USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE(O-GLYCOSYL) 27-MAR-92 1LHH 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 1LHH 1 VERSN REVDAT 1 31-JAN-94 1LHH 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 KINETIC PHASE DOES NOT RESULT FROM PROLINE REMARK 1 TITL 4 CIS-TRANS ISOMERIZATION REMARK 1 REF BIOCHEMISTRY V. 30 9882 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PROLSQ REMARK 3 AUTHORS : KONNERT,HENDRICKSON REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 5.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 10232 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) : 0.160 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 : 1029 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 101 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) : 0.016 ; 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 1LHH 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 (%): 38.07 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.99 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 28.41000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.92500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.40500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.92500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.41000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.40500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 168 O HOH A 183 2565 1.08 REMARK 500 NH1 ARG A 21 O HOH A 202 4557 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. = -4.2 DEGREES REMARK 500 ARG A 21 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES REMARK 500 ARG A 41 CB - CG - CD ANGL. DEV. = 17.0 DEGREES REMARK 500 ARG A 41 CD - NE - CZ ANGL. DEV. = 14.9 DEGREES REMARK 500 ARG A 41 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 ASP A 49 CB - CG - OD2 ANGL. DEV. = -5.9 DEGREES REMARK 500 ARG A 50 CD - NE - CZ ANGL. DEV. = 42.3 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 9.5 DEGREES REMARK 500 ASP A 87 CB - CG - OD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 ARG A 98 NE - CZ - NH2 ANGL. DEV. = 3.5 DEGREES REMARK 500 ARG A 101 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG A 113 CD - NE - CZ ANGL. DEV. = 10.3 DEGREES REMARK 500 ARG A 113 NE - CZ - NH1 ANGL. DEV. = 5.2 DEGREES REMARK 500 ARG A 115 CG - CD - NE ANGL. DEV. = 17.0 DEGREES REMARK 500 ARG A 115 CD - NE - CZ ANGL. DEV. = 26.4 DEGREES REMARK 500 ARG A 115 NE - CZ - NH1 ANGL. DEV. = -3.4 DEGREES REMARK 500 ARG A 115 NE - CZ - NH2 ANGL. DEV. = 9.8 DEGREES REMARK 500 ASP A 120 CB - CG - OD2 ANGL. DEV. = -5.8 DEGREES REMARK 500 ARG A 122 CD - NE - CZ ANGL. DEV. = 12.5 DEGREES REMARK 500 ARG A 122 NE - CZ - NH2 ANGL. DEV. = 5.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL DBREF 1LHH A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1LHH PRO A 110 UNP P61626 VAL 128 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 PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU GLN ASP ASN ILE ALA ASP SEQRES 8 A 130 ALA VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP PRO 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 *101(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 PRO 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 2.01 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.05 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.00 SSBOND *** CYS A 77 CYS A 95 1555 1555 2.02 CRYST1 56.820 60.810 33.850 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 0.017599 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016445 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029542 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 123:sc= 1.47 USER MOD Set 1.2: A 70 THR OG1 : rot 82:sc= 3.04 USER MOD Set 2.1: A 44 ASN : amide:sc= -1.46! C(o=0.8!,f=3.2!) USER MOD Set 2.2: A 46 ASN : amide:sc= -1.9! C(o=0.8!,f=3.2!) USER MOD Set 2.3: A 51 SER OG : rot -77:sc= 1.6 USER MOD Set 2.4: A 60 ASN : amide:sc= 2.55 K(o=0.8,f=-2!) USER MOD Set 3.1: A 24 SER OG : rot 180:sc= 0.316 USER MOD Set 3.2: A 27 ASN : amide:sc= 1.78 K(o=2.1,f=-1.9!) USER MOD Set 4.1: A 1 LYS N :NH3+ 178:sc= 2.75 (180deg=1.53) USER MOD Set 4.2: A 40 THR OG1 : rot 103:sc= 1.92 USER MOD Single : A 1 LYS NZ :NH3+ -152:sc= 1.9 (180deg=1.32) USER MOD Single : A 11 THR OG1 : rot 80:sc= 0.759 USER MOD Single : A 13 LYS NZ :NH3+ 158:sc= -0.185 (180deg=-0.402) USER MOD Single : A 17 MET CE :methyl 163:sc= -0.439 (180deg=-1.49) USER MOD Single : A 20 TYR OH : rot -13:sc= 1.65 USER MOD Single : A 29 MET CE :methyl -168:sc= -0.0901 (180deg=-0.315) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 0.786 (180deg=0.649) USER MOD Single : A 36 SER OG : rot -111:sc= 0.993 USER MOD Single : A 38 TYR OH : rot 180:sc= 1.15 USER MOD Single : A 39 ASN : amide:sc= 1.46 K(o=1.5,f=-2.4) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0.319 USER MOD Single : A 52 THR OG1 : rot 97:sc= 2.39 USER MOD Single : A 54 TYR OH : rot -170:sc= 2.23 USER MOD Single : A 58 GLN : amide:sc= 1.38 X(o=1.4,f=1.1) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.34 K(o=1.3,f=-0.69) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 0.649 (180deg=0.578) USER MOD Single : A 75 ASN : amide:sc= 0.405 K(o=0.41,f=-4.1!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0239 X(o=-0.024,f=0) USER MOD Single : A 80 SER OG : rot 75:sc= 0.328 USER MOD Single : A 82 SER OG : rot -98:sc= 0.447 USER MOD Single : A 86 GLN : amide:sc= 1.92 K(o=1.9,f=0.68) USER MOD Single : A 88 ASN : amide:sc= 1.36 K(o=1.4,f=-4.9!) USER MOD Single : A 97 LYS NZ :NH3+ -161:sc= 2.42 (180deg=1.9) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 114 ASN : amide:sc= -0.431! C(o=-0.43!,f=-7.3!) USER MOD Single : A 117 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.1!) USER MOD Single : A 118 ASN : amide:sc= -1.5 K(o=-1.5,f=-2!) USER MOD Single : A 123 GLN : amide:sc= 0.269 X(o=0.27,f=0.52) USER MOD Single : A 124 TYR OH : rot 44:sc= 1.7 USER MOD Single : A 126 GLN : amide:sc= -0.348 K(o=-0.35,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.883 19.507 23.068 1.00 10.04 N ATOM 2 CA LYS A 1 1.494 20.383 22.043 1.00 10.73 C ATOM 3 C LYS A 1 2.706 19.724 21.395 1.00 9.79 C ATOM 4 O LYS A 1 3.468 19.041 22.086 1.00 9.36 O ATOM 5 CB LYS A 1 1.904 21.718 22.657 1.00 11.44 C ATOM 6 CG LYS A 1 3.059 22.494 22.069 1.00 14.70 C ATOM 7 CD LYS A 1 3.316 23.825 22.771 1.00 14.69 C ATOM 8 CE LYS A 1 3.983 24.829 21.840 1.00 16.62 C ATOM 9 NZ LYS A 1 4.677 25.814 22.728 1.00 20.81 N ATOM 0 H1 LYS A 1 0.197 19.928 23.448 1.00 10.04 H new ATOM 0 H2 LYS A 1 0.594 18.758 22.684 1.00 10.04 H new ATOM 0 H3 LYS A 1 1.489 19.308 23.688 1.00 10.04 H new ATOM 0 HA LYS A 1 0.826 20.536 21.356 1.00 10.73 H new ATOM 0 HB2 LYS A 1 1.126 22.297 22.635 1.00 11.44 H new ATOM 0 HB3 LYS A 1 2.111 21.555 23.591 1.00 11.44 H new ATOM 0 HG2 LYS A 1 3.862 21.951 22.116 1.00 14.70 H new ATOM 0 HG3 LYS A 1 2.883 22.660 21.130 1.00 14.70 H new ATOM 0 HD2 LYS A 1 2.477 24.189 23.093 1.00 14.69 H new ATOM 0 HD3 LYS A 1 3.879 23.679 23.548 1.00 14.69 H new ATOM 0 HE2 LYS A 1 4.614 24.389 21.249 1.00 16.62 H new ATOM 0 HE3 LYS A 1 3.327 25.270 21.277 1.00 16.62 H new ATOM 0 HZ1 LYS A 1 4.729 26.601 22.315 1.00 20.81 H new ATOM 0 HZ2 LYS A 1 4.218 25.906 23.485 1.00 20.81 H new ATOM 0 HZ3 LYS A 1 5.497 25.521 22.913 1.00 20.81 H new ATOM 10 N VAL A 2 2.838 19.969 20.105 1.00 9.21 N ATOM 11 CA VAL A 2 3.988 19.443 19.351 1.00 8.65 C ATOM 12 C VAL A 2 4.820 20.709 19.019 1.00 9.50 C ATOM 13 O VAL A 2 4.365 21.513 18.174 1.00 8.49 O ATOM 14 CB VAL A 2 3.634 18.675 18.062 1.00 8.45 C ATOM 15 CG1 VAL A 2 4.883 18.264 17.316 1.00 6.49 C ATOM 16 CG2 VAL A 2 2.690 17.516 18.316 1.00 8.11 C ATOM 0 H VAL A 2 2.283 20.433 19.640 1.00 9.21 H new ATOM 0 HA VAL A 2 4.455 18.778 19.881 1.00 8.65 H new ATOM 0 HB VAL A 2 3.145 19.283 17.486 1.00 8.45 H new ATOM 0 HG11 VAL A 2 4.636 17.783 16.511 1.00 6.49 H new ATOM 0 HG12 VAL A 2 5.392 19.054 17.077 1.00 6.49 H new ATOM 0 HG13 VAL A 2 5.424 17.690 17.881 1.00 6.49 H new ATOM 0 HG21 VAL A 2 2.498 17.066 17.479 1.00 8.11 H new ATOM 0 HG22 VAL A 2 3.103 16.891 18.931 1.00 8.11 H new ATOM 0 HG23 VAL A 2 1.864 17.849 18.701 1.00 8.11 H new ATOM 17 N PHE A 3 5.943 20.813 19.679 1.00 9.39 N ATOM 18 CA PHE A 3 6.803 21.988 19.393 1.00 9.75 C ATOM 19 C PHE A 3 7.557 21.838 18.079 1.00 8.69 C ATOM 20 O PHE A 3 7.878 20.753 17.601 1.00 8.63 O ATOM 21 CB PHE A 3 7.857 22.104 20.499 1.00 11.15 C ATOM 22 CG PHE A 3 7.485 22.690 21.809 1.00 11.33 C ATOM 23 CD1 PHE A 3 7.893 24.019 22.076 1.00 11.60 C ATOM 24 CD2 PHE A 3 6.693 22.011 22.717 1.00 11.13 C ATOM 25 CE1 PHE A 3 7.576 24.592 23.288 1.00 12.39 C ATOM 26 CE2 PHE A 3 6.355 22.594 23.949 1.00 14.36 C ATOM 27 CZ PHE A 3 6.799 23.908 24.213 1.00 12.85 C ATOM 0 H PHE A 3 6.236 20.261 20.270 1.00 9.39 H new ATOM 0 HA PHE A 3 6.226 22.766 19.344 1.00 9.75 H new ATOM 0 HB2 PHE A 3 8.200 21.212 20.667 1.00 11.15 H new ATOM 0 HB3 PHE A 3 8.592 22.629 20.145 1.00 11.15 H new ATOM 0 HD1 PHE A 3 8.370 24.501 21.439 1.00 11.60 H new ATOM 0 HD2 PHE A 3 6.381 21.160 22.510 1.00 11.13 H new ATOM 0 HE1 PHE A 3 7.886 25.446 23.489 1.00 12.39 H new ATOM 0 HE2 PHE A 3 5.851 22.126 24.575 1.00 14.36 H new ATOM 0 HZ PHE A 3 6.569 24.319 25.015 1.00 12.85 H new ATOM 28 N GLU A 4 7.909 23.013 17.548 1.00 8.85 N ATOM 29 CA GLU A 4 8.758 23.131 16.365 1.00 9.29 C ATOM 30 C GLU A 4 10.173 23.106 16.940 1.00 8.35 C ATOM 31 O GLU A 4 10.325 23.497 18.122 1.00 8.67 O ATOM 32 CB GLU A 4 8.505 24.421 15.606 1.00 12.37 C ATOM 33 CG GLU A 4 7.040 24.753 15.436 1.00 20.82 C ATOM 34 CD GLU A 4 6.469 24.794 14.066 1.00 25.51 C ATOM 35 OE1 GLU A 4 6.987 25.392 13.139 1.00 27.97 O ATOM 36 OE2 GLU A 4 5.368 24.176 13.988 1.00 30.27 O ATOM 0 H GLU A 4 7.657 23.770 17.870 1.00 8.85 H new ATOM 0 HA GLU A 4 8.591 22.425 15.721 1.00 9.29 H new ATOM 0 HB2 GLU A 4 8.941 25.151 16.072 1.00 12.37 H new ATOM 0 HB3 GLU A 4 8.917 24.357 14.730 1.00 12.37 H new ATOM 0 HG2 GLU A 4 6.531 24.104 15.947 1.00 20.82 H new ATOM 0 HG3 GLU A 4 6.886 25.619 15.844 1.00 20.82 H new ATOM 37 N ARG A 5 11.147 22.697 16.191 1.00 7.84 N ATOM 38 CA ARG A 5 12.517 22.591 16.731 1.00 7.72 C ATOM 39 C ARG A 5 13.026 23.887 17.347 1.00 7.94 C ATOM 40 O ARG A 5 13.401 23.869 18.532 1.00 5.76 O ATOM 41 CB ARG A 5 13.507 22.016 15.728 1.00 7.55 C ATOM 42 CG ARG A 5 14.965 21.880 16.215 1.00 9.67 C ATOM 43 CD ARG A 5 15.831 21.366 15.126 1.00 10.99 C ATOM 44 NE ARG A 5 15.814 22.188 13.913 1.00 12.37 N ATOM 45 CZ ARG A 5 16.744 23.113 13.737 1.00 12.71 C ATOM 46 NH1 ARG A 5 16.723 23.848 12.625 1.00 14.52 N ATOM 47 NH2 ARG A 5 17.665 23.273 14.692 1.00 13.96 N ATOM 0 H ARG A 5 11.064 22.470 15.366 1.00 7.84 H new ATOM 0 HA ARG A 5 12.450 21.952 17.458 1.00 7.72 H new ATOM 0 HB2 ARG A 5 13.193 21.139 15.457 1.00 7.55 H new ATOM 0 HB3 ARG A 5 13.500 22.577 14.937 1.00 7.55 H new ATOM 0 HG2 ARG A 5 15.293 22.742 16.517 1.00 9.67 H new ATOM 0 HG3 ARG A 5 15.003 21.280 16.976 1.00 9.67 H new ATOM 0 HD2 ARG A 5 16.743 21.305 15.452 1.00 10.99 H new ATOM 0 HD3 ARG A 5 15.550 20.466 14.899 1.00 10.99 H new ATOM 0 HE ARG A 5 15.203 22.070 13.319 1.00 12.37 H new ATOM 0 HH11 ARG A 5 16.111 23.718 12.035 1.00 14.52 H new ATOM 0 HH12 ARG A 5 17.321 24.453 12.498 1.00 14.52 H new ATOM 0 HH21 ARG A 5 17.643 22.782 15.397 1.00 13.96 H new ATOM 0 HH22 ARG A 5 18.280 23.867 14.601 1.00 13.96 H new ATOM 48 N CYS A 6 13.108 24.960 16.551 1.00 8.61 N ATOM 49 CA CYS A 6 13.657 26.221 17.167 1.00 8.33 C ATOM 50 C CYS A 6 12.817 26.802 18.265 1.00 9.28 C ATOM 51 O CYS A 6 13.397 27.382 19.205 1.00 9.21 O ATOM 52 CB CYS A 6 14.058 27.149 16.032 1.00 9.09 C ATOM 53 SG CYS A 6 15.441 26.450 15.071 1.00 9.54 S ATOM 0 H CYS A 6 12.879 25.001 15.723 1.00 8.61 H new ATOM 0 HA CYS A 6 14.457 26.026 17.680 1.00 8.33 H new ATOM 0 HB2 CYS A 6 13.298 27.299 15.448 1.00 9.09 H new ATOM 0 HB3 CYS A 6 14.314 28.013 16.391 1.00 9.09 H new ATOM 54 N GLU A 7 11.499 26.699 18.183 1.00 9.19 N ATOM 55 CA GLU A 7 10.620 27.179 19.251 1.00 9.37 C ATOM 56 C GLU A 7 10.981 26.507 20.565 1.00 8.00 C ATOM 57 O GLU A 7 11.097 27.190 21.621 1.00 7.18 O ATOM 58 CB GLU A 7 9.179 26.848 18.924 1.00 12.36 C ATOM 59 CG GLU A 7 8.080 27.154 19.924 1.00 16.71 C ATOM 60 CD GLU A 7 6.738 26.556 19.607 1.00 18.27 C ATOM 61 OE1 GLU A 7 6.497 25.681 18.773 1.00 19.10 O ATOM 62 OE2 GLU A 7 5.894 27.059 20.379 1.00 19.64 O ATOM 0 H GLU A 7 11.086 26.352 17.513 1.00 9.19 H new ATOM 0 HA GLU A 7 10.730 28.140 19.329 1.00 9.37 H new ATOM 0 HB2 GLU A 7 8.957 27.312 18.102 1.00 12.36 H new ATOM 0 HB3 GLU A 7 9.138 25.898 18.734 1.00 12.36 H new ATOM 0 HG2 GLU A 7 8.360 26.838 20.797 1.00 16.71 H new ATOM 0 HG3 GLU A 7 7.981 28.117 19.989 1.00 16.71 H new ATOM 63 N LEU A 8 11.217 25.161 20.530 1.00 7.09 N ATOM 64 CA LEU A 8 11.587 24.522 21.818 1.00 5.93 C ATOM 65 C LEU A 8 12.976 24.954 22.285 1.00 5.02 C ATOM 66 O LEU A 8 13.169 25.094 23.485 1.00 6.94 O ATOM 67 CB LEU A 8 11.487 23.003 21.664 1.00 7.39 C ATOM 68 CG LEU A 8 11.892 22.190 22.887 1.00 5.07 C ATOM 69 CD1 LEU A 8 10.831 22.284 23.962 1.00 4.94 C ATOM 70 CD2 LEU A 8 11.990 20.743 22.388 1.00 8.27 C ATOM 0 H LEU A 8 11.173 24.650 19.840 1.00 7.09 H new ATOM 0 HA LEU A 8 10.969 24.813 22.507 1.00 5.93 H new ATOM 0 HB2 LEU A 8 10.572 22.777 21.433 1.00 7.39 H new ATOM 0 HB3 LEU A 8 12.043 22.732 20.917 1.00 7.39 H new ATOM 0 HG LEU A 8 12.723 22.510 23.272 1.00 5.07 H new ATOM 0 HD11 LEU A 8 11.104 21.762 24.733 1.00 4.94 H new ATOM 0 HD12 LEU A 8 10.717 23.211 24.224 1.00 4.94 H new ATOM 0 HD13 LEU A 8 9.991 21.940 23.619 1.00 4.94 H new ATOM 0 HD21 LEU A 8 12.247 20.164 23.123 1.00 8.27 H new ATOM 0 HD22 LEU A 8 11.129 20.461 22.040 1.00 8.27 H new ATOM 0 HD23 LEU A 8 12.656 20.687 21.685 1.00 8.27 H new ATOM 71 N ALA A 9 13.875 25.085 21.345 1.00 6.22 N ATOM 72 CA ALA A 9 15.272 25.441 21.664 1.00 5.49 C ATOM 73 C ALA A 9 15.283 26.728 22.487 1.00 7.29 C ATOM 74 O ALA A 9 15.905 26.777 23.561 1.00 7.12 O ATOM 75 CB ALA A 9 15.993 25.493 20.334 1.00 5.61 C ATOM 0 H ALA A 9 13.716 24.976 20.507 1.00 6.22 H new ATOM 0 HA ALA A 9 15.738 24.801 22.224 1.00 5.49 H new ATOM 0 HB1 ALA A 9 16.924 25.724 20.479 1.00 5.61 H new ATOM 0 HB2 ALA A 9 15.939 24.626 19.902 1.00 5.61 H new ATOM 0 HB3 ALA A 9 15.579 26.162 19.767 1.00 5.61 H new ATOM 76 N ARG A 10 14.501 27.676 21.960 1.00 7.87 N ATOM 77 CA ARG A 10 14.387 29.017 22.604 1.00 9.30 C ATOM 78 C ARG A 10 13.728 28.913 23.964 1.00 8.13 C ATOM 79 O ARG A 10 14.276 29.601 24.856 1.00 8.21 O ATOM 80 CB ARG A 10 13.746 30.074 21.682 1.00 9.94 C ATOM 81 CG ARG A 10 14.651 30.392 20.491 1.00 10.12 C ATOM 82 CD ARG A 10 14.130 31.515 19.655 1.00 11.78 C ATOM 83 NE ARG A 10 12.898 31.198 18.965 1.00 11.74 N ATOM 84 CZ ARG A 10 12.846 30.722 17.716 1.00 8.98 C ATOM 85 NH1 ARG A 10 11.682 30.481 17.133 1.00 10.67 N ATOM 86 NH2 ARG A 10 13.989 30.602 17.062 1.00 9.62 N ATOM 0 H ARG A 10 14.033 27.578 21.245 1.00 7.87 H new ATOM 0 HA ARG A 10 15.287 29.345 22.757 1.00 9.30 H new ATOM 0 HB2 ARG A 10 12.889 29.751 21.363 1.00 9.94 H new ATOM 0 HB3 ARG A 10 13.574 30.885 22.186 1.00 9.94 H new ATOM 0 HG2 ARG A 10 15.537 30.618 20.814 1.00 10.12 H new ATOM 0 HG3 ARG A 10 14.744 29.599 19.940 1.00 10.12 H new ATOM 0 HD2 ARG A 10 13.985 32.290 20.221 1.00 11.78 H new ATOM 0 HD3 ARG A 10 14.804 31.762 19.002 1.00 11.78 H new ATOM 0 HE ARG A 10 12.156 31.323 19.382 1.00 11.74 H new ATOM 0 HH11 ARG A 10 10.949 30.630 17.558 1.00 10.67 H new ATOM 0 HH12 ARG A 10 11.659 30.175 16.330 1.00 10.67 H new ATOM 0 HH21 ARG A 10 14.727 30.826 17.442 1.00 9.62 H new ATOM 0 HH22 ARG A 10 13.994 30.299 16.257 1.00 9.62 H new ATOM 87 N THR A 11 12.686 28.111 24.091 1.00 6.57 N ATOM 88 CA THR A 11 11.993 27.918 25.359 1.00 8.10 C ATOM 89 C THR A 11 12.887 27.298 26.437 1.00 7.77 C ATOM 90 O THR A 11 12.884 27.710 27.597 1.00 9.76 O ATOM 91 CB THR A 11 10.706 27.016 25.145 1.00 9.00 C ATOM 92 OG1 THR A 11 9.923 27.741 24.128 1.00 12.31 O ATOM 93 CG2 THR A 11 9.935 26.681 26.422 1.00 8.42 C ATOM 0 H THR A 11 12.355 27.657 23.440 1.00 6.57 H new ATOM 0 HA THR A 11 11.734 28.798 25.674 1.00 8.10 H new ATOM 0 HB THR A 11 10.944 26.124 24.848 1.00 9.00 H new ATOM 0 HG1 THR A 11 10.242 27.587 23.366 1.00 12.31 H new ATOM 0 HG21 THR A 11 9.168 26.130 26.202 1.00 8.42 H new ATOM 0 HG22 THR A 11 10.514 26.199 27.033 1.00 8.42 H new ATOM 0 HG23 THR A 11 9.633 27.501 26.843 1.00 8.42 H new ATOM 94 N LEU A 12 13.618 26.237 26.023 1.00 7.85 N ATOM 95 CA LEU A 12 14.507 25.564 26.983 1.00 7.77 C ATOM 96 C LEU A 12 15.620 26.497 27.464 1.00 7.35 C ATOM 97 O LEU A 12 15.955 26.460 28.653 1.00 7.73 O ATOM 98 CB LEU A 12 14.966 24.236 26.402 1.00 7.37 C ATOM 99 CG LEU A 12 13.961 23.123 26.124 1.00 9.32 C ATOM 100 CD1 LEU A 12 14.738 21.929 25.514 1.00 9.19 C ATOM 101 CD2 LEU A 12 13.302 22.729 27.448 1.00 8.36 C ATOM 0 H LEU A 12 13.612 25.909 25.228 1.00 7.85 H new ATOM 0 HA LEU A 12 14.027 25.345 27.797 1.00 7.77 H new ATOM 0 HB2 LEU A 12 15.417 24.430 25.565 1.00 7.37 H new ATOM 0 HB3 LEU A 12 15.633 23.875 27.006 1.00 7.37 H new ATOM 0 HG LEU A 12 13.270 23.405 25.505 1.00 9.32 H new ATOM 0 HD11 LEU A 12 14.122 21.204 25.326 1.00 9.19 H new ATOM 0 HD12 LEU A 12 15.168 22.209 24.691 1.00 9.19 H new ATOM 0 HD13 LEU A 12 15.412 21.626 26.143 1.00 9.19 H new ATOM 0 HD21 LEU A 12 12.658 22.021 27.291 1.00 8.36 H new ATOM 0 HD22 LEU A 12 13.980 22.417 28.067 1.00 8.36 H new ATOM 0 HD23 LEU A 12 12.849 23.499 27.826 1.00 8.36 H new ATOM 102 N LYS A 13 16.185 27.266 26.558 1.00 8.03 N ATOM 103 CA LYS A 13 17.249 28.241 26.953 1.00 9.13 C ATOM 104 C LYS A 13 16.745 29.183 28.047 1.00 8.80 C ATOM 105 O LYS A 13 17.358 29.502 29.074 1.00 7.86 O ATOM 106 CB LYS A 13 17.654 29.111 25.754 1.00 10.77 C ATOM 107 CG LYS A 13 18.903 29.954 26.138 1.00 12.96 C ATOM 108 CD LYS A 13 19.734 30.346 24.960 1.00 15.64 C ATOM 109 CE LYS A 13 21.015 31.077 25.304 1.00 17.27 C ATOM 110 NZ LYS A 13 21.644 30.539 26.537 1.00 20.44 N ATOM 0 H LYS A 13 15.990 27.259 25.720 1.00 8.03 H new ATOM 0 HA LYS A 13 18.005 27.724 27.273 1.00 9.13 H new ATOM 0 HB2 LYS A 13 17.850 28.552 24.986 1.00 10.77 H new ATOM 0 HB3 LYS A 13 16.921 29.694 25.501 1.00 10.77 H new ATOM 0 HG2 LYS A 13 18.615 30.755 26.604 1.00 12.96 H new ATOM 0 HG3 LYS A 13 19.450 29.447 26.758 1.00 12.96 H new ATOM 0 HD2 LYS A 13 19.957 29.547 24.457 1.00 15.64 H new ATOM 0 HD3 LYS A 13 19.201 30.909 24.377 1.00 15.64 H new ATOM 0 HE2 LYS A 13 21.638 31.003 24.564 1.00 17.27 H new ATOM 0 HE3 LYS A 13 20.827 32.021 25.423 1.00 17.27 H new ATOM 0 HZ1 LYS A 13 22.510 30.744 26.542 1.00 20.44 H new ATOM 0 HZ2 LYS A 13 21.251 30.896 27.251 1.00 20.44 H new ATOM 0 HZ3 LYS A 13 21.548 29.654 26.558 1.00 20.44 H new ATOM 111 N ARG A 14 15.518 29.679 27.798 1.00 9.37 N ATOM 112 CA ARG A 14 14.867 30.636 28.718 1.00 9.85 C ATOM 113 C ARG A 14 14.587 30.062 30.071 1.00 10.23 C ATOM 114 O ARG A 14 14.653 30.760 31.095 1.00 8.25 O ATOM 115 CB ARG A 14 13.639 31.198 28.023 1.00 13.08 C ATOM 116 CG ARG A 14 13.274 32.641 28.396 1.00 18.35 C ATOM 117 CD ARG A 14 12.559 33.231 27.203 1.00 21.17 C ATOM 118 NE ARG A 14 11.678 32.202 26.648 1.00 23.83 N ATOM 119 CZ ARG A 14 11.413 32.071 25.354 1.00 25.22 C ATOM 120 NH1 ARG A 14 12.002 32.880 24.474 1.00 24.11 N ATOM 121 NH2 ARG A 14 10.490 31.158 25.033 1.00 24.57 N ATOM 0 H ARG A 14 15.049 29.475 27.107 1.00 9.37 H new ATOM 0 HA ARG A 14 15.479 31.364 28.911 1.00 9.85 H new ATOM 0 HB2 ARG A 14 13.780 31.154 27.064 1.00 13.08 H new ATOM 0 HB3 ARG A 14 12.882 30.626 28.225 1.00 13.08 H new ATOM 0 HG2 ARG A 14 12.706 32.660 29.182 1.00 18.35 H new ATOM 0 HG3 ARG A 14 14.070 33.153 28.609 1.00 18.35 H new ATOM 0 HD2 ARG A 14 12.046 34.010 27.467 1.00 21.17 H new ATOM 0 HD3 ARG A 14 13.199 33.525 26.536 1.00 21.17 H new ATOM 0 HE ARG A 14 11.310 31.649 27.194 1.00 23.83 H new ATOM 0 HH11 ARG A 14 12.551 33.484 24.745 1.00 24.11 H new ATOM 0 HH12 ARG A 14 11.833 32.798 23.635 1.00 24.11 H new ATOM 0 HH21 ARG A 14 10.107 30.698 25.651 1.00 24.57 H new ATOM 0 HH22 ARG A 14 10.279 31.031 24.209 1.00 24.57 H new ATOM 122 N LEU A 15 14.334 28.738 30.079 1.00 9.89 N ATOM 123 CA LEU A 15 14.032 27.988 31.312 1.00 10.55 C ATOM 124 C LEU A 15 15.314 27.543 32.035 1.00 9.72 C ATOM 125 O LEU A 15 15.242 26.899 33.079 1.00 9.10 O ATOM 126 CB LEU A 15 13.076 26.821 30.951 1.00 9.47 C ATOM 127 CG LEU A 15 11.643 27.152 30.626 1.00 9.38 C ATOM 128 CD1 LEU A 15 10.883 25.876 30.207 1.00 9.25 C ATOM 129 CD2 LEU A 15 10.914 27.802 31.800 1.00 8.99 C ATOM 0 H LEU A 15 14.333 28.253 29.369 1.00 9.89 H new ATOM 0 HA LEU A 15 13.580 28.559 31.953 1.00 10.55 H new ATOM 0 HB2 LEU A 15 13.453 26.354 30.189 1.00 9.47 H new ATOM 0 HB3 LEU A 15 13.075 26.197 31.694 1.00 9.47 H new ATOM 0 HG LEU A 15 11.662 27.789 29.895 1.00 9.38 H new ATOM 0 HD11 LEU A 15 9.962 26.101 30.000 1.00 9.25 H new ATOM 0 HD12 LEU A 15 11.305 25.490 29.423 1.00 9.25 H new ATOM 0 HD13 LEU A 15 10.903 25.234 30.934 1.00 9.25 H new ATOM 0 HD21 LEU A 15 9.999 27.996 31.545 1.00 8.99 H new ATOM 0 HD22 LEU A 15 10.917 27.197 32.558 1.00 8.99 H new ATOM 0 HD23 LEU A 15 11.363 28.626 32.044 1.00 8.99 H new ATOM 130 N GLY A 16 16.442 27.932 31.448 1.00 8.64 N ATOM 131 CA GLY A 16 17.758 27.680 31.988 1.00 8.56 C ATOM 132 C GLY A 16 18.365 26.291 31.890 1.00 7.39 C ATOM 133 O GLY A 16 19.070 25.900 32.822 1.00 5.95 O ATOM 0 H GLY A 16 16.456 28.362 30.703 1.00 8.64 H new ATOM 0 HA2 GLY A 16 18.371 28.294 31.554 1.00 8.56 H new ATOM 0 HA3 GLY A 16 17.735 27.919 32.928 1.00 8.56 H new ATOM 134 N MET A 17 18.098 25.632 30.776 1.00 6.69 N ATOM 135 CA MET A 17 18.597 24.248 30.559 1.00 7.58 C ATOM 136 C MET A 17 19.987 24.218 29.976 1.00 7.28 C ATOM 137 O MET A 17 20.738 23.244 30.078 1.00 7.42 O ATOM 138 CB MET A 17 17.637 23.517 29.628 1.00 8.88 C ATOM 139 CG MET A 17 16.280 23.335 30.248 1.00 11.87 C ATOM 140 SD MET A 17 16.471 22.127 31.616 1.00 16.40 S ATOM 141 CE MET A 17 16.082 20.720 30.519 1.00 16.51 C ATOM 0 H MET A 17 17.634 25.951 30.126 1.00 6.69 H new ATOM 0 HA MET A 17 18.641 23.810 31.424 1.00 7.58 H new ATOM 0 HB2 MET A 17 17.549 24.014 28.800 1.00 8.88 H new ATOM 0 HB3 MET A 17 18.006 22.650 29.400 1.00 8.88 H new ATOM 0 HG2 MET A 17 15.939 24.180 30.581 1.00 11.87 H new ATOM 0 HG3 MET A 17 15.643 23.012 29.591 1.00 11.87 H new ATOM 0 HE1 MET A 17 16.371 19.894 30.937 1.00 16.51 H new ATOM 0 HE2 MET A 17 15.125 20.686 30.363 1.00 16.51 H new ATOM 0 HE3 MET A 17 16.543 20.832 29.673 1.00 16.51 H new ATOM 142 N ASP A 18 20.387 25.333 29.353 1.00 8.35 N ATOM 143 CA ASP A 18 21.734 25.367 28.711 1.00 8.46 C ATOM 144 C ASP A 18 22.829 25.214 29.726 1.00 8.92 C ATOM 145 O ASP A 18 23.065 26.083 30.569 1.00 10.43 O ATOM 146 CB ASP A 18 21.894 26.475 27.697 1.00 9.12 C ATOM 147 CG ASP A 18 23.170 26.291 26.870 1.00 12.72 C ATOM 148 OD1 ASP A 18 23.622 25.170 26.569 1.00 9.37 O ATOM 149 OD2 ASP A 18 23.773 27.366 26.519 1.00 14.01 O ATOM 0 H ASP A 18 19.926 26.056 29.286 1.00 8.35 H new ATOM 0 HA ASP A 18 21.820 24.581 28.149 1.00 8.46 H new ATOM 0 HB2 ASP A 18 21.124 26.491 27.108 1.00 9.12 H new ATOM 0 HB3 ASP A 18 21.921 27.331 28.152 1.00 9.12 H new ATOM 150 N GLY A 19 23.521 24.069 29.710 1.00 9.59 N ATOM 151 CA GLY A 19 24.624 23.792 30.627 1.00 8.88 C ATOM 152 C GLY A 19 24.232 23.341 32.002 1.00 9.67 C ATOM 153 O GLY A 19 25.085 23.258 32.886 1.00 11.88 O ATOM 0 H GLY A 19 23.359 23.428 29.160 1.00 9.59 H new ATOM 0 HA2 GLY A 19 25.189 23.110 30.230 1.00 8.88 H new ATOM 0 HA3 GLY A 19 25.163 24.594 30.710 1.00 8.88 H new ATOM 154 N TYR A 20 22.965 23.058 32.211 1.00 10.34 N ATOM 155 CA TYR A 20 22.458 22.606 33.534 1.00 9.21 C ATOM 156 C TYR A 20 23.155 21.295 33.902 1.00 9.29 C ATOM 157 O TYR A 20 23.109 20.316 33.165 1.00 6.17 O ATOM 158 CB TYR A 20 20.907 22.505 33.549 1.00 9.02 C ATOM 159 CG TYR A 20 20.439 22.238 34.968 1.00 9.99 C ATOM 160 CD1 TYR A 20 20.222 23.300 35.839 1.00 9.46 C ATOM 161 CD2 TYR A 20 20.265 20.958 35.463 1.00 5.82 C ATOM 162 CE1 TYR A 20 19.816 23.094 37.159 1.00 10.23 C ATOM 163 CE2 TYR A 20 19.836 20.728 36.749 1.00 8.59 C ATOM 164 CZ TYR A 20 19.636 21.773 37.611 1.00 10.20 C ATOM 165 OH TYR A 20 19.249 21.536 38.907 1.00 12.87 O ATOM 0 H TYR A 20 22.358 23.116 31.604 1.00 10.34 H new ATOM 0 HA TYR A 20 22.672 23.264 34.214 1.00 9.21 H new ATOM 0 HB2 TYR A 20 20.515 23.328 33.217 1.00 9.02 H new ATOM 0 HB3 TYR A 20 20.613 21.793 32.960 1.00 9.02 H new ATOM 0 HD1 TYR A 20 20.351 24.169 35.535 1.00 9.46 H new ATOM 0 HD2 TYR A 20 20.443 20.232 34.910 1.00 5.82 H new ATOM 0 HE1 TYR A 20 19.668 23.815 37.728 1.00 10.23 H new ATOM 0 HE2 TYR A 20 19.681 19.857 37.035 1.00 8.59 H new ATOM 0 HH TYR A 20 19.328 22.241 39.357 1.00 12.87 H new ATOM 166 N ARG A 21 23.809 21.309 35.045 1.00 10.02 N ATOM 167 CA ARG A 21 24.564 20.188 35.574 1.00 12.30 C ATOM 168 C ARG A 21 25.509 19.631 34.495 1.00 11.45 C ATOM 169 O ARG A 21 25.718 18.428 34.343 1.00 10.59 O ATOM 170 CB ARG A 21 23.715 19.043 36.157 1.00 15.63 C ATOM 171 CG ARG A 21 23.057 19.325 37.487 1.00 18.39 C ATOM 172 CD ARG A 21 23.973 19.182 38.630 1.00 24.41 C ATOM 173 NE ARG A 21 24.284 17.784 38.952 1.00 26.81 N ATOM 174 CZ ARG A 21 25.214 17.422 39.847 1.00 26.71 C ATOM 175 NH1 ARG A 21 25.431 16.111 39.972 1.00 28.26 N ATOM 176 NH2 ARG A 21 25.879 18.320 40.572 1.00 25.78 N ATOM 0 H ARG A 21 23.828 21.999 35.558 1.00 10.02 H new ATOM 0 HA ARG A 21 25.062 20.551 36.323 1.00 12.30 H new ATOM 0 HB2 ARG A 21 23.024 18.816 35.515 1.00 15.63 H new ATOM 0 HB3 ARG A 21 24.280 18.261 36.254 1.00 15.63 H new ATOM 0 HG2 ARG A 21 22.698 20.226 37.479 1.00 18.39 H new ATOM 0 HG3 ARG A 21 22.307 18.722 37.604 1.00 18.39 H new ATOM 0 HD2 ARG A 21 24.798 19.654 38.437 1.00 24.41 H new ATOM 0 HD3 ARG A 21 23.579 19.607 39.408 1.00 24.41 H new ATOM 0 HE ARG A 21 23.847 17.165 38.545 1.00 26.81 H new ATOM 0 HH11 ARG A 21 24.985 15.554 39.493 1.00 28.26 H new ATOM 0 HH12 ARG A 21 26.017 15.824 40.532 1.00 28.26 H new ATOM 0 HH21 ARG A 21 25.716 19.159 40.472 1.00 25.78 H new ATOM 0 HH22 ARG A 21 26.471 18.061 41.140 1.00 25.78 H new ATOM 177 N GLY A 22 26.058 20.538 33.702 1.00 10.15 N ATOM 178 CA GLY A 22 27.006 20.237 32.642 1.00 8.48 C ATOM 179 C GLY A 22 26.400 19.767 31.354 1.00 7.68 C ATOM 180 O GLY A 22 27.160 19.312 30.481 1.00 8.49 O ATOM 0 H GLY A 22 25.882 21.377 33.769 1.00 10.15 H new ATOM 0 HA2 GLY A 22 27.532 21.032 32.463 1.00 8.48 H new ATOM 0 HA3 GLY A 22 27.620 19.557 32.961 1.00 8.48 H new ATOM 181 N ILE A 23 25.096 19.821 31.194 1.00 7.49 N ATOM 182 CA ILE A 23 24.452 19.353 29.958 1.00 7.03 C ATOM 183 C ILE A 23 24.078 20.499 29.015 1.00 7.94 C ATOM 184 O ILE A 23 23.207 21.318 29.383 1.00 7.90 O ATOM 185 CB ILE A 23 23.153 18.497 30.264 1.00 6.09 C ATOM 186 CG1 ILE A 23 23.469 17.450 31.345 1.00 6.43 C ATOM 187 CG2 ILE A 23 22.531 18.020 28.937 1.00 4.46 C ATOM 188 CD1 ILE A 23 22.259 17.046 32.241 1.00 7.07 C ATOM 0 H ILE A 23 24.551 20.125 31.786 1.00 7.49 H new ATOM 0 HA ILE A 23 25.113 18.796 29.517 1.00 7.03 H new ATOM 0 HB ILE A 23 22.439 19.015 30.668 1.00 6.09 H new ATOM 0 HG12 ILE A 23 23.816 16.653 30.914 1.00 6.43 H new ATOM 0 HG13 ILE A 23 24.175 17.794 31.914 1.00 6.43 H new ATOM 0 HG21 ILE A 23 21.736 17.496 29.122 1.00 4.46 H new ATOM 0 HG22 ILE A 23 22.292 18.789 28.396 1.00 4.46 H new ATOM 0 HG23 ILE A 23 23.173 17.474 28.456 1.00 4.46 H new ATOM 0 HD11 ILE A 23 22.544 16.386 32.892 1.00 7.07 H new ATOM 0 HD12 ILE A 23 21.922 17.830 32.703 1.00 7.07 H new ATOM 0 HD13 ILE A 23 21.557 16.671 31.687 1.00 7.07 H new ATOM 189 N SER A 24 24.620 20.439 27.816 1.00 7.06 N ATOM 190 CA SER A 24 24.369 21.485 26.793 1.00 6.90 C ATOM 191 C SER A 24 22.950 21.442 26.243 1.00 7.53 C ATOM 192 O SER A 24 22.239 20.412 26.242 1.00 6.97 O ATOM 193 CB SER A 24 25.291 21.380 25.575 1.00 7.37 C ATOM 194 OG SER A 24 24.967 20.194 24.838 1.00 7.52 O ATOM 0 H SER A 24 25.141 19.806 27.556 1.00 7.06 H new ATOM 0 HA SER A 24 24.535 22.311 27.275 1.00 6.90 H new ATOM 0 HB2 SER A 24 25.189 22.162 25.011 1.00 7.37 H new ATOM 0 HB3 SER A 24 26.218 21.354 25.859 1.00 7.37 H new ATOM 0 HG SER A 24 25.470 20.134 24.168 1.00 7.52 H new ATOM 195 N LEU A 25 22.506 22.604 25.738 1.00 5.65 N ATOM 196 CA LEU A 25 21.148 22.658 25.175 1.00 6.22 C ATOM 197 C LEU A 25 20.921 21.625 24.063 1.00 6.12 C ATOM 198 O LEU A 25 19.825 21.044 23.996 1.00 4.68 O ATOM 199 CB LEU A 25 20.901 24.110 24.713 1.00 8.53 C ATOM 200 CG LEU A 25 19.496 24.444 24.201 1.00 10.20 C ATOM 201 CD1 LEU A 25 18.412 24.261 25.222 1.00 10.82 C ATOM 202 CD2 LEU A 25 19.528 25.922 23.731 1.00 12.22 C ATOM 0 H LEU A 25 22.952 23.339 25.712 1.00 5.65 H new ATOM 0 HA LEU A 25 20.498 22.414 25.852 1.00 6.22 H new ATOM 0 HB2 LEU A 25 21.100 24.701 25.456 1.00 8.53 H new ATOM 0 HB3 LEU A 25 21.536 24.315 24.009 1.00 8.53 H new ATOM 0 HG LEU A 25 19.279 23.827 23.484 1.00 10.20 H new ATOM 0 HD11 LEU A 25 17.555 24.490 24.829 1.00 10.82 H new ATOM 0 HD12 LEU A 25 18.396 23.337 25.515 1.00 10.82 H new ATOM 0 HD13 LEU A 25 18.583 24.838 25.983 1.00 10.82 H new ATOM 0 HD21 LEU A 25 18.653 26.175 23.398 1.00 12.22 H new ATOM 0 HD22 LEU A 25 19.767 26.494 24.477 1.00 12.22 H new ATOM 0 HD23 LEU A 25 20.184 26.023 23.024 1.00 12.22 H new ATOM 203 N ALA A 26 21.910 21.426 23.231 1.00 5.68 N ATOM 204 CA ALA A 26 21.848 20.489 22.094 1.00 7.20 C ATOM 205 C ALA A 26 21.547 19.067 22.577 1.00 5.95 C ATOM 206 O ALA A 26 20.795 18.364 21.877 1.00 7.03 O ATOM 207 CB ALA A 26 23.133 20.588 21.270 1.00 7.05 C ATOM 0 H ALA A 26 22.664 21.834 23.297 1.00 5.68 H new ATOM 0 HA ALA A 26 21.115 20.733 21.508 1.00 7.20 H new ATOM 0 HB1 ALA A 26 23.087 19.970 20.524 1.00 7.05 H new ATOM 0 HB2 ALA A 26 23.234 21.493 20.935 1.00 7.05 H new ATOM 0 HB3 ALA A 26 23.894 20.364 21.829 1.00 7.05 H new ATOM 208 N ASN A 27 22.062 18.716 23.746 1.00 5.69 N ATOM 209 CA ASN A 27 21.826 17.402 24.371 1.00 4.86 C ATOM 210 C ASN A 27 20.365 17.257 24.762 1.00 5.64 C ATOM 211 O ASN A 27 19.727 16.190 24.583 1.00 5.13 O ATOM 212 CB ASN A 27 22.793 17.143 25.543 1.00 5.60 C ATOM 213 CG ASN A 27 24.073 16.584 24.961 1.00 6.56 C ATOM 214 OD1 ASN A 27 24.188 15.495 24.355 1.00 7.43 O ATOM 215 ND2 ASN A 27 25.108 17.441 24.977 1.00 9.08 N ATOM 0 H ASN A 27 22.566 19.234 24.212 1.00 5.69 H new ATOM 0 HA ASN A 27 22.018 16.711 23.718 1.00 4.86 H new ATOM 0 HB2 ASN A 27 22.969 17.964 26.028 1.00 5.60 H new ATOM 0 HB3 ASN A 27 22.404 16.518 26.175 1.00 5.60 H new ATOM 0 HD21 ASN A 27 25.840 17.239 24.573 1.00 9.08 H new ATOM 0 HD22 ASN A 27 25.038 18.192 25.391 1.00 9.08 H new ATOM 216 N TRP A 28 19.850 18.316 25.399 1.00 4.88 N ATOM 217 CA TRP A 28 18.428 18.298 25.812 1.00 4.50 C ATOM 218 C TRP A 28 17.522 18.224 24.598 1.00 3.53 C ATOM 219 O TRP A 28 16.443 17.554 24.685 1.00 2.85 O ATOM 220 CB TRP A 28 18.070 19.498 26.664 1.00 4.27 C ATOM 221 CG TRP A 28 18.651 19.588 28.014 1.00 6.06 C ATOM 222 CD1 TRP A 28 19.653 20.463 28.434 1.00 7.59 C ATOM 223 CD2 TRP A 28 18.377 18.753 29.123 1.00 6.50 C ATOM 224 NE1 TRP A 28 19.910 20.256 29.787 1.00 6.81 N ATOM 225 CE2 TRP A 28 19.149 19.215 30.212 1.00 6.11 C ATOM 226 CE3 TRP A 28 17.468 17.703 29.300 1.00 7.80 C ATOM 227 CZ2 TRP A 28 19.037 18.646 31.459 1.00 8.12 C ATOM 228 CZ3 TRP A 28 17.365 17.127 30.562 1.00 5.93 C ATOM 229 CH2 TRP A 28 18.147 17.584 31.608 1.00 8.59 C ATOM 0 H TRP A 28 20.283 19.032 25.598 1.00 4.88 H new ATOM 0 HA TRP A 28 18.295 17.505 26.354 1.00 4.50 H new ATOM 0 HB2 TRP A 28 18.328 20.296 26.176 1.00 4.27 H new ATOM 0 HB3 TRP A 28 17.104 19.520 26.754 1.00 4.27 H new ATOM 0 HD1 TRP A 28 20.082 21.087 27.895 1.00 7.59 H new ATOM 0 HE1 TRP A 28 20.457 20.710 30.271 1.00 6.81 H new ATOM 0 HE3 TRP A 28 16.947 17.399 28.592 1.00 7.80 H new ATOM 0 HZ2 TRP A 28 19.538 18.959 32.178 1.00 8.12 H new ATOM 0 HZ3 TRP A 28 16.766 16.430 30.704 1.00 5.93 H new ATOM 0 HH2 TRP A 28 18.076 17.169 32.437 1.00 8.59 H new ATOM 230 N MET A 29 17.879 18.871 23.540 1.00 3.66 N ATOM 231 CA MET A 29 17.093 18.874 22.285 1.00 4.52 C ATOM 232 C MET A 29 17.092 17.413 21.714 1.00 5.29 C ATOM 233 O MET A 29 16.037 16.901 21.353 1.00 4.99 O ATOM 234 CB MET A 29 17.638 19.884 21.286 1.00 5.07 C ATOM 235 CG MET A 29 17.310 21.342 21.639 1.00 7.09 C ATOM 236 SD MET A 29 15.520 21.662 21.623 1.00 9.11 S ATOM 237 CE MET A 29 15.112 21.419 19.903 1.00 8.06 C ATOM 0 H MET A 29 18.597 19.342 23.498 1.00 3.66 H new ATOM 0 HA MET A 29 16.181 19.151 22.463 1.00 4.52 H new ATOM 0 HB2 MET A 29 18.601 19.783 21.229 1.00 5.07 H new ATOM 0 HB3 MET A 29 17.279 19.684 20.407 1.00 5.07 H new ATOM 0 HG2 MET A 29 17.667 21.549 22.517 1.00 7.09 H new ATOM 0 HG3 MET A 29 17.749 21.933 21.008 1.00 7.09 H new ATOM 0 HE1 MET A 29 14.215 21.746 19.734 1.00 8.06 H new ATOM 0 HE2 MET A 29 15.743 21.905 19.349 1.00 8.06 H new ATOM 0 HE3 MET A 29 15.157 20.474 19.690 1.00 8.06 H new ATOM 238 N CYS A 30 18.293 16.850 21.630 1.00 5.55 N ATOM 239 CA CYS A 30 18.470 15.470 21.126 1.00 6.88 C ATOM 240 C CYS A 30 17.594 14.512 21.941 1.00 7.01 C ATOM 241 O CYS A 30 16.849 13.724 21.357 1.00 8.55 O ATOM 242 CB CYS A 30 19.956 15.084 21.201 1.00 6.54 C ATOM 243 SG CYS A 30 20.230 13.449 20.369 1.00 9.18 S ATOM 0 H CYS A 30 19.024 17.242 21.857 1.00 5.55 H new ATOM 0 HA CYS A 30 18.192 15.413 20.198 1.00 6.88 H new ATOM 0 HB2 CYS A 30 20.497 15.767 20.775 1.00 6.54 H new ATOM 0 HB3 CYS A 30 20.239 15.035 22.128 1.00 6.54 H new ATOM 244 N LEU A 31 17.586 14.602 23.276 1.00 5.58 N ATOM 245 CA LEU A 31 16.776 13.763 24.122 1.00 6.04 C ATOM 246 C LEU A 31 15.284 13.907 23.806 1.00 7.27 C ATOM 247 O LEU A 31 14.612 12.869 23.571 1.00 6.15 O ATOM 248 CB LEU A 31 17.081 14.045 25.610 1.00 6.60 C ATOM 249 CG LEU A 31 16.161 13.366 26.645 1.00 5.03 C ATOM 250 CD1 LEU A 31 16.548 11.902 26.793 1.00 7.95 C ATOM 251 CD2 LEU A 31 16.345 14.061 28.009 1.00 7.75 C ATOM 0 H LEU A 31 18.066 15.168 23.711 1.00 5.58 H new ATOM 0 HA LEU A 31 17.007 12.839 23.939 1.00 6.04 H new ATOM 0 HB2 LEU A 31 17.994 13.770 25.790 1.00 6.60 H new ATOM 0 HB3 LEU A 31 17.040 15.004 25.751 1.00 6.60 H new ATOM 0 HG LEU A 31 15.239 13.434 26.350 1.00 5.03 H new ATOM 0 HD11 LEU A 31 15.968 11.478 27.444 1.00 7.95 H new ATOM 0 HD12 LEU A 31 16.455 11.454 25.938 1.00 7.95 H new ATOM 0 HD13 LEU A 31 17.469 11.839 27.092 1.00 7.95 H new ATOM 0 HD21 LEU A 31 15.770 13.640 28.667 1.00 7.75 H new ATOM 0 HD22 LEU A 31 17.270 13.982 28.291 1.00 7.75 H new ATOM 0 HD23 LEU A 31 16.111 14.999 27.929 1.00 7.75 H new ATOM 252 N ALA A 32 14.793 15.168 23.841 1.00 5.99 N ATOM 253 CA ALA A 32 13.369 15.408 23.585 1.00 6.70 C ATOM 254 C ALA A 32 12.967 14.886 22.215 1.00 6.25 C ATOM 255 O ALA A 32 11.821 14.400 22.088 1.00 7.51 O ATOM 256 CB ALA A 32 12.986 16.909 23.683 1.00 7.30 C ATOM 0 H ALA A 32 15.259 15.872 24.007 1.00 5.99 H new ATOM 0 HA ALA A 32 12.889 14.928 24.278 1.00 6.70 H new ATOM 0 HB1 ALA A 32 12.038 17.013 23.506 1.00 7.30 H new ATOM 0 HB2 ALA A 32 13.186 17.237 24.574 1.00 7.30 H new ATOM 0 HB3 ALA A 32 13.494 17.416 23.030 1.00 7.30 H new ATOM 257 N LYS A 33 13.873 15.031 21.253 1.00 5.86 N ATOM 258 CA LYS A 33 13.613 14.572 19.888 1.00 7.25 C ATOM 259 C LYS A 33 13.384 13.042 19.857 1.00 7.29 C ATOM 260 O LYS A 33 12.350 12.664 19.283 1.00 7.96 O ATOM 261 CB LYS A 33 14.697 14.872 18.877 1.00 7.84 C ATOM 262 CG LYS A 33 14.144 14.660 17.437 1.00 11.81 C ATOM 263 CD LYS A 33 14.831 13.479 16.774 1.00 18.06 C ATOM 264 CE LYS A 33 13.963 12.806 15.726 1.00 20.48 C ATOM 265 NZ LYS A 33 14.799 11.914 14.893 1.00 23.14 N ATOM 0 H LYS A 33 14.645 15.392 21.368 1.00 5.86 H new ATOM 0 HA LYS A 33 12.825 15.075 19.630 1.00 7.25 H new ATOM 0 HB2 LYS A 33 15.007 15.785 18.983 1.00 7.84 H new ATOM 0 HB3 LYS A 33 15.461 14.294 19.028 1.00 7.84 H new ATOM 0 HG2 LYS A 33 13.187 14.507 17.471 1.00 11.81 H new ATOM 0 HG3 LYS A 33 14.285 15.461 16.909 1.00 11.81 H new ATOM 0 HD2 LYS A 33 15.655 13.780 16.361 1.00 18.06 H new ATOM 0 HD3 LYS A 33 15.074 12.829 17.452 1.00 18.06 H new ATOM 0 HE2 LYS A 33 13.257 12.297 16.155 1.00 20.48 H new ATOM 0 HE3 LYS A 33 13.533 13.475 15.170 1.00 20.48 H new ATOM 0 HZ1 LYS A 33 14.279 11.325 14.475 1.00 23.14 H new ATOM 0 HZ2 LYS A 33 15.241 12.398 14.291 1.00 23.14 H new ATOM 0 HZ3 LYS A 33 15.380 11.482 15.411 1.00 23.14 H new ATOM 266 N TRP A 34 14.300 12.291 20.444 1.00 7.23 N ATOM 267 CA TRP A 34 14.152 10.806 20.414 1.00 7.58 C ATOM 268 C TRP A 34 13.121 10.310 21.405 1.00 8.02 C ATOM 269 O TRP A 34 12.491 9.257 21.154 1.00 9.06 O ATOM 270 CB TRP A 34 15.557 10.180 20.552 1.00 8.18 C ATOM 271 CG TRP A 34 16.365 10.479 19.327 1.00 10.99 C ATOM 272 CD1 TRP A 34 17.366 11.420 19.224 1.00 11.49 C ATOM 273 CD2 TRP A 34 16.215 9.905 18.019 1.00 12.75 C ATOM 274 NE1 TRP A 34 17.828 11.434 17.925 1.00 12.16 N ATOM 275 CE2 TRP A 34 17.165 10.515 17.178 1.00 12.60 C ATOM 276 CE3 TRP A 34 15.399 8.896 17.495 1.00 12.89 C ATOM 277 CZ2 TRP A 34 17.301 10.162 15.839 1.00 13.71 C ATOM 278 CZ3 TRP A 34 15.565 8.519 16.179 1.00 11.35 C ATOM 279 CH2 TRP A 34 16.492 9.125 15.361 1.00 12.50 C ATOM 0 H TRP A 34 14.995 12.587 20.855 1.00 7.23 H new ATOM 0 HA TRP A 34 13.787 10.515 19.564 1.00 7.58 H new ATOM 0 HB2 TRP A 34 16.002 10.533 21.338 1.00 8.18 H new ATOM 0 HB3 TRP A 34 15.483 9.221 20.675 1.00 8.18 H new ATOM 0 HD1 TRP A 34 17.678 11.957 19.916 1.00 11.49 H new ATOM 0 HE1 TRP A 34 18.448 11.952 17.630 1.00 12.16 H new ATOM 0 HE3 TRP A 34 14.755 8.486 18.026 1.00 12.89 H new ATOM 0 HZ2 TRP A 34 17.906 10.598 15.283 1.00 13.71 H new ATOM 0 HZ3 TRP A 34 15.036 7.836 15.834 1.00 11.35 H new ATOM 0 HH2 TRP A 34 16.582 8.842 14.480 1.00 12.50 H new ATOM 280 N GLU A 35 12.899 10.932 22.535 1.00 7.10 N ATOM 281 CA GLU A 35 11.927 10.475 23.484 1.00 7.02 C ATOM 282 C GLU A 35 10.498 10.659 23.042 1.00 8.04 C ATOM 283 O GLU A 35 9.765 9.688 23.047 1.00 7.86 O ATOM 284 CB GLU A 35 12.088 11.099 24.886 1.00 8.40 C ATOM 285 CG GLU A 35 13.373 10.717 25.607 1.00 10.88 C ATOM 286 CD GLU A 35 13.487 9.237 25.898 1.00 13.91 C ATOM 287 OE1 GLU A 35 12.546 8.483 25.744 1.00 14.36 O ATOM 288 OE2 GLU A 35 14.602 8.862 26.311 1.00 15.73 O ATOM 0 H GLU A 35 13.317 11.644 22.776 1.00 7.10 H new ATOM 0 HA GLU A 35 12.113 9.525 23.537 1.00 7.02 H new ATOM 0 HB2 GLU A 35 12.053 12.065 24.803 1.00 8.40 H new ATOM 0 HB3 GLU A 35 11.333 10.834 25.434 1.00 8.40 H new ATOM 0 HG2 GLU A 35 14.131 10.992 25.068 1.00 10.88 H new ATOM 0 HG3 GLU A 35 13.425 11.208 26.442 1.00 10.88 H new ATOM 289 N SER A 36 10.115 11.878 22.612 1.00 8.09 N ATOM 290 CA SER A 36 8.735 12.158 22.254 1.00 8.13 C ATOM 291 C SER A 36 8.465 12.795 20.914 1.00 9.14 C ATOM 292 O SER A 36 7.266 12.990 20.580 1.00 10.79 O ATOM 293 CB SER A 36 8.194 13.161 23.323 1.00 9.56 C ATOM 294 OG SER A 36 8.878 14.416 23.189 1.00 9.26 O ATOM 0 H SER A 36 10.648 12.547 22.525 1.00 8.09 H new ATOM 0 HA SER A 36 8.311 11.287 22.212 1.00 8.13 H new ATOM 0 HB2 SER A 36 7.239 13.288 23.208 1.00 9.56 H new ATOM 0 HB3 SER A 36 8.327 12.802 24.214 1.00 9.56 H new ATOM 0 HG SER A 36 9.371 14.539 23.858 1.00 9.26 H new ATOM 295 N GLY A 37 9.502 13.109 20.170 1.00 8.68 N ATOM 296 CA GLY A 37 9.370 13.827 18.898 1.00 8.70 C ATOM 297 C GLY A 37 8.850 15.224 19.231 1.00 8.39 C ATOM 298 O GLY A 37 8.019 15.826 18.514 1.00 9.47 O ATOM 0 H GLY A 37 10.313 12.915 20.380 1.00 8.68 H new ATOM 0 HA2 GLY A 37 10.224 13.878 18.442 1.00 8.70 H new ATOM 0 HA3 GLY A 37 8.758 13.365 18.304 1.00 8.70 H new ATOM 299 N TYR A 38 9.297 15.770 20.333 1.00 8.49 N ATOM 300 CA TYR A 38 8.915 17.122 20.810 1.00 9.90 C ATOM 301 C TYR A 38 7.437 17.252 21.172 1.00 9.59 C ATOM 302 O TYR A 38 6.896 18.369 21.215 1.00 10.34 O ATOM 303 CB TYR A 38 9.317 18.231 19.817 1.00 9.48 C ATOM 304 CG TYR A 38 10.736 18.255 19.292 1.00 8.27 C ATOM 305 CD1 TYR A 38 10.939 18.409 17.932 1.00 7.23 C ATOM 306 CD2 TYR A 38 11.848 18.088 20.108 1.00 8.10 C ATOM 307 CE1 TYR A 38 12.218 18.449 17.363 1.00 7.94 C ATOM 308 CE2 TYR A 38 13.137 18.100 19.568 1.00 8.32 C ATOM 309 CZ TYR A 38 13.299 18.298 18.208 1.00 7.03 C ATOM 310 OH TYR A 38 14.575 18.268 17.703 1.00 7.47 O ATOM 0 H TYR A 38 9.850 15.370 20.857 1.00 8.49 H new ATOM 0 HA TYR A 38 9.421 17.242 21.629 1.00 9.90 H new ATOM 0 HB2 TYR A 38 8.722 18.172 19.053 1.00 9.48 H new ATOM 0 HB3 TYR A 38 9.147 19.085 20.245 1.00 9.48 H new ATOM 0 HD1 TYR A 38 10.199 18.489 17.375 1.00 7.23 H new ATOM 0 HD2 TYR A 38 11.733 17.967 21.023 1.00 8.10 H new ATOM 0 HE1 TYR A 38 12.335 18.573 16.449 1.00 7.94 H new ATOM 0 HE2 TYR A 38 13.878 17.976 20.117 1.00 8.32 H new ATOM 0 HH TYR A 38 15.123 18.172 18.332 1.00 7.47 H new ATOM 311 N ASN A 39 6.781 16.169 21.533 1.00 9.23 N ATOM 312 CA ASN A 39 5.359 16.091 21.890 1.00 9.26 C ATOM 313 C ASN A 39 5.118 16.051 23.385 1.00 9.39 C ATOM 314 O ASN A 39 5.515 15.088 24.057 1.00 9.11 O ATOM 315 CB ASN A 39 4.733 14.908 21.102 1.00 9.62 C ATOM 316 CG ASN A 39 3.236 14.781 21.249 1.00 8.88 C ATOM 317 OD1 ASN A 39 2.520 15.572 21.878 1.00 11.14 O ATOM 318 ND2 ASN A 39 2.672 13.726 20.642 1.00 11.00 N ATOM 0 H ASN A 39 7.170 15.404 21.583 1.00 9.23 H new ATOM 0 HA ASN A 39 4.907 16.908 21.627 1.00 9.26 H new ATOM 0 HB2 ASN A 39 4.947 15.012 20.162 1.00 9.62 H new ATOM 0 HB3 ASN A 39 5.147 14.082 21.398 1.00 9.62 H new ATOM 0 HD21 ASN A 39 1.822 13.605 20.692 1.00 11.00 H new ATOM 0 HD22 ASN A 39 3.160 13.171 20.203 1.00 11.00 H new ATOM 319 N THR A 40 4.420 17.056 23.957 1.00 8.25 N ATOM 320 CA THR A 40 4.155 17.069 25.403 1.00 8.62 C ATOM 321 C THR A 40 3.090 16.067 25.847 1.00 8.50 C ATOM 322 O THR A 40 3.057 15.756 27.050 1.00 9.19 O ATOM 323 CB THR A 40 3.724 18.546 25.866 1.00 7.79 C ATOM 324 OG1 THR A 40 2.451 18.799 25.196 1.00 8.02 O ATOM 325 CG2 THR A 40 4.771 19.583 25.509 1.00 6.12 C ATOM 0 H THR A 40 4.098 17.728 23.527 1.00 8.25 H new ATOM 0 HA THR A 40 4.983 16.800 25.830 1.00 8.62 H new ATOM 0 HB THR A 40 3.638 18.607 26.830 1.00 7.79 H new ATOM 0 HG1 THR A 40 1.822 18.710 25.746 1.00 8.02 H new ATOM 0 HG21 THR A 40 4.474 20.458 25.804 1.00 6.12 H new ATOM 0 HG22 THR A 40 5.608 19.362 25.946 1.00 6.12 H new ATOM 0 HG23 THR A 40 4.902 19.594 24.548 1.00 6.12 H new ATOM 326 N ARG A 41 2.270 15.604 24.955 1.00 9.17 N ATOM 327 CA ARG A 41 1.172 14.663 25.239 1.00 13.15 C ATOM 328 C ARG A 41 1.579 13.192 25.220 1.00 12.89 C ATOM 329 O ARG A 41 0.816 12.300 25.648 1.00 12.70 O ATOM 330 CB ARG A 41 -0.079 14.938 24.319 1.00 16.12 C ATOM 331 CG ARG A 41 -1.054 15.804 25.081 1.00 22.70 C ATOM 332 CD ARG A 41 -2.303 16.394 24.614 1.00 25.40 C ATOM 333 NE ARG A 41 -2.320 17.472 23.678 1.00 29.69 N ATOM 334 CZ ARG A 41 -2.417 18.787 23.688 1.00 31.22 C ATOM 335 NH1 ARG A 41 -2.566 19.519 24.804 1.00 33.17 N ATOM 336 NH2 ARG A 41 -2.340 19.478 22.530 1.00 29.98 N ATOM 0 H ARG A 41 2.319 15.823 24.125 1.00 9.17 H new ATOM 0 HA ARG A 41 0.917 14.839 26.158 1.00 13.15 H new ATOM 0 HB2 ARG A 41 0.195 15.380 23.500 1.00 16.12 H new ATOM 0 HB3 ARG A 41 -0.499 14.102 24.063 1.00 16.12 H new ATOM 0 HG2 ARG A 41 -1.300 15.279 25.859 1.00 22.70 H new ATOM 0 HG3 ARG A 41 -0.527 16.553 25.400 1.00 22.70 H new ATOM 0 HD2 ARG A 41 -2.825 15.675 24.224 1.00 25.40 H new ATOM 0 HD3 ARG A 41 -2.782 16.698 25.401 1.00 25.40 H new ATOM 0 HE ARG A 41 -2.245 17.178 22.873 1.00 29.69 H new ATOM 0 HH11 ARG A 41 -2.603 19.131 25.571 1.00 33.17 H new ATOM 0 HH12 ARG A 41 -2.624 20.375 24.752 1.00 33.17 H new ATOM 0 HH21 ARG A 41 -2.228 19.060 21.787 1.00 29.98 H new ATOM 0 HH22 ARG A 41 -2.403 20.336 22.536 1.00 29.98 H new ATOM 337 N ALA A 42 2.776 12.916 24.716 1.00 12.48 N ATOM 338 CA ALA A 42 3.321 11.575 24.630 1.00 14.50 C ATOM 339 C ALA A 42 3.354 10.826 25.991 1.00 13.04 C ATOM 340 O ALA A 42 3.865 11.315 26.981 1.00 11.70 O ATOM 341 CB ALA A 42 4.737 11.533 24.054 1.00 14.79 C ATOM 0 H ALA A 42 3.304 13.521 24.408 1.00 12.48 H new ATOM 0 HA ALA A 42 2.706 11.128 24.028 1.00 14.50 H new ATOM 0 HB1 ALA A 42 5.046 10.614 24.021 1.00 14.79 H new ATOM 0 HB2 ALA A 42 4.733 11.904 23.158 1.00 14.79 H new ATOM 0 HB3 ALA A 42 5.331 12.054 24.617 1.00 14.79 H new ATOM 342 N THR A 43 2.834 9.606 25.868 1.00 12.66 N ATOM 343 CA THR A 43 2.789 8.623 26.969 1.00 11.48 C ATOM 344 C THR A 43 3.176 7.258 26.394 1.00 11.46 C ATOM 345 O THR A 43 2.909 6.911 25.205 1.00 11.87 O ATOM 346 CB THR A 43 1.448 8.551 27.773 1.00 13.62 C ATOM 347 OG1 THR A 43 0.424 8.081 26.826 1.00 16.94 O ATOM 348 CG2 THR A 43 0.907 9.834 28.422 1.00 14.23 C ATOM 0 H THR A 43 2.491 9.316 25.135 1.00 12.66 H new ATOM 0 HA THR A 43 3.422 8.923 27.640 1.00 11.48 H new ATOM 0 HB THR A 43 1.644 7.974 28.528 1.00 13.62 H new ATOM 0 HG1 THR A 43 -0.317 8.026 27.218 1.00 16.94 H new ATOM 0 HG21 THR A 43 0.076 9.638 28.883 1.00 14.23 H new ATOM 0 HG22 THR A 43 1.556 10.174 29.057 1.00 14.23 H new ATOM 0 HG23 THR A 43 0.747 10.501 27.736 1.00 14.23 H new ATOM 349 N ASN A 44 3.855 6.476 27.212 1.00 12.25 N ATOM 350 CA ASN A 44 4.300 5.120 26.798 1.00 12.59 C ATOM 351 C ASN A 44 4.212 4.219 28.034 1.00 12.12 C ATOM 352 O ASN A 44 4.951 4.420 28.982 1.00 10.41 O ATOM 353 CB ASN A 44 5.726 5.080 26.282 1.00 16.71 C ATOM 354 CG ASN A 44 6.335 3.686 26.107 1.00 20.56 C ATOM 355 OD1 ASN A 44 6.040 2.951 25.146 1.00 22.36 O ATOM 356 ND2 ASN A 44 7.207 3.258 27.013 1.00 21.15 N ATOM 0 H ASN A 44 4.077 6.695 28.014 1.00 12.25 H new ATOM 0 HA ASN A 44 3.730 4.829 26.069 1.00 12.59 H new ATOM 0 HB2 ASN A 44 5.755 5.536 25.427 1.00 16.71 H new ATOM 0 HB3 ASN A 44 6.287 5.585 26.892 1.00 16.71 H new ATOM 0 HD21 ASN A 44 7.563 2.479 26.933 1.00 21.15 H new ATOM 0 HD22 ASN A 44 7.416 3.760 27.679 1.00 21.15 H new ATOM 357 N TYR A 45 3.352 3.217 27.868 1.00 13.83 N ATOM 358 CA TYR A 45 3.191 2.190 28.919 1.00 12.59 C ATOM 359 C TYR A 45 4.234 1.091 28.675 1.00 12.60 C ATOM 360 O TYR A 45 4.429 0.547 27.587 1.00 13.13 O ATOM 361 CB TYR A 45 1.747 1.616 28.848 1.00 11.92 C ATOM 362 CG TYR A 45 1.496 0.571 29.895 1.00 13.06 C ATOM 363 CD1 TYR A 45 1.288 -0.787 29.548 1.00 14.07 C ATOM 364 CD2 TYR A 45 1.558 0.927 31.233 1.00 12.24 C ATOM 365 CE1 TYR A 45 1.081 -1.726 30.571 1.00 13.98 C ATOM 366 CE2 TYR A 45 1.383 -0.013 32.255 1.00 15.59 C ATOM 367 CZ TYR A 45 1.120 -1.350 31.881 1.00 13.23 C ATOM 368 OH TYR A 45 0.957 -2.205 32.938 1.00 17.00 O ATOM 0 H TYR A 45 2.858 3.107 27.173 1.00 13.83 H new ATOM 0 HA TYR A 45 3.326 2.567 29.803 1.00 12.59 H new ATOM 0 HB2 TYR A 45 1.109 2.338 28.956 1.00 11.92 H new ATOM 0 HB3 TYR A 45 1.596 1.233 27.970 1.00 11.92 H new ATOM 0 HD1 TYR A 45 1.289 -1.052 28.657 1.00 14.07 H new ATOM 0 HD2 TYR A 45 1.720 1.815 31.458 1.00 12.24 H new ATOM 0 HE1 TYR A 45 0.915 -2.615 30.353 1.00 13.98 H new ATOM 0 HE2 TYR A 45 1.438 0.234 33.150 1.00 15.59 H new ATOM 0 HH TYR A 45 1.017 -1.776 33.658 1.00 17.00 H new ATOM 369 N ASN A 46 4.938 0.745 29.725 1.00 12.92 N ATOM 370 CA ASN A 46 5.951 -0.298 29.847 1.00 13.50 C ATOM 371 C ASN A 46 5.262 -1.518 30.519 1.00 12.47 C ATOM 372 O ASN A 46 5.200 -1.643 31.757 1.00 11.14 O ATOM 373 CB ASN A 46 7.180 0.218 30.589 1.00 13.21 C ATOM 374 CG ASN A 46 7.669 1.518 29.970 1.00 15.08 C ATOM 375 OD1 ASN A 46 7.763 1.623 28.738 1.00 17.15 O ATOM 376 ND2 ASN A 46 7.895 2.528 30.775 1.00 15.42 N ATOM 0 H ASN A 46 4.829 1.156 30.473 1.00 12.92 H new ATOM 0 HA ASN A 46 6.294 -0.575 28.983 1.00 13.50 H new ATOM 0 HB2 ASN A 46 6.964 0.360 31.524 1.00 13.21 H new ATOM 0 HB3 ASN A 46 7.886 -0.447 30.558 1.00 13.21 H new ATOM 0 HD21 ASN A 46 8.116 3.294 30.452 1.00 15.42 H new ATOM 0 HD22 ASN A 46 7.822 2.425 31.626 1.00 15.42 H new ATOM 377 N ALA A 47 4.750 -2.378 29.633 1.00 14.35 N ATOM 378 CA ALA A 47 4.037 -3.589 30.182 1.00 14.65 C ATOM 379 C ALA A 47 4.930 -4.428 31.096 1.00 13.74 C ATOM 380 O ALA A 47 4.486 -5.049 32.078 1.00 13.12 O ATOM 381 CB ALA A 47 3.428 -4.388 29.039 1.00 13.68 C ATOM 0 H ALA A 47 4.787 -2.309 28.777 1.00 14.35 H new ATOM 0 HA ALA A 47 3.312 -3.290 30.753 1.00 14.65 H new ATOM 0 HB1 ALA A 47 2.971 -5.166 29.395 1.00 13.68 H new ATOM 0 HB2 ALA A 47 2.795 -3.833 28.558 1.00 13.68 H new ATOM 0 HB3 ALA A 47 4.130 -4.675 28.435 1.00 13.68 H new ATOM 382 N GLY A 48 6.211 -4.398 30.791 1.00 14.44 N ATOM 383 CA GLY A 48 7.323 -5.065 31.425 1.00 14.11 C ATOM 384 C GLY A 48 7.390 -4.812 32.902 1.00 13.96 C ATOM 385 O GLY A 48 7.610 -5.796 33.651 1.00 14.49 O ATOM 0 H GLY A 48 6.481 -3.927 30.124 1.00 14.44 H new ATOM 0 HA2 GLY A 48 7.254 -6.020 31.268 1.00 14.11 H new ATOM 0 HA3 GLY A 48 8.150 -4.769 31.013 1.00 14.11 H new ATOM 386 N ASP A 49 7.258 -3.565 33.366 1.00 13.29 N ATOM 387 CA ASP A 49 7.324 -3.282 34.815 1.00 11.66 C ATOM 388 C ASP A 49 6.155 -2.463 35.356 1.00 10.85 C ATOM 389 O ASP A 49 6.258 -2.038 36.513 1.00 8.95 O ATOM 390 CB ASP A 49 8.621 -2.604 35.226 1.00 13.34 C ATOM 391 CG ASP A 49 8.638 -1.160 34.718 1.00 14.99 C ATOM 392 OD1 ASP A 49 7.803 -0.763 33.925 1.00 13.88 O ATOM 393 OD2 ASP A 49 9.552 -0.499 35.211 1.00 19.46 O ATOM 0 H ASP A 49 7.131 -2.874 32.870 1.00 13.29 H new ATOM 0 HA ASP A 49 7.276 -4.166 35.212 1.00 11.66 H new ATOM 0 HB2 ASP A 49 8.710 -2.616 36.192 1.00 13.34 H new ATOM 0 HB3 ASP A 49 9.378 -3.091 34.865 1.00 13.34 H new ATOM 394 N ARG A 50 5.148 -2.267 34.531 1.00 10.58 N ATOM 395 CA ARG A 50 3.950 -1.552 34.952 1.00 12.59 C ATOM 396 C ARG A 50 4.136 -0.072 35.279 1.00 12.37 C ATOM 397 O ARG A 50 3.414 0.494 36.100 1.00 14.08 O ATOM 398 CB ARG A 50 3.279 -2.311 36.129 1.00 13.58 C ATOM 399 CG ARG A 50 2.814 -3.729 35.642 1.00 16.69 C ATOM 400 CD ARG A 50 2.166 -4.441 36.782 1.00 18.09 C ATOM 401 NE ARG A 50 1.312 -5.468 36.360 1.00 22.88 N ATOM 402 CZ ARG A 50 0.463 -6.214 35.734 1.00 22.81 C ATOM 403 NH1 ARG A 50 -0.141 -5.890 34.590 1.00 23.27 N ATOM 404 NH2 ARG A 50 0.127 -7.405 36.265 1.00 22.49 N ATOM 0 H ARG A 50 5.133 -2.540 33.716 1.00 10.58 H new ATOM 0 HA ARG A 50 3.368 -1.540 34.176 1.00 12.59 H new ATOM 0 HB2 ARG A 50 3.903 -2.400 36.866 1.00 13.58 H new ATOM 0 HB3 ARG A 50 2.519 -1.807 36.460 1.00 13.58 H new ATOM 0 HG2 ARG A 50 2.192 -3.643 34.903 1.00 16.69 H new ATOM 0 HG3 ARG A 50 3.573 -4.238 35.316 1.00 16.69 H new ATOM 0 HD2 ARG A 50 2.852 -4.812 37.359 1.00 18.09 H new ATOM 0 HD3 ARG A 50 1.663 -3.804 37.313 1.00 18.09 H new ATOM 0 HE ARG A 50 1.479 -6.014 37.003 1.00 22.88 H new ATOM 0 HH11 ARG A 50 0.026 -5.134 34.215 1.00 23.27 H new ATOM 0 HH12 ARG A 50 -0.697 -6.437 34.227 1.00 23.27 H new ATOM 0 HH21 ARG A 50 0.476 -7.658 37.009 1.00 22.49 H new ATOM 0 HH22 ARG A 50 -0.437 -7.913 35.860 1.00 22.49 H new ATOM 405 N SER A 51 5.096 0.557 34.624 1.00 11.26 N ATOM 406 CA SER A 51 5.332 2.011 34.828 1.00 9.34 C ATOM 407 C SER A 51 4.923 2.681 33.519 1.00 9.07 C ATOM 408 O SER A 51 4.775 1.964 32.510 1.00 9.22 O ATOM 409 CB SER A 51 6.813 2.206 35.176 1.00 7.96 C ATOM 410 OG SER A 51 7.597 1.951 34.002 1.00 9.76 O ATOM 0 H SER A 51 5.625 0.181 34.060 1.00 11.26 H new ATOM 0 HA SER A 51 4.822 2.401 35.555 1.00 9.34 H new ATOM 0 HB2 SER A 51 6.968 3.109 35.494 1.00 7.96 H new ATOM 0 HB3 SER A 51 7.073 1.605 35.891 1.00 7.96 H new ATOM 0 HG SER A 51 7.659 1.122 33.881 1.00 9.76 H new ATOM 411 N THR A 52 4.802 4.042 33.528 1.00 7.97 N ATOM 412 CA THR A 52 4.479 4.751 32.291 1.00 7.94 C ATOM 413 C THR A 52 5.438 5.992 32.198 1.00 8.26 C ATOM 414 O THR A 52 5.755 6.549 33.244 1.00 5.74 O ATOM 415 CB THR A 52 3.001 5.278 32.402 1.00 9.06 C ATOM 416 OG1 THR A 52 2.085 4.165 32.551 1.00 11.36 O ATOM 417 CG2 THR A 52 2.557 6.170 31.227 1.00 8.77 C ATOM 0 H THR A 52 4.902 4.540 34.222 1.00 7.97 H new ATOM 0 HA THR A 52 4.577 4.174 31.518 1.00 7.94 H new ATOM 0 HB THR A 52 2.980 5.843 33.190 1.00 9.06 H new ATOM 0 HG1 THR A 52 1.908 4.054 33.365 1.00 11.36 H new ATOM 0 HG21 THR A 52 1.640 6.455 31.365 1.00 8.77 H new ATOM 0 HG22 THR A 52 3.133 6.949 31.176 1.00 8.77 H new ATOM 0 HG23 THR A 52 2.618 5.669 30.399 1.00 8.77 H new ATOM 418 N ASP A 53 5.853 6.287 30.993 1.00 7.25 N ATOM 419 CA ASP A 53 6.730 7.415 30.627 1.00 7.88 C ATOM 420 C ASP A 53 5.830 8.602 30.216 1.00 7.80 C ATOM 421 O ASP A 53 4.974 8.390 29.346 1.00 8.40 O ATOM 422 CB ASP A 53 7.607 7.024 29.440 1.00 10.38 C ATOM 423 CG ASP A 53 8.580 5.891 29.823 1.00 10.34 C ATOM 424 OD1 ASP A 53 9.089 5.894 30.924 1.00 10.37 O ATOM 425 OD2 ASP A 53 8.744 5.112 28.873 1.00 14.87 O ATOM 0 H ASP A 53 5.626 5.816 30.310 1.00 7.25 H new ATOM 0 HA ASP A 53 7.298 7.653 31.376 1.00 7.88 H new ATOM 0 HB2 ASP A 53 7.048 6.739 28.700 1.00 10.38 H new ATOM 0 HB3 ASP A 53 8.108 7.797 29.135 1.00 10.38 H new ATOM 426 N TYR A 54 6.050 9.779 30.805 1.00 6.85 N ATOM 427 CA TYR A 54 5.169 10.902 30.481 1.00 7.20 C ATOM 428 C TYR A 54 5.837 12.159 29.916 1.00 7.19 C ATOM 429 O TYR A 54 6.883 12.591 30.439 1.00 8.30 O ATOM 430 CB TYR A 54 4.463 11.394 31.783 1.00 6.62 C ATOM 431 CG TYR A 54 3.484 10.390 32.381 1.00 8.43 C ATOM 432 CD1 TYR A 54 2.128 10.406 32.064 1.00 8.34 C ATOM 433 CD2 TYR A 54 3.920 9.417 33.293 1.00 8.07 C ATOM 434 CE1 TYR A 54 1.202 9.527 32.630 1.00 8.50 C ATOM 435 CE2 TYR A 54 3.027 8.536 33.875 1.00 6.90 C ATOM 436 CZ TYR A 54 1.688 8.580 33.526 1.00 7.66 C ATOM 437 OH TYR A 54 0.842 7.663 34.107 1.00 9.15 O ATOM 0 H TYR A 54 6.676 9.945 31.371 1.00 6.85 H new ATOM 0 HA TYR A 54 4.586 10.535 29.798 1.00 7.20 H new ATOM 0 HB2 TYR A 54 5.139 11.605 32.446 1.00 6.62 H new ATOM 0 HB3 TYR A 54 3.988 12.218 31.590 1.00 6.62 H new ATOM 0 HD1 TYR A 54 1.825 11.032 31.446 1.00 8.34 H new ATOM 0 HD2 TYR A 54 4.823 9.364 33.509 1.00 8.07 H new ATOM 0 HE1 TYR A 54 0.298 9.573 32.417 1.00 8.50 H new ATOM 0 HE2 TYR A 54 3.325 7.915 34.500 1.00 6.90 H new ATOM 0 HH TYR A 54 1.247 7.258 34.722 1.00 9.15 H new ATOM 438 N GLY A 55 5.107 12.703 28.935 1.00 8.84 N ATOM 439 CA GLY A 55 5.573 14.017 28.390 1.00 8.65 C ATOM 440 C GLY A 55 6.730 14.059 27.461 1.00 8.30 C ATOM 441 O GLY A 55 7.265 13.025 26.949 1.00 8.31 O ATOM 0 H GLY A 55 4.395 12.371 28.586 1.00 8.84 H new ATOM 0 HA2 GLY A 55 4.820 14.425 27.934 1.00 8.65 H new ATOM 0 HA3 GLY A 55 5.788 14.585 29.147 1.00 8.65 H new ATOM 442 N ILE A 56 7.081 15.335 27.194 1.00 7.25 N ATOM 443 CA ILE A 56 8.167 15.627 26.241 1.00 7.22 C ATOM 444 C ILE A 56 9.494 14.899 26.530 1.00 6.53 C ATOM 445 O ILE A 56 10.229 14.614 25.545 1.00 6.34 O ATOM 446 CB ILE A 56 8.316 17.210 26.161 1.00 5.77 C ATOM 447 CG1 ILE A 56 8.895 17.590 24.791 1.00 6.15 C ATOM 448 CG2 ILE A 56 9.083 17.725 27.390 1.00 6.71 C ATOM 449 CD1 ILE A 56 8.554 19.066 24.361 1.00 6.75 C ATOM 0 H ILE A 56 6.711 16.027 27.546 1.00 7.25 H new ATOM 0 HA ILE A 56 7.925 15.268 25.373 1.00 7.22 H new ATOM 0 HB ILE A 56 7.459 17.661 26.208 1.00 5.77 H new ATOM 0 HG12 ILE A 56 9.859 17.480 24.812 1.00 6.15 H new ATOM 0 HG13 ILE A 56 8.554 16.977 24.121 1.00 6.15 H new ATOM 0 HG21 ILE A 56 9.171 18.690 27.336 1.00 6.71 H new ATOM 0 HG22 ILE A 56 8.598 17.489 28.196 1.00 6.71 H new ATOM 0 HG23 ILE A 56 9.965 17.321 27.414 1.00 6.71 H new ATOM 0 HD11 ILE A 56 8.944 19.248 23.492 1.00 6.75 H new ATOM 0 HD12 ILE A 56 7.591 19.175 24.312 1.00 6.75 H new ATOM 0 HD13 ILE A 56 8.916 19.685 25.014 1.00 6.75 H new ATOM 450 N PHE A 57 9.775 14.689 27.800 1.00 4.08 N ATOM 451 CA PHE A 57 11.033 14.038 28.153 1.00 6.60 C ATOM 452 C PHE A 57 10.853 12.541 28.529 1.00 6.84 C ATOM 453 O PHE A 57 11.839 11.939 28.999 1.00 7.27 O ATOM 454 CB PHE A 57 11.763 14.762 29.254 1.00 9.38 C ATOM 455 CG PHE A 57 12.283 16.139 28.908 1.00 11.39 C ATOM 456 CD1 PHE A 57 11.840 17.223 29.681 1.00 13.75 C ATOM 457 CD2 PHE A 57 13.169 16.348 27.860 1.00 10.73 C ATOM 458 CE1 PHE A 57 12.277 18.505 29.448 1.00 12.92 C ATOM 459 CE2 PHE A 57 13.644 17.636 27.602 1.00 13.11 C ATOM 460 CZ PHE A 57 13.184 18.700 28.398 1.00 12.76 C ATOM 0 H PHE A 57 9.271 14.906 28.462 1.00 4.08 H new ATOM 0 HA PHE A 57 11.575 14.078 27.349 1.00 6.60 H new ATOM 0 HB2 PHE A 57 11.167 14.842 30.015 1.00 9.38 H new ATOM 0 HB3 PHE A 57 12.512 14.214 29.537 1.00 9.38 H new ATOM 0 HD1 PHE A 57 11.234 17.070 30.370 1.00 13.75 H new ATOM 0 HD2 PHE A 57 13.445 15.634 27.332 1.00 10.73 H new ATOM 0 HE1 PHE A 57 11.982 19.217 29.968 1.00 12.92 H new ATOM 0 HE2 PHE A 57 14.254 17.787 26.916 1.00 13.11 H new ATOM 0 HZ PHE A 57 13.491 19.560 28.222 1.00 12.76 H new ATOM 461 N GLN A 58 9.634 12.054 28.381 1.00 7.18 N ATOM 462 CA GLN A 58 9.289 10.643 28.737 1.00 7.12 C ATOM 463 C GLN A 58 9.833 10.266 30.109 1.00 7.49 C ATOM 464 O GLN A 58 10.643 9.334 30.352 1.00 5.81 O ATOM 465 CB GLN A 58 9.741 9.672 27.665 1.00 6.44 C ATOM 466 CG GLN A 58 8.980 9.805 26.361 1.00 9.02 C ATOM 467 CD GLN A 58 7.561 9.296 26.483 1.00 10.27 C ATOM 468 OE1 GLN A 58 7.336 8.078 26.356 1.00 10.67 O ATOM 469 NE2 GLN A 58 6.594 10.176 26.758 1.00 8.13 N ATOM 0 H GLN A 58 8.973 12.511 28.075 1.00 7.18 H new ATOM 0 HA GLN A 58 8.322 10.583 28.786 1.00 7.12 H new ATOM 0 HB2 GLN A 58 10.686 9.809 27.494 1.00 6.44 H new ATOM 0 HB3 GLN A 58 9.641 8.766 27.997 1.00 6.44 H new ATOM 0 HG2 GLN A 58 8.967 10.736 26.088 1.00 9.02 H new ATOM 0 HG3 GLN A 58 9.442 9.311 25.665 1.00 9.02 H new ATOM 0 HE21 GLN A 58 6.783 11.011 26.839 1.00 8.13 H new ATOM 0 HE22 GLN A 58 5.783 9.907 26.854 1.00 8.13 H new ATOM 470 N ILE A 59 9.388 11.013 31.084 1.00 6.84 N ATOM 471 CA ILE A 59 9.770 10.826 32.494 1.00 8.50 C ATOM 472 C ILE A 59 8.954 9.671 33.087 1.00 7.51 C ATOM 473 O ILE A 59 7.737 9.704 33.026 1.00 7.56 O ATOM 474 CB ILE A 59 9.628 12.170 33.273 1.00 8.74 C ATOM 475 CG1 ILE A 59 10.722 13.163 32.699 1.00 10.19 C ATOM 476 CG2 ILE A 59 9.811 12.020 34.807 1.00 10.93 C ATOM 477 CD1 ILE A 59 10.510 14.562 33.337 1.00 11.98 C ATOM 0 H ILE A 59 8.840 11.665 30.961 1.00 6.84 H new ATOM 0 HA ILE A 59 10.704 10.577 32.569 1.00 8.50 H new ATOM 0 HB ILE A 59 8.726 12.503 33.146 1.00 8.74 H new ATOM 0 HG12 ILE A 59 11.612 12.834 32.899 1.00 10.19 H new ATOM 0 HG13 ILE A 59 10.651 13.220 31.733 1.00 10.19 H new ATOM 0 HG21 ILE A 59 9.711 12.887 35.231 1.00 10.93 H new ATOM 0 HG22 ILE A 59 9.141 11.411 35.155 1.00 10.93 H new ATOM 0 HG23 ILE A 59 10.695 11.668 34.995 1.00 10.93 H new ATOM 0 HD11 ILE A 59 11.175 15.179 32.993 1.00 11.98 H new ATOM 0 HD12 ILE A 59 9.623 14.887 33.117 1.00 11.98 H new ATOM 0 HD13 ILE A 59 10.600 14.495 34.301 1.00 11.98 H new ATOM 478 N ASN A 60 9.641 8.760 33.709 1.00 6.59 N ATOM 479 CA ASN A 60 9.058 7.526 34.266 1.00 7.63 C ATOM 480 C ASN A 60 8.379 7.658 35.609 1.00 7.11 C ATOM 481 O ASN A 60 8.929 8.298 36.501 1.00 9.21 O ATOM 482 CB ASN A 60 10.156 6.430 34.216 1.00 7.73 C ATOM 483 CG ASN A 60 9.507 5.059 34.426 1.00 7.80 C ATOM 484 OD1 ASN A 60 9.597 4.636 35.583 1.00 11.51 O ATOM 485 ND2 ASN A 60 8.960 4.429 33.410 1.00 9.73 N ATOM 0 H ASN A 60 10.489 8.822 33.835 1.00 6.59 H new ATOM 0 HA ASN A 60 8.303 7.273 33.712 1.00 7.63 H new ATOM 0 HB2 ASN A 60 10.615 6.455 33.362 1.00 7.73 H new ATOM 0 HB3 ASN A 60 10.823 6.593 34.901 1.00 7.73 H new ATOM 0 HD21 ASN A 60 8.622 3.646 33.521 1.00 9.73 H new ATOM 0 HD22 ASN A 60 8.940 4.800 32.634 1.00 9.73 H new ATOM 486 N SER A 61 7.204 7.054 35.720 1.00 7.09 N ATOM 487 CA SER A 61 6.361 7.065 36.898 1.00 7.90 C ATOM 488 C SER A 61 6.915 6.249 38.057 1.00 8.82 C ATOM 489 O SER A 61 6.460 6.463 39.184 1.00 8.44 O ATOM 490 CB SER A 61 4.948 6.616 36.511 1.00 7.37 C ATOM 491 OG SER A 61 4.945 5.238 36.137 1.00 9.90 O ATOM 0 H SER A 61 6.861 6.603 35.073 1.00 7.09 H new ATOM 0 HA SER A 61 6.335 7.976 37.229 1.00 7.90 H new ATOM 0 HB2 SER A 61 4.343 6.756 37.256 1.00 7.37 H new ATOM 0 HB3 SER A 61 4.621 7.157 35.775 1.00 7.37 H new ATOM 0 HG SER A 61 4.404 4.817 36.622 1.00 9.90 H new ATOM 492 N ARG A 62 7.867 5.321 37.826 1.00 9.66 N ATOM 493 CA ARG A 62 8.364 4.583 39.007 1.00 11.45 C ATOM 494 C ARG A 62 9.112 5.489 39.958 1.00 12.85 C ATOM 495 O ARG A 62 9.052 5.203 41.171 1.00 13.60 O ATOM 496 CB ARG A 62 9.284 3.414 38.653 1.00 13.21 C ATOM 497 CG ARG A 62 9.805 2.731 39.937 1.00 16.88 C ATOM 498 CD ARG A 62 9.910 1.247 39.812 1.00 19.25 C ATOM 499 NE ARG A 62 8.582 0.587 39.802 1.00 20.07 N ATOM 500 CZ ARG A 62 8.210 -0.051 38.666 1.00 20.86 C ATOM 501 NH1 ARG A 62 9.064 -0.141 37.639 1.00 21.29 N ATOM 502 NH2 ARG A 62 6.971 -0.541 38.604 1.00 18.22 N ATOM 0 H ARG A 62 8.212 5.117 37.065 1.00 9.66 H new ATOM 0 HA ARG A 62 7.564 4.232 39.429 1.00 11.45 H new ATOM 0 HB2 ARG A 62 8.804 2.770 38.109 1.00 13.21 H new ATOM 0 HB3 ARG A 62 10.031 3.732 38.123 1.00 13.21 H new ATOM 0 HG2 ARG A 62 10.677 3.094 40.158 1.00 16.88 H new ATOM 0 HG3 ARG A 62 9.213 2.947 40.674 1.00 16.88 H new ATOM 0 HD2 ARG A 62 10.385 1.026 38.995 1.00 19.25 H new ATOM 0 HD3 ARG A 62 10.436 0.899 40.549 1.00 19.25 H new ATOM 0 HE ARG A 62 8.068 0.608 40.491 1.00 20.07 H new ATOM 0 HH11 ARG A 62 9.848 0.206 37.700 1.00 21.29 H new ATOM 0 HH12 ARG A 62 8.828 -0.546 36.918 1.00 21.29 H new ATOM 0 HH21 ARG A 62 6.437 -0.447 39.272 1.00 18.22 H new ATOM 0 HH22 ARG A 62 6.706 -0.951 37.896 1.00 18.22 H new ATOM 503 N TYR A 63 9.847 6.518 39.482 1.00 13.40 N ATOM 504 CA TYR A 63 10.627 7.313 40.423 1.00 13.35 C ATOM 505 C TYR A 63 10.397 8.814 40.451 1.00 12.80 C ATOM 506 O TYR A 63 10.755 9.375 41.520 1.00 12.29 O ATOM 507 CB TYR A 63 12.157 7.173 40.173 1.00 18.17 C ATOM 508 CG TYR A 63 12.566 5.774 39.771 1.00 21.80 C ATOM 509 CD1 TYR A 63 12.494 5.386 38.431 1.00 22.62 C ATOM 510 CD2 TYR A 63 12.992 4.844 40.723 1.00 23.93 C ATOM 511 CE1 TYR A 63 12.831 4.091 38.062 1.00 25.47 C ATOM 512 CE2 TYR A 63 13.351 3.539 40.364 1.00 24.73 C ATOM 513 CZ TYR A 63 13.264 3.191 39.034 1.00 25.20 C ATOM 514 OH TYR A 63 13.593 1.916 38.649 1.00 29.31 O ATOM 0 H TYR A 63 9.900 6.755 38.657 1.00 13.40 H new ATOM 0 HA TYR A 63 10.312 6.938 41.260 1.00 13.35 H new ATOM 0 HB2 TYR A 63 12.424 7.795 39.478 1.00 18.17 H new ATOM 0 HB3 TYR A 63 12.635 7.425 40.978 1.00 18.17 H new ATOM 0 HD1 TYR A 63 12.220 5.996 37.785 1.00 22.62 H new ATOM 0 HD2 TYR A 63 13.038 5.098 41.616 1.00 23.93 H new ATOM 0 HE1 TYR A 63 12.768 3.826 37.173 1.00 25.47 H new ATOM 0 HE2 TYR A 63 13.639 2.927 41.003 1.00 24.73 H new ATOM 0 HH TYR A 63 13.838 1.475 39.321 1.00 29.31 H new ATOM 515 N TRP A 64 9.882 9.353 39.368 1.00 10.70 N ATOM 516 CA TRP A 64 9.735 10.803 39.263 1.00 10.65 C ATOM 517 C TRP A 64 8.412 11.503 39.440 1.00 10.38 C ATOM 518 O TRP A 64 8.471 12.656 39.921 1.00 11.33 O ATOM 519 CB TRP A 64 10.363 11.257 37.909 1.00 9.85 C ATOM 520 CG TRP A 64 11.665 10.578 37.689 1.00 9.92 C ATOM 521 CD1 TRP A 64 11.958 9.577 36.810 1.00 9.54 C ATOM 522 CD2 TRP A 64 12.879 10.831 38.435 1.00 10.43 C ATOM 523 NE1 TRP A 64 13.265 9.201 36.922 1.00 9.38 N ATOM 524 CE2 TRP A 64 13.857 9.969 37.913 1.00 10.58 C ATOM 525 CE3 TRP A 64 13.209 11.750 39.427 1.00 9.30 C ATOM 526 CZ2 TRP A 64 15.171 9.961 38.378 1.00 10.98 C ATOM 527 CZ3 TRP A 64 14.503 11.745 39.894 1.00 11.45 C ATOM 528 CH2 TRP A 64 15.455 10.841 39.403 1.00 10.79 C ATOM 0 H TRP A 64 9.611 8.909 38.683 1.00 10.70 H new ATOM 0 HA TRP A 64 10.183 11.086 40.075 1.00 10.65 H new ATOM 0 HB2 TRP A 64 9.757 11.052 37.180 1.00 9.85 H new ATOM 0 HB3 TRP A 64 10.489 12.219 37.911 1.00 9.85 H new ATOM 0 HD1 TRP A 64 11.350 9.202 36.215 1.00 9.54 H new ATOM 0 HE1 TRP A 64 13.655 8.592 36.457 1.00 9.38 H new ATOM 0 HE3 TRP A 64 12.578 12.345 39.762 1.00 9.30 H new ATOM 0 HZ2 TRP A 64 15.817 9.397 38.019 1.00 10.98 H new ATOM 0 HZ3 TRP A 64 14.752 12.355 40.550 1.00 11.45 H new ATOM 0 HH2 TRP A 64 16.305 10.834 39.780 1.00 10.79 H new ATOM 529 N CYS A 65 7.299 10.890 39.102 1.00 9.70 N ATOM 530 CA CYS A 65 5.990 11.571 39.284 1.00 8.31 C ATOM 531 C CYS A 65 5.018 10.546 39.842 1.00 8.19 C ATOM 532 O CYS A 65 5.284 9.351 39.683 1.00 10.05 O ATOM 533 CB CYS A 65 5.555 12.143 37.953 1.00 6.74 C ATOM 534 SG CYS A 65 5.260 11.001 36.588 1.00 8.97 S ATOM 0 H CYS A 65 7.256 10.097 38.771 1.00 9.70 H new ATOM 0 HA CYS A 65 6.036 12.312 39.908 1.00 8.31 H new ATOM 0 HB2 CYS A 65 4.739 12.646 38.100 1.00 6.74 H new ATOM 0 HB3 CYS A 65 6.232 12.777 37.668 1.00 6.74 H new ATOM 535 N ASN A 66 3.925 10.946 40.394 1.00 8.26 N ATOM 536 CA ASN A 66 2.926 10.017 40.918 1.00 9.00 C ATOM 537 C ASN A 66 1.754 9.829 39.959 1.00 8.35 C ATOM 538 O ASN A 66 1.075 10.816 39.661 1.00 6.80 O ATOM 539 CB ASN A 66 2.419 10.404 42.323 1.00 9.74 C ATOM 540 CG ASN A 66 1.393 9.350 42.819 1.00 12.09 C ATOM 541 OD1 ASN A 66 1.672 8.142 42.711 1.00 11.29 O ATOM 542 ND2 ASN A 66 0.261 9.840 43.312 1.00 11.39 N ATOM 0 H ASN A 66 3.716 11.775 40.488 1.00 8.26 H new ATOM 0 HA ASN A 66 3.386 9.167 41.003 1.00 9.00 H new ATOM 0 HB2 ASN A 66 3.164 10.459 42.941 1.00 9.74 H new ATOM 0 HB3 ASN A 66 2.007 11.282 42.297 1.00 9.74 H new ATOM 0 HD21 ASN A 66 -0.354 9.306 43.590 1.00 11.39 H new ATOM 0 HD22 ASN A 66 0.143 10.691 43.354 1.00 11.39 H new ATOM 543 N ASP A 67 1.519 8.564 39.586 1.00 7.88 N ATOM 544 CA ASP A 67 0.338 8.235 38.760 1.00 7.93 C ATOM 545 C ASP A 67 -0.611 7.280 39.537 1.00 8.04 C ATOM 546 O ASP A 67 -1.686 6.846 39.085 1.00 8.14 O ATOM 547 CB ASP A 67 0.619 7.788 37.352 1.00 8.01 C ATOM 548 CG ASP A 67 1.328 6.450 37.233 1.00 8.22 C ATOM 549 OD1 ASP A 67 1.591 5.771 38.258 1.00 9.73 O ATOM 550 OD2 ASP A 67 1.587 6.128 36.079 1.00 9.00 O ATOM 0 H ASP A 67 2.016 7.893 39.793 1.00 7.88 H new ATOM 0 HA ASP A 67 -0.120 9.077 38.611 1.00 7.93 H new ATOM 0 HB2 ASP A 67 -0.221 7.738 36.869 1.00 8.01 H new ATOM 0 HB3 ASP A 67 1.158 8.465 36.914 1.00 8.01 H new ATOM 551 N GLY A 68 -0.233 6.943 40.757 1.00 8.49 N ATOM 552 CA GLY A 68 -0.947 6.059 41.636 1.00 10.66 C ATOM 553 C GLY A 68 -0.957 4.576 41.249 1.00 10.34 C ATOM 554 O GLY A 68 -0.907 3.728 42.163 1.00 11.56 O ATOM 0 H GLY A 68 0.491 7.245 41.109 1.00 8.49 H new ATOM 0 HA2 GLY A 68 -0.565 6.139 42.524 1.00 10.66 H new ATOM 0 HA3 GLY A 68 -1.866 6.364 41.694 1.00 10.66 H new ATOM 555 N LYS A 69 -0.969 4.234 40.000 1.00 10.13 N ATOM 556 CA LYS A 69 -1.050 2.891 39.480 1.00 10.84 C ATOM 557 C LYS A 69 0.289 2.215 39.338 1.00 11.95 C ATOM 558 O LYS A 69 0.253 0.991 39.031 1.00 11.68 O ATOM 559 CB LYS A 69 -1.858 2.801 38.186 1.00 11.52 C ATOM 560 CG LYS A 69 -1.195 3.474 36.977 1.00 11.77 C ATOM 561 CD LYS A 69 -1.979 3.251 35.684 1.00 13.41 C ATOM 562 CE LYS A 69 -1.515 4.291 34.684 1.00 15.30 C ATOM 563 NZ LYS A 69 -2.366 4.470 33.511 1.00 19.05 N ATOM 0 H LYS A 69 -0.927 4.822 39.373 1.00 10.13 H new ATOM 0 HA LYS A 69 -1.536 2.396 40.158 1.00 10.84 H new ATOM 0 HB2 LYS A 69 -2.012 1.866 37.978 1.00 11.52 H new ATOM 0 HB3 LYS A 69 -2.727 3.206 38.331 1.00 11.52 H new ATOM 0 HG2 LYS A 69 -1.115 4.426 37.144 1.00 11.77 H new ATOM 0 HG3 LYS A 69 -0.295 3.128 36.870 1.00 11.77 H new ATOM 0 HD2 LYS A 69 -1.825 2.356 35.342 1.00 13.41 H new ATOM 0 HD3 LYS A 69 -2.932 3.333 35.844 1.00 13.41 H new ATOM 0 HE2 LYS A 69 -1.440 5.143 35.141 1.00 15.30 H new ATOM 0 HE3 LYS A 69 -0.625 4.051 34.383 1.00 15.30 H new ATOM 0 HZ1 LYS A 69 -2.110 5.198 33.067 1.00 19.05 H new ATOM 0 HZ2 LYS A 69 -2.295 3.759 32.981 1.00 19.05 H new ATOM 0 HZ3 LYS A 69 -3.213 4.563 33.770 1.00 19.05 H new ATOM 564 N THR A 70 1.408 2.868 39.553 1.00 10.45 N ATOM 565 CA THR A 70 2.692 2.158 39.406 1.00 9.76 C ATOM 566 C THR A 70 3.061 1.547 40.737 1.00 10.17 C ATOM 567 O THR A 70 3.181 2.233 41.754 1.00 10.24 O ATOM 568 CB THR A 70 3.799 3.144 38.871 1.00 11.51 C ATOM 569 OG1 THR A 70 3.181 3.772 37.684 1.00 11.54 O ATOM 570 CG2 THR A 70 5.134 2.442 38.586 1.00 9.04 C ATOM 0 H THR A 70 1.464 3.696 39.778 1.00 10.45 H new ATOM 0 HA THR A 70 2.615 1.444 38.754 1.00 9.76 H new ATOM 0 HB THR A 70 4.053 3.810 39.528 1.00 11.51 H new ATOM 0 HG1 THR A 70 2.683 4.403 37.928 1.00 11.54 H new ATOM 0 HG21 THR A 70 5.778 3.090 38.261 1.00 9.04 H new ATOM 0 HG22 THR A 70 5.468 2.037 39.402 1.00 9.04 H new ATOM 0 HG23 THR A 70 5.001 1.754 37.915 1.00 9.04 H new ATOM 571 N PRO A 71 3.217 0.216 40.766 1.00 11.74 N ATOM 572 CA PRO A 71 3.558 -0.460 42.025 1.00 12.72 C ATOM 573 C PRO A 71 4.946 -0.123 42.531 1.00 12.39 C ATOM 574 O PRO A 71 5.851 -0.159 41.691 1.00 12.98 O ATOM 575 CB PRO A 71 3.497 -1.965 41.716 1.00 12.64 C ATOM 576 CG PRO A 71 3.178 -2.105 40.261 1.00 13.25 C ATOM 577 CD PRO A 71 3.078 -0.706 39.644 1.00 12.47 C ATOM 0 HA PRO A 71 2.941 -0.176 42.718 1.00 12.72 H new ATOM 0 HB2 PRO A 71 4.343 -2.392 41.924 1.00 12.64 H new ATOM 0 HB3 PRO A 71 2.820 -2.399 42.258 1.00 12.64 H new ATOM 0 HG2 PRO A 71 3.867 -2.621 39.814 1.00 13.25 H new ATOM 0 HG3 PRO A 71 2.343 -2.585 40.144 1.00 13.25 H new ATOM 0 HD2 PRO A 71 3.775 -0.563 38.984 1.00 12.47 H new ATOM 0 HD3 PRO A 71 2.229 -0.582 39.191 1.00 12.47 H new ATOM 578 N GLY A 72 5.067 0.142 43.806 1.00 12.54 N ATOM 579 CA GLY A 72 6.352 0.438 44.434 1.00 16.31 C ATOM 580 C GLY A 72 7.078 1.642 43.870 1.00 16.76 C ATOM 581 O GLY A 72 8.309 1.686 43.693 1.00 18.80 O ATOM 0 H GLY A 72 4.402 0.158 44.351 1.00 12.54 H new ATOM 0 HA2 GLY A 72 6.208 0.579 45.383 1.00 16.31 H new ATOM 0 HA3 GLY A 72 6.926 -0.339 44.347 1.00 16.31 H new ATOM 582 N ALA A 73 6.320 2.668 43.555 1.00 17.90 N ATOM 583 CA ALA A 73 6.910 3.892 42.965 1.00 17.80 C ATOM 584 C ALA A 73 7.119 5.003 43.985 1.00 17.14 C ATOM 585 O ALA A 73 6.529 4.997 45.065 1.00 16.77 O ATOM 586 CB ALA A 73 5.967 4.358 41.845 1.00 18.10 C ATOM 0 H ALA A 73 5.468 2.695 43.666 1.00 17.90 H new ATOM 0 HA ALA A 73 7.793 3.683 42.622 1.00 17.80 H new ATOM 0 HB1 ALA A 73 6.324 5.161 41.435 1.00 18.10 H new ATOM 0 HB2 ALA A 73 5.890 3.660 41.176 1.00 18.10 H new ATOM 0 HB3 ALA A 73 5.091 4.547 42.217 1.00 18.10 H new ATOM 587 N VAL A 74 8.004 5.905 43.565 1.00 15.77 N ATOM 588 CA VAL A 74 8.334 7.097 44.338 1.00 15.04 C ATOM 589 C VAL A 74 8.020 8.311 43.389 1.00 13.87 C ATOM 590 O VAL A 74 7.822 8.126 42.186 1.00 11.94 O ATOM 591 CB VAL A 74 9.733 7.090 44.953 1.00 13.50 C ATOM 592 CG1 VAL A 74 9.744 6.115 46.144 1.00 15.17 C ATOM 593 CG2 VAL A 74 10.825 6.808 43.947 1.00 14.46 C ATOM 0 H VAL A 74 8.431 5.841 42.821 1.00 15.77 H new ATOM 0 HA VAL A 74 7.795 7.152 45.143 1.00 15.04 H new ATOM 0 HB VAL A 74 9.936 7.982 45.275 1.00 13.50 H new ATOM 0 HG11 VAL A 74 10.628 6.102 46.543 1.00 15.17 H new ATOM 0 HG12 VAL A 74 9.095 6.404 46.805 1.00 15.17 H new ATOM 0 HG13 VAL A 74 9.516 5.224 45.835 1.00 15.17 H new ATOM 0 HG21 VAL A 74 11.686 6.816 44.393 1.00 14.46 H new ATOM 0 HG22 VAL A 74 10.678 5.938 43.545 1.00 14.46 H new ATOM 0 HG23 VAL A 74 10.813 7.489 43.256 1.00 14.46 H new ATOM 594 N ASN A 75 7.962 9.462 44.053 1.00 12.09 N ATOM 595 CA ASN A 75 7.611 10.705 43.280 1.00 12.24 C ATOM 596 C ASN A 75 8.673 11.746 43.625 1.00 12.06 C ATOM 597 O ASN A 75 8.325 12.677 44.395 1.00 11.89 O ATOM 598 CB ASN A 75 6.164 11.005 43.697 1.00 10.42 C ATOM 599 CG ASN A 75 5.579 12.297 43.233 1.00 10.10 C ATOM 600 OD1 ASN A 75 6.172 12.851 42.299 1.00 11.14 O ATOM 601 ND2 ASN A 75 4.496 12.836 43.802 1.00 11.03 N ATOM 0 H ASN A 75 8.108 9.567 44.894 1.00 12.09 H new ATOM 0 HA ASN A 75 7.624 10.656 42.311 1.00 12.24 H new ATOM 0 HB2 ASN A 75 5.601 10.285 43.372 1.00 10.42 H new ATOM 0 HB3 ASN A 75 6.119 10.984 44.666 1.00 10.42 H new ATOM 0 HD21 ASN A 75 4.192 13.590 43.520 1.00 11.03 H new ATOM 0 HD22 ASN A 75 4.103 12.429 44.450 1.00 11.03 H new ATOM 602 N ALA A 76 9.891 11.597 43.121 1.00 10.88 N ATOM 603 CA ALA A 76 10.947 12.538 43.468 1.00 11.72 C ATOM 604 C ALA A 76 10.698 13.966 42.995 1.00 13.51 C ATOM 605 O ALA A 76 11.245 14.896 43.645 1.00 12.97 O ATOM 606 CB ALA A 76 12.342 12.033 43.113 1.00 12.43 C ATOM 0 H ALA A 76 10.125 10.967 42.584 1.00 10.88 H new ATOM 0 HA ALA A 76 10.915 12.588 44.436 1.00 11.72 H new ATOM 0 HB1 ALA A 76 13.001 12.698 43.366 1.00 12.43 H new ATOM 0 HB2 ALA A 76 12.518 11.207 43.589 1.00 12.43 H new ATOM 0 HB3 ALA A 76 12.395 11.873 42.158 1.00 12.43 H new ATOM 607 N CYS A 77 9.969 14.172 41.910 1.00 12.77 N ATOM 608 CA CYS A 77 9.725 15.552 41.449 1.00 12.05 C ATOM 609 C CYS A 77 8.557 16.181 42.183 1.00 12.71 C ATOM 610 O CYS A 77 8.236 17.392 41.995 1.00 12.96 O ATOM 611 CB CYS A 77 9.498 15.464 39.925 1.00 9.16 C ATOM 612 SG CYS A 77 10.986 15.133 38.953 1.00 9.13 S ATOM 0 H CYS A 77 9.611 13.554 41.431 1.00 12.77 H new ATOM 0 HA CYS A 77 10.479 16.131 41.640 1.00 12.05 H new ATOM 0 HB2 CYS A 77 8.849 14.765 39.747 1.00 9.16 H new ATOM 0 HB3 CYS A 77 9.107 16.298 39.620 1.00 9.16 H new ATOM 613 N HIS A 78 7.868 15.439 43.016 1.00 11.78 N ATOM 614 CA HIS A 78 6.721 15.946 43.769 1.00 13.23 C ATOM 615 C HIS A 78 5.626 16.475 42.884 1.00 13.19 C ATOM 616 O HIS A 78 4.988 17.503 43.150 1.00 13.26 O ATOM 617 CB HIS A 78 7.130 17.047 44.808 1.00 17.00 C ATOM 618 CG HIS A 78 8.268 16.447 45.590 1.00 18.66 C ATOM 619 ND1 HIS A 78 9.527 16.977 45.676 1.00 21.69 N ATOM 620 CD2 HIS A 78 8.270 15.256 46.235 1.00 19.11 C ATOM 621 CE1 HIS A 78 10.253 16.139 46.427 1.00 22.20 C ATOM 622 NE2 HIS A 78 9.519 15.086 46.761 1.00 19.86 N ATOM 0 H HIS A 78 8.047 14.612 43.171 1.00 11.78 H new ATOM 0 HA HIS A 78 6.376 15.176 44.248 1.00 13.23 H new ATOM 0 HB2 HIS A 78 7.403 17.865 44.363 1.00 17.00 H new ATOM 0 HB3 HIS A 78 6.387 17.274 45.389 1.00 17.00 H new ATOM 0 HD2 HIS A 78 7.555 14.665 46.306 1.00 19.11 H new ATOM 0 HE1 HIS A 78 11.138 16.275 46.677 1.00 22.20 H new ATOM 0 HE2 HIS A 78 9.783 14.414 47.227 1.00 19.86 H new ATOM 623 N LEU A 79 5.351 15.752 41.813 1.00 12.14 N ATOM 624 CA LEU A 79 4.301 16.113 40.880 1.00 12.24 C ATOM 625 C LEU A 79 3.354 14.945 40.513 1.00 11.51 C ATOM 626 O LEU A 79 3.736 13.772 40.552 1.00 9.68 O ATOM 627 CB LEU A 79 5.023 16.477 39.561 1.00 15.04 C ATOM 628 CG LEU A 79 5.915 17.676 39.420 1.00 16.76 C ATOM 629 CD1 LEU A 79 6.504 17.663 37.995 1.00 16.53 C ATOM 630 CD2 LEU A 79 5.093 18.966 39.613 1.00 16.76 C ATOM 0 H LEU A 79 5.772 15.032 41.605 1.00 12.14 H new ATOM 0 HA LEU A 79 3.772 16.816 41.288 1.00 12.24 H new ATOM 0 HB2 LEU A 79 5.559 15.706 39.319 1.00 15.04 H new ATOM 0 HB3 LEU A 79 4.333 16.567 38.885 1.00 15.04 H new ATOM 0 HG LEU A 79 6.619 17.648 40.086 1.00 16.76 H new ATOM 0 HD11 LEU A 79 7.086 18.430 37.878 1.00 16.53 H new ATOM 0 HD12 LEU A 79 7.013 16.848 37.863 1.00 16.53 H new ATOM 0 HD13 LEU A 79 5.784 17.702 37.347 1.00 16.53 H new ATOM 0 HD21 LEU A 79 5.674 19.737 39.521 1.00 16.76 H new ATOM 0 HD22 LEU A 79 4.393 19.007 38.943 1.00 16.76 H new ATOM 0 HD23 LEU A 79 4.694 18.966 40.497 1.00 16.76 H new ATOM 631 N SER A 80 2.167 15.381 40.110 1.00 9.68 N ATOM 632 CA SER A 80 1.195 14.401 39.579 1.00 10.02 C ATOM 633 C SER A 80 1.807 14.185 38.169 1.00 10.58 C ATOM 634 O SER A 80 2.348 15.157 37.571 1.00 10.22 O ATOM 635 CB SER A 80 -0.207 14.966 39.445 1.00 9.47 C ATOM 636 OG SER A 80 -0.998 14.178 38.575 1.00 9.87 O ATOM 0 H SER A 80 1.903 16.199 40.129 1.00 9.68 H new ATOM 0 HA SER A 80 1.083 13.616 40.138 1.00 10.02 H new ATOM 0 HB2 SER A 80 -0.626 15.007 40.319 1.00 9.47 H new ATOM 0 HB3 SER A 80 -0.161 15.875 39.110 1.00 9.47 H new ATOM 0 HG SER A 80 -1.227 13.471 38.967 1.00 9.87 H new ATOM 637 N CYS A 81 1.739 12.960 37.642 1.00 9.84 N ATOM 638 CA CYS A 81 2.263 12.679 36.305 1.00 7.22 C ATOM 639 C CYS A 81 1.484 13.517 35.298 1.00 7.50 C ATOM 640 O CYS A 81 2.000 13.821 34.198 1.00 7.02 O ATOM 641 CB CYS A 81 2.236 11.188 35.948 1.00 6.84 C ATOM 642 SG CYS A 81 3.438 10.249 36.948 1.00 6.94 S ATOM 0 H CYS A 81 1.394 12.281 38.042 1.00 9.84 H new ATOM 0 HA CYS A 81 3.202 12.923 36.284 1.00 7.22 H new ATOM 0 HB2 CYS A 81 1.344 10.834 36.093 1.00 6.84 H new ATOM 0 HB3 CYS A 81 2.437 11.075 35.006 1.00 6.84 H new ATOM 643 N SER A 82 0.271 13.862 35.691 1.00 8.09 N ATOM 644 CA SER A 82 -0.594 14.709 34.850 1.00 8.44 C ATOM 645 C SER A 82 0.130 16.020 34.483 1.00 7.98 C ATOM 646 O SER A 82 -0.026 16.507 33.333 1.00 8.76 O ATOM 647 CB SER A 82 -1.865 15.113 35.651 1.00 9.63 C ATOM 648 OG SER A 82 -2.732 15.761 34.675 1.00 13.39 O ATOM 0 H SER A 82 -0.081 13.622 36.438 1.00 8.09 H new ATOM 0 HA SER A 82 -0.819 14.205 34.052 1.00 8.44 H new ATOM 0 HB2 SER A 82 -2.295 14.337 36.043 1.00 9.63 H new ATOM 0 HB3 SER A 82 -1.645 15.714 36.380 1.00 9.63 H new ATOM 0 HG SER A 82 -2.647 16.595 34.734 1.00 13.39 H new ATOM 649 N ALA A 83 0.883 16.527 35.431 1.00 8.77 N ATOM 650 CA ALA A 83 1.600 17.802 35.255 1.00 8.67 C ATOM 651 C ALA A 83 2.541 17.801 34.068 1.00 10.05 C ATOM 652 O ALA A 83 2.825 18.881 33.480 1.00 11.00 O ATOM 653 CB ALA A 83 2.315 18.250 36.502 1.00 6.83 C ATOM 0 H ALA A 83 1.003 16.156 36.197 1.00 8.77 H new ATOM 0 HA ALA A 83 0.904 18.451 35.068 1.00 8.67 H new ATOM 0 HB1 ALA A 83 2.768 19.090 36.331 1.00 6.83 H new ATOM 0 HB2 ALA A 83 1.672 18.370 37.219 1.00 6.83 H new ATOM 0 HB3 ALA A 83 2.966 17.579 36.761 1.00 6.83 H new ATOM 654 N LEU A 84 3.025 16.616 33.692 1.00 9.52 N ATOM 655 CA LEU A 84 3.943 16.414 32.583 1.00 8.83 C ATOM 656 C LEU A 84 3.255 16.207 31.260 1.00 9.40 C ATOM 657 O LEU A 84 3.934 15.805 30.291 1.00 10.34 O ATOM 658 CB LEU A 84 4.894 15.230 32.923 1.00 7.82 C ATOM 659 CG LEU A 84 5.565 15.219 34.265 1.00 8.41 C ATOM 660 CD1 LEU A 84 6.402 13.925 34.453 1.00 9.57 C ATOM 661 CD2 LEU A 84 6.517 16.374 34.422 1.00 8.40 C ATOM 0 H LEU A 84 2.817 15.885 34.094 1.00 9.52 H new ATOM 0 HA LEU A 84 4.456 17.230 32.473 1.00 8.83 H new ATOM 0 HB2 LEU A 84 4.385 14.409 32.840 1.00 7.82 H new ATOM 0 HB3 LEU A 84 5.587 15.204 32.245 1.00 7.82 H new ATOM 0 HG LEU A 84 4.854 15.277 34.922 1.00 8.41 H new ATOM 0 HD11 LEU A 84 6.827 13.938 35.325 1.00 9.57 H new ATOM 0 HD12 LEU A 84 5.821 13.151 34.388 1.00 9.57 H new ATOM 0 HD13 LEU A 84 7.082 13.876 33.763 1.00 9.57 H new ATOM 0 HD21 LEU A 84 6.931 16.335 35.298 1.00 8.40 H new ATOM 0 HD22 LEU A 84 7.203 16.324 33.738 1.00 8.40 H new ATOM 0 HD23 LEU A 84 6.031 17.209 34.331 1.00 8.40 H new ATOM 662 N LEU A 85 1.953 16.425 31.184 1.00 9.41 N ATOM 663 CA LEU A 85 1.214 16.262 29.937 1.00 8.28 C ATOM 664 C LEU A 85 0.664 17.640 29.503 1.00 8.89 C ATOM 665 O LEU A 85 -0.107 17.677 28.551 1.00 9.71 O ATOM 666 CB LEU A 85 0.103 15.227 30.056 1.00 8.47 C ATOM 667 CG LEU A 85 0.482 13.793 30.454 1.00 5.63 C ATOM 668 CD1 LEU A 85 -0.790 12.965 30.632 1.00 7.75 C ATOM 669 CD2 LEU A 85 1.359 13.278 29.295 1.00 7.69 C ATOM 0 H LEU A 85 1.470 16.672 31.851 1.00 9.41 H new ATOM 0 HA LEU A 85 1.817 15.925 29.257 1.00 8.28 H new ATOM 0 HB2 LEU A 85 -0.538 15.555 30.706 1.00 8.47 H new ATOM 0 HB3 LEU A 85 -0.355 15.186 29.202 1.00 8.47 H new ATOM 0 HG LEU A 85 0.962 13.738 31.295 1.00 5.63 H new ATOM 0 HD11 LEU A 85 -0.554 12.058 30.883 1.00 7.75 H new ATOM 0 HD12 LEU A 85 -1.339 13.360 31.327 1.00 7.75 H new ATOM 0 HD13 LEU A 85 -1.286 12.950 29.798 1.00 7.75 H new ATOM 0 HD21 LEU A 85 1.638 12.368 29.480 1.00 7.69 H new ATOM 0 HD22 LEU A 85 0.850 13.298 28.470 1.00 7.69 H new ATOM 0 HD23 LEU A 85 2.142 13.844 29.205 1.00 7.69 H new ATOM 670 N GLN A 86 1.040 18.673 30.218 1.00 9.40 N ATOM 671 CA GLN A 86 0.569 20.048 29.864 1.00 8.28 C ATOM 672 C GLN A 86 1.326 20.595 28.663 1.00 9.22 C ATOM 673 O GLN A 86 2.448 20.147 28.379 1.00 9.33 O ATOM 674 CB GLN A 86 0.873 20.994 31.041 1.00 9.10 C ATOM 675 CG GLN A 86 0.225 20.549 32.356 1.00 9.94 C ATOM 676 CD GLN A 86 0.576 21.548 33.447 1.00 12.86 C ATOM 677 OE1 GLN A 86 0.052 22.680 33.477 1.00 14.08 O ATOM 678 NE2 GLN A 86 1.497 21.174 34.347 1.00 12.42 N ATOM 0 H GLN A 86 1.557 18.631 30.904 1.00 9.40 H new ATOM 0 HA GLN A 86 -0.379 19.997 29.666 1.00 8.28 H new ATOM 0 HB2 GLN A 86 1.834 21.050 31.163 1.00 9.10 H new ATOM 0 HB3 GLN A 86 0.563 21.886 30.820 1.00 9.10 H new ATOM 0 HG2 GLN A 86 -0.738 20.492 32.252 1.00 9.94 H new ATOM 0 HG3 GLN A 86 0.537 19.664 32.600 1.00 9.94 H new ATOM 0 HE21 GLN A 86 1.844 20.388 34.306 1.00 12.42 H new ATOM 0 HE22 GLN A 86 1.741 21.720 34.965 1.00 12.42 H new ATOM 679 N ASP A 87 0.738 21.577 27.985 1.00 8.78 N ATOM 680 CA ASP A 87 1.400 22.272 26.859 1.00 9.72 C ATOM 681 C ASP A 87 2.541 23.166 27.397 1.00 9.82 C ATOM 682 O ASP A 87 3.553 23.312 26.724 1.00 11.04 O ATOM 683 CB ASP A 87 0.370 23.107 26.108 1.00 11.52 C ATOM 684 CG ASP A 87 -0.479 22.321 25.133 1.00 12.96 C ATOM 685 OD1 ASP A 87 -0.506 21.094 24.967 1.00 10.94 O ATOM 686 OD2 ASP A 87 -1.176 23.096 24.420 1.00 11.45 O ATOM 0 H ASP A 87 -0.054 21.865 28.157 1.00 8.78 H new ATOM 0 HA ASP A 87 1.782 21.622 26.249 1.00 9.72 H new ATOM 0 HB2 ASP A 87 -0.212 23.539 26.752 1.00 11.52 H new ATOM 0 HB3 ASP A 87 0.830 23.811 25.625 1.00 11.52 H new ATOM 687 N ASN A 88 2.395 23.739 28.566 1.00 10.58 N ATOM 688 CA ASN A 88 3.429 24.594 29.190 1.00 10.87 C ATOM 689 C ASN A 88 4.425 23.581 29.778 1.00 10.35 C ATOM 690 O ASN A 88 3.941 22.825 30.609 1.00 11.55 O ATOM 691 CB ASN A 88 2.831 25.450 30.305 1.00 14.38 C ATOM 692 CG ASN A 88 3.991 26.205 30.995 1.00 16.44 C ATOM 693 OD1 ASN A 88 4.608 25.627 31.855 1.00 18.48 O ATOM 694 ND2 ASN A 88 4.265 27.451 30.624 1.00 21.41 N ATOM 0 H ASN A 88 1.686 23.653 29.045 1.00 10.58 H new ATOM 0 HA ASN A 88 3.833 25.211 28.560 1.00 10.87 H new ATOM 0 HB2 ASN A 88 2.185 26.077 29.943 1.00 14.38 H new ATOM 0 HB3 ASN A 88 2.359 24.894 30.945 1.00 14.38 H new ATOM 0 HD21 ASN A 88 4.907 27.881 31.002 1.00 21.41 H new ATOM 0 HD22 ASN A 88 3.801 27.828 30.006 1.00 21.41 H new ATOM 695 N ILE A 89 5.686 23.628 29.472 1.00 9.23 N ATOM 696 CA ILE A 89 6.651 22.619 29.966 1.00 6.93 C ATOM 697 C ILE A 89 7.437 23.019 31.190 1.00 6.75 C ATOM 698 O ILE A 89 8.439 22.337 31.475 1.00 7.96 O ATOM 699 CB ILE A 89 7.591 22.250 28.752 1.00 7.80 C ATOM 700 CG1 ILE A 89 8.484 23.478 28.350 1.00 6.62 C ATOM 701 CG2 ILE A 89 6.749 21.705 27.612 1.00 5.38 C ATOM 702 CD1 ILE A 89 9.538 23.104 27.248 1.00 11.74 C ATOM 0 H ILE A 89 6.035 24.236 28.973 1.00 9.23 H new ATOM 0 HA ILE A 89 6.150 21.850 30.280 1.00 6.93 H new ATOM 0 HB ILE A 89 8.212 21.549 29.006 1.00 7.80 H new ATOM 0 HG12 ILE A 89 7.918 24.196 28.025 1.00 6.62 H new ATOM 0 HG13 ILE A 89 8.944 23.813 29.136 1.00 6.62 H new ATOM 0 HG21 ILE A 89 7.324 21.477 26.865 1.00 5.38 H new ATOM 0 HG22 ILE A 89 6.276 20.912 27.909 1.00 5.38 H new ATOM 0 HG23 ILE A 89 6.108 22.377 27.333 1.00 5.38 H new ATOM 0 HD11 ILE A 89 10.068 23.886 27.028 1.00 11.74 H new ATOM 0 HD12 ILE A 89 10.120 22.403 27.581 1.00 11.74 H new ATOM 0 HD13 ILE A 89 9.078 22.791 26.453 1.00 11.74 H new ATOM 703 N ALA A 90 7.016 24.038 31.880 1.00 4.50 N ATOM 704 CA ALA A 90 7.757 24.476 33.061 1.00 5.92 C ATOM 705 C ALA A 90 7.853 23.376 34.102 1.00 6.03 C ATOM 706 O ALA A 90 8.957 23.245 34.662 1.00 6.42 O ATOM 707 CB ALA A 90 7.093 25.712 33.626 1.00 5.27 C ATOM 0 H ALA A 90 6.312 24.497 31.698 1.00 4.50 H new ATOM 0 HA ALA A 90 8.667 24.690 32.802 1.00 5.92 H new ATOM 0 HB1 ALA A 90 7.579 26.010 34.411 1.00 5.27 H new ATOM 0 HB2 ALA A 90 7.096 26.415 32.958 1.00 5.27 H new ATOM 0 HB3 ALA A 90 6.178 25.504 33.872 1.00 5.27 H new ATOM 708 N ASP A 91 6.785 22.571 34.313 1.00 7.26 N ATOM 709 CA ASP A 91 6.895 21.519 35.366 1.00 8.51 C ATOM 710 C ASP A 91 7.825 20.389 34.880 1.00 9.04 C ATOM 711 O ASP A 91 8.617 19.863 35.657 1.00 7.81 O ATOM 712 CB ASP A 91 5.558 20.998 35.851 1.00 9.98 C ATOM 713 CG ASP A 91 4.702 22.007 36.577 1.00 12.11 C ATOM 714 OD1 ASP A 91 3.490 22.073 36.363 1.00 14.78 O ATOM 715 OD2 ASP A 91 5.236 22.818 37.353 1.00 13.92 O ATOM 0 H ASP A 91 6.036 22.608 33.892 1.00 7.26 H new ATOM 0 HA ASP A 91 7.290 21.934 36.149 1.00 8.51 H new ATOM 0 HB2 ASP A 91 5.061 20.663 35.088 1.00 9.98 H new ATOM 0 HB3 ASP A 91 5.715 20.244 36.441 1.00 9.98 H new ATOM 716 N ALA A 92 7.694 20.112 33.584 1.00 8.85 N ATOM 717 CA ALA A 92 8.482 19.049 32.949 1.00 8.54 C ATOM 718 C ALA A 92 9.957 19.364 33.021 1.00 9.37 C ATOM 719 O ALA A 92 10.809 18.450 33.254 1.00 9.97 O ATOM 720 CB ALA A 92 8.048 18.746 31.527 1.00 8.95 C ATOM 0 H ALA A 92 7.157 20.525 33.054 1.00 8.85 H new ATOM 0 HA ALA A 92 8.312 18.239 33.454 1.00 8.54 H new ATOM 0 HB1 ALA A 92 8.603 18.039 31.163 1.00 8.95 H new ATOM 0 HB2 ALA A 92 7.121 18.462 31.525 1.00 8.95 H new ATOM 0 HB3 ALA A 92 8.142 19.543 30.983 1.00 8.95 H new ATOM 721 N VAL A 93 10.287 20.625 32.822 1.00 7.27 N ATOM 722 CA VAL A 93 11.678 21.096 32.877 1.00 5.94 C ATOM 723 C VAL A 93 12.207 21.005 34.293 1.00 6.23 C ATOM 724 O VAL A 93 13.373 20.576 34.504 1.00 5.91 O ATOM 725 CB VAL A 93 11.776 22.521 32.237 1.00 5.92 C ATOM 726 CG1 VAL A 93 13.026 23.247 32.686 1.00 9.03 C ATOM 727 CG2 VAL A 93 11.658 22.424 30.745 1.00 4.94 C ATOM 0 H VAL A 93 9.715 21.244 32.650 1.00 7.27 H new ATOM 0 HA VAL A 93 12.256 20.523 32.349 1.00 5.94 H new ATOM 0 HB VAL A 93 11.033 23.059 32.551 1.00 5.92 H new ATOM 0 HG11 VAL A 93 13.057 24.124 32.273 1.00 9.03 H new ATOM 0 HG12 VAL A 93 13.015 23.345 33.651 1.00 9.03 H new ATOM 0 HG13 VAL A 93 13.808 22.738 32.422 1.00 9.03 H new ATOM 0 HG21 VAL A 93 11.720 23.311 30.357 1.00 4.94 H new ATOM 0 HG22 VAL A 93 12.375 21.869 30.399 1.00 4.94 H new ATOM 0 HG23 VAL A 93 10.803 22.029 30.513 1.00 4.94 H new ATOM 728 N ALA A 94 11.394 21.455 35.250 1.00 6.95 N ATOM 729 CA ALA A 94 11.830 21.406 36.651 1.00 6.47 C ATOM 730 C ALA A 94 12.124 19.937 37.045 1.00 8.20 C ATOM 731 O ALA A 94 13.078 19.660 37.784 1.00 6.83 O ATOM 732 CB ALA A 94 10.832 22.022 37.577 1.00 5.08 C ATOM 0 H ALA A 94 10.610 21.783 35.118 1.00 6.95 H new ATOM 0 HA ALA A 94 12.641 21.932 36.735 1.00 6.47 H new ATOM 0 HB1 ALA A 94 11.160 21.968 38.488 1.00 5.08 H new ATOM 0 HB2 ALA A 94 10.698 22.952 37.337 1.00 5.08 H new ATOM 0 HB3 ALA A 94 9.989 21.546 37.508 1.00 5.08 H new ATOM 733 N CYS A 95 11.274 19.031 36.540 1.00 7.19 N ATOM 734 CA CYS A 95 11.436 17.607 36.850 1.00 6.90 C ATOM 735 C CYS A 95 12.678 17.022 36.167 1.00 6.41 C ATOM 736 O CYS A 95 13.392 16.214 36.801 1.00 5.84 O ATOM 737 CB CYS A 95 10.152 16.862 36.545 1.00 6.81 C ATOM 738 SG CYS A 95 10.196 15.137 37.091 1.00 8.86 S ATOM 0 H CYS A 95 10.610 19.218 36.026 1.00 7.19 H new ATOM 0 HA CYS A 95 11.600 17.498 37.800 1.00 6.90 H new ATOM 0 HB2 CYS A 95 9.410 17.315 36.976 1.00 6.81 H new ATOM 0 HB3 CYS A 95 9.985 16.891 35.590 1.00 6.81 H new ATOM 739 N ALA A 96 12.869 17.407 34.924 1.00 6.55 N ATOM 740 CA ALA A 96 14.020 16.939 34.156 1.00 6.85 C ATOM 741 C ALA A 96 15.255 17.388 34.894 1.00 7.18 C ATOM 742 O ALA A 96 16.275 16.672 34.988 1.00 7.08 O ATOM 743 CB ALA A 96 13.885 17.392 32.703 1.00 8.41 C ATOM 0 H ALA A 96 12.347 17.941 34.498 1.00 6.55 H new ATOM 0 HA ALA A 96 14.080 15.973 34.088 1.00 6.85 H new ATOM 0 HB1 ALA A 96 14.650 17.081 32.194 1.00 8.41 H new ATOM 0 HB2 ALA A 96 13.072 17.023 32.323 1.00 8.41 H new ATOM 0 HB3 ALA A 96 13.847 18.361 32.668 1.00 8.41 H new ATOM 744 N LYS A 97 15.234 18.573 35.478 1.00 6.31 N ATOM 745 CA LYS A 97 16.390 19.124 36.198 1.00 6.84 C ATOM 746 C LYS A 97 16.656 18.263 37.425 1.00 7.52 C ATOM 747 O LYS A 97 17.817 17.930 37.760 1.00 7.71 O ATOM 748 CB LYS A 97 16.171 20.600 36.586 1.00 7.84 C ATOM 749 CG LYS A 97 16.309 21.604 35.409 1.00 8.00 C ATOM 750 CD LYS A 97 15.968 23.005 35.908 1.00 7.14 C ATOM 751 CE LYS A 97 16.303 24.039 34.845 1.00 11.76 C ATOM 752 NZ LYS A 97 15.676 25.350 35.195 1.00 11.43 N ATOM 0 H LYS A 97 14.548 19.091 35.473 1.00 6.31 H new ATOM 0 HA LYS A 97 17.165 19.107 35.615 1.00 6.84 H new ATOM 0 HB2 LYS A 97 15.286 20.693 36.973 1.00 7.84 H new ATOM 0 HB3 LYS A 97 16.809 20.839 37.276 1.00 7.84 H new ATOM 0 HG2 LYS A 97 17.212 21.585 35.056 1.00 8.00 H new ATOM 0 HG3 LYS A 97 15.716 21.353 34.684 1.00 8.00 H new ATOM 0 HD2 LYS A 97 15.025 23.055 36.131 1.00 7.14 H new ATOM 0 HD3 LYS A 97 16.463 23.195 36.720 1.00 7.14 H new ATOM 0 HE2 LYS A 97 17.265 24.141 34.773 1.00 11.76 H new ATOM 0 HE3 LYS A 97 15.984 23.740 33.979 1.00 11.76 H new ATOM 0 HZ1 LYS A 97 15.633 25.862 34.468 1.00 11.43 H new ATOM 0 HZ2 LYS A 97 14.855 25.212 35.509 1.00 11.43 H new ATOM 0 HZ3 LYS A 97 16.166 25.757 35.816 1.00 11.43 H new ATOM 753 N ARG A 98 15.563 17.865 38.076 1.00 6.44 N ATOM 754 CA ARG A 98 15.675 16.980 39.255 1.00 7.19 C ATOM 755 C ARG A 98 16.300 15.645 38.847 1.00 7.97 C ATOM 756 O ARG A 98 17.193 15.100 39.510 1.00 8.59 O ATOM 757 CB ARG A 98 14.281 16.758 39.876 1.00 7.82 C ATOM 758 CG ARG A 98 14.272 15.524 40.820 1.00 9.63 C ATOM 759 CD ARG A 98 14.991 15.899 42.083 1.00 13.13 C ATOM 760 NE ARG A 98 15.183 14.828 43.031 1.00 15.25 N ATOM 761 CZ ARG A 98 16.012 13.786 42.978 1.00 16.53 C ATOM 762 NH1 ARG A 98 15.982 12.920 44.002 1.00 18.10 N ATOM 763 NH2 ARG A 98 16.885 13.588 42.000 1.00 16.25 N ATOM 0 H ARG A 98 14.760 18.087 37.863 1.00 6.44 H new ATOM 0 HA ARG A 98 16.247 17.399 39.917 1.00 7.19 H new ATOM 0 HB2 ARG A 98 14.016 17.549 40.372 1.00 7.82 H new ATOM 0 HB3 ARG A 98 13.627 16.633 39.171 1.00 7.82 H new ATOM 0 HG2 ARG A 98 13.361 15.254 41.016 1.00 9.63 H new ATOM 0 HG3 ARG A 98 14.707 14.768 40.394 1.00 9.63 H new ATOM 0 HD2 ARG A 98 15.860 16.260 41.847 1.00 13.13 H new ATOM 0 HD3 ARG A 98 14.497 16.611 42.519 1.00 13.13 H new ATOM 0 HE ARG A 98 14.689 14.868 43.734 1.00 15.25 H new ATOM 0 HH11 ARG A 98 15.442 13.049 44.659 1.00 18.10 H new ATOM 0 HH12 ARG A 98 16.503 12.236 44.002 1.00 18.10 H new ATOM 0 HH21 ARG A 98 16.939 14.150 41.351 1.00 16.25 H new ATOM 0 HH22 ARG A 98 17.398 12.898 42.014 1.00 16.25 H new ATOM 764 N VAL A 99 15.930 15.045 37.716 1.00 8.85 N ATOM 765 CA VAL A 99 16.473 13.752 37.259 1.00 8.40 C ATOM 766 C VAL A 99 17.997 13.812 37.103 1.00 9.82 C ATOM 767 O VAL A 99 18.697 12.904 37.599 1.00 10.26 O ATOM 768 CB VAL A 99 15.839 13.292 35.931 1.00 7.13 C ATOM 769 CG1 VAL A 99 16.553 12.042 35.371 1.00 9.72 C ATOM 770 CG2 VAL A 99 14.362 13.087 36.103 1.00 7.38 C ATOM 0 H VAL A 99 15.347 15.379 37.180 1.00 8.85 H new ATOM 0 HA VAL A 99 16.248 13.104 37.945 1.00 8.40 H new ATOM 0 HB VAL A 99 15.958 13.991 35.269 1.00 7.13 H new ATOM 0 HG11 VAL A 99 16.134 11.776 34.538 1.00 9.72 H new ATOM 0 HG12 VAL A 99 17.488 12.247 35.212 1.00 9.72 H new ATOM 0 HG13 VAL A 99 16.486 11.317 36.012 1.00 9.72 H new ATOM 0 HG21 VAL A 99 13.975 12.798 35.262 1.00 7.38 H new ATOM 0 HG22 VAL A 99 14.206 12.410 36.780 1.00 7.38 H new ATOM 0 HG23 VAL A 99 13.949 13.920 36.379 1.00 7.38 H new ATOM 771 N VAL A 100 18.493 14.857 36.431 1.00 8.48 N ATOM 772 CA VAL A 100 19.953 14.895 36.237 1.00 9.11 C ATOM 773 C VAL A 100 20.733 15.277 37.476 1.00 10.17 C ATOM 774 O VAL A 100 21.970 15.241 37.368 1.00 10.84 O ATOM 775 CB VAL A 100 20.354 15.668 34.982 1.00 9.45 C ATOM 776 CG1 VAL A 100 19.736 15.084 33.709 1.00 9.17 C ATOM 777 CG2 VAL A 100 20.085 17.169 35.201 1.00 9.97 C ATOM 0 H VAL A 100 18.043 15.511 36.100 1.00 8.48 H new ATOM 0 HA VAL A 100 20.220 13.977 36.075 1.00 9.11 H new ATOM 0 HB VAL A 100 21.307 15.570 34.832 1.00 9.45 H new ATOM 0 HG11 VAL A 100 20.019 15.607 32.942 1.00 9.17 H new ATOM 0 HG12 VAL A 100 20.028 14.166 33.599 1.00 9.17 H new ATOM 0 HG13 VAL A 100 18.769 15.109 33.778 1.00 9.17 H new ATOM 0 HG21 VAL A 100 20.339 17.663 34.406 1.00 9.97 H new ATOM 0 HG22 VAL A 100 19.141 17.306 35.379 1.00 9.97 H new ATOM 0 HG23 VAL A 100 20.605 17.484 35.956 1.00 9.97 H new ATOM 778 N ARG A 101 20.092 15.617 38.576 1.00 11.03 N ATOM 779 CA ARG A 101 20.790 15.918 39.819 1.00 12.73 C ATOM 780 C ARG A 101 21.292 14.592 40.421 1.00 14.71 C ATOM 781 O ARG A 101 22.178 14.666 41.304 1.00 15.42 O ATOM 782 CB ARG A 101 19.913 16.708 40.771 1.00 12.01 C ATOM 783 CG ARG A 101 19.728 18.189 40.382 1.00 11.70 C ATOM 784 CD ARG A 101 19.496 19.079 41.552 1.00 11.58 C ATOM 785 NE ARG A 101 18.143 19.071 42.055 1.00 13.12 N ATOM 786 CZ ARG A 101 17.086 19.615 41.454 1.00 12.49 C ATOM 787 NH1 ARG A 101 17.126 20.263 40.305 1.00 12.85 N ATOM 788 NH2 ARG A 101 15.905 19.464 42.024 1.00 13.70 N ATOM 0 H ARG A 101 19.236 15.682 38.629 1.00 11.03 H new ATOM 0 HA ARG A 101 21.555 16.489 39.646 1.00 12.73 H new ATOM 0 HB2 ARG A 101 19.041 16.285 40.817 1.00 12.01 H new ATOM 0 HB3 ARG A 101 20.297 16.664 41.661 1.00 12.01 H new ATOM 0 HG2 ARG A 101 20.515 18.492 39.904 1.00 11.70 H new ATOM 0 HG3 ARG A 101 18.978 18.266 39.771 1.00 11.70 H new ATOM 0 HD2 ARG A 101 20.096 18.816 42.267 1.00 11.58 H new ATOM 0 HD3 ARG A 101 19.731 19.987 41.304 1.00 11.58 H new ATOM 0 HE ARG A 101 18.007 18.681 42.809 1.00 13.12 H new ATOM 0 HH11 ARG A 101 17.874 20.357 39.890 1.00 12.85 H new ATOM 0 HH12 ARG A 101 16.405 20.591 39.971 1.00 12.85 H new ATOM 0 HH21 ARG A 101 15.836 19.025 42.761 1.00 13.70 H new ATOM 0 HH22 ARG A 101 15.205 19.804 41.659 1.00 13.70 H new ATOM 789 N ASP A 102 20.806 13.427 39.975 1.00 14.90 N ATOM 790 CA ASP A 102 21.282 12.109 40.456 1.00 14.65 C ATOM 791 C ASP A 102 22.592 11.794 39.722 1.00 13.91 C ATOM 792 O ASP A 102 22.811 12.358 38.652 1.00 12.97 O ATOM 793 CB ASP A 102 20.292 10.992 40.158 1.00 15.40 C ATOM 794 CG ASP A 102 19.217 10.771 41.198 1.00 17.40 C ATOM 795 OD1 ASP A 102 18.476 9.779 40.998 1.00 19.28 O ATOM 796 OD2 ASP A 102 19.100 11.608 42.134 1.00 18.61 O ATOM 0 H ASP A 102 20.187 13.374 39.381 1.00 14.90 H new ATOM 0 HA ASP A 102 21.396 12.157 41.418 1.00 14.65 H new ATOM 0 HB2 ASP A 102 19.863 11.181 39.309 1.00 15.40 H new ATOM 0 HB3 ASP A 102 20.787 10.165 40.048 1.00 15.40 H new ATOM 797 N PRO A 103 23.412 10.919 40.302 1.00 15.29 N ATOM 798 CA PRO A 103 24.729 10.575 39.743 1.00 14.53 C ATOM 799 C PRO A 103 24.747 10.265 38.274 1.00 14.43 C ATOM 800 O PRO A 103 25.645 10.735 37.543 1.00 15.91 O ATOM 801 CB PRO A 103 25.265 9.455 40.619 1.00 15.56 C ATOM 802 CG PRO A 103 24.428 9.460 41.853 1.00 16.06 C ATOM 803 CD PRO A 103 23.200 10.284 41.613 1.00 15.14 C ATOM 0 HA PRO A 103 25.309 11.352 39.767 1.00 14.53 H new ATOM 0 HB2 PRO A 103 25.207 8.600 40.164 1.00 15.56 H new ATOM 0 HB3 PRO A 103 26.200 9.599 40.833 1.00 15.56 H new ATOM 0 HG2 PRO A 103 24.180 8.553 42.092 1.00 16.06 H new ATOM 0 HG3 PRO A 103 24.933 9.822 42.598 1.00 16.06 H new ATOM 0 HD2 PRO A 103 22.402 9.732 41.610 1.00 15.14 H new ATOM 0 HD3 PRO A 103 23.082 10.949 42.310 1.00 15.14 H new ATOM 804 N GLN A 104 23.823 9.495 37.756 1.00 11.57 N ATOM 805 CA GLN A 104 23.772 9.164 36.339 1.00 13.19 C ATOM 806 C GLN A 104 23.693 10.392 35.415 1.00 12.24 C ATOM 807 O GLN A 104 24.158 10.293 34.243 1.00 12.00 O ATOM 808 CB GLN A 104 22.564 8.275 36.027 1.00 15.12 C ATOM 809 CG GLN A 104 22.738 6.824 36.463 1.00 17.95 C ATOM 810 CD GLN A 104 21.848 6.010 35.530 1.00 20.78 C ATOM 811 OE1 GLN A 104 20.632 5.974 35.755 1.00 23.47 O ATOM 812 NE2 GLN A 104 22.476 5.482 34.479 1.00 21.96 N ATOM 0 H GLN A 104 23.192 9.139 38.219 1.00 11.57 H new ATOM 0 HA GLN A 104 24.607 8.702 36.164 1.00 13.19 H new ATOM 0 HB2 GLN A 104 21.780 8.643 36.464 1.00 15.12 H new ATOM 0 HB3 GLN A 104 22.394 8.299 35.072 1.00 15.12 H new ATOM 0 HG2 GLN A 104 23.665 6.547 36.392 1.00 17.95 H new ATOM 0 HG3 GLN A 104 22.476 6.704 37.389 1.00 17.95 H new ATOM 0 HE21 GLN A 104 23.330 5.557 34.406 1.00 21.96 H new ATOM 0 HE22 GLN A 104 22.027 5.067 33.874 1.00 21.96 H new ATOM 813 N GLY A 105 23.044 11.449 35.910 1.00 10.96 N ATOM 814 CA GLY A 105 22.949 12.660 35.020 1.00 8.01 C ATOM 815 C GLY A 105 22.033 12.272 33.864 1.00 7.98 C ATOM 816 O GLY A 105 21.020 11.603 34.003 1.00 9.77 O ATOM 0 H GLY A 105 22.676 11.507 36.685 1.00 10.96 H new ATOM 0 HA2 GLY A 105 22.590 13.419 35.506 1.00 8.01 H new ATOM 0 HA3 GLY A 105 23.825 12.920 34.695 1.00 8.01 H new ATOM 817 N ILE A 106 22.386 12.747 32.704 1.00 9.44 N ATOM 818 CA ILE A 106 21.687 12.563 31.431 1.00 10.77 C ATOM 819 C ILE A 106 21.624 11.106 30.993 1.00 10.96 C ATOM 820 O ILE A 106 20.795 10.751 30.159 1.00 11.28 O ATOM 821 CB ILE A 106 22.339 13.556 30.377 1.00 10.72 C ATOM 822 CG1 ILE A 106 21.506 13.619 29.102 1.00 13.39 C ATOM 823 CG2 ILE A 106 23.822 13.247 30.069 1.00 12.30 C ATOM 824 CD1 ILE A 106 20.267 14.546 29.028 1.00 11.52 C ATOM 0 H ILE A 106 23.095 13.226 32.615 1.00 9.44 H new ATOM 0 HA ILE A 106 20.749 12.791 31.522 1.00 10.77 H new ATOM 0 HB ILE A 106 22.336 14.432 30.793 1.00 10.72 H new ATOM 0 HG12 ILE A 106 22.102 13.877 28.381 1.00 13.39 H new ATOM 0 HG13 ILE A 106 21.203 12.718 28.911 1.00 13.39 H new ATOM 0 HG21 ILE A 106 24.158 13.886 29.422 1.00 12.30 H new ATOM 0 HG22 ILE A 106 24.342 13.310 30.885 1.00 12.30 H new ATOM 0 HG23 ILE A 106 23.897 12.351 29.706 1.00 12.30 H new ATOM 0 HD11 ILE A 106 19.855 14.466 28.154 1.00 11.52 H new ATOM 0 HD12 ILE A 106 19.628 14.288 29.711 1.00 11.52 H new ATOM 0 HD13 ILE A 106 20.541 15.465 29.173 1.00 11.52 H new ATOM 825 N ARG A 107 22.508 10.272 31.505 1.00 12.10 N ATOM 826 CA ARG A 107 22.594 8.824 31.228 1.00 11.31 C ATOM 827 C ARG A 107 21.375 8.158 31.811 1.00 11.53 C ATOM 828 O ARG A 107 21.053 6.980 31.514 1.00 12.44 O ATOM 829 CB ARG A 107 23.909 8.251 31.778 1.00 10.96 C ATOM 830 CG ARG A 107 25.119 8.652 30.943 1.00 11.61 C ATOM 831 CD ARG A 107 26.429 8.372 31.587 1.00 15.63 C ATOM 832 NE ARG A 107 27.544 8.337 30.632 1.00 16.04 N ATOM 833 CZ ARG A 107 28.026 9.459 30.067 1.00 18.61 C ATOM 834 NH1 ARG A 107 29.035 9.412 29.184 1.00 18.37 N ATOM 835 NH2 ARG A 107 27.503 10.666 30.353 1.00 17.53 N ATOM 0 H ARG A 107 23.113 10.536 32.056 1.00 12.10 H new ATOM 0 HA ARG A 107 22.606 8.655 30.273 1.00 11.31 H new ATOM 0 HB2 ARG A 107 24.034 8.557 32.690 1.00 10.96 H new ATOM 0 HB3 ARG A 107 23.848 7.283 31.809 1.00 10.96 H new ATOM 0 HG2 ARG A 107 25.082 8.184 30.094 1.00 11.61 H new ATOM 0 HG3 ARG A 107 25.063 9.600 30.747 1.00 11.61 H new ATOM 0 HD2 ARG A 107 26.605 9.051 32.257 1.00 15.63 H new ATOM 0 HD3 ARG A 107 26.380 7.521 32.051 1.00 15.63 H new ATOM 0 HE ARG A 107 27.898 7.580 30.429 1.00 16.04 H new ATOM 0 HH11 ARG A 107 29.385 8.656 28.971 1.00 18.37 H new ATOM 0 HH12 ARG A 107 29.332 10.138 28.831 1.00 18.37 H new ATOM 0 HH21 ARG A 107 26.848 10.731 30.906 1.00 17.53 H new ATOM 0 HH22 ARG A 107 27.824 11.372 29.982 1.00 17.53 H new ATOM 836 N ALA A 108 20.622 8.845 32.636 1.00 11.46 N ATOM 837 CA ALA A 108 19.387 8.294 33.227 1.00 10.36 C ATOM 838 C ALA A 108 18.431 7.820 32.142 1.00 10.90 C ATOM 839 O ALA A 108 17.560 6.966 32.377 1.00 10.56 O ATOM 840 CB ALA A 108 18.750 9.350 34.104 1.00 11.15 C ATOM 0 H ALA A 108 20.798 9.650 32.881 1.00 11.46 H new ATOM 0 HA ALA A 108 19.603 7.520 33.771 1.00 10.36 H new ATOM 0 HB1 ALA A 108 17.937 8.997 34.497 1.00 11.15 H new ATOM 0 HB2 ALA A 108 19.367 9.601 34.809 1.00 11.15 H new ATOM 0 HB3 ALA A 108 18.537 10.130 33.569 1.00 11.15 H new ATOM 841 N TRP A 109 18.513 8.343 30.940 1.00 10.84 N ATOM 842 CA TRP A 109 17.661 7.983 29.813 1.00 10.85 C ATOM 843 C TRP A 109 18.512 7.168 28.850 1.00 11.66 C ATOM 844 O TRP A 109 19.387 7.724 28.174 1.00 10.70 O ATOM 845 CB TRP A 109 17.105 9.184 29.044 1.00 10.04 C ATOM 846 CG TRP A 109 16.057 10.030 29.676 1.00 8.73 C ATOM 847 CD1 TRP A 109 14.709 9.875 29.557 1.00 8.80 C ATOM 848 CD2 TRP A 109 16.257 11.216 30.462 1.00 8.93 C ATOM 849 NE1 TRP A 109 14.058 10.870 30.239 1.00 9.05 N ATOM 850 CE2 TRP A 109 14.966 11.701 30.808 1.00 10.17 C ATOM 851 CE3 TRP A 109 17.377 11.901 30.929 1.00 7.81 C ATOM 852 CZ2 TRP A 109 14.775 12.842 31.598 1.00 8.22 C ATOM 853 CZ3 TRP A 109 17.197 13.034 31.701 1.00 9.81 C ATOM 854 CH2 TRP A 109 15.912 13.500 32.023 1.00 9.69 C ATOM 0 H TRP A 109 19.092 8.947 30.741 1.00 10.84 H new ATOM 0 HA TRP A 109 16.899 7.499 30.167 1.00 10.85 H new ATOM 0 HB2 TRP A 109 17.853 9.761 28.824 1.00 10.04 H new ATOM 0 HB3 TRP A 109 16.746 8.853 28.206 1.00 10.04 H new ATOM 0 HD1 TRP A 109 14.291 9.193 29.082 1.00 8.80 H new ATOM 0 HE1 TRP A 109 13.204 10.954 30.297 1.00 9.05 H new ATOM 0 HE3 TRP A 109 18.233 11.601 30.724 1.00 7.81 H new ATOM 0 HZ2 TRP A 109 13.924 13.141 31.825 1.00 8.22 H new ATOM 0 HZ3 TRP A 109 17.941 13.496 32.013 1.00 9.81 H new ATOM 0 HH2 TRP A 109 15.825 14.271 32.535 1.00 9.69 H new ATOM 855 N PRO A 110 18.245 5.865 28.782 1.00 13.27 N ATOM 856 CA PRO A 110 18.985 4.982 27.862 1.00 12.87 C ATOM 857 C PRO A 110 19.083 5.501 26.452 1.00 11.39 C ATOM 858 O PRO A 110 20.144 5.359 25.771 1.00 11.04 O ATOM 859 CB PRO A 110 18.162 3.655 27.956 1.00 13.82 C ATOM 860 CG PRO A 110 17.713 3.655 29.399 1.00 14.13 C ATOM 861 CD PRO A 110 17.219 5.122 29.579 1.00 13.44 C ATOM 0 HA PRO A 110 19.919 4.890 28.107 1.00 12.87 H new ATOM 0 HB2 PRO A 110 17.410 3.651 27.343 1.00 13.82 H new ATOM 0 HB3 PRO A 110 18.703 2.878 27.746 1.00 13.82 H new ATOM 0 HG2 PRO A 110 17.006 3.011 29.560 1.00 14.13 H new ATOM 0 HG3 PRO A 110 18.438 3.438 30.006 1.00 14.13 H new ATOM 0 HD2 PRO A 110 16.321 5.252 29.235 1.00 13.44 H new ATOM 0 HD3 PRO A 110 17.209 5.395 30.510 1.00 13.44 H new ATOM 862 N ALA A 111 18.030 6.108 25.920 1.00 11.32 N ATOM 863 CA ALA A 111 18.028 6.603 24.530 1.00 11.52 C ATOM 864 C ALA A 111 19.024 7.744 24.293 1.00 10.89 C ATOM 865 O ALA A 111 19.408 7.960 23.103 1.00 10.96 O ATOM 866 CB ALA A 111 16.647 7.030 24.086 1.00 13.97 C ATOM 0 H ALA A 111 17.296 6.248 26.345 1.00 11.32 H new ATOM 0 HA ALA A 111 18.314 5.849 23.991 1.00 11.52 H new ATOM 0 HB1 ALA A 111 16.685 7.348 23.171 1.00 13.97 H new ATOM 0 HB2 ALA A 111 16.041 6.274 24.140 1.00 13.97 H new ATOM 0 HB3 ALA A 111 16.327 7.742 24.662 1.00 13.97 H new ATOM 867 N TRP A 112 19.447 8.425 25.343 1.00 9.65 N ATOM 868 CA TRP A 112 20.466 9.494 25.188 1.00 9.61 C ATOM 869 C TRP A 112 21.778 8.795 24.783 1.00 10.62 C ATOM 870 O TRP A 112 22.505 9.198 23.875 1.00 10.34 O ATOM 871 CB TRP A 112 20.576 10.416 26.415 1.00 9.62 C ATOM 872 CG TRP A 112 21.675 11.412 26.194 1.00 8.78 C ATOM 873 CD1 TRP A 112 21.572 12.610 25.538 1.00 7.76 C ATOM 874 CD2 TRP A 112 23.062 11.244 26.540 1.00 10.26 C ATOM 875 NE1 TRP A 112 22.791 13.217 25.486 1.00 9.24 N ATOM 876 CE2 TRP A 112 23.732 12.443 26.092 1.00 10.11 C ATOM 877 CE3 TRP A 112 23.791 10.271 27.213 1.00 7.91 C ATOM 878 CZ2 TRP A 112 25.098 12.614 26.253 1.00 10.73 C ATOM 879 CZ3 TRP A 112 25.156 10.442 27.378 1.00 8.22 C ATOM 880 CH2 TRP A 112 25.791 11.593 26.941 1.00 10.87 C ATOM 0 H TRP A 112 19.172 8.300 26.148 1.00 9.65 H new ATOM 0 HA TRP A 112 20.208 10.119 24.493 1.00 9.61 H new ATOM 0 HB2 TRP A 112 19.735 10.876 26.563 1.00 9.62 H new ATOM 0 HB3 TRP A 112 20.757 9.892 27.211 1.00 9.62 H new ATOM 0 HD1 TRP A 112 20.787 12.958 25.181 1.00 7.76 H new ATOM 0 HE1 TRP A 112 22.944 13.981 25.122 1.00 9.24 H new ATOM 0 HE3 TRP A 112 23.368 9.514 27.549 1.00 7.91 H new ATOM 0 HZ2 TRP A 112 25.537 13.365 25.924 1.00 10.73 H new ATOM 0 HZ3 TRP A 112 25.654 9.773 27.789 1.00 8.22 H new ATOM 0 HH2 TRP A 112 26.700 11.697 27.105 1.00 10.87 H new ATOM 881 N ARG A 113 22.069 7.660 25.448 1.00 11.81 N ATOM 882 CA ARG A 113 23.302 6.877 25.134 1.00 12.13 C ATOM 883 C ARG A 113 23.260 6.325 23.718 1.00 10.93 C ATOM 884 O ARG A 113 24.269 6.431 22.955 1.00 12.81 O ATOM 885 CB ARG A 113 23.531 5.738 26.097 1.00 13.82 C ATOM 886 CG ARG A 113 23.526 5.969 27.590 1.00 18.80 C ATOM 887 CD ARG A 113 23.501 4.657 28.296 1.00 23.21 C ATOM 888 NE ARG A 113 22.337 3.793 28.078 1.00 27.72 N ATOM 889 CZ ARG A 113 21.879 3.111 27.035 1.00 27.36 C ATOM 890 NH1 ARG A 113 22.442 3.072 25.827 1.00 28.96 N ATOM 891 NH2 ARG A 113 20.755 2.386 27.119 1.00 28.46 N ATOM 0 H ARG A 113 21.581 7.326 26.073 1.00 11.81 H new ATOM 0 HA ARG A 113 24.039 7.501 25.221 1.00 12.13 H new ATOM 0 HB2 ARG A 113 22.855 5.068 25.911 1.00 13.82 H new ATOM 0 HB3 ARG A 113 24.389 5.345 25.873 1.00 13.82 H new ATOM 0 HG2 ARG A 113 24.312 6.473 27.852 1.00 18.80 H new ATOM 0 HG3 ARG A 113 22.753 6.498 27.843 1.00 18.80 H new ATOM 0 HD2 ARG A 113 24.294 4.162 28.036 1.00 23.21 H new ATOM 0 HD3 ARG A 113 23.573 4.828 29.248 1.00 23.21 H new ATOM 0 HE ARG A 113 21.844 3.710 28.778 1.00 27.72 H new ATOM 0 HH11 ARG A 113 23.164 3.514 25.675 1.00 28.96 H new ATOM 0 HH12 ARG A 113 22.083 2.605 25.200 1.00 28.96 H new ATOM 0 HH21 ARG A 113 20.316 2.357 27.858 1.00 28.46 H new ATOM 0 HH22 ARG A 113 20.472 1.950 26.434 1.00 28.46 H new ATOM 892 N ASN A 114 22.117 5.789 23.341 1.00 10.57 N ATOM 893 CA ASN A 114 21.955 5.187 21.991 1.00 9.83 C ATOM 894 C ASN A 114 21.947 6.162 20.837 1.00 10.25 C ATOM 895 O ASN A 114 22.503 5.890 19.746 1.00 9.73 O ATOM 896 CB ASN A 114 20.631 4.373 21.866 1.00 12.57 C ATOM 897 CG ASN A 114 20.480 3.386 23.018 1.00 12.69 C ATOM 898 OD1 ASN A 114 21.511 2.943 23.544 1.00 14.48 O ATOM 899 ND2 ASN A 114 19.245 3.107 23.410 1.00 13.32 N ATOM 0 H ASN A 114 21.414 5.754 23.835 1.00 10.57 H new ATOM 0 HA ASN A 114 22.745 4.628 21.923 1.00 9.83 H new ATOM 0 HB2 ASN A 114 19.875 4.980 21.856 1.00 12.57 H new ATOM 0 HB3 ASN A 114 20.621 3.894 21.023 1.00 12.57 H new ATOM 0 HD21 ASN A 114 19.114 2.581 24.078 1.00 13.32 H new ATOM 0 HD22 ASN A 114 18.574 3.452 22.996 1.00 13.32 H new ATOM 900 N ARG A 115 21.307 7.323 21.114 1.00 9.52 N ATOM 901 CA ARG A 115 21.119 8.302 20.044 1.00 9.63 C ATOM 902 C ARG A 115 21.840 9.652 20.069 1.00 8.79 C ATOM 903 O ARG A 115 21.862 10.256 18.970 1.00 7.38 O ATOM 904 CB ARG A 115 19.634 8.680 19.914 1.00 12.68 C ATOM 905 CG ARG A 115 18.489 7.801 20.238 1.00 14.16 C ATOM 906 CD ARG A 115 18.401 6.494 19.640 1.00 17.12 C ATOM 907 NE ARG A 115 18.001 6.150 18.358 1.00 17.70 N ATOM 908 CZ ARG A 115 17.242 5.452 17.563 1.00 18.82 C ATOM 909 NH1 ARG A 115 17.484 5.558 16.237 1.00 18.95 N ATOM 910 NH2 ARG A 115 16.219 4.657 17.840 1.00 19.26 N ATOM 0 H ARG A 115 20.991 7.546 21.882 1.00 9.52 H new ATOM 0 HA ARG A 115 21.520 7.800 19.317 1.00 9.63 H new ATOM 0 HB2 ARG A 115 19.516 9.476 20.455 1.00 12.68 H new ATOM 0 HB3 ARG A 115 19.509 8.945 18.989 1.00 12.68 H new ATOM 0 HG2 ARG A 115 18.480 7.680 21.200 1.00 14.16 H new ATOM 0 HG3 ARG A 115 17.680 8.282 20.004 1.00 14.16 H new ATOM 0 HD2 ARG A 115 19.290 6.117 19.733 1.00 17.12 H new ATOM 0 HD3 ARG A 115 17.816 5.990 20.227 1.00 17.12 H new ATOM 0 HE ARG A 115 18.490 6.628 17.836 1.00 17.70 H new ATOM 0 HH11 ARG A 115 18.115 6.069 15.955 1.00 18.95 H new ATOM 0 HH12 ARG A 115 17.007 5.114 15.676 1.00 18.95 H new ATOM 0 HH21 ARG A 115 15.970 4.545 18.656 1.00 19.26 H new ATOM 0 HH22 ARG A 115 15.804 4.253 17.204 1.00 19.26 H new ATOM 911 N CYS A 116 22.332 10.032 21.221 1.00 8.03 N ATOM 912 CA CYS A 116 22.942 11.385 21.309 1.00 9.42 C ATOM 913 C CYS A 116 24.382 11.367 21.765 1.00 9.46 C ATOM 914 O CYS A 116 25.153 12.186 21.242 1.00 10.03 O ATOM 915 CB CYS A 116 22.131 12.247 22.309 1.00 9.31 C ATOM 916 SG CYS A 116 20.315 12.239 22.021 1.00 9.53 S ATOM 0 H CYS A 116 22.337 9.567 21.944 1.00 8.03 H new ATOM 0 HA CYS A 116 22.922 11.754 20.412 1.00 9.42 H new ATOM 0 HB2 CYS A 116 22.306 11.930 23.209 1.00 9.31 H new ATOM 0 HB3 CYS A 116 22.451 13.162 22.264 1.00 9.31 H new ATOM 917 N GLN A 117 24.735 10.505 22.699 1.00 9.59 N ATOM 918 CA GLN A 117 26.141 10.482 23.188 1.00 10.91 C ATOM 919 C GLN A 117 27.142 10.264 22.071 1.00 12.41 C ATOM 920 O GLN A 117 26.917 9.439 21.186 1.00 11.79 O ATOM 921 CB GLN A 117 26.290 9.485 24.322 1.00 11.60 C ATOM 922 CG GLN A 117 27.707 9.358 24.867 1.00 12.82 C ATOM 923 CD GLN A 117 27.785 8.191 25.805 1.00 16.74 C ATOM 924 OE1 GLN A 117 28.012 8.294 27.012 1.00 21.92 O ATOM 925 NE2 GLN A 117 27.502 7.027 25.302 1.00 16.69 N ATOM 0 H GLN A 117 24.208 9.933 23.066 1.00 9.59 H new ATOM 0 HA GLN A 117 26.349 11.360 23.544 1.00 10.91 H new ATOM 0 HB2 GLN A 117 25.699 9.745 25.046 1.00 11.60 H new ATOM 0 HB3 GLN A 117 25.995 8.614 24.013 1.00 11.60 H new ATOM 0 HG2 GLN A 117 28.334 9.240 24.137 1.00 12.82 H new ATOM 0 HG3 GLN A 117 27.960 10.173 25.329 1.00 12.82 H new ATOM 0 HE21 GLN A 117 27.343 6.949 24.460 1.00 16.69 H new ATOM 0 HE22 GLN A 117 27.474 6.334 25.811 1.00 16.69 H new ATOM 926 N ASN A 118 28.241 11.046 22.141 1.00 13.26 N ATOM 927 CA ASN A 118 29.346 10.995 21.180 1.00 15.26 C ATOM 928 C ASN A 118 28.971 11.323 19.749 1.00 14.71 C ATOM 929 O ASN A 118 29.730 11.008 18.806 1.00 18.04 O ATOM 930 CB ASN A 118 30.168 9.662 21.285 1.00 17.43 C ATOM 931 CG ASN A 118 30.635 9.526 22.729 1.00 20.29 C ATOM 932 OD1 ASN A 118 30.399 8.506 23.398 1.00 24.09 O ATOM 933 ND2 ASN A 118 31.213 10.600 23.271 1.00 19.61 N ATOM 0 H ASN A 118 28.358 11.628 22.763 1.00 13.26 H new ATOM 0 HA ASN A 118 29.928 11.723 21.450 1.00 15.26 H new ATOM 0 HB2 ASN A 118 29.621 8.903 21.030 1.00 17.43 H new ATOM 0 HB3 ASN A 118 30.927 9.680 20.681 1.00 17.43 H new ATOM 0 HD21 ASN A 118 31.432 10.597 24.103 1.00 19.61 H new ATOM 0 HD22 ASN A 118 31.367 11.295 22.788 1.00 19.61 H new ATOM 934 N ARG A 119 27.857 11.955 19.546 1.00 12.87 N ATOM 935 CA ARG A 119 27.392 12.378 18.228 1.00 13.55 C ATOM 936 C ARG A 119 27.563 13.923 18.119 1.00 11.83 C ATOM 937 O ARG A 119 27.670 14.632 19.122 1.00 13.49 O ATOM 938 CB ARG A 119 25.881 12.159 18.033 1.00 13.62 C ATOM 939 CG ARG A 119 25.463 10.752 18.460 1.00 15.19 C ATOM 940 CD ARG A 119 25.109 9.933 17.304 1.00 16.24 C ATOM 941 NE ARG A 119 24.580 8.626 17.733 1.00 16.13 N ATOM 942 CZ ARG A 119 24.185 7.696 16.857 1.00 17.06 C ATOM 943 NH1 ARG A 119 23.692 6.553 17.353 1.00 16.42 N ATOM 944 NH2 ARG A 119 24.287 7.953 15.539 1.00 15.77 N ATOM 0 H ARG A 119 27.318 12.166 20.182 1.00 12.87 H new ATOM 0 HA ARG A 119 27.900 11.865 17.580 1.00 13.55 H new ATOM 0 HB2 ARG A 119 25.388 12.816 18.549 1.00 13.62 H new ATOM 0 HB3 ARG A 119 25.650 12.299 17.101 1.00 13.62 H new ATOM 0 HG2 ARG A 119 26.188 10.331 18.948 1.00 15.19 H new ATOM 0 HG3 ARG A 119 24.707 10.806 19.065 1.00 15.19 H new ATOM 0 HD2 ARG A 119 24.447 10.394 16.766 1.00 16.24 H new ATOM 0 HD3 ARG A 119 25.890 9.803 16.743 1.00 16.24 H new ATOM 0 HE ARG A 119 24.524 8.456 18.574 1.00 16.13 H new ATOM 0 HH11 ARG A 119 23.640 6.441 18.204 1.00 16.42 H new ATOM 0 HH12 ARG A 119 23.428 5.932 16.820 1.00 16.42 H new ATOM 0 HH21 ARG A 119 24.603 8.707 15.271 1.00 15.77 H new ATOM 0 HH22 ARG A 119 24.036 7.363 14.965 1.00 15.77 H new ATOM 945 N ASP A 120 27.496 14.330 16.877 1.00 11.63 N ATOM 946 CA ASP A 120 27.506 15.717 16.479 1.00 12.46 C ATOM 947 C ASP A 120 26.023 16.143 16.681 1.00 12.34 C ATOM 948 O ASP A 120 25.225 15.935 15.772 1.00 14.36 O ATOM 949 CB ASP A 120 27.971 15.950 15.045 1.00 13.68 C ATOM 950 CG ASP A 120 28.042 17.451 14.746 1.00 14.20 C ATOM 951 OD1 ASP A 120 27.793 18.284 15.649 1.00 16.24 O ATOM 952 OD2 ASP A 120 28.376 17.685 13.580 1.00 14.37 O ATOM 0 H ASP A 120 27.441 13.787 16.213 1.00 11.63 H new ATOM 0 HA ASP A 120 28.141 16.235 16.997 1.00 12.46 H new ATOM 0 HB2 ASP A 120 28.843 15.546 14.911 1.00 13.68 H new ATOM 0 HB3 ASP A 120 27.361 15.519 14.426 1.00 13.68 H new ATOM 953 N VAL A 121 25.718 16.674 17.834 1.00 11.53 N ATOM 954 CA VAL A 121 24.363 17.134 18.151 1.00 12.54 C ATOM 955 C VAL A 121 24.071 18.611 17.785 1.00 13.71 C ATOM 956 O VAL A 121 22.985 19.121 18.135 1.00 12.36 O ATOM 957 CB VAL A 121 24.078 16.919 19.675 1.00 12.07 C ATOM 958 CG1 VAL A 121 23.849 15.447 20.000 1.00 13.10 C ATOM 959 CG2 VAL A 121 25.165 17.545 20.523 1.00 9.94 C ATOM 0 H VAL A 121 26.285 16.786 18.471 1.00 11.53 H new ATOM 0 HA VAL A 121 23.773 16.600 17.596 1.00 12.54 H new ATOM 0 HB VAL A 121 23.251 17.376 19.896 1.00 12.07 H new ATOM 0 HG11 VAL A 121 23.676 15.348 20.949 1.00 13.10 H new ATOM 0 HG12 VAL A 121 23.087 15.119 19.497 1.00 13.10 H new ATOM 0 HG13 VAL A 121 24.638 14.936 19.761 1.00 13.10 H new ATOM 0 HG21 VAL A 121 24.968 17.400 21.462 1.00 9.94 H new ATOM 0 HG22 VAL A 121 26.019 17.139 20.306 1.00 9.94 H new ATOM 0 HG23 VAL A 121 25.206 18.498 20.346 1.00 9.94 H new ATOM 960 N ARG A 122 25.028 19.261 17.156 1.00 15.14 N ATOM 961 CA ARG A 122 24.891 20.683 16.760 1.00 17.41 C ATOM 962 C ARG A 122 23.636 20.876 15.929 1.00 17.11 C ATOM 963 O ARG A 122 22.951 21.920 16.043 1.00 16.59 O ATOM 964 CB ARG A 122 26.150 21.156 16.044 1.00 20.46 C ATOM 965 CG ARG A 122 27.399 21.369 16.892 1.00 23.28 C ATOM 966 CD ARG A 122 28.631 21.317 16.045 1.00 28.94 C ATOM 967 NE ARG A 122 29.837 21.937 16.560 1.00 33.31 N ATOM 968 CZ ARG A 122 30.383 22.118 17.754 1.00 34.22 C ATOM 969 NH1 ARG A 122 31.560 22.745 17.885 1.00 35.93 N ATOM 970 NH2 ARG A 122 29.848 21.730 18.922 1.00 35.40 N ATOM 0 H ARG A 122 25.781 18.907 16.939 1.00 15.14 H new ATOM 0 HA ARG A 122 24.794 21.234 17.553 1.00 17.41 H new ATOM 0 HB2 ARG A 122 26.363 20.509 15.353 1.00 20.46 H new ATOM 0 HB3 ARG A 122 25.945 21.992 15.597 1.00 20.46 H new ATOM 0 HG2 ARG A 122 27.347 22.227 17.342 1.00 23.28 H new ATOM 0 HG3 ARG A 122 27.447 20.689 17.582 1.00 23.28 H new ATOM 0 HD2 ARG A 122 28.829 20.385 15.866 1.00 28.94 H new ATOM 0 HD3 ARG A 122 28.424 21.732 15.193 1.00 28.94 H new ATOM 0 HE ARG A 122 30.320 22.272 15.932 1.00 33.31 H new ATOM 0 HH11 ARG A 122 31.972 23.036 17.189 1.00 35.93 H new ATOM 0 HH12 ARG A 122 31.904 22.856 18.666 1.00 35.93 H new ATOM 0 HH21 ARG A 122 29.088 21.327 18.934 1.00 35.40 H new ATOM 0 HH22 ARG A 122 30.265 21.884 19.658 1.00 35.40 H new ATOM 971 N GLN A 123 23.312 19.915 15.087 1.00 16.02 N ATOM 972 CA GLN A 123 22.146 19.944 14.225 1.00 16.06 C ATOM 973 C GLN A 123 20.856 20.327 14.937 1.00 15.62 C ATOM 974 O GLN A 123 20.010 21.018 14.347 1.00 15.24 O ATOM 975 CB GLN A 123 21.948 18.573 13.514 1.00 19.24 C ATOM 976 CG GLN A 123 21.933 17.432 14.505 1.00 22.87 C ATOM 977 CD GLN A 123 21.828 16.047 13.944 1.00 25.99 C ATOM 978 OE1 GLN A 123 20.764 15.506 13.605 1.00 27.24 O ATOM 979 NE2 GLN A 123 23.014 15.407 13.889 1.00 27.85 N ATOM 0 H GLN A 123 23.782 19.200 14.997 1.00 16.02 H new ATOM 0 HA GLN A 123 22.329 20.641 13.575 1.00 16.06 H new ATOM 0 HB2 GLN A 123 21.115 18.582 13.017 1.00 19.24 H new ATOM 0 HB3 GLN A 123 22.661 18.435 12.871 1.00 19.24 H new ATOM 0 HG2 GLN A 123 22.744 17.482 15.035 1.00 22.87 H new ATOM 0 HG3 GLN A 123 21.189 17.569 15.112 1.00 22.87 H new ATOM 0 HE21 GLN A 123 23.733 15.812 14.132 1.00 27.85 H new ATOM 0 HE22 GLN A 123 23.051 14.594 13.611 1.00 27.85 H new ATOM 980 N TYR A 124 20.666 19.873 16.176 1.00 15.08 N ATOM 981 CA TYR A 124 19.402 20.145 16.898 1.00 13.56 C ATOM 982 C TYR A 124 19.187 21.626 17.224 1.00 13.50 C ATOM 983 O TYR A 124 17.993 21.999 17.343 1.00 13.08 O ATOM 984 CB TYR A 124 19.238 19.288 18.155 1.00 10.81 C ATOM 985 CG TYR A 124 19.250 17.813 17.811 1.00 12.16 C ATOM 986 CD1 TYR A 124 18.056 17.173 17.435 1.00 11.87 C ATOM 987 CD2 TYR A 124 20.448 17.110 17.878 1.00 11.87 C ATOM 988 CE1 TYR A 124 18.115 15.806 17.092 1.00 15.10 C ATOM 989 CE2 TYR A 124 20.478 15.725 17.554 1.00 13.95 C ATOM 990 CZ TYR A 124 19.314 15.101 17.162 1.00 12.16 C ATOM 991 OH TYR A 124 19.368 13.773 16.849 1.00 15.48 O ATOM 0 H TYR A 124 21.242 19.412 16.618 1.00 15.08 H new ATOM 0 HA TYR A 124 18.707 19.889 16.271 1.00 13.56 H new ATOM 0 HB2 TYR A 124 19.954 19.484 18.780 1.00 10.81 H new ATOM 0 HB3 TYR A 124 18.405 19.514 18.598 1.00 10.81 H new ATOM 0 HD1 TYR A 124 17.251 17.637 17.413 1.00 11.87 H new ATOM 0 HD2 TYR A 124 21.229 17.545 18.134 1.00 11.87 H new ATOM 0 HE1 TYR A 124 17.342 15.369 16.815 1.00 15.10 H new ATOM 0 HE2 TYR A 124 21.274 15.247 17.606 1.00 13.95 H new ATOM 0 HH TYR A 124 18.924 13.631 16.150 1.00 15.48 H new ATOM 992 N VAL A 125 20.261 22.368 17.314 1.00 12.85 N ATOM 993 CA VAL A 125 20.118 23.817 17.590 1.00 12.86 C ATOM 994 C VAL A 125 20.589 24.724 16.438 1.00 13.35 C ATOM 995 O VAL A 125 20.521 25.964 16.664 1.00 13.70 O ATOM 996 CB VAL A 125 20.853 24.198 18.888 1.00 12.65 C ATOM 997 CG1 VAL A 125 20.257 23.570 20.140 1.00 11.38 C ATOM 998 CG2 VAL A 125 22.340 23.904 18.744 1.00 14.08 C ATOM 0 H VAL A 125 21.068 22.085 17.225 1.00 12.85 H new ATOM 0 HA VAL A 125 19.165 23.970 17.689 1.00 12.86 H new ATOM 0 HB VAL A 125 20.733 25.152 19.017 1.00 12.65 H new ATOM 0 HG11 VAL A 125 20.766 23.851 20.917 1.00 11.38 H new ATOM 0 HG12 VAL A 125 19.335 23.855 20.238 1.00 11.38 H new ATOM 0 HG13 VAL A 125 20.290 22.604 20.064 1.00 11.38 H new ATOM 0 HG21 VAL A 125 22.799 24.146 19.564 1.00 14.08 H new ATOM 0 HG22 VAL A 125 22.468 22.958 18.569 1.00 14.08 H new ATOM 0 HG23 VAL A 125 22.702 24.420 18.007 1.00 14.08 H new ATOM 999 N GLN A 126 21.059 24.237 15.329 1.00 13.11 N ATOM 1000 CA GLN A 126 21.544 25.175 14.276 1.00 14.87 C ATOM 1001 C GLN A 126 20.391 26.040 13.771 1.00 14.31 C ATOM 1002 O GLN A 126 19.243 25.641 13.560 1.00 13.35 O ATOM 1003 CB GLN A 126 22.258 24.430 13.152 1.00 19.93 C ATOM 1004 CG GLN A 126 21.294 23.368 12.649 1.00 24.82 C ATOM 1005 CD GLN A 126 21.864 22.457 11.586 1.00 29.69 C ATOM 1006 OE1 GLN A 126 23.028 22.625 11.174 1.00 32.25 O ATOM 1007 NE2 GLN A 126 20.984 21.495 11.224 1.00 30.02 N ATOM 0 H GLN A 126 21.119 23.400 15.139 1.00 13.11 H new ATOM 0 HA GLN A 126 22.204 25.769 14.666 1.00 14.87 H new ATOM 0 HB2 GLN A 126 22.503 25.038 12.437 1.00 19.93 H new ATOM 0 HB3 GLN A 126 23.079 24.025 13.474 1.00 19.93 H new ATOM 0 HG2 GLN A 126 21.005 22.828 13.401 1.00 24.82 H new ATOM 0 HG3 GLN A 126 20.505 23.806 12.294 1.00 24.82 H new ATOM 0 HE21 GLN A 126 20.200 21.475 11.577 1.00 30.02 H new ATOM 0 HE22 GLN A 126 21.209 20.904 10.641 1.00 30.02 H new ATOM 1008 N GLY A 127 20.708 27.330 13.614 1.00 14.78 N ATOM 1009 CA GLY A 127 19.882 28.430 13.187 1.00 14.23 C ATOM 1010 C GLY A 127 18.704 28.823 14.069 1.00 14.09 C ATOM 1011 O GLY A 127 17.768 29.518 13.609 1.00 13.79 O ATOM 0 H GLY A 127 21.509 27.598 13.778 1.00 14.78 H new ATOM 0 HA2 GLY A 127 20.452 29.209 13.088 1.00 14.23 H new ATOM 0 HA3 GLY A 127 19.536 28.218 12.306 1.00 14.23 H new ATOM 1012 N CYS A 128 18.687 28.433 15.327 1.00 12.18 N ATOM 1013 CA CYS A 128 17.566 28.761 16.214 1.00 12.21 C ATOM 1014 C CYS A 128 17.793 30.057 16.965 1.00 12.53 C ATOM 1015 O CYS A 128 16.820 30.536 17.603 1.00 13.84 O ATOM 1016 CB CYS A 128 17.283 27.613 17.228 1.00 10.02 C ATOM 1017 SG CYS A 128 16.907 26.062 16.397 1.00 10.41 S ATOM 0 H CYS A 128 19.313 27.975 15.698 1.00 12.18 H new ATOM 0 HA CYS A 128 16.791 28.872 15.641 1.00 12.21 H new ATOM 0 HB2 CYS A 128 18.055 27.493 17.803 1.00 10.02 H new ATOM 0 HB3 CYS A 128 16.540 27.862 17.799 1.00 10.02 H new ATOM 1018 N GLY A 129 19.008 30.571 16.900 1.00 12.76 N ATOM 1019 CA GLY A 129 19.261 31.845 17.592 1.00 13.96 C ATOM 1020 C GLY A 129 19.520 31.613 19.051 1.00 15.95 C ATOM 1021 O GLY A 129 19.308 32.515 19.861 1.00 17.33 O ATOM 0 H GLY A 129 19.678 30.227 16.485 1.00 12.76 H new ATOM 0 HA2 GLY A 129 20.023 32.291 17.190 1.00 13.96 H new ATOM 0 HA3 GLY A 129 18.498 32.434 17.484 1.00 13.96 H new ATOM 1022 N VAL A 130 19.992 30.446 19.412 1.00 17.75 N ATOM 1023 CA VAL A 130 20.353 30.083 20.812 1.00 19.97 C ATOM 1024 C VAL A 130 21.881 29.944 20.758 1.00 23.00 C ATOM 1025 O VAL A 130 22.379 28.953 20.186 1.00 25.81 O ATOM 1026 CB VAL A 130 19.565 28.881 21.289 1.00 19.27 C ATOM 1027 CG1 VAL A 130 18.050 29.151 21.298 1.00 17.85 C ATOM 1028 CG2 VAL A 130 19.816 27.635 20.414 1.00 17.76 C ATOM 1029 OXT VAL A 130 22.551 30.892 21.180 1.00 28.37 O ATOM 0 H VAL A 130 20.125 29.807 18.852 1.00 17.75 H new ATOM 0 HA VAL A 130 20.115 30.738 21.486 1.00 19.97 H new ATOM 0 HB VAL A 130 19.876 28.714 22.193 1.00 19.27 H new ATOM 0 HG11 VAL A 130 17.582 28.360 21.608 1.00 17.85 H new ATOM 0 HG12 VAL A 130 17.857 29.894 21.891 1.00 17.85 H new ATOM 0 HG13 VAL A 130 17.755 29.369 20.400 1.00 17.85 H new ATOM 0 HG21 VAL A 130 19.294 26.891 20.753 1.00 17.76 H new ATOM 0 HG22 VAL A 130 19.554 27.823 19.499 1.00 17.76 H new ATOM 0 HG23 VAL A 130 20.758 27.406 20.439 1.00 17.76 H new TER 1030 VAL A 130 HETATM 1031 O HOH A 131 0.575 17.226 21.530 1.00 13.43 O HETATM 1032 O HOH A 132 0.509 21.177 18.509 1.00 10.31 O HETATM 1033 O HOH A 133 24.222 23.502 22.703 1.00 7.64 O HETATM 1034 O HOH A 134 28.359 17.223 24.882 1.00 2.00 O HETATM 1035 O HOH A 135 14.979 6.071 27.231 1.00 9.93 O HETATM 1036 O HOH A 136 1.910 3.467 35.097 1.00 11.03 O HETATM 1037 O HOH A 137 8.227 15.000 30.324 1.00 9.02 O HETATM 1038 O HOH A 138 12.602 8.902 33.318 1.00 22.91 O HETATM 1039 O HOH A 139 10.839 2.047 35.318 1.00 17.10 O HETATM 1040 O HOH A 140 5.708 7.501 41.051 1.00 8.97 O HETATM 1041 O HOH A 141 23.150 28.641 14.434 1.00 24.63 O HETATM 1042 O HOH A 142 28.797 12.888 24.510 1.00 19.25 O HETATM 1043 O HOH A 143 10.809 18.759 40.384 1.00 19.68 O HETATM 1044 O HOH A 144 6.239 20.241 42.677 1.00 32.20 O HETATM 1045 O HOH A 145 4.843 20.532 32.359 1.00 11.77 O HETATM 1046 O HOH A 146 24.779 15.026 37.833 1.00 17.80 O HETATM 1047 O HOH A 147 6.213 26.397 27.751 1.00 16.51 O HETATM 1048 O HOH A 148 1.100 18.459 40.241 1.00 2.00 O HETATM 1049 O HOH A 149 1.402 27.070 21.649 1.00 36.62 O HETATM 1050 O HOH A 150 -1.288 18.310 19.472 1.00 13.19 O HETATM 1051 O HOH A 151 24.945 17.753 13.947 1.00 27.27 O HETATM 1052 O HOH A 152 12.027 25.168 13.734 1.00 9.55 O HETATM 1053 O HOH A 153 10.530 20.524 14.093 1.00 14.26 O HETATM 1054 O HOH A 154 9.101 30.927 18.635 1.00 19.85 O HETATM 1055 O HOH A 155 15.687 32.101 24.330 1.00 21.20 O HETATM 1056 O HOH A 156 25.015 7.778 20.295 1.00 13.69 O HETATM 1057 O HOH A 157 19.870 28.183 29.464 1.00 9.70 O HETATM 1058 O HOH A 158 19.311 23.386 40.830 1.00 39.52 O HETATM 1059 O HOH A 159 7.732 8.015 21.744 1.00 37.37 O HETATM 1060 O HOH A 160 14.822 17.809 15.033 1.00 12.03 O HETATM 1061 O HOH A 161 1.540 3.150 25.437 1.00 28.04 O HETATM 1062 O HOH A 162 3.560 6.646 40.311 1.00 10.68 O HETATM 1063 O HOH A 163 -1.877 9.173 45.283 1.00 16.69 O HETATM 1064 O HOH A 164 19.196 26.654 35.783 1.00 23.82 O HETATM 1065 O HOH A 165 11.104 29.229 14.974 1.00 18.30 O HETATM 1066 O HOH A 166 13.365 14.545 45.521 1.00 22.35 O HETATM 1067 O HOH A 167 12.815 15.815 13.997 1.00 27.29 O HETATM 1068 O HOH A 168 6.732 30.197 32.043 1.00 23.07 O HETATM 1069 O HOH A 169 10.438 26.673 15.364 1.00 27.86 O HETATM 1070 O HOH A 170 8.197 -2.884 29.011 1.00 22.78 O HETATM 1071 O HOH A 171 6.133 17.161 29.074 1.00 11.72 O HETATM 1072 O HOH A 172 2.039 4.802 42.001 1.00 14.54 O HETATM 1073 O HOH A 173 11.086 3.561 43.303 1.00 25.94 O HETATM 1074 O HOH A 174 -1.580 11.779 40.245 1.00 7.99 O HETATM 1075 O HOH A 175 -1.304 23.509 29.420 1.00 8.08 O HETATM 1076 O HOH A 176 4.587 19.470 29.695 1.00 9.78 O HETATM 1077 O HOH A 177 7.454 28.940 29.204 1.00 40.33 O HETATM 1078 O HOH A 178 14.692 11.757 46.107 1.00 33.47 O HETATM 1079 O HOH A 179 21.626 4.532 30.333 1.00 31.97 O HETATM 1080 O HOH A 180 16.780 4.306 21.354 1.00 15.57 O HETATM 1081 O HOH A 181 17.725 13.346 14.287 1.00 37.94 O HETATM 1082 O HOH A 182 17.165 18.332 13.921 1.00 38.67 O HETATM 1083 O HOH A 183 21.744 31.686 15.117 1.00 31.83 O HETATM 1084 O HOH A 184 11.295 10.843 17.736 1.00 27.49 O HETATM 1085 O HOH A 185 26.998 5.206 22.773 1.00 27.94 O HETATM 1086 O HOH A 186 12.572 18.684 13.443 1.00 27.41 O HETATM 1087 O HOH A 187 8.440 19.374 15.197 1.00 19.26 O HETATM 1088 O HOH A 188 3.616 21.305 15.359 1.00 36.03 O HETATM 1089 O HOH A 189 8.155 16.723 15.673 1.00 23.59 O HETATM 1090 O HOH A 190 11.179 15.021 15.966 1.00 34.73 O HETATM 1091 O HOH A 191 21.652 12.289 17.070 1.00 27.35 O HETATM 1092 O HOH A 192 21.571 28.459 17.739 1.00 19.52 O HETATM 1093 O HOH A 193 28.281 18.686 18.443 1.00 37.83 O HETATM 1094 O HOH A 194 14.174 6.346 19.868 1.00 41.22 O HETATM 1095 O HOH A 195 4.898 11.925 20.253 1.00 26.89 O HETATM 1096 O HOH A 196 5.650 9.201 21.304 1.00 33.23 O HETATM 1097 O HOH A 197 10.425 6.846 23.379 1.00 39.15 O HETATM 1098 O HOH A 198 26.446 14.238 23.266 1.00 18.28 O HETATM 1099 O HOH A 199 4.296 25.705 25.492 1.00 23.71 O HETATM 1100 O HOH A 200 8.929 6.051 26.238 1.00 24.35 O HETATM 1101 O HOH A 201 -0.098 18.599 26.038 1.00 15.71 O HETATM 1102 O HOH A 202 -2.213 16.128 27.645 1.00 28.80 O HETATM 1103 O HOH A 203 12.348 7.203 29.340 1.00 34.76 O HETATM 1104 O HOH A 204 -0.272 4.258 31.230 1.00 18.23 O HETATM 1105 O HOH A 205 25.925 4.699 31.700 1.00 38.55 O HETATM 1106 O HOH A 206 -2.423 17.433 31.793 1.00 17.58 O HETATM 1107 O HOH A 207 -2.175 23.937 32.381 1.00 23.73 O HETATM 1108 O HOH A 208 2.213 -5.041 32.476 1.00 18.58 O HETATM 1109 O HOH A 209 -1.342 6.911 32.330 1.00 24.19 O HETATM 1110 O HOH A 210 4.112 23.414 33.492 1.00 13.99 O HETATM 1111 O HOH A 211 19.005 4.382 33.155 1.00 46.32 O HETATM 1112 O HOH A 212 24.512 16.003 34.818 1.00 16.70 O HETATM 1113 O HOH A 213 10.605 25.609 35.185 1.00 17.84 O HETATM 1114 O HOH A 214 -2.182 18.621 35.078 1.00 17.42 O HETATM 1115 O HOH A 215 20.331 10.780 36.503 1.00 23.15 O HETATM 1116 O HOH A 216 13.192 25.266 36.354 1.00 17.11 O HETATM 1117 O HOH A 217 24.083 23.431 37.008 1.00 22.93 O HETATM 1118 O HOH A 218 26.682 21.847 37.047 1.00 41.07 O HETATM 1119 O HOH A 219 21.690 7.801 39.053 1.00 25.88 O HETATM 1120 O HOH A 220 13.755 24.229 39.370 1.00 30.99 O HETATM 1121 O HOH A 221 16.054 6.914 39.920 1.00 51.69 O HETATM 1122 O HOH A 222 14.041 20.972 39.795 1.00 13.48 O HETATM 1123 O HOH A 223 3.199 20.510 41.897 1.00 33.92 O HETATM 1124 O HOH A 224 9.748 -1.089 42.640 1.00 37.54 O HETATM 1125 O HOH A 225 4.483 7.647 42.990 1.00 14.96 O HETATM 1126 O HOH A 226 0.479 1.222 42.992 1.00 52.37 O HETATM 1127 O HOH A 227 -4.066 4.723 43.667 1.00 29.67 O HETATM 1128 O HOH A 228 2.326 15.316 43.594 1.00 18.35 O HETATM 1129 O HOH A 229 2.777 5.414 44.787 1.00 37.13 O HETATM 1130 O HOH A 230 4.522 8.121 45.605 1.00 27.31 O HETATM 1131 O HOH A 231 3.478 11.230 45.936 1.00 31.08 O CONECT 53 1017 CONECT 243 916 CONECT 534 642 CONECT 612 738 CONECT 642 534 CONECT 738 612 CONECT 916 243 CONECT 1017 53 END