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 3LHM 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 3 24-FEB-09 3LHM 1 VERSN REVDAT 2 15-OCT-94 3LHM 1 HET FORMUL REVDAT 1 15-APR-92 3LHM 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 : 1 REMARK 3 SOLVENT ATOMS : 109 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 3LHM COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : NULL REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : NULL REMARK 200 RADIATION SOURCE : NULL REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL REMARK 200 WAVELENGTH OR RANGE (A) : NULL REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : NULL REMARK 200 DETECTOR MANUFACTURER : NULL REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : NULL REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 38.42 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.00 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 28.69500 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.84500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 30.48500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 16.84500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.69500 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 30.48500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. REMARK 500 REMARK 500 DISTANCE CUTOFF: REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE REMARK 500 O HOH A 186 O HOH A 213 4457 1.99 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 14 CD - NE - CZ ANGL. DEV. = 10.7 DEGREES REMARK 500 ARG A 14 NE - CZ - NH1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ARG A 14 NE - CZ - NH2 ANGL. DEV. = -6.7 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES REMARK 500 ARG A 21 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 50 CD - NE - CZ ANGL. DEV. = 13.9 DEGREES REMARK 500 ARG A 50 NE - CZ - NH1 ANGL. DEV. = 7.0 DEGREES REMARK 500 ARG A 50 NE - CZ - NH2 ANGL. DEV. = -4.7 DEGREES REMARK 500 ASP A 53 CB - CG - OD2 ANGL. DEV. = -8.7 DEGREES REMARK 500 LEU A 79 CA - CB - CG ANGL. DEV. = 13.9 DEGREES REMARK 500 ARG A 107 CD - NE - CZ ANGL. DEV. = 9.0 DEGREES REMARK 500 ARG A 107 NE - CZ - NH1 ANGL. DEV. = 4.7 DEGREES REMARK 500 ARG A 113 NE - CZ - NH2 ANGL. DEV. = -5.1 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 155 DISTANCE = 5.10 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 131 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ALA A 83 O REMARK 620 2 HOH A 189 O 94.7 REMARK 620 3 ASP A 86 OD1 80.6 67.9 REMARK 620 4 ASN A 88 O 161.3 89.3 84.0 REMARK 620 5 HOH A 200 O 80.5 141.8 74.0 85.1 REMARK 620 6 ASP A 92 OD1 106.4 75.4 143.1 92.2 142.4 REMARK 620 7 ASP A 91 OD1 93.4 150.3 141.8 92.1 67.8 74.9 REMARK 620 N 1 2 3 4 5 6 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 131 DBREF 3LHM A 1 130 UNP P61626 LYSC_HUMAN 19 148 SEQADV 3LHM ASP A 86 UNP P61626 GLN 104 CONFLICT SEQADV 3LHM 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 HET CA A 131 1 HETNAM CA CALCIUM ION FORMUL 2 CA CA 2+ FORMUL 3 HOH *109(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 2.01 SSBOND *** CYS A 30 CYS A 116 1555 1555 2.04 SSBOND *** CYS A 65 CYS A 81 1555 1555 2.02 SSBOND *** CYS A 77 CYS A 95 1555 1555 2.02 LINK CA CA A 131 O ALA A 83 1555 1555 2.25 LINK CA CA A 131 O HOH A 189 1555 1555 2.44 LINK CA CA A 131 OD1 ASP A 86 1555 1555 2.41 LINK CA CA A 131 O ASN A 88 1555 1555 2.39 LINK CA CA A 131 O HOH A 200 1555 1555 2.90 LINK CA CA A 131 OD1 ASP A 92 1555 1555 2.40 LINK CA CA A 131 OD1 ASP A 91 1555 1555 2.44 SITE *** AC1 7 ALA A 83 ASP A 86 ASN A 88 ASP A 91 SITE *** AC1 7 ASP A 92 HOH A 189 HOH A 200 CRYST1 57.390 60.970 33.690 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.017425 0.000000 0.000000 0.00000 SCALE2 0.000000 0.016402 0.000000 0.00000 SCALE3 0.000000 0.000000 0.029682 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 SER OG : rot 113:sc= 1.54 USER MOD Set 1.2: A 70 THR OG1 : rot 100:sc= 2.81 USER MOD Set 2.1: A 44 ASN :FLIP amide:sc= -0.391! C(o=2.5!,f=4.9!) USER MOD Set 2.2: A 46 ASN :FLIP amide:sc= 0.216 F(o=3.4,f=4.9) USER MOD Set 2.3: A 51 SER OG : rot -70:sc= 1.74 USER MOD Set 2.4: A 60 ASN : amide:sc= 3.31 K(o=4.9,f=-3.7!) USER MOD Set 3.1: A 29 MET CE :methyl -162:sc= -0.355 (180deg=-1.19) USER MOD Set 3.2: A 38 TYR OH : rot 0:sc= 0.709 USER MOD Set 4.1: A 24 SER OG : rot 161:sc= 0.539 USER MOD Set 4.2: A 27 ASN : amide:sc= 1.82 K(o=2.4,f=-0.59!) USER MOD Set 5.1: A 1 LYS N :NH3+ 174:sc= 2.38 (180deg=1.65) USER MOD Set 5.2: A 40 THR OG1 : rot 138:sc= 0.632 USER MOD Single : A 1 LYS NZ :NH3+ 173:sc= 0.393 (180deg=0.352) USER MOD Single : A 11 THR OG1 : rot 75:sc= 0.891 USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.158 (180deg=-0.658) USER MOD Single : A 17 MET CE :methyl -179:sc= 0 (180deg=-0.000573) USER MOD Single : A 20 TYR OH : rot 30:sc= 0.66 USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= -0.918 (180deg=-1.12) USER MOD Single : A 36 SER OG : rot -97:sc= 0.922 USER MOD Single : A 39 ASN : amide:sc= 1.59 K(o=1.6,f=-1.3) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc= 0.246 USER MOD Single : A 52 THR OG1 : rot -150:sc= 2.43 USER MOD Single : A 54 TYR OH : rot -2:sc= 1.34 USER MOD Single : A 58 GLN : amide:sc= 0.861 K(o=0.86,f=-0.0097) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 2.33 K(o=2.3,f=-0.39) USER MOD Single : A 69 LYS NZ :NH3+ -144:sc= 0.00485 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.0605 K(o=-0.06,f=-4.6!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 80 SER OG : rot 170:sc= -0.44 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0.293 X(o=0.29,f=0.24) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= 2.39 (180deg=2) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.96 F(o=-2.3!,f=-0.96) USER MOD Single : A 114 ASN : amide:sc= -0.0422 K(o=-0.042,f=-1.2!) USER MOD Single : A 117 GLN :FLIP amide:sc= 0.415 F(o=-0.48,f=0.41) USER MOD Single : A 118 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.7!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 TYR OH : rot -153:sc= 1.68 USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.856 19.531 22.890 1.00 10.31 N ATOM 2 CA LYS A 1 1.290 20.479 21.841 1.00 11.18 C ATOM 3 C LYS A 1 2.574 19.911 21.257 1.00 10.91 C ATOM 4 O LYS A 1 3.332 19.321 22.071 1.00 11.22 O ATOM 5 CB LYS A 1 1.564 21.834 22.506 1.00 13.88 C ATOM 6 CG LYS A 1 2.708 22.695 22.015 1.00 16.08 C ATOM 7 CD LYS A 1 2.996 23.876 22.964 1.00 14.69 C ATOM 8 CE LYS A 1 4.182 24.653 22.439 1.00 17.98 C ATOM 9 NZ LYS A 1 3.829 25.456 21.242 1.00 20.47 N ATOM 0 H1 LYS A 1 0.153 19.866 23.321 1.00 10.31 H new ATOM 0 H2 LYS A 1 0.632 18.756 22.515 1.00 10.31 H new ATOM 0 H3 LYS A 1 1.522 19.400 23.466 1.00 10.31 H new ATOM 0 HA LYS A 1 0.623 20.599 21.147 1.00 11.18 H new ATOM 0 HB2 LYS A 1 0.753 22.361 22.433 1.00 13.88 H new ATOM 0 HB3 LYS A 1 1.711 21.668 23.450 1.00 13.88 H new ATOM 0 HG2 LYS A 1 3.506 22.151 21.927 1.00 16.08 H new ATOM 0 HG3 LYS A 1 2.498 23.036 21.131 1.00 16.08 H new ATOM 0 HD2 LYS A 1 2.219 24.453 23.026 1.00 14.69 H new ATOM 0 HD3 LYS A 1 3.179 23.550 23.859 1.00 14.69 H new ATOM 0 HE2 LYS A 1 4.518 25.240 23.135 1.00 17.98 H new ATOM 0 HE3 LYS A 1 4.898 24.038 22.216 1.00 17.98 H new ATOM 0 HZ1 LYS A 1 4.516 25.976 21.020 1.00 20.47 H new ATOM 0 HZ2 LYS A 1 3.639 24.911 20.564 1.00 20.47 H new ATOM 0 HZ3 LYS A 1 3.120 25.963 21.423 1.00 20.47 H new ATOM 10 N VAL A 2 2.814 20.085 20.003 1.00 9.74 N ATOM 11 CA VAL A 2 4.043 19.617 19.365 1.00 11.51 C ATOM 12 C VAL A 2 4.905 20.863 19.078 1.00 12.06 C ATOM 13 O VAL A 2 4.448 21.664 18.238 1.00 11.00 O ATOM 14 CB VAL A 2 3.805 18.815 18.071 1.00 12.51 C ATOM 15 CG1 VAL A 2 5.118 18.351 17.438 1.00 11.71 C ATOM 16 CG2 VAL A 2 2.845 17.647 18.279 1.00 11.84 C ATOM 0 H VAL A 2 2.272 20.483 19.467 1.00 9.74 H new ATOM 0 HA VAL A 2 4.487 18.998 19.965 1.00 11.51 H new ATOM 0 HB VAL A 2 3.379 19.423 17.447 1.00 12.51 H new ATOM 0 HG11 VAL A 2 4.928 17.851 16.629 1.00 11.71 H new ATOM 0 HG12 VAL A 2 5.663 19.123 17.221 1.00 11.71 H new ATOM 0 HG13 VAL A 2 5.596 17.784 18.063 1.00 11.71 H new ATOM 0 HG21 VAL A 2 2.726 17.173 17.441 1.00 11.84 H new ATOM 0 HG22 VAL A 2 3.210 17.042 18.943 1.00 11.84 H new ATOM 0 HG23 VAL A 2 1.988 17.983 18.585 1.00 11.84 H new ATOM 17 N PHE A 3 6.051 20.960 19.705 1.00 10.94 N ATOM 18 CA PHE A 3 6.912 22.122 19.423 1.00 11.07 C ATOM 19 C PHE A 3 7.627 22.016 18.071 1.00 11.44 C ATOM 20 O PHE A 3 7.841 20.911 17.620 1.00 10.52 O ATOM 21 CB PHE A 3 8.078 22.195 20.435 1.00 9.77 C ATOM 22 CG PHE A 3 7.693 22.812 21.726 1.00 10.51 C ATOM 23 CD1 PHE A 3 7.041 22.075 22.700 1.00 10.20 C ATOM 24 CD2 PHE A 3 7.952 24.158 21.957 1.00 12.17 C ATOM 25 CE1 PHE A 3 6.672 22.643 23.917 1.00 12.50 C ATOM 26 CE2 PHE A 3 7.618 24.752 23.165 1.00 10.71 C ATOM 27 CZ PHE A 3 6.980 23.996 24.134 1.00 11.11 C ATOM 0 H PHE A 3 6.356 20.397 20.279 1.00 10.94 H new ATOM 0 HA PHE A 3 6.313 22.884 19.457 1.00 11.07 H new ATOM 0 HB2 PHE A 3 8.413 21.300 20.598 1.00 9.77 H new ATOM 0 HB3 PHE A 3 8.806 22.703 20.045 1.00 9.77 H new ATOM 0 HD1 PHE A 3 6.845 21.180 22.538 1.00 10.20 H new ATOM 0 HD2 PHE A 3 8.355 24.668 21.292 1.00 12.17 H new ATOM 0 HE1 PHE A 3 6.235 22.141 24.567 1.00 12.50 H new ATOM 0 HE2 PHE A 3 7.820 25.646 23.322 1.00 10.71 H new ATOM 0 HZ PHE A 3 6.751 24.392 24.944 1.00 11.11 H new ATOM 28 N GLU A 4 8.033 23.164 17.541 1.00 12.13 N ATOM 29 CA GLU A 4 8.866 23.235 16.331 1.00 12.14 C ATOM 30 C GLU A 4 10.263 23.291 16.991 1.00 11.85 C ATOM 31 O GLU A 4 10.343 23.783 18.156 1.00 11.76 O ATOM 32 CB GLU A 4 8.796 24.457 15.477 1.00 17.77 C ATOM 33 CG GLU A 4 7.462 25.040 15.091 1.00 24.71 C ATOM 34 CD GLU A 4 6.777 24.387 13.929 1.00 28.26 C ATOM 35 OE1 GLU A 4 6.939 24.703 12.764 1.00 31.89 O ATOM 36 OE2 GLU A 4 6.007 23.492 14.332 1.00 31.46 O ATOM 0 H GLU A 4 7.835 23.933 17.871 1.00 12.13 H new ATOM 0 HA GLU A 4 8.608 22.519 15.730 1.00 12.14 H new ATOM 0 HB2 GLU A 4 9.293 25.154 15.933 1.00 17.77 H new ATOM 0 HB3 GLU A 4 9.272 24.260 14.655 1.00 17.77 H new ATOM 0 HG2 GLU A 4 6.873 24.993 15.860 1.00 24.71 H new ATOM 0 HG3 GLU A 4 7.586 25.980 14.885 1.00 24.71 H new ATOM 37 N ARG A 5 11.262 22.826 16.311 1.00 10.20 N ATOM 38 CA ARG A 5 12.627 22.719 16.796 1.00 9.67 C ATOM 39 C ARG A 5 13.170 23.965 17.478 1.00 9.48 C ATOM 40 O ARG A 5 13.566 23.908 18.666 1.00 8.47 O ATOM 41 CB ARG A 5 13.592 22.322 15.668 1.00 9.31 C ATOM 42 CG ARG A 5 15.019 22.016 16.075 1.00 8.15 C ATOM 43 CD ARG A 5 15.778 21.509 14.895 1.00 10.96 C ATOM 44 NE ARG A 5 15.857 22.439 13.796 1.00 13.82 N ATOM 45 CZ ARG A 5 16.838 23.348 13.660 1.00 13.09 C ATOM 46 NH1 ARG A 5 17.820 23.398 14.575 1.00 15.46 N ATOM 47 NH2 ARG A 5 16.849 24.181 12.632 1.00 14.95 N ATOM 0 H ARG A 5 11.173 22.543 15.504 1.00 10.20 H new ATOM 0 HA ARG A 5 12.577 22.026 17.473 1.00 9.67 H new ATOM 0 HB2 ARG A 5 13.230 21.542 15.220 1.00 9.31 H new ATOM 0 HB3 ARG A 5 13.610 23.041 15.017 1.00 9.31 H new ATOM 0 HG2 ARG A 5 15.443 22.815 16.425 1.00 8.15 H new ATOM 0 HG3 ARG A 5 15.028 21.355 16.785 1.00 8.15 H new ATOM 0 HD2 ARG A 5 16.678 21.280 15.176 1.00 10.96 H new ATOM 0 HD3 ARG A 5 15.361 20.690 14.583 1.00 10.96 H new ATOM 0 HE ARG A 5 15.243 22.411 13.195 1.00 13.82 H new ATOM 0 HH11 ARG A 5 17.817 22.852 15.239 1.00 15.46 H new ATOM 0 HH12 ARG A 5 18.452 23.976 14.496 1.00 15.46 H new ATOM 0 HH21 ARG A 5 16.224 24.144 12.042 1.00 14.95 H new ATOM 0 HH22 ARG A 5 17.481 24.759 12.554 1.00 14.95 H new ATOM 48 N CYS A 6 13.238 25.038 16.690 1.00 9.04 N ATOM 49 CA CYS A 6 13.799 26.302 17.226 1.00 8.57 C ATOM 50 C CYS A 6 12.940 26.932 18.301 1.00 8.90 C ATOM 51 O CYS A 6 13.499 27.592 19.193 1.00 8.56 O ATOM 52 CB CYS A 6 14.169 27.221 16.041 1.00 10.00 C ATOM 53 SG CYS A 6 15.522 26.547 15.032 1.00 11.09 S ATOM 0 H CYS A 6 12.978 25.067 15.871 1.00 9.04 H new ATOM 0 HA CYS A 6 14.618 26.118 17.711 1.00 8.57 H new ATOM 0 HB2 CYS A 6 13.387 27.353 15.482 1.00 10.00 H new ATOM 0 HB3 CYS A 6 14.426 28.093 16.380 1.00 10.00 H new ATOM 54 N GLU A 7 11.644 26.800 18.252 1.00 8.45 N ATOM 55 CA GLU A 7 10.721 27.309 19.246 1.00 9.23 C ATOM 56 C GLU A 7 11.026 26.593 20.546 1.00 9.40 C ATOM 57 O GLU A 7 11.096 27.241 21.622 1.00 8.78 O ATOM 58 CB GLU A 7 9.288 27.090 18.815 1.00 12.25 C ATOM 59 CG GLU A 7 8.207 27.274 19.836 1.00 17.25 C ATOM 60 CD GLU A 7 6.838 26.743 19.557 1.00 19.22 C ATOM 61 OE1 GLU A 7 6.491 25.934 18.708 1.00 20.60 O ATOM 62 OE2 GLU A 7 6.060 27.278 20.394 1.00 21.50 O ATOM 0 H GLU A 7 11.248 26.391 17.607 1.00 8.45 H new ATOM 0 HA GLU A 7 10.829 28.266 19.358 1.00 9.23 H new ATOM 0 HB2 GLU A 7 9.105 27.693 18.077 1.00 12.25 H new ATOM 0 HB3 GLU A 7 9.217 26.187 18.468 1.00 12.25 H new ATOM 0 HG2 GLU A 7 8.514 26.868 20.662 1.00 17.25 H new ATOM 0 HG3 GLU A 7 8.122 28.226 20.002 1.00 17.25 H new ATOM 63 N LEU A 8 11.314 25.275 20.507 1.00 8.40 N ATOM 64 CA LEU A 8 11.630 24.583 21.795 1.00 8.77 C ATOM 65 C LEU A 8 13.024 25.010 22.311 1.00 7.25 C ATOM 66 O LEU A 8 13.220 25.149 23.502 1.00 7.48 O ATOM 67 CB LEU A 8 11.556 23.060 21.567 1.00 9.01 C ATOM 68 CG LEU A 8 11.916 22.224 22.793 1.00 10.14 C ATOM 69 CD1 LEU A 8 10.886 22.409 23.914 1.00 9.86 C ATOM 70 CD2 LEU A 8 12.012 20.765 22.399 1.00 11.63 C ATOM 0 H LEU A 8 11.334 24.786 19.800 1.00 8.40 H new ATOM 0 HA LEU A 8 10.984 24.834 22.474 1.00 8.77 H new ATOM 0 HB2 LEU A 8 10.658 22.829 21.283 1.00 9.01 H new ATOM 0 HB3 LEU A 8 12.153 22.823 20.840 1.00 9.01 H new ATOM 0 HG LEU A 8 12.774 22.524 23.131 1.00 10.14 H new ATOM 0 HD11 LEU A 8 11.139 21.868 24.678 1.00 9.86 H new ATOM 0 HD12 LEU A 8 10.856 23.343 24.175 1.00 9.86 H new ATOM 0 HD13 LEU A 8 10.011 22.133 23.599 1.00 9.86 H new ATOM 0 HD21 LEU A 8 12.241 20.234 23.178 1.00 11.63 H new ATOM 0 HD22 LEU A 8 11.159 20.468 22.045 1.00 11.63 H new ATOM 0 HD23 LEU A 8 12.698 20.657 21.722 1.00 11.63 H new ATOM 71 N ALA A 9 13.955 25.134 21.402 1.00 7.55 N ATOM 72 CA ALA A 9 15.353 25.492 21.726 1.00 8.03 C ATOM 73 C ALA A 9 15.374 26.816 22.503 1.00 7.71 C ATOM 74 O ALA A 9 16.023 26.874 23.535 1.00 6.99 O ATOM 75 CB ALA A 9 16.152 25.568 20.441 1.00 7.15 C ATOM 0 H ALA A 9 13.813 25.016 20.562 1.00 7.55 H new ATOM 0 HA ALA A 9 15.760 24.817 22.291 1.00 8.03 H new ATOM 0 HB1 ALA A 9 17.071 25.803 20.645 1.00 7.15 H new ATOM 0 HB2 ALA A 9 16.130 24.707 19.994 1.00 7.15 H new ATOM 0 HB3 ALA A 9 15.768 26.243 19.860 1.00 7.15 H new ATOM 76 N ARG A 10 14.614 27.767 21.971 1.00 8.48 N ATOM 77 CA ARG A 10 14.546 29.123 22.628 1.00 8.52 C ATOM 78 C ARG A 10 13.852 29.010 23.960 1.00 8.53 C ATOM 79 O ARG A 10 14.332 29.633 24.920 1.00 8.06 O ATOM 80 CB ARG A 10 13.948 30.143 21.653 1.00 9.05 C ATOM 81 CG ARG A 10 14.940 30.490 20.556 1.00 9.30 C ATOM 82 CD ARG A 10 14.542 31.633 19.668 1.00 10.70 C ATOM 83 NE ARG A 10 13.235 31.411 19.066 1.00 8.10 N ATOM 84 CZ ARG A 10 13.139 30.904 17.824 1.00 7.97 C ATOM 85 NH1 ARG A 10 14.210 30.672 17.108 1.00 6.92 N ATOM 86 NH2 ARG A 10 11.939 30.672 17.315 1.00 8.81 N ATOM 0 H ARG A 10 14.139 27.678 21.260 1.00 8.48 H new ATOM 0 HA ARG A 10 15.431 29.462 22.834 1.00 8.52 H new ATOM 0 HB2 ARG A 10 13.138 29.783 21.260 1.00 9.05 H new ATOM 0 HB3 ARG A 10 13.697 30.947 22.134 1.00 9.05 H new ATOM 0 HG2 ARG A 10 15.793 30.701 20.967 1.00 9.30 H new ATOM 0 HG3 ARG A 10 15.077 29.704 20.004 1.00 9.30 H new ATOM 0 HD2 ARG A 10 14.527 32.455 20.183 1.00 10.70 H new ATOM 0 HD3 ARG A 10 15.206 31.748 18.970 1.00 10.70 H new ATOM 0 HE ARG A 10 12.522 31.605 19.506 1.00 8.10 H new ATOM 0 HH11 ARG A 10 14.988 30.844 17.431 1.00 6.92 H new ATOM 0 HH12 ARG A 10 14.135 30.348 16.315 1.00 6.92 H new ATOM 0 HH21 ARG A 10 11.235 30.845 17.777 1.00 8.81 H new ATOM 0 HH22 ARG A 10 11.864 30.348 16.522 1.00 8.81 H new ATOM 87 N THR A 11 12.839 28.159 24.061 1.00 8.66 N ATOM 88 CA THR A 11 12.141 27.951 25.356 1.00 8.67 C ATOM 89 C THR A 11 13.030 27.374 26.461 1.00 8.46 C ATOM 90 O THR A 11 13.014 27.831 27.609 1.00 8.76 O ATOM 91 CB THR A 11 10.834 27.057 25.181 1.00 7.75 C ATOM 92 OG1 THR A 11 10.035 27.692 24.158 1.00 11.96 O ATOM 93 CG2 THR A 11 10.048 26.895 26.477 1.00 10.09 C ATOM 0 H THR A 11 12.533 27.691 23.408 1.00 8.66 H new ATOM 0 HA THR A 11 11.885 28.841 25.646 1.00 8.67 H new ATOM 0 HB THR A 11 11.084 26.155 24.927 1.00 7.75 H new ATOM 0 HG1 THR A 11 10.375 27.543 23.404 1.00 11.96 H new ATOM 0 HG21 THR A 11 9.266 26.345 26.315 1.00 10.09 H new ATOM 0 HG22 THR A 11 10.609 26.470 27.145 1.00 10.09 H new ATOM 0 HG23 THR A 11 9.768 27.767 26.797 1.00 10.09 H new ATOM 94 N LEU A 12 13.804 26.349 26.129 1.00 8.78 N ATOM 95 CA LEU A 12 14.728 25.661 27.034 1.00 8.95 C ATOM 96 C LEU A 12 15.840 26.590 27.501 1.00 9.55 C ATOM 97 O LEU A 12 16.229 26.558 28.659 1.00 10.72 O ATOM 98 CB LEU A 12 15.247 24.388 26.385 1.00 7.01 C ATOM 99 CG LEU A 12 14.228 23.260 26.166 1.00 8.50 C ATOM 100 CD1 LEU A 12 14.961 22.031 25.645 1.00 11.26 C ATOM 101 CD2 LEU A 12 13.415 22.905 27.405 1.00 9.60 C ATOM 0 H LEU A 12 13.808 26.018 25.335 1.00 8.78 H new ATOM 0 HA LEU A 12 14.249 25.398 27.835 1.00 8.95 H new ATOM 0 HB2 LEU A 12 15.630 24.621 25.525 1.00 7.01 H new ATOM 0 HB3 LEU A 12 15.969 24.042 26.932 1.00 7.01 H new ATOM 0 HG LEU A 12 13.582 23.583 25.518 1.00 8.50 H new ATOM 0 HD11 LEU A 12 14.326 21.311 25.503 1.00 11.26 H new ATOM 0 HD12 LEU A 12 15.398 22.246 24.806 1.00 11.26 H new ATOM 0 HD13 LEU A 12 15.626 21.752 26.293 1.00 11.26 H new ATOM 0 HD21 LEU A 12 12.796 22.189 27.192 1.00 9.60 H new ATOM 0 HD22 LEU A 12 14.012 22.616 28.112 1.00 9.60 H new ATOM 0 HD23 LEU A 12 12.918 23.684 27.700 1.00 9.60 H new ATOM 102 N LYS A 13 16.325 27.399 26.570 1.00 9.22 N ATOM 103 CA LYS A 13 17.380 28.355 26.939 1.00 9.73 C ATOM 104 C LYS A 13 16.828 29.299 28.010 1.00 9.69 C ATOM 105 O LYS A 13 17.490 29.555 29.033 1.00 9.84 O ATOM 106 CB LYS A 13 17.821 29.201 25.725 1.00 11.96 C ATOM 107 CG LYS A 13 19.160 29.905 26.077 1.00 14.55 C ATOM 108 CD LYS A 13 19.809 30.506 24.852 1.00 18.41 C ATOM 109 CE LYS A 13 21.086 31.256 25.196 1.00 20.92 C ATOM 110 NZ LYS A 13 21.912 30.429 26.143 1.00 23.41 N ATOM 0 H LYS A 13 16.074 27.419 25.748 1.00 9.22 H new ATOM 0 HA LYS A 13 18.146 27.857 27.265 1.00 9.73 H new ATOM 0 HB2 LYS A 13 17.932 28.637 24.943 1.00 11.96 H new ATOM 0 HB3 LYS A 13 17.142 29.858 25.507 1.00 11.96 H new ATOM 0 HG2 LYS A 13 18.998 30.601 26.733 1.00 14.55 H new ATOM 0 HG3 LYS A 13 19.765 29.266 26.485 1.00 14.55 H new ATOM 0 HD2 LYS A 13 20.009 29.803 24.215 1.00 18.41 H new ATOM 0 HD3 LYS A 13 19.186 31.111 24.420 1.00 18.41 H new ATOM 0 HE2 LYS A 13 21.591 31.442 24.389 1.00 20.92 H new ATOM 0 HE3 LYS A 13 20.872 32.111 25.600 1.00 20.92 H new ATOM 0 HZ1 LYS A 13 22.767 30.669 26.079 1.00 23.41 H new ATOM 0 HZ2 LYS A 13 21.629 30.561 26.977 1.00 23.41 H new ATOM 0 HZ3 LYS A 13 21.829 29.568 25.935 1.00 23.41 H new ATOM 111 N ARG A 14 15.632 29.837 27.828 1.00 10.62 N ATOM 112 CA ARG A 14 15.007 30.769 28.800 1.00 11.80 C ATOM 113 C ARG A 14 14.808 30.162 30.185 1.00 11.82 C ATOM 114 O ARG A 14 14.841 30.802 31.266 1.00 9.62 O ATOM 115 CB ARG A 14 13.699 31.279 28.193 1.00 13.76 C ATOM 116 CG ARG A 14 13.301 32.696 28.539 1.00 21.87 C ATOM 117 CD ARG A 14 12.003 33.122 27.904 1.00 24.09 C ATOM 118 NE ARG A 14 12.132 32.930 26.478 1.00 28.47 N ATOM 119 CZ ARG A 14 11.629 32.066 25.614 1.00 29.35 C ATOM 120 NH1 ARG A 14 10.714 31.130 25.860 1.00 29.59 N ATOM 121 NH2 ARG A 14 12.191 32.141 24.384 1.00 30.64 N ATOM 0 H ARG A 14 15.145 29.680 27.137 1.00 10.62 H new ATOM 0 HA ARG A 14 15.612 31.511 28.954 1.00 11.80 H new ATOM 0 HB2 ARG A 14 13.765 31.209 27.228 1.00 13.76 H new ATOM 0 HB3 ARG A 14 12.984 30.686 28.472 1.00 13.76 H new ATOM 0 HG2 ARG A 14 13.225 32.778 29.503 1.00 21.87 H new ATOM 0 HG3 ARG A 14 14.005 33.301 28.258 1.00 21.87 H new ATOM 0 HD2 ARG A 14 11.265 32.599 28.253 1.00 24.09 H new ATOM 0 HD3 ARG A 14 11.813 34.051 28.107 1.00 24.09 H new ATOM 0 HE ARG A 14 12.652 33.507 26.109 1.00 28.47 H new ATOM 0 HH11 ARG A 14 10.389 31.044 26.652 1.00 29.59 H new ATOM 0 HH12 ARG A 14 10.448 30.612 25.227 1.00 29.59 H new ATOM 0 HH21 ARG A 14 12.813 32.714 24.230 1.00 30.64 H new ATOM 0 HH22 ARG A 14 11.925 31.616 23.757 1.00 30.64 H new ATOM 122 N LEU A 15 14.591 28.842 30.162 1.00 11.12 N ATOM 123 CA LEU A 15 14.335 27.996 31.335 1.00 11.31 C ATOM 124 C LEU A 15 15.610 27.519 32.026 1.00 10.37 C ATOM 125 O LEU A 15 15.502 26.784 33.028 1.00 10.80 O ATOM 126 CB LEU A 15 13.296 26.898 30.994 1.00 10.85 C ATOM 127 CG LEU A 15 11.862 27.261 30.637 1.00 11.39 C ATOM 128 CD1 LEU A 15 11.034 26.035 30.272 1.00 10.53 C ATOM 129 CD2 LEU A 15 11.142 27.897 31.833 1.00 10.94 C ATOM 0 H LEU A 15 14.589 28.395 29.427 1.00 11.12 H new ATOM 0 HA LEU A 15 13.922 28.538 32.025 1.00 11.31 H new ATOM 0 HB2 LEU A 15 13.654 26.389 30.250 1.00 10.85 H new ATOM 0 HB3 LEU A 15 13.256 26.298 31.755 1.00 10.85 H new ATOM 0 HG LEU A 15 11.930 27.871 29.886 1.00 11.39 H new ATOM 0 HD11 LEU A 15 10.130 26.309 30.052 1.00 10.53 H new ATOM 0 HD12 LEU A 15 11.432 25.591 29.507 1.00 10.53 H new ATOM 0 HD13 LEU A 15 11.012 25.423 31.025 1.00 10.53 H new ATOM 0 HD21 LEU A 15 10.232 28.119 31.582 1.00 10.94 H new ATOM 0 HD22 LEU A 15 11.129 27.271 32.574 1.00 10.94 H new ATOM 0 HD23 LEU A 15 11.609 28.704 32.101 1.00 10.94 H new ATOM 130 N GLY A 16 16.756 27.953 31.531 1.00 8.93 N ATOM 131 CA GLY A 16 18.054 27.696 32.050 1.00 9.14 C ATOM 132 C GLY A 16 18.654 26.298 31.889 1.00 10.23 C ATOM 133 O GLY A 16 19.398 25.876 32.797 1.00 8.76 O ATOM 0 H GLY A 16 16.782 28.444 30.826 1.00 8.93 H new ATOM 0 HA2 GLY A 16 18.665 28.326 31.637 1.00 9.14 H new ATOM 0 HA3 GLY A 16 18.036 27.899 32.998 1.00 9.14 H new ATOM 134 N MET A 17 18.358 25.675 30.767 1.00 9.67 N ATOM 135 CA MET A 17 18.886 24.307 30.535 1.00 11.34 C ATOM 136 C MET A 17 20.270 24.313 29.937 1.00 10.59 C ATOM 137 O MET A 17 20.931 23.252 30.020 1.00 10.16 O ATOM 138 CB MET A 17 17.909 23.581 29.592 1.00 12.37 C ATOM 139 CG MET A 17 16.598 23.544 30.338 1.00 15.58 C ATOM 140 SD MET A 17 16.776 22.142 31.509 1.00 19.52 S ATOM 141 CE MET A 17 15.920 20.938 30.403 1.00 18.67 C ATOM 0 H MET A 17 17.871 25.997 30.135 1.00 9.67 H new ATOM 0 HA MET A 17 18.958 23.852 31.389 1.00 11.34 H new ATOM 0 HB2 MET A 17 17.820 24.052 28.749 1.00 12.37 H new ATOM 0 HB3 MET A 17 18.221 22.686 29.385 1.00 12.37 H new ATOM 0 HG2 MET A 17 16.435 24.377 30.807 1.00 15.58 H new ATOM 0 HG3 MET A 17 15.851 23.407 29.734 1.00 15.58 H new ATOM 0 HE1 MET A 17 15.875 20.073 30.839 1.00 18.67 H new ATOM 0 HE2 MET A 17 15.022 21.252 30.216 1.00 18.67 H new ATOM 0 HE3 MET A 17 16.413 20.855 29.572 1.00 18.67 H new ATOM 142 N ASP A 18 20.660 25.430 29.323 1.00 11.07 N ATOM 143 CA ASP A 18 21.985 25.444 28.650 1.00 11.58 C ATOM 144 C ASP A 18 23.090 25.312 29.684 1.00 11.54 C ATOM 145 O ASP A 18 23.256 26.221 30.511 1.00 12.48 O ATOM 146 CB ASP A 18 22.151 26.551 27.628 1.00 12.79 C ATOM 147 CG ASP A 18 23.353 26.340 26.708 1.00 14.87 C ATOM 148 OD1 ASP A 18 23.844 25.212 26.395 1.00 13.78 O ATOM 149 OD2 ASP A 18 23.854 27.409 26.286 1.00 15.53 O ATOM 0 H ASP A 18 20.208 26.160 29.278 1.00 11.07 H new ATOM 0 HA ASP A 18 22.053 24.660 28.082 1.00 11.58 H new ATOM 0 HB2 ASP A 18 21.346 26.612 27.091 1.00 12.79 H new ATOM 0 HB3 ASP A 18 22.248 27.399 28.090 1.00 12.79 H new ATOM 150 N GLY A 19 23.821 24.202 29.653 1.00 11.19 N ATOM 151 CA GLY A 19 24.925 23.999 30.613 1.00 8.92 C ATOM 152 C GLY A 19 24.485 23.537 31.966 1.00 10.01 C ATOM 153 O GLY A 19 25.334 23.446 32.855 1.00 9.76 O ATOM 0 H GLY A 19 23.703 23.558 29.096 1.00 11.19 H new ATOM 0 HA2 GLY A 19 25.544 23.348 30.246 1.00 8.92 H new ATOM 0 HA3 GLY A 19 25.413 24.832 30.710 1.00 8.92 H new ATOM 154 N TYR A 20 23.206 23.222 32.187 1.00 10.72 N ATOM 155 CA TYR A 20 22.699 22.729 33.475 1.00 10.68 C ATOM 156 C TYR A 20 23.454 21.438 33.865 1.00 11.81 C ATOM 157 O TYR A 20 23.407 20.471 33.093 1.00 8.86 O ATOM 158 CB TYR A 20 21.162 22.464 33.491 1.00 10.10 C ATOM 159 CG TYR A 20 20.716 22.197 34.922 1.00 8.51 C ATOM 160 CD1 TYR A 20 20.554 23.204 35.849 1.00 9.66 C ATOM 161 CD2 TYR A 20 20.484 20.915 35.387 1.00 10.15 C ATOM 162 CE1 TYR A 20 20.152 22.962 37.160 1.00 12.19 C ATOM 163 CE2 TYR A 20 20.049 20.624 36.676 1.00 11.28 C ATOM 164 CZ TYR A 20 19.900 21.665 37.588 1.00 12.36 C ATOM 165 OH TYR A 20 19.504 21.393 38.873 1.00 13.80 O ATOM 0 H TYR A 20 22.597 23.290 31.583 1.00 10.72 H new ATOM 0 HA TYR A 20 22.859 23.434 34.122 1.00 10.68 H new ATOM 0 HB2 TYR A 20 20.687 23.229 33.130 1.00 10.10 H new ATOM 0 HB3 TYR A 20 20.948 21.705 32.927 1.00 10.10 H new ATOM 0 HD1 TYR A 20 20.720 24.081 35.588 1.00 9.66 H new ATOM 0 HD2 TYR A 20 20.627 20.205 34.803 1.00 10.15 H new ATOM 0 HE1 TYR A 20 20.052 23.672 37.752 1.00 12.19 H new ATOM 0 HE2 TYR A 20 19.861 19.748 36.924 1.00 11.28 H new ATOM 0 HH TYR A 20 19.069 22.044 39.176 1.00 13.80 H new ATOM 166 N ARG A 21 24.122 21.486 35.010 1.00 10.93 N ATOM 167 CA ARG A 21 24.903 20.336 35.479 1.00 14.07 C ATOM 168 C ARG A 21 25.818 19.781 34.389 1.00 12.80 C ATOM 169 O ARG A 21 26.069 18.561 34.258 1.00 12.76 O ATOM 170 CB ARG A 21 23.998 19.192 35.995 1.00 18.71 C ATOM 171 CG ARG A 21 23.214 19.552 37.238 1.00 23.58 C ATOM 172 CD ARG A 21 24.055 19.598 38.455 1.00 28.96 C ATOM 173 NE ARG A 21 24.247 18.311 39.120 1.00 32.74 N ATOM 174 CZ ARG A 21 25.219 18.115 40.025 1.00 35.49 C ATOM 175 NH1 ARG A 21 26.159 19.017 40.319 1.00 35.72 N ATOM 176 NH2 ARG A 21 25.297 16.944 40.672 1.00 37.36 N ATOM 0 H ARG A 21 24.140 22.169 35.532 1.00 10.93 H new ATOM 0 HA ARG A 21 25.445 20.670 36.211 1.00 14.07 H new ATOM 0 HB2 ARG A 21 23.378 18.939 35.293 1.00 18.71 H new ATOM 0 HB3 ARG A 21 24.547 18.415 36.182 1.00 18.71 H new ATOM 0 HG2 ARG A 21 22.791 20.416 37.110 1.00 23.58 H new ATOM 0 HG3 ARG A 21 22.503 18.904 37.366 1.00 23.58 H new ATOM 0 HD2 ARG A 21 24.924 19.958 38.218 1.00 28.96 H new ATOM 0 HD3 ARG A 21 23.654 20.217 39.086 1.00 28.96 H new ATOM 0 HE ARG A 21 23.721 17.659 38.926 1.00 32.74 H new ATOM 0 HH11 ARG A 21 26.165 19.778 39.919 1.00 35.72 H new ATOM 0 HH12 ARG A 21 26.758 18.837 40.909 1.00 35.72 H new ATOM 0 HH21 ARG A 21 24.726 16.322 40.507 1.00 37.36 H new ATOM 0 HH22 ARG A 21 25.918 16.814 41.253 1.00 37.36 H new ATOM 177 N GLY A 22 26.311 20.674 33.549 1.00 10.74 N ATOM 178 CA GLY A 22 27.243 20.380 32.477 1.00 9.77 C ATOM 179 C GLY A 22 26.611 19.865 31.224 1.00 8.36 C ATOM 180 O GLY A 22 27.388 19.410 30.352 1.00 12.40 O ATOM 0 H GLY A 22 26.102 21.507 33.590 1.00 10.74 H new ATOM 0 HA2 GLY A 22 27.740 21.186 32.267 1.00 9.77 H new ATOM 0 HA3 GLY A 22 27.885 19.726 32.794 1.00 9.77 H new ATOM 181 N ILE A 23 25.316 19.937 31.078 1.00 8.17 N ATOM 182 CA ILE A 23 24.666 19.408 29.848 1.00 8.18 C ATOM 183 C ILE A 23 24.301 20.549 28.894 1.00 8.30 C ATOM 184 O ILE A 23 23.488 21.408 29.287 1.00 8.63 O ATOM 185 CB ILE A 23 23.390 18.602 30.275 1.00 8.47 C ATOM 186 CG1 ILE A 23 23.748 17.559 31.364 1.00 8.46 C ATOM 187 CG2 ILE A 23 22.621 18.036 29.066 1.00 8.50 C ATOM 188 CD1 ILE A 23 22.452 17.081 32.107 1.00 9.68 C ATOM 0 H ILE A 23 24.778 20.279 31.655 1.00 8.17 H new ATOM 0 HA ILE A 23 25.279 18.824 29.374 1.00 8.18 H new ATOM 0 HB ILE A 23 22.758 19.212 30.686 1.00 8.47 H new ATOM 0 HG12 ILE A 23 24.195 16.799 30.959 1.00 8.46 H new ATOM 0 HG13 ILE A 23 24.369 17.947 32.000 1.00 8.46 H new ATOM 0 HG21 ILE A 23 21.843 17.547 29.377 1.00 8.50 H new ATOM 0 HG22 ILE A 23 22.337 18.765 28.493 1.00 8.50 H new ATOM 0 HG23 ILE A 23 23.199 17.439 28.566 1.00 8.50 H new ATOM 0 HD11 ILE A 23 22.689 16.429 32.785 1.00 9.68 H new ATOM 0 HD12 ILE A 23 22.020 17.841 32.527 1.00 9.68 H new ATOM 0 HD13 ILE A 23 21.844 16.676 31.469 1.00 9.68 H new ATOM 189 N SER A 24 24.848 20.479 27.708 1.00 8.29 N ATOM 190 CA SER A 24 24.590 21.508 26.674 1.00 9.59 C ATOM 191 C SER A 24 23.153 21.468 26.219 1.00 8.53 C ATOM 192 O SER A 24 22.451 20.446 26.292 1.00 7.27 O ATOM 193 CB SER A 24 25.566 21.375 25.505 1.00 11.15 C ATOM 194 OG SER A 24 25.339 20.216 24.703 1.00 13.12 O ATOM 0 H SER A 24 25.378 19.849 27.459 1.00 8.29 H new ATOM 0 HA SER A 24 24.741 22.380 27.071 1.00 9.59 H new ATOM 0 HB2 SER A 24 25.499 22.165 24.946 1.00 11.15 H new ATOM 0 HB3 SER A 24 26.472 21.348 25.851 1.00 11.15 H new ATOM 0 HG SER A 24 25.706 20.317 23.954 1.00 13.12 H new ATOM 195 N LEU A 25 22.708 22.631 25.690 1.00 8.93 N ATOM 196 CA LEU A 25 21.334 22.726 25.164 1.00 9.24 C ATOM 197 C LEU A 25 21.054 21.685 24.063 1.00 8.94 C ATOM 198 O LEU A 25 19.953 21.139 24.005 1.00 8.95 O ATOM 199 CB LEU A 25 21.124 24.139 24.563 1.00 10.90 C ATOM 200 CG LEU A 25 19.675 24.394 24.119 1.00 12.01 C ATOM 201 CD1 LEU A 25 18.726 24.251 25.298 1.00 10.95 C ATOM 202 CD2 LEU A 25 19.566 25.829 23.571 1.00 12.69 C ATOM 0 H LEU A 25 23.173 23.352 25.630 1.00 8.93 H new ATOM 0 HA LEU A 25 20.726 22.556 25.901 1.00 9.24 H new ATOM 0 HB2 LEU A 25 21.377 24.806 25.221 1.00 10.90 H new ATOM 0 HB3 LEU A 25 21.715 24.252 23.802 1.00 10.90 H new ATOM 0 HG LEU A 25 19.436 23.747 23.437 1.00 12.01 H new ATOM 0 HD11 LEU A 25 17.816 24.414 25.003 1.00 10.95 H new ATOM 0 HD12 LEU A 25 18.792 23.353 25.660 1.00 10.95 H new ATOM 0 HD13 LEU A 25 18.963 24.894 25.985 1.00 10.95 H new ATOM 0 HD21 LEU A 25 18.654 25.999 23.288 1.00 12.69 H new ATOM 0 HD22 LEU A 25 19.812 26.460 24.265 1.00 12.69 H new ATOM 0 HD23 LEU A 25 20.164 25.933 22.814 1.00 12.69 H new ATOM 203 N ALA A 26 22.016 21.499 23.205 1.00 9.27 N ATOM 204 CA ALA A 26 21.930 20.560 22.064 1.00 9.27 C ATOM 205 C ALA A 26 21.667 19.135 22.578 1.00 9.08 C ATOM 206 O ALA A 26 20.954 18.376 21.901 1.00 9.00 O ATOM 207 CB ALA A 26 23.143 20.601 21.171 1.00 9.47 C ATOM 0 H ALA A 26 22.768 21.915 23.249 1.00 9.27 H new ATOM 0 HA ALA A 26 21.185 20.846 21.512 1.00 9.27 H new ATOM 0 HB1 ALA A 26 23.031 19.968 20.444 1.00 9.47 H new ATOM 0 HB2 ALA A 26 23.248 21.494 20.808 1.00 9.47 H new ATOM 0 HB3 ALA A 26 23.932 20.367 21.685 1.00 9.47 H new ATOM 208 N ASN A 27 22.241 18.805 23.727 1.00 8.91 N ATOM 209 CA ASN A 27 22.001 17.482 24.317 1.00 8.27 C ATOM 210 C ASN A 27 20.530 17.348 24.709 1.00 9.04 C ATOM 211 O ASN A 27 19.879 16.307 24.462 1.00 8.30 O ATOM 212 CB ASN A 27 22.975 17.203 25.470 1.00 8.45 C ATOM 213 CG ASN A 27 24.240 16.660 24.829 1.00 8.33 C ATOM 214 OD1 ASN A 27 24.243 15.546 24.283 1.00 9.90 O ATOM 215 ND2 ASN A 27 25.267 17.486 24.814 1.00 11.17 N ATOM 0 H ASN A 27 22.764 19.317 24.178 1.00 8.91 H new ATOM 0 HA ASN A 27 22.180 16.794 23.657 1.00 8.27 H new ATOM 0 HB2 ASN A 27 23.160 18.012 25.971 1.00 8.45 H new ATOM 0 HB3 ASN A 27 22.600 16.562 26.094 1.00 8.45 H new ATOM 0 HD21 ASN A 27 25.992 17.263 24.409 1.00 11.17 H new ATOM 0 HD22 ASN A 27 25.212 18.248 25.209 1.00 11.17 H new ATOM 216 N TRP A 28 19.992 18.347 25.415 1.00 7.88 N ATOM 217 CA TRP A 28 18.581 18.342 25.814 1.00 7.18 C ATOM 218 C TRP A 28 17.666 18.273 24.584 1.00 6.93 C ATOM 219 O TRP A 28 16.638 17.583 24.631 1.00 6.32 O ATOM 220 CB TRP A 28 18.255 19.570 26.658 1.00 6.99 C ATOM 221 CG TRP A 28 18.884 19.677 28.001 1.00 8.65 C ATOM 222 CD1 TRP A 28 19.885 20.533 28.400 1.00 8.95 C ATOM 223 CD2 TRP A 28 18.590 18.873 29.157 1.00 9.21 C ATOM 224 NE1 TRP A 28 20.206 20.341 29.705 1.00 9.60 N ATOM 225 CE2 TRP A 28 19.429 19.323 30.207 1.00 9.62 C ATOM 226 CE3 TRP A 28 17.684 17.820 29.362 1.00 9.18 C ATOM 227 CZ2 TRP A 28 19.395 18.806 31.488 1.00 11.35 C ATOM 228 CZ3 TRP A 28 17.667 17.284 30.632 1.00 9.83 C ATOM 229 CH2 TRP A 28 18.487 17.746 31.680 1.00 12.48 C ATOM 0 H TRP A 28 20.430 19.040 25.674 1.00 7.88 H new ATOM 0 HA TRP A 28 18.423 17.551 26.353 1.00 7.18 H new ATOM 0 HB2 TRP A 28 18.505 20.357 26.148 1.00 6.99 H new ATOM 0 HB3 TRP A 28 17.293 19.603 26.776 1.00 6.99 H new ATOM 0 HD1 TRP A 28 20.289 21.162 27.847 1.00 8.95 H new ATOM 0 HE1 TRP A 28 20.798 20.783 30.145 1.00 9.60 H new ATOM 0 HE3 TRP A 28 17.131 17.504 28.684 1.00 9.18 H new ATOM 0 HZ2 TRP A 28 19.932 19.134 32.173 1.00 11.35 H new ATOM 0 HZ3 TRP A 28 17.084 16.581 30.806 1.00 9.83 H new ATOM 0 HH2 TRP A 28 18.428 17.343 32.516 1.00 12.48 H new ATOM 230 N MET A 29 17.971 18.943 23.510 1.00 5.97 N ATOM 231 CA MET A 29 17.200 18.950 22.272 1.00 6.64 C ATOM 232 C MET A 29 17.244 17.512 21.672 1.00 7.51 C ATOM 233 O MET A 29 16.206 16.982 21.276 1.00 7.94 O ATOM 234 CB MET A 29 17.769 19.958 21.290 1.00 7.16 C ATOM 235 CG MET A 29 17.455 21.392 21.744 1.00 8.65 C ATOM 236 SD MET A 29 15.677 21.724 21.728 1.00 8.58 S ATOM 237 CE MET A 29 15.354 21.417 19.982 1.00 7.38 C ATOM 0 H MET A 29 18.672 19.440 23.466 1.00 5.97 H new ATOM 0 HA MET A 29 16.283 19.209 22.452 1.00 6.64 H new ATOM 0 HB2 MET A 29 18.729 19.839 21.217 1.00 7.16 H new ATOM 0 HB3 MET A 29 17.396 19.804 20.408 1.00 7.16 H new ATOM 0 HG2 MET A 29 17.803 21.532 22.639 1.00 8.65 H new ATOM 0 HG3 MET A 29 17.908 22.022 21.162 1.00 8.65 H new ATOM 0 HE1 MET A 29 14.506 21.818 19.734 1.00 7.38 H new ATOM 0 HE2 MET A 29 16.064 21.806 19.448 1.00 7.38 H new ATOM 0 HE3 MET A 29 15.317 20.461 19.823 1.00 7.38 H new ATOM 238 N CYS A 30 18.426 16.928 21.660 1.00 9.02 N ATOM 239 CA CYS A 30 18.634 15.552 21.174 1.00 8.14 C ATOM 240 C CYS A 30 17.723 14.603 21.960 1.00 8.95 C ATOM 241 O CYS A 30 16.947 13.823 21.384 1.00 8.48 O ATOM 242 CB CYS A 30 20.110 15.180 21.198 1.00 9.59 C ATOM 243 SG CYS A 30 20.397 13.542 20.373 1.00 11.69 S ATOM 0 H CYS A 30 19.145 17.312 21.934 1.00 9.02 H new ATOM 0 HA CYS A 30 18.380 15.476 20.241 1.00 8.14 H new ATOM 0 HB2 CYS A 30 20.627 15.867 20.749 1.00 9.59 H new ATOM 0 HB3 CYS A 30 20.423 15.143 22.115 1.00 9.59 H new ATOM 244 N LEU A 31 17.789 14.694 23.294 1.00 7.68 N ATOM 245 CA LEU A 31 16.943 13.858 24.150 1.00 9.54 C ATOM 246 C LEU A 31 15.467 14.042 23.885 1.00 9.82 C ATOM 247 O LEU A 31 14.755 13.024 23.732 1.00 9.08 O ATOM 248 CB LEU A 31 17.301 14.131 25.644 1.00 7.82 C ATOM 249 CG LEU A 31 16.402 13.375 26.629 1.00 7.78 C ATOM 250 CD1 LEU A 31 16.831 11.888 26.750 1.00 9.37 C ATOM 251 CD2 LEU A 31 16.601 13.993 28.014 1.00 7.84 C ATOM 0 H LEU A 31 18.312 15.229 23.718 1.00 7.68 H new ATOM 0 HA LEU A 31 17.125 12.929 23.938 1.00 9.54 H new ATOM 0 HB2 LEU A 31 18.225 13.880 25.800 1.00 7.82 H new ATOM 0 HB3 LEU A 31 17.233 15.083 25.818 1.00 7.82 H new ATOM 0 HG LEU A 31 15.486 13.431 26.315 1.00 7.78 H new ATOM 0 HD11 LEU A 31 16.248 11.433 27.378 1.00 9.37 H new ATOM 0 HD12 LEU A 31 16.767 11.461 25.881 1.00 9.37 H new ATOM 0 HD13 LEU A 31 17.747 11.840 27.067 1.00 9.37 H new ATOM 0 HD21 LEU A 31 16.042 13.531 28.658 1.00 7.84 H new ATOM 0 HD22 LEU A 31 17.531 13.909 28.275 1.00 7.84 H new ATOM 0 HD23 LEU A 31 16.357 14.931 27.988 1.00 7.84 H new ATOM 252 N ALA A 32 14.933 15.268 23.854 1.00 7.94 N ATOM 253 CA ALA A 32 13.516 15.480 23.604 1.00 8.43 C ATOM 254 C ALA A 32 13.064 14.934 22.244 1.00 8.64 C ATOM 255 O ALA A 32 11.911 14.491 22.063 1.00 9.54 O ATOM 256 CB ALA A 32 13.207 17.016 23.688 1.00 6.76 C ATOM 0 H ALA A 32 15.383 15.990 23.977 1.00 7.94 H new ATOM 0 HA ALA A 32 13.022 14.992 24.281 1.00 8.43 H new ATOM 0 HB1 ALA A 32 12.263 17.166 23.522 1.00 6.76 H new ATOM 0 HB2 ALA A 32 13.436 17.344 24.572 1.00 6.76 H new ATOM 0 HB3 ALA A 32 13.731 17.489 23.022 1.00 6.76 H new ATOM 257 N LYS A 33 13.968 15.022 21.297 1.00 8.32 N ATOM 258 CA LYS A 33 13.714 14.594 19.911 1.00 10.56 C ATOM 259 C LYS A 33 13.469 13.087 19.852 1.00 11.40 C ATOM 260 O LYS A 33 12.447 12.684 19.275 1.00 10.64 O ATOM 261 CB LYS A 33 14.810 15.048 18.991 1.00 11.16 C ATOM 262 CG LYS A 33 14.899 14.494 17.601 1.00 16.47 C ATOM 263 CD LYS A 33 13.635 14.447 16.821 1.00 18.34 C ATOM 264 CE LYS A 33 13.892 13.841 15.422 1.00 21.83 C ATOM 265 NZ LYS A 33 15.123 12.993 15.511 1.00 25.16 N ATOM 0 H LYS A 33 14.759 15.333 21.426 1.00 8.32 H new ATOM 0 HA LYS A 33 12.904 15.023 19.595 1.00 10.56 H new ATOM 0 HB2 LYS A 33 14.740 16.012 18.913 1.00 11.16 H new ATOM 0 HB3 LYS A 33 15.653 14.859 19.431 1.00 11.16 H new ATOM 0 HG2 LYS A 33 15.542 15.024 17.104 1.00 16.47 H new ATOM 0 HG3 LYS A 33 15.255 13.593 17.656 1.00 16.47 H new ATOM 0 HD2 LYS A 33 12.975 13.917 17.294 1.00 18.34 H new ATOM 0 HD3 LYS A 33 13.269 15.341 16.731 1.00 18.34 H new ATOM 0 HE2 LYS A 33 13.133 13.309 15.137 1.00 21.83 H new ATOM 0 HE3 LYS A 33 14.010 14.543 14.763 1.00 21.83 H new ATOM 0 HZ1 LYS A 33 15.228 12.541 14.752 1.00 25.16 H new ATOM 0 HZ2 LYS A 33 15.833 13.513 15.647 1.00 25.16 H new ATOM 0 HZ3 LYS A 33 15.041 12.421 16.187 1.00 25.16 H new ATOM 266 N TRP A 34 14.398 12.325 20.433 1.00 10.95 N ATOM 267 CA TRP A 34 14.269 10.833 20.412 1.00 12.13 C ATOM 268 C TRP A 34 13.262 10.336 21.425 1.00 12.07 C ATOM 269 O TRP A 34 12.657 9.275 21.236 1.00 12.32 O ATOM 270 CB TRP A 34 15.647 10.184 20.531 1.00 10.53 C ATOM 271 CG TRP A 34 16.427 10.592 19.315 1.00 12.17 C ATOM 272 CD1 TRP A 34 17.348 11.583 19.186 1.00 11.00 C ATOM 273 CD2 TRP A 34 16.266 9.990 18.022 1.00 12.41 C ATOM 274 NE1 TRP A 34 17.788 11.618 17.878 1.00 12.91 N ATOM 275 CE2 TRP A 34 17.159 10.659 17.155 1.00 14.10 C ATOM 276 CE3 TRP A 34 15.475 8.963 17.533 1.00 13.67 C ATOM 277 CZ2 TRP A 34 17.268 10.331 15.805 1.00 15.29 C ATOM 278 CZ3 TRP A 34 15.600 8.628 16.197 1.00 13.69 C ATOM 279 CH2 TRP A 34 16.473 9.273 15.342 1.00 16.59 C ATOM 0 H TRP A 34 15.095 12.625 20.837 1.00 10.95 H new ATOM 0 HA TRP A 34 13.906 10.560 19.555 1.00 12.13 H new ATOM 0 HB2 TRP A 34 16.095 10.475 21.340 1.00 10.53 H new ATOM 0 HB3 TRP A 34 15.569 9.218 20.581 1.00 10.53 H new ATOM 0 HD1 TRP A 34 17.635 12.146 19.868 1.00 11.00 H new ATOM 0 HE1 TRP A 34 18.374 12.166 17.568 1.00 12.91 H new ATOM 0 HE3 TRP A 34 14.878 8.513 18.086 1.00 13.67 H new ATOM 0 HZ2 TRP A 34 17.842 10.793 15.237 1.00 15.29 H new ATOM 0 HZ3 TRP A 34 15.074 7.939 15.860 1.00 13.69 H new ATOM 0 HH2 TRP A 34 16.534 9.004 14.454 1.00 16.59 H new ATOM 280 N GLU A 35 13.010 11.086 22.479 1.00 11.26 N ATOM 281 CA GLU A 35 12.036 10.611 23.454 1.00 11.25 C ATOM 282 C GLU A 35 10.604 10.809 23.054 1.00 11.34 C ATOM 283 O GLU A 35 9.816 9.863 23.131 1.00 9.92 O ATOM 284 CB GLU A 35 12.314 11.231 24.828 1.00 13.32 C ATOM 285 CG GLU A 35 13.615 10.791 25.528 1.00 14.97 C ATOM 286 CD GLU A 35 13.630 9.325 25.904 1.00 16.95 C ATOM 287 OE1 GLU A 35 12.586 8.694 25.968 1.00 15.40 O ATOM 288 OE2 GLU A 35 14.793 8.915 26.111 1.00 18.32 O ATOM 0 H GLU A 35 13.374 11.846 22.651 1.00 11.26 H new ATOM 0 HA GLU A 35 12.153 9.649 23.498 1.00 11.25 H new ATOM 0 HB2 GLU A 35 12.334 12.196 24.728 1.00 13.32 H new ATOM 0 HB3 GLU A 35 11.569 11.022 25.412 1.00 13.32 H new ATOM 0 HG2 GLU A 35 14.367 10.976 24.944 1.00 14.97 H new ATOM 0 HG3 GLU A 35 13.740 11.324 26.328 1.00 14.97 H new ATOM 289 N SER A 36 10.201 12.008 22.628 1.00 10.65 N ATOM 290 CA SER A 36 8.846 12.333 22.289 1.00 10.54 C ATOM 291 C SER A 36 8.575 12.934 20.924 1.00 10.65 C ATOM 292 O SER A 36 7.382 13.112 20.623 1.00 10.73 O ATOM 293 CB SER A 36 8.309 13.404 23.307 1.00 10.16 C ATOM 294 OG SER A 36 9.127 14.596 23.295 1.00 9.45 O ATOM 0 H SER A 36 10.741 12.670 22.530 1.00 10.65 H new ATOM 0 HA SER A 36 8.413 11.465 22.306 1.00 10.54 H new ATOM 0 HB2 SER A 36 7.394 13.635 23.084 1.00 10.16 H new ATOM 0 HB3 SER A 36 8.297 13.027 24.200 1.00 10.16 H new ATOM 0 HG SER A 36 9.686 14.559 23.921 1.00 9.45 H new ATOM 295 N GLY A 37 9.624 13.288 20.200 1.00 10.99 N ATOM 296 CA GLY A 37 9.442 13.990 18.903 1.00 10.63 C ATOM 297 C GLY A 37 8.918 15.395 19.209 1.00 11.36 C ATOM 298 O GLY A 37 8.154 16.027 18.450 1.00 11.84 O ATOM 0 H GLY A 37 10.442 13.142 20.422 1.00 10.99 H new ATOM 0 HA2 GLY A 37 10.282 14.037 18.420 1.00 10.63 H new ATOM 0 HA3 GLY A 37 8.817 13.508 18.339 1.00 10.63 H new ATOM 299 N TYR A 38 9.306 15.932 20.358 1.00 10.55 N ATOM 300 CA TYR A 38 8.931 17.261 20.826 1.00 11.66 C ATOM 301 C TYR A 38 7.441 17.358 21.121 1.00 12.01 C ATOM 302 O TYR A 38 6.880 18.464 21.055 1.00 13.85 O ATOM 303 CB TYR A 38 9.327 18.341 19.770 1.00 11.17 C ATOM 304 CG TYR A 38 10.736 18.359 19.245 1.00 9.50 C ATOM 305 CD1 TYR A 38 11.818 18.122 20.084 1.00 9.41 C ATOM 306 CD2 TYR A 38 11.000 18.629 17.904 1.00 7.86 C ATOM 307 CE1 TYR A 38 13.121 18.154 19.592 1.00 10.21 C ATOM 308 CE2 TYR A 38 12.302 18.689 17.389 1.00 8.49 C ATOM 309 CZ TYR A 38 13.355 18.425 18.258 1.00 10.10 C ATOM 310 OH TYR A 38 14.672 18.437 17.860 1.00 9.88 O ATOM 0 H TYR A 38 9.817 15.515 20.910 1.00 10.55 H new ATOM 0 HA TYR A 38 9.413 17.422 21.653 1.00 11.66 H new ATOM 0 HB2 TYR A 38 8.732 18.241 19.011 1.00 11.17 H new ATOM 0 HB3 TYR A 38 9.147 19.211 20.159 1.00 11.17 H new ATOM 0 HD1 TYR A 38 11.671 17.940 20.984 1.00 9.41 H new ATOM 0 HD2 TYR A 38 10.284 18.775 17.328 1.00 7.86 H new ATOM 0 HE1 TYR A 38 13.836 17.992 20.164 1.00 10.21 H new ATOM 0 HE2 TYR A 38 12.457 18.898 16.496 1.00 8.49 H new ATOM 0 HH TYR A 38 15.166 18.270 18.519 1.00 9.88 H new ATOM 311 N ASN A 39 6.759 16.308 21.493 1.00 11.14 N ATOM 312 CA ASN A 39 5.335 16.232 21.788 1.00 9.90 C ATOM 313 C ASN A 39 5.113 16.235 23.292 1.00 10.42 C ATOM 314 O ASN A 39 5.560 15.282 23.974 1.00 9.79 O ATOM 315 CB ASN A 39 4.767 14.965 21.082 1.00 12.24 C ATOM 316 CG ASN A 39 3.272 14.830 21.154 1.00 12.72 C ATOM 317 OD1 ASN A 39 2.565 15.716 21.674 1.00 15.17 O ATOM 318 ND2 ASN A 39 2.680 13.806 20.557 1.00 12.75 N ATOM 0 H ASN A 39 7.143 15.545 21.592 1.00 11.14 H new ATOM 0 HA ASN A 39 4.859 17.006 21.448 1.00 9.90 H new ATOM 0 HB2 ASN A 39 5.035 14.981 20.150 1.00 12.24 H new ATOM 0 HB3 ASN A 39 5.171 14.178 21.480 1.00 12.24 H new ATOM 0 HD21 ASN A 39 1.822 13.760 20.533 1.00 12.75 H new ATOM 0 HD22 ASN A 39 3.154 13.187 20.194 1.00 12.75 H new ATOM 319 N THR A 40 4.392 17.220 23.799 1.00 8.36 N ATOM 320 CA THR A 40 4.153 17.263 25.235 1.00 10.43 C ATOM 321 C THR A 40 3.161 16.219 25.728 1.00 11.38 C ATOM 322 O THR A 40 3.202 15.940 26.939 1.00 11.64 O ATOM 323 CB THR A 40 3.731 18.699 25.794 1.00 10.42 C ATOM 324 OG1 THR A 40 2.408 18.978 25.242 1.00 10.09 O ATOM 325 CG2 THR A 40 4.744 19.789 25.513 1.00 8.72 C ATOM 0 H THR A 40 4.039 17.860 23.345 1.00 8.36 H new ATOM 0 HA THR A 40 5.027 17.050 25.598 1.00 10.43 H new ATOM 0 HB THR A 40 3.702 18.686 26.763 1.00 10.42 H new ATOM 0 HG1 THR A 40 1.921 19.315 25.838 1.00 10.09 H new ATOM 0 HG21 THR A 40 4.425 20.629 25.878 1.00 8.72 H new ATOM 0 HG22 THR A 40 5.591 19.558 25.926 1.00 8.72 H new ATOM 0 HG23 THR A 40 4.866 19.879 24.555 1.00 8.72 H new ATOM 326 N ARG A 41 2.326 15.716 24.860 1.00 12.71 N ATOM 327 CA ARG A 41 1.281 14.733 25.252 1.00 15.86 C ATOM 328 C ARG A 41 1.757 13.288 25.169 1.00 14.53 C ATOM 329 O ARG A 41 0.974 12.414 25.550 1.00 15.91 O ATOM 330 CB ARG A 41 0.090 14.947 24.306 1.00 21.00 C ATOM 331 CG ARG A 41 -1.205 14.222 24.574 1.00 28.96 C ATOM 332 CD ARG A 41 -2.057 14.090 23.338 1.00 34.05 C ATOM 333 NE ARG A 41 -3.135 13.097 23.442 1.00 37.04 N ATOM 334 CZ ARG A 41 -2.882 11.794 23.634 1.00 40.09 C ATOM 335 NH1 ARG A 41 -1.640 11.336 23.855 1.00 40.65 N ATOM 336 NH2 ARG A 41 -3.869 10.893 23.652 1.00 41.49 N ATOM 0 H ARG A 41 2.327 15.917 24.024 1.00 12.71 H new ATOM 0 HA ARG A 41 1.043 14.880 26.181 1.00 15.86 H new ATOM 0 HB2 ARG A 41 -0.105 15.897 24.293 1.00 21.00 H new ATOM 0 HB3 ARG A 41 0.380 14.705 23.413 1.00 21.00 H new ATOM 0 HG2 ARG A 41 -1.011 13.339 24.926 1.00 28.96 H new ATOM 0 HG3 ARG A 41 -1.703 14.697 25.258 1.00 28.96 H new ATOM 0 HD2 ARG A 41 -2.448 14.954 23.135 1.00 34.05 H new ATOM 0 HD3 ARG A 41 -1.487 13.854 22.590 1.00 34.05 H new ATOM 0 HE ARG A 41 -3.952 13.359 23.378 1.00 37.04 H new ATOM 0 HH11 ARG A 41 -0.977 11.884 23.877 1.00 40.65 H new ATOM 0 HH12 ARG A 41 -1.507 10.495 23.975 1.00 40.65 H new ATOM 0 HH21 ARG A 41 -4.683 11.145 23.539 1.00 41.49 H new ATOM 0 HH22 ARG A 41 -3.690 10.061 23.776 1.00 41.49 H new ATOM 337 N ALA A 42 2.939 13.032 24.684 1.00 13.68 N ATOM 338 CA ALA A 42 3.495 11.683 24.520 1.00 14.22 C ATOM 339 C ALA A 42 3.428 10.847 25.799 1.00 13.89 C ATOM 340 O ALA A 42 3.778 11.330 26.869 1.00 10.72 O ATOM 341 CB ALA A 42 4.960 11.773 24.042 1.00 14.43 C ATOM 0 H ALA A 42 3.476 13.652 24.425 1.00 13.68 H new ATOM 0 HA ALA A 42 2.947 11.235 23.856 1.00 14.22 H new ATOM 0 HB1 ALA A 42 5.321 10.879 23.936 1.00 14.43 H new ATOM 0 HB2 ALA A 42 4.995 12.239 23.192 1.00 14.43 H new ATOM 0 HB3 ALA A 42 5.485 12.258 24.698 1.00 14.43 H new ATOM 342 N THR A 43 3.022 9.571 25.610 1.00 14.23 N ATOM 343 CA THR A 43 2.984 8.635 26.759 1.00 14.84 C ATOM 344 C THR A 43 3.412 7.241 26.248 1.00 15.57 C ATOM 345 O THR A 43 3.008 6.854 25.150 1.00 15.85 O ATOM 346 CB THR A 43 1.647 8.459 27.544 1.00 16.66 C ATOM 347 OG1 THR A 43 0.691 7.953 26.545 1.00 18.57 O ATOM 348 CG2 THR A 43 1.111 9.670 28.291 1.00 17.24 C ATOM 0 H THR A 43 2.774 9.239 24.856 1.00 14.23 H new ATOM 0 HA THR A 43 3.579 9.047 27.406 1.00 14.84 H new ATOM 0 HB THR A 43 1.803 7.852 28.285 1.00 16.66 H new ATOM 0 HG1 THR A 43 -0.057 7.834 26.908 1.00 18.57 H new ATOM 0 HG21 THR A 43 0.282 9.435 28.736 1.00 17.24 H new ATOM 0 HG22 THR A 43 1.761 9.957 28.951 1.00 17.24 H new ATOM 0 HG23 THR A 43 0.948 10.391 27.663 1.00 17.24 H new ATOM 349 N ASN A 44 4.191 6.570 27.068 1.00 15.53 N ATOM 350 CA ASN A 44 4.679 5.214 26.724 1.00 17.09 C ATOM 351 C ASN A 44 4.500 4.279 27.925 1.00 15.22 C ATOM 352 O ASN A 44 5.176 4.513 28.910 1.00 13.85 O ATOM 353 CB ASN A 44 6.181 5.236 26.388 1.00 20.19 C ATOM 354 CG ASN A 44 6.655 3.805 26.127 1.00 22.74 C ATOM 355 OD1 ASN A 44 7.567 3.342 26.960 1.00 25.02 O flip ATOM 356 ND2 ASN A 44 6.141 3.155 25.183 1.00 24.27 N flip ATOM 0 H ASN A 44 4.458 6.865 27.830 1.00 15.53 H new ATOM 0 HA ASN A 44 4.170 4.907 25.957 1.00 17.09 H new ATOM 0 HB2 ASN A 44 6.342 5.789 25.608 1.00 20.19 H new ATOM 0 HB3 ASN A 44 6.682 5.626 27.121 1.00 20.19 H new ATOM 0 HD21 ASN A 44 5.550 3.524 24.679 1.00 24.27 H new ATOM 0 HD22 ASN A 44 6.380 2.341 25.041 1.00 24.27 H new ATOM 357 N TYR A 45 3.683 3.275 27.753 1.00 17.00 N ATOM 358 CA TYR A 45 3.441 2.271 28.799 1.00 16.44 C ATOM 359 C TYR A 45 4.483 1.156 28.647 1.00 17.02 C ATOM 360 O TYR A 45 4.656 0.573 27.576 1.00 17.31 O ATOM 361 CB TYR A 45 2.025 1.641 28.634 1.00 16.82 C ATOM 362 CG TYR A 45 1.779 0.580 29.693 1.00 16.05 C ATOM 363 CD1 TYR A 45 1.906 0.948 31.026 1.00 15.64 C ATOM 364 CD2 TYR A 45 1.426 -0.745 29.356 1.00 16.37 C ATOM 365 CE1 TYR A 45 1.725 0.014 32.052 1.00 15.57 C ATOM 366 CE2 TYR A 45 1.186 -1.684 30.375 1.00 14.87 C ATOM 367 CZ TYR A 45 1.326 -1.290 31.690 1.00 14.99 C ATOM 368 OH TYR A 45 1.186 -2.107 32.763 1.00 17.53 O ATOM 0 H TYR A 45 3.241 3.140 27.028 1.00 17.00 H new ATOM 0 HA TYR A 45 3.502 2.696 29.669 1.00 16.44 H new ATOM 0 HB2 TYR A 45 1.349 2.333 28.701 1.00 16.82 H new ATOM 0 HB3 TYR A 45 1.942 1.248 27.751 1.00 16.82 H new ATOM 0 HD1 TYR A 45 2.115 1.829 31.240 1.00 15.64 H new ATOM 0 HD2 TYR A 45 1.352 -0.996 28.463 1.00 16.37 H new ATOM 0 HE1 TYR A 45 1.863 0.245 32.942 1.00 15.57 H new ATOM 0 HE2 TYR A 45 0.937 -2.555 30.166 1.00 14.87 H new ATOM 0 HH TYR A 45 0.959 -1.654 33.433 1.00 17.53 H new ATOM 369 N ASN A 46 5.148 0.840 29.740 1.00 17.62 N ATOM 370 CA ASN A 46 6.173 -0.227 29.811 1.00 17.65 C ATOM 371 C ASN A 46 5.448 -1.449 30.392 1.00 17.15 C ATOM 372 O ASN A 46 5.346 -1.561 31.626 1.00 16.49 O ATOM 373 CB ASN A 46 7.363 0.305 30.608 1.00 16.33 C ATOM 374 CG ASN A 46 7.828 1.620 29.984 1.00 18.73 C ATOM 375 OD1 ASN A 46 7.851 2.698 30.749 1.00 19.89 O flip ATOM 376 ND2 ASN A 46 8.112 1.669 28.772 1.00 18.40 N flip ATOM 0 H ASN A 46 5.024 1.241 30.490 1.00 17.62 H new ATOM 0 HA ASN A 46 6.557 -0.498 28.962 1.00 17.65 H new ATOM 0 HB2 ASN A 46 7.111 0.444 31.534 1.00 16.33 H new ATOM 0 HB3 ASN A 46 8.086 -0.342 30.604 1.00 16.33 H new ATOM 0 HD21 ASN A 46 8.090 0.953 28.296 1.00 18.40 H new ATOM 0 HD22 ASN A 46 8.331 2.419 28.412 1.00 18.40 H new ATOM 377 N ALA A 47 4.936 -2.308 29.515 1.00 17.51 N ATOM 378 CA ALA A 47 4.192 -3.488 30.010 1.00 18.54 C ATOM 379 C ALA A 47 5.011 -4.377 30.960 1.00 17.55 C ATOM 380 O ALA A 47 4.510 -4.997 31.895 1.00 17.32 O ATOM 381 CB ALA A 47 3.650 -4.315 28.863 1.00 18.02 C ATOM 0 H ALA A 47 4.998 -2.240 28.660 1.00 17.51 H new ATOM 0 HA ALA A 47 3.453 -3.131 30.527 1.00 18.54 H new ATOM 0 HB1 ALA A 47 3.168 -5.080 29.215 1.00 18.02 H new ATOM 0 HB2 ALA A 47 3.049 -3.773 28.328 1.00 18.02 H new ATOM 0 HB3 ALA A 47 4.385 -4.623 28.310 1.00 18.02 H new ATOM 382 N GLY A 48 6.278 -4.409 30.695 1.00 18.76 N ATOM 383 CA GLY A 48 7.342 -5.145 31.370 1.00 18.71 C ATOM 384 C GLY A 48 7.493 -4.806 32.829 1.00 18.53 C ATOM 385 O GLY A 48 7.722 -5.739 33.629 1.00 17.85 O ATOM 0 H GLY A 48 6.592 -3.950 30.039 1.00 18.76 H new ATOM 0 HA2 GLY A 48 7.169 -6.096 31.285 1.00 18.71 H new ATOM 0 HA3 GLY A 48 8.182 -4.968 30.918 1.00 18.71 H new ATOM 386 N ASP A 49 7.375 -3.510 33.200 1.00 18.63 N ATOM 387 CA ASP A 49 7.529 -3.198 34.644 1.00 17.72 C ATOM 388 C ASP A 49 6.319 -2.458 35.188 1.00 17.12 C ATOM 389 O ASP A 49 6.389 -2.078 36.368 1.00 18.18 O ATOM 390 CB ASP A 49 8.830 -2.501 35.004 1.00 18.62 C ATOM 391 CG ASP A 49 8.830 -1.011 34.659 1.00 20.48 C ATOM 392 OD1 ASP A 49 8.056 -0.558 33.806 1.00 19.33 O ATOM 393 OD2 ASP A 49 9.653 -0.301 35.285 1.00 22.34 O ATOM 0 H ASP A 49 7.219 -2.844 32.678 1.00 18.63 H new ATOM 0 HA ASP A 49 7.580 -4.060 35.086 1.00 17.72 H new ATOM 0 HB2 ASP A 49 8.995 -2.607 35.954 1.00 18.62 H new ATOM 0 HB3 ASP A 49 9.562 -2.935 34.539 1.00 18.62 H new ATOM 394 N ARG A 50 5.321 -2.256 34.386 1.00 17.29 N ATOM 395 CA ARG A 50 4.081 -1.569 34.763 1.00 17.39 C ATOM 396 C ARG A 50 4.281 -0.085 35.083 1.00 16.14 C ATOM 397 O ARG A 50 3.495 0.497 35.871 1.00 16.16 O ATOM 398 CB ARG A 50 3.417 -2.311 35.944 1.00 20.06 C ATOM 399 CG ARG A 50 2.894 -3.686 35.472 1.00 22.15 C ATOM 400 CD ARG A 50 2.343 -4.458 36.614 1.00 26.25 C ATOM 401 NE ARG A 50 1.666 -5.669 36.241 1.00 30.26 N ATOM 402 CZ ARG A 50 0.581 -6.012 35.568 1.00 31.99 C ATOM 403 NH1 ARG A 50 -0.267 -5.201 34.932 1.00 31.80 N ATOM 404 NH2 ARG A 50 0.274 -7.334 35.583 1.00 32.05 N ATOM 0 H ARG A 50 5.326 -2.518 33.567 1.00 17.29 H new ATOM 0 HA ARG A 50 3.493 -1.591 33.992 1.00 17.39 H new ATOM 0 HB2 ARG A 50 4.057 -2.429 36.663 1.00 20.06 H new ATOM 0 HB3 ARG A 50 2.685 -1.782 36.299 1.00 20.06 H new ATOM 0 HG2 ARG A 50 2.207 -3.562 34.798 1.00 22.15 H new ATOM 0 HG3 ARG A 50 3.614 -4.185 35.055 1.00 22.15 H new ATOM 0 HD2 ARG A 50 3.067 -4.679 37.220 1.00 26.25 H new ATOM 0 HD3 ARG A 50 1.725 -3.893 37.104 1.00 26.25 H new ATOM 0 HE ARG A 50 2.081 -6.362 36.537 1.00 30.26 H new ATOM 0 HH11 ARG A 50 -0.132 -4.352 34.933 1.00 31.80 H new ATOM 0 HH12 ARG A 50 -0.948 -5.528 34.521 1.00 31.80 H new ATOM 0 HH21 ARG A 50 0.774 -7.887 36.012 1.00 32.05 H new ATOM 0 HH22 ARG A 50 -0.420 -7.619 35.163 1.00 32.05 H new ATOM 405 N SER A 51 5.277 0.512 34.423 1.00 12.80 N ATOM 406 CA SER A 51 5.468 1.983 34.654 1.00 11.47 C ATOM 407 C SER A 51 5.077 2.670 33.338 1.00 10.04 C ATOM 408 O SER A 51 4.926 2.005 32.288 1.00 10.33 O ATOM 409 CB SER A 51 6.898 2.274 35.093 1.00 9.29 C ATOM 410 OG SER A 51 7.766 1.951 34.009 1.00 12.04 O ATOM 0 H SER A 51 5.823 0.135 33.876 1.00 12.80 H new ATOM 0 HA SER A 51 4.914 2.323 35.374 1.00 11.47 H new ATOM 0 HB2 SER A 51 6.994 3.208 35.338 1.00 9.29 H new ATOM 0 HB3 SER A 51 7.125 1.750 35.877 1.00 9.29 H new ATOM 0 HG SER A 51 7.786 1.118 33.905 1.00 12.04 H new ATOM 411 N THR A 52 4.930 3.992 33.394 1.00 8.19 N ATOM 412 CA THR A 52 4.629 4.782 32.175 1.00 9.04 C ATOM 413 C THR A 52 5.616 5.990 32.137 1.00 8.23 C ATOM 414 O THR A 52 5.983 6.563 33.154 1.00 5.42 O ATOM 415 CB THR A 52 3.146 5.289 32.223 1.00 10.52 C ATOM 416 OG1 THR A 52 2.319 4.072 32.306 1.00 12.46 O ATOM 417 CG2 THR A 52 2.741 6.214 31.050 1.00 11.72 C ATOM 0 H THR A 52 4.998 4.456 34.115 1.00 8.19 H new ATOM 0 HA THR A 52 4.735 4.239 31.379 1.00 9.04 H new ATOM 0 HB THR A 52 3.017 5.867 32.991 1.00 10.52 H new ATOM 0 HG1 THR A 52 1.576 4.213 31.941 1.00 12.46 H new ATOM 0 HG21 THR A 52 1.814 6.482 31.154 1.00 11.72 H new ATOM 0 HG22 THR A 52 3.307 7.002 31.049 1.00 11.72 H new ATOM 0 HG23 THR A 52 2.848 5.739 30.211 1.00 11.72 H new ATOM 418 N ASP A 53 5.981 6.356 30.932 1.00 8.13 N ATOM 419 CA ASP A 53 6.866 7.482 30.598 1.00 9.17 C ATOM 420 C ASP A 53 5.900 8.606 30.113 1.00 9.14 C ATOM 421 O ASP A 53 5.072 8.362 29.230 1.00 9.04 O ATOM 422 CB ASP A 53 7.886 7.162 29.539 1.00 10.43 C ATOM 423 CG ASP A 53 8.788 5.967 29.901 1.00 12.88 C ATOM 424 OD1 ASP A 53 9.238 5.842 31.026 1.00 12.51 O ATOM 425 OD2 ASP A 53 8.962 5.259 28.901 1.00 13.66 O ATOM 0 H ASP A 53 5.709 5.937 30.232 1.00 8.13 H new ATOM 0 HA ASP A 53 7.398 7.734 31.369 1.00 9.17 H new ATOM 0 HB2 ASP A 53 7.428 6.972 28.705 1.00 10.43 H new ATOM 0 HB3 ASP A 53 8.441 7.943 29.387 1.00 10.43 H new ATOM 426 N TYR A 54 6.094 9.790 30.662 1.00 8.67 N ATOM 427 CA TYR A 54 5.235 10.915 30.369 1.00 9.37 C ATOM 428 C TYR A 54 5.914 12.202 29.870 1.00 8.73 C ATOM 429 O TYR A 54 6.952 12.623 30.393 1.00 7.57 O ATOM 430 CB TYR A 54 4.538 11.320 31.703 1.00 9.63 C ATOM 431 CG TYR A 54 3.588 10.289 32.278 1.00 7.43 C ATOM 432 CD1 TYR A 54 4.024 9.309 33.199 1.00 7.27 C ATOM 433 CD2 TYR A 54 2.235 10.345 31.959 1.00 7.75 C ATOM 434 CE1 TYR A 54 3.094 8.425 33.737 1.00 7.06 C ATOM 435 CE2 TYR A 54 1.287 9.450 32.462 1.00 7.28 C ATOM 436 CZ TYR A 54 1.764 8.467 33.361 1.00 7.36 C ATOM 437 OH TYR A 54 0.878 7.563 33.908 1.00 9.99 O ATOM 0 H TYR A 54 6.729 9.963 31.216 1.00 8.67 H new ATOM 0 HA TYR A 54 4.660 10.604 29.652 1.00 9.37 H new ATOM 0 HB2 TYR A 54 5.223 11.511 32.363 1.00 9.63 H new ATOM 0 HB3 TYR A 54 4.047 12.144 31.557 1.00 9.63 H new ATOM 0 HD1 TYR A 54 4.920 9.256 33.442 1.00 7.27 H new ATOM 0 HD2 TYR A 54 1.946 11.013 31.380 1.00 7.75 H new ATOM 0 HE1 TYR A 54 3.372 7.794 34.361 1.00 7.06 H new ATOM 0 HE2 TYR A 54 0.391 9.498 32.219 1.00 7.28 H new ATOM 0 HH TYR A 54 1.291 7.042 34.421 1.00 9.99 H new ATOM 438 N GLY A 55 5.234 12.735 28.860 1.00 9.42 N ATOM 439 CA GLY A 55 5.694 14.048 28.346 1.00 9.88 C ATOM 440 C GLY A 55 6.847 14.148 27.415 1.00 9.06 C ATOM 441 O GLY A 55 7.377 13.139 26.908 1.00 9.51 O ATOM 0 H GLY A 55 4.548 12.391 28.472 1.00 9.42 H new ATOM 0 HA2 GLY A 55 4.936 14.460 27.903 1.00 9.88 H new ATOM 0 HA3 GLY A 55 5.905 14.596 29.118 1.00 9.88 H new ATOM 442 N ILE A 56 7.218 15.427 27.189 1.00 8.91 N ATOM 443 CA ILE A 56 8.313 15.738 26.235 1.00 8.53 C ATOM 444 C ILE A 56 9.629 15.079 26.537 1.00 8.15 C ATOM 445 O ILE A 56 10.417 14.781 25.598 1.00 9.11 O ATOM 446 CB ILE A 56 8.351 17.318 26.132 1.00 9.86 C ATOM 447 CG1 ILE A 56 9.082 17.782 24.870 1.00 9.78 C ATOM 448 CG2 ILE A 56 8.812 17.900 27.492 1.00 7.97 C ATOM 449 CD1 ILE A 56 8.708 19.232 24.388 1.00 10.85 C ATOM 0 H ILE A 56 6.860 16.112 27.566 1.00 8.91 H new ATOM 0 HA ILE A 56 8.131 15.348 25.366 1.00 8.53 H new ATOM 0 HB ILE A 56 7.467 17.693 25.993 1.00 9.86 H new ATOM 0 HG12 ILE A 56 10.038 17.745 25.033 1.00 9.78 H new ATOM 0 HG13 ILE A 56 8.892 17.157 24.153 1.00 9.78 H new ATOM 0 HG21 ILE A 56 8.838 18.868 27.438 1.00 7.97 H new ATOM 0 HG22 ILE A 56 8.190 17.632 28.186 1.00 7.97 H new ATOM 0 HG23 ILE A 56 9.697 17.565 27.704 1.00 7.97 H new ATOM 0 HD11 ILE A 56 9.212 19.447 23.588 1.00 10.85 H new ATOM 0 HD12 ILE A 56 7.759 19.274 24.193 1.00 10.85 H new ATOM 0 HD13 ILE A 56 8.922 19.871 25.086 1.00 10.85 H new ATOM 450 N PHE A 57 9.883 14.814 27.795 1.00 7.30 N ATOM 451 CA PHE A 57 11.129 14.189 28.243 1.00 8.92 C ATOM 452 C PHE A 57 10.882 12.705 28.604 1.00 9.51 C ATOM 453 O PHE A 57 11.877 12.082 29.060 1.00 9.45 O ATOM 454 CB PHE A 57 11.769 14.933 29.436 1.00 9.80 C ATOM 455 CG PHE A 57 12.266 16.316 29.049 1.00 13.74 C ATOM 456 CD1 PHE A 57 13.189 16.484 28.018 1.00 14.34 C ATOM 457 CD2 PHE A 57 11.778 17.440 29.732 1.00 13.55 C ATOM 458 CE1 PHE A 57 13.640 17.767 27.670 1.00 15.44 C ATOM 459 CE2 PHE A 57 12.202 18.709 29.411 1.00 14.22 C ATOM 460 CZ PHE A 57 13.113 18.858 28.370 1.00 14.50 C ATOM 0 H PHE A 57 9.335 14.990 28.434 1.00 7.30 H new ATOM 0 HA PHE A 57 11.757 14.242 27.506 1.00 8.92 H new ATOM 0 HB2 PHE A 57 11.119 15.013 30.152 1.00 9.80 H new ATOM 0 HB3 PHE A 57 12.509 14.410 29.782 1.00 9.80 H new ATOM 0 HD1 PHE A 57 13.508 15.741 27.558 1.00 14.34 H new ATOM 0 HD2 PHE A 57 11.157 17.325 30.414 1.00 13.55 H new ATOM 0 HE1 PHE A 57 14.269 17.888 26.996 1.00 15.44 H new ATOM 0 HE2 PHE A 57 11.887 19.449 29.878 1.00 14.22 H new ATOM 0 HZ PHE A 57 13.382 19.715 28.130 1.00 14.50 H new ATOM 461 N GLN A 58 9.664 12.208 28.471 1.00 8.36 N ATOM 462 CA GLN A 58 9.358 10.796 28.828 1.00 8.47 C ATOM 463 C GLN A 58 9.902 10.474 30.214 1.00 8.07 C ATOM 464 O GLN A 58 10.827 9.649 30.407 1.00 8.36 O ATOM 465 CB GLN A 58 9.968 9.866 27.763 1.00 8.40 C ATOM 466 CG GLN A 58 9.195 10.039 26.460 1.00 8.52 C ATOM 467 CD GLN A 58 7.786 9.497 26.564 1.00 10.22 C ATOM 468 OE1 GLN A 58 7.596 8.273 26.382 1.00 9.67 O ATOM 469 NE2 GLN A 58 6.775 10.277 26.874 1.00 7.97 N ATOM 0 H GLN A 58 8.991 12.656 28.178 1.00 8.36 H new ATOM 0 HA GLN A 58 8.398 10.662 28.850 1.00 8.47 H new ATOM 0 HB2 GLN A 58 10.905 10.078 27.629 1.00 8.40 H new ATOM 0 HB3 GLN A 58 9.926 8.943 28.059 1.00 8.40 H new ATOM 0 HG2 GLN A 58 9.163 10.980 26.226 1.00 8.52 H new ATOM 0 HG3 GLN A 58 9.664 9.584 25.743 1.00 8.52 H new ATOM 0 HE21 GLN A 58 6.903 11.118 26.999 1.00 7.97 H new ATOM 0 HE22 GLN A 58 5.985 9.946 26.951 1.00 7.97 H new ATOM 470 N ILE A 59 9.360 11.128 31.199 1.00 8.20 N ATOM 471 CA ILE A 59 9.759 11.011 32.597 1.00 7.68 C ATOM 472 C ILE A 59 9.015 9.787 33.119 1.00 8.68 C ATOM 473 O ILE A 59 7.806 9.743 32.883 1.00 7.45 O ATOM 474 CB ILE A 59 9.486 12.370 33.306 1.00 9.86 C ATOM 475 CG1 ILE A 59 10.473 13.457 32.762 1.00 11.69 C ATOM 476 CG2 ILE A 59 9.652 12.279 34.851 1.00 10.68 C ATOM 477 CD1 ILE A 59 10.308 14.803 33.509 1.00 13.58 C ATOM 0 H ILE A 59 8.715 11.685 31.081 1.00 8.20 H new ATOM 0 HA ILE A 59 10.703 10.860 32.759 1.00 7.68 H new ATOM 0 HB ILE A 59 8.566 12.609 33.115 1.00 9.86 H new ATOM 0 HG12 ILE A 59 11.386 13.143 32.858 1.00 11.69 H new ATOM 0 HG13 ILE A 59 10.317 13.591 31.814 1.00 11.69 H new ATOM 0 HG21 ILE A 59 9.473 13.146 35.248 1.00 10.68 H new ATOM 0 HG22 ILE A 59 9.028 11.626 35.206 1.00 10.68 H new ATOM 0 HG23 ILE A 59 10.559 12.008 35.064 1.00 10.68 H new ATOM 0 HD11 ILE A 59 10.932 15.452 33.148 1.00 13.58 H new ATOM 0 HD12 ILE A 59 9.401 15.128 33.394 1.00 13.58 H new ATOM 0 HD13 ILE A 59 10.487 14.673 34.453 1.00 13.58 H new ATOM 478 N ASN A 60 9.764 8.851 33.719 1.00 8.86 N ATOM 479 CA ASN A 60 9.171 7.603 34.212 1.00 10.04 C ATOM 480 C ASN A 60 8.493 7.704 35.578 1.00 9.11 C ATOM 481 O ASN A 60 9.001 8.264 36.551 1.00 10.34 O ATOM 482 CB ASN A 60 10.248 6.504 34.230 1.00 11.48 C ATOM 483 CG ASN A 60 9.585 5.122 34.524 1.00 11.72 C ATOM 484 OD1 ASN A 60 9.602 4.739 35.705 1.00 12.75 O ATOM 485 ND2 ASN A 60 9.111 4.527 33.430 1.00 11.15 N ATOM 0 H ASN A 60 10.611 8.921 33.849 1.00 8.86 H new ATOM 0 HA ASN A 60 8.455 7.383 33.595 1.00 10.04 H new ATOM 0 HB2 ASN A 60 10.709 6.477 33.377 1.00 11.48 H new ATOM 0 HB3 ASN A 60 10.914 6.703 34.906 1.00 11.48 H new ATOM 0 HD21 ASN A 60 8.746 3.750 33.487 1.00 11.15 H new ATOM 0 HD22 ASN A 60 9.170 4.920 32.667 1.00 11.15 H new ATOM 486 N SER A 61 7.311 7.102 35.644 1.00 9.41 N ATOM 487 CA SER A 61 6.470 7.052 36.838 1.00 8.77 C ATOM 488 C SER A 61 6.996 6.214 37.986 1.00 11.51 C ATOM 489 O SER A 61 6.483 6.433 39.120 1.00 12.27 O ATOM 490 CB SER A 61 5.086 6.582 36.468 1.00 9.39 C ATOM 491 OG SER A 61 5.037 5.227 36.115 1.00 11.87 O ATOM 0 H SER A 61 6.963 6.696 34.971 1.00 9.41 H new ATOM 0 HA SER A 61 6.465 7.963 37.172 1.00 8.77 H new ATOM 0 HB2 SER A 61 4.488 6.737 37.216 1.00 9.39 H new ATOM 0 HB3 SER A 61 4.758 7.115 35.727 1.00 9.39 H new ATOM 0 HG SER A 61 4.594 4.803 36.690 1.00 11.87 H new ATOM 492 N ARG A 62 8.005 5.380 37.769 1.00 12.19 N ATOM 493 CA ARG A 62 8.483 4.619 38.955 1.00 13.69 C ATOM 494 C ARG A 62 9.190 5.496 39.987 1.00 14.12 C ATOM 495 O ARG A 62 9.116 5.257 41.219 1.00 15.23 O ATOM 496 CB ARG A 62 9.391 3.477 38.478 1.00 15.69 C ATOM 497 CG ARG A 62 9.880 2.603 39.658 1.00 18.85 C ATOM 498 CD ARG A 62 10.321 1.273 39.164 1.00 22.54 C ATOM 499 NE ARG A 62 9.375 0.535 38.309 1.00 25.95 N ATOM 500 CZ ARG A 62 8.257 0.038 38.897 1.00 26.00 C ATOM 501 NH1 ARG A 62 8.114 0.147 40.225 1.00 26.42 N ATOM 502 NH2 ARG A 62 7.302 -0.474 38.130 1.00 25.13 N ATOM 0 H ARG A 62 8.406 5.236 37.022 1.00 12.19 H new ATOM 0 HA ARG A 62 7.708 4.258 39.412 1.00 13.69 H new ATOM 0 HB2 ARG A 62 8.909 2.924 37.843 1.00 15.69 H new ATOM 0 HB3 ARG A 62 10.156 3.846 38.009 1.00 15.69 H new ATOM 0 HG2 ARG A 62 10.613 3.045 40.114 1.00 18.85 H new ATOM 0 HG3 ARG A 62 9.166 2.494 40.306 1.00 18.85 H new ATOM 0 HD2 ARG A 62 11.146 1.393 38.668 1.00 22.54 H new ATOM 0 HD3 ARG A 62 10.530 0.719 39.932 1.00 22.54 H new ATOM 0 HE ARG A 62 9.525 0.423 37.470 1.00 25.95 H new ATOM 0 HH11 ARG A 62 8.726 0.528 40.694 1.00 26.42 H new ATOM 0 HH12 ARG A 62 7.410 -0.164 40.609 1.00 26.42 H new ATOM 0 HH21 ARG A 62 7.398 -0.487 37.275 1.00 25.13 H new ATOM 0 HH22 ARG A 62 6.588 -0.793 38.488 1.00 25.13 H new ATOM 503 N TYR A 63 9.881 6.544 39.562 1.00 13.73 N ATOM 504 CA TYR A 63 10.668 7.397 40.426 1.00 13.47 C ATOM 505 C TYR A 63 10.409 8.883 40.518 1.00 13.57 C ATOM 506 O TYR A 63 10.655 9.483 41.569 1.00 13.59 O ATOM 507 CB TYR A 63 12.123 7.321 39.850 1.00 14.97 C ATOM 508 CG TYR A 63 12.683 5.934 39.657 1.00 18.21 C ATOM 509 CD1 TYR A 63 13.062 5.190 40.785 1.00 19.56 C ATOM 510 CD2 TYR A 63 12.807 5.351 38.398 1.00 19.16 C ATOM 511 CE1 TYR A 63 13.605 3.909 40.650 1.00 20.87 C ATOM 512 CE2 TYR A 63 13.347 4.073 38.249 1.00 21.09 C ATOM 513 CZ TYR A 63 13.740 3.379 39.383 1.00 19.89 C ATOM 514 OH TYR A 63 14.281 2.142 39.304 1.00 23.48 O ATOM 0 H TYR A 63 9.903 6.783 38.736 1.00 13.73 H new ATOM 0 HA TYR A 63 10.459 7.059 41.311 1.00 13.47 H new ATOM 0 HB2 TYR A 63 12.138 7.779 38.995 1.00 14.97 H new ATOM 0 HB3 TYR A 63 12.714 7.810 40.444 1.00 14.97 H new ATOM 0 HD1 TYR A 63 12.950 5.554 41.633 1.00 19.56 H new ATOM 0 HD2 TYR A 63 12.526 5.820 37.646 1.00 19.16 H new ATOM 0 HE1 TYR A 63 13.870 3.424 41.398 1.00 20.87 H new ATOM 0 HE2 TYR A 63 13.441 3.694 37.405 1.00 21.09 H new ATOM 0 HH TYR A 63 14.322 1.905 38.499 1.00 23.48 H new ATOM 515 N TRP A 64 9.961 9.456 39.419 1.00 13.09 N ATOM 516 CA TRP A 64 9.779 10.902 39.303 1.00 12.11 C ATOM 517 C TRP A 64 8.424 11.521 39.465 1.00 12.50 C ATOM 518 O TRP A 64 8.417 12.659 40.004 1.00 13.08 O ATOM 519 CB TRP A 64 10.474 11.308 37.966 1.00 10.06 C ATOM 520 CG TRP A 64 11.797 10.648 37.831 1.00 9.86 C ATOM 521 CD1 TRP A 64 12.126 9.639 36.978 1.00 11.14 C ATOM 522 CD2 TRP A 64 12.960 10.913 38.631 1.00 11.74 C ATOM 523 NE1 TRP A 64 13.452 9.267 37.154 1.00 11.01 N ATOM 524 CE2 TRP A 64 13.978 10.039 38.182 1.00 13.30 C ATOM 525 CE3 TRP A 64 13.215 11.861 39.619 1.00 12.00 C ATOM 526 CZ2 TRP A 64 15.264 10.070 38.709 1.00 12.20 C ATOM 527 CZ3 TRP A 64 14.493 11.880 40.191 1.00 13.90 C ATOM 528 CH2 TRP A 64 15.475 10.975 39.742 1.00 14.11 C ATOM 0 H TRP A 64 9.750 9.019 38.709 1.00 13.09 H new ATOM 0 HA TRP A 64 10.178 11.279 40.102 1.00 12.11 H new ATOM 0 HB2 TRP A 64 9.909 11.063 37.217 1.00 10.06 H new ATOM 0 HB3 TRP A 64 10.585 12.271 37.935 1.00 10.06 H new ATOM 0 HD1 TRP A 64 11.544 9.253 36.364 1.00 11.14 H new ATOM 0 HE1 TRP A 64 13.873 8.665 36.706 1.00 11.01 H new ATOM 0 HE3 TRP A 64 12.558 12.461 39.890 1.00 12.00 H new ATOM 0 HZ2 TRP A 64 15.942 9.519 38.390 1.00 12.20 H new ATOM 0 HZ3 TRP A 64 14.693 12.488 40.865 1.00 13.90 H new ATOM 0 HH2 TRP A 64 16.307 10.984 40.158 1.00 14.11 H new ATOM 529 N CYS A 65 7.332 10.905 39.048 1.00 11.30 N ATOM 530 CA CYS A 65 6.015 11.593 39.233 1.00 11.24 C ATOM 531 C CYS A 65 5.020 10.561 39.790 1.00 11.46 C ATOM 532 O CYS A 65 5.365 9.378 39.763 1.00 12.45 O ATOM 533 CB CYS A 65 5.520 12.144 37.917 1.00 9.06 C ATOM 534 SG CYS A 65 5.357 10.985 36.501 1.00 9.92 S ATOM 0 H CYS A 65 7.304 10.132 38.673 1.00 11.30 H new ATOM 0 HA CYS A 65 6.108 12.337 39.848 1.00 11.24 H new ATOM 0 HB2 CYS A 65 4.652 12.547 38.072 1.00 9.06 H new ATOM 0 HB3 CYS A 65 6.120 12.857 37.649 1.00 9.06 H new ATOM 535 N ASN A 66 3.874 10.974 40.263 1.00 11.45 N ATOM 536 CA ASN A 66 2.881 9.996 40.766 1.00 11.10 C ATOM 537 C ASN A 66 1.723 9.811 39.805 1.00 10.78 C ATOM 538 O ASN A 66 1.088 10.791 39.408 1.00 10.59 O ATOM 539 CB ASN A 66 2.439 10.395 42.185 1.00 12.74 C ATOM 540 CG ASN A 66 1.434 9.382 42.729 1.00 12.47 C ATOM 541 OD1 ASN A 66 1.681 8.161 42.649 1.00 13.39 O ATOM 542 ND2 ASN A 66 0.294 9.888 43.155 1.00 10.84 N ATOM 0 H ASN A 66 3.632 11.798 40.311 1.00 11.45 H new ATOM 0 HA ASN A 66 3.298 9.122 40.822 1.00 11.10 H new ATOM 0 HB2 ASN A 66 3.211 10.441 42.770 1.00 12.74 H new ATOM 0 HB3 ASN A 66 2.041 11.279 42.170 1.00 12.74 H new ATOM 0 HD21 ASN A 66 -0.343 9.365 43.402 1.00 10.84 H new ATOM 0 HD22 ASN A 66 0.187 10.741 43.186 1.00 10.84 H new ATOM 543 N ASP A 67 1.429 8.546 39.417 1.00 10.14 N ATOM 544 CA ASP A 67 0.298 8.242 38.564 1.00 9.27 C ATOM 545 C ASP A 67 -0.625 7.274 39.344 1.00 10.46 C ATOM 546 O ASP A 67 -1.679 6.873 38.854 1.00 11.52 O ATOM 547 CB ASP A 67 0.621 7.777 37.179 1.00 7.99 C ATOM 548 CG ASP A 67 1.383 6.451 37.068 1.00 8.41 C ATOM 549 OD1 ASP A 67 1.791 5.875 38.086 1.00 9.89 O ATOM 550 OD2 ASP A 67 1.598 6.042 35.919 1.00 9.03 O ATOM 0 H ASP A 67 1.889 7.857 39.650 1.00 10.14 H new ATOM 0 HA ASP A 67 -0.161 9.075 38.373 1.00 9.27 H new ATOM 0 HB2 ASP A 67 -0.209 7.693 36.685 1.00 7.99 H new ATOM 0 HB3 ASP A 67 1.144 8.466 36.741 1.00 7.99 H new ATOM 551 N GLY A 68 -0.252 6.959 40.572 1.00 12.02 N ATOM 552 CA GLY A 68 -0.969 6.060 41.428 1.00 13.55 C ATOM 553 C GLY A 68 -0.985 4.581 41.033 1.00 13.76 C ATOM 554 O GLY A 68 -1.096 3.779 41.982 1.00 16.04 O ATOM 0 H GLY A 68 0.457 7.281 40.938 1.00 12.02 H new ATOM 0 HA2 GLY A 68 -0.593 6.129 42.319 1.00 13.55 H new ATOM 0 HA3 GLY A 68 -1.888 6.366 41.484 1.00 13.55 H new ATOM 555 N LYS A 69 -0.886 4.216 39.790 1.00 13.90 N ATOM 556 CA LYS A 69 -0.938 2.834 39.313 1.00 15.50 C ATOM 557 C LYS A 69 0.449 2.212 39.161 1.00 16.03 C ATOM 558 O LYS A 69 0.551 1.032 38.679 1.00 17.68 O ATOM 559 CB LYS A 69 -1.717 2.750 38.009 1.00 14.78 C ATOM 560 CG LYS A 69 -1.075 3.543 36.846 1.00 16.31 C ATOM 561 CD LYS A 69 -1.849 3.276 35.556 1.00 15.78 C ATOM 562 CE LYS A 69 -1.294 4.127 34.417 1.00 17.04 C ATOM 563 NZ LYS A 69 -2.344 4.534 33.464 1.00 18.33 N ATOM 0 H LYS A 69 -0.781 4.784 39.153 1.00 13.90 H new ATOM 0 HA LYS A 69 -1.401 2.316 39.990 1.00 15.50 H new ATOM 0 HB2 LYS A 69 -1.797 1.819 37.749 1.00 14.78 H new ATOM 0 HB3 LYS A 69 -2.617 3.081 38.157 1.00 14.78 H new ATOM 0 HG2 LYS A 69 -1.081 4.492 37.047 1.00 16.31 H new ATOM 0 HG3 LYS A 69 -0.147 3.282 36.737 1.00 16.31 H new ATOM 0 HD2 LYS A 69 -1.789 2.336 35.324 1.00 15.78 H new ATOM 0 HD3 LYS A 69 -2.789 3.476 35.689 1.00 15.78 H new ATOM 0 HE2 LYS A 69 -0.868 4.918 34.784 1.00 17.04 H new ATOM 0 HE3 LYS A 69 -0.608 3.628 33.947 1.00 17.04 H new ATOM 0 HZ1 LYS A 69 -2.010 4.540 32.639 1.00 18.33 H new ATOM 0 HZ2 LYS A 69 -3.022 3.959 33.505 1.00 18.33 H new ATOM 0 HZ3 LYS A 69 -2.635 5.349 33.672 1.00 18.33 H new ATOM 564 N THR A 70 1.506 2.894 39.548 1.00 14.07 N ATOM 565 CA THR A 70 2.842 2.217 39.405 1.00 14.35 C ATOM 566 C THR A 70 3.229 1.580 40.714 1.00 14.70 C ATOM 567 O THR A 70 3.329 2.268 41.747 1.00 16.03 O ATOM 568 CB THR A 70 3.902 3.287 38.879 1.00 13.91 C ATOM 569 OG1 THR A 70 3.354 3.851 37.632 1.00 12.23 O ATOM 570 CG2 THR A 70 5.280 2.675 38.709 1.00 12.80 C ATOM 0 H THR A 70 1.509 3.689 39.875 1.00 14.07 H new ATOM 0 HA THR A 70 2.808 1.500 38.753 1.00 14.35 H new ATOM 0 HB THR A 70 4.034 3.998 39.525 1.00 13.91 H new ATOM 0 HG1 THR A 70 3.003 4.597 37.792 1.00 12.23 H new ATOM 0 HG21 THR A 70 5.897 3.351 38.389 1.00 12.80 H new ATOM 0 HG22 THR A 70 5.590 2.333 39.562 1.00 12.80 H new ATOM 0 HG23 THR A 70 5.235 1.949 38.067 1.00 12.80 H new ATOM 571 N PRO A 71 3.455 0.266 40.758 1.00 15.65 N ATOM 572 CA PRO A 71 3.845 -0.408 42.021 1.00 16.43 C ATOM 573 C PRO A 71 5.268 -0.053 42.423 1.00 16.47 C ATOM 574 O PRO A 71 6.166 0.063 41.582 1.00 16.92 O ATOM 575 CB PRO A 71 3.718 -1.901 41.733 1.00 15.65 C ATOM 576 CG PRO A 71 3.854 -2.011 40.251 1.00 16.03 C ATOM 577 CD PRO A 71 3.381 -0.673 39.641 1.00 15.56 C ATOM 0 HA PRO A 71 3.282 -0.131 42.761 1.00 16.43 H new ATOM 0 HB2 PRO A 71 4.408 -2.408 42.189 1.00 15.65 H new ATOM 0 HB3 PRO A 71 2.864 -2.247 42.036 1.00 15.65 H new ATOM 0 HG2 PRO A 71 4.775 -2.191 40.005 1.00 16.03 H new ATOM 0 HG3 PRO A 71 3.321 -2.747 39.913 1.00 16.03 H new ATOM 0 HD2 PRO A 71 3.950 -0.397 38.905 1.00 15.56 H new ATOM 0 HD3 PRO A 71 2.478 -0.740 39.292 1.00 15.56 H new ATOM 578 N GLY A 72 5.454 0.127 43.708 1.00 17.96 N ATOM 579 CA GLY A 72 6.712 0.427 44.368 1.00 19.65 C ATOM 580 C GLY A 72 7.317 1.726 43.846 1.00 20.70 C ATOM 581 O GLY A 72 8.552 1.870 43.771 1.00 22.16 O ATOM 0 H GLY A 72 4.802 0.074 44.266 1.00 17.96 H new ATOM 0 HA2 GLY A 72 6.569 0.496 45.325 1.00 19.65 H new ATOM 0 HA3 GLY A 72 7.336 -0.302 44.226 1.00 19.65 H new ATOM 582 N ALA A 73 6.446 2.653 43.507 1.00 20.42 N ATOM 583 CA ALA A 73 6.913 3.941 42.951 1.00 19.58 C ATOM 584 C ALA A 73 7.136 5.033 43.983 1.00 18.76 C ATOM 585 O ALA A 73 6.545 5.034 45.070 1.00 18.59 O ATOM 586 CB ALA A 73 5.833 4.358 41.951 1.00 20.44 C ATOM 0 H ALA A 73 5.593 2.575 43.582 1.00 20.42 H new ATOM 0 HA ALA A 73 7.788 3.821 42.549 1.00 19.58 H new ATOM 0 HB1 ALA A 73 6.078 5.204 41.544 1.00 20.44 H new ATOM 0 HB2 ALA A 73 5.751 3.680 41.262 1.00 20.44 H new ATOM 0 HB3 ALA A 73 4.985 4.454 42.412 1.00 20.44 H new ATOM 587 N VAL A 74 8.020 5.950 43.617 1.00 17.46 N ATOM 588 CA VAL A 74 8.320 7.138 44.417 1.00 17.50 C ATOM 589 C VAL A 74 7.973 8.326 43.460 1.00 16.21 C ATOM 590 O VAL A 74 7.715 8.112 42.272 1.00 16.64 O ATOM 591 CB VAL A 74 9.631 7.220 45.165 1.00 17.39 C ATOM 592 CG1 VAL A 74 9.748 6.146 46.256 1.00 18.88 C ATOM 593 CG2 VAL A 74 10.883 7.255 44.312 1.00 18.83 C ATOM 0 H VAL A 74 8.471 5.903 42.887 1.00 17.46 H new ATOM 0 HA VAL A 74 7.784 7.136 45.225 1.00 17.50 H new ATOM 0 HB VAL A 74 9.589 8.095 45.581 1.00 17.39 H new ATOM 0 HG11 VAL A 74 10.601 6.236 46.708 1.00 18.88 H new ATOM 0 HG12 VAL A 74 9.029 6.257 46.898 1.00 18.88 H new ATOM 0 HG13 VAL A 74 9.688 5.266 45.852 1.00 18.88 H new ATOM 0 HG21 VAL A 74 11.664 7.307 44.885 1.00 18.83 H new ATOM 0 HG22 VAL A 74 10.931 6.449 43.774 1.00 18.83 H new ATOM 0 HG23 VAL A 74 10.857 8.031 43.730 1.00 18.83 H new ATOM 594 N ASN A 75 7.949 9.493 44.026 1.00 15.33 N ATOM 595 CA ASN A 75 7.581 10.730 43.276 1.00 15.43 C ATOM 596 C ASN A 75 8.616 11.792 43.638 1.00 15.42 C ATOM 597 O ASN A 75 8.299 12.723 44.384 1.00 16.23 O ATOM 598 CB ASN A 75 6.137 11.035 43.662 1.00 13.84 C ATOM 599 CG ASN A 75 5.627 12.367 43.182 1.00 13.54 C ATOM 600 OD1 ASN A 75 6.233 12.922 42.252 1.00 14.95 O ATOM 601 ND2 ASN A 75 4.539 12.840 43.752 1.00 14.34 N ATOM 0 H ASN A 75 8.140 9.626 44.854 1.00 15.33 H new ATOM 0 HA ASN A 75 7.602 10.665 42.308 1.00 15.43 H new ATOM 0 HB2 ASN A 75 5.565 10.336 43.307 1.00 13.84 H new ATOM 0 HB3 ASN A 75 6.059 11.001 44.628 1.00 13.84 H new ATOM 0 HD21 ASN A 75 4.201 13.583 43.483 1.00 14.34 H new ATOM 0 HD22 ASN A 75 4.166 12.406 44.394 1.00 14.34 H new ATOM 602 N ALA A 76 9.827 11.600 43.127 1.00 15.64 N ATOM 603 CA ALA A 76 10.909 12.530 43.471 1.00 15.47 C ATOM 604 C ALA A 76 10.631 13.948 43.015 1.00 16.06 C ATOM 605 O ALA A 76 11.144 14.861 43.689 1.00 15.64 O ATOM 606 CB ALA A 76 12.246 11.953 43.069 1.00 14.06 C ATOM 0 H ALA A 76 10.044 10.960 42.595 1.00 15.64 H new ATOM 0 HA ALA A 76 10.952 12.626 44.435 1.00 15.47 H new ATOM 0 HB1 ALA A 76 12.951 12.577 43.302 1.00 14.06 H new ATOM 0 HB2 ALA A 76 12.390 11.115 43.535 1.00 14.06 H new ATOM 0 HB3 ALA A 76 12.256 11.796 42.112 1.00 14.06 H new ATOM 607 N CYS A 77 9.871 14.186 41.954 1.00 15.83 N ATOM 608 CA CYS A 77 9.624 15.578 41.525 1.00 16.02 C ATOM 609 C CYS A 77 8.452 16.190 42.263 1.00 16.36 C ATOM 610 O CYS A 77 8.195 17.381 42.053 1.00 16.96 O ATOM 611 CB CYS A 77 9.470 15.678 39.998 1.00 12.59 C ATOM 612 SG CYS A 77 10.964 15.223 39.077 1.00 13.29 S ATOM 0 H CYS A 77 9.494 13.581 41.473 1.00 15.83 H new ATOM 0 HA CYS A 77 10.406 16.101 41.763 1.00 16.02 H new ATOM 0 HB2 CYS A 77 8.740 15.104 39.717 1.00 12.59 H new ATOM 0 HB3 CYS A 77 9.222 16.586 39.766 1.00 12.59 H new ATOM 613 N HIS A 78 7.736 15.434 43.067 1.00 16.65 N ATOM 614 CA HIS A 78 6.548 15.999 43.767 1.00 17.09 C ATOM 615 C HIS A 78 5.554 16.597 42.797 1.00 15.81 C ATOM 616 O HIS A 78 5.083 17.725 42.961 1.00 15.92 O ATOM 617 CB HIS A 78 6.900 17.053 44.855 1.00 19.66 C ATOM 618 CG HIS A 78 8.117 16.513 45.554 1.00 22.76 C ATOM 619 ND1 HIS A 78 9.359 17.072 45.508 1.00 24.99 N ATOM 620 CD2 HIS A 78 8.239 15.339 46.242 1.00 24.66 C ATOM 621 CE1 HIS A 78 10.201 16.309 46.186 1.00 24.72 C ATOM 622 NE2 HIS A 78 9.538 15.254 46.636 1.00 25.66 N ATOM 0 H HIS A 78 7.898 14.606 43.233 1.00 16.65 H new ATOM 0 HA HIS A 78 6.147 15.239 44.218 1.00 17.09 H new ATOM 0 HB2 HIS A 78 7.081 17.919 44.457 1.00 19.66 H new ATOM 0 HB3 HIS A 78 6.165 17.174 45.476 1.00 19.66 H new ATOM 0 HD2 HIS A 78 7.566 14.719 46.408 1.00 24.66 H new ATOM 0 HE1 HIS A 78 11.104 16.484 46.323 1.00 24.72 H new ATOM 0 HE2 HIS A 78 9.876 14.616 47.104 1.00 25.66 H new ATOM 623 N LEU A 79 5.215 15.833 41.771 1.00 14.15 N ATOM 624 CA LEU A 79 4.309 16.167 40.716 1.00 13.42 C ATOM 625 C LEU A 79 3.441 14.916 40.384 1.00 12.47 C ATOM 626 O LEU A 79 3.895 13.789 40.465 1.00 12.29 O ATOM 627 CB LEU A 79 5.053 16.417 39.384 1.00 13.79 C ATOM 628 CG LEU A 79 5.771 17.627 38.927 1.00 16.15 C ATOM 629 CD1 LEU A 79 6.166 17.547 37.441 1.00 16.10 C ATOM 630 CD2 LEU A 79 4.914 18.911 39.111 1.00 15.80 C ATOM 0 H LEU A 79 5.542 15.043 41.676 1.00 14.15 H new ATOM 0 HA LEU A 79 3.813 16.945 41.016 1.00 13.42 H new ATOM 0 HB2 LEU A 79 5.709 15.705 39.329 1.00 13.79 H new ATOM 0 HB3 LEU A 79 4.391 16.247 38.695 1.00 13.79 H new ATOM 0 HG LEU A 79 6.569 17.672 39.477 1.00 16.15 H new ATOM 0 HD11 LEU A 79 6.632 18.358 37.186 1.00 16.10 H new ATOM 0 HD12 LEU A 79 6.747 16.783 37.301 1.00 16.10 H new ATOM 0 HD13 LEU A 79 5.368 17.449 36.899 1.00 16.10 H new ATOM 0 HD21 LEU A 79 5.415 19.682 38.802 1.00 15.80 H new ATOM 0 HD22 LEU A 79 4.096 18.830 38.597 1.00 15.80 H new ATOM 0 HD23 LEU A 79 4.696 19.023 40.050 1.00 15.80 H new ATOM 631 N SER A 80 2.261 15.278 39.930 1.00 12.26 N ATOM 632 CA SER A 80 1.291 14.312 39.392 1.00 10.47 C ATOM 633 C SER A 80 1.842 14.056 37.996 1.00 10.66 C ATOM 634 O SER A 80 2.234 15.039 37.326 1.00 11.11 O ATOM 635 CB SER A 80 -0.064 14.994 39.227 1.00 10.23 C ATOM 636 OG SER A 80 -0.909 14.127 38.493 1.00 11.90 O ATOM 0 H SER A 80 1.986 16.093 39.919 1.00 12.26 H new ATOM 0 HA SER A 80 1.179 13.524 39.947 1.00 10.47 H new ATOM 0 HB2 SER A 80 -0.452 15.190 40.094 1.00 10.23 H new ATOM 0 HB3 SER A 80 0.037 15.840 38.764 1.00 10.23 H new ATOM 0 HG SER A 80 -1.696 14.421 38.510 1.00 11.90 H new ATOM 637 N CYS A 81 1.834 12.851 37.478 1.00 10.76 N ATOM 638 CA CYS A 81 2.336 12.585 36.121 1.00 8.83 C ATOM 639 C CYS A 81 1.543 13.405 35.112 1.00 8.96 C ATOM 640 O CYS A 81 1.996 13.670 33.983 1.00 8.17 O ATOM 641 CB CYS A 81 2.336 11.073 35.808 1.00 10.07 C ATOM 642 SG CYS A 81 3.539 10.177 36.863 1.00 9.80 S ATOM 0 H CYS A 81 1.541 12.155 37.890 1.00 10.76 H new ATOM 0 HA CYS A 81 3.263 12.865 36.060 1.00 8.83 H new ATOM 0 HB2 CYS A 81 1.447 10.711 35.948 1.00 10.07 H new ATOM 0 HB3 CYS A 81 2.555 10.934 34.873 1.00 10.07 H new ATOM 643 N SER A 82 0.358 13.777 35.521 1.00 9.36 N ATOM 644 CA SER A 82 -0.644 14.542 34.794 1.00 11.82 C ATOM 645 C SER A 82 -0.085 15.858 34.230 1.00 10.03 C ATOM 646 O SER A 82 -0.348 16.268 33.093 1.00 9.53 O ATOM 647 CB SER A 82 -1.777 14.925 35.803 1.00 14.80 C ATOM 648 OG SER A 82 -2.816 15.579 35.122 1.00 22.58 O ATOM 0 H SER A 82 0.083 13.572 36.310 1.00 9.36 H new ATOM 0 HA SER A 82 -0.956 13.996 34.056 1.00 11.82 H new ATOM 0 HB2 SER A 82 -2.116 14.128 36.240 1.00 14.80 H new ATOM 0 HB3 SER A 82 -1.422 15.500 36.499 1.00 14.80 H new ATOM 0 HG SER A 82 -3.423 15.782 35.666 1.00 22.58 H new ATOM 649 N ALA A 83 0.712 16.480 35.079 1.00 10.48 N ATOM 650 CA ALA A 83 1.359 17.771 34.868 1.00 9.03 C ATOM 651 C ALA A 83 2.341 17.737 33.719 1.00 11.05 C ATOM 652 O ALA A 83 2.681 18.835 33.221 1.00 11.73 O ATOM 653 CB ALA A 83 2.081 18.277 36.121 1.00 6.52 C ATOM 0 H ALA A 83 0.905 16.141 35.845 1.00 10.48 H new ATOM 0 HA ALA A 83 0.639 18.384 34.653 1.00 9.03 H new ATOM 0 HB1 ALA A 83 2.494 19.134 35.933 1.00 6.52 H new ATOM 0 HB2 ALA A 83 1.442 18.378 36.844 1.00 6.52 H new ATOM 0 HB3 ALA A 83 2.765 17.640 36.380 1.00 6.52 H new ATOM 654 N LEU A 84 2.784 16.563 33.350 1.00 9.76 N ATOM 655 CA LEU A 84 3.761 16.365 32.281 1.00 9.76 C ATOM 656 C LEU A 84 3.126 16.106 30.934 1.00 10.31 C ATOM 657 O LEU A 84 3.831 15.767 29.958 1.00 11.62 O ATOM 658 CB LEU A 84 4.675 15.218 32.747 1.00 10.65 C ATOM 659 CG LEU A 84 5.386 15.278 34.075 1.00 9.76 C ATOM 660 CD1 LEU A 84 6.226 13.973 34.238 1.00 10.59 C ATOM 661 CD2 LEU A 84 6.365 16.443 34.131 1.00 9.02 C ATOM 0 H LEU A 84 2.525 15.830 33.717 1.00 9.76 H new ATOM 0 HA LEU A 84 4.274 17.175 32.133 1.00 9.76 H new ATOM 0 HB2 LEU A 84 4.138 14.410 32.749 1.00 10.65 H new ATOM 0 HB3 LEU A 84 5.356 15.104 32.066 1.00 10.65 H new ATOM 0 HG LEU A 84 4.718 15.382 34.771 1.00 9.76 H new ATOM 0 HD11 LEU A 84 6.692 13.992 35.088 1.00 10.59 H new ATOM 0 HD12 LEU A 84 5.637 13.203 34.210 1.00 10.59 H new ATOM 0 HD13 LEU A 84 6.872 13.911 33.517 1.00 10.59 H new ATOM 0 HD21 LEU A 84 6.805 16.455 34.995 1.00 9.02 H new ATOM 0 HD22 LEU A 84 7.029 16.342 33.431 1.00 9.02 H new ATOM 0 HD23 LEU A 84 5.885 17.276 34.002 1.00 9.02 H new ATOM 662 N LEU A 85 1.798 16.263 30.901 1.00 10.46 N ATOM 663 CA LEU A 85 1.023 16.051 29.671 1.00 9.89 C ATOM 664 C LEU A 85 0.319 17.302 29.141 1.00 10.24 C ATOM 665 O LEU A 85 -0.392 17.162 28.124 1.00 10.25 O ATOM 666 CB LEU A 85 0.045 14.896 29.939 1.00 10.48 C ATOM 667 CG LEU A 85 0.656 13.524 30.239 1.00 10.16 C ATOM 668 CD1 LEU A 85 -0.504 12.529 30.314 1.00 9.45 C ATOM 669 CD2 LEU A 85 1.589 13.194 29.076 1.00 9.88 C ATOM 0 H LEU A 85 1.326 16.493 31.582 1.00 10.46 H new ATOM 0 HA LEU A 85 1.636 15.824 28.954 1.00 9.89 H new ATOM 0 HB2 LEU A 85 -0.518 15.146 30.688 1.00 10.48 H new ATOM 0 HB3 LEU A 85 -0.534 14.806 29.166 1.00 10.48 H new ATOM 0 HG LEU A 85 1.156 13.497 31.070 1.00 10.16 H new ATOM 0 HD11 LEU A 85 -0.159 11.643 30.503 1.00 9.45 H new ATOM 0 HD12 LEU A 85 -1.114 12.795 31.020 1.00 9.45 H new ATOM 0 HD13 LEU A 85 -0.976 12.517 29.467 1.00 9.45 H new ATOM 0 HD21 LEU A 85 2.000 12.328 29.226 1.00 9.88 H new ATOM 0 HD22 LEU A 85 1.081 13.172 28.250 1.00 9.88 H new ATOM 0 HD23 LEU A 85 2.280 13.872 29.012 1.00 9.88 H new ATOM 670 N ASP A 86 0.504 18.402 29.859 1.00 10.18 N ATOM 671 CA ASP A 86 -0.139 19.662 29.388 1.00 10.22 C ATOM 672 C ASP A 86 0.815 20.387 28.454 1.00 11.63 C ATOM 673 O ASP A 86 1.879 19.872 28.063 1.00 12.10 O ATOM 674 CB ASP A 86 -0.637 20.461 30.582 1.00 11.66 C ATOM 675 CG ASP A 86 0.502 20.833 31.510 1.00 13.19 C ATOM 676 OD1 ASP A 86 1.666 20.702 31.081 1.00 12.17 O ATOM 677 OD2 ASP A 86 0.207 21.224 32.672 1.00 16.62 O ATOM 0 H ASP A 86 0.967 18.460 30.582 1.00 10.18 H new ATOM 0 HA ASP A 86 -0.934 19.491 28.859 1.00 10.22 H new ATOM 0 HB2 ASP A 86 -1.081 21.266 30.273 1.00 11.66 H new ATOM 0 HB3 ASP A 86 -1.297 19.942 31.068 1.00 11.66 H new ATOM 678 N ASP A 87 0.433 21.613 28.047 1.00 11.92 N ATOM 679 CA ASP A 87 1.257 22.378 27.096 1.00 12.96 C ATOM 680 C ASP A 87 2.311 23.271 27.719 1.00 13.58 C ATOM 681 O ASP A 87 3.004 23.967 26.954 1.00 15.78 O ATOM 682 CB ASP A 87 0.286 23.132 26.181 1.00 14.62 C ATOM 683 CG ASP A 87 -0.473 22.270 25.197 1.00 16.13 C ATOM 684 OD1 ASP A 87 -0.213 21.045 25.041 1.00 15.99 O ATOM 685 OD2 ASP A 87 -1.371 22.902 24.578 1.00 17.41 O ATOM 0 H ASP A 87 -0.285 22.010 28.305 1.00 11.92 H new ATOM 0 HA ASP A 87 1.805 21.759 26.589 1.00 12.96 H new ATOM 0 HB2 ASP A 87 -0.354 23.607 26.734 1.00 14.62 H new ATOM 0 HB3 ASP A 87 0.784 23.801 25.686 1.00 14.62 H new ATOM 686 N ASN A 88 2.480 23.296 29.008 1.00 13.28 N ATOM 687 CA ASN A 88 3.461 24.162 29.686 1.00 12.58 C ATOM 688 C ASN A 88 4.634 23.298 30.129 1.00 13.07 C ATOM 689 O ASN A 88 4.351 22.473 31.002 1.00 13.19 O ATOM 690 CB ASN A 88 2.757 24.788 30.880 1.00 16.57 C ATOM 691 CG ASN A 88 3.758 25.165 31.964 1.00 19.69 C ATOM 692 OD1 ASN A 88 3.798 24.549 33.092 1.00 24.32 O ATOM 693 ND2 ASN A 88 4.602 26.103 31.583 1.00 18.36 N ATOM 0 H ASN A 88 2.026 22.805 29.548 1.00 13.28 H new ATOM 0 HA ASN A 88 3.798 24.862 29.106 1.00 12.58 H new ATOM 0 HB2 ASN A 88 2.270 25.577 30.596 1.00 16.57 H new ATOM 0 HB3 ASN A 88 2.105 24.166 31.239 1.00 16.57 H new ATOM 0 HD21 ASN A 88 5.240 26.345 32.106 1.00 18.36 H new ATOM 0 HD22 ASN A 88 4.514 26.473 30.812 1.00 18.36 H new ATOM 694 N ILE A 89 5.831 23.479 29.626 1.00 11.83 N ATOM 695 CA ILE A 89 6.917 22.586 30.061 1.00 10.85 C ATOM 696 C ILE A 89 7.728 23.141 31.205 1.00 10.83 C ATOM 697 O ILE A 89 8.791 22.555 31.453 1.00 10.38 O ATOM 698 CB ILE A 89 7.761 22.150 28.817 1.00 9.92 C ATOM 699 CG1 ILE A 89 8.562 23.351 28.249 1.00 11.13 C ATOM 700 CG2 ILE A 89 6.856 21.535 27.740 1.00 9.68 C ATOM 701 CD1 ILE A 89 9.512 22.975 27.083 1.00 13.46 C ATOM 0 H ILE A 89 6.047 24.083 29.053 1.00 11.83 H new ATOM 0 HA ILE A 89 6.527 21.784 30.443 1.00 10.85 H new ATOM 0 HB ILE A 89 8.396 21.474 29.100 1.00 9.92 H new ATOM 0 HG12 ILE A 89 7.939 24.028 27.942 1.00 11.13 H new ATOM 0 HG13 ILE A 89 9.083 23.749 28.964 1.00 11.13 H new ATOM 0 HG21 ILE A 89 7.394 21.271 26.977 1.00 9.68 H new ATOM 0 HG22 ILE A 89 6.405 20.757 28.102 1.00 9.68 H new ATOM 0 HG23 ILE A 89 6.197 22.189 27.459 1.00 9.68 H new ATOM 0 HD11 ILE A 89 9.979 23.768 26.777 1.00 13.46 H new ATOM 0 HD12 ILE A 89 10.157 22.319 27.390 1.00 13.46 H new ATOM 0 HD13 ILE A 89 8.995 22.603 26.352 1.00 13.46 H new ATOM 702 N ALA A 90 7.190 24.138 31.912 1.00 9.81 N ATOM 703 CA ALA A 90 8.008 24.672 33.014 1.00 10.36 C ATOM 704 C ALA A 90 8.226 23.611 34.106 1.00 9.17 C ATOM 705 O ALA A 90 9.373 23.497 34.614 1.00 8.52 O ATOM 706 CB ALA A 90 7.451 25.981 33.574 1.00 8.69 C ATOM 0 H ALA A 90 6.418 24.497 31.789 1.00 9.81 H new ATOM 0 HA ALA A 90 8.879 24.892 32.647 1.00 10.36 H new ATOM 0 HB1 ALA A 90 8.020 26.293 34.295 1.00 8.69 H new ATOM 0 HB2 ALA A 90 7.425 26.649 32.871 1.00 8.69 H new ATOM 0 HB3 ALA A 90 6.554 25.833 33.912 1.00 8.69 H new ATOM 707 N ASP A 91 7.188 22.881 34.462 1.00 9.11 N ATOM 708 CA ASP A 91 7.373 21.824 35.494 1.00 9.73 C ATOM 709 C ASP A 91 8.139 20.635 34.903 1.00 9.56 C ATOM 710 O ASP A 91 8.920 20.058 35.657 1.00 8.22 O ATOM 711 CB ASP A 91 6.128 21.398 36.218 1.00 9.24 C ATOM 712 CG ASP A 91 4.909 21.196 35.343 1.00 9.26 C ATOM 713 OD1 ASP A 91 5.093 21.082 34.107 1.00 9.48 O ATOM 714 OD2 ASP A 91 3.796 21.159 35.913 1.00 9.44 O ATOM 0 H ASP A 91 6.392 22.959 34.146 1.00 9.11 H new ATOM 0 HA ASP A 91 7.905 22.234 36.194 1.00 9.73 H new ATOM 0 HB2 ASP A 91 6.312 20.569 36.688 1.00 9.24 H new ATOM 0 HB3 ASP A 91 5.918 22.065 36.891 1.00 9.24 H new ATOM 715 N ASP A 92 7.902 20.315 33.631 1.00 10.39 N ATOM 716 CA ASP A 92 8.666 19.219 33.004 1.00 10.07 C ATOM 717 C ASP A 92 10.177 19.461 33.176 1.00 11.81 C ATOM 718 O ASP A 92 10.955 18.509 33.526 1.00 12.25 O ATOM 719 CB ASP A 92 8.347 19.028 31.527 1.00 10.63 C ATOM 720 CG ASP A 92 6.862 18.730 31.340 1.00 11.00 C ATOM 721 OD1 ASP A 92 6.035 19.553 31.771 1.00 9.62 O ATOM 722 OD2 ASP A 92 6.630 17.680 30.706 1.00 8.36 O ATOM 0 H ASP A 92 7.325 20.701 33.123 1.00 10.39 H new ATOM 0 HA ASP A 92 8.399 18.405 33.459 1.00 10.07 H new ATOM 0 HB2 ASP A 92 8.588 19.827 31.032 1.00 10.63 H new ATOM 0 HB3 ASP A 92 8.877 18.300 31.167 1.00 10.63 H new ATOM 723 N VAL A 93 10.555 20.693 32.834 1.00 9.54 N ATOM 724 CA VAL A 93 11.957 21.130 32.948 1.00 7.51 C ATOM 725 C VAL A 93 12.456 21.033 34.396 1.00 8.21 C ATOM 726 O VAL A 93 13.540 20.447 34.606 1.00 8.28 O ATOM 727 CB VAL A 93 12.127 22.570 32.350 1.00 3.99 C ATOM 728 CG1 VAL A 93 13.446 23.216 32.720 1.00 5.96 C ATOM 729 CG2 VAL A 93 11.996 22.487 30.821 1.00 5.64 C ATOM 0 H VAL A 93 10.018 21.294 32.533 1.00 9.54 H new ATOM 0 HA VAL A 93 12.514 20.530 32.427 1.00 7.51 H new ATOM 0 HB VAL A 93 11.432 23.130 32.729 1.00 3.99 H new ATOM 0 HG11 VAL A 93 13.496 24.100 32.325 1.00 5.96 H new ATOM 0 HG12 VAL A 93 13.511 23.290 33.685 1.00 5.96 H new ATOM 0 HG13 VAL A 93 14.177 22.672 32.388 1.00 5.96 H new ATOM 0 HG21 VAL A 93 12.099 23.372 30.439 1.00 5.64 H new ATOM 0 HG22 VAL A 93 12.684 21.901 30.468 1.00 5.64 H new ATOM 0 HG23 VAL A 93 11.122 22.135 30.590 1.00 5.64 H new ATOM 730 N ALA A 94 11.702 21.572 35.323 1.00 7.08 N ATOM 731 CA ALA A 94 12.117 21.511 36.747 1.00 8.84 C ATOM 732 C ALA A 94 12.353 20.050 37.153 1.00 9.95 C ATOM 733 O ALA A 94 13.287 19.721 37.889 1.00 10.61 O ATOM 734 CB ALA A 94 11.104 22.221 37.595 1.00 8.30 C ATOM 0 H ALA A 94 10.957 21.975 35.176 1.00 7.08 H new ATOM 0 HA ALA A 94 12.960 21.971 36.883 1.00 8.84 H new ATOM 0 HB1 ALA A 94 11.375 22.181 38.525 1.00 8.30 H new ATOM 0 HB2 ALA A 94 11.041 23.148 37.317 1.00 8.30 H new ATOM 0 HB3 ALA A 94 10.239 21.794 37.492 1.00 8.30 H new ATOM 735 N CYS A 95 11.522 19.177 36.631 1.00 9.66 N ATOM 736 CA CYS A 95 11.636 17.723 36.932 1.00 8.96 C ATOM 737 C CYS A 95 12.833 17.105 36.224 1.00 8.42 C ATOM 738 O CYS A 95 13.510 16.264 36.828 1.00 8.59 O ATOM 739 CB CYS A 95 10.321 16.993 36.625 1.00 10.76 C ATOM 740 SG CYS A 95 10.369 15.244 37.151 1.00 11.32 S ATOM 0 H CYS A 95 10.879 19.382 36.098 1.00 9.66 H new ATOM 0 HA CYS A 95 11.797 17.619 37.883 1.00 8.96 H new ATOM 0 HB2 CYS A 95 9.589 17.445 37.074 1.00 10.76 H new ATOM 0 HB3 CYS A 95 10.142 17.039 35.673 1.00 10.76 H new ATOM 741 N ALA A 96 13.074 17.438 34.967 1.00 8.30 N ATOM 742 CA ALA A 96 14.198 16.927 34.190 1.00 8.39 C ATOM 743 C ALA A 96 15.491 17.324 34.890 1.00 10.11 C ATOM 744 O ALA A 96 16.494 16.573 34.943 1.00 10.21 O ATOM 745 CB ALA A 96 14.100 17.455 32.758 1.00 9.79 C ATOM 0 H ALA A 96 12.576 17.983 34.526 1.00 8.30 H new ATOM 0 HA ALA A 96 14.183 15.959 34.133 1.00 8.39 H new ATOM 0 HB1 ALA A 96 14.845 17.118 32.237 1.00 9.79 H new ATOM 0 HB2 ALA A 96 13.267 17.158 32.360 1.00 9.79 H new ATOM 0 HB3 ALA A 96 14.125 18.425 32.768 1.00 9.79 H new ATOM 746 N LYS A 97 15.480 18.527 35.475 1.00 9.26 N ATOM 747 CA LYS A 97 16.668 19.037 36.171 1.00 8.93 C ATOM 748 C LYS A 97 16.935 18.151 37.398 1.00 9.51 C ATOM 749 O LYS A 97 18.059 17.734 37.681 1.00 9.02 O ATOM 750 CB LYS A 97 16.434 20.487 36.575 1.00 8.87 C ATOM 751 CG LYS A 97 16.744 21.517 35.465 1.00 9.23 C ATOM 752 CD LYS A 97 16.490 22.928 35.999 1.00 9.09 C ATOM 753 CE LYS A 97 16.642 23.923 34.860 1.00 10.14 C ATOM 754 NZ LYS A 97 16.027 25.233 35.224 1.00 10.68 N ATOM 0 H LYS A 97 14.803 19.058 35.481 1.00 9.26 H new ATOM 0 HA LYS A 97 17.445 19.009 35.591 1.00 8.93 H new ATOM 0 HB2 LYS A 97 15.509 20.590 36.848 1.00 8.87 H new ATOM 0 HB3 LYS A 97 16.982 20.688 37.350 1.00 8.87 H new ATOM 0 HG2 LYS A 97 17.666 21.430 35.177 1.00 9.23 H new ATOM 0 HG3 LYS A 97 16.187 21.349 34.689 1.00 9.23 H new ATOM 0 HD2 LYS A 97 15.599 22.987 36.379 1.00 9.09 H new ATOM 0 HD3 LYS A 97 17.116 23.135 36.710 1.00 9.09 H new ATOM 0 HE2 LYS A 97 17.582 24.047 34.655 1.00 10.14 H new ATOM 0 HE3 LYS A 97 16.221 23.573 34.059 1.00 10.14 H new ATOM 0 HZ1 LYS A 97 15.887 25.710 34.486 1.00 10.68 H new ATOM 0 HZ2 LYS A 97 15.252 25.092 35.638 1.00 10.68 H new ATOM 0 HZ3 LYS A 97 16.575 25.678 35.765 1.00 10.68 H new ATOM 755 N ARG A 98 15.825 17.814 38.055 1.00 9.88 N ATOM 756 CA ARG A 98 15.873 16.922 39.241 1.00 10.86 C ATOM 757 C ARG A 98 16.448 15.559 38.830 1.00 10.66 C ATOM 758 O ARG A 98 17.272 15.020 39.587 1.00 11.74 O ATOM 759 CB ARG A 98 14.516 16.752 39.897 1.00 13.33 C ATOM 760 CG ARG A 98 14.452 15.623 40.967 1.00 18.07 C ATOM 761 CD ARG A 98 15.240 15.980 42.172 1.00 19.35 C ATOM 762 NE ARG A 98 15.105 15.036 43.279 1.00 24.32 N ATOM 763 CZ ARG A 98 15.795 13.903 43.421 1.00 24.51 C ATOM 764 NH1 ARG A 98 16.736 13.586 42.507 1.00 26.72 N ATOM 765 NH2 ARG A 98 15.568 13.125 44.471 1.00 24.44 N ATOM 0 H ARG A 98 15.037 18.083 37.841 1.00 9.88 H new ATOM 0 HA ARG A 98 16.449 17.338 39.902 1.00 10.86 H new ATOM 0 HB2 ARG A 98 14.263 17.591 40.313 1.00 13.33 H new ATOM 0 HB3 ARG A 98 13.858 16.567 39.209 1.00 13.33 H new ATOM 0 HG2 ARG A 98 13.529 15.463 41.217 1.00 18.07 H new ATOM 0 HG3 ARG A 98 14.791 14.796 40.589 1.00 18.07 H new ATOM 0 HD2 ARG A 98 16.176 16.043 41.927 1.00 19.35 H new ATOM 0 HD3 ARG A 98 14.967 16.860 42.476 1.00 19.35 H new ATOM 0 HE ARG A 98 14.532 15.227 43.891 1.00 24.32 H new ATOM 0 HH11 ARG A 98 16.885 14.112 41.843 1.00 26.72 H new ATOM 0 HH12 ARG A 98 17.187 12.858 42.589 1.00 26.72 H new ATOM 0 HH21 ARG A 98 14.979 13.352 45.055 1.00 24.44 H new ATOM 0 HH22 ARG A 98 16.010 12.394 44.568 1.00 24.44 H new ATOM 766 N VAL A 99 16.026 15.003 37.702 1.00 9.74 N ATOM 767 CA VAL A 99 16.546 13.696 37.273 1.00 9.03 C ATOM 768 C VAL A 99 18.067 13.691 37.193 1.00 11.03 C ATOM 769 O VAL A 99 18.731 12.825 37.786 1.00 11.13 O ATOM 770 CB VAL A 99 15.904 13.276 35.936 1.00 6.85 C ATOM 771 CG1 VAL A 99 16.456 11.941 35.403 1.00 7.83 C ATOM 772 CG2 VAL A 99 14.400 13.237 36.114 1.00 7.09 C ATOM 0 H VAL A 99 15.447 15.355 37.172 1.00 9.74 H new ATOM 0 HA VAL A 99 16.302 13.040 37.945 1.00 9.03 H new ATOM 0 HB VAL A 99 16.134 13.932 35.260 1.00 6.85 H new ATOM 0 HG11 VAL A 99 16.021 11.723 34.564 1.00 7.83 H new ATOM 0 HG12 VAL A 99 17.412 12.020 35.261 1.00 7.83 H new ATOM 0 HG13 VAL A 99 16.283 11.238 36.049 1.00 7.83 H new ATOM 0 HG21 VAL A 99 13.982 12.974 35.279 1.00 7.09 H new ATOM 0 HG22 VAL A 99 14.172 12.596 36.805 1.00 7.09 H new ATOM 0 HG23 VAL A 99 14.082 14.116 36.371 1.00 7.09 H new ATOM 773 N VAL A 100 18.610 14.672 36.447 1.00 11.53 N ATOM 774 CA VAL A 100 20.048 14.772 36.214 1.00 12.55 C ATOM 775 C VAL A 100 20.840 15.128 37.455 1.00 14.31 C ATOM 776 O VAL A 100 22.083 14.975 37.404 1.00 15.67 O ATOM 777 CB VAL A 100 20.407 15.631 34.976 1.00 13.85 C ATOM 778 CG1 VAL A 100 19.658 15.148 33.753 1.00 11.66 C ATOM 779 CG2 VAL A 100 20.224 17.111 35.253 1.00 10.91 C ATOM 0 H VAL A 100 18.149 15.291 36.067 1.00 11.53 H new ATOM 0 HA VAL A 100 20.335 13.873 35.990 1.00 12.55 H new ATOM 0 HB VAL A 100 21.351 15.517 34.783 1.00 13.85 H new ATOM 0 HG11 VAL A 100 19.896 15.697 32.990 1.00 11.66 H new ATOM 0 HG12 VAL A 100 19.894 14.225 33.572 1.00 11.66 H new ATOM 0 HG13 VAL A 100 18.703 15.212 33.912 1.00 11.66 H new ATOM 0 HG21 VAL A 100 20.456 17.620 34.461 1.00 10.91 H new ATOM 0 HG22 VAL A 100 19.299 17.284 35.488 1.00 10.91 H new ATOM 0 HG23 VAL A 100 20.799 17.377 35.987 1.00 10.91 H new ATOM 780 N ARG A 101 20.159 15.513 38.510 1.00 15.84 N ATOM 781 CA ARG A 101 20.859 15.790 39.771 1.00 17.70 C ATOM 782 C ARG A 101 21.219 14.475 40.446 1.00 18.82 C ATOM 783 O ARG A 101 22.027 14.499 41.392 1.00 19.00 O ATOM 784 CB ARG A 101 20.069 16.720 40.685 1.00 17.80 C ATOM 785 CG ARG A 101 20.176 18.189 40.295 1.00 18.35 C ATOM 786 CD ARG A 101 19.875 19.111 41.393 1.00 17.77 C ATOM 787 NE ARG A 101 18.566 19.097 41.986 1.00 20.19 N ATOM 788 CZ ARG A 101 17.466 19.561 41.398 1.00 18.82 C ATOM 789 NH1 ARG A 101 17.510 20.105 40.197 1.00 19.45 N ATOM 790 NH2 ARG A 101 16.300 19.461 42.017 1.00 19.83 N ATOM 0 H ARG A 101 19.306 15.622 38.532 1.00 15.84 H new ATOM 0 HA ARG A 101 21.679 16.269 39.571 1.00 17.70 H new ATOM 0 HB2 ARG A 101 19.135 16.457 40.674 1.00 17.80 H new ATOM 0 HB3 ARG A 101 20.384 16.611 41.596 1.00 17.80 H new ATOM 0 HG2 ARG A 101 21.073 18.365 39.971 1.00 18.35 H new ATOM 0 HG3 ARG A 101 19.569 18.365 39.559 1.00 18.35 H new ATOM 0 HD2 ARG A 101 20.517 18.941 42.100 1.00 17.77 H new ATOM 0 HD3 ARG A 101 20.039 20.011 41.071 1.00 17.77 H new ATOM 0 HE ARG A 101 18.488 18.766 42.776 1.00 20.19 H new ATOM 0 HH11 ARG A 101 18.259 20.165 39.779 1.00 19.45 H new ATOM 0 HH12 ARG A 101 16.789 20.400 39.832 1.00 19.45 H new ATOM 0 HH21 ARG A 101 16.256 19.098 42.795 1.00 19.83 H new ATOM 0 HH22 ARG A 101 15.587 19.759 41.641 1.00 19.83 H new ATOM 791 N ASP A 102 20.744 13.333 39.969 1.00 19.89 N ATOM 792 CA ASP A 102 21.065 12.010 40.533 1.00 20.76 C ATOM 793 C ASP A 102 22.434 11.598 39.959 1.00 21.26 C ATOM 794 O ASP A 102 22.765 12.109 38.903 1.00 21.07 O ATOM 795 CB ASP A 102 20.053 10.964 40.063 1.00 21.06 C ATOM 796 CG ASP A 102 19.128 10.331 41.067 1.00 21.88 C ATOM 797 OD1 ASP A 102 18.809 11.010 42.083 1.00 21.89 O ATOM 798 OD2 ASP A 102 18.702 9.194 40.802 1.00 22.56 O ATOM 0 H ASP A 102 20.213 13.296 39.293 1.00 19.89 H new ATOM 0 HA ASP A 102 21.057 12.059 41.502 1.00 20.76 H new ATOM 0 HB2 ASP A 102 19.503 11.377 39.380 1.00 21.06 H new ATOM 0 HB3 ASP A 102 20.550 10.250 39.634 1.00 21.06 H new ATOM 799 N PRO A 103 23.104 10.695 40.638 1.00 22.74 N ATOM 800 CA PRO A 103 24.418 10.167 40.230 1.00 22.87 C ATOM 801 C PRO A 103 24.579 9.959 38.735 1.00 22.61 C ATOM 802 O PRO A 103 25.532 10.495 38.141 1.00 22.97 O ATOM 803 CB PRO A 103 24.538 8.847 41.029 1.00 22.53 C ATOM 804 CG PRO A 103 23.849 9.202 42.333 1.00 22.97 C ATOM 805 CD PRO A 103 22.664 10.068 41.918 1.00 22.88 C ATOM 0 HA PRO A 103 25.127 10.800 40.422 1.00 22.87 H new ATOM 0 HB2 PRO A 103 24.101 8.108 40.577 1.00 22.53 H new ATOM 0 HB3 PRO A 103 25.463 8.589 41.166 1.00 22.53 H new ATOM 0 HG2 PRO A 103 23.557 8.407 42.805 1.00 22.97 H new ATOM 0 HG3 PRO A 103 24.446 9.682 42.928 1.00 22.97 H new ATOM 0 HD2 PRO A 103 21.862 9.537 41.796 1.00 22.88 H new ATOM 0 HD3 PRO A 103 22.461 10.738 42.590 1.00 22.88 H new ATOM 806 N GLN A 104 23.710 9.207 38.120 1.00 21.46 N ATOM 807 CA GLN A 104 23.637 8.871 36.715 1.00 21.65 C ATOM 808 C GLN A 104 23.476 10.019 35.723 1.00 20.52 C ATOM 809 O GLN A 104 23.847 9.829 34.540 1.00 20.25 O ATOM 810 CB GLN A 104 22.443 7.911 36.456 1.00 24.51 C ATOM 811 CG GLN A 104 22.874 6.568 35.931 1.00 29.02 C ATOM 812 CD GLN A 104 21.706 5.782 35.370 1.00 30.42 C ATOM 813 OE1 GLN A 104 21.965 5.121 34.238 1.00 31.97 O flip ATOM 814 NE2 GLN A 104 20.637 5.788 35.981 1.00 31.93 N flip ATOM 0 H GLN A 104 23.072 8.834 38.560 1.00 21.46 H new ATOM 0 HA GLN A 104 24.510 8.482 36.551 1.00 21.65 H new ATOM 0 HB2 GLN A 104 21.949 7.787 37.281 1.00 24.51 H new ATOM 0 HB3 GLN A 104 21.836 8.322 35.821 1.00 24.51 H new ATOM 0 HG2 GLN A 104 23.543 6.691 35.240 1.00 29.02 H new ATOM 0 HG3 GLN A 104 23.292 6.061 36.644 1.00 29.02 H new ATOM 0 HE21 GLN A 104 20.559 6.244 36.706 1.00 31.93 H new ATOM 0 HE22 GLN A 104 19.969 5.336 35.683 1.00 31.93 H new ATOM 815 N GLY A 105 22.882 11.124 36.119 1.00 19.39 N ATOM 816 CA GLY A 105 22.698 12.288 35.224 1.00 18.20 C ATOM 817 C GLY A 105 21.802 11.940 34.048 1.00 17.31 C ATOM 818 O GLY A 105 20.808 11.217 34.214 1.00 18.14 O ATOM 0 H GLY A 105 22.568 11.238 36.911 1.00 19.39 H new ATOM 0 HA2 GLY A 105 22.310 13.024 35.722 1.00 18.20 H new ATOM 0 HA3 GLY A 105 23.561 12.589 34.899 1.00 18.20 H new ATOM 819 N ILE A 106 22.145 12.464 32.898 1.00 16.41 N ATOM 820 CA ILE A 106 21.399 12.268 31.644 1.00 16.40 C ATOM 821 C ILE A 106 21.445 10.846 31.120 1.00 15.97 C ATOM 822 O ILE A 106 20.600 10.459 30.274 1.00 16.68 O ATOM 823 CB ILE A 106 21.848 13.323 30.572 1.00 14.51 C ATOM 824 CG1 ILE A 106 20.842 13.348 29.386 1.00 16.20 C ATOM 825 CG2 ILE A 106 23.300 13.063 30.069 1.00 15.52 C ATOM 826 CD1 ILE A 106 20.834 14.681 28.583 1.00 13.09 C ATOM 0 H ILE A 106 22.839 12.963 32.805 1.00 16.41 H new ATOM 0 HA ILE A 106 20.462 12.419 31.845 1.00 16.40 H new ATOM 0 HB ILE A 106 21.849 14.194 30.998 1.00 14.51 H new ATOM 0 HG12 ILE A 106 21.053 12.619 28.781 1.00 16.20 H new ATOM 0 HG13 ILE A 106 19.950 13.183 29.729 1.00 16.20 H new ATOM 0 HG21 ILE A 106 23.539 13.734 29.410 1.00 15.52 H new ATOM 0 HG22 ILE A 106 23.915 13.111 30.817 1.00 15.52 H new ATOM 0 HG23 ILE A 106 23.350 12.182 29.666 1.00 15.52 H new ATOM 0 HD11 ILE A 106 20.186 14.622 27.864 1.00 13.09 H new ATOM 0 HD12 ILE A 106 20.596 15.413 29.173 1.00 13.09 H new ATOM 0 HD13 ILE A 106 21.716 14.840 28.211 1.00 13.09 H new ATOM 827 N ARG A 107 22.388 10.054 31.560 1.00 16.56 N ATOM 828 CA ARG A 107 22.571 8.647 31.180 1.00 17.67 C ATOM 829 C ARG A 107 21.356 7.841 31.664 1.00 17.23 C ATOM 830 O ARG A 107 21.153 6.681 31.258 1.00 18.46 O ATOM 831 CB ARG A 107 23.853 8.055 31.769 1.00 18.85 C ATOM 832 CG ARG A 107 25.133 8.289 30.989 1.00 23.15 C ATOM 833 CD ARG A 107 26.309 8.382 31.902 1.00 26.58 C ATOM 834 NE ARG A 107 27.604 8.307 31.274 1.00 30.19 N ATOM 835 CZ ARG A 107 28.183 9.025 30.325 1.00 31.90 C ATOM 836 NH1 ARG A 107 27.620 10.069 29.700 1.00 33.10 N ATOM 837 NH2 ARG A 107 29.425 8.752 29.916 1.00 32.53 N ATOM 0 H ARG A 107 22.981 10.323 32.122 1.00 16.56 H new ATOM 0 HA ARG A 107 22.649 8.600 30.214 1.00 17.67 H new ATOM 0 HB2 ARG A 107 23.972 8.417 32.661 1.00 18.85 H new ATOM 0 HB3 ARG A 107 23.728 7.098 31.866 1.00 18.85 H new ATOM 0 HG2 ARG A 107 25.267 7.565 30.357 1.00 23.15 H new ATOM 0 HG3 ARG A 107 25.056 9.106 30.472 1.00 23.15 H new ATOM 0 HD2 ARG A 107 26.253 9.219 32.388 1.00 26.58 H new ATOM 0 HD3 ARG A 107 26.245 7.669 32.557 1.00 26.58 H new ATOM 0 HE ARG A 107 28.098 7.670 31.575 1.00 30.19 H new ATOM 0 HH11 ARG A 107 26.823 10.316 29.908 1.00 33.10 H new ATOM 0 HH12 ARG A 107 28.056 10.491 29.091 1.00 33.10 H new ATOM 0 HH21 ARG A 107 29.861 8.101 30.270 1.00 32.53 H new ATOM 0 HH22 ARG A 107 29.788 9.227 29.298 1.00 32.53 H new ATOM 838 N ALA A 108 20.560 8.447 32.493 1.00 17.06 N ATOM 839 CA ALA A 108 19.332 7.927 33.080 1.00 17.83 C ATOM 840 C ALA A 108 18.327 7.570 31.983 1.00 17.60 C ATOM 841 O ALA A 108 17.370 6.775 32.145 1.00 17.79 O ATOM 842 CB ALA A 108 18.770 8.923 34.091 1.00 18.23 C ATOM 0 H ALA A 108 20.726 9.247 32.761 1.00 17.06 H new ATOM 0 HA ALA A 108 19.524 7.108 33.563 1.00 17.83 H new ATOM 0 HB1 ALA A 108 17.953 8.568 34.476 1.00 18.23 H new ATOM 0 HB2 ALA A 108 19.421 9.072 34.795 1.00 18.23 H new ATOM 0 HB3 ALA A 108 18.578 9.763 33.646 1.00 18.23 H new ATOM 843 N TRP A 109 18.563 8.185 30.830 1.00 16.35 N ATOM 844 CA TRP A 109 17.704 7.953 29.645 1.00 16.05 C ATOM 845 C TRP A 109 18.562 7.145 28.666 1.00 15.31 C ATOM 846 O TRP A 109 19.548 7.704 28.176 1.00 15.37 O ATOM 847 CB TRP A 109 17.270 9.260 29.015 1.00 13.94 C ATOM 848 CG TRP A 109 16.134 9.976 29.640 1.00 13.13 C ATOM 849 CD1 TRP A 109 14.807 9.701 29.513 1.00 12.42 C ATOM 850 CD2 TRP A 109 16.239 11.143 30.473 1.00 12.57 C ATOM 851 NE1 TRP A 109 14.074 10.626 30.195 1.00 14.53 N ATOM 852 CE2 TRP A 109 14.910 11.530 30.791 1.00 13.62 C ATOM 853 CE3 TRP A 109 17.299 11.910 30.934 1.00 11.32 C ATOM 854 CZ2 TRP A 109 14.634 12.649 31.574 1.00 12.17 C ATOM 855 CZ3 TRP A 109 17.021 13.024 31.707 1.00 13.27 C ATOM 856 CH2 TRP A 109 15.710 13.387 32.011 1.00 12.66 C ATOM 0 H TRP A 109 19.208 8.739 30.702 1.00 16.35 H new ATOM 0 HA TRP A 109 16.891 7.484 29.888 1.00 16.05 H new ATOM 0 HB2 TRP A 109 18.034 9.858 29.009 1.00 13.94 H new ATOM 0 HB3 TRP A 109 17.040 9.084 28.089 1.00 13.94 H new ATOM 0 HD1 TRP A 109 14.453 8.988 29.032 1.00 12.42 H new ATOM 0 HE1 TRP A 109 13.215 10.639 30.243 1.00 14.53 H new ATOM 0 HE3 TRP A 109 18.177 11.681 30.728 1.00 11.32 H new ATOM 0 HZ2 TRP A 109 13.762 12.886 31.792 1.00 12.17 H new ATOM 0 HZ3 TRP A 109 17.723 13.541 32.030 1.00 13.27 H new ATOM 0 HH2 TRP A 109 15.558 14.148 32.523 1.00 12.66 H new ATOM 857 N VAL A 110 18.178 5.916 28.418 1.00 15.41 N ATOM 858 CA VAL A 110 18.960 5.065 27.499 1.00 16.43 C ATOM 859 C VAL A 110 18.983 5.642 26.108 1.00 14.83 C ATOM 860 O VAL A 110 20.026 5.466 25.438 1.00 16.67 O ATOM 861 CB VAL A 110 18.426 3.607 27.599 1.00 17.78 C ATOM 862 CG1 VAL A 110 17.011 3.524 27.055 1.00 19.02 C ATOM 863 CG2 VAL A 110 19.334 2.627 26.873 1.00 20.60 C ATOM 0 H VAL A 110 17.481 5.543 28.757 1.00 15.41 H new ATOM 0 HA VAL A 110 19.895 5.041 27.757 1.00 16.43 H new ATOM 0 HB VAL A 110 18.417 3.359 28.537 1.00 17.78 H new ATOM 0 HG11 VAL A 110 16.691 2.611 27.123 1.00 19.02 H new ATOM 0 HG12 VAL A 110 16.432 4.109 27.569 1.00 19.02 H new ATOM 0 HG13 VAL A 110 17.005 3.800 26.125 1.00 19.02 H new ATOM 0 HG21 VAL A 110 18.974 1.730 26.955 1.00 20.60 H new ATOM 0 HG22 VAL A 110 19.388 2.869 25.935 1.00 20.60 H new ATOM 0 HG23 VAL A 110 20.221 2.655 27.265 1.00 20.60 H new ATOM 864 N ALA A 111 17.930 6.258 25.613 1.00 14.02 N ATOM 865 CA ALA A 111 17.920 6.856 24.275 1.00 13.08 C ATOM 866 C ALA A 111 19.042 7.886 24.074 1.00 13.28 C ATOM 867 O ALA A 111 19.515 8.032 22.929 1.00 13.27 O ATOM 868 CB ALA A 111 16.578 7.485 23.979 1.00 15.14 C ATOM 0 H ALA A 111 17.189 6.347 26.040 1.00 14.02 H new ATOM 0 HA ALA A 111 18.081 6.132 23.650 1.00 13.08 H new ATOM 0 HB1 ALA A 111 16.592 7.874 23.091 1.00 15.14 H new ATOM 0 HB2 ALA A 111 15.886 6.807 24.024 1.00 15.14 H new ATOM 0 HB3 ALA A 111 16.394 8.178 24.632 1.00 15.14 H new ATOM 869 N TRP A 112 19.482 8.591 25.107 1.00 11.58 N ATOM 870 CA TRP A 112 20.578 9.563 25.015 1.00 10.92 C ATOM 871 C TRP A 112 21.892 8.885 24.619 1.00 11.06 C ATOM 872 O TRP A 112 22.694 9.251 23.754 1.00 10.46 O ATOM 873 CB TRP A 112 20.670 10.418 26.303 1.00 11.39 C ATOM 874 CG TRP A 112 21.752 11.442 26.167 1.00 11.36 C ATOM 875 CD1 TRP A 112 21.628 12.677 25.581 1.00 12.12 C ATOM 876 CD2 TRP A 112 23.118 11.323 26.567 1.00 13.59 C ATOM 877 NE1 TRP A 112 22.840 13.329 25.605 1.00 13.32 N ATOM 878 CE2 TRP A 112 23.767 12.556 26.211 1.00 13.17 C ATOM 879 CE3 TRP A 112 23.851 10.340 27.225 1.00 14.81 C ATOM 880 CZ2 TRP A 112 25.111 12.773 26.431 1.00 15.40 C ATOM 881 CZ3 TRP A 112 25.210 10.547 27.462 1.00 14.83 C ATOM 882 CH2 TRP A 112 25.821 11.732 27.070 1.00 16.92 C ATOM 0 H TRP A 112 19.150 8.521 25.897 1.00 11.58 H new ATOM 0 HA TRP A 112 20.385 10.187 24.298 1.00 10.92 H new ATOM 0 HB2 TRP A 112 19.821 10.856 26.470 1.00 11.39 H new ATOM 0 HB3 TRP A 112 20.850 9.847 27.066 1.00 11.39 H new ATOM 0 HD1 TRP A 112 20.843 13.022 25.222 1.00 12.12 H new ATOM 0 HE1 TRP A 112 22.985 14.113 25.282 1.00 13.32 H new ATOM 0 HE3 TRP A 112 23.439 9.554 27.504 1.00 14.81 H new ATOM 0 HZ2 TRP A 112 25.528 13.563 26.172 1.00 15.40 H new ATOM 0 HZ3 TRP A 112 25.711 9.887 27.885 1.00 14.83 H new ATOM 0 HH2 TRP A 112 26.730 11.844 27.234 1.00 16.92 H new ATOM 883 N ARG A 113 22.174 7.780 25.323 1.00 13.59 N ATOM 884 CA ARG A 113 23.369 6.960 25.070 1.00 14.18 C ATOM 885 C ARG A 113 23.295 6.389 23.658 1.00 13.46 C ATOM 886 O ARG A 113 24.325 6.354 22.956 1.00 14.76 O ATOM 887 CB ARG A 113 23.478 5.753 26.008 1.00 17.57 C ATOM 888 CG ARG A 113 23.303 6.051 27.482 1.00 21.23 C ATOM 889 CD ARG A 113 23.003 4.750 28.173 1.00 24.95 C ATOM 890 NE ARG A 113 22.626 5.045 29.553 1.00 28.10 N ATOM 891 CZ ARG A 113 22.400 4.018 30.398 1.00 30.61 C ATOM 892 NH1 ARG A 113 22.406 2.756 29.968 1.00 30.06 N ATOM 893 NH2 ARG A 113 22.285 4.356 31.692 1.00 31.85 N ATOM 0 H ARG A 113 21.678 7.485 25.960 1.00 13.59 H new ATOM 0 HA ARG A 113 24.131 7.544 25.207 1.00 14.18 H new ATOM 0 HB2 ARG A 113 22.812 5.099 25.746 1.00 17.57 H new ATOM 0 HB3 ARG A 113 24.347 5.341 25.879 1.00 17.57 H new ATOM 0 HG2 ARG A 113 24.107 6.454 27.847 1.00 21.23 H new ATOM 0 HG3 ARG A 113 22.581 6.684 27.619 1.00 21.23 H new ATOM 0 HD2 ARG A 113 22.285 4.283 27.718 1.00 24.95 H new ATOM 0 HD3 ARG A 113 23.779 4.168 28.151 1.00 24.95 H new ATOM 0 HE ARG A 113 22.550 5.858 29.822 1.00 28.10 H new ATOM 0 HH11 ARG A 113 22.556 2.585 29.139 1.00 30.06 H new ATOM 0 HH12 ARG A 113 22.260 2.113 30.520 1.00 30.06 H new ATOM 0 HH21 ARG A 113 22.356 5.180 31.929 1.00 31.85 H new ATOM 0 HH22 ARG A 113 22.140 3.749 32.284 1.00 31.85 H new ATOM 894 N ASN A 114 22.098 5.959 23.282 1.00 13.71 N ATOM 895 CA ASN A 114 21.965 5.339 21.950 1.00 13.28 C ATOM 896 C ASN A 114 22.039 6.296 20.781 1.00 13.34 C ATOM 897 O ASN A 114 22.696 6.032 19.765 1.00 12.39 O ATOM 898 CB ASN A 114 20.654 4.531 21.826 1.00 15.85 C ATOM 899 CG ASN A 114 20.567 3.406 22.859 1.00 16.27 C ATOM 900 OD1 ASN A 114 21.625 3.019 23.371 1.00 17.38 O ATOM 901 ND2 ASN A 114 19.339 3.022 23.166 1.00 16.51 N ATOM 0 H ASN A 114 21.378 6.008 23.749 1.00 13.71 H new ATOM 0 HA ASN A 114 22.741 4.759 21.896 1.00 13.28 H new ATOM 0 HB2 ASN A 114 19.897 5.128 21.936 1.00 15.85 H new ATOM 0 HB3 ASN A 114 20.591 4.154 20.934 1.00 15.85 H new ATOM 0 HD21 ASN A 114 19.213 2.439 23.786 1.00 16.51 H new ATOM 0 HD22 ASN A 114 18.667 3.355 22.746 1.00 16.51 H new ATOM 902 N ARG A 115 21.312 7.393 20.987 1.00 13.65 N ATOM 903 CA ARG A 115 21.156 8.411 19.961 1.00 14.18 C ATOM 904 C ARG A 115 21.937 9.695 20.070 1.00 13.22 C ATOM 905 O ARG A 115 22.010 10.289 18.966 1.00 13.16 O ATOM 906 CB ARG A 115 19.659 8.817 19.842 1.00 16.61 C ATOM 907 CG ARG A 115 18.720 7.599 19.996 1.00 20.90 C ATOM 908 CD ARG A 115 18.445 6.941 18.712 1.00 22.86 C ATOM 909 NE ARG A 115 17.546 5.784 18.799 1.00 25.19 N ATOM 910 CZ ARG A 115 17.158 5.227 17.631 1.00 24.56 C ATOM 911 NH1 ARG A 115 17.602 5.669 16.469 1.00 24.24 N ATOM 912 NH2 ARG A 115 16.266 4.261 17.654 1.00 25.71 N ATOM 0 H ARG A 115 20.899 7.564 21.722 1.00 13.65 H new ATOM 0 HA ARG A 115 21.527 7.956 19.188 1.00 14.18 H new ATOM 0 HB2 ARG A 115 19.448 9.476 20.521 1.00 16.61 H new ATOM 0 HB3 ARG A 115 19.505 9.237 18.981 1.00 16.61 H new ATOM 0 HG2 ARG A 115 19.121 6.959 20.605 1.00 20.90 H new ATOM 0 HG3 ARG A 115 17.884 7.886 20.395 1.00 20.90 H new ATOM 0 HD2 ARG A 115 18.058 7.591 18.105 1.00 22.86 H new ATOM 0 HD3 ARG A 115 19.286 6.654 18.322 1.00 22.86 H new ATOM 0 HE ARG A 115 17.279 5.476 19.556 1.00 25.19 H new ATOM 0 HH11 ARG A 115 18.153 6.329 16.442 1.00 24.24 H new ATOM 0 HH12 ARG A 115 17.340 5.297 15.739 1.00 24.24 H new ATOM 0 HH21 ARG A 115 15.940 3.994 18.404 1.00 25.71 H new ATOM 0 HH22 ARG A 115 16.008 3.896 16.919 1.00 25.71 H new ATOM 913 N CYS A 116 22.425 10.067 21.238 1.00 13.55 N ATOM 914 CA CYS A 116 23.090 11.379 21.370 1.00 14.12 C ATOM 915 C CYS A 116 24.549 11.427 21.793 1.00 14.95 C ATOM 916 O CYS A 116 25.288 12.292 21.282 1.00 14.94 O ATOM 917 CB CYS A 116 22.234 12.181 22.398 1.00 12.97 C ATOM 918 SG CYS A 116 20.483 12.285 21.975 1.00 11.23 S ATOM 0 H CYS A 116 22.391 9.598 21.958 1.00 13.55 H new ATOM 0 HA CYS A 116 23.131 11.742 20.471 1.00 14.12 H new ATOM 0 HB2 CYS A 116 22.322 11.767 23.271 1.00 12.97 H new ATOM 0 HB3 CYS A 116 22.593 13.079 22.473 1.00 12.97 H new ATOM 919 N GLN A 117 24.951 10.553 22.699 1.00 15.21 N ATOM 920 CA GLN A 117 26.314 10.471 23.221 1.00 16.53 C ATOM 921 C GLN A 117 27.353 10.296 22.112 1.00 16.89 C ATOM 922 O GLN A 117 27.188 9.505 21.194 1.00 15.45 O ATOM 923 CB GLN A 117 26.422 9.384 24.289 1.00 17.03 C ATOM 924 CG GLN A 117 27.844 9.160 24.786 1.00 20.44 C ATOM 925 CD GLN A 117 27.868 8.196 25.944 1.00 23.67 C ATOM 926 OE1 GLN A 117 26.975 7.204 25.934 1.00 27.03 O flip ATOM 927 NE2 GLN A 117 28.620 8.339 26.910 1.00 24.99 N flip ATOM 0 H GLN A 117 24.423 9.968 23.043 1.00 15.21 H new ATOM 0 HA GLN A 117 26.515 11.321 23.644 1.00 16.53 H new ATOM 0 HB2 GLN A 117 25.858 9.622 25.041 1.00 17.03 H new ATOM 0 HB3 GLN A 117 26.078 8.552 23.929 1.00 17.03 H new ATOM 0 HG2 GLN A 117 28.392 8.816 24.063 1.00 20.44 H new ATOM 0 HG3 GLN A 117 28.232 10.006 25.058 1.00 20.44 H new ATOM 0 HE21 GLN A 117 29.195 8.978 26.916 1.00 24.99 H new ATOM 0 HE22 GLN A 117 28.569 7.800 27.578 1.00 24.99 H new ATOM 928 N ASN A 118 28.408 11.095 22.199 1.00 18.29 N ATOM 929 CA ASN A 118 29.552 11.092 21.273 1.00 20.37 C ATOM 930 C ASN A 118 29.190 11.314 19.811 1.00 20.05 C ATOM 931 O ASN A 118 29.887 10.810 18.881 1.00 22.33 O ATOM 932 CB ASN A 118 30.401 9.825 21.486 1.00 22.76 C ATOM 933 CG ASN A 118 30.828 9.817 22.945 1.00 25.59 C ATOM 934 OD1 ASN A 118 30.694 8.795 23.629 1.00 28.36 O ATOM 935 ND2 ASN A 118 31.268 10.987 23.425 1.00 28.01 N ATOM 0 H ASN A 118 28.487 11.681 22.823 1.00 18.29 H new ATOM 0 HA ASN A 118 30.087 11.870 21.495 1.00 20.37 H new ATOM 0 HB2 ASN A 118 29.889 9.029 21.274 1.00 22.76 H new ATOM 0 HB3 ASN A 118 31.175 9.828 20.902 1.00 22.76 H new ATOM 0 HD21 ASN A 118 31.477 11.060 24.256 1.00 28.01 H new ATOM 0 HD22 ASN A 118 31.342 11.666 22.902 1.00 28.01 H new ATOM 936 N ARG A 119 28.101 12.023 19.640 1.00 17.14 N ATOM 937 CA ARG A 119 27.604 12.374 18.316 1.00 17.68 C ATOM 938 C ARG A 119 27.742 13.894 18.143 1.00 15.38 C ATOM 939 O ARG A 119 27.844 14.569 19.166 1.00 15.38 O ATOM 940 CB ARG A 119 26.125 12.003 18.115 1.00 19.81 C ATOM 941 CG ARG A 119 25.991 10.491 18.358 1.00 21.44 C ATOM 942 CD ARG A 119 25.083 9.819 17.431 1.00 24.37 C ATOM 943 NE ARG A 119 24.720 8.482 17.949 1.00 25.65 N ATOM 944 CZ ARG A 119 24.004 7.682 17.148 1.00 27.76 C ATOM 945 NH1 ARG A 119 23.690 8.131 15.923 1.00 29.77 N ATOM 946 NH2 ARG A 119 23.579 6.479 17.548 1.00 26.95 N ATOM 0 H ARG A 119 27.619 12.321 20.287 1.00 17.14 H new ATOM 0 HA ARG A 119 28.124 11.877 17.665 1.00 17.68 H new ATOM 0 HB2 ARG A 119 25.562 12.499 18.730 1.00 19.81 H new ATOM 0 HB3 ARG A 119 25.835 12.232 17.218 1.00 19.81 H new ATOM 0 HG2 ARG A 119 26.868 10.083 18.290 1.00 21.44 H new ATOM 0 HG3 ARG A 119 25.679 10.345 19.265 1.00 21.44 H new ATOM 0 HD2 ARG A 119 24.283 10.353 17.307 1.00 24.37 H new ATOM 0 HD3 ARG A 119 25.504 9.733 16.561 1.00 24.37 H new ATOM 0 HE ARG A 119 24.960 8.228 18.735 1.00 25.65 H new ATOM 0 HH11 ARG A 119 23.948 8.912 15.672 1.00 29.77 H new ATOM 0 HH12 ARG A 119 23.231 7.637 15.389 1.00 29.77 H new ATOM 0 HH21 ARG A 119 23.764 6.199 18.340 1.00 26.95 H new ATOM 0 HH22 ARG A 119 23.121 5.985 17.013 1.00 26.95 H new ATOM 947 N ASP A 120 27.725 14.275 16.900 1.00 15.01 N ATOM 948 CA ASP A 120 27.787 15.717 16.548 1.00 15.56 C ATOM 949 C ASP A 120 26.295 16.094 16.711 1.00 14.49 C ATOM 950 O ASP A 120 25.564 15.617 15.854 1.00 15.42 O ATOM 951 CB ASP A 120 28.409 15.953 15.189 1.00 16.65 C ATOM 952 CG ASP A 120 28.363 17.448 14.814 1.00 18.17 C ATOM 953 OD1 ASP A 120 28.134 18.306 15.682 1.00 19.76 O ATOM 954 OD2 ASP A 120 28.514 17.681 13.615 1.00 19.19 O ATOM 0 H ASP A 120 27.679 13.740 16.228 1.00 15.01 H new ATOM 0 HA ASP A 120 28.367 16.274 17.090 1.00 15.56 H new ATOM 0 HB2 ASP A 120 29.329 15.645 15.192 1.00 16.65 H new ATOM 0 HB3 ASP A 120 27.938 15.433 14.519 1.00 16.65 H new ATOM 955 N VAL A 121 25.920 16.800 17.758 1.00 13.35 N ATOM 956 CA VAL A 121 24.506 17.151 17.967 1.00 13.63 C ATOM 957 C VAL A 121 24.168 18.612 17.631 1.00 15.35 C ATOM 958 O VAL A 121 23.087 19.076 18.028 1.00 11.87 O ATOM 959 CB VAL A 121 24.096 16.799 19.396 1.00 12.83 C ATOM 960 CG1 VAL A 121 24.241 15.269 19.613 1.00 14.79 C ATOM 961 CG2 VAL A 121 24.881 17.523 20.462 1.00 12.83 C ATOM 0 H VAL A 121 26.456 17.091 18.364 1.00 13.35 H new ATOM 0 HA VAL A 121 23.989 16.624 17.338 1.00 13.63 H new ATOM 0 HB VAL A 121 23.174 17.087 19.489 1.00 12.83 H new ATOM 0 HG11 VAL A 121 23.981 15.045 20.520 1.00 14.79 H new ATOM 0 HG12 VAL A 121 23.669 14.798 18.987 1.00 14.79 H new ATOM 0 HG13 VAL A 121 25.164 15.007 19.468 1.00 14.79 H new ATOM 0 HG21 VAL A 121 24.566 17.250 21.338 1.00 12.83 H new ATOM 0 HG22 VAL A 121 25.822 17.305 20.375 1.00 12.83 H new ATOM 0 HG23 VAL A 121 24.760 18.480 20.359 1.00 12.83 H new ATOM 962 N ARG A 122 25.089 19.265 16.939 1.00 17.59 N ATOM 963 CA ARG A 122 24.842 20.700 16.590 1.00 19.50 C ATOM 964 C ARG A 122 23.590 20.853 15.765 1.00 20.03 C ATOM 965 O ARG A 122 22.850 21.862 15.904 1.00 20.12 O ATOM 966 CB ARG A 122 26.094 21.344 15.980 1.00 22.38 C ATOM 967 CG ARG A 122 27.243 21.292 16.996 1.00 26.12 C ATOM 968 CD ARG A 122 28.569 21.578 16.393 1.00 29.90 C ATOM 969 NE ARG A 122 28.910 20.724 15.261 1.00 32.03 N ATOM 970 CZ ARG A 122 29.874 21.070 14.386 1.00 34.08 C ATOM 971 NH1 ARG A 122 30.551 22.223 14.514 1.00 34.35 N ATOM 972 NH2 ARG A 122 30.181 20.244 13.374 1.00 34.03 N ATOM 0 H ARG A 122 25.834 18.935 16.664 1.00 17.59 H new ATOM 0 HA ARG A 122 24.670 21.200 17.404 1.00 19.50 H new ATOM 0 HB2 ARG A 122 26.346 20.878 15.168 1.00 22.38 H new ATOM 0 HB3 ARG A 122 25.909 22.264 15.733 1.00 22.38 H new ATOM 0 HG2 ARG A 122 27.071 21.933 17.704 1.00 26.12 H new ATOM 0 HG3 ARG A 122 27.264 20.414 17.408 1.00 26.12 H new ATOM 0 HD2 ARG A 122 28.588 22.504 16.104 1.00 29.90 H new ATOM 0 HD3 ARG A 122 29.251 21.480 17.076 1.00 29.90 H new ATOM 0 HE ARG A 122 28.487 19.984 15.150 1.00 32.03 H new ATOM 0 HH11 ARG A 122 30.372 22.757 15.164 1.00 34.35 H new ATOM 0 HH12 ARG A 122 31.163 22.427 13.946 1.00 34.35 H new ATOM 0 HH21 ARG A 122 29.763 19.498 13.286 1.00 34.03 H new ATOM 0 HH22 ARG A 122 30.796 20.461 12.813 1.00 34.03 H new ATOM 973 N GLN A 123 23.314 19.860 14.939 1.00 19.82 N ATOM 974 CA GLN A 123 22.124 19.856 14.099 1.00 20.97 C ATOM 975 C GLN A 123 20.883 20.339 14.855 1.00 19.83 C ATOM 976 O GLN A 123 20.091 21.131 14.319 1.00 20.66 O ATOM 977 CB GLN A 123 21.830 18.451 13.517 1.00 22.36 C ATOM 978 CG GLN A 123 21.981 17.339 14.563 1.00 26.42 C ATOM 979 CD GLN A 123 21.863 15.965 13.941 1.00 27.79 C ATOM 980 OE1 GLN A 123 20.795 15.455 13.599 1.00 29.29 O ATOM 981 NE2 GLN A 123 22.998 15.294 13.755 1.00 30.01 N ATOM 0 H GLN A 123 23.812 19.165 14.847 1.00 19.82 H new ATOM 0 HA GLN A 123 22.315 20.471 13.374 1.00 20.97 H new ATOM 0 HB2 GLN A 123 20.928 18.434 13.159 1.00 22.36 H new ATOM 0 HB3 GLN A 123 22.432 18.278 12.776 1.00 22.36 H new ATOM 0 HG2 GLN A 123 22.842 17.423 15.002 1.00 26.42 H new ATOM 0 HG3 GLN A 123 21.302 17.444 15.247 1.00 26.42 H new ATOM 0 HE21 GLN A 123 23.748 15.643 13.991 1.00 30.01 H new ATOM 0 HE22 GLN A 123 22.981 14.511 13.399 1.00 30.01 H new ATOM 982 N TYR A 124 20.687 19.843 16.064 1.00 18.54 N ATOM 983 CA TYR A 124 19.503 20.177 16.856 1.00 16.90 C ATOM 984 C TYR A 124 19.394 21.657 17.172 1.00 16.55 C ATOM 985 O TYR A 124 18.211 22.035 17.321 1.00 17.58 O ATOM 986 CB TYR A 124 19.325 19.330 18.141 1.00 15.89 C ATOM 987 CG TYR A 124 19.387 17.843 17.796 1.00 15.90 C ATOM 988 CD1 TYR A 124 18.231 17.194 17.348 1.00 15.59 C ATOM 989 CD2 TYR A 124 20.588 17.139 17.911 1.00 15.07 C ATOM 990 CE1 TYR A 124 18.313 15.843 17.003 1.00 16.06 C ATOM 991 CE2 TYR A 124 20.655 15.771 17.575 1.00 15.58 C ATOM 992 CZ TYR A 124 19.513 15.144 17.119 1.00 15.68 C ATOM 993 OH TYR A 124 19.546 13.816 16.807 1.00 17.04 O ATOM 0 H TYR A 124 21.232 19.304 16.454 1.00 18.54 H new ATOM 0 HA TYR A 124 18.768 19.940 16.270 1.00 16.90 H new ATOM 0 HB2 TYR A 124 20.019 19.551 18.782 1.00 15.89 H new ATOM 0 HB3 TYR A 124 18.475 19.538 18.560 1.00 15.89 H new ATOM 0 HD1 TYR A 124 17.425 17.653 17.281 1.00 15.59 H new ATOM 0 HD2 TYR A 124 21.351 17.577 18.212 1.00 15.07 H new ATOM 0 HE1 TYR A 124 17.555 15.403 16.691 1.00 16.06 H new ATOM 0 HE2 TYR A 124 21.453 15.301 17.659 1.00 15.58 H new ATOM 0 HH TYR A 124 20.164 13.442 17.237 1.00 17.04 H new ATOM 994 N VAL A 125 20.446 22.418 17.250 1.00 14.67 N ATOM 995 CA VAL A 125 20.234 23.856 17.576 1.00 15.43 C ATOM 996 C VAL A 125 20.633 24.836 16.471 1.00 16.27 C ATOM 997 O VAL A 125 20.437 26.062 16.669 1.00 15.70 O ATOM 998 CB VAL A 125 20.960 24.169 18.903 1.00 14.06 C ATOM 999 CG1 VAL A 125 20.416 23.397 20.102 1.00 13.90 C ATOM 1000 CG2 VAL A 125 22.463 23.944 18.742 1.00 14.90 C ATOM 0 H VAL A 125 21.261 22.170 17.131 1.00 14.67 H new ATOM 0 HA VAL A 125 19.277 23.990 17.666 1.00 15.43 H new ATOM 0 HB VAL A 125 20.788 25.104 19.098 1.00 14.06 H new ATOM 0 HG11 VAL A 125 20.915 23.641 20.897 1.00 13.90 H new ATOM 0 HG12 VAL A 125 19.479 23.614 20.229 1.00 13.90 H new ATOM 0 HG13 VAL A 125 20.508 22.445 19.943 1.00 13.90 H new ATOM 0 HG21 VAL A 125 22.912 24.142 19.579 1.00 14.90 H new ATOM 0 HG22 VAL A 125 22.628 23.020 18.499 1.00 14.90 H new ATOM 0 HG23 VAL A 125 22.805 24.527 18.046 1.00 14.90 H new ATOM 1001 N GLN A 126 21.208 24.379 15.395 1.00 16.31 N ATOM 1002 CA GLN A 126 21.662 25.293 14.328 1.00 18.78 C ATOM 1003 C GLN A 126 20.501 26.098 13.791 1.00 16.89 C ATOM 1004 O GLN A 126 19.386 25.632 13.565 1.00 16.21 O ATOM 1005 CB GLN A 126 22.464 24.532 13.273 1.00 23.13 C ATOM 1006 CG GLN A 126 21.611 23.668 12.370 1.00 28.05 C ATOM 1007 CD GLN A 126 22.404 23.119 11.203 1.00 31.37 C ATOM 1008 OE1 GLN A 126 22.966 22.013 11.256 1.00 33.78 O ATOM 1009 NE2 GLN A 126 22.419 23.946 10.149 1.00 32.58 N ATOM 0 H GLN A 126 21.355 23.546 15.241 1.00 16.31 H new ATOM 0 HA GLN A 126 22.279 25.948 14.690 1.00 18.78 H new ATOM 0 HB2 GLN A 126 22.955 25.168 12.730 1.00 23.13 H new ATOM 0 HB3 GLN A 126 23.120 23.973 13.718 1.00 23.13 H new ATOM 0 HG2 GLN A 126 21.239 22.933 12.883 1.00 28.05 H new ATOM 0 HG3 GLN A 126 20.863 24.188 12.037 1.00 28.05 H new ATOM 0 HE21 GLN A 126 22.005 24.699 10.187 1.00 32.58 H new ATOM 0 HE22 GLN A 126 22.843 23.724 9.434 1.00 32.58 H new ATOM 1010 N GLY A 127 20.765 27.388 13.597 1.00 18.28 N ATOM 1011 CA GLY A 127 19.857 28.405 13.099 1.00 16.13 C ATOM 1012 C GLY A 127 18.792 28.857 14.054 1.00 16.91 C ATOM 1013 O GLY A 127 17.953 29.719 13.643 1.00 17.83 O ATOM 0 H GLY A 127 21.543 27.712 13.768 1.00 18.28 H new ATOM 0 HA2 GLY A 127 20.379 29.178 12.834 1.00 16.13 H new ATOM 0 HA3 GLY A 127 19.427 28.066 12.299 1.00 16.13 H new ATOM 1014 N CYS A 128 18.777 28.367 15.281 1.00 13.52 N ATOM 1015 CA CYS A 128 17.724 28.735 16.235 1.00 13.13 C ATOM 1016 C CYS A 128 17.993 30.007 17.027 1.00 12.73 C ATOM 1017 O CYS A 128 17.112 30.464 17.767 1.00 12.64 O ATOM 1018 CB CYS A 128 17.443 27.579 17.219 1.00 11.91 C ATOM 1019 SG CYS A 128 16.931 26.051 16.379 1.00 12.40 S ATOM 0 H CYS A 128 19.364 27.819 15.589 1.00 13.52 H new ATOM 0 HA CYS A 128 16.948 28.914 15.682 1.00 13.13 H new ATOM 0 HB2 CYS A 128 18.241 27.404 17.743 1.00 11.91 H new ATOM 0 HB3 CYS A 128 16.749 27.850 17.841 1.00 11.91 H new ATOM 1020 N GLY A 129 19.182 30.525 16.860 1.00 13.71 N ATOM 1021 CA GLY A 129 19.606 31.750 17.546 1.00 16.47 C ATOM 1022 C GLY A 129 19.669 31.548 19.034 1.00 16.69 C ATOM 1023 O GLY A 129 19.288 32.481 19.774 1.00 18.79 O ATOM 0 H GLY A 129 19.781 30.185 16.345 1.00 13.71 H new ATOM 0 HA2 GLY A 129 20.477 32.022 17.217 1.00 16.47 H new ATOM 0 HA3 GLY A 129 18.988 32.469 17.341 1.00 16.47 H new ATOM 1024 N VAL A 130 20.173 30.442 19.508 1.00 17.77 N ATOM 1025 CA VAL A 130 20.271 30.192 20.980 1.00 19.17 C ATOM 1026 C VAL A 130 21.755 30.129 21.344 1.00 21.48 C ATOM 1027 O VAL A 130 22.556 29.835 20.424 1.00 22.96 O ATOM 1028 CB VAL A 130 19.489 28.909 21.327 1.00 18.82 C ATOM 1029 CG1 VAL A 130 17.993 28.987 21.092 1.00 16.62 C ATOM 1030 CG2 VAL A 130 20.062 27.762 20.476 1.00 18.97 C ATOM 1031 OXT VAL A 130 22.125 30.372 22.503 1.00 24.62 O ATOM 0 H VAL A 130 20.473 29.802 19.018 1.00 17.77 H new ATOM 0 HA VAL A 130 19.870 30.903 21.504 1.00 19.17 H new ATOM 0 HB VAL A 130 19.598 28.768 22.280 1.00 18.82 H new ATOM 0 HG11 VAL A 130 17.583 28.142 21.335 1.00 16.62 H new ATOM 0 HG12 VAL A 130 17.616 29.697 21.635 1.00 16.62 H new ATOM 0 HG13 VAL A 130 17.822 29.172 20.155 1.00 16.62 H new ATOM 0 HG21 VAL A 130 19.586 26.941 20.676 1.00 18.97 H new ATOM 0 HG22 VAL A 130 19.959 27.974 19.535 1.00 18.97 H new ATOM 0 HG23 VAL A 130 21.003 27.647 20.680 1.00 18.97 H new TER 1032 VAL A 130 HETATM 1033 CA CA A 131 3.824 20.427 32.126 1.00 10.89 CA HETATM 1034 O HOH A 132 3.735 17.880 13.438 1.00 36.10 O HETATM 1035 O HOH A 133 12.009 25.323 13.795 1.00 15.63 O HETATM 1036 O HOH A 134 5.416 20.386 13.847 1.00 33.85 O HETATM 1037 O HOH A 135 10.374 20.652 14.082 1.00 15.52 O HETATM 1038 O HOH A 136 27.728 12.038 14.577 1.00 13.36 O HETATM 1039 O HOH A 137 14.800 17.975 14.933 1.00 13.14 O HETATM 1040 O HOH A 138 11.186 29.362 14.979 1.00 20.44 O HETATM 1041 O HOH A 139 8.143 16.705 15.309 1.00 33.98 O HETATM 1042 O HOH A 140 29.246 9.124 15.337 1.00 14.99 O HETATM 1043 O HOH A 141 8.318 19.677 15.376 1.00 17.54 O HETATM 1044 O HOH A 142 10.668 26.828 15.429 1.00 23.59 O HETATM 1045 O HOH A 143 10.666 13.116 15.599 1.00 43.89 O HETATM 1046 O HOH A 144 21.612 12.319 16.914 1.00 30.90 O HETATM 1047 O HOH A 145 5.547 14.854 17.132 1.00 35.79 O HETATM 1048 O HOH A 146 21.618 28.268 17.592 1.00 19.70 O HETATM 1049 O HOH A 147 8.100 10.418 17.617 1.00 37.46 O HETATM 1050 O HOH A 148 11.363 11.274 17.656 1.00 32.93 O HETATM 1051 O HOH A 149 9.276 30.978 18.764 1.00 24.52 O HETATM 1052 O HOH A 150 27.813 18.245 18.874 1.00 26.41 O HETATM 1053 O HOH A 151 10.267 34.581 19.723 1.00 28.88 O HETATM 1054 O HOH A 152 4.802 11.971 19.986 1.00 22.91 O HETATM 1055 O HOH A 153 25.267 7.665 20.570 1.00 16.18 O HETATM 1056 O HOH A 154 16.768 4.430 21.044 1.00 21.37 O HETATM 1057 O HOH A 155 11.722 4.258 21.160 1.00 36.70 O HETATM 1058 O HOH A 156 0.512 17.302 21.380 1.00 14.57 O HETATM 1059 O HOH A 157 -1.965 22.776 21.607 1.00 52.15 O HETATM 1060 O HOH A 158 28.078 15.177 21.710 1.00 31.77 O HETATM 1061 O HOH A 159 3.487 8.962 22.152 1.00 22.82 O HETATM 1062 O HOH A 160 26.829 21.086 22.204 1.00 21.35 O HETATM 1063 O HOH A 161 24.501 23.612 22.687 1.00 9.12 O HETATM 1064 O HOH A 162 -1.966 20.496 22.791 1.00 37.96 O HETATM 1065 O HOH A 163 -0.496 25.755 23.061 1.00 42.21 O HETATM 1066 O HOH A 164 26.394 14.191 23.167 1.00 21.02 O HETATM 1067 O HOH A 165 26.794 5.644 23.272 1.00 28.72 O HETATM 1068 O HOH A 166 10.135 7.183 23.822 1.00 41.18 O HETATM 1069 O HOH A 167 7.478 28.951 24.048 1.00 40.52 O HETATM 1070 O HOH A 168 24.933 25.643 24.104 1.00 18.68 O HETATM 1071 O HOH A 169 15.816 31.899 24.547 1.00 20.63 O HETATM 1072 O HOH A 170 1.306 3.567 25.328 1.00 35.99 O HETATM 1073 O HOH A 171 3.919 25.532 25.372 1.00 36.12 O HETATM 1074 O HOH A 172 -0.925 18.785 26.220 1.00 28.65 O HETATM 1075 O HOH A 173 9.233 34.252 26.524 1.00 41.33 O HETATM 1076 O HOH A 174 9.754 6.278 26.620 1.00 20.88 O HETATM 1077 O HOH A 175 17.202 33.284 26.745 1.00 43.15 O HETATM 1078 O HOH A 176 15.135 6.295 27.108 1.00 10.61 O HETATM 1079 O HOH A 177 10.197 -0.350 27.163 1.00 33.79 O HETATM 1080 O HOH A 178 27.256 18.569 27.232 1.00 5.97 O HETATM 1081 O HOH A 179 10.354 29.781 28.134 1.00 28.36 O HETATM 1082 O HOH A 180 5.927 26.238 28.155 1.00 23.22 O HETATM 1083 O HOH A 181 -0.347 5.079 28.208 1.00 38.21 O HETATM 1084 O HOH A 182 7.577 29.177 28.252 1.00 31.99 O HETATM 1085 O HOH A 183 5.461 17.406 28.307 1.00 7.00 O HETATM 1086 O HOH A 184 8.603 -2.776 29.023 1.00 27.73 O HETATM 1087 O HOH A 185 -1.633 23.627 29.090 1.00 14.02 O HETATM 1088 O HOH A 186 -3.565 16.826 29.308 1.00 32.49 O HETATM 1089 O HOH A 187 19.884 28.225 29.416 1.00 10.22 O HETATM 1090 O HOH A 188 15.771 5.074 29.692 1.00 27.90 O HETATM 1091 O HOH A 189 3.703 19.307 29.964 1.00 9.01 O HETATM 1092 O HOH A 190 12.213 7.347 30.095 1.00 30.12 O HETATM 1093 O HOH A 191 8.324 15.236 30.364 1.00 5.88 O HETATM 1094 O HOH A 192 22.566 28.866 30.909 1.00 47.37 O HETATM 1095 O HOH A 193 -0.067 4.218 31.241 1.00 15.21 O HETATM 1096 O HOH A 194 5.417 32.340 31.342 1.00 28.00 O HETATM 1097 O HOH A 195 -2.578 17.060 31.760 1.00 23.68 O HETATM 1098 O HOH A 196 6.976 29.986 32.038 1.00 21.21 O HETATM 1099 O HOH A 197 2.196 -5.094 32.379 1.00 38.32 O HETATM 1100 O HOH A 198 15.475 8.544 32.708 1.00 25.93 O HETATM 1101 O HOH A 199 12.620 9.204 33.382 1.00 25.83 O HETATM 1102 O HOH A 200 2.272 22.101 33.919 1.00 22.93 O HETATM 1103 O HOH A 201 -1.790 20.030 33.963 1.00 35.95 O HETATM 1104 O HOH A 202 1.954 3.510 34.887 1.00 11.28 O HETATM 1105 O HOH A 203 24.326 16.402 35.228 1.00 43.24 O HETATM 1106 O HOH A 204 27.281 23.856 35.233 1.00 20.06 O HETATM 1107 O HOH A 205 11.083 25.676 35.234 1.00 25.52 O HETATM 1108 O HOH A 206 10.785 2.094 35.516 1.00 24.09 O HETATM 1109 O HOH A 207 0.946 0.528 36.044 1.00 33.50 O HETATM 1110 O HOH A 208 13.588 25.183 36.474 1.00 24.80 O HETATM 1111 O HOH A 209 19.707 10.473 36.680 1.00 19.47 O HETATM 1112 O HOH A 210 24.302 23.644 37.010 1.00 19.43 O HETATM 1113 O HOH A 211 26.754 23.119 37.332 1.00 49.29 O HETATM 1114 O HOH A 212 18.351 8.172 37.542 1.00 33.21 O HETATM 1115 O HOH A 213 24.537 15.561 38.017 1.00 22.31 O HETATM 1116 O HOH A 214 2.958 21.740 38.365 1.00 33.32 O HETATM 1117 O HOH A 215 15.931 5.446 39.162 1.00 45.70 O HETATM 1118 O HOH A 216 7.330 22.162 39.565 1.00 46.39 O HETATM 1119 O HOH A 217 -2.304 -0.899 39.772 1.00 48.50 O HETATM 1120 O HOH A 218 25.978 14.699 39.830 1.00 18.40 O HETATM 1121 O HOH A 219 14.770 20.923 39.985 1.00 25.78 O HETATM 1122 O HOH A 220 1.069 18.367 40.219 1.00 11.14 O HETATM 1123 O HOH A 221 3.417 6.704 40.333 1.00 18.91 O HETATM 1124 O HOH A 222 11.494 19.313 40.350 1.00 32.87 O HETATM 1125 O HOH A 223 3.056 20.501 40.809 1.00 46.11 O HETATM 1126 O HOH A 224 5.725 7.538 40.991 1.00 8.37 O HETATM 1127 O HOH A 225 6.532 20.110 41.611 1.00 31.40 O HETATM 1128 O HOH A 226 2.184 4.734 41.802 1.00 15.95 O HETATM 1129 O HOH A 227 10.841 0.448 42.446 1.00 40.40 O HETATM 1130 O HOH A 228 -0.186 13.192 42.648 1.00 2.00 O HETATM 1131 O HOH A 229 4.320 7.812 42.932 1.00 20.20 O HETATM 1132 O HOH A 230 10.717 3.571 43.231 1.00 25.87 O HETATM 1133 O HOH A 231 -0.100 17.426 43.257 1.00 19.04 O HETATM 1134 O HOH A 232 2.043 15.264 43.666 1.00 18.90 O HETATM 1135 O HOH A 233 1.762 5.853 44.188 1.00 37.31 O HETATM 1136 O HOH A 234 16.879 19.216 44.980 1.00 42.76 O HETATM 1137 O HOH A 235 14.909 9.778 45.163 1.00 42.83 O HETATM 1138 O HOH A 236 18.786 20.964 45.358 1.00 29.67 O HETATM 1139 O HOH A 237 14.101 21.712 45.433 1.00 30.60 O HETATM 1140 O HOH A 238 4.847 7.997 45.539 1.00 22.38 O HETATM 1141 O HOH A 239 3.232 11.228 45.979 1.00 25.23 O HETATM 1142 O HOH A 240 12.591 19.127 46.949 1.00 27.48 O CONECT 53 1019 CONECT 243 918 CONECT 534 642 CONECT 612 740 CONECT 642 534 CONECT 652 1033 CONECT 676 1033 CONECT 689 1033 CONECT 713 1033 CONECT 721 1033 CONECT 740 612 CONECT 918 243 CONECT 1019 53 CONECT 1033 652 676 689 713 CONECT 1033 721 1091 1102 CONECT 1091 1033 CONECT 1102 1033 END