.934 31.487 1.00 12.50 N ATOM 131 CA GLY A 16 17.752 27.683 32.161 1.00 11.22 C ATOM 132 C GLY A 16 18.321 26.305 31.976 1.00 10.79 C ATOM 133 O GLY A 16 19.110 25.863 32.867 1.00 12.26 O ATOM 0 H GLY A 16 16.473 28.395 30.761 1.00 12.50 H new ATOM 0 HA2 GLY A 16 18.397 28.329 31.834 1.00 11.22 H new ATOM 0 HA3 GLY A 16 17.644 27.846 33.111 1.00 11.22 H new ATOM 134 N MET A 17 18.062 25.657 30.864 1.00 10.50 N ATOM 135 CA MET A 17 18.595 24.292 30.654 1.00 10.70 C ATOM 136 C MET A 17 19.999 24.270 30.016 1.00 10.33 C ATOM 137 O MET A 17 20.638 23.186 30.035 1.00 10.16 O ATOM 138 CB MET A 17 17.618 23.504 29.751 1.00 12.40 C ATOM 139 CG MET A 17 16.281 23.308 30.476 1.00 16.03 C ATOM 140 SD MET A 17 16.586 21.936 31.637 1.00 19.87 S ATOM 141 CE MET A 17 16.036 20.592 30.543 1.00 18.01 C ATOM 0 H MET A 17 17.589 25.967 30.216 1.00 10.50 H new ATOM 0 HA MET A 17 18.679 23.884 31.530 1.00 10.70 H new ATOM 0 HB2 MET A 17 17.477 23.982 28.919 1.00 12.40 H new ATOM 0 HB3 MET A 17 18.000 22.642 29.522 1.00 12.40 H new ATOM 0 HG2 MET A 17 16.012 24.114 30.945 1.00 16.03 H new ATOM 0 HG3 MET A 17 15.570 23.092 29.853 1.00 16.03 H new ATOM 0 HE1 MET A 17 16.327 19.740 30.905 1.00 18.01 H new ATOM 0 HE2 MET A 17 15.068 20.602 30.479 1.00 18.01 H new ATOM 0 HE3 MET A 17 16.419 20.715 29.661 1.00 18.01 H new ATOM 142 N ASP A 18 20.417 25.371 29.501 1.00 10.65 N ATOM 143 CA ASP A 18 21.748 25.371 28.802 1.00 12.84 C ATOM 144 C ASP A 18 22.900 25.227 29.790 1.00 11.80 C ATOM 145 O ASP A 18 23.123 26.231 30.472 1.00 13.93 O ATOM 146 CB ASP A 18 21.947 26.603 27.924 1.00 14.20 C ATOM 147 CG ASP A 18 23.089 26.363 26.928 1.00 17.08 C ATOM 148 OD1 ASP A 18 23.553 25.253 26.660 1.00 14.51 O ATOM 149 OD2 ASP A 18 23.500 27.457 26.454 1.00 19.15 O ATOM 0 H ASP A 18 20.000 26.123 29.518 1.00 10.65 H new ATOM 0 HA ASP A 18 21.747 24.597 28.218 1.00 12.84 H new ATOM 0 HB2 ASP A 18 21.128 26.803 27.445 1.00 14.20 H new ATOM 0 HB3 ASP A 18 22.148 27.374 28.477 1.00 14.20 H new ATOM 150 N GLY A 19 23.530 24.097 29.843 1.00 12.09 N ATOM 151 CA GLY A 19 24.670 23.907 30.762 1.00 12.48 C ATOM 152 C GLY A 19 24.227 23.437 32.118 1.00 13.65 C ATOM 153 O GLY A 19 25.078 23.375 33.012 1.00 14.35 O ATOM 0 H GLY A 19 23.334 23.409 29.365 1.00 12.09 H new ATOM 0 HA2 GLY A 19 25.286 23.261 30.382 1.00 12.48 H new ATOM 0 HA3 GLY A 19 25.154 24.743 30.852 1.00 12.48 H new ATOM 154 N TYR A 20 22.917 23.130 32.241 1.00 11.09 N ATOM 155 CA TYR A 20 22.434 22.634 33.566 1.00 11.02 C ATOM 156 C TYR A 20 23.138 21.323 33.911 1.00 8.50 C ATOM 157 O TYR A 20 23.096 20.293 33.243 1.00 7.69 O ATOM 158 CB TYR A 20 20.868 22.480 33.578 1.00 10.02 C ATOM 159 CG TYR A 20 20.401 22.185 34.996 1.00 9.79 C ATOM 160 CD1 TYR A 20 20.205 23.234 35.881 1.00 12.42 C ATOM 161 CD2 TYR A 20 20.247 20.879 35.436 1.00 9.72 C ATOM 162 CE1 TYR A 20 19.840 23.003 37.219 1.00 11.67 C ATOM 163 CE2 TYR A 20 19.879 20.608 36.754 1.00 9.94 C ATOM 164 CZ TYR A 20 19.697 21.683 37.633 1.00 12.41 C ATOM 165 OH TYR A 20 19.314 21.409 38.917 1.00 14.08 O ATOM 0 H TYR A 20 22.325 23.193 31.621 1.00 11.09 H new ATOM 0 HA TYR A 20 22.655 23.287 34.249 1.00 11.02 H new ATOM 0 HB2 TYR A 20 20.450 23.292 33.252 1.00 10.02 H new ATOM 0 HB3 TYR A 20 20.599 21.763 32.982 1.00 10.02 H new ATOM 0 HD1 TYR A 20 20.317 24.108 35.584 1.00 12.42 H new ATOM 0 HD2 TYR A 20 20.391 20.175 34.845 1.00 9.72 H new ATOM 0 HE1 TYR A 20 19.699 23.709 37.807 1.00 11.67 H new ATOM 0 HE2 TYR A 20 19.757 19.732 37.043 1.00 9.94 H new ATOM 0 HH TYR A 20 18.827 22.031 39.203 1.00 14.08 H new ATOM 166 N ARG A 21 23.799 21.365 35.069 1.00 9.87 N ATOM 167 CA ARG A 21 24.586 20.240 35.588 1.00 11.82 C ATOM 168 C ARG A 21 25.549 19.733 34.487 1.00 10.75 C ATOM 169 O ARG A 21 25.690 18.516 34.327 1.00 10.48 O ATOM 170 CB ARG A 21 23.722 19.092 36.101 1.00 14.58 C ATOM 171 CG ARG A 21 22.996 19.417 37.387 1.00 19.00 C ATOM 172 CD ARG A 21 23.850 19.190 38.567 1.00 25.56 C ATOM 173 NE ARG A 21 24.086 17.770 38.887 1.00 28.42 N ATOM 174 CZ ARG A 21 25.039 17.406 39.766 1.00 29.12 C ATOM 175 NH1 ARG A 21 25.135 16.121 40.071 1.00 30.47 N ATOM 176 NH2 ARG A 21 25.868 18.318 40.288 1.00 29.97 N ATOM 0 H ARG A 21 23.804 22.055 35.582 1.00 9.87 H new ATOM 0 HA ARG A 21 25.089 20.568 36.350 1.00 11.82 H new ATOM 0 HB2 ARG A 21 23.072 18.856 35.421 1.00 14.58 H new ATOM 0 HB3 ARG A 21 24.282 18.312 36.241 1.00 14.58 H new ATOM 0 HG2 ARG A 21 22.706 20.342 37.370 1.00 19.00 H new ATOM 0 HG3 ARG A 21 22.197 18.871 37.455 1.00 19.00 H new ATOM 0 HD2 ARG A 21 24.705 19.623 38.421 1.00 25.56 H new ATOM 0 HD3 ARG A 21 23.442 19.619 39.335 1.00 25.56 H new ATOM 0 HE ARG A 21 23.608 17.165 38.506 1.00 28.42 H new ATOM 0 HH11 ARG A 21 24.599 15.552 39.711 1.00 30.47 H new ATOM 0 HH12 ARG A 21 25.733 15.855 40.629 1.00 30.47 H new ATOM 0 HH21 ARG A 21 25.795 19.145 40.063 1.00 29.97 H new ATOM 0 HH22 ARG A 21 26.474 18.077 40.849 1.00 29.97 H new ATOM 177 N GLY A 22 26.149 20.660 33.766 1.00 12.77 N ATOM 178 CA GLY A 22 27.114 20.364 32.682 1.00 11.43 C ATOM 179 C GLY A 22 26.535 19.868 31.392 1.00 12.30 C ATOM 180 O GLY A 22 27.255 19.371 30.480 1.00 10.40 O ATOM 0 H GLY A 22 26.015 21.501 33.883 1.00 12.77 H new ATOM 0 HA2 GLY A 22 27.621 21.170 32.498 1.00 11.43 H new ATOM 0 HA3 GLY A 22 27.743 19.701 33.008 1.00 11.43 H new ATOM 181 N ILE A 23 25.197 19.992 31.226 1.00 10.61 N ATOM 182 CA ILE A 23 24.547 19.481 29.982 1.00 10.32 C ATOM 183 C ILE A 23 24.136 20.595 29.038 1.00 10.40 C ATOM 184 O ILE A 23 23.277 21.419 29.409 1.00 10.50 O ATOM 185 CB ILE A 23 23.271 18.609 30.325 1.00 8.38 C ATOM 186 CG1 ILE A 23 23.634 17.510 31.354 1.00 9.24 C ATOM 187 CG2 ILE A 23 22.568 18.105 29.038 1.00 7.90 C ATOM 188 CD1 ILE A 23 22.409 17.117 32.259 1.00 9.66 C ATOM 0 H ILE A 23 24.664 20.354 31.795 1.00 10.61 H new ATOM 0 HA ILE A 23 25.214 18.935 29.538 1.00 10.32 H new ATOM 0 HB ILE A 23 22.602 19.160 30.760 1.00 8.38 H new ATOM 0 HG12 ILE A 23 23.954 16.723 30.885 1.00 9.24 H new ATOM 0 HG13 ILE A 23 24.362 17.822 31.915 1.00 9.24 H new ATOM 0 HG21 ILE A 23 21.792 17.575 29.279 1.00 7.90 H new ATOM 0 HG22 ILE A 23 22.287 18.864 28.504 1.00 7.90 H new ATOM 0 HG23 ILE A 23 23.184 17.560 28.525 1.00 7.90 H new ATOM 0 HD11 ILE A 23 22.678 16.429 32.887 1.00 9.66 H new ATOM 0 HD12 ILE A 23 22.103 17.898 32.747 1.00 9.66 H new ATOM 0 HD13 ILE A 23 21.689 16.782 31.702 1.00 9.66 H new ATOM 189 N SER A 24 24.759 20.598 27.853 1.00 9.48 N ATOM 190 CA SER A 24 24.475 21.641 26.872 1.00 9.40 C ATOM 191 C SER A 24 23.023 21.552 26.319 1.00 7.66 C ATOM 192 O SER A 24 22.371 20.484 26.290 1.00 7.56 O ATOM 193 CB SER A 24 25.445 21.623 25.662 1.00 9.00 C ATOM 194 OG SER A 24 25.238 20.420 24.904 1.00 9.87 O ATOM 0 H SER A 24 25.339 20.014 27.605 1.00 9.48 H new ATOM 0 HA SER A 24 24.595 22.469 27.362 1.00 9.40 H new ATOM 0 HB2 SER A 24 25.294 22.400 25.102 1.00 9.00 H new ATOM 0 HB3 SER A 24 26.364 21.669 25.970 1.00 9.00 H new ATOM 0 HG SER A 24 25.613 20.492 24.156 1.00 9.87 H new ATOM 195 N LEU A 25 22.605 22.685 25.819 1.00 8.34 N ATOM 196 CA LEU A 25 21.206 22.783 25.235 1.00 9.89 C ATOM 197 C LEU A 25 20.971 21.764 24.150 1.00 9.54 C ATOM 198 O LEU A 25 19.910 21.095 24.126 1.00 9.78 O ATOM 199 CB LEU A 25 20.982 24.237 24.799 1.00 10.41 C ATOM 200 CG LEU A 25 19.598 24.576 24.236 1.00 13.95 C ATOM 201 CD1 LEU A 25 18.502 24.371 25.284 1.00 15.08 C ATOM 202 CD2 LEU A 25 19.654 26.035 23.775 1.00 11.86 C ATOM 0 H LEU A 25 23.067 23.410 25.789 1.00 8.34 H new ATOM 0 HA LEU A 25 20.539 22.560 25.903 1.00 9.89 H new ATOM 0 HB2 LEU A 25 21.148 24.812 25.562 1.00 10.41 H new ATOM 0 HB3 LEU A 25 21.646 24.458 24.127 1.00 10.41 H new ATOM 0 HG LEU A 25 19.378 23.988 23.497 1.00 13.95 H new ATOM 0 HD11 LEU A 25 17.640 24.593 24.899 1.00 15.08 H new ATOM 0 HD12 LEU A 25 18.498 23.445 25.572 1.00 15.08 H new ATOM 0 HD13 LEU A 25 18.672 24.945 26.047 1.00 15.08 H new ATOM 0 HD21 LEU A 25 18.793 26.292 23.410 1.00 11.86 H new ATOM 0 HD22 LEU A 25 19.868 26.605 24.530 1.00 11.86 H new ATOM 0 HD23 LEU A 25 20.337 26.133 23.093 1.00 11.86 H new ATOM 203 N ALA A 26 21.948 21.584 23.256 1.00 8.75 N ATOM 204 CA ALA A 26 21.827 20.614 22.181 1.00 8.34 C ATOM 205 C ALA A 26 21.644 19.212 22.679 1.00 7.19 C ATOM 206 O ALA A 26 20.995 18.413 21.946 1.00 7.21 O ATOM 207 CB ALA A 26 22.928 20.764 21.116 1.00 9.26 C ATOM 0 H ALA A 26 22.690 22.019 23.261 1.00 8.75 H new ATOM 0 HA ALA A 26 21.001 20.822 21.717 1.00 8.34 H new ATOM 0 HB1 ALA A 26 22.802 20.096 20.424 1.00 9.26 H new ATOM 0 HB2 ALA A 26 22.880 21.649 20.723 1.00 9.26 H new ATOM 0 HB3 ALA A 26 23.797 20.641 21.529 1.00 9.26 H new ATOM 208 N ASN A 27 22.170 18.851 23.834 1.00 8.41 N ATOM 209 CA ASN A 27 21.992 17.486 24.376 1.00 8.39 C ATOM 210 C ASN A 27 20.514 17.339 24.807 1.00 8.70 C ATOM 211 O ASN A 27 19.906 16.285 24.562 1.00 7.02 O ATOM 212 CB ASN A 27 22.965 17.208 25.550 1.00 9.41 C ATOM 213 CG ASN A 27 24.301 16.677 24.965 1.00 12.08 C ATOM 214 OD1 ASN A 27 24.415 15.580 24.404 1.00 10.09 O ATOM 215 ND2 ASN A 27 25.330 17.538 25.023 1.00 12.22 N ATOM 0 H ASN A 27 22.638 19.373 24.332 1.00 8.41 H new ATOM 0 HA ASN A 27 22.203 16.828 23.696 1.00 8.39 H new ATOM 0 HB2 ASN A 27 23.119 18.019 26.060 1.00 9.41 H new ATOM 0 HB3 ASN A 27 22.581 16.558 26.159 1.00 9.41 H new ATOM 0 HD21 ASN A 27 26.085 17.331 24.666 1.00 12.22 H new ATOM 0 HD22 ASN A 27 25.234 18.297 25.417 1.00 12.22 H new ATOM 216 N TRP A 28 19.987 18.381 25.451 1.00 9.09 N ATOM 217 CA TRP A 28 18.536 18.326 25.850 1.00 9.69 C ATOM 218 C TRP A 28 17.644 18.224 24.606 1.00 9.48 C ATOM 219 O TRP A 28 16.586 17.497 24.629 1.00 9.76 O ATOM 220 CB TRP A 28 18.211 19.591 26.652 1.00 9.06 C ATOM 221 CG TRP A 28 18.824 19.661 28.017 1.00 9.15 C ATOM 222 CD1 TRP A 28 19.764 20.553 28.466 1.00 8.05 C ATOM 223 CD2 TRP A 28 18.498 18.828 29.137 1.00 8.67 C ATOM 224 NE1 TRP A 28 19.997 20.355 29.817 1.00 6.40 N ATOM 225 CE2 TRP A 28 19.271 19.288 30.224 1.00 7.43 C ATOM 226 CE3 TRP A 28 17.661 17.720 29.281 1.00 8.29 C ATOM 227 CZ2 TRP A 28 19.188 18.698 31.469 1.00 9.92 C ATOM 228 CZ3 TRP A 28 17.590 17.139 30.520 1.00 8.98 C ATOM 229 CH2 TRP A 28 18.343 17.595 31.610 1.00 9.56 C ATOM 0 H TRP A 28 20.408 19.100 25.666 1.00 9.09 H new ATOM 0 HA TRP A 28 18.368 17.541 26.395 1.00 9.69 H new ATOM 0 HB2 TRP A 28 18.504 20.363 26.143 1.00 9.06 H new ATOM 0 HB3 TRP A 28 17.248 19.660 26.743 1.00 9.06 H new ATOM 0 HD1 TRP A 28 20.183 21.196 27.941 1.00 8.05 H new ATOM 0 HE1 TRP A 28 20.515 20.830 30.313 1.00 6.40 H new ATOM 0 HE3 TRP A 28 17.170 17.389 28.564 1.00 8.29 H new ATOM 0 HZ2 TRP A 28 19.678 19.024 32.189 1.00 9.92 H new ATOM 0 HZ3 TRP A 28 17.020 16.414 30.642 1.00 8.98 H new ATOM 0 HH2 TRP A 28 18.280 17.162 32.430 1.00 9.56 H new ATOM 230 N MET A 29 18.014 18.929 23.563 1.00 8.59 N ATOM 231 CA MET A 29 17.265 18.919 22.295 1.00 7.88 C ATOM 232 C MET A 29 17.267 17.516 21.705 1.00 9.33 C ATOM 233 O MET A 29 16.271 16.911 21.256 1.00 8.96 O ATOM 234 CB MET A 29 17.755 19.961 21.279 1.00 7.56 C ATOM 235 CG MET A 29 17.492 21.374 21.774 1.00 10.28 C ATOM 236 SD MET A 29 15.683 21.755 21.672 1.00 12.72 S ATOM 237 CE MET A 29 15.349 21.592 19.936 1.00 9.53 C ATOM 0 H MET A 29 18.709 19.435 23.555 1.00 8.59 H new ATOM 0 HA MET A 29 16.354 19.179 22.502 1.00 7.88 H new ATOM 0 HB2 MET A 29 18.705 19.842 21.122 1.00 7.56 H new ATOM 0 HB3 MET A 29 17.307 19.824 20.429 1.00 7.56 H new ATOM 0 HG2 MET A 29 17.798 21.466 22.690 1.00 10.28 H new ATOM 0 HG3 MET A 29 17.995 22.010 21.241 1.00 10.28 H new ATOM 0 HE1 MET A 29 14.484 21.982 19.735 1.00 9.53 H new ATOM 0 HE2 MET A 29 16.036 22.052 19.429 1.00 9.53 H new ATOM 0 HE3 MET A 29 15.344 20.653 19.694 1.00 9.53 H new ATOM 238 N CYS A 30 18.455 16.904 21.650 1.00 8.97 N ATOM 239 CA CYS A 30 18.606 15.546 21.118 1.00 9.41 C ATOM 240 C CYS A 30 17.750 14.576 21.930 1.00 8.42 C ATOM 241 O CYS A 30 17.105 13.696 21.351 1.00 9.25 O ATOM 242 CB CYS A 30 20.114 15.190 21.087 1.00 9.65 C ATOM 243 SG CYS A 30 20.448 13.567 20.371 1.00 11.34 S ATOM 0 H CYS A 30 19.190 17.262 21.918 1.00 8.97 H new ATOM 0 HA CYS A 30 18.283 15.482 20.206 1.00 9.41 H new ATOM 0 HB2 CYS A 30 20.589 15.865 20.578 1.00 9.65 H new ATOM 0 HB3 CYS A 30 20.465 15.217 21.991 1.00 9.65 H new ATOM 244 N LEU A 31 17.782 14.725 23.285 1.00 8.50 N ATOM 245 CA LEU A 31 16.970 13.864 24.135 1.00 8.02 C ATOM 246 C LEU A 31 15.452 14.012 23.816 1.00 9.23 C ATOM 247 O LEU A 31 14.792 12.958 23.669 1.00 8.54 O ATOM 248 CB LEU A 31 17.247 14.142 25.607 1.00 8.68 C ATOM 249 CG LEU A 31 16.383 13.343 26.617 1.00 8.23 C ATOM 250 CD1 LEU A 31 16.782 11.893 26.711 1.00 10.86 C ATOM 251 CD2 LEU A 31 16.506 14.031 27.954 1.00 9.61 C ATOM 0 H LEU A 31 18.259 15.306 23.703 1.00 8.50 H new ATOM 0 HA LEU A 31 17.219 12.946 23.947 1.00 8.02 H new ATOM 0 HB2 LEU A 31 18.181 13.952 25.785 1.00 8.68 H new ATOM 0 HB3 LEU A 31 17.114 15.089 25.771 1.00 8.68 H new ATOM 0 HG LEU A 31 15.462 13.334 26.314 1.00 8.23 H new ATOM 0 HD11 LEU A 31 16.213 11.441 27.354 1.00 10.86 H new ATOM 0 HD12 LEU A 31 16.684 11.473 25.842 1.00 10.86 H new ATOM 0 HD13 LEU A 31 17.706 11.829 26.998 1.00 10.86 H new ATOM 0 HD21 LEU A 31 15.976 13.556 28.613 1.00 9.61 H new ATOM 0 HD22 LEU A 31 17.436 14.037 28.231 1.00 9.61 H new ATOM 0 HD23 LEU A 31 16.186 14.944 27.879 1.00 9.61 H new ATOM 252 N ALA A 32 14.942 15.229 23.761 1.00 9.00 N ATOM 253 CA ALA A 32 13.486 15.451 23.487 1.00 8.58 C ATOM 254 C ALA A 32 13.095 14.874 22.146 1.00 9.28 C ATOM 255 O ALA A 32 12.055 14.219 21.959 1.00 9.27 O ATOM 256 CB ALA A 32 13.203 16.951 23.568 1.00 9.96 C ATOM 0 H ALA A 32 15.398 15.949 23.875 1.00 9.00 H new ATOM 0 HA ALA A 32 12.948 14.991 24.151 1.00 8.58 H new ATOM 0 HB1 ALA A 32 12.263 17.113 23.393 1.00 9.96 H new ATOM 0 HB2 ALA A 32 13.427 17.275 24.454 1.00 9.96 H new ATOM 0 HB3 ALA A 32 13.739 17.418 22.908 1.00 9.96 H new ATOM 257 N LYS A 33 13.994 15.101 21.176 1.00 7.59 N ATOM 258 CA LYS A 33 13.754 14.610 19.814 1.00 9.65 C ATOM 259 C LYS A 33 13.557 13.110 19.782 1.00 11.08 C ATOM 260 O LYS A 33 12.543 12.655 19.168 1.00 11.70 O ATOM 261 CB LYS A 33 14.865 14.999 18.859 1.00 12.46 C ATOM 262 CG LYS A 33 14.448 14.942 17.381 1.00 15.86 C ATOM 263 CD LYS A 33 14.702 13.539 16.869 1.00 20.63 C ATOM 264 CE LYS A 33 14.214 13.483 15.407 1.00 23.19 C ATOM 265 NZ LYS A 33 14.460 12.061 14.993 1.00 27.36 N ATOM 0 H LYS A 33 14.733 15.528 21.284 1.00 7.59 H new ATOM 0 HA LYS A 33 12.935 15.038 19.518 1.00 9.65 H new ATOM 0 HB2 LYS A 33 15.163 15.898 19.069 1.00 12.46 H new ATOM 0 HB3 LYS A 33 15.622 14.409 18.997 1.00 12.46 H new ATOM 0 HG2 LYS A 33 13.511 15.172 17.285 1.00 15.86 H new ATOM 0 HG3 LYS A 33 14.953 15.588 16.862 1.00 15.86 H new ATOM 0 HD2 LYS A 33 15.646 13.322 16.922 1.00 20.63 H new ATOM 0 HD3 LYS A 33 14.230 12.887 17.411 1.00 20.63 H new ATOM 0 HE2 LYS A 33 13.275 13.715 15.337 1.00 23.19 H new ATOM 0 HE3 LYS A 33 14.703 14.105 14.846 1.00 23.19 H new ATOM 0 HZ1 LYS A 33 14.424 11.999 14.106 1.00 27.36 H new ATOM 0 HZ2 LYS A 33 15.264 11.804 15.276 1.00 27.36 H new ATOM 0 HZ3 LYS A 33 13.838 11.535 15.352 1.00 27.36 H new ATOM 266 N TRP A 34 14.453 12.333 20.351 1.00 10.48 N ATOM 267 CA TRP A 34 14.349 10.872 20.310 1.00 11.87 C ATOM 268 C TRP A 34 13.369 10.299 21.307 1.00 11.00 C ATOM 269 O TRP A 34 12.854 9.189 21.085 1.00 12.33 O ATOM 270 CB TRP A 34 15.768 10.255 20.473 1.00 13.88 C ATOM 271 CG TRP A 34 16.599 10.582 19.264 1.00 14.92 C ATOM 272 CD1 TRP A 34 17.646 11.474 19.214 1.00 16.53 C ATOM 273 CD2 TRP A 34 16.436 10.053 17.955 1.00 16.32 C ATOM 274 NE1 TRP A 34 18.141 11.526 17.916 1.00 16.16 N ATOM 275 CE2 TRP A 34 17.421 10.663 17.145 1.00 17.68 C ATOM 276 CE3 TRP A 34 15.567 9.102 17.397 1.00 17.41 C ATOM 277 CZ2 TRP A 34 17.542 10.381 15.785 1.00 19.04 C ATOM 278 CZ3 TRP A 34 15.707 8.814 16.057 1.00 17.86 C ATOM 279 CH2 TRP A 34 16.676 9.430 15.250 1.00 19.76 C ATOM 0 H TRP A 34 15.142 12.627 20.774 1.00 10.48 H new ATOM 0 HA TRP A 34 13.984 10.630 19.444 1.00 11.87 H new ATOM 0 HB2 TRP A 34 16.192 10.603 21.273 1.00 13.88 H new ATOM 0 HB3 TRP A 34 15.703 9.293 20.582 1.00 13.88 H new ATOM 0 HD1 TRP A 34 17.971 11.964 19.934 1.00 16.53 H new ATOM 0 HE1 TRP A 34 18.791 12.019 17.645 1.00 16.16 H new ATOM 0 HE3 TRP A 34 14.919 8.681 17.914 1.00 17.41 H new ATOM 0 HZ2 TRP A 34 18.175 10.810 15.256 1.00 19.04 H new ATOM 0 HZ3 TRP A 34 15.138 8.187 15.672 1.00 17.86 H new ATOM 0 HH2 TRP A 34 16.740 9.201 14.351 1.00 19.76 H new ATOM 280 N GLU A 35 13.104 11.020 22.380 1.00 10.65 N ATOM 281 CA GLU A 35 12.167 10.441 23.335 1.00 11.08 C ATOM 282 C GLU A 35 10.708 10.647 22.878 1.00 11.17 C ATOM 283 O GLU A 35 9.932 9.701 23.029 1.00 10.28 O ATOM 284 CB GLU A 35 12.307 11.070 24.709 1.00 13.52 C ATOM 285 CG GLU A 35 13.508 10.618 25.558 1.00 13.74 C ATOM 286 CD GLU A 35 13.552 9.149 25.852 1.00 18.47 C ATOM 287 OE1 GLU A 35 12.603 8.412 25.666 1.00 15.37 O ATOM 288 OE2 GLU A 35 14.688 8.798 26.321 1.00 20.23 O ATOM 0 H GLU A 35 13.427 11.794 22.572 1.00 10.65 H new ATOM 0 HA GLU A 35 12.378 9.495 23.381 1.00 11.08 H new ATOM 0 HB2 GLU A 35 12.360 12.032 24.597 1.00 13.52 H new ATOM 0 HB3 GLU A 35 11.497 10.887 25.210 1.00 13.52 H new ATOM 0 HG2 GLU A 35 14.325 10.868 25.099 1.00 13.74 H new ATOM 0 HG3 GLU A 35 13.495 11.103 26.398 1.00 13.74 H new ATOM 289 N SER A 36 10.406 11.841 22.406 1.00 11.48 N ATOM 290 CA SER A 36 8.988 12.117 22.056 1.00 11.65 C ATOM 291 C SER A 36 8.753 12.810 20.761 1.00 12.54 C ATOM 292 O SER A 36 7.561 13.056 20.438 1.00 14.64 O ATOM 293 CB SER A 36 8.466 13.023 23.174 1.00 10.49 C ATOM 294 OG SER A 36 9.064 14.316 23.178 1.00 10.45 O ATOM 0 H SER A 36 10.960 12.487 22.279 1.00 11.48 H new ATOM 0 HA SER A 36 8.541 11.261 21.963 1.00 11.65 H new ATOM 0 HB2 SER A 36 7.505 13.118 23.082 1.00 10.49 H new ATOM 0 HB3 SER A 36 8.628 12.596 24.030 1.00 10.49 H new ATOM 0 HG SER A 36 9.684 14.337 23.745 1.00 10.45 H new ATOM 295 N GLY A 37 9.741 13.211 20.017 1.00 11.46 N ATOM 296 CA GLY A 37 9.484 13.933 18.775 1.00 10.76 C ATOM 297 C GLY A 37 8.961 15.306 19.179 1.00 10.10 C ATOM 298 O GLY A 37 8.208 15.915 18.410 1.00 10.90 O ATOM 0 H GLY A 37 10.572 13.084 20.198 1.00 11.46 H new ATOM 0 HA2 GLY A 37 10.294 14.013 18.247 1.00 10.76 H new ATOM 0 HA3 GLY A 37 8.835 13.462 18.229 1.00 10.76 H new ATOM 299 N TYR A 38 9.414 15.879 20.262 1.00 9.57 N ATOM 300 CA TYR A 38 9.030 17.191 20.765 1.00 10.29 C ATOM 301 C TYR A 38 7.518 17.276 21.122 1.00 11.14 C ATOM 302 O TYR A 38 6.959 18.400 21.093 1.00 10.48 O ATOM 303 CB TYR A 38 9.380 18.318 19.780 1.00 11.84 C ATOM 304 CG TYR A 38 10.811 18.308 19.222 1.00 12.16 C ATOM 305 CD1 TYR A 38 11.018 18.544 17.869 1.00 12.31 C ATOM 306 CD2 TYR A 38 11.911 18.096 20.061 1.00 12.81 C ATOM 307 CE1 TYR A 38 12.322 18.577 17.322 1.00 13.31 C ATOM 308 CE2 TYR A 38 13.222 18.091 19.548 1.00 11.86 C ATOM 309 CZ TYR A 38 13.398 18.341 18.200 1.00 14.02 C ATOM 310 OH TYR A 38 14.687 18.350 17.690 1.00 14.19 O ATOM 0 H TYR A 38 9.995 15.494 20.766 1.00 9.57 H new ATOM 0 HA TYR A 38 9.546 17.312 21.577 1.00 10.29 H new ATOM 0 HB2 TYR A 38 8.761 18.275 19.034 1.00 11.84 H new ATOM 0 HB3 TYR A 38 9.231 19.168 20.223 1.00 11.84 H new ATOM 0 HD1 TYR A 38 10.286 18.683 17.313 1.00 12.31 H new ATOM 0 HD2 TYR A 38 11.774 17.956 20.970 1.00 12.81 H new ATOM 0 HE1 TYR A 38 12.463 18.748 16.419 1.00 13.31 H new ATOM 0 HE2 TYR A 38 13.950 17.924 20.101 1.00 11.86 H new ATOM 0 HH TYR A 38 15.234 18.199 18.309 1.00 14.19 H new ATOM 311 N ASN A 39 6.957 16.136 21.494 1.00 10.13 N ATOM 312 CA ASN A 39 5.523 16.013 21.803 1.00 10.46 C ATOM 313 C ASN A 39 5.256 15.957 23.313 1.00 9.24 C ATOM 314 O ASN A 39 5.611 14.925 23.946 1.00 11.00 O ATOM 315 CB ASN A 39 4.979 14.750 21.052 1.00 11.20 C ATOM 316 CG ASN A 39 3.429 14.682 21.173 1.00 11.59 C ATOM 317 OD1 ASN A 39 2.769 15.561 21.743 1.00 12.07 O ATOM 318 ND2 ASN A 39 2.890 13.634 20.588 1.00 12.41 N ATOM 0 H ASN A 39 7.394 15.400 21.578 1.00 10.13 H new ATOM 0 HA ASN A 39 5.051 16.803 21.496 1.00 10.46 H new ATOM 0 HB2 ASN A 39 5.236 14.785 20.117 1.00 11.20 H new ATOM 0 HB3 ASN A 39 5.375 13.947 21.426 1.00 11.20 H new ATOM 0 HD21 ASN A 39 2.036 13.533 20.589 1.00 12.41 H new ATOM 0 HD22 ASN A 39 3.392 13.050 20.205 1.00 12.41 H new ATOM 319 N THR A 40 4.595 16.968 23.845 1.00 6.69 N ATOM 320 CA THR A 40 4.322 16.996 25.271 1.00 8.41 C ATOM 321 C THR A 40 3.236 15.998 25.686 1.00 10.23 C ATOM 322 O THR A 40 3.187 15.715 26.895 1.00 11.16 O ATOM 323 CB THR A 40 3.934 18.449 25.762 1.00 10.71 C ATOM 324 OG1 THR A 40 2.631 18.714 25.099 1.00 11.07 O ATOM 325 CG2 THR A 40 4.928 19.576 25.389 1.00 9.11 C ATOM 0 H THR A 40 4.297 17.644 23.404 1.00 6.69 H new ATOM 0 HA THR A 40 5.148 16.729 25.703 1.00 8.41 H new ATOM 0 HB THR A 40 3.924 18.461 26.732 1.00 10.71 H new ATOM 0 HG1 THR A 40 2.017 18.705 25.673 1.00 11.07 H new ATOM 0 HG21 THR A 40 4.602 20.422 25.733 1.00 9.11 H new ATOM 0 HG22 THR A 40 5.796 19.383 25.776 1.00 9.11 H new ATOM 0 HG23 THR A 40 5.009 19.630 24.424 1.00 9.11 H new ATOM 326 N ARG A 41 2.432 15.505 24.757 1.00 12.19 N ATOM 327 CA ARG A 41 1.371 14.551 25.223 1.00 16.22 C ATOM 328 C ARG A 41 1.807 13.106 25.079 1.00 16.29 C ATOM 329 O ARG A 41 0.987 12.223 25.431 1.00 16.12 O ATOM 330 CB ARG A 41 -0.003 14.771 24.528 1.00 21.46 C ATOM 331 CG ARG A 41 -0.028 14.381 23.070 1.00 26.75 C ATOM 332 CD ARG A 41 -1.409 14.366 22.468 1.00 33.63 C ATOM 333 NE ARG A 41 -2.294 13.504 23.266 1.00 39.56 N ATOM 334 CZ ARG A 41 -3.614 13.569 23.366 1.00 41.62 C ATOM 335 NH1 ARG A 41 -4.337 14.451 22.650 1.00 43.96 N ATOM 336 NH2 ARG A 41 -4.249 12.828 24.272 1.00 42.41 N ATOM 0 H ARG A 41 2.457 15.676 23.915 1.00 12.19 H new ATOM 0 HA ARG A 41 1.248 14.746 26.165 1.00 16.22 H new ATOM 0 HB2 ARG A 41 -0.679 14.260 25.001 1.00 21.46 H new ATOM 0 HB3 ARG A 41 -0.248 15.706 24.607 1.00 21.46 H new ATOM 0 HG2 ARG A 41 0.527 14.999 22.569 1.00 26.75 H new ATOM 0 HG3 ARG A 41 0.368 13.501 22.973 1.00 26.75 H new ATOM 0 HD2 ARG A 41 -1.766 15.267 22.435 1.00 33.63 H new ATOM 0 HD3 ARG A 41 -1.369 14.044 21.554 1.00 33.63 H new ATOM 0 HE ARG A 41 -1.909 12.884 23.722 1.00 39.56 H new ATOM 0 HH11 ARG A 41 -3.943 14.992 22.110 1.00 43.96 H new ATOM 0 HH12 ARG A 41 -5.193 14.473 22.733 1.00 43.96 H new ATOM 0 HH21 ARG A 41 -3.803 12.308 24.792 1.00 42.41 H new ATOM 0 HH22 ARG A 41 -5.105 12.870 24.338 1.00 42.41 H new ATOM 337 N ALA A 42 3.021 12.872 24.585 1.00 15.21 N ATOM 338 CA ALA A 42 3.462 11.464 24.416 1.00 16.03 C ATOM 339 C ALA A 42 3.494 10.688 25.746 1.00 16.14 C ATOM 340 O ALA A 42 3.889 11.153 26.824 1.00 14.30 O ATOM 341 CB ALA A 42 4.823 11.422 23.735 1.00 15.14 C ATOM 0 H ALA A 42 3.588 13.473 24.349 1.00 15.21 H new ATOM 0 HA ALA A 42 2.807 11.022 23.854 1.00 16.03 H new ATOM 0 HB1 ALA A 42 5.103 10.500 23.629 1.00 15.14 H new ATOM 0 HB2 ALA A 42 4.762 11.844 22.864 1.00 15.14 H new ATOM 0 HB3 ALA A 42 5.472 11.896 24.278 1.00 15.14 H new ATOM 342 N THR A 43 3.073 9.423 25.589 1.00 17.39 N ATOM 343 CA THR A 43 3.059 8.492 26.728 1.00 17.26 C ATOM 344 C THR A 43 3.434 7.125 26.155 1.00 18.71 C ATOM 345 O THR A 43 3.128 6.820 24.977 1.00 19.61 O ATOM 346 CB THR A 43 1.752 8.394 27.570 1.00 19.54 C ATOM 347 OG1 THR A 43 0.720 7.907 26.640 1.00 21.68 O ATOM 348 CG2 THR A 43 1.292 9.679 28.245 1.00 18.86 C ATOM 0 H THR A 43 2.797 9.090 24.846 1.00 17.39 H new ATOM 0 HA THR A 43 3.686 8.840 27.381 1.00 17.26 H new ATOM 0 HB THR A 43 1.921 7.802 28.319 1.00 19.54 H new ATOM 0 HG1 THR A 43 -0.012 7.834 27.046 1.00 21.68 H new ATOM 0 HG21 THR A 43 0.475 9.510 28.740 1.00 18.86 H new ATOM 0 HG22 THR A 43 1.980 9.989 28.854 1.00 18.86 H new ATOM 0 HG23 THR A 43 1.127 10.357 27.572 1.00 18.86 H new ATOM 349 N ASN A 44 4.103 6.359 26.978 1.00 17.82 N ATOM 350 CA ASN A 44 4.545 5.022 26.550 1.00 18.07 C ATOM 351 C ASN A 44 4.375 4.088 27.742 1.00 17.07 C ATOM 352 O ASN A 44 5.066 4.301 28.744 1.00 16.13 O ATOM 353 CB ASN A 44 5.983 5.066 26.024 1.00 21.44 C ATOM 354 CG ASN A 44 6.500 3.670 25.703 1.00 24.23 C ATOM 355 OD1 ASN A 44 6.115 3.039 24.721 1.00 25.30 O ATOM 356 ND2 ASN A 44 7.382 3.177 26.568 1.00 26.80 N ATOM 0 H ASN A 44 4.318 6.574 27.782 1.00 17.82 H new ATOM 0 HA ASN A 44 4.011 4.693 25.810 1.00 18.07 H new ATOM 0 HB2 ASN A 44 6.021 5.618 25.227 1.00 21.44 H new ATOM 0 HB3 ASN A 44 6.558 5.482 26.685 1.00 21.44 H new ATOM 0 HD21 ASN A 44 7.705 2.389 26.451 1.00 26.80 H new ATOM 0 HD22 ASN A 44 7.629 3.647 27.245 1.00 26.80 H new ATOM 357 N TYR A 45 3.486 3.099 27.600 1.00 16.16 N ATOM 358 CA TYR A 45 3.311 2.152 28.710 1.00 15.23 C ATOM 359 C TYR A 45 4.355 1.030 28.547 1.00 15.33 C ATOM 360 O TYR A 45 4.590 0.495 27.465 1.00 15.78 O ATOM 361 CB TYR A 45 1.877 1.606 28.733 1.00 16.35 C ATOM 362 CG TYR A 45 1.584 0.527 29.734 1.00 15.76 C ATOM 363 CD1 TYR A 45 1.324 -0.814 29.382 1.00 16.68 C ATOM 364 CD2 TYR A 45 1.641 0.876 31.080 1.00 15.54 C ATOM 365 CE1 TYR A 45 1.060 -1.769 30.374 1.00 17.25 C ATOM 366 CE2 TYR A 45 1.400 -0.052 32.073 1.00 17.11 C ATOM 367 CZ TYR A 45 1.090 -1.364 31.707 1.00 16.65 C ATOM 368 OH TYR A 45 0.881 -2.192 32.787 1.00 19.98 O ATOM 0 H TYR A 45 2.996 2.961 26.907 1.00 16.16 H new ATOM 0 HA TYR A 45 3.450 2.594 29.562 1.00 15.23 H new ATOM 0 HB2 TYR A 45 1.273 2.347 28.900 1.00 16.35 H new ATOM 0 HB3 TYR A 45 1.669 1.264 27.849 1.00 16.35 H new ATOM 0 HD1 TYR A 45 1.328 -1.066 28.487 1.00 16.68 H new ATOM 0 HD2 TYR A 45 1.846 1.752 31.315 1.00 15.54 H new ATOM 0 HE1 TYR A 45 0.870 -2.651 30.148 1.00 17.25 H new ATOM 0 HE2 TYR A 45 1.443 0.192 32.969 1.00 17.11 H new ATOM 0 HH TYR A 45 0.944 -1.748 33.497 1.00 19.98 H new ATOM 369 N ASN A 46 4.998 0.669 29.627 1.00 15.04 N ATOM 370 CA ASN A 46 6.012 -0.395 29.720 1.00 17.01 C ATOM 371 C ASN A 46 5.281 -1.623 30.302 1.00 17.83 C ATOM 372 O ASN A 46 5.137 -1.713 31.544 1.00 17.16 O ATOM 373 CB ASN A 46 7.168 0.107 30.605 1.00 16.97 C ATOM 374 CG ASN A 46 7.815 1.358 30.013 1.00 19.77 C ATOM 375 OD1 ASN A 46 8.406 1.289 28.899 1.00 20.61 O ATOM 376 ND2 ASN A 46 7.646 2.475 30.714 1.00 18.12 N ATOM 0 H ASN A 46 4.858 1.052 30.384 1.00 15.04 H new ATOM 0 HA ASN A 46 6.407 -0.637 28.868 1.00 17.01 H new ATOM 0 HB2 ASN A 46 6.836 0.302 31.495 1.00 16.97 H new ATOM 0 HB3 ASN A 46 7.834 -0.592 30.698 1.00 16.97 H new ATOM 0 HD21 ASN A 46 7.950 3.221 30.414 1.00 18.12 H new ATOM 0 HD22 ASN A 46 7.233 2.451 31.468 1.00 18.12 H new ATOM 377 N ALA A 47 4.791 -2.496 29.421 1.00 18.34 N ATOM 378 CA ALA A 47 4.035 -3.657 29.968 1.00 20.34 C ATOM 379 C ALA A 47 4.840 -4.537 30.918 1.00 20.85 C ATOM 380 O ALA A 47 4.272 -5.122 31.878 1.00 21.87 O ATOM 381 CB ALA A 47 3.400 -4.500 28.868 1.00 20.93 C ATOM 0 H ALA A 47 4.869 -2.455 28.565 1.00 18.34 H new ATOM 0 HA ALA A 47 3.329 -3.257 30.499 1.00 20.34 H new ATOM 0 HB1 ALA A 47 2.919 -5.243 29.266 1.00 20.93 H new ATOM 0 HB2 ALA A 47 2.784 -3.953 28.356 1.00 20.93 H new ATOM 0 HB3 ALA A 47 4.093 -4.841 28.281 1.00 20.93 H new ATOM 382 N GLY A 48 6.123 -4.632 30.655 1.00 20.82 N ATOM 383 CA GLY A 48 7.067 -5.429 31.415 1.00 21.50 C ATOM 384 C GLY A 48 7.206 -5.068 32.883 1.00 19.85 C ATOM 385 O GLY A 48 7.450 -5.994 33.702 1.00 19.66 O ATOM 0 H GLY A 48 6.490 -4.215 29.998 1.00 20.82 H new ATOM 0 HA2 GLY A 48 6.802 -6.360 31.352 1.00 21.50 H new ATOM 0 HA3 GLY A 48 7.939 -5.353 30.997 1.00 21.50 H new ATOM 386 N ASP A 49 7.078 -3.797 33.244 1.00 18.84 N ATOM 387 CA ASP A 49 7.230 -3.461 34.675 1.00 17.59 C ATOM 388 C ASP A 49 6.070 -2.616 35.210 1.00 17.49 C ATOM 389 O ASP A 49 6.154 -2.187 36.362 1.00 15.79 O ATOM 390 CB ASP A 49 8.577 -2.795 34.909 1.00 18.66 C ATOM 391 CG ASP A 49 8.631 -1.368 34.406 1.00 20.88 C ATOM 392 OD1 ASP A 49 7.817 -0.848 33.657 1.00 19.71 O ATOM 393 OD2 ASP A 49 9.616 -0.677 34.758 1.00 24.99 O ATOM 0 H ASP A 49 6.912 -3.139 32.716 1.00 18.84 H new ATOM 0 HA ASP A 49 7.202 -4.289 35.180 1.00 17.59 H new ATOM 0 HB2 ASP A 49 8.776 -2.805 35.858 1.00 18.66 H new ATOM 0 HB3 ASP A 49 9.269 -3.313 34.469 1.00 18.66 H new ATOM 394 N ARG A 50 5.074 -2.392 34.349 1.00 17.52 N ATOM 395 CA ARG A 50 3.891 -1.628 34.663 1.00 18.35 C ATOM 396 C ARG A 50 4.073 -0.149 34.890 1.00 17.30 C ATOM 397 O ARG A 50 3.150 0.549 35.422 1.00 19.67 O ATOM 398 CB ARG A 50 3.154 -2.311 35.847 1.00 22.59 C ATOM 399 CG ARG A 50 2.648 -3.705 35.354 1.00 24.51 C ATOM 400 CD ARG A 50 2.097 -4.405 36.545 1.00 27.74 C ATOM 401 NE ARG A 50 1.371 -5.602 36.265 1.00 30.97 N ATOM 402 CZ ARG A 50 0.373 -6.017 35.515 1.00 31.62 C ATOM 403 NH1 ARG A 50 -0.324 -5.301 34.634 1.00 32.68 N ATOM 404 NH2 ARG A 50 0.021 -7.301 35.698 1.00 31.58 N ATOM 0 H ARG A 50 5.079 -2.695 33.544 1.00 17.52 H new ATOM 0 HA ARG A 50 3.351 -1.642 33.857 1.00 18.35 H new ATOM 0 HB2 ARG A 50 3.751 -2.414 36.605 1.00 22.59 H new ATOM 0 HB3 ARG A 50 2.410 -1.765 36.145 1.00 22.59 H new ATOM 0 HG2 ARG A 50 1.968 -3.602 34.670 1.00 24.51 H new ATOM 0 HG3 ARG A 50 3.373 -4.215 34.960 1.00 24.51 H new ATOM 0 HD2 ARG A 50 2.830 -4.621 37.143 1.00 27.74 H new ATOM 0 HD3 ARG A 50 1.513 -3.793 37.020 1.00 27.74 H new ATOM 0 HE ARG A 50 1.683 -6.254 36.731 1.00 30.97 H new ATOM 0 HH11 ARG A 50 -0.135 -4.471 34.509 1.00 32.68 H new ATOM 0 HH12 ARG A 50 -0.963 -5.668 34.190 1.00 32.68 H new ATOM 0 HH21 ARG A 50 0.441 -7.784 36.272 1.00 31.58 H new ATOM 0 HH22 ARG A 50 -0.624 -7.639 35.241 1.00 31.58 H new ATOM 405 N SER A 51 5.185 0.413 34.417 1.00 13.67 N ATOM 406 CA SER A 51 5.415 1.865 34.537 1.00 11.83 C ATOM 407 C SER A 51 5.024 2.510 33.187 1.00 10.89 C ATOM 408 O SER A 51 4.892 1.825 32.169 1.00 11.99 O ATOM 409 CB SER A 51 6.868 2.154 34.887 1.00 12.30 C ATOM 410 OG SER A 51 7.767 1.698 33.844 1.00 13.78 O ATOM 0 H SER A 51 5.817 -0.019 34.026 1.00 13.67 H new ATOM 0 HA SER A 51 4.876 2.238 35.252 1.00 11.83 H new ATOM 0 HB2 SER A 51 6.986 3.107 35.023 1.00 12.30 H new ATOM 0 HB3 SER A 51 7.093 1.718 35.724 1.00 12.30 H new ATOM 0 HG SER A 51 7.629 0.884 33.691 1.00 13.78 H new ATOM 411 N THR A 52 4.935 3.824 33.167 1.00 9.50 N ATOM 412 CA THR A 52 4.651 4.667 32.026 1.00 9.79 C ATOM 413 C THR A 52 5.638 5.857 32.032 1.00 8.79 C ATOM 414 O THR A 52 5.962 6.429 33.076 1.00 8.78 O ATOM 415 CB THR A 52 3.168 5.281 32.040 1.00 11.18 C ATOM 416 OG1 THR A 52 2.329 4.087 32.172 1.00 13.42 O ATOM 417 CG2 THR A 52 2.819 6.104 30.797 1.00 10.66 C ATOM 0 H THR A 52 5.049 4.286 33.883 1.00 9.50 H new ATOM 0 HA THR A 52 4.739 4.107 31.239 1.00 9.79 H new ATOM 0 HB THR A 52 3.047 5.926 32.754 1.00 11.18 H new ATOM 0 HG1 THR A 52 2.663 3.459 31.726 1.00 13.42 H new ATOM 0 HG21 THR A 52 1.913 6.441 30.876 1.00 10.66 H new ATOM 0 HG22 THR A 52 3.435 6.849 30.719 1.00 10.66 H new ATOM 0 HG23 THR A 52 2.888 5.544 30.008 1.00 10.66 H new ATOM 418 N ASP A 53 6.042 6.167 30.841 1.00 8.94 N ATOM 419 CA ASP A 53 6.938 7.292 30.502 1.00 8.32 C ATOM 420 C ASP A 53 5.987 8.416 30.041 1.00 8.34 C ATOM 421 O ASP A 53 5.133 8.212 29.148 1.00 10.38 O ATOM 422 CB ASP A 53 7.831 6.882 29.335 1.00 10.66 C ATOM 423 CG ASP A 53 8.721 5.701 29.730 1.00 11.57 C ATOM 424 OD1 ASP A 53 9.172 5.652 30.868 1.00 12.83 O ATOM 425 OD2 ASP A 53 8.903 4.939 28.778 1.00 15.51 O ATOM 0 H ASP A 53 5.802 5.717 30.148 1.00 8.94 H new ATOM 0 HA ASP A 53 7.504 7.560 31.243 1.00 8.32 H new ATOM 0 HB2 ASP A 53 7.284 6.640 28.571 1.00 10.66 H new ATOM 0 HB3 ASP A 53 8.382 7.633 29.063 1.00 10.66 H new ATOM 426 N TYR A 54 6.176 9.580 30.633 1.00 8.29 N ATOM 427 CA TYR A 54 5.331 10.716 30.304 1.00 6.97 C ATOM 428 C TYR A 54 5.984 11.954 29.727 1.00 8.50 C ATOM 429 O TYR A 54 6.989 12.403 30.305 1.00 9.44 O ATOM 430 CB TYR A 54 4.780 11.213 31.681 1.00 7.62 C ATOM 431 CG TYR A 54 3.801 10.211 32.287 1.00 10.91 C ATOM 432 CD1 TYR A 54 2.431 10.305 31.911 1.00 11.89 C ATOM 433 CD2 TYR A 54 4.181 9.206 33.169 1.00 11.37 C ATOM 434 CE1 TYR A 54 1.485 9.425 32.430 1.00 12.16 C ATOM 435 CE2 TYR A 54 3.244 8.306 33.698 1.00 11.83 C ATOM 436 CZ TYR A 54 1.896 8.426 33.312 1.00 14.26 C ATOM 437 OH TYR A 54 0.998 7.512 33.847 1.00 14.05 O ATOM 0 H TYR A 54 6.782 9.736 31.223 1.00 8.29 H new ATOM 0 HA TYR A 54 4.717 10.387 29.629 1.00 6.97 H new ATOM 0 HB2 TYR A 54 5.518 11.356 32.293 1.00 7.62 H new ATOM 0 HB3 TYR A 54 4.338 12.069 31.564 1.00 7.62 H new ATOM 0 HD1 TYR A 54 2.164 10.963 31.311 1.00 11.89 H new ATOM 0 HD2 TYR A 54 5.075 9.129 33.413 1.00 11.37 H new ATOM 0 HE1 TYR A 54 0.590 9.503 32.191 1.00 12.16 H new ATOM 0 HE2 TYR A 54 3.509 7.642 34.293 1.00 11.83 H new ATOM 0 HH TYR A 54 1.393 7.026 34.406 1.00 14.05 H new ATOM 438 N GLY A 55 5.318 12.538 28.709 1.00 8.65 N ATOM 439 CA GLY A 55 5.756 13.838 28.205 1.00 7.35 C ATOM 440 C GLY A 55 6.898 13.981 27.265 1.00 8.27 C ATOM 441 O GLY A 55 7.383 12.947 26.710 1.00 9.37 O ATOM 0 H GLY A 55 4.632 12.203 28.313 1.00 8.65 H new ATOM 0 HA2 GLY A 55 4.987 14.243 27.773 1.00 7.35 H new ATOM 0 HA3 GLY A 55 5.964 14.382 28.981 1.00 7.35 H new ATOM 442 N ILE A 56 7.304 15.264 27.163 1.00 7.34 N ATOM 443 CA ILE A 56 8.382 15.512 26.163 1.00 8.75 C ATOM 444 C ILE A 56 9.711 14.785 26.434 1.00 8.71 C ATOM 445 O ILE A 56 10.413 14.452 25.428 1.00 9.37 O ATOM 446 CB ILE A 56 8.492 17.062 26.045 1.00 9.35 C ATOM 447 CG1 ILE A 56 9.182 17.444 24.714 1.00 11.06 C ATOM 448 CG2 ILE A 56 9.146 17.673 27.316 1.00 10.79 C ATOM 449 CD1 ILE A 56 8.938 18.943 24.386 1.00 11.07 C ATOM 0 H ILE A 56 7.011 15.940 27.607 1.00 7.34 H new ATOM 0 HA ILE A 56 8.148 15.117 25.308 1.00 8.75 H new ATOM 0 HB ILE A 56 7.607 17.456 26.008 1.00 9.35 H new ATOM 0 HG12 ILE A 56 10.135 17.272 24.776 1.00 11.06 H new ATOM 0 HG13 ILE A 56 8.840 16.890 23.995 1.00 11.06 H new ATOM 0 HG21 ILE A 56 9.204 18.636 27.219 1.00 10.79 H new ATOM 0 HG22 ILE A 56 8.606 17.458 28.093 1.00 10.79 H new ATOM 0 HG23 ILE A 56 10.037 17.306 27.430 1.00 10.79 H new ATOM 0 HD11 ILE A 56 9.376 19.167 23.550 1.00 11.07 H new ATOM 0 HD12 ILE A 56 7.985 19.106 24.305 1.00 11.07 H new ATOM 0 HD13 ILE A 56 9.300 19.493 25.098 1.00 11.07 H new ATOM 450 N PHE A 57 9.997 14.607 27.694 1.00 6.77 N ATOM 451 CA PHE A 57 11.281 13.943 28.084 1.00 9.62 C ATOM 452 C PHE A 57 11.076 12.497 28.448 1.00 9.89 C ATOM 453 O PHE A 57 12.021 11.829 28.941 1.00 10.01 O ATOM 454 CB PHE A 57 11.966 14.686 29.220 1.00 9.55 C ATOM 455 CG PHE A 57 12.380 16.095 28.890 1.00 12.10 C ATOM 456 CD1 PHE A 57 11.874 17.143 29.660 1.00 12.23 C ATOM 457 CD2 PHE A 57 13.270 16.344 27.827 1.00 11.81 C ATOM 458 CE1 PHE A 57 12.241 18.462 29.417 1.00 13.73 C ATOM 459 CE2 PHE A 57 13.635 17.677 27.574 1.00 13.61 C ATOM 460 CZ PHE A 57 13.136 18.722 28.375 1.00 12.22 C ATOM 0 H PHE A 57 9.495 14.846 28.350 1.00 6.77 H new ATOM 0 HA PHE A 57 11.861 13.973 27.307 1.00 9.62 H new ATOM 0 HB2 PHE A 57 11.368 14.708 29.983 1.00 9.55 H new ATOM 0 HB3 PHE A 57 12.752 14.186 29.490 1.00 9.55 H new ATOM 0 HD1 PHE A 57 11.279 16.955 30.350 1.00 12.23 H new ATOM 0 HD2 PHE A 57 13.605 15.648 27.309 1.00 11.81 H new ATOM 0 HE1 PHE A 57 11.899 19.155 29.935 1.00 13.73 H new ATOM 0 HE2 PHE A 57 14.212 17.871 26.871 1.00 13.61 H new ATOM 0 HZ PHE A 57 13.405 19.596 28.209 1.00 12.22 H new ATOM 461 N GLN A 58 9.851 11.989 28.236 1.00 9.11 N ATOM 462 CA GLN A 58 9.537 10.594 28.591 1.00 10.04 C ATOM 463 C GLN A 58 10.037 10.236 29.999 1.00 10.56 C ATOM 464 O GLN A 58 10.784 9.272 30.222 1.00 11.46 O ATOM 465 CB GLN A 58 9.971 9.609 27.521 1.00 8.40 C ATOM 466 CG GLN A 58 9.180 9.768 26.200 1.00 10.04 C ATOM 467 CD GLN A 58 7.766 9.196 26.336 1.00 12.18 C ATOM 468 OE1 GLN A 58 7.554 7.990 26.152 1.00 11.60 O ATOM 469 NE2 GLN A 58 6.807 10.055 26.701 1.00 11.29 N ATOM 0 H GLN A 58 9.197 12.429 27.893 1.00 9.11 H new ATOM 0 HA GLN A 58 8.571 10.518 28.626 1.00 10.04 H new ATOM 0 HB2 GLN A 58 10.917 9.728 27.343 1.00 8.40 H new ATOM 0 HB3 GLN A 58 9.857 8.705 27.854 1.00 8.40 H new ATOM 0 HG2 GLN A 58 9.131 10.706 25.959 1.00 10.04 H new ATOM 0 HG3 GLN A 58 9.648 9.315 25.482 1.00 10.04 H new ATOM 0 HE21 GLN A 58 6.996 10.886 26.819 1.00 11.29 H new ATOM 0 HE22 GLN A 58 6.002 9.776 26.818 1.00 11.29 H new ATOM 470 N ILE A 59 9.615 10.935 31.020 1.00 9.96 N ATOM 471 CA ILE A 59 9.998 10.678 32.405 1.00 11.21 C ATOM 472 C ILE A 59 9.163 9.539 32.993 1.00 12.35 C ATOM 473 O ILE A 59 7.954 9.572 32.848 1.00 11.71 O ATOM 474 CB ILE A 59 9.935 12.009 33.178 1.00 11.56 C ATOM 475 CG1 ILE A 59 11.105 12.882 32.608 1.00 11.45 C ATOM 476 CG2 ILE A 59 10.020 11.818 34.733 1.00 12.59 C ATOM 477 CD1 ILE A 59 10.986 14.343 33.107 1.00 10.81 C ATOM 0 H ILE A 59 9.077 11.600 30.936 1.00 9.96 H new ATOM 0 HA ILE A 59 10.912 10.360 32.472 1.00 11.21 H new ATOM 0 HB ILE A 59 9.078 12.445 33.050 1.00 11.56 H new ATOM 0 HG12 ILE A 59 11.957 12.509 32.883 1.00 11.45 H new ATOM 0 HG13 ILE A 59 11.087 12.863 31.638 1.00 11.45 H new ATOM 0 HG21 ILE A 59 9.976 12.684 35.168 1.00 12.59 H new ATOM 0 HG22 ILE A 59 9.279 11.268 35.033 1.00 12.59 H new ATOM 0 HG23 ILE A 59 10.857 11.384 34.961 1.00 12.59 H new ATOM 0 HD11 ILE A 59 11.717 14.869 32.746 1.00 10.81 H new ATOM 0 HD12 ILE A 59 10.141 14.718 32.812 1.00 10.81 H new ATOM 0 HD13 ILE A 59 11.025 14.358 34.076 1.00 10.81 H new ATOM 478 N ASN A 60 9.823 8.575 33.611 1.00 12.08 N ATOM 479 CA ASN A 60 9.183 7.385 34.151 1.00 13.04 C ATOM 480 C ASN A 60 8.525 7.509 35.518 1.00 12.50 C ATOM 481 O ASN A 60 9.085 8.072 36.465 1.00 13.31 O ATOM 482 CB ASN A 60 10.236 6.266 34.181 1.00 13.18 C ATOM 483 CG ASN A 60 9.632 4.885 34.345 1.00 14.18 C ATOM 484 OD1 ASN A 60 9.584 4.429 35.493 1.00 16.05 O ATOM 485 ND2 ASN A 60 9.250 4.253 33.224 1.00 16.68 N ATOM 0 H ASN A 60 10.674 8.593 33.732 1.00 12.08 H new ATOM 0 HA ASN A 60 8.435 7.200 33.561 1.00 13.04 H new ATOM 0 HB2 ASN A 60 10.751 6.292 33.360 1.00 13.18 H new ATOM 0 HB3 ASN A 60 10.855 6.431 34.910 1.00 13.18 H new ATOM 0 HD21 ASN A 60 8.937 3.453 33.267 1.00 16.68 H new ATOM 0 HD22 ASN A 60 9.319 4.648 32.463 1.00 16.68 H new ATOM 486 N SER A 61 7.375 6.868 35.603 1.00 12.09 N ATOM 487 CA SER A 61 6.562 6.862 36.834 1.00 13.09 C ATOM 488 C SER A 61 7.139 5.966 37.925 1.00 14.38 C ATOM 489 O SER A 61 6.633 6.145 39.046 1.00 15.23 O ATOM 490 CB SER A 61 5.111 6.440 36.568 1.00 10.82 C ATOM 491 OG SER A 61 5.136 5.101 36.103 1.00 12.15 O ATOM 0 H SER A 61 7.032 6.419 34.954 1.00 12.09 H new ATOM 0 HA SER A 61 6.579 7.780 37.147 1.00 13.09 H new ATOM 0 HB2 SER A 61 4.581 6.510 37.377 1.00 10.82 H new ATOM 0 HB3 SER A 61 4.701 7.022 35.909 1.00 10.82 H new ATOM 0 HG SER A 61 4.527 4.662 36.480 1.00 12.15 H new ATOM 492 N ARG A 62 8.072 5.086 37.663 1.00 14.61 N ATOM 493 CA ARG A 62 8.606 4.271 38.789 1.00 17.75 C ATOM 494 C ARG A 62 9.338 5.159 39.816 1.00 17.44 C ATOM 495 O ARG A 62 9.248 4.926 41.035 1.00 17.41 O ATOM 496 CB ARG A 62 9.502 3.151 38.295 1.00 23.09 C ATOM 497 CG ARG A 62 10.067 2.178 39.323 1.00 28.84 C ATOM 498 CD ARG A 62 10.405 0.859 38.683 1.00 34.79 C ATOM 499 NE ARG A 62 9.246 0.287 37.947 1.00 39.46 N ATOM 500 CZ ARG A 62 8.092 -0.060 38.565 1.00 40.55 C ATOM 501 NH1 ARG A 62 7.924 0.043 39.891 1.00 41.25 N ATOM 502 NH2 ARG A 62 7.048 -0.487 37.856 1.00 40.95 N ATOM 0 H ARG A 62 8.413 4.930 36.889 1.00 14.61 H new ATOM 0 HA ARG A 62 7.849 3.859 39.235 1.00 17.75 H new ATOM 0 HB2 ARG A 62 9.001 2.636 37.643 1.00 23.09 H new ATOM 0 HB3 ARG A 62 10.249 3.554 37.826 1.00 23.09 H new ATOM 0 HG2 ARG A 62 10.861 2.557 39.731 1.00 28.84 H new ATOM 0 HG3 ARG A 62 9.421 2.041 40.034 1.00 28.84 H new ATOM 0 HD2 ARG A 62 11.149 0.977 38.072 1.00 34.79 H new ATOM 0 HD3 ARG A 62 10.695 0.234 39.365 1.00 34.79 H new ATOM 0 HE ARG A 62 9.311 0.172 37.097 1.00 39.46 H new ATOM 0 HH11 ARG A 62 8.564 0.339 40.384 1.00 41.25 H new ATOM 0 HH12 ARG A 62 7.177 -0.187 40.249 1.00 41.25 H new ATOM 0 HH21 ARG A 62 7.104 -0.544 37.000 1.00 40.95 H new ATOM 0 HH22 ARG A 62 6.318 -0.706 38.255 1.00 40.95 H new ATOM 503 N TYR A 63 10.050 6.185 39.369 1.00 16.61 N ATOM 504 CA TYR A 63 10.788 7.023 40.298 1.00 16.97 C ATOM 505 C TYR A 63 10.486 8.482 40.391 1.00 15.46 C ATOM 506 O TYR A 63 10.713 9.077 41.459 1.00 15.94 O ATOM 507 CB TYR A 63 12.331 7.026 39.875 1.00 22.81 C ATOM 508 CG TYR A 63 12.777 5.699 39.306 1.00 27.20 C ATOM 509 CD1 TYR A 63 12.662 5.434 37.945 1.00 27.64 C ATOM 510 CD2 TYR A 63 13.217 4.693 40.171 1.00 29.08 C ATOM 511 CE1 TYR A 63 13.022 4.189 37.452 1.00 30.43 C ATOM 512 CE2 TYR A 63 13.576 3.432 39.678 1.00 30.47 C ATOM 513 CZ TYR A 63 13.480 3.211 38.317 1.00 31.15 C ATOM 514 OH TYR A 63 13.846 1.970 37.843 1.00 35.38 O ATOM 0 H TYR A 63 10.118 6.410 38.542 1.00 16.61 H new ATOM 0 HA TYR A 63 10.533 6.619 41.142 1.00 16.97 H new ATOM 0 HB2 TYR A 63 12.482 7.723 39.218 1.00 22.81 H new ATOM 0 HB3 TYR A 63 12.875 7.242 40.648 1.00 22.81 H new ATOM 0 HD1 TYR A 63 12.345 6.090 37.367 1.00 27.64 H new ATOM 0 HD2 TYR A 63 13.272 4.863 41.084 1.00 29.08 H new ATOM 0 HE1 TYR A 63 12.956 4.012 36.541 1.00 30.43 H new ATOM 0 HE2 TYR A 63 13.871 2.762 40.251 1.00 30.47 H new ATOM 0 HH TYR A 63 14.101 1.490 38.483 1.00 35.38 H new ATOM 515 N TRP A 64 10.078 9.079 39.274 1.00 13.77 N ATOM 516 CA TRP A 64 9.941 10.532 39.230 1.00 12.38 C ATOM 517 C TRP A 64 8.603 11.212 39.417 1.00 13.09 C ATOM 518 O TRP A 64 8.624 12.395 39.879 1.00 12.87 O ATOM 519 CB TRP A 64 10.573 10.959 37.867 1.00 10.33 C ATOM 520 CG TRP A 64 11.876 10.280 37.653 1.00 12.31 C ATOM 521 CD1 TRP A 64 12.183 9.245 36.820 1.00 13.92 C ATOM 522 CD2 TRP A 64 13.101 10.589 38.346 1.00 12.64 C ATOM 523 NE1 TRP A 64 13.501 8.886 36.947 1.00 15.14 N ATOM 524 CE2 TRP A 64 14.094 9.723 37.840 1.00 13.50 C ATOM 525 CE3 TRP A 64 13.426 11.559 39.289 1.00 12.29 C ATOM 526 CZ2 TRP A 64 15.419 9.748 38.289 1.00 14.36 C ATOM 527 CZ3 TRP A 64 14.748 11.562 39.729 1.00 16.50 C ATOM 528 CH2 TRP A 64 15.724 10.683 39.264 1.00 14.52 C ATOM 0 H TRP A 64 9.879 8.670 38.544 1.00 13.77 H new ATOM 0 HA TRP A 64 10.376 10.839 40.041 1.00 12.38 H new ATOM 0 HB2 TRP A 64 9.967 10.740 37.142 1.00 10.33 H new ATOM 0 HB3 TRP A 64 10.698 11.921 37.851 1.00 10.33 H new ATOM 0 HD1 TRP A 64 11.579 8.837 36.242 1.00 13.92 H new ATOM 0 HE1 TRP A 64 13.888 8.240 36.531 1.00 15.14 H new ATOM 0 HE3 TRP A 64 12.799 12.168 39.606 1.00 12.29 H new ATOM 0 HZ2 TRP A 64 16.061 9.167 37.950 1.00 14.36 H new ATOM 0 HZ3 TRP A 64 14.994 12.188 40.371 1.00 16.50 H new ATOM 0 HH2 TRP A 64 16.586 10.724 39.611 1.00 14.52 H new ATOM 529 N CYS A 65 7.537 10.541 38.969 1.00 12.68 N ATOM 530 CA CYS A 65 6.204 11.225 39.160 1.00 12.73 C ATOM 531 C CYS A 65 5.213 10.216 39.714 1.00 12.62 C ATOM 532 O CYS A 65 5.492 9.021 39.637 1.00 14.22 O ATOM 533 CB CYS A 65 5.751 11.880 37.843 1.00 9.76 C ATOM 534 SG CYS A 65 5.473 10.761 36.518 1.00 11.14 S ATOM 0 H CYS A 65 7.533 9.770 38.588 1.00 12.68 H new ATOM 0 HA CYS A 65 6.271 11.947 39.804 1.00 12.73 H new ATOM 0 HB2 CYS A 65 4.933 12.375 38.008 1.00 9.76 H new ATOM 0 HB3 CYS A 65 6.423 12.524 37.570 1.00 9.76 H new ATOM 535 N ASN A 66 4.096 10.685 40.284 1.00 12.56 N ATOM 536 CA ASN A 66 3.132 9.683 40.808 1.00 11.55 C ATOM 537 C ASN A 66 1.944 9.530 39.818 1.00 10.98 C ATOM 538 O ASN A 66 1.342 10.558 39.504 1.00 8.89 O ATOM 539 CB ASN A 66 2.641 10.153 42.176 1.00 12.19 C ATOM 540 CG ASN A 66 1.683 9.082 42.746 1.00 14.58 C ATOM 541 OD1 ASN A 66 1.977 7.892 42.677 1.00 14.68 O ATOM 542 ND2 ASN A 66 0.554 9.574 43.291 1.00 14.12 N ATOM 0 H ASN A 66 3.880 11.512 40.377 1.00 12.56 H new ATOM 0 HA ASN A 66 3.560 8.818 40.900 1.00 11.55 H new ATOM 0 HB2 ASN A 66 3.391 10.288 42.776 1.00 12.19 H new ATOM 0 HB3 ASN A 66 2.185 11.005 42.096 1.00 12.19 H new ATOM 0 HD21 ASN A 66 -0.030 9.039 43.627 1.00 14.12 H new ATOM 0 HD22 ASN A 66 0.417 10.423 43.303 1.00 14.12 H new ATOM 543 N ASP A 67 1.676 8.299 39.462 1.00 12.02 N ATOM 544 CA ASP A 67 0.485 8.058 38.601 1.00 14.15 C ATOM 545 C ASP A 67 -0.457 7.100 39.385 1.00 14.68 C ATOM 546 O ASP A 67 -1.532 6.662 38.967 1.00 13.81 O ATOM 547 CB ASP A 67 0.779 7.717 37.165 1.00 12.85 C ATOM 548 CG ASP A 67 1.427 6.367 37.035 1.00 12.71 C ATOM 549 OD1 ASP A 67 1.700 5.713 38.072 1.00 14.81 O ATOM 550 OD2 ASP A 67 1.601 5.979 35.890 1.00 14.03 O ATOM 0 H ASP A 67 2.130 7.603 39.682 1.00 12.02 H new ATOM 0 HA ASP A 67 0.009 8.889 38.445 1.00 14.15 H new ATOM 0 HB2 ASP A 67 -0.045 7.731 36.654 1.00 12.85 H new ATOM 0 HB3 ASP A 67 1.361 8.393 36.784 1.00 12.85 H new ATOM 551 N GLY A 68 -0.022 6.708 40.567 1.00 14.83 N ATOM 552 CA GLY A 68 -0.747 5.829 41.448 1.00 17.10 C ATOM 553 C GLY A 68 -0.811 4.401 41.028 1.00 19.32 C ATOM 554 O GLY A 68 -1.066 3.554 41.926 1.00 21.31 O ATOM 0 H GLY A 68 0.735 6.959 40.888 1.00 14.83 H new ATOM 0 HA2 GLY A 68 -0.340 5.872 42.328 1.00 17.10 H new ATOM 0 HA3 GLY A 68 -1.653 6.163 41.538 1.00 17.10 H new ATOM 555 N LYS A 69 -0.605 4.066 39.758 1.00 20.46 N ATOM 556 CA LYS A 69 -0.732 2.655 39.383 1.00 21.76 C ATOM 557 C LYS A 69 0.608 1.982 39.163 1.00 23.40 C ATOM 558 O LYS A 69 0.600 0.827 38.686 1.00 24.05 O ATOM 559 CB LYS A 69 -1.572 2.478 38.119 1.00 22.76 C ATOM 560 CG LYS A 69 -1.173 3.364 36.968 1.00 20.42 C ATOM 561 CD LYS A 69 -1.871 3.053 35.679 1.00 21.77 C ATOM 562 CE LYS A 69 -1.188 3.845 34.577 1.00 23.15 C ATOM 563 NZ LYS A 69 -2.118 4.225 33.506 1.00 27.24 N ATOM 0 H LYS A 69 -0.400 4.608 39.123 1.00 20.46 H new ATOM 0 HA LYS A 69 -1.174 2.232 40.136 1.00 21.76 H new ATOM 0 HB2 LYS A 69 -1.514 1.553 37.834 1.00 22.76 H new ATOM 0 HB3 LYS A 69 -2.502 2.650 38.336 1.00 22.76 H new ATOM 0 HG2 LYS A 69 -1.353 4.287 37.207 1.00 20.42 H new ATOM 0 HG3 LYS A 69 -0.216 3.288 36.832 1.00 20.42 H new ATOM 0 HD2 LYS A 69 -1.829 2.102 35.490 1.00 21.77 H new ATOM 0 HD3 LYS A 69 -2.810 3.290 35.735 1.00 21.77 H new ATOM 0 HE2 LYS A 69 -0.790 4.644 34.955 1.00 23.15 H new ATOM 0 HE3 LYS A 69 -0.465 3.318 34.203 1.00 23.15 H new ATOM 0 HZ1 LYS A 69 -1.836 4.976 33.120 1.00 27.24 H new ATOM 0 HZ2 LYS A 69 -2.154 3.575 32.899 1.00 27.24 H new ATOM 0 HZ3 LYS A 69 -2.929 4.355 33.849 1.00 27.24 H new ATOM 564 N THR A 70 1.701 2.647 39.497 1.00 23.86 N ATOM 565 CA THR A 70 2.966 1.974 39.198 1.00 26.97 C ATOM 566 C THR A 70 3.485 0.897 40.095 1.00 29.18 C ATOM 567 O THR A 70 3.989 -0.073 39.405 1.00 32.89 O ATOM 568 CB THR A 70 4.129 2.973 38.778 1.00 26.77 C ATOM 569 OG1 THR A 70 3.518 3.766 37.702 1.00 24.89 O ATOM 570 CG2 THR A 70 5.372 2.160 38.360 1.00 25.85 C ATOM 0 H THR A 70 1.744 3.423 39.866 1.00 23.86 H new ATOM 0 HA THR A 70 2.663 1.456 38.436 1.00 26.97 H new ATOM 0 HB THR A 70 4.454 3.558 39.480 1.00 26.77 H new ATOM 0 HG1 THR A 70 2.998 4.336 38.034 1.00 24.89 H new ATOM 0 HG21 THR A 70 6.084 2.766 38.103 1.00 25.85 H new ATOM 0 HG22 THR A 70 5.667 1.613 39.105 1.00 25.85 H new ATOM 0 HG23 THR A 70 5.148 1.589 37.609 1.00 25.85 H new ATOM 571 N GLY A 71 3.491 0.929 41.393 1.00 30.06 N ATOM 572 CA GLY A 71 4.088 -0.296 42.063 1.00 29.79 C ATOM 573 C GLY A 71 5.522 -0.026 42.487 1.00 30.13 C ATOM 574 O GLY A 71 6.526 0.024 41.746 1.00 30.06 O ATOM 0 H GLY A 71 3.198 1.558 41.901 1.00 30.06 H new ATOM 0 HA2 GLY A 71 3.557 -0.539 42.837 1.00 29.79 H new ATOM 0 HA3 GLY A 71 4.062 -1.050 41.453 1.00 29.79 H new ATOM 575 N GLY A 72 5.612 0.138 43.795 1.00 30.27 N ATOM 576 CA GLY A 72 6.845 0.413 44.545 1.00 30.25 C ATOM 577 C GLY A 72 7.484 1.673 43.979 1.00 30.19 C ATOM 578 O GLY A 72 8.717 1.792 43.901 1.00 31.97 O ATOM 0 H GLY A 72 4.922 0.091 44.306 1.00 30.27 H new ATOM 0 HA2 GLY A 72 6.647 0.530 45.487 1.00 30.25 H new ATOM 0 HA3 GLY A 72 7.457 -0.336 44.474 1.00 30.25 H new ATOM 579 N ALA A 73 6.644 2.621 43.574 1.00 28.58 N ATOM 580 CA ALA A 73 7.166 3.837 42.968 1.00 27.13 C ATOM 581 C ALA A 73 7.387 4.967 43.942 1.00 26.21 C ATOM 582 O ALA A 73 6.771 5.052 45.018 1.00 27.32 O ATOM 583 CB ALA A 73 6.227 4.307 41.855 1.00 28.25 C ATOM 0 H ALA A 73 5.787 2.581 43.639 1.00 28.58 H new ATOM 0 HA ALA A 73 8.038 3.604 42.614 1.00 27.13 H new ATOM 0 HB1 ALA A 73 6.579 5.117 41.455 1.00 28.25 H new ATOM 0 HB2 ALA A 73 6.157 3.616 41.178 1.00 28.25 H new ATOM 0 HB3 ALA A 73 5.349 4.486 42.226 1.00 28.25 H new ATOM 584 N VAL A 74 8.307 5.811 43.494 1.00 23.82 N ATOM 585 CA VAL A 74 8.580 7.038 44.267 1.00 22.91 C ATOM 586 C VAL A 74 8.161 8.170 43.302 1.00 20.73 C ATOM 587 O VAL A 74 7.867 7.969 42.115 1.00 21.00 O ATOM 588 CB VAL A 74 9.941 7.110 44.932 1.00 23.25 C ATOM 589 CG1 VAL A 74 9.871 6.193 46.173 1.00 24.80 C ATOM 590 CG2 VAL A 74 11.048 6.676 43.999 1.00 22.64 C ATOM 0 H VAL A 74 8.772 5.709 42.778 1.00 23.82 H new ATOM 0 HA VAL A 74 8.069 7.098 45.089 1.00 22.91 H new ATOM 0 HB VAL A 74 10.148 8.024 45.181 1.00 23.25 H new ATOM 0 HG11 VAL A 74 10.724 6.206 46.634 1.00 24.80 H new ATOM 0 HG12 VAL A 74 9.176 6.510 46.771 1.00 24.80 H new ATOM 0 HG13 VAL A 74 9.669 5.286 45.894 1.00 24.80 H new ATOM 0 HG21 VAL A 74 11.900 6.735 44.458 1.00 22.64 H new ATOM 0 HG22 VAL A 74 10.895 5.760 43.719 1.00 22.64 H new ATOM 0 HG23 VAL A 74 11.060 7.254 43.220 1.00 22.64 H new ATOM 591 N ASN A 75 8.161 9.320 43.895 1.00 19.15 N ATOM 592 CA ASN A 75 7.776 10.565 43.219 1.00 17.35 C ATOM 593 C ASN A 75 8.819 11.614 43.593 1.00 15.99 C ATOM 594 O ASN A 75 8.551 12.619 44.289 1.00 16.29 O ATOM 595 CB ASN A 75 6.320 10.836 43.679 1.00 15.95 C ATOM 596 CG ASN A 75 5.773 12.139 43.179 1.00 15.47 C ATOM 597 OD1 ASN A 75 6.258 12.723 42.190 1.00 16.74 O ATOM 598 ND2 ASN A 75 4.747 12.688 43.847 1.00 14.98 N ATOM 0 H ASN A 75 8.385 9.427 44.718 1.00 19.15 H new ATOM 0 HA ASN A 75 7.769 10.551 42.249 1.00 17.35 H new ATOM 0 HB2 ASN A 75 5.750 10.114 43.371 1.00 15.95 H new ATOM 0 HB3 ASN A 75 6.287 10.829 44.648 1.00 15.95 H new ATOM 0 HD21 ASN A 75 4.423 13.443 43.593 1.00 14.98 H new ATOM 0 HD22 ASN A 75 4.413 12.285 44.529 1.00 14.98 H new ATOM 599 N ALA A 76 10.030 11.354 43.079 1.00 16.82 N ATOM 600 CA ALA A 76 11.177 12.252 43.376 1.00 15.86 C ATOM 601 C ALA A 76 10.905 13.652 42.936 1.00 16.22 C ATOM 602 O ALA A 76 11.380 14.611 43.624 1.00 16.38 O ATOM 603 CB ALA A 76 12.470 11.661 42.832 1.00 14.68 C ATOM 0 H ALA A 76 10.213 10.685 42.570 1.00 16.82 H new ATOM 0 HA ALA A 76 11.295 12.313 44.337 1.00 15.86 H new ATOM 0 HB1 ALA A 76 13.208 12.257 43.033 1.00 14.68 H new ATOM 0 HB2 ALA A 76 12.630 10.798 43.245 1.00 14.68 H new ATOM 0 HB3 ALA A 76 12.397 11.551 41.871 1.00 14.68 H new ATOM 604 N CYS A 77 10.170 13.827 41.811 1.00 15.25 N ATOM 605 CA CYS A 77 9.883 15.233 41.418 1.00 14.54 C ATOM 606 C CYS A 77 8.713 15.847 42.189 1.00 14.59 C ATOM 607 O CYS A 77 8.448 17.048 41.951 1.00 15.74 O ATOM 608 CB CYS A 77 9.689 15.382 39.941 1.00 12.34 C ATOM 609 SG CYS A 77 11.067 14.879 38.880 1.00 12.06 S ATOM 0 H CYS A 77 9.854 13.209 41.303 1.00 15.25 H new ATOM 0 HA CYS A 77 10.676 15.735 41.665 1.00 14.54 H new ATOM 0 HB2 CYS A 77 8.908 14.867 39.686 1.00 12.34 H new ATOM 0 HB3 CYS A 77 9.489 16.313 39.755 1.00 12.34 H new ATOM 610 N HIS A 78 8.050 15.105 43.031 1.00 15.21 N ATOM 611 CA HIS A 78 6.906 15.619 43.788 1.00 16.43 C ATOM 612 C HIS A 78 5.865 16.231 42.850 1.00 15.51 C ATOM 613 O HIS A 78 5.463 17.389 42.986 1.00 16.78 O ATOM 614 CB HIS A 78 7.243 16.653 44.891 1.00 23.45 C ATOM 615 CG HIS A 78 8.434 16.213 45.684 1.00 27.79 C ATOM 616 ND1 HIS A 78 9.580 17.011 45.857 1.00 30.97 N ATOM 617 CD2 HIS A 78 8.658 15.022 46.293 1.00 28.94 C ATOM 618 CE1 HIS A 78 10.450 16.312 46.580 1.00 30.65 C ATOM 619 NE2 HIS A 78 9.920 15.111 46.836 1.00 32.11 N ATOM 0 H HIS A 78 8.238 14.282 43.193 1.00 15.21 H new ATOM 0 HA HIS A 78 6.559 14.836 44.244 1.00 16.43 H new ATOM 0 HB2 HIS A 78 7.419 17.517 44.487 1.00 23.45 H new ATOM 0 HB3 HIS A 78 6.480 16.765 45.480 1.00 23.45 H new ATOM 0 HD2 HIS A 78 8.079 14.296 46.335 1.00 28.94 H new ATOM 0 HE1 HIS A 78 11.286 16.608 46.860 1.00 30.65 H new ATOM 0 HE2 HIS A 78 10.311 14.484 47.276 1.00 32.11 H new ATOM 620 N LEU A 79 5.448 15.396 41.903 1.00 15.03 N ATOM 621 CA LEU A 79 4.422 15.856 40.943 1.00 15.46 C ATOM 622 C LEU A 79 3.529 14.659 40.562 1.00 13.22 C ATOM 623 O LEU A 79 3.948 13.518 40.589 1.00 12.24 O ATOM 624 CB LEU A 79 5.127 16.290 39.647 1.00 17.63 C ATOM 625 CG LEU A 79 6.015 17.467 39.510 1.00 18.90 C ATOM 626 CD1 LEU A 79 6.700 17.426 38.109 1.00 19.18 C ATOM 627 CD2 LEU A 79 5.151 18.742 39.593 1.00 19.33 C ATOM 0 H LEU A 79 5.727 14.590 41.793 1.00 15.03 H new ATOM 0 HA LEU A 79 3.908 16.578 41.338 1.00 15.46 H new ATOM 0 HB2 LEU A 79 5.653 15.526 39.363 1.00 17.63 H new ATOM 0 HB3 LEU A 79 4.424 16.410 38.990 1.00 17.63 H new ATOM 0 HG LEU A 79 6.686 17.462 40.210 1.00 18.90 H new ATOM 0 HD11 LEU A 79 7.284 18.194 38.011 1.00 19.18 H new ATOM 0 HD12 LEU A 79 7.221 16.612 38.027 1.00 19.18 H new ATOM 0 HD13 LEU A 79 6.021 17.446 37.416 1.00 19.18 H new ATOM 0 HD21 LEU A 79 5.718 19.524 39.505 1.00 19.33 H new ATOM 0 HD22 LEU A 79 4.496 18.736 38.878 1.00 19.33 H new ATOM 0 HD23 LEU A 79 4.695 18.769 40.449 1.00 19.33 H new ATOM 628 N SER A 80 2.344 15.063 40.127 1.00 13.60 N ATOM 629 CA SER A 80 1.404 14.069 39.556 1.00 11.81 C ATOM 630 C SER A 80 2.012 13.886 38.134 1.00 12.17 C ATOM 631 O SER A 80 2.499 14.885 37.564 1.00 10.88 O ATOM 632 CB SER A 80 0.021 14.696 39.358 1.00 12.42 C ATOM 633 OG SER A 80 -0.699 13.857 38.460 1.00 14.11 O ATOM 0 H SER A 80 2.060 15.874 40.145 1.00 13.60 H new ATOM 0 HA SER A 80 1.304 13.272 40.100 1.00 11.81 H new ATOM 0 HB2 SER A 80 -0.445 14.770 40.205 1.00 12.42 H new ATOM 0 HB3 SER A 80 0.101 15.593 38.998 1.00 12.42 H new ATOM 0 HG SER A 80 -1.466 14.176 38.332 1.00 14.11 H new ATOM 634 N CYS A 81 1.963 12.715 37.567 1.00 12.28 N ATOM 635 CA CYS A 81 2.462 12.459 36.202 1.00 10.88 C ATOM 636 C CYS A 81 1.648 13.297 35.215 1.00 11.06 C ATOM 637 O CYS A 81 2.128 13.640 34.114 1.00 10.92 O ATOM 638 CB CYS A 81 2.516 11.001 35.831 1.00 10.49 C ATOM 639 SG CYS A 81 3.582 10.022 36.920 1.00 11.65 S ATOM 0 H CYS A 81 1.637 12.019 37.952 1.00 12.28 H new ATOM 0 HA CYS A 81 3.391 12.734 36.165 1.00 10.88 H new ATOM 0 HB2 CYS A 81 1.618 10.635 35.854 1.00 10.49 H new ATOM 0 HB3 CYS A 81 2.833 10.918 34.918 1.00 10.49 H new ATOM 640 N SER A 82 0.441 13.646 35.626 1.00 10.63 N ATOM 641 CA SER A 82 -0.413 14.513 34.771 1.00 10.22 C ATOM 642 C SER A 82 0.321 15.816 34.469 1.00 9.52 C ATOM 643 O SER A 82 0.134 16.360 33.354 1.00 9.93 O ATOM 644 CB SER A 82 -1.704 14.878 35.536 1.00 12.07 C ATOM 645 OG SER A 82 -2.533 15.713 34.701 1.00 16.07 O ATOM 0 H SER A 82 0.089 13.408 36.374 1.00 10.63 H new ATOM 0 HA SER A 82 -0.619 14.036 33.952 1.00 10.22 H new ATOM 0 HB2 SER A 82 -2.184 14.072 35.784 1.00 12.07 H new ATOM 0 HB3 SER A 82 -1.484 15.342 36.359 1.00 12.07 H new ATOM 0 HG SER A 82 -2.163 15.817 33.954 1.00 16.07 H new ATOM 646 N ALA A 83 1.127 16.308 35.403 1.00 8.08 N ATOM 647 CA ALA A 83 1.832 17.568 35.180 1.00 8.41 C ATOM 648 C ALA A 83 2.785 17.536 33.987 1.00 9.05 C ATOM 649 O ALA A 83 3.115 18.606 33.410 1.00 10.67 O ATOM 650 CB ALA A 83 2.583 17.982 36.448 1.00 8.27 C ATOM 0 H ALA A 83 1.279 15.935 36.163 1.00 8.08 H new ATOM 0 HA ALA A 83 1.153 18.227 34.965 1.00 8.41 H new ATOM 0 HB1 ALA A 83 3.048 18.819 36.290 1.00 8.27 H new ATOM 0 HB2 ALA A 83 1.952 18.095 37.176 1.00 8.27 H new ATOM 0 HB3 ALA A 83 3.226 17.295 36.682 1.00 8.27 H new ATOM 651 N LEU A 84 3.224 16.373 33.602 1.00 10.19 N ATOM 652 CA LEU A 84 4.147 16.112 32.511 1.00 10.59 C ATOM 653 C LEU A 84 3.468 15.947 31.164 1.00 12.46 C ATOM 654 O LEU A 84 4.131 15.595 30.175 1.00 12.42 O ATOM 655 CB LEU A 84 4.995 14.879 32.866 1.00 9.10 C ATOM 656 CG LEU A 84 5.737 14.978 34.194 1.00 10.96 C ATOM 657 CD1 LEU A 84 6.464 13.648 34.456 1.00 11.17 C ATOM 658 CD2 LEU A 84 6.627 16.206 34.218 1.00 11.70 C ATOM 0 H LEU A 84 2.978 15.649 33.996 1.00 10.19 H new ATOM 0 HA LEU A 84 4.714 16.892 32.410 1.00 10.59 H new ATOM 0 HB2 LEU A 84 4.417 14.100 32.889 1.00 9.10 H new ATOM 0 HB3 LEU A 84 5.642 14.732 32.158 1.00 9.10 H new ATOM 0 HG LEU A 84 5.120 15.107 34.932 1.00 10.96 H new ATOM 0 HD11 LEU A 84 6.940 13.700 35.300 1.00 11.17 H new ATOM 0 HD12 LEU A 84 5.816 12.927 34.495 1.00 11.17 H new ATOM 0 HD13 LEU A 84 7.095 13.477 33.739 1.00 11.17 H new ATOM 0 HD21 LEU A 84 7.091 16.253 35.069 1.00 11.70 H new ATOM 0 HD22 LEU A 84 7.276 16.150 33.499 1.00 11.70 H new ATOM 0 HD23 LEU A 84 6.084 17.002 34.101 1.00 11.70 H new ATOM 659 N LEU A 85 2.165 16.240 31.131 1.00 11.02 N ATOM 660 CA LEU A 85 1.429 16.157 29.861 1.00 10.17 C ATOM 661 C LEU A 85 0.889 17.538 29.536 1.00 10.38 C ATOM 662 O LEU A 85 0.109 17.622 28.595 1.00 11.72 O ATOM 663 CB LEU A 85 0.330 15.082 29.913 1.00 9.82 C ATOM 664 CG LEU A 85 0.737 13.660 30.252 1.00 10.78 C ATOM 665 CD1 LEU A 85 -0.430 12.736 30.558 1.00 11.39 C ATOM 666 CD2 LEU A 85 1.488 13.108 29.031 1.00 10.79 C ATOM 0 H LEU A 85 1.698 16.482 31.811 1.00 11.02 H new ATOM 0 HA LEU A 85 2.024 15.878 29.147 1.00 10.17 H new ATOM 0 HB2 LEU A 85 -0.331 15.365 30.564 1.00 9.82 H new ATOM 0 HB3 LEU A 85 -0.111 15.067 29.049 1.00 9.82 H new ATOM 0 HG LEU A 85 1.277 13.690 31.058 1.00 10.78 H new ATOM 0 HD11 LEU A 85 -0.095 11.849 30.765 1.00 11.39 H new ATOM 0 HD12 LEU A 85 -0.924 13.080 31.318 1.00 11.39 H new ATOM 0 HD13 LEU A 85 -1.016 12.688 29.787 1.00 11.39 H new ATOM 0 HD21 LEU A 85 1.767 12.196 29.208 1.00 10.79 H new ATOM 0 HD22 LEU A 85 0.903 13.123 28.257 1.00 10.79 H new ATOM 0 HD23 LEU A 85 2.269 13.656 28.856 1.00 10.79 H new ATOM 667 N GLN A 86 1.282 18.564 30.216 1.00 10.53 N ATOM 668 CA GLN A 86 0.812 19.936 29.895 1.00 10.31 C ATOM 669 C GLN A 86 1.550 20.495 28.681 1.00 11.87 C ATOM 670 O GLN A 86 2.644 19.996 28.328 1.00 11.52 O ATOM 671 CB GLN A 86 1.100 20.905 31.020 1.00 12.01 C ATOM 672 CG GLN A 86 0.406 20.503 32.341 1.00 14.15 C ATOM 673 CD GLN A 86 0.853 21.426 33.448 1.00 14.70 C ATOM 674 OE1 GLN A 86 0.326 22.532 33.601 1.00 16.04 O ATOM 675 NE2 GLN A 86 1.878 21.032 34.225 1.00 14.86 N ATOM 0 H GLN A 86 1.826 18.521 30.880 1.00 10.53 H new ATOM 0 HA GLN A 86 -0.142 19.856 29.736 1.00 10.31 H new ATOM 0 HB2 GLN A 86 2.058 20.954 31.163 1.00 12.01 H new ATOM 0 HB3 GLN A 86 0.807 21.793 30.761 1.00 12.01 H new ATOM 0 HG2 GLN A 86 -0.557 20.549 32.238 1.00 14.15 H new ATOM 0 HG3 GLN A 86 0.624 19.585 32.565 1.00 14.15 H new ATOM 0 HE21 GLN A 86 2.235 20.259 34.106 1.00 14.86 H new ATOM 0 HE22 GLN A 86 2.176 21.554 34.840 1.00 14.86 H new ATOM 676 N ASP A 87 0.913 21.461 28.031 1.00 10.84 N ATOM 677 CA ASP A 87 1.510 22.141 26.885 1.00 12.48 C ATOM 678 C ASP A 87 2.642 23.053 27.468 1.00 12.55 C ATOM 679 O ASP A 87 3.597 23.235 26.725 1.00 14.96 O ATOM 680 CB ASP A 87 0.502 22.977 26.101 1.00 12.87 C ATOM 681 CG ASP A 87 -0.332 22.152 25.113 1.00 12.15 C ATOM 682 OD1 ASP A 87 -0.294 20.939 24.972 1.00 12.11 O ATOM 683 OD2 ASP A 87 -1.062 22.877 24.384 1.00 13.57 O ATOM 0 H ASP A 87 0.127 21.741 28.239 1.00 10.84 H new ATOM 0 HA ASP A 87 1.850 21.489 26.253 1.00 12.48 H new ATOM 0 HB2 ASP A 87 -0.093 23.423 26.724 1.00 12.87 H new ATOM 0 HB3 ASP A 87 0.975 23.671 25.615 1.00 12.87 H new ATOM 684 N ASN A 88 2.447 23.572 28.658 1.00 12.19 N ATOM 685 CA ASN A 88 3.464 24.433 29.299 1.00 13.30 C ATOM 686 C ASN A 88 4.513 23.420 29.881 1.00 12.67 C ATOM 687 O ASN A 88 4.023 22.614 30.671 1.00 10.99 O ATOM 688 CB ASN A 88 2.877 25.262 30.415 1.00 16.07 C ATOM 689 CG ASN A 88 4.026 26.065 31.078 1.00 19.12 C ATOM 690 OD1 ASN A 88 4.820 25.512 31.815 1.00 20.07 O ATOM 691 ND2 ASN A 88 4.131 27.337 30.764 1.00 22.14 N ATOM 0 H ASN A 88 1.737 23.448 29.127 1.00 12.19 H new ATOM 0 HA ASN A 88 3.845 25.065 28.669 1.00 13.30 H new ATOM 0 HB2 ASN A 88 2.200 25.864 30.069 1.00 16.07 H new ATOM 0 HB3 ASN A 88 2.443 24.691 31.068 1.00 16.07 H new ATOM 0 HD21 ASN A 88 4.777 27.807 31.083 1.00 22.14 H new ATOM 0 HD22 ASN A 88 3.553 27.700 30.240 1.00 22.14 H new ATOM 692 N ILE A 89 5.772 23.508 29.489 1.00 11.82 N ATOM 693 CA ILE A 89 6.789 22.533 29.955 1.00 11.87 C ATOM 694 C ILE A 89 7.559 22.908 31.203 1.00 11.44 C ATOM 695 O ILE A 89 8.454 22.122 31.572 1.00 10.13 O ATOM 696 CB ILE A 89 7.765 22.130 28.778 1.00 11.59 C ATOM 697 CG1 ILE A 89 8.572 23.361 28.286 1.00 10.20 C ATOM 698 CG2 ILE A 89 6.990 21.452 27.634 1.00 11.56 C ATOM 699 CD1 ILE A 89 9.756 22.977 27.305 1.00 11.93 C ATOM 0 H ILE A 89 6.072 24.114 28.958 1.00 11.82 H new ATOM 0 HA ILE A 89 6.267 21.764 30.232 1.00 11.87 H new ATOM 0 HB ILE A 89 8.405 21.483 29.114 1.00 11.59 H new ATOM 0 HG12 ILE A 89 7.972 23.975 27.835 1.00 10.20 H new ATOM 0 HG13 ILE A 89 8.934 23.831 29.053 1.00 10.20 H new ATOM 0 HG21 ILE A 89 7.605 21.213 26.923 1.00 11.56 H new ATOM 0 HG22 ILE A 89 6.555 20.652 27.967 1.00 11.56 H new ATOM 0 HG23 ILE A 89 6.321 22.064 27.289 1.00 11.56 H new ATOM 0 HD11 ILE A 89 10.223 23.782 27.031 1.00 11.93 H new ATOM 0 HD12 ILE A 89 10.374 22.384 27.760 1.00 11.93 H new ATOM 0 HD13 ILE A 89 9.396 22.530 26.523 1.00 11.93 H new ATOM 700 N ALA A 90 7.126 23.956 31.882 1.00 10.39 N ATOM 701 CA ALA A 90 7.850 24.344 33.120 1.00 10.21 C ATOM 702 C ALA A 90 7.998 23.223 34.117 1.00 11.39 C ATOM 703 O ALA A 90 9.108 23.041 34.702 1.00 10.47 O ATOM 704 CB ALA A 90 7.190 25.575 33.681 1.00 9.67 C ATOM 0 H ALA A 90 6.451 24.445 31.671 1.00 10.39 H new ATOM 0 HA ALA A 90 8.771 24.552 32.897 1.00 10.21 H new ATOM 0 HB1 ALA A 90 7.648 25.847 34.492 1.00 9.67 H new ATOM 0 HB2 ALA A 90 7.235 26.292 33.029 1.00 9.67 H new ATOM 0 HB3 ALA A 90 6.262 25.381 33.884 1.00 9.67 H new ATOM 705 N ASP A 91 6.908 22.443 34.363 1.00 10.64 N ATOM 706 CA ASP A 91 7.035 21.344 35.333 1.00 11.35 C ATOM 707 C ASP A 91 7.914 20.203 34.786 1.00 9.93 C ATOM 708 O ASP A 91 8.652 19.593 35.591 1.00 10.12 O ATOM 709 CB ASP A 91 5.678 20.774 35.827 1.00 14.39 C ATOM 710 CG ASP A 91 4.836 21.846 36.512 1.00 16.68 C ATOM 711 OD1 ASP A 91 3.619 21.897 36.281 1.00 17.67 O ATOM 712 OD2 ASP A 91 5.409 22.687 37.239 1.00 17.62 O ATOM 0 H ASP A 91 6.135 22.534 33.997 1.00 10.64 H new ATOM 0 HA ASP A 91 7.467 21.744 36.104 1.00 11.35 H new ATOM 0 HB2 ASP A 91 5.187 20.407 35.075 1.00 14.39 H new ATOM 0 HB3 ASP A 91 5.838 20.043 36.445 1.00 14.39 H new ATOM 713 N ALA A 92 7.804 19.923 33.508 1.00 9.67 N ATOM 714 CA ALA A 92 8.603 18.835 32.918 1.00 9.99 C ATOM 715 C ALA A 92 10.105 19.202 33.016 1.00 10.56 C ATOM 716 O ALA A 92 10.908 18.282 33.298 1.00 11.16 O ATOM 717 CB ALA A 92 8.176 18.569 31.482 1.00 9.25 C ATOM 0 H ALA A 92 7.285 20.334 32.959 1.00 9.67 H new ATOM 0 HA ALA A 92 8.453 18.013 33.411 1.00 9.99 H new ATOM 0 HB1 ALA A 92 8.713 17.851 31.112 1.00 9.25 H new ATOM 0 HB2 ALA A 92 7.240 18.315 31.464 1.00 9.25 H new ATOM 0 HB3 ALA A 92 8.302 19.372 30.953 1.00 9.25 H new ATOM 718 N VAL A 93 10.419 20.450 32.749 1.00 10.19 N ATOM 719 CA VAL A 93 11.810 20.947 32.833 1.00 11.12 C ATOM 720 C VAL A 93 12.299 20.835 34.277 1.00 11.12 C ATOM 721 O VAL A 93 13.398 20.339 34.553 1.00 9.65 O ATOM 722 CB VAL A 93 11.935 22.357 32.235 1.00 11.02 C ATOM 723 CG1 VAL A 93 13.177 23.130 32.673 1.00 12.79 C ATOM 724 CG2 VAL A 93 11.853 22.297 30.715 1.00 11.55 C ATOM 0 H VAL A 93 9.846 21.046 32.513 1.00 10.19 H new ATOM 0 HA VAL A 93 12.395 20.395 32.291 1.00 11.12 H new ATOM 0 HB VAL A 93 11.184 22.856 32.591 1.00 11.02 H new ATOM 0 HG11 VAL A 93 13.179 24.004 32.253 1.00 12.79 H new ATOM 0 HG12 VAL A 93 13.170 23.235 33.637 1.00 12.79 H new ATOM 0 HG13 VAL A 93 13.972 22.642 32.407 1.00 12.79 H new ATOM 0 HG21 VAL A 93 11.933 23.192 30.351 1.00 11.55 H new ATOM 0 HG22 VAL A 93 12.573 21.744 30.373 1.00 11.55 H new ATOM 0 HG23 VAL A 93 11.001 21.916 30.451 1.00 11.55 H new ATOM 725 N ALA A 94 11.493 21.276 35.244 1.00 10.83 N ATOM 726 CA ALA A 94 11.878 21.193 36.660 1.00 10.56 C ATOM 727 C ALA A 94 12.169 19.758 37.041 1.00 9.60 C ATOM 728 O ALA A 94 13.055 19.451 37.855 1.00 9.77 O ATOM 729 CB ALA A 94 10.836 21.851 37.564 1.00 9.06 C ATOM 0 H ALA A 94 10.720 21.626 35.104 1.00 10.83 H new ATOM 0 HA ALA A 94 12.697 21.696 36.791 1.00 10.56 H new ATOM 0 HB1 ALA A 94 11.119 21.780 38.489 1.00 9.06 H new ATOM 0 HB2 ALA A 94 10.745 22.787 37.325 1.00 9.06 H new ATOM 0 HB3 ALA A 94 9.982 21.405 37.452 1.00 9.06 H new ATOM 730 N CYS A 95 11.445 18.797 36.540 1.00 9.30 N ATOM 731 CA CYS A 95 11.600 17.378 36.835 1.00 10.00 C ATOM 732 C CYS A 95 12.851 16.827 36.131 1.00 9.82 C ATOM 733 O CYS A 95 13.620 16.031 36.758 1.00 10.09 O ATOM 734 CB CYS A 95 10.312 16.594 36.544 1.00 8.99 C ATOM 735 SG CYS A 95 10.313 14.866 37.018 1.00 11.61 S ATOM 0 H CYS A 95 10.808 18.950 35.983 1.00 9.30 H new ATOM 0 HA CYS A 95 11.747 17.261 37.787 1.00 10.00 H new ATOM 0 HB2 CYS A 95 9.578 17.035 36.999 1.00 8.99 H new ATOM 0 HB3 CYS A 95 10.130 16.649 35.593 1.00 8.99 H new ATOM 736 N ALA A 96 13.016 17.219 34.875 1.00 9.66 N ATOM 737 CA ALA A 96 14.214 16.751 34.118 1.00 8.58 C ATOM 738 C ALA A 96 15.459 17.261 34.877 1.00 8.90 C ATOM 739 O ALA A 96 16.420 16.475 34.956 1.00 9.93 O ATOM 740 CB ALA A 96 14.229 17.263 32.693 1.00 9.26 C ATOM 0 H ALA A 96 12.481 17.734 34.442 1.00 9.66 H new ATOM 0 HA ALA A 96 14.201 15.783 34.061 1.00 8.58 H new ATOM 0 HB1 ALA A 96 15.022 16.936 32.240 1.00 9.26 H new ATOM 0 HB2 ALA A 96 13.438 16.949 32.228 1.00 9.26 H new ATOM 0 HB3 ALA A 96 14.237 18.233 32.698 1.00 9.26 H new ATOM 741 N LYS A 97 15.415 18.472 35.394 1.00 9.09 N ATOM 742 CA LYS A 97 16.566 18.988 36.179 1.00 10.07 C ATOM 743 C LYS A 97 16.787 18.124 37.382 1.00 11.56 C ATOM 744 O LYS A 97 17.950 17.762 37.750 1.00 12.19 O ATOM 745 CB LYS A 97 16.377 20.446 36.613 1.00 10.38 C ATOM 746 CG LYS A 97 16.356 21.475 35.498 1.00 10.06 C ATOM 747 CD LYS A 97 15.990 22.867 35.980 1.00 9.54 C ATOM 748 CE LYS A 97 16.087 23.870 34.842 1.00 10.52 C ATOM 749 NZ LYS A 97 15.897 25.203 35.431 1.00 11.09 N ATOM 0 H LYS A 97 14.753 19.015 35.316 1.00 9.09 H new ATOM 0 HA LYS A 97 17.344 18.960 35.600 1.00 10.07 H new ATOM 0 HB2 LYS A 97 15.544 20.513 37.106 1.00 10.38 H new ATOM 0 HB3 LYS A 97 17.090 20.677 37.228 1.00 10.38 H new ATOM 0 HG2 LYS A 97 17.229 21.504 35.075 1.00 10.06 H new ATOM 0 HG3 LYS A 97 15.721 21.196 34.820 1.00 10.06 H new ATOM 0 HD2 LYS A 97 15.089 22.864 36.339 1.00 9.54 H new ATOM 0 HD3 LYS A 97 16.582 23.131 36.702 1.00 9.54 H new ATOM 0 HE2 LYS A 97 16.949 23.808 34.402 1.00 10.52 H new ATOM 0 HE3 LYS A 97 15.412 23.692 34.169 1.00 10.52 H new ATOM 0 HZ1 LYS A 97 15.817 25.806 34.781 1.00 11.09 H new ATOM 0 HZ2 LYS A 97 15.160 25.205 35.930 1.00 11.09 H new ATOM 0 HZ3 LYS A 97 16.599 25.406 35.939 1.00 11.09 H new ATOM 750 N ARG A 98 15.740 17.694 38.087 1.00 11.70 N ATOM 751 CA ARG A 98 15.839 16.789 39.236 1.00 10.71 C ATOM 752 C ARG A 98 16.444 15.481 38.797 1.00 10.09 C ATOM 753 O ARG A 98 17.315 14.907 39.489 1.00 11.29 O ATOM 754 CB ARG A 98 14.466 16.513 39.917 1.00 10.20 C ATOM 755 CG ARG A 98 14.469 15.349 40.892 1.00 12.55 C ATOM 756 CD ARG A 98 15.171 15.761 42.184 1.00 16.30 C ATOM 757 NE ARG A 98 15.423 14.649 43.087 1.00 18.63 N ATOM 758 CZ ARG A 98 16.240 13.612 42.924 1.00 19.20 C ATOM 759 NH1 ARG A 98 16.206 12.679 43.877 1.00 20.55 N ATOM 760 NH2 ARG A 98 17.121 13.438 41.918 1.00 19.06 N ATOM 0 H ARG A 98 14.932 17.926 37.906 1.00 11.70 H new ATOM 0 HA ARG A 98 16.402 17.229 39.892 1.00 10.71 H new ATOM 0 HB2 ARG A 98 14.184 17.313 40.387 1.00 10.20 H new ATOM 0 HB3 ARG A 98 13.805 16.341 39.228 1.00 10.20 H new ATOM 0 HG2 ARG A 98 13.559 15.073 41.082 1.00 12.55 H new ATOM 0 HG3 ARG A 98 14.920 14.586 40.497 1.00 12.55 H new ATOM 0 HD2 ARG A 98 16.014 16.187 41.964 1.00 16.30 H new ATOM 0 HD3 ARG A 98 14.629 16.423 42.641 1.00 16.30 H new ATOM 0 HE ARG A 98 14.984 14.664 43.827 1.00 18.63 H new ATOM 0 HH11 ARG A 98 15.676 12.769 44.548 1.00 20.55 H new ATOM 0 HH12 ARG A 98 16.714 11.988 43.820 1.00 20.55 H new ATOM 0 HH21 ARG A 98 17.192 14.033 41.301 1.00 19.06 H new ATOM 0 HH22 ARG A 98 17.612 12.732 41.893 1.00 19.06 H new ATOM 761 N VAL A 99 16.035 14.887 37.685 1.00 10.28 N ATOM 762 CA VAL A 99 16.577 13.616 37.213 1.00 10.50 C ATOM 763 C VAL A 99 18.128 13.702 37.050 1.00 11.61 C ATOM 764 O VAL A 99 18.769 12.731 37.473 1.00 12.40 O ATOM 765 CB VAL A 99 15.994 13.161 35.861 1.00 11.96 C ATOM 766 CG1 VAL A 99 16.689 11.965 35.220 1.00 11.24 C ATOM 767 CG2 VAL A 99 14.480 12.942 36.001 1.00 11.61 C ATOM 0 H VAL A 99 15.426 15.214 37.174 1.00 10.28 H new ATOM 0 HA VAL A 99 16.327 12.968 37.890 1.00 10.50 H new ATOM 0 HB VAL A 99 16.167 13.882 35.236 1.00 11.96 H new ATOM 0 HG11 VAL A 99 16.256 11.752 34.378 1.00 11.24 H new ATOM 0 HG12 VAL A 99 17.621 12.180 35.059 1.00 11.24 H new ATOM 0 HG13 VAL A 99 16.632 11.201 35.815 1.00 11.24 H new ATOM 0 HG21 VAL A 99 14.114 12.656 35.149 1.00 11.61 H new ATOM 0 HG22 VAL A 99 14.312 12.260 36.670 1.00 11.61 H new ATOM 0 HG23 VAL A 99 14.057 13.772 36.272 1.00 11.61 H new ATOM 768 N VAL A 100 18.602 14.747 36.407 1.00 10.75 N ATOM 769 CA VAL A 100 20.050 14.833 36.175 1.00 11.03 C ATOM 770 C VAL A 100 20.839 15.191 37.415 1.00 13.42 C ATOM 771 O VAL A 100 22.107 15.132 37.342 1.00 13.61 O ATOM 772 CB VAL A 100 20.417 15.622 34.937 1.00 8.29 C ATOM 773 CG1 VAL A 100 19.763 15.003 33.697 1.00 10.00 C ATOM 774 CG2 VAL A 100 20.183 17.140 35.090 1.00 8.72 C ATOM 0 H VAL A 100 18.134 15.401 36.102 1.00 10.75 H new ATOM 0 HA VAL A 100 20.336 13.929 35.969 1.00 11.03 H new ATOM 0 HB VAL A 100 21.376 15.554 34.811 1.00 8.29 H new ATOM 0 HG11 VAL A 100 20.006 15.518 32.912 1.00 10.00 H new ATOM 0 HG12 VAL A 100 20.070 14.089 33.592 1.00 10.00 H new ATOM 0 HG13 VAL A 100 18.799 15.010 33.802 1.00 10.00 H new ATOM 0 HG21 VAL A 100 20.435 17.591 34.269 1.00 8.72 H new ATOM 0 HG22 VAL A 100 19.245 17.306 35.275 1.00 8.72 H new ATOM 0 HG23 VAL A 100 20.721 17.478 35.822 1.00 8.72 H new ATOM 775 N ARG A 101 20.191 15.549 38.498 1.00 12.96 N ATOM 776 CA ARG A 101 20.896 15.837 39.738 1.00 14.56 C ATOM 777 C ARG A 101 21.363 14.514 40.353 1.00 16.61 C ATOM 778 O ARG A 101 22.183 14.588 41.319 1.00 19.34 O ATOM 779 CB ARG A 101 20.110 16.694 40.695 1.00 13.25 C ATOM 780 CG ARG A 101 19.988 18.144 40.243 1.00 14.45 C ATOM 781 CD ARG A 101 19.690 19.026 41.421 1.00 17.76 C ATOM 782 NE ARG A 101 18.344 18.872 41.967 1.00 17.96 N ATOM 783 CZ ARG A 101 17.215 19.404 41.484 1.00 18.68 C ATOM 784 NH1 ARG A 101 17.094 20.120 40.383 1.00 17.37 N ATOM 785 NH2 ARG A 101 16.106 19.195 42.212 1.00 18.30 N ATOM 0 H ARG A 101 19.336 15.634 38.544 1.00 12.96 H new ATOM 0 HA ARG A 101 21.672 16.382 39.534 1.00 14.56 H new ATOM 0 HB2 ARG A 101 19.222 16.319 40.801 1.00 13.25 H new ATOM 0 HB3 ARG A 101 20.535 16.668 41.567 1.00 13.25 H new ATOM 0 HG2 ARG A 101 20.812 18.428 39.817 1.00 14.45 H new ATOM 0 HG3 ARG A 101 19.283 18.226 39.581 1.00 14.45 H new ATOM 0 HD2 ARG A 101 20.334 18.839 42.122 1.00 17.76 H new ATOM 0 HD3 ARG A 101 19.816 19.951 41.158 1.00 17.76 H new ATOM 0 HE ARG A 101 18.269 18.388 42.674 1.00 17.96 H new ATOM 0 HH11 ARG A 101 17.785 20.284 39.899 1.00 17.37 H new ATOM 0 HH12 ARG A 101 16.324 20.423 40.149 1.00 17.37 H new ATOM 0 HH21 ARG A 101 16.150 18.742 42.942 1.00 18.30 H new ATOM 0 HH22 ARG A 101 15.352 19.514 41.949 1.00 18.30 H new ATOM 786 N ASP A 102 20.940 13.365 39.884 1.00 16.57 N ATOM 787 CA ASP A 102 21.402 12.063 40.427 1.00 17.80 C ATOM 788 C ASP A 102 22.746 11.755 39.722 1.00 17.07 C ATOM 789 O ASP A 102 23.021 12.332 38.660 1.00 16.79 O ATOM 790 CB ASP A 102 20.363 10.995 40.086 1.00 19.47 C ATOM 791 CG ASP A 102 19.356 10.700 41.190 1.00 21.23 C ATOM 792 OD1 ASP A 102 18.724 9.640 41.091 1.00 23.51 O ATOM 793 OD2 ASP A 102 19.210 11.553 42.082 1.00 22.19 O ATOM 0 H ASP A 102 20.375 13.294 39.240 1.00 16.57 H new ATOM 0 HA ASP A 102 21.516 12.082 41.390 1.00 17.80 H new ATOM 0 HB2 ASP A 102 19.880 11.275 39.293 1.00 19.47 H new ATOM 0 HB3 ASP A 102 20.826 10.173 39.861 1.00 19.47 H new ATOM 794 N PRO A 103 23.527 10.850 40.269 1.00 18.47 N ATOM 795 CA PRO A 103 24.861 10.529 39.692 1.00 18.14 C ATOM 796 C PRO A 103 24.895 10.273 38.211 1.00 18.12 C ATOM 797 O PRO A 103 25.794 10.829 37.561 1.00 17.57 O ATOM 798 CB PRO A 103 25.457 9.392 40.551 1.00 18.52 C ATOM 799 CG PRO A 103 24.594 9.367 41.780 1.00 20.30 C ATOM 800 CD PRO A 103 23.304 10.137 41.526 1.00 18.68 C ATOM 0 HA PRO A 103 25.420 11.320 39.739 1.00 18.14 H new ATOM 0 HB2 PRO A 103 25.431 8.543 40.082 1.00 18.52 H new ATOM 0 HB3 PRO A 103 26.385 9.565 40.773 1.00 18.52 H new ATOM 0 HG2 PRO A 103 24.390 8.450 42.023 1.00 20.30 H new ATOM 0 HG3 PRO A 103 25.072 9.759 42.528 1.00 20.30 H new ATOM 0 HD2 PRO A 103 22.545 9.537 41.459 1.00 18.68 H new ATOM 0 HD3 PRO A 103 23.115 10.754 42.250 1.00 18.68 H new ATOM 801 N GLN A 104 23.972 9.524 37.607 1.00 16.87 N ATOM 802 CA GLN A 104 23.989 9.259 36.166 1.00 17.03 C ATOM 803 C GLN A 104 23.871 10.479 35.263 1.00 14.07 C ATOM 804 O GLN A 104 24.250 10.417 34.060 1.00 13.73 O ATOM 805 CB GLN A 104 22.876 8.274 35.772 1.00 20.25 C ATOM 806 CG GLN A 104 23.044 6.867 36.311 1.00 24.97 C ATOM 807 CD GLN A 104 21.993 6.018 35.589 1.00 27.47 C ATOM 808 OE1 GLN A 104 20.841 5.944 36.012 1.00 30.32 O ATOM 809 NE2 GLN A 104 22.439 5.452 34.479 1.00 28.44 N ATOM 0 H GLN A 104 23.316 9.154 38.022 1.00 16.87 H new ATOM 0 HA GLN A 104 24.873 8.887 36.020 1.00 17.03 H new ATOM 0 HB2 GLN A 104 22.027 8.625 36.083 1.00 20.25 H new ATOM 0 HB3 GLN A 104 22.828 8.231 34.804 1.00 20.25 H new ATOM 0 HG2 GLN A 104 23.939 6.533 36.140 1.00 24.97 H new ATOM 0 HG3 GLN A 104 22.911 6.844 37.272 1.00 24.97 H new ATOM 0 HE21 GLN A 104 23.262 5.549 34.247 1.00 28.44 H new ATOM 0 HE22 GLN A 104 21.906 4.987 33.989 1.00 28.44 H new ATOM 810 N GLY A 105 23.330 11.562 35.795 1.00 12.75 N ATOM 811 CA GLY A 105 23.187 12.776 34.952 1.00 11.73 C ATOM 812 C GLY A 105 22.271 12.382 33.777 1.00 12.97 C ATOM 813 O GLY A 105 21.335 11.587 33.934 1.00 11.98 O ATOM 0 H GLY A 105 23.046 11.632 36.604 1.00 12.75 H new ATOM 0 HA2 GLY A 105 22.802 13.507 35.461 1.00 11.73 H new ATOM 0 HA3 GLY A 105 24.051 13.078 34.631 1.00 11.73 H new ATOM 814 N ILE A 106 22.594 12.930 32.639 1.00 13.83 N ATOM 815 CA ILE A 106 21.854 12.687 31.386 1.00 15.04 C ATOM 816 C ILE A 106 21.851 11.248 30.917 1.00 14.29 C ATOM 817 O ILE A 106 21.034 10.855 30.046 1.00 13.41 O ATOM 818 CB ILE A 106 22.524 13.661 30.334 1.00 16.74 C ATOM 819 CG1 ILE A 106 21.701 13.584 29.024 1.00 19.69 C ATOM 820 CG2 ILE A 106 24.006 13.250 30.122 1.00 19.30 C ATOM 821 CD1 ILE A 106 20.360 14.361 29.024 1.00 18.24 C ATOM 0 H ILE A 106 23.259 13.468 32.548 1.00 13.83 H new ATOM 0 HA ILE A 106 20.909 12.862 31.514 1.00 15.04 H new ATOM 0 HB ILE A 106 22.524 14.579 30.647 1.00 16.74 H new ATOM 0 HG12 ILE A 106 22.249 13.919 28.297 1.00 19.69 H new ATOM 0 HG13 ILE A 106 21.515 12.651 28.833 1.00 19.69 H new ATOM 0 HG21 ILE A 106 24.418 13.846 29.477 1.00 19.30 H new ATOM 0 HG22 ILE A 106 24.482 13.308 30.965 1.00 19.30 H new ATOM 0 HG23 ILE A 106 24.045 12.339 29.791 1.00 19.30 H new ATOM 0 HD11 ILE A 106 19.922 14.252 28.165 1.00 18.24 H new ATOM 0 HD12 ILE A 106 19.786 14.016 29.725 1.00 18.24 H new ATOM 0 HD13 ILE A 106 20.531 15.303 29.181 1.00 18.24 H new ATOM 822 N ARG A 107 22.767 10.396 31.440 1.00 12.64 N ATOM 823 CA ARG A 107 22.825 8.988 31.076 1.00 12.97 C ATOM 824 C ARG A 107 21.627 8.197 31.601 1.00 13.78 C ATOM 825 O ARG A 107 21.437 7.044 31.198 1.00 14.39 O ATOM 826 CB ARG A 107 24.121 8.291 31.569 1.00 15.55 C ATOM 827 CG ARG A 107 25.357 8.937 30.909 1.00 17.55 C ATOM 828 CD ARG A 107 26.650 8.539 31.572 1.00 20.43 C ATOM 829 NE ARG A 107 27.775 8.654 30.661 1.00 20.83 N ATOM 830 CZ ARG A 107 28.242 9.723 30.052 1.00 21.19 C ATOM 831 NH1 ARG A 107 29.268 9.581 29.175 1.00 19.39 N ATOM 832 NH2 ARG A 107 27.711 10.934 30.279 1.00 19.98 N ATOM 0 H ARG A 107 23.363 10.634 32.013 1.00 12.64 H new ATOM 0 HA ARG A 107 22.813 8.987 30.106 1.00 12.97 H new ATOM 0 HB2 ARG A 107 24.187 8.362 32.534 1.00 15.55 H new ATOM 0 HB3 ARG A 107 24.089 7.345 31.355 1.00 15.55 H new ATOM 0 HG2 ARG A 107 25.387 8.684 29.973 1.00 17.55 H new ATOM 0 HG3 ARG A 107 25.267 9.902 30.939 1.00 17.55 H new ATOM 0 HD2 ARG A 107 26.803 9.100 32.348 1.00 20.43 H new ATOM 0 HD3 ARG A 107 26.583 7.625 31.891 1.00 20.43 H new ATOM 0 HE ARG A 107 28.194 7.921 30.497 1.00 20.83 H new ATOM 0 HH11 ARG A 107 29.601 8.802 29.026 1.00 19.39 H new ATOM 0 HH12 ARG A 107 29.585 10.270 28.769 1.00 19.39 H new ATOM 0 HH21 ARG A 107 27.056 11.020 30.829 1.00 19.98 H new ATOM 0 HH22 ARG A 107 28.026 11.624 29.874 1.00 19.98 H new ATOM 833 N ALA A 108 20.819 8.811 32.440 1.00 14.19 N ATOM 834 CA ALA A 108 19.607 8.155 32.988 1.00 15.76 C ATOM 835 C ALA A 108 18.711 7.693 31.833 1.00 15.63 C ATOM 836 O ALA A 108 17.976 6.685 31.997 1.00 16.87 O ATOM 837 CB ALA A 108 18.836 9.128 33.870 1.00 14.70 C ATOM 0 H ALA A 108 20.941 9.616 32.718 1.00 14.19 H new ATOM 0 HA ALA A 108 19.875 7.390 33.521 1.00 15.76 H new ATOM 0 HB1 ALA A 108 18.046 8.689 34.223 1.00 14.70 H new ATOM 0 HB2 ALA A 108 19.400 9.416 34.604 1.00 14.70 H new ATOM 0 HB3 ALA A 108 18.570 9.899 33.345 1.00 14.70 H new ATOM 838 N TRP A 109 18.795 8.385 30.710 1.00 14.33 N ATOM 839 CA TRP A 109 17.961 8.005 29.545 1.00 14.06 C ATOM 840 C TRP A 109 18.781 7.177 28.573 1.00 15.00 C ATOM 841 O TRP A 109 19.734 7.716 27.949 1.00 13.86 O ATOM 842 CB TRP A 109 17.383 9.238 28.897 1.00 13.84 C ATOM 843 CG TRP A 109 16.323 10.039 29.582 1.00 14.03 C ATOM 844 CD1 TRP A 109 14.945 9.785 29.511 1.00 13.45 C ATOM 845 CD2 TRP A 109 16.487 11.215 30.357 1.00 12.50 C ATOM 846 NE1 TRP A 109 14.289 10.735 30.221 1.00 13.83 N ATOM 847 CE2 TRP A 109 15.189 11.630 30.769 1.00 15.12 C ATOM 848 CE3 TRP A 109 17.592 11.962 30.753 1.00 12.37 C ATOM 849 CZ2 TRP A 109 14.983 12.780 31.523 1.00 13.29 C ATOM 850 CZ3 TRP A 109 17.423 13.075 31.553 1.00 12.73 C ATOM 851 CH2 TRP A 109 16.119 13.496 31.914 1.00 15.65 C ATOM 0 H TRP A 109 19.310 9.063 30.587 1.00 14.33 H new ATOM 0 HA TRP A 109 17.216 7.458 29.839 1.00 14.06 H new ATOM 0 HB2 TRP A 109 18.123 9.839 28.718 1.00 13.84 H new ATOM 0 HB3 TRP A 109 17.024 8.966 28.038 1.00 13.84 H new ATOM 0 HD1 TRP A 109 14.547 9.081 29.052 1.00 13.45 H new ATOM 0 HE1 TRP A 109 13.435 10.775 30.317 1.00 13.83 H new ATOM 0 HE3 TRP A 109 18.445 11.712 30.479 1.00 12.37 H new ATOM 0 HZ2 TRP A 109 14.128 13.061 31.757 1.00 13.29 H new ATOM 0 HZ3 TRP A 109 18.165 13.548 31.855 1.00 12.73 H new ATOM 0 HH2 TRP A 109 16.016 14.267 32.423 1.00 15.65 H new ATOM 852 N VAL A 110 18.368 5.909 28.374 1.00 14.98 N ATOM 853 CA VAL A 110 19.169 5.085 27.445 1.00 15.83 C ATOM 854 C VAL A 110 19.136 5.639 26.040 1.00 15.18 C ATOM 855 O VAL A 110 20.100 5.392 25.279 1.00 14.43 O ATOM 856 CB VAL A 110 18.779 3.592 27.511 1.00 19.16 C ATOM 857 CG1 VAL A 110 17.353 3.378 27.046 1.00 19.70 C ATOM 858 CG2 VAL A 110 19.752 2.770 26.665 1.00 20.69 C ATOM 0 H VAL A 110 17.684 5.532 28.734 1.00 14.98 H new ATOM 0 HA VAL A 110 20.093 5.133 27.738 1.00 15.83 H new ATOM 0 HB VAL A 110 18.833 3.298 28.434 1.00 19.16 H new ATOM 0 HG11 VAL A 110 17.134 2.434 27.097 1.00 19.70 H new ATOM 0 HG12 VAL A 110 16.748 3.881 27.614 1.00 19.70 H new ATOM 0 HG13 VAL A 110 17.262 3.681 26.129 1.00 19.70 H new ATOM 0 HG21 VAL A 110 19.506 1.833 26.707 1.00 20.69 H new ATOM 0 HG22 VAL A 110 19.715 3.072 25.744 1.00 20.69 H new ATOM 0 HG23 VAL A 110 20.653 2.883 27.006 1.00 20.69 H new ATOM 859 N ALA A 111 18.044 6.331 25.686 1.00 14.10 N ATOM 860 CA ALA A 111 17.958 6.919 24.337 1.00 14.28 C ATOM 861 C ALA A 111 19.079 7.949 24.122 1.00 12.97 C ATOM 862 O ALA A 111 19.609 8.084 22.979 1.00 12.59 O ATOM 863 CB ALA A 111 16.604 7.642 24.138 1.00 16.42 C ATOM 0 H ALA A 111 17.363 6.469 26.192 1.00 14.10 H new ATOM 0 HA ALA A 111 18.044 6.192 23.700 1.00 14.28 H new ATOM 0 HB1 ALA A 111 16.567 8.021 23.246 1.00 16.42 H new ATOM 0 HB2 ALA A 111 15.879 7.008 24.249 1.00 16.42 H new ATOM 0 HB3 ALA A 111 16.516 8.351 24.794 1.00 16.42 H new ATOM 864 N TRP A 112 19.422 8.623 25.219 1.00 12.69 N ATOM 865 CA TRP A 112 20.499 9.658 25.146 1.00 12.11 C ATOM 866 C TRP A 112 21.819 8.967 24.789 1.00 12.03 C ATOM 867 O TRP A 112 22.548 9.375 23.887 1.00 11.03 O ATOM 868 CB TRP A 112 20.537 10.596 26.357 1.00 12.07 C ATOM 869 CG TRP A 112 21.619 11.622 26.179 1.00 13.09 C ATOM 870 CD1 TRP A 112 21.519 12.841 25.584 1.00 14.34 C ATOM 871 CD2 TRP A 112 23.013 11.457 26.525 1.00 14.45 C ATOM 872 NE1 TRP A 112 22.742 13.483 25.562 1.00 13.01 N ATOM 873 CE2 TRP A 112 23.672 12.658 26.138 1.00 13.53 C ATOM 874 CE3 TRP A 112 23.720 10.447 27.164 1.00 13.90 C ATOM 875 CZ2 TRP A 112 25.040 12.862 26.337 1.00 14.24 C ATOM 876 CZ3 TRP A 112 25.099 10.636 27.394 1.00 15.08 C ATOM 877 CH2 TRP A 112 25.707 11.819 26.977 1.00 14.00 C ATOM 0 H TRP A 112 19.068 8.514 25.995 1.00 12.69 H new ATOM 0 HA TRP A 112 20.303 10.284 24.431 1.00 12.11 H new ATOM 0 HB2 TRP A 112 19.679 11.035 26.462 1.00 12.07 H new ATOM 0 HB3 TRP A 112 20.695 10.085 27.166 1.00 12.07 H new ATOM 0 HD1 TRP A 112 20.732 13.195 25.238 1.00 14.34 H new ATOM 0 HE1 TRP A 112 22.894 14.267 25.242 1.00 13.01 H new ATOM 0 HE3 TRP A 112 23.295 9.665 27.434 1.00 13.90 H new ATOM 0 HZ2 TRP A 112 25.474 13.637 26.062 1.00 14.24 H new ATOM 0 HZ3 TRP A 112 25.598 9.977 27.820 1.00 15.08 H new ATOM 0 HH2 TRP A 112 26.618 11.919 27.136 1.00 14.00 H new ATOM 878 N ARG A 113 22.129 7.926 25.518 1.00 12.82 N ATOM 879 CA ARG A 113 23.349 7.132 25.276 1.00 13.44 C ATOM 880 C ARG A 113 23.430 6.576 23.862 1.00 15.37 C ATOM 881 O ARG A 113 24.491 6.634 23.215 1.00 14.68 O ATOM 882 CB ARG A 113 23.343 5.921 26.192 1.00 13.68 C ATOM 883 CG ARG A 113 23.460 6.278 27.665 1.00 15.91 C ATOM 884 CD ARG A 113 23.516 4.944 28.361 1.00 20.13 C ATOM 885 NE ARG A 113 22.866 5.080 29.638 1.00 24.42 N ATOM 886 CZ ARG A 113 22.334 3.997 30.225 1.00 27.97 C ATOM 887 NH1 ARG A 113 22.385 2.787 29.665 1.00 28.22 N ATOM 888 NH2 ARG A 113 21.759 4.245 31.407 1.00 28.95 N ATOM 0 H ARG A 113 21.649 7.643 26.173 1.00 12.82 H new ATOM 0 HA ARG A 113 24.095 7.732 25.432 1.00 13.44 H new ATOM 0 HB2 ARG A 113 22.524 5.421 26.051 1.00 13.68 H new ATOM 0 HB3 ARG A 113 24.077 5.336 25.949 1.00 13.68 H new ATOM 0 HG2 ARG A 113 24.256 6.804 27.841 1.00 15.91 H new ATOM 0 HG3 ARG A 113 22.701 6.803 27.964 1.00 15.91 H new ATOM 0 HD2 ARG A 113 23.076 4.264 27.827 1.00 20.13 H new ATOM 0 HD3 ARG A 113 24.436 4.661 28.478 1.00 20.13 H new ATOM 0 HE ARG A 113 22.819 5.848 30.021 1.00 24.42 H new ATOM 0 HH11 ARG A 113 22.768 2.682 28.902 1.00 28.22 H new ATOM 0 HH12 ARG A 113 22.034 2.112 30.067 1.00 28.22 H new ATOM 0 HH21 ARG A 113 21.755 5.045 31.724 1.00 28.95 H new ATOM 0 HH22 ARG A 113 21.394 3.605 31.850 1.00 28.95 H new ATOM 889 N ASN A 114 22.326 5.999 23.344 1.00 15.37 N ATOM 890 CA ASN A 114 22.388 5.418 21.986 1.00 15.42 C ATOM 891 C ASN A 114 22.366 6.360 20.815 1.00 14.68 C ATOM 892 O ASN A 114 22.932 6.159 19.720 1.00 14.14 O ATOM 893 CB ASN A 114 21.152 4.461 21.802 1.00 17.99 C ATOM 894 CG ASN A 114 21.346 3.298 22.755 1.00 19.81 C ATOM 895 OD1 ASN A 114 22.486 2.887 22.992 1.00 24.78 O ATOM 896 ND2 ASN A 114 20.305 2.767 23.328 1.00 25.05 N ATOM 0 H ASN A 114 21.566 5.935 23.741 1.00 15.37 H new ATOM 0 HA ASN A 114 23.259 4.992 21.963 1.00 15.42 H new ATOM 0 HB2 ASN A 114 20.324 4.928 21.995 1.00 17.99 H new ATOM 0 HB3 ASN A 114 21.094 4.148 20.886 1.00 17.99 H new ATOM 0 HD21 ASN A 114 20.404 2.118 23.883 1.00 25.05 H new ATOM 0 HD22 ASN A 114 19.518 3.066 23.152 1.00 25.05 H new ATOM 897 N ARG A 115 21.574 7.412 21.018 1.00 13.60 N ATOM 898 CA ARG A 115 21.323 8.364 19.947 1.00 13.43 C ATOM 899 C ARG A 115 22.001 9.699 20.048 1.00 12.28 C ATOM 900 O ARG A 115 21.909 10.350 18.991 1.00 13.31 O ATOM 901 CB ARG A 115 19.784 8.646 19.960 1.00 16.26 C ATOM 902 CG ARG A 115 18.892 7.387 20.106 1.00 18.24 C ATOM 903 CD ARG A 115 18.268 7.129 18.793 1.00 21.82 C ATOM 904 NE ARG A 115 17.402 5.946 18.777 1.00 25.32 N ATOM 905 CZ ARG A 115 17.111 5.431 17.551 1.00 24.23 C ATOM 906 NH1 ARG A 115 17.601 5.960 16.441 1.00 24.19 N ATOM 907 NH2 ARG A 115 16.296 4.385 17.594 1.00 25.85 N ATOM 0 H ARG A 115 21.178 7.588 21.761 1.00 13.60 H new ATOM 0 HA ARG A 115 21.679 7.953 19.144 1.00 13.43 H new ATOM 0 HB2 ARG A 115 19.586 9.253 20.690 1.00 16.26 H new ATOM 0 HB3 ARG A 115 19.545 9.102 19.138 1.00 16.26 H new ATOM 0 HG2 ARG A 115 19.422 6.625 20.388 1.00 18.24 H new ATOM 0 HG3 ARG A 115 18.213 7.527 20.785 1.00 18.24 H new ATOM 0 HD2 ARG A 115 17.748 7.905 18.533 1.00 21.82 H new ATOM 0 HD3 ARG A 115 18.965 7.019 18.128 1.00 21.82 H new ATOM 0 HE ARG A 115 17.095 5.597 19.501 1.00 25.32 H new ATOM 0 HH11 ARG A 115 18.117 6.646 16.483 1.00 24.19 H new ATOM 0 HH12 ARG A 115 17.403 5.617 15.678 1.00 24.19 H new ATOM 0 HH21 ARG A 115 16.006 4.097 18.351 1.00 25.85 H new ATOM 0 HH22 ARG A 115 16.058 3.995 16.865 1.00 25.85 H new ATOM 908 N CYS A 116 22.565 10.059 21.171 1.00 10.96 N ATOM 909 CA CYS A 116 23.133 11.412 21.283 1.00 10.53 C ATOM 910 C CYS A 116 24.582 11.457 21.761 1.00 10.76 C ATOM 911 O CYS A 116 25.325 12.361 21.358 1.00 11.59 O ATOM 912 CB CYS A 116 22.307 12.200 22.373 1.00 13.09 C ATOM 913 SG CYS A 116 20.520 12.313 21.941 1.00 11.80 S ATOM 0 H CYS A 116 22.638 9.565 21.871 1.00 10.96 H new ATOM 0 HA CYS A 116 23.095 11.788 20.390 1.00 10.53 H new ATOM 0 HB2 CYS A 116 22.404 11.759 23.232 1.00 13.09 H new ATOM 0 HB3 CYS A 116 22.672 13.093 22.470 1.00 13.09 H new ATOM 914 N GLN A 117 24.890 10.575 22.663 1.00 11.24 N ATOM 915 CA GLN A 117 26.259 10.540 23.262 1.00 14.16 C ATOM 916 C GLN A 117 27.345 10.371 22.203 1.00 13.52 C ATOM 917 O GLN A 117 27.223 9.505 21.350 1.00 11.67 O ATOM 918 CB GLN A 117 26.283 9.471 24.334 1.00 15.35 C ATOM 919 CG GLN A 117 27.716 9.206 24.802 1.00 19.56 C ATOM 920 CD GLN A 117 27.769 8.045 25.734 1.00 22.18 C ATOM 921 OE1 GLN A 117 26.701 7.326 25.965 1.00 27.44 O flip ATOM 922 NE2 GLN A 117 28.812 7.749 26.329 1.00 23.14 N flip ATOM 0 H GLN A 117 24.349 9.977 22.963 1.00 11.24 H new ATOM 0 HA GLN A 117 26.462 11.393 23.678 1.00 14.16 H new ATOM 0 HB2 GLN A 117 25.738 9.749 25.087 1.00 15.35 H new ATOM 0 HB3 GLN A 117 25.894 8.652 23.989 1.00 15.35 H new ATOM 0 HG2 GLN A 117 28.284 9.035 24.034 1.00 19.56 H new ATOM 0 HG3 GLN A 117 28.067 9.995 25.243 1.00 19.56 H new ATOM 0 HE21 GLN A 117 29.528 8.206 26.195 1.00 23.14 H new ATOM 0 HE22 GLN A 117 28.821 7.086 26.877 1.00 23.14 H new ATOM 923 N ASN A 118 28.382 11.217 22.286 1.00 14.90 N ATOM 924 CA ASN A 118 29.522 11.161 21.361 1.00 17.15 C ATOM 925 C ASN A 118 29.144 11.368 19.911 1.00 17.80 C ATOM 926 O ASN A 118 29.779 10.729 19.035 1.00 21.07 O ATOM 927 CB ASN A 118 30.312 9.825 21.496 1.00 19.84 C ATOM 928 CG ASN A 118 30.809 9.653 22.926 1.00 23.35 C ATOM 929 OD1 ASN A 118 30.758 8.553 23.507 1.00 26.87 O ATOM 930 ND2 ASN A 118 31.210 10.755 23.564 1.00 23.90 N ATOM 0 H ASN A 118 28.443 11.837 22.879 1.00 14.90 H new ATOM 0 HA ASN A 118 30.087 11.904 21.625 1.00 17.15 H new ATOM 0 HB2 ASN A 118 29.743 9.078 21.252 1.00 19.84 H new ATOM 0 HB3 ASN A 118 31.063 9.822 20.882 1.00 19.84 H new ATOM 0 HD21 ASN A 118 31.439 10.713 24.392 1.00 23.90 H new ATOM 0 HD22 ASN A 118 31.239 11.507 23.147 1.00 23.90 H new ATOM 931 N ARG A 119 28.128 12.136 19.623 1.00 16.08 N ATOM 932 CA ARG A 119 27.672 12.462 18.286 1.00 16.10 C ATOM 933 C ARG A 119 27.705 13.995 18.136 1.00 14.95 C ATOM 934 O ARG A 119 27.752 14.725 19.131 1.00 15.18 O ATOM 935 CB ARG A 119 26.205 12.073 17.990 1.00 17.00 C ATOM 936 CG ARG A 119 26.032 10.579 18.279 1.00 19.46 C ATOM 937 CD ARG A 119 25.006 9.946 17.458 1.00 22.63 C ATOM 938 NE ARG A 119 24.777 8.544 17.868 1.00 23.05 N ATOM 939 CZ ARG A 119 24.405 7.640 16.954 1.00 23.44 C ATOM 940 NH1 ARG A 119 24.096 6.401 17.283 1.00 23.61 N ATOM 941 NH2 ARG A 119 24.405 8.005 15.676 1.00 24.26 N ATOM 0 H ARG A 119 27.651 12.508 20.234 1.00 16.08 H new ATOM 0 HA ARG A 119 28.253 11.970 17.685 1.00 16.10 H new ATOM 0 HB2 ARG A 119 25.600 12.595 18.540 1.00 17.00 H new ATOM 0 HB3 ARG A 119 25.985 12.265 17.065 1.00 17.00 H new ATOM 0 HG2 ARG A 119 26.878 10.128 18.132 1.00 19.46 H new ATOM 0 HG3 ARG A 119 25.806 10.461 19.215 1.00 19.46 H new ATOM 0 HD2 ARG A 119 24.178 10.445 17.530 1.00 22.63 H new ATOM 0 HD3 ARG A 119 25.273 9.973 16.526 1.00 22.63 H new ATOM 0 HE ARG A 119 24.882 8.311 18.689 1.00 23.05 H new ATOM 0 HH11 ARG A 119 24.130 6.153 18.106 1.00 23.61 H new ATOM 0 HH12 ARG A 119 23.860 5.841 16.675 1.00 23.61 H new ATOM 0 HH21 ARG A 119 24.640 8.803 15.457 1.00 24.26 H new ATOM 0 HH22 ARG A 119 24.170 7.443 15.068 1.00 24.26 H new ATOM 942 N ASP A 120 27.638 14.389 16.883 1.00 14.79 N ATOM 943 CA ASP A 120 27.609 15.811 16.544 1.00 16.14 C ATOM 944 C ASP A 120 26.150 16.267 16.804 1.00 16.93 C ATOM 945 O ASP A 120 25.324 16.030 15.902 1.00 18.19 O ATOM 946 CB ASP A 120 28.046 16.025 15.093 1.00 15.75 C ATOM 947 CG ASP A 120 28.160 17.517 14.827 1.00 18.03 C ATOM 948 OD1 ASP A 120 27.927 18.357 15.720 1.00 18.86 O ATOM 949 OD2 ASP A 120 28.507 17.749 13.649 1.00 18.73 O ATOM 0 H ASP A 120 27.608 13.857 16.208 1.00 14.79 H new ATOM 0 HA ASP A 120 28.227 16.335 17.077 1.00 16.14 H new ATOM 0 HB2 ASP A 120 28.898 15.590 14.932 1.00 15.75 H new ATOM 0 HB3 ASP A 120 27.403 15.624 14.487 1.00 15.75 H new ATOM 950 N VAL A 121 25.874 16.858 17.942 1.00 14.66 N ATOM 951 CA VAL A 121 24.461 17.273 18.188 1.00 14.74 C ATOM 952 C VAL A 121 24.182 18.718 17.823 1.00 15.77 C ATOM 953 O VAL A 121 23.115 19.274 18.165 1.00 12.81 O ATOM 954 CB VAL A 121 24.117 16.959 19.671 1.00 13.40 C ATOM 955 CG1 VAL A 121 24.030 15.468 19.893 1.00 15.62 C ATOM 956 CG2 VAL A 121 25.061 17.632 20.659 1.00 14.65 C ATOM 0 H VAL A 121 26.436 17.032 18.569 1.00 14.66 H new ATOM 0 HA VAL A 121 23.881 16.765 17.599 1.00 14.74 H new ATOM 0 HB VAL A 121 23.244 17.342 19.848 1.00 13.40 H new ATOM 0 HG11 VAL A 121 23.815 15.291 20.822 1.00 15.62 H new ATOM 0 HG12 VAL A 121 23.338 15.096 19.325 1.00 15.62 H new ATOM 0 HG13 VAL A 121 24.882 15.058 19.675 1.00 15.62 H new ATOM 0 HG21 VAL A 121 24.800 17.402 21.564 1.00 14.65 H new ATOM 0 HG22 VAL A 121 25.968 17.329 20.498 1.00 14.65 H new ATOM 0 HG23 VAL A 121 25.017 18.594 20.545 1.00 14.65 H new ATOM 957 N ARG A 122 25.130 19.388 17.157 1.00 16.78 N ATOM 958 CA ARG A 122 24.953 20.803 16.800 1.00 18.31 C ATOM 959 C ARG A 122 23.720 20.996 15.932 1.00 18.71 C ATOM 960 O ARG A 122 23.126 22.089 16.055 1.00 17.82 O ATOM 961 CB ARG A 122 26.184 21.402 16.088 1.00 22.75 C ATOM 962 CG ARG A 122 27.450 21.337 16.948 1.00 25.57 C ATOM 963 CD ARG A 122 28.693 21.681 16.160 1.00 29.16 C ATOM 964 NE ARG A 122 28.994 20.676 15.139 1.00 32.31 N ATOM 965 CZ ARG A 122 30.077 20.705 14.352 1.00 33.88 C ATOM 966 NH1 ARG A 122 30.980 21.681 14.530 1.00 35.22 N ATOM 967 NH2 ARG A 122 30.265 19.826 13.364 1.00 32.21 N ATOM 0 H ARG A 122 25.877 19.045 16.904 1.00 16.78 H new ATOM 0 HA ARG A 122 24.839 21.278 17.638 1.00 18.31 H new ATOM 0 HB2 ARG A 122 26.337 20.926 15.257 1.00 22.75 H new ATOM 0 HB3 ARG A 122 26.002 22.326 15.856 1.00 22.75 H new ATOM 0 HG2 ARG A 122 27.363 21.949 17.696 1.00 25.57 H new ATOM 0 HG3 ARG A 122 27.541 20.446 17.320 1.00 25.57 H new ATOM 0 HD2 ARG A 122 28.577 22.546 15.736 1.00 29.16 H new ATOM 0 HD3 ARG A 122 29.447 21.761 16.766 1.00 29.16 H new ATOM 0 HE ARG A 122 28.440 20.026 15.038 1.00 32.31 H new ATOM 0 HH11 ARG A 122 30.858 22.274 15.141 1.00 35.22 H new ATOM 0 HH12 ARG A 122 31.681 21.714 14.033 1.00 35.22 H new ATOM 0 HH21 ARG A 122 29.679 19.214 13.216 1.00 32.21 H new ATOM 0 HH22 ARG A 122 30.972 19.872 12.876 1.00 32.21 H new ATOM 968 N GLN A 123 23.358 20.015 15.122 1.00 18.11 N ATOM 969 CA GLN A 123 22.219 20.068 14.232 1.00 19.71 C ATOM 970 C GLN A 123 20.938 20.451 14.982 1.00 19.35 C ATOM 971 O GLN A 123 20.137 21.238 14.453 1.00 20.21 O ATOM 972 CB GLN A 123 21.901 18.767 13.465 1.00 23.83 C ATOM 973 CG GLN A 123 21.689 17.610 14.405 1.00 29.07 C ATOM 974 CD GLN A 123 21.161 16.324 13.839 1.00 31.12 C ATOM 975 OE1 GLN A 123 19.945 16.165 13.687 1.00 33.24 O ATOM 976 NE2 GLN A 123 22.091 15.394 13.580 1.00 32.89 N ATOM 0 H GLN A 123 23.788 19.272 15.076 1.00 18.11 H new ATOM 0 HA GLN A 123 22.490 20.738 13.585 1.00 19.71 H new ATOM 0 HB2 GLN A 123 21.106 18.895 12.924 1.00 23.83 H new ATOM 0 HB3 GLN A 123 22.629 18.562 12.857 1.00 23.83 H new ATOM 0 HG2 GLN A 123 22.537 17.418 14.835 1.00 29.07 H new ATOM 0 HG3 GLN A 123 21.078 17.901 15.100 1.00 29.07 H new ATOM 0 HE21 GLN A 123 22.923 15.570 13.708 1.00 32.89 H new ATOM 0 HE22 GLN A 123 21.856 14.621 13.286 1.00 32.89 H new ATOM 977 N TYR A 124 20.790 19.934 16.195 1.00 17.69 N ATOM 978 CA TYR A 124 19.544 20.270 16.911 1.00 16.38 C ATOM 979 C TYR A 124 19.363 21.734 17.201 1.00 16.74 C ATOM 980 O TYR A 124 18.142 22.113 17.316 1.00 17.26 O ATOM 981 CB TYR A 124 19.374 19.386 18.144 1.00 15.45 C ATOM 982 CG TYR A 124 19.439 17.919 17.770 1.00 16.31 C ATOM 983 CD1 TYR A 124 18.316 17.261 17.275 1.00 16.55 C ATOM 984 CD2 TYR A 124 20.627 17.207 17.888 1.00 16.70 C ATOM 985 CE1 TYR A 124 18.398 15.920 16.903 1.00 17.65 C ATOM 986 CE2 TYR A 124 20.707 15.850 17.524 1.00 16.93 C ATOM 987 CZ TYR A 124 19.583 15.223 17.015 1.00 17.07 C ATOM 988 OH TYR A 124 19.657 13.909 16.673 1.00 17.17 O ATOM 0 H TYR A 124 21.347 19.423 16.605 1.00 17.69 H new ATOM 0 HA TYR A 124 18.817 20.072 16.300 1.00 16.38 H new ATOM 0 HB2 TYR A 124 20.067 19.590 18.791 1.00 15.45 H new ATOM 0 HB3 TYR A 124 18.524 19.578 18.570 1.00 15.45 H new ATOM 0 HD1 TYR A 124 17.510 17.717 17.192 1.00 16.55 H new ATOM 0 HD2 TYR A 124 21.385 17.636 18.214 1.00 16.70 H new ATOM 0 HE1 TYR A 124 17.642 15.489 16.574 1.00 17.65 H new ATOM 0 HE2 TYR A 124 21.504 15.381 17.624 1.00 16.93 H new ATOM 0 HH TYR A 124 20.390 13.592 16.934 1.00 17.17 H new ATOM 989 N VAL A 125 20.379 22.541 17.372 1.00 13.88 N ATOM 990 CA VAL A 125 20.228 23.948 17.676 1.00 14.68 C ATOM 991 C VAL A 125 20.628 24.850 16.497 1.00 15.94 C ATOM 992 O VAL A 125 20.486 26.079 16.650 1.00 15.74 O ATOM 993 CB VAL A 125 20.927 24.377 18.988 1.00 15.01 C ATOM 994 CG1 VAL A 125 20.426 23.642 20.238 1.00 13.87 C ATOM 995 CG2 VAL A 125 22.460 24.239 18.877 1.00 16.35 C ATOM 0 H VAL A 125 21.198 22.286 17.314 1.00 13.88 H new ATOM 0 HA VAL A 125 19.278 24.074 17.826 1.00 14.68 H new ATOM 0 HB VAL A 125 20.690 25.310 19.104 1.00 15.01 H new ATOM 0 HG11 VAL A 125 20.908 23.962 21.017 1.00 13.87 H new ATOM 0 HG12 VAL A 125 19.478 23.809 20.354 1.00 13.87 H new ATOM 0 HG13 VAL A 125 20.576 22.689 20.135 1.00 13.87 H new ATOM 0 HG21 VAL A 125 22.871 24.514 19.711 1.00 16.35 H new ATOM 0 HG22 VAL A 125 22.689 23.315 18.693 1.00 16.35 H new ATOM 0 HG23 VAL A 125 22.784 24.802 18.156 1.00 16.35 H new ATOM 996 N GLN A 126 21.085 24.259 15.406 1.00 17.38 N ATOM 997 CA GLN A 126 21.517 25.142 14.288 1.00 20.10 C ATOM 998 C GLN A 126 20.409 26.047 13.789 1.00 18.78 C ATOM 999 O GLN A 126 19.271 25.681 13.506 1.00 18.57 O ATOM 1000 CB GLN A 126 22.291 24.369 13.235 1.00 25.83 C ATOM 1001 CG GLN A 126 21.479 23.731 12.138 1.00 33.23 C ATOM 1002 CD GLN A 126 22.337 22.931 11.165 1.00 36.94 C ATOM 1003 OE1 GLN A 126 22.164 21.731 10.915 1.00 39.64 O ATOM 1004 NE2 GLN A 126 23.300 23.646 10.569 1.00 39.94 N ATOM 0 H GLN A 126 21.158 23.412 15.278 1.00 17.38 H new ATOM 0 HA GLN A 126 22.163 25.779 14.631 1.00 20.10 H new ATOM 0 HB2 GLN A 126 22.933 24.971 12.827 1.00 25.83 H new ATOM 0 HB3 GLN A 126 22.799 23.673 13.681 1.00 25.83 H new ATOM 0 HG2 GLN A 126 20.812 23.147 12.532 1.00 33.23 H new ATOM 0 HG3 GLN A 126 21.001 24.420 11.651 1.00 33.23 H new ATOM 0 HE21 GLN A 126 23.399 24.478 10.761 1.00 39.94 H new ATOM 0 HE22 GLN A 126 23.820 23.273 9.994 1.00 39.94 H new ATOM 1005 N GLY A 127 20.726 27.334 13.731 1.00 18.34 N ATOM 1006 CA GLY A 127 19.917 28.443 13.294 1.00 17.41 C ATOM 1007 C GLY A 127 18.797 28.896 14.175 1.00 17.44 C ATOM 1008 O GLY A 127 17.975 29.714 13.670 1.00 18.24 O ATOM 0 H GLY A 127 21.507 27.599 13.975 1.00 18.34 H new ATOM 0 HA2 GLY A 127 20.506 29.200 13.152 1.00 17.41 H new ATOM 0 HA3 GLY A 127 19.539 28.211 12.431 1.00 17.41 H new ATOM 1009 N CYS A 128 18.744 28.462 15.419 1.00 15.31 N ATOM 1010 CA CYS A 128 17.659 28.837 16.333 1.00 15.86 C ATOM 1011 C CYS A 128 17.871 30.123 17.099 1.00 16.27 C ATOM 1012 O CYS A 128 16.915 30.590 17.787 1.00 16.45 O ATOM 1013 CB CYS A 128 17.337 27.679 17.297 1.00 13.10 C ATOM 1014 SG CYS A 128 16.992 26.134 16.488 1.00 13.39 S ATOM 0 H CYS A 128 19.332 27.940 15.767 1.00 15.31 H new ATOM 0 HA CYS A 128 16.900 29.014 15.756 1.00 15.86 H new ATOM 0 HB2 CYS A 128 18.086 27.556 17.901 1.00 13.10 H new ATOM 0 HB3 CYS A 128 16.572 27.926 17.840 1.00 13.10 H new ATOM 1015 N GLY A 129 19.052 30.694 16.963 1.00 16.86 N ATOM 1016 CA GLY A 129 19.377 31.955 17.655 1.00 18.22 C ATOM 1017 C GLY A 129 19.605 31.734 19.130 1.00 19.77 C ATOM 1018 O GLY A 129 19.379 32.702 19.894 1.00 21.88 O ATOM 0 H GLY A 129 19.688 30.378 16.478 1.00 16.86 H new ATOM 0 HA2 GLY A 129 20.171 32.347 17.259 1.00 18.22 H new ATOM 0 HA3 GLY A 129 18.654 32.590 17.530 1.00 18.22 H new ATOM 1019 N VAL A 130 20.029 30.569 19.573 1.00 19.87 N ATOM 1020 CA VAL A 130 20.273 30.310 21.002 1.00 21.57 C ATOM 1021 C VAL A 130 21.786 30.287 21.308 1.00 24.47 C ATOM 1022 O VAL A 130 22.509 29.964 20.338 1.00 24.68 O ATOM 1023 CB VAL A 130 19.600 29.005 21.460 1.00 20.80 C ATOM 1024 CG1 VAL A 130 18.075 29.110 21.405 1.00 18.55 C ATOM 1025 CG2 VAL A 130 20.100 27.806 20.650 1.00 19.63 C ATOM 1026 OXT VAL A 130 22.069 30.540 22.506 1.00 27.46 O ATOM 0 H VAL A 130 20.188 29.895 19.063 1.00 19.87 H new ATOM 0 HA VAL A 130 19.874 31.038 21.504 1.00 21.57 H new ATOM 0 HB VAL A 130 19.850 28.861 22.386 1.00 20.80 H new ATOM 0 HG11 VAL A 130 17.682 28.273 21.699 1.00 18.55 H new ATOM 0 HG12 VAL A 130 17.779 29.828 21.986 1.00 18.55 H new ATOM 0 HG13 VAL A 130 17.796 29.296 20.495 1.00 18.55 H new ATOM 0 HG21 VAL A 130 19.659 26.999 20.960 1.00 19.63 H new ATOM 0 HG22 VAL A 130 19.899 27.943 19.711 1.00 19.63 H new ATOM 0 HG23 VAL A 130 21.059 27.715 20.765 1.00 19.63 H new TER 1027 VAL A 130 HETATM 1028 O HOH A 131 4.484 18.152 13.180 1.00 39.74 O HETATM 1029 O HOH A 132 12.552 18.744 13.482 1.00 34.42 O HETATM 1030 O HOH A 133 12.222 25.172 13.780 1.00 13.91 O HETATM 1031 O HOH A 134 17.837 13.922 13.966 1.00 48.61 O HETATM 1032 O HOH A 135 10.643 20.736 14.095 1.00 16.68 O HETATM 1033 O HOH A 136 27.381 12.118 14.631 1.00 17.40 O HETATM 1034 O HOH A 137 15.032 17.920 14.838 1.00 15.57 O HETATM 1035 O HOH A 138 10.897 29.379 15.119 1.00 26.43 O HETATM 1036 O HOH A 139 8.399 19.264 15.229 1.00 17.17 O HETATM 1037 O HOH A 140 28.973 9.365 15.355 1.00 16.19 O HETATM 1038 O HOH A 141 8.231 16.674 15.402 1.00 39.53 O HETATM 1039 O HOH A 142 4.408 21.557 15.321 1.00 29.94 O HETATM 1040 O HOH A 143 10.457 26.872 15.628 1.00 31.97 O HETATM 1041 O HOH A 144 10.961 12.424 16.427 1.00 65.72 O HETATM 1042 O HOH A 145 21.788 12.525 17.112 1.00 31.46 O HETATM 1043 O HOH A 146 6.069 14.006 17.345 1.00 30.39 O HETATM 1044 O HOH A 147 21.384 28.567 17.572 1.00 24.86 O HETATM 1045 O HOH A 148 19.995 27.046 35.086 1.00 43.75 O HETATM 1046 O HOH A 149 9.059 31.004 18.680 1.00 32.46 O HETATM 1047 O HOH A 150 28.480 18.404 19.008 1.00 30.40 O HETATM 1048 O HOH A 151 5.016 11.787 19.554 1.00 31.79 O HETATM 1049 O HOH A 152 14.101 6.451 19.785 1.00 47.20 O HETATM 1050 O HOH A 153 25.220 7.618 20.469 1.00 23.76 O HETATM 1051 O HOH A 154 4.739 8.979 21.249 1.00 38.37 O HETATM 1052 O HOH A 155 17.238 4.191 21.388 1.00 27.86 O HETATM 1053 O HOH A 156 0.693 17.265 21.412 1.00 14.68 O HETATM 1054 O HOH A 157 -2.298 22.324 22.181 1.00 26.93 O HETATM 1055 O HOH A 158 26.736 21.309 22.392 1.00 16.85 O HETATM 1056 O HOH A 159 -1.905 20.059 22.985 1.00 55.88 O HETATM 1057 O HOH A 160 10.311 6.808 22.755 1.00 48.31 O HETATM 1058 O HOH A 161 24.258 23.647 22.748 1.00 12.16 O HETATM 1059 O HOH A 162 26.934 5.578 22.979 1.00 33.33 O HETATM 1060 O HOH A 163 1.885 8.952 23.196 1.00 43.66 O HETATM 1061 O HOH A 164 26.427 14.440 23.179 1.00 22.40 O HETATM 1062 O HOH A 165 4.935 5.049 23.394 1.00 41.13 O HETATM 1063 O HOH A 166 6.282 7.608 23.960 1.00 47.37 O HETATM 1064 O HOH A 167 15.531 32.011 24.574 1.00 26.66 O HETATM 1065 O HOH A 168 -2.662 25.136 25.433 1.00 35.27 O HETATM 1066 O HOH A 169 1.412 3.138 25.379 1.00 24.15 O HETATM 1067 O HOH A 170 4.304 25.565 25.628 1.00 25.20 O HETATM 1068 O HOH A 171 9.436 6.133 25.721 1.00 36.80 O HETATM 1069 O HOH A 172 1.959 26.491 25.939 1.00 38.94 O HETATM 1070 O HOH A 173 0.050 18.660 26.134 1.00 19.66 O HETATM 1071 O HOH A 174 5.838 -2.457 26.280 1.00 39.78 O HETATM 1072 O HOH A 175 11.869 6.434 26.660 1.00 48.06 O HETATM 1073 O HOH A 176 15.188 6.286 26.936 1.00 14.60 O HETATM 1074 O HOH A 177 27.047 18.633 27.521 1.00 13.33 O HETATM 1075 O HOH A 178 6.365 26.111 27.654 1.00 18.07 O HETATM 1076 O HOH A 179 -2.242 16.277 27.794 1.00 34.34 O HETATM 1077 O HOH A 180 -3.045 24.698 28.217 1.00 49.32 O HETATM 1078 O HOH A 181 -0.605 4.889 28.313 1.00 37.85 O HETATM 1079 O HOH A 182 10.321 29.688 28.357 1.00 33.62 O HETATM 1080 O HOH A 183 7.786 28.595 28.548 1.00 33.02 O HETATM 1081 O HOH A 184 6.214 17.004 28.827 1.00 14.65 O HETATM 1082 O HOH A 185 12.237 7.155 28.976 1.00 24.68 O HETATM 1083 O HOH A 186 8.425 -3.372 29.423 1.00 41.67 O HETATM 1084 O HOH A 187 19.659 28.170 29.568 1.00 15.21 O HETATM 1085 O HOH A 188 -0.915 23.560 29.566 1.00 12.13 O HETATM 1086 O HOH A 189 4.808 19.277 29.614 1.00 13.49 O HETATM 1087 O HOH A 190 15.694 5.109 29.721 1.00 24.85 O HETATM 1088 O HOH A 191 8.430 14.863 30.202 1.00 10.15 O HETATM 1089 O HOH A 192 1.187 -7.354 30.496 1.00 35.79 O HETATM 1090 O HOH A 193 -0.329 4.308 30.977 1.00 23.52 O HETATM 1091 O HOH A 194 11.489 3.968 31.078 1.00 37.87 O HETATM 1092 O HOH A 195 5.002 32.077 31.477 1.00 31.82 O HETATM 1093 O HOH A 196 -2.210 17.219 31.845 1.00 16.70 O HETATM 1094 O HOH A 197 6.772 29.459 32.062 1.00 23.42 O HETATM 1095 O HOH A 198 10.453 0.783 32.260 1.00 42.04 O HETATM 1096 O HOH A 199 -1.448 23.661 32.110 1.00 31.94 O HETATM 1097 O HOH A 200 5.065 20.336 32.284 1.00 10.01 O HETATM 1098 O HOH A 201 -1.176 6.575 32.495 1.00 22.08 O HETATM 1099 O HOH A 202 1.500 -4.790 32.660 1.00 42.47 O HETATM 1100 O HOH A 203 15.415 8.646 32.802 1.00 28.32 O HETATM 1101 O HOH A 204 -0.108 25.420 33.136 1.00 56.90 O HETATM 1102 O HOH A 205 12.558 8.525 33.011 1.00 21.41 O HETATM 1103 O HOH A 206 18.075 4.247 32.763 1.00 55.42 O HETATM 1104 O HOH A 207 4.411 23.230 33.596 1.00 16.97 O HETATM 1105 O HOH A 208 4.942 28.049 34.470 1.00 34.80 O HETATM 1106 O HOH A 209 24.582 15.927 34.914 1.00 23.43 O HETATM 1107 O HOH A 210 1.932 3.431 34.919 1.00 15.58 O HETATM 1108 O HOH A 211 9.074 -8.168 35.223 1.00 54.10 O HETATM 1109 O HOH A 212 -2.028 18.529 35.090 1.00 20.49 O HETATM 1110 O HOH A 213 10.577 25.074 35.218 1.00 21.06 O HETATM 1111 O HOH A 214 10.776 1.730 35.386 1.00 26.92 O HETATM 1112 O HOH A 215 0.854 0.808 36.120 1.00 47.37 O HETATM 1113 O HOH A 216 20.330 10.641 36.424 1.00 21.72 O HETATM 1114 O HOH A 217 13.356 24.886 36.554 1.00 21.23 O HETATM 1115 O HOH A 218 23.809 23.926 36.997 1.00 26.69 O HETATM 1116 O HOH A 219 17.710 26.185 37.079 1.00 41.17 O HETATM 1117 O HOH A 220 19.064 8.612 37.192 1.00 43.18 O HETATM 1118 O HOH A 221 -1.307 -1.875 37.010 1.00 50.98 O HETATM 1119 O HOH A 222 26.133 22.511 37.829 1.00 48.06 O HETATM 1120 O HOH A 223 24.699 14.928 37.919 1.00 21.49 O HETATM 1121 O HOH A 224 21.925 8.033 38.934 1.00 28.94 O HETATM 1122 O HOH A 225 13.585 24.369 39.102 1.00 43.76 O HETATM 1123 O HOH A 226 25.216 1.814 28.002 1.00 38.20 O HETATM 1124 O HOH A 227 14.457 20.756 39.690 1.00 22.29 O HETATM 1125 O HOH A 228 16.489 6.483 39.798 1.00 48.04 O HETATM 1126 O HOH A 229 9.094 18.752 39.870 1.00 54.37 O HETATM 1127 O HOH A 230 3.715 6.145 40.126 1.00 16.32 O HETATM 1128 O HOH A 231 -2.961 -1.042 40.247 1.00 61.03 O HETATM 1129 O HOH A 232 1.234 18.011 40.250 1.00 5.00 O HETATM 1130 O HOH A 233 19.039 23.271 40.695 1.00 62.62 O HETATM 1131 O HOH A 234 6.081 7.287 40.959 1.00 19.20 O HETATM 1132 O HOH A 235 2.895 20.664 41.874 1.00 36.97 O HETATM 1133 O HOH A 236 2.428 4.491 41.831 1.00 17.28 O HETATM 1134 O HOH A 237 6.636 19.943 41.961 1.00 42.89 O HETATM 1135 O HOH A 238 11.342 0.232 41.859 1.00 59.49 O HETATM 1136 O HOH A 239 0.195 13.009 42.733 1.00 5.00 O HETATM 1137 O HOH A 240 4.869 7.365 42.994 1.00 23.07 O HETATM 1138 O HOH A 241 0.400 17.334 43.209 1.00 22.02 O HETATM 1139 O HOH A 242 -3.667 4.529 43.263 1.00 32.05 O HETATM 1140 O HOH A 243 0.523 1.451 43.137 1.00 64.79 O HETATM 1141 O HOH A 244 10.932 3.339 43.630 1.00 51.46 O HETATM 1142 O HOH A 245 2.582 14.961 43.712 1.00 28.91 O HETATM 1143 O HOH A 246 17.991 16.518 43.641 1.00 39.69 O HETATM 1144 O HOH A 247 13.507 14.315 45.580 1.00 32.15 O HETATM 1145 O HOH A 248 -5.334 4.230 46.006 1.00 47.55 O HETATM 1146 O HOH A 249 4.619 8.008 45.689 1.00 35.72 O HETATM 1147 O HOH A 250 0.015 14.574 45.877 1.00 40.52 O HETATM 1148 O HOH A 251 3.374 10.975 46.130 1.00 44.78 O HETATM 1149 O HOH A 252 14.004 11.401 46.195 1.00 46.42 O HETATM 1150 O HOH A 253 15.537 3.111 15.221 1.00 43.93 O CONECT 53 1014 CONECT 243 913 CONECT 534 639 CONECT 609 735 CONECT 639 534 CONECT 735 609 CONECT 913 243 CONECT 1014 53 END