USER MOD reduce.3.24.130724 H: found=0, std=0, add=995, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (O-GLYCOSYL) 02-OCT-91 1LHM TITLE THE CRYSTAL STRUCTURE OF A MUTANT LYSOZYME C77(SLASH)95A TITLE 2 WITH INCREASED SECRETION EFFICIENCY IN YEAST 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 REVDAT 3 24-FEB-09 1LHM 1 VERSN REVDAT 2 01-APR-03 1LHM 1 JRNL REVDAT 1 15-APR-92 1LHM 0 JRNL AUTH K.INAKA,Y.TANIYAMA,M.KIKUCHI,K.MORIKAWA, JRNL AUTH 2 M.MATSUSHIMA JRNL TITL THE CRYSTAL STRUCTURE OF A MUTANT HUMAN LYSOZYME JRNL TITL 2 C77/95A WITH INCREASED SECRETION EFFICIENCY IN JRNL TITL 3 YEAST. JRNL REF J.BIOL.CHEM. V. 266 12599 1991 JRNL REFN ISSN 0021-9258 JRNL PMID 2061330 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.TANIYAMA,Y.YAMAMOTO,N.NAKAO M.KIKUCHI,M.IKEHARA REMARK 1 TITL ROLE OF DISULFIDE BONDS IN FOLDING AND SECRETION REMARK 1 TITL 2 OF HUMAN LYSOZYME IN SACCHAROMYCES CEREVISIAE REMARK 1 REF BIOCHEM.BIOPHYS.RES.COMMUN. V. 152 962 1988 REMARK 1 REFN ISSN 0006-291X 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) : NULL REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL 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 : 1027 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) : NULL ; 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 1LHM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.86 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.98 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 28.30500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.84500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.42500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.84500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.30500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.42500 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: 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 10 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 5.5 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -6.1 DEGREES REMARK 500 ARG A 50 CD - NE - CZ ANGL. DEV. = 9.5 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 4.1 DEGREES REMARK 500 ARG A 50 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES REMARK 500 ARG A 62 CD - NE - CZ ANGL. DEV. = -9.2 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ARG A 98 NE - CZ - NH1 ANGL. DEV. = 5.8 DEGREES REMARK 500 ARG A 98 NE - CZ - NH2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ARG A 101 NE - CZ - NH1 ANGL. DEV. = 6.3 DEGREES REMARK 500 ARG A 101 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 ARG A 115 NH1 - CZ - NH2 ANGL. DEV. = 6.8 DEGREES REMARK 500 ARG A 115 NE - CZ - NH2 ANGL. DEV. = -9.4 DEGREES REMARK 500 ASP A 120 CB - CG - OD2 ANGL. DEV. = -5.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 145 DISTANCE = 8.21 ANGSTROMS DBREF 1LHM A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 1LHM ALA A 77 UNP P61626 CYS 95 CONFLICT SEQADV 1LHM ALA A 95 UNP P61626 CYS 113 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 ALA 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 ALA ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL FORMUL 2 HOH *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 VAL A 110 CYS A 116 1 7 SHEET 1 A 2 LYS A 1 PHE A 3 0 SHEET 2 A 2 TYR A 38 THR A 40 -1 N THR A 40 O LYS A 1 SHEET 1 B 3 ALA A 42 ASN A 46 0 SHEET 2 B 3 SER A 51 GLY A 55 -1 N GLY A 55 O ALA A 42 SHEET 3 B 3 ILE A 59 SER A 61 -1 N SER A 61 O THR A 52 SSBOND *** CYS A 6 CYS A 128 1555 1555 2.02 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.04 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.04 CRYST1 56.610 60.850 33.690 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 0.017665 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016434 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029682 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 124:sc= 1.18 USER MOD Set 1.2: A 70 THR OG1 : rot 95:sc= 2.87 USER MOD Set 2.1: A 44 ASN :FLIP amide:sc= -0.28 F(o=3.3,f=4.4) USER MOD Set 2.2: A 46 ASN : amide:sc= -0.281 K(o=4.4,f=3.7) USER MOD Set 2.3: A 51 SER OG : rot -80:sc= 1.78 USER MOD Set 2.4: A 60 ASN : amide:sc= 3.16 K(o=4.4,f=-2.3!) USER MOD Set 3.1: A 24 SER OG : rot 160:sc= 0.42 USER MOD Set 3.2: A 27 ASN : amide:sc= 1.47 K(o=1.9,f=0.79!) USER MOD Set 4.1: A 1 LYS N :NH3+ 175:sc= 2.12 (180deg=1.28) USER MOD Set 4.2: A 40 THR OG1 : rot 108:sc= 1.35 USER MOD Single : A 1 LYS NZ :NH3+ -174:sc= 1.07 (180deg=1.06) USER MOD Single : A 11 THR OG1 : rot 77:sc= 0.838 USER MOD Single : A 13 LYS NZ :NH3+ 163:sc= -0.256 (180deg=-1.12) USER MOD Single : A 17 MET CE :methyl 156:sc= -0.251 (180deg=-1.28) USER MOD Single : A 20 TYR OH : rot 30:sc= 0.118 USER MOD Single : A 29 MET CE :methyl -172:sc= -0.4 (180deg=-0.502) USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= -0.0793 (180deg=-1.46!) USER MOD Single : A 36 SER OG : rot -103:sc= 1.18 USER MOD Single : A 38 TYR OH : rot -15:sc= 0.942 USER MOD Single : A 39 ASN : amide:sc= 0.509 K(o=0.51,f=-5.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 0.9 USER MOD Single : A 52 THR OG1 : rot 87:sc= 2.07 USER MOD Single : A 54 TYR OH : rot 5:sc= 2.13 USER MOD Single : A 58 GLN : amide:sc= 0.853 K(o=0.85,f=0.087) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.77 K(o=1.8,f=-0.88) USER MOD Single : A 69 LYS NZ :NH3+ 153:sc= 0.55 (180deg=0.24) USER MOD Single : A 75 ASN : amide:sc= -1.02 K(o=-1,f=-7.7!) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -0.742 F(o=-1.3,f=-0.74) USER MOD Single : A 80 SER OG : rot 180:sc= 0.0173 USER MOD Single : A 82 SER OG : rot -96:sc= 0.341 USER MOD Single : A 86 GLN : amide:sc= 1.46 X(o=1.5,f=1.3) USER MOD Single : A 88 ASN : amide:sc= 0.862 K(o=0.86,f=-5.8!) USER MOD Single : A 97 LYS NZ :NH3+ -171:sc= 1.7 (180deg=1.58) USER MOD Single : A 104 GLN : amide:sc= -0.304 X(o=-0.3,f=0) USER MOD Single : A 114 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 117 GLN :FLIP amide:sc= 0 F(o=-1.7,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.61 X(o=-0.61,f=-0.17) USER MOD Single : A 123 GLN : amide:sc= 1.24 K(o=1.2,f=-0.34) USER MOD Single : A 124 TYR OH : rot 30:sc= 1.38 USER MOD Single : A 126 GLN : amide:sc= -0.0142 K(o=-0.014,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 1.004 19.499 22.724 1.00 13.68 N ATOM 2 CA LYS A 1 1.528 20.426 21.700 1.00 13.71 C ATOM 3 C LYS A 1 2.798 19.775 21.137 1.00 13.07 C ATOM 4 O LYS A 1 3.536 19.171 21.919 1.00 12.37 O ATOM 5 CB LYS A 1 1.833 21.754 22.359 1.00 13.61 C ATOM 6 CG LYS A 1 3.067 22.495 21.933 1.00 16.01 C ATOM 7 CD LYS A 1 3.159 23.911 22.502 1.00 17.70 C ATOM 8 CE LYS A 1 4.024 24.759 21.548 1.00 19.07 C ATOM 9 NZ LYS A 1 4.475 25.903 22.386 1.00 24.83 N ATOM 0 H1 LYS A 1 0.305 19.870 23.131 1.00 13.68 H new ATOM 0 H2 LYS A 1 0.752 18.739 22.336 1.00 13.68 H new ATOM 0 H3 LYS A 1 1.639 19.329 23.324 1.00 13.68 H new ATOM 0 HA LYS A 1 0.894 20.590 20.984 1.00 13.71 H new ATOM 0 HB2 LYS A 1 1.072 22.338 22.213 1.00 13.61 H new ATOM 0 HB3 LYS A 1 1.895 21.602 23.315 1.00 13.61 H new ATOM 0 HG2 LYS A 1 3.849 21.992 22.210 1.00 16.01 H new ATOM 0 HG3 LYS A 1 3.089 22.542 20.964 1.00 16.01 H new ATOM 0 HD2 LYS A 1 2.274 24.298 22.590 1.00 17.70 H new ATOM 0 HD3 LYS A 1 3.551 23.894 23.389 1.00 17.70 H new ATOM 0 HE2 LYS A 1 4.777 24.251 21.206 1.00 19.07 H new ATOM 0 HE3 LYS A 1 3.514 25.061 20.781 1.00 19.07 H new ATOM 0 HZ1 LYS A 1 4.913 26.489 21.879 1.00 24.83 H new ATOM 0 HZ2 LYS A 1 3.768 26.300 22.753 1.00 24.83 H new ATOM 0 HZ3 LYS A 1 5.015 25.606 23.029 1.00 24.83 H new ATOM 10 N VAL A 2 2.963 19.949 19.831 1.00 12.92 N ATOM 11 CA VAL A 2 4.139 19.470 19.100 1.00 12.99 C ATOM 12 C VAL A 2 4.970 20.728 18.783 1.00 13.45 C ATOM 13 O VAL A 2 4.568 21.566 17.958 1.00 13.27 O ATOM 14 CB VAL A 2 3.788 18.729 17.786 1.00 13.92 C ATOM 15 CG1 VAL A 2 5.039 18.436 16.971 1.00 14.82 C ATOM 16 CG2 VAL A 2 2.965 17.494 18.035 1.00 13.09 C ATOM 0 H VAL A 2 2.389 20.354 19.334 1.00 12.92 H new ATOM 0 HA VAL A 2 4.616 18.822 19.641 1.00 12.99 H new ATOM 0 HB VAL A 2 3.232 19.322 17.256 1.00 13.92 H new ATOM 0 HG11 VAL A 2 4.793 17.973 16.155 1.00 14.82 H new ATOM 0 HG12 VAL A 2 5.483 19.269 16.748 1.00 14.82 H new ATOM 0 HG13 VAL A 2 5.640 17.879 17.490 1.00 14.82 H new ATOM 0 HG21 VAL A 2 2.767 17.061 17.190 1.00 13.09 H new ATOM 0 HG22 VAL A 2 3.461 16.883 18.603 1.00 13.09 H new ATOM 0 HG23 VAL A 2 2.136 17.741 18.473 1.00 13.09 H new ATOM 17 N PHE A 3 6.091 20.859 19.492 1.00 12.53 N ATOM 18 CA PHE A 3 6.949 22.020 19.255 1.00 12.03 C ATOM 19 C PHE A 3 7.701 21.924 17.917 1.00 11.53 C ATOM 20 O PHE A 3 8.034 20.873 17.392 1.00 11.12 O ATOM 21 CB PHE A 3 8.031 22.103 20.363 1.00 11.77 C ATOM 22 CG PHE A 3 7.618 22.711 21.657 1.00 12.17 C ATOM 23 CD1 PHE A 3 6.909 21.992 22.620 1.00 12.67 C ATOM 24 CD2 PHE A 3 7.915 24.071 21.872 1.00 11.24 C ATOM 25 CE1 PHE A 3 6.524 22.618 23.815 1.00 12.95 C ATOM 26 CE2 PHE A 3 7.544 24.663 23.061 1.00 10.61 C ATOM 27 CZ PHE A 3 6.885 23.972 24.050 1.00 12.28 C ATOM 0 H PHE A 3 6.366 20.309 20.094 1.00 12.53 H new ATOM 0 HA PHE A 3 6.368 22.797 19.249 1.00 12.03 H new ATOM 0 HB2 PHE A 3 8.353 21.205 20.540 1.00 11.77 H new ATOM 0 HB3 PHE A 3 8.781 22.610 20.016 1.00 11.77 H new ATOM 0 HD1 PHE A 3 6.692 21.100 22.470 1.00 12.67 H new ATOM 0 HD2 PHE A 3 8.357 24.564 21.219 1.00 11.24 H new ATOM 0 HE1 PHE A 3 6.034 22.148 24.451 1.00 12.95 H new ATOM 0 HE2 PHE A 3 7.747 25.560 23.198 1.00 10.61 H new ATOM 0 HZ PHE A 3 6.679 24.383 24.858 1.00 12.28 H new ATOM 28 N GLU A 4 7.989 23.109 17.401 1.00 11.98 N ATOM 29 CA GLU A 4 8.826 23.280 16.209 1.00 12.51 C ATOM 30 C GLU A 4 10.233 23.302 16.840 1.00 11.88 C ATOM 31 O GLU A 4 10.349 23.771 18.005 1.00 10.59 O ATOM 32 CB GLU A 4 8.508 24.558 15.459 1.00 18.23 C ATOM 33 CG GLU A 4 7.124 24.620 14.795 1.00 26.58 C ATOM 34 CD GLU A 4 6.913 25.754 13.844 1.00 31.90 C ATOM 35 OE1 GLU A 4 7.975 25.960 13.179 1.00 36.84 O ATOM 36 OE2 GLU A 4 5.936 26.476 13.686 1.00 34.53 O ATOM 0 H GLU A 4 7.703 23.849 17.733 1.00 11.98 H new ATOM 0 HA GLU A 4 8.704 22.593 15.535 1.00 12.51 H new ATOM 0 HB2 GLU A 4 8.585 25.302 16.076 1.00 18.23 H new ATOM 0 HB3 GLU A 4 9.182 24.687 14.774 1.00 18.23 H new ATOM 0 HG2 GLU A 4 6.974 23.788 14.319 1.00 26.58 H new ATOM 0 HG3 GLU A 4 6.451 24.674 15.492 1.00 26.58 H new ATOM 37 N ARG A 5 11.250 22.810 16.147 1.00 12.32 N ATOM 38 CA ARG A 5 12.622 22.748 16.705 1.00 11.01 C ATOM 39 C ARG A 5 13.165 24.017 17.339 1.00 11.01 C ATOM 40 O ARG A 5 13.557 24.023 18.539 1.00 10.32 O ATOM 41 CB ARG A 5 13.610 22.307 15.616 1.00 12.47 C ATOM 42 CG ARG A 5 15.030 22.041 16.118 1.00 13.24 C ATOM 43 CD ARG A 5 15.890 21.599 14.980 1.00 13.98 C ATOM 44 NE ARG A 5 15.940 22.527 13.877 1.00 16.34 N ATOM 45 CZ ARG A 5 16.914 23.430 13.669 1.00 16.52 C ATOM 46 NH1 ARG A 5 17.908 23.554 14.548 1.00 17.30 N ATOM 47 NH2 ARG A 5 16.888 24.235 12.605 1.00 16.71 N ATOM 0 H ARG A 5 11.179 22.502 15.347 1.00 12.32 H new ATOM 0 HA ARG A 5 12.540 22.108 17.430 1.00 11.01 H new ATOM 0 HB2 ARG A 5 13.272 21.501 15.195 1.00 12.47 H new ATOM 0 HB3 ARG A 5 13.645 22.992 14.930 1.00 12.47 H new ATOM 0 HG2 ARG A 5 15.397 22.844 16.519 1.00 13.24 H new ATOM 0 HG3 ARG A 5 15.016 21.360 16.808 1.00 13.24 H new ATOM 0 HD2 ARG A 5 16.791 21.453 15.307 1.00 13.98 H new ATOM 0 HD3 ARG A 5 15.565 20.745 14.656 1.00 13.98 H new ATOM 0 HE ARG A 5 15.296 22.501 13.308 1.00 16.34 H new ATOM 0 HH11 ARG A 5 17.927 23.056 15.249 1.00 17.30 H new ATOM 0 HH12 ARG A 5 18.531 24.132 14.414 1.00 17.30 H new ATOM 0 HH21 ARG A 5 16.242 24.181 12.040 1.00 16.71 H new ATOM 0 HH22 ARG A 5 17.518 24.808 12.484 1.00 16.71 H new ATOM 48 N CYS A 6 13.285 25.107 16.600 1.00 9.67 N ATOM 49 CA CYS A 6 13.831 26.344 17.225 1.00 10.87 C ATOM 50 C CYS A 6 12.950 26.941 18.308 1.00 11.90 C ATOM 51 O CYS A 6 13.545 27.569 19.222 1.00 11.95 O ATOM 52 CB CYS A 6 14.240 27.341 16.129 1.00 10.99 C ATOM 53 SG CYS A 6 15.612 26.671 15.124 1.00 13.96 S ATOM 0 H CYS A 6 13.072 25.171 15.769 1.00 9.67 H new ATOM 0 HA CYS A 6 14.629 26.096 17.717 1.00 10.87 H new ATOM 0 HB2 CYS A 6 13.479 27.532 15.559 1.00 10.99 H new ATOM 0 HB3 CYS A 6 14.509 28.181 16.533 1.00 10.99 H new ATOM 54 N GLU A 7 11.618 26.820 18.227 1.00 10.89 N ATOM 55 CA GLU A 7 10.729 27.324 19.273 1.00 10.97 C ATOM 56 C GLU A 7 11.064 26.612 20.580 1.00 9.95 C ATOM 57 O GLU A 7 11.216 27.216 21.676 1.00 9.01 O ATOM 58 CB GLU A 7 9.276 27.048 18.908 1.00 14.70 C ATOM 59 CG GLU A 7 8.152 27.342 19.859 1.00 18.20 C ATOM 60 CD GLU A 7 6.791 26.693 19.625 1.00 19.32 C ATOM 61 OE1 GLU A 7 6.523 25.798 18.832 1.00 18.77 O ATOM 62 OE2 GLU A 7 5.974 27.186 20.447 1.00 21.47 O ATOM 0 H GLU A 7 11.211 26.446 17.568 1.00 10.89 H new ATOM 0 HA GLU A 7 10.851 28.282 19.368 1.00 10.97 H new ATOM 0 HB2 GLU A 7 9.092 27.543 18.094 1.00 14.70 H new ATOM 0 HB3 GLU A 7 9.217 26.106 18.686 1.00 14.70 H new ATOM 0 HG2 GLU A 7 8.447 27.089 20.748 1.00 18.20 H new ATOM 0 HG3 GLU A 7 8.020 28.303 19.867 1.00 18.20 H new ATOM 63 N LEU A 8 11.256 25.288 20.489 1.00 9.04 N ATOM 64 CA LEU A 8 11.649 24.556 21.709 1.00 8.77 C ATOM 65 C LEU A 8 13.004 25.003 22.243 1.00 7.11 C ATOM 66 O LEU A 8 13.192 25.088 23.458 1.00 8.07 O ATOM 67 CB LEU A 8 11.625 23.026 21.411 1.00 8.10 C ATOM 68 CG LEU A 8 11.980 22.222 22.667 1.00 7.11 C ATOM 69 CD1 LEU A 8 10.940 22.375 23.758 1.00 8.18 C ATOM 70 CD2 LEU A 8 12.130 20.752 22.244 1.00 8.37 C ATOM 0 H LEU A 8 11.171 24.816 19.775 1.00 9.04 H new ATOM 0 HA LEU A 8 11.010 24.758 22.410 1.00 8.77 H new ATOM 0 HB2 LEU A 8 10.745 22.768 21.094 1.00 8.10 H new ATOM 0 HB3 LEU A 8 12.254 22.820 20.702 1.00 8.10 H new ATOM 0 HG LEU A 8 12.808 22.556 23.045 1.00 7.11 H new ATOM 0 HD11 LEU A 8 11.203 21.852 24.531 1.00 8.18 H new ATOM 0 HD12 LEU A 8 10.869 23.309 24.009 1.00 8.18 H new ATOM 0 HD13 LEU A 8 10.081 22.062 23.433 1.00 8.18 H new ATOM 0 HD21 LEU A 8 12.356 20.214 23.019 1.00 8.37 H new ATOM 0 HD22 LEU A 8 11.295 20.437 21.864 1.00 8.37 H new ATOM 0 HD23 LEU A 8 12.835 20.676 21.582 1.00 8.37 H new ATOM 71 N ALA A 9 13.980 25.171 21.353 1.00 8.08 N ATOM 72 CA ALA A 9 15.350 25.542 21.758 1.00 9.74 C ATOM 73 C ALA A 9 15.346 26.811 22.608 1.00 9.96 C ATOM 74 O ALA A 9 15.939 26.883 23.679 1.00 9.30 O ATOM 75 CB ALA A 9 16.193 25.676 20.490 1.00 8.83 C ATOM 0 H ALA A 9 13.876 25.076 20.505 1.00 8.08 H new ATOM 0 HA ALA A 9 15.740 24.856 22.321 1.00 9.74 H new ATOM 0 HB1 ALA A 9 17.101 25.920 20.729 1.00 8.83 H new ATOM 0 HB2 ALA A 9 16.200 24.830 20.015 1.00 8.83 H new ATOM 0 HB3 ALA A 9 15.813 26.363 19.920 1.00 8.83 H new ATOM 76 N ARG A 10 14.609 27.807 22.132 1.00 10.87 N ATOM 77 CA ARG A 10 14.476 29.120 22.827 1.00 11.39 C ATOM 78 C ARG A 10 13.738 29.010 24.161 1.00 11.02 C ATOM 79 O ARG A 10 14.116 29.663 25.162 1.00 10.44 O ATOM 80 CB ARG A 10 13.818 30.156 21.910 1.00 12.14 C ATOM 81 CG ARG A 10 14.688 30.414 20.671 1.00 12.82 C ATOM 82 CD ARG A 10 14.121 31.521 19.875 1.00 15.48 C ATOM 83 NE ARG A 10 12.873 31.282 19.177 1.00 14.42 N ATOM 84 CZ ARG A 10 12.903 30.879 17.901 1.00 12.83 C ATOM 85 NH1 ARG A 10 14.037 30.712 17.253 1.00 13.16 N ATOM 86 NH2 ARG A 10 11.748 30.655 17.320 1.00 14.51 N ATOM 0 H ARG A 10 14.165 27.757 21.397 1.00 10.87 H new ATOM 0 HA ARG A 10 15.374 29.421 23.036 1.00 11.39 H new ATOM 0 HB2 ARG A 10 12.942 29.842 21.636 1.00 12.14 H new ATOM 0 HB3 ARG A 10 13.684 30.985 22.395 1.00 12.14 H new ATOM 0 HG2 ARG A 10 15.593 30.632 20.942 1.00 12.82 H new ATOM 0 HG3 ARG A 10 14.740 29.610 20.130 1.00 12.82 H new ATOM 0 HD2 ARG A 10 13.991 32.278 20.468 1.00 15.48 H new ATOM 0 HD3 ARG A 10 14.784 31.786 19.218 1.00 15.48 H new ATOM 0 HE ARG A 10 12.121 31.398 19.579 1.00 14.42 H new ATOM 0 HH11 ARG A 10 14.785 30.863 17.650 1.00 13.16 H new ATOM 0 HH12 ARG A 10 14.030 30.452 16.433 1.00 13.16 H new ATOM 0 HH21 ARG A 10 11.017 30.769 17.758 1.00 14.51 H new ATOM 0 HH22 ARG A 10 11.722 30.395 16.501 1.00 14.51 H new ATOM 87 N THR A 11 12.720 28.151 24.156 1.00 9.79 N ATOM 88 CA THR A 11 11.950 27.871 25.355 1.00 11.22 C ATOM 89 C THR A 11 12.875 27.232 26.422 1.00 10.70 C ATOM 90 O THR A 11 12.871 27.683 27.584 1.00 10.74 O ATOM 91 CB THR A 11 10.698 26.935 25.106 1.00 10.75 C ATOM 92 OG1 THR A 11 9.885 27.653 24.097 1.00 13.73 O ATOM 93 CG2 THR A 11 9.964 26.652 26.403 1.00 11.52 C ATOM 0 H THR A 11 12.461 27.719 23.459 1.00 9.79 H new ATOM 0 HA THR A 11 11.598 28.721 25.664 1.00 11.22 H new ATOM 0 HB THR A 11 10.937 26.054 24.778 1.00 10.75 H new ATOM 0 HG1 THR A 11 10.235 27.562 23.339 1.00 13.73 H new ATOM 0 HG21 THR A 11 9.203 26.078 26.225 1.00 11.52 H new ATOM 0 HG22 THR A 11 10.563 26.210 27.025 1.00 11.52 H new ATOM 0 HG23 THR A 11 9.656 27.487 26.789 1.00 11.52 H new ATOM 94 N LEU A 12 13.609 26.188 26.028 1.00 9.63 N ATOM 95 CA LEU A 12 14.525 25.540 26.979 1.00 9.73 C ATOM 96 C LEU A 12 15.594 26.512 27.476 1.00 9.78 C ATOM 97 O LEU A 12 15.944 26.496 28.651 1.00 10.19 O ATOM 98 CB LEU A 12 15.109 24.284 26.335 1.00 9.27 C ATOM 99 CG LEU A 12 14.147 23.157 25.976 1.00 11.12 C ATOM 100 CD1 LEU A 12 15.000 21.978 25.439 1.00 11.03 C ATOM 101 CD2 LEU A 12 13.329 22.706 27.193 1.00 11.47 C ATOM 0 H LEU A 12 13.595 25.846 25.239 1.00 9.63 H new ATOM 0 HA LEU A 12 14.035 25.269 27.771 1.00 9.73 H new ATOM 0 HB2 LEU A 12 15.571 24.551 25.525 1.00 9.27 H new ATOM 0 HB3 LEU A 12 15.779 23.924 26.937 1.00 9.27 H new ATOM 0 HG LEU A 12 13.514 23.465 25.309 1.00 11.12 H new ATOM 0 HD11 LEU A 12 14.418 21.240 25.200 1.00 11.03 H new ATOM 0 HD12 LEU A 12 15.494 22.266 24.656 1.00 11.03 H new ATOM 0 HD13 LEU A 12 15.622 21.689 26.125 1.00 11.03 H new ATOM 0 HD21 LEU A 12 12.728 21.990 26.932 1.00 11.47 H new ATOM 0 HD22 LEU A 12 13.928 22.388 27.886 1.00 11.47 H new ATOM 0 HD23 LEU A 12 12.812 23.454 27.531 1.00 11.47 H new ATOM 102 N LYS A 13 16.124 27.339 26.593 1.00 10.69 N ATOM 103 CA LYS A 13 17.151 28.308 27.030 1.00 11.94 C ATOM 104 C LYS A 13 16.580 29.213 28.126 1.00 11.87 C ATOM 105 O LYS A 13 17.246 29.467 29.162 1.00 13.10 O ATOM 106 CB LYS A 13 17.638 29.196 25.885 1.00 14.35 C ATOM 107 CG LYS A 13 18.862 30.077 26.255 1.00 15.53 C ATOM 108 CD LYS A 13 19.635 30.280 24.949 1.00 21.75 C ATOM 109 CE LYS A 13 20.850 31.191 25.119 1.00 24.54 C ATOM 110 NZ LYS A 13 21.457 30.821 26.429 1.00 26.98 N ATOM 0 H LYS A 13 15.920 27.368 25.758 1.00 10.69 H new ATOM 0 HA LYS A 13 17.902 27.790 27.360 1.00 11.94 H new ATOM 0 HB2 LYS A 13 17.870 28.636 25.128 1.00 14.35 H new ATOM 0 HB3 LYS A 13 16.910 29.771 25.600 1.00 14.35 H new ATOM 0 HG2 LYS A 13 18.580 30.926 26.629 1.00 15.53 H new ATOM 0 HG3 LYS A 13 19.415 29.643 26.923 1.00 15.53 H new ATOM 0 HD2 LYS A 13 19.926 29.418 24.612 1.00 21.75 H new ATOM 0 HD3 LYS A 13 19.042 30.659 24.282 1.00 21.75 H new ATOM 0 HE2 LYS A 13 21.483 31.065 24.395 1.00 24.54 H new ATOM 0 HE3 LYS A 13 20.588 32.125 25.108 1.00 24.54 H new ATOM 0 HZ1 LYS A 13 22.289 31.135 26.470 1.00 26.98 H new ATOM 0 HZ2 LYS A 13 20.975 31.172 27.090 1.00 26.98 H new ATOM 0 HZ3 LYS A 13 21.470 29.935 26.511 1.00 26.98 H new ATOM 111 N ARG A 14 15.381 29.718 27.917 1.00 11.33 N ATOM 112 CA ARG A 14 14.710 30.620 28.865 1.00 11.98 C ATOM 113 C ARG A 14 14.464 29.974 30.225 1.00 12.09 C ATOM 114 O ARG A 14 14.511 30.628 31.276 1.00 12.48 O ATOM 115 CB ARG A 14 13.445 31.146 28.209 1.00 13.99 C ATOM 116 CG ARG A 14 12.738 32.285 28.903 1.00 21.93 C ATOM 117 CD ARG A 14 11.411 32.543 28.209 1.00 26.13 C ATOM 118 NE ARG A 14 11.672 32.650 26.782 1.00 29.78 N ATOM 119 CZ ARG A 14 11.076 32.056 25.749 1.00 30.96 C ATOM 120 NH1 ARG A 14 10.073 31.182 25.824 1.00 31.01 N ATOM 121 NH2 ARG A 14 11.583 32.399 24.546 1.00 32.43 N ATOM 0 H ARG A 14 14.917 29.551 27.213 1.00 11.33 H new ATOM 0 HA ARG A 14 15.293 31.369 29.066 1.00 11.98 H new ATOM 0 HB2 ARG A 14 13.668 31.433 27.310 1.00 13.99 H new ATOM 0 HB3 ARG A 14 12.820 30.409 28.125 1.00 13.99 H new ATOM 0 HG2 ARG A 14 12.591 32.068 29.837 1.00 21.93 H new ATOM 0 HG3 ARG A 14 13.288 33.084 28.881 1.00 21.93 H new ATOM 0 HD2 ARG A 14 10.787 31.822 28.388 1.00 26.13 H new ATOM 0 HD3 ARG A 14 11.005 33.358 28.543 1.00 26.13 H new ATOM 0 HE ARG A 14 12.314 33.182 26.571 1.00 29.78 H new ATOM 0 HH11 ARG A 14 9.755 30.957 26.591 1.00 31.01 H new ATOM 0 HH12 ARG A 14 9.743 30.843 25.106 1.00 31.01 H new ATOM 0 HH21 ARG A 14 12.235 32.957 24.498 1.00 32.43 H new ATOM 0 HH22 ARG A 14 11.254 32.059 23.828 1.00 32.43 H new ATOM 122 N LEU A 15 14.230 28.677 30.220 1.00 12.03 N ATOM 123 CA LEU A 15 13.964 27.825 31.384 1.00 12.77 C ATOM 124 C LEU A 15 15.242 27.385 32.106 1.00 12.45 C ATOM 125 O LEU A 15 15.187 26.667 33.106 1.00 13.05 O ATOM 126 CB LEU A 15 13.030 26.676 30.936 1.00 12.39 C ATOM 127 CG LEU A 15 11.612 27.088 30.515 1.00 12.13 C ATOM 128 CD1 LEU A 15 10.752 25.877 30.162 1.00 11.32 C ATOM 129 CD2 LEU A 15 10.947 27.799 31.695 1.00 13.31 C ATOM 0 H LEU A 15 14.220 28.229 29.486 1.00 12.03 H new ATOM 0 HA LEU A 15 13.502 28.329 32.071 1.00 12.77 H new ATOM 0 HB2 LEU A 15 13.448 26.214 30.192 1.00 12.39 H new ATOM 0 HB3 LEU A 15 12.960 26.038 31.663 1.00 12.39 H new ATOM 0 HG LEU A 15 11.683 27.660 29.735 1.00 12.13 H new ATOM 0 HD11 LEU A 15 9.866 26.174 29.902 1.00 11.32 H new ATOM 0 HD12 LEU A 15 11.160 25.394 29.426 1.00 11.32 H new ATOM 0 HD13 LEU A 15 10.683 25.293 30.933 1.00 11.32 H new ATOM 0 HD21 LEU A 15 10.048 28.067 31.447 1.00 13.31 H new ATOM 0 HD22 LEU A 15 10.906 27.197 32.455 1.00 13.31 H new ATOM 0 HD23 LEU A 15 11.464 28.584 31.933 1.00 13.31 H new ATOM 130 N GLY A 16 16.382 27.846 31.585 1.00 12.00 N ATOM 131 CA GLY A 16 17.686 27.598 32.178 1.00 11.06 C ATOM 132 C GLY A 16 18.261 26.211 31.966 1.00 11.43 C ATOM 133 O GLY A 16 19.026 25.794 32.856 1.00 12.59 O ATOM 0 H GLY A 16 16.414 28.318 30.867 1.00 12.00 H new ATOM 0 HA2 GLY A 16 18.313 28.246 31.820 1.00 11.06 H new ATOM 0 HA3 GLY A 16 17.624 27.760 33.132 1.00 11.06 H new ATOM 134 N MET A 17 17.999 25.576 30.847 1.00 10.42 N ATOM 135 CA MET A 17 18.537 24.212 30.595 1.00 11.61 C ATOM 136 C MET A 17 19.950 24.238 30.013 1.00 11.95 C ATOM 137 O MET A 17 20.652 23.194 30.082 1.00 13.93 O ATOM 138 CB MET A 17 17.639 23.408 29.670 1.00 11.12 C ATOM 139 CG MET A 17 16.255 23.155 30.245 1.00 15.23 C ATOM 140 SD MET A 17 16.446 21.994 31.645 1.00 18.06 S ATOM 141 CE MET A 17 15.949 20.457 30.846 1.00 18.42 C ATOM 0 H MET A 17 17.517 25.896 30.210 1.00 10.42 H new ATOM 0 HA MET A 17 18.567 23.783 31.464 1.00 11.61 H new ATOM 0 HB2 MET A 17 17.551 23.878 28.826 1.00 11.12 H new ATOM 0 HB3 MET A 17 18.063 22.557 29.477 1.00 11.12 H new ATOM 0 HG2 MET A 17 15.852 23.986 30.543 1.00 15.23 H new ATOM 0 HG3 MET A 17 15.668 22.781 29.569 1.00 15.23 H new ATOM 0 HE1 MET A 17 16.342 19.705 31.317 1.00 18.42 H new ATOM 0 HE2 MET A 17 14.982 20.380 30.865 1.00 18.42 H new ATOM 0 HE3 MET A 17 16.255 20.457 29.926 1.00 18.42 H new ATOM 142 N ASP A 18 20.325 25.352 29.414 1.00 12.72 N ATOM 143 CA ASP A 18 21.698 25.345 28.788 1.00 13.43 C ATOM 144 C ASP A 18 22.793 25.199 29.839 1.00 13.38 C ATOM 145 O ASP A 18 22.996 26.093 30.663 1.00 13.74 O ATOM 146 CB ASP A 18 21.885 26.523 27.848 1.00 13.41 C ATOM 147 CG ASP A 18 23.089 26.352 26.947 1.00 16.24 C ATOM 148 OD1 ASP A 18 23.553 25.238 26.622 1.00 16.20 O ATOM 149 OD2 ASP A 18 23.606 27.434 26.508 1.00 18.86 O ATOM 0 H ASP A 18 19.868 26.077 29.345 1.00 12.72 H new ATOM 0 HA ASP A 18 21.777 24.556 28.229 1.00 13.43 H new ATOM 0 HB2 ASP A 18 21.089 26.630 27.304 1.00 13.41 H new ATOM 0 HB3 ASP A 18 21.985 27.336 28.367 1.00 13.41 H new ATOM 150 N GLY A 19 23.505 24.083 29.815 1.00 13.27 N ATOM 151 CA GLY A 19 24.625 23.792 30.721 1.00 11.97 C ATOM 152 C GLY A 19 24.166 23.343 32.073 1.00 11.86 C ATOM 153 O GLY A 19 24.984 23.324 33.001 1.00 13.57 O ATOM 0 H GLY A 19 23.351 23.448 29.255 1.00 13.27 H new ATOM 0 HA2 GLY A 19 25.185 23.104 30.328 1.00 11.97 H new ATOM 0 HA3 GLY A 19 25.175 24.585 30.816 1.00 11.97 H new ATOM 154 N TYR A 20 22.882 23.026 32.232 1.00 11.55 N ATOM 155 CA TYR A 20 22.335 22.567 33.532 1.00 10.93 C ATOM 156 C TYR A 20 23.056 21.246 33.867 1.00 11.34 C ATOM 157 O TYR A 20 23.038 20.263 33.151 1.00 10.36 O ATOM 158 CB TYR A 20 20.775 22.392 33.571 1.00 10.07 C ATOM 159 CG TYR A 20 20.314 22.170 35.004 1.00 11.01 C ATOM 160 CD1 TYR A 20 20.017 23.230 35.874 1.00 10.70 C ATOM 161 CD2 TYR A 20 20.167 20.867 35.493 1.00 9.90 C ATOM 162 CE1 TYR A 20 19.640 22.972 37.184 1.00 11.90 C ATOM 163 CE2 TYR A 20 19.752 20.580 36.787 1.00 10.73 C ATOM 164 CZ TYR A 20 19.512 21.656 37.633 1.00 12.93 C ATOM 165 OH TYR A 20 19.103 21.401 38.923 1.00 13.96 O ATOM 0 H TYR A 20 22.300 23.067 31.601 1.00 11.55 H new ATOM 0 HA TYR A 20 22.499 23.256 34.195 1.00 10.93 H new ATOM 0 HB2 TYR A 20 20.344 23.179 33.203 1.00 10.07 H new ATOM 0 HB3 TYR A 20 20.512 21.640 33.018 1.00 10.07 H new ATOM 0 HD1 TYR A 20 20.073 24.108 35.572 1.00 10.70 H new ATOM 0 HD2 TYR A 20 20.357 20.157 34.923 1.00 9.90 H new ATOM 0 HE1 TYR A 20 19.472 23.678 37.765 1.00 11.90 H new ATOM 0 HE2 TYR A 20 19.639 19.703 37.076 1.00 10.73 H new ATOM 0 HH TYR A 20 18.598 22.019 39.184 1.00 13.96 H new ATOM 166 N ARG A 21 23.668 21.273 35.051 1.00 12.43 N ATOM 167 CA ARG A 21 24.464 20.150 35.553 1.00 13.80 C ATOM 168 C ARG A 21 25.422 19.650 34.476 1.00 13.30 C ATOM 169 O ARG A 21 25.605 18.429 34.322 1.00 12.53 O ATOM 170 CB ARG A 21 23.572 19.034 36.099 1.00 15.39 C ATOM 171 CG ARG A 21 22.864 19.418 37.371 1.00 18.80 C ATOM 172 CD ARG A 21 23.656 19.152 38.573 1.00 24.47 C ATOM 173 NE ARG A 21 23.922 17.708 38.740 1.00 28.67 N ATOM 174 CZ ARG A 21 24.841 17.295 39.630 1.00 30.16 C ATOM 175 NH1 ARG A 21 25.580 18.204 40.278 1.00 31.61 N ATOM 176 NH2 ARG A 21 25.003 15.985 39.830 1.00 31.56 N ATOM 0 H ARG A 21 23.634 21.944 35.587 1.00 12.43 H new ATOM 0 HA ARG A 21 25.001 20.463 36.298 1.00 13.80 H new ATOM 0 HB2 ARG A 21 22.914 18.795 35.428 1.00 15.39 H new ATOM 0 HB3 ARG A 21 24.112 18.245 36.261 1.00 15.39 H new ATOM 0 HG2 ARG A 21 22.642 20.362 37.339 1.00 18.80 H new ATOM 0 HG3 ARG A 21 22.027 18.932 37.428 1.00 18.80 H new ATOM 0 HD2 ARG A 21 24.497 19.633 38.520 1.00 24.47 H new ATOM 0 HD3 ARG A 21 23.186 19.487 39.352 1.00 24.47 H new ATOM 0 HE ARG A 21 23.490 17.133 38.269 1.00 28.67 H new ATOM 0 HH11 ARG A 21 25.464 19.042 40.123 1.00 31.61 H new ATOM 0 HH12 ARG A 21 26.171 17.950 40.849 1.00 31.61 H new ATOM 0 HH21 ARG A 21 24.523 15.421 39.393 1.00 31.56 H new ATOM 0 HH22 ARG A 21 25.587 15.705 40.396 1.00 31.56 H new ATOM 177 N GLY A 22 26.007 20.550 33.723 1.00 12.78 N ATOM 178 CA GLY A 22 26.995 20.322 32.660 1.00 12.88 C ATOM 179 C GLY A 22 26.451 19.841 31.337 1.00 12.08 C ATOM 180 O GLY A 22 27.235 19.464 30.425 1.00 11.79 O ATOM 0 H GLY A 22 25.831 21.387 33.817 1.00 12.78 H new ATOM 0 HA2 GLY A 22 27.477 21.150 32.509 1.00 12.88 H new ATOM 0 HA3 GLY A 22 27.641 19.672 32.978 1.00 12.88 H new ATOM 181 N ILE A 23 25.130 19.851 31.178 1.00 11.38 N ATOM 182 CA ILE A 23 24.495 19.370 29.912 1.00 10.59 C ATOM 183 C ILE A 23 24.094 20.545 29.005 1.00 10.66 C ATOM 184 O ILE A 23 23.213 21.369 29.371 1.00 10.46 O ATOM 185 CB ILE A 23 23.206 18.548 30.287 1.00 9.55 C ATOM 186 CG1 ILE A 23 23.544 17.440 31.331 1.00 9.72 C ATOM 187 CG2 ILE A 23 22.428 18.087 29.043 1.00 8.64 C ATOM 188 CD1 ILE A 23 22.340 16.962 32.212 1.00 9.62 C ATOM 0 H ILE A 23 24.575 20.126 31.774 1.00 11.38 H new ATOM 0 HA ILE A 23 25.133 18.821 29.430 1.00 10.59 H new ATOM 0 HB ILE A 23 22.574 19.130 30.737 1.00 9.55 H new ATOM 0 HG12 ILE A 23 23.906 16.673 30.861 1.00 9.72 H new ATOM 0 HG13 ILE A 23 24.243 17.770 31.917 1.00 9.72 H new ATOM 0 HG21 ILE A 23 21.644 17.586 29.318 1.00 8.64 H new ATOM 0 HG22 ILE A 23 22.152 18.861 28.528 1.00 8.64 H new ATOM 0 HG23 ILE A 23 22.997 17.522 28.496 1.00 8.64 H new ATOM 0 HD11 ILE A 23 22.642 16.276 32.828 1.00 9.62 H new ATOM 0 HD12 ILE A 23 21.987 17.714 32.713 1.00 9.62 H new ATOM 0 HD13 ILE A 23 21.645 16.599 31.641 1.00 9.62 H new ATOM 189 N SER A 24 24.705 20.557 27.833 1.00 10.24 N ATOM 190 CA SER A 24 24.459 21.593 26.805 1.00 9.30 C ATOM 191 C SER A 24 23.007 21.534 26.289 1.00 9.32 C ATOM 192 O SER A 24 22.342 20.465 26.263 1.00 9.01 O ATOM 193 CB SER A 24 25.416 21.447 25.632 1.00 8.25 C ATOM 194 OG SER A 24 25.092 20.279 24.825 1.00 9.98 O ATOM 0 H SER A 24 25.282 19.965 27.596 1.00 10.24 H new ATOM 0 HA SER A 24 24.610 22.452 27.229 1.00 9.30 H new ATOM 0 HB2 SER A 24 25.378 22.244 25.080 1.00 8.25 H new ATOM 0 HB3 SER A 24 26.325 21.373 25.961 1.00 8.25 H new ATOM 0 HG SER A 24 25.437 20.360 24.064 1.00 9.98 H new ATOM 195 N LEU A 25 22.537 22.675 25.798 1.00 9.45 N ATOM 196 CA LEU A 25 21.169 22.740 25.228 1.00 9.95 C ATOM 197 C LEU A 25 20.977 21.733 24.099 1.00 10.86 C ATOM 198 O LEU A 25 19.905 21.095 24.001 1.00 9.79 O ATOM 199 CB LEU A 25 20.906 24.196 24.775 1.00 12.12 C ATOM 200 CG LEU A 25 19.540 24.521 24.193 1.00 14.61 C ATOM 201 CD1 LEU A 25 18.424 24.353 25.230 1.00 15.66 C ATOM 202 CD2 LEU A 25 19.512 25.979 23.721 1.00 14.57 C ATOM 0 H LEU A 25 22.974 23.415 25.779 1.00 9.45 H new ATOM 0 HA LEU A 25 20.517 22.494 25.903 1.00 9.95 H new ATOM 0 HB2 LEU A 25 21.050 24.776 25.539 1.00 12.12 H new ATOM 0 HB3 LEU A 25 21.575 24.427 24.112 1.00 12.12 H new ATOM 0 HG LEU A 25 19.391 23.907 23.457 1.00 14.61 H new ATOM 0 HD11 LEU A 25 17.570 24.568 24.824 1.00 15.66 H new ATOM 0 HD12 LEU A 25 18.410 23.436 25.545 1.00 15.66 H new ATOM 0 HD13 LEU A 25 18.585 24.949 25.978 1.00 15.66 H new ATOM 0 HD21 LEU A 25 18.639 26.183 23.350 1.00 14.57 H new ATOM 0 HD22 LEU A 25 19.689 26.566 24.473 1.00 14.57 H new ATOM 0 HD23 LEU A 25 20.191 26.112 23.041 1.00 14.57 H new ATOM 203 N ALA A 26 22.000 21.579 23.264 1.00 10.47 N ATOM 204 CA ALA A 26 21.921 20.655 22.112 1.00 10.19 C ATOM 205 C ALA A 26 21.660 19.222 22.570 1.00 9.55 C ATOM 206 O ALA A 26 20.965 18.469 21.829 1.00 9.24 O ATOM 207 CB ALA A 26 23.111 20.822 21.189 1.00 10.53 C ATOM 0 H ALA A 26 22.750 21.994 23.338 1.00 10.47 H new ATOM 0 HA ALA A 26 21.151 20.890 21.570 1.00 10.19 H new ATOM 0 HB1 ALA A 26 23.033 20.205 20.445 1.00 10.53 H new ATOM 0 HB2 ALA A 26 23.135 21.732 20.853 1.00 10.53 H new ATOM 0 HB3 ALA A 26 23.928 20.636 21.677 1.00 10.53 H new ATOM 208 N ASN A 27 22.147 18.852 23.737 1.00 9.21 N ATOM 209 CA ASN A 27 21.923 17.483 24.287 1.00 9.16 C ATOM 210 C ASN A 27 20.456 17.363 24.671 1.00 9.53 C ATOM 211 O ASN A 27 19.858 16.321 24.373 1.00 9.46 O ATOM 212 CB ASN A 27 22.835 17.152 25.462 1.00 9.14 C ATOM 213 CG ASN A 27 24.189 16.693 24.876 1.00 12.10 C ATOM 214 OD1 ASN A 27 24.331 15.611 24.294 1.00 12.39 O ATOM 215 ND2 ASN A 27 25.157 17.587 24.991 1.00 11.64 N ATOM 0 H ASN A 27 22.615 19.365 24.245 1.00 9.21 H new ATOM 0 HA ASN A 27 22.148 16.834 23.603 1.00 9.16 H new ATOM 0 HB2 ASN A 27 22.954 17.928 26.032 1.00 9.14 H new ATOM 0 HB3 ASN A 27 22.446 16.454 26.011 1.00 9.14 H new ATOM 0 HD21 ASN A 27 25.931 17.429 24.652 1.00 11.64 H new ATOM 0 HD22 ASN A 27 25.012 18.327 25.405 1.00 11.64 H new ATOM 216 N TRP A 28 19.947 18.366 25.399 1.00 9.72 N ATOM 217 CA TRP A 28 18.497 18.331 25.745 1.00 8.98 C ATOM 218 C TRP A 28 17.618 18.251 24.503 1.00 9.36 C ATOM 219 O TRP A 28 16.573 17.523 24.494 1.00 9.99 O ATOM 220 CB TRP A 28 18.180 19.577 26.560 1.00 9.46 C ATOM 221 CG TRP A 28 18.781 19.633 27.912 1.00 9.05 C ATOM 222 CD1 TRP A 28 19.711 20.540 28.368 1.00 8.90 C ATOM 223 CD2 TRP A 28 18.439 18.798 29.024 1.00 9.85 C ATOM 224 NE1 TRP A 28 19.949 20.326 29.707 1.00 8.68 N ATOM 225 CE2 TRP A 28 19.186 19.257 30.117 1.00 9.99 C ATOM 226 CE3 TRP A 28 17.588 17.710 29.181 1.00 9.63 C ATOM 227 CZ2 TRP A 28 19.099 18.668 31.376 1.00 12.07 C ATOM 228 CZ3 TRP A 28 17.506 17.106 30.414 1.00 10.68 C ATOM 229 CH2 TRP A 28 18.223 17.581 31.511 1.00 11.66 C ATOM 0 H TRP A 28 20.387 19.044 25.693 1.00 9.72 H new ATOM 0 HA TRP A 28 18.308 17.533 26.262 1.00 8.98 H new ATOM 0 HB2 TRP A 28 18.476 20.354 26.060 1.00 9.46 H new ATOM 0 HB3 TRP A 28 17.217 19.648 26.650 1.00 9.46 H new ATOM 0 HD1 TRP A 28 20.117 21.197 27.850 1.00 8.90 H new ATOM 0 HE1 TRP A 28 20.483 20.783 30.203 1.00 8.68 H new ATOM 0 HE3 TRP A 28 17.083 17.396 28.466 1.00 9.63 H new ATOM 0 HZ2 TRP A 28 19.599 18.981 32.095 1.00 12.07 H new ATOM 0 HZ3 TRP A 28 16.958 16.362 30.518 1.00 10.68 H new ATOM 0 HH2 TRP A 28 18.120 17.173 32.340 1.00 11.66 H new ATOM 230 N MET A 29 17.949 18.922 23.446 1.00 8.19 N ATOM 231 CA MET A 29 17.241 18.960 22.182 1.00 7.98 C ATOM 232 C MET A 29 17.283 17.544 21.568 1.00 9.33 C ATOM 233 O MET A 29 16.251 17.019 21.137 1.00 8.64 O ATOM 234 CB MET A 29 17.748 20.010 21.178 1.00 8.25 C ATOM 235 CG MET A 29 17.432 21.426 21.662 1.00 9.32 C ATOM 236 SD MET A 29 15.629 21.762 21.593 1.00 12.79 S ATOM 237 CE MET A 29 15.275 21.674 19.863 1.00 11.24 C ATOM 0 H MET A 29 18.654 19.415 23.434 1.00 8.19 H new ATOM 0 HA MET A 29 16.332 19.241 22.373 1.00 7.98 H new ATOM 0 HB2 MET A 29 18.705 19.912 21.057 1.00 8.25 H new ATOM 0 HB3 MET A 29 17.336 19.861 20.313 1.00 8.25 H new ATOM 0 HG2 MET A 29 17.750 21.539 22.571 1.00 9.32 H new ATOM 0 HG3 MET A 29 17.905 22.071 21.114 1.00 9.32 H new ATOM 0 HE1 MET A 29 14.363 21.963 19.704 1.00 11.24 H new ATOM 0 HE2 MET A 29 15.886 22.251 19.378 1.00 11.24 H new ATOM 0 HE3 MET A 29 15.382 20.760 19.557 1.00 11.24 H new ATOM 238 N CYS A 30 18.478 16.984 21.547 1.00 8.78 N ATOM 239 CA CYS A 30 18.644 15.616 20.997 1.00 10.54 C ATOM 240 C CYS A 30 17.733 14.649 21.773 1.00 9.86 C ATOM 241 O CYS A 30 17.041 13.847 21.133 1.00 10.26 O ATOM 242 CB CYS A 30 20.123 15.201 21.062 1.00 10.30 C ATOM 243 SG CYS A 30 20.430 13.590 20.246 1.00 11.85 S ATOM 0 H CYS A 30 19.199 17.354 21.834 1.00 8.78 H new ATOM 0 HA CYS A 30 18.381 15.592 20.064 1.00 10.54 H new ATOM 0 HB2 CYS A 30 20.667 15.884 20.640 1.00 10.30 H new ATOM 0 HB3 CYS A 30 20.402 15.150 21.990 1.00 10.30 H new ATOM 244 N LEU A 31 17.757 14.747 23.109 1.00 9.53 N ATOM 245 CA LEU A 31 16.945 13.919 23.967 1.00 9.99 C ATOM 246 C LEU A 31 15.451 14.080 23.658 1.00 11.19 C ATOM 247 O LEU A 31 14.811 13.014 23.490 1.00 11.11 O ATOM 248 CB LEU A 31 17.267 14.172 25.463 1.00 10.24 C ATOM 249 CG LEU A 31 16.326 13.420 26.408 1.00 9.64 C ATOM 250 CD1 LEU A 31 16.652 11.909 26.351 1.00 11.22 C ATOM 251 CD2 LEU A 31 16.431 13.954 27.827 1.00 11.37 C ATOM 0 H LEU A 31 18.254 15.306 23.533 1.00 9.53 H new ATOM 0 HA LEU A 31 17.169 12.993 23.782 1.00 9.99 H new ATOM 0 HB2 LEU A 31 18.182 13.903 25.643 1.00 10.24 H new ATOM 0 HB3 LEU A 31 17.210 15.123 25.646 1.00 10.24 H new ATOM 0 HG LEU A 31 15.410 13.558 26.122 1.00 9.64 H new ATOM 0 HD11 LEU A 31 16.059 11.427 26.948 1.00 11.22 H new ATOM 0 HD12 LEU A 31 16.531 11.586 25.445 1.00 11.22 H new ATOM 0 HD13 LEU A 31 17.572 11.766 26.625 1.00 11.22 H new ATOM 0 HD21 LEU A 31 15.826 13.462 28.404 1.00 11.37 H new ATOM 0 HD22 LEU A 31 17.341 13.847 28.147 1.00 11.37 H new ATOM 0 HD23 LEU A 31 16.193 14.894 27.837 1.00 11.37 H new ATOM 252 N ALA A 32 14.885 15.284 23.670 1.00 9.72 N ATOM 253 CA ALA A 32 13.450 15.462 23.381 1.00 8.99 C ATOM 254 C ALA A 32 13.080 14.916 22.011 1.00 9.06 C ATOM 255 O ALA A 32 11.965 14.383 21.792 1.00 8.61 O ATOM 256 CB ALA A 32 13.112 16.970 23.441 1.00 10.20 C ATOM 0 H ALA A 32 15.307 16.013 23.842 1.00 9.72 H new ATOM 0 HA ALA A 32 12.941 14.969 24.044 1.00 8.99 H new ATOM 0 HB1 ALA A 32 12.169 17.098 23.252 1.00 10.20 H new ATOM 0 HB2 ALA A 32 13.313 17.312 24.326 1.00 10.20 H new ATOM 0 HB3 ALA A 32 13.641 17.447 22.782 1.00 10.20 H new ATOM 257 N LYS A 33 13.980 15.127 21.052 1.00 8.24 N ATOM 258 CA LYS A 33 13.742 14.702 19.666 1.00 11.25 C ATOM 259 C LYS A 33 13.489 13.198 19.559 1.00 12.00 C ATOM 260 O LYS A 33 12.464 12.763 18.957 1.00 12.04 O ATOM 261 CB LYS A 33 14.830 15.167 18.731 1.00 14.03 C ATOM 262 CG LYS A 33 14.999 14.450 17.406 1.00 19.35 C ATOM 263 CD LYS A 33 13.844 14.639 16.464 1.00 22.24 C ATOM 264 CE LYS A 33 14.112 13.817 15.198 1.00 25.22 C ATOM 265 NZ LYS A 33 14.532 12.440 15.622 1.00 29.21 N ATOM 0 H LYS A 33 14.737 15.515 21.180 1.00 8.24 H new ATOM 0 HA LYS A 33 12.926 15.141 19.378 1.00 11.25 H new ATOM 0 HB2 LYS A 33 14.675 16.105 18.541 1.00 14.03 H new ATOM 0 HB3 LYS A 33 15.673 15.110 19.207 1.00 14.03 H new ATOM 0 HG2 LYS A 33 15.810 14.766 16.978 1.00 19.35 H new ATOM 0 HG3 LYS A 33 15.117 13.502 17.573 1.00 19.35 H new ATOM 0 HD2 LYS A 33 13.017 14.354 16.883 1.00 22.24 H new ATOM 0 HD3 LYS A 33 13.740 15.577 16.241 1.00 22.24 H new ATOM 0 HE2 LYS A 33 13.315 13.774 14.646 1.00 25.22 H new ATOM 0 HE3 LYS A 33 14.806 14.234 14.663 1.00 25.22 H new ATOM 0 HZ1 LYS A 33 14.361 11.862 14.967 1.00 29.21 H new ATOM 0 HZ2 LYS A 33 15.404 12.437 15.799 1.00 29.21 H new ATOM 0 HZ3 LYS A 33 14.081 12.203 16.352 1.00 29.21 H new ATOM 266 N TRP A 34 14.391 12.421 20.134 1.00 13.21 N ATOM 267 CA TRP A 34 14.294 10.953 20.104 1.00 12.66 C ATOM 268 C TRP A 34 13.305 10.417 21.106 1.00 13.04 C ATOM 269 O TRP A 34 12.716 9.339 20.849 1.00 14.68 O ATOM 270 CB TRP A 34 15.720 10.364 20.287 1.00 15.49 C ATOM 271 CG TRP A 34 16.448 10.670 19.018 1.00 16.12 C ATOM 272 CD1 TRP A 34 17.434 11.606 18.867 1.00 18.31 C ATOM 273 CD2 TRP A 34 16.212 10.101 17.733 1.00 18.61 C ATOM 274 NE1 TRP A 34 17.831 11.640 17.547 1.00 18.09 N ATOM 275 CE2 TRP A 34 17.091 10.729 16.838 1.00 19.21 C ATOM 276 CE3 TRP A 34 15.366 9.081 17.273 1.00 19.46 C ATOM 277 CZ2 TRP A 34 17.156 10.386 15.482 1.00 20.25 C ATOM 278 CZ3 TRP A 34 15.415 8.756 15.934 1.00 19.91 C ATOM 279 CH2 TRP A 34 16.305 9.378 15.054 1.00 20.70 C ATOM 0 H TRP A 34 15.079 12.720 20.554 1.00 13.21 H new ATOM 0 HA TRP A 34 13.944 10.672 19.244 1.00 12.66 H new ATOM 0 HB2 TRP A 34 16.167 10.763 21.050 1.00 15.49 H new ATOM 0 HB3 TRP A 34 15.685 9.408 20.447 1.00 15.49 H new ATOM 0 HD1 TRP A 34 17.782 12.136 19.547 1.00 18.31 H new ATOM 0 HE1 TRP A 34 18.443 12.149 17.222 1.00 18.09 H new ATOM 0 HE3 TRP A 34 14.790 8.638 17.853 1.00 19.46 H new ATOM 0 HZ2 TRP A 34 17.740 10.813 14.898 1.00 20.25 H new ATOM 0 HZ3 TRP A 34 14.839 8.104 15.607 1.00 19.91 H new ATOM 0 HH2 TRP A 34 16.327 9.111 14.164 1.00 20.70 H new ATOM 280 N GLU A 35 13.080 11.086 22.213 1.00 10.19 N ATOM 281 CA GLU A 35 12.121 10.536 23.155 1.00 12.08 C ATOM 282 C GLU A 35 10.665 10.694 22.723 1.00 12.56 C ATOM 283 O GLU A 35 9.873 9.766 22.882 1.00 12.91 O ATOM 284 CB GLU A 35 12.301 11.163 24.541 1.00 12.01 C ATOM 285 CG GLU A 35 13.443 10.658 25.408 1.00 13.15 C ATOM 286 CD GLU A 35 13.429 9.191 25.719 1.00 16.25 C ATOM 287 OE1 GLU A 35 12.490 8.461 25.452 1.00 15.48 O ATOM 288 OE2 GLU A 35 14.528 8.782 26.227 1.00 18.21 O ATOM 0 H GLU A 35 13.451 11.829 22.438 1.00 10.19 H new ATOM 0 HA GLU A 35 12.309 9.585 23.183 1.00 12.08 H new ATOM 0 HB2 GLU A 35 12.418 12.119 24.422 1.00 12.01 H new ATOM 0 HB3 GLU A 35 11.475 11.037 25.034 1.00 12.01 H new ATOM 0 HG2 GLU A 35 14.280 10.869 24.966 1.00 13.15 H new ATOM 0 HG3 GLU A 35 13.433 11.149 26.245 1.00 13.15 H new ATOM 289 N SER A 36 10.295 11.885 22.256 1.00 13.01 N ATOM 290 CA SER A 36 8.869 12.132 21.908 1.00 12.16 C ATOM 291 C SER A 36 8.638 12.804 20.587 1.00 12.49 C ATOM 292 O SER A 36 7.453 12.992 20.240 1.00 16.02 O ATOM 293 CB SER A 36 8.317 13.058 23.009 1.00 11.43 C ATOM 294 OG SER A 36 9.002 14.330 23.057 1.00 10.89 O ATOM 0 H SER A 36 10.824 12.551 22.132 1.00 13.01 H new ATOM 0 HA SER A 36 8.433 11.268 21.842 1.00 12.16 H new ATOM 0 HB2 SER A 36 7.371 13.209 22.856 1.00 11.43 H new ATOM 0 HB3 SER A 36 8.399 12.617 23.869 1.00 11.43 H new ATOM 0 HG SER A 36 9.538 14.336 23.704 1.00 10.89 H new ATOM 295 N GLY A 37 9.645 13.255 19.897 1.00 12.06 N ATOM 296 CA GLY A 37 9.516 14.003 18.656 1.00 11.67 C ATOM 297 C GLY A 37 8.990 15.399 19.030 1.00 11.63 C ATOM 298 O GLY A 37 8.195 15.953 18.242 1.00 12.00 O ATOM 0 H GLY A 37 10.462 13.136 20.137 1.00 12.06 H new ATOM 0 HA2 GLY A 37 10.371 14.068 18.203 1.00 11.67 H new ATOM 0 HA3 GLY A 37 8.906 13.557 18.048 1.00 11.67 H new ATOM 299 N TYR A 38 9.403 15.939 20.137 1.00 10.45 N ATOM 300 CA TYR A 38 8.992 17.267 20.634 1.00 10.71 C ATOM 301 C TYR A 38 7.500 17.349 20.957 1.00 11.38 C ATOM 302 O TYR A 38 6.908 18.437 20.832 1.00 12.77 O ATOM 303 CB TYR A 38 9.374 18.365 19.640 1.00 9.23 C ATOM 304 CG TYR A 38 10.786 18.399 19.102 1.00 8.97 C ATOM 305 CD1 TYR A 38 11.899 18.141 19.888 1.00 9.53 C ATOM 306 CD2 TYR A 38 10.991 18.646 17.739 1.00 10.07 C ATOM 307 CE1 TYR A 38 13.176 18.181 19.348 1.00 11.11 C ATOM 308 CE2 TYR A 38 12.282 18.695 17.154 1.00 10.44 C ATOM 309 CZ TYR A 38 13.343 18.464 18.005 1.00 11.84 C ATOM 310 OH TYR A 38 14.638 18.452 17.539 1.00 14.69 O ATOM 0 H TYR A 38 9.957 15.543 20.662 1.00 10.45 H new ATOM 0 HA TYR A 38 9.472 17.404 21.465 1.00 10.71 H new ATOM 0 HB2 TYR A 38 8.772 18.298 18.882 1.00 9.23 H new ATOM 0 HB3 TYR A 38 9.201 19.220 20.065 1.00 9.23 H new ATOM 0 HD1 TYR A 38 11.788 17.939 20.789 1.00 9.53 H new ATOM 0 HD2 TYR A 38 10.250 18.784 17.195 1.00 10.07 H new ATOM 0 HE1 TYR A 38 13.916 18.018 19.887 1.00 11.11 H new ATOM 0 HE2 TYR A 38 12.406 18.872 16.250 1.00 10.44 H new ATOM 0 HH TYR A 38 15.170 18.472 18.189 1.00 14.69 H new ATOM 311 N ASN A 39 6.882 16.248 21.340 1.00 11.02 N ATOM 312 CA ASN A 39 5.444 16.141 21.641 1.00 10.99 C ATOM 313 C ASN A 39 5.178 16.081 23.147 1.00 10.99 C ATOM 314 O ASN A 39 5.563 15.102 23.801 1.00 11.99 O ATOM 315 CB ASN A 39 4.885 14.941 20.840 1.00 10.60 C ATOM 316 CG ASN A 39 3.355 14.823 20.981 1.00 11.95 C ATOM 317 OD1 ASN A 39 2.651 15.658 21.565 1.00 11.82 O ATOM 318 ND2 ASN A 39 2.767 13.745 20.468 1.00 12.62 N ATOM 0 H ASN A 39 7.298 15.502 21.440 1.00 11.02 H new ATOM 0 HA ASN A 39 4.970 16.939 21.359 1.00 10.99 H new ATOM 0 HB2 ASN A 39 5.117 15.041 19.903 1.00 10.60 H new ATOM 0 HB3 ASN A 39 5.303 14.122 21.150 1.00 10.60 H new ATOM 0 HD21 ASN A 39 1.917 13.641 20.546 1.00 12.62 H new ATOM 0 HD22 ASN A 39 3.237 13.153 20.058 1.00 12.62 H new ATOM 319 N THR A 40 4.507 17.082 23.716 1.00 9.86 N ATOM 320 CA THR A 40 4.230 17.097 25.153 1.00 11.06 C ATOM 321 C THR A 40 3.159 16.100 25.567 1.00 11.51 C ATOM 322 O THR A 40 3.059 15.806 26.787 1.00 12.46 O ATOM 323 CB THR A 40 3.844 18.557 25.669 1.00 10.25 C ATOM 324 OG1 THR A 40 2.571 18.864 25.012 1.00 11.66 O ATOM 325 CG2 THR A 40 4.902 19.611 25.320 1.00 9.32 C ATOM 0 H THR A 40 4.203 17.763 23.287 1.00 9.86 H new ATOM 0 HA THR A 40 5.059 16.824 25.576 1.00 11.06 H new ATOM 0 HB THR A 40 3.783 18.574 26.637 1.00 10.25 H new ATOM 0 HG1 THR A 40 1.950 18.837 25.577 1.00 11.66 H new ATOM 0 HG21 THR A 40 4.620 20.476 25.655 1.00 9.32 H new ATOM 0 HG22 THR A 40 5.748 19.368 25.727 1.00 9.32 H new ATOM 0 HG23 THR A 40 5.008 19.656 24.357 1.00 9.32 H new ATOM 326 N ARG A 41 2.379 15.575 24.660 1.00 13.09 N ATOM 327 CA ARG A 41 1.327 14.631 25.115 1.00 16.45 C ATOM 328 C ARG A 41 1.732 13.177 24.957 1.00 16.17 C ATOM 329 O ARG A 41 0.918 12.289 25.289 1.00 16.78 O ATOM 330 CB ARG A 41 -0.016 14.960 24.453 1.00 21.92 C ATOM 331 CG ARG A 41 -0.070 14.564 22.989 1.00 26.69 C ATOM 332 CD ARG A 41 -1.481 14.774 22.509 1.00 33.94 C ATOM 333 NE ARG A 41 -2.351 13.713 23.020 1.00 37.42 N ATOM 334 CZ ARG A 41 -3.679 13.780 22.882 1.00 40.14 C ATOM 335 NH1 ARG A 41 -4.288 14.830 22.316 1.00 41.26 N ATOM 336 NH2 ARG A 41 -4.397 12.729 23.272 1.00 40.92 N ATOM 0 H ARG A 41 2.416 15.725 23.814 1.00 13.09 H new ATOM 0 HA ARG A 41 1.214 14.753 26.071 1.00 16.45 H new ATOM 0 HB2 ARG A 41 -0.727 14.506 24.932 1.00 21.92 H new ATOM 0 HB3 ARG A 41 -0.185 15.912 24.532 1.00 21.92 H new ATOM 0 HG2 ARG A 41 0.550 15.099 22.469 1.00 26.69 H new ATOM 0 HG3 ARG A 41 0.193 13.637 22.877 1.00 26.69 H new ATOM 0 HD2 ARG A 41 -1.805 15.639 22.806 1.00 33.94 H new ATOM 0 HD3 ARG A 41 -1.502 14.780 21.539 1.00 33.94 H new ATOM 0 HE ARG A 41 -2.001 13.034 23.416 1.00 37.42 H new ATOM 0 HH11 ARG A 41 -3.822 15.492 22.026 1.00 41.26 H new ATOM 0 HH12 ARG A 41 -5.145 14.842 22.242 1.00 41.26 H new ATOM 0 HH21 ARG A 41 -4.004 12.038 23.600 1.00 40.92 H new ATOM 0 HH22 ARG A 41 -5.254 12.741 23.196 1.00 40.92 H new ATOM 337 N ALA A 42 2.956 12.920 24.505 1.00 15.56 N ATOM 338 CA ALA A 42 3.460 11.548 24.328 1.00 16.68 C ATOM 339 C ALA A 42 3.420 10.756 25.628 1.00 16.67 C ATOM 340 O ALA A 42 3.815 11.201 26.706 1.00 15.29 O ATOM 341 CB ALA A 42 4.873 11.579 23.756 1.00 16.65 C ATOM 0 H ALA A 42 3.522 13.531 24.291 1.00 15.56 H new ATOM 0 HA ALA A 42 2.875 11.095 23.701 1.00 16.68 H new ATOM 0 HB1 ALA A 42 5.197 10.672 23.643 1.00 16.65 H new ATOM 0 HB2 ALA A 42 4.865 12.028 22.896 1.00 16.65 H new ATOM 0 HB3 ALA A 42 5.458 12.057 24.364 1.00 16.65 H new ATOM 342 N THR A 43 2.928 9.517 25.500 1.00 17.85 N ATOM 343 CA THR A 43 2.884 8.588 26.643 1.00 18.26 C ATOM 344 C THR A 43 3.232 7.223 26.026 1.00 19.20 C ATOM 345 O THR A 43 2.851 6.910 24.888 1.00 19.22 O ATOM 346 CB THR A 43 1.579 8.476 27.486 1.00 20.55 C ATOM 347 OG1 THR A 43 0.597 7.953 26.517 1.00 23.10 O ATOM 348 CG2 THR A 43 1.013 9.749 28.112 1.00 21.05 C ATOM 0 H THR A 43 2.616 9.195 24.766 1.00 17.85 H new ATOM 0 HA THR A 43 3.496 8.934 27.312 1.00 18.26 H new ATOM 0 HB THR A 43 1.775 7.932 28.265 1.00 20.55 H new ATOM 0 HG1 THR A 43 -0.147 7.859 26.895 1.00 23.10 H new ATOM 0 HG21 THR A 43 0.205 9.536 28.605 1.00 21.05 H new ATOM 0 HG22 THR A 43 1.669 10.132 28.716 1.00 21.05 H new ATOM 0 HG23 THR A 43 0.805 10.389 27.413 1.00 21.05 H new ATOM 349 N ASN A 44 3.990 6.453 26.773 1.00 19.68 N ATOM 350 CA ASN A 44 4.443 5.116 26.370 1.00 19.72 C ATOM 351 C ASN A 44 4.344 4.206 27.625 1.00 18.69 C ATOM 352 O ASN A 44 5.035 4.456 28.596 1.00 17.52 O ATOM 353 CB ASN A 44 5.860 5.121 25.806 1.00 21.26 C ATOM 354 CG ASN A 44 6.417 3.701 25.641 1.00 26.20 C ATOM 355 OD1 ASN A 44 7.185 3.155 26.595 1.00 27.38 O flip ATOM 356 ND2 ASN A 44 6.151 3.053 24.613 1.00 27.64 N flip ATOM 0 H ASN A 44 4.270 6.688 27.552 1.00 19.68 H new ATOM 0 HA ASN A 44 3.882 4.785 25.651 1.00 19.72 H new ATOM 0 HB2 ASN A 44 5.864 5.571 24.947 1.00 21.26 H new ATOM 0 HB3 ASN A 44 6.440 5.629 26.395 1.00 21.26 H new ATOM 0 HD21 ASN A 44 5.659 3.402 24.000 1.00 27.64 H new ATOM 0 HD22 ASN A 44 6.460 2.256 24.515 1.00 27.64 H new ATOM 357 N TYR A 45 3.496 3.191 27.479 1.00 18.58 N ATOM 358 CA TYR A 45 3.275 2.168 28.491 1.00 17.44 C ATOM 359 C TYR A 45 4.351 1.077 28.318 1.00 16.52 C ATOM 360 O TYR A 45 4.639 0.616 27.208 1.00 17.02 O ATOM 361 CB TYR A 45 1.854 1.574 28.374 1.00 17.62 C ATOM 362 CG TYR A 45 1.567 0.538 29.437 1.00 17.82 C ATOM 363 CD1 TYR A 45 1.692 0.897 30.772 1.00 16.33 C ATOM 364 CD2 TYR A 45 1.276 -0.790 29.117 1.00 18.47 C ATOM 365 CE1 TYR A 45 1.503 -0.026 31.781 1.00 19.01 C ATOM 366 CE2 TYR A 45 1.059 -1.764 30.121 1.00 18.23 C ATOM 367 CZ TYR A 45 1.172 -1.353 31.437 1.00 19.04 C ATOM 368 OH TYR A 45 0.974 -2.163 32.510 1.00 21.70 O ATOM 0 H TYR A 45 3.023 3.077 26.770 1.00 18.58 H new ATOM 0 HA TYR A 45 3.346 2.558 29.376 1.00 17.44 H new ATOM 0 HB2 TYR A 45 1.202 2.289 28.440 1.00 17.62 H new ATOM 0 HB3 TYR A 45 1.746 1.172 27.498 1.00 17.62 H new ATOM 0 HD1 TYR A 45 1.907 1.775 30.991 1.00 16.33 H new ATOM 0 HD2 TYR A 45 1.224 -1.040 28.223 1.00 18.47 H new ATOM 0 HE1 TYR A 45 1.592 0.223 32.673 1.00 19.01 H new ATOM 0 HE2 TYR A 45 0.849 -2.644 29.905 1.00 18.23 H new ATOM 0 HH TYR A 45 0.682 -1.709 33.154 1.00 21.70 H new ATOM 369 N ASN A 46 5.007 0.707 29.383 1.00 15.91 N ATOM 370 CA ASN A 46 6.060 -0.327 29.452 1.00 16.49 C ATOM 371 C ASN A 46 5.385 -1.573 30.076 1.00 16.37 C ATOM 372 O ASN A 46 5.334 -1.685 31.316 1.00 15.39 O ATOM 373 CB ASN A 46 7.240 0.168 30.259 1.00 16.72 C ATOM 374 CG ASN A 46 7.773 1.492 29.687 1.00 19.79 C ATOM 375 OD1 ASN A 46 8.099 1.560 28.482 1.00 21.62 O ATOM 376 ND2 ASN A 46 7.814 2.492 30.550 1.00 19.39 N ATOM 0 H ASN A 46 4.855 1.065 30.150 1.00 15.91 H new ATOM 0 HA ASN A 46 6.422 -0.545 28.579 1.00 16.49 H new ATOM 0 HB2 ASN A 46 6.976 0.293 31.184 1.00 16.72 H new ATOM 0 HB3 ASN A 46 7.944 -0.499 30.253 1.00 16.72 H new ATOM 0 HD21 ASN A 46 8.082 3.269 30.296 1.00 19.39 H new ATOM 0 HD22 ASN A 46 7.572 2.366 31.366 1.00 19.39 H new ATOM 377 N ALA A 47 4.840 -2.392 29.208 1.00 16.58 N ATOM 378 CA ALA A 47 4.128 -3.613 29.672 1.00 17.93 C ATOM 379 C ALA A 47 4.985 -4.461 30.613 1.00 17.41 C ATOM 380 O ALA A 47 4.494 -5.100 31.544 1.00 17.94 O ATOM 381 CB ALA A 47 3.655 -4.458 28.492 1.00 18.53 C ATOM 0 H ALA A 47 4.857 -2.283 28.355 1.00 16.58 H new ATOM 0 HA ALA A 47 3.354 -3.308 30.171 1.00 17.93 H new ATOM 0 HB1 ALA A 47 3.195 -5.246 28.822 1.00 18.53 H new ATOM 0 HB2 ALA A 47 3.049 -3.937 27.943 1.00 18.53 H new ATOM 0 HB3 ALA A 47 4.420 -4.729 27.961 1.00 18.53 H new ATOM 382 N GLY A 48 6.278 -4.467 30.341 1.00 17.89 N ATOM 383 CA GLY A 48 7.260 -5.208 31.094 1.00 17.90 C ATOM 384 C GLY A 48 7.300 -4.935 32.570 1.00 17.03 C ATOM 385 O GLY A 48 7.474 -5.907 33.336 1.00 18.05 O ATOM 0 H GLY A 48 6.617 -4.022 29.688 1.00 17.89 H new ATOM 0 HA2 GLY A 48 7.096 -6.155 30.962 1.00 17.90 H new ATOM 0 HA3 GLY A 48 8.136 -5.018 30.724 1.00 17.90 H new ATOM 386 N ASP A 49 7.223 -3.680 33.005 1.00 16.90 N ATOM 387 CA ASP A 49 7.292 -3.369 34.448 1.00 15.16 C ATOM 388 C ASP A 49 6.118 -2.540 34.928 1.00 15.00 C ATOM 389 O ASP A 49 6.179 -2.078 36.078 1.00 14.73 O ATOM 390 CB ASP A 49 8.638 -2.730 34.780 1.00 16.64 C ATOM 391 CG ASP A 49 8.711 -1.257 34.409 1.00 18.80 C ATOM 392 OD1 ASP A 49 7.959 -0.762 33.585 1.00 18.89 O ATOM 393 OD2 ASP A 49 9.554 -0.522 34.976 1.00 21.89 O ATOM 0 H ASP A 49 7.132 -2.995 32.493 1.00 16.90 H new ATOM 0 HA ASP A 49 7.225 -4.204 34.937 1.00 15.16 H new ATOM 0 HB2 ASP A 49 8.810 -2.827 35.730 1.00 16.64 H new ATOM 0 HB3 ASP A 49 9.341 -3.210 34.314 1.00 16.64 H new ATOM 394 N ARG A 50 5.093 -2.356 34.123 1.00 14.95 N ATOM 395 CA ARG A 50 3.888 -1.611 34.471 1.00 16.01 C ATOM 396 C ARG A 50 4.095 -0.122 34.786 1.00 15.75 C ATOM 397 O ARG A 50 3.268 0.540 35.462 1.00 15.89 O ATOM 398 CB ARG A 50 3.169 -2.328 35.619 1.00 17.59 C ATOM 399 CG ARG A 50 2.721 -3.757 35.145 1.00 21.24 C ATOM 400 CD ARG A 50 2.185 -4.412 36.373 1.00 23.42 C ATOM 401 NE ARG A 50 1.552 -5.668 36.165 1.00 27.61 N ATOM 402 CZ ARG A 50 0.561 -6.067 35.372 1.00 29.00 C ATOM 403 NH1 ARG A 50 -0.078 -5.280 34.521 1.00 28.81 N ATOM 404 NH2 ARG A 50 0.212 -7.371 35.472 1.00 28.99 N ATOM 0 H ARG A 50 5.073 -2.672 33.324 1.00 14.95 H new ATOM 0 HA ARG A 50 3.339 -1.601 33.672 1.00 16.01 H new ATOM 0 HB2 ARG A 50 3.757 -2.401 36.387 1.00 17.59 H new ATOM 0 HB3 ARG A 50 2.397 -1.813 35.901 1.00 17.59 H new ATOM 0 HG2 ARG A 50 2.045 -3.702 34.451 1.00 21.24 H new ATOM 0 HG3 ARG A 50 3.467 -4.256 34.776 1.00 21.24 H new ATOM 0 HD2 ARG A 50 2.914 -4.534 37.001 1.00 23.42 H new ATOM 0 HD3 ARG A 50 1.548 -3.811 36.791 1.00 23.42 H new ATOM 0 HE ARG A 50 1.876 -6.299 36.651 1.00 27.61 H new ATOM 0 HH11 ARG A 50 0.141 -4.451 34.455 1.00 28.81 H new ATOM 0 HH12 ARG A 50 -0.712 -5.598 34.034 1.00 28.81 H new ATOM 0 HH21 ARG A 50 0.625 -7.885 36.024 1.00 28.99 H new ATOM 0 HH22 ARG A 50 -0.422 -7.685 34.984 1.00 28.99 H new ATOM 405 N SER A 51 5.159 0.431 34.228 1.00 14.27 N ATOM 406 CA SER A 51 5.417 1.889 34.406 1.00 13.87 C ATOM 407 C SER A 51 5.021 2.583 33.098 1.00 12.63 C ATOM 408 O SER A 51 4.858 1.949 32.025 1.00 11.84 O ATOM 409 CB SER A 51 6.869 2.091 34.811 1.00 13.16 C ATOM 410 OG SER A 51 7.751 1.928 33.700 1.00 13.89 O ATOM 0 H SER A 51 5.740 0.011 33.753 1.00 14.27 H new ATOM 0 HA SER A 51 4.890 2.284 35.118 1.00 13.87 H new ATOM 0 HB2 SER A 51 6.981 2.978 35.186 1.00 13.16 H new ATOM 0 HB3 SER A 51 7.103 1.457 35.507 1.00 13.16 H new ATOM 0 HG SER A 51 7.879 1.109 33.561 1.00 13.89 H new ATOM 411 N THR A 52 4.944 3.931 33.155 1.00 11.93 N ATOM 412 CA THR A 52 4.620 4.704 31.946 1.00 10.65 C ATOM 413 C THR A 52 5.580 5.910 31.868 1.00 9.96 C ATOM 414 O THR A 52 5.910 6.501 32.898 1.00 8.48 O ATOM 415 CB THR A 52 3.133 5.251 31.996 1.00 12.88 C ATOM 416 OG1 THR A 52 2.239 4.112 32.078 1.00 13.96 O ATOM 417 CG2 THR A 52 2.756 6.123 30.781 1.00 10.07 C ATOM 0 H THR A 52 5.073 4.400 33.865 1.00 11.93 H new ATOM 0 HA THR A 52 4.712 4.125 31.173 1.00 10.65 H new ATOM 0 HB THR A 52 3.054 5.826 32.773 1.00 12.88 H new ATOM 0 HG1 THR A 52 2.132 3.897 32.883 1.00 13.96 H new ATOM 0 HG21 THR A 52 1.839 6.425 30.871 1.00 10.07 H new ATOM 0 HG22 THR A 52 3.346 6.892 30.738 1.00 10.07 H new ATOM 0 HG23 THR A 52 2.846 5.602 29.968 1.00 10.07 H new ATOM 418 N ASP A 53 5.968 6.233 30.656 1.00 10.21 N ATOM 419 CA ASP A 53 6.835 7.369 30.297 1.00 9.94 C ATOM 420 C ASP A 53 5.909 8.520 29.845 1.00 10.13 C ATOM 421 O ASP A 53 5.073 8.297 28.958 1.00 11.03 O ATOM 422 CB ASP A 53 7.851 7.045 29.229 1.00 11.94 C ATOM 423 CG ASP A 53 8.745 5.856 29.643 1.00 13.79 C ATOM 424 OD1 ASP A 53 9.166 5.807 30.793 1.00 12.38 O ATOM 425 OD2 ASP A 53 8.936 5.042 28.720 1.00 15.80 O ATOM 0 H ASP A 53 5.726 5.777 29.968 1.00 10.21 H new ATOM 0 HA ASP A 53 7.363 7.616 31.073 1.00 9.94 H new ATOM 0 HB2 ASP A 53 7.395 6.835 28.399 1.00 11.94 H new ATOM 0 HB3 ASP A 53 8.404 7.824 29.059 1.00 11.94 H new ATOM 426 N TYR A 54 6.114 9.681 30.456 1.00 9.74 N ATOM 427 CA TYR A 54 5.252 10.815 30.168 1.00 10.59 C ATOM 428 C TYR A 54 5.901 12.088 29.627 1.00 11.18 C ATOM 429 O TYR A 54 6.888 12.552 30.208 1.00 10.98 O ATOM 430 CB TYR A 54 4.581 11.265 31.503 1.00 9.93 C ATOM 431 CG TYR A 54 3.593 10.283 32.089 1.00 11.90 C ATOM 432 CD1 TYR A 54 3.988 9.284 32.986 1.00 12.48 C ATOM 433 CD2 TYR A 54 2.237 10.358 31.753 1.00 12.34 C ATOM 434 CE1 TYR A 54 3.055 8.403 33.544 1.00 12.69 C ATOM 435 CE2 TYR A 54 1.278 9.495 32.292 1.00 12.95 C ATOM 436 CZ TYR A 54 1.719 8.493 33.175 1.00 13.83 C ATOM 437 OH TYR A 54 0.831 7.589 33.740 1.00 13.82 O ATOM 0 H TYR A 54 6.736 9.830 31.031 1.00 9.74 H new ATOM 0 HA TYR A 54 4.667 10.476 29.472 1.00 10.59 H new ATOM 0 HB2 TYR A 54 5.277 11.432 32.158 1.00 9.93 H new ATOM 0 HB3 TYR A 54 4.126 12.108 31.352 1.00 9.93 H new ATOM 0 HD1 TYR A 54 4.886 9.204 33.215 1.00 12.48 H new ATOM 0 HD2 TYR A 54 1.963 11.008 31.147 1.00 12.34 H new ATOM 0 HE1 TYR A 54 3.328 7.761 34.159 1.00 12.69 H new ATOM 0 HE2 TYR A 54 0.378 9.581 32.074 1.00 12.95 H new ATOM 0 HH TYR A 54 1.232 7.122 34.311 1.00 13.82 H new ATOM 438 N GLY A 55 5.253 12.635 28.589 1.00 12.19 N ATOM 439 CA GLY A 55 5.692 13.961 28.105 1.00 11.44 C ATOM 440 C GLY A 55 6.803 14.082 27.123 1.00 11.81 C ATOM 441 O GLY A 55 7.284 13.092 26.511 1.00 12.18 O ATOM 0 H GLY A 55 4.592 12.281 28.168 1.00 12.19 H new ATOM 0 HA2 GLY A 55 4.917 14.393 27.713 1.00 11.44 H new ATOM 0 HA3 GLY A 55 5.942 14.481 28.885 1.00 11.44 H new ATOM 442 N ILE A 56 7.242 15.341 27.007 1.00 9.40 N ATOM 443 CA ILE A 56 8.321 15.611 26.029 1.00 10.58 C ATOM 444 C ILE A 56 9.654 14.901 26.292 1.00 9.69 C ATOM 445 O ILE A 56 10.349 14.630 25.289 1.00 10.26 O ATOM 446 CB ILE A 56 8.459 17.179 25.868 1.00 9.59 C ATOM 447 CG1 ILE A 56 9.201 17.467 24.539 1.00 10.56 C ATOM 448 CG2 ILE A 56 9.038 17.862 27.125 1.00 9.73 C ATOM 449 CD1 ILE A 56 9.053 19.009 24.212 1.00 12.14 C ATOM 0 H ILE A 56 6.954 16.018 27.452 1.00 9.40 H new ATOM 0 HA ILE A 56 8.057 15.212 25.185 1.00 10.58 H new ATOM 0 HB ILE A 56 7.584 17.593 25.801 1.00 9.59 H new ATOM 0 HG12 ILE A 56 10.137 17.226 24.616 1.00 10.56 H new ATOM 0 HG13 ILE A 56 8.828 16.932 23.821 1.00 10.56 H new ATOM 0 HG21 ILE A 56 9.101 18.818 26.974 1.00 9.73 H new ATOM 0 HG22 ILE A 56 8.456 17.693 27.882 1.00 9.73 H new ATOM 0 HG23 ILE A 56 9.921 17.505 27.310 1.00 9.73 H new ATOM 0 HD11 ILE A 56 9.512 19.209 23.381 1.00 12.14 H new ATOM 0 HD12 ILE A 56 8.113 19.232 24.124 1.00 12.14 H new ATOM 0 HD13 ILE A 56 9.443 19.531 24.931 1.00 12.14 H new ATOM 450 N PHE A 57 9.975 14.688 27.542 1.00 9.27 N ATOM 451 CA PHE A 57 11.252 14.029 27.896 1.00 10.98 C ATOM 452 C PHE A 57 11.028 12.561 28.287 1.00 11.75 C ATOM 453 O PHE A 57 11.990 11.935 28.779 1.00 11.65 O ATOM 454 CB PHE A 57 11.941 14.759 29.048 1.00 11.95 C ATOM 455 CG PHE A 57 12.413 16.158 28.693 1.00 14.02 C ATOM 456 CD1 PHE A 57 13.371 16.356 27.708 1.00 12.68 C ATOM 457 CD2 PHE A 57 11.885 17.244 29.419 1.00 14.07 C ATOM 458 CE1 PHE A 57 13.791 17.666 27.433 1.00 14.80 C ATOM 459 CE2 PHE A 57 12.285 18.552 29.136 1.00 15.34 C ATOM 460 CZ PHE A 57 13.241 18.752 28.131 1.00 14.62 C ATOM 0 H PHE A 57 9.485 14.908 28.213 1.00 9.27 H new ATOM 0 HA PHE A 57 11.821 14.063 27.111 1.00 10.98 H new ATOM 0 HB2 PHE A 57 11.328 14.814 29.797 1.00 11.95 H new ATOM 0 HB3 PHE A 57 12.702 14.235 29.342 1.00 11.95 H new ATOM 0 HD1 PHE A 57 13.727 15.635 27.240 1.00 12.68 H new ATOM 0 HD2 PHE A 57 11.264 17.088 30.093 1.00 14.07 H new ATOM 0 HE1 PHE A 57 14.439 17.816 26.783 1.00 14.80 H new ATOM 0 HE2 PHE A 57 11.926 19.272 29.603 1.00 15.34 H new ATOM 0 HZ PHE A 57 13.515 19.616 27.924 1.00 14.62 H new ATOM 461 N GLN A 58 9.804 12.072 28.142 1.00 11.13 N ATOM 462 CA GLN A 58 9.452 10.672 28.514 1.00 11.71 C ATOM 463 C GLN A 58 9.938 10.290 29.912 1.00 11.73 C ATOM 464 O GLN A 58 10.735 9.342 30.114 1.00 13.22 O ATOM 465 CB GLN A 58 9.881 9.677 27.461 1.00 9.65 C ATOM 466 CG GLN A 58 9.140 9.832 26.131 1.00 10.18 C ATOM 467 CD GLN A 58 7.711 9.335 26.212 1.00 13.17 C ATOM 468 OE1 GLN A 58 7.466 8.133 25.958 1.00 14.32 O ATOM 469 NE2 GLN A 58 6.750 10.204 26.564 1.00 11.60 N ATOM 0 H GLN A 58 9.145 12.527 27.828 1.00 11.13 H new ATOM 0 HA GLN A 58 8.483 10.637 28.551 1.00 11.71 H new ATOM 0 HB2 GLN A 58 10.833 9.774 27.305 1.00 9.65 H new ATOM 0 HB3 GLN A 58 9.739 8.779 27.799 1.00 9.65 H new ATOM 0 HG2 GLN A 58 9.142 10.766 25.868 1.00 10.18 H new ATOM 0 HG3 GLN A 58 9.613 9.342 25.440 1.00 10.18 H new ATOM 0 HE21 GLN A 58 6.951 11.023 26.732 1.00 11.60 H new ATOM 0 HE22 GLN A 58 5.933 9.942 26.622 1.00 11.60 H new ATOM 470 N ILE A 59 9.493 11.012 30.896 1.00 11.01 N ATOM 471 CA ILE A 59 9.859 10.789 32.301 1.00 12.44 C ATOM 472 C ILE A 59 9.072 9.610 32.861 1.00 12.64 C ATOM 473 O ILE A 59 7.853 9.605 32.684 1.00 11.26 O ATOM 474 CB ILE A 59 9.630 12.152 33.067 1.00 12.88 C ATOM 475 CG1 ILE A 59 10.777 13.023 32.436 1.00 14.78 C ATOM 476 CG2 ILE A 59 9.759 11.998 34.594 1.00 13.53 C ATOM 477 CD1 ILE A 59 10.940 14.441 32.962 1.00 16.42 C ATOM 0 H ILE A 59 8.952 11.671 30.784 1.00 11.01 H new ATOM 0 HA ILE A 59 10.791 10.542 32.408 1.00 12.44 H new ATOM 0 HB ILE A 59 8.742 12.531 32.969 1.00 12.88 H new ATOM 0 HG12 ILE A 59 11.617 12.555 32.567 1.00 14.78 H new ATOM 0 HG13 ILE A 59 10.626 13.072 31.479 1.00 14.78 H new ATOM 0 HG21 ILE A 59 9.611 12.857 35.020 1.00 13.53 H new ATOM 0 HG22 ILE A 59 9.099 11.362 34.912 1.00 13.53 H new ATOM 0 HG23 ILE A 59 10.648 11.678 34.813 1.00 13.53 H new ATOM 0 HD11 ILE A 59 11.674 14.875 32.500 1.00 16.42 H new ATOM 0 HD12 ILE A 59 10.122 14.939 32.809 1.00 16.42 H new ATOM 0 HD13 ILE A 59 11.128 14.414 33.913 1.00 16.42 H new ATOM 478 N ASN A 60 9.762 8.702 33.515 1.00 12.39 N ATOM 479 CA ASN A 60 9.142 7.477 34.039 1.00 13.51 C ATOM 480 C ASN A 60 8.466 7.597 35.394 1.00 13.01 C ATOM 481 O ASN A 60 9.003 8.167 36.352 1.00 13.48 O ATOM 482 CB ASN A 60 10.187 6.353 33.978 1.00 13.79 C ATOM 483 CG ASN A 60 9.567 4.963 34.133 1.00 13.97 C ATOM 484 OD1 ASN A 60 9.582 4.493 35.274 1.00 15.69 O ATOM 485 ND2 ASN A 60 9.080 4.361 33.070 1.00 13.79 N ATOM 0 H ASN A 60 10.605 8.766 33.675 1.00 12.39 H new ATOM 0 HA ASN A 60 8.386 7.269 33.468 1.00 13.51 H new ATOM 0 HB2 ASN A 60 10.659 6.400 33.132 1.00 13.79 H new ATOM 0 HB3 ASN A 60 10.845 6.490 34.677 1.00 13.79 H new ATOM 0 HD21 ASN A 60 8.737 3.576 33.140 1.00 13.79 H new ATOM 0 HD22 ASN A 60 9.105 4.753 32.305 1.00 13.79 H new ATOM 486 N SER A 61 7.273 6.959 35.444 1.00 13.03 N ATOM 487 CA SER A 61 6.449 6.941 36.641 1.00 14.35 C ATOM 488 C SER A 61 6.963 6.029 37.745 1.00 15.47 C ATOM 489 O SER A 61 6.370 6.090 38.840 1.00 15.93 O ATOM 490 CB SER A 61 5.003 6.580 36.309 1.00 12.27 C ATOM 491 OG SER A 61 4.979 5.291 35.783 1.00 13.54 O ATOM 0 H SER A 61 6.935 6.531 34.779 1.00 13.03 H new ATOM 0 HA SER A 61 6.495 7.846 36.988 1.00 14.35 H new ATOM 0 HB2 SER A 61 4.452 6.629 37.106 1.00 12.27 H new ATOM 0 HB3 SER A 61 4.636 7.211 35.671 1.00 12.27 H new ATOM 0 HG SER A 61 4.460 4.812 36.238 1.00 13.54 H new ATOM 492 N ARG A 62 7.995 5.201 37.507 1.00 17.15 N ATOM 493 CA ARG A 62 8.451 4.395 38.670 1.00 18.92 C ATOM 494 C ARG A 62 9.250 5.281 39.626 1.00 19.76 C ATOM 495 O ARG A 62 9.217 5.093 40.876 1.00 20.99 O ATOM 496 CB ARG A 62 9.273 3.158 38.315 1.00 22.95 C ATOM 497 CG ARG A 62 9.678 2.422 39.605 1.00 24.82 C ATOM 498 CD ARG A 62 9.822 0.951 39.513 1.00 28.44 C ATOM 499 NE ARG A 62 8.538 0.223 39.679 1.00 27.24 N ATOM 500 CZ ARG A 62 8.025 -0.274 38.530 1.00 28.00 C ATOM 501 NH1 ARG A 62 8.709 -0.156 37.379 1.00 28.67 N ATOM 502 NH2 ARG A 62 6.835 -0.824 38.558 1.00 26.78 N ATOM 0 H ARG A 62 8.412 5.092 36.763 1.00 17.15 H new ATOM 0 HA ARG A 62 7.642 4.061 39.088 1.00 18.92 H new ATOM 0 HB2 ARG A 62 8.757 2.568 37.743 1.00 22.95 H new ATOM 0 HB3 ARG A 62 10.064 3.416 37.816 1.00 22.95 H new ATOM 0 HG2 ARG A 62 10.521 2.790 39.912 1.00 24.82 H new ATOM 0 HG3 ARG A 62 9.017 2.620 40.287 1.00 24.82 H new ATOM 0 HD2 ARG A 62 10.207 0.723 38.652 1.00 28.44 H new ATOM 0 HD3 ARG A 62 10.447 0.651 40.191 1.00 28.44 H new ATOM 0 HE ARG A 62 8.153 0.126 40.442 1.00 27.24 H new ATOM 0 HH11 ARG A 62 9.474 0.236 37.372 1.00 28.67 H new ATOM 0 HH12 ARG A 62 8.381 -0.473 36.650 1.00 28.67 H new ATOM 0 HH21 ARG A 62 6.397 -0.863 39.297 1.00 26.78 H new ATOM 0 HH22 ARG A 62 6.493 -1.145 37.837 1.00 26.78 H new ATOM 503 N TYR A 63 9.936 6.306 39.091 1.00 19.07 N ATOM 504 CA TYR A 63 10.722 7.150 39.979 1.00 18.98 C ATOM 505 C TYR A 63 10.446 8.626 40.111 1.00 17.90 C ATOM 506 O TYR A 63 10.721 9.184 41.177 1.00 18.18 O ATOM 507 CB TYR A 63 12.221 7.138 39.486 1.00 22.18 C ATOM 508 CG TYR A 63 12.679 5.743 39.159 1.00 24.60 C ATOM 509 CD1 TYR A 63 12.982 4.846 40.195 1.00 26.31 C ATOM 510 CD2 TYR A 63 12.739 5.333 37.839 1.00 25.52 C ATOM 511 CE1 TYR A 63 13.383 3.541 39.898 1.00 26.59 C ATOM 512 CE2 TYR A 63 13.128 4.032 37.540 1.00 27.54 C ATOM 513 CZ TYR A 63 13.452 3.164 38.575 1.00 27.73 C ATOM 514 OH TYR A 63 13.831 1.892 38.246 1.00 30.88 O ATOM 0 H TYR A 63 9.955 6.515 38.257 1.00 19.07 H new ATOM 0 HA TYR A 63 10.490 6.750 40.832 1.00 18.98 H new ATOM 0 HB2 TYR A 63 12.310 7.702 38.702 1.00 22.18 H new ATOM 0 HB3 TYR A 63 12.792 7.515 40.173 1.00 22.18 H new ATOM 0 HD1 TYR A 63 12.916 5.121 41.081 1.00 26.31 H new ATOM 0 HD2 TYR A 63 12.520 5.924 37.155 1.00 25.52 H new ATOM 0 HE1 TYR A 63 13.598 2.942 40.576 1.00 26.59 H new ATOM 0 HE2 TYR A 63 13.171 3.746 36.656 1.00 27.54 H new ATOM 0 HH TYR A 63 13.827 1.805 37.410 1.00 30.88 H new ATOM 515 N TRP A 64 9.987 9.209 39.016 1.00 15.88 N ATOM 516 CA TRP A 64 9.844 10.660 39.015 1.00 15.39 C ATOM 517 C TRP A 64 8.515 11.328 39.173 1.00 15.27 C ATOM 518 O TRP A 64 8.534 12.543 39.522 1.00 16.44 O ATOM 519 CB TRP A 64 10.576 11.144 37.723 1.00 14.72 C ATOM 520 CG TRP A 64 11.879 10.437 37.512 1.00 16.81 C ATOM 521 CD1 TRP A 64 12.152 9.457 36.603 1.00 17.01 C ATOM 522 CD2 TRP A 64 13.072 10.635 38.283 1.00 17.48 C ATOM 523 NE1 TRP A 64 13.453 9.032 36.753 1.00 19.77 N ATOM 524 CE2 TRP A 64 14.041 9.751 37.768 1.00 19.00 C ATOM 525 CE3 TRP A 64 13.394 11.461 39.354 1.00 17.72 C ATOM 526 CZ2 TRP A 64 15.341 9.667 38.288 1.00 19.34 C ATOM 527 CZ3 TRP A 64 14.692 11.384 39.857 1.00 19.53 C ATOM 528 CH2 TRP A 64 15.649 10.502 39.354 1.00 17.93 C ATOM 0 H TRP A 64 9.760 8.807 38.290 1.00 15.88 H new ATOM 0 HA TRP A 64 10.222 10.941 39.863 1.00 15.39 H new ATOM 0 HB2 TRP A 64 10.003 10.998 36.954 1.00 14.72 H new ATOM 0 HB3 TRP A 64 10.734 12.099 37.781 1.00 14.72 H new ATOM 0 HD1 TRP A 64 11.550 9.126 35.976 1.00 17.01 H new ATOM 0 HE1 TRP A 64 13.835 8.418 36.288 1.00 19.77 H new ATOM 0 HE3 TRP A 64 12.768 12.042 39.721 1.00 17.72 H new ATOM 0 HZ2 TRP A 64 15.969 9.079 37.935 1.00 19.34 H new ATOM 0 HZ3 TRP A 64 14.931 11.945 40.559 1.00 19.53 H new ATOM 0 HH2 TRP A 64 16.497 10.473 39.734 1.00 17.93 H new ATOM 529 N CYS A 65 7.421 10.686 38.845 1.00 13.90 N ATOM 530 CA CYS A 65 6.130 11.423 39.001 1.00 13.05 C ATOM 531 C CYS A 65 5.136 10.413 39.554 1.00 11.95 C ATOM 532 O CYS A 65 5.448 9.230 39.376 1.00 12.67 O ATOM 533 CB CYS A 65 5.749 12.005 37.628 1.00 10.49 C ATOM 534 SG CYS A 65 5.401 10.856 36.299 1.00 11.79 S ATOM 0 H CYS A 65 7.372 9.880 38.548 1.00 13.90 H new ATOM 0 HA CYS A 65 6.166 12.175 39.612 1.00 13.05 H new ATOM 0 HB2 CYS A 65 4.967 12.566 37.749 1.00 10.49 H new ATOM 0 HB3 CYS A 65 6.472 12.584 37.339 1.00 10.49 H new ATOM 535 N ASN A 66 4.025 10.845 40.100 1.00 11.41 N ATOM 536 CA ASN A 66 3.056 9.851 40.594 1.00 12.40 C ATOM 537 C ASN A 66 1.886 9.676 39.635 1.00 11.85 C ATOM 538 O ASN A 66 1.269 10.698 39.334 1.00 10.25 O ATOM 539 CB ASN A 66 2.602 10.212 42.030 1.00 14.35 C ATOM 540 CG ASN A 66 1.617 9.171 42.558 1.00 16.53 C ATOM 541 OD1 ASN A 66 1.838 7.949 42.466 1.00 16.29 O ATOM 542 ND2 ASN A 66 0.486 9.663 43.091 1.00 15.18 N ATOM 0 H ASN A 66 3.803 11.670 40.200 1.00 11.41 H new ATOM 0 HA ASN A 66 3.496 8.987 40.635 1.00 12.40 H new ATOM 0 HB2 ASN A 66 3.373 10.262 42.616 1.00 14.35 H new ATOM 0 HB3 ASN A 66 2.187 11.089 42.033 1.00 14.35 H new ATOM 0 HD21 ASN A 66 -0.119 9.127 43.385 1.00 15.18 H new ATOM 0 HD22 ASN A 66 0.367 10.513 43.138 1.00 15.18 H new ATOM 543 N ASP A 67 1.601 8.429 39.257 1.00 11.30 N ATOM 544 CA ASP A 67 0.396 8.156 38.420 1.00 12.18 C ATOM 545 C ASP A 67 -0.519 7.178 39.194 1.00 12.46 C ATOM 546 O ASP A 67 -1.545 6.693 38.680 1.00 12.43 O ATOM 547 CB ASP A 67 0.660 7.784 36.984 1.00 11.04 C ATOM 548 CG ASP A 67 1.322 6.413 36.806 1.00 11.45 C ATOM 549 OD1 ASP A 67 1.664 5.710 37.784 1.00 13.26 O ATOM 550 OD2 ASP A 67 1.492 6.064 35.637 1.00 13.45 O ATOM 0 H ASP A 67 2.069 7.737 39.460 1.00 11.30 H new ATOM 0 HA ASP A 67 -0.075 8.994 38.290 1.00 12.18 H new ATOM 0 HB2 ASP A 67 -0.179 7.793 36.498 1.00 11.04 H new ATOM 0 HB3 ASP A 67 1.227 8.461 36.583 1.00 11.04 H new ATOM 551 N GLY A 68 -0.186 6.840 40.425 1.00 12.66 N ATOM 552 CA GLY A 68 -0.959 5.953 41.254 1.00 14.58 C ATOM 553 C GLY A 68 -0.985 4.466 40.910 1.00 16.11 C ATOM 554 O GLY A 68 -0.992 3.644 41.848 1.00 17.48 O ATOM 0 H GLY A 68 0.524 7.134 40.812 1.00 12.66 H new ATOM 0 HA2 GLY A 68 -0.631 6.039 42.163 1.00 14.58 H new ATOM 0 HA3 GLY A 68 -1.875 6.272 41.252 1.00 14.58 H new ATOM 555 N LYS A 69 -0.959 4.090 39.663 1.00 15.59 N ATOM 556 CA LYS A 69 -1.039 2.741 39.153 1.00 15.68 C ATOM 557 C LYS A 69 0.294 2.047 38.951 1.00 15.93 C ATOM 558 O LYS A 69 0.307 0.850 38.564 1.00 17.34 O ATOM 559 CB LYS A 69 -1.860 2.709 37.870 1.00 14.34 C ATOM 560 CG LYS A 69 -1.255 3.418 36.687 1.00 15.16 C ATOM 561 CD LYS A 69 -2.066 3.237 35.414 1.00 16.55 C ATOM 562 CE LYS A 69 -1.364 3.922 34.266 1.00 19.74 C ATOM 563 NZ LYS A 69 -2.315 4.349 33.202 1.00 23.89 N ATOM 0 H LYS A 69 -0.888 4.666 39.028 1.00 15.59 H new ATOM 0 HA LYS A 69 -1.482 2.231 39.850 1.00 15.68 H new ATOM 0 HB2 LYS A 69 -2.013 1.782 37.627 1.00 14.34 H new ATOM 0 HB3 LYS A 69 -2.728 3.102 38.052 1.00 14.34 H new ATOM 0 HG2 LYS A 69 -1.180 4.364 36.886 1.00 15.16 H new ATOM 0 HG3 LYS A 69 -0.355 3.087 36.542 1.00 15.16 H new ATOM 0 HD2 LYS A 69 -2.176 2.293 35.221 1.00 16.55 H new ATOM 0 HD3 LYS A 69 -2.955 3.608 35.530 1.00 16.55 H new ATOM 0 HE2 LYS A 69 -0.883 4.696 34.598 1.00 19.74 H new ATOM 0 HE3 LYS A 69 -0.705 3.320 33.886 1.00 19.74 H new ATOM 0 HZ1 LYS A 69 -1.979 5.049 32.767 1.00 23.89 H new ATOM 0 HZ2 LYS A 69 -2.442 3.679 32.631 1.00 23.89 H new ATOM 0 HZ3 LYS A 69 -3.093 4.575 33.572 1.00 23.89 H new ATOM 564 N THR A 70 1.398 2.704 39.218 1.00 15.50 N ATOM 565 CA THR A 70 2.685 2.007 39.004 1.00 16.12 C ATOM 566 C THR A 70 3.095 1.329 40.297 1.00 17.13 C ATOM 567 O THR A 70 3.163 1.993 41.341 1.00 17.10 O ATOM 568 CB THR A 70 3.776 3.033 38.487 1.00 15.81 C ATOM 569 OG1 THR A 70 3.243 3.715 37.306 1.00 15.08 O ATOM 570 CG2 THR A 70 5.128 2.352 38.189 1.00 14.39 C ATOM 0 H THR A 70 1.447 3.512 39.509 1.00 15.50 H new ATOM 0 HA THR A 70 2.595 1.324 38.321 1.00 16.12 H new ATOM 0 HB THR A 70 3.959 3.680 39.186 1.00 15.81 H new ATOM 0 HG1 THR A 70 2.892 4.443 37.537 1.00 15.08 H new ATOM 0 HG21 THR A 70 5.763 3.016 37.876 1.00 14.39 H new ATOM 0 HG22 THR A 70 5.467 1.937 38.998 1.00 14.39 H new ATOM 0 HG23 THR A 70 5.006 1.675 37.505 1.00 14.39 H new ATOM 571 N PRO A 71 3.399 0.035 40.231 1.00 18.58 N ATOM 572 CA PRO A 71 3.832 -0.675 41.438 1.00 19.70 C ATOM 573 C PRO A 71 5.244 -0.280 41.835 1.00 20.97 C ATOM 574 O PRO A 71 6.168 -0.063 41.019 1.00 22.68 O ATOM 575 CB PRO A 71 3.711 -2.146 41.075 1.00 19.25 C ATOM 576 CG PRO A 71 3.408 -2.267 39.611 1.00 19.59 C ATOM 577 CD PRO A 71 3.347 -0.832 39.051 1.00 19.07 C ATOM 0 HA PRO A 71 3.294 -0.458 42.215 1.00 19.70 H new ATOM 0 HB2 PRO A 71 4.536 -2.612 41.286 1.00 19.25 H new ATOM 0 HB3 PRO A 71 3.008 -2.563 41.598 1.00 19.25 H new ATOM 0 HG2 PRO A 71 4.093 -2.784 39.159 1.00 19.59 H new ATOM 0 HG3 PRO A 71 2.566 -2.728 39.471 1.00 19.59 H new ATOM 0 HD2 PRO A 71 4.090 -0.656 38.452 1.00 19.07 H new ATOM 0 HD3 PRO A 71 2.533 -0.687 38.543 1.00 19.07 H new ATOM 578 N GLY A 72 5.447 -0.208 43.131 1.00 22.33 N ATOM 579 CA GLY A 72 6.728 0.098 43.762 1.00 24.26 C ATOM 580 C GLY A 72 7.316 1.435 43.374 1.00 25.13 C ATOM 581 O GLY A 72 8.529 1.698 43.484 1.00 25.93 O ATOM 0 H GLY A 72 4.818 -0.341 43.702 1.00 22.33 H new ATOM 0 HA2 GLY A 72 6.615 0.075 44.725 1.00 24.26 H new ATOM 0 HA3 GLY A 72 7.362 -0.600 43.534 1.00 24.26 H new ATOM 582 N ALA A 73 6.472 2.369 42.971 1.00 25.06 N ATOM 583 CA ALA A 73 7.030 3.674 42.554 1.00 25.18 C ATOM 584 C ALA A 73 7.282 4.684 43.648 1.00 25.36 C ATOM 585 O ALA A 73 6.724 4.699 44.751 1.00 25.23 O ATOM 586 CB ALA A 73 6.042 4.269 41.532 1.00 25.14 C ATOM 0 H ALA A 73 5.617 2.290 42.927 1.00 25.06 H new ATOM 0 HA ALA A 73 7.914 3.495 42.198 1.00 25.18 H new ATOM 0 HB1 ALA A 73 6.369 5.130 41.229 1.00 25.14 H new ATOM 0 HB2 ALA A 73 5.961 3.670 40.774 1.00 25.14 H new ATOM 0 HB3 ALA A 73 5.174 4.382 41.949 1.00 25.14 H new ATOM 587 N VAL A 74 8.148 5.611 43.240 1.00 24.86 N ATOM 588 CA VAL A 74 8.447 6.807 44.071 1.00 24.30 C ATOM 589 C VAL A 74 8.099 7.974 43.126 1.00 23.06 C ATOM 590 O VAL A 74 7.810 7.773 41.936 1.00 22.05 O ATOM 591 CB VAL A 74 9.817 6.765 44.711 1.00 24.49 C ATOM 592 CG1 VAL A 74 9.838 5.613 45.748 1.00 25.53 C ATOM 593 CG2 VAL A 74 10.906 6.586 43.684 1.00 24.18 C ATOM 0 H VAL A 74 8.575 5.578 42.494 1.00 24.86 H new ATOM 0 HA VAL A 74 7.926 6.889 44.885 1.00 24.30 H new ATOM 0 HB VAL A 74 9.989 7.611 45.153 1.00 24.49 H new ATOM 0 HG11 VAL A 74 10.711 5.572 46.169 1.00 25.53 H new ATOM 0 HG12 VAL A 74 9.161 5.773 46.424 1.00 25.53 H new ATOM 0 HG13 VAL A 74 9.655 4.772 45.301 1.00 25.53 H new ATOM 0 HG21 VAL A 74 11.769 6.563 44.127 1.00 24.18 H new ATOM 0 HG22 VAL A 74 10.767 5.754 43.206 1.00 24.18 H new ATOM 0 HG23 VAL A 74 10.885 7.326 43.057 1.00 24.18 H new ATOM 594 N ASN A 75 8.081 9.140 43.679 1.00 23.10 N ATOM 595 CA ASN A 75 7.755 10.387 42.912 1.00 23.83 C ATOM 596 C ASN A 75 8.841 11.375 43.315 1.00 24.54 C ATOM 597 O ASN A 75 8.586 12.324 44.057 1.00 24.99 O ATOM 598 CB ASN A 75 6.318 10.741 43.267 1.00 23.32 C ATOM 599 CG ASN A 75 5.846 12.084 42.793 1.00 23.27 C ATOM 600 OD1 ASN A 75 6.452 12.643 41.862 1.00 24.20 O ATOM 601 ND2 ASN A 75 4.799 12.623 43.419 1.00 22.83 N ATOM 0 H ASN A 75 8.252 9.275 44.511 1.00 23.10 H new ATOM 0 HA ASN A 75 7.768 10.339 41.943 1.00 23.83 H new ATOM 0 HB2 ASN A 75 5.733 10.061 42.897 1.00 23.32 H new ATOM 0 HB3 ASN A 75 6.221 10.704 44.231 1.00 23.32 H new ATOM 0 HD21 ASN A 75 4.509 13.398 43.184 1.00 22.83 H new ATOM 0 HD22 ASN A 75 4.413 12.196 44.058 1.00 22.83 H new ATOM 602 N ALA A 76 10.064 11.087 42.884 1.00 25.63 N ATOM 603 CA ALA A 76 11.226 11.922 43.238 1.00 25.49 C ATOM 604 C ALA A 76 11.012 13.355 42.839 1.00 26.50 C ATOM 605 O ALA A 76 11.479 14.234 43.601 1.00 28.76 O ATOM 606 CB ALA A 76 12.518 11.325 42.689 1.00 24.33 C ATOM 0 H ALA A 76 10.250 10.413 42.384 1.00 25.63 H new ATOM 0 HA ALA A 76 11.319 11.927 44.203 1.00 25.49 H new ATOM 0 HB1 ALA A 76 13.266 11.891 42.935 1.00 24.33 H new ATOM 0 HB2 ALA A 76 12.648 10.438 43.060 1.00 24.33 H new ATOM 0 HB3 ALA A 76 12.462 11.265 41.722 1.00 24.33 H new ATOM 607 N ALA A 77 10.376 13.631 41.717 1.00 26.42 N ATOM 608 CA ALA A 77 10.156 15.041 41.301 1.00 26.45 C ATOM 609 C ALA A 77 8.989 15.642 42.067 1.00 26.76 C ATOM 610 O ALA A 77 8.741 16.864 42.003 1.00 27.64 O ATOM 611 CB ALA A 77 10.014 15.124 39.800 1.00 24.10 C ATOM 0 H ALA A 77 10.061 13.040 41.177 1.00 26.42 H new ATOM 0 HA ALA A 77 10.929 15.581 41.529 1.00 26.45 H new ATOM 0 HB1 ALA A 77 9.871 16.047 39.539 1.00 24.10 H new ATOM 0 HB2 ALA A 77 10.822 14.791 39.379 1.00 24.10 H new ATOM 0 HB3 ALA A 77 9.258 14.587 39.516 1.00 24.10 H new ATOM 612 N HIS A 78 8.244 14.818 42.767 1.00 26.84 N ATOM 613 CA HIS A 78 7.082 15.239 43.567 1.00 26.95 C ATOM 614 C HIS A 78 6.009 15.957 42.772 1.00 25.32 C ATOM 615 O HIS A 78 5.516 17.066 43.094 1.00 25.07 O ATOM 616 CB HIS A 78 7.579 16.047 44.809 1.00 32.44 C ATOM 617 CG HIS A 78 8.564 15.196 45.572 1.00 35.53 C ATOM 618 ND1 HIS A 78 8.351 14.023 46.221 1.00 37.93 N flip ATOM 619 CD2 HIS A 78 9.899 15.466 45.723 1.00 37.29 C flip ATOM 620 CE1 HIS A 78 9.553 13.593 46.732 1.00 38.21 C flip ATOM 621 NE2 HIS A 78 10.465 14.492 46.427 1.00 38.15 N flip ATOM 0 H HIS A 78 8.392 13.971 42.801 1.00 26.84 H new ATOM 0 HA HIS A 78 6.629 14.439 43.877 1.00 26.95 H new ATOM 0 HB2 HIS A 78 7.997 16.875 44.527 1.00 32.44 H new ATOM 0 HB3 HIS A 78 6.830 16.287 45.377 1.00 32.44 H new ATOM 0 HD2 HIS A 78 10.339 16.213 45.386 1.00 37.29 H new ATOM 0 HE1 HIS A 78 9.696 12.807 47.208 1.00 38.21 H new ATOM 0 HE2 HIS A 78 11.295 14.455 46.648 1.00 38.15 H new ATOM 622 N LEU A 79 5.600 15.352 41.666 1.00 22.19 N ATOM 623 CA LEU A 79 4.579 15.872 40.778 1.00 20.08 C ATOM 624 C LEU A 79 3.576 14.787 40.355 1.00 17.46 C ATOM 625 O LEU A 79 3.959 13.614 40.318 1.00 16.81 O ATOM 626 CB LEU A 79 5.267 16.253 39.446 1.00 21.84 C ATOM 627 CG LEU A 79 5.818 17.606 39.168 1.00 24.87 C ATOM 628 CD1 LEU A 79 6.549 17.576 37.804 1.00 25.09 C ATOM 629 CD2 LEU A 79 4.707 18.653 39.122 1.00 25.59 C ATOM 0 H LEU A 79 5.923 14.599 41.404 1.00 22.19 H new ATOM 0 HA LEU A 79 4.138 16.600 41.244 1.00 20.08 H new ATOM 0 HB2 LEU A 79 6.001 15.629 39.329 1.00 21.84 H new ATOM 0 HB3 LEU A 79 4.624 16.070 38.743 1.00 21.84 H new ATOM 0 HG LEU A 79 6.432 17.845 39.879 1.00 24.87 H new ATOM 0 HD11 LEU A 79 6.913 18.454 37.612 1.00 25.09 H new ATOM 0 HD12 LEU A 79 7.270 16.928 37.837 1.00 25.09 H new ATOM 0 HD13 LEU A 79 5.923 17.327 37.106 1.00 25.09 H new ATOM 0 HD21 LEU A 79 5.091 19.525 38.940 1.00 25.59 H new ATOM 0 HD22 LEU A 79 4.076 18.425 38.421 1.00 25.59 H new ATOM 0 HD23 LEU A 79 4.247 18.675 39.976 1.00 25.59 H new ATOM 630 N SER A 80 2.398 15.228 39.962 1.00 14.81 N ATOM 631 CA SER A 80 1.439 14.246 39.378 1.00 13.17 C ATOM 632 C SER A 80 1.999 14.067 37.955 1.00 13.26 C ATOM 633 O SER A 80 2.508 15.006 37.301 1.00 12.20 O ATOM 634 CB SER A 80 0.032 14.816 39.288 1.00 13.46 C ATOM 635 OG SER A 80 -0.767 14.078 38.379 1.00 15.05 O ATOM 0 H SER A 80 2.124 16.042 40.011 1.00 14.81 H new ATOM 0 HA SER A 80 1.367 13.433 39.903 1.00 13.17 H new ATOM 0 HB2 SER A 80 -0.380 14.805 40.166 1.00 13.46 H new ATOM 0 HB3 SER A 80 0.074 15.743 39.006 1.00 13.46 H new ATOM 0 HG SER A 80 -1.538 14.411 38.349 1.00 15.05 H new ATOM 636 N CYS A 81 1.989 12.874 37.389 1.00 12.14 N ATOM 637 CA CYS A 81 2.453 12.623 36.026 1.00 10.46 C ATOM 638 C CYS A 81 1.604 13.465 35.062 1.00 10.94 C ATOM 639 O CYS A 81 2.074 13.810 33.954 1.00 10.10 O ATOM 640 CB CYS A 81 2.369 11.119 35.706 1.00 11.65 C ATOM 641 SG CYS A 81 3.538 10.115 36.658 1.00 10.93 S ATOM 0 H CYS A 81 1.707 12.168 37.791 1.00 12.14 H new ATOM 0 HA CYS A 81 3.383 12.881 35.928 1.00 10.46 H new ATOM 0 HB2 CYS A 81 1.467 10.808 35.882 1.00 11.65 H new ATOM 0 HB3 CYS A 81 2.535 10.987 34.760 1.00 11.65 H new ATOM 642 N SER A 82 0.386 13.817 35.447 1.00 10.46 N ATOM 643 CA SER A 82 -0.527 14.643 34.660 1.00 10.66 C ATOM 644 C SER A 82 0.183 15.965 34.318 1.00 10.90 C ATOM 645 O SER A 82 -0.002 16.479 33.211 1.00 11.33 O ATOM 646 CB SER A 82 -1.818 14.976 35.437 1.00 11.21 C ATOM 647 OG SER A 82 -2.644 15.825 34.590 1.00 14.34 O ATOM 0 H SER A 82 0.053 13.574 36.202 1.00 10.46 H new ATOM 0 HA SER A 82 -0.770 14.147 33.862 1.00 10.66 H new ATOM 0 HB2 SER A 82 -2.293 14.163 35.670 1.00 11.21 H new ATOM 0 HB3 SER A 82 -1.607 15.429 36.268 1.00 11.21 H new ATOM 0 HG SER A 82 -2.510 16.631 34.785 1.00 14.34 H new ATOM 648 N ALA A 83 0.989 16.463 35.233 1.00 11.43 N ATOM 649 CA ALA A 83 1.747 17.716 35.016 1.00 11.50 C ATOM 650 C ALA A 83 2.692 17.678 33.828 1.00 11.78 C ATOM 651 O ALA A 83 2.991 18.765 33.239 1.00 12.83 O ATOM 652 CB ALA A 83 2.532 18.137 36.265 1.00 10.30 C ATOM 0 H ALA A 83 1.123 16.098 36.000 1.00 11.43 H new ATOM 0 HA ALA A 83 1.062 18.374 34.819 1.00 11.50 H new ATOM 0 HB1 ALA A 83 3.013 18.959 36.083 1.00 10.30 H new ATOM 0 HB2 ALA A 83 1.917 18.279 37.001 1.00 10.30 H new ATOM 0 HB3 ALA A 83 3.163 17.439 36.502 1.00 10.30 H new ATOM 653 N LEU A 84 3.110 16.512 33.422 1.00 11.76 N ATOM 654 CA LEU A 84 4.026 16.279 32.325 1.00 12.27 C ATOM 655 C LEU A 84 3.334 16.130 30.988 1.00 13.07 C ATOM 656 O LEU A 84 4.007 15.779 29.976 1.00 13.40 O ATOM 657 CB LEU A 84 4.928 15.078 32.722 1.00 13.10 C ATOM 658 CG LEU A 84 5.552 15.096 34.105 1.00 14.81 C ATOM 659 CD1 LEU A 84 6.375 13.826 34.370 1.00 15.89 C ATOM 660 CD2 LEU A 84 6.447 16.315 34.295 1.00 16.23 C ATOM 0 H LEU A 84 2.855 15.782 33.798 1.00 11.76 H new ATOM 0 HA LEU A 84 4.585 17.059 32.183 1.00 12.27 H new ATOM 0 HB2 LEU A 84 4.400 14.268 32.643 1.00 13.10 H new ATOM 0 HB3 LEU A 84 5.645 15.014 32.071 1.00 13.10 H new ATOM 0 HG LEU A 84 4.818 15.136 34.738 1.00 14.81 H new ATOM 0 HD11 LEU A 84 6.759 13.869 35.260 1.00 15.89 H new ATOM 0 HD12 LEU A 84 5.800 13.048 34.304 1.00 15.89 H new ATOM 0 HD13 LEU A 84 7.086 13.758 33.714 1.00 15.89 H new ATOM 0 HD21 LEU A 84 6.831 16.299 35.186 1.00 16.23 H new ATOM 0 HD22 LEU A 84 7.159 16.300 33.636 1.00 16.23 H new ATOM 0 HD23 LEU A 84 5.922 17.123 34.184 1.00 16.23 H new ATOM 661 N LEU A 85 2.039 16.387 30.960 1.00 11.81 N ATOM 662 CA LEU A 85 1.295 16.273 29.698 1.00 11.98 C ATOM 663 C LEU A 85 0.725 17.651 29.314 1.00 11.26 C ATOM 664 O LEU A 85 -0.085 17.743 28.394 1.00 12.12 O ATOM 665 CB LEU A 85 0.223 15.193 29.775 1.00 12.83 C ATOM 666 CG LEU A 85 0.627 13.773 30.111 1.00 12.33 C ATOM 667 CD1 LEU A 85 -0.592 12.897 30.388 1.00 13.31 C ATOM 668 CD2 LEU A 85 1.399 13.252 28.906 1.00 12.79 C ATOM 0 H LEU A 85 1.571 16.625 31.641 1.00 11.81 H new ATOM 0 HA LEU A 85 1.900 15.992 28.994 1.00 11.98 H new ATOM 0 HB2 LEU A 85 -0.429 15.475 30.436 1.00 12.83 H new ATOM 0 HB3 LEU A 85 -0.232 15.172 28.919 1.00 12.83 H new ATOM 0 HG LEU A 85 1.168 13.752 30.916 1.00 12.33 H new ATOM 0 HD11 LEU A 85 -0.302 11.996 30.600 1.00 13.31 H new ATOM 0 HD12 LEU A 85 -1.089 13.261 31.138 1.00 13.31 H new ATOM 0 HD13 LEU A 85 -1.161 12.877 29.603 1.00 13.31 H new ATOM 0 HD21 LEU A 85 1.682 12.339 29.073 1.00 12.79 H new ATOM 0 HD22 LEU A 85 0.829 13.275 28.122 1.00 12.79 H new ATOM 0 HD23 LEU A 85 2.179 13.809 28.755 1.00 12.79 H new ATOM 669 N GLN A 86 1.127 18.664 29.997 1.00 11.70 N ATOM 670 CA GLN A 86 0.638 20.055 29.677 1.00 11.60 C ATOM 671 C GLN A 86 1.368 20.618 28.464 1.00 12.70 C ATOM 672 O GLN A 86 2.472 20.139 28.093 1.00 13.17 O ATOM 673 CB GLN A 86 0.871 20.980 30.859 1.00 11.28 C ATOM 674 CG GLN A 86 0.178 20.601 32.148 1.00 13.90 C ATOM 675 CD GLN A 86 0.544 21.498 33.297 1.00 17.16 C ATOM 676 OE1 GLN A 86 0.052 22.627 33.445 1.00 18.56 O ATOM 677 NE2 GLN A 86 1.445 21.102 34.191 1.00 17.83 N ATOM 0 H GLN A 86 1.679 18.618 30.655 1.00 11.70 H new ATOM 0 HA GLN A 86 -0.311 19.999 29.484 1.00 11.60 H new ATOM 0 HB2 GLN A 86 1.825 21.025 31.027 1.00 11.28 H new ATOM 0 HB3 GLN A 86 0.584 21.872 30.609 1.00 11.28 H new ATOM 0 HG2 GLN A 86 -0.782 20.631 32.014 1.00 13.90 H new ATOM 0 HG3 GLN A 86 0.405 19.685 32.374 1.00 13.90 H new ATOM 0 HE21 GLN A 86 1.808 20.325 34.121 1.00 17.83 H new ATOM 0 HE22 GLN A 86 1.665 21.622 34.839 1.00 17.83 H new ATOM 678 N ASP A 87 0.793 21.608 27.805 1.00 12.23 N ATOM 679 CA ASP A 87 1.434 22.297 26.666 1.00 12.67 C ATOM 680 C ASP A 87 2.586 23.170 27.218 1.00 12.74 C ATOM 681 O ASP A 87 3.543 23.407 26.493 1.00 13.98 O ATOM 682 CB ASP A 87 0.466 23.173 25.868 1.00 14.20 C ATOM 683 CG ASP A 87 -0.485 22.396 24.981 1.00 14.30 C ATOM 684 OD1 ASP A 87 -0.420 21.178 24.768 1.00 14.00 O ATOM 685 OD2 ASP A 87 -1.366 23.088 24.451 1.00 15.10 O ATOM 0 H ASP A 87 0.012 21.912 27.998 1.00 12.23 H new ATOM 0 HA ASP A 87 1.759 21.619 26.053 1.00 12.67 H new ATOM 0 HB2 ASP A 87 -0.052 23.712 26.486 1.00 14.20 H new ATOM 0 HB3 ASP A 87 0.978 23.786 25.318 1.00 14.20 H new ATOM 686 N ASN A 88 2.421 23.662 28.417 1.00 12.90 N ATOM 687 CA ASN A 88 3.415 24.484 29.107 1.00 14.58 C ATOM 688 C ASN A 88 4.422 23.464 29.709 1.00 13.56 C ATOM 689 O ASN A 88 3.996 22.719 30.592 1.00 12.99 O ATOM 690 CB ASN A 88 2.810 25.315 30.233 1.00 17.20 C ATOM 691 CG ASN A 88 3.866 26.172 30.920 1.00 21.03 C ATOM 692 OD1 ASN A 88 4.743 25.649 31.571 1.00 20.86 O ATOM 693 ND2 ASN A 88 3.825 27.518 30.798 1.00 23.77 N ATOM 0 H ASN A 88 1.708 23.531 28.880 1.00 12.90 H new ATOM 0 HA ASN A 88 3.818 25.117 28.492 1.00 14.58 H new ATOM 0 HB2 ASN A 88 2.110 25.885 29.877 1.00 17.20 H new ATOM 0 HB3 ASN A 88 2.394 24.728 30.883 1.00 17.20 H new ATOM 0 HD21 ASN A 88 4.422 28.003 31.183 1.00 23.77 H new ATOM 0 HD22 ASN A 88 3.202 27.889 30.336 1.00 23.77 H new ATOM 694 N ILE A 89 5.672 23.517 29.268 1.00 12.95 N ATOM 695 CA ILE A 89 6.686 22.583 29.766 1.00 12.94 C ATOM 696 C ILE A 89 7.407 22.984 31.050 1.00 12.64 C ATOM 697 O ILE A 89 8.362 22.241 31.407 1.00 12.19 O ATOM 698 CB ILE A 89 7.675 22.201 28.599 1.00 13.68 C ATOM 699 CG1 ILE A 89 8.572 23.419 28.208 1.00 12.79 C ATOM 700 CG2 ILE A 89 6.876 21.593 27.429 1.00 12.73 C ATOM 701 CD1 ILE A 89 9.637 23.070 27.107 1.00 14.01 C ATOM 0 H ILE A 89 5.957 24.081 28.684 1.00 12.95 H new ATOM 0 HA ILE A 89 6.197 21.795 30.052 1.00 12.94 H new ATOM 0 HB ILE A 89 8.298 21.517 28.892 1.00 13.68 H new ATOM 0 HG12 ILE A 89 8.008 24.140 27.888 1.00 12.79 H new ATOM 0 HG13 ILE A 89 9.028 23.746 28.999 1.00 12.79 H new ATOM 0 HG21 ILE A 89 7.483 21.357 26.710 1.00 12.73 H new ATOM 0 HG22 ILE A 89 6.411 20.798 27.733 1.00 12.73 H new ATOM 0 HG23 ILE A 89 6.230 22.241 27.107 1.00 12.73 H new ATOM 0 HD11 ILE A 89 10.163 23.859 26.904 1.00 14.01 H new ATOM 0 HD12 ILE A 89 10.221 22.367 27.433 1.00 14.01 H new ATOM 0 HD13 ILE A 89 9.185 22.768 26.304 1.00 14.01 H new ATOM 702 N ALA A 90 7.002 24.012 31.750 1.00 10.86 N ATOM 703 CA ALA A 90 7.692 24.378 32.995 1.00 11.13 C ATOM 704 C ALA A 90 7.857 23.217 33.969 1.00 11.26 C ATOM 705 O ALA A 90 9.006 23.082 34.484 1.00 10.86 O ATOM 706 CB ALA A 90 6.983 25.498 33.715 1.00 10.86 C ATOM 0 H ALA A 90 6.338 24.517 31.539 1.00 10.86 H new ATOM 0 HA ALA A 90 8.574 24.663 32.709 1.00 11.13 H new ATOM 0 HB1 ALA A 90 7.463 25.714 34.530 1.00 10.86 H new ATOM 0 HB2 ALA A 90 6.949 26.281 33.143 1.00 10.86 H new ATOM 0 HB3 ALA A 90 6.080 25.220 33.936 1.00 10.86 H new ATOM 707 N ASP A 91 6.788 22.450 34.255 1.00 11.54 N ATOM 708 CA ASP A 91 6.927 21.320 35.211 1.00 11.43 C ATOM 709 C ASP A 91 7.813 20.186 34.658 1.00 11.34 C ATOM 710 O ASP A 91 8.537 19.571 35.446 1.00 10.70 O ATOM 711 CB ASP A 91 5.550 20.779 35.665 1.00 14.02 C ATOM 712 CG ASP A 91 4.696 21.833 36.356 1.00 17.66 C ATOM 713 OD1 ASP A 91 5.313 22.594 37.143 1.00 18.03 O ATOM 714 OD2 ASP A 91 3.475 21.982 36.133 1.00 18.17 O ATOM 0 H ASP A 91 6.002 22.557 33.923 1.00 11.54 H new ATOM 0 HA ASP A 91 7.377 21.678 35.992 1.00 11.43 H new ATOM 0 HB2 ASP A 91 5.072 20.437 34.893 1.00 14.02 H new ATOM 0 HB3 ASP A 91 5.685 20.032 36.269 1.00 14.02 H new ATOM 715 N ALA A 92 7.746 19.913 33.371 1.00 11.83 N ATOM 716 CA ALA A 92 8.514 18.863 32.700 1.00 12.53 C ATOM 717 C ALA A 92 10.005 19.209 32.770 1.00 13.45 C ATOM 718 O ALA A 92 10.828 18.285 32.926 1.00 13.05 O ATOM 719 CB ALA A 92 8.133 18.584 31.259 1.00 11.75 C ATOM 0 H ALA A 92 7.233 20.348 32.835 1.00 11.83 H new ATOM 0 HA ALA A 92 8.302 18.047 33.180 1.00 12.53 H new ATOM 0 HB1 ALA A 92 8.696 17.877 30.906 1.00 11.75 H new ATOM 0 HB2 ALA A 92 7.204 18.308 31.217 1.00 11.75 H new ATOM 0 HB3 ALA A 92 8.255 19.388 30.730 1.00 11.75 H new ATOM 720 N VAL A 93 10.297 20.502 32.639 1.00 11.50 N ATOM 721 CA VAL A 93 11.706 20.935 32.737 1.00 10.79 C ATOM 722 C VAL A 93 12.156 20.763 34.190 1.00 11.44 C ATOM 723 O VAL A 93 13.272 20.289 34.473 1.00 10.89 O ATOM 724 CB VAL A 93 11.850 22.385 32.219 1.00 10.40 C ATOM 725 CG1 VAL A 93 13.094 23.041 32.833 1.00 10.26 C ATOM 726 CG2 VAL A 93 11.842 22.405 30.712 1.00 10.65 C ATOM 0 H VAL A 93 9.725 21.128 32.498 1.00 11.50 H new ATOM 0 HA VAL A 93 12.284 20.392 32.178 1.00 10.79 H new ATOM 0 HB VAL A 93 11.089 22.916 32.502 1.00 10.40 H new ATOM 0 HG11 VAL A 93 13.177 23.949 32.503 1.00 10.26 H new ATOM 0 HG12 VAL A 93 13.009 23.055 33.799 1.00 10.26 H new ATOM 0 HG13 VAL A 93 13.883 22.534 32.585 1.00 10.26 H new ATOM 0 HG21 VAL A 93 11.933 23.319 30.400 1.00 10.65 H new ATOM 0 HG22 VAL A 93 12.582 21.874 30.377 1.00 10.65 H new ATOM 0 HG23 VAL A 93 11.006 22.035 30.388 1.00 10.65 H new ATOM 727 N ALA A 94 11.309 21.135 35.159 1.00 10.69 N ATOM 728 CA ALA A 94 11.712 20.964 36.575 1.00 11.23 C ATOM 729 C ALA A 94 11.954 19.496 36.878 1.00 10.58 C ATOM 730 O ALA A 94 12.849 19.139 37.650 1.00 10.21 O ATOM 731 CB ALA A 94 10.677 21.587 37.486 1.00 11.06 C ATOM 0 H ALA A 94 10.529 21.474 35.033 1.00 10.69 H new ATOM 0 HA ALA A 94 12.549 21.426 36.737 1.00 11.23 H new ATOM 0 HB1 ALA A 94 10.947 21.471 38.410 1.00 11.06 H new ATOM 0 HB2 ALA A 94 10.599 22.533 37.288 1.00 11.06 H new ATOM 0 HB3 ALA A 94 9.820 21.156 37.344 1.00 11.06 H new ATOM 732 N ALA A 95 11.168 18.608 36.327 1.00 11.64 N ATOM 733 CA ALA A 95 11.305 17.148 36.515 1.00 11.20 C ATOM 734 C ALA A 95 12.607 16.686 35.841 1.00 10.19 C ATOM 735 O ALA A 95 13.334 15.863 36.462 1.00 11.01 O ATOM 736 CB ALA A 95 10.112 16.362 35.947 1.00 11.19 C ATOM 0 H ALA A 95 10.513 18.824 35.813 1.00 11.64 H new ATOM 0 HA ALA A 95 11.327 16.969 37.468 1.00 11.20 H new ATOM 0 HB1 ALA A 95 10.249 15.413 36.095 1.00 11.19 H new ATOM 0 HB2 ALA A 95 9.297 16.643 36.392 1.00 11.19 H new ATOM 0 HB3 ALA A 95 10.035 16.533 34.995 1.00 11.19 H new ATOM 737 N ALA A 96 12.844 17.136 34.627 1.00 9.01 N ATOM 738 CA ALA A 96 14.088 16.734 33.912 1.00 9.38 C ATOM 739 C ALA A 96 15.299 17.192 34.713 1.00 10.14 C ATOM 740 O ALA A 96 16.308 16.441 34.772 1.00 10.19 O ATOM 741 CB ALA A 96 14.110 17.303 32.506 1.00 9.52 C ATOM 0 H ALA A 96 12.325 17.664 34.189 1.00 9.01 H new ATOM 0 HA ALA A 96 14.113 15.768 33.831 1.00 9.38 H new ATOM 0 HB1 ALA A 96 14.926 17.030 32.059 1.00 9.52 H new ATOM 0 HB2 ALA A 96 13.344 16.972 32.011 1.00 9.52 H new ATOM 0 HB3 ALA A 96 14.073 18.271 32.548 1.00 9.52 H new ATOM 742 N LYS A 97 15.234 18.380 35.315 1.00 9.08 N ATOM 743 CA LYS A 97 16.376 18.884 36.112 1.00 9.56 C ATOM 744 C LYS A 97 16.590 17.982 37.318 1.00 11.15 C ATOM 745 O LYS A 97 17.716 17.621 37.701 1.00 10.97 O ATOM 746 CB LYS A 97 16.134 20.317 36.577 1.00 10.23 C ATOM 747 CG LYS A 97 16.126 21.339 35.409 1.00 10.49 C ATOM 748 CD LYS A 97 15.937 22.776 35.940 1.00 9.73 C ATOM 749 CE LYS A 97 16.056 23.727 34.773 1.00 11.03 C ATOM 750 NZ LYS A 97 15.834 25.128 35.205 1.00 12.12 N ATOM 0 H LYS A 97 14.555 18.907 35.281 1.00 9.08 H new ATOM 0 HA LYS A 97 17.167 18.878 35.551 1.00 9.56 H new ATOM 0 HB2 LYS A 97 15.285 20.361 37.045 1.00 10.23 H new ATOM 0 HB3 LYS A 97 16.822 20.566 37.214 1.00 10.23 H new ATOM 0 HG2 LYS A 97 16.959 21.279 34.915 1.00 10.49 H new ATOM 0 HG3 LYS A 97 15.412 21.122 34.789 1.00 10.49 H new ATOM 0 HD2 LYS A 97 15.070 22.869 36.365 1.00 9.73 H new ATOM 0 HD3 LYS A 97 16.606 22.979 36.612 1.00 9.73 H new ATOM 0 HE2 LYS A 97 16.935 23.644 34.372 1.00 11.03 H new ATOM 0 HE3 LYS A 97 15.409 23.489 34.090 1.00 11.03 H new ATOM 0 HZ1 LYS A 97 15.779 25.654 34.489 1.00 12.12 H new ATOM 0 HZ2 LYS A 97 15.077 25.179 35.670 1.00 12.12 H new ATOM 0 HZ3 LYS A 97 16.513 25.393 35.715 1.00 12.12 H new ATOM 751 N ARG A 98 15.490 17.552 37.942 1.00 12.36 N ATOM 752 CA ARG A 98 15.594 16.618 39.095 1.00 12.47 C ATOM 753 C ARG A 98 16.240 15.311 38.658 1.00 10.96 C ATOM 754 O ARG A 98 17.123 14.789 39.347 1.00 12.59 O ATOM 755 CB ARG A 98 14.211 16.325 39.689 1.00 13.32 C ATOM 756 CG ARG A 98 14.231 15.183 40.706 1.00 15.82 C ATOM 757 CD ARG A 98 14.889 15.608 41.969 1.00 18.99 C ATOM 758 NE ARG A 98 15.130 14.574 42.948 1.00 22.46 N ATOM 759 CZ ARG A 98 16.032 13.581 42.901 1.00 23.90 C ATOM 760 NH1 ARG A 98 16.921 13.373 41.930 1.00 22.12 N ATOM 761 NH2 ARG A 98 16.015 12.746 43.962 1.00 24.38 N ATOM 0 H ARG A 98 14.688 17.777 37.728 1.00 12.36 H new ATOM 0 HA ARG A 98 16.144 17.042 39.773 1.00 12.47 H new ATOM 0 HB2 ARG A 98 13.871 17.127 40.116 1.00 13.32 H new ATOM 0 HB3 ARG A 98 13.596 16.103 38.972 1.00 13.32 H new ATOM 0 HG2 ARG A 98 13.324 14.894 40.891 1.00 15.82 H new ATOM 0 HG3 ARG A 98 14.701 14.421 40.333 1.00 15.82 H new ATOM 0 HD2 ARG A 98 15.739 16.019 41.746 1.00 18.99 H new ATOM 0 HD3 ARG A 98 14.341 16.295 42.381 1.00 18.99 H new ATOM 0 HE ARG A 98 14.633 14.597 43.649 1.00 22.46 H new ATOM 0 HH11 ARG A 98 16.951 13.903 41.253 1.00 22.12 H new ATOM 0 HH12 ARG A 98 17.465 12.709 41.980 1.00 22.12 H new ATOM 0 HH21 ARG A 98 15.453 12.874 44.601 1.00 24.38 H new ATOM 0 HH22 ARG A 98 16.566 12.087 43.999 1.00 24.38 H new ATOM 762 N VAL A 99 15.874 14.708 37.544 1.00 11.42 N ATOM 763 CA VAL A 99 16.445 13.451 37.068 1.00 11.85 C ATOM 764 C VAL A 99 17.980 13.559 36.934 1.00 12.37 C ATOM 765 O VAL A 99 18.674 12.638 37.369 1.00 13.63 O ATOM 766 CB VAL A 99 15.877 13.021 35.703 1.00 11.10 C ATOM 767 CG1 VAL A 99 16.607 11.818 35.113 1.00 12.43 C ATOM 768 CG2 VAL A 99 14.382 12.781 35.728 1.00 11.01 C ATOM 0 H VAL A 99 15.267 15.024 37.023 1.00 11.42 H new ATOM 0 HA VAL A 99 16.206 12.784 37.731 1.00 11.85 H new ATOM 0 HB VAL A 99 16.036 13.778 35.118 1.00 11.10 H new ATOM 0 HG11 VAL A 99 16.213 11.588 34.257 1.00 12.43 H new ATOM 0 HG12 VAL A 99 17.544 12.037 34.989 1.00 12.43 H new ATOM 0 HG13 VAL A 99 16.529 11.063 35.718 1.00 12.43 H new ATOM 0 HG21 VAL A 99 14.082 12.514 34.845 1.00 11.01 H new ATOM 0 HG22 VAL A 99 14.177 12.078 36.365 1.00 11.01 H new ATOM 0 HG23 VAL A 99 13.927 13.597 35.990 1.00 11.01 H new ATOM 769 N VAL A 100 18.472 14.628 36.340 1.00 11.50 N ATOM 770 CA VAL A 100 19.919 14.779 36.141 1.00 11.94 C ATOM 771 C VAL A 100 20.699 15.148 37.381 1.00 13.83 C ATOM 772 O VAL A 100 21.953 15.195 37.326 1.00 14.22 O ATOM 773 CB VAL A 100 20.235 15.623 34.901 1.00 10.37 C ATOM 774 CG1 VAL A 100 19.602 15.017 33.637 1.00 10.00 C ATOM 775 CG2 VAL A 100 19.961 17.123 35.080 1.00 10.66 C ATOM 0 H VAL A 100 17.997 15.280 36.042 1.00 11.50 H new ATOM 0 HA VAL A 100 20.257 13.890 35.952 1.00 11.94 H new ATOM 0 HB VAL A 100 21.196 15.584 34.776 1.00 10.37 H new ATOM 0 HG11 VAL A 100 19.818 15.570 32.870 1.00 10.00 H new ATOM 0 HG12 VAL A 100 19.950 14.122 33.498 1.00 10.00 H new ATOM 0 HG13 VAL A 100 18.639 14.976 33.745 1.00 10.00 H new ATOM 0 HG21 VAL A 100 20.182 17.593 34.261 1.00 10.66 H new ATOM 0 HG22 VAL A 100 19.023 17.258 35.287 1.00 10.66 H new ATOM 0 HG23 VAL A 100 20.504 17.467 35.806 1.00 10.66 H new ATOM 776 N ARG A 101 20.062 15.459 38.489 1.00 14.30 N ATOM 777 CA ARG A 101 20.755 15.756 39.726 1.00 16.46 C ATOM 778 C ARG A 101 21.226 14.427 40.330 1.00 18.35 C ATOM 779 O ARG A 101 22.025 14.491 41.306 1.00 20.56 O ATOM 780 CB ARG A 101 19.931 16.562 40.714 1.00 16.01 C ATOM 781 CG ARG A 101 19.657 17.988 40.220 1.00 15.95 C ATOM 782 CD ARG A 101 19.369 18.955 41.309 1.00 15.71 C ATOM 783 NE ARG A 101 18.065 18.861 41.878 1.00 17.35 N ATOM 784 CZ ARG A 101 16.904 19.314 41.388 1.00 17.88 C ATOM 785 NH1 ARG A 101 16.733 19.984 40.263 1.00 17.39 N ATOM 786 NH2 ARG A 101 15.807 19.053 42.094 1.00 17.56 N ATOM 0 H ARG A 101 19.205 15.505 38.548 1.00 14.30 H new ATOM 0 HA ARG A 101 21.511 16.329 39.524 1.00 16.46 H new ATOM 0 HB2 ARG A 101 19.088 16.110 40.873 1.00 16.01 H new ATOM 0 HB3 ARG A 101 20.397 16.601 41.564 1.00 16.01 H new ATOM 0 HG2 ARG A 101 20.425 18.300 39.717 1.00 15.95 H new ATOM 0 HG3 ARG A 101 18.905 17.970 39.608 1.00 15.95 H new ATOM 0 HD2 ARG A 101 20.023 18.830 42.014 1.00 15.71 H new ATOM 0 HD3 ARG A 101 19.492 19.853 40.965 1.00 15.71 H new ATOM 0 HE ARG A 101 18.018 18.460 42.637 1.00 17.35 H new ATOM 0 HH11 ARG A 101 17.410 20.169 39.765 1.00 17.39 H new ATOM 0 HH12 ARG A 101 15.945 20.236 40.028 1.00 17.39 H new ATOM 0 HH21 ARG A 101 15.864 18.611 42.830 1.00 17.56 H new ATOM 0 HH22 ARG A 101 15.041 19.326 41.815 1.00 17.56 H new ATOM 787 N ASP A 102 20.780 13.302 39.806 1.00 17.64 N ATOM 788 CA ASP A 102 21.227 11.977 40.298 1.00 17.67 C ATOM 789 C ASP A 102 22.571 11.722 39.593 1.00 17.31 C ATOM 790 O ASP A 102 22.772 12.347 38.539 1.00 16.92 O ATOM 791 CB ASP A 102 20.219 10.914 39.905 1.00 18.58 C ATOM 792 CG ASP A 102 19.263 10.531 41.008 1.00 22.64 C ATOM 793 OD1 ASP A 102 19.047 11.347 41.924 1.00 23.89 O ATOM 794 OD2 ASP A 102 18.721 9.403 40.945 1.00 25.97 O ATOM 0 H ASP A 102 20.214 13.267 39.160 1.00 17.64 H new ATOM 0 HA ASP A 102 21.312 11.952 41.264 1.00 17.67 H new ATOM 0 HB2 ASP A 102 19.708 11.232 39.144 1.00 18.58 H new ATOM 0 HB3 ASP A 102 20.697 10.121 39.615 1.00 18.58 H new ATOM 795 N PRO A 103 23.401 10.869 40.155 1.00 17.96 N ATOM 796 CA PRO A 103 24.729 10.569 39.601 1.00 18.14 C ATOM 797 C PRO A 103 24.785 10.226 38.125 1.00 18.03 C ATOM 798 O PRO A 103 25.748 10.653 37.437 1.00 17.39 O ATOM 799 CB PRO A 103 25.330 9.497 40.507 1.00 19.09 C ATOM 800 CG PRO A 103 24.315 9.176 41.550 1.00 19.71 C ATOM 801 CD PRO A 103 23.162 10.162 41.428 1.00 19.06 C ATOM 0 HA PRO A 103 25.259 11.381 39.604 1.00 18.14 H new ATOM 0 HB2 PRO A 103 25.556 8.705 39.995 1.00 19.09 H new ATOM 0 HB3 PRO A 103 26.150 9.815 40.915 1.00 19.09 H new ATOM 0 HG2 PRO A 103 23.994 8.268 41.438 1.00 19.71 H new ATOM 0 HG3 PRO A 103 24.712 9.230 42.433 1.00 19.71 H new ATOM 0 HD2 PRO A 103 22.307 9.704 41.421 1.00 19.06 H new ATOM 0 HD3 PRO A 103 23.147 10.780 42.176 1.00 19.06 H new ATOM 802 N GLN A 104 23.823 9.511 37.552 1.00 16.29 N ATOM 803 CA GLN A 104 23.809 9.137 36.147 1.00 16.77 C ATOM 804 C GLN A 104 23.737 10.326 35.186 1.00 15.08 C ATOM 805 O GLN A 104 24.206 10.201 34.029 1.00 14.01 O ATOM 806 CB GLN A 104 22.648 8.202 35.796 1.00 19.76 C ATOM 807 CG GLN A 104 22.779 6.743 36.121 1.00 24.35 C ATOM 808 CD GLN A 104 21.781 5.910 35.340 1.00 26.72 C ATOM 809 OE1 GLN A 104 20.612 5.822 35.740 1.00 30.53 O ATOM 810 NE2 GLN A 104 22.154 5.295 34.224 1.00 27.08 N ATOM 0 H GLN A 104 23.139 9.222 37.986 1.00 16.29 H new ATOM 0 HA GLN A 104 24.659 8.684 36.030 1.00 16.77 H new ATOM 0 HB2 GLN A 104 21.856 8.534 36.246 1.00 19.76 H new ATOM 0 HB3 GLN A 104 22.486 8.278 34.843 1.00 19.76 H new ATOM 0 HG2 GLN A 104 23.680 6.445 35.919 1.00 24.35 H new ATOM 0 HG3 GLN A 104 22.642 6.608 37.072 1.00 24.35 H new ATOM 0 HE21 GLN A 104 22.966 5.358 33.949 1.00 27.08 H new ATOM 0 HE22 GLN A 104 21.583 4.833 33.776 1.00 27.08 H new ATOM 811 N GLY A 105 23.148 11.430 35.637 1.00 14.46 N ATOM 812 CA GLY A 105 23.009 12.629 34.771 1.00 13.68 C ATOM 813 C GLY A 105 22.082 12.255 33.611 1.00 13.32 C ATOM 814 O GLY A 105 21.092 11.534 33.743 1.00 14.04 O ATOM 0 H GLY A 105 22.822 11.517 36.428 1.00 14.46 H new ATOM 0 HA2 GLY A 105 22.642 13.373 35.274 1.00 13.68 H new ATOM 0 HA3 GLY A 105 23.875 12.911 34.438 1.00 13.68 H new ATOM 815 N ILE A 106 22.450 12.758 32.465 1.00 13.77 N ATOM 816 CA ILE A 106 21.716 12.577 31.189 1.00 14.92 C ATOM 817 C ILE A 106 21.723 11.136 30.709 1.00 14.72 C ATOM 818 O ILE A 106 20.874 10.776 29.883 1.00 13.40 O ATOM 819 CB ILE A 106 22.302 13.618 30.158 1.00 14.28 C ATOM 820 CG1 ILE A 106 21.407 13.712 28.904 1.00 17.44 C ATOM 821 CG2 ILE A 106 23.759 13.313 29.774 1.00 15.53 C ATOM 822 CD1 ILE A 106 20.104 14.529 28.971 1.00 14.86 C ATOM 0 H ILE A 106 23.159 13.237 32.379 1.00 13.77 H new ATOM 0 HA ILE A 106 20.770 12.758 31.307 1.00 14.92 H new ATOM 0 HB ILE A 106 22.306 14.481 30.601 1.00 14.28 H new ATOM 0 HG12 ILE A 106 21.946 14.081 28.187 1.00 17.44 H new ATOM 0 HG13 ILE A 106 21.171 12.807 28.645 1.00 17.44 H new ATOM 0 HG21 ILE A 106 24.073 13.978 29.141 1.00 15.53 H new ATOM 0 HG22 ILE A 106 24.315 13.336 30.569 1.00 15.53 H new ATOM 0 HG23 ILE A 106 23.810 12.433 29.370 1.00 15.53 H new ATOM 0 HD11 ILE A 106 19.655 14.494 28.112 1.00 14.86 H new ATOM 0 HD12 ILE A 106 19.524 14.158 29.654 1.00 14.86 H new ATOM 0 HD13 ILE A 106 20.311 15.451 29.189 1.00 14.86 H new ATOM 823 N ARG A 107 22.673 10.337 31.194 1.00 14.22 N ATOM 824 CA ARG A 107 22.746 8.911 30.827 1.00 14.89 C ATOM 825 C ARG A 107 21.548 8.142 31.376 1.00 15.48 C ATOM 826 O ARG A 107 21.357 6.991 30.981 1.00 15.53 O ATOM 827 CB ARG A 107 24.031 8.254 31.413 1.00 17.60 C ATOM 828 CG ARG A 107 25.252 8.632 30.550 1.00 19.03 C ATOM 829 CD ARG A 107 26.520 8.441 31.326 1.00 21.87 C ATOM 830 NE ARG A 107 27.699 8.505 30.483 1.00 22.74 N ATOM 831 CZ ARG A 107 28.198 9.616 29.929 1.00 24.17 C ATOM 832 NH1 ARG A 107 27.647 10.831 30.155 1.00 23.02 N ATOM 833 NH2 ARG A 107 29.265 9.504 29.117 1.00 23.24 N ATOM 0 H ARG A 107 23.287 10.596 31.737 1.00 14.22 H new ATOM 0 HA ARG A 107 22.756 8.870 29.858 1.00 14.89 H new ATOM 0 HB2 ARG A 107 24.167 8.549 32.327 1.00 17.60 H new ATOM 0 HB3 ARG A 107 23.928 7.290 31.438 1.00 17.60 H new ATOM 0 HG2 ARG A 107 25.271 8.085 29.749 1.00 19.03 H new ATOM 0 HG3 ARG A 107 25.178 9.555 30.262 1.00 19.03 H new ATOM 0 HD2 ARG A 107 26.580 9.122 32.015 1.00 21.87 H new ATOM 0 HD3 ARG A 107 26.494 7.583 31.777 1.00 21.87 H new ATOM 0 HE ARG A 107 28.112 7.767 30.326 1.00 22.74 H new ATOM 0 HH11 ARG A 107 26.959 10.903 30.666 1.00 23.02 H new ATOM 0 HH12 ARG A 107 27.985 11.531 29.788 1.00 23.02 H new ATOM 0 HH21 ARG A 107 29.610 8.731 28.965 1.00 23.24 H new ATOM 0 HH22 ARG A 107 29.602 10.205 28.750 1.00 23.24 H new ATOM 834 N ALA A 108 20.762 8.720 32.256 1.00 14.77 N ATOM 835 CA ALA A 108 19.592 8.097 32.850 1.00 15.19 C ATOM 836 C ALA A 108 18.645 7.657 31.739 1.00 15.93 C ATOM 837 O ALA A 108 17.889 6.692 31.911 1.00 16.26 O ATOM 838 CB ALA A 108 18.926 9.064 33.816 1.00 16.67 C ATOM 0 H ALA A 108 20.897 9.521 32.539 1.00 14.77 H new ATOM 0 HA ALA A 108 19.849 7.312 33.358 1.00 15.19 H new ATOM 0 HB1 ALA A 108 18.146 8.643 34.209 1.00 16.67 H new ATOM 0 HB2 ALA A 108 19.552 9.303 34.517 1.00 16.67 H new ATOM 0 HB3 ALA A 108 18.655 9.864 33.338 1.00 16.67 H new ATOM 839 N TRP A 109 18.698 8.335 30.600 1.00 14.93 N ATOM 840 CA TRP A 109 17.873 8.029 29.443 1.00 14.28 C ATOM 841 C TRP A 109 18.712 7.224 28.471 1.00 14.36 C ATOM 842 O TRP A 109 19.669 7.752 27.888 1.00 12.94 O ATOM 843 CB TRP A 109 17.332 9.299 28.773 1.00 14.13 C ATOM 844 CG TRP A 109 16.284 10.114 29.445 1.00 13.11 C ATOM 845 CD1 TRP A 109 14.931 9.933 29.367 1.00 13.91 C ATOM 846 CD2 TRP A 109 16.459 11.275 30.263 1.00 13.79 C ATOM 847 NE1 TRP A 109 14.262 10.892 30.087 1.00 13.19 N ATOM 848 CE2 TRP A 109 15.186 11.724 30.654 1.00 13.91 C ATOM 849 CE3 TRP A 109 17.598 11.956 30.709 1.00 14.36 C ATOM 850 CZ2 TRP A 109 14.976 12.860 31.445 1.00 13.28 C ATOM 851 CZ3 TRP A 109 17.413 13.070 31.519 1.00 15.41 C ATOM 852 CH2 TRP A 109 16.125 13.516 31.880 1.00 15.36 C ATOM 0 H TRP A 109 19.228 9.001 30.477 1.00 14.93 H new ATOM 0 HA TRP A 109 17.099 7.518 29.727 1.00 14.28 H new ATOM 0 HB2 TRP A 109 18.089 9.883 28.610 1.00 14.13 H new ATOM 0 HB3 TRP A 109 16.982 9.040 27.906 1.00 14.13 H new ATOM 0 HD1 TRP A 109 14.518 9.250 28.889 1.00 13.91 H new ATOM 0 HE1 TRP A 109 13.408 10.958 30.167 1.00 13.19 H new ATOM 0 HE3 TRP A 109 18.451 11.672 30.471 1.00 14.36 H new ATOM 0 HZ2 TRP A 109 14.123 13.158 31.666 1.00 13.28 H new ATOM 0 HZ3 TRP A 109 18.157 13.533 31.831 1.00 15.41 H new ATOM 0 HH2 TRP A 109 16.041 14.267 32.422 1.00 15.36 H new ATOM 853 N VAL A 110 18.302 5.962 28.268 1.00 15.15 N ATOM 854 CA VAL A 110 19.041 5.092 27.328 1.00 15.57 C ATOM 855 C VAL A 110 18.973 5.625 25.923 1.00 14.67 C ATOM 856 O VAL A 110 19.952 5.466 25.137 1.00 15.18 O ATOM 857 CB VAL A 110 18.605 3.604 27.479 1.00 17.90 C ATOM 858 CG1 VAL A 110 17.292 3.366 26.758 1.00 19.20 C ATOM 859 CG2 VAL A 110 19.685 2.681 26.892 1.00 17.73 C ATOM 0 H VAL A 110 17.622 5.598 28.649 1.00 15.15 H new ATOM 0 HA VAL A 110 19.983 5.106 27.558 1.00 15.57 H new ATOM 0 HB VAL A 110 18.490 3.409 28.422 1.00 17.90 H new ATOM 0 HG11 VAL A 110 17.031 2.437 26.859 1.00 19.20 H new ATOM 0 HG12 VAL A 110 16.606 3.937 27.137 1.00 19.20 H new ATOM 0 HG13 VAL A 110 17.398 3.571 25.816 1.00 19.20 H new ATOM 0 HG21 VAL A 110 19.408 1.756 26.989 1.00 17.73 H new ATOM 0 HG22 VAL A 110 19.809 2.884 25.952 1.00 17.73 H new ATOM 0 HG23 VAL A 110 20.521 2.819 27.365 1.00 17.73 H new ATOM 860 N ALA A 111 17.908 6.283 25.524 1.00 14.33 N ATOM 861 CA ALA A 111 17.811 6.869 24.193 1.00 14.40 C ATOM 862 C ALA A 111 18.928 7.904 23.973 1.00 13.48 C ATOM 863 O ALA A 111 19.399 8.093 22.832 1.00 14.16 O ATOM 864 CB ALA A 111 16.468 7.599 24.021 1.00 15.50 C ATOM 0 H ALA A 111 17.213 6.407 26.015 1.00 14.33 H new ATOM 0 HA ALA A 111 17.889 6.144 23.553 1.00 14.40 H new ATOM 0 HB1 ALA A 111 16.420 7.983 23.131 1.00 15.50 H new ATOM 0 HB2 ALA A 111 15.740 6.970 24.141 1.00 15.50 H new ATOM 0 HB3 ALA A 111 16.397 8.306 24.682 1.00 15.50 H new ATOM 865 N TRP A 112 19.353 8.570 25.035 1.00 13.50 N ATOM 866 CA TRP A 112 20.444 9.579 24.934 1.00 11.85 C ATOM 867 C TRP A 112 21.752 8.894 24.519 1.00 12.00 C ATOM 868 O TRP A 112 22.498 9.322 23.634 1.00 9.64 O ATOM 869 CB TRP A 112 20.560 10.430 26.202 1.00 11.58 C ATOM 870 CG TRP A 112 21.648 11.446 26.025 1.00 12.19 C ATOM 871 CD1 TRP A 112 21.515 12.668 25.441 1.00 11.17 C ATOM 872 CD2 TRP A 112 23.036 11.307 26.409 1.00 12.98 C ATOM 873 NE1 TRP A 112 22.721 13.318 25.438 1.00 13.42 N ATOM 874 CE2 TRP A 112 23.681 12.528 26.017 1.00 13.79 C ATOM 875 CE3 TRP A 112 23.777 10.316 27.025 1.00 13.18 C ATOM 876 CZ2 TRP A 112 25.047 12.760 26.215 1.00 14.16 C ATOM 877 CZ3 TRP A 112 25.155 10.537 27.233 1.00 13.40 C ATOM 878 CH2 TRP A 112 25.744 11.730 26.856 1.00 12.51 C ATOM 0 H TRP A 112 19.036 8.466 25.828 1.00 13.50 H new ATOM 0 HA TRP A 112 20.225 10.215 24.235 1.00 11.85 H new ATOM 0 HB2 TRP A 112 19.717 10.873 26.384 1.00 11.58 H new ATOM 0 HB3 TRP A 112 20.754 9.865 26.966 1.00 11.58 H new ATOM 0 HD1 TRP A 112 20.723 13.011 25.095 1.00 11.17 H new ATOM 0 HE1 TRP A 112 22.856 14.105 25.120 1.00 13.42 H new ATOM 0 HE3 TRP A 112 23.376 9.522 27.296 1.00 13.18 H new ATOM 0 HZ2 TRP A 112 25.463 13.545 25.939 1.00 14.16 H new ATOM 0 HZ3 TRP A 112 25.673 9.873 27.628 1.00 13.40 H new ATOM 0 HH2 TRP A 112 26.648 11.854 27.037 1.00 12.51 H new ATOM 879 N ARG A 113 22.002 7.772 25.191 1.00 13.28 N ATOM 880 CA ARG A 113 23.190 6.921 24.972 1.00 14.09 C ATOM 881 C ARG A 113 23.232 6.391 23.559 1.00 14.94 C ATOM 882 O ARG A 113 24.289 6.425 22.894 1.00 15.00 O ATOM 883 CB ARG A 113 23.220 5.717 25.916 1.00 15.65 C ATOM 884 CG ARG A 113 23.355 6.093 27.385 1.00 18.26 C ATOM 885 CD ARG A 113 23.405 4.840 28.203 1.00 21.06 C ATOM 886 NE ARG A 113 22.862 5.113 29.527 1.00 24.48 N ATOM 887 CZ ARG A 113 22.256 4.115 30.172 1.00 27.43 C ATOM 888 NH1 ARG A 113 22.170 2.904 29.608 1.00 27.91 N ATOM 889 NH2 ARG A 113 21.760 4.365 31.388 1.00 28.88 N ATOM 0 H ARG A 113 21.478 7.471 25.803 1.00 13.28 H new ATOM 0 HA ARG A 113 23.956 7.490 25.145 1.00 14.09 H new ATOM 0 HB2 ARG A 113 22.407 5.202 25.796 1.00 15.65 H new ATOM 0 HB3 ARG A 113 23.960 5.141 25.669 1.00 15.65 H new ATOM 0 HG2 ARG A 113 24.159 6.617 27.525 1.00 18.26 H new ATOM 0 HG3 ARG A 113 22.606 6.644 27.661 1.00 18.26 H new ATOM 0 HD2 ARG A 113 22.895 4.137 27.770 1.00 21.06 H new ATOM 0 HD3 ARG A 113 24.319 4.524 28.275 1.00 21.06 H new ATOM 0 HE ARG A 113 22.930 5.893 29.882 1.00 24.48 H new ATOM 0 HH11 ARG A 113 22.506 2.768 28.828 1.00 27.91 H new ATOM 0 HH12 ARG A 113 21.779 2.262 30.026 1.00 27.91 H new ATOM 0 HH21 ARG A 113 21.837 5.150 31.731 1.00 28.88 H new ATOM 0 HH22 ARG A 113 21.364 3.741 31.828 1.00 28.88 H new ATOM 890 N ASN A 114 22.073 5.927 23.084 1.00 15.23 N ATOM 891 CA ASN A 114 21.983 5.374 21.728 1.00 14.93 C ATOM 892 C ASN A 114 22.048 6.390 20.595 1.00 14.17 C ATOM 893 O ASN A 114 22.626 6.120 19.534 1.00 13.29 O ATOM 894 CB ASN A 114 20.660 4.637 21.495 1.00 15.29 C ATOM 895 CG ASN A 114 20.368 3.550 22.496 1.00 17.48 C ATOM 896 OD1 ASN A 114 21.233 3.016 23.172 1.00 15.91 O ATOM 897 ND2 ASN A 114 19.058 3.275 22.605 1.00 18.90 N ATOM 0 H ASN A 114 21.335 5.923 23.525 1.00 15.23 H new ATOM 0 HA ASN A 114 22.762 4.797 21.699 1.00 14.93 H new ATOM 0 HB2 ASN A 114 19.936 5.282 21.514 1.00 15.29 H new ATOM 0 HB3 ASN A 114 20.671 4.249 20.606 1.00 15.29 H new ATOM 0 HD21 ASN A 114 18.787 2.693 23.177 1.00 18.90 H new ATOM 0 HD22 ASN A 114 18.490 3.681 22.103 1.00 18.90 H new ATOM 898 N ARG A 115 21.343 7.509 20.838 1.00 13.81 N ATOM 899 CA ARG A 115 21.203 8.525 19.788 1.00 14.82 C ATOM 900 C ARG A 115 21.933 9.848 19.888 1.00 13.20 C ATOM 901 O ARG A 115 21.902 10.508 18.824 1.00 14.48 O ATOM 902 CB ARG A 115 19.708 8.969 19.702 1.00 16.25 C ATOM 903 CG ARG A 115 18.737 7.746 19.736 1.00 18.56 C ATOM 904 CD ARG A 115 18.574 7.377 18.290 1.00 21.45 C ATOM 905 NE ARG A 115 17.683 6.226 18.183 1.00 24.32 N ATOM 906 CZ ARG A 115 17.318 5.747 16.991 1.00 23.27 C ATOM 907 NH1 ARG A 115 17.761 6.250 15.846 1.00 24.12 N ATOM 908 NH2 ARG A 115 16.443 4.765 17.125 1.00 24.20 N ATOM 0 H ARG A 115 20.951 7.692 21.581 1.00 13.81 H new ATOM 0 HA ARG A 115 21.594 8.046 19.041 1.00 14.82 H new ATOM 0 HB2 ARG A 115 19.504 9.564 20.440 1.00 16.25 H new ATOM 0 HB3 ARG A 115 19.566 9.472 18.885 1.00 16.25 H new ATOM 0 HG2 ARG A 115 19.107 7.012 20.251 1.00 18.56 H new ATOM 0 HG3 ARG A 115 17.887 7.978 20.142 1.00 18.56 H new ATOM 0 HD2 ARG A 115 18.212 8.127 17.793 1.00 21.45 H new ATOM 0 HD3 ARG A 115 19.437 7.168 17.899 1.00 21.45 H new ATOM 0 HE ARG A 115 17.389 5.851 18.898 1.00 24.32 H new ATOM 0 HH11 ARG A 115 18.308 6.914 15.851 1.00 24.12 H new ATOM 0 HH12 ARG A 115 17.501 5.912 15.099 1.00 24.12 H new ATOM 0 HH21 ARG A 115 16.188 4.520 17.909 1.00 24.20 H new ATOM 0 HH22 ARG A 115 16.129 4.371 16.428 1.00 24.20 H new ATOM 909 N CYS A 116 22.471 10.170 21.019 1.00 13.28 N ATOM 910 CA CYS A 116 23.105 11.500 21.197 1.00 14.02 C ATOM 911 C CYS A 116 24.541 11.470 21.687 1.00 14.53 C ATOM 912 O CYS A 116 25.317 12.343 21.269 1.00 14.47 O ATOM 913 CB CYS A 116 22.279 12.310 22.265 1.00 12.43 C ATOM 914 SG CYS A 116 20.493 12.347 21.856 1.00 12.41 S ATOM 0 H CYS A 116 22.496 9.660 21.711 1.00 13.28 H new ATOM 0 HA CYS A 116 23.111 11.902 20.314 1.00 14.02 H new ATOM 0 HB2 CYS A 116 22.402 11.911 23.140 1.00 12.43 H new ATOM 0 HB3 CYS A 116 22.618 13.217 22.317 1.00 12.43 H new ATOM 915 N GLN A 117 24.850 10.525 22.566 1.00 14.96 N ATOM 916 CA GLN A 117 26.224 10.464 23.133 1.00 16.33 C ATOM 917 C GLN A 117 27.270 10.273 22.043 1.00 16.59 C ATOM 918 O GLN A 117 27.066 9.437 21.147 1.00 15.42 O ATOM 919 CB GLN A 117 26.294 9.385 24.210 1.00 18.45 C ATOM 920 CG GLN A 117 27.694 8.972 24.629 1.00 20.28 C ATOM 921 CD GLN A 117 27.672 7.982 25.747 1.00 21.74 C ATOM 922 OE1 GLN A 117 26.552 7.325 26.017 1.00 25.17 O flip ATOM 923 NE2 GLN A 117 28.677 7.790 26.425 1.00 22.61 N flip ATOM 0 H GLN A 117 24.308 9.920 22.850 1.00 14.96 H new ATOM 0 HA GLN A 117 26.429 11.314 23.553 1.00 16.33 H new ATOM 0 HB2 GLN A 117 25.818 9.701 24.994 1.00 18.45 H new ATOM 0 HB3 GLN A 117 25.824 8.599 23.890 1.00 18.45 H new ATOM 0 HG2 GLN A 117 28.159 8.590 23.868 1.00 20.28 H new ATOM 0 HG3 GLN A 117 28.194 9.757 24.902 1.00 20.28 H new ATOM 0 HE21 GLN A 117 29.403 8.217 26.249 1.00 22.61 H new ATOM 0 HE22 GLN A 117 28.656 7.229 27.076 1.00 22.61 H new ATOM 924 N ASN A 118 28.349 11.057 22.179 1.00 16.35 N ATOM 925 CA ASN A 118 29.470 10.978 21.228 1.00 18.39 C ATOM 926 C ASN A 118 29.075 11.215 19.800 1.00 17.81 C ATOM 927 O ASN A 118 29.655 10.565 18.907 1.00 21.66 O ATOM 928 CB ASN A 118 30.260 9.646 21.379 1.00 20.13 C ATOM 929 CG ASN A 118 30.798 9.547 22.792 1.00 22.36 C ATOM 930 OD1 ASN A 118 30.768 8.475 23.419 1.00 25.63 O ATOM 931 ND2 ASN A 118 31.245 10.651 23.397 1.00 23.47 N ATOM 0 H ASN A 118 28.451 11.635 22.808 1.00 16.35 H new ATOM 0 HA ASN A 118 30.059 11.712 21.466 1.00 18.39 H new ATOM 0 HB2 ASN A 118 29.682 8.891 21.187 1.00 20.13 H new ATOM 0 HB3 ASN A 118 30.989 9.615 20.740 1.00 20.13 H new ATOM 0 HD21 ASN A 118 31.509 10.616 24.215 1.00 23.47 H new ATOM 0 HD22 ASN A 118 31.268 11.396 22.969 1.00 23.47 H new ATOM 932 N ARG A 119 28.096 12.036 19.545 1.00 16.94 N ATOM 933 CA ARG A 119 27.620 12.432 18.243 1.00 16.60 C ATOM 934 C ARG A 119 27.693 13.987 18.158 1.00 15.56 C ATOM 935 O ARG A 119 27.752 14.684 19.175 1.00 15.31 O ATOM 936 CB ARG A 119 26.137 12.104 17.966 1.00 18.70 C ATOM 937 CG ARG A 119 25.839 10.644 18.279 1.00 20.49 C ATOM 938 CD ARG A 119 25.067 9.996 17.204 1.00 22.19 C ATOM 939 NE ARG A 119 24.653 8.644 17.642 1.00 21.67 N ATOM 940 CZ ARG A 119 24.312 7.763 16.692 1.00 22.85 C ATOM 941 NH1 ARG A 119 24.410 8.143 15.420 1.00 22.75 N ATOM 942 NH2 ARG A 119 23.877 6.550 17.040 1.00 22.55 N ATOM 0 H ARG A 119 27.651 12.411 20.178 1.00 16.94 H new ATOM 0 HA ARG A 119 28.173 11.949 17.609 1.00 16.60 H new ATOM 0 HB2 ARG A 119 25.569 12.677 18.504 1.00 18.70 H new ATOM 0 HB3 ARG A 119 25.928 12.289 17.037 1.00 18.70 H new ATOM 0 HG2 ARG A 119 26.672 10.166 18.411 1.00 20.49 H new ATOM 0 HG3 ARG A 119 25.344 10.587 19.111 1.00 20.49 H new ATOM 0 HD2 ARG A 119 24.287 10.529 16.986 1.00 22.19 H new ATOM 0 HD3 ARG A 119 25.603 9.936 16.398 1.00 22.19 H new ATOM 0 HE ARG A 119 24.632 8.432 18.475 1.00 21.67 H new ATOM 0 HH11 ARG A 119 24.686 8.935 15.228 1.00 22.75 H new ATOM 0 HH12 ARG A 119 24.197 7.597 14.791 1.00 22.75 H new ATOM 0 HH21 ARG A 119 23.817 6.337 17.871 1.00 22.55 H new ATOM 0 HH22 ARG A 119 23.657 5.982 16.433 1.00 22.55 H new ATOM 943 N ASP A 120 27.617 14.404 16.935 1.00 16.00 N ATOM 944 CA ASP A 120 27.613 15.834 16.575 1.00 17.31 C ATOM 945 C ASP A 120 26.143 16.281 16.794 1.00 16.71 C ATOM 946 O ASP A 120 25.339 16.077 15.866 1.00 17.89 O ATOM 947 CB ASP A 120 28.073 16.009 15.130 1.00 18.06 C ATOM 948 CG ASP A 120 28.148 17.503 14.778 1.00 20.58 C ATOM 949 OD1 ASP A 120 28.004 18.362 15.686 1.00 21.63 O ATOM 950 OD2 ASP A 120 28.410 17.702 13.583 1.00 20.96 O ATOM 0 H ASP A 120 27.564 13.876 16.259 1.00 16.00 H new ATOM 0 HA ASP A 120 28.222 16.371 17.106 1.00 17.31 H new ATOM 0 HB2 ASP A 120 28.942 15.596 15.007 1.00 18.06 H new ATOM 0 HB3 ASP A 120 27.458 15.558 14.530 1.00 18.06 H new ATOM 951 N VAL A 121 25.840 16.830 17.938 1.00 14.88 N ATOM 952 CA VAL A 121 24.443 17.274 18.205 1.00 15.20 C ATOM 953 C VAL A 121 24.184 18.760 17.882 1.00 16.40 C ATOM 954 O VAL A 121 23.079 19.295 18.183 1.00 13.91 O ATOM 955 CB VAL A 121 24.114 16.989 19.683 1.00 13.15 C ATOM 956 CG1 VAL A 121 24.062 15.493 19.946 1.00 14.75 C ATOM 957 CG2 VAL A 121 25.094 17.688 20.619 1.00 13.47 C ATOM 0 H VAL A 121 26.396 16.965 18.580 1.00 14.88 H new ATOM 0 HA VAL A 121 23.863 16.773 17.610 1.00 15.20 H new ATOM 0 HB VAL A 121 23.234 17.354 19.867 1.00 13.15 H new ATOM 0 HG11 VAL A 121 23.854 15.336 20.880 1.00 14.75 H new ATOM 0 HG12 VAL A 121 23.377 15.090 19.390 1.00 14.75 H new ATOM 0 HG13 VAL A 121 24.922 15.097 19.736 1.00 14.75 H new ATOM 0 HG21 VAL A 121 24.861 17.489 21.539 1.00 13.47 H new ATOM 0 HG22 VAL A 121 25.994 17.374 20.439 1.00 13.47 H new ATOM 0 HG23 VAL A 121 25.052 18.646 20.475 1.00 13.47 H new ATOM 958 N ARG A 122 25.159 19.427 17.266 1.00 17.86 N ATOM 959 CA ARG A 122 24.935 20.883 16.978 1.00 20.11 C ATOM 960 C ARG A 122 23.754 21.062 16.047 1.00 19.80 C ATOM 961 O ARG A 122 23.070 22.092 16.119 1.00 18.53 O ATOM 962 CB ARG A 122 26.215 21.551 16.540 1.00 24.48 C ATOM 963 CG ARG A 122 26.767 21.013 15.240 1.00 31.30 C ATOM 964 CD ARG A 122 28.038 21.644 14.855 1.00 36.85 C ATOM 965 NE ARG A 122 29.320 21.013 15.127 1.00 40.81 N ATOM 966 CZ ARG A 122 30.315 21.271 14.237 1.00 42.92 C ATOM 967 NH1 ARG A 122 30.119 21.995 13.126 1.00 44.66 N ATOM 968 NH2 ARG A 122 31.551 20.867 14.457 1.00 44.08 N ATOM 0 H ARG A 122 25.914 19.101 17.014 1.00 17.86 H new ATOM 0 HA ARG A 122 24.687 21.350 17.791 1.00 20.11 H new ATOM 0 HB2 ARG A 122 26.058 22.503 16.446 1.00 24.48 H new ATOM 0 HB3 ARG A 122 26.882 21.441 17.236 1.00 24.48 H new ATOM 0 HG2 ARG A 122 26.898 20.055 15.321 1.00 31.30 H new ATOM 0 HG3 ARG A 122 26.115 21.152 14.535 1.00 31.30 H new ATOM 0 HD2 ARG A 122 27.997 21.796 13.898 1.00 36.85 H new ATOM 0 HD3 ARG A 122 28.059 22.516 15.280 1.00 36.85 H new ATOM 0 HE ARG A 122 29.442 20.506 15.811 1.00 40.81 H new ATOM 0 HH11 ARG A 122 29.340 22.316 12.954 1.00 44.66 H new ATOM 0 HH12 ARG A 122 30.772 22.138 12.585 1.00 44.66 H new ATOM 0 HH21 ARG A 122 31.740 20.432 15.174 1.00 44.08 H new ATOM 0 HH22 ARG A 122 32.168 21.039 13.883 1.00 44.08 H new ATOM 969 N GLN A 123 23.454 20.069 15.224 1.00 19.77 N ATOM 970 CA GLN A 123 22.346 20.082 14.279 1.00 20.67 C ATOM 971 C GLN A 123 21.013 20.483 14.913 1.00 20.15 C ATOM 972 O GLN A 123 20.187 21.142 14.266 1.00 20.74 O ATOM 973 CB GLN A 123 22.135 18.689 13.644 1.00 23.90 C ATOM 974 CG GLN A 123 22.204 17.568 14.699 1.00 26.60 C ATOM 975 CD GLN A 123 22.292 16.250 13.959 1.00 29.82 C ATOM 976 OE1 GLN A 123 21.498 16.031 13.047 1.00 31.11 O ATOM 977 NE2 GLN A 123 23.278 15.429 14.293 1.00 30.25 N ATOM 0 H GLN A 123 23.908 19.339 15.199 1.00 19.77 H new ATOM 0 HA GLN A 123 22.598 20.742 13.614 1.00 20.67 H new ATOM 0 HB2 GLN A 123 21.274 18.663 13.199 1.00 23.90 H new ATOM 0 HB3 GLN A 123 22.810 18.537 12.964 1.00 23.90 H new ATOM 0 HG2 GLN A 123 22.976 17.688 15.274 1.00 26.60 H new ATOM 0 HG3 GLN A 123 21.419 17.587 15.269 1.00 26.60 H new ATOM 0 HE21 GLN A 123 23.806 15.632 14.941 1.00 30.25 H new ATOM 0 HE22 GLN A 123 23.390 14.694 13.862 1.00 30.25 H new ATOM 978 N TYR A 124 20.788 20.077 16.147 1.00 18.82 N ATOM 979 CA TYR A 124 19.540 20.343 16.860 1.00 18.07 C ATOM 980 C TYR A 124 19.354 21.819 17.189 1.00 18.05 C ATOM 981 O TYR A 124 18.168 22.204 17.255 1.00 17.21 O ATOM 982 CB TYR A 124 19.374 19.447 18.109 1.00 17.80 C ATOM 983 CG TYR A 124 19.457 17.978 17.722 1.00 18.77 C ATOM 984 CD1 TYR A 124 18.320 17.302 17.291 1.00 19.02 C ATOM 985 CD2 TYR A 124 20.658 17.276 17.801 1.00 18.89 C ATOM 986 CE1 TYR A 124 18.384 15.961 16.921 1.00 20.17 C ATOM 987 CE2 TYR A 124 20.738 15.926 17.443 1.00 20.32 C ATOM 988 CZ TYR A 124 19.593 15.280 16.999 1.00 20.30 C ATOM 989 OH TYR A 124 19.656 13.957 16.632 1.00 21.62 O ATOM 0 H TYR A 124 21.361 19.631 16.608 1.00 18.82 H new ATOM 0 HA TYR A 124 18.826 20.106 16.247 1.00 18.07 H new ATOM 0 HB2 TYR A 124 20.064 19.656 18.758 1.00 17.80 H new ATOM 0 HB3 TYR A 124 18.521 19.628 18.533 1.00 17.80 H new ATOM 0 HD1 TYR A 124 17.507 17.751 17.249 1.00 19.02 H new ATOM 0 HD2 TYR A 124 21.423 17.714 18.098 1.00 18.89 H new ATOM 0 HE1 TYR A 124 17.620 15.522 16.623 1.00 20.17 H new ATOM 0 HE2 TYR A 124 21.546 15.469 17.502 1.00 20.32 H new ATOM 0 HH TYR A 124 19.083 13.804 16.037 1.00 21.62 H new ATOM 990 N VAL A 125 20.403 22.585 17.378 1.00 16.50 N ATOM 991 CA VAL A 125 20.255 24.014 17.695 1.00 17.54 C ATOM 992 C VAL A 125 20.669 24.953 16.552 1.00 18.99 C ATOM 993 O VAL A 125 20.501 26.184 16.733 1.00 19.23 O ATOM 994 CB VAL A 125 20.922 24.372 19.036 1.00 15.87 C ATOM 995 CG1 VAL A 125 20.373 23.591 20.254 1.00 15.74 C ATOM 996 CG2 VAL A 125 22.436 24.226 18.981 1.00 17.57 C ATOM 0 H VAL A 125 21.217 22.311 17.330 1.00 16.50 H new ATOM 0 HA VAL A 125 19.303 24.165 17.800 1.00 17.54 H new ATOM 0 HB VAL A 125 20.691 25.304 19.170 1.00 15.87 H new ATOM 0 HG11 VAL A 125 20.841 23.871 21.056 1.00 15.74 H new ATOM 0 HG12 VAL A 125 19.425 23.771 20.354 1.00 15.74 H new ATOM 0 HG13 VAL A 125 20.508 22.640 20.117 1.00 15.74 H new ATOM 0 HG21 VAL A 125 22.815 24.460 19.842 1.00 17.57 H new ATOM 0 HG22 VAL A 125 22.665 23.308 18.766 1.00 17.57 H new ATOM 0 HG23 VAL A 125 22.794 24.816 18.299 1.00 17.57 H new ATOM 997 N GLN A 126 21.191 24.449 15.452 1.00 19.62 N ATOM 998 CA GLN A 126 21.626 25.317 14.357 1.00 21.89 C ATOM 999 C GLN A 126 20.450 26.181 13.863 1.00 21.37 C ATOM 1000 O GLN A 126 19.352 25.670 13.627 1.00 21.71 O ATOM 1001 CB GLN A 126 22.244 24.593 13.160 1.00 25.02 C ATOM 1002 CG GLN A 126 21.277 23.592 12.584 1.00 30.68 C ATOM 1003 CD GLN A 126 21.735 22.947 11.295 1.00 33.87 C ATOM 1004 OE1 GLN A 126 22.490 23.582 10.554 1.00 35.77 O ATOM 1005 NE2 GLN A 126 21.213 21.727 11.057 1.00 34.25 N ATOM 0 H GLN A 126 21.306 23.608 15.312 1.00 19.62 H new ATOM 0 HA GLN A 126 22.332 25.861 14.739 1.00 21.89 H new ATOM 0 HB2 GLN A 126 22.492 25.238 12.479 1.00 25.02 H new ATOM 0 HB3 GLN A 126 23.058 24.142 13.434 1.00 25.02 H new ATOM 0 HG2 GLN A 126 21.119 22.897 13.242 1.00 30.68 H new ATOM 0 HG3 GLN A 126 20.427 24.033 12.428 1.00 30.68 H new ATOM 0 HE21 GLN A 126 20.693 21.361 11.636 1.00 34.25 H new ATOM 0 HE22 GLN A 126 21.400 21.314 10.326 1.00 34.25 H new ATOM 1006 N GLY A 127 20.794 27.453 13.700 1.00 20.25 N ATOM 1007 CA GLY A 127 19.906 28.498 13.227 1.00 18.83 C ATOM 1008 C GLY A 127 18.841 28.921 14.182 1.00 17.81 C ATOM 1009 O GLY A 127 17.994 29.724 13.738 1.00 18.95 O ATOM 0 H GLY A 127 21.587 27.740 13.870 1.00 20.25 H new ATOM 0 HA2 GLY A 127 20.440 29.275 12.998 1.00 18.83 H new ATOM 0 HA3 GLY A 127 19.482 28.194 12.409 1.00 18.83 H new ATOM 1010 N CYS A 128 18.839 28.485 15.424 1.00 16.03 N ATOM 1011 CA CYS A 128 17.788 28.877 16.365 1.00 15.95 C ATOM 1012 C CYS A 128 18.031 30.156 17.146 1.00 16.23 C ATOM 1013 O CYS A 128 17.074 30.588 17.819 1.00 17.77 O ATOM 1014 CB CYS A 128 17.463 27.743 17.346 1.00 14.79 C ATOM 1015 SG CYS A 128 17.040 26.219 16.478 1.00 14.02 S ATOM 0 H CYS A 128 19.435 27.959 15.752 1.00 16.03 H new ATOM 0 HA CYS A 128 17.033 29.063 15.785 1.00 15.95 H new ATOM 0 HB2 CYS A 128 18.225 27.586 17.925 1.00 14.79 H new ATOM 0 HB3 CYS A 128 16.724 28.008 17.916 1.00 14.79 H new ATOM 1016 N GLY A 129 19.195 30.724 17.042 1.00 16.77 N ATOM 1017 CA GLY A 129 19.514 31.982 17.732 1.00 17.43 C ATOM 1018 C GLY A 129 19.703 31.769 19.199 1.00 19.02 C ATOM 1019 O GLY A 129 19.411 32.675 19.995 1.00 20.40 O ATOM 0 H GLY A 129 19.841 30.406 16.572 1.00 16.77 H new ATOM 0 HA2 GLY A 129 20.321 32.365 17.353 1.00 17.43 H new ATOM 0 HA3 GLY A 129 18.800 32.622 17.586 1.00 17.43 H new ATOM 1020 N VAL A 130 20.174 30.597 19.602 1.00 19.73 N ATOM 1021 CA VAL A 130 20.382 30.319 21.031 1.00 20.56 C ATOM 1022 C VAL A 130 21.877 30.147 21.342 1.00 22.83 C ATOM 1023 O VAL A 130 22.647 29.867 20.406 1.00 24.94 O ATOM 1024 CB VAL A 130 19.641 29.044 21.467 1.00 19.24 C ATOM 1025 CG1 VAL A 130 18.142 29.151 21.431 1.00 19.18 C ATOM 1026 CG2 VAL A 130 20.170 27.892 20.600 1.00 18.96 C ATOM 1027 OXT VAL A 130 22.124 30.214 22.562 1.00 26.21 O ATOM 0 H VAL A 130 20.380 29.949 19.075 1.00 19.73 H new ATOM 0 HA VAL A 130 20.029 31.078 21.521 1.00 20.56 H new ATOM 0 HB VAL A 130 19.825 28.882 22.406 1.00 19.24 H new ATOM 0 HG11 VAL A 130 17.750 28.311 21.718 1.00 19.18 H new ATOM 0 HG12 VAL A 130 17.854 29.862 22.025 1.00 19.18 H new ATOM 0 HG13 VAL A 130 17.853 29.349 20.526 1.00 19.18 H new ATOM 0 HG21 VAL A 130 19.723 27.068 20.849 1.00 18.96 H new ATOM 0 HG22 VAL A 130 19.997 28.084 19.665 1.00 18.96 H new ATOM 0 HG23 VAL A 130 21.125 27.795 20.738 1.00 18.96 H new TER 1028 VAL A 130 HETATM 1029 O HOH A 131 12.207 25.538 13.734 1.00 14.22 O HETATM 1030 O HOH A 132 10.749 20.932 14.061 1.00 21.88 O HETATM 1031 O HOH A 133 27.275 12.095 14.422 1.00 17.44 O HETATM 1032 O HOH A 134 14.920 18.002 14.713 1.00 15.57 O HETATM 1033 O HOH A 135 11.094 29.142 14.883 1.00 27.43 O HETATM 1034 O HOH A 136 10.744 26.825 15.233 1.00 26.87 O HETATM 1035 O HOH A 137 8.316 19.509 15.332 1.00 21.56 O HETATM 1036 O HOH A 138 3.809 21.791 15.363 1.00 41.43 O HETATM 1037 O HOH A 139 28.877 9.225 15.403 1.00 16.20 O HETATM 1038 O HOH A 140 21.895 12.672 17.073 1.00 28.80 O HETATM 1039 O HOH A 141 21.627 28.500 17.794 1.00 22.57 O HETATM 1040 O HOH A 142 4.420 24.580 18.101 1.00 39.12 O HETATM 1041 O HOH A 143 8.594 34.115 18.438 1.00 35.77 O HETATM 1042 O HOH A 144 9.133 31.197 18.602 1.00 24.74 O HETATM 1043 O HOH A 145 5.071 35.184 18.828 1.00 44.93 O HETATM 1044 O HOH A 146 28.336 18.434 18.877 1.00 28.55 O HETATM 1045 O HOH A 147 13.762 6.461 19.481 1.00 45.29 O HETATM 1046 O HOH A 148 5.137 11.710 20.050 1.00 35.35 O HETATM 1047 O HOH A 149 10.679 34.691 20.320 1.00 34.85 O HETATM 1048 O HOH A 150 10.598 31.344 20.432 1.00 39.00 O HETATM 1049 O HOH A 151 25.225 7.642 20.433 1.00 19.03 O HETATM 1050 O HOH A 152 16.588 4.820 20.969 1.00 21.52 O HETATM 1051 O HOH A 153 4.962 9.010 21.260 1.00 32.99 O HETATM 1052 O HOH A 154 0.570 17.410 21.384 1.00 14.08 O HETATM 1053 O HOH A 155 26.646 21.254 22.422 1.00 21.84 O HETATM 1054 O HOH A 156 24.280 23.705 22.811 1.00 12.77 O HETATM 1055 O HOH A 157 10.226 6.793 22.923 1.00 39.46 O HETATM 1056 O HOH A 158 26.325 14.417 23.064 1.00 19.12 O HETATM 1057 O HOH A 159 -0.758 25.459 23.880 1.00 36.89 O HETATM 1058 O HOH A 160 24.591 26.053 24.342 1.00 33.24 O HETATM 1059 O HOH A 161 15.675 31.957 24.670 1.00 22.36 O HETATM 1060 O HOH A 162 1.973 2.955 24.982 1.00 32.16 O HETATM 1061 O HOH A 163 4.143 25.614 25.369 1.00 28.53 O HETATM 1062 O HOH A 164 -2.793 25.114 25.467 1.00 32.33 O HETATM 1063 O HOH A 165 -0.023 18.763 26.000 1.00 21.45 O HETATM 1064 O HOH A 166 9.648 6.080 26.282 1.00 33.49 O HETATM 1065 O HOH A 167 15.120 6.391 26.917 1.00 16.90 O HETATM 1066 O HOH A 168 27.080 18.690 27.424 1.00 10.97 O HETATM 1067 O HOH A 169 6.296 26.254 27.697 1.00 16.16 O HETATM 1068 O HOH A 170 9.989 29.869 28.147 1.00 35.72 O HETATM 1069 O HOH A 171 25.196 1.726 28.179 1.00 23.60 O HETATM 1070 O HOH A 172 -0.663 4.968 28.331 1.00 40.75 O HETATM 1071 O HOH A 173 8.793 -3.046 28.553 1.00 33.98 O HETATM 1072 O HOH A 174 7.441 28.838 28.571 1.00 31.61 O HETATM 1073 O HOH A 175 6.044 17.234 28.614 1.00 12.06 O HETATM 1074 O HOH A 176 12.363 7.295 28.729 1.00 31.55 O HETATM 1075 O HOH A 177 -1.133 23.585 29.352 1.00 12.99 O HETATM 1076 O HOH A 178 4.699 19.395 29.404 1.00 14.02 O HETATM 1077 O HOH A 179 19.553 28.111 29.561 1.00 15.89 O HETATM 1078 O HOH A 180 15.668 5.107 29.947 1.00 23.12 O HETATM 1079 O HOH A 181 8.310 14.945 29.984 1.00 12.23 O HETATM 1080 O HOH A 182 -0.326 4.065 30.742 1.00 23.70 O HETATM 1081 O HOH A 183 26.357 5.057 30.898 1.00 48.74 O HETATM 1082 O HOH A 184 12.087 5.721 31.169 1.00 48.02 O HETATM 1083 O HOH A 185 4.973 32.207 31.325 1.00 27.21 O HETATM 1084 O HOH A 186 -2.306 17.290 31.666 1.00 17.79 O HETATM 1085 O HOH A 187 -1.712 23.643 31.672 1.00 30.80 O HETATM 1086 O HOH A 188 -1.264 6.718 31.814 1.00 21.16 O HETATM 1087 O HOH A 189 6.619 29.497 32.033 1.00 22.24 O HETATM 1088 O HOH A 190 4.930 20.385 32.043 1.00 11.38 O HETATM 1089 O HOH A 191 2.052 -4.860 32.135 1.00 30.63 O HETATM 1090 O HOH A 192 15.361 8.562 32.615 1.00 30.13 O HETATM 1091 O HOH A 193 12.581 8.843 32.697 1.00 25.30 O HETATM 1092 O HOH A 194 4.242 23.214 33.442 1.00 20.01 O HETATM 1093 O HOH A 195 20.142 3.870 33.551 1.00 54.93 O HETATM 1094 O HOH A 196 5.033 28.246 34.641 1.00 36.12 O HETATM 1095 O HOH A 197 1.932 3.469 34.699 1.00 13.08 O HETATM 1096 O HOH A 198 24.640 15.794 34.791 1.00 18.31 O HETATM 1097 O HOH A 199 10.972 1.836 34.798 1.00 26.05 O HETATM 1098 O HOH A 200 -2.160 18.739 35.214 1.00 21.94 O HETATM 1099 O HOH A 201 10.426 25.224 35.281 1.00 26.78 O HETATM 1100 O HOH A 202 20.237 10.630 36.410 1.00 21.74 O HETATM 1101 O HOH A 203 13.162 24.826 36.493 1.00 20.16 O HETATM 1102 O HOH A 204 18.644 8.164 37.043 1.00 37.97 O HETATM 1103 O HOH A 205 23.641 23.481 37.125 1.00 21.33 O HETATM 1104 O HOH A 206 26.027 22.913 37.527 1.00 53.55 O HETATM 1105 O HOH A 207 24.664 15.043 37.629 1.00 23.83 O HETATM 1106 O HOH A 208 -0.965 -1.542 37.794 1.00 37.93 O HETATM 1107 O HOH A 209 21.751 7.788 38.721 1.00 36.09 O HETATM 1108 O HOH A 210 16.167 5.777 38.731 1.00 48.45 O HETATM 1109 O HOH A 211 13.372 23.366 39.376 1.00 38.93 O HETATM 1110 O HOH A 212 13.849 20.546 39.660 1.00 24.39 O HETATM 1111 O HOH A 213 1.487 -5.339 39.866 1.00 26.87 O HETATM 1112 O HOH A 214 3.578 6.331 39.983 1.00 15.17 O HETATM 1113 O HOH A 215 1.223 18.156 40.145 1.00 3.51 O HETATM 1114 O HOH A 216 10.096 18.745 40.222 1.00 34.61 O HETATM 1115 O HOH A 217 6.002 7.280 40.736 1.00 18.97 O HETATM 1116 O HOH A 218 2.824 20.642 41.525 1.00 37.73 O HETATM 1117 O HOH A 219 2.315 4.602 41.622 1.00 16.76 O HETATM 1118 O HOH A 220 12.167 -0.389 41.751 1.00 41.16 O HETATM 1119 O HOH A 221 0.251 0.827 42.414 1.00 43.46 O HETATM 1120 O HOH A 222 11.502 3.396 42.499 1.00 45.74 O HETATM 1121 O HOH A 223 0.140 13.033 42.620 1.00 4.64 O HETATM 1122 O HOH A 224 4.788 7.427 42.758 1.00 20.00 O HETATM 1123 O HOH A 225 0.339 17.539 43.162 1.00 20.39 O HETATM 1124 O HOH A 226 2.782 15.058 43.604 1.00 33.92 O HETATM 1125 O HOH A 227 1.657 5.615 43.894 1.00 36.91 O HETATM 1126 O HOH A 228 4.400 8.002 45.153 1.00 50.57 O HETATM 1127 O HOH A 229 3.551 10.751 45.688 1.00 29.53 O HETATM 1128 O HOH A 230 8.541 8.958 46.389 1.00 53.24 O HETATM 1129 O HOH A 231 12.547 18.819 47.036 1.00 31.95 O CONECT 53 1015 CONECT 243 914 CONECT 534 641 CONECT 641 534 CONECT 914 243 CONECT 1015 53 END