USER MOD reduce.3.24.130724 H: found=0, std=0, add=1644, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 10-MAY-04 1T7K TITLE CRYSTAL STRUCTURE OF HIV PROTEASE COMPLEXED WITH TITLE 2 ARYLSULFONAMIDE AZACYCLIC UREA COMPND MOL_ID: 1; COMPND 2 MOLECULE: POL POLYPROTEIN [CONTAINS: PROTEASE COMPND 3 (RETROPEPSIN)]; COMPND 4 CHAIN: A, B; COMPND 5 FRAGMENT: HIV PROTEASE; COMPND 6 EC: 3.4.23.16; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 GENE: POL; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS HIV PROTEASE, ARYLSULFONAMIDE AZACYCLIC UREA, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR P.P.HUANG,J.T.RANDOLPH,L.L.KLEIN,S.VASAVANONDA,T.DEKHTYAR, AUTHOR 2 V.S.STOLL,D.J.KEMPF REVDAT 3 24-FEB-09 1T7K 1 VERSN REVDAT 2 19-OCT-04 1T7K 1 JRNL REVDAT 1 05-OCT-04 1T7K 0 JRNL AUTH P.P.HUANG,J.T.RANDOLPH,L.L.KLEIN,S.VASAVANONDA, JRNL AUTH 2 T.DEKHTYAR,V.S.STOLL,D.J.KEMPF JRNL TITL SYNTHESIS AND ANTIVIRAL ACTIVITY OF P1' JRNL TITL 2 ARYLSULFONAMIDE AZACYCLIC UREA HIV PROTEASE JRNL TITL 3 INHIBITORS JRNL REF BIOORG.MED.CHEM.LETT. V. 14 4075 2004 JRNL REFN ISSN 0960-894X JRNL PMID 15225729 JRNL DOI 10.1016/J.BMCL.2004.05.036 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.10 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.10 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 16.12 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 7.1 REMARK 3 NUMBER OF REFLECTIONS : 12084 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.254 REMARK 3 FREE R VALUE : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : 860 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.10 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.23 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 87.10 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : 0.4210 REMARK 3 BIN FREE R VALUE : 0.4460 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : 153 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.036 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1516 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 43 REMARK 3 SOLVENT ATOMS : 112 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) : -0.53700 REMARK 3 B22 (A**2) : 0.12300 REMARK 3 B33 (A**2) : 0.41300 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.58 REMARK 3 ESD FROM SIGMAA (A) : 0.58 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.008 REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : 25.30 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.87 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : 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 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : LIG.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 TOPOLOGY FILE 2 : NULL REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1T7K COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAY-04. REMARK 100 THE RCSB ID CODE IS RCSB022411. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 4.7 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU200 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12084 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.100 REMARK 200 RESOLUTION RANGE LOW (A) : 16.120 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 90.5 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) : 2.10 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.18 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.8 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: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 53.20 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.63 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M SODIUM ACETATE, 0.6M NACL, PH REMARK 280 4.7, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z REMARK 290 3555 -X+1/2,Y+1/2,-Z 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 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 28.66300 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 43.00050 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 28.66300 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 43.00050 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 4910 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9430 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -23.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU B 35 121.84 -37.15 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 204 DISTANCE = 7.39 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BH0 B 1000 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1MUI RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF HIV-1 PROTEASE COMPLEXED WITH LOPINAVIR DBREF 1T7K A 1 99 UNP P03368 POL_HV1PV 69 167 DBREF 1T7K B 1 99 UNP P03368 POL_HV1PV 69 167 SEQRES 1 A 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY CYS THR LEU ASN PHE SEQRES 1 B 99 PRO GLN ILE THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY CYS THR LEU ASN PHE HET BH0 B1000 43 HETNAM BH0 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3- HETNAM 2 BH0 OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE FORMUL 3 BH0 C32 H30 N4 O6 S FORMUL 4 HOH *112(H2 O) HELIX 1 1 GLY A 86 THR A 91 1 6 HELIX 2 2 GLN A 92 GLY A 94 5 3 HELIX 3 3 GLY B 86 THR B 91 1 6 SHEET 1 A 4 GLN A 2 ILE A 3 0 SHEET 2 A 4 THR B 96 ASN B 98 -1 O LEU B 97 N ILE A 3 SHEET 3 A 4 THR A 96 ASN A 98 -1 N THR A 96 O ASN B 98 SHEET 4 A 4 GLN B 2 ILE B 3 -1 O ILE B 3 N LEU A 97 SHEET 1 B 8 LYS A 43 GLY A 49 0 SHEET 2 B 8 GLY A 52 ILE A 66 -1 O GLN A 58 N LYS A 43 SHEET 3 B 8 HIS A 69 VAL A 77 -1 O ALA A 71 N ILE A 64 SHEET 4 B 8 VAL A 32 LEU A 33 1 N LEU A 33 O LEU A 76 SHEET 5 B 8 ILE A 84 ILE A 85 -1 O ILE A 84 N VAL A 32 SHEET 6 B 8 GLN A 18 LEU A 24 1 N LEU A 23 O ILE A 85 SHEET 7 B 8 LEU A 10 ILE A 15 -1 N VAL A 11 O ALA A 22 SHEET 8 B 8 GLY A 52 ILE A 66 -1 O GLU A 65 N LYS A 14 SHEET 1 C 8 LYS B 43 GLY B 49 0 SHEET 2 C 8 GLY B 52 ILE B 66 -1 O GLN B 58 N LYS B 43 SHEET 3 C 8 HIS B 69 VAL B 77 -1 O HIS B 69 N ILE B 66 SHEET 4 C 8 VAL B 32 LEU B 33 1 N LEU B 33 O LEU B 76 SHEET 5 C 8 ILE B 84 ILE B 85 -1 O ILE B 84 N VAL B 32 SHEET 6 C 8 GLN B 18 LEU B 24 1 N LEU B 23 O ILE B 85 SHEET 7 C 8 LEU B 10 ILE B 15 -1 N ILE B 13 O LYS B 20 SHEET 8 C 8 GLY B 52 ILE B 66 -1 O GLU B 65 N LYS B 14 SITE *** AC1 21 ASP A 25 GLY A 27 ALA A 28 ASP A 29 SITE *** AC1 21 ASP A 30 GLY A 48 GLY A 49 ILE A 50 SITE *** AC1 21 PRO A 81 HOH A 160 ARG B 8 LEU B 23 SITE *** AC1 21 ASP B 25 GLY B 27 ALA B 28 ASP B 29 SITE *** AC1 21 ASP B 30 GLY B 48 GLY B 49 ILE B 50 SITE *** AC1 21 ILE B 84 CRYST1 57.326 86.001 46.077 90.00 90.00 90.00 P 21 21 2 8 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 0.017444 0.000000 0.000000 0.00000 SCALE2 0.000000 0.011628 0.000000 0.00000 SCALE3 0.000000 0.000000 0.021703 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: B 31 THR OG1 : rot 72:sc= 0.158 USER MOD Set 1.2: B 88 ASN : amide:sc= 0.479 K(o=0.64,f=-0.12) USER MOD Set 2.1: A 96 THR OG1 : rot 85:sc= 1.17 USER MOD Set 2.2: A 98 ASN : amide:sc= -2.53! K(o=-0.8!,f=-1.5) USER MOD Set 2.3: B 2 GLN :FLIP amide:sc= 0.032 F(o=-1.5,f=-0.8) USER MOD Set 2.4: B 96 THR OG1 : rot -170:sc= 1.31 USER MOD Set 2.5: B 98 ASN : amide:sc= -0.779 K(o=-0.8,f=-1.5!) USER MOD Set 3.1: A 91 THR OG1 : rot 91:sc= 1.02 USER MOD Set 3.2: A 92 GLN : amide:sc= 1.06 K(o=2.1,f=1.5) USER MOD Set 4.1: A 31 THR OG1 : rot 79:sc= 0.345 USER MOD Set 4.2: A 88 ASN : amide:sc= 0.157 K(o=0.5,f=-0.23) USER MOD Set 5.1: A 18 GLN : amide:sc= 0.212 K(o=0.25,f=-1) USER MOD Set 5.2: A 20 LYS NZ :NH3+ -104:sc= 0.0916 (180deg=-0.00153) USER MOD Set 5.3: A 36 MET CE :methyl -137:sc= -0.0527 (180deg=-1.36) USER MOD Set 6.1: A 26 THR OG1 : rot 106:sc= 1.55 USER MOD Set 6.2: B 26 THR OG1 : rot 100:sc= 1.23 USER MOD Single : A 2 GLN : amide:sc= 0.0387 X(o=0.039,f=-0.012) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 1.38 X(o=1.4,f=1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 162:sc= -0.14 (180deg=-0.571) USER MOD Single : A 45 LYS NZ :NH3+ 145:sc= 0.759 (180deg=0.241) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 163:sc= 0.0557 (180deg=0.0265) USER MOD Single : A 58 GLN : amide:sc= 0.162 K(o=0.16,f=-0.42) USER MOD Single : A 59 TYR OH : rot -168:sc= 1.11 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot -133:sc= -2.45 USER MOD Single : A 69 HIS : no HD1:sc= -0.272 K(o=-0.27,f=-1.2) USER MOD Single : A 70 LYS NZ :NH3+ 148:sc= 0.736 (180deg=0.17) USER MOD Single : A 74 THR OG1 : rot -100:sc= 1.51 USER MOD Single : A 80 THR OG1 : rot -123:sc= 1.28 USER MOD Single : A 83 ASN : amide:sc= 2.09 K(o=2.1,f=-2.8!) USER MOD Single : A 95 CYS SG : rot 180:sc= -0.394 USER MOD Single : B 4 THR OG1 : rot -66:sc= 0.888 USER MOD Single : B 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ -176:sc= 0.0422 (180deg=0.0414) USER MOD Single : B 18 GLN : amide:sc= 0 X(o=0,f=-0.0028) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 MET CE :methyl -136:sc= -0.0568 (180deg=-2.94!) USER MOD Single : B 37 SER OG : rot -71:sc= 0 USER MOD Single : B 43 LYS NZ :NH3+ 166:sc= -0.0323 (180deg=-0.147) USER MOD Single : B 45 LYS NZ :NH3+ -143:sc= 0.867 (180deg=0.23) USER MOD Single : B 46 MET CE :methyl -113:sc= -4.13! (180deg=-7.51!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 58 GLN : amide:sc= 0.518 K(o=0.52,f=-1.8) USER MOD Single : B 59 TYR OH : rot -106:sc= 0.769 USER MOD Single : B 61 GLN :FLIP amide:sc= -0.357 F(o=-3.4!,f=-0.36) USER MOD Single : B 67 CYS SG : rot -48:sc= -0.111 USER MOD Single : B 69 HIS :FLIP no HD1:sc= 0.0588 F(o=-0.85,f=0.059) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : rot -86:sc= 1.63 USER MOD Single : B 80 THR OG1 : rot -115:sc= 0.877 USER MOD Single : B 83 ASN : amide:sc= 1.79 K(o=1.8,f=-1.1!) USER MOD Single : B 91 THR OG1 : rot -78:sc= 0.0876 USER MOD Single : B 92 GLN : amide:sc= 1.12 K(o=1.1,f=-4.7!) USER MOD Single : B 95 CYS SG : rot 180:sc= -0.137 USER MOD Single : B1000 BH0 O1 : rot -89:sc= 0.433 USER MOD Single : B1000 BH0 O4 : rot 25:sc= 1.2 USER MOD Single : B1000 BH0 O5 : rot 14:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 29.020 41.114 4.122 1.00 35.30 N ATOM 2 CA PRO A 1 29.738 39.836 3.944 1.00 34.32 C ATOM 3 C PRO A 1 29.042 38.899 2.968 1.00 33.36 C ATOM 4 O PRO A 1 27.810 38.876 2.870 1.00 33.11 O ATOM 5 CB PRO A 1 29.818 39.181 5.311 1.00 34.98 C ATOM 6 CG PRO A 1 28.570 39.745 5.977 1.00 35.76 C ATOM 7 CD PRO A 1 28.539 41.215 5.512 1.00 35.80 C ATOM 0 H2 PRO A 1 28.357 41.159 3.576 1.00 35.30 H new ATOM 0 H3 PRO A 1 29.541 41.774 3.941 1.00 35.30 H new ATOM 0 HA PRO A 1 30.615 40.015 3.570 1.00 34.32 H new ATOM 0 HB2 PRO A 1 29.799 38.213 5.256 1.00 34.98 H new ATOM 0 HB3 PRO A 1 30.628 39.422 5.786 1.00 34.98 H new ATOM 0 HG2 PRO A 1 27.772 39.267 5.701 1.00 35.76 H new ATOM 0 HG3 PRO A 1 28.621 39.678 6.943 1.00 35.76 H new ATOM 0 HD2 PRO A 1 27.646 41.591 5.560 1.00 35.80 H new ATOM 0 HD3 PRO A 1 29.113 41.778 6.054 1.00 35.80 H new ATOM 8 N GLN A 2 29.846 38.124 2.251 1.00 31.12 N ATOM 9 CA GLN A 2 29.327 37.161 1.298 1.00 29.55 C ATOM 10 C GLN A 2 29.478 35.806 1.964 1.00 28.40 C ATOM 11 O GLN A 2 30.519 35.518 2.555 1.00 29.28 O ATOM 12 CB GLN A 2 30.142 37.196 0.009 1.00 30.45 C ATOM 13 CG GLN A 2 29.520 36.398 -1.115 1.00 31.53 C ATOM 14 CD GLN A 2 30.431 36.278 -2.305 1.00 31.99 C ATOM 15 OE1 GLN A 2 31.548 35.763 -2.197 1.00 32.81 O ATOM 16 NE2 GLN A 2 29.964 36.750 -3.456 1.00 31.90 N ATOM 0 H GLN A 2 30.704 38.143 2.305 1.00 31.12 H new ATOM 0 HA GLN A 2 28.405 37.353 1.065 1.00 29.55 H new ATOM 0 HB2 GLN A 2 30.245 38.117 -0.276 1.00 30.45 H new ATOM 0 HB3 GLN A 2 31.032 36.853 0.187 1.00 30.45 H new ATOM 0 HG2 GLN A 2 29.295 35.511 -0.793 1.00 31.53 H new ATOM 0 HG3 GLN A 2 28.690 36.820 -1.387 1.00 31.53 H new ATOM 0 HE21 GLN A 2 29.180 37.102 -3.490 1.00 31.90 H new ATOM 0 HE22 GLN A 2 30.446 36.704 -4.167 1.00 31.90 H new ATOM 17 N ILE A 3 28.438 34.985 1.896 1.00 26.18 N ATOM 18 CA ILE A 3 28.483 33.663 2.504 1.00 23.79 C ATOM 19 C ILE A 3 28.281 32.602 1.428 1.00 23.47 C ATOM 20 O ILE A 3 27.282 32.628 0.708 1.00 23.95 O ATOM 21 CB ILE A 3 27.381 33.500 3.571 1.00 24.03 C ATOM 22 CG1 ILE A 3 27.414 34.682 4.549 1.00 24.69 C ATOM 23 CG2 ILE A 3 27.592 32.206 4.333 1.00 23.18 C ATOM 24 CD1 ILE A 3 26.372 34.590 5.670 1.00 21.32 C ATOM 0 H ILE A 3 27.697 35.174 1.503 1.00 26.18 H new ATOM 0 HA ILE A 3 29.348 33.558 2.930 1.00 23.79 H new ATOM 0 HB ILE A 3 26.518 33.478 3.129 1.00 24.03 H new ATOM 0 HG12 ILE A 3 28.298 34.738 4.945 1.00 24.69 H new ATOM 0 HG13 ILE A 3 27.272 35.504 4.054 1.00 24.69 H new ATOM 0 HG21 ILE A 3 26.897 32.108 5.003 1.00 23.18 H new ATOM 0 HG22 ILE A 3 27.555 31.458 3.717 1.00 23.18 H new ATOM 0 HG23 ILE A 3 28.459 32.224 4.768 1.00 23.18 H new ATOM 0 HD11 ILE A 3 26.449 35.365 6.248 1.00 21.32 H new ATOM 0 HD12 ILE A 3 25.483 34.562 5.284 1.00 21.32 H new ATOM 0 HD13 ILE A 3 26.524 33.784 6.188 1.00 21.32 H new ATOM 25 N THR A 4 29.235 31.683 1.312 1.00 22.12 N ATOM 26 CA THR A 4 29.146 30.615 0.318 1.00 20.81 C ATOM 27 C THR A 4 28.341 29.464 0.906 1.00 19.37 C ATOM 28 O THR A 4 28.162 29.379 2.124 1.00 17.75 O ATOM 29 CB THR A 4 30.554 30.123 -0.134 1.00 21.64 C ATOM 30 OG1 THR A 4 31.302 29.662 0.999 1.00 23.94 O ATOM 31 CG2 THR A 4 31.319 31.264 -0.820 1.00 22.98 C ATOM 0 H THR A 4 29.943 31.659 1.799 1.00 22.12 H new ATOM 0 HA THR A 4 28.703 30.962 -0.472 1.00 20.81 H new ATOM 0 HB THR A 4 30.439 29.393 -0.762 1.00 21.64 H new ATOM 0 HG1 THR A 4 32.058 29.397 0.747 1.00 23.94 H new ATOM 0 HG21 THR A 4 32.193 30.947 -1.097 1.00 22.98 H new ATOM 0 HG22 THR A 4 30.823 31.565 -1.598 1.00 22.98 H new ATOM 0 HG23 THR A 4 31.425 32.002 -0.199 1.00 22.98 H new ATOM 32 N LEU A 5 27.871 28.570 0.039 1.00 17.27 N ATOM 33 CA LEU A 5 27.021 27.476 0.474 1.00 14.45 C ATOM 34 C LEU A 5 27.589 26.058 0.530 1.00 12.47 C ATOM 35 O LEU A 5 26.824 25.094 0.514 1.00 10.95 O ATOM 36 CB LEU A 5 25.745 27.504 -0.375 1.00 13.13 C ATOM 37 CG LEU A 5 25.055 28.874 -0.314 1.00 15.34 C ATOM 38 CD1 LEU A 5 23.805 28.900 -1.190 1.00 13.14 C ATOM 39 CD2 LEU A 5 24.688 29.173 1.136 1.00 13.70 C ATOM 0 H LEU A 5 28.035 28.583 -0.805 1.00 17.27 H new ATOM 0 HA LEU A 5 26.877 27.656 1.416 1.00 14.45 H new ATOM 0 HB2 LEU A 5 25.964 27.292 -1.296 1.00 13.13 H new ATOM 0 HB3 LEU A 5 25.133 26.819 -0.064 1.00 13.13 H new ATOM 0 HG LEU A 5 25.663 29.551 -0.650 1.00 15.34 H new ATOM 0 HD11 LEU A 5 23.389 29.774 -1.134 1.00 13.14 H new ATOM 0 HD12 LEU A 5 24.051 28.718 -2.110 1.00 13.14 H new ATOM 0 HD13 LEU A 5 23.180 28.225 -0.883 1.00 13.14 H new ATOM 0 HD21 LEU A 5 24.251 30.037 1.188 1.00 13.70 H new ATOM 0 HD22 LEU A 5 24.087 28.487 1.466 1.00 13.70 H new ATOM 0 HD23 LEU A 5 25.493 29.185 1.678 1.00 13.70 H new ATOM 40 N TRP A 6 28.914 25.931 0.607 1.00 10.66 N ATOM 41 CA TRP A 6 29.551 24.620 0.693 1.00 10.39 C ATOM 42 C TRP A 6 29.080 23.937 1.979 1.00 10.79 C ATOM 43 O TRP A 6 28.962 22.719 2.043 1.00 7.28 O ATOM 44 CB TRP A 6 31.083 24.746 0.712 1.00 9.52 C ATOM 45 CG TRP A 6 31.695 25.153 -0.610 1.00 13.16 C ATOM 46 CD1 TRP A 6 32.270 26.354 -0.916 1.00 11.48 C ATOM 47 CD2 TRP A 6 31.785 24.349 -1.801 1.00 12.84 C ATOM 48 NE1 TRP A 6 32.713 26.346 -2.219 1.00 14.54 N ATOM 49 CE2 TRP A 6 32.425 25.130 -2.784 1.00 14.64 C ATOM 50 CE3 TRP A 6 31.386 23.046 -2.125 1.00 13.57 C ATOM 51 CZ2 TRP A 6 32.677 24.652 -4.079 1.00 15.85 C ATOM 52 CZ3 TRP A 6 31.640 22.568 -3.416 1.00 16.92 C ATOM 53 CH2 TRP A 6 32.280 23.375 -4.372 1.00 16.52 C ATOM 0 H TRP A 6 29.462 26.594 0.611 1.00 10.66 H new ATOM 0 HA TRP A 6 29.303 24.097 -0.085 1.00 10.39 H new ATOM 0 HB2 TRP A 6 31.334 25.397 1.386 1.00 9.52 H new ATOM 0 HB3 TRP A 6 31.463 23.896 0.983 1.00 9.52 H new ATOM 0 HD1 TRP A 6 32.350 27.072 -0.330 1.00 11.48 H new ATOM 0 HE1 TRP A 6 33.107 26.999 -2.616 1.00 14.54 H new ATOM 0 HE3 TRP A 6 30.961 22.509 -1.495 1.00 13.57 H new ATOM 0 HZ2 TRP A 6 33.098 25.183 -4.715 1.00 15.85 H new ATOM 0 HZ3 TRP A 6 31.382 21.704 -3.644 1.00 16.92 H new ATOM 0 HH2 TRP A 6 32.437 23.034 -5.223 1.00 16.52 H new ATOM 54 N GLN A 7 28.830 24.737 3.008 1.00 10.24 N ATOM 55 CA GLN A 7 28.343 24.205 4.277 1.00 13.33 C ATOM 56 C GLN A 7 27.065 24.952 4.632 1.00 13.81 C ATOM 57 O GLN A 7 26.735 25.967 4.012 1.00 13.11 O ATOM 58 CB GLN A 7 29.373 24.403 5.400 1.00 12.66 C ATOM 59 CG GLN A 7 30.622 23.515 5.315 1.00 15.48 C ATOM 60 CD GLN A 7 31.652 24.018 4.316 1.00 14.81 C ATOM 61 OE1 GLN A 7 32.102 25.159 4.400 1.00 15.15 O ATOM 62 NE2 GLN A 7 32.035 23.165 3.373 1.00 16.46 N ATOM 0 H GLN A 7 28.935 25.590 2.994 1.00 10.24 H new ATOM 0 HA GLN A 7 28.184 23.253 4.185 1.00 13.33 H new ATOM 0 HB2 GLN A 7 29.655 25.331 5.399 1.00 12.66 H new ATOM 0 HB3 GLN A 7 28.936 24.240 6.251 1.00 12.66 H new ATOM 0 HG2 GLN A 7 31.032 23.460 6.192 1.00 15.48 H new ATOM 0 HG3 GLN A 7 30.355 22.615 5.069 1.00 15.48 H new ATOM 0 HE21 GLN A 7 31.698 22.374 3.346 1.00 16.46 H new ATOM 0 HE22 GLN A 7 32.620 23.403 2.790 1.00 16.46 H new ATOM 63 N ARG A 8 26.337 24.439 5.615 1.00 14.93 N ATOM 64 CA ARG A 8 25.119 25.095 6.061 1.00 15.96 C ATOM 65 C ARG A 8 25.518 26.497 6.526 1.00 15.97 C ATOM 66 O ARG A 8 26.514 26.660 7.225 1.00 14.55 O ATOM 67 CB ARG A 8 24.503 24.340 7.244 1.00 17.06 C ATOM 68 CG ARG A 8 24.029 22.945 6.944 1.00 18.49 C ATOM 69 CD ARG A 8 23.251 22.382 8.134 1.00 20.06 C ATOM 70 NE ARG A 8 22.480 21.195 7.765 1.00 20.66 N ATOM 71 CZ ARG A 8 21.552 20.632 8.535 1.00 21.17 C ATOM 72 NH1 ARG A 8 20.904 19.555 8.114 1.00 18.82 N ATOM 73 NH2 ARG A 8 21.263 21.151 9.723 1.00 21.71 N ATOM 0 H ARG A 8 26.531 23.714 6.035 1.00 14.93 H new ATOM 0 HA ARG A 8 24.468 25.121 5.342 1.00 15.96 H new ATOM 0 HB2 ARG A 8 25.160 24.296 7.957 1.00 17.06 H new ATOM 0 HB3 ARG A 8 23.753 24.854 7.581 1.00 17.06 H new ATOM 0 HG2 ARG A 8 23.465 22.951 6.155 1.00 18.49 H new ATOM 0 HG3 ARG A 8 24.788 22.374 6.746 1.00 18.49 H new ATOM 0 HD2 ARG A 8 23.869 22.158 8.848 1.00 20.06 H new ATOM 0 HD3 ARG A 8 22.652 23.062 8.480 1.00 20.06 H new ATOM 0 HE ARG A 8 22.637 20.837 6.999 1.00 20.66 H new ATOM 0 HH11 ARG A 8 21.083 19.219 7.343 1.00 18.82 H new ATOM 0 HH12 ARG A 8 20.304 19.192 8.612 1.00 18.82 H new ATOM 0 HH21 ARG A 8 21.676 21.854 9.997 1.00 21.71 H new ATOM 0 HH22 ARG A 8 20.663 20.784 10.218 1.00 21.71 H new ATOM 74 N PRO A 9 24.752 27.527 6.134 1.00 16.91 N ATOM 75 CA PRO A 9 25.109 28.885 6.570 1.00 16.14 C ATOM 76 C PRO A 9 24.663 29.128 8.015 1.00 17.21 C ATOM 77 O PRO A 9 23.546 29.582 8.266 1.00 16.32 O ATOM 78 CB PRO A 9 24.380 29.774 5.572 1.00 16.47 C ATOM 79 CG PRO A 9 23.153 28.971 5.222 1.00 17.55 C ATOM 80 CD PRO A 9 23.667 27.546 5.132 1.00 16.33 C ATOM 0 HA PRO A 9 26.064 29.056 6.578 1.00 16.14 H new ATOM 0 HB2 PRO A 9 24.147 30.632 5.960 1.00 16.47 H new ATOM 0 HB3 PRO A 9 24.924 29.955 4.790 1.00 16.47 H new ATOM 0 HG2 PRO A 9 22.465 29.059 5.900 1.00 17.55 H new ATOM 0 HG3 PRO A 9 22.764 29.263 4.383 1.00 17.55 H new ATOM 0 HD2 PRO A 9 22.974 26.899 5.339 1.00 16.33 H new ATOM 0 HD3 PRO A 9 23.994 27.337 4.243 1.00 16.33 H new ATOM 81 N LEU A 10 25.551 28.824 8.958 1.00 17.52 N ATOM 82 CA LEU A 10 25.242 28.969 10.381 1.00 17.92 C ATOM 83 C LEU A 10 25.821 30.218 11.013 1.00 17.57 C ATOM 84 O LEU A 10 26.995 30.544 10.818 1.00 18.73 O ATOM 85 CB LEU A 10 25.732 27.742 11.157 1.00 18.20 C ATOM 86 CG LEU A 10 25.117 26.419 10.701 1.00 19.10 C ATOM 87 CD1 LEU A 10 25.623 25.290 11.577 1.00 21.40 C ATOM 88 CD2 LEU A 10 23.596 26.513 10.778 1.00 22.36 C ATOM 0 H LEU A 10 26.343 28.530 8.795 1.00 17.52 H new ATOM 0 HA LEU A 10 24.277 29.049 10.433 1.00 17.92 H new ATOM 0 HB2 LEU A 10 26.697 27.684 11.073 1.00 18.20 H new ATOM 0 HB3 LEU A 10 25.537 27.869 12.099 1.00 18.20 H new ATOM 0 HG LEU A 10 25.375 26.238 9.784 1.00 19.10 H new ATOM 0 HD11 LEU A 10 25.231 24.452 11.285 1.00 21.40 H new ATOM 0 HD12 LEU A 10 26.589 25.235 11.509 1.00 21.40 H new ATOM 0 HD13 LEU A 10 25.374 25.459 12.499 1.00 21.40 H new ATOM 0 HD21 LEU A 10 23.205 25.674 10.489 1.00 22.36 H new ATOM 0 HD22 LEU A 10 23.329 26.696 11.692 1.00 22.36 H new ATOM 0 HD23 LEU A 10 23.286 27.229 10.202 1.00 22.36 H new ATOM 89 N VAL A 11 24.980 30.921 11.763 1.00 16.58 N ATOM 90 CA VAL A 11 25.402 32.128 12.449 1.00 18.14 C ATOM 91 C VAL A 11 24.983 32.075 13.902 1.00 19.16 C ATOM 92 O VAL A 11 24.197 31.214 14.322 1.00 18.63 O ATOM 93 CB VAL A 11 24.793 33.389 11.821 1.00 19.14 C ATOM 94 CG1 VAL A 11 25.252 33.514 10.374 1.00 21.47 C ATOM 95 CG2 VAL A 11 23.267 33.326 11.902 1.00 20.54 C ATOM 0 H VAL A 11 24.155 30.711 11.886 1.00 16.58 H new ATOM 0 HA VAL A 11 26.368 32.173 12.371 1.00 18.14 H new ATOM 0 HB VAL A 11 25.093 34.171 12.310 1.00 19.14 H new ATOM 0 HG11 VAL A 11 24.866 34.312 9.980 1.00 21.47 H new ATOM 0 HG12 VAL A 11 26.220 33.576 10.345 1.00 21.47 H new ATOM 0 HG13 VAL A 11 24.963 32.734 9.874 1.00 21.47 H new ATOM 0 HG21 VAL A 11 22.888 34.125 11.504 1.00 20.54 H new ATOM 0 HG22 VAL A 11 22.949 32.545 11.423 1.00 20.54 H new ATOM 0 HG23 VAL A 11 22.994 33.268 12.831 1.00 20.54 H new ATOM 96 N THR A 12 25.524 33.005 14.672 1.00 19.11 N ATOM 97 CA THR A 12 25.213 33.093 16.080 1.00 20.12 C ATOM 98 C THR A 12 24.270 34.267 16.200 1.00 20.66 C ATOM 99 O THR A 12 24.495 35.308 15.594 1.00 21.38 O ATOM 100 CB THR A 12 26.471 33.375 16.905 1.00 20.47 C ATOM 101 OG1 THR A 12 27.449 32.366 16.635 1.00 21.05 O ATOM 102 CG2 THR A 12 26.143 33.382 18.396 1.00 20.81 C ATOM 0 H THR A 12 26.079 33.599 14.392 1.00 19.11 H new ATOM 0 HA THR A 12 24.833 32.263 16.408 1.00 20.12 H new ATOM 0 HB THR A 12 26.819 34.247 16.660 1.00 20.47 H new ATOM 0 HG1 THR A 12 28.141 32.519 17.085 1.00 21.05 H new ATOM 0 HG21 THR A 12 26.949 33.562 18.904 1.00 20.81 H new ATOM 0 HG22 THR A 12 25.485 34.071 18.580 1.00 20.81 H new ATOM 0 HG23 THR A 12 25.785 32.518 18.653 1.00 20.81 H new ATOM 103 N ILE A 13 23.200 34.090 16.959 1.00 20.67 N ATOM 104 CA ILE A 13 22.242 35.160 17.150 1.00 21.20 C ATOM 105 C ILE A 13 22.097 35.383 18.646 1.00 20.83 C ATOM 106 O ILE A 13 22.464 34.529 19.446 1.00 21.70 O ATOM 107 CB ILE A 13 20.854 34.803 16.562 1.00 21.91 C ATOM 108 CG1 ILE A 13 20.231 33.650 17.354 1.00 22.94 C ATOM 109 CG2 ILE A 13 20.992 34.429 15.073 1.00 22.33 C ATOM 110 CD1 ILE A 13 18.771 33.375 17.008 1.00 22.41 C ATOM 0 H ILE A 13 23.012 33.359 17.371 1.00 20.67 H new ATOM 0 HA ILE A 13 22.561 35.954 16.693 1.00 21.20 H new ATOM 0 HB ILE A 13 20.270 35.575 16.632 1.00 21.91 H new ATOM 0 HG12 ILE A 13 20.748 32.845 17.196 1.00 22.94 H new ATOM 0 HG13 ILE A 13 20.297 33.848 18.301 1.00 22.94 H new ATOM 0 HG21 ILE A 13 20.119 34.207 14.713 1.00 22.33 H new ATOM 0 HG22 ILE A 13 21.362 35.180 14.583 1.00 22.33 H new ATOM 0 HG23 ILE A 13 21.582 33.664 14.985 1.00 22.33 H new ATOM 0 HD11 ILE A 13 18.445 32.636 17.545 1.00 22.41 H new ATOM 0 HD12 ILE A 13 18.240 34.166 17.191 1.00 22.41 H new ATOM 0 HD13 ILE A 13 18.698 33.147 16.068 1.00 22.41 H new ATOM 111 N LYS A 14 21.573 36.538 19.021 1.00 21.16 N ATOM 112 CA LYS A 14 21.366 36.846 20.424 1.00 20.83 C ATOM 113 C LYS A 14 19.888 37.166 20.575 1.00 20.74 C ATOM 114 O LYS A 14 19.380 38.093 19.949 1.00 20.99 O ATOM 115 CB LYS A 14 22.217 38.046 20.835 1.00 21.80 C ATOM 116 CG LYS A 14 22.271 38.302 22.334 1.00 25.18 C ATOM 117 CD LYS A 14 23.162 39.506 22.638 1.00 27.73 C ATOM 118 CE LYS A 14 23.497 39.607 24.118 1.00 30.76 C ATOM 119 NZ LYS A 14 22.292 39.795 24.976 1.00 32.72 N ATOM 0 H LYS A 14 21.330 37.158 18.477 1.00 21.16 H new ATOM 0 HA LYS A 14 21.625 36.103 20.991 1.00 20.83 H new ATOM 0 HB2 LYS A 14 23.121 37.913 20.509 1.00 21.80 H new ATOM 0 HB3 LYS A 14 21.871 38.839 20.396 1.00 21.80 H new ATOM 0 HG2 LYS A 14 21.376 38.461 22.673 1.00 25.18 H new ATOM 0 HG3 LYS A 14 22.612 37.517 22.790 1.00 25.18 H new ATOM 0 HD2 LYS A 14 23.983 39.438 22.125 1.00 27.73 H new ATOM 0 HD3 LYS A 14 22.716 40.318 22.352 1.00 27.73 H new ATOM 0 HE2 LYS A 14 23.963 38.802 24.395 1.00 30.76 H new ATOM 0 HE3 LYS A 14 24.106 40.349 24.257 1.00 30.76 H new ATOM 0 HZ1 LYS A 14 22.540 39.848 25.829 1.00 32.72 H new ATOM 0 HZ2 LYS A 14 21.874 40.545 24.742 1.00 32.72 H new ATOM 0 HZ3 LYS A 14 21.741 39.104 24.870 1.00 32.72 H new ATOM 120 N ILE A 15 19.195 36.381 21.389 1.00 20.45 N ATOM 121 CA ILE A 15 17.772 36.592 21.608 1.00 22.44 C ATOM 122 C ILE A 15 17.416 36.308 23.062 1.00 24.52 C ATOM 123 O ILE A 15 17.845 35.299 23.630 1.00 24.61 O ATOM 124 CB ILE A 15 16.935 35.682 20.678 1.00 20.83 C ATOM 125 CG1 ILE A 15 15.444 35.874 20.956 1.00 20.33 C ATOM 126 CG2 ILE A 15 17.356 34.231 20.855 1.00 20.41 C ATOM 127 CD1 ILE A 15 14.541 35.118 19.990 1.00 19.37 C ATOM 0 H ILE A 15 19.531 35.720 21.825 1.00 20.45 H new ATOM 0 HA ILE A 15 17.567 37.518 21.404 1.00 22.44 H new ATOM 0 HB ILE A 15 17.097 35.929 19.754 1.00 20.83 H new ATOM 0 HG12 ILE A 15 15.252 35.584 21.861 1.00 20.33 H new ATOM 0 HG13 ILE A 15 15.233 36.820 20.911 1.00 20.33 H new ATOM 0 HG21 ILE A 15 16.827 33.667 20.269 1.00 20.41 H new ATOM 0 HG22 ILE A 15 18.295 34.137 20.633 1.00 20.41 H new ATOM 0 HG23 ILE A 15 17.214 33.963 21.776 1.00 20.41 H new ATOM 0 HD11 ILE A 15 13.613 35.281 20.220 1.00 19.37 H new ATOM 0 HD12 ILE A 15 14.708 35.423 19.085 1.00 19.37 H new ATOM 0 HD13 ILE A 15 14.726 34.168 20.050 1.00 19.37 H new ATOM 128 N GLY A 16 16.639 37.208 23.660 1.00 25.95 N ATOM 129 CA GLY A 16 16.241 37.046 25.047 1.00 27.52 C ATOM 130 C GLY A 16 17.423 36.765 25.954 1.00 28.71 C ATOM 131 O GLY A 16 17.350 35.913 26.838 1.00 29.82 O ATOM 0 H GLY A 16 16.334 37.916 23.278 1.00 25.95 H new ATOM 0 HA2 GLY A 16 15.789 37.850 25.348 1.00 27.52 H new ATOM 0 HA3 GLY A 16 15.603 36.319 25.116 1.00 27.52 H new ATOM 132 N GLY A 17 18.521 37.479 25.731 1.00 29.11 N ATOM 133 CA GLY A 17 19.703 37.284 26.547 1.00 28.11 C ATOM 134 C GLY A 17 20.378 35.939 26.339 1.00 28.19 C ATOM 135 O GLY A 17 21.222 35.540 27.138 1.00 28.66 O ATOM 0 H GLY A 17 18.598 38.076 25.117 1.00 29.11 H new ATOM 0 HA2 GLY A 17 20.340 37.989 26.352 1.00 28.11 H new ATOM 0 HA3 GLY A 17 19.459 37.372 27.482 1.00 28.11 H new ATOM 136 N GLN A 18 20.017 35.237 25.269 1.00 27.20 N ATOM 137 CA GLN A 18 20.616 33.935 24.989 1.00 26.57 C ATOM 138 C GLN A 18 21.352 33.906 23.650 1.00 25.69 C ATOM 139 O GLN A 18 20.887 34.468 22.663 1.00 25.28 O ATOM 140 CB GLN A 18 19.544 32.839 24.982 1.00 27.45 C ATOM 141 CG GLN A 18 18.813 32.645 26.297 1.00 29.90 C ATOM 142 CD GLN A 18 17.734 31.581 26.207 1.00 30.59 C ATOM 143 OE1 GLN A 18 18.017 30.408 25.957 1.00 32.28 O ATOM 144 NE2 GLN A 18 16.487 31.988 26.405 1.00 31.52 N ATOM 0 H GLN A 18 19.430 35.494 24.695 1.00 27.20 H new ATOM 0 HA GLN A 18 21.260 33.773 25.696 1.00 26.57 H new ATOM 0 HB2 GLN A 18 18.893 33.047 24.294 1.00 27.45 H new ATOM 0 HB3 GLN A 18 19.961 31.999 24.733 1.00 27.45 H new ATOM 0 HG2 GLN A 18 19.450 32.398 26.985 1.00 29.90 H new ATOM 0 HG3 GLN A 18 18.413 33.486 26.569 1.00 29.90 H new ATOM 0 HE21 GLN A 18 16.327 32.815 26.577 1.00 31.52 H new ATOM 0 HE22 GLN A 18 15.839 31.425 26.361 1.00 31.52 H new ATOM 145 N LEU A 19 22.505 33.250 23.627 1.00 24.57 N ATOM 146 CA LEU A 19 23.277 33.116 22.401 1.00 25.12 C ATOM 147 C LEU A 19 22.980 31.744 21.819 1.00 24.82 C ATOM 148 O LEU A 19 23.159 30.730 22.496 1.00 24.47 O ATOM 149 CB LEU A 19 24.772 33.242 22.678 1.00 25.86 C ATOM 150 CG LEU A 19 25.293 34.657 22.916 1.00 27.61 C ATOM 151 CD1 LEU A 19 26.786 34.600 23.200 1.00 28.84 C ATOM 152 CD2 LEU A 19 25.009 35.521 21.690 1.00 27.62 C ATOM 0 H LEU A 19 22.859 32.874 24.315 1.00 24.57 H new ATOM 0 HA LEU A 19 23.031 33.820 21.781 1.00 25.12 H new ATOM 0 HB2 LEU A 19 24.985 32.703 23.456 1.00 25.86 H new ATOM 0 HB3 LEU A 19 25.255 32.861 21.928 1.00 25.86 H new ATOM 0 HG LEU A 19 24.844 35.051 23.680 1.00 27.61 H new ATOM 0 HD11 LEU A 19 27.121 35.497 23.352 1.00 28.84 H new ATOM 0 HD12 LEU A 19 26.945 34.058 23.989 1.00 28.84 H new ATOM 0 HD13 LEU A 19 27.245 34.208 22.441 1.00 28.84 H new ATOM 0 HD21 LEU A 19 25.341 36.420 21.843 1.00 27.62 H new ATOM 0 HD22 LEU A 19 25.453 35.141 20.916 1.00 27.62 H new ATOM 0 HD23 LEU A 19 24.053 35.553 21.531 1.00 27.62 H new ATOM 153 N LYS A 20 22.524 31.721 20.568 1.00 23.91 N ATOM 154 CA LYS A 20 22.181 30.477 19.887 1.00 23.24 C ATOM 155 C LYS A 20 22.776 30.384 18.487 1.00 22.86 C ATOM 156 O LYS A 20 23.070 31.394 17.852 1.00 23.66 O ATOM 157 CB LYS A 20 20.660 30.340 19.761 1.00 22.23 C ATOM 158 CG LYS A 20 19.898 30.174 21.067 1.00 24.01 C ATOM 159 CD LYS A 20 18.424 29.936 20.780 1.00 24.50 C ATOM 160 CE LYS A 20 17.681 29.406 22.001 1.00 25.49 C ATOM 161 NZ LYS A 20 17.615 30.414 23.083 1.00 27.77 N ATOM 0 H LYS A 20 22.405 32.427 20.091 1.00 23.91 H new ATOM 0 HA LYS A 20 22.554 29.764 20.429 1.00 23.24 H new ATOM 0 HB2 LYS A 20 20.319 31.125 19.305 1.00 22.23 H new ATOM 0 HB3 LYS A 20 20.467 29.576 19.195 1.00 22.23 H new ATOM 0 HG2 LYS A 20 20.262 29.429 21.570 1.00 24.01 H new ATOM 0 HG3 LYS A 20 20.005 30.967 21.616 1.00 24.01 H new ATOM 0 HD2 LYS A 20 18.014 30.765 20.488 1.00 24.50 H new ATOM 0 HD3 LYS A 20 18.336 29.304 20.050 1.00 24.50 H new ATOM 0 HE2 LYS A 20 16.782 29.146 21.745 1.00 25.49 H new ATOM 0 HE3 LYS A 20 18.125 28.608 22.329 1.00 25.49 H new ATOM 0 HZ1 LYS A 20 18.200 30.204 23.720 1.00 27.77 H new ATOM 0 HZ2 LYS A 20 17.811 31.217 22.753 1.00 27.77 H new ATOM 0 HZ3 LYS A 20 16.794 30.428 23.427 1.00 27.77 H new ATOM 162 N GLU A 21 22.945 29.159 18.005 1.00 21.31 N ATOM 163 CA GLU A 21 23.457 28.950 16.660 1.00 21.34 C ATOM 164 C GLU A 21 22.204 28.777 15.807 1.00 19.92 C ATOM 165 O GLU A 21 21.230 28.171 16.255 1.00 20.38 O ATOM 166 CB GLU A 21 24.319 27.691 16.605 1.00 22.00 C ATOM 167 CG GLU A 21 25.000 27.473 15.269 1.00 24.00 C ATOM 168 CD GLU A 21 25.900 26.256 15.274 1.00 25.62 C ATOM 169 OE1 GLU A 21 25.398 25.143 15.535 1.00 25.67 O ATOM 170 OE2 GLU A 21 27.111 26.416 15.014 1.00 27.41 O ATOM 0 H GLU A 21 22.770 28.438 18.440 1.00 21.31 H new ATOM 0 HA GLU A 21 24.017 29.681 16.356 1.00 21.34 H new ATOM 0 HB2 GLU A 21 24.995 27.742 17.299 1.00 22.00 H new ATOM 0 HB3 GLU A 21 23.765 26.921 16.805 1.00 22.00 H new ATOM 0 HG2 GLU A 21 24.327 27.372 14.578 1.00 24.00 H new ATOM 0 HG3 GLU A 21 25.523 28.258 15.043 1.00 24.00 H new ATOM 171 N ALA A 22 22.206 29.316 14.593 1.00 18.20 N ATOM 172 CA ALA A 22 21.023 29.193 13.754 1.00 16.30 C ATOM 173 C ALA A 22 21.351 29.121 12.272 1.00 16.54 C ATOM 174 O ALA A 22 22.408 29.575 11.833 1.00 16.41 O ATOM 175 CB ALA A 22 20.078 30.351 14.031 1.00 16.34 C ATOM 0 H ALA A 22 22.864 29.746 14.244 1.00 18.20 H new ATOM 0 HA ALA A 22 20.595 28.353 13.982 1.00 16.30 H new ATOM 0 HB1 ALA A 22 19.290 30.267 13.471 1.00 16.34 H new ATOM 0 HB2 ALA A 22 19.814 30.337 14.964 1.00 16.34 H new ATOM 0 HB3 ALA A 22 20.526 31.189 13.835 1.00 16.34 H new ATOM 176 N LEU A 23 20.420 28.555 11.511 1.00 15.48 N ATOM 177 CA LEU A 23 20.562 28.368 10.070 1.00 16.01 C ATOM 178 C LEU A 23 19.851 29.451 9.270 1.00 14.43 C ATOM 179 O LEU A 23 18.646 29.627 9.410 1.00 13.70 O ATOM 180 CB LEU A 23 19.994 26.991 9.697 1.00 15.74 C ATOM 181 CG LEU A 23 19.902 26.521 8.245 1.00 17.93 C ATOM 182 CD1 LEU A 23 21.290 26.442 7.607 1.00 17.73 C ATOM 183 CD2 LEU A 23 19.253 25.144 8.230 1.00 16.50 C ATOM 0 H LEU A 23 19.674 28.263 11.823 1.00 15.48 H new ATOM 0 HA LEU A 23 21.505 28.426 9.849 1.00 16.01 H new ATOM 0 HB2 LEU A 23 20.524 26.332 10.172 1.00 15.74 H new ATOM 0 HB3 LEU A 23 19.096 26.950 10.062 1.00 15.74 H new ATOM 0 HG LEU A 23 19.374 27.154 7.735 1.00 17.93 H new ATOM 0 HD11 LEU A 23 21.207 26.142 6.688 1.00 17.73 H new ATOM 0 HD12 LEU A 23 21.705 27.319 7.625 1.00 17.73 H new ATOM 0 HD13 LEU A 23 21.839 25.815 8.103 1.00 17.73 H new ATOM 0 HD21 LEU A 23 19.186 24.828 7.315 1.00 16.50 H new ATOM 0 HD22 LEU A 23 19.793 24.526 8.746 1.00 16.50 H new ATOM 0 HD23 LEU A 23 18.366 25.200 8.619 1.00 16.50 H new ATOM 184 N LEU A 24 20.595 30.181 8.441 1.00 13.90 N ATOM 185 CA LEU A 24 19.985 31.220 7.611 1.00 14.99 C ATOM 186 C LEU A 24 19.279 30.451 6.506 1.00 13.81 C ATOM 187 O LEU A 24 19.923 29.864 5.639 1.00 14.39 O ATOM 188 CB LEU A 24 21.051 32.140 7.017 1.00 14.91 C ATOM 189 CG LEU A 24 21.963 32.821 8.045 1.00 16.55 C ATOM 190 CD1 LEU A 24 23.102 33.534 7.316 1.00 15.17 C ATOM 191 CD2 LEU A 24 21.145 33.802 8.901 1.00 15.25 C ATOM 0 H LEU A 24 21.445 30.093 8.344 1.00 13.90 H new ATOM 0 HA LEU A 24 19.384 31.788 8.118 1.00 14.99 H new ATOM 0 HB2 LEU A 24 21.602 31.624 6.408 1.00 14.91 H new ATOM 0 HB3 LEU A 24 20.611 32.825 6.490 1.00 14.91 H new ATOM 0 HG LEU A 24 22.347 32.157 8.639 1.00 16.55 H new ATOM 0 HD11 LEU A 24 23.681 33.966 7.964 1.00 15.17 H new ATOM 0 HD12 LEU A 24 23.614 32.888 6.805 1.00 15.17 H new ATOM 0 HD13 LEU A 24 22.735 34.201 6.716 1.00 15.17 H new ATOM 0 HD21 LEU A 24 21.727 34.229 9.549 1.00 15.25 H new ATOM 0 HD22 LEU A 24 20.748 34.477 8.329 1.00 15.25 H new ATOM 0 HD23 LEU A 24 20.444 33.319 9.366 1.00 15.25 H new ATOM 192 N ASP A 25 17.956 30.459 6.541 1.00 14.74 N ATOM 193 CA ASP A 25 17.179 29.695 5.577 1.00 14.26 C ATOM 194 C ASP A 25 16.243 30.491 4.683 1.00 12.20 C ATOM 195 O ASP A 25 15.180 30.926 5.120 1.00 13.56 O ATOM 196 CB ASP A 25 16.392 28.636 6.336 1.00 14.79 C ATOM 197 CG ASP A 25 15.674 27.686 5.429 1.00 16.09 C ATOM 198 OD1 ASP A 25 15.891 27.743 4.200 1.00 18.46 O ATOM 199 OD2 ASP A 25 14.895 26.871 5.957 1.00 16.87 O ATOM 0 H ASP A 25 17.488 30.899 7.113 1.00 14.74 H new ATOM 0 HA ASP A 25 17.824 29.315 4.960 1.00 14.26 H new ATOM 0 HB2 ASP A 25 16.997 28.137 6.907 1.00 14.79 H new ATOM 0 HB3 ASP A 25 15.748 29.071 6.916 1.00 14.79 H new ATOM 200 N THR A 26 16.636 30.663 3.420 1.00 10.62 N ATOM 201 CA THR A 26 15.816 31.402 2.474 1.00 9.74 C ATOM 202 C THR A 26 14.552 30.619 2.141 1.00 8.95 C ATOM 203 O THR A 26 13.645 31.157 1.533 1.00 8.61 O ATOM 204 CB THR A 26 16.552 31.666 1.148 1.00 9.78 C ATOM 205 OG1 THR A 26 17.037 30.423 0.614 1.00 8.32 O ATOM 206 CG2 THR A 26 17.703 32.632 1.361 1.00 10.87 C ATOM 0 H THR A 26 17.372 30.359 3.096 1.00 10.62 H new ATOM 0 HA THR A 26 15.605 32.247 2.900 1.00 9.74 H new ATOM 0 HB THR A 26 15.934 32.066 0.517 1.00 9.78 H new ATOM 0 HG1 THR A 26 16.563 30.195 -0.041 1.00 8.32 H new ATOM 0 HG21 THR A 26 18.156 32.787 0.517 1.00 10.87 H new ATOM 0 HG22 THR A 26 17.361 33.473 1.704 1.00 10.87 H new ATOM 0 HG23 THR A 26 18.329 32.254 1.998 1.00 10.87 H new ATOM 207 N GLY A 27 14.515 29.347 2.530 1.00 10.58 N ATOM 208 CA GLY A 27 13.357 28.504 2.257 1.00 11.05 C ATOM 209 C GLY A 27 12.308 28.519 3.355 1.00 12.45 C ATOM 210 O GLY A 27 11.258 27.879 3.238 1.00 12.91 O ATOM 0 H GLY A 27 15.152 28.954 2.954 1.00 10.58 H new ATOM 0 HA2 GLY A 27 12.947 28.793 1.427 1.00 11.05 H new ATOM 0 HA3 GLY A 27 13.658 27.592 2.122 1.00 11.05 H new ATOM 211 N ALA A 28 12.594 29.246 4.432 1.00 12.33 N ATOM 212 CA ALA A 28 11.668 29.353 5.543 1.00 11.71 C ATOM 213 C ALA A 28 10.995 30.720 5.594 1.00 11.33 C ATOM 214 O ALA A 28 11.663 31.754 5.648 1.00 9.64 O ATOM 215 CB ALA A 28 12.396 29.092 6.854 1.00 11.43 C ATOM 0 H ALA A 28 13.326 29.686 4.535 1.00 12.33 H new ATOM 0 HA ALA A 28 10.976 28.686 5.411 1.00 11.71 H new ATOM 0 HB1 ALA A 28 11.771 29.165 7.592 1.00 11.43 H new ATOM 0 HB2 ALA A 28 12.777 28.200 6.841 1.00 11.43 H new ATOM 0 HB3 ALA A 28 13.105 29.744 6.966 1.00 11.43 H new ATOM 216 N ASP A 29 9.666 30.709 5.574 1.00 11.32 N ATOM 217 CA ASP A 29 8.879 31.925 5.650 1.00 12.94 C ATOM 218 C ASP A 29 9.105 32.565 7.020 1.00 14.43 C ATOM 219 O ASP A 29 9.208 33.789 7.149 1.00 14.62 O ATOM 220 CB ASP A 29 7.384 31.609 5.501 1.00 13.43 C ATOM 221 CG ASP A 29 7.047 30.948 4.167 1.00 16.43 C ATOM 222 OD1 ASP A 29 7.594 31.373 3.135 1.00 12.90 O ATOM 223 OD2 ASP A 29 6.222 30.010 4.156 1.00 19.72 O ATOM 0 H ASP A 29 9.197 29.991 5.516 1.00 11.32 H new ATOM 0 HA ASP A 29 9.150 32.523 4.936 1.00 12.94 H new ATOM 0 HB2 ASP A 29 7.108 31.025 6.225 1.00 13.43 H new ATOM 0 HB3 ASP A 29 6.874 32.430 5.588 1.00 13.43 H new ATOM 224 N ASP A 30 9.182 31.729 8.047 1.00 13.64 N ATOM 225 CA ASP A 30 9.352 32.234 9.403 1.00 14.21 C ATOM 226 C ASP A 30 10.572 31.777 10.156 1.00 14.52 C ATOM 227 O ASP A 30 11.253 30.830 9.774 1.00 15.49 O ATOM 228 CB ASP A 30 8.129 31.886 10.235 1.00 14.41 C ATOM 229 CG ASP A 30 6.914 32.652 9.809 1.00 17.77 C ATOM 230 OD1 ASP A 30 6.880 33.885 10.025 1.00 20.69 O ATOM 231 OD2 ASP A 30 5.992 32.022 9.257 1.00 21.56 O ATOM 0 H ASP A 30 9.139 30.873 7.982 1.00 13.64 H new ATOM 0 HA ASP A 30 9.472 33.188 9.276 1.00 14.21 H new ATOM 0 HB2 ASP A 30 7.951 30.935 10.163 1.00 14.41 H new ATOM 0 HB3 ASP A 30 8.313 32.070 11.169 1.00 14.41 H new ATOM 232 N THR A 31 10.838 32.483 11.245 1.00 15.10 N ATOM 233 CA THR A 31 11.942 32.164 12.111 1.00 14.93 C ATOM 234 C THR A 31 11.342 31.247 13.154 1.00 14.86 C ATOM 235 O THR A 31 10.353 31.582 13.787 1.00 14.86 O ATOM 236 CB THR A 31 12.516 33.441 12.767 1.00 15.08 C ATOM 237 OG1 THR A 31 13.332 34.117 11.808 1.00 13.98 O ATOM 238 CG2 THR A 31 13.362 33.107 14.018 1.00 10.61 C ATOM 0 H THR A 31 10.376 33.163 11.498 1.00 15.10 H new ATOM 0 HA THR A 31 12.680 31.753 11.634 1.00 14.93 H new ATOM 0 HB THR A 31 11.778 34.003 13.050 1.00 15.08 H new ATOM 0 HG1 THR A 31 12.843 34.543 11.275 1.00 13.98 H new ATOM 0 HG21 THR A 31 13.706 33.927 14.404 1.00 10.61 H new ATOM 0 HG22 THR A 31 12.809 32.650 14.671 1.00 10.61 H new ATOM 0 HG23 THR A 31 14.102 32.534 13.765 1.00 10.61 H new ATOM 239 N VAL A 32 11.919 30.065 13.297 1.00 16.57 N ATOM 240 CA VAL A 32 11.436 29.109 14.277 1.00 16.26 C ATOM 241 C VAL A 32 12.635 28.568 15.043 1.00 16.27 C ATOM 242 O VAL A 32 13.594 28.072 14.452 1.00 15.14 O ATOM 243 CB VAL A 32 10.630 27.962 13.594 1.00 16.15 C ATOM 244 CG1 VAL A 32 11.156 27.706 12.199 1.00 17.53 C ATOM 245 CG2 VAL A 32 10.683 26.708 14.425 1.00 13.34 C ATOM 0 H VAL A 32 12.593 29.797 12.835 1.00 16.57 H new ATOM 0 HA VAL A 32 10.827 29.546 14.893 1.00 16.26 H new ATOM 0 HB VAL A 32 9.702 28.237 13.524 1.00 16.15 H new ATOM 0 HG11 VAL A 32 10.646 26.991 11.787 1.00 17.53 H new ATOM 0 HG12 VAL A 32 11.069 28.513 11.667 1.00 17.53 H new ATOM 0 HG13 VAL A 32 12.090 27.450 12.247 1.00 17.53 H new ATOM 0 HG21 VAL A 32 10.177 26.007 13.985 1.00 13.34 H new ATOM 0 HG22 VAL A 32 11.605 26.426 14.527 1.00 13.34 H new ATOM 0 HG23 VAL A 32 10.301 26.882 15.299 1.00 13.34 H new ATOM 246 N LEU A 33 12.556 28.675 16.367 1.00 14.64 N ATOM 247 CA LEU A 33 13.625 28.258 17.262 1.00 15.08 C ATOM 248 C LEU A 33 13.186 27.154 18.228 1.00 16.10 C ATOM 249 O LEU A 33 12.005 27.028 18.544 1.00 15.64 O ATOM 250 CB LEU A 33 14.092 29.474 18.067 1.00 13.99 C ATOM 251 CG LEU A 33 14.460 30.731 17.274 1.00 14.37 C ATOM 252 CD1 LEU A 33 14.598 31.932 18.217 1.00 17.75 C ATOM 253 CD2 LEU A 33 15.748 30.496 16.526 1.00 12.15 C ATOM 0 H LEU A 33 11.870 28.996 16.774 1.00 14.64 H new ATOM 0 HA LEU A 33 14.343 27.897 16.719 1.00 15.08 H new ATOM 0 HB2 LEU A 33 13.390 29.708 18.695 1.00 13.99 H new ATOM 0 HB3 LEU A 33 14.865 29.211 18.591 1.00 13.99 H new ATOM 0 HG LEU A 33 13.755 30.925 16.636 1.00 14.37 H new ATOM 0 HD11 LEU A 33 14.831 32.721 17.704 1.00 17.75 H new ATOM 0 HD12 LEU A 33 13.757 32.082 18.676 1.00 17.75 H new ATOM 0 HD13 LEU A 33 15.294 31.754 18.869 1.00 17.75 H new ATOM 0 HD21 LEU A 33 15.981 31.293 16.024 1.00 12.15 H new ATOM 0 HD22 LEU A 33 16.456 30.294 17.157 1.00 12.15 H new ATOM 0 HD23 LEU A 33 15.637 29.751 15.916 1.00 12.15 H new ATOM 254 N GLU A 34 14.146 26.365 18.698 1.00 16.89 N ATOM 255 CA GLU A 34 13.861 25.295 19.644 1.00 17.27 C ATOM 256 C GLU A 34 13.226 25.884 20.899 1.00 15.05 C ATOM 257 O GLU A 34 13.329 27.090 21.145 1.00 12.35 O ATOM 258 CB GLU A 34 15.145 24.567 20.029 1.00 20.59 C ATOM 259 CG GLU A 34 15.805 23.812 18.903 1.00 27.59 C ATOM 260 CD GLU A 34 17.002 23.026 19.386 1.00 31.56 C ATOM 261 OE1 GLU A 34 17.940 23.650 19.934 1.00 34.79 O ATOM 262 OE2 GLU A 34 17.004 21.787 19.228 1.00 34.29 O ATOM 0 H GLU A 34 14.975 26.434 18.479 1.00 16.89 H new ATOM 0 HA GLU A 34 13.253 24.665 19.227 1.00 17.27 H new ATOM 0 HB2 GLU A 34 15.776 25.214 20.381 1.00 20.59 H new ATOM 0 HB3 GLU A 34 14.947 23.945 20.746 1.00 20.59 H new ATOM 0 HG2 GLU A 34 15.163 23.208 18.497 1.00 27.59 H new ATOM 0 HG3 GLU A 34 16.083 24.435 18.214 1.00 27.59 H new ATOM 263 N GLU A 35 12.587 25.029 21.691 1.00 14.82 N ATOM 264 CA GLU A 35 11.917 25.462 22.916 1.00 17.07 C ATOM 265 C GLU A 35 12.710 26.456 23.741 1.00 16.86 C ATOM 266 O GLU A 35 13.852 26.208 24.105 1.00 17.50 O ATOM 267 CB GLU A 35 11.563 24.264 23.797 1.00 15.66 C ATOM 268 CG GLU A 35 10.274 23.567 23.417 1.00 16.91 C ATOM 269 CD GLU A 35 9.077 24.492 23.472 1.00 17.71 C ATOM 270 OE1 GLU A 35 9.164 25.550 24.130 1.00 18.00 O ATOM 271 OE2 GLU A 35 8.041 24.158 22.864 1.00 23.11 O ATOM 0 H GLU A 35 12.529 24.185 21.536 1.00 14.82 H new ATOM 0 HA GLU A 35 11.115 25.916 22.614 1.00 17.07 H new ATOM 0 HB2 GLU A 35 12.289 23.622 23.758 1.00 15.66 H new ATOM 0 HB3 GLU A 35 11.497 24.562 24.718 1.00 15.66 H new ATOM 0 HG2 GLU A 35 10.358 23.204 22.521 1.00 16.91 H new ATOM 0 HG3 GLU A 35 10.127 22.817 24.014 1.00 16.91 H new ATOM 272 N MET A 36 12.089 27.594 24.013 1.00 18.50 N ATOM 273 CA MET A 36 12.705 28.634 24.814 1.00 20.93 C ATOM 274 C MET A 36 11.601 29.546 25.317 1.00 22.27 C ATOM 275 O MET A 36 10.474 29.515 24.815 1.00 21.80 O ATOM 276 CB MET A 36 13.705 29.445 23.987 1.00 20.79 C ATOM 277 CG MET A 36 13.073 30.426 23.008 1.00 20.55 C ATOM 278 SD MET A 36 14.328 31.371 22.112 1.00 21.03 S ATOM 279 CE MET A 36 14.824 32.556 23.352 1.00 22.40 C ATOM 0 H MET A 36 11.297 27.784 23.737 1.00 18.50 H new ATOM 0 HA MET A 36 13.189 28.233 25.553 1.00 20.93 H new ATOM 0 HB2 MET A 36 14.282 29.937 24.592 1.00 20.79 H new ATOM 0 HB3 MET A 36 14.270 28.831 23.492 1.00 20.79 H new ATOM 0 HG2 MET A 36 12.518 29.942 22.376 1.00 20.55 H new ATOM 0 HG3 MET A 36 12.490 31.034 23.489 1.00 20.55 H new ATOM 0 HE1 MET A 36 14.910 33.433 22.946 1.00 22.40 H new ATOM 0 HE2 MET A 36 14.155 32.589 24.054 1.00 22.40 H new ATOM 0 HE3 MET A 36 15.677 32.290 23.731 1.00 22.40 H new ATOM 280 N SER A 37 11.921 30.357 26.313 1.00 23.45 N ATOM 281 CA SER A 37 10.937 31.272 26.852 1.00 25.17 C ATOM 282 C SER A 37 11.066 32.635 26.181 1.00 23.66 C ATOM 283 O SER A 37 12.168 33.076 25.856 1.00 22.65 O ATOM 284 CB SER A 37 11.184 31.413 28.347 1.00 27.13 C ATOM 285 OG SER A 37 10.276 32.385 28.882 1.00 20.00 O ATOM 0 H SER A 37 12.695 30.392 26.686 1.00 23.45 H new ATOM 0 HA SER A 37 10.044 30.930 26.688 1.00 25.17 H new ATOM 0 HB2 SER A 37 11.059 30.559 28.789 1.00 27.13 H new ATOM 0 HB3 SER A 37 12.101 31.685 28.511 1.00 27.13 H new ATOM 0 HG SER A 37 10.407 32.466 29.708 1.00 20.00 H new ATOM 286 N LEU A 38 9.928 33.285 25.959 1.00 22.48 N ATOM 287 CA LEU A 38 9.896 34.605 25.344 1.00 21.74 C ATOM 288 C LEU A 38 8.823 35.446 26.012 1.00 22.27 C ATOM 289 O LEU A 38 7.764 34.942 26.376 1.00 23.02 O ATOM 290 CB LEU A 38 9.617 34.508 23.839 1.00 21.83 C ATOM 291 CG LEU A 38 10.771 33.995 22.972 1.00 22.72 C ATOM 292 CD1 LEU A 38 10.399 34.083 21.491 1.00 20.41 C ATOM 293 CD2 LEU A 38 12.015 34.824 23.258 1.00 22.34 C ATOM 0 H LEU A 38 9.153 32.972 26.161 1.00 22.48 H new ATOM 0 HA LEU A 38 10.764 35.021 25.463 1.00 21.74 H new ATOM 0 HB2 LEU A 38 8.853 33.925 23.707 1.00 21.83 H new ATOM 0 HB3 LEU A 38 9.362 35.387 23.518 1.00 21.83 H new ATOM 0 HG LEU A 38 10.949 33.065 23.185 1.00 22.72 H new ATOM 0 HD11 LEU A 38 11.136 33.756 20.952 1.00 20.41 H new ATOM 0 HD12 LEU A 38 9.611 33.543 21.322 1.00 20.41 H new ATOM 0 HD13 LEU A 38 10.213 35.006 21.258 1.00 20.41 H new ATOM 0 HD21 LEU A 38 12.750 34.504 22.712 1.00 22.34 H new ATOM 0 HD22 LEU A 38 11.839 35.755 23.049 1.00 22.34 H new ATOM 0 HD23 LEU A 38 12.250 34.742 24.196 1.00 22.34 H new ATOM 294 N PRO A 39 9.088 36.746 26.184 1.00 23.54 N ATOM 295 CA PRO A 39 8.135 37.658 26.815 1.00 24.59 C ATOM 296 C PRO A 39 6.958 37.977 25.905 1.00 25.64 C ATOM 297 O PRO A 39 7.053 37.850 24.684 1.00 25.96 O ATOM 298 CB PRO A 39 8.986 38.885 27.099 1.00 25.03 C ATOM 299 CG PRO A 39 9.902 38.908 25.908 1.00 25.56 C ATOM 300 CD PRO A 39 10.318 37.460 25.796 1.00 23.61 C ATOM 0 HA PRO A 39 7.722 37.287 27.610 1.00 24.59 H new ATOM 0 HB2 PRO A 39 8.451 39.692 27.162 1.00 25.03 H new ATOM 0 HB3 PRO A 39 9.475 38.803 27.933 1.00 25.03 H new ATOM 0 HG2 PRO A 39 9.449 39.217 25.108 1.00 25.56 H new ATOM 0 HG3 PRO A 39 10.663 39.494 26.047 1.00 25.56 H new ATOM 0 HD2 PRO A 39 10.599 37.233 24.896 1.00 23.61 H new ATOM 0 HD3 PRO A 39 11.059 37.250 26.386 1.00 23.61 H new ATOM 301 N GLY A 40 5.850 38.389 26.511 1.00 25.97 N ATOM 302 CA GLY A 40 4.673 38.742 25.743 1.00 26.09 C ATOM 303 C GLY A 40 3.691 37.613 25.523 1.00 25.13 C ATOM 304 O GLY A 40 3.889 36.491 25.989 1.00 24.62 O ATOM 0 H GLY A 40 5.763 38.470 27.363 1.00 25.97 H new ATOM 0 HA2 GLY A 40 4.215 39.468 26.194 1.00 26.09 H new ATOM 0 HA3 GLY A 40 4.956 39.079 24.879 1.00 26.09 H new ATOM 305 N ARG A 41 2.618 37.926 24.807 1.00 25.67 N ATOM 306 CA ARG A 41 1.582 36.952 24.506 1.00 26.74 C ATOM 307 C ARG A 41 1.977 36.161 23.270 1.00 24.50 C ATOM 308 O ARG A 41 2.862 36.563 22.523 1.00 23.07 O ATOM 309 CB ARG A 41 0.245 37.662 24.268 1.00 30.18 C ATOM 310 CG ARG A 41 -0.323 38.348 25.504 1.00 32.58 C ATOM 311 CD ARG A 41 -1.562 39.166 25.172 1.00 37.63 C ATOM 312 NE ARG A 41 -2.636 38.354 24.601 1.00 41.69 N ATOM 313 CZ ARG A 41 -3.289 37.399 25.257 1.00 43.41 C ATOM 314 NH1 ARG A 41 -2.982 37.129 26.519 1.00 45.33 N ATOM 315 NH2 ARG A 41 -4.250 36.712 24.651 1.00 44.15 N ATOM 0 H ARG A 41 2.471 38.709 24.483 1.00 25.67 H new ATOM 0 HA ARG A 41 1.483 36.347 25.258 1.00 26.74 H new ATOM 0 HB2 ARG A 41 0.361 38.323 23.568 1.00 30.18 H new ATOM 0 HB3 ARG A 41 -0.401 37.015 23.943 1.00 30.18 H new ATOM 0 HG2 ARG A 41 -0.545 37.681 26.172 1.00 32.58 H new ATOM 0 HG3 ARG A 41 0.352 38.926 25.893 1.00 32.58 H new ATOM 0 HD2 ARG A 41 -1.883 39.601 25.977 1.00 37.63 H new ATOM 0 HD3 ARG A 41 -1.324 39.868 24.546 1.00 37.63 H new ATOM 0 HE ARG A 41 -2.861 38.504 23.785 1.00 41.69 H new ATOM 0 HH11 ARG A 41 -2.360 37.572 26.914 1.00 45.33 H new ATOM 0 HH12 ARG A 41 -3.405 36.511 26.942 1.00 45.33 H new ATOM 0 HH21 ARG A 41 -4.451 36.884 23.833 1.00 44.15 H new ATOM 0 HH22 ARG A 41 -4.671 36.095 25.077 1.00 44.15 H new ATOM 316 N TRP A 42 1.320 35.028 23.063 1.00 24.39 N ATOM 317 CA TRP A 42 1.612 34.193 21.912 1.00 22.36 C ATOM 318 C TRP A 42 0.359 33.474 21.439 1.00 22.91 C ATOM 319 O TRP A 42 -0.581 33.270 22.207 1.00 21.72 O ATOM 320 CB TRP A 42 2.681 33.158 22.267 1.00 21.91 C ATOM 321 CG TRP A 42 2.273 32.233 23.376 1.00 23.39 C ATOM 322 CD1 TRP A 42 2.490 32.408 24.714 1.00 22.52 C ATOM 323 CD2 TRP A 42 1.563 30.994 23.244 1.00 23.45 C ATOM 324 NE1 TRP A 42 1.964 31.356 25.421 1.00 22.93 N ATOM 325 CE2 TRP A 42 1.387 30.473 24.546 1.00 23.31 C ATOM 326 CE3 TRP A 42 1.058 30.272 22.151 1.00 24.13 C ATOM 327 CZ2 TRP A 42 0.727 29.264 24.790 1.00 24.36 C ATOM 328 CZ3 TRP A 42 0.400 29.065 22.390 1.00 23.56 C ATOM 329 CH2 TRP A 42 0.242 28.575 23.704 1.00 26.02 C ATOM 0 H TRP A 42 0.701 34.726 23.578 1.00 24.39 H new ATOM 0 HA TRP A 42 1.938 34.766 21.200 1.00 22.36 H new ATOM 0 HB2 TRP A 42 2.888 32.634 21.478 1.00 21.91 H new ATOM 0 HB3 TRP A 42 3.495 33.619 22.523 1.00 21.91 H new ATOM 0 HD1 TRP A 42 2.931 33.135 25.091 1.00 22.52 H new ATOM 0 HE1 TRP A 42 1.992 31.265 26.276 1.00 22.93 H new ATOM 0 HE3 TRP A 42 1.160 30.592 21.284 1.00 24.13 H new ATOM 0 HZ2 TRP A 42 0.620 28.939 25.655 1.00 24.36 H new ATOM 0 HZ3 TRP A 42 0.061 28.577 21.674 1.00 23.56 H new ATOM 0 HH2 TRP A 42 -0.200 27.768 23.838 1.00 26.02 H new ATOM 330 N LYS A 43 0.354 33.097 20.165 1.00 22.26 N ATOM 331 CA LYS A 43 -0.763 32.373 19.579 1.00 21.69 C ATOM 332 C LYS A 43 -0.231 31.067 19.012 1.00 19.24 C ATOM 333 O LYS A 43 0.887 31.011 18.517 1.00 18.91 O ATOM 334 CB LYS A 43 -1.409 33.174 18.449 1.00 23.55 C ATOM 335 CG LYS A 43 -2.023 34.485 18.886 1.00 30.45 C ATOM 336 CD LYS A 43 -3.214 34.854 18.011 1.00 33.01 C ATOM 337 CE LYS A 43 -4.341 33.846 18.177 1.00 35.37 C ATOM 338 NZ LYS A 43 -4.712 33.680 19.615 1.00 36.07 N ATOM 0 H LYS A 43 0.998 33.254 19.618 1.00 22.26 H new ATOM 0 HA LYS A 43 -1.433 32.216 20.263 1.00 21.69 H new ATOM 0 HB2 LYS A 43 -0.740 33.353 17.770 1.00 23.55 H new ATOM 0 HB3 LYS A 43 -2.096 32.630 18.033 1.00 23.55 H new ATOM 0 HG2 LYS A 43 -2.306 34.420 19.811 1.00 30.45 H new ATOM 0 HG3 LYS A 43 -1.356 35.188 18.842 1.00 30.45 H new ATOM 0 HD2 LYS A 43 -3.530 35.740 18.246 1.00 33.01 H new ATOM 0 HD3 LYS A 43 -2.939 34.888 17.081 1.00 33.01 H new ATOM 0 HE2 LYS A 43 -5.116 34.138 17.672 1.00 35.37 H new ATOM 0 HE3 LYS A 43 -4.069 32.990 17.810 1.00 35.37 H new ATOM 0 HZ1 LYS A 43 -5.517 33.305 19.673 1.00 36.07 H new ATOM 0 HZ2 LYS A 43 -4.113 33.160 20.018 1.00 36.07 H new ATOM 0 HZ3 LYS A 43 -4.727 34.477 20.012 1.00 36.07 H new ATOM 339 N PRO A 44 -1.025 29.994 19.091 1.00 19.84 N ATOM 340 CA PRO A 44 -0.573 28.708 18.557 1.00 18.53 C ATOM 341 C PRO A 44 -0.584 28.712 17.023 1.00 19.65 C ATOM 342 O PRO A 44 -1.445 29.331 16.397 1.00 19.55 O ATOM 343 CB PRO A 44 -1.575 27.723 19.144 1.00 17.34 C ATOM 344 CG PRO A 44 -2.824 28.541 19.244 1.00 19.19 C ATOM 345 CD PRO A 44 -2.316 29.855 19.787 1.00 17.57 C ATOM 0 HA PRO A 44 0.342 28.488 18.792 1.00 18.53 H new ATOM 0 HB2 PRO A 44 -1.696 26.949 18.572 1.00 17.34 H new ATOM 0 HB3 PRO A 44 -1.290 27.393 20.011 1.00 17.34 H new ATOM 0 HG2 PRO A 44 -3.254 28.649 18.381 1.00 19.19 H new ATOM 0 HG3 PRO A 44 -3.475 28.134 19.836 1.00 19.19 H new ATOM 0 HD2 PRO A 44 -2.918 30.588 19.586 1.00 17.57 H new ATOM 0 HD3 PRO A 44 -2.209 29.833 20.751 1.00 17.57 H new ATOM 346 N LYS A 45 0.397 28.045 16.426 1.00 17.68 N ATOM 347 CA LYS A 45 0.472 27.961 14.976 1.00 17.43 C ATOM 348 C LYS A 45 0.956 26.572 14.596 1.00 16.79 C ATOM 349 O LYS A 45 1.553 25.863 15.403 1.00 15.34 O ATOM 350 CB LYS A 45 1.433 29.015 14.414 1.00 18.70 C ATOM 351 CG LYS A 45 1.472 29.098 12.882 1.00 18.06 C ATOM 352 CD LYS A 45 2.611 30.005 12.419 1.00 19.08 C ATOM 353 CE LYS A 45 2.693 30.125 10.904 1.00 19.87 C ATOM 354 NZ LYS A 45 1.575 30.925 10.337 1.00 20.97 N ATOM 0 H LYS A 45 1.028 27.635 16.843 1.00 17.68 H new ATOM 0 HA LYS A 45 -0.407 28.127 14.602 1.00 17.43 H new ATOM 0 HB2 LYS A 45 1.183 29.883 14.766 1.00 18.70 H new ATOM 0 HB3 LYS A 45 2.327 28.825 14.738 1.00 18.70 H new ATOM 0 HG2 LYS A 45 1.587 28.210 12.508 1.00 18.06 H new ATOM 0 HG3 LYS A 45 0.626 29.438 12.550 1.00 18.06 H new ATOM 0 HD2 LYS A 45 2.492 30.888 12.803 1.00 19.08 H new ATOM 0 HD3 LYS A 45 3.452 29.659 12.758 1.00 19.08 H new ATOM 0 HE2 LYS A 45 3.537 30.535 10.660 1.00 19.87 H new ATOM 0 HE3 LYS A 45 2.685 29.238 10.511 1.00 19.87 H new ATOM 0 HZ1 LYS A 45 1.868 31.391 9.638 1.00 20.97 H new ATOM 0 HZ2 LYS A 45 0.922 30.380 10.077 1.00 20.97 H new ATOM 0 HZ3 LYS A 45 1.265 31.484 10.957 1.00 20.97 H new ATOM 355 N MET A 46 0.686 26.182 13.361 1.00 17.32 N ATOM 356 CA MET A 46 1.106 24.881 12.879 1.00 19.10 C ATOM 357 C MET A 46 1.938 25.109 11.616 1.00 18.03 C ATOM 358 O MET A 46 1.490 25.783 10.692 1.00 18.54 O ATOM 359 CB MET A 46 -0.130 24.039 12.558 1.00 20.30 C ATOM 360 CG MET A 46 0.120 22.551 12.444 1.00 26.69 C ATOM 361 SD MET A 46 0.169 21.729 14.051 1.00 30.19 S ATOM 362 CE MET A 46 -1.523 21.204 14.212 1.00 29.44 C ATOM 0 H MET A 46 0.259 26.658 12.785 1.00 17.32 H new ATOM 0 HA MET A 46 1.631 24.411 13.545 1.00 19.10 H new ATOM 0 HB2 MET A 46 -0.795 24.189 13.248 1.00 20.30 H new ATOM 0 HB3 MET A 46 -0.511 24.354 11.723 1.00 20.30 H new ATOM 0 HG2 MET A 46 -0.577 22.150 11.901 1.00 26.69 H new ATOM 0 HG3 MET A 46 0.960 22.402 11.983 1.00 26.69 H new ATOM 0 HE1 MET A 46 -1.638 20.737 15.054 1.00 29.44 H new ATOM 0 HE2 MET A 46 -2.106 21.979 14.190 1.00 29.44 H new ATOM 0 HE3 MET A 46 -1.749 20.610 13.479 1.00 29.44 H new ATOM 363 N ILE A 47 3.157 24.581 11.584 1.00 17.05 N ATOM 364 CA ILE A 47 3.991 24.727 10.396 1.00 15.12 C ATOM 365 C ILE A 47 4.451 23.355 9.926 1.00 15.74 C ATOM 366 O ILE A 47 4.667 22.457 10.730 1.00 16.33 O ATOM 367 CB ILE A 47 5.224 25.629 10.647 1.00 14.32 C ATOM 368 CG1 ILE A 47 6.106 25.051 11.751 1.00 15.57 C ATOM 369 CG2 ILE A 47 4.770 27.031 11.005 1.00 16.00 C ATOM 370 CD1 ILE A 47 7.293 25.958 12.111 1.00 15.38 C ATOM 0 H ILE A 47 3.516 24.141 12.229 1.00 17.05 H new ATOM 0 HA ILE A 47 3.452 25.156 9.713 1.00 15.12 H new ATOM 0 HB ILE A 47 5.752 25.666 9.834 1.00 14.32 H new ATOM 0 HG12 ILE A 47 5.567 24.903 12.544 1.00 15.57 H new ATOM 0 HG13 ILE A 47 6.441 24.185 11.470 1.00 15.57 H new ATOM 0 HG21 ILE A 47 5.545 27.592 11.161 1.00 16.00 H new ATOM 0 HG22 ILE A 47 4.247 27.398 10.275 1.00 16.00 H new ATOM 0 HG23 ILE A 47 4.227 27.000 11.808 1.00 16.00 H new ATOM 0 HD11 ILE A 47 7.816 25.543 12.814 1.00 15.38 H new ATOM 0 HD12 ILE A 47 7.850 26.088 11.328 1.00 15.38 H new ATOM 0 HD13 ILE A 47 6.963 26.817 12.418 1.00 15.38 H new ATOM 371 N GLY A 48 4.592 23.196 8.618 1.00 14.66 N ATOM 372 CA GLY A 48 5.002 21.918 8.085 1.00 15.83 C ATOM 373 C GLY A 48 5.949 22.002 6.905 1.00 16.71 C ATOM 374 O GLY A 48 6.234 23.078 6.366 1.00 16.05 O ATOM 0 H GLY A 48 4.456 23.810 8.032 1.00 14.66 H new ATOM 0 HA2 GLY A 48 5.428 21.408 8.791 1.00 15.83 H new ATOM 0 HA3 GLY A 48 4.212 21.424 7.816 1.00 15.83 H new ATOM 375 N GLY A 49 6.441 20.832 6.520 1.00 15.97 N ATOM 376 CA GLY A 49 7.364 20.708 5.412 1.00 13.66 C ATOM 377 C GLY A 49 7.788 19.254 5.405 1.00 12.63 C ATOM 378 O GLY A 49 6.983 18.374 5.681 1.00 10.24 O ATOM 0 H GLY A 49 6.245 20.085 6.899 1.00 15.97 H new ATOM 0 HA2 GLY A 49 6.940 20.953 4.575 1.00 13.66 H new ATOM 0 HA3 GLY A 49 8.128 21.295 5.526 1.00 13.66 H new ATOM 379 N ILE A 50 9.053 19.000 5.114 1.00 13.17 N ATOM 380 CA ILE A 50 9.557 17.642 5.083 1.00 13.49 C ATOM 381 C ILE A 50 9.337 17.002 6.450 1.00 15.45 C ATOM 382 O ILE A 50 9.706 17.569 7.482 1.00 15.71 O ATOM 383 CB ILE A 50 11.054 17.635 4.747 1.00 14.46 C ATOM 384 CG1 ILE A 50 11.282 18.322 3.397 1.00 15.05 C ATOM 385 CG2 ILE A 50 11.576 16.211 4.711 1.00 15.17 C ATOM 386 CD1 ILE A 50 10.594 17.642 2.225 1.00 14.19 C ATOM 0 H ILE A 50 9.637 19.604 4.931 1.00 13.17 H new ATOM 0 HA ILE A 50 9.084 17.141 4.400 1.00 13.49 H new ATOM 0 HB ILE A 50 11.537 18.121 5.434 1.00 14.46 H new ATOM 0 HG12 ILE A 50 10.969 19.238 3.455 1.00 15.05 H new ATOM 0 HG13 ILE A 50 12.235 18.359 3.222 1.00 15.05 H new ATOM 0 HG21 ILE A 50 12.522 16.218 4.498 1.00 15.17 H new ATOM 0 HG22 ILE A 50 11.443 15.795 5.577 1.00 15.17 H new ATOM 0 HG23 ILE A 50 11.097 15.707 4.035 1.00 15.17 H new ATOM 0 HD11 ILE A 50 10.784 18.132 1.410 1.00 14.19 H new ATOM 0 HD12 ILE A 50 10.922 16.733 2.140 1.00 14.19 H new ATOM 0 HD13 ILE A 50 9.636 17.626 2.377 1.00 14.19 H new ATOM 387 N GLY A 51 8.716 15.828 6.451 1.00 16.84 N ATOM 388 CA GLY A 51 8.462 15.130 7.695 1.00 16.50 C ATOM 389 C GLY A 51 7.067 15.404 8.207 1.00 16.25 C ATOM 390 O GLY A 51 6.490 14.590 8.921 1.00 17.66 O ATOM 0 H GLY A 51 8.437 15.424 5.745 1.00 16.84 H new ATOM 0 HA2 GLY A 51 8.578 14.176 7.562 1.00 16.50 H new ATOM 0 HA3 GLY A 51 9.112 15.405 8.360 1.00 16.50 H new ATOM 391 N GLY A 52 6.518 16.557 7.855 1.00 16.51 N ATOM 392 CA GLY A 52 5.180 16.874 8.305 1.00 17.02 C ATOM 393 C GLY A 52 5.076 18.178 9.069 1.00 19.26 C ATOM 394 O GLY A 52 5.846 19.111 8.833 1.00 19.08 O ATOM 0 H GLY A 52 6.896 17.156 7.367 1.00 16.51 H new ATOM 0 HA2 GLY A 52 4.591 16.914 7.535 1.00 17.02 H new ATOM 0 HA3 GLY A 52 4.860 16.153 8.870 1.00 17.02 H new ATOM 395 N PHE A 53 4.131 18.236 10.004 1.00 16.75 N ATOM 396 CA PHE A 53 3.897 19.450 10.771 1.00 17.43 C ATOM 397 C PHE A 53 4.243 19.347 12.243 1.00 16.92 C ATOM 398 O PHE A 53 4.331 18.259 12.806 1.00 18.13 O ATOM 399 CB PHE A 53 2.428 19.878 10.655 1.00 15.71 C ATOM 400 CG PHE A 53 2.024 20.318 9.273 1.00 15.99 C ATOM 401 CD1 PHE A 53 1.961 19.404 8.224 1.00 16.41 C ATOM 402 CD2 PHE A 53 1.711 21.647 9.021 1.00 14.83 C ATOM 403 CE1 PHE A 53 1.591 19.808 6.941 1.00 16.92 C ATOM 404 CE2 PHE A 53 1.338 22.066 7.741 1.00 18.91 C ATOM 405 CZ PHE A 53 1.278 21.143 6.697 1.00 18.07 C ATOM 0 H PHE A 53 3.614 17.580 10.208 1.00 16.75 H new ATOM 0 HA PHE A 53 4.496 20.107 10.383 1.00 17.43 H new ATOM 0 HB2 PHE A 53 1.863 19.138 10.927 1.00 15.71 H new ATOM 0 HB3 PHE A 53 2.263 20.604 11.277 1.00 15.71 H new ATOM 0 HD1 PHE A 53 2.169 18.511 8.381 1.00 16.41 H new ATOM 0 HD2 PHE A 53 1.750 22.267 9.713 1.00 14.83 H new ATOM 0 HE1 PHE A 53 1.553 19.187 6.250 1.00 16.92 H new ATOM 0 HE2 PHE A 53 1.130 22.959 7.586 1.00 18.91 H new ATOM 0 HZ PHE A 53 1.031 21.417 5.843 1.00 18.07 H new ATOM 406 N ILE A 54 4.445 20.507 12.850 1.00 16.53 N ATOM 407 CA ILE A 54 4.731 20.620 14.277 1.00 15.95 C ATOM 408 C ILE A 54 3.984 21.862 14.763 1.00 16.04 C ATOM 409 O ILE A 54 3.785 22.823 14.007 1.00 14.65 O ATOM 410 CB ILE A 54 6.240 20.811 14.570 1.00 14.66 C ATOM 411 CG1 ILE A 54 6.752 22.070 13.870 1.00 13.71 C ATOM 412 CG2 ILE A 54 7.019 19.574 14.128 1.00 16.36 C ATOM 413 CD1 ILE A 54 8.144 22.510 14.324 1.00 15.20 C ATOM 0 H ILE A 54 4.420 21.263 12.441 1.00 16.53 H new ATOM 0 HA ILE A 54 4.456 19.804 14.724 1.00 15.95 H new ATOM 0 HB ILE A 54 6.372 20.923 15.524 1.00 14.66 H new ATOM 0 HG12 ILE A 54 6.768 21.913 12.913 1.00 13.71 H new ATOM 0 HG13 ILE A 54 6.126 22.794 14.028 1.00 13.71 H new ATOM 0 HG21 ILE A 54 7.962 19.702 14.315 1.00 16.36 H new ATOM 0 HG22 ILE A 54 6.696 18.798 14.612 1.00 16.36 H new ATOM 0 HG23 ILE A 54 6.894 19.436 13.176 1.00 16.36 H new ATOM 0 HD11 ILE A 54 8.404 23.310 13.841 1.00 15.20 H new ATOM 0 HD12 ILE A 54 8.130 22.697 15.276 1.00 15.20 H new ATOM 0 HD13 ILE A 54 8.782 21.802 14.143 1.00 15.20 H new ATOM 414 N LYS A 55 3.561 21.833 16.020 1.00 15.40 N ATOM 415 CA LYS A 55 2.849 22.950 16.604 1.00 16.63 C ATOM 416 C LYS A 55 3.882 23.854 17.248 1.00 16.79 C ATOM 417 O LYS A 55 4.846 23.376 17.854 1.00 17.17 O ATOM 418 CB LYS A 55 1.859 22.439 17.657 1.00 19.47 C ATOM 419 CG LYS A 55 1.020 23.520 18.315 1.00 21.68 C ATOM 420 CD LYS A 55 -0.005 22.909 19.263 1.00 24.98 C ATOM 421 CE LYS A 55 -0.859 23.989 19.919 1.00 26.79 C ATOM 422 NZ LYS A 55 -1.912 23.431 20.823 1.00 27.68 N ATOM 0 H LYS A 55 3.679 21.168 16.552 1.00 15.40 H new ATOM 0 HA LYS A 55 2.347 23.434 15.930 1.00 16.63 H new ATOM 0 HB2 LYS A 55 1.266 21.795 17.240 1.00 19.47 H new ATOM 0 HB3 LYS A 55 2.353 21.966 18.345 1.00 19.47 H new ATOM 0 HG2 LYS A 55 1.595 24.129 18.803 1.00 21.68 H new ATOM 0 HG3 LYS A 55 0.567 24.042 17.635 1.00 21.68 H new ATOM 0 HD2 LYS A 55 -0.575 22.294 18.775 1.00 24.98 H new ATOM 0 HD3 LYS A 55 0.450 22.393 19.947 1.00 24.98 H new ATOM 0 HE2 LYS A 55 -0.285 24.584 20.427 1.00 26.79 H new ATOM 0 HE3 LYS A 55 -1.282 24.524 19.229 1.00 26.79 H new ATOM 0 HZ1 LYS A 55 -2.213 24.073 21.360 1.00 27.68 H new ATOM 0 HZ2 LYS A 55 -2.585 23.114 20.335 1.00 27.68 H new ATOM 0 HZ3 LYS A 55 -1.565 22.774 21.313 1.00 27.68 H new ATOM 423 N VAL A 56 3.696 25.160 17.116 1.00 16.33 N ATOM 424 CA VAL A 56 4.638 26.099 17.707 1.00 17.32 C ATOM 425 C VAL A 56 3.886 27.277 18.301 1.00 17.80 C ATOM 426 O VAL A 56 2.691 27.442 18.053 1.00 18.37 O ATOM 427 CB VAL A 56 5.634 26.647 16.647 1.00 17.60 C ATOM 428 CG1 VAL A 56 6.378 25.500 15.991 1.00 15.54 C ATOM 429 CG2 VAL A 56 4.880 27.453 15.591 1.00 17.84 C ATOM 0 H VAL A 56 3.039 25.520 16.694 1.00 16.33 H new ATOM 0 HA VAL A 56 5.132 25.623 18.393 1.00 17.32 H new ATOM 0 HB VAL A 56 6.275 27.226 17.087 1.00 17.60 H new ATOM 0 HG11 VAL A 56 6.997 25.851 15.331 1.00 15.54 H new ATOM 0 HG12 VAL A 56 6.870 25.006 16.665 1.00 15.54 H new ATOM 0 HG13 VAL A 56 5.743 24.909 15.556 1.00 15.54 H new ATOM 0 HG21 VAL A 56 5.507 27.792 14.933 1.00 17.84 H new ATOM 0 HG22 VAL A 56 4.229 26.883 15.153 1.00 17.84 H new ATOM 0 HG23 VAL A 56 4.424 28.197 16.016 1.00 17.84 H new ATOM 430 N ARG A 57 4.590 28.080 19.093 1.00 16.05 N ATOM 431 CA ARG A 57 4.012 29.269 19.698 1.00 16.23 C ATOM 432 C ARG A 57 4.550 30.476 18.937 1.00 15.34 C ATOM 433 O ARG A 57 5.759 30.636 18.783 1.00 12.47 O ATOM 434 CB ARG A 57 4.408 29.386 21.171 1.00 18.03 C ATOM 435 CG ARG A 57 3.832 28.326 22.081 1.00 20.86 C ATOM 436 CD ARG A 57 4.400 28.488 23.488 1.00 22.96 C ATOM 437 NE ARG A 57 5.856 28.566 23.426 1.00 26.85 N ATOM 438 CZ ARG A 57 6.670 28.589 24.475 1.00 26.66 C ATOM 439 NH1 ARG A 57 6.190 28.533 25.712 1.00 29.64 N ATOM 440 NH2 ARG A 57 7.973 28.690 24.283 1.00 25.51 N ATOM 0 H ARG A 57 5.416 27.949 19.293 1.00 16.05 H new ATOM 0 HA ARG A 57 3.044 29.221 19.652 1.00 16.23 H new ATOM 0 HB2 ARG A 57 5.375 29.354 21.234 1.00 18.03 H new ATOM 0 HB3 ARG A 57 4.131 30.257 21.497 1.00 18.03 H new ATOM 0 HG2 ARG A 57 2.865 28.398 22.103 1.00 20.86 H new ATOM 0 HG3 ARG A 57 4.043 27.444 21.738 1.00 20.86 H new ATOM 0 HD2 ARG A 57 4.042 29.290 23.900 1.00 22.96 H new ATOM 0 HD3 ARG A 57 4.131 27.739 24.043 1.00 22.96 H new ATOM 0 HE ARG A 57 6.217 28.600 22.646 1.00 26.85 H new ATOM 0 HH11 ARG A 57 5.341 28.481 25.842 1.00 29.64 H new ATOM 0 HH12 ARG A 57 6.728 28.549 26.383 1.00 29.64 H new ATOM 0 HH21 ARG A 57 8.287 28.740 23.484 1.00 25.51 H new ATOM 0 HH22 ARG A 57 8.507 28.706 24.957 1.00 25.51 H new ATOM 441 N GLN A 58 3.644 31.325 18.469 1.00 15.97 N ATOM 442 CA GLN A 58 4.033 32.510 17.723 1.00 15.88 C ATOM 443 C GLN A 58 4.124 33.730 18.630 1.00 16.55 C ATOM 444 O GLN A 58 3.151 34.092 19.294 1.00 15.26 O ATOM 445 CB GLN A 58 3.020 32.789 16.605 1.00 16.38 C ATOM 446 CG GLN A 58 3.291 34.076 15.823 1.00 18.81 C ATOM 447 CD GLN A 58 2.215 34.376 14.784 1.00 20.62 C ATOM 448 OE1 GLN A 58 1.608 33.462 14.222 1.00 17.56 O ATOM 449 NE2 GLN A 58 1.985 35.665 14.518 1.00 19.01 N ATOM 0 H GLN A 58 2.796 31.231 18.574 1.00 15.97 H new ATOM 0 HA GLN A 58 4.908 32.341 17.340 1.00 15.88 H new ATOM 0 HB2 GLN A 58 3.020 32.041 15.988 1.00 16.38 H new ATOM 0 HB3 GLN A 58 2.132 32.838 16.991 1.00 16.38 H new ATOM 0 HG2 GLN A 58 3.352 34.819 16.443 1.00 18.81 H new ATOM 0 HG3 GLN A 58 4.151 34.005 15.380 1.00 18.81 H new ATOM 0 HE21 GLN A 58 2.429 36.275 14.931 1.00 19.01 H new ATOM 0 HE22 GLN A 58 1.393 35.885 13.934 1.00 19.01 H new ATOM 450 N TYR A 59 5.304 34.346 18.652 1.00 15.76 N ATOM 451 CA TYR A 59 5.550 35.550 19.434 1.00 16.91 C ATOM 452 C TYR A 59 5.870 36.667 18.453 1.00 17.30 C ATOM 453 O TYR A 59 6.746 36.523 17.610 1.00 16.39 O ATOM 454 CB TYR A 59 6.748 35.385 20.374 1.00 15.98 C ATOM 455 CG TYR A 59 6.563 34.389 21.492 1.00 17.07 C ATOM 456 CD1 TYR A 59 6.813 33.025 21.294 1.00 16.87 C ATOM 457 CD2 TYR A 59 6.155 34.811 22.756 1.00 17.34 C ATOM 458 CE1 TYR A 59 6.662 32.114 22.330 1.00 17.11 C ATOM 459 CE2 TYR A 59 6.001 33.914 23.795 1.00 18.77 C ATOM 460 CZ TYR A 59 6.252 32.568 23.582 1.00 19.01 C ATOM 461 OH TYR A 59 6.079 31.685 24.620 1.00 19.33 O ATOM 0 H TYR A 59 5.989 34.073 18.209 1.00 15.76 H new ATOM 0 HA TYR A 59 4.767 35.740 19.974 1.00 16.91 H new ATOM 0 HB2 TYR A 59 7.518 35.118 19.848 1.00 15.98 H new ATOM 0 HB3 TYR A 59 6.956 36.249 20.763 1.00 15.98 H new ATOM 0 HD1 TYR A 59 7.084 32.726 20.456 1.00 16.87 H new ATOM 0 HD2 TYR A 59 5.983 35.713 22.903 1.00 17.34 H new ATOM 0 HE1 TYR A 59 6.833 31.211 22.190 1.00 17.11 H new ATOM 0 HE2 TYR A 59 5.730 34.212 24.633 1.00 18.77 H new ATOM 0 HH TYR A 59 5.685 32.071 25.254 1.00 19.33 H new ATOM 462 N ASP A 60 5.162 37.782 18.558 1.00 18.94 N ATOM 463 CA ASP A 60 5.423 38.899 17.663 1.00 20.40 C ATOM 464 C ASP A 60 6.253 39.981 18.355 1.00 19.85 C ATOM 465 O ASP A 60 6.395 39.981 19.574 1.00 20.33 O ATOM 466 CB ASP A 60 4.102 39.481 17.147 1.00 21.59 C ATOM 467 CG ASP A 60 3.338 38.500 16.269 1.00 23.84 C ATOM 468 OD1 ASP A 60 3.980 37.793 15.467 1.00 24.23 O ATOM 469 OD2 ASP A 60 2.097 38.445 16.365 1.00 26.93 O ATOM 0 H ASP A 60 4.535 37.912 19.132 1.00 18.94 H new ATOM 0 HA ASP A 60 5.937 38.570 16.909 1.00 20.40 H new ATOM 0 HB2 ASP A 60 3.547 39.736 17.901 1.00 21.59 H new ATOM 0 HB3 ASP A 60 4.283 40.289 16.642 1.00 21.59 H new ATOM 470 N GLN A 61 6.818 40.886 17.567 1.00 20.50 N ATOM 471 CA GLN A 61 7.622 41.988 18.094 1.00 22.12 C ATOM 472 C GLN A 61 8.750 41.536 19.028 1.00 20.94 C ATOM 473 O GLN A 61 8.891 42.031 20.145 1.00 21.41 O ATOM 474 CB GLN A 61 6.704 42.984 18.811 1.00 23.54 C ATOM 475 CG GLN A 61 5.546 43.457 17.934 1.00 28.38 C ATOM 476 CD GLN A 61 4.488 44.222 18.705 1.00 30.57 C ATOM 477 OE1 GLN A 61 4.651 45.405 19.005 1.00 31.51 O ATOM 478 NE2 GLN A 61 3.394 43.541 19.040 1.00 33.61 N ATOM 0 H GLN A 61 6.748 40.881 16.710 1.00 20.50 H new ATOM 0 HA GLN A 61 8.058 42.409 17.337 1.00 22.12 H new ATOM 0 HB2 GLN A 61 6.349 42.571 19.613 1.00 23.54 H new ATOM 0 HB3 GLN A 61 7.225 43.752 19.094 1.00 23.54 H new ATOM 0 HG2 GLN A 61 5.894 44.022 17.226 1.00 28.38 H new ATOM 0 HG3 GLN A 61 5.135 42.688 17.508 1.00 28.38 H new ATOM 0 HE21 GLN A 61 3.315 42.715 18.813 1.00 33.61 H new ATOM 0 HE22 GLN A 61 2.766 43.927 19.483 1.00 33.61 H new ATOM 479 N ILE A 62 9.558 40.595 18.557 1.00 20.99 N ATOM 480 CA ILE A 62 10.675 40.088 19.342 1.00 19.91 C ATOM 481 C ILE A 62 11.967 40.612 18.748 1.00 20.49 C ATOM 482 O ILE A 62 12.158 40.559 17.537 1.00 20.00 O ATOM 483 CB ILE A 62 10.705 38.541 19.333 1.00 21.13 C ATOM 484 CG1 ILE A 62 9.452 37.997 20.027 1.00 18.97 C ATOM 485 CG2 ILE A 62 11.976 38.035 20.011 1.00 21.24 C ATOM 486 CD1 ILE A 62 9.331 38.413 21.489 1.00 15.83 C ATOM 0 H ILE A 62 9.476 40.235 17.780 1.00 20.99 H new ATOM 0 HA ILE A 62 10.572 40.387 20.259 1.00 19.91 H new ATOM 0 HB ILE A 62 10.710 38.223 18.417 1.00 21.13 H new ATOM 0 HG12 ILE A 62 8.667 38.303 19.546 1.00 18.97 H new ATOM 0 HG13 ILE A 62 9.458 37.028 19.974 1.00 18.97 H new ATOM 0 HG21 ILE A 62 11.985 37.065 20.000 1.00 21.24 H new ATOM 0 HG22 ILE A 62 12.752 38.370 19.536 1.00 21.24 H new ATOM 0 HG23 ILE A 62 12.000 38.348 20.929 1.00 21.24 H new ATOM 0 HD11 ILE A 62 8.520 38.037 21.867 1.00 15.83 H new ATOM 0 HD12 ILE A 62 10.099 38.086 21.983 1.00 15.83 H new ATOM 0 HD13 ILE A 62 9.296 39.381 21.549 1.00 15.83 H new ATOM 487 N LEU A 63 12.852 41.123 19.595 1.00 21.36 N ATOM 488 CA LEU A 63 14.126 41.653 19.126 1.00 23.26 C ATOM 489 C LEU A 63 15.144 40.522 19.035 1.00 24.05 C ATOM 490 O LEU A 63 15.171 39.638 19.882 1.00 22.80 O ATOM 491 CB LEU A 63 14.634 42.744 20.078 1.00 26.20 C ATOM 492 CG LEU A 63 15.835 43.600 19.640 1.00 28.57 C ATOM 493 CD1 LEU A 63 15.966 44.801 20.568 1.00 30.27 C ATOM 494 CD2 LEU A 63 17.115 42.780 19.646 1.00 30.75 C ATOM 0 H LEU A 63 12.734 41.172 20.445 1.00 21.36 H new ATOM 0 HA LEU A 63 14.002 42.046 18.248 1.00 23.26 H new ATOM 0 HB2 LEU A 63 13.894 43.345 20.260 1.00 26.20 H new ATOM 0 HB3 LEU A 63 14.866 42.318 20.918 1.00 26.20 H new ATOM 0 HG LEU A 63 15.686 43.911 18.733 1.00 28.57 H new ATOM 0 HD11 LEU A 63 16.723 45.342 20.293 1.00 30.27 H new ATOM 0 HD12 LEU A 63 15.156 45.333 20.525 1.00 30.27 H new ATOM 0 HD13 LEU A 63 16.102 44.494 21.478 1.00 30.27 H new ATOM 0 HD21 LEU A 63 17.858 43.338 19.367 1.00 30.75 H new ATOM 0 HD22 LEU A 63 17.281 42.445 20.541 1.00 30.75 H new ATOM 0 HD23 LEU A 63 17.024 42.033 19.033 1.00 30.75 H new ATOM 495 N ILE A 64 15.966 40.549 17.990 1.00 23.96 N ATOM 496 CA ILE A 64 16.991 39.535 17.786 1.00 25.45 C ATOM 497 C ILE A 64 18.219 40.153 17.129 1.00 26.57 C ATOM 498 O ILE A 64 18.101 41.033 16.274 1.00 27.70 O ATOM 499 CB ILE A 64 16.485 38.379 16.875 1.00 26.60 C ATOM 500 CG1 ILE A 64 15.476 37.514 17.625 1.00 27.01 C ATOM 501 CG2 ILE A 64 17.658 37.504 16.418 1.00 25.96 C ATOM 502 CD1 ILE A 64 14.988 36.326 16.823 1.00 26.49 C ATOM 0 H ILE A 64 15.944 41.156 17.381 1.00 23.96 H new ATOM 0 HA ILE A 64 17.213 39.177 18.660 1.00 25.45 H new ATOM 0 HB ILE A 64 16.057 38.773 16.099 1.00 26.60 H new ATOM 0 HG12 ILE A 64 15.881 37.196 18.447 1.00 27.01 H new ATOM 0 HG13 ILE A 64 14.715 38.061 17.876 1.00 27.01 H new ATOM 0 HG21 ILE A 64 17.327 36.789 15.852 1.00 25.96 H new ATOM 0 HG22 ILE A 64 18.290 38.045 15.919 1.00 25.96 H new ATOM 0 HG23 ILE A 64 18.100 37.124 17.193 1.00 25.96 H new ATOM 0 HD11 ILE A 64 14.352 35.818 17.351 1.00 26.49 H new ATOM 0 HD12 ILE A 64 14.557 36.638 16.012 1.00 26.49 H new ATOM 0 HD13 ILE A 64 15.741 35.760 16.592 1.00 26.49 H new ATOM 503 N GLU A 65 19.397 39.701 17.535 1.00 27.33 N ATOM 504 CA GLU A 65 20.627 40.198 16.941 1.00 29.83 C ATOM 505 C GLU A 65 21.257 39.091 16.098 1.00 30.25 C ATOM 506 O GLU A 65 21.706 38.076 16.625 1.00 29.43 O ATOM 507 CB GLU A 65 21.608 40.666 18.017 1.00 31.60 C ATOM 508 CG GLU A 65 22.913 41.196 17.440 1.00 36.23 C ATOM 509 CD GLU A 65 23.727 41.983 18.443 1.00 38.13 C ATOM 510 OE1 GLU A 65 24.074 41.417 19.503 1.00 40.11 O ATOM 511 OE2 GLU A 65 24.017 43.170 18.169 1.00 39.39 O ATOM 0 H GLU A 65 19.505 39.110 18.150 1.00 27.33 H new ATOM 0 HA GLU A 65 20.419 40.961 16.379 1.00 29.83 H new ATOM 0 HB2 GLU A 65 21.190 41.361 18.549 1.00 31.60 H new ATOM 0 HB3 GLU A 65 21.801 39.927 18.615 1.00 31.60 H new ATOM 0 HG2 GLU A 65 23.443 40.451 17.114 1.00 36.23 H new ATOM 0 HG3 GLU A 65 22.717 41.761 16.676 1.00 36.23 H new ATOM 512 N ILE A 66 21.273 39.297 14.784 1.00 30.72 N ATOM 513 CA ILE A 66 21.835 38.324 13.856 1.00 32.81 C ATOM 514 C ILE A 66 23.095 38.884 13.209 1.00 34.19 C ATOM 515 O ILE A 66 23.067 39.944 12.590 1.00 32.61 O ATOM 516 CB ILE A 66 20.826 37.966 12.737 1.00 32.56 C ATOM 517 CG1 ILE A 66 19.459 37.653 13.345 1.00 33.53 C ATOM 518 CG2 ILE A 66 21.311 36.747 11.961 1.00 32.36 C ATOM 519 CD1 ILE A 66 18.376 37.393 12.315 1.00 35.23 C ATOM 0 H ILE A 66 20.959 40.003 14.407 1.00 30.72 H new ATOM 0 HA ILE A 66 22.044 37.524 14.364 1.00 32.81 H new ATOM 0 HB ILE A 66 20.752 38.725 12.137 1.00 32.56 H new ATOM 0 HG12 ILE A 66 19.540 36.876 13.920 1.00 33.53 H new ATOM 0 HG13 ILE A 66 19.187 38.395 13.908 1.00 33.53 H new ATOM 0 HG21 ILE A 66 20.672 36.532 11.264 1.00 32.36 H new ATOM 0 HG22 ILE A 66 22.173 36.940 11.561 1.00 32.36 H new ATOM 0 HG23 ILE A 66 21.397 35.992 12.564 1.00 32.36 H new ATOM 0 HD11 ILE A 66 17.539 37.202 12.766 1.00 35.23 H new ATOM 0 HD12 ILE A 66 18.268 38.177 11.753 1.00 35.23 H new ATOM 0 HD13 ILE A 66 18.627 36.634 11.766 1.00 35.23 H new ATOM 520 N CYS A 67 24.204 38.170 13.365 1.00 37.51 N ATOM 521 CA CYS A 67 25.473 38.597 12.783 1.00 39.83 C ATOM 522 C CYS A 67 25.768 40.059 13.098 1.00 39.67 C ATOM 523 O CYS A 67 26.368 40.762 12.289 1.00 40.56 O ATOM 524 CB CYS A 67 25.438 38.411 11.266 1.00 40.96 C ATOM 525 SG CYS A 67 24.745 36.836 10.745 1.00 46.08 S ATOM 0 H CYS A 67 24.244 37.433 13.806 1.00 37.51 H new ATOM 0 HA CYS A 67 26.174 38.050 13.171 1.00 39.83 H new ATOM 0 HB2 CYS A 67 24.919 39.130 10.872 1.00 40.96 H new ATOM 0 HB3 CYS A 67 26.340 38.489 10.918 1.00 40.96 H new ATOM 0 HG CYS A 67 25.455 36.341 9.914 1.00 46.08 H new ATOM 526 N GLY A 68 25.338 40.519 14.266 1.00 40.21 N ATOM 527 CA GLY A 68 25.582 41.900 14.638 1.00 40.10 C ATOM 528 C GLY A 68 24.479 42.852 14.206 1.00 40.04 C ATOM 529 O GLY A 68 24.550 44.053 14.473 1.00 41.42 O ATOM 0 H GLY A 68 24.909 40.054 14.848 1.00 40.21 H new ATOM 0 HA2 GLY A 68 25.686 41.954 15.601 1.00 40.10 H new ATOM 0 HA3 GLY A 68 26.420 42.189 14.245 1.00 40.10 H new ATOM 530 N HIS A 69 23.459 42.329 13.536 1.00 38.46 N ATOM 531 CA HIS A 69 22.350 43.162 13.086 1.00 38.11 C ATOM 532 C HIS A 69 21.125 42.980 13.984 1.00 37.42 C ATOM 533 O HIS A 69 20.590 41.872 14.100 1.00 36.31 O ATOM 534 CB HIS A 69 21.982 42.817 11.641 1.00 38.89 C ATOM 535 CG HIS A 69 23.081 43.075 10.656 1.00 39.56 C ATOM 536 ND1 HIS A 69 24.313 42.463 10.737 1.00 40.78 N ATOM 537 CD2 HIS A 69 23.124 43.863 9.556 1.00 40.02 C ATOM 538 CE1 HIS A 69 25.068 42.860 9.727 1.00 40.26 C ATOM 539 NE2 HIS A 69 24.370 43.709 8.996 1.00 41.03 N ATOM 0 H HIS A 69 23.389 41.496 13.332 1.00 38.46 H new ATOM 0 HA HIS A 69 22.634 44.088 13.135 1.00 38.11 H new ATOM 0 HB2 HIS A 69 21.732 41.881 11.595 1.00 38.89 H new ATOM 0 HB3 HIS A 69 21.202 43.332 11.384 1.00 38.89 H new ATOM 0 HD2 HIS A 69 22.439 44.406 9.239 1.00 40.02 H new ATOM 0 HE1 HIS A 69 25.941 42.588 9.560 1.00 40.26 H new ATOM 0 HE2 HIS A 69 24.650 44.102 8.284 1.00 41.03 H new ATOM 540 N LYS A 70 20.688 44.073 14.611 1.00 36.12 N ATOM 541 CA LYS A 70 19.530 44.056 15.503 1.00 35.28 C ATOM 542 C LYS A 70 18.222 44.165 14.729 1.00 34.75 C ATOM 543 O LYS A 70 17.878 45.238 14.241 1.00 36.53 O ATOM 544 CB LYS A 70 19.627 45.210 16.500 1.00 36.56 C ATOM 545 CG LYS A 70 20.813 45.098 17.439 1.00 38.69 C ATOM 546 CD LYS A 70 20.890 46.263 18.407 1.00 39.04 C ATOM 547 CE LYS A 70 22.028 46.062 19.395 1.00 39.97 C ATOM 548 NZ LYS A 70 23.349 45.889 18.715 1.00 40.68 N ATOM 0 H LYS A 70 21.056 44.846 14.530 1.00 36.12 H new ATOM 0 HA LYS A 70 19.533 43.208 15.974 1.00 35.28 H new ATOM 0 HB2 LYS A 70 19.688 46.046 16.012 1.00 36.56 H new ATOM 0 HB3 LYS A 70 18.811 45.246 17.023 1.00 36.56 H new ATOM 0 HG2 LYS A 70 20.751 44.269 17.938 1.00 38.69 H new ATOM 0 HG3 LYS A 70 21.631 45.056 16.920 1.00 38.69 H new ATOM 0 HD2 LYS A 70 21.023 47.089 17.917 1.00 39.04 H new ATOM 0 HD3 LYS A 70 20.051 46.349 18.886 1.00 39.04 H new ATOM 0 HE2 LYS A 70 22.072 46.824 19.993 1.00 39.97 H new ATOM 0 HE3 LYS A 70 21.844 45.282 19.942 1.00 39.97 H new ATOM 0 HZ1 LYS A 70 23.994 46.226 19.228 1.00 40.68 H new ATOM 0 HZ2 LYS A 70 23.502 45.023 18.579 1.00 40.68 H new ATOM 0 HZ3 LYS A 70 23.339 46.315 17.933 1.00 40.68 H new ATOM 549 N ALA A 71 17.488 43.060 14.633 1.00 31.99 N ATOM 550 CA ALA A 71 16.228 43.044 13.900 1.00 28.98 C ATOM 551 C ALA A 71 15.021 42.724 14.787 1.00 27.51 C ATOM 552 O ALA A 71 15.151 42.089 15.831 1.00 27.03 O ATOM 553 CB ALA A 71 16.317 42.040 12.755 1.00 28.54 C ATOM 0 H ALA A 71 17.704 42.307 14.987 1.00 31.99 H new ATOM 0 HA ALA A 71 16.087 43.939 13.554 1.00 28.98 H new ATOM 0 HB1 ALA A 71 15.478 42.030 12.268 1.00 28.54 H new ATOM 0 HB2 ALA A 71 17.036 42.295 12.156 1.00 28.54 H new ATOM 0 HB3 ALA A 71 16.493 41.156 13.113 1.00 28.54 H new ATOM 554 N ILE A 72 13.851 43.183 14.359 1.00 24.79 N ATOM 555 CA ILE A 72 12.605 42.963 15.083 1.00 23.96 C ATOM 556 C ILE A 72 11.687 42.114 14.204 1.00 22.45 C ATOM 557 O ILE A 72 11.580 42.358 13.001 1.00 21.39 O ATOM 558 CB ILE A 72 11.918 44.316 15.415 1.00 25.14 C ATOM 559 CG1 ILE A 72 12.833 45.146 16.320 1.00 27.79 C ATOM 560 CG2 ILE A 72 10.580 44.081 16.089 1.00 25.38 C ATOM 561 CD1 ILE A 72 12.332 46.556 16.601 1.00 30.56 C ATOM 0 H ILE A 72 13.757 43.635 13.634 1.00 24.79 H new ATOM 0 HA ILE A 72 12.789 42.508 15.920 1.00 23.96 H new ATOM 0 HB ILE A 72 11.760 44.802 14.590 1.00 25.14 H new ATOM 0 HG12 ILE A 72 12.944 44.680 17.164 1.00 27.79 H new ATOM 0 HG13 ILE A 72 13.710 45.202 15.910 1.00 27.79 H new ATOM 0 HG21 ILE A 72 10.164 44.934 16.290 1.00 25.38 H new ATOM 0 HG22 ILE A 72 10.004 43.572 15.497 1.00 25.38 H new ATOM 0 HG23 ILE A 72 10.715 43.586 16.912 1.00 25.38 H new ATOM 0 HD11 ILE A 72 12.963 47.015 17.178 1.00 30.56 H new ATOM 0 HD12 ILE A 72 12.246 47.042 15.766 1.00 30.56 H new ATOM 0 HD13 ILE A 72 11.468 46.511 17.039 1.00 30.56 H new ATOM 562 N GLY A 73 11.041 41.110 14.795 1.00 20.49 N ATOM 563 CA GLY A 73 10.154 40.264 14.014 1.00 19.87 C ATOM 564 C GLY A 73 9.447 39.148 14.760 1.00 18.72 C ATOM 565 O GLY A 73 9.582 39.009 15.973 1.00 16.87 O ATOM 0 H GLY A 73 11.102 40.908 15.629 1.00 20.49 H new ATOM 0 HA2 GLY A 73 9.480 40.829 13.604 1.00 19.87 H new ATOM 0 HA3 GLY A 73 10.669 39.868 13.294 1.00 19.87 H new ATOM 566 N THR A 74 8.671 38.361 14.022 1.00 17.46 N ATOM 567 CA THR A 74 7.933 37.242 14.593 1.00 16.86 C ATOM 568 C THR A 74 8.877 36.065 14.828 1.00 16.11 C ATOM 569 O THR A 74 9.791 35.821 14.044 1.00 15.54 O ATOM 570 CB THR A 74 6.783 36.794 13.651 1.00 17.64 C ATOM 571 OG1 THR A 74 5.763 37.800 13.630 1.00 16.63 O ATOM 572 CG2 THR A 74 6.176 35.481 14.121 1.00 17.76 C ATOM 0 H THR A 74 8.558 38.462 13.175 1.00 17.46 H new ATOM 0 HA THR A 74 7.550 37.533 15.435 1.00 16.86 H new ATOM 0 HB THR A 74 7.149 36.668 12.761 1.00 17.64 H new ATOM 0 HG1 THR A 74 5.131 37.569 14.133 1.00 16.63 H new ATOM 0 HG21 THR A 74 5.461 35.221 13.519 1.00 17.76 H new ATOM 0 HG22 THR A 74 6.859 34.792 14.128 1.00 17.76 H new ATOM 0 HG23 THR A 74 5.820 35.591 15.017 1.00 17.76 H new ATOM 573 N VAL A 75 8.670 35.356 15.931 1.00 15.56 N ATOM 574 CA VAL A 75 9.496 34.204 16.259 1.00 14.33 C ATOM 575 C VAL A 75 8.610 33.063 16.709 1.00 14.29 C ATOM 576 O VAL A 75 7.808 33.211 17.629 1.00 14.86 O ATOM 577 CB VAL A 75 10.501 34.529 17.376 1.00 14.57 C ATOM 578 CG1 VAL A 75 11.147 33.246 17.885 1.00 14.14 C ATOM 579 CG2 VAL A 75 11.576 35.505 16.845 1.00 15.13 C ATOM 0 H VAL A 75 8.053 35.527 16.505 1.00 15.56 H new ATOM 0 HA VAL A 75 9.993 33.956 15.464 1.00 14.33 H new ATOM 0 HB VAL A 75 10.034 34.952 18.114 1.00 14.57 H new ATOM 0 HG11 VAL A 75 11.779 33.459 18.589 1.00 14.14 H new ATOM 0 HG12 VAL A 75 10.462 32.655 18.234 1.00 14.14 H new ATOM 0 HG13 VAL A 75 11.612 32.806 17.156 1.00 14.14 H new ATOM 0 HG21 VAL A 75 12.208 35.707 17.553 1.00 15.13 H new ATOM 0 HG22 VAL A 75 12.045 35.096 16.101 1.00 15.13 H new ATOM 0 HG23 VAL A 75 11.151 36.325 16.548 1.00 15.13 H new ATOM 580 N LEU A 76 8.757 31.926 16.050 1.00 12.21 N ATOM 581 CA LEU A 76 7.971 30.751 16.383 1.00 13.25 C ATOM 582 C LEU A 76 8.868 29.860 17.222 1.00 12.54 C ATOM 583 O LEU A 76 10.045 29.680 16.909 1.00 12.52 O ATOM 584 CB LEU A 76 7.538 30.025 15.103 1.00 11.45 C ATOM 585 CG LEU A 76 6.897 30.913 14.018 1.00 12.47 C ATOM 586 CD1 LEU A 76 6.382 30.042 12.873 1.00 11.83 C ATOM 587 CD2 LEU A 76 5.746 31.716 14.605 1.00 11.21 C ATOM 0 H LEU A 76 9.311 31.813 15.402 1.00 12.21 H new ATOM 0 HA LEU A 76 7.165 30.989 16.867 1.00 13.25 H new ATOM 0 HB2 LEU A 76 8.314 29.585 14.722 1.00 11.45 H new ATOM 0 HB3 LEU A 76 6.907 29.329 15.343 1.00 11.45 H new ATOM 0 HG LEU A 76 7.569 31.526 13.681 1.00 12.47 H new ATOM 0 HD11 LEU A 76 5.980 30.605 12.193 1.00 11.83 H new ATOM 0 HD12 LEU A 76 7.120 29.546 12.486 1.00 11.83 H new ATOM 0 HD13 LEU A 76 5.718 29.421 13.212 1.00 11.83 H new ATOM 0 HD21 LEU A 76 5.352 32.270 13.913 1.00 11.21 H new ATOM 0 HD22 LEU A 76 5.074 31.110 14.956 1.00 11.21 H new ATOM 0 HD23 LEU A 76 6.077 32.281 15.321 1.00 11.21 H new ATOM 588 N VAL A 77 8.315 29.317 18.300 1.00 12.06 N ATOM 589 CA VAL A 77 9.073 28.453 19.196 1.00 9.70 C ATOM 590 C VAL A 77 8.391 27.096 19.243 1.00 9.98 C ATOM 591 O VAL A 77 7.183 27.004 19.453 1.00 8.29 O ATOM 592 CB VAL A 77 9.132 29.066 20.618 1.00 11.20 C ATOM 593 CG1 VAL A 77 9.969 28.192 21.537 1.00 9.05 C ATOM 594 CG2 VAL A 77 9.712 30.482 20.547 1.00 11.30 C ATOM 0 H VAL A 77 7.496 29.438 18.532 1.00 12.06 H new ATOM 0 HA VAL A 77 9.982 28.360 18.870 1.00 9.70 H new ATOM 0 HB VAL A 77 8.233 29.113 20.980 1.00 11.20 H new ATOM 0 HG11 VAL A 77 9.997 28.587 22.422 1.00 9.05 H new ATOM 0 HG12 VAL A 77 9.574 27.308 21.591 1.00 9.05 H new ATOM 0 HG13 VAL A 77 10.870 28.123 21.185 1.00 9.05 H new ATOM 0 HG21 VAL A 77 9.747 30.862 21.439 1.00 11.30 H new ATOM 0 HG22 VAL A 77 10.607 30.447 20.175 1.00 11.30 H new ATOM 0 HG23 VAL A 77 9.149 31.034 19.982 1.00 11.30 H new ATOM 595 N GLY A 78 9.166 26.041 19.022 1.00 10.70 N ATOM 596 CA GLY A 78 8.596 24.710 19.037 1.00 11.79 C ATOM 597 C GLY A 78 9.638 23.620 18.921 1.00 11.11 C ATOM 598 O GLY A 78 10.841 23.900 18.961 1.00 13.07 O ATOM 0 H GLY A 78 10.011 26.076 18.864 1.00 10.70 H new ATOM 0 HA2 GLY A 78 8.096 24.587 19.859 1.00 11.79 H new ATOM 0 HA3 GLY A 78 7.964 24.626 18.306 1.00 11.79 H new ATOM 599 N PRO A 79 9.206 22.361 18.772 1.00 12.19 N ATOM 600 CA PRO A 79 10.117 21.213 18.655 1.00 13.16 C ATOM 601 C PRO A 79 10.834 21.046 17.308 1.00 14.50 C ATOM 602 O PRO A 79 10.837 19.960 16.724 1.00 16.26 O ATOM 603 CB PRO A 79 9.214 20.029 18.993 1.00 12.29 C ATOM 604 CG PRO A 79 7.885 20.456 18.450 1.00 12.79 C ATOM 605 CD PRO A 79 7.798 21.924 18.823 1.00 10.47 C ATOM 0 HA PRO A 79 10.879 21.319 19.246 1.00 13.16 H new ATOM 0 HB2 PRO A 79 9.525 19.209 18.578 1.00 12.29 H new ATOM 0 HB3 PRO A 79 9.177 19.867 19.949 1.00 12.29 H new ATOM 0 HG2 PRO A 79 7.835 20.329 17.490 1.00 12.79 H new ATOM 0 HG3 PRO A 79 7.159 19.945 18.842 1.00 12.79 H new ATOM 0 HD2 PRO A 79 7.245 22.421 18.200 1.00 10.47 H new ATOM 0 HD3 PRO A 79 7.415 22.049 19.705 1.00 10.47 H new ATOM 606 N THR A 80 11.454 22.116 16.824 1.00 14.08 N ATOM 607 CA THR A 80 12.180 22.053 15.562 1.00 15.41 C ATOM 608 C THR A 80 13.545 21.428 15.812 1.00 15.67 C ATOM 609 O THR A 80 14.163 21.677 16.843 1.00 16.56 O ATOM 610 CB THR A 80 12.375 23.462 14.950 1.00 15.96 C ATOM 611 OG1 THR A 80 13.325 23.385 13.887 1.00 16.68 O ATOM 612 CG2 THR A 80 12.877 24.445 15.999 1.00 14.48 C ATOM 0 H THR A 80 11.467 22.885 17.209 1.00 14.08 H new ATOM 0 HA THR A 80 11.664 21.519 14.937 1.00 15.41 H new ATOM 0 HB THR A 80 11.520 23.775 14.616 1.00 15.96 H new ATOM 0 HG1 THR A 80 13.960 23.913 14.040 1.00 16.68 H new ATOM 0 HG21 THR A 80 12.992 25.319 15.595 1.00 14.48 H new ATOM 0 HG22 THR A 80 12.232 24.505 16.721 1.00 14.48 H new ATOM 0 HG23 THR A 80 13.727 24.137 16.350 1.00 14.48 H new ATOM 613 N PRO A 81 14.041 20.608 14.871 1.00 15.81 N ATOM 614 CA PRO A 81 15.353 19.987 15.085 1.00 15.28 C ATOM 615 C PRO A 81 16.527 20.947 14.923 1.00 15.42 C ATOM 616 O PRO A 81 17.651 20.611 15.268 1.00 17.23 O ATOM 617 CB PRO A 81 15.368 18.855 14.060 1.00 14.91 C ATOM 618 CG PRO A 81 14.572 19.427 12.932 1.00 15.57 C ATOM 619 CD PRO A 81 13.400 20.075 13.655 1.00 16.28 C ATOM 0 HA PRO A 81 15.466 19.679 15.998 1.00 15.28 H new ATOM 0 HB2 PRO A 81 16.270 18.628 13.786 1.00 14.91 H new ATOM 0 HB3 PRO A 81 14.966 18.045 14.411 1.00 14.91 H new ATOM 0 HG2 PRO A 81 15.083 20.073 12.420 1.00 15.57 H new ATOM 0 HG3 PRO A 81 14.280 18.741 12.312 1.00 15.57 H new ATOM 0 HD2 PRO A 81 12.990 20.776 13.125 1.00 16.28 H new ATOM 0 HD3 PRO A 81 12.703 19.433 13.864 1.00 16.28 H new ATOM 620 N VAL A 82 16.264 22.148 14.418 1.00 14.77 N ATOM 621 CA VAL A 82 17.319 23.138 14.221 1.00 14.31 C ATOM 622 C VAL A 82 16.748 24.549 14.368 1.00 13.76 C ATOM 623 O VAL A 82 15.579 24.781 14.054 1.00 12.91 O ATOM 624 CB VAL A 82 17.940 23.027 12.794 1.00 16.77 C ATOM 625 CG1 VAL A 82 19.072 24.051 12.638 1.00 17.08 C ATOM 626 CG2 VAL A 82 18.466 21.624 12.546 1.00 15.94 C ATOM 0 H VAL A 82 15.480 22.410 14.182 1.00 14.77 H new ATOM 0 HA VAL A 82 18.001 22.968 14.889 1.00 14.31 H new ATOM 0 HB VAL A 82 17.249 23.214 12.140 1.00 16.77 H new ATOM 0 HG11 VAL A 82 19.455 23.978 11.750 1.00 17.08 H new ATOM 0 HG12 VAL A 82 18.719 24.946 12.765 1.00 17.08 H new ATOM 0 HG13 VAL A 82 19.759 23.878 13.301 1.00 17.08 H new ATOM 0 HG21 VAL A 82 18.848 21.574 11.656 1.00 15.94 H new ATOM 0 HG22 VAL A 82 19.149 21.413 13.202 1.00 15.94 H new ATOM 0 HG23 VAL A 82 17.738 20.987 12.622 1.00 15.94 H new ATOM 627 N ASN A 83 17.559 25.483 14.860 1.00 13.35 N ATOM 628 CA ASN A 83 17.111 26.869 14.980 1.00 13.49 C ATOM 629 C ASN A 83 17.164 27.450 13.570 1.00 14.36 C ATOM 630 O ASN A 83 18.198 27.412 12.904 1.00 12.33 O ATOM 631 CB ASN A 83 18.017 27.689 15.896 1.00 11.81 C ATOM 632 CG ASN A 83 17.920 27.263 17.347 1.00 13.98 C ATOM 633 OD1 ASN A 83 16.833 26.928 17.841 1.00 11.51 O ATOM 634 ND2 ASN A 83 19.053 27.284 18.044 1.00 9.33 N ATOM 0 H ASN A 83 18.363 25.338 15.127 1.00 13.35 H new ATOM 0 HA ASN A 83 16.222 26.898 15.367 1.00 13.49 H new ATOM 0 HB2 ASN A 83 18.936 27.602 15.598 1.00 11.81 H new ATOM 0 HB3 ASN A 83 17.782 28.627 15.822 1.00 11.81 H new ATOM 0 HD21 ASN A 83 19.051 27.059 18.874 1.00 9.33 H new ATOM 0 HD22 ASN A 83 19.787 27.523 17.665 1.00 9.33 H new ATOM 635 N ILE A 84 16.043 27.985 13.117 1.00 14.07 N ATOM 636 CA ILE A 84 15.982 28.533 11.779 1.00 13.19 C ATOM 637 C ILE A 84 15.672 30.016 11.728 1.00 12.61 C ATOM 638 O ILE A 84 14.714 30.478 12.343 1.00 11.68 O ATOM 639 CB ILE A 84 14.915 27.799 10.960 1.00 14.68 C ATOM 640 CG1 ILE A 84 15.323 26.330 10.800 1.00 14.36 C ATOM 641 CG2 ILE A 84 14.701 28.512 9.619 1.00 12.65 C ATOM 642 CD1 ILE A 84 14.171 25.394 10.514 1.00 14.88 C ATOM 0 H ILE A 84 15.312 28.040 13.566 1.00 14.07 H new ATOM 0 HA ILE A 84 16.870 28.408 11.410 1.00 13.19 H new ATOM 0 HB ILE A 84 14.062 27.814 11.421 1.00 14.68 H new ATOM 0 HG12 ILE A 84 15.969 26.261 10.080 1.00 14.36 H new ATOM 0 HG13 ILE A 84 15.770 26.039 11.610 1.00 14.36 H new ATOM 0 HG21 ILE A 84 14.025 28.042 9.107 1.00 12.65 H new ATOM 0 HG22 ILE A 84 14.409 29.423 9.780 1.00 12.65 H new ATOM 0 HG23 ILE A 84 15.534 28.523 9.121 1.00 12.65 H new ATOM 0 HD11 ILE A 84 14.505 24.487 10.426 1.00 14.88 H new ATOM 0 HD12 ILE A 84 13.533 25.434 11.243 1.00 14.88 H new ATOM 0 HD13 ILE A 84 13.735 25.659 9.689 1.00 14.88 H new ATOM 643 N ILE A 85 16.501 30.758 10.999 1.00 11.36 N ATOM 644 CA ILE A 85 16.275 32.185 10.811 1.00 11.52 C ATOM 645 C ILE A 85 15.578 32.257 9.452 1.00 11.76 C ATOM 646 O ILE A 85 16.182 31.942 8.428 1.00 11.34 O ATOM 647 CB ILE A 85 17.598 32.975 10.755 1.00 10.11 C ATOM 648 CG1 ILE A 85 18.383 32.768 12.050 1.00 11.54 C ATOM 649 CG2 ILE A 85 17.323 34.458 10.556 1.00 11.04 C ATOM 650 CD1 ILE A 85 17.623 33.145 13.302 1.00 14.11 C ATOM 0 H ILE A 85 17.201 30.452 10.605 1.00 11.36 H new ATOM 0 HA ILE A 85 15.764 32.570 11.540 1.00 11.52 H new ATOM 0 HB ILE A 85 18.121 32.649 10.006 1.00 10.11 H new ATOM 0 HG12 ILE A 85 18.646 31.836 12.112 1.00 11.54 H new ATOM 0 HG13 ILE A 85 19.199 33.291 12.009 1.00 11.54 H new ATOM 0 HG21 ILE A 85 18.163 34.942 10.523 1.00 11.04 H new ATOM 0 HG22 ILE A 85 16.842 34.589 9.724 1.00 11.04 H new ATOM 0 HG23 ILE A 85 16.788 34.790 11.294 1.00 11.04 H new ATOM 0 HD11 ILE A 85 18.181 32.988 14.079 1.00 14.11 H new ATOM 0 HD12 ILE A 85 17.380 34.083 13.263 1.00 14.11 H new ATOM 0 HD13 ILE A 85 16.819 32.606 13.367 1.00 14.11 H new ATOM 651 N GLY A 86 14.307 32.658 9.454 1.00 12.64 N ATOM 652 CA GLY A 86 13.542 32.732 8.219 1.00 14.21 C ATOM 653 C GLY A 86 13.550 34.069 7.496 1.00 15.37 C ATOM 654 O GLY A 86 14.228 35.009 7.908 1.00 15.25 O ATOM 0 H GLY A 86 13.874 32.890 10.160 1.00 12.64 H new ATOM 0 HA2 GLY A 86 13.880 32.056 7.611 1.00 14.21 H new ATOM 0 HA3 GLY A 86 12.621 32.500 8.418 1.00 14.21 H new ATOM 655 N ARG A 87 12.779 34.150 6.413 1.00 13.36 N ATOM 656 CA ARG A 87 12.698 35.361 5.603 1.00 13.77 C ATOM 657 C ARG A 87 12.180 36.604 6.319 1.00 12.97 C ATOM 658 O ARG A 87 12.576 37.721 5.979 1.00 11.49 O ATOM 659 CB ARG A 87 11.835 35.115 4.347 1.00 10.75 C ATOM 660 CG ARG A 87 12.473 34.200 3.298 1.00 10.43 C ATOM 661 CD ARG A 87 11.687 34.182 1.961 1.00 9.54 C ATOM 662 NE ARG A 87 10.281 33.809 2.134 1.00 8.56 N ATOM 663 CZ ARG A 87 9.263 34.668 2.102 1.00 9.52 C ATOM 664 NH1 ARG A 87 8.024 34.236 2.279 1.00 11.51 N ATOM 665 NH2 ARG A 87 9.473 35.952 1.870 1.00 7.26 N ATOM 0 H ARG A 87 12.289 33.503 6.128 1.00 13.36 H new ATOM 0 HA ARG A 87 13.621 35.552 5.372 1.00 13.77 H new ATOM 0 HB2 ARG A 87 10.989 34.729 4.622 1.00 10.75 H new ATOM 0 HB3 ARG A 87 11.636 35.970 3.934 1.00 10.75 H new ATOM 0 HG2 ARG A 87 13.383 34.492 3.130 1.00 10.43 H new ATOM 0 HG3 ARG A 87 12.525 33.298 3.650 1.00 10.43 H new ATOM 0 HD2 ARG A 87 11.736 35.059 1.550 1.00 9.54 H new ATOM 0 HD3 ARG A 87 12.110 33.558 1.350 1.00 9.54 H new ATOM 0 HE ARG A 87 10.100 32.979 2.265 1.00 8.56 H new ATOM 0 HH11 ARG A 87 7.875 33.400 2.415 1.00 11.51 H new ATOM 0 HH12 ARG A 87 7.368 34.792 2.258 1.00 11.51 H new ATOM 0 HH21 ARG A 87 10.273 36.240 1.738 1.00 7.26 H new ATOM 0 HH22 ARG A 87 8.810 36.500 1.851 1.00 7.26 H new ATOM 666 N ASN A 88 11.302 36.437 7.308 1.00 15.06 N ATOM 667 CA ASN A 88 10.773 37.622 7.981 1.00 14.48 C ATOM 668 C ASN A 88 11.863 38.431 8.681 1.00 13.52 C ATOM 669 O ASN A 88 11.712 39.633 8.869 1.00 16.04 O ATOM 670 CB ASN A 88 9.651 37.250 8.956 1.00 16.14 C ATOM 671 CG ASN A 88 10.154 36.577 10.197 1.00 17.92 C ATOM 672 OD1 ASN A 88 10.775 35.513 10.140 1.00 17.70 O ATOM 673 ND2 ASN A 88 9.888 37.192 11.344 1.00 17.50 N ATOM 0 H ASN A 88 11.010 35.681 7.595 1.00 15.06 H new ATOM 0 HA ASN A 88 10.399 38.192 7.291 1.00 14.48 H new ATOM 0 HB2 ASN A 88 9.165 38.052 9.203 1.00 16.14 H new ATOM 0 HB3 ASN A 88 9.021 36.663 8.508 1.00 16.14 H new ATOM 0 HD21 ASN A 88 10.152 36.849 12.087 1.00 17.50 H new ATOM 0 HD22 ASN A 88 9.452 37.933 11.343 1.00 17.50 H new ATOM 674 N LEU A 89 12.967 37.788 9.046 1.00 12.29 N ATOM 675 CA LEU A 89 14.064 38.505 9.689 1.00 11.41 C ATOM 676 C LEU A 89 15.263 38.675 8.751 1.00 10.71 C ATOM 677 O LEU A 89 16.038 39.613 8.897 1.00 10.48 O ATOM 678 CB LEU A 89 14.482 37.804 10.993 1.00 12.92 C ATOM 679 CG LEU A 89 13.372 37.789 12.065 1.00 15.47 C ATOM 680 CD1 LEU A 89 13.899 37.230 13.393 1.00 15.33 C ATOM 681 CD2 LEU A 89 12.851 39.218 12.273 1.00 15.17 C ATOM 0 H LEU A 89 13.101 36.946 8.932 1.00 12.29 H new ATOM 0 HA LEU A 89 13.742 39.394 9.907 1.00 11.41 H new ATOM 0 HB2 LEU A 89 14.741 36.891 10.793 1.00 12.92 H new ATOM 0 HB3 LEU A 89 15.265 38.248 11.354 1.00 12.92 H new ATOM 0 HG LEU A 89 12.652 37.215 11.760 1.00 15.47 H new ATOM 0 HD11 LEU A 89 13.186 37.230 14.050 1.00 15.33 H new ATOM 0 HD12 LEU A 89 14.215 36.323 13.260 1.00 15.33 H new ATOM 0 HD13 LEU A 89 14.630 37.783 13.710 1.00 15.33 H new ATOM 0 HD21 LEU A 89 12.153 39.213 12.946 1.00 15.17 H new ATOM 0 HD22 LEU A 89 13.579 39.788 12.566 1.00 15.17 H new ATOM 0 HD23 LEU A 89 12.492 39.556 11.438 1.00 15.17 H new ATOM 682 N LEU A 90 15.417 37.780 7.778 1.00 11.45 N ATOM 683 CA LEU A 90 16.531 37.912 6.836 1.00 11.52 C ATOM 684 C LEU A 90 16.402 39.220 6.061 1.00 11.38 C ATOM 685 O LEU A 90 17.404 39.882 5.787 1.00 11.76 O ATOM 686 CB LEU A 90 16.581 36.715 5.869 1.00 11.97 C ATOM 687 CG LEU A 90 16.937 35.374 6.535 1.00 13.01 C ATOM 688 CD1 LEU A 90 16.938 34.251 5.502 1.00 13.35 C ATOM 689 CD2 LEU A 90 18.298 35.479 7.215 1.00 12.48 C ATOM 0 H LEU A 90 14.902 37.104 7.646 1.00 11.45 H new ATOM 0 HA LEU A 90 17.360 37.923 7.339 1.00 11.52 H new ATOM 0 HB2 LEU A 90 15.718 36.629 5.434 1.00 11.97 H new ATOM 0 HB3 LEU A 90 17.232 36.901 5.174 1.00 11.97 H new ATOM 0 HG LEU A 90 16.268 35.168 7.206 1.00 13.01 H new ATOM 0 HD11 LEU A 90 17.164 33.413 5.935 1.00 13.35 H new ATOM 0 HD12 LEU A 90 16.058 34.180 5.100 1.00 13.35 H new ATOM 0 HD13 LEU A 90 17.593 34.445 4.813 1.00 13.35 H new ATOM 0 HD21 LEU A 90 18.517 34.632 7.633 1.00 12.48 H new ATOM 0 HD22 LEU A 90 18.974 35.698 6.555 1.00 12.48 H new ATOM 0 HD23 LEU A 90 18.270 36.174 7.891 1.00 12.48 H new ATOM 690 N THR A 91 15.167 39.609 5.737 1.00 12.11 N ATOM 691 CA THR A 91 14.916 40.848 4.990 1.00 12.11 C ATOM 692 C THR A 91 15.401 42.074 5.760 1.00 12.75 C ATOM 693 O THR A 91 16.013 42.982 5.192 1.00 12.08 O ATOM 694 CB THR A 91 13.404 41.064 4.709 1.00 13.41 C ATOM 695 OG1 THR A 91 12.675 40.963 5.940 1.00 13.41 O ATOM 696 CG2 THR A 91 12.869 40.043 3.714 1.00 12.43 C ATOM 0 H THR A 91 14.457 39.168 5.941 1.00 12.11 H new ATOM 0 HA THR A 91 15.402 40.750 4.156 1.00 12.11 H new ATOM 0 HB THR A 91 13.290 41.946 4.322 1.00 13.41 H new ATOM 0 HG1 THR A 91 12.611 41.723 6.291 1.00 13.41 H new ATOM 0 HG21 THR A 91 11.925 40.205 3.560 1.00 12.43 H new ATOM 0 HG22 THR A 91 13.351 40.124 2.876 1.00 12.43 H new ATOM 0 HG23 THR A 91 12.990 39.149 4.071 1.00 12.43 H new ATOM 697 N GLN A 92 15.102 42.089 7.059 1.00 13.36 N ATOM 698 CA GLN A 92 15.470 43.180 7.945 1.00 11.28 C ATOM 699 C GLN A 92 16.972 43.419 8.014 1.00 12.82 C ATOM 700 O GLN A 92 17.413 44.523 8.324 1.00 13.05 O ATOM 701 CB GLN A 92 14.932 42.910 9.355 1.00 12.48 C ATOM 702 CG GLN A 92 13.409 42.738 9.448 1.00 10.36 C ATOM 703 CD GLN A 92 12.631 43.889 8.817 1.00 11.59 C ATOM 704 OE1 GLN A 92 12.190 43.803 7.670 1.00 13.66 O ATOM 705 NE2 GLN A 92 12.469 44.972 9.562 1.00 9.84 N ATOM 0 H GLN A 92 14.674 41.455 7.451 1.00 13.36 H new ATOM 0 HA GLN A 92 15.071 43.983 7.575 1.00 11.28 H new ATOM 0 HB2 GLN A 92 15.356 42.109 9.700 1.00 12.48 H new ATOM 0 HB3 GLN A 92 15.197 43.642 9.933 1.00 12.48 H new ATOM 0 HG2 GLN A 92 13.157 41.909 9.013 1.00 10.36 H new ATOM 0 HG3 GLN A 92 13.155 42.658 10.381 1.00 10.36 H new ATOM 0 HE21 GLN A 92 12.790 44.998 10.359 1.00 9.84 H new ATOM 0 HE22 GLN A 92 12.042 45.650 9.249 1.00 9.84 H new ATOM 706 N ILE A 93 17.770 42.394 7.751 1.00 14.46 N ATOM 707 CA ILE A 93 19.214 42.584 7.792 1.00 16.43 C ATOM 708 C ILE A 93 19.756 42.776 6.376 1.00 16.11 C ATOM 709 O ILE A 93 20.966 42.852 6.155 1.00 16.55 O ATOM 710 CB ILE A 93 19.927 41.403 8.495 1.00 16.24 C ATOM 711 CG1 ILE A 93 19.651 40.093 7.753 1.00 18.39 C ATOM 712 CG2 ILE A 93 19.441 41.295 9.935 1.00 17.00 C ATOM 713 CD1 ILE A 93 20.289 38.873 8.405 1.00 18.39 C ATOM 0 H ILE A 93 17.506 41.600 7.552 1.00 14.46 H new ATOM 0 HA ILE A 93 19.397 43.382 8.312 1.00 16.43 H new ATOM 0 HB ILE A 93 20.883 41.566 8.489 1.00 16.24 H new ATOM 0 HG12 ILE A 93 18.692 39.957 7.700 1.00 18.39 H new ATOM 0 HG13 ILE A 93 19.977 40.171 6.843 1.00 18.39 H new ATOM 0 HG21 ILE A 93 19.889 40.555 10.373 1.00 17.00 H new ATOM 0 HG22 ILE A 93 19.641 42.118 10.407 1.00 17.00 H new ATOM 0 HG23 ILE A 93 18.483 41.143 9.943 1.00 17.00 H new ATOM 0 HD11 ILE A 93 20.076 38.081 7.887 1.00 18.39 H new ATOM 0 HD12 ILE A 93 21.252 38.989 8.437 1.00 18.39 H new ATOM 0 HD13 ILE A 93 19.946 38.771 9.307 1.00 18.39 H new ATOM 714 N GLY A 94 18.843 42.860 5.415 1.00 17.13 N ATOM 715 CA GLY A 94 19.241 43.072 4.036 1.00 17.29 C ATOM 716 C GLY A 94 19.984 41.923 3.382 1.00 17.81 C ATOM 717 O GLY A 94 20.868 42.138 2.547 1.00 18.69 O ATOM 0 H GLY A 94 17.995 42.797 5.542 1.00 17.13 H new ATOM 0 HA2 GLY A 94 18.446 43.261 3.513 1.00 17.29 H new ATOM 0 HA3 GLY A 94 19.802 43.862 3.996 1.00 17.29 H new ATOM 718 N CYS A 95 19.602 40.703 3.741 1.00 17.44 N ATOM 719 CA CYS A 95 20.215 39.495 3.205 1.00 18.25 C ATOM 720 C CYS A 95 19.645 39.155 1.827 1.00 18.23 C ATOM 721 O CYS A 95 18.430 39.073 1.652 1.00 20.83 O ATOM 722 CB CYS A 95 19.972 38.333 4.172 1.00 18.90 C ATOM 723 SG CYS A 95 20.739 36.768 3.709 1.00 25.98 S ATOM 0 H CYS A 95 18.973 40.552 4.308 1.00 17.44 H new ATOM 0 HA CYS A 95 21.168 39.647 3.106 1.00 18.25 H new ATOM 0 HB2 CYS A 95 20.298 38.589 5.049 1.00 18.90 H new ATOM 0 HB3 CYS A 95 19.015 38.195 4.254 1.00 18.90 H new ATOM 0 HG CYS A 95 20.484 35.937 4.536 1.00 25.98 H new ATOM 724 N THR A 96 20.520 38.955 0.851 1.00 17.47 N ATOM 725 CA THR A 96 20.084 38.618 -0.503 1.00 18.07 C ATOM 726 C THR A 96 20.759 37.375 -1.070 1.00 18.12 C ATOM 727 O THR A 96 21.825 36.957 -0.616 1.00 17.34 O ATOM 728 CB THR A 96 20.377 39.741 -1.489 1.00 17.71 C ATOM 729 OG1 THR A 96 21.752 40.110 -1.373 1.00 17.75 O ATOM 730 CG2 THR A 96 19.481 40.955 -1.229 1.00 20.32 C ATOM 0 H THR A 96 21.373 39.009 0.949 1.00 17.47 H new ATOM 0 HA THR A 96 19.131 38.463 -0.408 1.00 18.07 H new ATOM 0 HB THR A 96 20.192 39.427 -2.388 1.00 17.71 H new ATOM 0 HG1 THR A 96 22.220 39.599 -1.847 1.00 17.75 H new ATOM 0 HG21 THR A 96 19.688 41.653 -1.869 1.00 20.32 H new ATOM 0 HG22 THR A 96 18.551 40.697 -1.322 1.00 20.32 H new ATOM 0 HG23 THR A 96 19.636 41.285 -0.330 1.00 20.32 H new ATOM 731 N LEU A 97 20.120 36.811 -2.090 1.00 17.43 N ATOM 732 CA LEU A 97 20.614 35.638 -2.789 1.00 18.31 C ATOM 733 C LEU A 97 21.294 36.142 -4.065 1.00 18.48 C ATOM 734 O LEU A 97 20.686 36.900 -4.837 1.00 18.46 O ATOM 735 CB LEU A 97 19.432 34.736 -3.154 1.00 20.65 C ATOM 736 CG LEU A 97 19.299 33.295 -2.663 1.00 21.07 C ATOM 737 CD1 LEU A 97 20.308 32.965 -1.594 1.00 21.87 C ATOM 738 CD2 LEU A 97 17.877 33.103 -2.164 1.00 21.59 C ATOM 0 H LEU A 97 19.374 37.107 -2.398 1.00 17.43 H new ATOM 0 HA LEU A 97 21.233 35.130 -2.242 1.00 18.31 H new ATOM 0 HB2 LEU A 97 18.632 35.200 -2.863 1.00 20.65 H new ATOM 0 HB3 LEU A 97 19.403 34.700 -4.123 1.00 20.65 H new ATOM 0 HG LEU A 97 19.482 32.685 -3.395 1.00 21.07 H new ATOM 0 HD11 LEU A 97 20.190 32.045 -1.311 1.00 21.87 H new ATOM 0 HD12 LEU A 97 21.204 33.082 -1.947 1.00 21.87 H new ATOM 0 HD13 LEU A 97 20.180 33.555 -0.835 1.00 21.87 H new ATOM 0 HD21 LEU A 97 17.766 32.194 -1.846 1.00 21.59 H new ATOM 0 HD22 LEU A 97 17.702 33.723 -1.439 1.00 21.59 H new ATOM 0 HD23 LEU A 97 17.254 33.270 -2.889 1.00 21.59 H new ATOM 739 N ASN A 98 22.538 35.728 -4.299 1.00 18.13 N ATOM 740 CA ASN A 98 23.256 36.165 -5.492 1.00 19.07 C ATOM 741 C ASN A 98 23.983 35.078 -6.270 1.00 18.80 C ATOM 742 O ASN A 98 24.598 34.182 -5.692 1.00 19.74 O ATOM 743 CB ASN A 98 24.281 37.245 -5.142 1.00 19.82 C ATOM 744 CG ASN A 98 23.691 38.367 -4.335 1.00 21.21 C ATOM 745 OD1 ASN A 98 23.487 38.231 -3.124 1.00 24.87 O ATOM 746 ND2 ASN A 98 23.400 39.485 -4.995 1.00 18.53 N ATOM 0 H ASN A 98 22.980 35.199 -3.784 1.00 18.13 H new ATOM 0 HA ASN A 98 22.550 36.496 -6.068 1.00 19.07 H new ATOM 0 HB2 ASN A 98 25.011 36.844 -4.645 1.00 19.82 H new ATOM 0 HB3 ASN A 98 24.659 37.604 -5.960 1.00 19.82 H new ATOM 0 HD21 ASN A 98 23.054 40.153 -4.578 1.00 18.53 H new ATOM 0 HD22 ASN A 98 23.558 39.540 -5.839 1.00 18.53 H new ATOM 747 N PHE A 99 23.910 35.184 -7.592 1.00 19.80 N ATOM 748 CA PHE A 99 24.575 34.265 -8.508 1.00 21.27 C ATOM 749 C PHE A 99 24.558 34.861 -9.920 1.00 21.98 C ATOM 750 O PHE A 99 24.044 35.986 -10.072 1.00 23.29 O ATOM 751 CB PHE A 99 23.901 32.880 -8.508 1.00 22.38 C ATOM 752 CG PHE A 99 22.442 32.896 -8.887 1.00 24.20 C ATOM 753 CD1 PHE A 99 21.468 33.235 -7.952 1.00 24.34 C ATOM 754 CD2 PHE A 99 22.042 32.559 -10.180 1.00 25.23 C ATOM 755 CE1 PHE A 99 20.114 33.238 -8.293 1.00 24.38 C ATOM 756 CE2 PHE A 99 20.686 32.558 -10.533 1.00 28.07 C ATOM 757 CZ PHE A 99 19.719 32.900 -9.583 1.00 26.32 C ATOM 758 OXT PHE A 99 25.069 34.216 -10.859 1.00 24.61 O ATOM 0 H PHE A 99 23.465 35.803 -7.989 1.00 19.80 H new ATOM 0 HA PHE A 99 25.491 34.144 -8.212 1.00 21.27 H new ATOM 0 HB2 PHE A 99 24.377 32.301 -9.123 1.00 22.38 H new ATOM 0 HB3 PHE A 99 23.990 32.489 -7.625 1.00 22.38 H new ATOM 0 HD1 PHE A 99 21.723 33.463 -7.087 1.00 24.34 H new ATOM 0 HD2 PHE A 99 22.683 32.332 -10.815 1.00 25.23 H new ATOM 0 HE1 PHE A 99 19.475 33.466 -7.657 1.00 24.38 H new ATOM 0 HE2 PHE A 99 20.430 32.330 -11.398 1.00 28.07 H new ATOM 0 HZ PHE A 99 18.818 32.901 -9.812 1.00 26.32 H new TER 759 PHE A 99 ATOM 760 N PRO B 1 21.696 37.062 -10.787 1.00 22.59 N ATOM 761 CA PRO B 1 20.823 38.176 -10.371 1.00 21.84 C ATOM 762 C PRO B 1 20.882 38.320 -8.859 1.00 21.85 C ATOM 763 O PRO B 1 21.499 37.506 -8.179 1.00 20.33 O ATOM 764 CB PRO B 1 19.422 37.808 -10.811 1.00 23.31 C ATOM 765 CG PRO B 1 19.470 36.289 -10.665 1.00 22.23 C ATOM 766 CD PRO B 1 20.874 35.902 -11.178 1.00 23.42 C ATOM 0 H2 PRO B 1 22.223 36.845 -10.143 1.00 22.59 H new ATOM 0 H3 PRO B 1 22.191 37.307 -11.446 1.00 22.59 H new ATOM 0 HA PRO B 1 21.098 39.019 -10.765 1.00 21.84 H new ATOM 0 HB2 PRO B 1 18.742 38.211 -10.249 1.00 23.31 H new ATOM 0 HB3 PRO B 1 19.237 38.085 -11.722 1.00 23.31 H new ATOM 0 HG2 PRO B 1 19.343 36.018 -9.742 1.00 22.23 H new ATOM 0 HG3 PRO B 1 18.772 35.861 -11.185 1.00 22.23 H new ATOM 0 HD2 PRO B 1 21.193 35.081 -10.770 1.00 23.42 H new ATOM 0 HD3 PRO B 1 20.881 35.763 -12.138 1.00 23.42 H new ATOM 767 N GLN B 2 20.251 39.365 -8.337 1.00 21.28 N ATOM 768 CA GLN B 2 20.217 39.575 -6.895 1.00 20.85 C ATOM 769 C GLN B 2 18.774 39.357 -6.483 1.00 20.88 C ATOM 770 O GLN B 2 17.859 39.980 -7.033 1.00 20.86 O ATOM 771 CB GLN B 2 20.661 40.990 -6.527 1.00 23.05 C ATOM 772 CG GLN B 2 20.797 41.211 -5.026 1.00 25.41 C ATOM 773 CD GLN B 2 21.496 42.514 -4.690 1.00 26.35 C ATOM 774 OE1 GLN B 2 22.654 42.415 -4.052 1.00 27.95 O flip ATOM 775 NE2 GLN B 2 21.004 43.595 -5.005 1.00 27.13 N flip ATOM 0 H GLN B 2 19.838 39.962 -8.798 1.00 21.28 H new ATOM 0 HA GLN B 2 20.823 38.968 -6.442 1.00 20.85 H new ATOM 0 HB2 GLN B 2 21.513 41.175 -6.953 1.00 23.05 H new ATOM 0 HB3 GLN B 2 20.021 41.626 -6.884 1.00 23.05 H new ATOM 0 HG2 GLN B 2 19.916 41.207 -4.621 1.00 25.41 H new ATOM 0 HG3 GLN B 2 21.292 40.473 -4.637 1.00 25.41 H new ATOM 0 HE21 GLN B 2 20.250 43.620 -5.419 1.00 27.13 H new ATOM 0 HE22 GLN B 2 21.413 44.326 -4.812 1.00 27.13 H new ATOM 776 N ILE B 3 18.563 38.464 -5.525 1.00 17.21 N ATOM 777 CA ILE B 3 17.212 38.175 -5.092 1.00 15.23 C ATOM 778 C ILE B 3 16.948 38.562 -3.640 1.00 15.16 C ATOM 779 O ILE B 3 17.596 38.065 -2.716 1.00 13.32 O ATOM 780 CB ILE B 3 16.890 36.680 -5.301 1.00 13.83 C ATOM 781 CG1 ILE B 3 17.204 36.290 -6.755 1.00 15.28 C ATOM 782 CG2 ILE B 3 15.419 36.413 -4.982 1.00 13.23 C ATOM 783 CD1 ILE B 3 16.937 34.828 -7.103 1.00 12.85 C ATOM 0 H ILE B 3 19.180 38.022 -5.120 1.00 17.21 H new ATOM 0 HA ILE B 3 16.627 38.721 -5.640 1.00 15.23 H new ATOM 0 HB ILE B 3 17.435 36.144 -4.704 1.00 13.83 H new ATOM 0 HG12 ILE B 3 16.678 36.850 -7.347 1.00 15.28 H new ATOM 0 HG13 ILE B 3 18.137 36.486 -6.934 1.00 15.28 H new ATOM 0 HG21 ILE B 3 15.224 35.472 -5.116 1.00 13.23 H new ATOM 0 HG22 ILE B 3 15.239 36.652 -4.059 1.00 13.23 H new ATOM 0 HG23 ILE B 3 14.859 36.945 -5.568 1.00 13.23 H new ATOM 0 HD11 ILE B 3 17.161 34.671 -8.034 1.00 12.85 H new ATOM 0 HD12 ILE B 3 17.481 34.256 -6.539 1.00 12.85 H new ATOM 0 HD13 ILE B 3 15.999 34.627 -6.958 1.00 12.85 H new ATOM 784 N THR B 4 15.995 39.470 -3.454 1.00 16.14 N ATOM 785 CA THR B 4 15.618 39.915 -2.124 1.00 15.38 C ATOM 786 C THR B 4 14.648 38.867 -1.603 1.00 14.62 C ATOM 787 O THR B 4 14.141 38.061 -2.382 1.00 14.05 O ATOM 788 CB THR B 4 14.942 41.281 -2.154 1.00 14.30 C ATOM 789 OG1 THR B 4 13.749 41.205 -2.936 1.00 16.48 O ATOM 790 CG2 THR B 4 15.882 42.320 -2.744 1.00 16.30 C ATOM 0 H THR B 4 15.554 39.841 -4.092 1.00 16.14 H new ATOM 0 HA THR B 4 16.401 40.010 -1.559 1.00 15.38 H new ATOM 0 HB THR B 4 14.718 41.544 -1.248 1.00 14.30 H new ATOM 0 HG1 THR B 4 13.949 41.055 -3.738 1.00 16.48 H new ATOM 0 HG21 THR B 4 15.442 43.184 -2.758 1.00 16.30 H new ATOM 0 HG22 THR B 4 16.685 42.375 -2.202 1.00 16.30 H new ATOM 0 HG23 THR B 4 16.120 42.064 -3.649 1.00 16.30 H new ATOM 791 N LEU B 5 14.366 38.904 -0.306 1.00 12.97 N ATOM 792 CA LEU B 5 13.522 37.895 0.325 1.00 13.82 C ATOM 793 C LEU B 5 12.152 38.312 0.853 1.00 13.22 C ATOM 794 O LEU B 5 11.592 37.626 1.715 1.00 12.60 O ATOM 795 CB LEU B 5 14.320 37.250 1.470 1.00 13.56 C ATOM 796 CG LEU B 5 15.707 36.744 1.073 1.00 13.91 C ATOM 797 CD1 LEU B 5 16.489 36.325 2.319 1.00 12.84 C ATOM 798 CD2 LEU B 5 15.564 35.577 0.092 1.00 14.19 C ATOM 0 H LEU B 5 14.656 39.510 0.231 1.00 12.97 H new ATOM 0 HA LEU B 5 13.301 37.292 -0.402 1.00 13.82 H new ATOM 0 HB2 LEU B 5 14.418 37.898 2.185 1.00 13.56 H new ATOM 0 HB3 LEU B 5 13.808 36.508 1.827 1.00 13.56 H new ATOM 0 HG LEU B 5 16.201 37.455 0.636 1.00 13.91 H new ATOM 0 HD11 LEU B 5 17.367 36.006 2.058 1.00 12.84 H new ATOM 0 HD12 LEU B 5 16.586 37.087 2.912 1.00 12.84 H new ATOM 0 HD13 LEU B 5 16.011 35.617 2.778 1.00 12.84 H new ATOM 0 HD21 LEU B 5 16.444 35.256 -0.160 1.00 14.19 H new ATOM 0 HD22 LEU B 5 15.067 34.859 0.514 1.00 14.19 H new ATOM 0 HD23 LEU B 5 15.091 35.876 -0.700 1.00 14.19 H new ATOM 799 N TRP B 6 11.607 39.419 0.360 1.00 13.12 N ATOM 800 CA TRP B 6 10.303 39.857 0.817 1.00 11.88 C ATOM 801 C TRP B 6 9.261 38.807 0.464 1.00 14.13 C ATOM 802 O TRP B 6 8.314 38.585 1.219 1.00 14.43 O ATOM 803 CB TRP B 6 9.973 41.223 0.218 1.00 12.27 C ATOM 804 CG TRP B 6 11.027 42.223 0.595 1.00 12.54 C ATOM 805 CD1 TRP B 6 12.103 42.606 -0.155 1.00 13.43 C ATOM 806 CD2 TRP B 6 11.189 42.849 1.877 1.00 12.02 C ATOM 807 NE1 TRP B 6 12.928 43.424 0.580 1.00 11.95 N ATOM 808 CE2 TRP B 6 12.391 43.588 1.832 1.00 12.66 C ATOM 809 CE3 TRP B 6 10.435 42.850 3.062 1.00 14.19 C ATOM 810 CZ2 TRP B 6 12.862 44.325 2.928 1.00 13.32 C ATOM 811 CZ3 TRP B 6 10.904 43.582 4.157 1.00 13.58 C ATOM 812 CH2 TRP B 6 12.109 44.310 4.077 1.00 13.63 C ATOM 0 H TRP B 6 11.974 39.923 -0.233 1.00 13.12 H new ATOM 0 HA TRP B 6 10.305 39.958 1.782 1.00 11.88 H new ATOM 0 HB2 TRP B 6 9.914 41.154 -0.748 1.00 12.27 H new ATOM 0 HB3 TRP B 6 9.106 41.522 0.535 1.00 12.27 H new ATOM 0 HD1 TRP B 6 12.255 42.350 -1.036 1.00 13.43 H new ATOM 0 HE1 TRP B 6 13.661 43.776 0.301 1.00 11.95 H new ATOM 0 HE3 TRP B 6 9.639 42.373 3.117 1.00 14.19 H new ATOM 0 HZ2 TRP B 6 13.656 44.807 2.879 1.00 13.32 H new ATOM 0 HZ3 TRP B 6 10.415 43.589 4.948 1.00 13.58 H new ATOM 0 HH2 TRP B 6 12.400 44.790 4.818 1.00 13.63 H new ATOM 813 N GLN B 7 9.456 38.145 -0.675 1.00 15.59 N ATOM 814 CA GLN B 7 8.565 37.073 -1.130 1.00 14.98 C ATOM 815 C GLN B 7 9.390 35.782 -1.145 1.00 13.49 C ATOM 816 O GLN B 7 10.596 35.819 -0.914 1.00 11.86 O ATOM 817 CB GLN B 7 8.059 37.348 -2.551 1.00 18.57 C ATOM 818 CG GLN B 7 7.091 38.506 -2.688 1.00 24.74 C ATOM 819 CD GLN B 7 6.349 38.481 -4.020 1.00 28.94 C ATOM 820 OE1 GLN B 7 6.944 38.662 -5.088 1.00 29.37 O ATOM 821 NE2 GLN B 7 5.038 38.243 -3.961 1.00 31.25 N ATOM 0 H GLN B 7 10.111 38.304 -1.209 1.00 15.59 H new ATOM 0 HA GLN B 7 7.797 37.009 -0.541 1.00 14.98 H new ATOM 0 HB2 GLN B 7 8.824 37.518 -3.123 1.00 18.57 H new ATOM 0 HB3 GLN B 7 7.628 36.546 -2.885 1.00 18.57 H new ATOM 0 HG2 GLN B 7 6.449 38.477 -1.961 1.00 24.74 H new ATOM 0 HG3 GLN B 7 7.576 39.342 -2.605 1.00 24.74 H new ATOM 0 HE21 GLN B 7 4.657 38.122 -3.200 1.00 31.25 H new ATOM 0 HE22 GLN B 7 4.574 38.211 -4.684 1.00 31.25 H new ATOM 822 N ARG B 8 8.751 34.645 -1.411 1.00 11.75 N ATOM 823 CA ARG B 8 9.480 33.383 -1.478 1.00 12.39 C ATOM 824 C ARG B 8 10.413 33.420 -2.698 1.00 11.78 C ATOM 825 O ARG B 8 10.006 33.814 -3.789 1.00 10.89 O ATOM 826 CB ARG B 8 8.508 32.203 -1.607 1.00 13.45 C ATOM 827 CG ARG B 8 7.850 31.800 -0.293 1.00 13.55 C ATOM 828 CD ARG B 8 6.770 30.741 -0.500 1.00 17.01 C ATOM 829 NE ARG B 8 6.227 30.286 0.778 1.00 17.00 N ATOM 830 CZ ARG B 8 5.370 29.280 0.909 1.00 19.74 C ATOM 831 NH1 ARG B 8 4.932 28.930 2.113 1.00 18.96 N ATOM 832 NH2 ARG B 8 4.946 28.626 -0.163 1.00 19.12 N ATOM 0 H ARG B 8 7.905 34.583 -1.554 1.00 11.75 H new ATOM 0 HA ARG B 8 9.994 33.266 -0.664 1.00 12.39 H new ATOM 0 HB2 ARG B 8 7.817 32.433 -2.248 1.00 13.45 H new ATOM 0 HB3 ARG B 8 8.986 31.439 -1.967 1.00 13.45 H new ATOM 0 HG2 ARG B 8 8.524 31.459 0.315 1.00 13.55 H new ATOM 0 HG3 ARG B 8 7.459 32.583 0.126 1.00 13.55 H new ATOM 0 HD2 ARG B 8 6.056 31.105 -1.047 1.00 17.01 H new ATOM 0 HD3 ARG B 8 7.141 29.987 -0.984 1.00 17.01 H new ATOM 0 HE ARG B 8 6.478 30.696 1.491 1.00 17.00 H new ATOM 0 HH11 ARG B 8 5.203 29.355 2.810 1.00 18.96 H new ATOM 0 HH12 ARG B 8 4.377 28.278 2.196 1.00 18.96 H new ATOM 0 HH21 ARG B 8 5.226 28.853 -0.944 1.00 19.12 H new ATOM 0 HH22 ARG B 8 4.391 27.975 -0.078 1.00 19.12 H new ATOM 833 N PRO B 9 11.680 33.019 -2.518 1.00 11.72 N ATOM 834 CA PRO B 9 12.644 33.020 -3.625 1.00 12.13 C ATOM 835 C PRO B 9 12.376 31.903 -4.628 1.00 12.74 C ATOM 836 O PRO B 9 13.175 30.984 -4.779 1.00 12.05 O ATOM 837 CB PRO B 9 13.983 32.877 -2.910 1.00 10.83 C ATOM 838 CG PRO B 9 13.627 32.065 -1.690 1.00 11.49 C ATOM 839 CD PRO B 9 12.342 32.688 -1.239 1.00 12.41 C ATOM 0 HA PRO B 9 12.600 33.820 -4.172 1.00 12.13 H new ATOM 0 HB2 PRO B 9 14.640 32.426 -3.463 1.00 10.83 H new ATOM 0 HB3 PRO B 9 14.357 33.739 -2.671 1.00 10.83 H new ATOM 0 HG2 PRO B 9 13.516 31.125 -1.903 1.00 11.49 H new ATOM 0 HG3 PRO B 9 14.314 32.122 -1.007 1.00 11.49 H new ATOM 0 HD2 PRO B 9 11.811 32.076 -0.706 1.00 12.41 H new ATOM 0 HD3 PRO B 9 12.494 33.478 -0.696 1.00 12.41 H new ATOM 840 N LEU B 10 11.238 31.998 -5.312 1.00 13.53 N ATOM 841 CA LEU B 10 10.839 30.999 -6.293 1.00 16.18 C ATOM 842 C LEU B 10 11.347 31.349 -7.693 1.00 17.04 C ATOM 843 O LEU B 10 11.224 32.488 -8.148 1.00 16.99 O ATOM 844 CB LEU B 10 9.308 30.877 -6.309 1.00 17.96 C ATOM 845 CG LEU B 10 8.629 30.379 -5.020 1.00 17.97 C ATOM 846 CD1 LEU B 10 7.177 30.837 -4.984 1.00 19.95 C ATOM 847 CD2 LEU B 10 8.703 28.860 -4.950 1.00 18.71 C ATOM 0 H LEU B 10 10.678 32.644 -5.219 1.00 13.53 H new ATOM 0 HA LEU B 10 11.235 30.151 -6.038 1.00 16.18 H new ATOM 0 HB2 LEU B 10 8.939 31.747 -6.526 1.00 17.96 H new ATOM 0 HB3 LEU B 10 9.062 30.277 -7.030 1.00 17.96 H new ATOM 0 HG LEU B 10 9.092 30.752 -4.254 1.00 17.97 H new ATOM 0 HD11 LEU B 10 6.757 30.519 -4.169 1.00 19.95 H new ATOM 0 HD12 LEU B 10 7.142 31.806 -5.008 1.00 19.95 H new ATOM 0 HD13 LEU B 10 6.705 30.478 -5.752 1.00 19.95 H new ATOM 0 HD21 LEU B 10 8.274 28.552 -4.136 1.00 18.71 H new ATOM 0 HD22 LEU B 10 8.250 28.478 -5.718 1.00 18.71 H new ATOM 0 HD23 LEU B 10 9.632 28.581 -4.951 1.00 18.71 H new ATOM 848 N VAL B 11 11.934 30.366 -8.370 1.00 16.75 N ATOM 849 CA VAL B 11 12.431 30.580 -9.719 1.00 16.48 C ATOM 850 C VAL B 11 11.956 29.459 -10.630 1.00 15.56 C ATOM 851 O VAL B 11 11.355 28.490 -10.171 1.00 15.59 O ATOM 852 CB VAL B 11 13.990 30.639 -9.764 1.00 16.70 C ATOM 853 CG1 VAL B 11 14.487 31.827 -8.952 1.00 14.43 C ATOM 854 CG2 VAL B 11 14.588 29.339 -9.238 1.00 17.00 C ATOM 0 H VAL B 11 12.053 29.571 -8.065 1.00 16.75 H new ATOM 0 HA VAL B 11 12.084 31.434 -10.022 1.00 16.48 H new ATOM 0 HB VAL B 11 14.274 30.751 -10.685 1.00 16.70 H new ATOM 0 HG11 VAL B 11 15.456 31.858 -8.984 1.00 14.43 H new ATOM 0 HG12 VAL B 11 14.125 32.647 -9.323 1.00 14.43 H new ATOM 0 HG13 VAL B 11 14.197 31.734 -8.031 1.00 14.43 H new ATOM 0 HG21 VAL B 11 15.556 29.391 -9.272 1.00 17.00 H new ATOM 0 HG22 VAL B 11 14.304 29.200 -8.321 1.00 17.00 H new ATOM 0 HG23 VAL B 11 14.285 28.598 -9.786 1.00 17.00 H new ATOM 855 N THR B 12 12.197 29.611 -11.926 1.00 14.72 N ATOM 856 CA THR B 12 11.829 28.579 -12.884 1.00 14.34 C ATOM 857 C THR B 12 13.039 27.671 -13.052 1.00 13.36 C ATOM 858 O THR B 12 14.172 28.151 -13.113 1.00 13.82 O ATOM 859 CB THR B 12 11.517 29.152 -14.286 1.00 15.62 C ATOM 860 OG1 THR B 12 10.426 30.075 -14.213 1.00 19.46 O ATOM 861 CG2 THR B 12 11.142 28.029 -15.230 1.00 16.19 C ATOM 0 H THR B 12 12.572 30.304 -12.271 1.00 14.72 H new ATOM 0 HA THR B 12 11.039 28.128 -12.549 1.00 14.34 H new ATOM 0 HB THR B 12 12.308 29.609 -14.613 1.00 15.62 H new ATOM 0 HG1 THR B 12 10.266 30.381 -14.979 1.00 19.46 H new ATOM 0 HG21 THR B 12 10.948 28.395 -16.107 1.00 16.19 H new ATOM 0 HG22 THR B 12 11.880 27.403 -15.297 1.00 16.19 H new ATOM 0 HG23 THR B 12 10.358 27.569 -14.891 1.00 16.19 H new ATOM 862 N ILE B 13 12.805 26.366 -13.116 1.00 11.11 N ATOM 863 CA ILE B 13 13.891 25.431 -13.324 1.00 11.67 C ATOM 864 C ILE B 13 13.455 24.560 -14.484 1.00 11.76 C ATOM 865 O ILE B 13 12.281 24.528 -14.838 1.00 12.38 O ATOM 866 CB ILE B 13 14.160 24.526 -12.085 1.00 11.32 C ATOM 867 CG1 ILE B 13 12.994 23.553 -11.861 1.00 9.70 C ATOM 868 CG2 ILE B 13 14.382 25.394 -10.854 1.00 10.54 C ATOM 869 CD1 ILE B 13 13.299 22.432 -10.855 1.00 11.78 C ATOM 0 H ILE B 13 12.027 26.007 -13.041 1.00 11.11 H new ATOM 0 HA ILE B 13 14.714 25.917 -13.489 1.00 11.67 H new ATOM 0 HB ILE B 13 14.959 24.000 -12.247 1.00 11.32 H new ATOM 0 HG12 ILE B 13 12.223 24.053 -11.550 1.00 9.70 H new ATOM 0 HG13 ILE B 13 12.750 23.154 -12.711 1.00 9.70 H new ATOM 0 HG21 ILE B 13 14.549 24.828 -10.084 1.00 10.54 H new ATOM 0 HG22 ILE B 13 15.146 25.974 -11.000 1.00 10.54 H new ATOM 0 HG23 ILE B 13 13.593 25.934 -10.692 1.00 10.54 H new ATOM 0 HD11 ILE B 13 12.522 21.859 -10.764 1.00 11.78 H new ATOM 0 HD12 ILE B 13 14.051 21.908 -11.172 1.00 11.78 H new ATOM 0 HD13 ILE B 13 13.516 22.821 -9.993 1.00 11.78 H new ATOM 870 N LYS B 14 14.399 23.865 -15.091 1.00 13.28 N ATOM 871 CA LYS B 14 14.057 22.987 -16.199 1.00 12.82 C ATOM 872 C LYS B 14 14.775 21.672 -16.009 1.00 11.96 C ATOM 873 O LYS B 14 15.997 21.635 -15.847 1.00 12.76 O ATOM 874 CB LYS B 14 14.455 23.605 -17.539 1.00 10.77 C ATOM 875 CG LYS B 14 14.216 22.663 -18.708 1.00 12.44 C ATOM 876 CD LYS B 14 14.424 23.329 -20.058 1.00 11.70 C ATOM 877 CE LYS B 14 15.865 23.730 -20.272 1.00 13.55 C ATOM 878 NZ LYS B 14 16.094 24.183 -21.669 1.00 15.87 N ATOM 0 H LYS B 14 15.233 23.884 -14.883 1.00 13.28 H new ATOM 0 HA LYS B 14 13.097 22.851 -16.210 1.00 12.82 H new ATOM 0 HB2 LYS B 14 13.951 24.422 -17.677 1.00 10.77 H new ATOM 0 HB3 LYS B 14 15.393 23.851 -17.512 1.00 10.77 H new ATOM 0 HG2 LYS B 14 14.814 21.903 -18.632 1.00 12.44 H new ATOM 0 HG3 LYS B 14 13.311 22.318 -18.659 1.00 12.44 H new ATOM 0 HD2 LYS B 14 14.149 22.722 -20.763 1.00 11.70 H new ATOM 0 HD3 LYS B 14 13.857 24.114 -20.122 1.00 11.70 H new ATOM 0 HE2 LYS B 14 16.101 24.441 -19.656 1.00 13.55 H new ATOM 0 HE3 LYS B 14 16.446 22.979 -20.073 1.00 13.55 H new ATOM 0 HZ1 LYS B 14 16.959 24.358 -21.787 1.00 15.87 H new ATOM 0 HZ2 LYS B 14 15.842 23.543 -22.234 1.00 15.87 H new ATOM 0 HZ3 LYS B 14 15.619 24.919 -21.824 1.00 15.87 H new ATOM 879 N ILE B 15 14.001 20.597 -16.026 1.00 12.81 N ATOM 880 CA ILE B 15 14.527 19.254 -15.858 1.00 14.25 C ATOM 881 C ILE B 15 13.689 18.340 -16.744 1.00 15.76 C ATOM 882 O ILE B 15 12.467 18.475 -16.809 1.00 14.18 O ATOM 883 CB ILE B 15 14.421 18.810 -14.382 1.00 15.10 C ATOM 884 CG1 ILE B 15 15.124 17.469 -14.175 1.00 15.95 C ATOM 885 CG2 ILE B 15 12.972 18.709 -13.983 1.00 15.59 C ATOM 886 CD1 ILE B 15 15.256 17.105 -12.707 1.00 19.71 C ATOM 0 H ILE B 15 13.149 20.628 -16.136 1.00 12.81 H new ATOM 0 HA ILE B 15 15.464 19.218 -16.105 1.00 14.25 H new ATOM 0 HB ILE B 15 14.857 19.472 -13.823 1.00 15.10 H new ATOM 0 HG12 ILE B 15 14.629 16.773 -14.635 1.00 15.95 H new ATOM 0 HG13 ILE B 15 16.006 17.503 -14.578 1.00 15.95 H new ATOM 0 HG21 ILE B 15 12.910 18.430 -13.056 1.00 15.59 H new ATOM 0 HG22 ILE B 15 12.546 19.574 -14.089 1.00 15.59 H new ATOM 0 HG23 ILE B 15 12.526 18.058 -14.547 1.00 15.59 H new ATOM 0 HD11 ILE B 15 15.706 16.250 -12.625 1.00 19.71 H new ATOM 0 HD12 ILE B 15 15.772 17.787 -12.249 1.00 19.71 H new ATOM 0 HD13 ILE B 15 14.374 17.045 -12.308 1.00 19.71 H new ATOM 887 N GLY B 16 14.348 17.416 -17.433 1.00 16.26 N ATOM 888 CA GLY B 16 13.628 16.529 -18.324 1.00 18.26 C ATOM 889 C GLY B 16 12.879 17.332 -19.378 1.00 17.58 C ATOM 890 O GLY B 16 11.815 16.925 -19.837 1.00 17.40 O ATOM 0 H GLY B 16 15.198 17.290 -17.398 1.00 16.26 H new ATOM 0 HA2 GLY B 16 14.248 15.919 -18.753 1.00 18.26 H new ATOM 0 HA3 GLY B 16 13.003 15.988 -17.816 1.00 18.26 H new ATOM 891 N GLY B 17 13.434 18.482 -19.750 1.00 18.26 N ATOM 892 CA GLY B 17 12.806 19.335 -20.750 1.00 18.43 C ATOM 893 C GLY B 17 11.543 20.037 -20.270 1.00 19.11 C ATOM 894 O GLY B 17 10.865 20.714 -21.043 1.00 19.97 O ATOM 0 H GLY B 17 14.174 18.785 -19.434 1.00 18.26 H new ATOM 0 HA2 GLY B 17 13.446 20.005 -21.037 1.00 18.43 H new ATOM 0 HA3 GLY B 17 12.589 18.798 -21.528 1.00 18.43 H new ATOM 895 N GLN B 18 11.225 19.892 -18.989 1.00 18.93 N ATOM 896 CA GLN B 18 10.025 20.510 -18.435 1.00 19.68 C ATOM 897 C GLN B 18 10.326 21.682 -17.513 1.00 18.96 C ATOM 898 O GLN B 18 11.243 21.620 -16.684 1.00 17.44 O ATOM 899 CB GLN B 18 9.209 19.474 -17.659 1.00 23.93 C ATOM 900 CG GLN B 18 8.773 18.274 -18.487 1.00 30.07 C ATOM 901 CD GLN B 18 8.059 17.236 -17.653 1.00 33.79 C ATOM 902 OE1 GLN B 18 8.636 16.668 -16.722 1.00 36.80 O ATOM 903 NE2 GLN B 18 6.792 16.980 -17.977 1.00 36.31 N ATOM 0 H GLN B 18 11.690 19.440 -18.424 1.00 18.93 H new ATOM 0 HA GLN B 18 9.523 20.851 -19.192 1.00 19.68 H new ATOM 0 HB2 GLN B 18 9.735 19.161 -16.907 1.00 23.93 H new ATOM 0 HB3 GLN B 18 8.421 19.906 -17.294 1.00 23.93 H new ATOM 0 HG2 GLN B 18 8.188 18.571 -19.201 1.00 30.07 H new ATOM 0 HG3 GLN B 18 9.550 17.872 -18.905 1.00 30.07 H new ATOM 0 HE21 GLN B 18 6.423 17.396 -18.633 1.00 36.31 H new ATOM 0 HE22 GLN B 18 6.343 16.398 -17.530 1.00 36.31 H new ATOM 904 N LEU B 19 9.541 22.745 -17.652 1.00 16.09 N ATOM 905 CA LEU B 19 9.707 23.915 -16.810 1.00 16.23 C ATOM 906 C LEU B 19 8.914 23.706 -15.521 1.00 17.15 C ATOM 907 O LEU B 19 7.770 23.249 -15.547 1.00 16.70 O ATOM 908 CB LEU B 19 9.204 25.181 -17.517 1.00 15.84 C ATOM 909 CG LEU B 19 9.939 25.691 -18.762 1.00 18.26 C ATOM 910 CD1 LEU B 19 9.391 27.065 -19.147 1.00 16.59 C ATOM 911 CD2 LEU B 19 11.426 25.793 -18.490 1.00 17.84 C ATOM 0 H LEU B 19 8.907 22.806 -18.230 1.00 16.09 H new ATOM 0 HA LEU B 19 10.650 24.031 -16.616 1.00 16.23 H new ATOM 0 HB2 LEU B 19 8.280 25.027 -17.768 1.00 15.84 H new ATOM 0 HB3 LEU B 19 9.205 25.899 -16.864 1.00 15.84 H new ATOM 0 HG LEU B 19 9.798 25.067 -19.491 1.00 18.26 H new ATOM 0 HD11 LEU B 19 9.855 27.390 -19.935 1.00 16.59 H new ATOM 0 HD12 LEU B 19 8.443 26.994 -19.337 1.00 16.59 H new ATOM 0 HD13 LEU B 19 9.527 27.685 -18.414 1.00 16.59 H new ATOM 0 HD21 LEU B 19 11.879 26.116 -19.284 1.00 17.84 H new ATOM 0 HD22 LEU B 19 11.580 26.410 -17.757 1.00 17.84 H new ATOM 0 HD23 LEU B 19 11.773 24.918 -18.254 1.00 17.84 H new ATOM 912 N LYS B 20 9.537 24.029 -14.396 1.00 17.21 N ATOM 913 CA LYS B 20 8.893 23.904 -13.091 1.00 16.89 C ATOM 914 C LYS B 20 9.283 25.109 -12.233 1.00 17.70 C ATOM 915 O LYS B 20 10.265 25.809 -12.516 1.00 18.85 O ATOM 916 CB LYS B 20 9.350 22.634 -12.374 1.00 17.20 C ATOM 917 CG LYS B 20 8.935 21.308 -12.995 1.00 18.55 C ATOM 918 CD LYS B 20 9.602 20.180 -12.218 1.00 19.00 C ATOM 919 CE LYS B 20 9.395 18.818 -12.851 1.00 21.03 C ATOM 920 NZ LYS B 20 7.998 18.350 -12.725 1.00 19.60 N ATOM 0 H LYS B 20 10.343 24.326 -14.365 1.00 17.21 H new ATOM 0 HA LYS B 20 7.933 23.863 -13.223 1.00 16.89 H new ATOM 0 HB2 LYS B 20 10.318 22.651 -12.317 1.00 17.20 H new ATOM 0 HB3 LYS B 20 9.011 22.661 -11.465 1.00 17.20 H new ATOM 0 HG2 LYS B 20 7.970 21.211 -12.969 1.00 18.55 H new ATOM 0 HG3 LYS B 20 9.198 21.276 -13.928 1.00 18.55 H new ATOM 0 HD2 LYS B 20 10.553 20.359 -12.152 1.00 19.00 H new ATOM 0 HD3 LYS B 20 9.252 20.167 -11.313 1.00 19.00 H new ATOM 0 HE2 LYS B 20 9.637 18.859 -13.789 1.00 21.03 H new ATOM 0 HE3 LYS B 20 9.989 18.175 -12.433 1.00 21.03 H new ATOM 0 HZ1 LYS B 20 7.917 17.550 -13.107 1.00 19.60 H new ATOM 0 HZ2 LYS B 20 7.781 18.290 -11.864 1.00 19.60 H new ATOM 0 HZ3 LYS B 20 7.454 18.927 -13.128 1.00 19.60 H new ATOM 921 N GLU B 21 8.509 25.342 -11.186 1.00 16.69 N ATOM 922 CA GLU B 21 8.773 26.426 -10.259 1.00 17.01 C ATOM 923 C GLU B 21 9.425 25.767 -9.056 1.00 15.61 C ATOM 924 O GLU B 21 8.945 24.746 -8.574 1.00 14.72 O ATOM 925 CB GLU B 21 7.466 27.095 -9.832 1.00 19.98 C ATOM 926 CG GLU B 21 7.664 28.306 -8.945 1.00 23.55 C ATOM 927 CD GLU B 21 6.357 28.961 -8.559 1.00 26.97 C ATOM 928 OE1 GLU B 21 5.568 28.330 -7.814 1.00 24.66 O ATOM 929 OE2 GLU B 21 6.122 30.106 -9.007 1.00 28.59 O ATOM 0 H GLU B 21 7.814 24.874 -10.993 1.00 16.69 H new ATOM 0 HA GLU B 21 9.333 27.111 -10.657 1.00 17.01 H new ATOM 0 HB2 GLU B 21 6.974 27.361 -10.625 1.00 19.98 H new ATOM 0 HB3 GLU B 21 6.918 26.446 -9.363 1.00 19.98 H new ATOM 0 HG2 GLU B 21 8.139 28.041 -8.142 1.00 23.55 H new ATOM 0 HG3 GLU B 21 8.223 28.952 -9.405 1.00 23.55 H new ATOM 930 N ALA B 22 10.516 26.346 -8.570 1.00 15.21 N ATOM 931 CA ALA B 22 11.204 25.770 -7.430 1.00 13.38 C ATOM 932 C ALA B 22 11.701 26.840 -6.473 1.00 12.48 C ATOM 933 O ALA B 22 11.858 28.000 -6.843 1.00 13.02 O ATOM 934 CB ALA B 22 12.359 24.895 -7.905 1.00 12.96 C ATOM 0 H ALA B 22 10.869 27.065 -8.883 1.00 15.21 H new ATOM 0 HA ALA B 22 10.569 25.221 -6.944 1.00 13.38 H new ATOM 0 HB1 ALA B 22 12.813 24.514 -7.137 1.00 12.96 H new ATOM 0 HB2 ALA B 22 12.015 24.181 -8.464 1.00 12.96 H new ATOM 0 HB3 ALA B 22 12.984 25.433 -8.416 1.00 12.96 H new ATOM 935 N LEU B 23 11.965 26.424 -5.239 1.00 11.58 N ATOM 936 CA LEU B 23 12.410 27.327 -4.189 1.00 10.43 C ATOM 937 C LEU B 23 13.904 27.301 -3.908 1.00 9.28 C ATOM 938 O LEU B 23 14.452 26.252 -3.595 1.00 10.87 O ATOM 939 CB LEU B 23 11.662 26.977 -2.905 1.00 10.43 C ATOM 940 CG LEU B 23 12.008 27.765 -1.653 1.00 12.99 C ATOM 941 CD1 LEU B 23 11.356 29.150 -1.724 1.00 14.21 C ATOM 942 CD2 LEU B 23 11.511 26.994 -0.440 1.00 13.09 C ATOM 0 H LEU B 23 11.890 25.605 -4.988 1.00 11.58 H new ATOM 0 HA LEU B 23 12.217 28.224 -4.504 1.00 10.43 H new ATOM 0 HB2 LEU B 23 10.713 27.084 -3.073 1.00 10.43 H new ATOM 0 HB3 LEU B 23 11.812 26.037 -2.718 1.00 10.43 H new ATOM 0 HG LEU B 23 12.968 27.884 -1.582 1.00 12.99 H new ATOM 0 HD11 LEU B 23 11.577 29.653 -0.925 1.00 14.21 H new ATOM 0 HD12 LEU B 23 11.685 29.623 -2.504 1.00 14.21 H new ATOM 0 HD13 LEU B 23 10.393 29.052 -1.788 1.00 14.21 H new ATOM 0 HD21 LEU B 23 11.726 27.487 0.367 1.00 13.09 H new ATOM 0 HD22 LEU B 23 10.550 26.878 -0.501 1.00 13.09 H new ATOM 0 HD23 LEU B 23 11.940 26.124 -0.411 1.00 13.09 H new ATOM 943 N LEU B 24 14.569 28.448 -4.011 1.00 9.50 N ATOM 944 CA LEU B 24 16.002 28.490 -3.710 1.00 10.60 C ATOM 945 C LEU B 24 16.037 28.424 -2.176 1.00 11.59 C ATOM 946 O LEU B 24 15.703 29.384 -1.489 1.00 12.81 O ATOM 947 CB LEU B 24 16.619 29.782 -4.251 1.00 9.63 C ATOM 948 CG LEU B 24 16.477 29.953 -5.779 1.00 11.62 C ATOM 949 CD1 LEU B 24 17.192 31.242 -6.233 1.00 7.97 C ATOM 950 CD2 LEU B 24 17.072 28.741 -6.505 1.00 10.17 C ATOM 0 H LEU B 24 14.222 29.198 -4.248 1.00 9.50 H new ATOM 0 HA LEU B 24 16.514 27.774 -4.118 1.00 10.60 H new ATOM 0 HB2 LEU B 24 16.202 30.538 -3.810 1.00 9.63 H new ATOM 0 HB3 LEU B 24 17.561 29.802 -4.019 1.00 9.63 H new ATOM 0 HG LEU B 24 15.535 30.019 -6.000 1.00 11.62 H new ATOM 0 HD11 LEU B 24 17.099 31.343 -7.193 1.00 7.97 H new ATOM 0 HD12 LEU B 24 16.795 32.007 -5.788 1.00 7.97 H new ATOM 0 HD13 LEU B 24 18.133 31.188 -6.004 1.00 7.97 H new ATOM 0 HD21 LEU B 24 16.977 28.859 -7.463 1.00 10.17 H new ATOM 0 HD22 LEU B 24 18.012 28.659 -6.281 1.00 10.17 H new ATOM 0 HD23 LEU B 24 16.603 27.937 -6.231 1.00 10.17 H new ATOM 951 N ASP B 25 16.444 27.272 -1.659 1.00 13.46 N ATOM 952 CA ASP B 25 16.436 26.983 -0.227 1.00 13.28 C ATOM 953 C ASP B 25 17.817 26.799 0.425 1.00 12.74 C ATOM 954 O ASP B 25 18.382 25.709 0.384 1.00 10.98 O ATOM 955 CB ASP B 25 15.612 25.707 -0.045 1.00 15.17 C ATOM 956 CG ASP B 25 15.069 25.541 1.354 1.00 13.57 C ATOM 957 OD1 ASP B 25 15.799 25.808 2.326 1.00 15.78 O ATOM 958 OD2 ASP B 25 13.902 25.125 1.471 1.00 14.60 O ATOM 0 H ASP B 25 16.739 26.622 -2.139 1.00 13.46 H new ATOM 0 HA ASP B 25 16.062 27.758 0.221 1.00 13.28 H new ATOM 0 HB2 ASP B 25 14.873 25.714 -0.673 1.00 15.17 H new ATOM 0 HB3 ASP B 25 16.163 24.940 -0.264 1.00 15.17 H new ATOM 959 N THR B 26 18.347 27.840 1.058 1.00 11.88 N ATOM 960 CA THR B 26 19.660 27.711 1.689 1.00 11.65 C ATOM 961 C THR B 26 19.680 26.835 2.957 1.00 10.53 C ATOM 962 O THR B 26 20.738 26.395 3.396 1.00 6.57 O ATOM 963 CB THR B 26 20.264 29.087 2.019 1.00 11.38 C ATOM 964 OG1 THR B 26 19.395 29.804 2.907 1.00 11.82 O ATOM 965 CG2 THR B 26 20.469 29.876 0.737 1.00 10.47 C ATOM 0 H THR B 26 17.976 28.612 1.134 1.00 11.88 H new ATOM 0 HA THR B 26 20.200 27.256 1.024 1.00 11.65 H new ATOM 0 HB THR B 26 21.121 28.963 2.455 1.00 11.38 H new ATOM 0 HG1 THR B 26 19.685 29.744 3.693 1.00 11.82 H new ATOM 0 HG21 THR B 26 20.850 30.743 0.948 1.00 10.47 H new ATOM 0 HG22 THR B 26 21.072 29.392 0.152 1.00 10.47 H new ATOM 0 HG23 THR B 26 19.616 29.998 0.292 1.00 10.47 H new ATOM 966 N GLY B 27 18.512 26.572 3.530 1.00 11.18 N ATOM 967 CA GLY B 27 18.465 25.741 4.727 1.00 11.63 C ATOM 968 C GLY B 27 18.349 24.261 4.406 1.00 13.22 C ATOM 969 O GLY B 27 18.387 23.408 5.288 1.00 15.67 O ATOM 0 H GLY B 27 17.751 26.857 3.250 1.00 11.18 H new ATOM 0 HA2 GLY B 27 19.265 25.893 5.254 1.00 11.63 H new ATOM 0 HA3 GLY B 27 17.710 26.010 5.274 1.00 11.63 H new ATOM 970 N ALA B 28 18.201 23.954 3.127 1.00 13.05 N ATOM 971 CA ALA B 28 18.094 22.591 2.674 1.00 12.12 C ATOM 972 C ALA B 28 19.453 22.091 2.189 1.00 11.94 C ATOM 973 O ALA B 28 20.067 22.699 1.315 1.00 11.15 O ATOM 974 CB ALA B 28 17.084 22.515 1.546 1.00 12.34 C ATOM 0 H ALA B 28 18.160 24.539 2.498 1.00 13.05 H new ATOM 0 HA ALA B 28 17.801 22.031 3.410 1.00 12.12 H new ATOM 0 HB1 ALA B 28 17.010 21.598 1.239 1.00 12.34 H new ATOM 0 HB2 ALA B 28 16.220 22.820 1.864 1.00 12.34 H new ATOM 0 HB3 ALA B 28 17.375 23.079 0.812 1.00 12.34 H new ATOM 975 N ASP B 29 19.921 20.982 2.750 1.00 11.58 N ATOM 976 CA ASP B 29 21.194 20.422 2.322 1.00 11.98 C ATOM 977 C ASP B 29 21.061 19.879 0.900 1.00 11.31 C ATOM 978 O ASP B 29 21.966 20.015 0.087 1.00 11.37 O ATOM 979 CB ASP B 29 21.615 19.257 3.222 1.00 11.94 C ATOM 980 CG ASP B 29 21.747 19.654 4.682 1.00 15.06 C ATOM 981 OD1 ASP B 29 22.062 20.834 4.970 1.00 12.43 O ATOM 982 OD2 ASP B 29 21.555 18.768 5.539 1.00 14.55 O ATOM 0 H ASP B 29 19.522 20.544 3.373 1.00 11.58 H new ATOM 0 HA ASP B 29 21.857 21.128 2.369 1.00 11.98 H new ATOM 0 HB2 ASP B 29 20.964 18.542 3.144 1.00 11.94 H new ATOM 0 HB3 ASP B 29 22.463 18.904 2.910 1.00 11.94 H new ATOM 983 N ASP B 30 19.916 19.265 0.616 1.00 11.86 N ATOM 984 CA ASP B 30 19.676 18.623 -0.676 1.00 12.83 C ATOM 985 C ASP B 30 18.518 19.174 -1.494 1.00 14.16 C ATOM 986 O ASP B 30 17.628 19.855 -0.974 1.00 13.66 O ATOM 987 CB ASP B 30 19.422 17.129 -0.458 1.00 13.48 C ATOM 988 CG ASP B 30 20.534 16.458 0.306 1.00 16.53 C ATOM 989 OD1 ASP B 30 21.692 16.527 -0.154 1.00 18.42 O ATOM 990 OD2 ASP B 30 20.252 15.868 1.373 1.00 19.30 O ATOM 0 H ASP B 30 19.257 19.208 1.165 1.00 11.86 H new ATOM 0 HA ASP B 30 20.478 18.807 -1.189 1.00 12.83 H new ATOM 0 HB2 ASP B 30 18.588 17.013 0.023 1.00 13.48 H new ATOM 0 HB3 ASP B 30 19.316 16.693 -1.318 1.00 13.48 H new ATOM 991 N THR B 31 18.531 18.835 -2.780 1.00 13.70 N ATOM 992 CA THR B 31 17.492 19.248 -3.713 1.00 13.24 C ATOM 993 C THR B 31 16.427 18.178 -3.628 1.00 13.82 C ATOM 994 O THR B 31 16.720 16.995 -3.764 1.00 14.79 O ATOM 995 CB THR B 31 18.050 19.337 -5.148 1.00 12.15 C ATOM 996 OG1 THR B 31 18.938 20.458 -5.223 1.00 13.34 O ATOM 997 CG2 THR B 31 16.936 19.521 -6.164 1.00 9.39 C ATOM 0 H THR B 31 19.149 18.355 -3.137 1.00 13.70 H new ATOM 0 HA THR B 31 17.143 20.126 -3.493 1.00 13.24 H new ATOM 0 HB THR B 31 18.514 18.510 -5.352 1.00 12.15 H new ATOM 0 HG1 THR B 31 19.648 20.282 -4.810 1.00 13.34 H new ATOM 0 HG21 THR B 31 17.316 19.574 -7.055 1.00 9.39 H new ATOM 0 HG22 THR B 31 16.327 18.768 -6.117 1.00 9.39 H new ATOM 0 HG23 THR B 31 16.453 20.339 -5.970 1.00 9.39 H new ATOM 998 N VAL B 32 15.191 18.595 -3.381 1.00 13.30 N ATOM 999 CA VAL B 32 14.090 17.662 -3.241 1.00 12.83 C ATOM 1000 C VAL B 32 12.967 18.103 -4.162 1.00 13.18 C ATOM 1001 O VAL B 32 12.453 19.221 -4.032 1.00 12.86 O ATOM 1002 CB VAL B 32 13.571 17.645 -1.783 1.00 14.30 C ATOM 1003 CG1 VAL B 32 12.539 16.533 -1.604 1.00 16.32 C ATOM 1004 CG2 VAL B 32 14.739 17.468 -0.823 1.00 13.44 C ATOM 0 H VAL B 32 14.971 19.422 -3.291 1.00 13.30 H new ATOM 0 HA VAL B 32 14.395 16.771 -3.472 1.00 12.83 H new ATOM 0 HB VAL B 32 13.138 18.490 -1.586 1.00 14.30 H new ATOM 0 HG11 VAL B 32 12.221 16.531 -0.688 1.00 16.32 H new ATOM 0 HG12 VAL B 32 11.793 16.684 -2.205 1.00 16.32 H new ATOM 0 HG13 VAL B 32 12.948 15.677 -1.806 1.00 16.32 H new ATOM 0 HG21 VAL B 32 14.410 17.458 0.089 1.00 13.44 H new ATOM 0 HG22 VAL B 32 15.190 16.630 -1.013 1.00 13.44 H new ATOM 0 HG23 VAL B 32 15.363 18.203 -0.933 1.00 13.44 H new ATOM 1005 N LEU B 33 12.583 17.231 -5.089 1.00 12.49 N ATOM 1006 CA LEU B 33 11.522 17.570 -6.035 1.00 13.15 C ATOM 1007 C LEU B 33 10.262 16.737 -5.874 1.00 12.29 C ATOM 1008 O LEU B 33 10.299 15.607 -5.384 1.00 10.48 O ATOM 1009 CB LEU B 33 12.030 17.424 -7.477 1.00 14.13 C ATOM 1010 CG LEU B 33 13.256 18.247 -7.884 1.00 13.27 C ATOM 1011 CD1 LEU B 33 13.468 18.097 -9.380 1.00 14.90 C ATOM 1012 CD2 LEU B 33 13.064 19.711 -7.543 1.00 12.37 C ATOM 0 H LEU B 33 12.919 16.446 -5.188 1.00 12.49 H new ATOM 0 HA LEU B 33 11.283 18.490 -5.840 1.00 13.15 H new ATOM 0 HB2 LEU B 33 12.235 16.488 -7.629 1.00 14.13 H new ATOM 0 HB3 LEU B 33 11.302 17.656 -8.075 1.00 14.13 H new ATOM 0 HG LEU B 33 14.030 17.923 -7.398 1.00 13.27 H new ATOM 0 HD11 LEU B 33 14.243 18.614 -9.651 1.00 14.90 H new ATOM 0 HD12 LEU B 33 13.613 17.162 -9.594 1.00 14.90 H new ATOM 0 HD13 LEU B 33 12.684 18.419 -9.852 1.00 14.90 H new ATOM 0 HD21 LEU B 33 13.851 20.211 -7.809 1.00 12.37 H new ATOM 0 HD22 LEU B 33 12.289 20.054 -8.014 1.00 12.37 H new ATOM 0 HD23 LEU B 33 12.929 19.806 -6.587 1.00 12.37 H new ATOM 1013 N GLU B 34 9.143 17.314 -6.300 1.00 13.86 N ATOM 1014 CA GLU B 34 7.850 16.645 -6.242 1.00 14.40 C ATOM 1015 C GLU B 34 7.851 15.470 -7.206 1.00 14.33 C ATOM 1016 O GLU B 34 8.556 15.481 -8.223 1.00 16.71 O ATOM 1017 CB GLU B 34 6.734 17.625 -6.610 1.00 16.14 C ATOM 1018 CG GLU B 34 6.463 18.663 -5.538 1.00 18.64 C ATOM 1019 CD GLU B 34 5.743 19.880 -6.069 1.00 17.71 C ATOM 1020 OE1 GLU B 34 4.815 19.725 -6.885 1.00 19.31 O ATOM 1021 OE2 GLU B 34 6.103 20.999 -5.658 1.00 19.86 O ATOM 0 H GLU B 34 9.113 18.107 -6.632 1.00 13.86 H new ATOM 0 HA GLU B 34 7.694 16.323 -5.340 1.00 14.40 H new ATOM 0 HB2 GLU B 34 6.969 18.077 -7.436 1.00 16.14 H new ATOM 0 HB3 GLU B 34 5.919 17.127 -6.781 1.00 16.14 H new ATOM 0 HG2 GLU B 34 5.933 18.262 -4.832 1.00 18.64 H new ATOM 0 HG3 GLU B 34 7.304 18.938 -5.140 1.00 18.64 H new ATOM 1022 N GLU B 35 7.058 14.459 -6.880 1.00 15.48 N ATOM 1023 CA GLU B 35 6.952 13.245 -7.683 1.00 16.66 C ATOM 1024 C GLU B 35 7.023 13.513 -9.185 1.00 17.50 C ATOM 1025 O GLU B 35 6.217 14.264 -9.730 1.00 18.07 O ATOM 1026 CB GLU B 35 5.648 12.516 -7.346 1.00 17.83 C ATOM 1027 CG GLU B 35 5.484 11.171 -8.040 1.00 20.63 C ATOM 1028 CD GLU B 35 6.681 10.259 -7.833 1.00 19.43 C ATOM 1029 OE1 GLU B 35 7.089 10.061 -6.677 1.00 20.21 O ATOM 1030 OE2 GLU B 35 7.211 9.736 -8.832 1.00 24.55 O ATOM 0 H GLU B 35 6.560 14.456 -6.179 1.00 15.48 H new ATOM 0 HA GLU B 35 7.716 12.691 -7.461 1.00 16.66 H new ATOM 0 HB2 GLU B 35 5.604 12.380 -6.387 1.00 17.83 H new ATOM 0 HB3 GLU B 35 4.900 13.085 -7.586 1.00 17.83 H new ATOM 0 HG2 GLU B 35 4.686 10.733 -7.705 1.00 20.63 H new ATOM 0 HG3 GLU B 35 5.351 11.315 -8.990 1.00 20.63 H new ATOM 1031 N MET B 36 7.996 12.892 -9.843 1.00 17.60 N ATOM 1032 CA MET B 36 8.183 13.045 -11.282 1.00 19.17 C ATOM 1033 C MET B 36 9.037 11.898 -11.817 1.00 21.77 C ATOM 1034 O MET B 36 9.655 11.152 -11.054 1.00 21.58 O ATOM 1035 CB MET B 36 8.881 14.369 -11.599 1.00 19.07 C ATOM 1036 CG MET B 36 10.337 14.407 -11.156 1.00 19.07 C ATOM 1037 SD MET B 36 11.192 15.891 -11.674 1.00 21.51 S ATOM 1038 CE MET B 36 11.360 15.580 -13.410 1.00 20.18 C ATOM 0 H MET B 36 8.567 12.370 -9.468 1.00 17.60 H new ATOM 0 HA MET B 36 7.310 13.036 -11.704 1.00 19.17 H new ATOM 0 HB2 MET B 36 8.837 14.530 -12.555 1.00 19.07 H new ATOM 0 HB3 MET B 36 8.400 15.092 -11.167 1.00 19.07 H new ATOM 0 HG2 MET B 36 10.377 14.338 -10.189 1.00 19.07 H new ATOM 0 HG3 MET B 36 10.799 13.633 -11.515 1.00 19.07 H new ATOM 0 HE1 MET B 36 12.257 15.815 -13.696 1.00 20.18 H new ATOM 0 HE2 MET B 36 11.200 14.640 -13.587 1.00 20.18 H new ATOM 0 HE3 MET B 36 10.715 16.115 -13.899 1.00 20.18 H new ATOM 1039 N SER B 37 9.084 11.774 -13.135 1.00 22.96 N ATOM 1040 CA SER B 37 9.861 10.719 -13.753 1.00 24.88 C ATOM 1041 C SER B 37 11.299 11.155 -14.022 1.00 23.71 C ATOM 1042 O SER B 37 11.548 12.220 -14.581 1.00 23.63 O ATOM 1043 CB SER B 37 9.151 10.229 -15.029 1.00 28.60 C ATOM 1044 OG SER B 37 9.415 10.746 -16.334 1.00 20.00 O ATOM 0 H SER B 37 8.673 12.290 -13.687 1.00 22.96 H new ATOM 0 HA SER B 37 9.920 9.974 -13.134 1.00 24.88 H new ATOM 0 HB2 SER B 37 9.310 9.273 -15.078 1.00 28.60 H new ATOM 0 HB3 SER B 37 8.201 10.351 -14.875 1.00 28.60 H new ATOM 0 HG SER B 37 9.114 11.528 -16.392 1.00 20.00 H new ATOM 1045 N LEU B 38 12.240 10.326 -13.596 1.00 22.32 N ATOM 1046 CA LEU B 38 13.653 10.587 -13.804 1.00 23.11 C ATOM 1047 C LEU B 38 14.262 9.297 -14.330 1.00 22.24 C ATOM 1048 O LEU B 38 13.818 8.205 -13.986 1.00 21.52 O ATOM 1049 CB LEU B 38 14.322 11.021 -12.493 1.00 23.08 C ATOM 1050 CG LEU B 38 13.837 12.379 -11.963 1.00 23.93 C ATOM 1051 CD1 LEU B 38 14.522 12.697 -10.641 1.00 25.46 C ATOM 1052 CD2 LEU B 38 14.135 13.471 -12.985 1.00 23.48 C ATOM 0 H LEU B 38 12.076 9.593 -13.177 1.00 22.32 H new ATOM 0 HA LEU B 38 13.786 11.310 -14.436 1.00 23.11 H new ATOM 0 HB2 LEU B 38 14.159 10.344 -11.818 1.00 23.08 H new ATOM 0 HB3 LEU B 38 15.282 11.061 -12.628 1.00 23.08 H new ATOM 0 HG LEU B 38 12.879 12.338 -11.817 1.00 23.93 H new ATOM 0 HD11 LEU B 38 14.211 13.555 -10.313 1.00 25.46 H new ATOM 0 HD12 LEU B 38 14.310 12.008 -9.992 1.00 25.46 H new ATOM 0 HD13 LEU B 38 15.482 12.731 -10.774 1.00 25.46 H new ATOM 0 HD21 LEU B 38 13.827 14.326 -12.645 1.00 23.48 H new ATOM 0 HD22 LEU B 38 15.091 13.513 -13.145 1.00 23.48 H new ATOM 0 HD23 LEU B 38 13.677 13.270 -13.816 1.00 23.48 H new ATOM 1053 N PRO B 39 15.276 9.405 -15.193 1.00 22.87 N ATOM 1054 CA PRO B 39 15.889 8.191 -15.732 1.00 23.00 C ATOM 1055 C PRO B 39 16.883 7.510 -14.797 1.00 22.63 C ATOM 1056 O PRO B 39 17.323 8.093 -13.804 1.00 22.69 O ATOM 1057 CB PRO B 39 16.544 8.690 -17.017 1.00 23.48 C ATOM 1058 CG PRO B 39 16.987 10.069 -16.632 1.00 23.26 C ATOM 1059 CD PRO B 39 15.784 10.606 -15.881 1.00 22.95 C ATOM 0 HA PRO B 39 15.234 7.489 -15.870 1.00 23.00 H new ATOM 0 HB2 PRO B 39 17.290 8.131 -17.284 1.00 23.48 H new ATOM 0 HB3 PRO B 39 15.920 8.704 -17.760 1.00 23.48 H new ATOM 0 HG2 PRO B 39 17.781 10.050 -16.075 1.00 23.26 H new ATOM 0 HG3 PRO B 39 17.198 10.610 -17.409 1.00 23.26 H new ATOM 0 HD2 PRO B 39 16.031 11.304 -15.254 1.00 22.95 H new ATOM 0 HD3 PRO B 39 15.123 10.985 -16.481 1.00 22.95 H new ATOM 1060 N GLY B 40 17.219 6.266 -15.129 1.00 21.42 N ATOM 1061 CA GLY B 40 18.180 5.509 -14.352 1.00 19.80 C ATOM 1062 C GLY B 40 17.665 4.849 -13.091 1.00 19.20 C ATOM 1063 O GLY B 40 16.462 4.806 -12.823 1.00 20.51 O ATOM 0 H GLY B 40 16.897 5.845 -15.806 1.00 21.42 H new ATOM 0 HA2 GLY B 40 18.556 4.820 -14.923 1.00 19.80 H new ATOM 0 HA3 GLY B 40 18.907 6.103 -14.108 1.00 19.80 H new ATOM 1064 N ARG B 41 18.601 4.319 -12.313 1.00 17.69 N ATOM 1065 CA ARG B 41 18.283 3.661 -11.063 1.00 16.27 C ATOM 1066 C ARG B 41 18.317 4.704 -9.958 1.00 17.03 C ATOM 1067 O ARG B 41 18.937 5.755 -10.108 1.00 16.93 O ATOM 1068 CB ARG B 41 19.310 2.564 -10.768 1.00 15.66 C ATOM 1069 CG ARG B 41 19.213 1.345 -11.683 1.00 17.15 C ATOM 1070 CD ARG B 41 20.317 0.330 -11.388 1.00 16.86 C ATOM 1071 NE ARG B 41 20.243 -0.232 -10.037 1.00 14.89 N ATOM 1072 CZ ARG B 41 19.339 -1.124 -9.642 1.00 15.72 C ATOM 1073 NH1 ARG B 41 18.416 -1.570 -10.489 1.00 13.55 N ATOM 1074 NH2 ARG B 41 19.364 -1.582 -8.400 1.00 13.94 N ATOM 0 H ARG B 41 19.440 4.333 -12.500 1.00 17.69 H new ATOM 0 HA ARG B 41 17.405 3.253 -11.117 1.00 16.27 H new ATOM 0 HB2 ARG B 41 20.200 2.941 -10.844 1.00 15.66 H new ATOM 0 HB3 ARG B 41 19.202 2.274 -9.849 1.00 15.66 H new ATOM 0 HG2 ARG B 41 18.347 0.923 -11.571 1.00 17.15 H new ATOM 0 HG3 ARG B 41 19.272 1.629 -12.609 1.00 17.15 H new ATOM 0 HD2 ARG B 41 20.266 -0.391 -12.035 1.00 16.86 H new ATOM 0 HD3 ARG B 41 21.180 0.757 -11.507 1.00 16.86 H new ATOM 0 HE ARG B 41 20.823 0.033 -9.460 1.00 14.89 H new ATOM 0 HH11 ARG B 41 18.401 -1.282 -11.299 1.00 13.55 H new ATOM 0 HH12 ARG B 41 17.835 -2.147 -10.227 1.00 13.55 H new ATOM 0 HH21 ARG B 41 19.964 -1.303 -7.851 1.00 13.94 H new ATOM 0 HH22 ARG B 41 18.780 -2.159 -8.143 1.00 13.94 H new ATOM 1075 N TRP B 42 17.635 4.433 -8.855 1.00 15.69 N ATOM 1076 CA TRP B 42 17.660 5.367 -7.746 1.00 15.54 C ATOM 1077 C TRP B 42 18.116 4.620 -6.506 1.00 14.75 C ATOM 1078 O TRP B 42 18.005 3.405 -6.446 1.00 12.59 O ATOM 1079 CB TRP B 42 16.285 6.001 -7.518 1.00 15.90 C ATOM 1080 CG TRP B 42 15.146 5.033 -7.330 1.00 15.13 C ATOM 1081 CD1 TRP B 42 14.429 4.399 -8.310 1.00 16.10 C ATOM 1082 CD2 TRP B 42 14.566 4.632 -6.087 1.00 15.90 C ATOM 1083 NE1 TRP B 42 13.435 3.631 -7.751 1.00 14.85 N ATOM 1084 CE2 TRP B 42 13.498 3.755 -6.386 1.00 15.51 C ATOM 1085 CE3 TRP B 42 14.844 4.932 -4.745 1.00 15.81 C ATOM 1086 CZ2 TRP B 42 12.706 3.174 -5.392 1.00 14.43 C ATOM 1087 CZ3 TRP B 42 14.058 4.357 -3.757 1.00 16.32 C ATOM 1088 CH2 TRP B 42 12.999 3.486 -4.087 1.00 16.12 C ATOM 0 H TRP B 42 17.160 3.727 -8.731 1.00 15.69 H new ATOM 0 HA TRP B 42 18.275 6.090 -7.947 1.00 15.54 H new ATOM 0 HB2 TRP B 42 16.336 6.572 -6.736 1.00 15.90 H new ATOM 0 HB3 TRP B 42 16.081 6.573 -8.274 1.00 15.90 H new ATOM 0 HD1 TRP B 42 14.591 4.477 -9.222 1.00 16.10 H new ATOM 0 HE1 TRP B 42 12.868 3.152 -8.185 1.00 14.85 H new ATOM 0 HE3 TRP B 42 15.542 5.505 -4.522 1.00 15.81 H new ATOM 0 HZ2 TRP B 42 12.008 2.598 -5.606 1.00 14.43 H new ATOM 0 HZ3 TRP B 42 14.232 4.549 -2.864 1.00 16.32 H new ATOM 0 HH2 TRP B 42 12.487 3.114 -3.405 1.00 16.12 H new ATOM 1089 N LYS B 43 18.653 5.361 -5.542 1.00 15.88 N ATOM 1090 CA LYS B 43 19.140 4.805 -4.280 1.00 18.00 C ATOM 1091 C LYS B 43 18.203 5.288 -3.183 1.00 16.20 C ATOM 1092 O LYS B 43 17.494 6.276 -3.355 1.00 16.33 O ATOM 1093 CB LYS B 43 20.549 5.333 -3.963 1.00 20.14 C ATOM 1094 CG LYS B 43 21.615 4.972 -4.982 1.00 26.13 C ATOM 1095 CD LYS B 43 22.862 5.846 -4.821 1.00 26.91 C ATOM 1096 CE LYS B 43 23.591 5.564 -3.518 1.00 28.46 C ATOM 1097 NZ LYS B 43 24.129 4.172 -3.474 1.00 28.28 N ATOM 0 H LYS B 43 18.747 6.214 -5.602 1.00 15.88 H new ATOM 0 HA LYS B 43 19.170 3.837 -4.340 1.00 18.00 H new ATOM 0 HB2 LYS B 43 20.508 6.299 -3.887 1.00 20.14 H new ATOM 0 HB3 LYS B 43 20.820 4.991 -3.097 1.00 20.14 H new ATOM 0 HG2 LYS B 43 21.858 4.038 -4.882 1.00 26.13 H new ATOM 0 HG3 LYS B 43 21.258 5.078 -5.878 1.00 26.13 H new ATOM 0 HD2 LYS B 43 23.463 5.691 -5.567 1.00 26.91 H new ATOM 0 HD3 LYS B 43 22.607 6.781 -4.852 1.00 26.91 H new ATOM 0 HE2 LYS B 43 24.319 6.196 -3.411 1.00 28.46 H new ATOM 0 HE3 LYS B 43 22.986 5.701 -2.772 1.00 28.46 H new ATOM 0 HZ1 LYS B 43 24.713 4.100 -2.806 1.00 28.28 H new ATOM 0 HZ2 LYS B 43 23.460 3.599 -3.346 1.00 28.28 H new ATOM 0 HZ3 LYS B 43 24.535 3.986 -4.244 1.00 28.28 H new ATOM 1098 N PRO B 44 18.181 4.594 -2.042 1.00 16.49 N ATOM 1099 CA PRO B 44 17.305 5.022 -0.952 1.00 16.01 C ATOM 1100 C PRO B 44 18.065 6.053 -0.122 1.00 15.93 C ATOM 1101 O PRO B 44 19.295 6.034 -0.087 1.00 14.28 O ATOM 1102 CB PRO B 44 17.079 3.731 -0.184 1.00 15.21 C ATOM 1103 CG PRO B 44 18.438 3.105 -0.248 1.00 15.87 C ATOM 1104 CD PRO B 44 18.854 3.325 -1.705 1.00 15.53 C ATOM 0 HA PRO B 44 16.469 5.434 -1.220 1.00 16.01 H new ATOM 0 HB2 PRO B 44 16.795 3.894 0.729 1.00 15.21 H new ATOM 0 HB3 PRO B 44 16.401 3.174 -0.597 1.00 15.21 H new ATOM 0 HG2 PRO B 44 19.056 3.526 0.369 1.00 15.87 H new ATOM 0 HG3 PRO B 44 18.410 2.162 -0.022 1.00 15.87 H new ATOM 0 HD2 PRO B 44 19.817 3.391 -1.799 1.00 15.53 H new ATOM 0 HD3 PRO B 44 18.562 2.598 -2.277 1.00 15.53 H new ATOM 1105 N LYS B 45 17.342 6.961 0.526 1.00 17.56 N ATOM 1106 CA LYS B 45 17.979 7.962 1.373 1.00 18.43 C ATOM 1107 C LYS B 45 16.993 8.567 2.360 1.00 18.28 C ATOM 1108 O LYS B 45 15.797 8.628 2.102 1.00 16.60 O ATOM 1109 CB LYS B 45 18.608 9.083 0.543 1.00 19.36 C ATOM 1110 CG LYS B 45 19.547 9.978 1.367 1.00 22.03 C ATOM 1111 CD LYS B 45 19.931 11.249 0.621 1.00 23.88 C ATOM 1112 CE LYS B 45 21.125 11.949 1.264 1.00 23.86 C ATOM 1113 NZ LYS B 45 20.874 12.316 2.676 1.00 27.11 N ATOM 0 H LYS B 45 16.484 7.014 0.489 1.00 17.56 H new ATOM 0 HA LYS B 45 18.678 7.502 1.864 1.00 18.43 H new ATOM 0 HB2 LYS B 45 19.103 8.695 -0.195 1.00 19.36 H new ATOM 0 HB3 LYS B 45 17.904 9.628 0.157 1.00 19.36 H new ATOM 0 HG2 LYS B 45 19.116 10.213 2.203 1.00 22.03 H new ATOM 0 HG3 LYS B 45 20.350 9.482 1.592 1.00 22.03 H new ATOM 0 HD2 LYS B 45 20.142 11.031 -0.300 1.00 23.88 H new ATOM 0 HD3 LYS B 45 19.173 11.854 0.603 1.00 23.88 H new ATOM 0 HE2 LYS B 45 21.900 11.368 1.217 1.00 23.86 H new ATOM 0 HE3 LYS B 45 21.338 12.749 0.758 1.00 23.86 H new ATOM 0 HZ1 LYS B 45 21.256 13.100 2.852 1.00 27.11 H new ATOM 0 HZ2 LYS B 45 19.997 12.376 2.816 1.00 27.11 H new ATOM 0 HZ3 LYS B 45 21.218 11.693 3.211 1.00 27.11 H new ATOM 1114 N MET B 46 17.520 9.007 3.494 1.00 18.47 N ATOM 1115 CA MET B 46 16.714 9.614 4.543 1.00 20.67 C ATOM 1116 C MET B 46 17.095 11.073 4.668 1.00 19.19 C ATOM 1117 O MET B 46 18.273 11.416 4.675 1.00 21.22 O ATOM 1118 CB MET B 46 16.986 8.962 5.907 1.00 23.10 C ATOM 1119 CG MET B 46 16.735 7.468 6.019 1.00 28.14 C ATOM 1120 SD MET B 46 15.013 7.027 5.862 1.00 31.86 S ATOM 1121 CE MET B 46 15.037 6.303 4.241 1.00 34.02 C ATOM 0 H MET B 46 18.359 8.962 3.678 1.00 18.47 H new ATOM 0 HA MET B 46 15.781 9.497 4.306 1.00 20.67 H new ATOM 0 HB2 MET B 46 17.912 9.131 6.143 1.00 23.10 H new ATOM 0 HB3 MET B 46 16.438 9.410 6.570 1.00 23.10 H new ATOM 0 HG2 MET B 46 17.244 7.009 5.333 1.00 28.14 H new ATOM 0 HG3 MET B 46 17.066 7.154 6.875 1.00 28.14 H new ATOM 0 HE1 MET B 46 14.529 6.860 3.630 1.00 34.02 H new ATOM 0 HE2 MET B 46 15.953 6.236 3.930 1.00 34.02 H new ATOM 0 HE3 MET B 46 14.642 5.418 4.276 1.00 34.02 H new ATOM 1122 N ILE B 47 16.099 11.938 4.754 1.00 19.18 N ATOM 1123 CA ILE B 47 16.372 13.348 4.964 1.00 17.14 C ATOM 1124 C ILE B 47 15.509 13.783 6.138 1.00 16.16 C ATOM 1125 O ILE B 47 14.342 13.400 6.247 1.00 15.76 O ATOM 1126 CB ILE B 47 16.062 14.222 3.726 1.00 17.94 C ATOM 1127 CG1 ILE B 47 14.656 13.951 3.215 1.00 15.95 C ATOM 1128 CG2 ILE B 47 17.120 13.981 2.637 1.00 18.96 C ATOM 1129 CD1 ILE B 47 14.224 14.945 2.166 1.00 17.61 C ATOM 0 H ILE B 47 15.266 11.733 4.694 1.00 19.18 H new ATOM 0 HA ILE B 47 17.319 13.467 5.135 1.00 17.14 H new ATOM 0 HB ILE B 47 16.100 15.157 3.980 1.00 17.94 H new ATOM 0 HG12 ILE B 47 14.616 13.056 2.844 1.00 15.95 H new ATOM 0 HG13 ILE B 47 14.034 13.978 3.958 1.00 15.95 H new ATOM 0 HG21 ILE B 47 16.920 14.532 1.864 1.00 18.96 H new ATOM 0 HG22 ILE B 47 17.997 14.213 2.981 1.00 18.96 H new ATOM 0 HG23 ILE B 47 17.111 13.046 2.378 1.00 18.96 H new ATOM 0 HD11 ILE B 47 13.325 14.734 1.871 1.00 17.61 H new ATOM 0 HD12 ILE B 47 14.239 15.839 2.542 1.00 17.61 H new ATOM 0 HD13 ILE B 47 14.831 14.902 1.410 1.00 17.61 H new ATOM 1130 N GLY B 48 16.104 14.553 7.034 1.00 15.96 N ATOM 1131 CA GLY B 48 15.380 15.027 8.192 1.00 15.13 C ATOM 1132 C GLY B 48 14.810 16.410 7.953 1.00 15.72 C ATOM 1133 O GLY B 48 15.545 17.341 7.606 1.00 13.83 O ATOM 0 H GLY B 48 16.923 14.810 6.988 1.00 15.96 H new ATOM 0 HA2 GLY B 48 14.662 14.410 8.402 1.00 15.13 H new ATOM 0 HA3 GLY B 48 15.971 15.046 8.961 1.00 15.13 H new ATOM 1134 N GLY B 49 13.495 16.533 8.120 1.00 14.91 N ATOM 1135 CA GLY B 49 12.830 17.810 7.942 1.00 14.87 C ATOM 1136 C GLY B 49 12.257 18.339 9.248 1.00 14.90 C ATOM 1137 O GLY B 49 12.519 17.800 10.318 1.00 13.88 O ATOM 0 H GLY B 49 12.973 15.885 8.337 1.00 14.91 H new ATOM 0 HA2 GLY B 49 13.459 18.454 7.581 1.00 14.87 H new ATOM 0 HA3 GLY B 49 12.117 17.715 7.292 1.00 14.87 H new ATOM 1138 N ILE B 50 11.453 19.392 9.154 1.00 15.82 N ATOM 1139 CA ILE B 50 10.860 20.012 10.326 1.00 18.40 C ATOM 1140 C ILE B 50 10.018 19.062 11.180 1.00 18.86 C ATOM 1141 O ILE B 50 10.029 19.160 12.401 1.00 18.09 O ATOM 1142 CB ILE B 50 9.980 21.230 9.922 1.00 19.96 C ATOM 1143 CG1 ILE B 50 9.697 22.104 11.146 1.00 21.59 C ATOM 1144 CG2 ILE B 50 8.678 20.754 9.312 1.00 19.46 C ATOM 1145 CD1 ILE B 50 10.938 22.743 11.733 1.00 23.01 C ATOM 0 H ILE B 50 11.238 19.765 8.410 1.00 15.82 H new ATOM 0 HA ILE B 50 11.614 20.294 10.867 1.00 18.40 H new ATOM 0 HB ILE B 50 10.460 21.757 9.264 1.00 19.96 H new ATOM 0 HG12 ILE B 50 9.069 22.801 10.898 1.00 21.59 H new ATOM 0 HG13 ILE B 50 9.267 21.564 11.827 1.00 21.59 H new ATOM 0 HG21 ILE B 50 8.137 21.520 9.064 1.00 19.46 H new ATOM 0 HG22 ILE B 50 8.866 20.222 8.523 1.00 19.46 H new ATOM 0 HG23 ILE B 50 8.196 20.214 9.958 1.00 19.46 H new ATOM 0 HD11 ILE B 50 10.692 23.281 12.502 1.00 23.01 H new ATOM 0 HD12 ILE B 50 11.559 22.051 12.009 1.00 23.01 H new ATOM 0 HD13 ILE B 50 11.359 23.307 11.065 1.00 23.01 H new ATOM 1146 N GLY B 51 9.306 18.136 10.543 1.00 18.86 N ATOM 1147 CA GLY B 51 8.457 17.227 11.293 1.00 20.26 C ATOM 1148 C GLY B 51 8.960 15.809 11.484 1.00 20.41 C ATOM 1149 O GLY B 51 8.281 14.996 12.103 1.00 23.17 O ATOM 0 H GLY B 51 9.302 18.021 9.691 1.00 18.86 H new ATOM 0 HA2 GLY B 51 8.304 17.613 12.170 1.00 20.26 H new ATOM 0 HA3 GLY B 51 7.596 17.183 10.848 1.00 20.26 H new ATOM 1150 N GLY B 52 10.142 15.504 10.968 1.00 20.66 N ATOM 1151 CA GLY B 52 10.677 14.162 11.113 1.00 19.35 C ATOM 1152 C GLY B 52 11.383 13.703 9.852 1.00 19.98 C ATOM 1153 O GLY B 52 11.483 14.458 8.882 1.00 18.59 O ATOM 0 H GLY B 52 10.644 16.052 10.536 1.00 20.66 H new ATOM 0 HA2 GLY B 52 11.297 14.139 11.858 1.00 19.35 H new ATOM 0 HA3 GLY B 52 9.957 13.547 11.324 1.00 19.35 H new ATOM 1154 N PHE B 53 11.869 12.464 9.867 1.00 19.17 N ATOM 1155 CA PHE B 53 12.575 11.894 8.729 1.00 20.40 C ATOM 1156 C PHE B 53 11.652 11.151 7.778 1.00 21.01 C ATOM 1157 O PHE B 53 10.708 10.482 8.203 1.00 21.89 O ATOM 1158 CB PHE B 53 13.672 10.936 9.199 1.00 18.55 C ATOM 1159 CG PHE B 53 14.839 11.623 9.853 1.00 20.92 C ATOM 1160 CD1 PHE B 53 14.704 12.217 11.104 1.00 21.03 C ATOM 1161 CD2 PHE B 53 16.065 11.700 9.205 1.00 20.13 C ATOM 1162 CE1 PHE B 53 15.774 12.881 11.700 1.00 20.76 C ATOM 1163 CE2 PHE B 53 17.141 12.361 9.790 1.00 20.24 C ATOM 1164 CZ PHE B 53 16.994 12.954 11.042 1.00 20.37 C ATOM 0 H PHE B 53 11.797 11.932 10.539 1.00 19.17 H new ATOM 0 HA PHE B 53 12.964 12.642 8.250 1.00 20.40 H new ATOM 0 HB2 PHE B 53 13.289 10.301 9.825 1.00 18.55 H new ATOM 0 HB3 PHE B 53 13.992 10.426 8.438 1.00 18.55 H new ATOM 0 HD1 PHE B 53 13.888 12.170 11.548 1.00 21.03 H new ATOM 0 HD2 PHE B 53 16.168 11.305 8.369 1.00 20.13 H new ATOM 0 HE1 PHE B 53 15.671 13.274 12.536 1.00 20.76 H new ATOM 0 HE2 PHE B 53 17.957 12.407 9.346 1.00 20.24 H new ATOM 0 HZ PHE B 53 17.711 13.397 11.436 1.00 20.37 H new ATOM 1165 N ILE B 54 11.936 11.277 6.485 1.00 20.73 N ATOM 1166 CA ILE B 54 11.165 10.603 5.451 1.00 20.83 C ATOM 1167 C ILE B 54 12.101 9.890 4.493 1.00 20.39 C ATOM 1168 O ILE B 54 13.307 10.170 4.451 1.00 19.11 O ATOM 1169 CB ILE B 54 10.315 11.579 4.592 1.00 20.12 C ATOM 1170 CG1 ILE B 54 11.218 12.636 3.957 1.00 19.83 C ATOM 1171 CG2 ILE B 54 9.213 12.198 5.436 1.00 22.90 C ATOM 1172 CD1 ILE B 54 10.587 13.363 2.763 1.00 17.90 C ATOM 0 H ILE B 54 12.583 11.757 6.184 1.00 20.73 H new ATOM 0 HA ILE B 54 10.575 9.991 5.918 1.00 20.83 H new ATOM 0 HB ILE B 54 9.886 11.090 3.872 1.00 20.12 H new ATOM 0 HG12 ILE B 54 11.458 13.290 4.632 1.00 19.83 H new ATOM 0 HG13 ILE B 54 12.041 12.213 3.667 1.00 19.83 H new ATOM 0 HG21 ILE B 54 8.689 12.805 4.890 1.00 22.90 H new ATOM 0 HG22 ILE B 54 8.638 11.498 5.782 1.00 22.90 H new ATOM 0 HG23 ILE B 54 9.607 12.687 6.175 1.00 22.90 H new ATOM 0 HD11 ILE B 54 11.214 14.015 2.413 1.00 17.90 H new ATOM 0 HD12 ILE B 54 10.370 12.720 2.070 1.00 17.90 H new ATOM 0 HD13 ILE B 54 9.778 13.814 3.050 1.00 17.90 H new ATOM 1173 N LYS B 55 11.518 8.979 3.719 1.00 18.80 N ATOM 1174 CA LYS B 55 12.230 8.210 2.718 1.00 19.39 C ATOM 1175 C LYS B 55 12.036 8.942 1.410 1.00 18.83 C ATOM 1176 O LYS B 55 10.932 9.406 1.113 1.00 18.29 O ATOM 1177 CB LYS B 55 11.621 6.811 2.550 1.00 19.66 C ATOM 1178 CG LYS B 55 11.702 5.893 3.748 1.00 22.34 C ATOM 1179 CD LYS B 55 10.973 4.586 3.434 1.00 25.79 C ATOM 1180 CE LYS B 55 11.202 3.512 4.483 1.00 26.77 C ATOM 1181 NZ LYS B 55 10.584 2.211 4.066 1.00 28.51 N ATOM 0 H LYS B 55 10.680 8.791 3.766 1.00 18.80 H new ATOM 0 HA LYS B 55 13.160 8.115 2.978 1.00 19.39 H new ATOM 0 HB2 LYS B 55 10.687 6.913 2.308 1.00 19.66 H new ATOM 0 HB3 LYS B 55 12.061 6.376 1.803 1.00 19.66 H new ATOM 0 HG2 LYS B 55 12.629 5.713 3.969 1.00 22.34 H new ATOM 0 HG3 LYS B 55 11.304 6.319 4.523 1.00 22.34 H new ATOM 0 HD2 LYS B 55 10.022 4.762 3.360 1.00 25.79 H new ATOM 0 HD3 LYS B 55 11.268 4.256 2.571 1.00 25.79 H new ATOM 0 HE2 LYS B 55 12.154 3.391 4.624 1.00 26.77 H new ATOM 0 HE3 LYS B 55 10.824 3.797 5.330 1.00 26.77 H new ATOM 0 HZ1 LYS B 55 10.730 1.598 4.694 1.00 28.51 H new ATOM 0 HZ2 LYS B 55 9.707 2.320 3.957 1.00 28.51 H new ATOM 0 HZ3 LYS B 55 10.947 1.942 3.299 1.00 28.51 H new ATOM 1182 N VAL B 56 13.102 9.039 0.627 1.00 16.79 N ATOM 1183 CA VAL B 56 13.028 9.687 -0.672 1.00 16.13 C ATOM 1184 C VAL B 56 13.839 8.849 -1.655 1.00 16.90 C ATOM 1185 O VAL B 56 14.605 7.978 -1.252 1.00 15.65 O ATOM 1186 CB VAL B 56 13.619 11.117 -0.638 1.00 15.32 C ATOM 1187 CG1 VAL B 56 12.755 12.025 0.223 1.00 12.31 C ATOM 1188 CG2 VAL B 56 15.040 11.073 -0.104 1.00 14.35 C ATOM 0 H VAL B 56 13.880 8.735 0.831 1.00 16.79 H new ATOM 0 HA VAL B 56 12.097 9.756 -0.934 1.00 16.13 H new ATOM 0 HB VAL B 56 13.633 11.475 -1.539 1.00 15.32 H new ATOM 0 HG11 VAL B 56 13.136 12.917 0.236 1.00 12.31 H new ATOM 0 HG12 VAL B 56 11.858 12.062 -0.144 1.00 12.31 H new ATOM 0 HG13 VAL B 56 12.719 11.676 1.127 1.00 12.31 H new ATOM 0 HG21 VAL B 56 15.406 11.971 -0.084 1.00 14.35 H new ATOM 0 HG22 VAL B 56 15.037 10.706 0.794 1.00 14.35 H new ATOM 0 HG23 VAL B 56 15.585 10.514 -0.680 1.00 14.35 H new ATOM 1189 N ARG B 57 13.661 9.116 -2.942 1.00 16.70 N ATOM 1190 CA ARG B 57 14.394 8.397 -3.972 1.00 15.79 C ATOM 1191 C ARG B 57 15.520 9.298 -4.435 1.00 15.55 C ATOM 1192 O ARG B 57 15.284 10.449 -4.804 1.00 15.60 O ATOM 1193 CB ARG B 57 13.487 8.081 -5.165 1.00 16.82 C ATOM 1194 CG ARG B 57 12.137 7.481 -4.799 1.00 14.43 C ATOM 1195 CD ARG B 57 11.589 6.658 -5.950 1.00 16.79 C ATOM 1196 NE ARG B 57 11.459 7.419 -7.192 1.00 14.81 N ATOM 1197 CZ ARG B 57 10.416 8.187 -7.495 1.00 15.49 C ATOM 1198 NH1 ARG B 57 9.402 8.303 -6.649 1.00 15.10 N ATOM 1199 NH2 ARG B 57 10.381 8.829 -8.654 1.00 14.74 N ATOM 0 H ARG B 57 13.118 9.712 -3.240 1.00 16.70 H new ATOM 0 HA ARG B 57 14.729 7.559 -3.615 1.00 15.79 H new ATOM 0 HB2 ARG B 57 13.338 8.897 -5.667 1.00 16.82 H new ATOM 0 HB3 ARG B 57 13.951 7.466 -5.754 1.00 16.82 H new ATOM 0 HG2 ARG B 57 12.228 6.923 -4.011 1.00 14.43 H new ATOM 0 HG3 ARG B 57 11.513 8.189 -4.575 1.00 14.43 H new ATOM 0 HD2 ARG B 57 12.172 5.898 -6.103 1.00 16.79 H new ATOM 0 HD3 ARG B 57 10.721 6.304 -5.702 1.00 16.79 H new ATOM 0 HE ARG B 57 12.099 7.367 -7.764 1.00 14.81 H new ATOM 0 HH11 ARG B 57 9.416 7.881 -5.900 1.00 15.10 H new ATOM 0 HH12 ARG B 57 8.730 8.801 -6.849 1.00 15.10 H new ATOM 0 HH21 ARG B 57 11.032 8.749 -9.210 1.00 14.74 H new ATOM 0 HH22 ARG B 57 9.707 9.326 -8.850 1.00 14.74 H new ATOM 1200 N GLN B 58 16.740 8.778 -4.415 1.00 14.89 N ATOM 1201 CA GLN B 58 17.896 9.550 -4.839 1.00 14.46 C ATOM 1202 C GLN B 58 18.334 9.191 -6.249 1.00 14.83 C ATOM 1203 O GLN B 58 18.550 8.025 -6.566 1.00 15.92 O ATOM 1204 CB GLN B 58 19.070 9.326 -3.880 1.00 14.91 C ATOM 1205 CG GLN B 58 20.308 10.151 -4.216 1.00 15.46 C ATOM 1206 CD GLN B 58 21.437 9.945 -3.223 1.00 16.47 C ATOM 1207 OE1 GLN B 58 21.201 9.776 -2.028 1.00 19.23 O ATOM 1208 NE2 GLN B 58 22.673 9.980 -3.711 1.00 14.38 N ATOM 0 H GLN B 58 16.919 7.977 -4.158 1.00 14.89 H new ATOM 0 HA GLN B 58 17.631 10.483 -4.828 1.00 14.46 H new ATOM 0 HB2 GLN B 58 18.785 9.540 -2.978 1.00 14.91 H new ATOM 0 HB3 GLN B 58 19.307 8.385 -3.887 1.00 14.91 H new ATOM 0 HG2 GLN B 58 20.617 9.916 -5.105 1.00 15.46 H new ATOM 0 HG3 GLN B 58 20.069 11.091 -4.238 1.00 15.46 H new ATOM 0 HE21 GLN B 58 22.800 10.100 -4.553 1.00 14.38 H new ATOM 0 HE22 GLN B 58 23.346 9.882 -3.185 1.00 14.38 H new ATOM 1209 N TYR B 59 18.452 10.207 -7.089 1.00 14.96 N ATOM 1210 CA TYR B 59 18.907 10.046 -8.463 1.00 14.85 C ATOM 1211 C TYR B 59 20.167 10.894 -8.558 1.00 13.86 C ATOM 1212 O TYR B 59 20.150 12.067 -8.181 1.00 12.31 O ATOM 1213 CB TYR B 59 17.862 10.569 -9.454 1.00 14.80 C ATOM 1214 CG TYR B 59 16.573 9.778 -9.466 1.00 16.06 C ATOM 1215 CD1 TYR B 59 15.592 9.982 -8.494 1.00 17.54 C ATOM 1216 CD2 TYR B 59 16.346 8.805 -10.436 1.00 15.45 C ATOM 1217 CE1 TYR B 59 14.409 9.228 -8.489 1.00 17.25 C ATOM 1218 CE2 TYR B 59 15.173 8.047 -10.441 1.00 17.85 C ATOM 1219 CZ TYR B 59 14.213 8.260 -9.466 1.00 17.00 C ATOM 1220 OH TYR B 59 13.083 7.477 -9.451 1.00 18.53 O ATOM 0 H TYR B 59 18.268 11.020 -6.876 1.00 14.96 H new ATOM 0 HA TYR B 59 19.061 9.113 -8.680 1.00 14.85 H new ATOM 0 HB2 TYR B 59 17.661 11.493 -9.240 1.00 14.80 H new ATOM 0 HB3 TYR B 59 18.243 10.561 -10.346 1.00 14.80 H new ATOM 0 HD1 TYR B 59 15.725 10.629 -7.839 1.00 17.54 H new ATOM 0 HD2 TYR B 59 16.988 8.657 -11.093 1.00 15.45 H new ATOM 0 HE1 TYR B 59 13.762 9.375 -7.838 1.00 17.25 H new ATOM 0 HE2 TYR B 59 15.037 7.402 -11.097 1.00 17.85 H new ATOM 0 HH TYR B 59 13.281 6.703 -9.191 1.00 18.53 H new ATOM 1221 N ASP B 60 21.258 10.307 -9.038 1.00 13.49 N ATOM 1222 CA ASP B 60 22.512 11.047 -9.161 1.00 14.96 C ATOM 1223 C ASP B 60 22.856 11.473 -10.576 1.00 15.62 C ATOM 1224 O ASP B 60 22.426 10.860 -11.550 1.00 16.10 O ATOM 1225 CB ASP B 60 23.679 10.223 -8.619 1.00 16.39 C ATOM 1226 CG ASP B 60 23.477 9.797 -7.185 1.00 18.03 C ATOM 1227 OD1 ASP B 60 23.028 10.632 -6.373 1.00 18.41 O ATOM 1228 OD2 ASP B 60 23.777 8.628 -6.871 1.00 19.81 O ATOM 0 H ASP B 60 21.295 9.488 -9.297 1.00 13.49 H new ATOM 0 HA ASP B 60 22.372 11.854 -8.640 1.00 14.96 H new ATOM 0 HB2 ASP B 60 23.798 9.435 -9.172 1.00 16.39 H new ATOM 0 HB3 ASP B 60 24.495 10.743 -8.686 1.00 16.39 H new ATOM 1229 N GLN B 61 23.637 12.542 -10.681 1.00 16.40 N ATOM 1230 CA GLN B 61 24.093 13.027 -11.978 1.00 17.34 C ATOM 1231 C GLN B 61 22.941 13.417 -12.904 1.00 16.55 C ATOM 1232 O GLN B 61 22.968 13.123 -14.099 1.00 16.01 O ATOM 1233 CB GLN B 61 24.946 11.929 -12.623 1.00 19.75 C ATOM 1234 CG GLN B 61 25.954 12.381 -13.634 1.00 22.29 C ATOM 1235 CD GLN B 61 27.206 11.519 -13.593 1.00 23.93 C ATOM 1236 OE1 GLN B 61 27.359 10.758 -12.519 1.00 26.14 O flip ATOM 1237 NE2 GLN B 61 28.029 11.545 -14.505 1.00 25.19 N flip ATOM 0 H GLN B 61 23.915 13.003 -10.010 1.00 16.40 H new ATOM 0 HA GLN B 61 24.612 13.835 -11.839 1.00 17.34 H new ATOM 0 HB2 GLN B 61 25.413 11.453 -11.919 1.00 19.75 H new ATOM 0 HB3 GLN B 61 24.351 11.292 -13.049 1.00 19.75 H new ATOM 0 HG2 GLN B 61 25.563 12.345 -14.521 1.00 22.29 H new ATOM 0 HG3 GLN B 61 26.191 13.306 -13.466 1.00 22.29 H new ATOM 0 HE21 GLN B 61 27.898 12.051 -15.188 1.00 25.19 H new ATOM 0 HE22 GLN B 61 28.736 11.057 -14.460 1.00 25.19 H new ATOM 1238 N ILE B 62 21.937 14.087 -12.351 1.00 15.05 N ATOM 1239 CA ILE B 62 20.779 14.509 -13.135 1.00 15.30 C ATOM 1240 C ILE B 62 20.971 15.920 -13.664 1.00 15.32 C ATOM 1241 O ILE B 62 21.451 16.799 -12.945 1.00 13.73 O ATOM 1242 CB ILE B 62 19.486 14.472 -12.278 1.00 14.73 C ATOM 1243 CG1 ILE B 62 19.192 13.031 -11.853 1.00 13.92 C ATOM 1244 CG2 ILE B 62 18.316 15.079 -13.053 1.00 13.92 C ATOM 1245 CD1 ILE B 62 18.879 12.082 -12.998 1.00 13.82 C ATOM 0 H ILE B 62 21.905 14.309 -11.521 1.00 15.05 H new ATOM 0 HA ILE B 62 20.693 13.891 -13.878 1.00 15.30 H new ATOM 0 HB ILE B 62 19.613 15.005 -11.478 1.00 14.73 H new ATOM 0 HG12 ILE B 62 19.957 12.688 -11.365 1.00 13.92 H new ATOM 0 HG13 ILE B 62 18.442 13.035 -11.238 1.00 13.92 H new ATOM 0 HG21 ILE B 62 17.515 15.049 -12.506 1.00 13.92 H new ATOM 0 HG22 ILE B 62 18.520 16.000 -13.278 1.00 13.92 H new ATOM 0 HG23 ILE B 62 18.170 14.573 -13.867 1.00 13.92 H new ATOM 0 HD11 ILE B 62 18.706 11.195 -12.645 1.00 13.82 H new ATOM 0 HD12 ILE B 62 18.096 12.398 -13.476 1.00 13.82 H new ATOM 0 HD13 ILE B 62 19.635 12.046 -13.605 1.00 13.82 H new ATOM 1246 N LEU B 63 20.604 16.136 -14.922 1.00 15.45 N ATOM 1247 CA LEU B 63 20.733 17.458 -15.513 1.00 17.54 C ATOM 1248 C LEU B 63 19.542 18.329 -15.159 1.00 16.91 C ATOM 1249 O LEU B 63 18.392 17.913 -15.268 1.00 17.02 O ATOM 1250 CB LEU B 63 20.844 17.367 -17.033 1.00 21.98 C ATOM 1251 CG LEU B 63 20.642 18.692 -17.767 1.00 25.05 C ATOM 1252 CD1 LEU B 63 21.618 19.766 -17.237 1.00 28.48 C ATOM 1253 CD2 LEU B 63 20.841 18.453 -19.267 1.00 27.35 C ATOM 0 H LEU B 63 20.281 15.535 -15.445 1.00 15.45 H new ATOM 0 HA LEU B 63 21.541 17.857 -15.154 1.00 17.54 H new ATOM 0 HB2 LEU B 63 21.719 17.015 -17.261 1.00 21.98 H new ATOM 0 HB3 LEU B 63 20.188 16.729 -17.356 1.00 21.98 H new ATOM 0 HG LEU B 63 19.743 19.022 -17.610 1.00 25.05 H new ATOM 0 HD11 LEU B 63 21.474 20.598 -17.715 1.00 28.48 H new ATOM 0 HD12 LEU B 63 21.462 19.906 -16.290 1.00 28.48 H new ATOM 0 HD13 LEU B 63 22.531 19.469 -17.373 1.00 28.48 H new ATOM 0 HD21 LEU B 63 20.716 19.286 -19.747 1.00 27.35 H new ATOM 0 HD22 LEU B 63 21.738 18.121 -19.426 1.00 27.35 H new ATOM 0 HD23 LEU B 63 20.195 17.800 -19.579 1.00 27.35 H new ATOM 1254 N ILE B 64 19.821 19.551 -14.743 1.00 15.13 N ATOM 1255 CA ILE B 64 18.759 20.466 -14.385 1.00 15.60 C ATOM 1256 C ILE B 64 19.259 21.889 -14.574 1.00 16.40 C ATOM 1257 O ILE B 64 20.419 22.191 -14.295 1.00 17.25 O ATOM 1258 CB ILE B 64 18.305 20.218 -12.922 1.00 15.38 C ATOM 1259 CG1 ILE B 64 17.343 21.312 -12.464 1.00 16.71 C ATOM 1260 CG2 ILE B 64 19.515 20.124 -12.009 1.00 16.17 C ATOM 1261 CD1 ILE B 64 16.837 21.103 -11.047 1.00 16.15 C ATOM 0 H ILE B 64 20.616 19.868 -14.661 1.00 15.13 H new ATOM 0 HA ILE B 64 17.988 20.322 -14.956 1.00 15.60 H new ATOM 0 HB ILE B 64 17.829 19.374 -12.879 1.00 15.38 H new ATOM 0 HG12 ILE B 64 17.789 22.172 -12.519 1.00 16.71 H new ATOM 0 HG13 ILE B 64 16.587 21.345 -13.070 1.00 16.71 H new ATOM 0 HG21 ILE B 64 19.222 19.969 -11.098 1.00 16.17 H new ATOM 0 HG22 ILE B 64 20.080 19.390 -12.295 1.00 16.17 H new ATOM 0 HG23 ILE B 64 20.017 20.953 -12.050 1.00 16.17 H new ATOM 0 HD11 ILE B 64 16.233 21.824 -10.809 1.00 16.15 H new ATOM 0 HD12 ILE B 64 16.367 20.256 -10.993 1.00 16.15 H new ATOM 0 HD13 ILE B 64 17.588 21.095 -10.433 1.00 16.15 H new ATOM 1262 N GLU B 65 18.389 22.749 -15.085 1.00 15.57 N ATOM 1263 CA GLU B 65 18.738 24.140 -15.310 1.00 16.66 C ATOM 1264 C GLU B 65 18.028 24.995 -14.276 1.00 15.36 C ATOM 1265 O GLU B 65 16.808 24.950 -14.141 1.00 16.13 O ATOM 1266 CB GLU B 65 18.337 24.569 -16.721 1.00 15.57 C ATOM 1267 CG GLU B 65 18.742 25.983 -17.062 1.00 18.77 C ATOM 1268 CD GLU B 65 18.508 26.313 -18.526 1.00 21.02 C ATOM 1269 OE1 GLU B 65 19.235 25.765 -19.378 1.00 25.27 O ATOM 1270 OE2 GLU B 65 17.597 27.111 -18.822 1.00 21.75 O ATOM 0 H GLU B 65 17.585 22.543 -15.309 1.00 15.57 H new ATOM 0 HA GLU B 65 19.698 24.253 -15.224 1.00 16.66 H new ATOM 0 HB2 GLU B 65 18.739 23.962 -17.362 1.00 15.57 H new ATOM 0 HB3 GLU B 65 17.375 24.485 -16.815 1.00 15.57 H new ATOM 0 HG2 GLU B 65 18.241 26.603 -16.509 1.00 18.77 H new ATOM 0 HG3 GLU B 65 19.680 26.108 -16.850 1.00 18.77 H new ATOM 1271 N ILE B 66 18.807 25.771 -13.540 1.00 16.80 N ATOM 1272 CA ILE B 66 18.258 26.615 -12.497 1.00 17.10 C ATOM 1273 C ILE B 66 18.354 28.080 -12.855 1.00 17.38 C ATOM 1274 O ILE B 66 19.439 28.654 -12.864 1.00 18.69 O ATOM 1275 CB ILE B 66 18.989 26.390 -11.174 1.00 15.26 C ATOM 1276 CG1 ILE B 66 19.014 24.892 -10.855 1.00 14.96 C ATOM 1277 CG2 ILE B 66 18.295 27.176 -10.066 1.00 14.90 C ATOM 1278 CD1 ILE B 66 19.832 24.535 -9.644 1.00 17.28 C ATOM 0 H ILE B 66 19.661 25.823 -13.630 1.00 16.80 H new ATOM 0 HA ILE B 66 17.324 26.371 -12.405 1.00 17.10 H new ATOM 0 HB ILE B 66 19.904 26.705 -11.243 1.00 15.26 H new ATOM 0 HG12 ILE B 66 18.104 24.585 -10.721 1.00 14.96 H new ATOM 0 HG13 ILE B 66 19.365 24.414 -11.623 1.00 14.96 H new ATOM 0 HG21 ILE B 66 18.760 27.032 -9.227 1.00 14.90 H new ATOM 0 HG22 ILE B 66 18.306 28.121 -10.284 1.00 14.90 H new ATOM 0 HG23 ILE B 66 17.377 26.875 -9.982 1.00 14.90 H new ATOM 0 HD11 ILE B 66 19.802 23.576 -9.504 1.00 17.28 H new ATOM 0 HD12 ILE B 66 20.751 24.813 -9.781 1.00 17.28 H new ATOM 0 HD13 ILE B 66 19.471 24.986 -8.865 1.00 17.28 H new ATOM 1279 N CYS B 67 17.207 28.681 -13.147 1.00 18.06 N ATOM 1280 CA CYS B 67 17.158 30.088 -13.502 1.00 20.10 C ATOM 1281 C CYS B 67 18.245 30.423 -14.527 1.00 19.43 C ATOM 1282 O CYS B 67 18.967 31.401 -14.381 1.00 18.90 O ATOM 1283 CB CYS B 67 17.332 30.939 -12.237 1.00 21.35 C ATOM 1284 SG CYS B 67 17.102 32.710 -12.476 1.00 30.69 S ATOM 0 H CYS B 67 16.443 28.287 -13.145 1.00 18.06 H new ATOM 0 HA CYS B 67 16.297 30.285 -13.903 1.00 20.10 H new ATOM 0 HB2 CYS B 67 16.701 30.632 -11.567 1.00 21.35 H new ATOM 0 HB3 CYS B 67 18.221 30.787 -11.880 1.00 21.35 H new ATOM 0 HG CYS B 67 17.739 33.072 -13.426 1.00 30.69 H new ATOM 1285 N GLY B 68 18.369 29.587 -15.553 1.00 19.66 N ATOM 1286 CA GLY B 68 19.360 29.833 -16.588 1.00 20.85 C ATOM 1287 C GLY B 68 20.728 29.210 -16.373 1.00 20.20 C ATOM 1288 O GLY B 68 21.539 29.154 -17.296 1.00 20.77 O ATOM 0 H GLY B 68 17.894 28.879 -15.666 1.00 19.66 H new ATOM 0 HA2 GLY B 68 19.007 29.508 -17.431 1.00 20.85 H new ATOM 0 HA3 GLY B 68 19.473 30.792 -16.679 1.00 20.85 H new ATOM 1289 N HIS B 69 20.996 28.746 -15.159 1.00 19.06 N ATOM 1290 CA HIS B 69 22.280 28.130 -14.858 1.00 19.38 C ATOM 1291 C HIS B 69 22.173 26.607 -14.889 1.00 19.15 C ATOM 1292 O HIS B 69 21.391 26.012 -14.149 1.00 18.23 O ATOM 1293 CB HIS B 69 22.782 28.603 -13.487 1.00 19.72 C ATOM 1294 CG HIS B 69 23.121 30.061 -13.439 1.00 18.99 C ATOM 1295 ND1 HIS B 69 24.303 30.694 -13.253 1.00 21.65 N flip ATOM 1296 CD2 HIS B 69 22.181 31.052 -13.626 1.00 19.05 C flip ATOM 1297 CE1 HIS B 69 24.058 32.043 -13.332 1.00 20.17 C flip ATOM 1298 NE2 HIS B 69 22.771 32.232 -13.557 1.00 19.59 N flip ATOM 0 H HIS B 69 20.449 28.778 -14.496 1.00 19.06 H new ATOM 0 HA HIS B 69 22.917 28.401 -15.537 1.00 19.38 H new ATOM 0 HB2 HIS B 69 22.103 28.415 -12.821 1.00 19.72 H new ATOM 0 HB3 HIS B 69 23.568 28.088 -13.244 1.00 19.72 H new ATOM 0 HD2 HIS B 69 21.274 30.912 -13.777 1.00 19.05 H new ATOM 0 HE1 HIS B 69 24.695 32.714 -13.242 1.00 20.17 H new ATOM 0 HE2 HIS B 69 22.382 32.994 -13.644 1.00 19.59 H new ATOM 1299 N LYS B 70 22.961 25.980 -15.753 1.00 18.25 N ATOM 1300 CA LYS B 70 22.937 24.531 -15.882 1.00 20.44 C ATOM 1301 C LYS B 70 23.754 23.821 -14.822 1.00 19.59 C ATOM 1302 O LYS B 70 24.887 24.199 -14.512 1.00 19.62 O ATOM 1303 CB LYS B 70 23.405 24.108 -17.280 1.00 23.73 C ATOM 1304 CG LYS B 70 22.401 24.467 -18.368 1.00 26.96 C ATOM 1305 CD LYS B 70 22.807 23.956 -19.740 1.00 30.93 C ATOM 1306 CE LYS B 70 21.731 24.289 -20.768 1.00 32.25 C ATOM 1307 NZ LYS B 70 22.088 23.843 -22.146 1.00 36.25 N ATOM 0 H LYS B 70 23.518 26.377 -16.275 1.00 18.25 H new ATOM 0 HA LYS B 70 22.015 24.262 -15.750 1.00 20.44 H new ATOM 0 HB2 LYS B 70 24.254 24.534 -17.475 1.00 23.73 H new ATOM 0 HB3 LYS B 70 23.559 23.150 -17.290 1.00 23.73 H new ATOM 0 HG2 LYS B 70 21.534 24.100 -18.135 1.00 26.96 H new ATOM 0 HG3 LYS B 70 22.301 25.431 -18.404 1.00 26.96 H new ATOM 0 HD2 LYS B 70 23.650 24.356 -20.004 1.00 30.93 H new ATOM 0 HD3 LYS B 70 22.946 22.997 -19.707 1.00 30.93 H new ATOM 0 HE2 LYS B 70 20.897 23.871 -20.503 1.00 32.25 H new ATOM 0 HE3 LYS B 70 21.579 25.247 -20.772 1.00 32.25 H new ATOM 0 HZ1 LYS B 70 21.432 24.059 -22.707 1.00 36.25 H new ATOM 0 HZ2 LYS B 70 22.841 24.243 -22.402 1.00 36.25 H new ATOM 0 HZ3 LYS B 70 22.205 22.961 -22.152 1.00 36.25 H new ATOM 1308 N ALA B 71 23.158 22.781 -14.263 1.00 16.83 N ATOM 1309 CA ALA B 71 23.813 22.003 -13.236 1.00 15.47 C ATOM 1310 C ALA B 71 23.614 20.516 -13.495 1.00 15.02 C ATOM 1311 O ALA B 71 22.780 20.118 -14.312 1.00 15.01 O ATOM 1312 CB ALA B 71 23.256 22.388 -11.868 1.00 15.39 C ATOM 0 H ALA B 71 22.368 22.510 -14.468 1.00 16.83 H new ATOM 0 HA ALA B 71 24.765 22.190 -13.252 1.00 15.47 H new ATOM 0 HB1 ALA B 71 23.697 21.865 -11.180 1.00 15.39 H new ATOM 0 HB2 ALA B 71 23.415 23.331 -11.708 1.00 15.39 H new ATOM 0 HB3 ALA B 71 22.302 22.213 -11.846 1.00 15.39 H new ATOM 1313 N ILE B 72 24.409 19.703 -12.810 1.00 14.30 N ATOM 1314 CA ILE B 72 24.333 18.256 -12.922 1.00 13.32 C ATOM 1315 C ILE B 72 24.632 17.678 -11.549 1.00 13.91 C ATOM 1316 O ILE B 72 25.771 17.735 -11.087 1.00 13.52 O ATOM 1317 CB ILE B 72 25.368 17.703 -13.902 1.00 12.54 C ATOM 1318 CG1 ILE B 72 25.208 18.374 -15.269 1.00 11.73 C ATOM 1319 CG2 ILE B 72 25.199 16.182 -14.015 1.00 12.30 C ATOM 1320 CD1 ILE B 72 26.173 17.856 -16.315 1.00 12.05 C ATOM 0 H ILE B 72 25.012 19.980 -12.263 1.00 14.30 H new ATOM 0 HA ILE B 72 23.451 18.015 -13.246 1.00 13.32 H new ATOM 0 HB ILE B 72 26.261 17.895 -13.576 1.00 12.54 H new ATOM 0 HG12 ILE B 72 24.300 18.240 -15.583 1.00 11.73 H new ATOM 0 HG13 ILE B 72 25.335 19.330 -15.168 1.00 11.73 H new ATOM 0 HG21 ILE B 72 25.855 15.829 -14.636 1.00 12.30 H new ATOM 0 HG22 ILE B 72 25.328 15.776 -13.144 1.00 12.30 H new ATOM 0 HG23 ILE B 72 24.307 15.978 -14.337 1.00 12.30 H new ATOM 0 HD11 ILE B 72 26.021 18.319 -17.154 1.00 12.05 H new ATOM 0 HD12 ILE B 72 27.084 18.012 -16.021 1.00 12.05 H new ATOM 0 HD13 ILE B 72 26.033 16.904 -16.442 1.00 12.05 H new ATOM 1321 N GLY B 73 23.616 17.130 -10.891 1.00 13.63 N ATOM 1322 CA GLY B 73 23.847 16.579 -9.569 1.00 14.14 C ATOM 1323 C GLY B 73 22.769 15.666 -9.036 1.00 13.30 C ATOM 1324 O GLY B 73 21.916 15.171 -9.777 1.00 13.16 O ATOM 0 H GLY B 73 22.810 17.069 -11.184 1.00 13.63 H new ATOM 0 HA2 GLY B 73 24.684 16.088 -9.584 1.00 14.14 H new ATOM 0 HA3 GLY B 73 23.960 17.314 -8.947 1.00 14.14 H new ATOM 1325 N THR B 74 22.825 15.433 -7.732 1.00 12.92 N ATOM 1326 CA THR B 74 21.866 14.571 -7.066 1.00 11.78 C ATOM 1327 C THR B 74 20.529 15.265 -6.863 1.00 11.37 C ATOM 1328 O THR B 74 20.463 16.407 -6.395 1.00 12.41 O ATOM 1329 CB THR B 74 22.411 14.096 -5.696 1.00 12.21 C ATOM 1330 OG1 THR B 74 23.572 13.285 -5.912 1.00 13.75 O ATOM 1331 CG2 THR B 74 21.371 13.275 -4.954 1.00 8.96 C ATOM 0 H THR B 74 23.420 15.770 -7.210 1.00 12.92 H new ATOM 0 HA THR B 74 21.729 13.803 -7.643 1.00 11.78 H new ATOM 0 HB THR B 74 22.632 14.876 -5.163 1.00 12.21 H new ATOM 0 HG1 THR B 74 23.338 12.489 -6.045 1.00 13.75 H new ATOM 0 HG21 THR B 74 21.733 12.989 -4.101 1.00 8.96 H new ATOM 0 HG22 THR B 74 20.579 13.815 -4.804 1.00 8.96 H new ATOM 0 HG23 THR B 74 21.136 12.496 -5.483 1.00 8.96 H new ATOM 1332 N VAL B 75 19.468 14.567 -7.243 1.00 11.48 N ATOM 1333 CA VAL B 75 18.110 15.062 -7.107 1.00 13.50 C ATOM 1334 C VAL B 75 17.334 14.020 -6.321 1.00 13.27 C ATOM 1335 O VAL B 75 17.383 12.832 -6.645 1.00 13.99 O ATOM 1336 CB VAL B 75 17.444 15.239 -8.480 1.00 15.87 C ATOM 1337 CG1 VAL B 75 15.958 15.455 -8.311 1.00 17.01 C ATOM 1338 CG2 VAL B 75 18.063 16.420 -9.204 1.00 17.27 C ATOM 0 H VAL B 75 19.519 13.782 -7.592 1.00 11.48 H new ATOM 0 HA VAL B 75 18.119 15.924 -6.663 1.00 13.50 H new ATOM 0 HB VAL B 75 17.585 14.436 -9.006 1.00 15.87 H new ATOM 0 HG11 VAL B 75 15.546 15.566 -9.182 1.00 17.01 H new ATOM 0 HG12 VAL B 75 15.568 14.687 -7.864 1.00 17.01 H new ATOM 0 HG13 VAL B 75 15.805 16.251 -7.778 1.00 17.01 H new ATOM 0 HG21 VAL B 75 17.639 16.527 -10.070 1.00 17.27 H new ATOM 0 HG22 VAL B 75 17.934 17.225 -8.679 1.00 17.27 H new ATOM 0 HG23 VAL B 75 19.012 16.263 -9.326 1.00 17.27 H new ATOM 1339 N LEU B 76 16.640 14.460 -5.279 1.00 12.08 N ATOM 1340 CA LEU B 76 15.850 13.560 -4.448 1.00 11.29 C ATOM 1341 C LEU B 76 14.374 13.755 -4.778 1.00 11.65 C ATOM 1342 O LEU B 76 13.913 14.882 -4.944 1.00 10.53 O ATOM 1343 CB LEU B 76 16.086 13.865 -2.961 1.00 11.19 C ATOM 1344 CG LEU B 76 17.544 13.916 -2.486 1.00 13.67 C ATOM 1345 CD1 LEU B 76 17.591 14.237 -0.984 1.00 11.06 C ATOM 1346 CD2 LEU B 76 18.223 12.574 -2.765 1.00 11.40 C ATOM 0 H LEU B 76 16.613 15.284 -5.034 1.00 12.08 H new ATOM 0 HA LEU B 76 16.114 12.644 -4.624 1.00 11.29 H new ATOM 0 HB2 LEU B 76 15.672 14.719 -2.759 1.00 11.19 H new ATOM 0 HB3 LEU B 76 15.621 13.194 -2.438 1.00 11.19 H new ATOM 0 HG LEU B 76 18.016 14.613 -2.968 1.00 13.67 H new ATOM 0 HD11 LEU B 76 18.514 14.268 -0.688 1.00 11.06 H new ATOM 0 HD12 LEU B 76 17.171 15.097 -0.823 1.00 11.06 H new ATOM 0 HD13 LEU B 76 17.117 13.549 -0.491 1.00 11.06 H new ATOM 0 HD21 LEU B 76 19.144 12.609 -2.464 1.00 11.40 H new ATOM 0 HD22 LEU B 76 17.755 11.869 -2.291 1.00 11.40 H new ATOM 0 HD23 LEU B 76 18.201 12.392 -3.718 1.00 11.40 H new ATOM 1347 N VAL B 77 13.631 12.661 -4.867 1.00 11.24 N ATOM 1348 CA VAL B 77 12.209 12.756 -5.188 1.00 13.48 C ATOM 1349 C VAL B 77 11.360 12.148 -4.093 1.00 15.20 C ATOM 1350 O VAL B 77 11.534 10.987 -3.728 1.00 15.37 O ATOM 1351 CB VAL B 77 11.875 12.033 -6.524 1.00 12.53 C ATOM 1352 CG1 VAL B 77 10.386 12.168 -6.842 1.00 13.90 C ATOM 1353 CG2 VAL B 77 12.704 12.619 -7.640 1.00 12.87 C ATOM 0 H VAL B 77 13.924 11.861 -4.747 1.00 11.24 H new ATOM 0 HA VAL B 77 12.009 13.701 -5.274 1.00 13.48 H new ATOM 0 HB VAL B 77 12.085 11.090 -6.435 1.00 12.53 H new ATOM 0 HG11 VAL B 77 10.191 11.714 -7.676 1.00 13.90 H new ATOM 0 HG12 VAL B 77 9.865 11.769 -6.128 1.00 13.90 H new ATOM 0 HG13 VAL B 77 10.156 13.107 -6.924 1.00 13.90 H new ATOM 0 HG21 VAL B 77 12.494 12.166 -8.472 1.00 12.87 H new ATOM 0 HG22 VAL B 77 12.506 13.565 -7.728 1.00 12.87 H new ATOM 0 HG23 VAL B 77 13.646 12.503 -7.439 1.00 12.87 H new ATOM 1354 N GLY B 78 10.443 12.942 -3.557 1.00 17.15 N ATOM 1355 CA GLY B 78 9.575 12.437 -2.517 1.00 17.50 C ATOM 1356 C GLY B 78 8.495 13.428 -2.155 1.00 18.55 C ATOM 1357 O GLY B 78 8.330 14.457 -2.833 1.00 18.13 O ATOM 0 H GLY B 78 10.311 13.762 -3.779 1.00 17.15 H new ATOM 0 HA2 GLY B 78 9.167 11.608 -2.811 1.00 17.50 H new ATOM 0 HA3 GLY B 78 10.101 12.230 -1.729 1.00 17.50 H new ATOM 1358 N PRO B 79 7.729 13.148 -1.085 1.00 18.30 N ATOM 1359 CA PRO B 79 6.661 14.056 -0.663 1.00 17.79 C ATOM 1360 C PRO B 79 7.247 15.365 -0.159 1.00 18.12 C ATOM 1361 O PRO B 79 7.935 15.411 0.863 1.00 19.65 O ATOM 1362 CB PRO B 79 5.948 13.270 0.435 1.00 17.56 C ATOM 1363 CG PRO B 79 7.017 12.376 0.971 1.00 17.82 C ATOM 1364 CD PRO B 79 7.733 11.923 -0.268 1.00 16.74 C ATOM 0 HA PRO B 79 6.055 14.312 -1.376 1.00 17.79 H new ATOM 0 HB2 PRO B 79 5.594 13.856 1.122 1.00 17.56 H new ATOM 0 HB3 PRO B 79 5.200 12.762 0.083 1.00 17.56 H new ATOM 0 HG2 PRO B 79 7.610 12.848 1.576 1.00 17.82 H new ATOM 0 HG3 PRO B 79 6.645 11.628 1.465 1.00 17.82 H new ATOM 0 HD2 PRO B 79 8.633 11.617 -0.076 1.00 16.74 H new ATOM 0 HD3 PRO B 79 7.272 11.191 -0.707 1.00 16.74 H new ATOM 1365 N THR B 80 6.985 16.437 -0.882 1.00 17.81 N ATOM 1366 CA THR B 80 7.512 17.724 -0.478 1.00 18.32 C ATOM 1367 C THR B 80 6.485 18.798 -0.730 1.00 17.15 C ATOM 1368 O THR B 80 5.686 18.701 -1.661 1.00 18.35 O ATOM 1369 CB THR B 80 8.822 18.037 -1.240 1.00 18.15 C ATOM 1370 OG1 THR B 80 9.355 19.288 -0.790 1.00 20.50 O ATOM 1371 CG2 THR B 80 8.564 18.091 -2.730 1.00 18.96 C ATOM 0 H THR B 80 6.511 16.443 -1.600 1.00 17.81 H new ATOM 0 HA THR B 80 7.713 17.698 0.471 1.00 18.32 H new ATOM 0 HB THR B 80 9.465 17.333 -1.062 1.00 18.15 H new ATOM 0 HG1 THR B 80 9.341 19.842 -1.421 1.00 20.50 H new ATOM 0 HG21 THR B 80 9.392 18.288 -3.195 1.00 18.96 H new ATOM 0 HG22 THR B 80 8.220 17.235 -3.030 1.00 18.96 H new ATOM 0 HG23 THR B 80 7.914 18.785 -2.921 1.00 18.96 H new ATOM 1372 N PRO B 81 6.464 19.832 0.120 1.00 18.04 N ATOM 1373 CA PRO B 81 5.505 20.928 -0.037 1.00 17.11 C ATOM 1374 C PRO B 81 5.754 21.698 -1.318 1.00 17.11 C ATOM 1375 O PRO B 81 4.823 22.212 -1.930 1.00 18.50 O ATOM 1376 CB PRO B 81 5.751 21.788 1.199 1.00 17.43 C ATOM 1377 CG PRO B 81 6.274 20.803 2.203 1.00 18.78 C ATOM 1378 CD PRO B 81 7.207 19.962 1.384 1.00 18.32 C ATOM 0 HA PRO B 81 4.586 20.625 -0.104 1.00 17.11 H new ATOM 0 HB2 PRO B 81 6.392 22.494 1.022 1.00 17.43 H new ATOM 0 HB3 PRO B 81 4.936 22.215 1.507 1.00 17.43 H new ATOM 0 HG2 PRO B 81 6.734 21.244 2.934 1.00 18.78 H new ATOM 0 HG3 PRO B 81 5.561 20.274 2.594 1.00 18.78 H new ATOM 0 HD2 PRO B 81 8.068 20.391 1.258 1.00 18.32 H new ATOM 0 HD3 PRO B 81 7.377 19.101 1.796 1.00 18.32 H new ATOM 1379 N VAL B 82 7.019 21.780 -1.722 1.00 15.99 N ATOM 1380 CA VAL B 82 7.394 22.508 -2.933 1.00 14.39 C ATOM 1381 C VAL B 82 8.686 21.934 -3.500 1.00 13.56 C ATOM 1382 O VAL B 82 9.397 21.200 -2.814 1.00 13.84 O ATOM 1383 CB VAL B 82 7.650 24.019 -2.642 1.00 14.72 C ATOM 1384 CG1 VAL B 82 6.363 24.715 -2.257 1.00 18.48 C ATOM 1385 CG2 VAL B 82 8.674 24.170 -1.510 1.00 14.82 C ATOM 0 H VAL B 82 7.680 21.419 -1.306 1.00 15.99 H new ATOM 0 HA VAL B 82 6.658 22.417 -3.559 1.00 14.39 H new ATOM 0 HB VAL B 82 7.998 24.430 -3.449 1.00 14.72 H new ATOM 0 HG11 VAL B 82 6.542 25.652 -2.080 1.00 18.48 H new ATOM 0 HG12 VAL B 82 5.724 24.640 -2.983 1.00 18.48 H new ATOM 0 HG13 VAL B 82 5.996 24.300 -1.460 1.00 18.48 H new ATOM 0 HG21 VAL B 82 8.827 25.112 -1.336 1.00 14.82 H new ATOM 0 HG22 VAL B 82 8.335 23.744 -0.707 1.00 14.82 H new ATOM 0 HG23 VAL B 82 9.509 23.750 -1.770 1.00 14.82 H new ATOM 1386 N ASN B 83 8.976 22.251 -4.757 1.00 11.10 N ATOM 1387 CA ASN B 83 10.220 21.811 -5.371 1.00 10.51 C ATOM 1388 C ASN B 83 11.280 22.618 -4.660 1.00 9.64 C ATOM 1389 O ASN B 83 11.203 23.849 -4.625 1.00 11.53 O ATOM 1390 CB ASN B 83 10.245 22.139 -6.863 1.00 10.65 C ATOM 1391 CG ASN B 83 9.318 21.264 -7.651 1.00 12.52 C ATOM 1392 OD1 ASN B 83 9.386 20.040 -7.557 1.00 14.22 O ATOM 1393 ND2 ASN B 83 8.441 21.875 -8.431 1.00 14.45 N ATOM 0 H ASN B 83 8.467 22.718 -5.269 1.00 11.10 H new ATOM 0 HA ASN B 83 10.344 20.852 -5.295 1.00 10.51 H new ATOM 0 HB2 ASN B 83 9.998 23.068 -6.992 1.00 10.65 H new ATOM 0 HB3 ASN B 83 11.149 22.036 -7.200 1.00 10.65 H new ATOM 0 HD21 ASN B 83 7.887 21.413 -8.899 1.00 14.45 H new ATOM 0 HD22 ASN B 83 8.425 22.734 -8.469 1.00 14.45 H new ATOM 1394 N ILE B 84 12.262 21.925 -4.097 1.00 8.74 N ATOM 1395 CA ILE B 84 13.328 22.562 -3.342 1.00 9.05 C ATOM 1396 C ILE B 84 14.696 22.452 -3.998 1.00 10.06 C ATOM 1397 O ILE B 84 15.112 21.365 -4.369 1.00 11.16 O ATOM 1398 CB ILE B 84 13.460 21.920 -1.934 1.00 8.49 C ATOM 1399 CG1 ILE B 84 12.165 22.109 -1.144 1.00 8.02 C ATOM 1400 CG2 ILE B 84 14.652 22.506 -1.202 1.00 6.57 C ATOM 1401 CD1 ILE B 84 12.088 21.249 0.104 1.00 11.96 C ATOM 0 H ILE B 84 12.328 21.069 -4.143 1.00 8.74 H new ATOM 0 HA ILE B 84 13.074 23.497 -3.297 1.00 9.05 H new ATOM 0 HB ILE B 84 13.611 20.967 -2.030 1.00 8.49 H new ATOM 0 HG12 ILE B 84 12.082 23.042 -0.891 1.00 8.02 H new ATOM 0 HG13 ILE B 84 11.411 21.902 -1.718 1.00 8.02 H new ATOM 0 HG21 ILE B 84 14.725 22.099 -0.325 1.00 6.57 H new ATOM 0 HG22 ILE B 84 15.461 22.331 -1.708 1.00 6.57 H new ATOM 0 HG23 ILE B 84 14.533 23.464 -1.104 1.00 6.57 H new ATOM 0 HD11 ILE B 84 11.247 21.413 0.559 1.00 11.96 H new ATOM 0 HD12 ILE B 84 12.143 20.313 -0.144 1.00 11.96 H new ATOM 0 HD13 ILE B 84 12.824 21.470 0.696 1.00 11.96 H new ATOM 1402 N ILE B 85 15.384 23.582 -4.138 1.00 9.31 N ATOM 1403 CA ILE B 85 16.736 23.580 -4.671 1.00 11.28 C ATOM 1404 C ILE B 85 17.618 23.823 -3.441 1.00 10.72 C ATOM 1405 O ILE B 85 17.662 24.934 -2.913 1.00 11.00 O ATOM 1406 CB ILE B 85 16.993 24.719 -5.675 1.00 10.31 C ATOM 1407 CG1 ILE B 85 16.046 24.608 -6.884 1.00 11.22 C ATOM 1408 CG2 ILE B 85 18.446 24.648 -6.154 1.00 13.31 C ATOM 1409 CD1 ILE B 85 16.123 23.274 -7.611 1.00 11.40 C ATOM 0 H ILE B 85 15.083 24.360 -3.929 1.00 9.31 H new ATOM 0 HA ILE B 85 16.909 22.753 -5.147 1.00 11.28 H new ATOM 0 HB ILE B 85 16.828 25.567 -5.234 1.00 10.31 H new ATOM 0 HG12 ILE B 85 15.135 24.750 -6.583 1.00 11.22 H new ATOM 0 HG13 ILE B 85 16.252 25.319 -7.510 1.00 11.22 H new ATOM 0 HG21 ILE B 85 18.614 25.364 -6.787 1.00 13.31 H new ATOM 0 HG22 ILE B 85 19.042 24.742 -5.395 1.00 13.31 H new ATOM 0 HG23 ILE B 85 18.604 23.793 -6.584 1.00 13.31 H new ATOM 0 HD11 ILE B 85 15.503 23.276 -8.357 1.00 11.40 H new ATOM 0 HD12 ILE B 85 17.025 23.137 -7.941 1.00 11.40 H new ATOM 0 HD13 ILE B 85 15.890 22.558 -6.999 1.00 11.40 H new ATOM 1410 N GLY B 86 18.292 22.772 -2.991 1.00 10.86 N ATOM 1411 CA GLY B 86 19.154 22.846 -1.822 1.00 11.96 C ATOM 1412 C GLY B 86 20.587 23.231 -2.140 1.00 12.73 C ATOM 1413 O GLY B 86 20.945 23.484 -3.295 1.00 10.38 O ATOM 0 H GLY B 86 18.262 21.994 -3.357 1.00 10.86 H new ATOM 0 HA2 GLY B 86 18.785 23.492 -1.199 1.00 11.96 H new ATOM 0 HA3 GLY B 86 19.151 21.986 -1.374 1.00 11.96 H new ATOM 1414 N ARG B 87 21.420 23.266 -1.108 1.00 12.07 N ATOM 1415 CA ARG B 87 22.806 23.677 -1.277 1.00 12.75 C ATOM 1416 C ARG B 87 23.646 22.923 -2.307 1.00 11.33 C ATOM 1417 O ARG B 87 24.525 23.512 -2.928 1.00 12.41 O ATOM 1418 CB ARG B 87 23.521 23.670 0.084 1.00 11.66 C ATOM 1419 CG ARG B 87 23.069 24.799 1.010 1.00 11.11 C ATOM 1420 CD ARG B 87 23.868 24.842 2.315 1.00 9.71 C ATOM 1421 NE ARG B 87 23.880 23.553 2.987 1.00 8.97 N ATOM 1422 CZ ARG B 87 24.879 22.683 2.938 1.00 8.94 C ATOM 1423 NH1 ARG B 87 24.777 21.531 3.588 1.00 10.71 N ATOM 1424 NH2 ARG B 87 25.985 22.971 2.266 1.00 7.34 N ATOM 0 H ARG B 87 21.203 23.056 -0.303 1.00 12.07 H new ATOM 0 HA ARG B 87 22.735 24.569 -1.651 1.00 12.75 H new ATOM 0 HB2 ARG B 87 23.363 22.819 0.521 1.00 11.66 H new ATOM 0 HB3 ARG B 87 24.478 23.741 -0.060 1.00 11.66 H new ATOM 0 HG2 ARG B 87 23.162 25.648 0.549 1.00 11.11 H new ATOM 0 HG3 ARG B 87 22.127 24.688 1.214 1.00 11.11 H new ATOM 0 HD2 ARG B 87 24.779 25.117 2.127 1.00 9.71 H new ATOM 0 HD3 ARG B 87 23.486 25.510 2.905 1.00 9.71 H new ATOM 0 HE ARG B 87 23.188 23.339 3.451 1.00 8.97 H new ATOM 0 HH11 ARG B 87 24.066 21.352 4.038 1.00 10.71 H new ATOM 0 HH12 ARG B 87 25.422 20.963 3.560 1.00 10.71 H new ATOM 0 HH21 ARG B 87 26.057 23.725 1.859 1.00 7.34 H new ATOM 0 HH22 ARG B 87 26.631 22.404 2.237 1.00 7.34 H new ATOM 1425 N ASN B 88 23.391 21.636 -2.499 1.00 11.19 N ATOM 1426 CA ASN B 88 24.192 20.873 -3.444 1.00 10.55 C ATOM 1427 C ASN B 88 24.129 21.461 -4.857 1.00 11.31 C ATOM 1428 O ASN B 88 25.094 21.368 -5.615 1.00 11.92 O ATOM 1429 CB ASN B 88 23.760 19.399 -3.450 1.00 10.57 C ATOM 1430 CG ASN B 88 22.426 19.181 -4.133 1.00 11.66 C ATOM 1431 OD1 ASN B 88 21.414 19.771 -3.756 1.00 10.60 O ATOM 1432 ND2 ASN B 88 22.418 18.324 -5.143 1.00 11.53 N ATOM 0 H ASN B 88 22.771 21.192 -2.101 1.00 11.19 H new ATOM 0 HA ASN B 88 25.115 20.927 -3.151 1.00 10.55 H new ATOM 0 HB2 ASN B 88 24.438 18.869 -3.898 1.00 10.57 H new ATOM 0 HB3 ASN B 88 23.707 19.078 -2.536 1.00 10.57 H new ATOM 0 HD21 ASN B 88 21.685 18.161 -5.563 1.00 11.53 H new ATOM 0 HD22 ASN B 88 23.145 17.930 -5.379 1.00 11.53 H new ATOM 1433 N LEU B 89 23.000 22.066 -5.209 1.00 10.12 N ATOM 1434 CA LEU B 89 22.865 22.654 -6.527 1.00 12.22 C ATOM 1435 C LEU B 89 23.094 24.160 -6.505 1.00 12.51 C ATOM 1436 O LEU B 89 23.493 24.735 -7.516 1.00 11.99 O ATOM 1437 CB LEU B 89 21.486 22.344 -7.130 1.00 12.93 C ATOM 1438 CG LEU B 89 21.203 20.859 -7.361 1.00 12.93 C ATOM 1439 CD1 LEU B 89 19.965 20.700 -8.233 1.00 12.85 C ATOM 1440 CD2 LEU B 89 22.417 20.213 -8.033 1.00 10.98 C ATOM 0 H LEU B 89 22.309 22.145 -4.703 1.00 10.12 H new ATOM 0 HA LEU B 89 23.551 22.254 -7.084 1.00 12.22 H new ATOM 0 HB2 LEU B 89 20.803 22.702 -6.542 1.00 12.93 H new ATOM 0 HB3 LEU B 89 21.405 22.811 -7.977 1.00 12.93 H new ATOM 0 HG LEU B 89 21.040 20.420 -6.511 1.00 12.93 H new ATOM 0 HD11 LEU B 89 19.789 19.757 -8.377 1.00 12.85 H new ATOM 0 HD12 LEU B 89 19.203 21.107 -7.791 1.00 12.85 H new ATOM 0 HD13 LEU B 89 20.113 21.135 -9.087 1.00 12.85 H new ATOM 0 HD21 LEU B 89 22.242 19.271 -8.181 1.00 10.98 H new ATOM 0 HD22 LEU B 89 22.586 20.648 -8.883 1.00 10.98 H new ATOM 0 HD23 LEU B 89 23.194 20.311 -7.461 1.00 10.98 H new ATOM 1441 N LEU B 90 22.845 24.797 -5.364 1.00 11.68 N ATOM 1442 CA LEU B 90 23.067 26.240 -5.258 1.00 13.42 C ATOM 1443 C LEU B 90 24.563 26.505 -5.373 1.00 14.19 C ATOM 1444 O LEU B 90 24.985 27.524 -5.919 1.00 12.62 O ATOM 1445 CB LEU B 90 22.563 26.780 -3.916 1.00 13.94 C ATOM 1446 CG LEU B 90 21.063 26.710 -3.649 1.00 14.48 C ATOM 1447 CD1 LEU B 90 20.807 27.105 -2.195 1.00 12.62 C ATOM 1448 CD2 LEU B 90 20.318 27.639 -4.619 1.00 14.26 C ATOM 0 H LEU B 90 22.551 24.421 -4.649 1.00 11.68 H new ATOM 0 HA LEU B 90 22.579 26.687 -5.967 1.00 13.42 H new ATOM 0 HB2 LEU B 90 23.016 26.295 -3.209 1.00 13.94 H new ATOM 0 HB3 LEU B 90 22.837 27.708 -3.844 1.00 13.94 H new ATOM 0 HG LEU B 90 20.735 25.809 -3.793 1.00 14.48 H new ATOM 0 HD11 LEU B 90 19.855 27.065 -2.011 1.00 12.62 H new ATOM 0 HD12 LEU B 90 21.276 26.493 -1.606 1.00 12.62 H new ATOM 0 HD13 LEU B 90 21.127 28.008 -2.044 1.00 12.62 H new ATOM 0 HD21 LEU B 90 19.365 27.591 -4.445 1.00 14.26 H new ATOM 0 HD22 LEU B 90 20.624 28.551 -4.493 1.00 14.26 H new ATOM 0 HD23 LEU B 90 20.494 27.362 -5.532 1.00 14.26 H new ATOM 1449 N THR B 91 25.368 25.590 -4.837 1.00 15.83 N ATOM 1450 CA THR B 91 26.813 25.756 -4.920 1.00 15.94 C ATOM 1451 C THR B 91 27.229 25.623 -6.381 1.00 15.11 C ATOM 1452 O THR B 91 28.085 26.352 -6.851 1.00 14.82 O ATOM 1453 CB THR B 91 27.564 24.696 -4.104 1.00 17.01 C ATOM 1454 OG1 THR B 91 27.154 23.393 -4.537 1.00 19.22 O ATOM 1455 CG2 THR B 91 27.285 24.867 -2.600 1.00 15.69 C ATOM 0 H THR B 91 25.103 24.881 -4.429 1.00 15.83 H new ATOM 0 HA THR B 91 27.037 26.628 -4.559 1.00 15.94 H new ATOM 0 HB THR B 91 28.517 24.803 -4.247 1.00 17.01 H new ATOM 0 HG1 THR B 91 26.404 23.211 -4.206 1.00 19.22 H new ATOM 0 HG21 THR B 91 27.768 24.189 -2.102 1.00 15.69 H new ATOM 0 HG22 THR B 91 27.577 25.747 -2.314 1.00 15.69 H new ATOM 0 HG23 THR B 91 26.334 24.773 -2.434 1.00 15.69 H new ATOM 1456 N GLN B 92 26.613 24.696 -7.106 1.00 15.82 N ATOM 1457 CA GLN B 92 26.963 24.522 -8.514 1.00 16.27 C ATOM 1458 C GLN B 92 26.718 25.769 -9.354 1.00 16.15 C ATOM 1459 O GLN B 92 27.457 26.038 -10.303 1.00 14.63 O ATOM 1460 CB GLN B 92 26.213 23.332 -9.118 1.00 15.04 C ATOM 1461 CG GLN B 92 26.816 22.002 -8.711 1.00 15.07 C ATOM 1462 CD GLN B 92 26.327 20.850 -9.547 1.00 14.68 C ATOM 1463 OE1 GLN B 92 26.000 21.012 -10.725 1.00 17.77 O ATOM 1464 NE2 GLN B 92 26.297 19.667 -8.953 1.00 15.78 N ATOM 0 H GLN B 92 26.002 24.167 -6.812 1.00 15.82 H new ATOM 0 HA GLN B 92 27.917 24.350 -8.533 1.00 16.27 H new ATOM 0 HB2 GLN B 92 25.285 23.362 -8.838 1.00 15.04 H new ATOM 0 HB3 GLN B 92 26.221 23.405 -10.085 1.00 15.04 H new ATOM 0 HG2 GLN B 92 27.782 22.057 -8.779 1.00 15.07 H new ATOM 0 HG3 GLN B 92 26.607 21.830 -7.780 1.00 15.07 H new ATOM 0 HE21 GLN B 92 26.533 19.593 -8.129 1.00 15.78 H new ATOM 0 HE22 GLN B 92 26.042 18.972 -9.391 1.00 15.78 H new ATOM 1465 N ILE B 93 25.692 26.532 -9.001 1.00 15.75 N ATOM 1466 CA ILE B 93 25.374 27.745 -9.737 1.00 17.35 C ATOM 1467 C ILE B 93 26.007 28.984 -9.099 1.00 18.38 C ATOM 1468 O ILE B 93 25.689 30.110 -9.466 1.00 19.88 O ATOM 1469 CB ILE B 93 23.837 27.949 -9.849 1.00 17.00 C ATOM 1470 CG1 ILE B 93 23.241 28.295 -8.484 1.00 15.35 C ATOM 1471 CG2 ILE B 93 23.186 26.676 -10.388 1.00 17.57 C ATOM 1472 CD1 ILE B 93 21.722 28.478 -8.508 1.00 16.07 C ATOM 0 H ILE B 93 25.169 26.365 -8.339 1.00 15.75 H new ATOM 0 HA ILE B 93 25.746 27.634 -10.626 1.00 17.35 H new ATOM 0 HB ILE B 93 23.665 28.684 -10.458 1.00 17.00 H new ATOM 0 HG12 ILE B 93 23.465 27.592 -7.854 1.00 15.35 H new ATOM 0 HG13 ILE B 93 23.652 29.110 -8.157 1.00 15.35 H new ATOM 0 HG21 ILE B 93 22.227 26.807 -10.457 1.00 17.57 H new ATOM 0 HG22 ILE B 93 23.548 26.474 -11.265 1.00 17.57 H new ATOM 0 HG23 ILE B 93 23.369 25.938 -9.785 1.00 17.57 H new ATOM 0 HD11 ILE B 93 21.408 28.695 -7.616 1.00 16.07 H new ATOM 0 HD12 ILE B 93 21.492 29.199 -9.115 1.00 16.07 H new ATOM 0 HD13 ILE B 93 21.302 27.657 -8.808 1.00 16.07 H new ATOM 1473 N GLY B 94 26.897 28.766 -8.139 1.00 18.21 N ATOM 1474 CA GLY B 94 27.574 29.872 -7.484 1.00 18.34 C ATOM 1475 C GLY B 94 26.708 30.828 -6.681 1.00 19.34 C ATOM 1476 O GLY B 94 27.000 32.030 -6.623 1.00 19.18 O ATOM 0 H GLY B 94 27.122 27.986 -7.854 1.00 18.21 H new ATOM 0 HA2 GLY B 94 28.248 29.505 -6.891 1.00 18.34 H new ATOM 0 HA3 GLY B 94 28.041 30.385 -8.162 1.00 18.34 H new ATOM 1477 N CYS B 95 25.659 30.312 -6.045 1.00 17.63 N ATOM 1478 CA CYS B 95 24.775 31.161 -5.262 1.00 18.04 C ATOM 1479 C CYS B 95 25.339 31.391 -3.868 1.00 17.49 C ATOM 1480 O CYS B 95 25.810 30.456 -3.221 1.00 17.86 O ATOM 1481 CB CYS B 95 23.379 30.536 -5.157 1.00 19.57 C ATOM 1482 SG CYS B 95 22.231 31.548 -4.193 1.00 22.72 S ATOM 0 H CYS B 95 25.445 29.479 -6.055 1.00 17.63 H new ATOM 0 HA CYS B 95 24.706 32.015 -5.716 1.00 18.04 H new ATOM 0 HB2 CYS B 95 23.019 30.406 -6.048 1.00 19.57 H new ATOM 0 HB3 CYS B 95 23.451 29.659 -4.749 1.00 19.57 H new ATOM 0 HG CYS B 95 21.160 31.008 -4.150 1.00 22.72 H new ATOM 1483 N THR B 96 25.308 32.640 -3.414 1.00 17.39 N ATOM 1484 CA THR B 96 25.828 32.974 -2.090 1.00 17.22 C ATOM 1485 C THR B 96 24.866 33.907 -1.356 1.00 17.32 C ATOM 1486 O THR B 96 24.048 34.583 -1.979 1.00 16.23 O ATOM 1487 CB THR B 96 27.201 33.692 -2.177 1.00 16.34 C ATOM 1488 OG1 THR B 96 27.016 35.003 -2.714 1.00 17.22 O ATOM 1489 CG2 THR B 96 28.161 32.932 -3.086 1.00 17.66 C ATOM 0 H THR B 96 24.991 33.307 -3.854 1.00 17.39 H new ATOM 0 HA THR B 96 25.928 32.136 -1.612 1.00 17.22 H new ATOM 0 HB THR B 96 27.576 33.734 -1.284 1.00 16.34 H new ATOM 0 HG1 THR B 96 27.764 35.343 -2.888 1.00 17.22 H new ATOM 0 HG21 THR B 96 29.010 33.400 -3.124 1.00 17.66 H new ATOM 0 HG22 THR B 96 28.300 32.038 -2.735 1.00 17.66 H new ATOM 0 HG23 THR B 96 27.785 32.874 -3.978 1.00 17.66 H new ATOM 1490 N LEU B 97 24.965 33.935 -0.030 1.00 16.76 N ATOM 1491 CA LEU B 97 24.124 34.814 0.773 1.00 17.52 C ATOM 1492 C LEU B 97 24.891 36.113 0.987 1.00 17.95 C ATOM 1493 O LEU B 97 26.085 36.104 1.284 1.00 17.45 O ATOM 1494 CB LEU B 97 23.791 34.166 2.123 1.00 18.89 C ATOM 1495 CG LEU B 97 22.716 33.077 2.086 1.00 18.31 C ATOM 1496 CD1 LEU B 97 22.547 32.456 3.463 1.00 18.46 C ATOM 1497 CD2 LEU B 97 21.402 33.693 1.615 1.00 19.45 C ATOM 0 H LEU B 97 25.514 33.452 0.423 1.00 16.76 H new ATOM 0 HA LEU B 97 23.285 34.982 0.317 1.00 17.52 H new ATOM 0 HB2 LEU B 97 24.604 33.784 2.489 1.00 18.89 H new ATOM 0 HB3 LEU B 97 23.504 34.861 2.735 1.00 18.89 H new ATOM 0 HG LEU B 97 22.984 32.377 1.470 1.00 18.31 H new ATOM 0 HD11 LEU B 97 21.864 31.768 3.426 1.00 18.46 H new ATOM 0 HD12 LEU B 97 23.387 32.062 3.746 1.00 18.46 H new ATOM 0 HD13 LEU B 97 22.282 33.141 4.097 1.00 18.46 H new ATOM 0 HD21 LEU B 97 20.715 33.009 1.589 1.00 19.45 H new ATOM 0 HD22 LEU B 97 21.135 34.395 2.229 1.00 19.45 H new ATOM 0 HD23 LEU B 97 21.519 34.067 0.728 1.00 19.45 H new ATOM 1498 N ASN B 98 24.210 37.235 0.828 1.00 18.39 N ATOM 1499 CA ASN B 98 24.874 38.514 0.987 1.00 21.12 C ATOM 1500 C ASN B 98 24.119 39.521 1.834 1.00 22.17 C ATOM 1501 O ASN B 98 22.897 39.617 1.772 1.00 22.64 O ATOM 1502 CB ASN B 98 25.141 39.126 -0.390 1.00 20.06 C ATOM 1503 CG ASN B 98 26.126 38.319 -1.196 1.00 18.58 C ATOM 1504 OD1 ASN B 98 27.285 38.696 -1.320 1.00 21.10 O ATOM 1505 ND2 ASN B 98 25.675 37.193 -1.738 1.00 16.61 N ATOM 0 H ASN B 98 23.374 37.278 0.631 1.00 18.39 H new ATOM 0 HA ASN B 98 25.697 38.323 1.463 1.00 21.12 H new ATOM 0 HB2 ASN B 98 24.306 39.194 -0.879 1.00 20.06 H new ATOM 0 HB3 ASN B 98 25.479 40.028 -0.280 1.00 20.06 H new ATOM 0 HD21 ASN B 98 26.204 36.695 -2.198 1.00 16.61 H new ATOM 0 HD22 ASN B 98 24.854 36.962 -1.628 1.00 16.61 H new ATOM 1506 N PHE B 99 24.871 40.267 2.630 1.00 24.71 N ATOM 1507 CA PHE B 99 24.313 41.320 3.460 1.00 28.48 C ATOM 1508 C PHE B 99 25.436 42.170 4.027 1.00 29.50 C ATOM 1509 O PHE B 99 26.595 41.950 3.610 1.00 29.60 O ATOM 1510 CB PHE B 99 23.437 40.749 4.585 1.00 31.25 C ATOM 1511 CG PHE B 99 24.127 39.744 5.464 1.00 33.33 C ATOM 1512 CD1 PHE B 99 23.986 38.379 5.227 1.00 33.32 C ATOM 1513 CD2 PHE B 99 24.887 40.160 6.555 1.00 34.50 C ATOM 1514 CE1 PHE B 99 24.585 37.441 6.061 1.00 33.91 C ATOM 1515 CE2 PHE B 99 25.491 39.229 7.395 1.00 35.21 C ATOM 1516 CZ PHE B 99 25.338 37.863 7.147 1.00 35.03 C ATOM 1517 OXT PHE B 99 25.145 43.060 4.853 1.00 31.81 O ATOM 0 H PHE B 99 25.723 40.176 2.704 1.00 24.71 H new ATOM 0 HA PHE B 99 23.741 41.875 2.908 1.00 28.48 H new ATOM 0 HB2 PHE B 99 23.121 41.482 5.137 1.00 31.25 H new ATOM 0 HB3 PHE B 99 22.654 40.333 4.191 1.00 31.25 H new ATOM 0 HD1 PHE B 99 23.483 38.090 4.500 1.00 33.32 H new ATOM 0 HD2 PHE B 99 24.992 41.069 6.724 1.00 34.50 H new ATOM 0 HE1 PHE B 99 24.481 36.533 5.891 1.00 33.91 H new ATOM 0 HE2 PHE B 99 25.996 39.516 8.121 1.00 35.21 H new ATOM 0 HZ PHE B 99 25.739 37.239 7.708 1.00 35.03 H new TER 1518 PHE B 99 HETATM 1519 C1 BH0 B1000 14.053 22.946 5.613 1.00 18.77 C HETATM 1520 C2 BH0 B1000 14.410 23.540 7.012 1.00 20.32 C HETATM 1521 C3 BH0 B1000 14.982 22.479 7.941 1.00 19.67 C HETATM 1522 C4 BH0 B1000 16.325 22.030 7.788 1.00 19.32 C HETATM 1523 C5 BH0 B1000 16.859 21.037 8.642 1.00 18.03 C HETATM 1524 C6 BH0 B1000 16.052 20.477 9.665 1.00 19.51 C HETATM 1525 C7 BH0 B1000 14.713 20.912 9.831 1.00 18.52 C HETATM 1526 C8 BH0 B1000 14.181 21.906 8.976 1.00 20.81 C HETATM 1527 C9 BH0 B1000 13.642 24.028 4.543 1.00 20.18 C HETATM 1528 O1 BH0 B1000 14.652 25.007 4.465 1.00 18.34 O HETATM 1529 C10 BH0 B1000 12.306 24.756 4.825 1.00 20.92 C HETATM 1530 N1 BH0 B1000 11.250 23.767 4.877 1.00 22.00 N HETATM 1531 S1 BH0 B1000 10.425 23.224 3.431 1.00 22.50 S HETATM 1532 O2 BH0 B1000 11.391 23.214 2.370 1.00 23.53 O HETATM 1533 N2 BH0 B1000 11.008 23.014 6.052 1.00 20.70 N HETATM 1534 N3 BH0 B1000 13.053 21.786 5.824 1.00 19.11 N HETATM 1535 C11 BH0 B1000 11.746 21.909 6.313 1.00 20.33 C HETATM 1536 O3 BH0 B1000 11.254 20.986 6.974 1.00 19.29 O HETATM 1537 C14 BH0 B1000 13.469 20.357 5.581 1.00 16.57 C HETATM 1538 C15 BH0 B1000 9.858 23.370 6.921 1.00 19.82 C HETATM 1539 C12 BH0 B1000 9.113 24.374 3.111 1.00 23.58 C HETATM 1540 C17 BH0 B1000 14.174 20.178 3.131 1.00 15.62 C HETATM 1541 C18 BH0 B1000 15.112 19.791 2.145 1.00 15.25 C HETATM 1542 C19 BH0 B1000 16.340 19.196 2.523 1.00 14.53 C HETATM 1543 C20 BH0 B1000 16.633 18.988 3.897 1.00 15.55 C HETATM 1544 C21 BH0 B1000 15.695 19.374 4.880 1.00 14.45 C HETATM 1545 C22 BH0 B1000 14.458 19.972 4.509 1.00 15.39 C HETATM 1546 C23 BH0 B1000 10.735 25.457 8.110 1.00 19.88 C HETATM 1547 C24 BH0 B1000 10.568 26.798 8.550 1.00 18.96 C HETATM 1548 C25 BH0 B1000 9.366 27.489 8.270 1.00 18.94 C HETATM 1549 C26 BH0 B1000 8.335 26.842 7.551 1.00 19.38 C HETATM 1550 C27 BH0 B1000 8.505 25.511 7.118 1.00 18.76 C HETATM 1551 C28 BH0 B1000 9.704 24.801 7.388 1.00 18.80 C HETATM 1552 O4 BH0 B1000 17.261 18.819 1.566 1.00 14.60 O HETATM 1553 O5 BH0 B1000 9.192 28.794 8.693 1.00 19.49 O HETATM 1554 C31 BH0 B1000 9.334 25.498 2.283 1.00 23.43 C HETATM 1555 C32 BH0 B1000 7.835 24.149 3.692 1.00 22.97 C HETATM 1556 O8 BH0 B1000 9.758 22.016 3.833 1.00 22.23 O HETATM 1557 C33 BH0 B1000 8.264 26.402 2.040 1.00 25.07 C HETATM 1558 C34 BH0 B1000 6.773 25.057 3.445 1.00 26.36 C HETATM 1559 C13 BH0 B1000 6.985 26.191 2.616 1.00 24.82 C HETATM 1560 C16 BH0 B1000 8.489 27.545 1.206 1.00 27.48 C HETATM 1561 N4 BH0 B1000 8.667 28.494 0.563 1.00 29.53 N HETATM 0 H334 BH0 B1000 5.902 24.903 3.842 1.00 26.36 H new HETATM 0 H332 BH0 B1000 7.689 23.374 4.257 1.00 22.97 H new HETATM 0 H331 BH0 B1000 10.205 25.651 1.885 1.00 23.43 H new HETATM 0 H227 BH0 B1000 7.791 25.074 6.628 1.00 18.76 H new HETATM 0 H226 BH0 B1000 7.510 27.314 7.355 1.00 19.38 H new HETATM 0 H224 BH0 B1000 11.278 27.239 9.042 1.00 18.96 H new HETATM 0 H223 BH0 B1000 11.560 24.986 8.305 1.00 19.88 H new HETATM 0 H221 BH0 B1000 15.896 19.230 5.818 1.00 14.45 H new HETATM 0 H220 BH0 B1000 17.474 18.582 4.159 1.00 15.55 H new HETATM 0 H152 BH0 B1000 9.047 23.128 6.447 1.00 19.82 H new HETATM 0 H151 BH0 B1000 9.903 22.808 7.710 1.00 19.82 H new HETATM 0 H142 BH0 B1000 13.826 20.025 6.420 1.00 16.57 H new HETATM 0 H141 BH0 B1000 12.657 19.858 5.401 1.00 16.57 H new HETATM 0 H118 BH0 B1000 14.913 19.934 1.206 1.00 15.25 H new HETATM 0 H117 BH0 B1000 13.334 20.585 2.866 1.00 15.62 H new HETATM 0 H113 BH0 B1000 6.262 26.815 2.445 1.00 24.82 H new HETATM 0 H102 BH0 B1000 12.356 25.241 5.664 1.00 20.92 H new HETATM 0 H101 BH0 B1000 12.124 25.408 4.131 1.00 20.92 H new HETATM 0 HO3 BH0 B1000 14.495 25.617 5.021 1.00 18.34 H new HETATM 0 HO2 BH0 B1000 17.152 19.283 0.874 1.00 14.60 H new HETATM 0 HO1 BH0 B1000 9.933 29.115 8.925 1.00 19.49 H new HETATM 0 H99 BH0 B1000 13.525 23.536 3.715 1.00 20.18 H new HETATM 0 H88 BH0 B1000 13.264 22.201 9.094 1.00 20.81 H new HETATM 0 H77 BH0 B1000 14.162 20.528 10.531 1.00 18.52 H new HETATM 0 H66 BH0 B1000 16.417 19.796 10.252 1.00 19.51 H new HETATM 0 H55 BH0 B1000 17.775 20.740 8.528 1.00 18.03 H new HETATM 0 H44 BH0 B1000 16.880 22.410 7.089 1.00 19.32 H new HETATM 0 H22 BH0 B1000 15.053 24.258 6.905 1.00 20.32 H new HETATM 0 H21 BH0 B1000 13.616 23.928 7.412 1.00 20.32 H new HETATM 0 H11 BH0 B1000 14.848 22.575 5.199 1.00 18.77 H new HETATM 1562 O HOH A 102 27.475 21.840 6.764 1.00 10.20 O HETATM 1563 O HOH A 104 33.534 26.857 2.774 1.00 10.04 O HETATM 1564 O HOH A 105 7.478 39.433 11.439 1.00 13.05 O HETATM 1565 O HOH A 107 16.065 40.477 1.240 1.00 17.47 O HETATM 1566 O HOH A 108 27.615 35.101 13.458 1.00 32.24 O HETATM 1567 O HOH A 111 13.692 45.134 12.008 1.00 14.62 O HETATM 1568 O HOH A 119 -0.522 29.152 9.496 1.00 27.77 O HETATM 1569 O HOH A 123 12.230 40.990 22.479 1.00 20.27 O HETATM 1570 O HOH A 125 16.152 43.094 2.462 1.00 13.09 O HETATM 1571 O HOH A 128 14.553 29.930 27.544 1.00 29.18 O HETATM 1572 O HOH A 129 22.334 26.529 19.938 1.00 21.78 O HETATM 1573 O HOH A 130 16.240 45.920 11.054 1.00 22.75 O HETATM 1574 O HOH A 131 12.850 22.139 21.321 1.00 17.37 O HETATM 1575 O HOH A 133 -6.386 30.420 18.798 1.00 31.63 O HETATM 1576 O HOH A 134 19.311 18.004 10.032 1.00 38.51 O HETATM 1577 O HOH A 138 4.118 26.016 7.226 1.00 34.95 O HETATM 1578 O HOH A 141 10.750 30.908 1.579 1.00 18.07 O HETATM 1579 O HOH A 142 10.022 40.262 5.720 1.00 14.71 O HETATM 1580 O HOH A 144 14.447 39.338 23.009 1.00 38.77 O HETATM 1581 O HOH A 145 31.310 31.662 4.618 1.00 34.38 O HETATM 1582 O HOH A 147 27.001 32.315 -10.599 1.00 19.79 O HETATM 1583 O HOH A 149 31.986 27.349 6.350 1.00 27.81 O HETATM 1584 O HOH A 150 -3.694 22.571 18.365 1.00 27.30 O HETATM 1585 O HOH A 152 19.554 45.456 11.085 1.00 34.41 O HETATM 1586 O HOH A 156 1.975 16.872 15.266 1.00 42.71 O HETATM 1587 O HOH A 160 6.320 29.394 8.892 1.00 32.47 O HETATM 1588 O HOH A 161 4.089 19.294 17.360 1.00 13.21 O HETATM 1589 O HOH A 162 28.176 30.844 14.166 1.00 42.15 O HETATM 1590 O HOH A 164 4.533 33.655 7.272 1.00 30.95 O HETATM 1591 O HOH A 171 7.658 35.889 5.463 1.00 32.57 O HETATM 1592 O HOH A 172 -0.671 34.079 25.499 1.00 26.66 O HETATM 1593 O HOH A 173 2.614 15.893 10.807 1.00 29.61 O HETATM 1594 O HOH A 175 33.806 28.944 -4.239 1.00 33.40 O HETATM 1595 O HOH A 177 16.020 27.598 20.422 1.00 28.42 O HETATM 1596 O HOH A 178 8.577 33.926 12.446 1.00 23.26 O HETATM 1597 O HOH A 180 28.571 25.397 8.527 1.00 25.48 O HETATM 1598 O HOH A 183 5.090 13.217 10.988 1.00 39.08 O HETATM 1599 O HOH A 184 33.385 34.044 -0.011 1.00 36.35 O HETATM 1600 O HOH A 188 8.276 12.360 9.969 1.00 29.41 O HETATM 1601 O HOH A 193 8.806 28.293 4.641 1.00 25.85 O HETATM 1602 O HOH A 194 9.385 37.825 4.445 1.00 26.20 O HETATM 1603 O HOH A 196 -4.098 34.440 14.810 1.00 42.10 O HETATM 1604 O HOH A 198 5.410 38.109 29.526 1.00 36.45 O HETATM 1605 O HOH A 200 1.227 36.250 18.347 1.00 28.35 O HETATM 1606 O HOH A 201 19.048 26.038 20.894 1.00 24.78 O HETATM 1607 O HOH A 202 4.812 32.817 26.745 1.00 31.13 O HETATM 1608 O HOH A 204 29.482 35.156 25.157 1.00 47.81 O HETATM 1609 O HOH A 205 -5.680 39.608 23.703 1.00 43.28 O HETATM 1610 O HOH A 206 21.912 46.499 14.320 1.00 47.34 O HETATM 1611 O HOH A 207 1.168 26.185 7.994 1.00 49.55 O HETATM 1612 O HOH A 208 7.546 15.303 3.962 1.00 29.13 O HETATM 1613 O HOH A 209 22.569 42.037 0.366 1.00 35.26 O HETATM 1614 O HOH B 100 25.089 16.825 -5.987 1.00 3.42 O HETATM 1615 O HOH B 101 15.555 45.394 0.157 1.00 2.06 O HETATM 1616 O HOH B 103 16.979 16.526 -17.125 1.00 12.18 O HETATM 1617 O HOH B 106 5.895 34.697 -1.115 1.00 13.18 O HETATM 1618 O HOH B 109 20.127 7.801 4.140 1.00 15.60 O HETATM 1619 O HOH B 110 5.812 23.639 -11.068 1.00 14.89 O HETATM 1620 O HOH B 112 19.929 16.307 -3.686 1.00 11.59 O HETATM 1621 O HOH B 113 26.937 19.325 -6.122 1.00 23.57 O HETATM 1622 O HOH B 114 8.751 17.852 -9.499 1.00 12.80 O HETATM 1623 O HOH B 115 15.995 27.280 -16.174 1.00 27.32 O HETATM 1624 O HOH B 116 7.548 22.754 -19.792 1.00 14.34 O HETATM 1625 O HOH B 117 25.018 13.468 -8.526 1.00 14.69 O HETATM 1626 O HOH B 118 27.405 15.525 -11.621 1.00 14.58 O HETATM 1627 O HOH B 120 20.499 1.968 -7.287 1.00 24.42 O HETATM 1628 O HOH B 121 19.006 20.568 5.680 1.00 13.71 O HETATM 1629 O HOH B 122 14.457 16.029 11.049 1.00 14.91 O HETATM 1630 O HOH B 124 24.863 27.523 -17.310 1.00 21.70 O HETATM 1631 O HOH B 126 6.369 20.584 -10.113 1.00 22.80 O HETATM 1632 O HOH B 127 11.477 39.431 -2.652 1.00 16.24 O HETATM 1633 O HOH B 132 28.122 29.049 -2.734 1.00 14.52 O HETATM 1634 O HOH B 135 15.138 21.652 -23.414 1.00 19.39 O HETATM 1635 O HOH B 136 18.144 17.977 6.924 1.00 20.38 O HETATM 1636 O HOH B 137 27.711 34.620 -5.631 1.00 27.09 O HETATM 1637 O HOH B 139 12.226 36.321 -3.175 1.00 24.88 O HETATM 1638 O HOH B 140 21.474 24.012 4.717 1.00 16.32 O HETATM 1639 O HOH B 143 6.102 26.713 -5.511 1.00 27.81 O HETATM 1640 O HOH B 146 7.373 24.220 -6.183 1.00 22.49 O HETATM 1641 O HOH B 148 16.077 19.382 -19.332 1.00 22.44 O HETATM 1642 O HOH B 151 20.865 -1.126 -5.691 1.00 25.73 O HETATM 1643 O HOH B 153 7.532 34.518 -4.881 1.00 17.28 O HETATM 1644 O HOH B 154 4.022 15.796 -8.974 1.00 31.19 O HETATM 1645 O HOH B 155 11.712 36.134 -5.857 1.00 28.44 O HETATM 1646 O HOH B 157 8.885 8.135 4.474 1.00 29.47 O HETATM 1647 O HOH B 158 24.090 18.097 7.130 1.00 37.86 O HETATM 1648 O HOH B 159 5.230 28.370 -3.446 1.00 39.50 O HETATM 1649 O HOH B 163 11.437 10.728 12.111 1.00 32.13 O HETATM 1650 O HOH B 165 13.479 32.413 -13.003 1.00 25.07 O HETATM 1651 O HOH B 166 4.590 18.565 -9.565 1.00 30.36 O HETATM 1652 O HOH B 167 9.570 7.878 -2.545 1.00 42.39 O HETATM 1653 O HOH B 168 13.932 40.211 -5.999 1.00 37.51 O HETATM 1654 O HOH B 169 19.188 41.326 -10.326 1.00 32.14 O HETATM 1655 O HOH B 170 16.513 27.575 -21.227 1.00 21.22 O HETATM 1656 O HOH B 174 10.893 20.501 -23.865 1.00 18.38 O HETATM 1657 O HOH B 176 21.960 6.889 -0.162 1.00 35.27 O HETATM 1658 O HOH B 179 15.832 39.379 -9.411 1.00 41.21 O HETATM 1659 O HOH B 181 18.946 15.041 6.806 1.00 28.67 O HETATM 1660 O HOH B 182 27.166 20.215 3.796 1.00 25.05 O HETATM 1661 O HOH B 185 6.095 14.055 -4.337 1.00 30.77 O HETATM 1662 O HOH B 186 21.140 7.175 -7.431 1.00 31.68 O HETATM 1663 O HOH B 187 22.835 44.255 3.559 1.00 44.88 O HETATM 1664 O HOH B 189 3.021 29.241 -6.370 1.00 47.90 O HETATM 1665 O HOH B 190 25.399 8.468 -4.667 1.00 37.57 O HETATM 1666 O HOH B 191 22.162 14.809 3.080 1.00 28.35 O HETATM 1667 O HOH B 192 13.352 44.560 -3.474 1.00 40.79 O HETATM 1668 O HOH B 195 7.844 13.446 -15.067 1.00 39.30 O HETATM 1669 O HOH B 197 26.877 29.048 -12.946 1.00 32.12 O HETATM 1670 O HOH B 199 18.362 34.269 -16.373 1.00 36.36 O HETATM 1671 O HOH B 203 29.527 28.025 -4.937 1.00 32.86 O HETATM 1672 O HOH B 210 6.416 11.385 -3.620 1.00 40.89 O HETATM 1673 O HOH B 211 7.978 8.662 1.736 1.00 35.54 O CONECT 1519 1520 1527 1534 CONECT 1520 1519 1521 CONECT 1521 1520 1522 1526 CONECT 1522 1521 1523 CONECT 1523 1522 1524 CONECT 1524 1523 1525 CONECT 1525 1524 1526 CONECT 1526 1521 1525 CONECT 1527 1519 1528 1529 CONECT 1528 1527 CONECT 1529 1527 1530 CONECT 1530 1529 1531 1533 CONECT 1531 1530 1532 1539 1556 CONECT 1532 1531 CONECT 1533 1530 1535 1538 CONECT 1534 1519 1535 1537 CONECT 1535 1533 1534 1536 CONECT 1536 1535 CONECT 1537 1534 1545 CONECT 1538 1533 1551 CONECT 1539 1531 1554 1555 CONECT 1540 1541 1545 CONECT 1541 1540 1542 CONECT 1542 1541 1543 1552 CONECT 1543 1542 1544 CONECT 1544 1543 1545 CONECT 1545 1537 1540 1544 CONECT 1546 1547 1551 CONECT 1547 1546 1548 CONECT 1548 1547 1549 1553 CONECT 1549 1548 1550 CONECT 1550 1549 1551 CONECT 1551 1538 1546 1550 CONECT 1552 1542 CONECT 1553 1548 CONECT 1554 1539 1557 CONECT 1555 1539 1558 CONECT 1556 1531 CONECT 1557 1554 1559 1560 CONECT 1558 1555 1559 CONECT 1559 1557 1558 CONECT 1560 1557 1561 CONECT 1561 1560 END