USER MOD reduce.3.24.130724 H: found=0, std=0, add=1197, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 01-APR-09 3A1F TITLE THE CRYSTAL STRUCTURE OF NADPH BINDING DOMAIN OF GP91(PHOX) COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME B-245 HEAVY CHAIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 385-570; COMPND 5 SYNONYM: P22 PHAGOCYTE B-CYTOCHROME, NEUTROPHIL CYTOCHROME COMPND 6 B 91 KDA NADPH BINDING DOMAIN OF HUMAN GP91(PHOX), COMPND 7 POLYPEPTIDE, HEME-BINDING MEMBRANE GLYCOPROTEIN GP91PHOX, COMPND 8 CGD91-PHOX, GP91-PHOX, GP91-1, CYTOCHROME B(558) SUBUNIT COMPND 9 BETA, CYTOCHROME B558 SUBUNIT BETA, SUPEROXIDE-GENERATING COMPND 0 NADPH OXIDASE HEAVY CHAIN SUBUNIT, NADPH OXIDASE 2; COMPND 1 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX6P-1 KEYWDS GP91(PHOX), NADPH BINDING DOMAIN, OXIDOREDUCTASE EXPDTA X-RAY DIFFRACTION AUTHOR K.HONBOU REVDAT 1 07-APR-10 3A1F 0 JRNL AUTH K.HONBOU,N.N.NODA,H.SUMIMOTO,F.INAGAKI JRNL TITL CRYSTAL STRUCTURE OF NADPH BINDING DOMAIN OF JRNL TITL 2 GP91(PHOX) JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 2.00 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.2 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) : 2.00 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 28.48 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 202908.860 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 97.3 REMARK 3 NUMBER OF REFLECTIONS : 12857 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.237 REMARK 3 FREE R VALUE : 0.277 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.400 REMARK 3 FREE R VALUE TEST SET COUNT : 1331 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.008 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.00 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.13 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 94.60 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1808 REMARK 3 BIN R VALUE (WORKING SET) : 0.2760 REMARK 3 BIN FREE R VALUE : 0.3000 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 10.60 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 215 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.020 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1277 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 7 REMARK 3 SOLVENT ATOMS : 72 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 24.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.80 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -3.54000 REMARK 3 B22 (A**2) : -3.54000 REMARK 3 B33 (A**2) : 7.07000 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) : 0.28 REMARK 3 ESD FROM SIGMAA (A) : 0.22 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) : 0.35 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.26 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.20 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.60 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.67 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 1.520 ; 1.500 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.330 ; 2.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 2.060 ; 2.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 2.970 ; 2.500 REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.40 REMARK 3 BSOL : 64.45 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 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : ION.TOP REMARK 3 TOPOLOGY FILE 5 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED REMARK 4 REMARK 4 3A1F COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-APR-09. REMARK 100 THE RCSB ID CODE IS RCSB028690. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 16-AUG-06 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.6 REMARK 200 NUMBER OF CRYSTALS USED : NULL 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 ULTRAX 18 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 : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS VII REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13234 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.000 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 10.300 REMARK 200 R MERGE (I) : 0.03600 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) : 2.00 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.07 REMARK 200 COMPLETENESS FOR SHELL (%) : 100.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.29400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 9.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD REMARK 200 SOFTWARE USED: SOLVE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.58 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.22 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 12% PEG 3350, 0.1M SODIUM ACETATE REMARK 280 PH 5.6, 0.4M NICL2, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE REMARK 280 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 Y,X,-Z REMARK 290 5555 X-Y,-Y,-Z+1/3 REMARK 290 6555 -X,-X+Y,-Z+2/3 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 60.26533 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 30.13267 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 30.13267 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 60.26533 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 250 LIES ON A SPECIAL POSITION. REMARK 375 NI NI A 191 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 249 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 ASP A 100 REMARK 465 GLU A 101 REMARK 465 SER A 102 REMARK 465 GLN A 103 REMARK 465 ALA A 104 REMARK 465 ASN A 105 REMARK 465 HIS A 106 REMARK 465 PHE A 107 REMARK 465 ALA A 108 REMARK 465 VAL A 109 REMARK 465 HIS A 110 REMARK 465 HIS A 111 REMARK 465 ASP A 112 REMARK 465 GLU A 113 REMARK 465 GLU A 114 REMARK 465 LYS A 115 REMARK 465 ASP A 116 REMARK 465 VAL A 117 REMARK 465 ILE A 118 REMARK 465 THR A 119 REMARK 465 GLY A 120 REMARK 465 LEU A 121 REMARK 465 LYS A 122 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 37 CG CD CE NZ REMARK 470 LYS A 51 CG CD CE NZ REMARK 470 GLN A 82 CG CD OE1 NE2 REMARK 470 ARG A 84 CG CD NE CZ NH1 NH2 REMARK 470 ASN A 85 CG OD1 ND2 REMARK 470 LYS A 124 CG CD CE NZ REMARK 470 GLU A 156 CG CD OE1 OE2 REMARK 470 GLU A 160 CG CD OE1 OE2 REMARK 470 LYS A 164 CG CD CE NZ 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 ARG A 84 38.07 -82.47 REMARK 500 ASN A 86 21.81 -155.79 REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 187 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 188 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 189 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 190 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 191 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 192 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NI A 193 DBREF 3A1F A 1 186 UNP P04839 CY24B_HUMAN 385 570 SEQRES 1 A 186 ILE ALA VAL ASP GLY PRO PHE GLY THR ALA SER GLU ASP SEQRES 2 A 186 VAL PHE SER TYR GLU VAL VAL MET LEU VAL GLY ALA GLY SEQRES 3 A 186 ILE GLY VAL THR PRO PHE ALA SER ILE LEU LYS SER VAL SEQRES 4 A 186 TRP TYR LYS TYR CYS ASN ASN ALA THR ASN LEU LYS LEU SEQRES 5 A 186 LYS LYS ILE TYR PHE TYR TRP LEU CYS ARG ASP THR HIS SEQRES 6 A 186 ALA PHE GLU TRP PHE ALA ASP LEU LEU GLN LEU LEU GLU SEQRES 7 A 186 SER GLN MET GLN GLU ARG ASN ASN ALA GLY PHE LEU SER SEQRES 8 A 186 TYR ASN ILE TYR LEU THR GLY TRP ASP GLU SER GLN ALA SEQRES 9 A 186 ASN HIS PHE ALA VAL HIS HIS ASP GLU GLU LYS ASP VAL SEQRES 10 A 186 ILE THR GLY LEU LYS GLN LYS THR LEU TYR GLY ARG PRO SEQRES 11 A 186 ASN TRP ASP ASN GLU PHE LYS THR ILE ALA SER GLN HIS SEQRES 12 A 186 PRO ASN THR ARG ILE GLY VAL PHE LEU CYS GLY PRO GLU SEQRES 13 A 186 ALA LEU ALA GLU THR LEU SER LYS GLN SER ILE SER ASN SEQRES 14 A 186 SER GLU SER GLY PRO ARG GLY VAL HIS PHE ILE PHE ASN SEQRES 15 A 186 LYS GLU ASN PHE HET NI A 187 1 HET NI A 188 1 HET NI A 189 1 HET NI A 190 1 HET NI A 191 1 HET NI A 192 1 HET NI A 193 1 HETNAM NI NICKEL (II) ION FORMUL 2 NI 7(NI 2+) FORMUL 9 HOH *72(H2 O) HELIX 1 1 GLY A 8 PHE A 15 1 8 HELIX 2 2 GLY A 28 ASN A 46 1 19 HELIX 3 3 PHE A 67 ARG A 84 1 18 HELIX 4 4 ASN A 131 HIS A 143 1 13 HELIX 5 5 PRO A 155 ASN A 169 1 15 SHEET 1 A 6 THR A 125 TYR A 127 0 SHEET 2 A 6 LEU A 90 LEU A 96 1 N ILE A 94 O LEU A 126 SHEET 3 A 6 LYS A 54 CYS A 61 1 N TRP A 59 O TYR A 95 SHEET 4 A 6 VAL A 19 ALA A 25 1 N LEU A 22 O TYR A 58 SHEET 5 A 6 ARG A 147 CYS A 153 1 O PHE A 151 N MET A 21 SHEET 6 A 6 HIS A 178 ASN A 182 1 O HIS A 178 N ILE A 148 SITE *** AC1 4 HIS A 178 HOH A 231 HOH A 247 HOH A 248 SITE *** AC2 5 THR A 48 HIS A 65 HOH A 228 HOH A 252 SITE *** AC2 5 HOH A 256 SITE *** AC3 7 GLU A 12 GLU A 68 ASP A 72 HOH A 224 SITE *** AC3 7 HOH A 229 HOH A 238 HOH A 246 SITE *** AC4 5 ILE A 1 HOH A 225 HOH A 227 HOH A 233 SITE *** AC4 5 HOH A 235 SITE *** AC5 4 HOH A 221 HOH A 249 HOH A 250 HOH A 251 SITE *** AC6 3 ASP A 13 HOH A 254 HOH A 255 SITE *** AC7 6 ALA A 2 GLY A 5 PRO A 6 PHE A 7 SITE *** AC7 6 THR A 125 HOH A 204 CRYST1 60.022 60.022 90.398 90.00 90.00 120.00 P 32 2 1 6 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 0.016661 0.009619 0.000000 0.00000 SCALE2 0.000000 0.019238 0.000000 0.00000 SCALE3 0.000000 0.000000 0.011062 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 NoAdj-H: A 178 HIS HE2 : A 178 HIS NE2 : A 187 NINI :(H bumps) USER MOD Set 1.1: A 17 TYR OH : rot -22:sc= 0.944 USER MOD Set 1.2: A 182 ASN : amide:sc= 0.197 K(o=1.1,f=2) USER MOD Set 2.1: A 137 LYS NZ :NH3+ -162:sc= -0.0376 (180deg=-0.238) USER MOD Set 2.2: A 165 GLN : amide:sc= -2.53! K(o=-2.6!,f=-0.033) USER MOD Set 2.3: A 169 ASN : amide:sc=-0.00417 K(o=-2.6,f=-0.033) USER MOD Set 3.1: A 56 TYR OH : rot -149:sc= 0.532 USER MOD Set 3.2: A 142 GLN : amide:sc= -2.22! K(o=-0.39!,f=4.3) USER MOD Set 3.3: A 143 HIS : no HD1:sc= 1.29 K(o=-0.39,f=-7.8!) USER MOD Set 4.1: A 54 LYS NZ :NH3+ -147:sc= 2.5 (180deg=-0.746) USER MOD Set 4.2: A 91 SER OG : rot -150:sc= 1.09 USER MOD Set 5.1: A 43 TYR OH : rot 152:sc= 0.566 USER MOD Set 5.2: A 86 ASN : amide:sc= -3.59! K(o=-3!,f=-1.7) USER MOD Set 6.1: A 11 SER OG : rot 123:sc= 0.244 USER MOD Set 6.2: A 38 SER OG : rot -25:sc= 1.18 USER MOD Set 6.3: A 42 LYS NZ :NH3+ 173:sc= 0.00295 (180deg=0.0017) USER MOD Single : A 1 ILE N :NH3+ -160:sc= -0.026 (180deg=-0.244) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -23:sc= 1.28 USER MOD Single : A 21 MET CE :methyl 161:sc= -0.12 (180deg=-0.514) USER MOD Single : A 30 THR OG1 : rot 87:sc= 0.384 USER MOD Single : A 34 SER OG : rot -87:sc= 1.8 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 83:sc= 0.0107 USER MOD Single : A 45 ASN : amide:sc=-0.000694 K(o=-0.00069,f=0.56) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 48 THR OG1 : rot 6:sc= 0.337! USER MOD Single : A 49 ASN : amide:sc= -0.0506 K(o=-0.051,f=-1.8) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 178:sc= 0.415 USER MOD Single : A 61 CYS SG : rot 180:sc= -0.026 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 75 GLN : amide:sc= -1.24 K(o=-1.2,f=0.67) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc=-0.00571 X(o=-0.0057,f=-0.022) USER MOD Single : A 81 MET CE :methyl 153:sc= -0.801 (180deg=-2.18!) USER MOD Single : A 92 TYR OH : rot 10:sc= 1.24 USER MOD Single : A 93 ASN : amide:sc= 0.349 X(o=0.35,f=-0.023) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.252 USER MOD Single : A 123 GLN : amide:sc= -2.24! C(o=-2.2!,f=-6.6!) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 ASN : amide:sc=-0.00243 K(o=-0.0024,f=-4.7!) USER MOD Single : A 134 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.032) USER MOD Single : A 138 THR OG1 : rot 78:sc= 0.0381 USER MOD Single : A 141 SER OG : rot -31:sc= 0.921 USER MOD Single : A 145 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.16) USER MOD Single : A 146 THR OG1 : rot -34:sc= 1.33 USER MOD Single : A 153 CYS SG : rot 120:sc= -0.273 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 SER OG : rot 75:sc= 1.02 USER MOD Single : A 166 SER OG : rot 90:sc= 1.31 USER MOD Single : A 168 SER OG : rot -76:sc= 0.581 USER MOD Single : A 170 SER OG : rot 76:sc= 1.52 USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 183 LYS NZ :NH3+ -125:sc= -0.117 (180deg=-0.467) USER MOD Single : A 185 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 36.187 -30.729 11.095 1.00 28.96 N ATOM 2 CA ILE A 1 35.421 -29.451 11.090 1.00 28.07 C ATOM 3 C ILE A 1 34.398 -29.393 9.948 1.00 31.22 C ATOM 4 O ILE A 1 34.726 -29.629 8.789 1.00 32.96 O ATOM 5 CB ILE A 1 36.393 -28.253 11.002 1.00 28.79 C ATOM 6 CG1 ILE A 1 37.114 -28.099 12.348 1.00 27.41 C ATOM 7 CG2 ILE A 1 35.646 -26.975 10.611 1.00 25.95 C ATOM 8 CD1 ILE A 1 38.172 -26.993 12.379 1.00 26.55 C ATOM 0 H1 ILE A 1 36.544 -30.858 11.900 1.00 28.96 H new ATOM 0 H2 ILE A 1 35.640 -31.404 10.902 1.00 28.96 H new ATOM 0 H3 ILE A 1 36.835 -30.689 10.486 1.00 28.96 H new ATOM 0 HA ILE A 1 34.924 -29.404 11.922 1.00 28.07 H new ATOM 0 HB ILE A 1 37.053 -28.416 10.310 1.00 28.79 H new ATOM 0 HG12 ILE A 1 36.455 -27.919 13.036 1.00 27.41 H new ATOM 0 HG13 ILE A 1 37.537 -28.942 12.574 1.00 27.41 H new ATOM 0 HG21 ILE A 1 36.272 -26.236 10.561 1.00 25.95 H new ATOM 0 HG22 ILE A 1 35.223 -27.099 9.747 1.00 25.95 H new ATOM 0 HG23 ILE A 1 34.968 -26.779 11.277 1.00 25.95 H new ATOM 0 HD11 ILE A 1 38.580 -26.959 13.259 1.00 26.55 H new ATOM 0 HD12 ILE A 1 38.853 -27.178 11.714 1.00 26.55 H new ATOM 0 HD13 ILE A 1 37.754 -26.140 12.184 1.00 26.55 H new ATOM 9 N ALA A 2 33.151 -29.078 10.283 1.00 30.29 N ATOM 10 CA ALA A 2 32.091 -29.012 9.277 1.00 30.15 C ATOM 11 C ALA A 2 31.693 -27.568 8.965 1.00 29.02 C ATOM 12 O ALA A 2 31.702 -26.713 9.846 1.00 29.51 O ATOM 13 CB ALA A 2 30.884 -29.792 9.760 1.00 29.31 C ATOM 0 H ALA A 2 32.896 -28.899 11.085 1.00 30.29 H new ATOM 0 HA ALA A 2 32.430 -29.405 8.457 1.00 30.15 H new ATOM 0 HB1 ALA A 2 30.182 -29.748 9.092 1.00 29.31 H new ATOM 0 HB2 ALA A 2 31.134 -30.718 9.905 1.00 29.31 H new ATOM 0 HB3 ALA A 2 30.563 -29.410 10.592 1.00 29.31 H new ATOM 14 N VAL A 3 31.327 -27.306 7.712 1.00 29.37 N ATOM 15 CA VAL A 3 30.937 -25.961 7.294 1.00 32.07 C ATOM 16 C VAL A 3 29.801 -25.431 8.165 1.00 32.27 C ATOM 17 O VAL A 3 29.698 -24.225 8.405 1.00 34.22 O ATOM 18 CB VAL A 3 30.478 -25.944 5.815 1.00 32.75 C ATOM 19 CG1 VAL A 3 29.240 -26.814 5.649 1.00 32.35 C ATOM 20 CG2 VAL A 3 30.191 -24.505 5.366 1.00 33.68 C ATOM 0 H VAL A 3 31.298 -27.896 7.087 1.00 29.37 H new ATOM 0 HA VAL A 3 31.718 -25.394 7.393 1.00 32.07 H new ATOM 0 HB VAL A 3 31.187 -26.302 5.258 1.00 32.75 H new ATOM 0 HG11 VAL A 3 28.956 -26.800 4.721 1.00 32.35 H new ATOM 0 HG12 VAL A 3 29.447 -27.725 5.910 1.00 32.35 H new ATOM 0 HG13 VAL A 3 28.526 -26.472 6.210 1.00 32.35 H new ATOM 0 HG21 VAL A 3 29.905 -24.506 4.439 1.00 33.68 H new ATOM 0 HG22 VAL A 3 29.490 -24.127 5.920 1.00 33.68 H new ATOM 0 HG23 VAL A 3 30.996 -23.972 5.454 1.00 33.68 H new ATOM 21 N ASP A 4 28.966 -26.343 8.653 1.00 29.78 N ATOM 22 CA ASP A 4 27.830 -25.959 9.480 1.00 31.71 C ATOM 23 C ASP A 4 28.141 -26.134 10.968 1.00 30.04 C ATOM 24 O ASP A 4 27.255 -26.022 11.810 1.00 26.82 O ATOM 25 CB ASP A 4 26.598 -26.791 9.085 1.00 31.09 C ATOM 26 CG ASP A 4 26.764 -28.268 9.399 1.00 34.70 C ATOM 27 OD1 ASP A 4 27.915 -28.753 9.381 1.00 35.20 O ATOM 28 OD2 ASP A 4 25.741 -28.947 9.647 1.00 38.25 O ATOM 0 H ASP A 4 29.040 -27.189 8.516 1.00 29.78 H new ATOM 0 HA ASP A 4 27.644 -25.019 9.329 1.00 31.71 H new ATOM 0 HB2 ASP A 4 25.819 -26.450 9.552 1.00 31.09 H new ATOM 0 HB3 ASP A 4 26.430 -26.683 8.136 1.00 31.09 H new ATOM 29 N GLY A 5 29.407 -26.402 11.279 1.00 29.61 N ATOM 30 CA GLY A 5 29.814 -26.580 12.664 1.00 28.15 C ATOM 31 C GLY A 5 30.391 -25.318 13.293 1.00 27.91 C ATOM 32 O GLY A 5 30.565 -24.312 12.609 1.00 27.95 O ATOM 0 H GLY A 5 30.041 -26.484 10.704 1.00 29.61 H new ATOM 0 HA2 GLY A 5 29.049 -26.871 13.184 1.00 28.15 H new ATOM 0 HA3 GLY A 5 30.475 -27.288 12.711 1.00 28.15 H new ATOM 33 N PRO A 6 30.712 -25.345 14.599 1.00 28.31 N ATOM 34 CA PRO A 6 31.274 -24.208 15.345 1.00 28.66 C ATOM 35 C PRO A 6 32.430 -23.458 14.669 1.00 29.59 C ATOM 36 O PRO A 6 32.549 -22.249 14.820 1.00 30.15 O ATOM 37 CB PRO A 6 31.708 -24.842 16.664 1.00 27.84 C ATOM 38 CG PRO A 6 30.694 -25.914 16.861 1.00 27.67 C ATOM 39 CD PRO A 6 30.559 -26.521 15.477 1.00 28.32 C ATOM 0 HA PRO A 6 30.613 -23.503 15.429 1.00 28.66 H new ATOM 0 HB2 PRO A 6 32.607 -25.202 16.612 1.00 27.84 H new ATOM 0 HB3 PRO A 6 31.701 -24.201 17.392 1.00 27.84 H new ATOM 0 HG2 PRO A 6 30.988 -26.570 17.513 1.00 27.67 H new ATOM 0 HG3 PRO A 6 29.851 -25.556 17.179 1.00 27.67 H new ATOM 0 HD2 PRO A 6 31.241 -27.190 15.308 1.00 28.32 H new ATOM 0 HD3 PRO A 6 29.700 -26.954 15.354 1.00 28.32 H new ATOM 40 N PHE A 7 33.286 -24.175 13.943 1.00 27.63 N ATOM 41 CA PHE A 7 34.419 -23.537 13.273 1.00 28.50 C ATOM 42 C PHE A 7 34.267 -23.531 11.756 1.00 27.81 C ATOM 43 O PHE A 7 35.226 -23.278 11.032 1.00 28.16 O ATOM 44 CB PHE A 7 35.733 -24.240 13.648 1.00 26.77 C ATOM 45 CG PHE A 7 36.061 -24.176 15.107 1.00 26.29 C ATOM 46 CD1 PHE A 7 35.796 -25.256 15.940 1.00 29.20 C ATOM 47 CD2 PHE A 7 36.627 -23.029 15.655 1.00 27.32 C ATOM 48 CE1 PHE A 7 36.090 -25.202 17.308 1.00 28.16 C ATOM 49 CE2 PHE A 7 36.925 -22.962 17.015 1.00 26.33 C ATOM 50 CZ PHE A 7 36.654 -24.055 17.844 1.00 28.24 C ATOM 0 H PHE A 7 33.230 -25.025 13.826 1.00 27.63 H new ATOM 0 HA PHE A 7 34.439 -22.616 13.576 1.00 28.50 H new ATOM 0 HB2 PHE A 7 35.680 -25.170 13.378 1.00 26.77 H new ATOM 0 HB3 PHE A 7 36.459 -23.839 13.145 1.00 26.77 H new ATOM 0 HD1 PHE A 7 35.417 -26.027 15.583 1.00 29.20 H new ATOM 0 HD2 PHE A 7 36.808 -22.299 15.108 1.00 27.32 H new ATOM 0 HE1 PHE A 7 35.908 -25.932 17.854 1.00 28.16 H new ATOM 0 HE2 PHE A 7 37.304 -22.191 17.371 1.00 26.33 H new ATOM 0 HZ PHE A 7 36.852 -24.012 18.752 1.00 28.24 H new ATOM 51 N GLY A 8 33.060 -23.824 11.281 1.00 28.19 N ATOM 52 CA GLY A 8 32.808 -23.845 9.851 1.00 27.09 C ATOM 53 C GLY A 8 32.668 -22.451 9.271 1.00 28.82 C ATOM 54 O GLY A 8 32.361 -21.486 9.979 1.00 27.32 O ATOM 0 H GLY A 8 32.378 -24.012 11.770 1.00 28.19 H new ATOM 0 HA2 GLY A 8 33.534 -24.308 9.404 1.00 27.09 H new ATOM 0 HA3 GLY A 8 31.998 -24.349 9.675 1.00 27.09 H new ATOM 55 N THR A 9 32.896 -22.339 7.968 1.00 29.46 N ATOM 56 CA THR A 9 32.806 -21.056 7.297 1.00 30.51 C ATOM 57 C THR A 9 31.439 -20.395 7.440 1.00 30.75 C ATOM 58 O THR A 9 31.354 -19.188 7.660 1.00 30.48 O ATOM 59 CB THR A 9 33.143 -21.207 5.808 1.00 31.83 C ATOM 60 OG1 THR A 9 34.525 -21.563 5.681 1.00 33.32 O ATOM 61 CG2 THR A 9 32.888 -19.910 5.059 1.00 33.57 C ATOM 0 H THR A 9 33.105 -22.997 7.456 1.00 29.46 H new ATOM 0 HA THR A 9 33.452 -20.478 7.733 1.00 30.51 H new ATOM 0 HB THR A 9 32.577 -21.897 5.427 1.00 31.83 H new ATOM 0 HG1 THR A 9 34.719 -21.649 4.868 1.00 33.32 H new ATOM 0 HG21 THR A 9 33.108 -20.029 4.122 1.00 33.57 H new ATOM 0 HG22 THR A 9 31.953 -19.666 5.143 1.00 33.57 H new ATOM 0 HG23 THR A 9 33.440 -19.206 5.433 1.00 33.57 H new ATOM 62 N ALA A 10 30.374 -21.182 7.334 1.00 30.67 N ATOM 63 CA ALA A 10 29.028 -20.630 7.440 1.00 30.82 C ATOM 64 C ALA A 10 28.783 -20.016 8.814 1.00 31.71 C ATOM 65 O ALA A 10 28.216 -18.918 8.932 1.00 29.91 O ATOM 66 CB ALA A 10 27.987 -21.721 7.149 1.00 31.15 C ATOM 0 H ALA A 10 30.408 -22.031 7.202 1.00 30.67 H new ATOM 0 HA ALA A 10 28.941 -19.923 6.782 1.00 30.82 H new ATOM 0 HB1 ALA A 10 27.096 -21.346 7.222 1.00 31.15 H new ATOM 0 HB2 ALA A 10 28.120 -22.065 6.252 1.00 31.15 H new ATOM 0 HB3 ALA A 10 28.087 -22.443 7.789 1.00 31.15 H new ATOM 67 N SER A 11 29.222 -20.719 9.853 1.00 29.21 N ATOM 68 CA SER A 11 29.050 -20.243 11.218 1.00 31.17 C ATOM 69 C SER A 11 29.848 -18.957 11.444 1.00 31.91 C ATOM 70 O SER A 11 29.365 -18.028 12.086 1.00 32.95 O ATOM 71 CB SER A 11 29.478 -21.330 12.203 1.00 32.04 C ATOM 72 OG SER A 11 29.068 -21.008 13.516 1.00 35.22 O ATOM 0 H SER A 11 29.623 -21.477 9.787 1.00 29.21 H new ATOM 0 HA SER A 11 28.113 -20.041 11.366 1.00 31.17 H new ATOM 0 HB2 SER A 11 29.094 -22.181 11.939 1.00 32.04 H new ATOM 0 HB3 SER A 11 30.442 -21.434 12.177 1.00 32.04 H new ATOM 0 HG SER A 11 28.587 -21.626 13.819 1.00 35.22 H new ATOM 73 N GLU A 12 31.066 -18.900 10.910 1.00 31.13 N ATOM 74 CA GLU A 12 31.896 -17.704 11.041 1.00 30.75 C ATOM 75 C GLU A 12 31.250 -16.510 10.336 1.00 30.15 C ATOM 76 O GLU A 12 31.227 -15.399 10.868 1.00 29.87 O ATOM 77 CB GLU A 12 33.281 -17.958 10.455 1.00 31.43 C ATOM 78 CG GLU A 12 34.193 -18.743 11.372 1.00 34.05 C ATOM 79 CD GLU A 12 35.319 -19.416 10.610 1.00 35.11 C ATOM 80 OE1 GLU A 12 35.761 -18.862 9.581 1.00 34.82 O ATOM 81 OE2 GLU A 12 35.751 -20.497 11.049 1.00 36.31 O ATOM 0 H GLU A 12 31.430 -19.542 10.469 1.00 31.13 H new ATOM 0 HA GLU A 12 31.979 -17.498 11.985 1.00 30.75 H new ATOM 0 HB2 GLU A 12 33.186 -18.438 9.617 1.00 31.43 H new ATOM 0 HB3 GLU A 12 33.698 -17.107 10.249 1.00 31.43 H new ATOM 0 HG2 GLU A 12 34.566 -18.149 12.042 1.00 34.05 H new ATOM 0 HG3 GLU A 12 33.676 -19.414 11.844 1.00 34.05 H new ATOM 82 N ASP A 13 30.735 -16.744 9.134 1.00 29.88 N ATOM 83 CA ASP A 13 30.068 -15.692 8.380 1.00 30.13 C ATOM 84 C ASP A 13 28.844 -15.164 9.129 1.00 30.73 C ATOM 85 O ASP A 13 28.630 -13.949 9.222 1.00 29.76 O ATOM 86 CB ASP A 13 29.643 -16.217 7.011 1.00 29.75 C ATOM 87 CG ASP A 13 30.803 -16.319 6.051 1.00 30.57 C ATOM 88 OD1 ASP A 13 31.845 -15.697 6.339 1.00 31.37 O ATOM 89 OD2 ASP A 13 30.670 -16.997 5.013 1.00 29.02 O ATOM 0 H ASP A 13 30.762 -17.507 8.737 1.00 29.88 H new ATOM 0 HA ASP A 13 30.697 -14.962 8.268 1.00 30.13 H new ATOM 0 HB2 ASP A 13 29.234 -17.090 7.115 1.00 29.75 H new ATOM 0 HB3 ASP A 13 28.967 -15.630 6.637 1.00 29.75 H new ATOM 90 N VAL A 14 28.041 -16.079 9.662 1.00 29.86 N ATOM 91 CA VAL A 14 26.852 -15.680 10.404 1.00 31.61 C ATOM 92 C VAL A 14 27.243 -14.783 11.573 1.00 32.07 C ATOM 93 O VAL A 14 26.609 -13.758 11.809 1.00 32.88 O ATOM 94 CB VAL A 14 26.068 -16.913 10.933 1.00 30.76 C ATOM 95 CG1 VAL A 14 25.016 -16.475 11.953 1.00 32.31 C ATOM 96 CG2 VAL A 14 25.394 -17.636 9.773 1.00 30.27 C ATOM 0 H VAL A 14 28.165 -16.928 9.606 1.00 29.86 H new ATOM 0 HA VAL A 14 26.274 -15.193 9.796 1.00 31.61 H new ATOM 0 HB VAL A 14 26.692 -17.517 11.366 1.00 30.76 H new ATOM 0 HG11 VAL A 14 24.534 -17.253 12.275 1.00 32.31 H new ATOM 0 HG12 VAL A 14 25.452 -16.033 12.699 1.00 32.31 H new ATOM 0 HG13 VAL A 14 24.394 -15.861 11.533 1.00 32.31 H new ATOM 0 HG21 VAL A 14 24.907 -18.404 10.110 1.00 30.27 H new ATOM 0 HG22 VAL A 14 24.778 -17.032 9.329 1.00 30.27 H new ATOM 0 HG23 VAL A 14 26.068 -17.933 9.141 1.00 30.27 H new ATOM 97 N PHE A 15 28.306 -15.145 12.285 1.00 34.82 N ATOM 98 CA PHE A 15 28.735 -14.358 13.437 1.00 36.76 C ATOM 99 C PHE A 15 29.414 -13.031 13.094 1.00 37.22 C ATOM 100 O PHE A 15 29.719 -12.242 13.987 1.00 40.15 O ATOM 101 CB PHE A 15 29.654 -15.186 14.347 1.00 39.88 C ATOM 102 CG PHE A 15 29.366 -15.001 15.815 1.00 42.79 C ATOM 103 CD1 PHE A 15 28.294 -15.661 16.415 1.00 44.89 C ATOM 104 CD2 PHE A 15 30.126 -14.126 16.585 1.00 45.06 C ATOM 105 CE1 PHE A 15 27.982 -15.451 17.756 1.00 44.62 C ATOM 106 CE2 PHE A 15 29.822 -13.906 17.933 1.00 46.52 C ATOM 107 CZ PHE A 15 28.746 -14.571 18.518 1.00 46.57 C ATOM 0 H PHE A 15 28.789 -15.837 12.120 1.00 34.82 H new ATOM 0 HA PHE A 15 27.914 -14.127 13.899 1.00 36.76 H new ATOM 0 HB2 PHE A 15 29.561 -16.125 14.122 1.00 39.88 H new ATOM 0 HB3 PHE A 15 30.576 -14.942 14.172 1.00 39.88 H new ATOM 0 HD1 PHE A 15 27.780 -16.250 15.912 1.00 44.89 H new ATOM 0 HD2 PHE A 15 30.846 -13.681 16.199 1.00 45.06 H new ATOM 0 HE1 PHE A 15 27.264 -15.898 18.142 1.00 44.62 H new ATOM 0 HE2 PHE A 15 30.336 -13.318 18.437 1.00 46.52 H new ATOM 0 HZ PHE A 15 28.539 -14.428 19.413 1.00 46.57 H new ATOM 108 N SER A 16 29.641 -12.773 11.811 1.00 36.22 N ATOM 109 CA SER A 16 30.281 -11.524 11.411 1.00 36.41 C ATOM 110 C SER A 16 29.276 -10.387 11.224 1.00 36.95 C ATOM 111 O SER A 16 29.662 -9.234 11.003 1.00 35.97 O ATOM 112 CB SER A 16 31.091 -11.723 10.125 1.00 37.35 C ATOM 113 OG SER A 16 30.266 -12.039 9.020 1.00 37.37 O ATOM 0 H SER A 16 29.435 -13.300 11.163 1.00 36.22 H new ATOM 0 HA SER A 16 30.877 -11.270 12.133 1.00 36.41 H new ATOM 0 HB2 SER A 16 31.593 -10.916 9.932 1.00 37.35 H new ATOM 0 HB3 SER A 16 31.738 -12.434 10.258 1.00 37.35 H new ATOM 0 HG SER A 16 29.546 -12.373 9.294 1.00 37.37 H new ATOM 114 N TYR A 17 27.988 -10.704 11.314 1.00 35.07 N ATOM 115 CA TYR A 17 26.957 -9.679 11.172 1.00 33.68 C ATOM 116 C TYR A 17 26.287 -9.383 12.501 1.00 33.87 C ATOM 117 O TYR A 17 26.195 -10.255 13.366 1.00 31.25 O ATOM 118 CB TYR A 17 25.889 -10.112 10.171 1.00 33.63 C ATOM 119 CG TYR A 17 26.412 -10.272 8.769 1.00 31.92 C ATOM 120 CD1 TYR A 17 26.909 -11.495 8.323 1.00 30.44 C ATOM 121 CD2 TYR A 17 26.419 -9.195 7.891 1.00 32.20 C ATOM 122 CE1 TYR A 17 27.399 -11.645 7.031 1.00 32.70 C ATOM 123 CE2 TYR A 17 26.910 -9.332 6.595 1.00 34.00 C ATOM 124 CZ TYR A 17 27.396 -10.556 6.173 1.00 31.58 C ATOM 125 OH TYR A 17 27.873 -10.685 4.893 1.00 35.27 O ATOM 0 H TYR A 17 27.691 -11.499 11.456 1.00 35.07 H new ATOM 0 HA TYR A 17 27.399 -8.877 10.850 1.00 33.68 H new ATOM 0 HB2 TYR A 17 25.504 -10.953 10.463 1.00 33.63 H new ATOM 0 HB3 TYR A 17 25.173 -9.458 10.169 1.00 33.63 H new ATOM 0 HD1 TYR A 17 26.913 -12.224 8.900 1.00 30.44 H new ATOM 0 HD2 TYR A 17 26.091 -8.371 8.173 1.00 32.20 H new ATOM 0 HE1 TYR A 17 27.726 -12.467 6.745 1.00 32.70 H new ATOM 0 HE2 TYR A 17 26.911 -8.604 6.016 1.00 34.00 H new ATOM 0 HH TYR A 17 28.393 -11.344 4.853 1.00 35.27 H new ATOM 126 N GLU A 18 25.824 -8.146 12.662 1.00 31.39 N ATOM 127 CA GLU A 18 25.144 -7.753 13.884 1.00 31.42 C ATOM 128 C GLU A 18 23.755 -8.384 13.890 1.00 29.32 C ATOM 129 O GLU A 18 23.246 -8.780 14.935 1.00 28.56 O ATOM 130 CB GLU A 18 25.012 -6.233 13.959 1.00 32.29 C ATOM 131 CG GLU A 18 24.342 -5.755 15.232 1.00 35.75 C ATOM 132 CD GLU A 18 24.193 -4.249 15.292 1.00 37.52 C ATOM 133 OE1 GLU A 18 23.671 -3.753 16.308 1.00 38.54 O ATOM 134 OE2 GLU A 18 24.592 -3.563 14.326 1.00 40.41 O ATOM 0 H GLU A 18 25.895 -7.522 12.074 1.00 31.39 H new ATOM 0 HA GLU A 18 25.658 -8.055 14.650 1.00 31.42 H new ATOM 0 HB2 GLU A 18 25.894 -5.834 13.895 1.00 32.29 H new ATOM 0 HB3 GLU A 18 24.503 -5.920 13.195 1.00 32.29 H new ATOM 0 HG2 GLU A 18 23.466 -6.165 15.304 1.00 35.75 H new ATOM 0 HG3 GLU A 18 24.859 -6.055 15.996 1.00 35.75 H new ATOM 135 N VAL A 19 23.148 -8.466 12.710 1.00 27.53 N ATOM 136 CA VAL A 19 21.818 -9.052 12.556 1.00 27.38 C ATOM 137 C VAL A 19 21.814 -9.984 11.348 1.00 27.97 C ATOM 138 O VAL A 19 22.468 -9.707 10.341 1.00 27.10 O ATOM 139 CB VAL A 19 20.735 -7.967 12.321 1.00 27.91 C ATOM 140 CG1 VAL A 19 19.352 -8.623 12.215 1.00 27.77 C ATOM 141 CG2 VAL A 19 20.764 -6.944 13.438 1.00 24.75 C ATOM 0 H VAL A 19 23.495 -8.184 11.975 1.00 27.53 H new ATOM 0 HA VAL A 19 21.614 -9.530 13.375 1.00 27.38 H new ATOM 0 HB VAL A 19 20.922 -7.508 11.487 1.00 27.91 H new ATOM 0 HG11 VAL A 19 18.680 -7.939 12.068 1.00 27.77 H new ATOM 0 HG12 VAL A 19 19.346 -9.247 11.472 1.00 27.77 H new ATOM 0 HG13 VAL A 19 19.155 -9.098 13.037 1.00 27.77 H new ATOM 0 HG21 VAL A 19 20.083 -6.272 13.279 1.00 24.75 H new ATOM 0 HG22 VAL A 19 20.592 -7.384 14.285 1.00 24.75 H new ATOM 0 HG23 VAL A 19 21.636 -6.520 13.466 1.00 24.75 H new ATOM 142 N VAL A 20 21.087 -11.092 11.446 1.00 24.36 N ATOM 143 CA VAL A 20 21.017 -12.017 10.334 1.00 23.56 C ATOM 144 C VAL A 20 19.623 -12.562 10.099 1.00 23.57 C ATOM 145 O VAL A 20 18.777 -12.579 11.000 1.00 24.27 O ATOM 146 CB VAL A 20 21.969 -13.236 10.527 1.00 23.11 C ATOM 147 CG1 VAL A 20 23.401 -12.762 10.702 1.00 20.51 C ATOM 148 CG2 VAL A 20 21.525 -14.063 11.729 1.00 21.62 C ATOM 0 H VAL A 20 20.634 -11.321 12.140 1.00 24.36 H new ATOM 0 HA VAL A 20 21.289 -11.492 9.565 1.00 23.56 H new ATOM 0 HB VAL A 20 21.927 -13.796 9.736 1.00 23.11 H new ATOM 0 HG11 VAL A 20 23.983 -13.528 10.821 1.00 20.51 H new ATOM 0 HG12 VAL A 20 23.676 -12.266 9.915 1.00 20.51 H new ATOM 0 HG13 VAL A 20 23.459 -12.188 11.482 1.00 20.51 H new ATOM 0 HG21 VAL A 20 22.123 -14.819 11.841 1.00 21.62 H new ATOM 0 HG22 VAL A 20 21.548 -13.512 12.527 1.00 21.62 H new ATOM 0 HG23 VAL A 20 20.621 -14.385 11.585 1.00 21.62 H new ATOM 149 N MET A 21 19.399 -12.998 8.868 1.00 20.98 N ATOM 150 CA MET A 21 18.148 -13.611 8.457 1.00 25.16 C ATOM 151 C MET A 21 18.562 -14.990 7.958 1.00 25.72 C ATOM 152 O MET A 21 19.278 -15.103 6.963 1.00 26.99 O ATOM 153 CB MET A 21 17.496 -12.824 7.317 1.00 24.57 C ATOM 154 CG MET A 21 16.904 -11.482 7.721 1.00 28.52 C ATOM 155 SD MET A 21 16.251 -10.601 6.271 1.00 33.01 S ATOM 156 CE MET A 21 14.945 -11.725 5.714 1.00 26.71 C ATOM 0 H MET A 21 19.981 -12.945 8.237 1.00 20.98 H new ATOM 0 HA MET A 21 17.501 -13.639 9.179 1.00 25.16 H new ATOM 0 HB2 MET A 21 18.158 -12.675 6.624 1.00 24.57 H new ATOM 0 HB3 MET A 21 16.794 -13.368 6.926 1.00 24.57 H new ATOM 0 HG2 MET A 21 16.195 -11.619 8.368 1.00 28.52 H new ATOM 0 HG3 MET A 21 17.583 -10.942 8.154 1.00 28.52 H new ATOM 0 HE1 MET A 21 14.328 -11.245 5.139 1.00 26.71 H new ATOM 0 HE2 MET A 21 15.340 -12.461 5.221 1.00 26.71 H new ATOM 0 HE3 MET A 21 14.466 -12.072 6.483 1.00 26.71 H new ATOM 157 N LEU A 22 18.130 -16.035 8.654 1.00 24.91 N ATOM 158 CA LEU A 22 18.496 -17.390 8.277 1.00 23.12 C ATOM 159 C LEU A 22 17.265 -18.082 7.737 1.00 23.28 C ATOM 160 O LEU A 22 16.222 -18.114 8.403 1.00 22.02 O ATOM 161 CB LEU A 22 19.044 -18.150 9.499 1.00 22.27 C ATOM 162 CG LEU A 22 20.134 -17.442 10.324 1.00 23.91 C ATOM 163 CD1 LEU A 22 20.587 -18.329 11.493 1.00 19.38 C ATOM 164 CD2 LEU A 22 21.323 -17.124 9.432 1.00 20.05 C ATOM 0 H LEU A 22 17.624 -15.979 9.347 1.00 24.91 H new ATOM 0 HA LEU A 22 19.189 -17.372 7.598 1.00 23.12 H new ATOM 0 HB2 LEU A 22 18.301 -18.350 10.089 1.00 22.27 H new ATOM 0 HB3 LEU A 22 19.400 -18.999 9.193 1.00 22.27 H new ATOM 0 HG LEU A 22 19.767 -16.619 10.683 1.00 23.91 H new ATOM 0 HD11 LEU A 22 21.273 -17.869 12.002 1.00 19.38 H new ATOM 0 HD12 LEU A 22 19.830 -18.518 12.069 1.00 19.38 H new ATOM 0 HD13 LEU A 22 20.945 -19.162 11.148 1.00 19.38 H new ATOM 0 HD21 LEU A 22 22.009 -16.678 9.953 1.00 20.05 H new ATOM 0 HD22 LEU A 22 21.681 -17.947 9.064 1.00 20.05 H new ATOM 0 HD23 LEU A 22 21.039 -16.544 8.708 1.00 20.05 H new ATOM 165 N VAL A 23 17.378 -18.622 6.527 1.00 23.32 N ATOM 166 CA VAL A 23 16.254 -19.307 5.901 1.00 24.91 C ATOM 167 C VAL A 23 16.593 -20.738 5.553 1.00 26.13 C ATOM 168 O VAL A 23 17.544 -21.004 4.805 1.00 25.72 O ATOM 169 CB VAL A 23 15.791 -18.586 4.613 1.00 24.21 C ATOM 170 CG1 VAL A 23 14.565 -19.292 4.043 1.00 24.41 C ATOM 171 CG2 VAL A 23 15.482 -17.126 4.909 1.00 21.53 C ATOM 0 H VAL A 23 18.096 -18.602 6.053 1.00 23.32 H new ATOM 0 HA VAL A 23 15.537 -19.296 6.554 1.00 24.91 H new ATOM 0 HB VAL A 23 16.503 -18.617 3.955 1.00 24.21 H new ATOM 0 HG11 VAL A 23 14.276 -18.838 3.236 1.00 24.41 H new ATOM 0 HG12 VAL A 23 14.789 -20.212 3.834 1.00 24.41 H new ATOM 0 HG13 VAL A 23 13.848 -19.275 4.697 1.00 24.41 H new ATOM 0 HG21 VAL A 23 15.193 -16.685 4.095 1.00 21.53 H new ATOM 0 HG22 VAL A 23 14.777 -17.072 5.573 1.00 21.53 H new ATOM 0 HG23 VAL A 23 16.279 -16.689 5.248 1.00 21.53 H new ATOM 172 N GLY A 24 15.812 -21.660 6.107 1.00 25.04 N ATOM 173 CA GLY A 24 16.026 -23.069 5.847 1.00 27.08 C ATOM 174 C GLY A 24 14.728 -23.713 5.401 1.00 27.90 C ATOM 175 O GLY A 24 13.730 -23.662 6.121 1.00 26.54 O ATOM 0 H GLY A 24 15.155 -21.486 6.635 1.00 25.04 H new ATOM 0 HA2 GLY A 24 16.704 -23.181 5.162 1.00 27.08 H new ATOM 0 HA3 GLY A 24 16.356 -23.507 6.647 1.00 27.08 H new ATOM 176 N ALA A 25 14.736 -24.309 4.214 1.00 29.62 N ATOM 177 CA ALA A 25 13.543 -24.959 3.675 1.00 31.10 C ATOM 178 C ALA A 25 13.757 -26.454 3.497 1.00 33.37 C ATOM 179 O ALA A 25 14.824 -26.891 3.048 1.00 33.67 O ATOM 180 CB ALA A 25 13.162 -24.326 2.353 1.00 31.96 C ATOM 0 H ALA A 25 15.425 -24.349 3.701 1.00 29.62 H new ATOM 0 HA ALA A 25 12.821 -24.836 4.311 1.00 31.10 H new ATOM 0 HB1 ALA A 25 12.370 -24.762 2.001 1.00 31.96 H new ATOM 0 HB2 ALA A 25 12.979 -23.383 2.486 1.00 31.96 H new ATOM 0 HB3 ALA A 25 13.893 -24.427 1.723 1.00 31.96 H new ATOM 181 N GLY A 26 12.748 -27.241 3.859 1.00 31.23 N ATOM 182 CA GLY A 26 12.858 -28.684 3.728 1.00 30.86 C ATOM 183 C GLY A 26 14.047 -29.246 4.485 1.00 32.48 C ATOM 184 O GLY A 26 14.256 -28.934 5.662 1.00 32.63 O ATOM 0 H GLY A 26 12.000 -26.961 4.179 1.00 31.23 H new ATOM 0 HA2 GLY A 26 12.044 -29.099 4.055 1.00 30.86 H new ATOM 0 HA3 GLY A 26 12.937 -28.916 2.789 1.00 30.86 H new ATOM 185 N ILE A 27 14.837 -30.086 3.827 1.00 31.14 N ATOM 186 CA ILE A 27 15.995 -30.659 4.502 1.00 32.14 C ATOM 187 C ILE A 27 17.056 -29.588 4.740 1.00 29.57 C ATOM 188 O ILE A 27 17.998 -29.798 5.495 1.00 31.54 O ATOM 189 CB ILE A 27 16.614 -31.826 3.690 1.00 33.59 C ATOM 190 CG1 ILE A 27 17.101 -31.329 2.330 1.00 33.67 C ATOM 191 CG2 ILE A 27 15.576 -32.934 3.506 1.00 33.04 C ATOM 192 CD1 ILE A 27 17.874 -32.391 1.537 1.00 35.91 C ATOM 0 H ILE A 27 14.726 -30.333 3.011 1.00 31.14 H new ATOM 0 HA ILE A 27 15.688 -31.009 5.353 1.00 32.14 H new ATOM 0 HB ILE A 27 17.374 -32.180 4.178 1.00 33.59 H new ATOM 0 HG12 ILE A 27 16.338 -31.036 1.808 1.00 33.67 H new ATOM 0 HG13 ILE A 27 17.670 -30.554 2.461 1.00 33.67 H new ATOM 0 HG21 ILE A 27 15.966 -33.662 2.998 1.00 33.04 H new ATOM 0 HG22 ILE A 27 15.294 -33.261 4.375 1.00 33.04 H new ATOM 0 HG23 ILE A 27 14.808 -32.582 3.029 1.00 33.04 H new ATOM 0 HD11 ILE A 27 18.156 -32.019 0.687 1.00 35.91 H new ATOM 0 HD12 ILE A 27 18.654 -32.669 2.043 1.00 35.91 H new ATOM 0 HD13 ILE A 27 17.301 -33.158 1.379 1.00 35.91 H new ATOM 193 N GLY A 28 16.883 -28.437 4.098 1.00 30.22 N ATOM 194 CA GLY A 28 17.827 -27.338 4.246 1.00 31.95 C ATOM 195 C GLY A 28 17.849 -26.744 5.645 1.00 32.58 C ATOM 196 O GLY A 28 18.674 -25.882 5.960 1.00 31.36 O ATOM 0 H GLY A 28 16.223 -28.273 3.571 1.00 30.22 H new ATOM 0 HA2 GLY A 28 18.717 -27.653 4.022 1.00 31.95 H new ATOM 0 HA3 GLY A 28 17.604 -26.641 3.610 1.00 31.95 H new ATOM 197 N VAL A 29 16.937 -27.207 6.493 1.00 33.34 N ATOM 198 CA VAL A 29 16.854 -26.725 7.860 1.00 32.12 C ATOM 199 C VAL A 29 17.950 -27.394 8.687 1.00 32.68 C ATOM 200 O VAL A 29 18.435 -26.849 9.685 1.00 29.90 O ATOM 201 CB VAL A 29 15.454 -27.055 8.456 1.00 33.61 C ATOM 202 CG1 VAL A 29 15.391 -28.502 8.932 1.00 34.07 C ATOM 203 CG2 VAL A 29 15.135 -26.112 9.564 1.00 35.81 C ATOM 0 H VAL A 29 16.354 -27.806 6.291 1.00 33.34 H new ATOM 0 HA VAL A 29 16.976 -25.763 7.877 1.00 32.12 H new ATOM 0 HB VAL A 29 14.788 -26.947 7.759 1.00 33.61 H new ATOM 0 HG11 VAL A 29 14.512 -28.684 9.299 1.00 34.07 H new ATOM 0 HG12 VAL A 29 15.559 -29.096 8.184 1.00 34.07 H new ATOM 0 HG13 VAL A 29 16.063 -28.647 9.617 1.00 34.07 H new ATOM 0 HG21 VAL A 29 14.262 -26.325 9.929 1.00 35.81 H new ATOM 0 HG22 VAL A 29 15.805 -26.193 10.261 1.00 35.81 H new ATOM 0 HG23 VAL A 29 15.130 -25.203 9.225 1.00 35.81 H new ATOM 204 N THR A 30 18.352 -28.576 8.237 1.00 29.62 N ATOM 205 CA THR A 30 19.360 -29.377 8.916 1.00 30.29 C ATOM 206 C THR A 30 20.676 -28.674 9.249 1.00 28.30 C ATOM 207 O THR A 30 21.142 -28.738 10.376 1.00 29.52 O ATOM 208 CB THR A 30 19.655 -30.653 8.096 1.00 31.32 C ATOM 209 OG1 THR A 30 18.429 -31.356 7.884 1.00 35.51 O ATOM 210 CG2 THR A 30 20.616 -31.559 8.829 1.00 33.13 C ATOM 0 H THR A 30 18.044 -28.939 7.521 1.00 29.62 H new ATOM 0 HA THR A 30 18.963 -29.581 9.777 1.00 30.29 H new ATOM 0 HB THR A 30 20.056 -30.394 7.252 1.00 31.32 H new ATOM 0 HG1 THR A 30 18.053 -31.061 7.193 1.00 35.51 H new ATOM 0 HG21 THR A 30 20.785 -32.351 8.295 1.00 33.13 H new ATOM 0 HG22 THR A 30 21.451 -31.089 8.983 1.00 33.13 H new ATOM 0 HG23 THR A 30 20.230 -31.819 9.680 1.00 33.13 H new ATOM 211 N PRO A 31 21.295 -27.992 8.275 1.00 28.86 N ATOM 212 CA PRO A 31 22.557 -27.317 8.594 1.00 28.10 C ATOM 213 C PRO A 31 22.356 -26.250 9.662 1.00 26.89 C ATOM 214 O PRO A 31 23.212 -26.036 10.516 1.00 25.52 O ATOM 215 CB PRO A 31 22.976 -26.706 7.255 1.00 28.68 C ATOM 216 CG PRO A 31 22.324 -27.607 6.243 1.00 31.92 C ATOM 217 CD PRO A 31 20.974 -27.865 6.843 1.00 29.62 C ATOM 0 HA PRO A 31 23.228 -27.914 8.959 1.00 28.10 H new ATOM 0 HB2 PRO A 31 22.670 -25.790 7.168 1.00 28.68 H new ATOM 0 HB3 PRO A 31 23.941 -26.693 7.154 1.00 28.68 H new ATOM 0 HG2 PRO A 31 22.256 -27.181 5.374 1.00 31.92 H new ATOM 0 HG3 PRO A 31 22.825 -28.428 6.118 1.00 31.92 H new ATOM 0 HD2 PRO A 31 20.356 -27.137 6.673 1.00 29.62 H new ATOM 0 HD3 PRO A 31 20.567 -28.671 6.489 1.00 29.62 H new ATOM 218 N PHE A 32 21.203 -25.592 9.630 1.00 25.60 N ATOM 219 CA PHE A 32 20.957 -24.541 10.595 1.00 25.20 C ATOM 220 C PHE A 32 20.867 -25.031 12.015 1.00 23.94 C ATOM 221 O PHE A 32 21.082 -24.265 12.952 1.00 25.58 O ATOM 222 CB PHE A 32 19.723 -23.738 10.200 1.00 25.75 C ATOM 223 CG PHE A 32 19.946 -22.890 8.989 1.00 28.04 C ATOM 224 CD1 PHE A 32 19.389 -23.244 7.762 1.00 26.99 C ATOM 225 CD2 PHE A 32 20.762 -21.763 9.063 1.00 27.79 C ATOM 226 CE1 PHE A 32 19.642 -22.487 6.627 1.00 27.84 C ATOM 227 CE2 PHE A 32 21.025 -20.997 7.936 1.00 29.32 C ATOM 228 CZ PHE A 32 20.463 -21.358 6.713 1.00 31.00 C ATOM 0 H PHE A 32 20.566 -25.737 9.070 1.00 25.60 H new ATOM 0 HA PHE A 32 21.733 -23.959 10.575 1.00 25.20 H new ATOM 0 HB2 PHE A 32 18.986 -24.347 10.032 1.00 25.75 H new ATOM 0 HB3 PHE A 32 19.460 -23.172 10.942 1.00 25.75 H new ATOM 0 HD1 PHE A 32 18.843 -23.994 7.703 1.00 26.99 H new ATOM 0 HD2 PHE A 32 21.136 -21.521 9.879 1.00 27.79 H new ATOM 0 HE1 PHE A 32 19.267 -22.730 5.811 1.00 27.84 H new ATOM 0 HE2 PHE A 32 21.573 -20.248 7.997 1.00 29.32 H new ATOM 0 HZ PHE A 32 20.634 -20.848 5.954 1.00 31.00 H new ATOM 229 N ALA A 33 20.575 -26.315 12.183 1.00 25.20 N ATOM 230 CA ALA A 33 20.499 -26.893 13.511 1.00 24.46 C ATOM 231 C ALA A 33 21.873 -26.756 14.189 1.00 25.86 C ATOM 232 O ALA A 33 21.980 -26.299 15.328 1.00 22.34 O ATOM 233 CB ALA A 33 20.095 -28.373 13.416 1.00 27.62 C ATOM 0 H ALA A 33 20.418 -26.865 11.541 1.00 25.20 H new ATOM 0 HA ALA A 33 19.830 -26.427 14.037 1.00 24.46 H new ATOM 0 HB1 ALA A 33 20.046 -28.753 14.307 1.00 27.62 H new ATOM 0 HB2 ALA A 33 19.228 -28.445 12.986 1.00 27.62 H new ATOM 0 HB3 ALA A 33 20.755 -28.856 12.895 1.00 27.62 H new ATOM 234 N SER A 34 22.926 -27.162 13.485 1.00 25.84 N ATOM 235 CA SER A 34 24.271 -27.068 14.039 1.00 26.84 C ATOM 236 C SER A 34 24.719 -25.609 14.175 1.00 24.51 C ATOM 237 O SER A 34 25.389 -25.228 15.141 1.00 23.65 O ATOM 238 CB SER A 34 25.254 -27.838 13.155 1.00 29.14 C ATOM 239 OG SER A 34 26.573 -27.695 13.650 1.00 34.60 O ATOM 0 H SER A 34 22.883 -27.492 12.692 1.00 25.84 H new ATOM 0 HA SER A 34 24.259 -27.460 14.926 1.00 26.84 H new ATOM 0 HB2 SER A 34 25.011 -28.777 13.131 1.00 29.14 H new ATOM 0 HB3 SER A 34 25.206 -27.509 12.244 1.00 29.14 H new ATOM 0 HG SER A 34 26.922 -27.004 13.323 1.00 34.60 H new ATOM 240 N ILE A 35 24.333 -24.789 13.210 1.00 23.11 N ATOM 241 CA ILE A 35 24.690 -23.377 13.232 1.00 25.53 C ATOM 242 C ILE A 35 24.054 -22.637 14.425 1.00 24.71 C ATOM 243 O ILE A 35 24.725 -21.876 15.129 1.00 23.76 O ATOM 244 CB ILE A 35 24.287 -22.719 11.894 1.00 24.53 C ATOM 245 CG1 ILE A 35 25.152 -23.300 10.772 1.00 28.39 C ATOM 246 CG2 ILE A 35 24.437 -21.206 11.974 1.00 27.03 C ATOM 247 CD1 ILE A 35 24.834 -22.743 9.393 1.00 28.29 C ATOM 0 H ILE A 35 23.863 -25.029 12.531 1.00 23.11 H new ATOM 0 HA ILE A 35 25.651 -23.311 13.344 1.00 25.53 H new ATOM 0 HB ILE A 35 23.354 -22.909 11.706 1.00 24.53 H new ATOM 0 HG12 ILE A 35 26.085 -23.127 10.973 1.00 28.39 H new ATOM 0 HG13 ILE A 35 25.039 -24.263 10.755 1.00 28.39 H new ATOM 0 HG21 ILE A 35 24.180 -20.810 11.127 1.00 27.03 H new ATOM 0 HG22 ILE A 35 23.866 -20.861 12.678 1.00 27.03 H new ATOM 0 HG23 ILE A 35 25.361 -20.982 12.168 1.00 27.03 H new ATOM 0 HD11 ILE A 35 25.417 -23.154 8.736 1.00 28.29 H new ATOM 0 HD12 ILE A 35 23.910 -22.937 9.171 1.00 28.29 H new ATOM 0 HD13 ILE A 35 24.972 -21.783 9.392 1.00 28.29 H new ATOM 248 N LEU A 36 22.767 -22.875 14.664 1.00 24.07 N ATOM 249 CA LEU A 36 22.077 -22.217 15.771 1.00 23.25 C ATOM 250 C LEU A 36 22.694 -22.634 17.105 1.00 24.16 C ATOM 251 O LEU A 36 22.863 -21.811 18.013 1.00 23.49 O ATOM 252 CB LEU A 36 20.577 -22.554 15.733 1.00 21.23 C ATOM 253 CG LEU A 36 19.827 -21.854 14.600 1.00 21.21 C ATOM 254 CD1 LEU A 36 18.416 -22.428 14.448 1.00 23.48 C ATOM 255 CD2 LEU A 36 19.773 -20.356 14.899 1.00 19.07 C ATOM 0 H LEU A 36 22.278 -23.410 14.201 1.00 24.07 H new ATOM 0 HA LEU A 36 22.178 -21.257 15.679 1.00 23.25 H new ATOM 0 HB2 LEU A 36 20.470 -23.513 15.639 1.00 21.23 H new ATOM 0 HB3 LEU A 36 20.175 -22.306 16.580 1.00 21.23 H new ATOM 0 HG LEU A 36 20.293 -22.001 13.762 1.00 21.21 H new ATOM 0 HD11 LEU A 36 17.957 -21.972 13.725 1.00 23.48 H new ATOM 0 HD12 LEU A 36 18.472 -23.375 14.248 1.00 23.48 H new ATOM 0 HD13 LEU A 36 17.924 -22.301 15.274 1.00 23.48 H new ATOM 0 HD21 LEU A 36 19.299 -19.900 14.186 1.00 19.07 H new ATOM 0 HD22 LEU A 36 19.311 -20.210 15.739 1.00 19.07 H new ATOM 0 HD23 LEU A 36 20.675 -20.006 14.962 1.00 19.07 H new ATOM 256 N LYS A 37 23.037 -23.914 17.220 1.00 24.98 N ATOM 257 CA LYS A 37 23.655 -24.426 18.438 1.00 24.15 C ATOM 258 C LYS A 37 25.008 -23.736 18.665 1.00 25.79 C ATOM 259 O LYS A 37 25.306 -23.274 19.772 1.00 22.99 O ATOM 260 CB LYS A 37 23.850 -25.944 18.328 1.00 25.76 C ATOM 0 H LYS A 37 22.920 -24.502 16.604 1.00 24.98 H new ATOM 0 HA LYS A 37 23.074 -24.238 19.192 1.00 24.15 H new ATOM 261 N SER A 38 25.825 -23.680 17.615 1.00 25.98 N ATOM 262 CA SER A 38 27.138 -23.057 17.712 1.00 28.47 C ATOM 263 C SER A 38 27.032 -21.568 18.041 1.00 29.34 C ATOM 264 O SER A 38 27.822 -21.051 18.835 1.00 27.19 O ATOM 265 CB SER A 38 27.932 -23.263 16.411 1.00 29.28 C ATOM 266 OG SER A 38 27.325 -22.596 15.320 1.00 37.13 O ATOM 0 H SER A 38 25.636 -23.998 16.838 1.00 25.98 H new ATOM 0 HA SER A 38 27.613 -23.488 18.440 1.00 28.47 H new ATOM 0 HB2 SER A 38 28.838 -22.936 16.528 1.00 29.28 H new ATOM 0 HB3 SER A 38 27.996 -24.211 16.217 1.00 29.28 H new ATOM 0 HG SER A 38 26.504 -22.502 15.471 1.00 37.13 H new ATOM 267 N VAL A 39 26.057 -20.878 17.453 1.00 28.70 N ATOM 268 CA VAL A 39 25.892 -19.455 17.737 1.00 31.70 C ATOM 269 C VAL A 39 25.484 -19.241 19.193 1.00 31.39 C ATOM 270 O VAL A 39 25.951 -18.304 19.852 1.00 30.93 O ATOM 271 CB VAL A 39 24.839 -18.804 16.817 1.00 34.32 C ATOM 272 CG1 VAL A 39 24.438 -17.442 17.371 1.00 36.74 C ATOM 273 CG2 VAL A 39 25.414 -18.641 15.419 1.00 35.63 C ATOM 0 H VAL A 39 25.490 -21.208 16.897 1.00 28.70 H new ATOM 0 HA VAL A 39 26.749 -19.033 17.571 1.00 31.70 H new ATOM 0 HB VAL A 39 24.055 -19.373 16.777 1.00 34.32 H new ATOM 0 HG11 VAL A 39 23.776 -17.038 16.789 1.00 36.74 H new ATOM 0 HG12 VAL A 39 24.063 -17.551 18.259 1.00 36.74 H new ATOM 0 HG13 VAL A 39 25.219 -16.869 17.419 1.00 36.74 H new ATOM 0 HG21 VAL A 39 24.751 -18.232 14.842 1.00 35.63 H new ATOM 0 HG22 VAL A 39 26.202 -18.076 15.457 1.00 35.63 H new ATOM 0 HG23 VAL A 39 25.657 -19.511 15.065 1.00 35.63 H new ATOM 274 N TRP A 40 24.615 -20.104 19.701 1.00 31.29 N ATOM 275 CA TRP A 40 24.194 -19.985 21.085 1.00 30.94 C ATOM 276 C TRP A 40 25.400 -20.269 21.989 1.00 31.88 C ATOM 277 O TRP A 40 25.577 -19.613 23.022 1.00 31.75 O ATOM 278 CB TRP A 40 23.052 -20.966 21.381 1.00 31.94 C ATOM 279 CG TRP A 40 22.544 -20.914 22.787 1.00 30.33 C ATOM 280 CD1 TRP A 40 22.319 -21.979 23.614 1.00 30.56 C ATOM 281 CD2 TRP A 40 22.224 -19.740 23.550 1.00 31.50 C ATOM 282 NE1 TRP A 40 21.888 -21.542 24.846 1.00 33.39 N ATOM 283 CE2 TRP A 40 21.820 -20.173 24.835 1.00 31.68 C ATOM 284 CE3 TRP A 40 22.243 -18.365 23.275 1.00 30.48 C ATOM 285 CZ2 TRP A 40 21.438 -19.278 25.847 1.00 33.38 C ATOM 286 CZ3 TRP A 40 21.864 -17.473 24.284 1.00 32.61 C ATOM 287 CH2 TRP A 40 21.468 -17.937 25.554 1.00 31.30 C ATOM 0 H TRP A 40 24.262 -20.757 19.267 1.00 31.29 H new ATOM 0 HA TRP A 40 23.865 -19.088 21.254 1.00 30.94 H new ATOM 0 HB2 TRP A 40 22.317 -20.782 20.776 1.00 31.94 H new ATOM 0 HB3 TRP A 40 23.357 -21.867 21.192 1.00 31.94 H new ATOM 0 HD1 TRP A 40 22.440 -22.870 23.378 1.00 30.56 H new ATOM 0 HE1 TRP A 40 21.693 -22.046 25.515 1.00 33.39 H new ATOM 0 HE3 TRP A 40 22.502 -18.052 22.438 1.00 30.48 H new ATOM 0 HZ2 TRP A 40 21.174 -19.582 26.685 1.00 33.38 H new ATOM 0 HZ3 TRP A 40 21.874 -16.559 24.114 1.00 32.61 H new ATOM 0 HH2 TRP A 40 21.222 -17.322 26.207 1.00 31.30 H new ATOM 288 N TYR A 41 26.236 -21.235 21.603 1.00 30.57 N ATOM 289 CA TYR A 41 27.413 -21.568 22.411 1.00 31.02 C ATOM 290 C TYR A 41 28.355 -20.373 22.464 1.00 31.76 C ATOM 291 O TYR A 41 28.804 -19.973 23.538 1.00 31.42 O ATOM 292 CB TYR A 41 28.185 -22.772 21.838 1.00 30.47 C ATOM 293 CG TYR A 41 29.458 -23.084 22.619 1.00 29.15 C ATOM 294 CD1 TYR A 41 29.436 -23.949 23.719 1.00 30.53 C ATOM 295 CD2 TYR A 41 30.664 -22.447 22.308 1.00 29.80 C ATOM 296 CE1 TYR A 41 30.591 -24.171 24.497 1.00 29.96 C ATOM 297 CE2 TYR A 41 31.821 -22.653 23.077 1.00 30.22 C ATOM 298 CZ TYR A 41 31.777 -23.513 24.169 1.00 32.49 C ATOM 299 OH TYR A 41 32.908 -23.699 24.937 1.00 30.10 O ATOM 0 H TYR A 41 26.143 -21.703 20.888 1.00 30.57 H new ATOM 0 HA TYR A 41 27.096 -21.798 23.298 1.00 31.02 H new ATOM 0 HB2 TYR A 41 27.609 -23.552 21.842 1.00 30.47 H new ATOM 0 HB3 TYR A 41 28.414 -22.593 20.912 1.00 30.47 H new ATOM 0 HD1 TYR A 41 28.645 -24.385 23.941 1.00 30.53 H new ATOM 0 HD2 TYR A 41 30.700 -21.875 21.576 1.00 29.80 H new ATOM 0 HE1 TYR A 41 30.562 -24.751 25.223 1.00 29.96 H new ATOM 0 HE2 TYR A 41 32.612 -22.217 22.857 1.00 30.22 H new ATOM 0 HH TYR A 41 33.539 -23.244 24.621 1.00 30.10 H new ATOM 300 N LYS A 42 28.648 -19.812 21.297 1.00 32.65 N ATOM 301 CA LYS A 42 29.543 -18.669 21.204 1.00 36.65 C ATOM 302 C LYS A 42 29.024 -17.499 22.027 1.00 38.84 C ATOM 303 O LYS A 42 29.774 -16.863 22.765 1.00 38.76 O ATOM 304 CB LYS A 42 29.708 -18.242 19.742 1.00 36.66 C ATOM 305 CG LYS A 42 30.411 -19.276 18.858 1.00 37.29 C ATOM 306 CD LYS A 42 30.629 -18.716 17.457 1.00 39.51 C ATOM 307 CE LYS A 42 31.281 -19.728 16.534 1.00 40.15 C ATOM 308 NZ LYS A 42 31.488 -19.185 15.149 1.00 40.93 N ATOM 0 H LYS A 42 28.336 -20.081 20.542 1.00 32.65 H new ATOM 0 HA LYS A 42 30.405 -18.935 21.559 1.00 36.65 H new ATOM 0 HB2 LYS A 42 28.832 -18.056 19.370 1.00 36.66 H new ATOM 0 HB3 LYS A 42 30.210 -17.413 19.713 1.00 36.66 H new ATOM 0 HG2 LYS A 42 31.263 -19.521 19.251 1.00 37.29 H new ATOM 0 HG3 LYS A 42 29.878 -20.085 18.810 1.00 37.29 H new ATOM 0 HD2 LYS A 42 29.777 -18.441 17.084 1.00 39.51 H new ATOM 0 HD3 LYS A 42 31.185 -17.923 17.510 1.00 39.51 H new ATOM 0 HE2 LYS A 42 32.136 -19.997 16.905 1.00 40.15 H new ATOM 0 HE3 LYS A 42 30.728 -20.524 16.488 1.00 40.15 H new ATOM 0 HZ1 LYS A 42 31.961 -19.767 14.669 1.00 40.93 H new ATOM 0 HZ2 LYS A 42 30.698 -19.053 14.760 1.00 40.93 H new ATOM 0 HZ3 LYS A 42 31.928 -18.413 15.195 1.00 40.93 H new ATOM 309 N TYR A 43 27.729 -17.227 21.899 1.00 40.13 N ATOM 310 CA TYR A 43 27.095 -16.135 22.621 1.00 41.25 C ATOM 311 C TYR A 43 27.317 -16.244 24.128 1.00 40.75 C ATOM 312 O TYR A 43 27.523 -15.239 24.806 1.00 40.96 O ATOM 313 CB TYR A 43 25.601 -16.139 22.329 1.00 44.45 C ATOM 314 CG TYR A 43 24.915 -14.822 22.574 1.00 46.98 C ATOM 315 CD1 TYR A 43 25.021 -13.776 21.652 1.00 47.47 C ATOM 316 CD2 TYR A 43 24.122 -14.631 23.705 1.00 47.34 C ATOM 317 CE1 TYR A 43 24.344 -12.577 21.847 1.00 48.67 C ATOM 318 CE2 TYR A 43 23.448 -13.440 23.911 1.00 49.20 C ATOM 319 CZ TYR A 43 23.558 -12.421 22.979 1.00 50.19 C ATOM 320 OH TYR A 43 22.855 -11.257 23.169 1.00 53.03 O ATOM 0 H TYR A 43 27.196 -17.671 21.391 1.00 40.13 H new ATOM 0 HA TYR A 43 27.498 -15.305 22.321 1.00 41.25 H new ATOM 0 HB2 TYR A 43 25.464 -16.395 21.403 1.00 44.45 H new ATOM 0 HB3 TYR A 43 25.178 -16.818 22.877 1.00 44.45 H new ATOM 0 HD1 TYR A 43 25.553 -13.884 20.897 1.00 47.47 H new ATOM 0 HD2 TYR A 43 24.045 -15.315 24.331 1.00 47.34 H new ATOM 0 HE1 TYR A 43 24.417 -11.888 21.226 1.00 48.67 H new ATOM 0 HE2 TYR A 43 22.924 -13.324 24.671 1.00 49.20 H new ATOM 0 HH TYR A 43 22.169 -11.415 23.627 1.00 53.03 H new ATOM 321 N CYS A 44 27.267 -17.470 24.644 1.00 40.20 N ATOM 322 CA CYS A 44 27.447 -17.730 26.068 1.00 42.07 C ATOM 323 C CYS A 44 28.902 -17.842 26.530 1.00 43.26 C ATOM 324 O CYS A 44 29.181 -17.655 27.715 1.00 42.85 O ATOM 325 CB CYS A 44 26.743 -19.029 26.472 1.00 41.38 C ATOM 326 SG CYS A 44 24.949 -19.050 26.331 1.00 45.31 S ATOM 0 H CYS A 44 27.127 -18.177 24.175 1.00 40.20 H new ATOM 0 HA CYS A 44 27.062 -16.951 26.499 1.00 42.07 H new ATOM 0 HB2 CYS A 44 27.098 -19.749 25.927 1.00 41.38 H new ATOM 0 HB3 CYS A 44 26.977 -19.227 27.392 1.00 41.38 H new ATOM 0 HG CYS A 44 24.639 -19.295 25.198 1.00 45.31 H new ATOM 327 N ASN A 45 29.821 -18.161 25.619 1.00 43.86 N ATOM 328 CA ASN A 45 31.222 -18.334 26.014 1.00 45.42 C ATOM 329 C ASN A 45 32.291 -17.537 25.258 1.00 45.45 C ATOM 330 O ASN A 45 33.423 -17.441 25.729 1.00 46.21 O ATOM 331 CB ASN A 45 31.608 -19.819 25.937 1.00 44.09 C ATOM 332 CG ASN A 45 30.618 -20.728 26.638 1.00 45.59 C ATOM 333 OD1 ASN A 45 29.567 -21.068 26.084 1.00 50.06 O ATOM 334 ND2 ASN A 45 30.945 -21.133 27.860 1.00 43.21 N ATOM 0 H ASN A 45 29.660 -18.280 24.783 1.00 43.86 H new ATOM 0 HA ASN A 45 31.230 -17.970 26.913 1.00 45.42 H new ATOM 0 HB2 ASN A 45 31.677 -20.082 25.006 1.00 44.09 H new ATOM 0 HB3 ASN A 45 32.486 -19.940 26.332 1.00 44.09 H new ATOM 0 HD21 ASN A 45 30.416 -21.652 28.297 1.00 43.21 H new ATOM 0 HD22 ASN A 45 31.685 -20.876 28.214 1.00 43.21 H new ATOM 335 N ASN A 46 31.953 -16.983 24.099 1.00 45.34 N ATOM 336 CA ASN A 46 32.931 -16.241 23.297 1.00 46.02 C ATOM 337 C ASN A 46 33.068 -14.753 23.602 1.00 47.99 C ATOM 338 O ASN A 46 32.536 -13.910 22.875 1.00 47.39 O ATOM 339 CB ASN A 46 32.624 -16.420 21.808 1.00 44.16 C ATOM 340 CG ASN A 46 33.166 -17.723 21.255 1.00 42.34 C ATOM 341 OD1 ASN A 46 33.384 -18.687 21.997 1.00 39.39 O ATOM 342 ND2 ASN A 46 33.374 -17.764 19.944 1.00 40.38 N ATOM 0 H ASN A 46 31.165 -17.023 23.756 1.00 45.34 H new ATOM 0 HA ASN A 46 33.785 -16.628 23.545 1.00 46.02 H new ATOM 0 HB2 ASN A 46 31.664 -16.390 21.673 1.00 44.16 H new ATOM 0 HB3 ASN A 46 33.004 -15.679 21.311 1.00 44.16 H new ATOM 0 HD21 ASN A 46 33.673 -18.483 19.578 1.00 40.38 H new ATOM 0 HD22 ASN A 46 33.210 -17.072 19.461 1.00 40.38 H new ATOM 343 N ALA A 47 33.806 -14.436 24.664 1.00 48.68 N ATOM 344 CA ALA A 47 34.024 -13.049 25.064 1.00 49.37 C ATOM 345 C ALA A 47 34.675 -12.200 23.970 1.00 50.33 C ATOM 346 O ALA A 47 34.284 -11.056 23.748 1.00 49.10 O ATOM 347 CB ALA A 47 34.880 -13.011 26.315 1.00 50.06 C ATOM 0 H ALA A 47 34.192 -15.015 25.169 1.00 48.68 H new ATOM 0 HA ALA A 47 33.150 -12.664 25.234 1.00 49.37 H new ATOM 0 HB1 ALA A 47 35.025 -12.089 26.580 1.00 50.06 H new ATOM 0 HB2 ALA A 47 34.429 -13.486 27.030 1.00 50.06 H new ATOM 0 HB3 ALA A 47 35.735 -13.433 26.135 1.00 50.06 H new ATOM 348 N THR A 48 35.660 -12.772 23.280 1.00 52.42 N ATOM 349 CA THR A 48 36.399 -12.062 22.231 1.00 53.61 C ATOM 350 C THR A 48 35.599 -11.562 21.026 1.00 54.35 C ATOM 351 O THR A 48 36.074 -10.697 20.284 1.00 54.22 O ATOM 352 CB THR A 48 37.575 -12.928 21.699 1.00 54.59 C ATOM 353 OG1 THR A 48 38.164 -12.292 20.557 1.00 56.56 O ATOM 354 CG2 THR A 48 37.085 -14.308 21.301 1.00 54.08 C ATOM 0 H THR A 48 35.920 -13.582 23.405 1.00 52.42 H new ATOM 0 HA THR A 48 36.700 -11.264 22.693 1.00 53.61 H new ATOM 0 HB THR A 48 38.234 -13.018 22.405 1.00 54.59 H new ATOM 0 HG1 THR A 48 37.810 -11.539 20.441 1.00 56.56 H new ATOM 0 HG21 THR A 48 37.831 -14.834 20.972 1.00 54.08 H new ATOM 0 HG22 THR A 48 36.695 -14.748 22.072 1.00 54.08 H new ATOM 0 HG23 THR A 48 36.416 -14.225 20.604 1.00 54.08 H new ATOM 355 N ASN A 49 34.400 -12.098 20.825 1.00 54.24 N ATOM 356 CA ASN A 49 33.570 -11.696 19.690 1.00 55.48 C ATOM 357 C ASN A 49 32.121 -11.544 20.151 1.00 54.31 C ATOM 358 O ASN A 49 31.490 -12.520 20.563 1.00 55.45 O ATOM 359 CB ASN A 49 33.660 -12.754 18.583 1.00 57.58 C ATOM 360 CG ASN A 49 33.196 -12.232 17.234 1.00 60.18 C ATOM 361 OD1 ASN A 49 32.124 -11.632 17.120 1.00 60.56 O ATOM 362 ND2 ASN A 49 34.001 -12.466 16.201 1.00 60.42 N ATOM 0 H ASN A 49 34.047 -12.696 21.333 1.00 54.24 H new ATOM 0 HA ASN A 49 33.886 -10.848 19.341 1.00 55.48 H new ATOM 0 HB2 ASN A 49 34.577 -13.062 18.509 1.00 57.58 H new ATOM 0 HB3 ASN A 49 33.122 -13.522 18.831 1.00 57.58 H new ATOM 0 HD21 ASN A 49 33.781 -12.195 15.415 1.00 60.42 H new ATOM 0 HD22 ASN A 49 34.741 -12.888 16.319 1.00 60.42 H new ATOM 363 N LEU A 50 31.595 -10.325 20.082 1.00 51.65 N ATOM 364 CA LEU A 50 30.224 -10.071 20.521 1.00 49.89 C ATOM 365 C LEU A 50 29.374 -9.421 19.421 1.00 47.82 C ATOM 366 O LEU A 50 28.374 -8.765 19.713 1.00 47.74 O ATOM 367 CB LEU A 50 30.250 -9.153 21.746 1.00 51.18 C ATOM 368 CG LEU A 50 31.349 -9.392 22.791 1.00 52.28 C ATOM 369 CD1 LEU A 50 31.262 -8.324 23.875 1.00 53.33 C ATOM 370 CD2 LEU A 50 31.210 -10.777 23.392 1.00 51.32 C ATOM 0 H LEU A 50 32.012 -9.634 19.786 1.00 51.65 H new ATOM 0 HA LEU A 50 29.821 -10.926 20.739 1.00 49.89 H new ATOM 0 HB2 LEU A 50 30.330 -8.239 21.432 1.00 51.18 H new ATOM 0 HB3 LEU A 50 29.392 -9.226 22.193 1.00 51.18 H new ATOM 0 HG LEU A 50 32.217 -9.335 22.362 1.00 52.28 H new ATOM 0 HD11 LEU A 50 31.956 -8.475 24.535 1.00 53.33 H new ATOM 0 HD12 LEU A 50 31.381 -7.448 23.476 1.00 53.33 H new ATOM 0 HD13 LEU A 50 30.393 -8.368 24.304 1.00 53.33 H new ATOM 0 HD21 LEU A 50 31.909 -10.916 24.050 1.00 51.32 H new ATOM 0 HD22 LEU A 50 30.343 -10.859 23.820 1.00 51.32 H new ATOM 0 HD23 LEU A 50 31.289 -11.443 22.691 1.00 51.32 H new ATOM 371 N LYS A 51 29.761 -9.624 18.163 1.00 44.83 N ATOM 372 CA LYS A 51 29.072 -9.021 17.018 1.00 40.95 C ATOM 373 C LYS A 51 27.596 -9.364 16.807 1.00 38.78 C ATOM 374 O LYS A 51 26.759 -8.462 16.733 1.00 35.56 O ATOM 375 CB LYS A 51 29.851 -9.316 15.734 1.00 39.67 C ATOM 0 H LYS A 51 30.432 -10.116 17.947 1.00 44.83 H new ATOM 0 HA LYS A 51 29.056 -8.077 17.241 1.00 40.95 H new ATOM 376 N LEU A 52 27.275 -10.651 16.695 1.00 36.16 N ATOM 377 CA LEU A 52 25.890 -11.057 16.462 1.00 35.64 C ATOM 378 C LEU A 52 24.994 -10.721 17.651 1.00 34.32 C ATOM 379 O LEU A 52 25.238 -11.173 18.771 1.00 34.17 O ATOM 380 CB LEU A 52 25.813 -12.559 16.175 1.00 35.06 C ATOM 381 CG LEU A 52 24.848 -13.028 15.085 1.00 36.47 C ATOM 382 CD1 LEU A 52 24.505 -14.482 15.348 1.00 33.10 C ATOM 383 CD2 LEU A 52 23.582 -12.185 15.055 1.00 36.10 C ATOM 0 H LEU A 52 27.837 -11.299 16.750 1.00 36.16 H new ATOM 0 HA LEU A 52 25.572 -10.561 15.691 1.00 35.64 H new ATOM 0 HB2 LEU A 52 26.703 -12.863 15.936 1.00 35.06 H new ATOM 0 HB3 LEU A 52 25.572 -13.008 17.000 1.00 35.06 H new ATOM 0 HG LEU A 52 25.275 -12.930 14.220 1.00 36.47 H new ATOM 0 HD11 LEU A 52 23.892 -14.799 14.666 1.00 33.10 H new ATOM 0 HD12 LEU A 52 25.315 -15.015 15.327 1.00 33.10 H new ATOM 0 HD13 LEU A 52 24.088 -14.564 16.220 1.00 33.10 H new ATOM 0 HD21 LEU A 52 22.994 -12.509 14.355 1.00 36.10 H new ATOM 0 HD22 LEU A 52 23.130 -12.249 15.911 1.00 36.10 H new ATOM 0 HD23 LEU A 52 23.813 -11.259 14.880 1.00 36.10 H new ATOM 384 N LYS A 53 23.948 -9.939 17.389 1.00 33.39 N ATOM 385 CA LYS A 53 23.003 -9.507 18.417 1.00 31.55 C ATOM 386 C LYS A 53 21.567 -9.974 18.157 1.00 29.65 C ATOM 387 O LYS A 53 20.764 -10.059 19.089 1.00 26.83 O ATOM 388 CB LYS A 53 22.977 -7.977 18.496 1.00 34.36 C ATOM 389 CG LYS A 53 24.301 -7.304 18.812 1.00 36.76 C ATOM 390 CD LYS A 53 24.714 -7.578 20.237 1.00 42.37 C ATOM 391 CE LYS A 53 25.957 -6.782 20.626 1.00 43.92 C ATOM 392 NZ LYS A 53 26.253 -6.990 22.071 1.00 45.93 N ATOM 0 H LYS A 53 23.766 -9.642 16.603 1.00 33.39 H new ATOM 0 HA LYS A 53 23.313 -9.908 19.244 1.00 31.55 H new ATOM 0 HB2 LYS A 53 22.654 -7.633 17.649 1.00 34.36 H new ATOM 0 HB3 LYS A 53 22.333 -7.717 19.173 1.00 34.36 H new ATOM 0 HG2 LYS A 53 24.985 -7.626 18.205 1.00 36.76 H new ATOM 0 HG3 LYS A 53 24.224 -6.347 18.671 1.00 36.76 H new ATOM 0 HD2 LYS A 53 23.984 -7.352 20.835 1.00 42.37 H new ATOM 0 HD3 LYS A 53 24.888 -8.526 20.347 1.00 42.37 H new ATOM 0 HE2 LYS A 53 26.714 -7.063 20.088 1.00 43.92 H new ATOM 0 HE3 LYS A 53 25.817 -5.839 20.448 1.00 43.92 H new ATOM 0 HZ1 LYS A 53 26.978 -6.525 22.296 1.00 45.93 H new ATOM 0 HZ2 LYS A 53 25.561 -6.714 22.559 1.00 45.93 H new ATOM 0 HZ3 LYS A 53 26.397 -7.855 22.223 1.00 45.93 H new ATOM 393 N LYS A 54 21.240 -10.267 16.900 1.00 27.72 N ATOM 394 CA LYS A 54 19.869 -10.654 16.562 1.00 27.44 C ATOM 395 C LYS A 54 19.742 -11.640 15.417 1.00 26.53 C ATOM 396 O LYS A 54 20.376 -11.476 14.371 1.00 25.78 O ATOM 397 CB LYS A 54 19.067 -9.399 16.204 1.00 27.69 C ATOM 398 CG LYS A 54 17.632 -9.651 15.794 1.00 26.91 C ATOM 399 CD LYS A 54 16.814 -10.136 16.979 1.00 28.75 C ATOM 400 CE LYS A 54 15.348 -10.286 16.623 1.00 30.56 C ATOM 401 NZ LYS A 54 14.535 -10.689 17.808 1.00 30.57 N ATOM 0 H LYS A 54 21.787 -10.249 16.236 1.00 27.72 H new ATOM 0 HA LYS A 54 19.527 -11.105 17.350 1.00 27.44 H new ATOM 0 HB2 LYS A 54 19.071 -8.801 16.968 1.00 27.69 H new ATOM 0 HB3 LYS A 54 19.520 -8.938 15.480 1.00 27.69 H new ATOM 0 HG2 LYS A 54 17.244 -8.836 15.439 1.00 26.91 H new ATOM 0 HG3 LYS A 54 17.605 -10.311 15.084 1.00 26.91 H new ATOM 0 HD2 LYS A 54 17.162 -10.988 17.286 1.00 28.75 H new ATOM 0 HD3 LYS A 54 16.907 -9.510 17.714 1.00 28.75 H new ATOM 0 HE2 LYS A 54 15.012 -9.447 16.269 1.00 30.56 H new ATOM 0 HE3 LYS A 54 15.250 -10.949 15.922 1.00 30.56 H new ATOM 0 HZ1 LYS A 54 13.863 -11.209 17.544 1.00 30.57 H new ATOM 0 HZ2 LYS A 54 15.048 -11.136 18.382 1.00 30.57 H new ATOM 0 HZ3 LYS A 54 14.209 -9.963 18.206 1.00 30.57 H new ATOM 402 N ILE A 55 18.889 -12.643 15.607 1.00 24.97 N ATOM 403 CA ILE A 55 18.654 -13.661 14.583 1.00 25.16 C ATOM 404 C ILE A 55 17.190 -13.732 14.186 1.00 26.04 C ATOM 405 O ILE A 55 16.306 -13.846 15.045 1.00 25.19 O ATOM 406 CB ILE A 55 19.044 -15.079 15.070 1.00 24.33 C ATOM 407 CG1 ILE A 55 20.530 -15.125 15.410 1.00 28.26 C ATOM 408 CG2 ILE A 55 18.714 -16.114 14.003 1.00 24.45 C ATOM 409 CD1 ILE A 55 20.987 -16.446 15.971 1.00 28.93 C ATOM 0 H ILE A 55 18.432 -12.753 16.327 1.00 24.97 H new ATOM 0 HA ILE A 55 19.205 -13.395 13.831 1.00 25.16 H new ATOM 0 HB ILE A 55 18.534 -15.286 15.869 1.00 24.33 H new ATOM 0 HG12 ILE A 55 21.042 -14.929 14.610 1.00 28.26 H new ATOM 0 HG13 ILE A 55 20.728 -14.425 16.052 1.00 28.26 H new ATOM 0 HG21 ILE A 55 18.963 -16.996 14.320 1.00 24.45 H new ATOM 0 HG22 ILE A 55 17.762 -16.094 13.816 1.00 24.45 H new ATOM 0 HG23 ILE A 55 19.206 -15.912 13.192 1.00 24.45 H new ATOM 0 HD11 ILE A 55 21.937 -16.405 16.164 1.00 28.93 H new ATOM 0 HD12 ILE A 55 20.500 -16.637 16.788 1.00 28.93 H new ATOM 0 HD13 ILE A 55 20.819 -17.148 15.323 1.00 28.93 H new ATOM 410 N TYR A 56 16.940 -13.653 12.884 1.00 23.55 N ATOM 411 CA TYR A 56 15.595 -13.782 12.360 1.00 23.44 C ATOM 412 C TYR A 56 15.628 -15.096 11.606 1.00 22.93 C ATOM 413 O TYR A 56 16.264 -15.189 10.552 1.00 20.68 O ATOM 414 CB TYR A 56 15.251 -12.656 11.386 1.00 25.88 C ATOM 415 CG TYR A 56 15.033 -11.321 12.050 1.00 28.72 C ATOM 416 CD1 TYR A 56 16.052 -10.376 12.106 1.00 28.85 C ATOM 417 CD2 TYR A 56 13.805 -11.009 12.637 1.00 29.93 C ATOM 418 CE1 TYR A 56 15.855 -9.141 12.734 1.00 33.54 C ATOM 419 CE2 TYR A 56 13.597 -9.784 13.266 1.00 30.46 C ATOM 420 CZ TYR A 56 14.626 -8.856 13.312 1.00 33.43 C ATOM 421 OH TYR A 56 14.436 -7.652 13.950 1.00 31.86 O ATOM 0 H TYR A 56 17.544 -13.524 12.286 1.00 23.55 H new ATOM 0 HA TYR A 56 14.932 -13.744 13.067 1.00 23.44 H new ATOM 0 HB2 TYR A 56 15.967 -12.572 10.737 1.00 25.88 H new ATOM 0 HB3 TYR A 56 14.450 -12.898 10.895 1.00 25.88 H new ATOM 0 HD1 TYR A 56 16.876 -10.568 11.720 1.00 28.85 H new ATOM 0 HD2 TYR A 56 13.114 -11.630 12.607 1.00 29.93 H new ATOM 0 HE1 TYR A 56 16.543 -8.516 12.764 1.00 33.54 H new ATOM 0 HE2 TYR A 56 12.774 -9.590 13.652 1.00 30.46 H new ATOM 0 HH TYR A 56 13.884 -7.750 14.575 1.00 31.86 H new ATOM 422 N PHE A 57 14.965 -16.114 12.142 1.00 20.61 N ATOM 423 CA PHE A 57 14.947 -17.406 11.474 1.00 21.85 C ATOM 424 C PHE A 57 13.625 -17.704 10.777 1.00 23.37 C ATOM 425 O PHE A 57 12.538 -17.499 11.341 1.00 23.84 O ATOM 426 CB PHE A 57 15.236 -18.540 12.455 1.00 21.90 C ATOM 427 CG PHE A 57 15.535 -19.842 11.782 1.00 23.14 C ATOM 428 CD1 PHE A 57 16.827 -20.143 11.369 1.00 27.33 C ATOM 429 CD2 PHE A 57 14.520 -20.742 11.496 1.00 26.23 C ATOM 430 CE1 PHE A 57 17.098 -21.316 10.677 1.00 27.16 C ATOM 431 CE2 PHE A 57 14.784 -21.923 10.802 1.00 26.59 C ATOM 432 CZ PHE A 57 16.075 -22.205 10.392 1.00 27.07 C ATOM 0 H PHE A 57 14.526 -16.078 12.880 1.00 20.61 H new ATOM 0 HA PHE A 57 15.643 -17.354 10.800 1.00 21.85 H new ATOM 0 HB2 PHE A 57 15.989 -18.292 13.014 1.00 21.90 H new ATOM 0 HB3 PHE A 57 14.472 -18.654 13.042 1.00 21.90 H new ATOM 0 HD1 PHE A 57 17.519 -19.551 11.558 1.00 27.33 H new ATOM 0 HD2 PHE A 57 13.651 -20.556 11.771 1.00 26.23 H new ATOM 0 HE1 PHE A 57 17.967 -21.505 10.405 1.00 27.16 H new ATOM 0 HE2 PHE A 57 14.095 -22.519 10.616 1.00 26.59 H new ATOM 0 HZ PHE A 57 16.255 -22.989 9.926 1.00 27.07 H new ATOM 433 N TYR A 58 13.734 -18.204 9.552 1.00 21.77 N ATOM 434 CA TYR A 58 12.580 -18.577 8.757 1.00 23.06 C ATOM 435 C TYR A 58 12.661 -20.054 8.409 1.00 24.37 C ATOM 436 O TYR A 58 13.639 -20.509 7.799 1.00 22.25 O ATOM 437 CB TYR A 58 12.524 -17.754 7.465 1.00 25.59 C ATOM 438 CG TYR A 58 12.271 -16.291 7.693 1.00 26.58 C ATOM 439 CD1 TYR A 58 13.310 -15.433 8.037 1.00 28.95 C ATOM 440 CD2 TYR A 58 10.981 -15.765 7.604 1.00 30.37 C ATOM 441 CE1 TYR A 58 13.077 -14.090 8.285 1.00 31.45 C ATOM 442 CE2 TYR A 58 10.734 -14.415 7.856 1.00 30.70 C ATOM 443 CZ TYR A 58 11.790 -13.587 8.194 1.00 33.68 C ATOM 444 OH TYR A 58 11.568 -12.253 8.440 1.00 36.24 O ATOM 0 H TYR A 58 14.487 -18.336 9.159 1.00 21.77 H new ATOM 0 HA TYR A 58 11.778 -18.401 9.274 1.00 23.06 H new ATOM 0 HB2 TYR A 58 13.362 -17.859 6.987 1.00 25.59 H new ATOM 0 HB3 TYR A 58 11.825 -18.110 6.894 1.00 25.59 H new ATOM 0 HD1 TYR A 58 14.176 -15.766 8.102 1.00 28.95 H new ATOM 0 HD2 TYR A 58 10.274 -16.324 7.373 1.00 30.37 H new ATOM 0 HE1 TYR A 58 13.783 -13.528 8.512 1.00 31.45 H new ATOM 0 HE2 TYR A 58 9.870 -14.076 7.798 1.00 30.70 H new ATOM 0 HH TYR A 58 10.755 -12.078 8.323 1.00 36.24 H new ATOM 445 N TRP A 59 11.638 -20.808 8.804 1.00 23.74 N ATOM 446 CA TRP A 59 11.594 -22.239 8.512 1.00 24.07 C ATOM 447 C TRP A 59 10.425 -22.580 7.595 1.00 24.17 C ATOM 448 O TRP A 59 9.270 -22.448 7.989 1.00 24.30 O ATOM 449 CB TRP A 59 11.491 -23.040 9.817 1.00 21.79 C ATOM 450 CG TRP A 59 11.415 -24.548 9.655 1.00 22.12 C ATOM 451 CD1 TRP A 59 11.650 -25.273 8.521 1.00 25.23 C ATOM 452 CD2 TRP A 59 11.071 -25.497 10.670 1.00 23.73 C ATOM 453 NE1 TRP A 59 11.467 -26.616 8.764 1.00 23.52 N ATOM 454 CE2 TRP A 59 11.111 -26.782 10.076 1.00 25.80 C ATOM 455 CE3 TRP A 59 10.729 -25.388 12.025 1.00 24.49 C ATOM 456 CZ2 TRP A 59 10.819 -27.954 10.791 1.00 25.27 C ATOM 457 CZ3 TRP A 59 10.439 -26.551 12.739 1.00 26.54 C ATOM 458 CH2 TRP A 59 10.485 -27.821 12.115 1.00 26.17 C ATOM 0 H TRP A 59 10.960 -20.511 9.242 1.00 23.74 H new ATOM 0 HA TRP A 59 12.415 -22.478 8.054 1.00 24.07 H new ATOM 0 HB2 TRP A 59 12.260 -22.828 10.370 1.00 21.79 H new ATOM 0 HB3 TRP A 59 10.704 -22.742 10.300 1.00 21.79 H new ATOM 0 HD1 TRP A 59 11.898 -24.911 7.701 1.00 25.23 H new ATOM 0 HE1 TRP A 59 11.561 -27.247 8.187 1.00 23.52 H new ATOM 0 HE3 TRP A 59 10.696 -24.556 12.440 1.00 24.49 H new ATOM 0 HZ2 TRP A 59 10.851 -28.789 10.383 1.00 25.27 H new ATOM 0 HZ3 TRP A 59 10.212 -26.491 13.639 1.00 26.54 H new ATOM 0 HH2 TRP A 59 10.285 -28.581 12.613 1.00 26.17 H new ATOM 459 N LEU A 60 10.731 -22.997 6.366 1.00 25.85 N ATOM 460 CA LEU A 60 9.702 -23.390 5.393 1.00 29.27 C ATOM 461 C LEU A 60 9.618 -24.910 5.510 1.00 30.61 C ATOM 462 O LEU A 60 10.559 -25.630 5.160 1.00 30.92 O ATOM 463 CB LEU A 60 10.108 -23.006 3.972 1.00 30.20 C ATOM 464 CG LEU A 60 10.465 -21.552 3.658 1.00 35.28 C ATOM 465 CD1 LEU A 60 10.668 -21.431 2.151 1.00 36.80 C ATOM 466 CD2 LEU A 60 9.366 -20.603 4.111 1.00 35.62 C ATOM 0 H LEU A 60 11.536 -23.061 6.071 1.00 25.85 H new ATOM 0 HA LEU A 60 8.857 -22.948 5.571 1.00 29.27 H new ATOM 0 HB2 LEU A 60 10.873 -23.552 3.731 1.00 30.20 H new ATOM 0 HB3 LEU A 60 9.381 -23.261 3.383 1.00 30.20 H new ATOM 0 HG LEU A 60 11.274 -21.309 4.135 1.00 35.28 H new ATOM 0 HD11 LEU A 60 10.896 -20.515 1.927 1.00 36.80 H new ATOM 0 HD12 LEU A 60 11.387 -22.020 1.873 1.00 36.80 H new ATOM 0 HD13 LEU A 60 9.850 -21.681 1.693 1.00 36.80 H new ATOM 0 HD21 LEU A 60 9.619 -19.691 3.900 1.00 35.62 H new ATOM 0 HD22 LEU A 60 8.539 -20.823 3.654 1.00 35.62 H new ATOM 0 HD23 LEU A 60 9.238 -20.689 5.069 1.00 35.62 H new ATOM 467 N CYS A 61 8.487 -25.390 6.000 1.00 31.14 N ATOM 468 CA CYS A 61 8.303 -26.812 6.245 1.00 34.17 C ATOM 469 C CYS A 61 7.075 -27.417 5.562 1.00 36.03 C ATOM 470 O CYS A 61 6.023 -26.781 5.476 1.00 33.20 O ATOM 471 CB CYS A 61 8.209 -27.008 7.761 1.00 33.45 C ATOM 472 SG CYS A 61 7.834 -28.661 8.344 1.00 36.26 S ATOM 0 H CYS A 61 7.806 -24.904 6.200 1.00 31.14 H new ATOM 0 HA CYS A 61 9.061 -27.279 5.860 1.00 34.17 H new ATOM 0 HB2 CYS A 61 9.052 -26.734 8.154 1.00 33.45 H new ATOM 0 HB3 CYS A 61 7.529 -26.406 8.101 1.00 33.45 H new ATOM 0 HG CYS A 61 7.795 -28.663 9.543 1.00 36.26 H new ATOM 473 N ARG A 62 7.217 -28.648 5.079 1.00 37.53 N ATOM 474 CA ARG A 62 6.097 -29.333 4.443 1.00 41.58 C ATOM 475 C ARG A 62 5.622 -30.414 5.392 1.00 41.92 C ATOM 476 O ARG A 62 4.452 -30.465 5.755 1.00 43.53 O ATOM 477 CB ARG A 62 6.512 -29.985 3.127 1.00 44.41 C ATOM 478 CG ARG A 62 7.321 -29.099 2.214 1.00 47.64 C ATOM 479 CD ARG A 62 7.383 -29.700 0.821 1.00 54.23 C ATOM 480 NE ARG A 62 6.110 -29.573 0.111 1.00 55.80 N ATOM 481 CZ ARG A 62 5.597 -28.419 -0.312 1.00 56.95 C ATOM 482 NH1 ARG A 62 6.242 -27.279 -0.101 1.00 56.92 N ATOM 483 NH2 ARG A 62 4.436 -28.406 -0.955 1.00 57.60 N ATOM 0 H ARG A 62 7.948 -29.101 5.109 1.00 37.53 H new ATOM 0 HA ARG A 62 5.399 -28.688 4.251 1.00 41.58 H new ATOM 0 HB2 ARG A 62 7.027 -30.783 3.324 1.00 44.41 H new ATOM 0 HB3 ARG A 62 5.714 -30.272 2.656 1.00 44.41 H new ATOM 0 HG2 ARG A 62 6.924 -28.215 2.175 1.00 47.64 H new ATOM 0 HG3 ARG A 62 8.218 -28.992 2.568 1.00 47.64 H new ATOM 0 HD2 ARG A 62 8.082 -29.261 0.311 1.00 54.23 H new ATOM 0 HD3 ARG A 62 7.625 -30.637 0.885 1.00 54.23 H new ATOM 0 HE ARG A 62 5.663 -30.291 -0.043 1.00 55.80 H new ATOM 0 HH11 ARG A 62 6.997 -27.282 0.311 1.00 56.92 H new ATOM 0 HH12 ARG A 62 5.905 -26.537 -0.377 1.00 56.92 H new ATOM 0 HH21 ARG A 62 4.016 -29.142 -1.098 1.00 57.60 H new ATOM 0 HH22 ARG A 62 4.104 -27.661 -1.228 1.00 57.60 H new ATOM 484 N ASP A 63 6.555 -31.270 5.795 1.00 42.12 N ATOM 485 CA ASP A 63 6.282 -32.382 6.697 1.00 41.57 C ATOM 486 C ASP A 63 6.710 -31.979 8.107 1.00 41.30 C ATOM 487 O ASP A 63 7.899 -31.814 8.369 1.00 39.80 O ATOM 488 CB ASP A 63 7.082 -33.599 6.232 1.00 42.60 C ATOM 489 CG ASP A 63 6.643 -34.879 6.892 1.00 42.00 C ATOM 490 OD1 ASP A 63 6.470 -34.899 8.130 1.00 44.14 O ATOM 491 OD2 ASP A 63 6.486 -35.878 6.162 1.00 46.06 O ATOM 0 H ASP A 63 7.377 -31.220 5.548 1.00 42.12 H new ATOM 0 HA ASP A 63 5.337 -32.602 6.697 1.00 41.57 H new ATOM 0 HB2 ASP A 63 6.993 -33.690 5.270 1.00 42.60 H new ATOM 0 HB3 ASP A 63 8.023 -33.452 6.417 1.00 42.60 H new ATOM 492 N THR A 64 5.750 -31.836 9.016 1.00 41.97 N ATOM 493 CA THR A 64 6.074 -31.414 10.380 1.00 43.09 C ATOM 494 C THR A 64 6.702 -32.499 11.249 1.00 43.06 C ATOM 495 O THR A 64 7.420 -32.195 12.201 1.00 44.62 O ATOM 496 CB THR A 64 4.828 -30.870 11.130 1.00 43.35 C ATOM 497 OG1 THR A 64 4.022 -31.964 11.592 1.00 43.26 O ATOM 498 CG2 THR A 64 4.002 -29.972 10.214 1.00 43.99 C ATOM 0 H THR A 64 4.914 -31.976 8.868 1.00 41.97 H new ATOM 0 HA THR A 64 6.733 -30.715 10.250 1.00 43.09 H new ATOM 0 HB THR A 64 5.128 -30.347 11.890 1.00 43.35 H new ATOM 0 HG1 THR A 64 3.350 -31.665 11.998 1.00 43.26 H new ATOM 0 HG21 THR A 64 3.229 -29.641 10.697 1.00 43.99 H new ATOM 0 HG22 THR A 64 4.544 -29.223 9.920 1.00 43.99 H new ATOM 0 HG23 THR A 64 3.708 -30.480 9.442 1.00 43.99 H new ATOM 499 N HIS A 65 6.432 -33.758 10.929 1.00 43.11 N ATOM 500 CA HIS A 65 6.981 -34.857 11.713 1.00 42.85 C ATOM 501 C HIS A 65 8.403 -35.230 11.286 1.00 41.14 C ATOM 502 O HIS A 65 9.251 -35.515 12.129 1.00 40.49 O ATOM 503 CB HIS A 65 6.075 -36.085 11.605 1.00 45.01 C ATOM 504 CG HIS A 65 6.496 -37.217 12.488 1.00 47.08 C ATOM 505 ND1 HIS A 65 6.427 -37.150 13.863 1.00 49.74 N ATOM 506 CD2 HIS A 65 7.032 -38.425 12.197 1.00 47.99 C ATOM 507 CE1 HIS A 65 6.905 -38.266 14.381 1.00 49.23 C ATOM 508 NE2 HIS A 65 7.280 -39.057 13.392 1.00 50.05 N ATOM 0 H HIS A 65 5.937 -33.997 10.267 1.00 43.11 H new ATOM 0 HA HIS A 65 7.023 -34.554 12.633 1.00 42.85 H new ATOM 0 HB2 HIS A 65 5.167 -35.829 11.830 1.00 45.01 H new ATOM 0 HB3 HIS A 65 6.064 -36.390 10.684 1.00 45.01 H new ATOM 0 HD1 HIS A 65 6.120 -36.485 14.313 1.00 49.74 H new ATOM 0 HD2 HIS A 65 7.201 -38.764 11.348 1.00 47.99 H new ATOM 0 HE1 HIS A 65 6.967 -38.462 15.288 1.00 49.23 H new ATOM 509 N ALA A 66 8.650 -35.218 9.979 1.00 40.71 N ATOM 510 CA ALA A 66 9.952 -35.557 9.414 1.00 40.83 C ATOM 511 C ALA A 66 11.109 -34.838 10.106 1.00 41.40 C ATOM 512 O ALA A 66 12.173 -35.416 10.302 1.00 41.79 O ATOM 513 CB ALA A 66 9.965 -35.239 7.934 1.00 40.21 C ATOM 0 H ALA A 66 8.059 -35.010 9.389 1.00 40.71 H new ATOM 0 HA ALA A 66 10.084 -36.507 9.557 1.00 40.83 H new ATOM 0 HB1 ALA A 66 10.832 -35.465 7.562 1.00 40.21 H new ATOM 0 HB2 ALA A 66 9.276 -35.755 7.486 1.00 40.21 H new ATOM 0 HB3 ALA A 66 9.795 -34.293 7.805 1.00 40.21 H new ATOM 514 N PHE A 67 10.902 -33.575 10.467 1.00 41.22 N ATOM 515 CA PHE A 67 11.932 -32.797 11.144 1.00 41.16 C ATOM 516 C PHE A 67 11.423 -32.293 12.484 1.00 41.04 C ATOM 517 O PHE A 67 11.717 -31.169 12.900 1.00 41.05 O ATOM 518 CB PHE A 67 12.367 -31.624 10.269 1.00 42.89 C ATOM 519 CG PHE A 67 12.925 -32.042 8.944 1.00 42.53 C ATOM 520 CD1 PHE A 67 12.160 -31.937 7.790 1.00 44.51 C ATOM 521 CD2 PHE A 67 14.209 -32.566 8.852 1.00 44.99 C ATOM 522 CE1 PHE A 67 12.667 -32.348 6.559 1.00 45.74 C ATOM 523 CE2 PHE A 67 14.727 -32.983 7.625 1.00 45.14 C ATOM 524 CZ PHE A 67 13.954 -32.873 6.477 1.00 44.68 C ATOM 0 H PHE A 67 10.168 -33.149 10.328 1.00 41.22 H new ATOM 0 HA PHE A 67 12.698 -33.370 11.302 1.00 41.16 H new ATOM 0 HB2 PHE A 67 11.607 -31.040 10.122 1.00 42.89 H new ATOM 0 HB3 PHE A 67 13.035 -31.106 10.744 1.00 42.89 H new ATOM 0 HD1 PHE A 67 11.299 -31.588 7.839 1.00 44.51 H new ATOM 0 HD2 PHE A 67 14.730 -32.640 9.619 1.00 44.99 H new ATOM 0 HE1 PHE A 67 12.146 -32.272 5.792 1.00 45.74 H new ATOM 0 HE2 PHE A 67 15.587 -33.333 7.577 1.00 45.14 H new ATOM 0 HZ PHE A 67 14.294 -33.149 5.657 1.00 44.68 H new ATOM 525 N GLU A 68 10.655 -33.149 13.151 1.00 39.49 N ATOM 526 CA GLU A 68 10.076 -32.858 14.456 1.00 37.83 C ATOM 527 C GLU A 68 11.187 -32.452 15.413 1.00 35.89 C ATOM 528 O GLU A 68 11.002 -31.601 16.279 1.00 33.56 O ATOM 529 CB GLU A 68 9.382 -34.114 14.997 1.00 38.93 C ATOM 530 CG GLU A 68 8.224 -33.885 15.961 1.00 41.84 C ATOM 531 CD GLU A 68 8.557 -32.962 17.119 1.00 41.26 C ATOM 532 OE1 GLU A 68 8.471 -31.726 16.939 1.00 39.16 O ATOM 533 OE2 GLU A 68 8.899 -33.475 18.207 1.00 40.27 O ATOM 0 H GLU A 68 10.453 -33.929 12.851 1.00 39.49 H new ATOM 0 HA GLU A 68 9.430 -32.139 14.374 1.00 37.83 H new ATOM 0 HB2 GLU A 68 9.053 -34.628 14.243 1.00 38.93 H new ATOM 0 HB3 GLU A 68 10.047 -34.660 15.445 1.00 38.93 H new ATOM 0 HG2 GLU A 68 7.475 -33.514 15.469 1.00 41.84 H new ATOM 0 HG3 GLU A 68 7.936 -34.741 16.315 1.00 41.84 H new ATOM 534 N TRP A 69 12.348 -33.075 15.251 1.00 34.53 N ATOM 535 CA TRP A 69 13.483 -32.792 16.113 1.00 32.61 C ATOM 536 C TRP A 69 13.942 -31.344 15.989 1.00 30.16 C ATOM 537 O TRP A 69 14.452 -30.768 16.948 1.00 30.25 O ATOM 538 CB TRP A 69 14.652 -33.726 15.776 1.00 32.44 C ATOM 539 CG TRP A 69 15.152 -33.569 14.381 1.00 31.55 C ATOM 540 CD1 TRP A 69 14.706 -34.223 13.268 1.00 32.44 C ATOM 541 CD2 TRP A 69 16.191 -32.683 13.938 1.00 32.18 C ATOM 542 NE1 TRP A 69 15.405 -33.801 12.158 1.00 32.02 N ATOM 543 CE2 TRP A 69 16.321 -32.856 12.543 1.00 31.45 C ATOM 544 CE3 TRP A 69 17.023 -31.761 14.585 1.00 29.76 C ATOM 545 CZ2 TRP A 69 17.252 -32.139 11.784 1.00 31.83 C ATOM 546 CZ3 TRP A 69 17.949 -31.048 13.831 1.00 31.07 C ATOM 547 CH2 TRP A 69 18.055 -31.243 12.446 1.00 32.02 C ATOM 0 H TRP A 69 12.498 -33.667 14.645 1.00 34.53 H new ATOM 0 HA TRP A 69 13.195 -32.942 17.027 1.00 32.61 H new ATOM 0 HB2 TRP A 69 15.380 -33.558 16.394 1.00 32.44 H new ATOM 0 HB3 TRP A 69 14.372 -34.645 15.911 1.00 32.44 H new ATOM 0 HD1 TRP A 69 14.029 -34.861 13.260 1.00 32.44 H new ATOM 0 HE1 TRP A 69 15.286 -34.084 11.355 1.00 32.02 H new ATOM 0 HE3 TRP A 69 16.957 -31.628 15.503 1.00 29.76 H new ATOM 0 HZ2 TRP A 69 17.324 -32.264 10.865 1.00 31.83 H new ATOM 0 HZ3 TRP A 69 18.506 -30.433 14.251 1.00 31.07 H new ATOM 0 HH2 TRP A 69 18.683 -30.754 11.965 1.00 32.02 H new ATOM 548 N PHE A 70 13.771 -30.749 14.815 1.00 28.24 N ATOM 549 CA PHE A 70 14.200 -29.369 14.650 1.00 27.35 C ATOM 550 C PHE A 70 13.310 -28.416 15.446 1.00 27.28 C ATOM 551 O PHE A 70 13.789 -27.420 16.000 1.00 26.22 O ATOM 552 CB PHE A 70 14.208 -28.959 13.178 1.00 26.19 C ATOM 553 CG PHE A 70 14.814 -27.595 12.947 1.00 26.38 C ATOM 554 CD1 PHE A 70 16.180 -27.387 13.145 1.00 29.07 C ATOM 555 CD2 PHE A 70 14.015 -26.508 12.609 1.00 25.22 C ATOM 556 CE1 PHE A 70 16.737 -26.110 13.015 1.00 28.00 C ATOM 557 CE2 PHE A 70 14.558 -25.230 12.478 1.00 27.93 C ATOM 558 CZ PHE A 70 15.924 -25.031 12.683 1.00 28.53 C ATOM 0 H PHE A 70 13.419 -31.114 14.120 1.00 28.24 H new ATOM 0 HA PHE A 70 15.106 -29.310 14.992 1.00 27.35 H new ATOM 0 HB2 PHE A 70 14.703 -29.618 12.667 1.00 26.19 H new ATOM 0 HB3 PHE A 70 13.298 -28.964 12.841 1.00 26.19 H new ATOM 0 HD1 PHE A 70 16.727 -28.106 13.366 1.00 29.07 H new ATOM 0 HD2 PHE A 70 13.105 -26.635 12.468 1.00 25.22 H new ATOM 0 HE1 PHE A 70 17.648 -25.983 13.150 1.00 28.00 H new ATOM 0 HE2 PHE A 70 14.011 -24.512 12.254 1.00 27.93 H new ATOM 0 HZ PHE A 70 16.290 -24.180 12.598 1.00 28.53 H new ATOM 559 N ALA A 71 12.015 -28.715 15.507 1.00 27.10 N ATOM 560 CA ALA A 71 11.090 -27.874 16.262 1.00 27.31 C ATOM 561 C ALA A 71 11.454 -27.948 17.745 1.00 26.29 C ATOM 562 O ALA A 71 11.413 -26.945 18.463 1.00 27.26 O ATOM 563 CB ALA A 71 9.625 -28.342 16.035 1.00 25.13 C ATOM 0 H ALA A 71 11.654 -29.394 15.122 1.00 27.10 H new ATOM 0 HA ALA A 71 11.160 -26.956 15.957 1.00 27.31 H new ATOM 0 HB1 ALA A 71 9.022 -27.776 16.542 1.00 25.13 H new ATOM 0 HB2 ALA A 71 9.408 -28.282 15.091 1.00 25.13 H new ATOM 0 HB3 ALA A 71 9.529 -29.261 16.330 1.00 25.13 H new ATOM 564 N ASP A 72 11.821 -29.138 18.206 1.00 27.27 N ATOM 565 CA ASP A 72 12.188 -29.304 19.604 1.00 25.88 C ATOM 566 C ASP A 72 13.452 -28.520 19.886 1.00 25.02 C ATOM 567 O ASP A 72 13.616 -27.968 20.970 1.00 23.84 O ATOM 568 CB ASP A 72 12.408 -30.781 19.931 1.00 29.17 C ATOM 569 CG ASP A 72 11.147 -31.594 19.767 1.00 30.83 C ATOM 570 OD1 ASP A 72 10.070 -30.980 19.832 1.00 28.89 O ATOM 571 OD2 ASP A 72 11.229 -32.819 19.580 1.00 33.15 O ATOM 0 H ASP A 72 11.864 -29.854 17.731 1.00 27.27 H new ATOM 0 HA ASP A 72 11.466 -28.972 20.161 1.00 25.88 H new ATOM 0 HB2 ASP A 72 13.100 -31.139 19.353 1.00 29.17 H new ATOM 0 HB3 ASP A 72 12.729 -30.865 20.843 1.00 29.17 H new ATOM 572 N LEU A 73 14.347 -28.470 18.905 1.00 23.53 N ATOM 573 CA LEU A 73 15.590 -27.729 19.086 1.00 25.79 C ATOM 574 C LEU A 73 15.283 -26.246 19.247 1.00 24.93 C ATOM 575 O LEU A 73 15.842 -25.584 20.123 1.00 25.64 O ATOM 576 CB LEU A 73 16.520 -27.961 17.893 1.00 25.29 C ATOM 577 CG LEU A 73 17.840 -27.187 17.880 1.00 24.59 C ATOM 578 CD1 LEU A 73 18.593 -27.429 19.173 1.00 25.66 C ATOM 579 CD2 LEU A 73 18.678 -27.648 16.687 1.00 23.98 C ATOM 0 H LEU A 73 14.257 -28.851 18.139 1.00 23.53 H new ATOM 0 HA LEU A 73 16.038 -28.044 19.887 1.00 25.79 H new ATOM 0 HB2 LEU A 73 16.725 -28.908 17.851 1.00 25.29 H new ATOM 0 HB3 LEU A 73 16.033 -27.740 17.084 1.00 25.29 H new ATOM 0 HG LEU A 73 17.661 -26.237 17.800 1.00 24.59 H new ATOM 0 HD11 LEU A 73 19.428 -26.936 19.158 1.00 25.66 H new ATOM 0 HD12 LEU A 73 18.054 -27.130 19.922 1.00 25.66 H new ATOM 0 HD13 LEU A 73 18.779 -28.376 19.267 1.00 25.66 H new ATOM 0 HD21 LEU A 73 19.517 -27.161 16.673 1.00 23.98 H new ATOM 0 HD22 LEU A 73 18.858 -28.598 16.765 1.00 23.98 H new ATOM 0 HD23 LEU A 73 18.192 -27.478 15.865 1.00 23.98 H new ATOM 580 N LEU A 74 14.377 -25.726 18.419 1.00 25.83 N ATOM 581 CA LEU A 74 14.001 -24.317 18.492 1.00 25.78 C ATOM 582 C LEU A 74 13.420 -23.973 19.859 1.00 27.21 C ATOM 583 O LEU A 74 13.769 -22.952 20.449 1.00 27.75 O ATOM 584 CB LEU A 74 12.984 -23.965 17.397 1.00 25.73 C ATOM 585 CG LEU A 74 13.504 -23.757 15.974 1.00 27.68 C ATOM 586 CD1 LEU A 74 12.335 -23.519 15.013 1.00 28.55 C ATOM 587 CD2 LEU A 74 14.441 -22.551 15.962 1.00 29.06 C ATOM 0 H LEU A 74 13.969 -26.173 17.808 1.00 25.83 H new ATOM 0 HA LEU A 74 14.807 -23.794 18.355 1.00 25.78 H new ATOM 0 HB2 LEU A 74 12.320 -24.671 17.370 1.00 25.73 H new ATOM 0 HB3 LEU A 74 12.525 -23.154 17.667 1.00 25.73 H new ATOM 0 HG LEU A 74 13.983 -24.549 15.685 1.00 27.68 H new ATOM 0 HD11 LEU A 74 12.676 -23.388 14.114 1.00 28.55 H new ATOM 0 HD12 LEU A 74 11.744 -24.288 15.026 1.00 28.55 H new ATOM 0 HD13 LEU A 74 11.844 -22.730 15.290 1.00 28.55 H new ATOM 0 HD21 LEU A 74 14.777 -22.411 15.063 1.00 29.06 H new ATOM 0 HD22 LEU A 74 13.957 -21.762 16.253 1.00 29.06 H new ATOM 0 HD23 LEU A 74 15.185 -22.713 16.563 1.00 29.06 H new ATOM 588 N GLN A 75 12.527 -24.819 20.361 1.00 26.19 N ATOM 589 CA GLN A 75 11.937 -24.575 21.667 1.00 28.29 C ATOM 590 C GLN A 75 13.032 -24.630 22.724 1.00 28.74 C ATOM 591 O GLN A 75 13.067 -23.803 23.631 1.00 32.49 O ATOM 592 CB GLN A 75 10.870 -25.622 21.976 1.00 28.23 C ATOM 593 CG GLN A 75 9.827 -25.759 20.883 1.00 33.06 C ATOM 594 CD GLN A 75 8.792 -26.815 21.205 1.00 35.98 C ATOM 595 OE1 GLN A 75 7.846 -26.568 21.964 1.00 38.02 O ATOM 596 NE2 GLN A 75 8.971 -28.008 20.645 1.00 34.66 N ATOM 0 H GLN A 75 12.253 -25.532 19.965 1.00 26.19 H new ATOM 0 HA GLN A 75 11.518 -23.700 21.669 1.00 28.29 H new ATOM 0 HB2 GLN A 75 11.299 -26.481 22.114 1.00 28.23 H new ATOM 0 HB3 GLN A 75 10.429 -25.389 22.808 1.00 28.23 H new ATOM 0 HG2 GLN A 75 9.385 -24.906 20.752 1.00 33.06 H new ATOM 0 HG3 GLN A 75 10.265 -25.983 20.047 1.00 33.06 H new ATOM 0 HE21 GLN A 75 9.641 -28.142 20.123 1.00 34.66 H new ATOM 0 HE22 GLN A 75 8.417 -28.646 20.805 1.00 34.66 H new ATOM 597 N LEU A 76 13.930 -25.603 22.605 1.00 28.88 N ATOM 598 CA LEU A 76 15.017 -25.726 23.577 1.00 30.42 C ATOM 599 C LEU A 76 15.842 -24.444 23.629 1.00 29.32 C ATOM 600 O LEU A 76 16.065 -23.878 24.704 1.00 31.10 O ATOM 601 CB LEU A 76 15.924 -26.914 23.228 1.00 31.38 C ATOM 602 CG LEU A 76 17.195 -27.030 24.090 1.00 32.14 C ATOM 603 CD1 LEU A 76 16.809 -27.141 25.557 1.00 32.75 C ATOM 604 CD2 LEU A 76 18.021 -28.239 23.664 1.00 32.79 C ATOM 0 H LEU A 76 13.931 -26.194 21.980 1.00 28.88 H new ATOM 0 HA LEU A 76 14.621 -25.879 24.449 1.00 30.42 H new ATOM 0 HB2 LEU A 76 15.412 -27.733 23.317 1.00 31.38 H new ATOM 0 HB3 LEU A 76 16.185 -26.843 22.297 1.00 31.38 H new ATOM 0 HG LEU A 76 17.736 -26.235 23.964 1.00 32.14 H new ATOM 0 HD11 LEU A 76 17.611 -27.214 26.098 1.00 32.75 H new ATOM 0 HD12 LEU A 76 16.312 -26.351 25.822 1.00 32.75 H new ATOM 0 HD13 LEU A 76 16.258 -27.929 25.688 1.00 32.75 H new ATOM 0 HD21 LEU A 76 18.817 -28.298 24.215 1.00 32.79 H new ATOM 0 HD22 LEU A 76 17.493 -29.046 23.771 1.00 32.79 H new ATOM 0 HD23 LEU A 76 18.279 -28.143 22.734 1.00 32.79 H new ATOM 605 N LEU A 77 16.291 -23.991 22.460 1.00 28.43 N ATOM 606 CA LEU A 77 17.085 -22.772 22.348 1.00 29.00 C ATOM 607 C LEU A 77 16.331 -21.581 22.914 1.00 29.66 C ATOM 608 O LEU A 77 16.870 -20.782 23.679 1.00 27.95 O ATOM 609 CB LEU A 77 17.416 -22.501 20.877 1.00 27.02 C ATOM 610 CG LEU A 77 18.404 -23.486 20.252 1.00 27.59 C ATOM 611 CD1 LEU A 77 18.434 -23.287 18.753 1.00 30.11 C ATOM 612 CD2 LEU A 77 19.793 -23.289 20.864 1.00 27.64 C ATOM 0 H LEU A 77 16.143 -24.383 21.709 1.00 28.43 H new ATOM 0 HA LEU A 77 17.903 -22.896 22.855 1.00 29.00 H new ATOM 0 HB2 LEU A 77 16.593 -22.519 20.364 1.00 27.02 H new ATOM 0 HB3 LEU A 77 17.779 -21.605 20.800 1.00 27.02 H new ATOM 0 HG LEU A 77 18.121 -24.396 20.435 1.00 27.59 H new ATOM 0 HD11 LEU A 77 19.061 -23.912 18.356 1.00 30.11 H new ATOM 0 HD12 LEU A 77 17.549 -23.442 18.388 1.00 30.11 H new ATOM 0 HD13 LEU A 77 18.712 -22.380 18.552 1.00 30.11 H new ATOM 0 HD21 LEU A 77 20.415 -23.916 20.464 1.00 27.64 H new ATOM 0 HD22 LEU A 77 20.095 -22.383 20.696 1.00 27.64 H new ATOM 0 HD23 LEU A 77 19.750 -23.443 21.821 1.00 27.64 H new ATOM 613 N GLU A 78 15.072 -21.471 22.510 1.00 28.81 N ATOM 614 CA GLU A 78 14.202 -20.401 22.944 1.00 30.74 C ATOM 615 C GLU A 78 14.129 -20.406 24.469 1.00 31.13 C ATOM 616 O GLU A 78 14.209 -19.359 25.112 1.00 31.15 O ATOM 617 CB GLU A 78 12.819 -20.628 22.333 1.00 32.51 C ATOM 618 CG GLU A 78 11.855 -19.478 22.439 1.00 37.12 C ATOM 619 CD GLU A 78 10.499 -19.823 21.844 1.00 37.56 C ATOM 620 OE1 GLU A 78 9.688 -18.901 21.661 1.00 38.57 O ATOM 621 OE2 GLU A 78 10.243 -21.019 21.567 1.00 40.33 O ATOM 0 H GLU A 78 14.699 -22.025 21.969 1.00 28.81 H new ATOM 0 HA GLU A 78 14.541 -19.539 22.655 1.00 30.74 H new ATOM 0 HB2 GLU A 78 12.931 -20.847 21.395 1.00 32.51 H new ATOM 0 HB3 GLU A 78 12.420 -21.402 22.759 1.00 32.51 H new ATOM 0 HG2 GLU A 78 11.746 -19.232 23.371 1.00 37.12 H new ATOM 0 HG3 GLU A 78 12.222 -18.705 21.982 1.00 37.12 H new ATOM 622 N SER A 79 13.989 -21.596 25.046 1.00 33.32 N ATOM 623 CA SER A 79 13.902 -21.729 26.496 1.00 36.33 C ATOM 624 C SER A 79 15.183 -21.275 27.189 1.00 36.96 C ATOM 625 O SER A 79 15.137 -20.472 28.121 1.00 36.45 O ATOM 626 CB SER A 79 13.599 -23.179 26.874 1.00 38.44 C ATOM 627 OG SER A 79 13.664 -23.348 28.279 1.00 43.47 O ATOM 0 H SER A 79 13.942 -22.339 24.615 1.00 33.32 H new ATOM 0 HA SER A 79 13.181 -21.154 26.797 1.00 36.33 H new ATOM 0 HB2 SER A 79 12.717 -23.425 26.553 1.00 38.44 H new ATOM 0 HB3 SER A 79 14.234 -23.771 26.442 1.00 38.44 H new ATOM 0 HG SER A 79 13.495 -24.147 28.473 1.00 43.47 H new ATOM 628 N GLN A 80 16.323 -21.789 26.733 1.00 37.70 N ATOM 629 CA GLN A 80 17.612 -21.422 27.312 1.00 39.03 C ATOM 630 C GLN A 80 17.810 -19.913 27.228 1.00 38.78 C ATOM 631 O GLN A 80 18.313 -19.287 28.162 1.00 38.36 O ATOM 632 CB GLN A 80 18.754 -22.118 26.564 1.00 42.14 C ATOM 633 CG GLN A 80 18.706 -23.636 26.584 1.00 47.42 C ATOM 634 CD GLN A 80 18.931 -24.213 27.968 1.00 51.98 C ATOM 635 OE1 GLN A 80 19.932 -23.913 28.622 1.00 54.23 O ATOM 636 NE2 GLN A 80 18.002 -25.050 28.422 1.00 54.20 N ATOM 0 H GLN A 80 16.371 -22.354 26.086 1.00 37.70 H new ATOM 0 HA GLN A 80 17.620 -21.703 28.240 1.00 39.03 H new ATOM 0 HB2 GLN A 80 18.746 -21.820 25.641 1.00 42.14 H new ATOM 0 HB3 GLN A 80 19.597 -21.830 26.948 1.00 42.14 H new ATOM 0 HG2 GLN A 80 17.845 -23.933 26.251 1.00 47.42 H new ATOM 0 HG3 GLN A 80 19.380 -23.985 25.979 1.00 47.42 H new ATOM 0 HE21 GLN A 80 17.317 -25.236 27.937 1.00 54.20 H new ATOM 0 HE22 GLN A 80 18.087 -25.405 29.201 1.00 54.20 H new ATOM 637 N MET A 81 17.409 -19.330 26.103 1.00 38.30 N ATOM 638 CA MET A 81 17.553 -17.895 25.900 1.00 37.90 C ATOM 639 C MET A 81 16.701 -17.074 26.860 1.00 40.29 C ATOM 640 O MET A 81 17.166 -16.064 27.397 1.00 39.10 O ATOM 641 CB MET A 81 17.217 -17.535 24.450 1.00 36.80 C ATOM 642 CG MET A 81 18.282 -17.998 23.462 1.00 33.97 C ATOM 643 SD MET A 81 17.794 -17.866 21.731 1.00 32.46 S ATOM 644 CE MET A 81 18.850 -19.144 21.007 1.00 34.95 C ATOM 0 H MET A 81 17.050 -19.750 25.444 1.00 38.30 H new ATOM 0 HA MET A 81 18.478 -17.672 26.087 1.00 37.90 H new ATOM 0 HB2 MET A 81 16.366 -17.934 24.211 1.00 36.80 H new ATOM 0 HB3 MET A 81 17.110 -16.574 24.377 1.00 36.80 H new ATOM 0 HG2 MET A 81 19.087 -17.475 23.601 1.00 33.97 H new ATOM 0 HG3 MET A 81 18.507 -18.922 23.654 1.00 33.97 H new ATOM 0 HE1 MET A 81 18.433 -19.492 20.204 1.00 34.95 H new ATOM 0 HE2 MET A 81 19.713 -18.762 20.783 1.00 34.95 H new ATOM 0 HE3 MET A 81 18.971 -19.864 21.646 1.00 34.95 H new ATOM 645 N GLN A 82 15.457 -17.497 27.074 1.00 42.11 N ATOM 646 CA GLN A 82 14.575 -16.782 27.995 1.00 45.68 C ATOM 647 C GLN A 82 15.185 -16.874 29.390 1.00 48.35 C ATOM 648 O GLN A 82 15.101 -15.936 30.183 1.00 48.13 O ATOM 649 CB GLN A 82 13.181 -17.402 27.987 1.00 44.33 C ATOM 0 H GLN A 82 15.107 -18.188 26.701 1.00 42.11 H new ATOM 0 HA GLN A 82 14.488 -15.855 27.724 1.00 45.68 H new ATOM 650 N GLU A 83 15.808 -18.016 29.673 1.00 51.77 N ATOM 651 CA GLU A 83 16.457 -18.262 30.955 1.00 54.61 C ATOM 652 C GLU A 83 17.611 -17.300 31.240 1.00 55.53 C ATOM 653 O GLU A 83 17.552 -16.510 32.182 1.00 57.15 O ATOM 654 CB GLU A 83 17.008 -19.690 31.006 1.00 56.44 C ATOM 655 CG GLU A 83 15.979 -20.786 31.190 1.00 60.19 C ATOM 656 CD GLU A 83 16.598 -22.174 31.083 1.00 63.44 C ATOM 657 OE1 GLU A 83 17.619 -22.429 31.758 1.00 63.96 O ATOM 658 OE2 GLU A 83 16.063 -23.014 30.326 1.00 66.51 O ATOM 0 H GLU A 83 15.865 -18.673 29.121 1.00 51.77 H new ATOM 0 HA GLU A 83 15.773 -18.124 31.629 1.00 54.61 H new ATOM 0 HB2 GLU A 83 17.494 -19.861 30.184 1.00 56.44 H new ATOM 0 HB3 GLU A 83 17.649 -19.746 31.732 1.00 56.44 H new ATOM 0 HG2 GLU A 83 15.555 -20.688 32.057 1.00 60.19 H new ATOM 0 HG3 GLU A 83 15.283 -20.691 30.521 1.00 60.19 H new ATOM 659 N ARG A 84 18.653 -17.373 30.414 1.00 55.23 N ATOM 660 CA ARG A 84 19.852 -16.562 30.585 1.00 54.63 C ATOM 661 C ARG A 84 19.663 -15.168 29.996 1.00 54.39 C ATOM 662 O ARG A 84 20.584 -14.601 29.409 1.00 53.94 O ATOM 663 CB ARG A 84 21.052 -17.249 29.951 1.00 53.85 C ATOM 0 H ARG A 84 18.682 -17.899 29.734 1.00 55.23 H new ATOM 0 HA ARG A 84 20.015 -16.465 31.536 1.00 54.63 H new ATOM 664 N ASN A 85 18.463 -14.620 30.158 1.00 55.17 N ATOM 665 CA ASN A 85 18.266 -13.176 30.110 1.00 55.63 C ATOM 666 C ASN A 85 18.497 -12.636 28.703 1.00 55.76 C ATOM 667 O ASN A 85 19.173 -11.624 28.519 1.00 56.78 O ATOM 668 CB ASN A 85 19.184 -12.482 31.104 1.00 56.19 C ATOM 0 H ASN A 85 17.745 -15.072 30.298 1.00 55.17 H new ATOM 0 HA ASN A 85 17.346 -12.990 30.354 1.00 55.63 H new ATOM 669 N ASN A 86 17.930 -13.317 27.712 1.00 53.89 N ATOM 670 CA ASN A 86 18.318 -13.112 26.322 1.00 51.88 C ATOM 671 C ASN A 86 17.211 -13.506 25.350 1.00 50.84 C ATOM 672 O ASN A 86 17.445 -13.645 24.150 1.00 48.80 O ATOM 673 CB ASN A 86 19.598 -13.888 26.002 1.00 53.12 C ATOM 674 CG ASN A 86 20.343 -13.318 24.812 1.00 54.98 C ATOM 675 OD1 ASN A 86 20.607 -12.118 24.747 1.00 54.42 O ATOM 676 ND2 ASN A 86 20.686 -14.179 23.861 1.00 58.28 N ATOM 0 H ASN A 86 17.314 -13.906 27.826 1.00 53.89 H new ATOM 0 HA ASN A 86 18.481 -12.162 26.210 1.00 51.88 H new ATOM 0 HB2 ASN A 86 20.180 -13.879 26.778 1.00 53.12 H new ATOM 0 HB3 ASN A 86 19.374 -14.815 25.825 1.00 53.12 H new ATOM 0 HD21 ASN A 86 21.110 -13.904 23.165 1.00 58.28 H new ATOM 0 HD22 ASN A 86 20.484 -15.011 23.941 1.00 58.28 H new ATOM 677 N ALA A 87 15.981 -13.525 25.862 1.00 42.14 N ATOM 678 CA ALA A 87 14.822 -13.782 25.020 1.00 40.99 C ATOM 679 C ALA A 87 14.833 -12.569 24.082 1.00 40.87 C ATOM 680 O ALA A 87 15.044 -11.438 24.526 1.00 41.50 O ATOM 681 CB ALA A 87 13.551 -13.791 25.858 1.00 41.36 C ATOM 0 H ALA A 87 15.800 -13.392 26.692 1.00 42.14 H new ATOM 0 HA ALA A 87 14.850 -14.636 24.561 1.00 40.99 H new ATOM 0 HB1 ALA A 87 12.787 -13.963 25.286 1.00 41.36 H new ATOM 0 HB2 ALA A 87 13.613 -14.486 26.532 1.00 41.36 H new ATOM 0 HB3 ALA A 87 13.443 -12.930 26.291 1.00 41.36 H new ATOM 682 N GLY A 88 14.621 -12.790 22.792 1.00 39.77 N ATOM 683 CA GLY A 88 14.658 -11.668 21.868 1.00 39.18 C ATOM 684 C GLY A 88 15.887 -11.770 20.983 1.00 36.61 C ATOM 685 O GLY A 88 15.997 -11.088 19.968 1.00 36.72 O ATOM 0 H GLY A 88 14.459 -13.557 22.439 1.00 39.77 H new ATOM 0 HA2 GLY A 88 13.856 -11.661 21.322 1.00 39.18 H new ATOM 0 HA3 GLY A 88 14.673 -10.833 22.361 1.00 39.18 H new ATOM 686 N PHE A 89 16.823 -12.624 21.385 1.00 34.38 N ATOM 687 CA PHE A 89 18.030 -12.849 20.611 1.00 31.29 C ATOM 688 C PHE A 89 17.592 -13.553 19.325 1.00 29.95 C ATOM 689 O PHE A 89 18.074 -13.254 18.233 1.00 27.59 O ATOM 690 CB PHE A 89 18.990 -13.758 21.382 1.00 31.94 C ATOM 691 CG PHE A 89 20.241 -14.108 20.626 1.00 34.49 C ATOM 692 CD1 PHE A 89 20.829 -15.360 20.777 1.00 36.26 C ATOM 693 CD2 PHE A 89 20.851 -13.179 19.785 1.00 35.89 C ATOM 694 CE1 PHE A 89 22.005 -15.680 20.105 1.00 36.90 C ATOM 695 CE2 PHE A 89 22.027 -13.492 19.111 1.00 35.82 C ATOM 696 CZ PHE A 89 22.602 -14.739 19.270 1.00 37.34 C ATOM 0 H PHE A 89 16.774 -13.085 22.110 1.00 34.38 H new ATOM 0 HA PHE A 89 18.486 -12.013 20.428 1.00 31.29 H new ATOM 0 HB2 PHE A 89 19.237 -13.322 22.213 1.00 31.94 H new ATOM 0 HB3 PHE A 89 18.526 -14.577 21.618 1.00 31.94 H new ATOM 0 HD1 PHE A 89 20.432 -15.990 21.333 1.00 36.26 H new ATOM 0 HD2 PHE A 89 20.467 -12.339 19.673 1.00 35.89 H new ATOM 0 HE1 PHE A 89 22.391 -16.519 20.213 1.00 36.90 H new ATOM 0 HE2 PHE A 89 22.426 -12.863 18.554 1.00 35.82 H new ATOM 0 HZ PHE A 89 23.388 -14.950 18.819 1.00 37.34 H new ATOM 697 N LEU A 90 16.663 -14.491 19.481 1.00 26.85 N ATOM 698 CA LEU A 90 16.148 -15.272 18.365 1.00 25.43 C ATOM 699 C LEU A 90 14.649 -15.090 18.130 1.00 26.86 C ATOM 700 O LEU A 90 13.833 -15.222 19.048 1.00 24.46 O ATOM 701 CB LEU A 90 16.440 -16.759 18.607 1.00 24.21 C ATOM 702 CG LEU A 90 15.776 -17.796 17.693 1.00 26.04 C ATOM 703 CD1 LEU A 90 16.364 -17.699 16.269 1.00 22.98 C ATOM 704 CD2 LEU A 90 16.000 -19.202 18.276 1.00 26.60 C ATOM 0 H LEU A 90 16.313 -14.692 20.240 1.00 26.85 H new ATOM 0 HA LEU A 90 16.599 -14.948 17.570 1.00 25.43 H new ATOM 0 HB2 LEU A 90 17.400 -16.884 18.546 1.00 24.21 H new ATOM 0 HB3 LEU A 90 16.185 -16.965 19.520 1.00 24.21 H new ATOM 0 HG LEU A 90 14.823 -17.622 17.641 1.00 26.04 H new ATOM 0 HD11 LEU A 90 15.939 -18.358 15.698 1.00 22.98 H new ATOM 0 HD12 LEU A 90 16.204 -16.811 15.913 1.00 22.98 H new ATOM 0 HD13 LEU A 90 17.319 -17.867 16.301 1.00 22.98 H new ATOM 0 HD21 LEU A 90 15.581 -19.861 17.701 1.00 26.60 H new ATOM 0 HD22 LEU A 90 16.952 -19.381 18.333 1.00 26.60 H new ATOM 0 HD23 LEU A 90 15.608 -19.251 19.162 1.00 26.60 H new ATOM 705 N SER A 91 14.288 -14.771 16.894 1.00 25.97 N ATOM 706 CA SER A 91 12.882 -14.650 16.534 1.00 26.36 C ATOM 707 C SER A 91 12.755 -15.627 15.381 1.00 26.59 C ATOM 708 O SER A 91 13.572 -15.603 14.463 1.00 25.62 O ATOM 709 CB SER A 91 12.536 -13.237 16.066 1.00 25.62 C ATOM 710 OG SER A 91 12.596 -12.329 17.148 1.00 31.40 O ATOM 0 H SER A 91 14.839 -14.621 16.251 1.00 25.97 H new ATOM 0 HA SER A 91 12.287 -14.829 17.278 1.00 26.36 H new ATOM 0 HB2 SER A 91 13.153 -12.961 15.370 1.00 25.62 H new ATOM 0 HB3 SER A 91 11.647 -13.228 15.678 1.00 25.62 H new ATOM 0 HG SER A 91 12.050 -11.704 17.020 1.00 31.40 H new ATOM 711 N TYR A 92 11.770 -16.512 15.438 1.00 24.99 N ATOM 712 CA TYR A 92 11.605 -17.463 14.354 1.00 25.53 C ATOM 713 C TYR A 92 10.167 -17.528 13.871 1.00 26.89 C ATOM 714 O TYR A 92 9.223 -17.363 14.652 1.00 23.98 O ATOM 715 CB TYR A 92 12.100 -18.859 14.766 1.00 24.87 C ATOM 716 CG TYR A 92 11.364 -19.523 15.918 1.00 24.80 C ATOM 717 CD1 TYR A 92 11.878 -19.483 17.222 1.00 26.53 C ATOM 718 CD2 TYR A 92 10.172 -20.221 15.699 1.00 26.84 C ATOM 719 CE1 TYR A 92 11.223 -20.134 18.286 1.00 25.38 C ATOM 720 CE2 TYR A 92 9.502 -20.870 16.751 1.00 25.24 C ATOM 721 CZ TYR A 92 10.034 -20.824 18.036 1.00 27.73 C ATOM 722 OH TYR A 92 9.390 -21.472 19.066 1.00 27.78 O ATOM 0 H TYR A 92 11.200 -16.578 16.079 1.00 24.99 H new ATOM 0 HA TYR A 92 12.148 -17.149 13.614 1.00 25.53 H new ATOM 0 HB2 TYR A 92 12.044 -19.442 13.993 1.00 24.87 H new ATOM 0 HB3 TYR A 92 13.038 -18.791 15.003 1.00 24.87 H new ATOM 0 HD1 TYR A 92 12.666 -19.018 17.388 1.00 26.53 H new ATOM 0 HD2 TYR A 92 9.816 -20.257 14.841 1.00 26.84 H new ATOM 0 HE1 TYR A 92 11.578 -20.105 19.145 1.00 25.38 H new ATOM 0 HE2 TYR A 92 8.708 -21.327 16.589 1.00 25.24 H new ATOM 0 HH TYR A 92 9.743 -21.257 19.797 1.00 27.78 H new ATOM 723 N ASN A 93 10.018 -17.730 12.568 1.00 24.98 N ATOM 724 CA ASN A 93 8.713 -17.839 11.942 1.00 26.10 C ATOM 725 C ASN A 93 8.712 -19.168 11.212 1.00 26.51 C ATOM 726 O ASN A 93 9.636 -19.464 10.451 1.00 27.62 O ATOM 727 CB ASN A 93 8.504 -16.708 10.934 1.00 30.52 C ATOM 728 CG ASN A 93 8.663 -15.333 11.556 1.00 34.39 C ATOM 729 OD1 ASN A 93 8.104 -15.050 12.612 1.00 36.28 O ATOM 730 ND2 ASN A 93 9.420 -14.469 10.894 1.00 39.09 N ATOM 0 H ASN A 93 10.677 -17.808 12.021 1.00 24.98 H new ATOM 0 HA ASN A 93 8.004 -17.781 12.602 1.00 26.10 H new ATOM 0 HB2 ASN A 93 9.139 -16.806 10.207 1.00 30.52 H new ATOM 0 HB3 ASN A 93 7.617 -16.784 10.548 1.00 30.52 H new ATOM 0 HD21 ASN A 93 9.535 -13.674 11.202 1.00 39.09 H new ATOM 0 HD22 ASN A 93 9.796 -14.703 10.157 1.00 39.09 H new ATOM 731 N ILE A 94 7.690 -19.973 11.453 1.00 23.79 N ATOM 732 CA ILE A 94 7.591 -21.263 10.801 1.00 25.41 C ATOM 733 C ILE A 94 6.445 -21.198 9.805 1.00 25.77 C ATOM 734 O ILE A 94 5.337 -20.794 10.153 1.00 26.31 O ATOM 735 CB ILE A 94 7.321 -22.389 11.823 1.00 25.05 C ATOM 736 CG1 ILE A 94 8.415 -22.381 12.894 1.00 27.21 C ATOM 737 CG2 ILE A 94 7.261 -23.737 11.112 1.00 26.12 C ATOM 738 CD1 ILE A 94 8.210 -23.401 14.016 1.00 26.91 C ATOM 0 H ILE A 94 7.044 -19.790 11.991 1.00 23.79 H new ATOM 0 HA ILE A 94 8.430 -21.462 10.356 1.00 25.41 H new ATOM 0 HB ILE A 94 6.465 -22.238 12.254 1.00 25.05 H new ATOM 0 HG12 ILE A 94 9.270 -22.552 12.469 1.00 27.21 H new ATOM 0 HG13 ILE A 94 8.464 -21.494 13.283 1.00 27.21 H new ATOM 0 HG21 ILE A 94 7.091 -24.438 11.761 1.00 26.12 H new ATOM 0 HG22 ILE A 94 6.547 -23.725 10.455 1.00 26.12 H new ATOM 0 HG23 ILE A 94 8.106 -23.906 10.667 1.00 26.12 H new ATOM 0 HD11 ILE A 94 8.940 -23.335 14.651 1.00 26.91 H new ATOM 0 HD12 ILE A 94 7.371 -23.221 14.468 1.00 26.91 H new ATOM 0 HD13 ILE A 94 8.189 -24.295 13.641 1.00 26.91 H new ATOM 739 N TYR A 95 6.730 -21.574 8.563 1.00 24.60 N ATOM 740 CA TYR A 95 5.728 -21.577 7.506 1.00 26.30 C ATOM 741 C TYR A 95 5.475 -22.983 7.002 1.00 27.24 C ATOM 742 O TYR A 95 6.392 -23.630 6.497 1.00 26.94 O ATOM 743 CB TYR A 95 6.186 -20.703 6.340 1.00 26.99 C ATOM 744 CG TYR A 95 6.276 -19.239 6.690 1.00 29.57 C ATOM 745 CD1 TYR A 95 7.404 -18.717 7.324 1.00 31.33 C ATOM 746 CD2 TYR A 95 5.214 -18.376 6.414 1.00 32.00 C ATOM 747 CE1 TYR A 95 7.471 -17.365 7.673 1.00 32.86 C ATOM 748 CE2 TYR A 95 5.268 -17.033 6.759 1.00 33.56 C ATOM 749 CZ TYR A 95 6.395 -16.533 7.384 1.00 35.20 C ATOM 750 OH TYR A 95 6.446 -15.197 7.701 1.00 40.33 O ATOM 0 H TYR A 95 7.510 -21.834 8.310 1.00 24.60 H new ATOM 0 HA TYR A 95 4.905 -21.222 7.877 1.00 26.30 H new ATOM 0 HB2 TYR A 95 7.054 -21.010 6.036 1.00 26.99 H new ATOM 0 HB3 TYR A 95 5.570 -20.815 5.599 1.00 26.99 H new ATOM 0 HD1 TYR A 95 8.121 -19.276 7.517 1.00 31.33 H new ATOM 0 HD2 TYR A 95 4.455 -18.708 5.991 1.00 32.00 H new ATOM 0 HE1 TYR A 95 8.227 -17.025 8.094 1.00 32.86 H new ATOM 0 HE2 TYR A 95 4.550 -16.473 6.571 1.00 33.56 H new ATOM 0 HH TYR A 95 5.730 -14.826 7.467 1.00 40.33 H new ATOM 751 N LEU A 96 4.239 -23.460 7.156 1.00 26.21 N ATOM 752 CA LEU A 96 3.865 -24.789 6.683 1.00 28.81 C ATOM 753 C LEU A 96 3.385 -24.564 5.246 1.00 31.22 C ATOM 754 O LEU A 96 2.280 -24.073 5.005 1.00 32.46 O ATOM 755 CB LEU A 96 2.751 -25.377 7.558 1.00 28.45 C ATOM 756 CG LEU A 96 3.116 -25.589 9.035 1.00 29.61 C ATOM 757 CD1 LEU A 96 1.893 -26.072 9.820 1.00 30.72 C ATOM 758 CD2 LEU A 96 4.246 -26.599 9.139 1.00 31.13 C ATOM 0 H LEU A 96 3.601 -23.025 7.534 1.00 26.21 H new ATOM 0 HA LEU A 96 4.600 -25.421 6.724 1.00 28.81 H new ATOM 0 HB2 LEU A 96 1.980 -24.790 7.512 1.00 28.45 H new ATOM 0 HB3 LEU A 96 2.481 -26.229 7.182 1.00 28.45 H new ATOM 0 HG LEU A 96 3.409 -24.746 9.416 1.00 29.61 H new ATOM 0 HD11 LEU A 96 2.136 -26.202 10.750 1.00 30.72 H new ATOM 0 HD12 LEU A 96 1.187 -25.409 9.760 1.00 30.72 H new ATOM 0 HD13 LEU A 96 1.580 -26.911 9.448 1.00 30.72 H new ATOM 0 HD21 LEU A 96 4.476 -26.732 10.072 1.00 31.13 H new ATOM 0 HD22 LEU A 96 3.963 -27.442 8.752 1.00 31.13 H new ATOM 0 HD23 LEU A 96 5.021 -26.268 8.659 1.00 31.13 H new ATOM 759 N THR A 97 4.247 -24.917 4.303 1.00 30.94 N ATOM 760 CA THR A 97 4.001 -24.707 2.886 1.00 32.85 C ATOM 761 C THR A 97 3.234 -25.812 2.169 1.00 35.68 C ATOM 762 O THR A 97 3.028 -25.729 0.962 1.00 38.21 O ATOM 763 CB THR A 97 5.344 -24.494 2.166 1.00 30.82 C ATOM 764 OG1 THR A 97 6.098 -25.710 2.209 1.00 29.67 O ATOM 765 CG2 THR A 97 6.148 -23.403 2.859 1.00 29.88 C ATOM 0 H THR A 97 5.003 -25.291 4.472 1.00 30.94 H new ATOM 0 HA THR A 97 3.426 -23.927 2.847 1.00 32.85 H new ATOM 0 HB THR A 97 5.169 -24.233 1.248 1.00 30.82 H new ATOM 0 HG1 THR A 97 6.832 -25.599 1.816 1.00 29.67 H new ATOM 0 HG21 THR A 97 6.991 -23.279 2.396 1.00 29.88 H new ATOM 0 HG22 THR A 97 5.646 -22.573 2.845 1.00 29.88 H new ATOM 0 HG23 THR A 97 6.319 -23.661 3.778 1.00 29.88 H new ATOM 766 N GLY A 98 2.809 -26.830 2.910 1.00 37.57 N ATOM 767 CA GLY A 98 2.080 -27.940 2.318 1.00 41.09 C ATOM 768 C GLY A 98 0.829 -27.603 1.516 1.00 43.17 C ATOM 769 O GLY A 98 0.453 -28.358 0.617 1.00 44.56 O ATOM 0 H GLY A 98 2.934 -26.895 3.758 1.00 37.57 H new ATOM 0 HA2 GLY A 98 2.688 -28.423 1.737 1.00 41.09 H new ATOM 0 HA3 GLY A 98 1.826 -28.547 3.031 1.00 41.09 H new ATOM 770 N TRP A 99 0.176 -26.486 1.829 1.00 43.84 N ATOM 771 CA TRP A 99 -1.029 -26.099 1.100 1.00 44.57 C ATOM 772 C TRP A 99 -0.783 -24.889 0.200 1.00 46.65 C ATOM 773 O TRP A 99 -0.187 -23.893 0.621 1.00 48.94 O ATOM 774 CB TRP A 99 -2.183 -25.790 2.071 1.00 42.29 C ATOM 775 CG TRP A 99 -2.766 -26.990 2.803 1.00 38.64 C ATOM 776 CD1 TRP A 99 -2.903 -28.265 2.324 1.00 38.39 C ATOM 777 CD2 TRP A 99 -3.379 -26.986 4.101 1.00 33.68 C ATOM 778 NE1 TRP A 99 -3.569 -29.050 3.241 1.00 35.89 N ATOM 779 CE2 TRP A 99 -3.872 -28.290 4.339 1.00 33.78 C ATOM 780 CE3 TRP A 99 -3.562 -26.005 5.085 1.00 32.23 C ATOM 781 CZ2 TRP A 99 -4.537 -28.638 5.522 1.00 32.77 C ATOM 782 CZ3 TRP A 99 -4.223 -26.353 6.263 1.00 30.03 C ATOM 783 CH2 TRP A 99 -4.701 -27.658 6.469 1.00 32.03 C ATOM 0 H TRP A 99 0.411 -25.944 2.454 1.00 43.84 H new ATOM 0 HA TRP A 99 -1.274 -26.852 0.540 1.00 44.57 H new ATOM 0 HB2 TRP A 99 -1.868 -25.152 2.730 1.00 42.29 H new ATOM 0 HB3 TRP A 99 -2.895 -25.357 1.574 1.00 42.29 H new ATOM 0 HD1 TRP A 99 -2.592 -28.559 1.499 1.00 38.39 H new ATOM 0 HE1 TRP A 99 -3.763 -29.882 3.140 1.00 35.89 H new ATOM 0 HE3 TRP A 99 -3.249 -25.139 4.955 1.00 32.23 H new ATOM 0 HZ2 TRP A 99 -4.855 -29.501 5.660 1.00 32.77 H new ATOM 0 HZ3 TRP A 99 -4.349 -25.710 6.923 1.00 30.03 H new ATOM 0 HH2 TRP A 99 -5.138 -27.862 7.264 1.00 32.03 H new ATOM 784 N GLN A 123 6.452 -15.746 17.925 1.00 53.72 N ATOM 785 CA GLN A 123 7.029 -16.895 17.232 1.00 54.42 C ATOM 786 C GLN A 123 5.898 -17.819 16.785 1.00 54.21 C ATOM 787 O GLN A 123 5.938 -19.027 17.036 1.00 55.35 O ATOM 788 CB GLN A 123 7.965 -17.667 18.169 1.00 53.11 C ATOM 789 CG GLN A 123 8.884 -16.796 19.019 1.00 52.73 C ATOM 790 CD GLN A 123 10.052 -16.219 18.242 1.00 50.07 C ATOM 791 OE1 GLN A 123 9.873 -15.573 17.214 1.00 48.21 O ATOM 792 NE2 GLN A 123 11.258 -16.445 18.742 1.00 52.55 N ATOM 0 HA GLN A 123 7.536 -16.584 16.466 1.00 54.42 H new ATOM 0 HB2 GLN A 123 7.428 -18.219 18.759 1.00 53.11 H new ATOM 0 HB3 GLN A 123 8.511 -18.267 17.637 1.00 53.11 H new ATOM 0 HG2 GLN A 123 8.368 -16.069 19.402 1.00 52.73 H new ATOM 0 HG3 GLN A 123 9.225 -17.322 19.759 1.00 52.73 H new ATOM 0 HE21 GLN A 123 11.345 -16.902 19.465 1.00 52.55 H new ATOM 0 HE22 GLN A 123 11.954 -16.134 18.343 1.00 52.55 H new ATOM 793 N LYS A 124 4.888 -17.252 16.132 1.00 53.22 N ATOM 794 CA LYS A 124 3.744 -18.036 15.671 1.00 50.57 C ATOM 795 C LYS A 124 4.065 -18.889 14.444 1.00 47.67 C ATOM 796 O LYS A 124 5.019 -18.619 13.708 1.00 48.42 O ATOM 797 CB LYS A 124 2.561 -17.112 15.371 1.00 50.76 C ATOM 0 H LYS A 124 4.845 -16.414 15.945 1.00 53.22 H new ATOM 0 HA LYS A 124 3.513 -18.647 16.388 1.00 50.57 H new ATOM 798 N THR A 125 3.272 -19.938 14.251 1.00 43.74 N ATOM 799 CA THR A 125 3.435 -20.833 13.115 1.00 38.52 C ATOM 800 C THR A 125 2.335 -20.480 12.125 1.00 36.25 C ATOM 801 O THR A 125 1.162 -20.439 12.484 1.00 34.02 O ATOM 802 CB THR A 125 3.304 -22.307 13.549 1.00 38.14 C ATOM 803 OG1 THR A 125 4.373 -22.629 14.446 1.00 36.73 O ATOM 804 CG2 THR A 125 3.373 -23.235 12.343 1.00 34.83 C ATOM 0 H THR A 125 2.625 -20.150 14.776 1.00 43.74 H new ATOM 0 HA THR A 125 4.315 -20.729 12.721 1.00 38.52 H new ATOM 0 HB THR A 125 2.446 -22.426 13.986 1.00 38.14 H new ATOM 0 HG1 THR A 125 4.305 -23.431 14.687 1.00 36.73 H new ATOM 0 HG21 THR A 125 3.289 -24.155 12.637 1.00 34.83 H new ATOM 0 HG22 THR A 125 2.651 -23.024 11.731 1.00 34.83 H new ATOM 0 HG23 THR A 125 4.224 -23.117 11.892 1.00 34.83 H new ATOM 805 N LEU A 126 2.716 -20.220 10.882 1.00 32.86 N ATOM 806 CA LEU A 126 1.749 -19.839 9.868 1.00 32.72 C ATOM 807 C LEU A 126 1.624 -20.861 8.752 1.00 32.34 C ATOM 808 O LEU A 126 2.553 -21.617 8.495 1.00 29.83 O ATOM 809 CB LEU A 126 2.147 -18.492 9.263 1.00 33.54 C ATOM 810 CG LEU A 126 2.347 -17.326 10.237 1.00 35.43 C ATOM 811 CD1 LEU A 126 2.777 -16.079 9.483 1.00 36.53 C ATOM 812 CD2 LEU A 126 1.062 -17.068 10.990 1.00 37.60 C ATOM 0 H LEU A 126 3.530 -20.259 10.607 1.00 32.86 H new ATOM 0 HA LEU A 126 0.887 -19.783 10.309 1.00 32.72 H new ATOM 0 HB2 LEU A 126 2.971 -18.616 8.767 1.00 33.54 H new ATOM 0 HB3 LEU A 126 1.466 -18.236 8.622 1.00 33.54 H new ATOM 0 HG LEU A 126 3.044 -17.556 10.871 1.00 35.43 H new ATOM 0 HD11 LEU A 126 2.900 -15.348 10.109 1.00 36.53 H new ATOM 0 HD12 LEU A 126 3.612 -16.252 9.020 1.00 36.53 H new ATOM 0 HD13 LEU A 126 2.094 -15.839 8.838 1.00 36.53 H new ATOM 0 HD21 LEU A 126 1.190 -16.330 11.606 1.00 37.60 H new ATOM 0 HD22 LEU A 126 0.358 -16.845 10.361 1.00 37.60 H new ATOM 0 HD23 LEU A 126 0.812 -17.863 11.486 1.00 37.60 H new ATOM 813 N TYR A 127 0.468 -20.877 8.095 1.00 31.76 N ATOM 814 CA TYR A 127 0.240 -21.776 6.969 1.00 32.50 C ATOM 815 C TYR A 127 0.432 -20.947 5.697 1.00 33.17 C ATOM 816 O TYR A 127 -0.104 -19.841 5.584 1.00 34.15 O ATOM 817 CB TYR A 127 -1.177 -22.357 6.999 1.00 31.40 C ATOM 818 CG TYR A 127 -1.438 -23.287 8.159 1.00 28.48 C ATOM 819 CD1 TYR A 127 -1.852 -22.793 9.395 1.00 27.83 C ATOM 820 CD2 TYR A 127 -1.261 -24.659 8.025 1.00 26.23 C ATOM 821 CE1 TYR A 127 -2.088 -23.656 10.475 1.00 29.87 C ATOM 822 CE2 TYR A 127 -1.488 -25.529 9.094 1.00 27.87 C ATOM 823 CZ TYR A 127 -1.904 -25.022 10.317 1.00 27.81 C ATOM 824 OH TYR A 127 -2.130 -25.874 11.378 1.00 28.79 O ATOM 0 H TYR A 127 -0.201 -20.372 8.287 1.00 31.76 H new ATOM 0 HA TYR A 127 0.857 -22.523 7.007 1.00 32.50 H new ATOM 0 HB2 TYR A 127 -1.815 -21.627 7.033 1.00 31.40 H new ATOM 0 HB3 TYR A 127 -1.337 -22.836 6.171 1.00 31.40 H new ATOM 0 HD1 TYR A 127 -1.974 -21.878 9.505 1.00 27.83 H new ATOM 0 HD2 TYR A 127 -0.986 -25.005 7.207 1.00 26.23 H new ATOM 0 HE1 TYR A 127 -2.367 -23.314 11.294 1.00 29.87 H new ATOM 0 HE2 TYR A 127 -1.361 -26.444 8.987 1.00 27.87 H new ATOM 0 HH TYR A 127 -1.981 -26.665 11.139 1.00 28.79 H new ATOM 825 N GLY A 128 1.194 -21.476 4.746 1.00 33.19 N ATOM 826 CA GLY A 128 1.446 -20.739 3.520 1.00 31.86 C ATOM 827 C GLY A 128 2.887 -20.254 3.476 1.00 32.57 C ATOM 828 O GLY A 128 3.713 -20.682 4.280 1.00 33.10 O ATOM 0 H GLY A 128 1.568 -22.249 4.791 1.00 33.19 H new ATOM 0 HA2 GLY A 128 1.266 -21.305 2.753 1.00 31.86 H new ATOM 0 HA3 GLY A 128 0.842 -19.982 3.461 1.00 31.86 H new ATOM 829 N ARG A 129 3.192 -19.363 2.541 1.00 32.30 N ATOM 830 CA ARG A 129 4.545 -18.835 2.395 1.00 31.52 C ATOM 831 C ARG A 129 4.600 -17.370 2.804 1.00 31.26 C ATOM 832 O ARG A 129 3.587 -16.680 2.801 1.00 30.71 O ATOM 833 CB ARG A 129 5.008 -19.031 0.952 1.00 32.43 C ATOM 834 CG ARG A 129 5.248 -20.503 0.626 1.00 32.82 C ATOM 835 CD ARG A 129 5.549 -20.758 -0.838 1.00 34.52 C ATOM 836 NE ARG A 129 6.033 -22.119 -1.038 1.00 35.22 N ATOM 837 CZ ARG A 129 7.294 -22.499 -0.841 1.00 36.80 C ATOM 838 NH1 ARG A 129 8.208 -21.615 -0.441 1.00 37.46 N ATOM 839 NH2 ARG A 129 7.644 -23.763 -1.037 1.00 36.45 N ATOM 0 H ARG A 129 2.626 -19.048 1.976 1.00 32.30 H new ATOM 0 HA ARG A 129 5.146 -19.318 2.983 1.00 31.52 H new ATOM 0 HB2 ARG A 129 4.341 -18.671 0.347 1.00 32.43 H new ATOM 0 HB3 ARG A 129 5.825 -18.530 0.804 1.00 32.43 H new ATOM 0 HG2 ARG A 129 5.988 -20.829 1.162 1.00 32.82 H new ATOM 0 HG3 ARG A 129 4.465 -21.015 0.882 1.00 32.82 H new ATOM 0 HD2 ARG A 129 4.749 -20.614 -1.367 1.00 34.52 H new ATOM 0 HD3 ARG A 129 6.214 -20.125 -1.151 1.00 34.52 H new ATOM 0 HE ARG A 129 5.469 -22.713 -1.299 1.00 35.22 H new ATOM 0 HH11 ARG A 129 7.984 -20.795 -0.309 1.00 37.46 H new ATOM 0 HH12 ARG A 129 9.021 -21.865 -0.315 1.00 37.46 H new ATOM 0 HH21 ARG A 129 7.057 -24.337 -1.291 1.00 36.45 H new ATOM 0 HH22 ARG A 129 8.458 -24.008 -0.910 1.00 36.45 H new ATOM 840 N PRO A 130 5.785 -16.874 3.184 1.00 30.43 N ATOM 841 CA PRO A 130 5.838 -15.467 3.586 1.00 31.14 C ATOM 842 C PRO A 130 5.832 -14.525 2.403 1.00 32.41 C ATOM 843 O PRO A 130 6.081 -14.938 1.273 1.00 33.40 O ATOM 844 CB PRO A 130 7.159 -15.378 4.333 1.00 30.31 C ATOM 845 CG PRO A 130 8.019 -16.315 3.542 1.00 29.09 C ATOM 846 CD PRO A 130 7.105 -17.511 3.338 1.00 29.60 C ATOM 0 HA PRO A 130 5.066 -15.207 4.113 1.00 31.14 H new ATOM 0 HB2 PRO A 130 7.514 -14.475 4.339 1.00 30.31 H new ATOM 0 HB3 PRO A 130 7.074 -15.656 5.259 1.00 30.31 H new ATOM 0 HG2 PRO A 130 8.296 -15.925 2.698 1.00 29.09 H new ATOM 0 HG3 PRO A 130 8.827 -16.556 4.022 1.00 29.09 H new ATOM 0 HD2 PRO A 130 7.352 -18.026 2.554 1.00 29.60 H new ATOM 0 HD3 PRO A 130 7.128 -18.118 4.095 1.00 29.60 H new ATOM 847 N ASN A 131 5.522 -13.264 2.670 1.00 33.89 N ATOM 848 CA ASN A 131 5.583 -12.248 1.635 1.00 36.38 C ATOM 849 C ASN A 131 6.953 -11.646 1.920 1.00 34.49 C ATOM 850 O ASN A 131 7.093 -10.784 2.787 1.00 34.47 O ATOM 851 CB ASN A 131 4.511 -11.178 1.821 1.00 39.47 C ATOM 852 CG ASN A 131 4.574 -10.118 0.741 1.00 42.29 C ATOM 853 OD1 ASN A 131 5.612 -9.487 0.538 1.00 43.14 O ATOM 854 ND2 ASN A 131 3.465 -9.924 0.031 1.00 45.34 N ATOM 0 H ASN A 131 5.275 -12.978 3.442 1.00 33.89 H new ATOM 0 HA ASN A 131 5.447 -12.595 0.740 1.00 36.38 H new ATOM 0 HB2 ASN A 131 3.635 -11.594 1.814 1.00 39.47 H new ATOM 0 HB3 ASN A 131 4.619 -10.760 2.690 1.00 39.47 H new ATOM 0 HD21 ASN A 131 3.455 -9.339 -0.599 1.00 45.34 H new ATOM 0 HD22 ASN A 131 2.759 -10.384 0.202 1.00 45.34 H new ATOM 855 N TRP A 132 7.966 -12.120 1.209 1.00 34.57 N ATOM 856 CA TRP A 132 9.325 -11.647 1.441 1.00 36.12 C ATOM 857 C TRP A 132 9.516 -10.145 1.356 1.00 37.25 C ATOM 858 O TRP A 132 10.284 -9.580 2.131 1.00 37.42 O ATOM 859 CB TRP A 132 10.292 -12.365 0.504 1.00 33.60 C ATOM 860 CG TRP A 132 10.437 -13.802 0.860 1.00 32.29 C ATOM 861 CD1 TRP A 132 10.028 -14.872 0.130 1.00 31.21 C ATOM 862 CD2 TRP A 132 11.047 -14.331 2.045 1.00 30.75 C ATOM 863 NE1 TRP A 132 10.346 -16.038 0.779 1.00 28.95 N ATOM 864 CE2 TRP A 132 10.974 -15.735 1.958 1.00 30.07 C ATOM 865 CE3 TRP A 132 11.647 -13.753 3.166 1.00 31.26 C ATOM 866 CZ2 TRP A 132 11.484 -16.577 2.949 1.00 29.12 C ATOM 867 CZ3 TRP A 132 12.158 -14.592 4.159 1.00 34.26 C ATOM 868 CH2 TRP A 132 12.072 -15.989 4.039 1.00 31.16 C ATOM 0 H TRP A 132 7.890 -12.713 0.590 1.00 34.57 H new ATOM 0 HA TRP A 132 9.518 -11.865 2.366 1.00 36.12 H new ATOM 0 HB2 TRP A 132 9.975 -12.288 -0.410 1.00 33.60 H new ATOM 0 HB3 TRP A 132 11.160 -11.933 0.541 1.00 33.60 H new ATOM 0 HD1 TRP A 132 9.595 -14.821 -0.691 1.00 31.21 H new ATOM 0 HE1 TRP A 132 10.178 -16.831 0.492 1.00 28.95 H new ATOM 0 HE3 TRP A 132 11.705 -12.829 3.250 1.00 31.26 H new ATOM 0 HZ2 TRP A 132 11.427 -17.502 2.872 1.00 29.12 H new ATOM 0 HZ3 TRP A 132 12.561 -14.220 4.910 1.00 34.26 H new ATOM 0 HH2 TRP A 132 12.421 -16.526 4.713 1.00 31.16 H new ATOM 869 N ASP A 133 8.818 -9.492 0.429 1.00 41.48 N ATOM 870 CA ASP A 133 8.934 -8.043 0.304 1.00 42.72 C ATOM 871 C ASP A 133 8.525 -7.438 1.648 1.00 42.07 C ATOM 872 O ASP A 133 9.179 -6.527 2.159 1.00 42.34 O ATOM 873 CB ASP A 133 8.024 -7.520 -0.817 1.00 48.82 C ATOM 874 CG ASP A 133 8.382 -6.101 -1.252 1.00 53.82 C ATOM 875 OD1 ASP A 133 9.486 -5.904 -1.810 1.00 56.42 O ATOM 876 OD2 ASP A 133 7.559 -5.182 -1.032 1.00 56.70 O ATOM 0 H ASP A 133 8.280 -9.864 -0.129 1.00 41.48 H new ATOM 0 HA ASP A 133 9.844 -7.794 0.077 1.00 42.72 H new ATOM 0 HB2 ASP A 133 8.085 -8.114 -1.582 1.00 48.82 H new ATOM 0 HB3 ASP A 133 7.102 -7.539 -0.516 1.00 48.82 H new ATOM 877 N ASN A 134 7.448 -7.958 2.230 1.00 39.64 N ATOM 878 CA ASN A 134 6.984 -7.468 3.525 1.00 37.98 C ATOM 879 C ASN A 134 7.996 -7.763 4.640 1.00 35.67 C ATOM 880 O ASN A 134 8.236 -6.926 5.511 1.00 33.66 O ATOM 881 CB ASN A 134 5.643 -8.116 3.895 1.00 41.45 C ATOM 882 CG ASN A 134 4.494 -7.652 3.007 1.00 45.33 C ATOM 883 OD1 ASN A 134 3.381 -8.176 3.094 1.00 47.86 O ATOM 884 ND2 ASN A 134 4.757 -6.664 2.154 1.00 45.42 N ATOM 0 H ASN A 134 6.974 -8.592 1.894 1.00 39.64 H new ATOM 0 HA ASN A 134 6.879 -6.507 3.443 1.00 37.98 H new ATOM 0 HB2 ASN A 134 5.726 -9.080 3.830 1.00 41.45 H new ATOM 0 HB3 ASN A 134 5.434 -7.911 4.820 1.00 41.45 H new ATOM 0 HD21 ASN A 134 4.138 -6.367 1.636 1.00 45.42 H new ATOM 0 HD22 ASN A 134 5.546 -6.323 2.121 1.00 45.42 H new ATOM 885 N GLU A 135 8.580 -8.959 4.619 1.00 33.64 N ATOM 886 CA GLU A 135 9.544 -9.342 5.653 1.00 32.89 C ATOM 887 C GLU A 135 10.785 -8.456 5.636 1.00 31.34 C ATOM 888 O GLU A 135 11.208 -7.957 6.682 1.00 30.32 O ATOM 889 CB GLU A 135 9.938 -10.819 5.501 1.00 32.07 C ATOM 890 CG GLU A 135 8.750 -11.787 5.593 1.00 35.36 C ATOM 891 CD GLU A 135 8.077 -11.782 6.965 1.00 37.02 C ATOM 892 OE1 GLU A 135 6.838 -11.919 7.014 1.00 40.21 O ATOM 893 OE2 GLU A 135 8.780 -11.656 7.992 1.00 34.69 O ATOM 0 H GLU A 135 8.435 -9.560 4.021 1.00 33.64 H new ATOM 0 HA GLU A 135 9.110 -9.217 6.512 1.00 32.89 H new ATOM 0 HB2 GLU A 135 10.379 -10.941 4.646 1.00 32.07 H new ATOM 0 HB3 GLU A 135 10.584 -11.046 6.188 1.00 32.07 H new ATOM 0 HG2 GLU A 135 8.095 -11.552 4.917 1.00 35.36 H new ATOM 0 HG3 GLU A 135 9.056 -12.685 5.392 1.00 35.36 H new ATOM 894 N PHE A 136 11.375 -8.261 4.460 1.00 32.02 N ATOM 895 CA PHE A 136 12.560 -7.410 4.368 1.00 34.31 C ATOM 896 C PHE A 136 12.256 -5.983 4.828 1.00 34.98 C ATOM 897 O PHE A 136 13.065 -5.364 5.521 1.00 34.71 O ATOM 898 CB PHE A 136 13.119 -7.399 2.935 1.00 33.55 C ATOM 899 CG PHE A 136 13.943 -8.619 2.593 1.00 30.54 C ATOM 900 CD1 PHE A 136 13.333 -9.838 2.332 1.00 28.11 C ATOM 901 CD2 PHE A 136 15.336 -8.550 2.567 1.00 28.76 C ATOM 902 CE1 PHE A 136 14.088 -10.977 2.050 1.00 30.34 C ATOM 903 CE2 PHE A 136 16.102 -9.685 2.285 1.00 31.45 C ATOM 904 CZ PHE A 136 15.474 -10.905 2.025 1.00 27.94 C ATOM 0 H PHE A 136 11.112 -8.604 3.716 1.00 32.02 H new ATOM 0 HA PHE A 136 13.233 -7.783 4.959 1.00 34.31 H new ATOM 0 HB2 PHE A 136 12.381 -7.332 2.309 1.00 33.55 H new ATOM 0 HB3 PHE A 136 13.665 -6.606 2.816 1.00 33.55 H new ATOM 0 HD1 PHE A 136 12.405 -9.897 2.345 1.00 28.11 H new ATOM 0 HD2 PHE A 136 15.760 -7.740 2.739 1.00 28.76 H new ATOM 0 HE1 PHE A 136 13.662 -11.786 1.879 1.00 30.34 H new ATOM 0 HE2 PHE A 136 17.030 -9.628 2.271 1.00 31.45 H new ATOM 0 HZ PHE A 136 15.980 -11.662 1.837 1.00 27.94 H new ATOM 905 N LYS A 137 11.084 -5.465 4.466 1.00 37.20 N ATOM 906 CA LYS A 137 10.718 -4.108 4.866 1.00 37.52 C ATOM 907 C LYS A 137 10.622 -3.986 6.382 1.00 36.85 C ATOM 908 O LYS A 137 11.162 -3.053 6.977 1.00 38.19 O ATOM 909 CB LYS A 137 9.394 -3.689 4.214 1.00 39.99 C ATOM 910 CG LYS A 137 9.461 -3.642 2.701 1.00 44.96 C ATOM 911 CD LYS A 137 8.329 -2.837 2.083 1.00 47.06 C ATOM 912 CE LYS A 137 8.377 -2.933 0.563 1.00 49.56 C ATOM 913 NZ LYS A 137 9.714 -2.567 -0.006 1.00 51.19 N ATOM 0 H LYS A 137 10.494 -5.876 3.995 1.00 37.20 H new ATOM 0 HA LYS A 137 11.418 -3.511 4.559 1.00 37.52 H new ATOM 0 HB2 LYS A 137 8.698 -4.309 4.482 1.00 39.99 H new ATOM 0 HB3 LYS A 137 9.139 -2.815 4.548 1.00 39.99 H new ATOM 0 HG2 LYS A 137 10.310 -3.258 2.431 1.00 44.96 H new ATOM 0 HG3 LYS A 137 9.436 -4.547 2.353 1.00 44.96 H new ATOM 0 HD2 LYS A 137 7.476 -3.166 2.407 1.00 47.06 H new ATOM 0 HD3 LYS A 137 8.397 -1.909 2.357 1.00 47.06 H new ATOM 0 HE2 LYS A 137 8.154 -3.838 0.294 1.00 49.56 H new ATOM 0 HE3 LYS A 137 7.700 -2.350 0.186 1.00 49.56 H new ATOM 0 HZ1 LYS A 137 9.628 -2.385 -0.873 1.00 51.19 H new ATOM 0 HZ2 LYS A 137 10.031 -1.851 0.417 1.00 51.19 H new ATOM 0 HZ3 LYS A 137 10.278 -3.247 0.099 1.00 51.19 H new ATOM 914 N THR A 138 9.939 -4.935 7.009 1.00 36.25 N ATOM 915 CA THR A 138 9.798 -4.935 8.458 1.00 36.28 C ATOM 916 C THR A 138 11.158 -4.983 9.144 1.00 35.22 C ATOM 917 O THR A 138 11.455 -4.163 10.013 1.00 33.36 O ATOM 918 CB THR A 138 8.973 -6.141 8.926 1.00 35.22 C ATOM 919 OG1 THR A 138 7.628 -5.996 8.462 1.00 38.31 O ATOM 920 CG2 THR A 138 8.977 -6.242 10.443 1.00 40.30 C ATOM 0 H THR A 138 9.548 -5.590 6.612 1.00 36.25 H new ATOM 0 HA THR A 138 9.344 -4.113 8.700 1.00 36.28 H new ATOM 0 HB THR A 138 9.367 -6.950 8.563 1.00 35.22 H new ATOM 0 HG1 THR A 138 7.590 -6.195 7.647 1.00 38.31 H new ATOM 0 HG21 THR A 138 8.451 -7.009 10.718 1.00 40.30 H new ATOM 0 HG22 THR A 138 9.888 -6.346 10.758 1.00 40.30 H new ATOM 0 HG23 THR A 138 8.594 -5.435 10.822 1.00 40.30 H new ATOM 921 N ILE A 139 11.980 -5.959 8.764 1.00 34.71 N ATOM 922 CA ILE A 139 13.304 -6.092 9.355 1.00 34.51 C ATOM 923 C ILE A 139 14.111 -4.821 9.110 1.00 35.34 C ATOM 924 O ILE A 139 14.792 -4.322 10.006 1.00 35.60 O ATOM 925 CB ILE A 139 14.061 -7.302 8.757 1.00 34.94 C ATOM 926 CG1 ILE A 139 13.360 -8.602 9.169 1.00 32.89 C ATOM 927 CG2 ILE A 139 15.525 -7.275 9.200 1.00 32.94 C ATOM 928 CD1 ILE A 139 13.901 -9.829 8.492 1.00 36.12 C ATOM 0 H ILE A 139 11.790 -6.550 8.169 1.00 34.71 H new ATOM 0 HA ILE A 139 13.195 -6.235 10.308 1.00 34.51 H new ATOM 0 HB ILE A 139 14.050 -7.253 7.788 1.00 34.94 H new ATOM 0 HG12 ILE A 139 13.441 -8.712 10.129 1.00 32.89 H new ATOM 0 HG13 ILE A 139 12.414 -8.525 8.971 1.00 32.89 H new ATOM 0 HG21 ILE A 139 15.992 -8.036 8.821 1.00 32.94 H new ATOM 0 HG22 ILE A 139 15.941 -6.455 8.892 1.00 32.94 H new ATOM 0 HG23 ILE A 139 15.571 -7.317 10.168 1.00 32.94 H new ATOM 0 HD11 ILE A 139 13.413 -10.610 8.799 1.00 36.12 H new ATOM 0 HD12 ILE A 139 13.798 -9.741 7.531 1.00 36.12 H new ATOM 0 HD13 ILE A 139 14.841 -9.930 8.708 1.00 36.12 H new ATOM 929 N ALA A 140 14.029 -4.300 7.892 1.00 36.59 N ATOM 930 CA ALA A 140 14.750 -3.087 7.537 1.00 38.06 C ATOM 931 C ALA A 140 14.358 -1.934 8.464 1.00 40.18 C ATOM 932 O ALA A 140 15.218 -1.261 9.044 1.00 40.66 O ATOM 933 CB ALA A 140 14.458 -2.714 6.087 1.00 37.76 C ATOM 0 H ALA A 140 13.559 -4.636 7.255 1.00 36.59 H new ATOM 0 HA ALA A 140 15.700 -3.253 7.639 1.00 38.06 H new ATOM 0 HB1 ALA A 140 14.941 -1.905 5.857 1.00 37.76 H new ATOM 0 HB2 ALA A 140 14.740 -3.436 5.504 1.00 37.76 H new ATOM 0 HB3 ALA A 140 13.506 -2.564 5.977 1.00 37.76 H new ATOM 934 N SER A 141 13.055 -1.722 8.623 1.00 40.41 N ATOM 935 CA SER A 141 12.571 -0.631 9.458 1.00 41.14 C ATOM 936 C SER A 141 12.975 -0.772 10.921 1.00 41.15 C ATOM 937 O SER A 141 13.027 0.214 11.651 1.00 41.15 O ATOM 938 CB SER A 141 11.048 -0.521 9.352 1.00 42.30 C ATOM 939 OG SER A 141 10.418 -1.647 9.934 1.00 46.04 O ATOM 0 H SER A 141 12.438 -2.197 8.257 1.00 40.41 H new ATOM 0 HA SER A 141 12.989 0.178 9.124 1.00 41.14 H new ATOM 0 HB2 SER A 141 10.747 0.288 9.795 1.00 42.30 H new ATOM 0 HB3 SER A 141 10.789 -0.447 8.420 1.00 42.30 H new ATOM 0 HG SER A 141 10.912 -2.321 9.846 1.00 46.04 H new ATOM 940 N GLN A 142 13.273 -1.992 11.350 1.00 41.65 N ATOM 941 CA GLN A 142 13.662 -2.220 12.737 1.00 40.87 C ATOM 942 C GLN A 142 15.164 -2.069 12.975 1.00 39.09 C ATOM 943 O GLN A 142 15.608 -1.989 14.119 1.00 36.02 O ATOM 944 CB GLN A 142 13.215 -3.619 13.176 1.00 43.26 C ATOM 945 CG GLN A 142 11.702 -3.816 13.177 1.00 46.68 C ATOM 946 CD GLN A 142 11.286 -5.275 13.331 1.00 49.96 C ATOM 947 OE1 GLN A 142 10.105 -5.576 13.515 1.00 52.94 O ATOM 948 NE2 GLN A 142 12.253 -6.185 13.247 1.00 49.47 N ATOM 0 H GLN A 142 13.257 -2.698 10.859 1.00 41.65 H new ATOM 0 HA GLN A 142 13.221 -1.537 13.266 1.00 40.87 H new ATOM 0 HB2 GLN A 142 13.617 -4.276 12.587 1.00 43.26 H new ATOM 0 HB3 GLN A 142 13.555 -3.792 14.068 1.00 43.26 H new ATOM 0 HG2 GLN A 142 11.315 -3.297 13.899 1.00 46.68 H new ATOM 0 HG3 GLN A 142 11.336 -3.467 12.349 1.00 46.68 H new ATOM 0 HE21 GLN A 142 13.066 -5.937 13.118 1.00 49.47 H new ATOM 0 HE22 GLN A 142 12.065 -7.021 13.322 1.00 49.47 H new ATOM 949 N HIS A 143 15.945 -2.016 11.901 1.00 36.86 N ATOM 950 CA HIS A 143 17.393 -1.915 12.045 1.00 37.60 C ATOM 951 C HIS A 143 18.059 -0.933 11.087 1.00 38.19 C ATOM 952 O HIS A 143 18.801 -1.335 10.190 1.00 39.62 O ATOM 953 CB HIS A 143 18.005 -3.306 11.868 1.00 36.78 C ATOM 954 CG HIS A 143 17.439 -4.327 12.803 1.00 35.31 C ATOM 955 ND1 HIS A 143 17.883 -4.475 14.099 1.00 34.05 N ATOM 956 CD2 HIS A 143 16.415 -5.200 12.654 1.00 34.69 C ATOM 957 CE1 HIS A 143 17.157 -5.395 14.709 1.00 35.70 C ATOM 958 NE2 HIS A 143 16.258 -5.850 13.855 1.00 32.32 N ATOM 0 H HIS A 143 15.661 -2.037 11.089 1.00 36.86 H new ATOM 0 HA HIS A 143 17.557 -1.562 12.934 1.00 37.60 H new ATOM 0 HB2 HIS A 143 17.864 -3.600 10.955 1.00 36.78 H new ATOM 0 HB3 HIS A 143 18.964 -3.250 12.003 1.00 36.78 H new ATOM 0 HD2 HIS A 143 15.912 -5.335 11.883 1.00 34.69 H new ATOM 0 HE1 HIS A 143 17.261 -5.675 15.590 1.00 35.70 H new ATOM 0 HE2 HIS A 143 15.670 -6.455 14.023 1.00 32.32 H new ATOM 959 N PRO A 144 17.803 0.375 11.264 1.00 39.44 N ATOM 960 CA PRO A 144 18.427 1.353 10.367 1.00 38.81 C ATOM 961 C PRO A 144 19.950 1.342 10.527 1.00 38.82 C ATOM 962 O PRO A 144 20.468 0.948 11.569 1.00 38.74 O ATOM 963 CB PRO A 144 17.786 2.676 10.797 1.00 39.93 C ATOM 964 CG PRO A 144 17.506 2.457 12.265 1.00 38.71 C ATOM 965 CD PRO A 144 16.967 1.039 12.282 1.00 39.16 C ATOM 0 HA PRO A 144 18.285 1.174 9.424 1.00 38.81 H new ATOM 0 HB2 PRO A 144 18.382 3.427 10.653 1.00 39.93 H new ATOM 0 HB3 PRO A 144 16.974 2.860 10.300 1.00 39.93 H new ATOM 0 HG2 PRO A 144 18.308 2.546 12.804 1.00 38.71 H new ATOM 0 HG3 PRO A 144 16.861 3.094 12.609 1.00 38.71 H new ATOM 0 HD2 PRO A 144 17.062 0.626 13.154 1.00 39.16 H new ATOM 0 HD3 PRO A 144 16.025 1.007 12.054 1.00 39.16 H new ATOM 966 N ASN A 145 20.661 1.769 9.489 1.00 40.17 N ATOM 967 CA ASN A 145 22.120 1.794 9.518 1.00 40.28 C ATOM 968 C ASN A 145 22.667 0.460 10.034 1.00 39.18 C ATOM 969 O ASN A 145 23.482 0.423 10.956 1.00 38.11 O ATOM 970 CB ASN A 145 22.633 2.934 10.409 1.00 43.33 C ATOM 971 CG ASN A 145 24.135 3.185 10.235 1.00 47.09 C ATOM 972 OD1 ASN A 145 24.772 3.848 11.064 1.00 49.76 O ATOM 973 ND2 ASN A 145 24.702 2.662 9.149 1.00 46.47 N ATOM 0 H ASN A 145 20.315 2.050 8.753 1.00 40.17 H new ATOM 0 HA ASN A 145 22.431 1.941 8.611 1.00 40.28 H new ATOM 0 HB2 ASN A 145 22.146 3.747 10.201 1.00 43.33 H new ATOM 0 HB3 ASN A 145 22.449 2.723 11.338 1.00 43.33 H new ATOM 0 HD21 ASN A 145 25.541 2.780 9.003 1.00 46.47 H new ATOM 0 HD22 ASN A 145 24.229 2.206 8.594 1.00 46.47 H new ATOM 974 N THR A 146 22.212 -0.637 9.444 1.00 35.82 N ATOM 975 CA THR A 146 22.684 -1.941 9.867 1.00 35.14 C ATOM 976 C THR A 146 22.997 -2.830 8.678 1.00 33.81 C ATOM 977 O THR A 146 22.283 -2.825 7.672 1.00 33.63 O ATOM 978 CB THR A 146 21.647 -2.659 10.773 1.00 35.94 C ATOM 979 OG1 THR A 146 21.474 -1.918 11.990 1.00 34.91 O ATOM 980 CG2 THR A 146 22.125 -4.065 11.116 1.00 35.53 C ATOM 0 H THR A 146 21.637 -0.647 8.805 1.00 35.82 H new ATOM 0 HA THR A 146 23.496 -1.787 10.375 1.00 35.14 H new ATOM 0 HB THR A 146 20.805 -2.714 10.294 1.00 35.94 H new ATOM 0 HG1 THR A 146 22.203 -1.560 12.206 1.00 34.91 H new ATOM 0 HG21 THR A 146 21.469 -4.501 11.681 1.00 35.53 H new ATOM 0 HG22 THR A 146 22.239 -4.576 10.300 1.00 35.53 H new ATOM 0 HG23 THR A 146 22.972 -4.013 11.585 1.00 35.53 H new ATOM 981 N ARG A 147 24.081 -3.584 8.799 1.00 31.38 N ATOM 982 CA ARG A 147 24.492 -4.510 7.754 1.00 32.67 C ATOM 983 C ARG A 147 23.919 -5.868 8.165 1.00 31.10 C ATOM 984 O ARG A 147 24.358 -6.468 9.146 1.00 31.09 O ATOM 985 CB ARG A 147 26.019 -4.541 7.673 1.00 33.55 C ATOM 986 CG ARG A 147 26.573 -5.229 6.449 1.00 40.28 C ATOM 987 CD ARG A 147 27.954 -4.683 6.092 1.00 44.07 C ATOM 988 NE ARG A 147 28.601 -5.510 5.079 1.00 49.89 N ATOM 989 CZ ARG A 147 29.205 -6.665 5.340 1.00 52.68 C ATOM 990 NH1 ARG A 147 29.763 -7.364 4.358 1.00 53.99 N ATOM 991 NH2 ARG A 147 29.270 -7.113 6.590 1.00 54.07 N ATOM 0 H ARG A 147 24.598 -3.574 9.487 1.00 31.38 H new ATOM 0 HA ARG A 147 24.171 -4.254 6.875 1.00 32.67 H new ATOM 0 HB2 ARG A 147 26.350 -3.630 7.694 1.00 33.55 H new ATOM 0 HB3 ARG A 147 26.363 -4.986 8.463 1.00 33.55 H new ATOM 0 HG2 ARG A 147 26.631 -6.184 6.609 1.00 40.28 H new ATOM 0 HG3 ARG A 147 25.968 -5.102 5.701 1.00 40.28 H new ATOM 0 HD2 ARG A 147 27.871 -3.773 5.766 1.00 44.07 H new ATOM 0 HD3 ARG A 147 28.507 -4.650 6.888 1.00 44.07 H new ATOM 0 HE ARG A 147 28.591 -5.234 4.265 1.00 49.89 H new ATOM 0 HH11 ARG A 147 29.734 -7.070 3.550 1.00 53.99 H new ATOM 0 HH12 ARG A 147 30.153 -8.111 4.530 1.00 53.99 H new ATOM 0 HH21 ARG A 147 28.921 -6.656 7.229 1.00 54.07 H new ATOM 0 HH22 ARG A 147 29.661 -7.860 6.759 1.00 54.07 H new ATOM 992 N ILE A 148 22.912 -6.318 7.422 1.00 30.73 N ATOM 993 CA ILE A 148 22.214 -7.575 7.689 1.00 30.20 C ATOM 994 C ILE A 148 22.640 -8.726 6.797 1.00 28.94 C ATOM 995 O ILE A 148 22.506 -8.654 5.574 1.00 28.35 O ATOM 996 CB ILE A 148 20.685 -7.396 7.519 1.00 30.60 C ATOM 997 CG1 ILE A 148 20.175 -6.352 8.512 1.00 30.54 C ATOM 998 CG2 ILE A 148 19.965 -8.741 7.710 1.00 30.00 C ATOM 999 CD1 ILE A 148 18.719 -6.000 8.336 1.00 33.66 C ATOM 0 H ILE A 148 22.609 -5.895 6.737 1.00 30.73 H new ATOM 0 HA ILE A 148 22.452 -7.800 8.602 1.00 30.20 H new ATOM 0 HB ILE A 148 20.497 -7.083 6.620 1.00 30.60 H new ATOM 0 HG12 ILE A 148 20.312 -6.682 9.414 1.00 30.54 H new ATOM 0 HG13 ILE A 148 20.707 -5.546 8.421 1.00 30.54 H new ATOM 0 HG21 ILE A 148 19.009 -8.615 7.601 1.00 30.00 H new ATOM 0 HG22 ILE A 148 20.284 -9.376 7.050 1.00 30.00 H new ATOM 0 HG23 ILE A 148 20.146 -9.082 8.600 1.00 30.00 H new ATOM 0 HD11 ILE A 148 18.464 -5.336 8.996 1.00 33.66 H new ATOM 0 HD12 ILE A 148 18.578 -5.642 7.446 1.00 33.66 H new ATOM 0 HD13 ILE A 148 18.177 -6.796 8.453 1.00 33.66 H new ATOM 1000 N GLY A 149 23.137 -9.794 7.414 1.00 27.46 N ATOM 1001 CA GLY A 149 23.549 -10.955 6.648 1.00 26.23 C ATOM 1002 C GLY A 149 22.361 -11.865 6.395 1.00 28.61 C ATOM 1003 O GLY A 149 21.621 -12.204 7.330 1.00 25.49 O ATOM 0 H GLY A 149 23.241 -9.863 8.265 1.00 27.46 H new ATOM 0 HA2 GLY A 149 23.935 -10.673 5.804 1.00 26.23 H new ATOM 0 HA3 GLY A 149 24.239 -11.439 7.128 1.00 26.23 H new ATOM 1004 N VAL A 150 22.173 -12.258 5.136 1.00 25.76 N ATOM 1005 CA VAL A 150 21.077 -13.137 4.749 1.00 26.95 C ATOM 1006 C VAL A 150 21.656 -14.478 4.317 1.00 28.31 C ATOM 1007 O VAL A 150 22.571 -14.527 3.484 1.00 27.84 O ATOM 1008 CB VAL A 150 20.262 -12.540 3.572 1.00 27.21 C ATOM 1009 CG1 VAL A 150 19.107 -13.472 3.211 1.00 27.35 C ATOM 1010 CG2 VAL A 150 19.728 -11.148 3.956 1.00 26.54 C ATOM 0 H VAL A 150 22.680 -12.021 4.483 1.00 25.76 H new ATOM 0 HA VAL A 150 20.483 -13.242 5.509 1.00 26.95 H new ATOM 0 HB VAL A 150 20.841 -12.449 2.799 1.00 27.21 H new ATOM 0 HG11 VAL A 150 18.602 -13.092 2.475 1.00 27.35 H new ATOM 0 HG12 VAL A 150 19.459 -14.337 2.949 1.00 27.35 H new ATOM 0 HG13 VAL A 150 18.525 -13.579 3.980 1.00 27.35 H new ATOM 0 HG21 VAL A 150 19.220 -10.781 3.216 1.00 26.54 H new ATOM 0 HG22 VAL A 150 19.155 -11.225 4.735 1.00 26.54 H new ATOM 0 HG23 VAL A 150 20.472 -10.560 4.159 1.00 26.54 H new ATOM 1011 N PHE A 151 21.131 -15.565 4.880 1.00 27.36 N ATOM 1012 CA PHE A 151 21.628 -16.897 4.546 1.00 27.84 C ATOM 1013 C PHE A 151 20.509 -17.853 4.164 1.00 28.09 C ATOM 1014 O PHE A 151 19.385 -17.750 4.659 1.00 29.03 O ATOM 1015 CB PHE A 151 22.421 -17.486 5.719 1.00 27.63 C ATOM 1016 CG PHE A 151 23.576 -16.630 6.164 1.00 28.77 C ATOM 1017 CD1 PHE A 151 23.355 -15.462 6.890 1.00 26.78 C ATOM 1018 CD2 PHE A 151 24.887 -17.001 5.869 1.00 28.37 C ATOM 1019 CE1 PHE A 151 24.418 -14.678 7.319 1.00 28.61 C ATOM 1020 CE2 PHE A 151 25.961 -16.222 6.296 1.00 29.25 C ATOM 1021 CZ PHE A 151 25.726 -15.059 7.022 1.00 29.98 C ATOM 0 H PHE A 151 20.491 -15.553 5.454 1.00 27.36 H new ATOM 0 HA PHE A 151 22.208 -16.792 3.776 1.00 27.84 H new ATOM 0 HB2 PHE A 151 21.821 -17.620 6.469 1.00 27.63 H new ATOM 0 HB3 PHE A 151 22.756 -18.360 5.465 1.00 27.63 H new ATOM 0 HD1 PHE A 151 22.484 -15.204 7.090 1.00 26.78 H new ATOM 0 HD2 PHE A 151 25.047 -17.777 5.382 1.00 28.37 H new ATOM 0 HE1 PHE A 151 24.258 -13.900 7.803 1.00 28.61 H new ATOM 0 HE2 PHE A 151 26.832 -16.479 6.096 1.00 29.25 H new ATOM 0 HZ PHE A 151 26.440 -14.537 7.309 1.00 29.98 H new ATOM 1022 N LEU A 152 20.827 -18.812 3.305 1.00 27.95 N ATOM 1023 CA LEU A 152 19.820 -19.751 2.849 1.00 29.75 C ATOM 1024 C LEU A 152 20.316 -21.143 2.519 1.00 31.87 C ATOM 1025 O LEU A 152 21.441 -21.328 2.064 1.00 30.80 O ATOM 1026 CB LEU A 152 19.130 -19.184 1.600 1.00 32.40 C ATOM 1027 CG LEU A 152 18.258 -20.150 0.791 1.00 34.09 C ATOM 1028 CD1 LEU A 152 17.005 -20.485 1.587 1.00 36.74 C ATOM 1029 CD2 LEU A 152 17.879 -19.518 -0.540 1.00 37.22 C ATOM 0 H LEU A 152 21.613 -18.934 2.978 1.00 27.95 H new ATOM 0 HA LEU A 152 19.218 -19.853 3.603 1.00 29.75 H new ATOM 0 HB2 LEU A 152 18.577 -18.436 1.874 1.00 32.40 H new ATOM 0 HB3 LEU A 152 19.815 -18.830 1.011 1.00 32.40 H new ATOM 0 HG LEU A 152 18.755 -20.965 0.617 1.00 34.09 H new ATOM 0 HD11 LEU A 152 16.451 -21.097 1.077 1.00 36.74 H new ATOM 0 HD12 LEU A 152 17.256 -20.901 2.427 1.00 36.74 H new ATOM 0 HD13 LEU A 152 16.508 -19.672 1.766 1.00 36.74 H new ATOM 0 HD21 LEU A 152 17.328 -20.135 -1.046 1.00 37.22 H new ATOM 0 HD22 LEU A 152 17.384 -18.699 -0.380 1.00 37.22 H new ATOM 0 HD23 LEU A 152 18.683 -19.316 -1.043 1.00 37.22 H new ATOM 1030 N CYS A 153 19.462 -22.125 2.780 1.00 33.20 N ATOM 1031 CA CYS A 153 19.742 -23.502 2.414 1.00 33.52 C ATOM 1032 C CYS A 153 18.381 -24.012 1.987 1.00 35.08 C ATOM 1033 O CYS A 153 17.530 -24.337 2.823 1.00 33.37 O ATOM 1034 CB CYS A 153 20.279 -24.359 3.562 1.00 32.61 C ATOM 1035 SG CYS A 153 20.801 -26.016 2.956 1.00 34.02 S ATOM 0 H CYS A 153 18.706 -22.010 3.174 1.00 33.20 H new ATOM 0 HA CYS A 153 20.436 -23.550 1.738 1.00 33.52 H new ATOM 0 HB2 CYS A 153 21.031 -23.912 3.980 1.00 32.61 H new ATOM 0 HB3 CYS A 153 19.595 -24.460 4.242 1.00 32.61 H new ATOM 0 HG CYS A 153 21.968 -26.176 3.183 1.00 34.02 H new ATOM 1036 N GLY A 154 18.175 -24.036 0.674 1.00 36.45 N ATOM 1037 CA GLY A 154 16.917 -24.492 0.114 1.00 37.00 C ATOM 1038 C GLY A 154 16.942 -24.356 -1.399 1.00 38.97 C ATOM 1039 O GLY A 154 17.991 -24.044 -1.968 1.00 37.80 O ATOM 0 H GLY A 154 18.757 -23.790 0.091 1.00 36.45 H new ATOM 0 HA2 GLY A 154 16.761 -25.417 0.361 1.00 37.00 H new ATOM 0 HA3 GLY A 154 16.184 -23.973 0.481 1.00 37.00 H new ATOM 1040 N PRO A 155 15.800 -24.575 -2.078 1.00 40.13 N ATOM 1041 CA PRO A 155 15.660 -24.488 -3.539 1.00 40.26 C ATOM 1042 C PRO A 155 16.324 -23.275 -4.179 1.00 41.47 C ATOM 1043 O PRO A 155 16.297 -22.175 -3.628 1.00 41.55 O ATOM 1044 CB PRO A 155 14.150 -24.489 -3.740 1.00 39.75 C ATOM 1045 CG PRO A 155 13.683 -25.397 -2.624 1.00 41.40 C ATOM 1046 CD PRO A 155 14.511 -24.914 -1.445 1.00 38.88 C ATOM 0 HA PRO A 155 16.118 -25.221 -3.979 1.00 40.26 H new ATOM 0 HB2 PRO A 155 13.773 -23.598 -3.665 1.00 39.75 H new ATOM 0 HB3 PRO A 155 13.900 -24.830 -4.613 1.00 39.75 H new ATOM 0 HG2 PRO A 155 12.731 -25.307 -2.459 1.00 41.40 H new ATOM 0 HG3 PRO A 155 13.849 -26.331 -2.824 1.00 41.40 H new ATOM 0 HD2 PRO A 155 14.108 -24.145 -1.012 1.00 38.88 H new ATOM 0 HD3 PRO A 155 14.611 -25.601 -0.768 1.00 38.88 H new ATOM 1047 N GLU A 156 16.909 -23.491 -5.356 1.00 42.96 N ATOM 1048 CA GLU A 156 17.597 -22.439 -6.103 1.00 43.63 C ATOM 1049 C GLU A 156 16.707 -21.236 -6.407 1.00 44.02 C ATOM 1050 O GLU A 156 17.199 -20.117 -6.553 1.00 45.21 O ATOM 1051 CB GLU A 156 18.169 -23.010 -7.407 1.00 44.79 C ATOM 0 H GLU A 156 16.918 -24.257 -5.746 1.00 42.96 H new ATOM 0 HA GLU A 156 18.315 -22.118 -5.535 1.00 43.63 H new ATOM 1052 N ALA A 157 15.400 -21.457 -6.504 1.00 44.21 N ATOM 1053 CA ALA A 157 14.482 -20.357 -6.785 1.00 45.23 C ATOM 1054 C ALA A 157 14.432 -19.391 -5.604 1.00 46.05 C ATOM 1055 O ALA A 157 14.581 -18.177 -5.767 1.00 46.72 O ATOM 1056 CB ALA A 157 13.083 -20.898 -7.077 1.00 46.49 C ATOM 0 H ALA A 157 15.027 -22.227 -6.412 1.00 44.21 H new ATOM 0 HA ALA A 157 14.804 -19.879 -7.565 1.00 45.23 H new ATOM 0 HB1 ALA A 157 12.482 -20.159 -7.262 1.00 46.49 H new ATOM 0 HB2 ALA A 157 13.118 -21.487 -7.847 1.00 46.49 H new ATOM 0 HB3 ALA A 157 12.760 -21.392 -6.307 1.00 46.49 H new ATOM 1057 N LEU A 158 14.219 -19.939 -4.411 1.00 44.11 N ATOM 1058 CA LEU A 158 14.148 -19.135 -3.204 1.00 42.22 C ATOM 1059 C LEU A 158 15.419 -18.291 -3.112 1.00 42.29 C ATOM 1060 O LEU A 158 15.398 -17.168 -2.611 1.00 41.93 O ATOM 1061 CB LEU A 158 13.995 -20.056 -1.986 1.00 40.31 C ATOM 1062 CG LEU A 158 13.790 -19.478 -0.580 1.00 39.26 C ATOM 1063 CD1 LEU A 158 12.662 -18.467 -0.565 1.00 39.53 C ATOM 1064 CD2 LEU A 158 13.492 -20.619 0.371 1.00 38.36 C ATOM 0 H LEU A 158 14.113 -20.783 -4.282 1.00 44.11 H new ATOM 0 HA LEU A 158 13.380 -18.543 -3.226 1.00 42.22 H new ATOM 0 HB2 LEU A 158 13.243 -20.641 -2.165 1.00 40.31 H new ATOM 0 HB3 LEU A 158 14.787 -20.615 -1.951 1.00 40.31 H new ATOM 0 HG LEU A 158 14.596 -19.016 -0.302 1.00 39.26 H new ATOM 0 HD11 LEU A 158 12.553 -18.117 0.333 1.00 39.53 H new ATOM 0 HD12 LEU A 158 12.871 -17.740 -1.172 1.00 39.53 H new ATOM 0 HD13 LEU A 158 11.839 -18.896 -0.847 1.00 39.53 H new ATOM 0 HD21 LEU A 158 13.360 -20.269 1.266 1.00 38.36 H new ATOM 0 HD22 LEU A 158 12.689 -21.080 0.083 1.00 38.36 H new ATOM 0 HD23 LEU A 158 14.237 -21.241 0.374 1.00 38.36 H new ATOM 1065 N ALA A 159 16.526 -18.829 -3.616 1.00 42.21 N ATOM 1066 CA ALA A 159 17.787 -18.096 -3.595 1.00 43.05 C ATOM 1067 C ALA A 159 17.648 -16.843 -4.454 1.00 43.77 C ATOM 1068 O ALA A 159 18.100 -15.763 -4.072 1.00 43.90 O ATOM 1069 CB ALA A 159 18.919 -18.971 -4.116 1.00 43.21 C ATOM 0 H ALA A 159 16.568 -19.611 -3.972 1.00 42.21 H new ATOM 0 HA ALA A 159 17.997 -17.842 -2.683 1.00 43.05 H new ATOM 0 HB1 ALA A 159 19.750 -18.471 -4.096 1.00 43.21 H new ATOM 0 HB2 ALA A 159 19.003 -19.759 -3.557 1.00 43.21 H new ATOM 0 HB3 ALA A 159 18.726 -19.241 -5.027 1.00 43.21 H new ATOM 1070 N GLU A 160 17.010 -16.988 -5.612 1.00 43.56 N ATOM 1071 CA GLU A 160 16.807 -15.858 -6.511 1.00 42.98 C ATOM 1072 C GLU A 160 16.011 -14.772 -5.800 1.00 42.62 C ATOM 1073 O GLU A 160 16.415 -13.610 -5.768 1.00 42.88 O ATOM 1074 CB GLU A 160 16.066 -16.313 -7.770 1.00 44.10 C ATOM 0 H GLU A 160 16.687 -17.733 -5.895 1.00 43.56 H new ATOM 0 HA GLU A 160 17.671 -15.501 -6.770 1.00 42.98 H new ATOM 1075 N THR A 161 14.874 -15.161 -5.230 1.00 42.19 N ATOM 1076 CA THR A 161 14.011 -14.231 -4.517 1.00 41.25 C ATOM 1077 C THR A 161 14.769 -13.484 -3.430 1.00 40.35 C ATOM 1078 O THR A 161 14.749 -12.256 -3.392 1.00 41.97 O ATOM 1079 CB THR A 161 12.811 -14.971 -3.884 1.00 42.21 C ATOM 1080 OG1 THR A 161 12.018 -15.554 -4.923 1.00 44.12 O ATOM 1081 CG2 THR A 161 11.945 -14.016 -3.070 1.00 41.08 C ATOM 0 H THR A 161 14.583 -15.970 -5.247 1.00 42.19 H new ATOM 0 HA THR A 161 13.688 -13.588 -5.168 1.00 41.25 H new ATOM 0 HB THR A 161 13.152 -15.659 -3.291 1.00 42.21 H new ATOM 0 HG1 THR A 161 11.365 -15.959 -4.584 1.00 44.12 H new ATOM 0 HG21 THR A 161 11.200 -14.503 -2.684 1.00 41.08 H new ATOM 0 HG22 THR A 161 12.476 -13.622 -2.360 1.00 41.08 H new ATOM 0 HG23 THR A 161 11.607 -13.314 -3.647 1.00 41.08 H new ATOM 1082 N LEU A 162 15.443 -14.221 -2.550 1.00 39.86 N ATOM 1083 CA LEU A 162 16.188 -13.585 -1.468 1.00 37.64 C ATOM 1084 C LEU A 162 17.239 -12.630 -2.027 1.00 37.93 C ATOM 1085 O LEU A 162 17.407 -11.530 -1.516 1.00 34.63 O ATOM 1086 CB LEU A 162 16.838 -14.643 -0.569 1.00 37.78 C ATOM 1087 CG LEU A 162 15.876 -15.590 0.162 1.00 37.28 C ATOM 1088 CD1 LEU A 162 16.668 -16.559 1.037 1.00 36.67 C ATOM 1089 CD2 LEU A 162 14.897 -14.783 1.005 1.00 36.06 C ATOM 0 H LEU A 162 15.482 -15.080 -2.561 1.00 39.86 H new ATOM 0 HA LEU A 162 15.567 -13.069 -0.930 1.00 37.64 H new ATOM 0 HB2 LEU A 162 17.439 -15.177 -1.111 1.00 37.78 H new ATOM 0 HB3 LEU A 162 17.382 -14.189 0.093 1.00 37.78 H new ATOM 0 HG LEU A 162 15.373 -16.103 -0.489 1.00 37.28 H new ATOM 0 HD11 LEU A 162 16.056 -17.155 1.496 1.00 36.67 H new ATOM 0 HD12 LEU A 162 17.269 -17.079 0.482 1.00 36.67 H new ATOM 0 HD13 LEU A 162 17.183 -16.059 1.690 1.00 36.67 H new ATOM 0 HD21 LEU A 162 14.292 -15.386 1.464 1.00 36.06 H new ATOM 0 HD22 LEU A 162 15.387 -14.259 1.657 1.00 36.06 H new ATOM 0 HD23 LEU A 162 14.388 -14.190 0.431 1.00 36.06 H new ATOM 1090 N SER A 163 17.933 -13.047 -3.086 1.00 41.09 N ATOM 1091 CA SER A 163 18.951 -12.205 -3.718 1.00 43.31 C ATOM 1092 C SER A 163 18.334 -10.886 -4.191 1.00 44.30 C ATOM 1093 O SER A 163 18.820 -9.801 -3.860 1.00 45.34 O ATOM 1094 CB SER A 163 19.572 -12.926 -4.920 1.00 45.95 C ATOM 1095 OG SER A 163 20.231 -14.121 -4.532 1.00 48.87 O ATOM 0 H SER A 163 17.829 -13.817 -3.455 1.00 41.09 H new ATOM 0 HA SER A 163 19.640 -12.022 -3.060 1.00 43.31 H new ATOM 0 HB2 SER A 163 18.879 -13.133 -5.566 1.00 45.95 H new ATOM 0 HB3 SER A 163 20.204 -12.336 -5.361 1.00 45.95 H new ATOM 0 HG SER A 163 19.660 -14.713 -4.360 1.00 48.87 H new ATOM 1096 N LYS A 164 17.259 -10.987 -4.967 1.00 43.86 N ATOM 1097 CA LYS A 164 16.572 -9.807 -5.481 1.00 44.33 C ATOM 1098 C LYS A 164 16.106 -8.897 -4.349 1.00 44.34 C ATOM 1099 O LYS A 164 16.367 -7.691 -4.362 1.00 44.41 O ATOM 1100 CB LYS A 164 15.382 -10.227 -6.337 1.00 46.51 C ATOM 0 H LYS A 164 16.910 -11.735 -5.209 1.00 43.86 H new ATOM 0 HA LYS A 164 17.201 -9.308 -6.026 1.00 44.33 H new ATOM 1101 N GLN A 165 15.414 -9.480 -3.372 1.00 43.75 N ATOM 1102 CA GLN A 165 14.917 -8.725 -2.227 1.00 42.67 C ATOM 1103 C GLN A 165 16.061 -8.064 -1.467 1.00 40.66 C ATOM 1104 O GLN A 165 15.969 -6.900 -1.095 1.00 38.76 O ATOM 1105 CB GLN A 165 14.140 -9.643 -1.280 1.00 43.83 C ATOM 1106 CG GLN A 165 12.866 -10.229 -1.868 1.00 47.66 C ATOM 1107 CD GLN A 165 11.760 -9.201 -2.026 1.00 49.18 C ATOM 1108 OE1 GLN A 165 10.660 -9.526 -2.475 1.00 50.54 O ATOM 1109 NE2 GLN A 165 12.044 -7.955 -1.654 1.00 50.38 N ATOM 0 H GLN A 165 15.221 -10.318 -3.355 1.00 43.75 H new ATOM 0 HA GLN A 165 14.326 -8.033 -2.563 1.00 42.67 H new ATOM 0 HB2 GLN A 165 14.720 -10.371 -1.006 1.00 43.83 H new ATOM 0 HB3 GLN A 165 13.913 -9.144 -0.480 1.00 43.83 H new ATOM 0 HG2 GLN A 165 13.065 -10.619 -2.734 1.00 47.66 H new ATOM 0 HG3 GLN A 165 12.553 -10.949 -1.298 1.00 47.66 H new ATOM 0 HE21 GLN A 165 12.824 -7.766 -1.345 1.00 50.38 H new ATOM 0 HE22 GLN A 165 11.448 -7.339 -1.723 1.00 50.38 H new ATOM 1110 N SER A 166 17.136 -8.811 -1.233 1.00 40.10 N ATOM 1111 CA SER A 166 18.285 -8.276 -0.511 1.00 40.57 C ATOM 1112 C SER A 166 18.770 -6.988 -1.169 1.00 40.74 C ATOM 1113 O SER A 166 18.947 -5.966 -0.507 1.00 40.59 O ATOM 1114 CB SER A 166 19.423 -9.301 -0.484 1.00 41.14 C ATOM 1115 OG SER A 166 19.031 -10.487 0.193 1.00 40.36 O ATOM 0 H SER A 166 17.220 -9.629 -1.484 1.00 40.10 H new ATOM 0 HA SER A 166 18.011 -8.084 0.400 1.00 40.57 H new ATOM 0 HB2 SER A 166 19.689 -9.517 -1.392 1.00 41.14 H new ATOM 0 HB3 SER A 166 20.198 -8.916 -0.045 1.00 41.14 H new ATOM 0 HG SER A 166 18.696 -11.026 -0.357 1.00 40.36 H new ATOM 1116 N ILE A 167 18.978 -7.040 -2.480 1.00 41.29 N ATOM 1117 CA ILE A 167 19.436 -5.872 -3.217 1.00 40.27 C ATOM 1118 C ILE A 167 18.393 -4.756 -3.233 1.00 39.95 C ATOM 1119 O ILE A 167 18.679 -3.630 -2.829 1.00 39.75 O ATOM 1120 CB ILE A 167 19.801 -6.247 -4.666 1.00 41.24 C ATOM 1121 CG1 ILE A 167 20.951 -7.260 -4.654 1.00 41.70 C ATOM 1122 CG2 ILE A 167 20.196 -4.994 -5.444 1.00 41.35 C ATOM 1123 CD1 ILE A 167 21.220 -7.918 -5.993 1.00 43.91 C ATOM 0 H ILE A 167 18.859 -7.743 -2.961 1.00 41.29 H new ATOM 0 HA ILE A 167 20.224 -5.545 -2.756 1.00 40.27 H new ATOM 0 HB ILE A 167 19.033 -6.648 -5.102 1.00 41.24 H new ATOM 0 HG12 ILE A 167 21.759 -6.812 -4.358 1.00 41.70 H new ATOM 0 HG13 ILE A 167 20.753 -7.950 -4.001 1.00 41.70 H new ATOM 0 HG21 ILE A 167 20.424 -5.237 -6.355 1.00 41.35 H new ATOM 0 HG22 ILE A 167 19.453 -4.371 -5.453 1.00 41.35 H new ATOM 0 HG23 ILE A 167 20.962 -4.577 -5.019 1.00 41.35 H new ATOM 0 HD11 ILE A 167 21.957 -8.542 -5.905 1.00 43.91 H new ATOM 0 HD12 ILE A 167 20.427 -8.394 -6.285 1.00 43.91 H new ATOM 0 HD13 ILE A 167 21.448 -7.239 -6.647 1.00 43.91 H new ATOM 1124 N SER A 168 17.181 -5.072 -3.683 1.00 40.86 N ATOM 1125 CA SER A 168 16.111 -4.080 -3.761 1.00 43.18 C ATOM 1126 C SER A 168 15.757 -3.388 -2.446 1.00 43.93 C ATOM 1127 O SER A 168 15.212 -2.282 -2.454 1.00 45.20 O ATOM 1128 CB SER A 168 14.847 -4.709 -4.363 1.00 45.64 C ATOM 1129 OG SER A 168 14.455 -5.875 -3.659 1.00 48.86 O ATOM 0 H SER A 168 16.957 -5.859 -3.949 1.00 40.86 H new ATOM 0 HA SER A 168 16.466 -3.382 -4.334 1.00 43.18 H new ATOM 0 HB2 SER A 168 14.124 -4.062 -4.346 1.00 45.64 H new ATOM 0 HB3 SER A 168 15.008 -4.931 -5.293 1.00 45.64 H new ATOM 0 HG SER A 168 14.965 -6.511 -3.863 1.00 48.86 H new ATOM 1130 N ASN A 169 16.062 -4.018 -1.315 1.00 43.54 N ATOM 1131 CA ASN A 169 15.747 -3.408 -0.031 1.00 42.49 C ATOM 1132 C ASN A 169 16.920 -2.706 0.647 1.00 43.11 C ATOM 1133 O ASN A 169 16.758 -2.113 1.711 1.00 41.61 O ATOM 1134 CB ASN A 169 15.135 -4.442 0.920 1.00 43.30 C ATOM 1135 CG ASN A 169 13.682 -4.751 0.587 1.00 43.53 C ATOM 1136 OD1 ASN A 169 13.383 -5.649 -0.204 1.00 41.91 O ATOM 1137 ND2 ASN A 169 12.770 -3.989 1.182 1.00 43.68 N ATOM 0 H ASN A 169 16.445 -4.787 -1.270 1.00 43.54 H new ATOM 0 HA ASN A 169 15.103 -2.711 -0.232 1.00 42.49 H new ATOM 0 HB2 ASN A 169 15.654 -5.261 0.881 1.00 43.30 H new ATOM 0 HB3 ASN A 169 15.192 -4.113 1.831 1.00 43.30 H new ATOM 0 HD21 ASN A 169 11.934 -4.113 1.021 1.00 43.68 H new ATOM 0 HD22 ASN A 169 13.015 -3.372 1.728 1.00 43.68 H new ATOM 1138 N SER A 170 18.099 -2.767 0.036 1.00 42.96 N ATOM 1139 CA SER A 170 19.266 -2.100 0.606 1.00 44.65 C ATOM 1140 C SER A 170 19.275 -0.639 0.168 1.00 45.97 C ATOM 1141 O SER A 170 18.762 -0.304 -0.896 1.00 45.89 O ATOM 1142 CB SER A 170 20.555 -2.795 0.161 1.00 44.49 C ATOM 1143 OG SER A 170 20.675 -4.068 0.774 1.00 42.75 O ATOM 0 H SER A 170 18.244 -3.185 -0.702 1.00 42.96 H new ATOM 0 HA SER A 170 19.217 -2.147 1.574 1.00 44.65 H new ATOM 0 HB2 SER A 170 20.558 -2.894 -0.804 1.00 44.49 H new ATOM 0 HB3 SER A 170 21.320 -2.246 0.392 1.00 44.49 H new ATOM 0 HG SER A 170 20.153 -4.610 0.400 1.00 42.75 H new ATOM 1144 N GLU A 171 19.864 0.221 0.991 1.00 48.48 N ATOM 1145 CA GLU A 171 19.914 1.650 0.709 1.00 52.42 C ATOM 1146 C GLU A 171 21.319 2.229 0.819 1.00 53.06 C ATOM 1147 O GLU A 171 22.055 1.923 1.757 1.00 53.10 O ATOM 1148 CB GLU A 171 18.979 2.388 1.675 1.00 53.66 C ATOM 1149 CG GLU A 171 19.081 3.916 1.658 1.00 58.22 C ATOM 1150 CD GLU A 171 18.663 4.528 0.333 1.00 59.94 C ATOM 1151 OE1 GLU A 171 17.643 4.077 -0.231 1.00 62.01 O ATOM 1152 OE2 GLU A 171 19.342 5.468 -0.140 1.00 62.39 O ATOM 0 H GLU A 171 20.245 -0.007 1.727 1.00 48.48 H new ATOM 0 HA GLU A 171 19.629 1.772 -0.210 1.00 52.42 H new ATOM 0 HB2 GLU A 171 18.065 2.139 1.468 1.00 53.66 H new ATOM 0 HB3 GLU A 171 19.161 2.078 2.576 1.00 53.66 H new ATOM 0 HG2 GLU A 171 18.525 4.279 2.365 1.00 58.22 H new ATOM 0 HG3 GLU A 171 19.995 4.176 1.854 1.00 58.22 H new ATOM 1153 N SER A 172 21.678 3.075 -0.143 1.00 53.76 N ATOM 1154 CA SER A 172 22.986 3.725 -0.154 1.00 54.96 C ATOM 1155 C SER A 172 22.993 4.927 0.789 1.00 55.42 C ATOM 1156 O SER A 172 24.033 5.555 1.003 1.00 55.48 O ATOM 1157 CB SER A 172 23.337 4.184 -1.570 1.00 54.84 C ATOM 1158 OG SER A 172 23.443 3.075 -2.445 1.00 55.60 O ATOM 0 H SER A 172 21.172 3.288 -0.805 1.00 53.76 H new ATOM 0 HA SER A 172 23.648 3.083 0.147 1.00 54.96 H new ATOM 0 HB2 SER A 172 22.657 4.794 -1.895 1.00 54.84 H new ATOM 0 HB3 SER A 172 24.174 4.673 -1.558 1.00 54.84 H new ATOM 0 HG SER A 172 23.634 3.344 -3.217 1.00 55.60 H new ATOM 1159 N GLY A 173 21.824 5.239 1.343 1.00 55.91 N ATOM 1160 CA GLY A 173 21.698 6.354 2.265 1.00 55.52 C ATOM 1161 C GLY A 173 22.437 6.112 3.570 1.00 56.23 C ATOM 1162 O GLY A 173 22.669 4.961 3.954 1.00 56.44 O ATOM 0 H GLY A 173 21.092 4.813 1.195 1.00 55.91 H new ATOM 0 HA2 GLY A 173 22.042 7.158 1.845 1.00 55.52 H new ATOM 0 HA3 GLY A 173 20.759 6.511 2.452 1.00 55.52 H new ATOM 1163 N PRO A 174 22.806 7.186 4.288 1.00 55.67 N ATOM 1164 CA PRO A 174 23.530 7.133 5.566 1.00 54.55 C ATOM 1165 C PRO A 174 22.848 6.294 6.642 1.00 53.44 C ATOM 1166 O PRO A 174 23.509 5.707 7.498 1.00 54.67 O ATOM 1167 CB PRO A 174 23.640 8.605 5.956 1.00 55.53 C ATOM 1168 CG PRO A 174 22.403 9.206 5.332 1.00 55.30 C ATOM 1169 CD PRO A 174 22.394 8.567 3.979 1.00 55.65 C ATOM 0 HA PRO A 174 24.387 6.688 5.476 1.00 54.55 H new ATOM 0 HB2 PRO A 174 23.652 8.723 6.919 1.00 55.53 H new ATOM 0 HB3 PRO A 174 24.451 9.010 5.611 1.00 55.53 H new ATOM 0 HG2 PRO A 174 21.603 8.996 5.838 1.00 55.30 H new ATOM 0 HG3 PRO A 174 22.458 10.173 5.276 1.00 55.30 H new ATOM 0 HD2 PRO A 174 21.516 8.600 3.568 1.00 55.65 H new ATOM 0 HD3 PRO A 174 23.010 9.001 3.368 1.00 55.65 H new ATOM 1170 N ARG A 175 21.522 6.245 6.600 1.00 51.28 N ATOM 1171 CA ARG A 175 20.761 5.469 7.569 1.00 48.30 C ATOM 1172 C ARG A 175 20.265 4.207 6.884 1.00 47.20 C ATOM 1173 O ARG A 175 19.536 3.397 7.470 1.00 45.48 O ATOM 1174 CB ARG A 175 19.578 6.290 8.087 1.00 47.15 C ATOM 1175 CG ARG A 175 19.969 7.417 9.033 1.00 44.81 C ATOM 1176 CD ARG A 175 18.784 8.327 9.307 1.00 45.17 C ATOM 1177 NE ARG A 175 18.372 9.026 8.093 1.00 45.02 N ATOM 1178 CZ ARG A 175 19.113 9.933 7.461 1.00 44.88 C ATOM 1179 NH1 ARG A 175 20.311 10.265 7.927 1.00 44.11 N ATOM 1180 NH2 ARG A 175 18.662 10.499 6.351 1.00 43.53 N ATOM 0 H ARG A 175 21.043 6.656 6.016 1.00 51.28 H new ATOM 0 HA ARG A 175 21.322 5.237 8.325 1.00 48.30 H new ATOM 0 HB2 ARG A 175 19.102 6.667 7.330 1.00 47.15 H new ATOM 0 HB3 ARG A 175 18.961 5.697 8.544 1.00 47.15 H new ATOM 0 HG2 ARG A 175 20.297 7.046 9.867 1.00 44.81 H new ATOM 0 HG3 ARG A 175 20.695 7.932 8.647 1.00 44.81 H new ATOM 0 HD2 ARG A 175 18.043 7.804 9.651 1.00 45.17 H new ATOM 0 HD3 ARG A 175 19.018 8.972 9.992 1.00 45.17 H new ATOM 0 HE ARG A 175 17.599 8.839 7.765 1.00 45.02 H new ATOM 0 HH11 ARG A 175 20.613 9.893 8.641 1.00 44.11 H new ATOM 0 HH12 ARG A 175 20.785 10.852 7.514 1.00 44.11 H new ATOM 0 HH21 ARG A 175 17.891 10.280 6.039 1.00 43.53 H new ATOM 0 HH22 ARG A 175 19.140 11.085 5.942 1.00 43.53 H new ATOM 1181 N GLY A 176 20.679 4.050 5.632 1.00 44.86 N ATOM 1182 CA GLY A 176 20.273 2.898 4.856 1.00 43.88 C ATOM 1183 C GLY A 176 20.620 1.567 5.493 1.00 42.58 C ATOM 1184 O GLY A 176 21.557 1.454 6.286 1.00 42.67 O ATOM 0 H GLY A 176 21.194 4.600 5.218 1.00 44.86 H new ATOM 0 HA2 GLY A 176 19.314 2.937 4.715 1.00 43.88 H new ATOM 0 HA3 GLY A 176 20.691 2.946 3.982 1.00 43.88 H new ATOM 1185 N VAL A 177 19.840 0.554 5.143 1.00 41.00 N ATOM 1186 CA VAL A 177 20.054 -0.794 5.642 1.00 40.53 C ATOM 1187 C VAL A 177 20.695 -1.571 4.504 1.00 39.08 C ATOM 1188 O VAL A 177 20.429 -1.293 3.338 1.00 39.12 O ATOM 1189 CB VAL A 177 18.723 -1.467 6.032 1.00 37.34 C ATOM 1190 CG1 VAL A 177 18.959 -2.929 6.371 1.00 37.56 C ATOM 1191 CG2 VAL A 177 18.096 -0.732 7.211 1.00 38.06 C ATOM 0 H VAL A 177 19.171 0.630 4.608 1.00 41.00 H new ATOM 0 HA VAL A 177 20.611 -0.775 6.436 1.00 40.53 H new ATOM 0 HB VAL A 177 18.110 -1.423 5.282 1.00 37.34 H new ATOM 0 HG11 VAL A 177 18.117 -3.345 6.615 1.00 37.56 H new ATOM 0 HG12 VAL A 177 19.332 -3.384 5.600 1.00 37.56 H new ATOM 0 HG13 VAL A 177 19.578 -2.993 7.115 1.00 37.56 H new ATOM 0 HG21 VAL A 177 17.259 -1.160 7.451 1.00 38.06 H new ATOM 0 HG22 VAL A 177 18.702 -0.759 7.968 1.00 38.06 H new ATOM 0 HG23 VAL A 177 17.927 0.191 6.965 1.00 38.06 H new ATOM 1192 N HIS A 178 21.553 -2.527 4.842 1.00 38.94 N ATOM 1193 CA HIS A 178 22.226 -3.332 3.831 1.00 39.50 C ATOM 1194 C HIS A 178 21.954 -4.817 4.033 1.00 39.27 C ATOM 1195 O HIS A 178 22.324 -5.377 5.061 1.00 38.88 O ATOM 1196 CB HIS A 178 23.740 -3.096 3.889 1.00 40.97 C ATOM 1197 CG HIS A 178 24.154 -1.695 3.561 1.00 42.42 C ATOM 1198 ND1 HIS A 178 23.991 -1.146 2.307 1.00 42.60 N ATOM 1199 CD2 HIS A 178 24.734 -0.735 4.320 1.00 42.96 C ATOM 1200 CE1 HIS A 178 24.455 0.090 2.306 1.00 43.51 C ATOM 1201 NE2 HIS A 178 24.911 0.364 3.515 1.00 44.70 N ATOM 0 H HIS A 178 21.759 -2.725 5.653 1.00 38.94 H new ATOM 0 HA HIS A 178 21.879 -3.063 2.966 1.00 39.50 H new ATOM 0 HB2 HIS A 178 24.058 -3.317 4.778 1.00 40.97 H new ATOM 0 HB3 HIS A 178 24.176 -3.705 3.272 1.00 40.97 H new ATOM 0 HD1 HIS A 178 23.642 -1.546 1.631 1.00 42.60 H new ATOM 0 HD2 HIS A 178 24.968 -0.806 5.217 1.00 42.96 H new ATOM 0 HE1 HIS A 178 24.460 0.669 1.578 1.00 43.51 H new ATOM 1202 N PHE A 179 21.309 -5.449 3.057 1.00 36.37 N ATOM 1203 CA PHE A 179 21.035 -6.882 3.128 1.00 35.97 C ATOM 1204 C PHE A 179 22.051 -7.611 2.241 1.00 35.07 C ATOM 1205 O PHE A 179 21.960 -7.565 1.017 1.00 33.46 O ATOM 1206 CB PHE A 179 19.616 -7.200 2.648 1.00 34.87 C ATOM 1207 CG PHE A 179 18.528 -6.681 3.555 1.00 36.79 C ATOM 1208 CD1 PHE A 179 17.938 -5.438 3.322 1.00 36.61 C ATOM 1209 CD2 PHE A 179 18.065 -7.451 4.621 1.00 37.11 C ATOM 1210 CE1 PHE A 179 16.899 -4.970 4.128 1.00 36.05 C ATOM 1211 CE2 PHE A 179 17.023 -6.990 5.437 1.00 37.78 C ATOM 1212 CZ PHE A 179 16.440 -5.746 5.185 1.00 36.65 C ATOM 0 H PHE A 179 21.021 -5.066 2.343 1.00 36.37 H new ATOM 0 HA PHE A 179 21.110 -7.174 4.050 1.00 35.97 H new ATOM 0 HB2 PHE A 179 19.493 -6.824 1.763 1.00 34.87 H new ATOM 0 HB3 PHE A 179 19.522 -8.162 2.563 1.00 34.87 H new ATOM 0 HD1 PHE A 179 18.242 -4.912 2.618 1.00 36.61 H new ATOM 0 HD2 PHE A 179 18.452 -8.279 4.792 1.00 37.11 H new ATOM 0 HE1 PHE A 179 16.515 -4.140 3.958 1.00 36.05 H new ATOM 0 HE2 PHE A 179 16.720 -7.511 6.145 1.00 37.78 H new ATOM 0 HZ PHE A 179 15.747 -5.438 5.723 1.00 36.65 H new ATOM 1213 N ILE A 180 23.014 -8.278 2.874 1.00 33.49 N ATOM 1214 CA ILE A 180 24.069 -8.999 2.165 1.00 33.12 C ATOM 1215 C ILE A 180 23.818 -10.504 2.108 1.00 33.59 C ATOM 1216 O ILE A 180 24.027 -11.202 3.105 1.00 31.41 O ATOM 1217 CB ILE A 180 25.442 -8.786 2.854 1.00 32.46 C ATOM 1218 CG1 ILE A 180 25.668 -7.297 3.154 1.00 34.79 C ATOM 1219 CG2 ILE A 180 26.548 -9.332 1.977 1.00 33.41 C ATOM 1220 CD1 ILE A 180 25.569 -6.396 1.938 1.00 35.28 C ATOM 0 H ILE A 180 23.074 -8.325 3.731 1.00 33.49 H new ATOM 0 HA ILE A 180 24.070 -8.640 1.264 1.00 33.12 H new ATOM 0 HB ILE A 180 25.449 -9.266 3.697 1.00 32.46 H new ATOM 0 HG12 ILE A 180 25.017 -7.008 3.812 1.00 34.79 H new ATOM 0 HG13 ILE A 180 26.545 -7.188 3.555 1.00 34.79 H new ATOM 0 HG21 ILE A 180 27.404 -9.196 2.413 1.00 33.41 H new ATOM 0 HG22 ILE A 180 26.407 -10.281 1.831 1.00 33.41 H new ATOM 0 HG23 ILE A 180 26.543 -8.870 1.124 1.00 33.41 H new ATOM 0 HD11 ILE A 180 25.722 -5.476 2.204 1.00 35.28 H new ATOM 0 HD12 ILE A 180 26.236 -6.659 1.285 1.00 35.28 H new ATOM 0 HD13 ILE A 180 24.685 -6.476 1.547 1.00 35.28 H new ATOM 1221 N PHE A 181 23.384 -11.010 0.958 1.00 32.99 N ATOM 1222 CA PHE A 181 23.147 -12.442 0.839 1.00 36.17 C ATOM 1223 C PHE A 181 24.496 -13.171 0.782 1.00 37.47 C ATOM 1224 O PHE A 181 25.298 -12.937 -0.122 1.00 35.67 O ATOM 1225 CB PHE A 181 22.329 -12.754 -0.418 1.00 36.88 C ATOM 1226 CG PHE A 181 21.907 -14.197 -0.528 1.00 40.04 C ATOM 1227 CD1 PHE A 181 20.562 -14.545 -0.513 1.00 41.02 C ATOM 1228 CD2 PHE A 181 22.857 -15.213 -0.643 1.00 42.39 C ATOM 1229 CE1 PHE A 181 20.161 -15.883 -0.611 1.00 40.81 C ATOM 1230 CE2 PHE A 181 22.467 -16.556 -0.742 1.00 42.07 C ATOM 1231 CZ PHE A 181 21.112 -16.887 -0.725 1.00 42.18 C ATOM 0 H PHE A 181 23.224 -10.551 0.248 1.00 32.99 H new ATOM 0 HA PHE A 181 22.642 -12.745 1.610 1.00 36.17 H new ATOM 0 HB2 PHE A 181 21.538 -12.193 -0.426 1.00 36.88 H new ATOM 0 HB3 PHE A 181 22.852 -12.518 -1.200 1.00 36.88 H new ATOM 0 HD1 PHE A 181 19.918 -13.879 -0.437 1.00 41.02 H new ATOM 0 HD2 PHE A 181 23.761 -14.996 -0.654 1.00 42.39 H new ATOM 0 HE1 PHE A 181 19.256 -16.099 -0.600 1.00 40.81 H new ATOM 0 HE2 PHE A 181 23.110 -17.224 -0.819 1.00 42.07 H new ATOM 0 HZ PHE A 181 20.847 -17.776 -0.790 1.00 42.18 H new ATOM 1232 N ASN A 182 24.742 -14.044 1.757 1.00 38.99 N ATOM 1233 CA ASN A 182 25.984 -14.816 1.807 1.00 40.58 C ATOM 1234 C ASN A 182 25.812 -16.222 1.264 1.00 40.90 C ATOM 1235 O ASN A 182 25.011 -17.007 1.775 1.00 41.57 O ATOM 1236 CB ASN A 182 26.513 -14.928 3.236 1.00 42.22 C ATOM 1237 CG ASN A 182 27.178 -13.663 3.713 1.00 42.87 C ATOM 1238 OD1 ASN A 182 28.263 -13.704 4.298 1.00 44.62 O ATOM 1239 ND2 ASN A 182 26.531 -12.528 3.479 1.00 42.85 N ATOM 0 H ASN A 182 24.199 -14.205 2.404 1.00 38.99 H new ATOM 0 HA ASN A 182 26.615 -14.332 1.251 1.00 40.58 H new ATOM 0 HB2 ASN A 182 25.780 -15.147 3.832 1.00 42.22 H new ATOM 0 HB3 ASN A 182 27.147 -15.660 3.285 1.00 42.22 H new ATOM 0 HD21 ASN A 182 26.867 -11.780 3.739 1.00 42.85 H new ATOM 0 HD22 ASN A 182 25.776 -12.540 3.068 1.00 42.85 H new ATOM 1240 N LYS A 183 26.575 -16.535 0.226 1.00 40.77 N ATOM 1241 CA LYS A 183 26.538 -17.855 -0.378 1.00 39.89 C ATOM 1242 C LYS A 183 27.280 -18.778 0.582 1.00 39.09 C ATOM 1243 O LYS A 183 28.303 -18.389 1.138 1.00 38.98 O ATOM 1244 CB LYS A 183 27.262 -17.824 -1.725 1.00 41.07 C ATOM 1245 CG LYS A 183 27.158 -19.106 -2.526 1.00 39.31 C ATOM 1246 CD LYS A 183 25.763 -19.291 -3.071 1.00 41.09 C ATOM 1247 CE LYS A 183 25.753 -20.338 -4.171 1.00 43.64 C ATOM 1248 NZ LYS A 183 26.553 -19.912 -5.359 1.00 45.65 N ATOM 0 H LYS A 183 27.126 -15.990 -0.146 1.00 40.77 H new ATOM 0 HA LYS A 183 25.628 -18.154 -0.530 1.00 39.89 H new ATOM 0 HB2 LYS A 183 26.903 -17.095 -2.255 1.00 41.07 H new ATOM 0 HB3 LYS A 183 28.199 -17.628 -1.571 1.00 41.07 H new ATOM 0 HG2 LYS A 183 27.795 -19.087 -3.257 1.00 39.31 H new ATOM 0 HG3 LYS A 183 27.393 -19.862 -1.965 1.00 39.31 H new ATOM 0 HD2 LYS A 183 25.164 -19.560 -2.357 1.00 41.09 H new ATOM 0 HD3 LYS A 183 25.431 -18.448 -3.417 1.00 41.09 H new ATOM 0 HE2 LYS A 183 26.108 -21.172 -3.825 1.00 43.64 H new ATOM 0 HE3 LYS A 183 24.838 -20.511 -4.443 1.00 43.64 H new ATOM 0 HZ1 LYS A 183 26.045 -19.949 -6.088 1.00 45.65 H new ATOM 0 HZ2 LYS A 183 26.840 -19.078 -5.240 1.00 45.65 H new ATOM 0 HZ3 LYS A 183 27.252 -20.455 -5.457 1.00 45.65 H new ATOM 1249 N GLU A 184 26.755 -19.979 0.801 1.00 39.35 N ATOM 1250 CA GLU A 184 27.405 -20.943 1.691 1.00 39.94 C ATOM 1251 C GLU A 184 27.335 -22.309 1.045 1.00 40.21 C ATOM 1252 O GLU A 184 26.301 -22.692 0.504 1.00 41.63 O ATOM 1253 CB GLU A 184 26.721 -20.988 3.065 1.00 38.77 C ATOM 1254 CG GLU A 184 26.764 -19.671 3.821 1.00 38.83 C ATOM 1255 CD GLU A 184 28.181 -19.199 4.121 1.00 39.96 C ATOM 1256 OE1 GLU A 184 28.330 -18.038 4.557 1.00 39.00 O ATOM 1257 OE2 GLU A 184 29.141 -19.984 3.930 1.00 41.41 O ATOM 0 H GLU A 184 26.023 -20.258 0.445 1.00 39.35 H new ATOM 0 HA GLU A 184 28.326 -20.673 1.829 1.00 39.94 H new ATOM 0 HB2 GLU A 184 25.795 -21.252 2.946 1.00 38.77 H new ATOM 0 HB3 GLU A 184 27.145 -21.674 3.604 1.00 38.77 H new ATOM 0 HG2 GLU A 184 26.306 -18.992 3.302 1.00 38.83 H new ATOM 0 HG3 GLU A 184 26.278 -19.767 4.655 1.00 38.83 H new ATOM 1258 N ASN A 185 28.435 -23.049 1.109 1.00 41.66 N ATOM 1259 CA ASN A 185 28.481 -24.367 0.495 1.00 45.35 C ATOM 1260 C ASN A 185 28.075 -25.490 1.441 1.00 43.66 C ATOM 1261 O ASN A 185 28.912 -26.205 1.993 1.00 43.76 O ATOM 1262 CB ASN A 185 29.878 -24.616 -0.079 1.00 47.66 C ATOM 1263 CG ASN A 185 30.279 -23.561 -1.098 1.00 53.14 C ATOM 1264 OD1 ASN A 185 29.567 -23.325 -2.082 1.00 57.19 O ATOM 1265 ND2 ASN A 185 31.418 -22.913 -0.866 1.00 53.89 N ATOM 0 H ASN A 185 29.161 -22.807 1.501 1.00 41.66 H new ATOM 0 HA ASN A 185 27.824 -24.374 -0.219 1.00 45.35 H new ATOM 0 HB2 ASN A 185 30.525 -24.627 0.644 1.00 47.66 H new ATOM 0 HB3 ASN A 185 29.903 -25.491 -0.496 1.00 47.66 H new ATOM 0 HD21 ASN A 185 31.685 -22.303 -1.411 1.00 53.89 H new ATOM 0 HD22 ASN A 185 31.887 -23.104 -0.171 1.00 53.89 H new ATOM 1266 N PHE A 186 26.769 -25.634 1.628 1.00 44.12 N ATOM 1267 CA PHE A 186 26.236 -26.672 2.490 1.00 43.48 C ATOM 1268 C PHE A 186 26.305 -28.012 1.753 1.00 45.57 C ATOM 1269 O PHE A 186 26.523 -29.050 2.417 1.00 46.42 O ATOM 1270 CB PHE A 186 24.793 -26.332 2.892 1.00 41.33 C ATOM 1271 CG PHE A 186 24.672 -25.076 3.726 1.00 37.46 C ATOM 1272 CD1 PHE A 186 25.351 -24.958 4.938 1.00 37.17 C ATOM 1273 CD2 PHE A 186 23.901 -24.001 3.288 1.00 36.31 C ATOM 1274 CE1 PHE A 186 25.265 -23.783 5.701 1.00 35.87 C ATOM 1275 CE2 PHE A 186 23.808 -22.827 4.040 1.00 34.54 C ATOM 1276 CZ PHE A 186 24.493 -22.719 5.251 1.00 35.35 C ATOM 1277 OXT PHE A 186 26.143 -28.006 0.512 1.00 47.73 O ATOM 0 H PHE A 186 26.173 -25.135 1.260 1.00 44.12 H new ATOM 0 HA PHE A 186 26.762 -26.733 3.303 1.00 43.48 H new ATOM 0 HB2 PHE A 186 24.258 -26.230 2.089 1.00 41.33 H new ATOM 0 HB3 PHE A 186 24.420 -27.077 3.389 1.00 41.33 H new ATOM 0 HD1 PHE A 186 25.868 -25.667 5.245 1.00 37.17 H new ATOM 0 HD2 PHE A 186 23.441 -24.066 2.482 1.00 36.31 H new ATOM 0 HE1 PHE A 186 25.724 -23.717 6.507 1.00 35.87 H new ATOM 0 HE2 PHE A 186 23.290 -22.118 3.734 1.00 34.54 H new ATOM 0 HZ PHE A 186 24.433 -21.939 5.754 1.00 35.35 H new TER 1278 PHE A 186 HETATM 1279 NI NI A 187 25.356 2.226 4.395 1.00 63.44 NI HETATM 1280 NI NI A 188 8.411 -41.133 12.704 1.00110.53 NI HETATM 1281 NI NI A 189 38.134 -20.276 10.741 1.00 39.79 NI HETATM 1282 NI NI A 190 36.104 -31.484 8.883 1.00 46.89 NI HETATM 1283 NI NI A 191 23.747 -0.001 15.076 0.50 56.38 NI HETATM 1284 NI NI A 192 -0.424 -31.168 -2.759 1.00122.95 NI HETATM 1285 NI NI A 193 33.192 -27.579 13.391 1.00 53.65 NI HETATM 1286 O HOH A 194 9.806 -30.638 5.235 1.00 23.04 O HETATM 1287 O HOH A 195 8.635 -18.902 -0.286 1.00 24.98 O HETATM 1288 O HOH A 196 26.993 -27.013 16.535 1.00 25.54 O HETATM 1289 O HOH A 197 10.514 -23.971 -0.546 1.00 33.30 O HETATM 1290 O HOH A 198 33.137 -16.330 14.917 1.00 33.81 O HETATM 1291 O HOH A 199 33.821 -24.947 6.728 1.00 28.89 O HETATM 1292 O HOH A 200 11.825 -28.644 7.044 1.00 33.41 O HETATM 1293 O HOH A 201 22.078 -10.664 -3.185 1.00 42.21 O HETATM 1294 O HOH A 202 20.962 -24.154 -0.661 1.00 32.09 O HETATM 1295 O HOH A 203 33.058 -14.471 12.739 1.00 36.60 O HETATM 1296 O HOH A 204 1.834 -21.658 16.829 1.00 42.59 O HETATM 1297 O HOH A 205 7.361 -13.381 -1.616 1.00 42.00 O HETATM 1298 O HOH A 206 23.596 -19.106 2.491 1.00 33.76 O HETATM 1299 O HOH A 207 25.854 -3.246 11.341 1.00 42.54 O HETATM 1300 O HOH A 208 -1.750 -19.020 8.864 1.00 32.85 O HETATM 1301 O HOH A 209 27.147 -9.818 22.283 1.00 51.72 O HETATM 1302 O HOH A 210 20.724 -3.598 15.616 1.00 38.19 O HETATM 1303 O HOH A 211 30.414 -22.278 2.878 1.00 36.96 O HETATM 1304 O HOH A 212 14.281 -24.335 -7.251 1.00 39.10 O HETATM 1305 O HOH A 213 10.104 -37.678 13.439 1.00 52.75 O HETATM 1306 O HOH A 214 26.365 -6.111 10.726 1.00 37.32 O HETATM 1307 O HOH A 215 27.197 -5.847 17.701 1.00 49.68 O HETATM 1308 O HOH A 216 38.239 -8.395 20.861 1.00 51.11 O HETATM 1309 O HOH A 217 11.479 -0.713 5.606 1.00 43.08 O HETATM 1310 O HOH A 218 19.627 7.147 4.845 1.00 42.30 O HETATM 1311 O HOH A 219 15.325 -15.275 22.301 1.00 39.82 O HETATM 1312 O HOH A 220 5.735 -20.933 15.637 1.00 53.46 O HETATM 1313 O HOH A 221 23.632 -1.525 13.322 1.00 39.68 O HETATM 1314 O HOH A 222 24.576 -6.909 -2.621 1.00 47.37 O HETATM 1315 O HOH A 223 3.582 -23.524 -1.343 1.00 52.64 O HETATM 1316 O HOH A 224 7.734 -31.036 21.282 1.00 30.87 O HETATM 1317 O HOH A 225 37.515 -29.985 8.163 1.00 33.86 O HETATM 1318 O HOH A 226 22.954 -29.920 11.574 1.00 37.47 O HETATM 1319 O HOH A 227 34.235 -32.879 9.183 1.00 32.97 O HETATM 1320 O HOH A 228 40.510 -11.971 19.304 1.00 47.91 O HETATM 1321 O HOH A 229 8.164 -33.190 21.491 1.00 38.35 O HETATM 1322 O HOH A 230 23.233 -9.019 -1.198 1.00 29.93 O HETATM 1323 O HOH A 231 23.888 2.916 2.859 1.00 31.20 O HETATM 1324 O HOH A 232 13.454 -31.005 0.938 1.00 35.85 O HETATM 1325 O HOH A 233 37.461 -33.304 9.304 1.00 41.44 O HETATM 1326 O HOH A 234 26.418 2.232 -0.544 1.00 40.53 O HETATM 1327 O HOH A 235 35.838 -31.653 6.656 1.00 47.59 O HETATM 1328 O HOH A 236 8.619 -25.703 2.024 1.00 46.31 O HETATM 1329 O HOH A 237 28.446 -25.376 -3.000 1.00 55.76 O HETATM 1330 O HOH A 238 7.652 -29.621 19.173 1.00 37.56 O HETATM 1331 O HOH A 239 27.929 1.389 5.908 1.00 54.60 O HETATM 1332 O HOH A 240 22.676 -5.076 -1.036 1.00 47.83 O HETATM 1333 O HOH A 241 0.201 -24.464 3.597 1.00 45.17 O HETATM 1334 O HOH A 242 0.726 -17.538 1.010 1.00 44.22 O HETATM 1335 O HOH A 243 23.413 -21.403 -0.055 1.00 43.52 O HETATM 1336 O HOH A 244 25.917 -32.692 10.741 1.00 51.27 O HETATM 1337 O HOH A 245 37.202 -16.558 8.459 1.00 53.15 O HETATM 1338 O HOH A 246 39.630 -17.711 9.994 1.00 27.12 O HETATM 1339 O HOH A 247 24.006 2.015 6.295 1.00 54.77 O HETATM 1340 O HOH A 248 27.356 2.233 2.048 1.00 60.21 O HETATM 1341 O HOH A 249 25.369 -0.017 15.064 0.50 43.68 O HETATM 1342 O HOH A 250 21.904 0.005 15.065 0.50 43.68 O HETATM 1343 O HOH A 251 23.095 1.392 13.186 1.00 57.74 O HETATM 1344 O HOH A 252 6.385 -42.467 12.894 1.00 59.34 O HETATM 1345 O HOH A 253 9.726 -39.716 15.572 1.00 53.37 O HETATM 1346 O HOH A 254 31.856 -17.922 2.485 1.00 51.15 O HETATM 1347 O HOH A 255 34.086 -15.955 5.153 1.00 59.26 O HETATM 1348 O HOH A 256 7.679 -40.823 15.461 1.00 40.84 O HETATM 1349 O HOH A 257 31.164 -30.192 6.189 1.00 49.40 O HETATM 1350 O HOH A 258 27.614 -1.790 4.550 1.00 51.46 O HETATM 1351 O HOH A 259 36.191 -22.962 8.381 1.00 53.61 O HETATM 1352 O HOH A 260 7.852 -11.393 10.895 1.00 44.09 O HETATM 1353 O HOH A 261 9.399 -31.184 10.748 1.00 45.46 O HETATM 1354 O HOH A 262 12.585 -21.332 29.580 0.50 58.92 O HETATM 1355 O HOH A 263 5.538 -10.110 11.590 1.00 58.70 O HETATM 1356 O HOH A 264 8.857 -8.446 13.578 1.00 50.28 O HETATM 1357 O HOH A 265 4.650 -13.358 5.719 1.00 54.85 O END