USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE (O-GLYCOSYL) 02-OCT-91 2LHM TITLE CRYSTAL STRUCTURES OF THE APO-AND HOLOMUTANT HUMAN TITLE 2 LYSOZYMES WITH AN INTRODUCED CA2+ BINDING SITE 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 2 24-FEB-09 2LHM 1 VERSN REVDAT 1 15-APR-92 2LHM 0 JRNL AUTH K.INAKA,R.KUROKI,M.KIKUCHI,M.MATSUSHIMA JRNL TITL CRYSTAL STRUCTURES OF THE APO- AND HOLOMUTANT JRNL TITL 2 HUMAN LYSOZYMES WITH AN INTRODUCED CA2+ BINDING JRNL TITL 3 SITE. JRNL REF J.BIOL.CHEM. V. 266 20666 1991 JRNL REFN ISSN 0021-9258 JRNL PMID 1939116 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.KUROKI,Y.TANIYAMA,C.SEKO,H.NAKAMURA,M.KIKUCHI, REMARK 1 AUTH 2 M.IKEHARA REMARK 1 TITL DESIGN AND CREATION OF A CA2+ BINDING SITE IN REMARK 1 TITL 2 HUMAN LYSOZYME TO ENHANCE STRUCTURAL STABILITY REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 86 6903 1989 REMARK 1 REFN ISSN 0027-8424 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 : 1031 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 142 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 2LHM 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 (%): 37.93 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 28.53000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.90500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.31000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.90500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.53000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.31000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 O HOH A 199 O HOH A 209 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 NH1 ARG A 107 O HOH A 223 4557 1.95 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 7.3 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -7.0 DEGREES REMARK 500 ARG A 50 CD - NE - CZ ANGL. DEV. = 19.1 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 8.6 DEGREES REMARK 500 ARG A 50 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 ARG A 62 NE - CZ - NH1 ANGL. DEV. = -3.5 DEGREES REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -3.8 DEGREES REMARK 500 ARG A 119 CA - CB - CG ANGL. DEV. = 13.4 DEGREES REMARK 500 ARG A 119 CD - NE - CZ ANGL. DEV. = 13.8 DEGREES REMARK 500 ARG A 119 NE - CZ - NH1 ANGL. DEV. = 4.9 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 133 DISTANCE = 7.34 ANGSTROMS REMARK 525 HOH A 205 DISTANCE = 8.24 ANGSTROMS REMARK 525 HOH A 207 DISTANCE = 8.10 ANGSTROMS REMARK 525 HOH A 236 DISTANCE = 6.13 ANGSTROMS REMARK 525 HOH A 242 DISTANCE = 8.67 ANGSTROMS REMARK 525 HOH A 251 DISTANCE = 6.14 ANGSTROMS REMARK 525 HOH A 269 DISTANCE = 5.09 ANGSTROMS DBREF 2LHM A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 2LHM ASP A 86 UNP P61626 GLN 104 CONFLICT SEQADV 2LHM ASP A 92 UNP P61626 ALA 110 CONFLICT SEQRES 1 A 130 LYS VAL PHE GLU ARG CYS GLU LEU ALA ARG THR LEU LYS SEQRES 2 A 130 ARG LEU GLY MET ASP GLY TYR ARG GLY ILE SER LEU ALA SEQRES 3 A 130 ASN TRP MET CYS LEU ALA LYS TRP GLU SER GLY TYR ASN SEQRES 4 A 130 THR ARG ALA THR ASN TYR ASN ALA GLY ASP ARG SER THR SEQRES 5 A 130 ASP TYR GLY ILE PHE GLN ILE ASN SER ARG TYR TRP CYS SEQRES 6 A 130 ASN ASP GLY LYS THR PRO GLY ALA VAL ASN ALA CYS HIS SEQRES 7 A 130 LEU SER CYS SER ALA LEU LEU ASP ASP ASN ILE ALA ASP SEQRES 8 A 130 ASP VAL ALA CYS ALA LYS ARG VAL VAL ARG ASP PRO GLN SEQRES 9 A 130 GLY ILE ARG ALA TRP VAL ALA TRP ARG ASN ARG CYS GLN SEQRES 10 A 130 ASN ARG ASP VAL ARG GLN TYR VAL GLN GLY CYS GLY VAL FORMUL 2 HOH *142(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 2.03 SSBOND *** CYS A 77 CYS A 95 1555 1555 2.00 CRYST1 57.060 60.620 33.810 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 0.017525 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016496 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029577 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 145:sc= 1.4 USER MOD Set 1.2: A 70 THR OG1 : rot 94:sc= 2.86 USER MOD Set 2.1: A 44 ASN :FLIP amide:sc= -0.808! C(o=0.37!,f=2.3!) USER MOD Set 2.2: A 46 ASN :FLIP amide:sc= -0.626! X(o=1.8,f=2.3!) USER MOD Set 2.3: A 51 SER OG : rot -70:sc= 1.47 USER MOD Set 2.4: A 60 ASN : amide:sc= 2.26 K(o=2.3,f=-3.7!) USER MOD Set 3.1: A 29 MET CE :methyl -173:sc= -0.844 (180deg=-1.03) USER MOD Set 3.2: A 38 TYR OH : rot 15:sc= 1.07 USER MOD Set 4.1: A 24 SER OG : rot 160:sc= 0.672 USER MOD Set 4.2: A 27 ASN : amide:sc= 1.14 K(o=1.8,f=-0.082!) USER MOD Set 5.1: A 1 LYS N :NH3+ 174:sc= 2.55 (180deg=1.43) USER MOD Set 5.2: A 40 THR OG1 : rot 91:sc= 1.42 USER MOD Single : A 1 LYS NZ :NH3+ -153:sc= 2.43 (180deg=1.12) USER MOD Single : A 11 THR OG1 : rot 75:sc= 1.9 USER MOD Single : A 13 LYS NZ :NH3+ -164:sc= -0.0246 (180deg=-0.428) USER MOD Single : A 17 MET CE :methyl 158:sc= -0.119 (180deg=-1.23) USER MOD Single : A 20 TYR OH : rot -37:sc= 0.337 USER MOD Single : A 33 LYS NZ :NH3+ 130:sc= -0.146 (180deg=-0.68) USER MOD Single : A 36 SER OG : rot -106:sc= 1.06 USER MOD Single : A 39 ASN : amide:sc= 1.07 K(o=1.1,f=-3.4!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 1.23 USER MOD Single : A 52 THR OG1 : rot 99:sc= 2.37 USER MOD Single : A 54 TYR OH : rot 0:sc= 1.57 USER MOD Single : A 58 GLN : amide:sc= 2.1 K(o=2.1,f=-0.37) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.19 K(o=1.2,f=-2.5!) USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= 0.6 (180deg=0.384) USER MOD Single : A 75 ASN : amide:sc= -0.208 K(o=-0.21,f=-5.2!) USER MOD Single : A 78 HIS : no HE2:sc= 1.2 K(o=1.2,f=-3.9!) USER MOD Single : A 80 SER OG : rot 176:sc= -0.547 USER MOD Single : A 82 SER OG : rot -132:sc= 1.41 USER MOD Single : A 88 ASN : amide:sc= 1.04 K(o=1,f=-1.6) USER MOD Single : A 97 LYS NZ :NH3+ -158:sc= 2.16 (180deg=1.79) USER MOD Single : A 104 GLN : amide:sc= -0.0136 X(o=-0.014,f=0) USER MOD Single : A 114 ASN : amide:sc= -0.0284 K(o=-0.028,f=-1.9!) USER MOD Single : A 117 GLN :FLIP amide:sc=-0.00569 F(o=-1.3!,f=-0.0057) USER MOD Single : A 118 ASN : amide:sc= -0.892 X(o=-0.89,f=-1.1) USER MOD Single : A 123 GLN : amide:sc= 0.444 X(o=0.44,f=0.63) USER MOD Single : A 124 TYR OH : rot 30:sc= 1.21 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.926 19.610 22.795 1.00 11.75 N ATOM 2 CA LYS A 1 1.493 20.418 21.693 1.00 11.93 C ATOM 3 C LYS A 1 2.745 19.800 21.081 1.00 11.92 C ATOM 4 O LYS A 1 3.531 19.177 21.815 1.00 11.95 O ATOM 5 CB LYS A 1 1.918 21.758 22.342 1.00 14.13 C ATOM 6 CG LYS A 1 2.861 22.639 21.516 1.00 15.28 C ATOM 7 CD LYS A 1 3.245 23.856 22.347 1.00 16.80 C ATOM 8 CE LYS A 1 3.990 24.878 21.509 1.00 17.17 C ATOM 9 NZ LYS A 1 4.783 25.738 22.417 1.00 20.13 N ATOM 0 H1 LYS A 1 0.253 20.054 23.173 1.00 11.75 H new ATOM 0 H2 LYS A 1 0.627 18.836 22.473 1.00 11.75 H new ATOM 0 H3 LYS A 1 1.556 19.453 23.403 1.00 11.75 H new ATOM 0 HA LYS A 1 0.833 20.498 20.987 1.00 11.93 H new ATOM 0 HB2 LYS A 1 1.117 22.269 22.539 1.00 14.13 H new ATOM 0 HB3 LYS A 1 2.347 21.564 23.190 1.00 14.13 H new ATOM 0 HG2 LYS A 1 3.654 22.140 21.265 1.00 15.28 H new ATOM 0 HG3 LYS A 1 2.428 22.916 20.694 1.00 15.28 H new ATOM 0 HD2 LYS A 1 2.447 24.261 22.721 1.00 16.80 H new ATOM 0 HD3 LYS A 1 3.799 23.580 23.093 1.00 16.80 H new ATOM 0 HE2 LYS A 1 4.571 24.433 20.872 1.00 17.17 H new ATOM 0 HE3 LYS A 1 3.365 25.414 20.996 1.00 17.17 H new ATOM 0 HZ1 LYS A 1 4.901 26.536 22.042 1.00 20.13 H new ATOM 0 HZ2 LYS A 1 4.350 25.834 23.189 1.00 20.13 H new ATOM 0 HZ3 LYS A 1 5.575 25.361 22.567 1.00 20.13 H new ATOM 10 N VAL A 2 2.927 19.986 19.779 1.00 9.73 N ATOM 11 CA VAL A 2 4.144 19.482 19.121 1.00 9.20 C ATOM 12 C VAL A 2 4.991 20.721 18.802 1.00 9.40 C ATOM 13 O VAL A 2 4.580 21.483 17.934 1.00 8.68 O ATOM 14 CB VAL A 2 3.872 18.644 17.861 1.00 8.92 C ATOM 15 CG1 VAL A 2 5.193 18.182 17.224 1.00 8.09 C ATOM 16 CG2 VAL A 2 2.936 17.499 18.166 1.00 6.57 C ATOM 0 H VAL A 2 2.374 20.392 19.261 1.00 9.73 H new ATOM 0 HA VAL A 2 4.604 18.866 19.712 1.00 9.20 H new ATOM 0 HB VAL A 2 3.422 19.199 17.205 1.00 8.92 H new ATOM 0 HG11 VAL A 2 5.004 17.655 16.432 1.00 8.09 H new ATOM 0 HG12 VAL A 2 5.722 18.957 16.978 1.00 8.09 H new ATOM 0 HG13 VAL A 2 5.688 17.642 17.860 1.00 8.09 H new ATOM 0 HG21 VAL A 2 2.779 16.985 17.358 1.00 6.57 H new ATOM 0 HG22 VAL A 2 3.334 16.927 18.841 1.00 6.57 H new ATOM 0 HG23 VAL A 2 2.093 17.849 18.495 1.00 6.57 H new ATOM 17 N PHE A 3 6.093 20.862 19.494 1.00 9.51 N ATOM 18 CA PHE A 3 6.996 22.013 19.283 1.00 8.97 C ATOM 19 C PHE A 3 7.748 21.933 17.964 1.00 9.46 C ATOM 20 O PHE A 3 8.070 20.823 17.526 1.00 10.07 O ATOM 21 CB PHE A 3 8.076 22.053 20.360 1.00 7.81 C ATOM 22 CG PHE A 3 7.705 22.718 21.633 1.00 9.59 C ATOM 23 CD1 PHE A 3 6.969 22.074 22.606 1.00 8.96 C ATOM 24 CD2 PHE A 3 8.114 24.055 21.843 1.00 8.64 C ATOM 25 CE1 PHE A 3 6.641 22.730 23.788 1.00 10.92 C ATOM 26 CE2 PHE A 3 7.786 24.715 23.009 1.00 10.21 C ATOM 27 CZ PHE A 3 7.065 24.052 23.993 1.00 10.30 C ATOM 0 H PHE A 3 6.355 20.310 20.099 1.00 9.51 H new ATOM 0 HA PHE A 3 6.422 22.795 19.301 1.00 8.97 H new ATOM 0 HB2 PHE A 3 8.343 21.142 20.558 1.00 7.81 H new ATOM 0 HB3 PHE A 3 8.854 22.504 19.996 1.00 7.81 H new ATOM 0 HD1 PHE A 3 6.691 21.197 22.471 1.00 8.96 H new ATOM 0 HD2 PHE A 3 8.609 24.494 21.189 1.00 8.64 H new ATOM 0 HE1 PHE A 3 6.142 22.294 24.441 1.00 10.92 H new ATOM 0 HE2 PHE A 3 8.046 25.599 23.135 1.00 10.21 H new ATOM 0 HZ PHE A 3 6.862 24.485 24.791 1.00 10.30 H new ATOM 28 N GLU A 4 8.065 23.094 17.406 1.00 9.80 N ATOM 29 CA GLU A 4 8.900 23.095 16.179 1.00 10.81 C ATOM 30 C GLU A 4 10.296 23.128 16.807 1.00 10.48 C ATOM 31 O GLU A 4 10.357 23.623 17.980 1.00 10.13 O ATOM 32 CB GLU A 4 8.707 24.267 15.247 1.00 16.82 C ATOM 33 CG GLU A 4 7.283 24.662 14.874 1.00 22.74 C ATOM 34 CD GLU A 4 6.808 24.368 13.503 1.00 26.60 C ATOM 35 OE1 GLU A 4 6.637 23.263 12.986 1.00 30.97 O ATOM 36 OE2 GLU A 4 6.585 25.422 12.862 1.00 28.82 O ATOM 0 H GLU A 4 7.826 23.868 17.696 1.00 9.80 H new ATOM 0 HA GLU A 4 8.692 22.347 15.598 1.00 10.81 H new ATOM 0 HB2 GLU A 4 9.133 25.040 15.650 1.00 16.82 H new ATOM 0 HB3 GLU A 4 9.186 24.075 14.426 1.00 16.82 H new ATOM 0 HG2 GLU A 4 6.682 24.223 15.496 1.00 22.74 H new ATOM 0 HG3 GLU A 4 7.193 25.617 15.020 1.00 22.74 H new ATOM 37 N ARG A 5 11.293 22.602 16.146 1.00 9.62 N ATOM 38 CA ARG A 5 12.665 22.534 16.667 1.00 8.33 C ATOM 39 C ARG A 5 13.249 23.801 17.269 1.00 8.50 C ATOM 40 O ARG A 5 13.684 23.786 18.453 1.00 5.83 O ATOM 41 CB ARG A 5 13.604 22.009 15.573 1.00 8.44 C ATOM 42 CG ARG A 5 15.055 21.895 15.963 1.00 8.19 C ATOM 43 CD ARG A 5 15.933 21.409 14.900 1.00 10.11 C ATOM 44 NE ARG A 5 16.035 22.235 13.706 1.00 10.75 N ATOM 45 CZ ARG A 5 16.957 23.193 13.536 1.00 11.25 C ATOM 46 NH1 ARG A 5 17.909 23.411 14.431 1.00 10.66 N ATOM 47 NH2 ARG A 5 17.004 23.928 12.419 1.00 12.00 N ATOM 0 H ARG A 5 11.207 22.261 15.361 1.00 9.62 H new ATOM 0 HA ARG A 5 12.595 21.929 17.422 1.00 8.33 H new ATOM 0 HB2 ARG A 5 13.291 21.135 15.292 1.00 8.44 H new ATOM 0 HB3 ARG A 5 13.537 22.595 14.803 1.00 8.44 H new ATOM 0 HG2 ARG A 5 15.369 22.765 16.254 1.00 8.19 H new ATOM 0 HG3 ARG A 5 15.127 21.299 16.725 1.00 8.19 H new ATOM 0 HD2 ARG A 5 16.823 21.300 15.269 1.00 10.11 H new ATOM 0 HD3 ARG A 5 15.626 20.528 14.633 1.00 10.11 H new ATOM 0 HE ARG A 5 15.470 22.100 13.072 1.00 10.75 H new ATOM 0 HH11 ARG A 5 17.947 22.932 15.144 1.00 10.66 H new ATOM 0 HH12 ARG A 5 18.489 24.032 14.299 1.00 10.66 H new ATOM 0 HH21 ARG A 5 16.434 23.791 11.790 1.00 12.00 H new ATOM 0 HH22 ARG A 5 17.604 24.538 12.330 1.00 12.00 H new ATOM 48 N CYS A 6 13.298 24.887 16.515 1.00 8.25 N ATOM 49 CA CYS A 6 13.878 26.163 17.019 1.00 8.52 C ATOM 50 C CYS A 6 13.036 26.772 18.112 1.00 9.82 C ATOM 51 O CYS A 6 13.594 27.404 19.063 1.00 10.50 O ATOM 52 CB CYS A 6 14.209 27.060 15.829 1.00 10.71 C ATOM 53 SG CYS A 6 15.631 26.377 14.894 1.00 11.05 S ATOM 0 H CYS A 6 13.006 24.924 15.707 1.00 8.25 H new ATOM 0 HA CYS A 6 14.721 26.008 17.473 1.00 8.52 H new ATOM 0 HB2 CYS A 6 13.437 27.134 15.247 1.00 10.71 H new ATOM 0 HB3 CYS A 6 14.417 27.955 16.139 1.00 10.71 H new ATOM 54 N GLU A 7 11.741 26.596 18.040 1.00 9.08 N ATOM 55 CA GLU A 7 10.822 27.096 19.066 1.00 8.25 C ATOM 56 C GLU A 7 11.133 26.446 20.395 1.00 8.15 C ATOM 57 O GLU A 7 11.143 27.105 21.472 1.00 7.22 O ATOM 58 CB GLU A 7 9.383 26.866 18.653 1.00 11.82 C ATOM 59 CG GLU A 7 8.312 27.174 19.697 1.00 15.20 C ATOM 60 CD GLU A 7 6.963 26.561 19.467 1.00 17.33 C ATOM 61 OE1 GLU A 7 6.712 25.630 18.701 1.00 17.36 O ATOM 62 OE2 GLU A 7 6.131 27.159 20.207 1.00 19.22 O ATOM 0 H GLU A 7 11.353 26.181 17.394 1.00 9.08 H new ATOM 0 HA GLU A 7 10.944 28.053 19.163 1.00 8.25 H new ATOM 0 HB2 GLU A 7 9.204 27.405 17.867 1.00 11.82 H new ATOM 0 HB3 GLU A 7 9.289 25.938 18.387 1.00 11.82 H new ATOM 0 HG2 GLU A 7 8.637 26.879 20.562 1.00 15.20 H new ATOM 0 HG3 GLU A 7 8.204 28.137 19.748 1.00 15.20 H new ATOM 63 N LEU A 8 11.398 25.113 20.365 1.00 5.97 N ATOM 64 CA LEU A 8 11.716 24.437 21.657 1.00 5.55 C ATOM 65 C LEU A 8 13.085 24.891 22.139 1.00 4.60 C ATOM 66 O LEU A 8 13.286 25.078 23.343 1.00 5.36 O ATOM 67 CB LEU A 8 11.617 22.917 21.468 1.00 5.61 C ATOM 68 CG LEU A 8 12.037 22.069 22.652 1.00 4.67 C ATOM 69 CD1 LEU A 8 11.056 22.224 23.817 1.00 2.91 C ATOM 70 CD2 LEU A 8 12.065 20.608 22.221 1.00 5.02 C ATOM 0 H LEU A 8 11.400 24.614 19.664 1.00 5.97 H new ATOM 0 HA LEU A 8 11.078 24.682 22.345 1.00 5.55 H new ATOM 0 HB2 LEU A 8 10.699 22.696 21.245 1.00 5.61 H new ATOM 0 HB3 LEU A 8 12.162 22.668 20.705 1.00 5.61 H new ATOM 0 HG LEU A 8 12.914 22.360 22.947 1.00 4.67 H new ATOM 0 HD11 LEU A 8 11.346 21.673 24.560 1.00 2.91 H new ATOM 0 HD12 LEU A 8 11.028 23.153 24.095 1.00 2.91 H new ATOM 0 HD13 LEU A 8 10.171 21.945 23.534 1.00 2.91 H new ATOM 0 HD21 LEU A 8 12.333 20.054 22.971 1.00 5.02 H new ATOM 0 HD22 LEU A 8 11.181 20.342 21.922 1.00 5.02 H new ATOM 0 HD23 LEU A 8 12.699 20.497 21.495 1.00 5.02 H new ATOM 71 N ALA A 9 14.007 25.002 21.214 1.00 5.13 N ATOM 72 CA ALA A 9 15.389 25.404 21.521 1.00 4.90 C ATOM 73 C ALA A 9 15.407 26.697 22.341 1.00 6.14 C ATOM 74 O ALA A 9 16.057 26.772 23.382 1.00 3.69 O ATOM 75 CB ALA A 9 16.226 25.483 20.252 1.00 5.81 C ATOM 0 H ALA A 9 13.864 24.849 20.380 1.00 5.13 H new ATOM 0 HA ALA A 9 15.802 24.723 22.075 1.00 4.90 H new ATOM 0 HB1 ALA A 9 17.131 25.749 20.477 1.00 5.81 H new ATOM 0 HB2 ALA A 9 16.243 24.614 19.820 1.00 5.81 H new ATOM 0 HB3 ALA A 9 15.838 26.136 19.649 1.00 5.81 H new ATOM 76 N ARG A 10 14.644 27.677 21.806 1.00 7.23 N ATOM 77 CA ARG A 10 14.608 29.001 22.484 1.00 5.66 C ATOM 78 C ARG A 10 13.924 28.891 23.821 1.00 6.68 C ATOM 79 O ARG A 10 14.333 29.553 24.799 1.00 6.58 O ATOM 80 CB ARG A 10 13.947 30.000 21.505 1.00 7.00 C ATOM 81 CG ARG A 10 14.919 30.418 20.402 1.00 5.76 C ATOM 82 CD ARG A 10 14.390 31.399 19.442 1.00 8.32 C ATOM 83 NE ARG A 10 13.092 31.105 18.866 1.00 7.85 N ATOM 84 CZ ARG A 10 12.893 30.666 17.624 1.00 6.01 C ATOM 85 NH1 ARG A 10 13.914 30.488 16.826 1.00 6.42 N ATOM 86 NH2 ARG A 10 11.677 30.424 17.124 1.00 9.18 N ATOM 0 H ARG A 10 14.166 27.606 21.094 1.00 7.23 H new ATOM 0 HA ARG A 10 15.497 29.330 22.692 1.00 5.66 H new ATOM 0 HB2 ARG A 10 13.159 29.596 21.109 1.00 7.00 H new ATOM 0 HB3 ARG A 10 13.649 30.785 21.992 1.00 7.00 H new ATOM 0 HG2 ARG A 10 15.715 30.787 20.815 1.00 5.76 H new ATOM 0 HG3 ARG A 10 15.194 29.625 19.915 1.00 5.76 H new ATOM 0 HD2 ARG A 10 14.337 32.260 19.886 1.00 8.32 H new ATOM 0 HD3 ARG A 10 15.029 31.491 18.718 1.00 8.32 H new ATOM 0 HE ARG A 10 12.400 31.223 19.363 1.00 7.85 H new ATOM 0 HH11 ARG A 10 14.711 30.654 17.104 1.00 6.42 H new ATOM 0 HH12 ARG A 10 13.788 30.205 16.024 1.00 6.42 H new ATOM 0 HH21 ARG A 10 10.979 30.551 17.610 1.00 9.18 H new ATOM 0 HH22 ARG A 10 11.593 30.141 16.316 1.00 9.18 H new ATOM 87 N THR A 11 12.900 28.032 23.901 1.00 5.68 N ATOM 88 CA THR A 11 12.182 27.840 25.168 1.00 6.56 C ATOM 89 C THR A 11 13.073 27.232 26.251 1.00 6.52 C ATOM 90 O THR A 11 13.061 27.711 27.391 1.00 7.04 O ATOM 91 CB THR A 11 10.849 26.980 25.005 1.00 7.84 C ATOM 92 OG1 THR A 11 10.078 27.626 23.963 1.00 10.53 O ATOM 93 CG2 THR A 11 10.117 26.820 26.337 1.00 8.37 C ATOM 0 H THR A 11 12.609 27.558 23.245 1.00 5.68 H new ATOM 0 HA THR A 11 11.922 28.731 25.451 1.00 6.56 H new ATOM 0 HB THR A 11 11.031 26.065 24.741 1.00 7.84 H new ATOM 0 HG1 THR A 11 10.420 27.456 23.215 1.00 10.53 H new ATOM 0 HG21 THR A 11 9.313 26.294 26.204 1.00 8.37 H new ATOM 0 HG22 THR A 11 10.696 26.370 26.972 1.00 8.37 H new ATOM 0 HG23 THR A 11 9.877 27.694 26.682 1.00 8.37 H new ATOM 94 N LEU A 12 13.795 26.158 25.949 1.00 6.51 N ATOM 95 CA LEU A 12 14.687 25.506 26.930 1.00 6.48 C ATOM 96 C LEU A 12 15.790 26.464 27.376 1.00 6.08 C ATOM 97 O LEU A 12 16.199 26.463 28.550 1.00 6.88 O ATOM 98 CB LEU A 12 15.194 24.183 26.347 1.00 6.79 C ATOM 99 CG LEU A 12 14.201 23.089 25.985 1.00 7.23 C ATOM 100 CD1 LEU A 12 14.883 21.902 25.270 1.00 7.51 C ATOM 101 CD2 LEU A 12 13.466 22.607 27.223 1.00 7.84 C ATOM 0 H LEU A 12 13.788 25.781 25.176 1.00 6.51 H new ATOM 0 HA LEU A 12 14.203 25.285 27.741 1.00 6.48 H new ATOM 0 HB2 LEU A 12 15.698 24.394 25.545 1.00 6.79 H new ATOM 0 HB3 LEU A 12 15.820 23.806 26.985 1.00 6.79 H new ATOM 0 HG LEU A 12 13.561 23.474 25.366 1.00 7.23 H new ATOM 0 HD11 LEU A 12 14.219 21.228 25.056 1.00 7.51 H new ATOM 0 HD12 LEU A 12 15.301 22.214 24.452 1.00 7.51 H new ATOM 0 HD13 LEU A 12 15.558 21.518 25.852 1.00 7.51 H new ATOM 0 HD21 LEU A 12 12.838 21.911 26.976 1.00 7.84 H new ATOM 0 HD22 LEU A 12 14.105 22.254 27.862 1.00 7.84 H new ATOM 0 HD23 LEU A 12 12.985 23.348 27.623 1.00 7.84 H new ATOM 102 N LYS A 13 16.283 27.297 26.461 1.00 8.16 N ATOM 103 CA LYS A 13 17.342 28.264 26.848 1.00 7.49 C ATOM 104 C LYS A 13 16.829 29.190 27.962 1.00 8.39 C ATOM 105 O LYS A 13 17.426 29.388 28.996 1.00 7.70 O ATOM 106 CB LYS A 13 17.793 29.223 25.739 1.00 11.19 C ATOM 107 CG LYS A 13 19.234 29.691 26.049 1.00 12.60 C ATOM 108 CD LYS A 13 19.818 30.616 25.043 1.00 15.90 C ATOM 109 CE LYS A 13 21.325 30.760 25.149 1.00 17.62 C ATOM 110 NZ LYS A 13 21.772 30.642 26.578 1.00 21.23 N ATOM 0 H LYS A 13 16.037 27.329 25.638 1.00 8.16 H new ATOM 0 HA LYS A 13 18.085 27.695 27.103 1.00 7.49 H new ATOM 0 HB2 LYS A 13 17.761 28.780 24.877 1.00 11.19 H new ATOM 0 HB3 LYS A 13 17.195 29.985 25.689 1.00 11.19 H new ATOM 0 HG2 LYS A 13 19.239 30.129 26.914 1.00 12.60 H new ATOM 0 HG3 LYS A 13 19.805 28.911 26.123 1.00 12.60 H new ATOM 0 HD2 LYS A 13 19.593 30.298 24.154 1.00 15.90 H new ATOM 0 HD3 LYS A 13 19.410 31.490 25.144 1.00 15.90 H new ATOM 0 HE2 LYS A 13 21.758 30.077 24.613 1.00 17.62 H new ATOM 0 HE3 LYS A 13 21.598 31.619 24.790 1.00 17.62 H new ATOM 0 HZ1 LYS A 13 22.602 30.953 26.656 1.00 21.23 H new ATOM 0 HZ2 LYS A 13 21.228 31.115 27.100 1.00 21.23 H new ATOM 0 HZ3 LYS A 13 21.751 29.788 26.826 1.00 21.23 H new ATOM 111 N ARG A 14 15.675 29.764 27.688 1.00 8.83 N ATOM 112 CA ARG A 14 15.004 30.709 28.610 1.00 9.73 C ATOM 113 C ARG A 14 14.757 30.093 29.968 1.00 9.85 C ATOM 114 O ARG A 14 14.800 30.815 30.969 1.00 8.35 O ATOM 115 CB ARG A 14 13.782 31.197 27.868 1.00 11.34 C ATOM 116 CG ARG A 14 12.753 31.991 28.646 1.00 16.93 C ATOM 117 CD ARG A 14 12.108 32.938 27.688 1.00 19.64 C ATOM 118 NE ARG A 14 12.029 32.454 26.322 1.00 22.07 N ATOM 119 CZ ARG A 14 11.142 31.701 25.705 1.00 22.05 C ATOM 120 NH1 ARG A 14 10.080 31.105 26.231 1.00 22.58 N ATOM 121 NH2 ARG A 14 11.314 31.662 24.366 1.00 23.35 N ATOM 0 H ARG A 14 15.241 29.625 26.958 1.00 8.83 H new ATOM 0 HA ARG A 14 15.554 31.475 28.838 1.00 9.73 H new ATOM 0 HB2 ARG A 14 14.083 31.745 27.126 1.00 11.34 H new ATOM 0 HB3 ARG A 14 13.336 30.424 27.487 1.00 11.34 H new ATOM 0 HG2 ARG A 14 12.092 31.401 29.041 1.00 16.93 H new ATOM 0 HG3 ARG A 14 13.173 32.474 29.375 1.00 16.93 H new ATOM 0 HD2 ARG A 14 11.211 33.136 28.001 1.00 19.64 H new ATOM 0 HD3 ARG A 14 12.602 33.773 27.695 1.00 19.64 H new ATOM 0 HE ARG A 14 12.683 32.706 25.823 1.00 22.07 H new ATOM 0 HH11 ARG A 14 9.910 31.192 27.069 1.00 22.58 H new ATOM 0 HH12 ARG A 14 9.562 30.632 25.734 1.00 22.58 H new ATOM 0 HH21 ARG A 14 11.956 32.104 24.002 1.00 23.35 H new ATOM 0 HH22 ARG A 14 10.782 31.195 23.878 1.00 23.35 H new ATOM 122 N LEU A 15 14.522 28.770 29.989 1.00 9.27 N ATOM 123 CA LEU A 15 14.233 27.988 31.184 1.00 9.83 C ATOM 124 C LEU A 15 15.484 27.518 31.952 1.00 9.36 C ATOM 125 O LEU A 15 15.385 26.777 32.958 1.00 7.98 O ATOM 126 CB LEU A 15 13.288 26.788 30.848 1.00 9.17 C ATOM 127 CG LEU A 15 11.858 27.122 30.499 1.00 10.53 C ATOM 128 CD1 LEU A 15 11.087 25.946 29.907 1.00 13.28 C ATOM 129 CD2 LEU A 15 11.063 27.628 31.700 1.00 11.85 C ATOM 0 H LEU A 15 14.529 28.293 29.273 1.00 9.27 H new ATOM 0 HA LEU A 15 13.775 28.592 31.789 1.00 9.83 H new ATOM 0 HB2 LEU A 15 13.674 26.299 30.105 1.00 9.17 H new ATOM 0 HB3 LEU A 15 13.281 26.187 31.609 1.00 9.17 H new ATOM 0 HG LEU A 15 11.941 27.821 29.832 1.00 10.53 H new ATOM 0 HD11 LEU A 15 10.180 26.223 29.705 1.00 13.28 H new ATOM 0 HD12 LEU A 15 11.523 25.650 29.093 1.00 13.28 H new ATOM 0 HD13 LEU A 15 11.067 25.217 30.546 1.00 13.28 H new ATOM 0 HD21 LEU A 15 10.154 27.828 31.426 1.00 11.85 H new ATOM 0 HD22 LEU A 15 11.049 26.946 32.390 1.00 11.85 H new ATOM 0 HD23 LEU A 15 11.479 28.432 32.049 1.00 11.85 H new ATOM 130 N GLY A 16 16.614 27.970 31.422 1.00 7.97 N ATOM 131 CA GLY A 16 17.917 27.698 31.991 1.00 7.59 C ATOM 132 C GLY A 16 18.475 26.288 31.811 1.00 7.66 C ATOM 133 O GLY A 16 19.160 25.838 32.764 1.00 5.32 O ATOM 0 H GLY A 16 16.641 28.451 30.710 1.00 7.97 H new ATOM 0 HA2 GLY A 16 18.550 28.324 31.606 1.00 7.59 H new ATOM 0 HA3 GLY A 16 17.875 27.886 32.942 1.00 7.59 H new ATOM 134 N MET A 17 18.215 25.672 30.680 1.00 8.19 N ATOM 135 CA MET A 17 18.758 24.286 30.495 1.00 9.03 C ATOM 136 C MET A 17 20.172 24.240 29.937 1.00 9.47 C ATOM 137 O MET A 17 20.891 23.218 30.150 1.00 8.32 O ATOM 138 CB MET A 17 17.827 23.508 29.594 1.00 10.49 C ATOM 139 CG MET A 17 16.509 23.163 30.192 1.00 13.96 C ATOM 140 SD MET A 17 16.722 22.037 31.622 1.00 16.30 S ATOM 141 CE MET A 17 16.001 20.557 30.864 1.00 16.31 C ATOM 0 H MET A 17 17.757 25.991 30.026 1.00 8.19 H new ATOM 0 HA MET A 17 18.809 23.888 31.378 1.00 9.03 H new ATOM 0 HB2 MET A 17 17.675 24.024 28.787 1.00 10.49 H new ATOM 0 HB3 MET A 17 18.270 22.687 29.327 1.00 10.49 H new ATOM 0 HG2 MET A 17 16.056 23.972 30.476 1.00 13.96 H new ATOM 0 HG3 MET A 17 15.946 22.742 29.524 1.00 13.96 H new ATOM 0 HE1 MET A 17 16.324 19.767 31.325 1.00 16.31 H new ATOM 0 HE2 MET A 17 15.034 20.597 30.931 1.00 16.31 H new ATOM 0 HE3 MET A 17 16.258 20.514 29.930 1.00 16.31 H new ATOM 142 N ASP A 18 20.580 25.294 29.231 1.00 9.01 N ATOM 143 CA ASP A 18 21.914 25.307 28.602 1.00 10.25 C ATOM 144 C ASP A 18 23.031 25.169 29.637 1.00 10.24 C ATOM 145 O ASP A 18 23.320 26.146 30.365 1.00 10.85 O ATOM 146 CB ASP A 18 22.141 26.504 27.673 1.00 9.93 C ATOM 147 CG ASP A 18 23.344 26.322 26.770 1.00 12.51 C ATOM 148 OD1 ASP A 18 23.806 25.191 26.465 1.00 12.24 O ATOM 149 OD2 ASP A 18 23.897 27.331 26.250 1.00 12.01 O ATOM 0 H ASP A 18 20.112 26.004 29.102 1.00 9.01 H new ATOM 0 HA ASP A 18 21.944 24.523 28.031 1.00 10.25 H new ATOM 0 HB2 ASP A 18 21.350 26.641 27.128 1.00 9.93 H new ATOM 0 HB3 ASP A 18 22.260 27.305 28.207 1.00 9.93 H new ATOM 150 N GLY A 19 23.700 24.045 29.677 1.00 8.58 N ATOM 151 CA GLY A 19 24.806 23.732 30.554 1.00 8.64 C ATOM 152 C GLY A 19 24.426 23.330 31.961 1.00 8.64 C ATOM 153 O GLY A 19 25.276 23.323 32.863 1.00 9.28 O ATOM 0 H GLY A 19 23.508 23.391 29.153 1.00 8.58 H new ATOM 0 HA2 GLY A 19 25.320 23.012 30.156 1.00 8.64 H new ATOM 0 HA3 GLY A 19 25.390 24.505 30.602 1.00 8.64 H new ATOM 154 N TYR A 20 23.159 23.021 32.175 1.00 10.15 N ATOM 155 CA TYR A 20 22.614 22.590 33.473 1.00 9.69 C ATOM 156 C TYR A 20 23.294 21.250 33.859 1.00 10.59 C ATOM 157 O TYR A 20 23.089 20.281 33.147 1.00 9.48 O ATOM 158 CB TYR A 20 21.072 22.418 33.482 1.00 9.95 C ATOM 159 CG TYR A 20 20.618 22.215 34.917 1.00 10.83 C ATOM 160 CD1 TYR A 20 20.410 23.275 35.790 1.00 11.27 C ATOM 161 CD2 TYR A 20 20.429 20.924 35.420 1.00 11.20 C ATOM 162 CE1 TYR A 20 20.001 23.081 37.113 1.00 12.26 C ATOM 163 CE2 TYR A 20 20.057 20.710 36.728 1.00 10.52 C ATOM 164 CZ TYR A 20 19.848 21.766 37.583 1.00 11.38 C ATOM 165 OH TYR A 20 19.465 21.518 38.880 1.00 14.05 O ATOM 0 H TYR A 20 22.564 23.054 31.554 1.00 10.15 H new ATOM 0 HA TYR A 20 22.804 23.290 34.117 1.00 9.69 H new ATOM 0 HB2 TYR A 20 20.643 23.200 33.100 1.00 9.95 H new ATOM 0 HB3 TYR A 20 20.814 21.659 32.936 1.00 9.95 H new ATOM 0 HD1 TYR A 20 20.547 24.143 35.485 1.00 11.27 H new ATOM 0 HD2 TYR A 20 20.557 20.194 34.858 1.00 11.20 H new ATOM 0 HE1 TYR A 20 19.834 23.807 37.670 1.00 12.26 H new ATOM 0 HE2 TYR A 20 19.946 19.840 37.037 1.00 10.52 H new ATOM 0 HH TYR A 20 19.819 22.084 39.390 1.00 14.05 H new ATOM 166 N ARG A 21 23.997 21.282 34.956 1.00 11.64 N ATOM 167 CA ARG A 21 24.765 20.140 35.489 1.00 13.35 C ATOM 168 C ARG A 21 25.683 19.566 34.404 1.00 12.37 C ATOM 169 O ARG A 21 25.938 18.366 34.263 1.00 12.79 O ATOM 170 CB ARG A 21 23.913 19.059 36.133 1.00 15.90 C ATOM 171 CG ARG A 21 23.174 19.502 37.398 1.00 19.74 C ATOM 172 CD ARG A 21 23.999 19.155 38.586 1.00 24.06 C ATOM 173 NE ARG A 21 23.900 17.731 38.893 1.00 27.98 N ATOM 174 CZ ARG A 21 24.690 17.102 39.765 1.00 29.04 C ATOM 175 NH1 ARG A 21 25.705 17.716 40.366 1.00 29.50 N ATOM 176 NH2 ARG A 21 24.442 15.811 39.999 1.00 31.26 N ATOM 0 H ARG A 21 24.057 21.986 35.446 1.00 11.64 H new ATOM 0 HA ARG A 21 25.306 20.490 36.214 1.00 13.35 H new ATOM 0 HB2 ARG A 21 23.262 18.747 35.485 1.00 15.90 H new ATOM 0 HB3 ARG A 21 24.481 18.303 36.352 1.00 15.90 H new ATOM 0 HG2 ARG A 21 23.008 20.457 37.372 1.00 19.74 H new ATOM 0 HG3 ARG A 21 22.309 19.066 37.451 1.00 19.74 H new ATOM 0 HD2 ARG A 21 24.925 19.390 38.421 1.00 24.06 H new ATOM 0 HD3 ARG A 21 23.706 19.675 39.351 1.00 24.06 H new ATOM 0 HE ARG A 21 23.297 17.271 38.488 1.00 27.98 H new ATOM 0 HH11 ARG A 21 25.868 18.543 40.197 1.00 29.50 H new ATOM 0 HH12 ARG A 21 26.198 17.286 40.924 1.00 29.50 H new ATOM 0 HH21 ARG A 21 23.794 15.417 39.594 1.00 31.26 H new ATOM 0 HH22 ARG A 21 24.931 15.373 40.555 1.00 31.26 H new ATOM 177 N GLY A 22 26.208 20.467 33.608 1.00 10.48 N ATOM 178 CA GLY A 22 27.132 20.260 32.514 1.00 8.64 C ATOM 179 C GLY A 22 26.497 19.735 31.252 1.00 7.29 C ATOM 180 O GLY A 22 27.269 19.264 30.400 1.00 6.84 O ATOM 0 H GLY A 22 26.015 21.300 33.701 1.00 10.48 H new ATOM 0 HA2 GLY A 22 27.574 21.100 32.315 1.00 8.64 H new ATOM 0 HA3 GLY A 22 27.820 19.638 32.799 1.00 8.64 H new ATOM 181 N ILE A 23 25.176 19.845 31.126 1.00 7.03 N ATOM 182 CA ILE A 23 24.537 19.336 29.900 1.00 7.21 C ATOM 183 C ILE A 23 24.215 20.445 28.904 1.00 7.79 C ATOM 184 O ILE A 23 23.360 21.270 29.252 1.00 8.44 O ATOM 185 CB ILE A 23 23.240 18.511 30.224 1.00 6.94 C ATOM 186 CG1 ILE A 23 23.570 17.445 31.304 1.00 7.08 C ATOM 187 CG2 ILE A 23 22.616 17.905 28.939 1.00 7.22 C ATOM 188 CD1 ILE A 23 22.292 16.995 32.090 1.00 5.75 C ATOM 0 H ILE A 23 24.647 20.194 31.707 1.00 7.03 H new ATOM 0 HA ILE A 23 25.186 18.747 29.485 1.00 7.21 H new ATOM 0 HB ILE A 23 22.560 19.101 30.586 1.00 6.94 H new ATOM 0 HG12 ILE A 23 23.978 16.673 30.882 1.00 7.08 H new ATOM 0 HG13 ILE A 23 24.221 17.806 31.926 1.00 7.08 H new ATOM 0 HG21 ILE A 23 21.819 17.403 29.172 1.00 7.22 H new ATOM 0 HG22 ILE A 23 22.380 18.619 28.326 1.00 7.22 H new ATOM 0 HG23 ILE A 23 23.258 17.314 28.515 1.00 7.22 H new ATOM 0 HD11 ILE A 23 22.537 16.331 32.753 1.00 5.75 H new ATOM 0 HD12 ILE A 23 21.897 17.763 32.532 1.00 5.75 H new ATOM 0 HD13 ILE A 23 21.650 16.612 31.472 1.00 5.75 H new ATOM 189 N SER A 24 24.818 20.358 27.747 1.00 7.69 N ATOM 190 CA SER A 24 24.579 21.383 26.685 1.00 7.30 C ATOM 191 C SER A 24 23.157 21.344 26.180 1.00 7.34 C ATOM 192 O SER A 24 22.436 20.348 26.227 1.00 6.88 O ATOM 193 CB SER A 24 25.563 21.201 25.526 1.00 7.43 C ATOM 194 OG SER A 24 25.121 20.120 24.702 1.00 7.12 O ATOM 0 H SER A 24 25.368 19.733 27.530 1.00 7.69 H new ATOM 0 HA SER A 24 24.725 22.254 27.085 1.00 7.30 H new ATOM 0 HB2 SER A 24 25.621 22.017 25.005 1.00 7.43 H new ATOM 0 HB3 SER A 24 26.452 21.019 25.868 1.00 7.43 H new ATOM 0 HG SER A 24 25.478 20.181 23.944 1.00 7.12 H new ATOM 195 N LEU A 25 22.657 22.486 25.700 1.00 7.85 N ATOM 196 CA LEU A 25 21.304 22.581 25.154 1.00 8.37 C ATOM 197 C LEU A 25 21.085 21.576 24.010 1.00 8.88 C ATOM 198 O LEU A 25 19.990 20.967 23.942 1.00 8.99 O ATOM 199 CB LEU A 25 21.085 24.045 24.681 1.00 10.26 C ATOM 200 CG LEU A 25 19.683 24.443 24.256 1.00 10.43 C ATOM 201 CD1 LEU A 25 18.724 24.390 25.439 1.00 11.74 C ATOM 202 CD2 LEU A 25 19.698 25.891 23.728 1.00 11.09 C ATOM 0 H LEU A 25 23.094 23.226 25.683 1.00 7.85 H new ATOM 0 HA LEU A 25 20.654 22.354 25.837 1.00 8.37 H new ATOM 0 HB2 LEU A 25 21.359 24.636 25.400 1.00 10.26 H new ATOM 0 HB3 LEU A 25 21.682 24.211 23.935 1.00 10.26 H new ATOM 0 HG LEU A 25 19.390 23.824 23.569 1.00 10.43 H new ATOM 0 HD11 LEU A 25 17.835 24.647 25.147 1.00 11.74 H new ATOM 0 HD12 LEU A 25 18.699 23.488 25.795 1.00 11.74 H new ATOM 0 HD13 LEU A 25 19.027 25.001 26.129 1.00 11.74 H new ATOM 0 HD21 LEU A 25 18.802 26.146 23.456 1.00 11.09 H new ATOM 0 HD22 LEU A 25 20.005 26.488 24.428 1.00 11.09 H new ATOM 0 HD23 LEU A 25 20.296 25.952 22.967 1.00 11.09 H new ATOM 203 N ALA A 26 22.082 21.383 23.164 1.00 7.91 N ATOM 204 CA ALA A 26 21.920 20.458 22.014 1.00 7.31 C ATOM 205 C ALA A 26 21.610 19.051 22.523 1.00 6.84 C ATOM 206 O ALA A 26 20.887 18.312 21.836 1.00 6.55 O ATOM 207 CB ALA A 26 23.123 20.524 21.079 1.00 7.87 C ATOM 0 H ALA A 26 22.852 21.762 23.221 1.00 7.91 H new ATOM 0 HA ALA A 26 21.163 20.735 21.475 1.00 7.31 H new ATOM 0 HB1 ALA A 26 22.991 19.912 20.338 1.00 7.87 H new ATOM 0 HB2 ALA A 26 23.219 21.427 20.738 1.00 7.87 H new ATOM 0 HB3 ALA A 26 23.925 20.275 21.565 1.00 7.87 H new ATOM 208 N ASN A 27 22.163 18.716 23.687 1.00 6.94 N ATOM 209 CA ASN A 27 21.931 17.405 24.332 1.00 6.90 C ATOM 210 C ASN A 27 20.479 17.262 24.789 1.00 7.23 C ATOM 211 O ASN A 27 19.886 16.197 24.538 1.00 6.53 O ATOM 212 CB ASN A 27 22.927 17.090 25.445 1.00 8.47 C ATOM 213 CG ASN A 27 24.173 16.471 24.794 1.00 9.52 C ATOM 214 OD1 ASN A 27 24.137 15.363 24.258 1.00 9.02 O ATOM 215 ND2 ASN A 27 25.249 17.240 24.775 1.00 9.71 N ATOM 0 H ASN A 27 22.684 19.236 24.131 1.00 6.94 H new ATOM 0 HA ASN A 27 22.092 16.732 23.652 1.00 6.90 H new ATOM 0 HB2 ASN A 27 23.161 17.896 25.930 1.00 8.47 H new ATOM 0 HB3 ASN A 27 22.537 16.476 26.087 1.00 8.47 H new ATOM 0 HD21 ASN A 27 25.962 16.972 24.377 1.00 9.71 H new ATOM 0 HD22 ASN A 27 25.235 18.008 25.161 1.00 9.71 H new ATOM 216 N TRP A 28 19.963 18.293 25.480 1.00 6.11 N ATOM 217 CA TRP A 28 18.544 18.228 25.888 1.00 5.65 C ATOM 218 C TRP A 28 17.645 18.146 24.637 1.00 5.49 C ATOM 219 O TRP A 28 16.565 17.514 24.672 1.00 3.41 O ATOM 220 CB TRP A 28 18.203 19.462 26.699 1.00 7.14 C ATOM 221 CG TRP A 28 18.794 19.565 28.063 1.00 6.18 C ATOM 222 CD1 TRP A 28 19.798 20.430 28.472 1.00 6.78 C ATOM 223 CD2 TRP A 28 18.459 18.765 29.198 1.00 7.15 C ATOM 224 NE1 TRP A 28 20.060 20.207 29.811 1.00 7.29 N ATOM 225 CE2 TRP A 28 19.252 19.209 30.267 1.00 6.62 C ATOM 226 CE3 TRP A 28 17.561 17.710 29.364 1.00 9.02 C ATOM 227 CZ2 TRP A 28 19.195 18.633 31.531 1.00 8.58 C ATOM 228 CZ3 TRP A 28 17.456 17.154 30.638 1.00 7.41 C ATOM 229 CH2 TRP A 28 18.251 17.612 31.685 1.00 10.17 C ATOM 0 H TRP A 28 20.389 19.003 25.713 1.00 6.11 H new ATOM 0 HA TRP A 28 18.394 17.437 26.430 1.00 5.65 H new ATOM 0 HB2 TRP A 28 18.480 20.241 26.192 1.00 7.14 H new ATOM 0 HB3 TRP A 28 17.238 19.508 26.785 1.00 7.14 H new ATOM 0 HD1 TRP A 28 20.225 21.057 27.934 1.00 6.78 H new ATOM 0 HE1 TRP A 28 20.641 20.631 30.282 1.00 7.29 H new ATOM 0 HE3 TRP A 28 17.053 17.391 28.653 1.00 9.02 H new ATOM 0 HZ2 TRP A 28 19.747 18.908 32.227 1.00 8.58 H new ATOM 0 HZ3 TRP A 28 16.847 16.468 30.791 1.00 7.41 H new ATOM 0 HH2 TRP A 28 18.150 17.222 32.523 1.00 10.17 H new ATOM 230 N MET A 29 18.047 18.833 23.578 1.00 4.69 N ATOM 231 CA MET A 29 17.260 18.817 22.327 1.00 6.32 C ATOM 232 C MET A 29 17.282 17.388 21.759 1.00 6.40 C ATOM 233 O MET A 29 16.220 16.876 21.389 1.00 6.71 O ATOM 234 CB MET A 29 17.710 19.825 21.285 1.00 7.12 C ATOM 235 CG MET A 29 17.390 21.242 21.713 1.00 7.86 C ATOM 236 SD MET A 29 15.660 21.668 21.534 1.00 9.48 S ATOM 237 CE MET A 29 15.431 21.466 19.751 1.00 7.59 C ATOM 0 H MET A 29 18.761 19.312 23.551 1.00 4.69 H new ATOM 0 HA MET A 29 16.357 19.090 22.551 1.00 6.32 H new ATOM 0 HB2 MET A 29 18.665 19.737 21.139 1.00 7.12 H new ATOM 0 HB3 MET A 29 17.275 19.635 20.439 1.00 7.12 H new ATOM 0 HG2 MET A 29 17.650 21.359 22.640 1.00 7.86 H new ATOM 0 HG3 MET A 29 17.924 21.859 21.188 1.00 7.86 H new ATOM 0 HE1 MET A 29 14.547 21.777 19.501 1.00 7.59 H new ATOM 0 HE2 MET A 29 16.101 21.984 19.278 1.00 7.59 H new ATOM 0 HE3 MET A 29 15.522 20.529 19.517 1.00 7.59 H new ATOM 238 N CYS A 30 18.471 16.802 21.743 1.00 7.92 N ATOM 239 CA CYS A 30 18.649 15.423 21.227 1.00 7.23 C ATOM 240 C CYS A 30 17.724 14.477 22.016 1.00 7.54 C ATOM 241 O CYS A 30 16.997 13.712 21.359 1.00 7.05 O ATOM 242 CB CYS A 30 20.110 15.019 21.172 1.00 6.25 C ATOM 243 SG CYS A 30 20.351 13.366 20.349 1.00 7.97 S ATOM 0 H CYS A 30 19.194 17.174 22.023 1.00 7.92 H new ATOM 0 HA CYS A 30 18.375 15.367 20.298 1.00 7.23 H new ATOM 0 HB2 CYS A 30 20.613 15.695 20.691 1.00 6.25 H new ATOM 0 HB3 CYS A 30 20.469 14.986 22.073 1.00 6.25 H new ATOM 244 N LEU A 31 17.717 14.601 23.345 1.00 7.23 N ATOM 245 CA LEU A 31 16.850 13.821 24.213 1.00 7.39 C ATOM 246 C LEU A 31 15.373 13.975 23.864 1.00 8.49 C ATOM 247 O LEU A 31 14.748 12.926 23.590 1.00 8.52 O ATOM 248 CB LEU A 31 17.113 14.093 25.697 1.00 7.09 C ATOM 249 CG LEU A 31 16.273 13.329 26.711 1.00 6.96 C ATOM 250 CD1 LEU A 31 16.702 11.850 26.721 1.00 10.64 C ATOM 251 CD2 LEU A 31 16.557 13.983 28.074 1.00 7.38 C ATOM 0 H LEU A 31 18.225 15.150 23.769 1.00 7.23 H new ATOM 0 HA LEU A 31 17.078 12.892 24.050 1.00 7.39 H new ATOM 0 HB2 LEU A 31 18.047 13.900 25.876 1.00 7.09 H new ATOM 0 HB3 LEU A 31 16.984 15.041 25.855 1.00 7.09 H new ATOM 0 HG LEU A 31 15.327 13.360 26.500 1.00 6.96 H new ATOM 0 HD11 LEU A 31 16.167 11.362 27.367 1.00 10.64 H new ATOM 0 HD12 LEU A 31 16.570 11.469 25.839 1.00 10.64 H new ATOM 0 HD13 LEU A 31 17.639 11.786 26.964 1.00 10.64 H new ATOM 0 HD21 LEU A 31 16.044 13.532 28.763 1.00 7.38 H new ATOM 0 HD22 LEU A 31 17.503 13.911 28.277 1.00 7.38 H new ATOM 0 HD23 LEU A 31 16.304 14.919 28.043 1.00 7.38 H new ATOM 252 N ALA A 32 14.790 15.168 23.862 1.00 7.34 N ATOM 253 CA ALA A 32 13.359 15.358 23.558 1.00 6.46 C ATOM 254 C ALA A 32 12.968 14.850 22.173 1.00 6.79 C ATOM 255 O ALA A 32 11.831 14.354 21.991 1.00 8.43 O ATOM 256 CB ALA A 32 13.078 16.869 23.631 1.00 3.62 C ATOM 0 H ALA A 32 15.208 15.899 24.037 1.00 7.34 H new ATOM 0 HA ALA A 32 12.839 14.848 24.199 1.00 6.46 H new ATOM 0 HB1 ALA A 32 12.142 17.034 23.436 1.00 3.62 H new ATOM 0 HB2 ALA A 32 13.284 17.194 24.521 1.00 3.62 H new ATOM 0 HB3 ALA A 32 13.630 17.333 22.982 1.00 3.62 H new ATOM 257 N LYS A 33 13.882 15.000 21.215 1.00 6.32 N ATOM 258 CA LYS A 33 13.602 14.532 19.837 1.00 7.45 C ATOM 259 C LYS A 33 13.395 13.001 19.834 1.00 8.82 C ATOM 260 O LYS A 33 12.386 12.527 19.259 1.00 7.89 O ATOM 261 CB LYS A 33 14.721 14.883 18.889 1.00 8.84 C ATOM 262 CG LYS A 33 14.810 14.183 17.583 1.00 14.33 C ATOM 263 CD LYS A 33 13.642 14.231 16.636 1.00 17.52 C ATOM 264 CE LYS A 33 14.075 13.407 15.394 1.00 19.53 C ATOM 265 NZ LYS A 33 14.152 11.957 15.775 1.00 21.55 N ATOM 0 H LYS A 33 14.655 15.360 21.328 1.00 6.32 H new ATOM 0 HA LYS A 33 12.796 14.979 19.534 1.00 7.45 H new ATOM 0 HB2 LYS A 33 14.662 15.834 18.707 1.00 8.84 H new ATOM 0 HB3 LYS A 33 15.558 14.735 19.357 1.00 8.84 H new ATOM 0 HG2 LYS A 33 15.580 14.540 17.113 1.00 14.33 H new ATOM 0 HG3 LYS A 33 14.998 13.249 17.766 1.00 14.33 H new ATOM 0 HD2 LYS A 33 12.847 13.854 17.044 1.00 17.52 H new ATOM 0 HD3 LYS A 33 13.429 15.145 16.391 1.00 17.52 H new ATOM 0 HE2 LYS A 33 13.440 13.531 14.671 1.00 19.53 H new ATOM 0 HE3 LYS A 33 14.936 13.715 15.071 1.00 19.53 H new ATOM 0 HZ1 LYS A 33 13.700 11.470 15.183 1.00 21.55 H new ATOM 0 HZ2 LYS A 33 15.003 11.697 15.785 1.00 21.55 H new ATOM 0 HZ3 LYS A 33 13.798 11.843 16.584 1.00 21.55 H new ATOM 266 N TRP A 34 14.355 12.310 20.457 1.00 8.42 N ATOM 267 CA TRP A 34 14.262 10.828 20.471 1.00 9.21 C ATOM 268 C TRP A 34 13.251 10.344 21.495 1.00 8.40 C ATOM 269 O TRP A 34 12.696 9.246 21.237 1.00 10.69 O ATOM 270 CB TRP A 34 15.635 10.150 20.593 1.00 9.84 C ATOM 271 CG TRP A 34 16.405 10.420 19.347 1.00 10.80 C ATOM 272 CD1 TRP A 34 17.406 11.337 19.174 1.00 9.19 C ATOM 273 CD2 TRP A 34 16.197 9.797 18.070 1.00 11.06 C ATOM 274 NE1 TRP A 34 17.825 11.309 17.880 1.00 10.07 N ATOM 275 CE2 TRP A 34 17.107 10.394 17.177 1.00 11.42 C ATOM 276 CE3 TRP A 34 15.334 8.799 17.623 1.00 11.73 C ATOM 277 CZ2 TRP A 34 17.183 10.024 15.831 1.00 13.62 C ATOM 278 CZ3 TRP A 34 15.426 8.440 16.288 1.00 12.50 C ATOM 279 CH2 TRP A 34 16.346 9.002 15.406 1.00 13.06 C ATOM 0 H TRP A 34 15.036 12.649 20.859 1.00 8.42 H new ATOM 0 HA TRP A 34 13.924 10.551 19.605 1.00 9.21 H new ATOM 0 HB2 TRP A 34 16.112 10.491 21.365 1.00 9.84 H new ATOM 0 HB3 TRP A 34 15.529 9.195 20.724 1.00 9.84 H new ATOM 0 HD1 TRP A 34 17.747 11.893 19.837 1.00 9.19 H new ATOM 0 HE1 TRP A 34 18.453 11.799 17.554 1.00 10.07 H new ATOM 0 HE3 TRP A 34 14.724 8.392 18.195 1.00 11.73 H new ATOM 0 HZ2 TRP A 34 17.770 10.445 15.245 1.00 13.62 H new ATOM 0 HZ3 TRP A 34 14.844 7.791 15.964 1.00 12.50 H new ATOM 0 HH2 TRP A 34 16.399 8.692 14.531 1.00 13.06 H new ATOM 280 N GLU A 35 12.979 11.054 22.555 1.00 7.37 N ATOM 281 CA GLU A 35 12.010 10.604 23.528 1.00 6.93 C ATOM 282 C GLU A 35 10.564 10.801 23.112 1.00 7.76 C ATOM 283 O GLU A 35 9.813 9.796 23.155 1.00 7.14 O ATOM 284 CB GLU A 35 12.248 11.144 24.944 1.00 7.79 C ATOM 285 CG GLU A 35 13.529 10.724 25.642 1.00 9.98 C ATOM 286 CD GLU A 35 13.560 9.233 25.953 1.00 12.88 C ATOM 287 OE1 GLU A 35 12.552 8.546 25.948 1.00 12.54 O ATOM 288 OE2 GLU A 35 14.715 8.839 26.203 1.00 15.56 O ATOM 0 H GLU A 35 13.346 11.810 22.738 1.00 7.37 H new ATOM 0 HA GLU A 35 12.163 9.647 23.557 1.00 6.93 H new ATOM 0 HB2 GLU A 35 12.232 12.113 24.902 1.00 7.79 H new ATOM 0 HB3 GLU A 35 11.500 10.872 25.499 1.00 7.79 H new ATOM 0 HG2 GLU A 35 14.288 10.951 25.083 1.00 9.98 H new ATOM 0 HG3 GLU A 35 13.624 11.226 26.467 1.00 9.98 H new ATOM 289 N SER A 36 10.119 11.970 22.699 1.00 6.88 N ATOM 290 CA SER A 36 8.727 12.250 22.344 1.00 7.12 C ATOM 291 C SER A 36 8.458 12.841 20.973 1.00 7.97 C ATOM 292 O SER A 36 7.285 13.122 20.626 1.00 9.16 O ATOM 293 CB SER A 36 8.203 13.355 23.318 1.00 8.27 C ATOM 294 OG SER A 36 9.080 14.488 23.181 1.00 8.00 O ATOM 0 H SER A 36 10.632 12.654 22.611 1.00 6.88 H new ATOM 0 HA SER A 36 8.304 11.378 22.381 1.00 7.12 H new ATOM 0 HB2 SER A 36 7.290 13.600 23.100 1.00 8.27 H new ATOM 0 HB3 SER A 36 8.200 13.032 24.233 1.00 8.27 H new ATOM 0 HG SER A 36 9.574 14.543 23.858 1.00 8.00 H new ATOM 295 N GLY A 37 9.511 13.112 20.254 1.00 8.05 N ATOM 296 CA GLY A 37 9.427 13.768 18.935 1.00 8.61 C ATOM 297 C GLY A 37 8.942 15.209 19.204 1.00 9.03 C ATOM 298 O GLY A 37 8.256 15.787 18.358 1.00 9.82 O ATOM 0 H GLY A 37 10.314 12.927 20.501 1.00 8.05 H new ATOM 0 HA2 GLY A 37 10.290 13.769 18.493 1.00 8.61 H new ATOM 0 HA3 GLY A 37 8.811 13.298 18.352 1.00 8.61 H new ATOM 299 N TYR A 38 9.293 15.758 20.330 1.00 7.90 N ATOM 300 CA TYR A 38 8.935 17.116 20.781 1.00 9.64 C ATOM 301 C TYR A 38 7.446 17.239 21.073 1.00 10.36 C ATOM 302 O TYR A 38 6.864 18.353 20.989 1.00 11.62 O ATOM 303 CB TYR A 38 9.413 18.209 19.822 1.00 8.07 C ATOM 304 CG TYR A 38 10.805 18.222 19.261 1.00 8.29 C ATOM 305 CD1 TYR A 38 11.952 18.089 20.045 1.00 6.94 C ATOM 306 CD2 TYR A 38 10.987 18.379 17.884 1.00 6.07 C ATOM 307 CE1 TYR A 38 13.219 18.109 19.482 1.00 8.25 C ATOM 308 CE2 TYR A 38 12.245 18.443 17.303 1.00 8.58 C ATOM 309 CZ TYR A 38 13.362 18.300 18.106 1.00 9.82 C ATOM 310 OH TYR A 38 14.642 18.327 17.624 1.00 10.76 O ATOM 0 H TYR A 38 9.778 15.340 20.904 1.00 7.90 H new ATOM 0 HA TYR A 38 9.411 17.258 21.614 1.00 9.64 H new ATOM 0 HB2 TYR A 38 8.806 18.202 19.065 1.00 8.07 H new ATOM 0 HB3 TYR A 38 9.287 19.056 20.278 1.00 8.07 H new ATOM 0 HD1 TYR A 38 11.865 17.985 20.965 1.00 6.94 H new ATOM 0 HD2 TYR A 38 10.237 18.443 17.337 1.00 6.07 H new ATOM 0 HE1 TYR A 38 13.970 17.996 20.018 1.00 8.25 H new ATOM 0 HE2 TYR A 38 12.336 18.580 16.388 1.00 8.58 H new ATOM 0 HH TYR A 38 15.167 18.021 18.204 1.00 10.76 H new ATOM 311 N ASN A 39 6.801 16.156 21.474 1.00 8.63 N ATOM 312 CA ASN A 39 5.361 16.126 21.769 1.00 9.41 C ATOM 313 C ASN A 39 5.125 16.174 23.277 1.00 9.08 C ATOM 314 O ASN A 39 5.568 15.242 23.970 1.00 9.82 O ATOM 315 CB ASN A 39 4.767 14.873 21.095 1.00 8.78 C ATOM 316 CG ASN A 39 3.258 14.794 21.156 1.00 10.55 C ATOM 317 OD1 ASN A 39 2.566 15.628 21.761 1.00 10.21 O ATOM 318 ND2 ASN A 39 2.680 13.782 20.492 1.00 11.48 N ATOM 0 H ASN A 39 7.189 15.397 21.587 1.00 8.63 H new ATOM 0 HA ASN A 39 4.910 16.906 21.410 1.00 9.41 H new ATOM 0 HB2 ASN A 39 5.045 14.855 20.166 1.00 8.78 H new ATOM 0 HB3 ASN A 39 5.140 14.083 21.517 1.00 8.78 H new ATOM 0 HD21 ASN A 39 1.823 13.707 20.483 1.00 11.48 H new ATOM 0 HD22 ASN A 39 3.166 13.208 20.075 1.00 11.48 H new ATOM 319 N THR A 40 4.425 17.200 23.764 1.00 7.27 N ATOM 320 CA THR A 40 4.191 17.280 25.208 1.00 7.37 C ATOM 321 C THR A 40 3.148 16.313 25.734 1.00 7.76 C ATOM 322 O THR A 40 3.113 16.146 26.986 1.00 8.43 O ATOM 323 CB THR A 40 3.773 18.754 25.660 1.00 7.14 C ATOM 324 OG1 THR A 40 2.496 18.989 24.989 1.00 8.34 O ATOM 325 CG2 THR A 40 4.809 19.845 25.359 1.00 5.01 C ATOM 0 H THR A 40 4.088 17.838 23.296 1.00 7.27 H new ATOM 0 HA THR A 40 5.046 17.031 25.593 1.00 7.37 H new ATOM 0 HB THR A 40 3.708 18.806 26.626 1.00 7.14 H new ATOM 0 HG1 THR A 40 1.867 18.744 25.489 1.00 8.34 H new ATOM 0 HG21 THR A 40 4.474 20.702 25.665 1.00 5.01 H new ATOM 0 HG22 THR A 40 5.638 19.639 25.818 1.00 5.01 H new ATOM 0 HG23 THR A 40 4.970 19.884 24.403 1.00 5.01 H new ATOM 326 N ARG A 41 2.302 15.751 24.893 1.00 7.98 N ATOM 327 CA ARG A 41 1.250 14.855 25.409 1.00 9.55 C ATOM 328 C ARG A 41 1.621 13.368 25.303 1.00 9.66 C ATOM 329 O ARG A 41 0.813 12.524 25.690 1.00 10.51 O ATOM 330 CB ARG A 41 -0.091 15.202 24.774 1.00 12.73 C ATOM 331 CG ARG A 41 -0.453 14.523 23.463 1.00 16.74 C ATOM 332 CD ARG A 41 -1.717 15.007 22.851 1.00 21.31 C ATOM 333 NE ARG A 41 -2.937 14.806 23.607 1.00 25.53 N ATOM 334 CZ ARG A 41 -3.612 13.653 23.752 1.00 27.24 C ATOM 335 NH1 ARG A 41 -3.203 12.548 23.126 1.00 27.61 N ATOM 336 NH2 ARG A 41 -4.724 13.565 24.485 1.00 28.13 N ATOM 0 H ARG A 41 2.306 15.862 24.040 1.00 7.98 H new ATOM 0 HA ARG A 41 1.165 15.007 26.363 1.00 9.55 H new ATOM 0 HB2 ARG A 41 -0.787 14.997 25.418 1.00 12.73 H new ATOM 0 HB3 ARG A 41 -0.112 16.161 24.629 1.00 12.73 H new ATOM 0 HG2 ARG A 41 0.271 14.656 22.832 1.00 16.74 H new ATOM 0 HG3 ARG A 41 -0.525 13.568 23.615 1.00 16.74 H new ATOM 0 HD2 ARG A 41 -1.623 15.957 22.678 1.00 21.31 H new ATOM 0 HD3 ARG A 41 -1.821 14.571 21.991 1.00 21.31 H new ATOM 0 HE ARG A 41 -3.263 15.496 24.004 1.00 25.53 H new ATOM 0 HH11 ARG A 41 -2.504 12.571 22.626 1.00 27.61 H new ATOM 0 HH12 ARG A 41 -3.639 11.813 23.222 1.00 27.61 H new ATOM 0 HH21 ARG A 41 -5.032 14.262 24.885 1.00 28.13 H new ATOM 0 HH22 ARG A 41 -5.133 12.812 24.558 1.00 28.13 H new ATOM 337 N ALA A 42 2.797 13.061 24.814 1.00 9.08 N ATOM 338 CA ALA A 42 3.279 11.695 24.661 1.00 9.40 C ATOM 339 C ALA A 42 3.242 10.919 25.967 1.00 10.28 C ATOM 340 O ALA A 42 3.652 11.381 27.037 1.00 8.04 O ATOM 341 CB ALA A 42 4.717 11.706 24.149 1.00 9.83 C ATOM 0 H ALA A 42 3.362 13.654 24.551 1.00 9.08 H new ATOM 0 HA ALA A 42 2.688 11.258 24.028 1.00 9.40 H new ATOM 0 HB1 ALA A 42 5.032 10.794 24.049 1.00 9.83 H new ATOM 0 HB2 ALA A 42 4.751 12.155 23.290 1.00 9.83 H new ATOM 0 HB3 ALA A 42 5.282 12.176 24.782 1.00 9.83 H new ATOM 342 N THR A 43 2.817 9.646 25.845 1.00 11.23 N ATOM 343 CA THR A 43 2.828 8.745 27.013 1.00 12.31 C ATOM 344 C THR A 43 3.248 7.372 26.450 1.00 12.96 C ATOM 345 O THR A 43 2.825 7.066 25.332 1.00 13.51 O ATOM 346 CB THR A 43 1.530 8.562 27.858 1.00 12.24 C ATOM 347 OG1 THR A 43 0.523 8.140 26.876 1.00 13.91 O ATOM 348 CG2 THR A 43 1.085 9.792 28.646 1.00 13.08 C ATOM 0 H THR A 43 2.527 9.295 25.116 1.00 11.23 H new ATOM 0 HA THR A 43 3.422 9.161 27.657 1.00 12.31 H new ATOM 0 HB THR A 43 1.678 7.915 28.565 1.00 12.24 H new ATOM 0 HG1 THR A 43 -0.213 8.019 27.263 1.00 13.91 H new ATOM 0 HG21 THR A 43 0.275 9.586 29.138 1.00 13.08 H new ATOM 0 HG22 THR A 43 1.784 10.048 29.268 1.00 13.08 H new ATOM 0 HG23 THR A 43 0.913 10.524 28.033 1.00 13.08 H new ATOM 349 N ASN A 44 4.015 6.663 27.247 1.00 13.99 N ATOM 350 CA ASN A 44 4.470 5.322 26.861 1.00 13.94 C ATOM 351 C ASN A 44 4.384 4.379 28.080 1.00 13.17 C ATOM 352 O ASN A 44 5.161 4.534 29.008 1.00 11.89 O ATOM 353 CB ASN A 44 5.891 5.317 26.306 1.00 17.02 C ATOM 354 CG ASN A 44 6.430 3.912 26.077 1.00 19.01 C ATOM 355 OD1 ASN A 44 7.252 3.341 26.960 1.00 20.90 O flip ATOM 356 ND2 ASN A 44 6.091 3.269 25.080 1.00 20.26 N flip ATOM 0 H ASN A 44 4.290 6.928 28.017 1.00 13.99 H new ATOM 0 HA ASN A 44 3.886 5.013 26.150 1.00 13.94 H new ATOM 0 HB2 ASN A 44 5.908 5.806 25.468 1.00 17.02 H new ATOM 0 HB3 ASN A 44 6.476 5.787 26.921 1.00 17.02 H new ATOM 0 HD21 ASN A 44 5.562 3.621 24.501 1.00 20.26 H new ATOM 0 HD22 ASN A 44 6.384 2.469 24.964 1.00 20.26 H new ATOM 357 N TYR A 45 3.491 3.420 27.988 1.00 12.58 N ATOM 358 CA TYR A 45 3.321 2.359 28.980 1.00 11.70 C ATOM 359 C TYR A 45 4.386 1.275 28.712 1.00 11.38 C ATOM 360 O TYR A 45 4.619 0.801 27.586 1.00 10.80 O ATOM 361 CB TYR A 45 1.908 1.726 28.922 1.00 11.24 C ATOM 362 CG TYR A 45 1.704 0.662 29.967 1.00 11.13 C ATOM 363 CD1 TYR A 45 1.826 0.981 31.318 1.00 12.06 C ATOM 364 CD2 TYR A 45 1.428 -0.668 29.612 1.00 13.26 C ATOM 365 CE1 TYR A 45 1.675 0.019 32.301 1.00 12.44 C ATOM 366 CE2 TYR A 45 1.251 -1.676 30.577 1.00 13.18 C ATOM 367 CZ TYR A 45 1.361 -1.304 31.916 1.00 12.51 C ATOM 368 OH TYR A 45 1.225 -2.196 32.946 1.00 13.67 O ATOM 0 H TYR A 45 2.944 3.358 27.328 1.00 12.58 H new ATOM 0 HA TYR A 45 3.426 2.743 29.865 1.00 11.70 H new ATOM 0 HB2 TYR A 45 1.241 2.421 29.039 1.00 11.24 H new ATOM 0 HB3 TYR A 45 1.766 1.342 28.043 1.00 11.24 H new ATOM 0 HD1 TYR A 45 2.013 1.858 31.564 1.00 12.06 H new ATOM 0 HD2 TYR A 45 1.360 -0.889 28.711 1.00 13.26 H new ATOM 0 HE1 TYR A 45 1.778 0.239 33.199 1.00 12.44 H new ATOM 0 HE2 TYR A 45 1.068 -2.554 30.332 1.00 13.18 H new ATOM 0 HH TYR A 45 0.948 -1.794 33.630 1.00 13.67 H new ATOM 369 N ASN A 46 5.096 0.931 29.773 1.00 11.51 N ATOM 370 CA ASN A 46 6.138 -0.119 29.771 1.00 11.80 C ATOM 371 C ASN A 46 5.424 -1.330 30.407 1.00 12.40 C ATOM 372 O ASN A 46 5.318 -1.427 31.659 1.00 11.58 O ATOM 373 CB ASN A 46 7.395 0.367 30.473 1.00 12.56 C ATOM 374 CG ASN A 46 7.811 1.738 29.931 1.00 14.49 C ATOM 375 OD1 ASN A 46 7.757 2.792 30.731 1.00 17.50 O flip ATOM 376 ND2 ASN A 46 8.139 1.816 28.739 1.00 12.88 N flip ATOM 0 H ASN A 46 4.992 1.304 30.541 1.00 11.51 H new ATOM 0 HA ASN A 46 6.478 -0.364 28.896 1.00 11.80 H new ATOM 0 HB2 ASN A 46 7.238 0.424 31.428 1.00 12.56 H new ATOM 0 HB3 ASN A 46 8.114 -0.271 30.342 1.00 12.56 H new ATOM 0 HD21 ASN A 46 8.162 1.108 28.252 1.00 12.88 H new ATOM 0 HD22 ASN A 46 8.344 2.579 28.398 1.00 12.88 H new ATOM 377 N ALA A 47 4.902 -2.195 29.547 1.00 12.05 N ATOM 378 CA ALA A 47 4.174 -3.392 30.051 1.00 14.06 C ATOM 379 C ALA A 47 5.024 -4.210 31.019 1.00 13.15 C ATOM 380 O ALA A 47 4.569 -4.841 31.968 1.00 13.82 O ATOM 381 CB ALA A 47 3.739 -4.275 28.873 1.00 13.24 C ATOM 0 H ALA A 47 4.947 -2.126 28.691 1.00 12.05 H new ATOM 0 HA ALA A 47 3.394 -3.078 30.534 1.00 14.06 H new ATOM 0 HB1 ALA A 47 3.266 -5.052 29.209 1.00 13.24 H new ATOM 0 HB2 ALA A 47 3.154 -3.769 28.288 1.00 13.24 H new ATOM 0 HB3 ALA A 47 4.522 -4.563 28.378 1.00 13.24 H new ATOM 382 N GLY A 48 6.301 -4.199 30.767 1.00 14.11 N ATOM 383 CA GLY A 48 7.401 -4.868 31.413 1.00 14.23 C ATOM 384 C GLY A 48 7.524 -4.676 32.896 1.00 13.98 C ATOM 385 O GLY A 48 7.770 -5.674 33.607 1.00 12.65 O ATOM 0 H GLY A 48 6.592 -3.726 30.111 1.00 14.11 H new ATOM 0 HA2 GLY A 48 7.325 -5.819 31.235 1.00 14.23 H new ATOM 0 HA3 GLY A 48 8.225 -4.567 30.999 1.00 14.23 H new ATOM 386 N ASP A 49 7.371 -3.437 33.338 1.00 12.82 N ATOM 387 CA ASP A 49 7.491 -3.119 34.775 1.00 13.05 C ATOM 388 C ASP A 49 6.263 -2.358 35.280 1.00 12.26 C ATOM 389 O ASP A 49 6.267 -1.983 36.450 1.00 12.22 O ATOM 390 CB ASP A 49 8.808 -2.423 35.104 1.00 12.53 C ATOM 391 CG ASP A 49 8.793 -0.961 34.652 1.00 14.60 C ATOM 392 OD1 ASP A 49 7.922 -0.561 33.873 1.00 13.26 O ATOM 393 OD2 ASP A 49 9.709 -0.264 35.120 1.00 14.69 O ATOM 0 H ASP A 49 7.198 -2.762 32.834 1.00 12.82 H new ATOM 0 HA ASP A 49 7.514 -3.958 35.261 1.00 13.05 H new ATOM 0 HB2 ASP A 49 8.969 -2.467 36.060 1.00 12.53 H new ATOM 0 HB3 ASP A 49 9.540 -2.890 34.671 1.00 12.53 H new ATOM 394 N ARG A 50 5.272 -2.166 34.417 1.00 12.15 N ATOM 395 CA ARG A 50 4.040 -1.488 34.865 1.00 12.62 C ATOM 396 C ARG A 50 4.233 0.013 35.098 1.00 11.40 C ATOM 397 O ARG A 50 3.392 0.601 35.828 1.00 13.77 O ATOM 398 CB ARG A 50 3.416 -2.145 36.116 1.00 12.68 C ATOM 399 CG ARG A 50 3.098 -3.638 35.879 1.00 16.86 C ATOM 400 CD ARG A 50 2.155 -4.199 36.877 1.00 19.17 C ATOM 401 NE ARG A 50 1.541 -5.436 36.521 1.00 22.75 N ATOM 402 CZ ARG A 50 0.618 -5.960 35.746 1.00 24.19 C ATOM 403 NH1 ARG A 50 -0.170 -5.356 34.859 1.00 23.40 N ATOM 404 NH2 ARG A 50 0.404 -7.298 35.899 1.00 25.20 N ATOM 0 H ARG A 50 5.281 -2.408 33.592 1.00 12.15 H new ATOM 0 HA ARG A 50 3.417 -1.595 34.129 1.00 12.62 H new ATOM 0 HB2 ARG A 50 4.026 -2.059 36.865 1.00 12.68 H new ATOM 0 HB3 ARG A 50 2.602 -1.675 36.357 1.00 12.68 H new ATOM 0 HG2 ARG A 50 2.722 -3.746 34.991 1.00 16.86 H new ATOM 0 HG3 ARG A 50 3.924 -4.146 35.901 1.00 16.86 H new ATOM 0 HD2 ARG A 50 2.631 -4.322 37.713 1.00 19.17 H new ATOM 0 HD3 ARG A 50 1.457 -3.546 37.041 1.00 19.17 H new ATOM 0 HE ARG A 50 1.906 -6.066 36.978 1.00 22.75 H new ATOM 0 HH11 ARG A 50 -0.108 -4.507 34.737 1.00 23.40 H new ATOM 0 HH12 ARG A 50 -0.741 -5.815 34.408 1.00 23.40 H new ATOM 0 HH21 ARG A 50 0.861 -7.743 36.476 1.00 25.20 H new ATOM 0 HH22 ARG A 50 -0.188 -7.696 35.419 1.00 25.20 H new ATOM 405 N SER A 51 5.273 0.583 34.535 1.00 9.60 N ATOM 406 CA SER A 51 5.430 2.077 34.725 1.00 8.40 C ATOM 407 C SER A 51 5.046 2.742 33.397 1.00 8.08 C ATOM 408 O SER A 51 4.925 2.092 32.366 1.00 6.96 O ATOM 409 CB SER A 51 6.883 2.358 35.128 1.00 7.01 C ATOM 410 OG SER A 51 7.716 2.016 33.992 1.00 8.83 O ATOM 0 H SER A 51 5.877 0.189 34.066 1.00 9.60 H new ATOM 0 HA SER A 51 4.860 2.432 35.425 1.00 8.40 H new ATOM 0 HB2 SER A 51 6.998 3.291 35.368 1.00 7.01 H new ATOM 0 HB3 SER A 51 7.131 1.833 35.905 1.00 7.01 H new ATOM 0 HG SER A 51 7.726 1.182 33.892 1.00 8.83 H new ATOM 411 N THR A 52 4.859 4.073 33.420 1.00 7.67 N ATOM 412 CA THR A 52 4.530 4.889 32.254 1.00 7.56 C ATOM 413 C THR A 52 5.512 6.110 32.213 1.00 5.66 C ATOM 414 O THR A 52 5.849 6.576 33.281 1.00 4.56 O ATOM 415 CB THR A 52 3.062 5.458 32.307 1.00 8.78 C ATOM 416 OG1 THR A 52 2.194 4.292 32.485 1.00 12.66 O ATOM 417 CG2 THR A 52 2.583 6.223 31.058 1.00 9.05 C ATOM 0 H THR A 52 4.924 4.534 34.143 1.00 7.67 H new ATOM 0 HA THR A 52 4.608 4.323 31.470 1.00 7.56 H new ATOM 0 HB THR A 52 3.034 6.112 33.022 1.00 8.78 H new ATOM 0 HG1 THR A 52 1.987 4.218 33.296 1.00 12.66 H new ATOM 0 HG21 THR A 52 1.673 6.528 31.195 1.00 9.05 H new ATOM 0 HG22 THR A 52 3.160 6.987 30.905 1.00 9.05 H new ATOM 0 HG23 THR A 52 2.614 5.636 30.287 1.00 9.05 H new ATOM 418 N ASP A 53 5.889 6.487 31.019 1.00 5.86 N ATOM 419 CA ASP A 53 6.796 7.649 30.775 1.00 7.71 C ATOM 420 C ASP A 53 5.856 8.785 30.301 1.00 6.37 C ATOM 421 O ASP A 53 5.026 8.512 29.430 1.00 6.42 O ATOM 422 CB ASP A 53 7.789 7.324 29.692 1.00 9.82 C ATOM 423 CG ASP A 53 8.631 6.076 29.913 1.00 10.72 C ATOM 424 OD1 ASP A 53 9.161 5.860 30.985 1.00 11.98 O ATOM 425 OD2 ASP A 53 8.735 5.376 28.893 1.00 14.01 O ATOM 0 H ASP A 53 5.638 6.089 30.299 1.00 5.86 H new ATOM 0 HA ASP A 53 7.304 7.888 31.566 1.00 7.71 H new ATOM 0 HB2 ASP A 53 7.308 7.224 28.856 1.00 9.82 H new ATOM 0 HB3 ASP A 53 8.386 8.081 29.587 1.00 9.82 H new ATOM 426 N TYR A 54 5.999 9.981 30.843 1.00 5.80 N ATOM 427 CA TYR A 54 5.125 11.101 30.486 1.00 6.04 C ATOM 428 C TYR A 54 5.857 12.335 29.959 1.00 6.38 C ATOM 429 O TYR A 54 6.944 12.746 30.400 1.00 6.15 O ATOM 430 CB TYR A 54 4.405 11.520 31.798 1.00 5.78 C ATOM 431 CG TYR A 54 3.520 10.477 32.423 1.00 5.95 C ATOM 432 CD1 TYR A 54 4.003 9.484 33.295 1.00 6.39 C ATOM 433 CD2 TYR A 54 2.158 10.468 32.132 1.00 8.14 C ATOM 434 CE1 TYR A 54 3.148 8.561 33.871 1.00 7.02 C ATOM 435 CE2 TYR A 54 1.275 9.534 32.700 1.00 8.18 C ATOM 436 CZ TYR A 54 1.789 8.579 33.579 1.00 8.53 C ATOM 437 OH TYR A 54 0.924 7.655 34.137 1.00 7.62 O ATOM 0 H TYR A 54 6.601 10.173 31.427 1.00 5.80 H new ATOM 0 HA TYR A 54 4.538 10.802 29.774 1.00 6.04 H new ATOM 0 HB2 TYR A 54 5.078 11.780 32.447 1.00 5.78 H new ATOM 0 HB3 TYR A 54 3.869 12.307 31.615 1.00 5.78 H new ATOM 0 HD1 TYR A 54 4.912 9.447 33.487 1.00 6.39 H new ATOM 0 HD2 TYR A 54 1.821 11.102 31.541 1.00 8.14 H new ATOM 0 HE1 TYR A 54 3.485 7.924 34.458 1.00 7.02 H new ATOM 0 HE2 TYR A 54 0.368 9.552 32.495 1.00 8.18 H new ATOM 0 HH TYR A 54 1.354 7.135 34.637 1.00 7.62 H new ATOM 438 N GLY A 55 5.201 12.936 28.970 1.00 7.74 N ATOM 439 CA GLY A 55 5.730 14.173 28.381 1.00 6.89 C ATOM 440 C GLY A 55 6.841 14.139 27.415 1.00 7.02 C ATOM 441 O GLY A 55 7.337 13.152 26.851 1.00 5.58 O ATOM 0 H GLY A 55 4.463 12.655 28.629 1.00 7.74 H new ATOM 0 HA2 GLY A 55 4.988 14.620 27.945 1.00 6.89 H new ATOM 0 HA3 GLY A 55 6.010 14.740 29.116 1.00 6.89 H new ATOM 442 N ILE A 56 7.310 15.379 27.162 1.00 6.21 N ATOM 443 CA ILE A 56 8.371 15.668 26.204 1.00 6.18 C ATOM 444 C ILE A 56 9.678 14.974 26.507 1.00 5.93 C ATOM 445 O ILE A 56 10.365 14.642 25.525 1.00 6.04 O ATOM 446 CB ILE A 56 8.459 17.239 26.029 1.00 5.31 C ATOM 447 CG1 ILE A 56 9.142 17.591 24.705 1.00 6.96 C ATOM 448 CG2 ILE A 56 9.057 17.963 27.250 1.00 5.39 C ATOM 449 CD1 ILE A 56 8.806 19.040 24.217 1.00 10.14 C ATOM 0 H ILE A 56 7.007 16.081 27.556 1.00 6.21 H new ATOM 0 HA ILE A 56 8.148 15.282 25.343 1.00 6.18 H new ATOM 0 HB ILE A 56 7.552 17.580 25.984 1.00 5.31 H new ATOM 0 HG12 ILE A 56 10.103 17.503 24.808 1.00 6.96 H new ATOM 0 HG13 ILE A 56 8.870 16.954 24.026 1.00 6.96 H new ATOM 0 HG21 ILE A 56 9.083 18.918 27.080 1.00 5.39 H new ATOM 0 HG22 ILE A 56 8.508 17.789 28.030 1.00 5.39 H new ATOM 0 HG23 ILE A 56 9.957 17.639 27.410 1.00 5.39 H new ATOM 0 HD11 ILE A 56 9.261 19.213 23.378 1.00 10.14 H new ATOM 0 HD12 ILE A 56 7.848 19.124 24.088 1.00 10.14 H new ATOM 0 HD13 ILE A 56 9.100 19.682 24.882 1.00 10.14 H new ATOM 450 N PHE A 57 9.978 14.785 27.773 1.00 6.62 N ATOM 451 CA PHE A 57 11.227 14.146 28.204 1.00 8.03 C ATOM 452 C PHE A 57 10.947 12.687 28.612 1.00 9.28 C ATOM 453 O PHE A 57 11.893 11.994 29.027 1.00 9.40 O ATOM 454 CB PHE A 57 11.933 14.929 29.304 1.00 9.65 C ATOM 455 CG PHE A 57 12.472 16.275 28.885 1.00 11.04 C ATOM 456 CD1 PHE A 57 13.331 16.411 27.798 1.00 10.53 C ATOM 457 CD2 PHE A 57 12.051 17.425 29.590 1.00 11.18 C ATOM 458 CE1 PHE A 57 13.814 17.673 27.421 1.00 12.94 C ATOM 459 CE2 PHE A 57 12.501 18.675 29.201 1.00 12.09 C ATOM 460 CZ PHE A 57 13.385 18.810 28.144 1.00 11.00 C ATOM 0 H PHE A 57 9.466 15.022 28.422 1.00 6.62 H new ATOM 0 HA PHE A 57 11.843 14.144 27.454 1.00 8.03 H new ATOM 0 HB2 PHE A 57 11.313 15.059 30.039 1.00 9.65 H new ATOM 0 HB3 PHE A 57 12.667 14.393 29.643 1.00 9.65 H new ATOM 0 HD1 PHE A 57 13.587 15.658 27.317 1.00 10.53 H new ATOM 0 HD2 PHE A 57 11.473 17.342 30.314 1.00 11.18 H new ATOM 0 HE1 PHE A 57 14.405 17.760 26.709 1.00 12.94 H new ATOM 0 HE2 PHE A 57 12.207 19.432 29.654 1.00 12.09 H new ATOM 0 HZ PHE A 57 13.698 19.653 27.908 1.00 11.00 H new ATOM 461 N GLN A 58 9.694 12.266 28.482 1.00 9.27 N ATOM 462 CA GLN A 58 9.315 10.875 28.838 1.00 8.79 C ATOM 463 C GLN A 58 9.830 10.489 30.209 1.00 8.00 C ATOM 464 O GLN A 58 10.648 9.569 30.415 1.00 7.57 O ATOM 465 CB GLN A 58 9.851 9.949 27.729 1.00 9.76 C ATOM 466 CG GLN A 58 9.053 10.022 26.448 1.00 9.30 C ATOM 467 CD GLN A 58 7.637 9.479 26.605 1.00 9.97 C ATOM 468 OE1 GLN A 58 7.414 8.303 26.362 1.00 7.13 O ATOM 469 NE2 GLN A 58 6.653 10.278 26.983 1.00 9.34 N ATOM 0 H GLN A 58 9.046 12.753 28.194 1.00 9.27 H new ATOM 0 HA GLN A 58 8.350 10.792 28.893 1.00 8.79 H new ATOM 0 HB2 GLN A 58 10.774 10.181 27.541 1.00 9.76 H new ATOM 0 HB3 GLN A 58 9.849 9.034 28.052 1.00 9.76 H new ATOM 0 HG2 GLN A 58 9.011 10.944 26.150 1.00 9.30 H new ATOM 0 HG3 GLN A 58 9.513 9.521 25.756 1.00 9.30 H new ATOM 0 HE21 GLN A 58 6.813 11.106 27.154 1.00 9.34 H new ATOM 0 HE22 GLN A 58 5.854 9.970 27.058 1.00 9.34 H new ATOM 470 N ILE A 59 9.334 11.199 31.199 1.00 7.60 N ATOM 471 CA ILE A 59 9.697 11.035 32.609 1.00 7.35 C ATOM 472 C ILE A 59 8.960 9.813 33.160 1.00 7.68 C ATOM 473 O ILE A 59 7.741 9.747 33.088 1.00 7.89 O ATOM 474 CB ILE A 59 9.487 12.362 33.394 1.00 7.29 C ATOM 475 CG1 ILE A 59 10.505 13.449 32.862 1.00 8.37 C ATOM 476 CG2 ILE A 59 9.699 12.202 34.921 1.00 7.36 C ATOM 477 CD1 ILE A 59 10.071 14.840 33.370 1.00 8.71 C ATOM 0 H ILE A 59 8.751 11.819 31.073 1.00 7.60 H new ATOM 0 HA ILE A 59 10.644 10.853 32.716 1.00 7.35 H new ATOM 0 HB ILE A 59 8.567 12.632 33.249 1.00 7.29 H new ATOM 0 HG12 ILE A 59 11.402 13.246 33.169 1.00 8.37 H new ATOM 0 HG13 ILE A 59 10.528 13.439 31.892 1.00 8.37 H new ATOM 0 HG21 ILE A 59 9.556 13.056 35.359 1.00 7.36 H new ATOM 0 HG22 ILE A 59 9.069 11.551 35.269 1.00 7.36 H new ATOM 0 HG23 ILE A 59 10.604 11.899 35.092 1.00 7.36 H new ATOM 0 HD11 ILE A 59 10.692 15.511 33.047 1.00 8.71 H new ATOM 0 HD12 ILE A 59 9.180 15.041 33.043 1.00 8.71 H new ATOM 0 HD13 ILE A 59 10.068 14.844 34.340 1.00 8.71 H new ATOM 478 N ASN A 60 9.715 8.917 33.760 1.00 7.49 N ATOM 479 CA ASN A 60 9.112 7.671 34.283 1.00 8.05 C ATOM 480 C ASN A 60 8.482 7.828 35.652 1.00 7.46 C ATOM 481 O ASN A 60 9.022 8.410 36.610 1.00 9.13 O ATOM 482 CB ASN A 60 10.178 6.578 34.187 1.00 9.34 C ATOM 483 CG ASN A 60 9.569 5.171 34.403 1.00 8.86 C ATOM 484 OD1 ASN A 60 9.634 4.722 35.562 1.00 11.08 O ATOM 485 ND2 ASN A 60 9.056 4.637 33.315 1.00 7.61 N ATOM 0 H ASN A 60 10.563 8.992 33.881 1.00 7.49 H new ATOM 0 HA ASN A 60 8.348 7.415 33.743 1.00 8.05 H new ATOM 0 HB2 ASN A 60 10.605 6.617 33.317 1.00 9.34 H new ATOM 0 HB3 ASN A 60 10.868 6.738 34.850 1.00 9.34 H new ATOM 0 HD21 ASN A 60 8.695 3.857 33.348 1.00 7.61 H new ATOM 0 HD22 ASN A 60 9.082 5.068 32.571 1.00 7.61 H new ATOM 486 N SER A 61 7.306 7.226 35.753 1.00 7.40 N ATOM 487 CA SER A 61 6.452 7.160 36.910 1.00 8.33 C ATOM 488 C SER A 61 6.987 6.321 38.058 1.00 9.44 C ATOM 489 O SER A 61 6.451 6.452 39.179 1.00 9.88 O ATOM 490 CB SER A 61 5.089 6.595 36.539 1.00 8.79 C ATOM 491 OG SER A 61 5.157 5.211 36.351 1.00 11.36 O ATOM 0 H SER A 61 6.963 6.811 35.082 1.00 7.40 H new ATOM 0 HA SER A 61 6.400 8.079 37.216 1.00 8.33 H new ATOM 0 HB2 SER A 61 4.449 6.799 37.239 1.00 8.79 H new ATOM 0 HB3 SER A 61 4.768 7.020 35.728 1.00 8.79 H new ATOM 0 HG SER A 61 4.444 4.856 36.618 1.00 11.36 H new ATOM 492 N ARG A 62 8.007 5.499 37.798 1.00 11.27 N ATOM 493 CA ARG A 62 8.529 4.679 38.919 1.00 11.56 C ATOM 494 C ARG A 62 9.257 5.510 39.955 1.00 11.65 C ATOM 495 O ARG A 62 9.202 5.226 41.165 1.00 12.50 O ATOM 496 CB ARG A 62 9.413 3.526 38.432 1.00 12.78 C ATOM 497 CG ARG A 62 10.035 2.737 39.596 1.00 16.42 C ATOM 498 CD ARG A 62 10.208 1.284 39.331 1.00 17.35 C ATOM 499 NE ARG A 62 9.009 0.490 39.707 1.00 19.04 N ATOM 500 CZ ARG A 62 8.313 -0.072 38.695 1.00 18.34 C ATOM 501 NH1 ARG A 62 8.854 0.005 37.474 1.00 19.42 N ATOM 502 NH2 ARG A 62 7.097 -0.570 38.864 1.00 16.59 N ATOM 0 H ARG A 62 8.395 5.397 37.037 1.00 11.27 H new ATOM 0 HA ARG A 62 7.750 4.294 39.349 1.00 11.56 H new ATOM 0 HB2 ARG A 62 8.885 2.926 37.883 1.00 12.78 H new ATOM 0 HB3 ARG A 62 10.120 3.878 37.869 1.00 12.78 H new ATOM 0 HG2 ARG A 62 10.900 3.121 39.807 1.00 16.42 H new ATOM 0 HG3 ARG A 62 9.477 2.847 40.382 1.00 16.42 H new ATOM 0 HD2 ARG A 62 10.398 1.150 38.389 1.00 17.35 H new ATOM 0 HD3 ARG A 62 10.976 0.957 39.825 1.00 17.35 H new ATOM 0 HE ARG A 62 8.770 0.393 40.528 1.00 19.04 H new ATOM 0 HH11 ARG A 62 9.610 0.399 37.363 1.00 19.42 H new ATOM 0 HH12 ARG A 62 8.445 -0.339 36.800 1.00 19.42 H new ATOM 0 HH21 ARG A 62 6.725 -0.542 39.639 1.00 16.59 H new ATOM 0 HH22 ARG A 62 6.680 -0.921 38.199 1.00 16.59 H new ATOM 503 N TYR A 63 9.979 6.543 39.507 1.00 11.83 N ATOM 504 CA TYR A 63 10.760 7.361 40.413 1.00 12.02 C ATOM 505 C TYR A 63 10.443 8.845 40.497 1.00 11.03 C ATOM 506 O TYR A 63 10.618 9.408 41.573 1.00 9.71 O ATOM 507 CB TYR A 63 12.267 7.321 39.967 1.00 15.10 C ATOM 508 CG TYR A 63 12.775 5.916 39.734 1.00 18.30 C ATOM 509 CD1 TYR A 63 13.115 5.118 40.823 1.00 19.59 C ATOM 510 CD2 TYR A 63 12.876 5.390 38.440 1.00 19.80 C ATOM 511 CE1 TYR A 63 13.572 3.814 40.641 1.00 20.34 C ATOM 512 CE2 TYR A 63 13.328 4.077 38.246 1.00 21.04 C ATOM 513 CZ TYR A 63 13.672 3.312 39.360 1.00 20.50 C ATOM 514 OH TYR A 63 14.148 2.031 39.212 1.00 22.99 O ATOM 0 H TYR A 63 10.024 6.779 38.681 1.00 11.83 H new ATOM 0 HA TYR A 63 10.547 6.971 41.275 1.00 12.02 H new ATOM 0 HB2 TYR A 63 12.372 7.837 39.153 1.00 15.10 H new ATOM 0 HB3 TYR A 63 12.812 7.748 40.646 1.00 15.10 H new ATOM 0 HD1 TYR A 63 13.036 5.460 41.684 1.00 19.59 H new ATOM 0 HD2 TYR A 63 12.643 5.913 37.707 1.00 19.80 H new ATOM 0 HE1 TYR A 63 13.806 3.290 41.373 1.00 20.34 H new ATOM 0 HE2 TYR A 63 13.397 3.722 37.389 1.00 21.04 H new ATOM 0 HH TYR A 63 14.165 1.831 38.396 1.00 22.99 H new ATOM 515 N TRP A 64 10.004 9.405 39.378 1.00 10.33 N ATOM 516 CA TRP A 64 9.821 10.855 39.315 1.00 10.53 C ATOM 517 C TRP A 64 8.491 11.526 39.471 1.00 10.81 C ATOM 518 O TRP A 64 8.530 12.668 39.995 1.00 12.40 O ATOM 519 CB TRP A 64 10.515 11.350 38.010 1.00 9.02 C ATOM 520 CG TRP A 64 11.820 10.675 37.769 1.00 9.77 C ATOM 521 CD1 TRP A 64 12.098 9.683 36.861 1.00 11.17 C ATOM 522 CD2 TRP A 64 13.037 10.921 38.480 1.00 10.11 C ATOM 523 NE1 TRP A 64 13.431 9.307 36.962 1.00 10.93 N ATOM 524 CE2 TRP A 64 14.016 10.028 37.957 1.00 10.71 C ATOM 525 CE3 TRP A 64 13.357 11.775 39.538 1.00 9.38 C ATOM 526 CZ2 TRP A 64 15.307 10.007 38.450 1.00 11.11 C ATOM 527 CZ3 TRP A 64 14.649 11.744 40.033 1.00 10.83 C ATOM 528 CH2 TRP A 64 15.606 10.882 39.478 1.00 10.67 C ATOM 0 H TRP A 64 9.809 8.978 38.657 1.00 10.33 H new ATOM 0 HA TRP A 64 10.210 11.131 40.160 1.00 10.53 H new ATOM 0 HB2 TRP A 64 9.928 11.192 37.254 1.00 9.02 H new ATOM 0 HB3 TRP A 64 10.655 12.308 38.065 1.00 9.02 H new ATOM 0 HD1 TRP A 64 11.484 9.317 36.266 1.00 11.17 H new ATOM 0 HE1 TRP A 64 13.823 8.716 36.476 1.00 10.93 H new ATOM 0 HE3 TRP A 64 12.720 12.348 39.899 1.00 9.38 H new ATOM 0 HZ2 TRP A 64 15.948 9.428 38.105 1.00 11.11 H new ATOM 0 HZ3 TRP A 64 14.885 12.300 40.740 1.00 10.83 H new ATOM 0 HH2 TRP A 64 16.473 10.900 39.814 1.00 10.67 H new ATOM 529 N CYS A 65 7.402 10.941 39.058 1.00 10.56 N ATOM 530 CA CYS A 65 6.087 11.636 39.239 1.00 10.34 C ATOM 531 C CYS A 65 5.112 10.620 39.811 1.00 9.55 C ATOM 532 O CYS A 65 5.423 9.413 39.680 1.00 12.07 O ATOM 533 CB CYS A 65 5.632 12.188 37.903 1.00 8.33 C ATOM 534 SG CYS A 65 5.420 11.020 36.549 1.00 7.85 S ATOM 0 H CYS A 65 7.366 10.170 38.680 1.00 10.56 H new ATOM 0 HA CYS A 65 6.150 12.386 39.851 1.00 10.34 H new ATOM 0 HB2 CYS A 65 4.787 12.644 38.040 1.00 8.33 H new ATOM 0 HB3 CYS A 65 6.274 12.859 37.622 1.00 8.33 H new ATOM 535 N ASN A 66 4.004 11.017 40.358 1.00 8.98 N ATOM 536 CA ASN A 66 3.046 10.028 40.879 1.00 9.18 C ATOM 537 C ASN A 66 1.873 9.836 39.911 1.00 8.34 C ATOM 538 O ASN A 66 1.230 10.839 39.577 1.00 7.49 O ATOM 539 CB ASN A 66 2.553 10.357 42.288 1.00 9.42 C ATOM 540 CG ASN A 66 1.473 9.385 42.717 1.00 10.42 C ATOM 541 OD1 ASN A 66 1.666 8.153 42.601 1.00 12.91 O ATOM 542 ND2 ASN A 66 0.354 9.863 43.213 1.00 9.50 N ATOM 0 H ASN A 66 3.768 11.839 40.448 1.00 8.98 H new ATOM 0 HA ASN A 66 3.527 9.189 40.949 1.00 9.18 H new ATOM 0 HB2 ASN A 66 3.295 10.320 42.912 1.00 9.42 H new ATOM 0 HB3 ASN A 66 2.207 11.263 42.312 1.00 9.42 H new ATOM 0 HD21 ASN A 66 -0.268 9.326 43.467 1.00 9.50 H new ATOM 0 HD22 ASN A 66 0.243 10.713 43.283 1.00 9.50 H new ATOM 543 N ASP A 67 1.582 8.567 39.600 1.00 7.51 N ATOM 544 CA ASP A 67 0.435 8.260 38.736 1.00 8.39 C ATOM 545 C ASP A 67 -0.487 7.284 39.509 1.00 8.58 C ATOM 546 O ASP A 67 -1.531 6.874 39.018 1.00 9.26 O ATOM 547 CB ASP A 67 0.749 7.844 37.342 1.00 7.39 C ATOM 548 CG ASP A 67 1.508 6.535 37.162 1.00 6.59 C ATOM 549 OD1 ASP A 67 1.912 5.912 38.155 1.00 7.94 O ATOM 550 OD2 ASP A 67 1.722 6.176 35.994 1.00 5.91 O ATOM 0 H ASP A 67 2.026 7.883 39.873 1.00 7.51 H new ATOM 0 HA ASP A 67 -0.035 9.090 38.558 1.00 8.39 H new ATOM 0 HB2 ASP A 67 -0.086 7.778 36.853 1.00 7.39 H new ATOM 0 HB3 ASP A 67 1.266 8.551 36.926 1.00 7.39 H new ATOM 551 N GLY A 68 -0.104 6.958 40.724 1.00 10.68 N ATOM 552 CA GLY A 68 -0.872 6.057 41.560 1.00 11.24 C ATOM 553 C GLY A 68 -0.888 4.592 41.134 1.00 11.28 C ATOM 554 O GLY A 68 -0.900 3.757 42.069 1.00 11.98 O ATOM 0 H GLY A 68 0.614 7.254 41.093 1.00 10.68 H new ATOM 0 HA2 GLY A 68 -0.523 6.108 42.464 1.00 11.24 H new ATOM 0 HA3 GLY A 68 -1.788 6.376 41.591 1.00 11.24 H new ATOM 555 N LYS A 69 -0.890 4.242 39.868 1.00 11.11 N ATOM 556 CA LYS A 69 -0.942 2.813 39.486 1.00 11.75 C ATOM 557 C LYS A 69 0.426 2.202 39.265 1.00 12.27 C ATOM 558 O LYS A 69 0.488 1.084 38.699 1.00 13.47 O ATOM 559 CB LYS A 69 -1.804 2.663 38.217 1.00 12.18 C ATOM 560 CG LYS A 69 -1.189 3.410 37.040 1.00 13.03 C ATOM 561 CD LYS A 69 -1.891 3.246 35.706 1.00 14.30 C ATOM 562 CE LYS A 69 -1.079 3.941 34.605 1.00 16.37 C ATOM 563 NZ LYS A 69 -1.957 4.378 33.498 1.00 19.00 N ATOM 0 H LYS A 69 -0.863 4.794 39.209 1.00 11.11 H new ATOM 0 HA LYS A 69 -1.337 2.328 40.227 1.00 11.75 H new ATOM 0 HB2 LYS A 69 -1.895 1.723 37.995 1.00 12.18 H new ATOM 0 HB3 LYS A 69 -2.697 3.002 38.388 1.00 12.18 H new ATOM 0 HG2 LYS A 69 -1.164 4.355 37.258 1.00 13.03 H new ATOM 0 HG3 LYS A 69 -0.270 3.117 36.939 1.00 13.03 H new ATOM 0 HD2 LYS A 69 -1.994 2.304 35.498 1.00 14.30 H new ATOM 0 HD3 LYS A 69 -2.783 3.626 35.751 1.00 14.30 H new ATOM 0 HE2 LYS A 69 -0.614 4.707 34.976 1.00 16.37 H new ATOM 0 HE3 LYS A 69 -0.402 3.335 34.266 1.00 16.37 H new ATOM 0 HZ1 LYS A 69 -1.492 4.395 32.739 1.00 19.00 H new ATOM 0 HZ2 LYS A 69 -2.637 3.810 33.416 1.00 19.00 H new ATOM 0 HZ3 LYS A 69 -2.270 5.193 33.671 1.00 19.00 H new ATOM 564 N THR A 70 1.523 2.823 39.651 1.00 11.74 N ATOM 565 CA THR A 70 2.847 2.198 39.413 1.00 12.01 C ATOM 566 C THR A 70 3.262 1.572 40.742 1.00 12.40 C ATOM 567 O THR A 70 3.330 2.299 41.726 1.00 12.89 O ATOM 568 CB THR A 70 3.939 3.218 38.910 1.00 12.13 C ATOM 569 OG1 THR A 70 3.426 3.829 37.683 1.00 11.06 O ATOM 570 CG2 THR A 70 5.324 2.587 38.650 1.00 10.00 C ATOM 0 H THR A 70 1.543 3.588 40.044 1.00 11.74 H new ATOM 0 HA THR A 70 2.775 1.541 38.703 1.00 12.01 H new ATOM 0 HB THR A 70 4.088 3.870 39.613 1.00 12.13 H new ATOM 0 HG1 THR A 70 3.032 4.547 37.871 1.00 11.06 H new ATOM 0 HG21 THR A 70 5.940 3.272 38.345 1.00 10.00 H new ATOM 0 HG22 THR A 70 5.660 2.193 39.471 1.00 10.00 H new ATOM 0 HG23 THR A 70 5.244 1.899 37.971 1.00 10.00 H new ATOM 571 N PRO A 71 3.446 0.247 40.755 1.00 12.51 N ATOM 572 CA PRO A 71 3.830 -0.401 42.014 1.00 13.12 C ATOM 573 C PRO A 71 5.236 -0.015 42.472 1.00 12.74 C ATOM 574 O PRO A 71 6.126 0.116 41.633 1.00 13.89 O ATOM 575 CB PRO A 71 3.704 -1.883 41.740 1.00 12.31 C ATOM 576 CG PRO A 71 3.523 -2.041 40.271 1.00 13.01 C ATOM 577 CD PRO A 71 3.322 -0.666 39.618 1.00 12.78 C ATOM 0 HA PRO A 71 3.261 -0.118 42.747 1.00 13.12 H new ATOM 0 HB2 PRO A 71 4.496 -2.356 42.041 1.00 12.31 H new ATOM 0 HB3 PRO A 71 2.950 -2.258 42.221 1.00 12.31 H new ATOM 0 HG2 PRO A 71 4.298 -2.480 39.887 1.00 13.01 H new ATOM 0 HG3 PRO A 71 2.757 -2.609 40.091 1.00 13.01 H new ATOM 0 HD2 PRO A 71 3.990 -0.488 38.938 1.00 12.78 H new ATOM 0 HD3 PRO A 71 2.455 -0.593 39.189 1.00 12.78 H new ATOM 578 N GLY A 72 5.402 0.160 43.762 1.00 14.52 N ATOM 579 CA GLY A 72 6.666 0.491 44.424 1.00 16.63 C ATOM 580 C GLY A 72 7.262 1.833 44.002 1.00 18.19 C ATOM 581 O GLY A 72 8.471 2.135 44.190 1.00 19.87 O ATOM 0 H GLY A 72 4.749 0.087 44.317 1.00 14.52 H new ATOM 0 HA2 GLY A 72 6.524 0.499 45.384 1.00 16.63 H new ATOM 0 HA3 GLY A 72 7.310 -0.210 44.238 1.00 16.63 H new ATOM 582 N ALA A 73 6.428 2.697 43.436 1.00 18.00 N ATOM 583 CA ALA A 73 6.915 4.004 42.971 1.00 17.42 C ATOM 584 C ALA A 73 7.162 5.051 44.047 1.00 16.61 C ATOM 585 O ALA A 73 6.696 5.064 45.181 1.00 16.61 O ATOM 586 CB ALA A 73 5.908 4.581 41.961 1.00 17.25 C ATOM 0 H ALA A 73 5.589 2.556 43.310 1.00 18.00 H new ATOM 0 HA ALA A 73 7.785 3.820 42.583 1.00 17.42 H new ATOM 0 HB1 ALA A 73 6.221 5.444 41.648 1.00 17.25 H new ATOM 0 HB2 ALA A 73 5.823 3.976 41.207 1.00 17.25 H new ATOM 0 HB3 ALA A 73 5.044 4.687 42.389 1.00 17.25 H new ATOM 587 N VAL A 74 7.987 5.998 43.602 1.00 16.06 N ATOM 588 CA VAL A 74 8.335 7.197 44.408 1.00 15.24 C ATOM 589 C VAL A 74 8.000 8.350 43.418 1.00 14.08 C ATOM 590 O VAL A 74 7.799 8.119 42.222 1.00 11.32 O ATOM 591 CB VAL A 74 9.702 7.233 45.068 1.00 15.67 C ATOM 592 CG1 VAL A 74 9.815 6.236 46.228 1.00 15.17 C ATOM 593 CG2 VAL A 74 10.861 7.052 44.110 1.00 15.42 C ATOM 0 H VAL A 74 8.365 5.974 42.830 1.00 16.06 H new ATOM 0 HA VAL A 74 7.833 7.244 45.237 1.00 15.24 H new ATOM 0 HB VAL A 74 9.772 8.134 45.421 1.00 15.67 H new ATOM 0 HG11 VAL A 74 10.701 6.293 46.619 1.00 15.17 H new ATOM 0 HG12 VAL A 74 9.151 6.447 46.902 1.00 15.17 H new ATOM 0 HG13 VAL A 74 9.665 5.336 45.898 1.00 15.17 H new ATOM 0 HG21 VAL A 74 11.696 7.086 44.602 1.00 15.42 H new ATOM 0 HG22 VAL A 74 10.783 6.193 43.666 1.00 15.42 H new ATOM 0 HG23 VAL A 74 10.847 7.760 43.448 1.00 15.42 H new ATOM 594 N ASN A 75 7.929 9.510 43.999 1.00 14.45 N ATOM 595 CA ASN A 75 7.596 10.761 43.275 1.00 13.48 C ATOM 596 C ASN A 75 8.607 11.840 43.664 1.00 13.59 C ATOM 597 O ASN A 75 8.277 12.748 44.428 1.00 13.51 O ATOM 598 CB ASN A 75 6.174 11.075 43.705 1.00 11.63 C ATOM 599 CG ASN A 75 5.639 12.378 43.164 1.00 10.97 C ATOM 600 OD1 ASN A 75 6.179 12.907 42.192 1.00 12.46 O ATOM 601 ND2 ASN A 75 4.572 12.784 43.856 1.00 10.78 N ATOM 0 H ASN A 75 8.071 9.625 44.839 1.00 14.45 H new ATOM 0 HA ASN A 75 7.644 10.696 42.308 1.00 13.48 H new ATOM 0 HB2 ASN A 75 5.593 10.354 43.417 1.00 11.63 H new ATOM 0 HB3 ASN A 75 6.137 11.099 44.674 1.00 11.63 H new ATOM 0 HD21 ASN A 75 4.167 13.510 43.635 1.00 10.78 H new ATOM 0 HD22 ASN A 75 4.290 12.320 44.523 1.00 10.78 H new ATOM 602 N ALA A 76 9.817 11.662 43.171 1.00 13.36 N ATOM 603 CA ALA A 76 10.951 12.525 43.439 1.00 12.66 C ATOM 604 C ALA A 76 10.696 13.953 42.995 1.00 12.37 C ATOM 605 O ALA A 76 11.243 14.826 43.669 1.00 13.03 O ATOM 606 CB ALA A 76 12.232 11.948 42.841 1.00 13.03 C ATOM 0 H ALA A 76 10.010 11.007 42.648 1.00 13.36 H new ATOM 0 HA ALA A 76 11.074 12.560 44.401 1.00 12.66 H new ATOM 0 HB1 ALA A 76 12.975 12.542 43.033 1.00 13.03 H new ATOM 0 HB2 ALA A 76 12.406 11.076 43.229 1.00 13.03 H new ATOM 0 HB3 ALA A 76 12.130 11.859 41.881 1.00 13.03 H new ATOM 607 N CYS A 77 9.919 14.227 41.976 1.00 13.47 N ATOM 608 CA CYS A 77 9.693 15.617 41.526 1.00 12.47 C ATOM 609 C CYS A 77 8.544 16.272 42.270 1.00 13.67 C ATOM 610 O CYS A 77 8.316 17.493 42.127 1.00 13.20 O ATOM 611 CB CYS A 77 9.484 15.605 40.000 1.00 12.08 C ATOM 612 SG CYS A 77 10.969 15.144 39.066 1.00 10.58 S ATOM 0 H CYS A 77 9.502 13.632 41.516 1.00 13.47 H new ATOM 0 HA CYS A 77 10.470 16.159 41.732 1.00 12.47 H new ATOM 0 HB2 CYS A 77 8.770 14.985 39.784 1.00 12.08 H new ATOM 0 HB3 CYS A 77 9.192 16.485 39.714 1.00 12.08 H new ATOM 613 N HIS A 78 7.806 15.487 43.015 1.00 13.90 N ATOM 614 CA HIS A 78 6.635 15.981 43.771 1.00 15.72 C ATOM 615 C HIS A 78 5.568 16.519 42.833 1.00 15.17 C ATOM 616 O HIS A 78 5.011 17.619 42.996 1.00 15.29 O ATOM 617 CB HIS A 78 6.982 17.083 44.835 1.00 17.89 C ATOM 618 CG HIS A 78 8.155 16.576 45.619 1.00 20.59 C ATOM 619 ND1 HIS A 78 9.365 17.202 45.750 1.00 22.26 N ATOM 620 CD2 HIS A 78 8.267 15.387 46.279 1.00 22.08 C ATOM 621 CE1 HIS A 78 10.163 16.452 46.498 1.00 21.67 C ATOM 622 NE2 HIS A 78 9.529 15.345 46.822 1.00 22.67 N ATOM 0 H HIS A 78 7.954 14.645 43.110 1.00 13.90 H new ATOM 0 HA HIS A 78 6.303 15.208 44.254 1.00 15.72 H new ATOM 0 HB2 HIS A 78 7.196 17.924 44.402 1.00 17.89 H new ATOM 0 HB3 HIS A 78 6.225 17.249 45.418 1.00 17.89 H new ATOM 0 HD1 HIS A 78 9.574 17.960 45.403 1.00 22.26 H new ATOM 0 HD2 HIS A 78 7.613 14.729 46.348 1.00 22.08 H new ATOM 0 HE1 HIS A 78 11.030 16.672 46.752 1.00 21.67 H new ATOM 623 N LEU A 79 5.261 15.732 41.810 1.00 14.26 N ATOM 624 CA LEU A 79 4.277 16.113 40.824 1.00 13.72 C ATOM 625 C LEU A 79 3.369 14.912 40.455 1.00 12.12 C ATOM 626 O LEU A 79 3.863 13.802 40.486 1.00 10.73 O ATOM 627 CB LEU A 79 4.993 16.455 39.513 1.00 15.46 C ATOM 628 CG LEU A 79 5.783 17.693 39.230 1.00 18.39 C ATOM 629 CD1 LEU A 79 6.154 17.720 37.750 1.00 17.05 C ATOM 630 CD2 LEU A 79 4.956 18.936 39.636 1.00 19.09 C ATOM 0 H LEU A 79 5.620 14.963 41.673 1.00 14.26 H new ATOM 0 HA LEU A 79 3.768 16.850 41.196 1.00 13.72 H new ATOM 0 HB2 LEU A 79 5.599 15.716 39.347 1.00 15.46 H new ATOM 0 HB3 LEU A 79 4.309 16.420 38.826 1.00 15.46 H new ATOM 0 HG LEU A 79 6.603 17.700 39.748 1.00 18.39 H new ATOM 0 HD11 LEU A 79 6.667 18.521 37.559 1.00 17.05 H new ATOM 0 HD12 LEU A 79 6.685 16.937 37.535 1.00 17.05 H new ATOM 0 HD13 LEU A 79 5.346 17.719 37.214 1.00 17.05 H new ATOM 0 HD21 LEU A 79 5.468 19.739 39.453 1.00 19.09 H new ATOM 0 HD22 LEU A 79 4.130 18.956 39.127 1.00 19.09 H new ATOM 0 HD23 LEU A 79 4.751 18.893 40.583 1.00 19.09 H new ATOM 631 N SER A 80 2.178 15.297 40.076 1.00 10.04 N ATOM 632 CA SER A 80 1.178 14.395 39.523 1.00 11.03 C ATOM 633 C SER A 80 1.784 14.179 38.120 1.00 11.17 C ATOM 634 O SER A 80 2.264 15.138 37.487 1.00 10.92 O ATOM 635 CB SER A 80 -0.204 15.040 39.420 1.00 10.73 C ATOM 636 OG SER A 80 -1.057 14.202 38.649 1.00 14.14 O ATOM 0 H SER A 80 1.911 16.113 40.131 1.00 10.04 H new ATOM 0 HA SER A 80 1.023 13.596 40.051 1.00 11.03 H new ATOM 0 HB2 SER A 80 -0.577 15.173 40.305 1.00 10.73 H new ATOM 0 HB3 SER A 80 -0.134 15.915 39.008 1.00 10.73 H new ATOM 0 HG SER A 80 -1.832 14.526 38.638 1.00 14.14 H new ATOM 637 N CYS A 81 1.826 12.962 37.604 1.00 10.70 N ATOM 638 CA CYS A 81 2.403 12.704 36.268 1.00 8.89 C ATOM 639 C CYS A 81 1.611 13.482 35.204 1.00 8.93 C ATOM 640 O CYS A 81 2.119 13.775 34.119 1.00 8.90 O ATOM 641 CB CYS A 81 2.432 11.229 35.910 1.00 7.83 C ATOM 642 SG CYS A 81 3.578 10.230 36.858 1.00 7.22 S ATOM 0 H CYS A 81 1.528 12.261 38.003 1.00 10.70 H new ATOM 0 HA CYS A 81 3.324 13.007 36.293 1.00 8.89 H new ATOM 0 HB2 CYS A 81 1.540 10.866 36.024 1.00 7.83 H new ATOM 0 HB3 CYS A 81 2.654 11.144 34.970 1.00 7.83 H new ATOM 643 N SER A 82 0.374 13.735 35.552 1.00 10.02 N ATOM 644 CA SER A 82 -0.624 14.479 34.784 1.00 11.96 C ATOM 645 C SER A 82 -0.074 15.867 34.432 1.00 11.57 C ATOM 646 O SER A 82 -0.289 16.378 33.314 1.00 10.92 O ATOM 647 CB SER A 82 -1.900 14.628 35.646 1.00 14.61 C ATOM 648 OG SER A 82 -2.853 15.452 34.987 1.00 19.49 O ATOM 0 H SER A 82 0.058 13.459 36.303 1.00 10.02 H new ATOM 0 HA SER A 82 -0.832 14.005 33.964 1.00 11.96 H new ATOM 0 HB2 SER A 82 -2.284 13.754 35.818 1.00 14.61 H new ATOM 0 HB3 SER A 82 -1.672 15.013 36.507 1.00 14.61 H new ATOM 0 HG SER A 82 -3.144 16.029 35.524 1.00 19.49 H new ATOM 649 N ALA A 83 0.697 16.450 35.333 1.00 11.28 N ATOM 650 CA ALA A 83 1.309 17.770 35.179 1.00 12.18 C ATOM 651 C ALA A 83 2.235 17.910 33.985 1.00 12.78 C ATOM 652 O ALA A 83 2.458 19.049 33.508 1.00 13.57 O ATOM 653 CB ALA A 83 2.158 18.155 36.401 1.00 10.72 C ATOM 0 H ALA A 83 0.890 16.077 36.084 1.00 11.28 H new ATOM 0 HA ALA A 83 0.539 18.349 35.062 1.00 12.18 H new ATOM 0 HB1 ALA A 83 2.546 19.033 36.262 1.00 10.72 H new ATOM 0 HB2 ALA A 83 1.598 18.171 37.193 1.00 10.72 H new ATOM 0 HB3 ALA A 83 2.867 17.504 36.521 1.00 10.72 H new ATOM 654 N LEU A 84 2.800 16.824 33.536 1.00 12.22 N ATOM 655 CA LEU A 84 3.714 16.718 32.418 1.00 11.84 C ATOM 656 C LEU A 84 3.016 16.469 31.072 1.00 13.48 C ATOM 657 O LEU A 84 3.745 16.001 30.140 1.00 14.38 O ATOM 658 CB LEU A 84 4.647 15.528 32.735 1.00 10.21 C ATOM 659 CG LEU A 84 5.405 15.441 34.033 1.00 9.26 C ATOM 660 CD1 LEU A 84 6.224 14.116 34.040 1.00 8.66 C ATOM 661 CD2 LEU A 84 6.385 16.607 34.141 1.00 8.51 C ATOM 0 H LEU A 84 2.652 16.060 33.903 1.00 12.22 H new ATOM 0 HA LEU A 84 4.186 17.560 32.319 1.00 11.84 H new ATOM 0 HB2 LEU A 84 4.109 14.724 32.669 1.00 10.21 H new ATOM 0 HB3 LEU A 84 5.304 15.489 32.023 1.00 10.21 H new ATOM 0 HG LEU A 84 4.780 15.469 34.774 1.00 9.26 H new ATOM 0 HD11 LEU A 84 6.719 14.045 34.871 1.00 8.66 H new ATOM 0 HD12 LEU A 84 5.620 13.361 33.959 1.00 8.66 H new ATOM 0 HD13 LEU A 84 6.844 14.115 33.294 1.00 8.66 H new ATOM 0 HD21 LEU A 84 6.870 16.546 34.979 1.00 8.51 H new ATOM 0 HD22 LEU A 84 7.012 16.573 33.402 1.00 8.51 H new ATOM 0 HD23 LEU A 84 5.896 17.444 34.111 1.00 8.51 H new ATOM 662 N LEU A 85 1.705 16.660 30.989 1.00 11.82 N ATOM 663 CA LEU A 85 1.010 16.404 29.713 1.00 12.25 C ATOM 664 C LEU A 85 0.372 17.713 29.217 1.00 11.98 C ATOM 665 O LEU A 85 -0.383 17.699 28.248 1.00 12.42 O ATOM 666 CB LEU A 85 0.014 15.257 29.819 1.00 10.44 C ATOM 667 CG LEU A 85 0.507 13.905 30.366 1.00 10.57 C ATOM 668 CD1 LEU A 85 -0.655 12.921 30.479 1.00 8.84 C ATOM 669 CD2 LEU A 85 1.557 13.373 29.402 1.00 9.25 C ATOM 0 H LEU A 85 1.204 16.929 31.634 1.00 11.82 H new ATOM 0 HA LEU A 85 1.656 16.111 29.051 1.00 12.25 H new ATOM 0 HB2 LEU A 85 -0.719 15.553 30.381 1.00 10.44 H new ATOM 0 HB3 LEU A 85 -0.352 15.102 28.934 1.00 10.44 H new ATOM 0 HG LEU A 85 0.886 14.017 31.252 1.00 10.57 H new ATOM 0 HD11 LEU A 85 -0.330 12.075 30.824 1.00 8.84 H new ATOM 0 HD12 LEU A 85 -1.326 13.280 31.081 1.00 8.84 H new ATOM 0 HD13 LEU A 85 -1.048 12.783 29.603 1.00 8.84 H new ATOM 0 HD21 LEU A 85 1.887 12.519 29.722 1.00 9.25 H new ATOM 0 HD22 LEU A 85 1.162 13.258 28.524 1.00 9.25 H new ATOM 0 HD23 LEU A 85 2.293 14.003 29.345 1.00 9.25 H new ATOM 670 N ASP A 86 0.659 18.806 29.851 1.00 13.34 N ATOM 671 CA ASP A 86 0.134 20.144 29.425 1.00 14.24 C ATOM 672 C ASP A 86 1.038 20.650 28.295 1.00 14.26 C ATOM 673 O ASP A 86 2.138 20.100 28.084 1.00 13.77 O ATOM 674 CB ASP A 86 0.182 21.047 30.646 1.00 17.10 C ATOM 675 CG ASP A 86 -0.649 22.306 30.498 1.00 19.20 C ATOM 676 OD1 ASP A 86 -1.023 22.671 29.361 1.00 20.38 O ATOM 677 OD2 ASP A 86 -0.909 22.906 31.535 1.00 19.84 O ATOM 0 H ASP A 86 1.163 18.833 30.548 1.00 13.34 H new ATOM 0 HA ASP A 86 -0.778 20.114 29.096 1.00 14.24 H new ATOM 0 HB2 ASP A 86 -0.130 20.551 31.419 1.00 17.10 H new ATOM 0 HB3 ASP A 86 1.103 21.295 30.821 1.00 17.10 H new ATOM 678 N ASP A 87 0.629 21.697 27.625 1.00 14.32 N ATOM 679 CA ASP A 87 1.354 22.342 26.520 1.00 15.23 C ATOM 680 C ASP A 87 2.566 23.171 26.941 1.00 14.81 C ATOM 681 O ASP A 87 3.375 23.560 26.067 1.00 15.78 O ATOM 682 CB ASP A 87 0.358 23.141 25.678 1.00 15.34 C ATOM 683 CG ASP A 87 -0.582 22.335 24.830 1.00 17.33 C ATOM 684 OD1 ASP A 87 -0.489 21.097 24.711 1.00 17.01 O ATOM 685 OD2 ASP A 87 -1.470 22.991 24.224 1.00 17.49 O ATOM 0 H ASP A 87 -0.119 22.085 27.799 1.00 14.32 H new ATOM 0 HA ASP A 87 1.749 21.637 25.984 1.00 15.23 H new ATOM 0 HB2 ASP A 87 -0.168 23.698 26.273 1.00 15.34 H new ATOM 0 HB3 ASP A 87 0.857 23.738 25.099 1.00 15.34 H new ATOM 686 N ASN A 88 2.684 23.447 28.198 1.00 14.43 N ATOM 687 CA ASN A 88 3.723 24.234 28.883 1.00 14.58 C ATOM 688 C ASN A 88 4.742 23.212 29.441 1.00 13.80 C ATOM 689 O ASN A 88 4.273 22.226 30.004 1.00 13.81 O ATOM 690 CB ASN A 88 3.096 25.034 30.012 1.00 17.18 C ATOM 691 CG ASN A 88 4.052 25.586 31.033 1.00 18.18 C ATOM 692 OD1 ASN A 88 4.165 25.074 32.152 1.00 19.92 O ATOM 693 ND2 ASN A 88 4.759 26.685 30.717 1.00 21.42 N ATOM 0 H ASN A 88 2.102 23.155 28.760 1.00 14.43 H new ATOM 0 HA ASN A 88 4.155 24.862 28.283 1.00 14.58 H new ATOM 0 HB2 ASN A 88 2.600 25.773 29.626 1.00 17.18 H new ATOM 0 HB3 ASN A 88 2.453 24.469 30.468 1.00 17.18 H new ATOM 0 HD21 ASN A 88 5.292 27.034 31.294 1.00 21.42 H new ATOM 0 HD22 ASN A 88 4.678 27.039 29.937 1.00 21.42 H new ATOM 694 N ILE A 89 6.023 23.479 29.341 1.00 11.81 N ATOM 695 CA ILE A 89 7.013 22.484 29.836 1.00 10.24 C ATOM 696 C ILE A 89 7.751 22.979 31.057 1.00 9.82 C ATOM 697 O ILE A 89 8.812 22.444 31.370 1.00 9.90 O ATOM 698 CB ILE A 89 7.889 22.090 28.608 1.00 10.33 C ATOM 699 CG1 ILE A 89 8.741 23.299 28.117 1.00 10.14 C ATOM 700 CG2 ILE A 89 7.034 21.539 27.454 1.00 9.03 C ATOM 701 CD1 ILE A 89 9.673 23.030 26.912 1.00 10.75 C ATOM 0 H ILE A 89 6.355 24.198 29.006 1.00 11.81 H new ATOM 0 HA ILE A 89 6.595 21.677 30.174 1.00 10.24 H new ATOM 0 HB ILE A 89 8.489 21.386 28.900 1.00 10.33 H new ATOM 0 HG12 ILE A 89 8.138 24.022 27.881 1.00 10.14 H new ATOM 0 HG13 ILE A 89 9.283 23.612 28.858 1.00 10.14 H new ATOM 0 HG21 ILE A 89 7.609 21.304 26.709 1.00 9.03 H new ATOM 0 HG22 ILE A 89 6.556 20.750 27.754 1.00 9.03 H new ATOM 0 HG23 ILE A 89 6.398 22.214 27.171 1.00 9.03 H new ATOM 0 HD11 ILE A 89 10.155 23.841 26.688 1.00 10.75 H new ATOM 0 HD12 ILE A 89 10.306 22.332 27.142 1.00 10.75 H new ATOM 0 HD13 ILE A 89 9.144 22.748 26.150 1.00 10.75 H new ATOM 702 N ALA A 90 7.188 23.955 31.745 1.00 8.77 N ATOM 703 CA ALA A 90 7.885 24.479 32.953 1.00 9.44 C ATOM 704 C ALA A 90 8.076 23.344 33.959 1.00 9.19 C ATOM 705 O ALA A 90 9.140 23.235 34.590 1.00 8.87 O ATOM 706 CB ALA A 90 7.123 25.639 33.544 1.00 9.39 C ATOM 0 H ALA A 90 6.436 24.327 31.557 1.00 8.77 H new ATOM 0 HA ALA A 90 8.761 24.815 32.706 1.00 9.44 H new ATOM 0 HB1 ALA A 90 7.590 25.967 34.328 1.00 9.39 H new ATOM 0 HB2 ALA A 90 7.055 26.350 32.888 1.00 9.39 H new ATOM 0 HB3 ALA A 90 6.233 25.347 33.797 1.00 9.39 H new ATOM 707 N ASP A 91 7.041 22.536 34.115 1.00 10.53 N ATOM 708 CA ASP A 91 7.050 21.378 35.040 1.00 10.55 C ATOM 709 C ASP A 91 7.974 20.264 34.541 1.00 10.41 C ATOM 710 O ASP A 91 8.664 19.639 35.370 1.00 8.76 O ATOM 711 CB ASP A 91 5.629 20.897 35.322 1.00 12.86 C ATOM 712 CG ASP A 91 4.851 21.762 36.315 1.00 14.69 C ATOM 713 OD1 ASP A 91 5.454 22.433 37.173 1.00 14.97 O ATOM 714 OD2 ASP A 91 3.612 21.792 36.296 1.00 16.58 O ATOM 0 H ASP A 91 6.300 22.633 33.690 1.00 10.53 H new ATOM 0 HA ASP A 91 7.420 21.668 35.889 1.00 10.55 H new ATOM 0 HB2 ASP A 91 5.139 20.865 34.486 1.00 12.86 H new ATOM 0 HB3 ASP A 91 5.669 19.990 35.663 1.00 12.86 H new ATOM 715 N ASP A 92 7.976 19.992 33.250 1.00 9.41 N ATOM 716 CA ASP A 92 8.849 18.957 32.667 1.00 9.11 C ATOM 717 C ASP A 92 10.316 19.329 32.906 1.00 8.30 C ATOM 718 O ASP A 92 11.178 18.491 33.201 1.00 6.45 O ATOM 719 CB ASP A 92 8.602 18.761 31.177 1.00 8.78 C ATOM 720 CG ASP A 92 7.147 18.506 30.828 1.00 11.22 C ATOM 721 OD1 ASP A 92 6.352 19.457 31.065 1.00 11.43 O ATOM 722 OD2 ASP A 92 6.811 17.451 30.283 1.00 10.35 O ATOM 0 H ASP A 92 7.477 20.395 32.677 1.00 9.41 H new ATOM 0 HA ASP A 92 8.640 18.118 33.106 1.00 9.11 H new ATOM 0 HB2 ASP A 92 8.907 19.549 30.700 1.00 8.78 H new ATOM 0 HB3 ASP A 92 9.137 18.015 30.864 1.00 8.78 H new ATOM 723 N VAL A 93 10.585 20.630 32.693 1.00 7.22 N ATOM 724 CA VAL A 93 11.938 21.138 32.862 1.00 5.80 C ATOM 725 C VAL A 93 12.373 21.084 34.317 1.00 6.25 C ATOM 726 O VAL A 93 13.533 20.656 34.518 1.00 6.24 O ATOM 727 CB VAL A 93 12.128 22.523 32.211 1.00 5.99 C ATOM 728 CG1 VAL A 93 13.353 23.206 32.777 1.00 8.02 C ATOM 729 CG2 VAL A 93 12.231 22.349 30.679 1.00 6.65 C ATOM 0 H VAL A 93 10.003 21.217 32.455 1.00 7.22 H new ATOM 0 HA VAL A 93 12.537 20.547 32.379 1.00 5.80 H new ATOM 0 HB VAL A 93 11.365 23.089 32.408 1.00 5.99 H new ATOM 0 HG11 VAL A 93 13.461 24.075 32.360 1.00 8.02 H new ATOM 0 HG12 VAL A 93 13.248 23.318 33.735 1.00 8.02 H new ATOM 0 HG13 VAL A 93 14.137 22.663 32.600 1.00 8.02 H new ATOM 0 HG21 VAL A 93 12.351 23.217 30.262 1.00 6.65 H new ATOM 0 HG22 VAL A 93 12.989 21.782 30.468 1.00 6.65 H new ATOM 0 HG23 VAL A 93 11.418 21.939 30.344 1.00 6.65 H new ATOM 730 N ALA A 94 11.547 21.516 35.256 1.00 5.85 N ATOM 731 CA ALA A 94 11.930 21.447 36.677 1.00 5.83 C ATOM 732 C ALA A 94 12.182 19.973 37.073 1.00 7.47 C ATOM 733 O ALA A 94 13.117 19.763 37.854 1.00 8.11 O ATOM 734 CB ALA A 94 10.888 22.045 37.567 1.00 5.62 C ATOM 0 H ALA A 94 10.769 21.850 35.105 1.00 5.85 H new ATOM 0 HA ALA A 94 12.742 21.965 36.793 1.00 5.83 H new ATOM 0 HB1 ALA A 94 11.176 21.981 38.491 1.00 5.62 H new ATOM 0 HB2 ALA A 94 10.759 22.977 37.333 1.00 5.62 H new ATOM 0 HB3 ALA A 94 10.052 21.565 37.455 1.00 5.62 H new ATOM 735 N CYS A 95 11.391 19.051 36.546 1.00 7.12 N ATOM 736 CA CYS A 95 11.596 17.613 36.877 1.00 6.77 C ATOM 737 C CYS A 95 12.847 17.068 36.200 1.00 6.01 C ATOM 738 O CYS A 95 13.605 16.347 36.862 1.00 7.02 O ATOM 739 CB CYS A 95 10.318 16.813 36.624 1.00 7.26 C ATOM 740 SG CYS A 95 10.355 15.085 37.159 1.00 8.37 S ATOM 0 H CYS A 95 10.741 19.213 36.006 1.00 7.12 H new ATOM 0 HA CYS A 95 11.770 17.517 37.826 1.00 6.77 H new ATOM 0 HB2 CYS A 95 9.583 17.258 37.074 1.00 7.26 H new ATOM 0 HB3 CYS A 95 10.124 16.836 35.674 1.00 7.26 H new ATOM 741 N ALA A 96 13.088 17.323 34.925 1.00 6.17 N ATOM 742 CA ALA A 96 14.257 16.846 34.203 1.00 6.87 C ATOM 743 C ALA A 96 15.519 17.317 34.929 1.00 8.45 C ATOM 744 O ALA A 96 16.515 16.574 34.983 1.00 8.45 O ATOM 745 CB ALA A 96 14.229 17.378 32.763 1.00 7.63 C ATOM 0 H ALA A 96 12.558 17.794 34.438 1.00 6.17 H new ATOM 0 HA ALA A 96 14.254 15.877 34.170 1.00 6.87 H new ATOM 0 HB1 ALA A 96 15.010 17.058 32.284 1.00 7.63 H new ATOM 0 HB2 ALA A 96 13.426 17.065 32.318 1.00 7.63 H new ATOM 0 HB3 ALA A 96 14.233 18.348 32.776 1.00 7.63 H new ATOM 746 N LYS A 97 15.456 18.520 35.473 1.00 8.19 N ATOM 747 CA LYS A 97 16.562 19.131 36.214 1.00 8.96 C ATOM 748 C LYS A 97 16.820 18.266 37.448 1.00 8.59 C ATOM 749 O LYS A 97 17.969 17.957 37.803 1.00 8.79 O ATOM 750 CB LYS A 97 16.276 20.587 36.601 1.00 8.65 C ATOM 751 CG LYS A 97 16.476 21.617 35.489 1.00 9.39 C ATOM 752 CD LYS A 97 16.103 23.047 35.898 1.00 8.33 C ATOM 753 CE LYS A 97 16.408 24.037 34.777 1.00 9.64 C ATOM 754 NZ LYS A 97 15.783 25.345 35.078 1.00 9.82 N ATOM 0 H LYS A 97 14.758 19.020 35.425 1.00 8.19 H new ATOM 0 HA LYS A 97 17.350 19.165 35.649 1.00 8.96 H new ATOM 0 HB2 LYS A 97 15.360 20.648 36.915 1.00 8.65 H new ATOM 0 HB3 LYS A 97 16.848 20.825 37.347 1.00 8.65 H new ATOM 0 HG2 LYS A 97 17.404 21.601 35.208 1.00 9.39 H new ATOM 0 HG3 LYS A 97 15.943 21.359 34.721 1.00 9.39 H new ATOM 0 HD2 LYS A 97 15.160 23.087 36.121 1.00 8.33 H new ATOM 0 HD3 LYS A 97 16.594 23.297 36.696 1.00 8.33 H new ATOM 0 HE2 LYS A 97 17.367 24.142 34.680 1.00 9.64 H new ATOM 0 HE3 LYS A 97 16.073 23.696 33.933 1.00 9.64 H new ATOM 0 HZ1 LYS A 97 15.680 25.806 34.324 1.00 9.82 H new ATOM 0 HZ2 LYS A 97 14.988 25.214 35.456 1.00 9.82 H new ATOM 0 HZ3 LYS A 97 16.305 25.802 35.636 1.00 9.82 H new ATOM 755 N ARG A 98 15.746 17.807 38.055 1.00 8.57 N ATOM 756 CA ARG A 98 15.844 16.919 39.251 1.00 9.20 C ATOM 757 C ARG A 98 16.453 15.572 38.855 1.00 9.09 C ATOM 758 O ARG A 98 17.334 15.047 39.565 1.00 10.26 O ATOM 759 CB ARG A 98 14.486 16.725 39.932 1.00 9.28 C ATOM 760 CG ARG A 98 14.444 15.619 40.992 1.00 11.83 C ATOM 761 CD ARG A 98 15.237 15.966 42.185 1.00 13.40 C ATOM 762 NE ARG A 98 15.282 14.961 43.232 1.00 15.63 N ATOM 763 CZ ARG A 98 16.030 13.867 43.225 1.00 17.48 C ATOM 764 NH1 ARG A 98 16.874 13.572 42.221 1.00 17.42 N ATOM 765 NH2 ARG A 98 15.981 13.021 44.249 1.00 19.22 N ATOM 0 H ARG A 98 14.941 17.984 37.808 1.00 8.57 H new ATOM 0 HA ARG A 98 16.425 17.351 39.896 1.00 9.20 H new ATOM 0 HB2 ARG A 98 14.225 17.562 40.347 1.00 9.28 H new ATOM 0 HB3 ARG A 98 13.824 16.527 39.252 1.00 9.28 H new ATOM 0 HG2 ARG A 98 13.524 15.457 41.252 1.00 11.83 H new ATOM 0 HG3 ARG A 98 14.781 14.793 40.610 1.00 11.83 H new ATOM 0 HD2 ARG A 98 16.146 16.156 41.904 1.00 13.40 H new ATOM 0 HD3 ARG A 98 14.880 16.785 42.562 1.00 13.40 H new ATOM 0 HE ARG A 98 14.778 15.087 43.918 1.00 15.63 H new ATOM 0 HH11 ARG A 98 16.944 14.103 41.548 1.00 17.42 H new ATOM 0 HH12 ARG A 98 17.344 12.852 42.252 1.00 17.42 H new ATOM 0 HH21 ARG A 98 15.464 13.183 44.917 1.00 19.22 H new ATOM 0 HH22 ARG A 98 16.467 12.311 44.244 1.00 19.22 H new ATOM 766 N VAL A 99 16.010 15.019 37.746 1.00 8.74 N ATOM 767 CA VAL A 99 16.564 13.723 37.294 1.00 9.36 C ATOM 768 C VAL A 99 18.080 13.765 37.151 1.00 9.78 C ATOM 769 O VAL A 99 18.733 12.815 37.600 1.00 10.47 O ATOM 770 CB VAL A 99 15.919 13.289 35.956 1.00 9.79 C ATOM 771 CG1 VAL A 99 16.575 12.026 35.368 1.00 10.38 C ATOM 772 CG2 VAL A 99 14.416 13.134 36.153 1.00 9.70 C ATOM 0 H VAL A 99 15.403 15.355 37.238 1.00 8.74 H new ATOM 0 HA VAL A 99 16.350 13.070 37.979 1.00 9.36 H new ATOM 0 HB VAL A 99 16.074 13.982 35.295 1.00 9.79 H new ATOM 0 HG11 VAL A 99 16.139 11.793 34.533 1.00 10.38 H new ATOM 0 HG12 VAL A 99 17.516 12.196 35.205 1.00 10.38 H new ATOM 0 HG13 VAL A 99 16.484 11.292 35.995 1.00 10.38 H new ATOM 0 HG21 VAL A 99 14.006 12.862 35.317 1.00 9.70 H new ATOM 0 HG22 VAL A 99 14.246 12.461 36.830 1.00 9.70 H new ATOM 0 HG23 VAL A 99 14.038 13.981 36.437 1.00 9.70 H new ATOM 773 N VAL A 100 18.601 14.790 36.482 1.00 10.38 N ATOM 774 CA VAL A 100 20.022 14.938 36.209 1.00 10.31 C ATOM 775 C VAL A 100 20.821 15.276 37.439 1.00 12.14 C ATOM 776 O VAL A 100 22.066 15.238 37.383 1.00 14.46 O ATOM 777 CB VAL A 100 20.307 15.785 34.955 1.00 10.63 C ATOM 778 CG1 VAL A 100 19.670 15.180 33.714 1.00 7.64 C ATOM 779 CG2 VAL A 100 19.941 17.250 35.141 1.00 7.88 C ATOM 0 H VAL A 100 18.124 15.433 36.168 1.00 10.38 H new ATOM 0 HA VAL A 100 20.361 14.064 35.961 1.00 10.31 H new ATOM 0 HB VAL A 100 21.267 15.768 34.818 1.00 10.63 H new ATOM 0 HG11 VAL A 100 19.868 15.736 32.944 1.00 7.64 H new ATOM 0 HG12 VAL A 100 20.026 14.289 33.569 1.00 7.64 H new ATOM 0 HG13 VAL A 100 18.709 15.128 33.836 1.00 7.64 H new ATOM 0 HG21 VAL A 100 20.138 17.739 34.327 1.00 7.88 H new ATOM 0 HG22 VAL A 100 18.995 17.324 35.341 1.00 7.88 H new ATOM 0 HG23 VAL A 100 20.456 17.622 35.874 1.00 7.88 H new ATOM 780 N ARG A 101 20.158 15.556 38.536 1.00 12.81 N ATOM 781 CA ARG A 101 20.864 15.835 39.793 1.00 14.28 C ATOM 782 C ARG A 101 21.382 14.550 40.421 1.00 15.10 C ATOM 783 O ARG A 101 22.267 14.658 41.308 1.00 15.81 O ATOM 784 CB ARG A 101 20.089 16.691 40.785 1.00 13.17 C ATOM 785 CG ARG A 101 20.008 18.131 40.247 1.00 15.32 C ATOM 786 CD ARG A 101 19.798 19.163 41.265 1.00 13.27 C ATOM 787 NE ARG A 101 18.556 19.099 41.996 1.00 14.15 N ATOM 788 CZ ARG A 101 17.397 19.552 41.541 1.00 13.71 C ATOM 789 NH1 ARG A 101 17.278 20.163 40.364 1.00 16.92 N ATOM 790 NH2 ARG A 101 16.309 19.325 42.258 1.00 15.18 N ATOM 0 H ARG A 101 19.300 15.593 38.588 1.00 12.81 H new ATOM 0 HA ARG A 101 21.623 16.387 39.549 1.00 14.28 H new ATOM 0 HB2 ARG A 101 19.198 16.331 40.914 1.00 13.17 H new ATOM 0 HB3 ARG A 101 20.527 16.681 41.650 1.00 13.17 H new ATOM 0 HG2 ARG A 101 20.828 18.330 39.769 1.00 15.32 H new ATOM 0 HG3 ARG A 101 19.285 18.180 39.602 1.00 15.32 H new ATOM 0 HD2 ARG A 101 20.528 19.115 41.902 1.00 13.27 H new ATOM 0 HD3 ARG A 101 19.853 20.030 40.835 1.00 13.27 H new ATOM 0 HE ARG A 101 18.569 18.743 42.779 1.00 14.15 H new ATOM 0 HH11 ARG A 101 17.970 20.277 39.867 1.00 16.92 H new ATOM 0 HH12 ARG A 101 16.509 20.444 40.101 1.00 16.92 H new ATOM 0 HH21 ARG A 101 16.365 18.893 42.999 1.00 15.18 H new ATOM 0 HH22 ARG A 101 15.546 19.609 41.983 1.00 15.18 H new ATOM 791 N ASP A 102 20.924 13.396 39.965 1.00 16.39 N ATOM 792 CA ASP A 102 21.427 12.092 40.490 1.00 16.29 C ATOM 793 C ASP A 102 22.708 11.753 39.702 1.00 16.14 C ATOM 794 O ASP A 102 22.876 12.172 38.554 1.00 15.42 O ATOM 795 CB ASP A 102 20.419 10.984 40.290 1.00 18.19 C ATOM 796 CG ASP A 102 19.298 10.809 41.267 1.00 19.23 C ATOM 797 OD1 ASP A 102 19.148 11.609 42.198 1.00 19.30 O ATOM 798 OD2 ASP A 102 18.536 9.830 41.111 1.00 20.78 O ATOM 0 H ASP A 102 20.323 13.325 39.353 1.00 16.39 H new ATOM 0 HA ASP A 102 21.593 12.168 41.443 1.00 16.29 H new ATOM 0 HB2 ASP A 102 20.022 11.110 39.414 1.00 18.19 H new ATOM 0 HB3 ASP A 102 20.910 10.148 40.261 1.00 18.19 H new ATOM 799 N PRO A 103 23.574 10.974 40.319 1.00 17.31 N ATOM 800 CA PRO A 103 24.844 10.567 39.703 1.00 17.52 C ATOM 801 C PRO A 103 24.730 10.208 38.241 1.00 17.75 C ATOM 802 O PRO A 103 25.586 10.678 37.458 1.00 18.73 O ATOM 803 CB PRO A 103 25.362 9.393 40.533 1.00 17.72 C ATOM 804 CG PRO A 103 24.397 9.215 41.661 1.00 17.63 C ATOM 805 CD PRO A 103 23.478 10.431 41.685 1.00 17.77 C ATOM 0 HA PRO A 103 25.461 11.315 39.709 1.00 17.52 H new ATOM 0 HB2 PRO A 103 25.418 8.588 39.995 1.00 17.72 H new ATOM 0 HB3 PRO A 103 26.255 9.573 40.867 1.00 17.72 H new ATOM 0 HG2 PRO A 103 23.882 8.402 41.542 1.00 17.63 H new ATOM 0 HG3 PRO A 103 24.871 9.130 42.503 1.00 17.63 H new ATOM 0 HD2 PRO A 103 22.567 10.184 41.906 1.00 17.77 H new ATOM 0 HD3 PRO A 103 23.764 11.080 42.347 1.00 17.77 H new ATOM 806 N GLN A 104 23.748 9.405 37.848 1.00 17.99 N ATOM 807 CA GLN A 104 23.600 9.012 36.441 1.00 17.20 C ATOM 808 C GLN A 104 23.489 10.190 35.470 1.00 17.07 C ATOM 809 O GLN A 104 23.909 10.078 34.286 1.00 15.89 O ATOM 810 CB GLN A 104 22.412 8.072 36.243 1.00 20.56 C ATOM 811 CG GLN A 104 22.800 6.613 36.193 1.00 24.64 C ATOM 812 CD GLN A 104 21.795 5.757 35.425 1.00 26.28 C ATOM 813 OE1 GLN A 104 20.653 5.601 35.862 1.00 26.77 O ATOM 814 NE2 GLN A 104 22.262 5.209 34.301 1.00 27.11 N ATOM 0 H GLN A 104 23.155 9.074 38.376 1.00 17.99 H new ATOM 0 HA GLN A 104 24.424 8.548 36.227 1.00 17.20 H new ATOM 0 HB2 GLN A 104 21.779 8.206 36.965 1.00 20.56 H new ATOM 0 HB3 GLN A 104 21.957 8.307 35.419 1.00 20.56 H new ATOM 0 HG2 GLN A 104 23.673 6.529 35.778 1.00 24.64 H new ATOM 0 HG3 GLN A 104 22.882 6.274 37.098 1.00 24.64 H new ATOM 0 HE21 GLN A 104 23.072 5.360 34.053 1.00 27.11 H new ATOM 0 HE22 GLN A 104 21.753 4.705 33.825 1.00 27.11 H new ATOM 815 N GLY A 105 22.900 11.285 35.934 1.00 15.86 N ATOM 816 CA GLY A 105 22.761 12.455 35.020 1.00 14.31 C ATOM 817 C GLY A 105 21.811 12.043 33.902 1.00 13.70 C ATOM 818 O GLY A 105 20.853 11.301 34.130 1.00 14.65 O ATOM 0 H GLY A 105 22.584 11.387 36.727 1.00 15.86 H new ATOM 0 HA2 GLY A 105 22.414 13.224 35.499 1.00 14.31 H new ATOM 0 HA3 GLY A 105 23.624 12.712 34.659 1.00 14.31 H new ATOM 819 N ILE A 106 22.123 12.547 32.740 1.00 13.16 N ATOM 820 CA ILE A 106 21.364 12.323 31.511 1.00 14.52 C ATOM 821 C ILE A 106 21.423 10.880 31.020 1.00 14.62 C ATOM 822 O ILE A 106 20.585 10.512 30.176 1.00 15.08 O ATOM 823 CB ILE A 106 21.803 13.383 30.441 1.00 12.89 C ATOM 824 CG1 ILE A 106 20.694 13.495 29.376 1.00 14.55 C ATOM 825 CG2 ILE A 106 23.201 13.096 29.859 1.00 13.20 C ATOM 826 CD1 ILE A 106 20.572 14.865 28.683 1.00 9.72 C ATOM 0 H ILE A 106 22.809 13.052 32.625 1.00 13.16 H new ATOM 0 HA ILE A 106 20.421 12.455 31.695 1.00 14.52 H new ATOM 0 HB ILE A 106 21.904 14.249 30.865 1.00 12.89 H new ATOM 0 HG12 ILE A 106 20.851 12.820 28.697 1.00 14.55 H new ATOM 0 HG13 ILE A 106 19.844 13.285 29.794 1.00 14.55 H new ATOM 0 HG21 ILE A 106 23.425 13.776 29.205 1.00 13.20 H new ATOM 0 HG22 ILE A 106 23.857 13.106 30.573 1.00 13.20 H new ATOM 0 HG23 ILE A 106 23.201 12.225 29.432 1.00 13.20 H new ATOM 0 HD11 ILE A 106 19.852 14.837 28.034 1.00 9.72 H new ATOM 0 HD12 ILE A 106 20.383 15.547 29.346 1.00 9.72 H new ATOM 0 HD13 ILE A 106 21.405 15.075 28.232 1.00 9.72 H new ATOM 827 N ARG A 107 22.346 10.104 31.534 1.00 15.59 N ATOM 828 CA ARG A 107 22.496 8.680 31.177 1.00 17.16 C ATOM 829 C ARG A 107 21.281 7.891 31.660 1.00 16.68 C ATOM 830 O ARG A 107 21.081 6.746 31.221 1.00 18.59 O ATOM 831 CB ARG A 107 23.815 8.055 31.722 1.00 18.32 C ATOM 832 CG ARG A 107 25.022 8.642 31.002 1.00 21.09 C ATOM 833 CD ARG A 107 26.365 8.300 31.476 1.00 25.75 C ATOM 834 NE ARG A 107 26.863 8.667 32.771 1.00 28.49 N ATOM 835 CZ ARG A 107 26.891 9.843 33.399 1.00 29.71 C ATOM 836 NH1 ARG A 107 26.435 10.978 32.847 1.00 31.25 N ATOM 837 NH2 ARG A 107 27.386 9.976 34.631 1.00 29.82 N ATOM 0 H ARG A 107 22.922 10.377 32.112 1.00 15.59 H new ATOM 0 HA ARG A 107 22.550 8.630 30.210 1.00 17.16 H new ATOM 0 HB2 ARG A 107 23.888 8.221 32.675 1.00 18.32 H new ATOM 0 HB3 ARG A 107 23.797 7.093 31.602 1.00 18.32 H new ATOM 0 HG2 ARG A 107 24.964 8.379 30.070 1.00 21.09 H new ATOM 0 HG3 ARG A 107 24.939 9.608 31.030 1.00 21.09 H new ATOM 0 HD2 ARG A 107 26.438 7.334 31.419 1.00 25.75 H new ATOM 0 HD3 ARG A 107 26.986 8.670 30.829 1.00 25.75 H new ATOM 0 HE ARG A 107 27.202 8.016 33.219 1.00 28.49 H new ATOM 0 HH11 ARG A 107 26.106 10.968 32.053 1.00 31.25 H new ATOM 0 HH12 ARG A 107 26.472 11.716 33.288 1.00 31.25 H new ATOM 0 HH21 ARG A 107 27.700 9.290 35.045 1.00 29.82 H new ATOM 0 HH22 ARG A 107 27.391 10.747 35.011 1.00 29.82 H new ATOM 838 N ALA A 108 20.487 8.450 32.521 1.00 15.96 N ATOM 839 CA ALA A 108 19.263 7.904 33.114 1.00 16.07 C ATOM 840 C ALA A 108 18.280 7.496 32.023 1.00 16.33 C ATOM 841 O ALA A 108 17.436 6.587 32.178 1.00 16.63 O ATOM 842 CB ALA A 108 18.692 8.920 34.085 1.00 16.53 C ATOM 0 H ALA A 108 20.650 9.241 32.816 1.00 15.96 H new ATOM 0 HA ALA A 108 19.457 7.096 33.615 1.00 16.07 H new ATOM 0 HB1 ALA A 108 17.881 8.567 34.483 1.00 16.53 H new ATOM 0 HB2 ALA A 108 19.341 9.102 34.782 1.00 16.53 H new ATOM 0 HB3 ALA A 108 18.488 9.742 33.611 1.00 16.53 H new ATOM 843 N TRP A 109 18.428 8.171 30.883 1.00 14.94 N ATOM 844 CA TRP A 109 17.617 7.920 29.693 1.00 13.88 C ATOM 845 C TRP A 109 18.447 7.084 28.730 1.00 13.58 C ATOM 846 O TRP A 109 19.430 7.653 28.206 1.00 14.33 O ATOM 847 CB TRP A 109 17.228 9.232 29.017 1.00 11.44 C ATOM 848 CG TRP A 109 16.073 9.948 29.596 1.00 9.76 C ATOM 849 CD1 TRP A 109 14.761 9.658 29.466 1.00 8.60 C ATOM 850 CD2 TRP A 109 16.139 11.145 30.416 1.00 10.16 C ATOM 851 NE1 TRP A 109 13.994 10.596 30.131 1.00 10.34 N ATOM 852 CE2 TRP A 109 14.821 11.500 30.721 1.00 10.20 C ATOM 853 CE3 TRP A 109 17.208 11.895 30.907 1.00 11.65 C ATOM 854 CZ2 TRP A 109 14.532 12.602 31.516 1.00 10.95 C ATOM 855 CZ3 TRP A 109 16.940 13.012 31.677 1.00 12.19 C ATOM 856 CH2 TRP A 109 15.604 13.356 31.983 1.00 12.17 C ATOM 0 H TRP A 109 19.010 8.795 30.779 1.00 14.94 H new ATOM 0 HA TRP A 109 16.803 7.456 29.945 1.00 13.88 H new ATOM 0 HB2 TRP A 109 17.996 9.825 29.038 1.00 11.44 H new ATOM 0 HB3 TRP A 109 17.036 9.049 28.084 1.00 11.44 H new ATOM 0 HD1 TRP A 109 14.422 8.931 28.996 1.00 8.60 H new ATOM 0 HE1 TRP A 109 13.135 10.606 30.166 1.00 10.34 H new ATOM 0 HE3 TRP A 109 18.085 11.648 30.720 1.00 11.65 H new ATOM 0 HZ2 TRP A 109 13.655 12.827 31.728 1.00 10.95 H new ATOM 0 HZ3 TRP A 109 17.639 13.537 31.994 1.00 12.19 H new ATOM 0 HH2 TRP A 109 15.437 14.104 32.509 1.00 12.17 H new ATOM 857 N VAL A 110 18.078 5.832 28.500 1.00 14.13 N ATOM 858 CA VAL A 110 18.901 5.024 27.547 1.00 14.46 C ATOM 859 C VAL A 110 18.914 5.600 26.159 1.00 12.29 C ATOM 860 O VAL A 110 19.958 5.457 25.465 1.00 13.15 O ATOM 861 CB VAL A 110 18.479 3.530 27.576 1.00 16.65 C ATOM 862 CG1 VAL A 110 17.311 3.258 26.628 1.00 18.35 C ATOM 863 CG2 VAL A 110 19.626 2.593 27.211 1.00 18.31 C ATOM 0 H VAL A 110 17.402 5.433 28.850 1.00 14.13 H new ATOM 0 HA VAL A 110 19.821 5.068 27.850 1.00 14.46 H new ATOM 0 HB VAL A 110 18.209 3.353 28.491 1.00 16.65 H new ATOM 0 HG11 VAL A 110 17.072 2.319 26.669 1.00 18.35 H new ATOM 0 HG12 VAL A 110 16.548 3.797 26.891 1.00 18.35 H new ATOM 0 HG13 VAL A 110 17.570 3.486 25.721 1.00 18.35 H new ATOM 0 HG21 VAL A 110 19.316 1.674 27.243 1.00 18.31 H new ATOM 0 HG22 VAL A 110 19.939 2.798 26.316 1.00 18.31 H new ATOM 0 HG23 VAL A 110 20.353 2.710 27.842 1.00 18.31 H new ATOM 864 N ALA A 111 17.857 6.182 25.657 1.00 11.09 N ATOM 865 CA ALA A 111 17.876 6.736 24.294 1.00 10.29 C ATOM 866 C ALA A 111 18.988 7.767 24.099 1.00 10.32 C ATOM 867 O ALA A 111 19.456 7.990 22.970 1.00 10.29 O ATOM 868 CB ALA A 111 16.544 7.413 23.987 1.00 10.70 C ATOM 0 H ALA A 111 17.111 6.276 26.074 1.00 11.09 H new ATOM 0 HA ALA A 111 18.036 5.991 23.694 1.00 10.29 H new ATOM 0 HB1 ALA A 111 16.565 7.775 23.087 1.00 10.70 H new ATOM 0 HB2 ALA A 111 15.827 6.764 24.057 1.00 10.70 H new ATOM 0 HB3 ALA A 111 16.392 8.131 24.621 1.00 10.70 H new ATOM 869 N TRP A 112 19.382 8.406 25.216 1.00 10.38 N ATOM 870 CA TRP A 112 20.428 9.440 25.119 1.00 9.42 C ATOM 871 C TRP A 112 21.741 8.743 24.745 1.00 10.23 C ATOM 872 O TRP A 112 22.525 9.212 23.912 1.00 8.19 O ATOM 873 CB TRP A 112 20.502 10.302 26.362 1.00 11.05 C ATOM 874 CG TRP A 112 21.543 11.364 26.228 1.00 11.58 C ATOM 875 CD1 TRP A 112 21.371 12.596 25.671 1.00 11.51 C ATOM 876 CD2 TRP A 112 22.923 11.271 26.606 1.00 12.69 C ATOM 877 NE1 TRP A 112 22.543 13.297 25.720 1.00 12.17 N ATOM 878 CE2 TRP A 112 23.516 12.524 26.276 1.00 12.31 C ATOM 879 CE3 TRP A 112 23.714 10.288 27.184 1.00 11.86 C ATOM 880 CZ2 TRP A 112 24.869 12.785 26.493 1.00 11.45 C ATOM 881 CZ3 TRP A 112 25.057 10.547 27.415 1.00 11.83 C ATOM 882 CH2 TRP A 112 25.621 11.789 27.089 1.00 12.12 C ATOM 0 H TRP A 112 19.072 8.264 26.005 1.00 10.38 H new ATOM 0 HA TRP A 112 20.215 10.078 24.420 1.00 9.42 H new ATOM 0 HB2 TRP A 112 19.638 10.712 26.525 1.00 11.05 H new ATOM 0 HB3 TRP A 112 20.702 9.746 27.132 1.00 11.05 H new ATOM 0 HD1 TRP A 112 20.574 12.913 25.311 1.00 11.51 H new ATOM 0 HE1 TRP A 112 22.650 14.104 25.442 1.00 12.17 H new ATOM 0 HE3 TRP A 112 23.348 9.465 27.414 1.00 11.86 H new ATOM 0 HZ2 TRP A 112 25.250 13.597 26.247 1.00 11.45 H new ATOM 0 HZ3 TRP A 112 25.592 9.886 27.792 1.00 11.83 H new ATOM 0 HH2 TRP A 112 26.518 11.946 27.277 1.00 12.12 H new ATOM 883 N ARG A 113 21.965 7.615 25.417 1.00 11.33 N ATOM 884 CA ARG A 113 23.183 6.805 25.143 1.00 11.66 C ATOM 885 C ARG A 113 23.097 6.245 23.730 1.00 11.10 C ATOM 886 O ARG A 113 24.107 6.326 23.000 1.00 11.20 O ATOM 887 CB ARG A 113 23.422 5.671 26.120 1.00 13.22 C ATOM 888 CG ARG A 113 23.487 6.043 27.588 1.00 16.89 C ATOM 889 CD ARG A 113 23.544 4.793 28.402 1.00 19.68 C ATOM 890 NE ARG A 113 22.533 4.884 29.449 1.00 24.62 N ATOM 891 CZ ARG A 113 22.213 3.868 30.257 1.00 25.79 C ATOM 892 NH1 ARG A 113 22.842 2.684 30.216 1.00 25.90 N ATOM 893 NH2 ARG A 113 21.166 4.054 31.063 1.00 27.14 N ATOM 0 H ARG A 113 21.445 7.297 26.024 1.00 11.33 H new ATOM 0 HA ARG A 113 23.937 7.406 25.248 1.00 11.66 H new ATOM 0 HB2 ARG A 113 22.715 5.017 26.004 1.00 13.22 H new ATOM 0 HB3 ARG A 113 24.255 5.235 25.881 1.00 13.22 H new ATOM 0 HG2 ARG A 113 24.268 6.592 27.761 1.00 16.89 H new ATOM 0 HG3 ARG A 113 22.711 6.569 27.835 1.00 16.89 H new ATOM 0 HD2 ARG A 113 23.382 4.017 27.842 1.00 19.68 H new ATOM 0 HD3 ARG A 113 24.425 4.683 28.792 1.00 19.68 H new ATOM 0 HE ARG A 113 22.120 5.631 29.552 1.00 24.62 H new ATOM 0 HH11 ARG A 113 23.480 2.555 29.653 1.00 25.90 H new ATOM 0 HH12 ARG A 113 22.608 2.054 30.752 1.00 25.90 H new ATOM 0 HH21 ARG A 113 20.736 4.798 31.044 1.00 27.14 H new ATOM 0 HH22 ARG A 113 20.921 3.429 31.601 1.00 27.14 H new ATOM 894 N ASN A 114 21.943 5.724 23.308 1.00 11.43 N ATOM 895 CA ASN A 114 21.880 5.156 21.940 1.00 10.45 C ATOM 896 C ASN A 114 21.932 6.157 20.811 1.00 11.07 C ATOM 897 O ASN A 114 22.542 5.879 19.765 1.00 9.42 O ATOM 898 CB ASN A 114 20.553 4.354 21.712 1.00 12.22 C ATOM 899 CG ASN A 114 20.395 3.330 22.819 1.00 12.34 C ATOM 900 OD1 ASN A 114 21.439 2.949 23.334 1.00 14.19 O ATOM 901 ND2 ASN A 114 19.182 2.936 23.144 1.00 12.82 N ATOM 0 H ASN A 114 21.215 5.685 23.765 1.00 11.43 H new ATOM 0 HA ASN A 114 22.676 4.603 21.910 1.00 10.45 H new ATOM 0 HB2 ASN A 114 19.794 4.958 21.704 1.00 12.22 H new ATOM 0 HB3 ASN A 114 20.573 3.913 20.848 1.00 12.22 H new ATOM 0 HD21 ASN A 114 19.071 2.358 23.771 1.00 12.82 H new ATOM 0 HD22 ASN A 114 18.500 3.256 22.729 1.00 12.82 H new ATOM 902 N ARG A 115 21.245 7.286 21.053 1.00 10.74 N ATOM 903 CA ARG A 115 21.097 8.277 19.991 1.00 9.42 C ATOM 904 C ARG A 115 21.858 9.592 20.036 1.00 9.17 C ATOM 905 O ARG A 115 21.919 10.215 18.969 1.00 7.02 O ATOM 906 CB ARG A 115 19.590 8.644 19.898 1.00 13.29 C ATOM 907 CG ARG A 115 18.621 7.452 20.054 1.00 14.34 C ATOM 908 CD ARG A 115 18.393 6.870 18.723 1.00 16.72 C ATOM 909 NE ARG A 115 17.424 5.765 18.654 1.00 18.21 N ATOM 910 CZ ARG A 115 17.219 5.248 17.429 1.00 17.72 C ATOM 911 NH1 ARG A 115 17.867 5.717 16.372 1.00 19.65 N ATOM 912 NH2 ARG A 115 16.337 4.283 17.275 1.00 19.54 N ATOM 0 H ARG A 115 20.871 7.487 21.801 1.00 10.74 H new ATOM 0 HA ARG A 115 21.496 7.819 19.235 1.00 9.42 H new ATOM 0 HB2 ARG A 115 19.387 9.301 20.583 1.00 13.29 H new ATOM 0 HB3 ARG A 115 19.426 9.068 19.041 1.00 13.29 H new ATOM 0 HG2 ARG A 115 18.995 6.788 20.654 1.00 14.34 H new ATOM 0 HG3 ARG A 115 17.783 7.746 20.443 1.00 14.34 H new ATOM 0 HD2 ARG A 115 18.093 7.576 18.129 1.00 16.72 H new ATOM 0 HD3 ARG A 115 19.243 6.552 18.380 1.00 16.72 H new ATOM 0 HE ARG A 115 17.016 5.469 19.351 1.00 18.21 H new ATOM 0 HH11 ARG A 115 18.429 6.362 16.463 1.00 19.65 H new ATOM 0 HH12 ARG A 115 17.726 5.377 15.595 1.00 19.65 H new ATOM 0 HH21 ARG A 115 15.898 3.989 17.954 1.00 19.54 H new ATOM 0 HH22 ARG A 115 16.199 3.947 16.496 1.00 19.54 H new ATOM 913 N CYS A 116 22.339 9.972 21.205 1.00 9.13 N ATOM 914 CA CYS A 116 23.000 11.267 21.322 1.00 10.18 C ATOM 915 C CYS A 116 24.444 11.290 21.793 1.00 11.57 C ATOM 916 O CYS A 116 25.166 12.200 21.359 1.00 12.32 O ATOM 917 CB CYS A 116 22.196 12.094 22.341 1.00 8.26 C ATOM 918 SG CYS A 116 20.431 12.176 22.004 1.00 7.58 S ATOM 0 H CYS A 116 22.298 9.511 21.930 1.00 9.13 H new ATOM 0 HA CYS A 116 23.025 11.608 20.414 1.00 10.18 H new ATOM 0 HB2 CYS A 116 22.328 11.716 23.224 1.00 8.26 H new ATOM 0 HB3 CYS A 116 22.552 12.996 22.362 1.00 8.26 H new ATOM 919 N GLN A 117 24.803 10.390 22.693 1.00 11.21 N ATOM 920 CA GLN A 117 26.166 10.350 23.244 1.00 12.74 C ATOM 921 C GLN A 117 27.225 10.136 22.173 1.00 13.04 C ATOM 922 O GLN A 117 27.086 9.329 21.250 1.00 11.40 O ATOM 923 CB GLN A 117 26.248 9.375 24.408 1.00 13.31 C ATOM 924 CG GLN A 117 27.642 9.235 24.991 1.00 16.52 C ATOM 925 CD GLN A 117 27.663 8.177 26.062 1.00 18.66 C ATOM 926 OE1 GLN A 117 26.705 7.257 26.083 1.00 22.49 O flip ATOM 927 NE2 GLN A 117 28.543 8.162 26.915 1.00 20.29 N flip ATOM 0 H GLN A 117 24.276 9.787 23.005 1.00 11.21 H new ATOM 0 HA GLN A 117 26.371 11.226 23.607 1.00 12.74 H new ATOM 0 HB2 GLN A 117 25.642 9.667 25.107 1.00 13.31 H new ATOM 0 HB3 GLN A 117 25.941 8.504 24.112 1.00 13.31 H new ATOM 0 HG2 GLN A 117 28.270 9.004 24.289 1.00 16.52 H new ATOM 0 HG3 GLN A 117 27.930 10.084 25.362 1.00 16.52 H new ATOM 0 HE21 GLN A 117 29.164 8.757 26.903 1.00 20.29 H new ATOM 0 HE22 GLN A 117 28.540 7.557 27.526 1.00 20.29 H new ATOM 928 N ASN A 118 28.281 10.931 22.311 1.00 13.92 N ATOM 929 CA ASN A 118 29.429 10.970 21.413 1.00 17.03 C ATOM 930 C ASN A 118 29.038 11.202 19.957 1.00 17.14 C ATOM 931 O ASN A 118 29.722 10.715 19.043 1.00 19.79 O ATOM 932 CB ASN A 118 30.360 9.741 21.633 1.00 18.93 C ATOM 933 CG ASN A 118 30.812 9.768 23.090 1.00 20.35 C ATOM 934 OD1 ASN A 118 30.639 8.784 23.823 1.00 23.30 O ATOM 935 ND2 ASN A 118 31.325 10.921 23.499 1.00 20.72 N ATOM 0 H ASN A 118 28.350 11.489 22.962 1.00 13.92 H new ATOM 0 HA ASN A 118 29.954 11.752 21.645 1.00 17.03 H new ATOM 0 HB2 ASN A 118 29.889 8.916 21.436 1.00 18.93 H new ATOM 0 HB3 ASN A 118 31.124 9.780 21.037 1.00 18.93 H new ATOM 0 HD21 ASN A 118 31.561 11.019 24.320 1.00 20.72 H new ATOM 0 HD22 ASN A 118 31.421 11.570 22.943 1.00 20.72 H new ATOM 936 N ARG A 119 27.989 11.949 19.686 1.00 16.65 N ATOM 937 CA ARG A 119 27.557 12.281 18.326 1.00 15.35 C ATOM 938 C ARG A 119 27.686 13.842 18.228 1.00 14.25 C ATOM 939 O ARG A 119 27.780 14.504 19.244 1.00 12.86 O ATOM 940 CB ARG A 119 26.145 11.999 17.905 1.00 18.02 C ATOM 941 CG ARG A 119 25.310 10.852 18.319 1.00 21.95 C ATOM 942 CD ARG A 119 25.198 9.675 17.431 1.00 24.68 C ATOM 943 NE ARG A 119 25.407 9.923 16.034 1.00 28.79 N ATOM 944 CZ ARG A 119 24.691 10.323 15.001 1.00 30.75 C ATOM 945 NH1 ARG A 119 23.383 10.638 15.038 1.00 32.17 N ATOM 946 NH2 ARG A 119 25.308 10.419 13.804 1.00 30.63 N ATOM 0 H ARG A 119 27.489 12.291 20.297 1.00 16.65 H new ATOM 0 HA ARG A 119 28.105 11.718 17.758 1.00 15.35 H new ATOM 0 HB2 ARG A 119 25.639 12.789 18.152 1.00 18.02 H new ATOM 0 HB3 ARG A 119 26.166 11.967 16.936 1.00 18.02 H new ATOM 0 HG2 ARG A 119 25.647 10.540 19.173 1.00 21.95 H new ATOM 0 HG3 ARG A 119 24.413 11.186 18.473 1.00 21.95 H new ATOM 0 HD2 ARG A 119 25.840 9.009 17.723 1.00 24.68 H new ATOM 0 HD3 ARG A 119 24.316 9.288 17.545 1.00 24.68 H new ATOM 0 HE ARG A 119 26.222 9.769 15.808 1.00 28.79 H new ATOM 0 HH11 ARG A 119 22.949 10.585 15.778 1.00 32.17 H new ATOM 0 HH12 ARG A 119 22.981 10.892 14.321 1.00 32.17 H new ATOM 0 HH21 ARG A 119 26.142 10.222 13.733 1.00 30.63 H new ATOM 0 HH22 ARG A 119 24.867 10.677 13.112 1.00 30.63 H new ATOM 947 N ASP A 120 27.690 14.278 16.985 1.00 13.44 N ATOM 948 CA ASP A 120 27.730 15.705 16.616 1.00 13.37 C ATOM 949 C ASP A 120 26.255 16.105 16.864 1.00 12.13 C ATOM 950 O ASP A 120 25.460 15.725 16.015 1.00 14.31 O ATOM 951 CB ASP A 120 28.215 15.872 15.176 1.00 13.05 C ATOM 952 CG ASP A 120 28.180 17.321 14.699 1.00 14.36 C ATOM 953 OD1 ASP A 120 27.897 18.233 15.504 1.00 14.96 O ATOM 954 OD2 ASP A 120 28.462 17.528 13.517 1.00 13.26 O ATOM 0 H ASP A 120 27.669 13.751 16.306 1.00 13.44 H new ATOM 0 HA ASP A 120 28.348 16.265 17.112 1.00 13.37 H new ATOM 0 HB2 ASP A 120 29.122 15.535 15.104 1.00 13.05 H new ATOM 0 HB3 ASP A 120 27.664 15.330 14.590 1.00 13.05 H new ATOM 955 N VAL A 121 25.903 16.713 17.964 1.00 11.85 N ATOM 956 CA VAL A 121 24.489 17.057 18.217 1.00 10.94 C ATOM 957 C VAL A 121 24.140 18.495 17.809 1.00 12.44 C ATOM 958 O VAL A 121 22.981 18.903 18.000 1.00 9.43 O ATOM 959 CB VAL A 121 24.121 16.800 19.700 1.00 11.45 C ATOM 960 CG1 VAL A 121 23.954 15.326 20.059 1.00 11.99 C ATOM 961 CG2 VAL A 121 25.153 17.426 20.613 1.00 10.42 C ATOM 0 H VAL A 121 26.448 16.944 18.588 1.00 11.85 H new ATOM 0 HA VAL A 121 23.956 16.474 17.654 1.00 10.94 H new ATOM 0 HB VAL A 121 23.253 17.214 19.827 1.00 11.45 H new ATOM 0 HG11 VAL A 121 23.725 15.245 20.998 1.00 11.99 H new ATOM 0 HG12 VAL A 121 23.246 14.940 19.520 1.00 11.99 H new ATOM 0 HG13 VAL A 121 24.784 14.855 19.887 1.00 11.99 H new ATOM 0 HG21 VAL A 121 24.912 17.258 21.537 1.00 10.42 H new ATOM 0 HG22 VAL A 121 26.024 17.039 20.431 1.00 10.42 H new ATOM 0 HG23 VAL A 121 25.186 18.383 20.456 1.00 10.42 H new ATOM 962 N ARG A 122 25.081 19.232 17.238 1.00 14.49 N ATOM 963 CA ARG A 122 24.850 20.626 16.836 1.00 15.51 C ATOM 964 C ARG A 122 23.662 20.821 15.932 1.00 16.12 C ATOM 965 O ARG A 122 23.022 21.887 15.969 1.00 15.07 O ATOM 966 CB ARG A 122 26.080 21.260 16.162 1.00 18.99 C ATOM 967 CG ARG A 122 27.383 21.023 16.911 1.00 21.93 C ATOM 968 CD ARG A 122 28.562 21.487 16.146 1.00 24.98 C ATOM 969 NE ARG A 122 28.914 20.626 15.004 1.00 27.07 N ATOM 970 CZ ARG A 122 30.044 20.902 14.313 1.00 29.25 C ATOM 971 NH1 ARG A 122 30.775 21.987 14.616 1.00 29.10 N ATOM 972 NH2 ARG A 122 30.495 20.042 13.394 1.00 27.85 N ATOM 0 H ARG A 122 25.874 18.945 17.070 1.00 14.49 H new ATOM 0 HA ARG A 122 24.666 21.074 17.677 1.00 15.51 H new ATOM 0 HB2 ARG A 122 26.164 20.905 15.263 1.00 18.99 H new ATOM 0 HB3 ARG A 122 25.935 22.215 16.077 1.00 18.99 H new ATOM 0 HG2 ARG A 122 27.352 21.483 17.764 1.00 21.93 H new ATOM 0 HG3 ARG A 122 27.476 20.077 17.103 1.00 21.93 H new ATOM 0 HD2 ARG A 122 28.392 22.385 15.821 1.00 24.98 H new ATOM 0 HD3 ARG A 122 29.323 21.541 16.745 1.00 24.98 H new ATOM 0 HE ARG A 122 28.413 19.963 14.782 1.00 27.07 H new ATOM 0 HH11 ARG A 122 30.525 22.510 15.252 1.00 29.10 H new ATOM 0 HH12 ARG A 122 31.493 22.159 14.174 1.00 29.10 H new ATOM 0 HH21 ARG A 122 30.067 19.312 13.241 1.00 27.85 H new ATOM 0 HH22 ARG A 122 31.213 20.219 12.956 1.00 27.85 H new ATOM 973 N GLN A 123 23.378 19.835 15.103 1.00 15.71 N ATOM 974 CA GLN A 123 22.244 19.916 14.178 1.00 16.40 C ATOM 975 C GLN A 123 20.944 20.293 14.877 1.00 14.93 C ATOM 976 O GLN A 123 20.054 20.922 14.304 1.00 14.99 O ATOM 977 CB GLN A 123 22.063 18.515 13.516 1.00 19.19 C ATOM 978 CG GLN A 123 22.032 17.478 14.647 1.00 22.48 C ATOM 979 CD GLN A 123 21.908 16.085 14.114 1.00 23.42 C ATOM 980 OE1 GLN A 123 20.810 15.604 13.853 1.00 26.41 O ATOM 981 NE2 GLN A 123 23.080 15.478 13.964 1.00 26.09 N ATOM 0 H GLN A 123 23.827 19.103 15.054 1.00 15.71 H new ATOM 0 HA GLN A 123 22.436 20.608 13.526 1.00 16.40 H new ATOM 0 HB2 GLN A 123 21.242 18.484 13.000 1.00 19.19 H new ATOM 0 HB3 GLN A 123 22.791 18.330 12.902 1.00 19.19 H new ATOM 0 HG2 GLN A 123 22.841 17.552 15.177 1.00 22.48 H new ATOM 0 HG3 GLN A 123 21.287 17.666 15.239 1.00 22.48 H new ATOM 0 HE21 GLN A 123 23.807 15.888 14.172 1.00 26.09 H new ATOM 0 HE22 GLN A 123 23.112 14.675 13.659 1.00 26.09 H new ATOM 982 N TYR A 124 20.793 19.857 16.128 1.00 14.63 N ATOM 983 CA TYR A 124 19.554 20.113 16.855 1.00 13.89 C ATOM 984 C TYR A 124 19.376 21.598 17.152 1.00 14.13 C ATOM 985 O TYR A 124 18.193 21.956 17.285 1.00 14.30 O ATOM 986 CB TYR A 124 19.350 19.255 18.115 1.00 13.28 C ATOM 987 CG TYR A 124 19.372 17.774 17.782 1.00 13.94 C ATOM 988 CD1 TYR A 124 18.218 17.142 17.328 1.00 14.96 C ATOM 989 CD2 TYR A 124 20.545 17.016 17.889 1.00 14.73 C ATOM 990 CE1 TYR A 124 18.231 15.780 17.014 1.00 15.31 C ATOM 991 CE2 TYR A 124 20.561 15.655 17.570 1.00 14.82 C ATOM 992 CZ TYR A 124 19.404 15.053 17.129 1.00 15.00 C ATOM 993 OH TYR A 124 19.399 13.717 16.801 1.00 16.69 O ATOM 0 H TYR A 124 21.388 19.417 16.567 1.00 14.63 H new ATOM 0 HA TYR A 124 18.850 19.831 16.250 1.00 13.89 H new ATOM 0 HB2 TYR A 124 20.046 19.454 18.761 1.00 13.28 H new ATOM 0 HB3 TYR A 124 18.504 19.483 18.531 1.00 13.28 H new ATOM 0 HD1 TYR A 124 17.432 17.630 17.233 1.00 14.96 H new ATOM 0 HD2 TYR A 124 21.328 17.426 18.178 1.00 14.73 H new ATOM 0 HE1 TYR A 124 17.451 15.362 16.728 1.00 15.31 H new ATOM 0 HE2 TYR A 124 21.345 15.162 17.655 1.00 14.82 H new ATOM 0 HH TYR A 124 18.824 13.577 16.204 1.00 16.69 H new ATOM 994 N VAL A 125 20.440 22.342 17.255 1.00 14.37 N ATOM 995 CA VAL A 125 20.259 23.795 17.561 1.00 13.96 C ATOM 996 C VAL A 125 20.724 24.694 16.426 1.00 14.83 C ATOM 997 O VAL A 125 20.632 25.940 16.640 1.00 14.60 O ATOM 998 CB VAL A 125 20.996 24.161 18.863 1.00 13.95 C ATOM 999 CG1 VAL A 125 20.477 23.478 20.134 1.00 13.74 C ATOM 1000 CG2 VAL A 125 22.497 23.957 18.710 1.00 12.65 C ATOM 0 H VAL A 125 21.252 22.074 17.162 1.00 14.37 H new ATOM 0 HA VAL A 125 19.307 23.945 17.672 1.00 13.96 H new ATOM 0 HB VAL A 125 20.802 25.102 18.998 1.00 13.95 H new ATOM 0 HG11 VAL A 125 21.001 23.770 20.896 1.00 13.74 H new ATOM 0 HG12 VAL A 125 19.547 23.715 20.272 1.00 13.74 H new ATOM 0 HG13 VAL A 125 20.554 22.516 20.039 1.00 13.74 H new ATOM 0 HG21 VAL A 125 22.942 24.193 19.539 1.00 12.65 H new ATOM 0 HG22 VAL A 125 22.678 23.028 18.499 1.00 12.65 H new ATOM 0 HG23 VAL A 125 22.829 24.521 17.994 1.00 12.65 H new ATOM 1001 N GLN A 126 21.202 24.186 15.310 1.00 15.00 N ATOM 1002 CA GLN A 126 21.697 25.070 14.248 1.00 15.52 C ATOM 1003 C GLN A 126 20.544 25.890 13.670 1.00 14.89 C ATOM 1004 O GLN A 126 19.439 25.461 13.375 1.00 14.98 O ATOM 1005 CB GLN A 126 22.571 24.462 13.177 1.00 19.29 C ATOM 1006 CG GLN A 126 21.919 23.518 12.190 1.00 23.78 C ATOM 1007 CD GLN A 126 22.757 23.259 10.946 1.00 27.24 C ATOM 1008 OE1 GLN A 126 22.933 24.148 10.090 1.00 29.96 O ATOM 1009 NE2 GLN A 126 23.279 22.027 10.830 1.00 28.87 N ATOM 0 H GLN A 126 21.253 23.345 15.138 1.00 15.00 H new ATOM 0 HA GLN A 126 22.332 25.649 14.698 1.00 15.52 H new ATOM 0 HB2 GLN A 126 22.975 25.187 12.675 1.00 19.29 H new ATOM 0 HB3 GLN A 126 23.292 23.984 13.616 1.00 19.29 H new ATOM 0 HG2 GLN A 126 21.741 22.673 12.632 1.00 23.78 H new ATOM 0 HG3 GLN A 126 21.062 23.884 11.922 1.00 23.78 H new ATOM 0 HE21 GLN A 126 23.135 21.440 11.442 1.00 28.87 H new ATOM 0 HE22 GLN A 126 23.757 21.825 10.144 1.00 28.87 H new ATOM 1010 N GLY A 127 20.868 27.164 13.527 1.00 13.95 N ATOM 1011 CA GLY A 127 20.011 28.210 13.016 1.00 12.25 C ATOM 1012 C GLY A 127 18.911 28.659 13.917 1.00 10.64 C ATOM 1013 O GLY A 127 18.061 29.427 13.407 1.00 10.65 O ATOM 0 H GLY A 127 21.648 27.457 13.741 1.00 13.95 H new ATOM 0 HA2 GLY A 127 20.563 28.979 12.802 1.00 12.25 H new ATOM 0 HA3 GLY A 127 19.618 27.903 12.184 1.00 12.25 H new ATOM 1014 N CYS A 128 18.883 28.270 15.178 1.00 10.21 N ATOM 1015 CA CYS A 128 17.789 28.654 16.068 1.00 11.41 C ATOM 1016 C CYS A 128 17.987 29.948 16.848 1.00 12.07 C ATOM 1017 O CYS A 128 17.044 30.365 17.539 1.00 11.06 O ATOM 1018 CB CYS A 128 17.481 27.538 17.095 1.00 10.52 C ATOM 1019 SG CYS A 128 17.034 25.979 16.298 1.00 11.60 S ATOM 0 H CYS A 128 19.488 27.781 15.545 1.00 10.21 H new ATOM 0 HA CYS A 128 17.053 28.800 15.454 1.00 11.41 H new ATOM 0 HB2 CYS A 128 18.256 27.399 17.661 1.00 10.52 H new ATOM 0 HB3 CYS A 128 16.756 27.824 17.672 1.00 10.52 H new ATOM 1020 N GLY A 129 19.188 30.479 16.749 1.00 13.02 N ATOM 1021 CA GLY A 129 19.496 31.724 17.437 1.00 14.97 C ATOM 1022 C GLY A 129 19.671 31.539 18.922 1.00 16.36 C ATOM 1023 O GLY A 129 19.377 32.501 19.660 1.00 16.86 O ATOM 0 H GLY A 129 19.836 30.143 16.295 1.00 13.02 H new ATOM 0 HA2 GLY A 129 20.307 32.103 17.064 1.00 14.97 H new ATOM 0 HA3 GLY A 129 18.784 32.363 17.276 1.00 14.97 H new ATOM 1024 N VAL A 130 20.121 30.391 19.360 1.00 16.53 N ATOM 1025 CA VAL A 130 20.365 30.154 20.801 1.00 18.08 C ATOM 1026 C VAL A 130 21.889 30.073 20.991 1.00 19.43 C ATOM 1027 O VAL A 130 22.576 29.813 19.982 1.00 20.53 O ATOM 1028 CB VAL A 130 19.624 28.922 21.341 1.00 17.47 C ATOM 1029 CG1 VAL A 130 18.104 29.062 21.251 1.00 17.23 C ATOM 1030 CG2 VAL A 130 20.062 27.664 20.610 1.00 18.20 C ATOM 1031 OXT VAL A 130 22.337 30.271 22.131 1.00 21.89 O ATOM 0 H VAL A 130 20.299 29.719 18.853 1.00 16.53 H new ATOM 0 HA VAL A 130 20.003 30.885 21.325 1.00 18.08 H new ATOM 0 HB VAL A 130 19.859 28.853 22.280 1.00 17.47 H new ATOM 0 HG11 VAL A 130 17.684 28.262 21.603 1.00 17.23 H new ATOM 0 HG12 VAL A 130 17.818 29.831 21.769 1.00 17.23 H new ATOM 0 HG13 VAL A 130 17.844 29.182 20.324 1.00 17.23 H new ATOM 0 HG21 VAL A 130 19.583 26.899 20.966 1.00 18.20 H new ATOM 0 HG22 VAL A 130 19.868 27.755 19.664 1.00 18.20 H new ATOM 0 HG23 VAL A 130 21.015 27.533 20.733 1.00 18.20 H new TER 1032 VAL A 130 HETATM 1033 O HOH A 131 3.937 17.819 13.193 1.00 42.32 O HETATM 1034 O HOH A 132 5.656 20.224 13.467 1.00 31.76 O HETATM 1035 O HOH A 133 7.564 9.639 13.516 1.00 28.95 O HETATM 1036 O HOH A 134 12.331 25.247 13.586 1.00 11.21 O HETATM 1037 O HOH A 135 24.979 17.526 13.637 1.00 37.46 O HETATM 1038 O HOH A 136 10.538 20.568 14.009 1.00 13.82 O HETATM 1039 O HOH A 137 27.496 11.886 14.703 1.00 10.92 O HETATM 1040 O HOH A 138 14.787 17.836 14.850 1.00 11.11 O HETATM 1041 O HOH A 139 11.083 29.140 14.862 1.00 21.00 O HETATM 1042 O HOH A 140 10.698 26.596 15.153 1.00 23.07 O HETATM 1043 O HOH A 141 8.564 19.321 15.157 1.00 15.47 O HETATM 1044 O HOH A 142 4.530 21.296 15.293 1.00 38.43 O HETATM 1045 O HOH A 143 8.436 16.586 15.424 1.00 23.66 O HETATM 1046 O HOH A 144 11.003 12.263 15.550 1.00 33.98 O HETATM 1047 O HOH A 145 29.176 8.954 15.656 1.00 13.65 O HETATM 1048 O HOH A 146 21.684 12.193 17.292 1.00 35.50 O HETATM 1049 O HOH A 147 21.710 28.358 17.397 1.00 18.21 O HETATM 1050 O HOH A 148 6.048 14.419 17.498 1.00 29.05 O HETATM 1051 O HOH A 149 11.570 10.702 17.955 1.00 31.94 O HETATM 1052 O HOH A 150 9.202 30.604 18.084 1.00 28.59 O HETATM 1053 O HOH A 151 11.383 8.013 18.582 1.00 26.93 O HETATM 1054 O HOH A 152 28.000 18.140 19.060 1.00 32.17 O HETATM 1055 O HOH A 153 9.789 6.115 19.203 1.00 50.04 O HETATM 1056 O HOH A 154 10.523 34.340 19.999 1.00 25.18 O HETATM 1057 O HOH A 155 10.262 30.857 20.351 1.00 26.16 O HETATM 1058 O HOH A 156 5.078 11.749 20.427 1.00 29.94 O HETATM 1059 O HOH A 157 25.004 7.580 20.568 1.00 15.72 O HETATM 1060 O HOH A 158 16.815 4.299 21.272 1.00 14.39 O HETATM 1061 O HOH A 159 0.679 17.182 21.410 1.00 16.26 O HETATM 1062 O HOH A 160 6.228 9.122 21.582 1.00 31.54 O HETATM 1063 O HOH A 161 28.370 15.317 21.672 1.00 33.49 O HETATM 1064 O HOH A 162 22.434 26.233 21.897 1.00 37.19 O HETATM 1065 O HOH A 163 -2.905 22.257 22.122 1.00 27.66 O HETATM 1066 O HOH A 164 26.651 20.764 22.289 1.00 18.17 O HETATM 1067 O HOH A 165 2.804 8.990 22.440 1.00 24.21 O HETATM 1068 O HOH A 166 2.208 27.507 22.496 1.00 30.48 O HETATM 1069 O HOH A 167 -2.391 19.699 22.545 1.00 33.71 O HETATM 1070 O HOH A 168 24.423 23.455 22.637 1.00 7.78 O HETATM 1071 O HOH A 169 26.329 14.182 22.674 1.00 19.19 O HETATM 1072 O HOH A 170 26.770 5.377 22.713 1.00 23.41 O HETATM 1073 O HOH A 171 9.291 30.377 22.974 1.00 43.04 O HETATM 1074 O HOH A 172 -0.489 25.538 23.226 1.00 27.74 O HETATM 1075 O HOH A 173 9.965 7.208 23.508 1.00 33.06 O HETATM 1076 O HOH A 174 4.638 5.457 23.728 1.00 41.95 O HETATM 1077 O HOH A 175 7.295 28.429 23.940 1.00 38.92 O HETATM 1078 O HOH A 176 6.308 7.524 24.097 1.00 31.96 O HETATM 1079 O HOH A 177 24.730 25.541 24.169 1.00 21.65 O HETATM 1080 O HOH A 178 15.642 31.905 24.568 1.00 14.74 O HETATM 1081 O HOH A 179 26.021 28.417 24.693 1.00 36.65 O HETATM 1082 O HOH A 180 4.209 25.758 24.929 1.00 26.98 O HETATM 1083 O HOH A 181 1.618 3.027 25.417 1.00 22.99 O HETATM 1084 O HOH A 182 11.991 6.124 25.674 1.00 33.83 O HETATM 1085 O HOH A 183 17.610 33.538 25.825 1.00 31.96 O HETATM 1086 O HOH A 184 -0.142 18.660 25.963 1.00 19.05 O HETATM 1087 O HOH A 185 9.180 6.180 26.417 1.00 28.37 O HETATM 1088 O HOH A 186 14.992 6.149 26.990 1.00 10.41 O HETATM 1089 O HOH A 187 5.424 -1.906 27.011 1.00 27.98 O HETATM 1090 O HOH A 188 9.570 -0.455 27.236 1.00 43.60 O HETATM 1091 O HOH A 189 27.048 18.521 27.386 1.00 7.06 O HETATM 1092 O HOH A 190 6.352 26.251 27.893 1.00 17.42 O HETATM 1093 O HOH A 191 5.450 17.588 28.257 1.00 8.68 O HETATM 1094 O HOH A 192 17.481 32.926 28.280 1.00 29.98 O HETATM 1095 O HOH A 193 10.129 29.888 28.308 1.00 27.92 O HETATM 1096 O HOH A 194 -0.529 4.965 28.740 1.00 32.40 O HETATM 1097 O HOH A 195 7.653 28.993 28.836 1.00 31.15 O HETATM 1098 O HOH A 196 8.756 -2.776 29.119 1.00 19.68 O HETATM 1099 O HOH A 197 -2.404 24.850 29.200 1.00 33.21 O HETATM 1100 O HOH A 198 19.821 28.285 29.269 1.00 10.60 O HETATM 1101 O HOH A 199 4.247 19.696 29.612 1.00 6.66 O HETATM 1102 O HOH A 200 15.465 5.075 30.000 1.00 19.83 O HETATM 1103 O HOH A 201 12.220 7.190 30.236 1.00 23.42 O HETATM 1104 O HOH A 202 8.546 15.189 30.254 1.00 5.67 O HETATM 1105 O HOH A 203 22.734 28.971 30.644 1.00 34.18 O HETATM 1106 O HOH A 204 11.101 3.886 30.675 1.00 44.79 O HETATM 1107 O HOH A 205 15.562 -5.342 30.956 1.00 39.70 O HETATM 1108 O HOH A 206 -0.129 4.263 31.235 1.00 17.30 O HETATM 1109 O HOH A 207 17.238 -3.069 31.266 1.00 29.01 O HETATM 1110 O HOH A 208 5.592 32.043 31.344 1.00 26.42 O HETATM 1111 O HOH A 209 3.451 20.208 31.544 1.00 18.42 O HETATM 1112 O HOH A 210 6.922 29.619 31.741 1.00 19.70 O HETATM 1113 O HOH A 211 25.813 4.882 31.781 1.00 42.95 O HETATM 1114 O HOH A 212 -1.329 6.880 32.032 1.00 20.42 O HETATM 1115 O HOH A 213 1.952 -4.653 32.145 1.00 22.20 O HETATM 1116 O HOH A 214 -2.607 17.516 32.163 1.00 25.78 O HETATM 1117 O HOH A 215 15.529 8.797 33.098 1.00 23.00 O HETATM 1118 O HOH A 216 12.638 8.968 33.188 1.00 21.68 O HETATM 1119 O HOH A 217 4.493 22.723 33.234 1.00 19.92 O HETATM 1120 O HOH A 218 1.332 21.359 34.871 1.00 28.15 O HETATM 1121 O HOH A 219 1.922 3.504 34.980 1.00 11.54 O HETATM 1122 O HOH A 220 14.558 7.108 35.113 1.00 34.84 O HETATM 1123 O HOH A 221 10.771 25.398 35.149 1.00 16.51 O HETATM 1124 O HOH A 222 11.053 1.950 35.238 1.00 17.66 O HETATM 1125 O HOH A 223 -3.215 17.866 35.410 1.00 28.53 O HETATM 1126 O HOH A 224 0.555 0.615 36.120 1.00 27.45 O HETATM 1127 O HOH A 225 13.221 25.188 36.299 1.00 17.52 O HETATM 1128 O HOH A 226 19.908 10.521 36.689 1.00 17.13 O HETATM 1129 O HOH A 227 24.051 23.793 36.951 1.00 18.72 O HETATM 1130 O HOH A 228 18.629 8.278 37.326 1.00 27.10 O HETATM 1131 O HOH A 229 -0.683 -1.554 37.439 1.00 38.15 O HETATM 1132 O HOH A 230 -1.264 18.754 37.498 1.00 24.81 O HETATM 1133 O HOH A 231 1.023 21.616 37.564 1.00 32.12 O HETATM 1134 O HOH A 232 7.512 24.431 37.646 1.00 37.24 O HETATM 1135 O HOH A 233 24.801 14.822 37.944 1.00 20.79 O HETATM 1136 O HOH A 234 -0.120 -4.230 38.889 1.00 27.60 O HETATM 1137 O HOH A 235 3.222 23.122 39.014 1.00 36.06 O HETATM 1138 O HOH A 236 24.323 1.885 39.073 1.00 42.51 O HETATM 1139 O HOH A 237 2.011 25.550 39.132 1.00 36.30 O HETATM 1140 O HOH A 238 22.043 7.356 39.195 1.00 45.01 O HETATM 1141 O HOH A 239 7.306 21.367 39.249 1.00 30.64 O HETATM 1142 O HOH A 240 17.943 24.166 39.684 1.00 32.46 O HETATM 1143 O HOH A 241 14.380 21.230 39.754 1.00 27.10 O HETATM 1144 O HOH A 242 -2.397 26.934 39.858 1.00 40.32 O HETATM 1145 O HOH A 243 9.330 19.237 39.951 1.00 35.78 O HETATM 1146 O HOH A 244 26.124 14.184 40.141 1.00 16.86 O HETATM 1147 O HOH A 245 3.825 6.654 40.243 1.00 16.91 O HETATM 1148 O HOH A 246 1.063 18.281 40.462 1.00 8.26 O HETATM 1149 O HOH A 247 5.856 7.551 41.042 1.00 7.20 O HETATM 1150 O HOH A 248 3.345 21.473 41.311 1.00 26.74 O HETATM 1151 O HOH A 249 2.295 4.742 41.944 1.00 8.47 O HETATM 1152 O HOH A 250 6.572 19.964 42.055 1.00 20.12 O HETATM 1153 O HOH A 251 25.432 5.276 42.063 1.00 23.96 O HETATM 1154 O HOH A 252 13.796 9.018 42.372 1.00 23.51 O HETATM 1155 O HOH A 253 11.143 0.826 42.600 1.00 28.16 O HETATM 1156 O HOH A 254 -0.080 13.126 42.860 1.00 2.00 O HETATM 1157 O HOH A 255 4.641 7.628 43.058 1.00 16.27 O HETATM 1158 O HOH A 256 0.066 17.585 43.163 1.00 12.41 O HETATM 1159 O HOH A 257 10.817 3.418 43.182 1.00 34.22 O HETATM 1160 O HOH A 258 2.346 15.179 43.835 1.00 20.08 O HETATM 1161 O HOH A 259 2.189 5.535 44.390 1.00 24.42 O HETATM 1162 O HOH A 260 13.956 17.647 44.409 1.00 28.10 O HETATM 1163 O HOH A 261 9.779 19.561 44.529 1.00 28.37 O HETATM 1164 O HOH A 262 16.700 18.811 45.024 1.00 33.96 O HETATM 1165 O HOH A 263 6.251 21.449 45.295 1.00 27.43 O HETATM 1166 O HOH A 264 14.341 21.601 45.345 1.00 26.97 O HETATM 1167 O HOH A 265 13.720 14.600 45.501 1.00 27.39 O HETATM 1168 O HOH A 266 18.577 20.524 45.612 1.00 31.22 O HETATM 1169 O HOH A 267 4.751 8.096 45.784 1.00 21.99 O HETATM 1170 O HOH A 268 8.505 21.067 45.972 1.00 41.79 O HETATM 1171 O HOH A 269 13.414 9.019 46.076 1.00 33.42 O HETATM 1172 O HOH A 270 10.562 22.471 46.137 1.00 37.29 O HETATM 1173 O HOH A 271 3.613 11.096 46.245 1.00 33.27 O HETATM 1174 O HOH A 272 12.754 18.767 46.951 1.00 20.21 O CONECT 53 1019 CONECT 243 918 CONECT 534 642 CONECT 612 740 CONECT 642 534 CONECT 740 612 CONECT 918 243 CONECT 1019 53 END