USER MOD reduce.3.24.130724 H: found=0, std=0, add=1955, rem=0, adj=64 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 06-JUL-00 1F92 TITLE UROKINASE PLASMINOGEN ACTIVATOR B CHAIN-UKI-1D COMPLEX COMPND MOL_ID: 1; COMPND 2 MOLECULE: UROKINASE-TYPE PLASMINOGEN ACTIVATOR; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: B CHAIN; COMPND 5 EC: 3.4.21.73; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: 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_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET21D KEYWDS UROKINASE, INHIBITOR, SERINE PROTEASE, HUMAN, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR E.ZESLAWSKA,A.SCHWEINITZ,A.KARCHER,P.SONDERMANN,S.SPERL, AUTHOR 2 J.STURZEBECHER,U.JACOB REVDAT 3 24-FEB-09 1F92 1 VERSN REVDAT 2 01-APR-03 1F92 1 JRNL REVDAT 1 06-JUL-01 1F92 0 JRNL AUTH E.ZESLAWSKA,A.SCHWEINITZ,A.KARCHER,P.SONDERMANN, JRNL AUTH 2 S.SPERL,J.STURZEBECHER,U.JACOB JRNL TITL CRYSTALS OF THE UROKINASE TYPE PLASMINOGEN JRNL TITL 2 ACTIVATOR VARIANT BETA(C)-UPAIN COMPLEX WITH SMALL JRNL TITL 3 MOLECULE INHIBITORS OPEN THE WAY TOWARDS JRNL TITL 4 STRUCTURE-BASED DRUG DESIGN. JRNL REF J.MOL.BIOL. V. 301 465 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10926521 JRNL DOI 10.1006/JMBI.2000.3966 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 500.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : NULL REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : 5% OF DATA REMARK 3 R VALUE (WORKING SET) : 0.201 REMARK 3 FREE R VALUE : 0.248 REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1951 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 53 REMARK 3 SOLVENT ATOMS : 36 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : NULL REMARK 3 KSOL : NULL REMARK 3 BSOL : NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1F92 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 18-JUL-00. REMARK 100 THE RCSB ID CODE IS RCSB011393. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : NULL REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 5.2 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU 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 : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : NULL REMARK 200 RESOLUTION RANGE HIGH (A) : 2.600 REMARK 200 RESOLUTION RANGE LOW (A) : 500.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.2 REMARK 200 DATA REDUNDANCY : 3.700 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : 53.9 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.42 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 5.2, VAPOR DIFFUSION, SITTING REMARK 280 DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.40000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 41.45000 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 27.30000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 41.45000 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.40000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 27.30000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 GLU A 245 REMARK 465 ASN A 246 REMARK 465 GLY A 247 REMARK 465 LEU A 248 REMARK 465 ALA A 249 REMARK 465 LEU A 250 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 ARG A 36 CG CD NE CZ NH1 NH2 REMARK 480 GLN A 78 CG CD OE1 NE2 REMARK 480 LYS A 92 CG CD CE NZ REMARK 480 GLN A 131 CD OE1 NE2 REMARK 480 ARG A 166 CG CD NE CZ NH1 NH2 REMARK 480 LYS A 179 NZ REMARK 480 GLN A 185B CD OE1 NE2 REMARK 480 LYS A 187 CD CE NZ REMARK 480 LYS A 223 CD CE NZ REMARK 480 ARG A 239 NE CZ NH1 NH2 REMARK 480 LYS A 243 CB CG CD CE NZ REMARK 480 GLU A 244 C O CB CG CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 ND2 ASN A 74 OE1 GLU A 153 1.79 REMARK 500 CB ALA A 98 OE1 GLU A 175 1.80 REMARK 500 N ASP A 185 O HOH A 1035 2.01 REMARK 500 O ILE A 163 O HOH A 1013 2.14 REMARK 500 REMARK 500 REMARK: NULL 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 VAL A 41 -69.26 -107.51 REMARK 500 SER A 54 -151.76 -147.52 REMARK 500 ASP A 97 -152.38 -92.87 REMARK 500 CYS A 111 -169.41 -104.63 REMARK 500 TYR A 171 -97.95 -90.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 72 0.22 SIDE_CHAIN REMARK 500 ARG A 217 0.19 SIDE_CHAIN 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 SO4 A 401 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 402 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE UKP A 300 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1EJN RELATED DB: PDB REMARK 900 1EJN CONTAINS THE SAME PROTEIN COMPLEXED WITH N-(1- REMARK 900 ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA REMARK 900 RELATED ID: 1F5K RELATED DB: PDB REMARK 900 1F5K CONTAINS THE SAME PROTEIN COMPLEXED WITH BENZAMIDINE REMARK 900 RELATED ID: 1F5L RELATED DB: PDB REMARK 900 1F5L CONTAINS THE SAME PROTEIN COMPLEXED WITH AMILORIDE DBREF 1F92 A 16 250 UNP P00749 UROK_HUMAN 159 411 SEQADV 1F92 CYS A 136 UNP P00749 SER 279 ENGINEERED SEQRES 1 A 253 ILE ILE GLY GLY GLU PHE THR THR ILE GLU ASN GLN PRO SEQRES 2 A 253 TRP PHE ALA ALA ILE TYR ARG ARG HIS ARG GLY GLY SER SEQRES 3 A 253 VAL THR TYR VAL CYS GLY GLY SER LEU ILE SER PRO CYS SEQRES 4 A 253 TRP VAL ILE SER ALA THR HIS CYS PHE ILE ASP TYR PRO SEQRES 5 A 253 LYS LYS GLU ASP TYR ILE VAL TYR LEU GLY ARG SER ARG SEQRES 6 A 253 LEU ASN SER ASN THR GLN GLY GLU MET LYS PHE GLU VAL SEQRES 7 A 253 GLU ASN LEU ILE LEU HIS LYS ASP TYR SER ALA ASP THR SEQRES 8 A 253 LEU ALA HIS HIS ASN ASP ILE ALA LEU LEU LYS ILE ARG SEQRES 9 A 253 SER LYS GLU GLY ARG CYS ALA GLN PRO SER ARG THR ILE SEQRES 10 A 253 GLN THR ILE SER LEU PRO SER MET TYR ASN ASP PRO GLN SEQRES 11 A 253 PHE GLY THR SER CYS GLU ILE THR GLY PHE GLY LYS GLU SEQRES 12 A 253 ASN SER THR ASP TYR LEU TYR PRO GLU GLN LEU LYS MET SEQRES 13 A 253 THR VAL VAL LYS LEU ILE SER HIS ARG GLU CYS GLN GLN SEQRES 14 A 253 PRO HIS TYR TYR GLY SER GLU VAL THR THR LYS MET LEU SEQRES 15 A 253 CYS ALA ALA ASP PRO GLN TRP LYS THR ASP SER CYS GLN SEQRES 16 A 253 GLY ASP SER GLY GLY PRO LEU VAL CYS SER LEU GLN GLY SEQRES 17 A 253 ARG MET THR LEU THR GLY ILE VAL SER TRP GLY ARG GLY SEQRES 18 A 253 CYS ALA LEU LYS ASP LYS PRO GLY VAL TYR THR ARG VAL SEQRES 19 A 253 SER HIS PHE LEU PRO TRP ILE ARG SER HIS THR LYS GLU SEQRES 20 A 253 GLU ASN GLY LEU ALA LEU HET SO4 A 401 5 HET SO4 A 402 5 HET UKP A 300 43 HETNAM SO4 SULFATE ION HETNAM UKP [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO- HETNAM 2 UKP PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE HETSYN UKP [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO- HETSYN 2 UKP PHENYLALANINE]]-PIPERAZINE-N'-BETA-ALANINE FORMUL 2 SO4 2(O4 S 2-) FORMUL 4 UKP C32 H48 N6 O4 S FORMUL 5 HOH *36(H2 O) HELIX 1 1 ALA A 55 PHE A 59 5 5 HELIX 2 3 SER A 164 GLN A 169 1 6 HELIX 3 4 TYR A 172 VAL A 176 5 5 HELIX 4 5 PHE A 234 GLU A 244 1 11 SHEET 1 A 8 GLU A 20 PHE A 21 0 SHEET 2 A 8 LYS A 156 ILE A 163 -1 O MET A 157 N GLU A 20 SHEET 3 A 8 SER A 135 GLY A 140 -1 N CYS A 136 O VAL A 160 SHEET 4 A 8 PRO A 198 SER A 202 -1 O PRO A 198 N THR A 139 SHEET 5 A 8 MET A 207 TRP A 215 -1 N THR A 208 O CYS A 201 SHEET 6 A 8 GLY A 226 ARG A 230 -1 N VAL A 227 O TRP A 215 SHEET 7 A 8 MET A 180 ALA A 184 -1 O LEU A 181 N TYR A 228 SHEET 8 A 8 LYS A 156 ILE A 163 -1 N LYS A 161 O ALA A 184 SHEET 1 B 7 MET A 81 LEU A 90 0 SHEET 2 B 7 TYR A 64 LEU A 68 -1 O TYR A 64 N VAL A 85 SHEET 3 B 7 PHE A 30 ARG A 36 -1 O ALA A 32 N TYR A 67 SHEET 4 B 7 VAL A 38 SER A 48 -1 O THR A 39 N ARG A 35 SHEET 5 B 7 TRP A 51 SER A 54 -1 O TRP A 51 N ILE A 47 SHEET 6 B 7 ALA A 104 ARG A 109 -1 O ALA A 104 N SER A 54 SHEET 7 B 7 MET A 81 LEU A 90 -1 N GLU A 84 O ARG A 109 SHEET 1 C 2 SER A 95 ALA A 96 0 SHEET 2 C 2 HIS A 99 HIS A 100 -1 N HIS A 100 O SER A 95 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.03 SSBOND *** CYS A 50 CYS A 111 1555 1555 2.03 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.03 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.02 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.03 SITE *** AC1 4 LYS A 61 HIS A 100 THR A 177 LYS A 179 SITE *** AC2 5 HIS A 57 GLN A 192 GLY A 193 SER A 195 SITE *** AC2 5 UKP A 300 SITE *** AC3 15 ASN A 26 HIS A 57 TYR A 94 LEU A 97B SITE *** AC3 15 HIS A 99 ASP A 189 SER A 190 GLN A 192 SITE *** AC3 15 VAL A 213 TRP A 215 GLY A 216 ARG A 217 SITE *** AC3 15 GLY A 219 GLY A 226 SO4 A 402 CRYST1 52.800 54.600 82.900 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.018939 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018315 0.000000 0.00000 SCALE3 0.000000 0.000000 0.012063 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 300 UKPHX21 : A 300 UKP NX2 : A 300 UKP CX :(short bond) USER MOD Set 1.1: A 240 SER OG : rot -11:sc= 0.0272 USER MOD Set 1.2: A 241 HIS : no HD1:sc= -2.46! K(o=-2.4!,f=-0.81) USER MOD Set 2.1: A 232 SER OG : rot 170:sc= 1.02 USER MOD Set 2.2: A 233 HIS : no HE2:sc= -0.963 K(o=0.054,f=-1.1) USER MOD Set 3.1: A 190 SER OG : rot -122:sc= 0.748 USER MOD Set 3.2: A 228 TYR OH : rot 30:sc= 0.00615 USER MOD Set 4.1: A 128 ASN : amide:sc= -0.0235 X(o=-0.4,f=-0.18) USER MOD Set 4.2: A 204 GLN : amide:sc= -0.375 X(o=-0.4,f=-0.18) USER MOD Set 5.1: A 177 THR OG1 : rot -162:sc= 0.00879 USER MOD Set 5.2: A 180 MET CE :methyl 167:sc= 0 (180deg=-0.0598) USER MOD Set 6.1: A 158 THR OG1 : rot 162:sc= 1.07 USER MOD Set 6.2: A 188 THR OG1 : rot 37:sc= 1.93 USER MOD Set 7.1: A 115 SER OG : rot 180:sc= 0 USER MOD Set 7.2: A 117 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: A 94 TYR OH : rot -29:sc= -0.491 USER MOD Set 8.2: A 99 HIS : no HD1:sc= -9.27! C(o=-9.8!,f=-4.2!) USER MOD Set 9.1: A 57 HIS : no HD1:sc= -0.965 K(o=0.45,f=-6.9!) USER MOD Set 9.2: A 195 SER OG : rot 118:sc= 1.41 USER MOD Set10.1: A 37 HIS : no HD1:sc= -0.986 K(o=-1.8,f=0.58) USER MOD Set10.2: A 39 THR OG1 : rot 170:sc= -0.804 USER MOD Set11.1: A 27 GLN : amide:sc= -1.35! C(o=-3!,f=-3.1!) USER MOD Set11.2: A 139 THR OG1 : rot 120:sc= -1.63! USER MOD Set12.1: A 22 THR OG1 : rot 180:sc= 0.102 USER MOD Set12.2: A 26 ASN : amide:sc= 0.161 K(o=0.26,f=-0.49) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot -28:sc= 0.981 USER MOD Single : A 37DSER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 32:sc= 1.36 USER MOD Single : A 45 SER OG : rot -48:sc= -1.5! USER MOD Single : A 48 SER OG : rot 180:sc= -0.574 USER MOD Single : A 54 SER OG : rot 102:sc= 1.13 USER MOD Single : A 56 THR OG1 : rot 87:sc= 1.4 USER MOD Single : A 60BTYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -170:sc= 0.272 (180deg=0.239) USER MOD Single : A 64 TYR OH : rot -2:sc= 0.52 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 67:sc= 0.936 USER MOD Single : A 74 ASN : amide:sc= -6.74! C(o=-6.7!,f=-8.6!) USER MOD Single : A 75 SER OG : rot -107:sc= -3.06! USER MOD Single : A 76 ASN : amide:sc= -0.45 X(o=-0.45,f=0.027) USER MOD Single : A 77 THR OG1 : rot -110:sc= 0.131 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 MET CE :methyl -174:sc= 0 (180deg=-0.0248) USER MOD Single : A 82 LYS NZ :NH3+ 172:sc= 0.65 (180deg=0.622) USER MOD Single : A 87 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.016) USER MOD Single : A 91 HIS : no HE2:sc= -2.7! K(o=-2.7!,f=-0.41) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot 180:sc= -0.0811 USER MOD Single : A 97ATHR OG1 : rot 159:sc= 0.0976 USER MOD Single : A 100 HIS : no HE2:sc= 0.457 K(o=0.67,f=-3.8!) USER MOD Single : A 101 ASN : amide:sc= 0.182 X(o=0.18,f=0.11) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 110ALYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.2) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 MET CE :methyl 168:sc= -3.93! (180deg=-4.33!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot 97:sc= 0.178 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 143 LYS NZ :NH3+ -169:sc= 0.00293 (180deg=0.000172) USER MOD Single : A 145 ASN : amide:sc= -0.225 X(o=-0.23,f=-0.23) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 149 TYR OH : rot 180:sc= 0 USER MOD Single : A 151 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 GLN : amide:sc= 0.174 X(o=0.17,f=-0.15) USER MOD Single : A 156 LYS NZ :NH3+ 175:sc= 1.07 (180deg=1.06) USER MOD Single : A 157 MET CE :methyl -135:sc= -1.61 (180deg=-3.7!) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 SER OG : rot 180:sc= 0.107 USER MOD Single : A 169 GLN : amide:sc= -0.0097 X(o=-0.0097,f=-0.33) USER MOD Single : A 170 GLN : amide:sc= 0.268 X(o=0.27,f=-0.097) USER MOD Single : A 170BHIS : no HD1:sc= -0.113 X(o=-0.11,f=0.025) USER MOD Single : A 171 TYR OH : rot 132:sc= 0.171 USER MOD Single : A 172 TYR OH : rot 173:sc= 1.66 USER MOD Single : A 174 SER OG : rot 180:sc= 0 USER MOD Single : A 178 THR OG1 : rot 180:sc= 0 USER MOD Single : A 179 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185BGLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 GLN : amide:sc= 0.337 X(o=0.34,f=0) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 207 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 208 THR OG1 : rot 180:sc= 0 USER MOD Single : A 210 THR OG1 : rot -155:sc= 0.00543 USER MOD Single : A 214 SER OG : rot 43:sc= 1.07 USER MOD Single : A 223 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 224 LYS NZ :NH3+ -121:sc= 0.998 (180deg=0.258) USER MOD Single : A 229 THR OG1 : rot 180:sc= 1.13 USER MOD Single : A 242 THR OG1 : rot -87:sc= 0.432 USER MOD Single : A 243 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 999 HIS : no HD1:sc= 0.00486 X(o=0.0049,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 27.076 1.506 21.209 1.00 23.14 N ATOM 2 CA ILE A 16 28.171 0.495 21.294 1.00 25.63 C ATOM 3 C ILE A 16 29.132 0.608 20.102 1.00 27.60 C ATOM 4 O ILE A 16 28.734 0.403 18.949 1.00 23.73 O ATOM 5 CB ILE A 16 27.600 -0.951 21.301 1.00 25.54 C ATOM 6 CG1 ILE A 16 26.798 -1.215 22.579 1.00 24.26 C ATOM 7 CG2 ILE A 16 28.733 -1.973 21.142 1.00 22.60 C ATOM 8 CD1 ILE A 16 27.645 -1.418 23.806 1.00 23.95 C ATOM 0 HA ILE A 16 28.645 0.674 22.121 1.00 25.63 H new ATOM 0 HB ILE A 16 26.996 -1.046 20.548 1.00 25.54 H new ATOM 0 HG12 ILE A 16 26.198 -0.469 22.732 1.00 24.26 H new ATOM 0 HG13 ILE A 16 26.245 -2.001 22.446 1.00 24.26 H new ATOM 0 HG21 ILE A 16 28.363 -2.870 21.148 1.00 22.60 H new ATOM 0 HG22 ILE A 16 29.193 -1.819 20.302 1.00 22.60 H new ATOM 0 HG23 ILE A 16 29.360 -1.878 21.876 1.00 22.60 H new ATOM 0 HD11 ILE A 16 27.072 -1.579 24.572 1.00 23.95 H new ATOM 0 HD12 ILE A 16 28.229 -2.181 23.674 1.00 23.95 H new ATOM 0 HD13 ILE A 16 28.181 -0.625 23.965 1.00 23.95 H new ATOM 9 N ILE A 17 30.390 0.939 20.383 1.00 27.11 N ATOM 10 CA ILE A 17 31.402 1.028 19.332 1.00 25.22 C ATOM 11 C ILE A 17 31.803 -0.401 18.983 1.00 26.18 C ATOM 12 O ILE A 17 32.079 -1.207 19.875 1.00 24.48 O ATOM 13 CB ILE A 17 32.670 1.789 19.794 1.00 23.51 C ATOM 14 CG1 ILE A 17 32.296 3.009 20.638 1.00 25.09 C ATOM 15 CG2 ILE A 17 33.498 2.213 18.582 1.00 16.76 C ATOM 16 CD1 ILE A 17 31.583 4.108 19.883 1.00 23.87 C ATOM 0 H ILE A 17 30.678 1.116 21.174 1.00 27.11 H new ATOM 0 HA ILE A 17 31.030 1.513 18.578 1.00 25.22 H new ATOM 0 HB ILE A 17 33.202 1.193 20.345 1.00 23.51 H new ATOM 0 HG12 ILE A 17 31.731 2.718 21.371 1.00 25.09 H new ATOM 0 HG13 ILE A 17 33.104 3.375 21.030 1.00 25.09 H new ATOM 0 HG21 ILE A 17 34.289 2.688 18.881 1.00 16.76 H new ATOM 0 HG22 ILE A 17 33.764 1.427 18.080 1.00 16.76 H new ATOM 0 HG23 ILE A 17 32.967 2.794 18.015 1.00 16.76 H new ATOM 0 HD11 ILE A 17 31.383 4.839 20.488 1.00 23.87 H new ATOM 0 HD12 ILE A 17 32.151 4.429 19.165 1.00 23.87 H new ATOM 0 HD13 ILE A 17 30.757 3.762 19.511 1.00 23.87 H new ATOM 17 N GLY A 18 31.857 -0.704 17.689 1.00 24.36 N ATOM 18 CA GLY A 18 32.209 -2.047 17.264 1.00 24.68 C ATOM 19 C GLY A 18 31.128 -3.043 17.643 1.00 26.00 C ATOM 20 O GLY A 18 29.947 -2.696 17.703 1.00 27.94 O ATOM 0 H GLY A 18 31.695 -0.151 17.051 1.00 24.36 H new ATOM 0 HA2 GLY A 18 32.342 -2.061 16.303 1.00 24.68 H new ATOM 0 HA3 GLY A 18 33.050 -2.308 17.671 1.00 24.68 H new ATOM 21 N GLY A 19 31.528 -4.284 17.900 1.00 25.07 N ATOM 22 CA GLY A 19 30.573 -5.310 18.273 1.00 26.07 C ATOM 23 C GLY A 19 29.690 -5.770 17.127 1.00 27.03 C ATOM 24 O GLY A 19 30.044 -5.624 15.959 1.00 26.38 O ATOM 0 H GLY A 19 32.346 -4.548 17.863 1.00 25.07 H new ATOM 0 HA2 GLY A 19 31.054 -6.074 18.627 1.00 26.07 H new ATOM 0 HA3 GLY A 19 30.011 -4.973 18.988 1.00 26.07 H new ATOM 25 N GLU A 20 28.538 -6.336 17.465 1.00 28.86 N ATOM 26 CA GLU A 20 27.594 -6.842 16.469 1.00 31.25 C ATOM 27 C GLU A 20 26.155 -6.440 16.786 1.00 29.87 C ATOM 28 O GLU A 20 25.842 -6.048 17.913 1.00 30.49 O ATOM 29 CB GLU A 20 27.672 -8.372 16.370 1.00 36.88 C ATOM 30 CG GLU A 20 28.755 -9.023 17.242 1.00 47.91 C ATOM 31 CD GLU A 20 28.438 -10.456 17.662 1.00 54.34 C ATOM 32 OE1 GLU A 20 29.397 -11.215 17.906 1.00 56.01 O ATOM 33 OE2 GLU A 20 27.250 -10.825 17.771 1.00 59.27 O ATOM 0 H GLU A 20 28.279 -6.439 18.279 1.00 28.86 H new ATOM 0 HA GLU A 20 27.847 -6.444 15.622 1.00 31.25 H new ATOM 0 HB2 GLU A 20 26.810 -8.743 16.617 1.00 36.88 H new ATOM 0 HB3 GLU A 20 27.831 -8.615 15.445 1.00 36.88 H new ATOM 0 HG2 GLU A 20 29.595 -9.017 16.757 1.00 47.91 H new ATOM 0 HG3 GLU A 20 28.883 -8.484 18.038 1.00 47.91 H new ATOM 34 N PHE A 21 25.299 -6.477 15.767 1.00 27.98 N ATOM 35 CA PHE A 21 23.886 -6.163 15.946 1.00 25.62 C ATOM 36 C PHE A 21 23.193 -7.394 16.511 1.00 25.73 C ATOM 37 O PHE A 21 23.607 -8.521 16.249 1.00 25.11 O ATOM 38 CB PHE A 21 23.238 -5.749 14.624 1.00 26.96 C ATOM 39 CG PHE A 21 23.541 -4.338 14.217 1.00 29.63 C ATOM 40 CD1 PHE A 21 24.463 -4.073 13.212 1.00 30.59 C ATOM 41 CD2 PHE A 21 22.907 -3.269 14.844 1.00 27.15 C ATOM 42 CE1 PHE A 21 24.748 -2.766 12.833 1.00 33.56 C ATOM 43 CE2 PHE A 21 23.185 -1.957 14.473 1.00 29.63 C ATOM 44 CZ PHE A 21 24.108 -1.704 13.464 1.00 31.59 C ATOM 0 H PHE A 21 25.519 -6.683 14.961 1.00 27.98 H new ATOM 0 HA PHE A 21 23.797 -5.415 16.557 1.00 25.62 H new ATOM 0 HB2 PHE A 21 23.538 -6.350 13.924 1.00 26.96 H new ATOM 0 HB3 PHE A 21 22.277 -5.856 14.697 1.00 26.96 H new ATOM 0 HD1 PHE A 21 24.895 -4.779 12.787 1.00 30.59 H new ATOM 0 HD2 PHE A 21 22.290 -3.434 15.520 1.00 27.15 H new ATOM 0 HE1 PHE A 21 25.366 -2.602 12.158 1.00 33.56 H new ATOM 0 HE2 PHE A 21 22.755 -1.251 14.899 1.00 29.63 H new ATOM 0 HZ PHE A 21 24.297 -0.829 13.212 1.00 31.59 H new ATOM 45 N THR A 22 22.113 -7.176 17.250 1.00 23.85 N ATOM 46 CA THR A 22 21.407 -8.283 17.875 1.00 23.15 C ATOM 47 C THR A 22 19.922 -8.011 18.084 1.00 23.86 C ATOM 48 O THR A 22 19.419 -6.934 17.755 1.00 21.92 O ATOM 49 CB THR A 22 22.079 -8.642 19.232 1.00 24.06 C ATOM 50 OG1 THR A 22 21.633 -9.927 19.674 1.00 29.00 O ATOM 51 CG2 THR A 22 21.752 -7.597 20.297 1.00 20.61 C ATOM 0 H THR A 22 21.775 -6.400 17.401 1.00 23.85 H new ATOM 0 HA THR A 22 21.467 -9.033 17.262 1.00 23.15 H new ATOM 0 HB THR A 22 23.039 -8.658 19.097 1.00 24.06 H new ATOM 0 HG1 THR A 22 22.000 -10.115 20.406 1.00 29.00 H new ATOM 0 HG21 THR A 22 22.180 -7.841 21.132 1.00 20.61 H new ATOM 0 HG22 THR A 22 22.076 -6.729 20.009 1.00 20.61 H new ATOM 0 HG23 THR A 22 20.792 -7.556 20.427 1.00 20.61 H new ATOM 52 N THR A 23 19.223 -9.015 18.602 1.00 23.93 N ATOM 53 CA THR A 23 17.802 -8.900 18.893 1.00 26.80 C ATOM 54 C THR A 23 17.551 -9.042 20.391 1.00 26.73 C ATOM 55 O THR A 23 18.421 -9.497 21.135 1.00 28.16 O ATOM 56 CB THR A 23 16.977 -9.945 18.128 1.00 31.91 C ATOM 57 OG1 THR A 23 17.661 -11.204 18.123 1.00 32.64 O ATOM 58 CG2 THR A 23 16.771 -9.486 16.697 1.00 33.40 C ATOM 0 H THR A 23 19.561 -9.782 18.794 1.00 23.93 H new ATOM 0 HA THR A 23 17.518 -8.020 18.600 1.00 26.80 H new ATOM 0 HB THR A 23 16.118 -10.047 18.567 1.00 31.91 H new ATOM 0 HG1 THR A 23 17.203 -11.770 17.704 1.00 32.64 H new ATOM 0 HG21 THR A 23 16.250 -10.148 16.216 1.00 33.40 H new ATOM 0 HG22 THR A 23 16.299 -8.639 16.694 1.00 33.40 H new ATOM 0 HG23 THR A 23 17.632 -9.377 16.265 1.00 33.40 H new ATOM 59 N ILE A 24 16.371 -8.617 20.840 1.00 26.13 N ATOM 60 CA ILE A 24 16.031 -8.702 22.259 1.00 29.79 C ATOM 61 C ILE A 24 15.855 -10.148 22.737 1.00 31.14 C ATOM 62 O ILE A 24 15.766 -10.406 23.942 1.00 31.02 O ATOM 63 CB ILE A 24 14.770 -7.857 22.609 1.00 31.03 C ATOM 64 CG1 ILE A 24 14.867 -7.355 24.052 1.00 33.48 C ATOM 65 CG2 ILE A 24 13.495 -8.667 22.401 1.00 30.98 C ATOM 66 CD1 ILE A 24 15.983 -6.361 24.285 1.00 33.27 C ATOM 0 H ILE A 24 15.757 -8.278 20.343 1.00 26.13 H new ATOM 0 HA ILE A 24 16.789 -8.327 22.735 1.00 29.79 H new ATOM 0 HB ILE A 24 14.732 -7.093 22.013 1.00 31.03 H new ATOM 0 HG12 ILE A 24 14.024 -6.944 24.299 1.00 33.48 H new ATOM 0 HG13 ILE A 24 14.995 -8.115 24.641 1.00 33.48 H new ATOM 0 HG21 ILE A 24 12.725 -8.122 22.625 1.00 30.98 H new ATOM 0 HG22 ILE A 24 13.436 -8.945 21.474 1.00 30.98 H new ATOM 0 HG23 ILE A 24 13.512 -9.451 22.972 1.00 30.98 H new ATOM 0 HD11 ILE A 24 15.984 -6.088 25.216 1.00 33.27 H new ATOM 0 HD12 ILE A 24 16.834 -6.773 24.068 1.00 33.27 H new ATOM 0 HD13 ILE A 24 15.847 -5.584 23.721 1.00 33.27 H new ATOM 67 N GLU A 25 15.738 -11.078 21.794 1.00 32.39 N ATOM 68 CA GLU A 25 15.603 -12.492 22.128 1.00 34.72 C ATOM 69 C GLU A 25 16.899 -12.971 22.783 1.00 33.78 C ATOM 70 O GLU A 25 16.906 -13.938 23.552 1.00 35.34 O ATOM 71 CB GLU A 25 15.307 -13.315 20.872 1.00 37.99 C ATOM 72 CG GLU A 25 13.933 -13.030 20.269 1.00 45.85 C ATOM 73 CD GLU A 25 13.944 -12.980 18.753 1.00 49.22 C ATOM 74 OE1 GLU A 25 13.808 -11.870 18.196 1.00 52.78 O ATOM 75 OE2 GLU A 25 14.066 -14.049 18.115 1.00 47.42 O ATOM 0 H GLU A 25 15.735 -10.910 20.951 1.00 32.39 H new ATOM 0 HA GLU A 25 14.863 -12.609 22.744 1.00 34.72 H new ATOM 0 HB2 GLU A 25 15.989 -13.133 20.206 1.00 37.99 H new ATOM 0 HB3 GLU A 25 15.368 -14.258 21.090 1.00 37.99 H new ATOM 0 HG2 GLU A 25 13.310 -13.715 20.560 1.00 45.85 H new ATOM 0 HG3 GLU A 25 13.605 -12.184 20.612 1.00 45.85 H new ATOM 76 N ASN A 26 17.990 -12.274 22.467 1.00 31.83 N ATOM 77 CA ASN A 26 19.306 -12.589 23.004 1.00 32.27 C ATOM 78 C ASN A 26 19.608 -11.754 24.253 1.00 32.54 C ATOM 79 O ASN A 26 20.467 -12.119 25.062 1.00 34.00 O ATOM 80 CB ASN A 26 20.377 -12.375 21.929 1.00 33.27 C ATOM 81 CG ASN A 26 20.201 -13.301 20.731 1.00 35.65 C ATOM 82 OD1 ASN A 26 19.771 -14.448 20.875 1.00 37.31 O ATOM 83 ND2 ASN A 26 20.551 -12.816 19.546 1.00 38.28 N ATOM 0 H ASN A 26 17.984 -11.601 21.931 1.00 31.83 H new ATOM 0 HA ASN A 26 19.314 -13.522 23.268 1.00 32.27 H new ATOM 0 HB2 ASN A 26 20.348 -11.453 21.628 1.00 33.27 H new ATOM 0 HB3 ASN A 26 21.254 -12.519 22.318 1.00 33.27 H new ATOM 0 HD21 ASN A 26 20.481 -13.307 18.843 1.00 38.28 H new ATOM 0 HD22 ASN A 26 20.847 -12.011 19.481 1.00 38.28 H new ATOM 84 N GLN A 27 18.876 -10.652 24.418 1.00 30.30 N ATOM 85 CA GLN A 27 19.028 -9.770 25.578 1.00 28.70 C ATOM 86 C GLN A 27 17.633 -9.513 26.166 1.00 28.92 C ATOM 87 O GLN A 27 17.232 -8.361 26.348 1.00 32.34 O ATOM 88 CB GLN A 27 19.639 -8.422 25.168 1.00 26.40 C ATOM 89 CG GLN A 27 20.744 -8.478 24.127 1.00 24.07 C ATOM 90 CD GLN A 27 21.989 -9.179 24.619 1.00 22.96 C ATOM 91 OE1 GLN A 27 22.160 -10.384 24.428 1.00 22.02 O ATOM 92 NE2 GLN A 27 22.865 -8.428 25.267 1.00 22.87 N ATOM 0 H GLN A 27 18.276 -10.394 23.859 1.00 30.30 H new ATOM 0 HA GLN A 27 19.615 -10.193 26.224 1.00 28.70 H new ATOM 0 HB2 GLN A 27 18.929 -7.855 24.829 1.00 26.40 H new ATOM 0 HB3 GLN A 27 19.990 -7.991 25.963 1.00 26.40 H new ATOM 0 HG2 GLN A 27 20.414 -8.934 23.337 1.00 24.07 H new ATOM 0 HG3 GLN A 27 20.973 -7.575 23.858 1.00 24.07 H new ATOM 0 HE21 GLN A 27 22.711 -7.590 25.381 1.00 22.87 H new ATOM 0 HE22 GLN A 27 23.588 -8.778 25.574 1.00 22.87 H new ATOM 93 N PRO A 28 16.905 -10.582 26.537 1.00 26.79 N ATOM 94 CA PRO A 28 15.552 -10.476 27.098 1.00 23.61 C ATOM 95 C PRO A 28 15.312 -9.568 28.311 1.00 23.08 C ATOM 96 O PRO A 28 14.178 -9.173 28.570 1.00 22.46 O ATOM 97 CB PRO A 28 15.204 -11.930 27.389 1.00 24.68 C ATOM 98 CG PRO A 28 16.516 -12.539 27.753 1.00 22.95 C ATOM 99 CD PRO A 28 17.430 -11.951 26.702 1.00 25.93 C ATOM 0 HA PRO A 28 14.983 -10.015 26.462 1.00 23.61 H new ATOM 0 HB2 PRO A 28 14.563 -12.005 28.113 1.00 24.68 H new ATOM 0 HB3 PRO A 28 14.811 -12.364 26.616 1.00 24.68 H new ATOM 0 HG2 PRO A 28 16.792 -12.299 28.651 1.00 22.95 H new ATOM 0 HG3 PRO A 28 16.491 -13.508 27.713 1.00 22.95 H new ATOM 0 HD2 PRO A 28 18.356 -11.949 26.991 1.00 25.93 H new ATOM 0 HD3 PRO A 28 17.393 -12.452 25.872 1.00 25.93 H new ATOM 100 N TRP A 29 16.367 -9.223 29.030 1.00 22.91 N ATOM 101 CA TRP A 29 16.242 -8.380 30.208 1.00 21.43 C ATOM 102 C TRP A 29 16.457 -6.909 29.892 1.00 22.26 C ATOM 103 O TRP A 29 16.331 -6.059 30.778 1.00 23.14 O ATOM 104 CB TRP A 29 17.266 -8.821 31.247 1.00 22.25 C ATOM 105 CG TRP A 29 18.636 -8.971 30.657 1.00 22.13 C ATOM 106 CD1 TRP A 29 19.513 -7.973 30.359 1.00 21.07 C ATOM 107 CD2 TRP A 29 19.260 -10.192 30.241 1.00 23.19 C ATOM 108 NE1 TRP A 29 20.643 -8.492 29.774 1.00 25.03 N ATOM 109 CE2 TRP A 29 20.515 -9.852 29.690 1.00 22.81 C ATOM 110 CE3 TRP A 29 18.877 -11.541 30.274 1.00 25.74 C ATOM 111 CZ2 TRP A 29 21.395 -10.811 29.175 1.00 24.61 C ATOM 112 CZ3 TRP A 29 19.752 -12.501 29.759 1.00 26.67 C ATOM 113 CH2 TRP A 29 20.998 -12.127 29.217 1.00 26.48 C ATOM 0 H TRP A 29 17.172 -9.468 28.852 1.00 22.91 H new ATOM 0 HA TRP A 29 15.338 -8.479 30.546 1.00 21.43 H new ATOM 0 HB2 TRP A 29 17.294 -8.172 31.968 1.00 22.25 H new ATOM 0 HB3 TRP A 29 16.988 -9.665 31.636 1.00 22.25 H new ATOM 0 HD1 TRP A 29 19.368 -7.070 30.527 1.00 21.07 H new ATOM 0 HE1 TRP A 29 21.321 -8.036 29.504 1.00 25.03 H new ATOM 0 HE3 TRP A 29 18.056 -11.792 30.632 1.00 25.74 H new ATOM 0 HZ2 TRP A 29 22.218 -10.567 28.817 1.00 24.61 H new ATOM 0 HZ3 TRP A 29 19.509 -13.399 29.774 1.00 26.67 H new ATOM 0 HH2 TRP A 29 21.564 -12.784 28.881 1.00 26.48 H new ATOM 114 N PHE A 30 16.802 -6.603 28.644 1.00 20.60 N ATOM 115 CA PHE A 30 17.062 -5.220 28.282 1.00 18.75 C ATOM 116 C PHE A 30 15.849 -4.313 28.239 1.00 18.80 C ATOM 117 O PHE A 30 14.846 -4.618 27.591 1.00 18.33 O ATOM 118 CB PHE A 30 17.824 -5.114 26.971 1.00 18.23 C ATOM 119 CG PHE A 30 18.248 -3.712 26.648 1.00 19.95 C ATOM 120 CD1 PHE A 30 17.601 -2.985 25.658 1.00 16.40 C ATOM 121 CD2 PHE A 30 19.273 -3.102 27.368 1.00 19.36 C ATOM 122 CE1 PHE A 30 17.962 -1.677 25.392 1.00 18.44 C ATOM 123 CE2 PHE A 30 19.642 -1.787 27.104 1.00 18.29 C ATOM 124 CZ PHE A 30 18.986 -1.076 26.118 1.00 17.47 C ATOM 0 H PHE A 30 16.889 -7.172 28.005 1.00 20.60 H new ATOM 0 HA PHE A 30 17.608 -4.896 29.015 1.00 18.75 H new ATOM 0 HB2 PHE A 30 18.609 -5.682 27.013 1.00 18.23 H new ATOM 0 HB3 PHE A 30 17.268 -5.452 26.252 1.00 18.23 H new ATOM 0 HD1 PHE A 30 16.917 -3.382 25.168 1.00 16.40 H new ATOM 0 HD2 PHE A 30 19.715 -3.579 28.032 1.00 19.36 H new ATOM 0 HE1 PHE A 30 17.520 -1.199 24.728 1.00 18.44 H new ATOM 0 HE2 PHE A 30 20.328 -1.388 27.589 1.00 18.29 H new ATOM 0 HZ PHE A 30 19.229 -0.196 25.939 1.00 17.47 H new ATOM 125 N ALA A 31 15.970 -3.183 28.931 1.00 17.59 N ATOM 126 CA ALA A 31 14.914 -2.185 28.990 1.00 14.86 C ATOM 127 C ALA A 31 15.386 -0.947 28.264 1.00 13.58 C ATOM 128 O ALA A 31 16.534 -0.530 28.407 1.00 16.81 O ATOM 129 CB ALA A 31 14.588 -1.843 30.430 1.00 16.20 C ATOM 0 H ALA A 31 16.673 -2.975 29.381 1.00 17.59 H new ATOM 0 HA ALA A 31 14.112 -2.535 28.572 1.00 14.86 H new ATOM 0 HB1 ALA A 31 13.883 -1.177 30.453 1.00 16.20 H new ATOM 0 HB2 ALA A 31 14.293 -2.642 30.894 1.00 16.20 H new ATOM 0 HB3 ALA A 31 15.379 -1.491 30.866 1.00 16.20 H new ATOM 130 N ALA A 32 14.492 -0.361 27.483 1.00 13.56 N ATOM 131 CA ALA A 32 14.794 0.844 26.723 1.00 12.21 C ATOM 132 C ALA A 32 13.976 1.965 27.353 1.00 13.35 C ATOM 133 O ALA A 32 12.744 1.893 27.395 1.00 15.76 O ATOM 134 CB ALA A 32 14.403 0.644 25.276 1.00 9.42 C ATOM 0 H ALA A 32 13.689 -0.651 27.377 1.00 13.56 H new ATOM 0 HA ALA A 32 15.740 1.056 26.743 1.00 12.21 H new ATOM 0 HB1 ALA A 32 14.605 1.448 24.772 1.00 9.42 H new ATOM 0 HB2 ALA A 32 14.900 -0.102 24.906 1.00 9.42 H new ATOM 0 HB3 ALA A 32 13.453 0.458 25.220 1.00 9.42 H new ATOM 135 N ILE A 33 14.659 2.987 27.858 1.00 9.74 N ATOM 136 CA ILE A 33 13.989 4.089 28.522 1.00 13.34 C ATOM 137 C ILE A 33 13.971 5.382 27.724 1.00 16.77 C ATOM 138 O ILE A 33 15.022 5.943 27.408 1.00 19.14 O ATOM 139 CB ILE A 33 14.638 4.365 29.894 1.00 15.58 C ATOM 140 CG1 ILE A 33 14.824 3.049 30.651 1.00 16.88 C ATOM 141 CG2 ILE A 33 13.783 5.340 30.689 1.00 8.16 C ATOM 142 CD1 ILE A 33 15.710 3.164 31.858 1.00 25.69 C ATOM 0 H ILE A 33 15.515 3.058 27.824 1.00 9.74 H new ATOM 0 HA ILE A 33 13.067 3.803 28.621 1.00 13.34 H new ATOM 0 HB ILE A 33 15.510 4.769 29.764 1.00 15.58 H new ATOM 0 HG12 ILE A 33 13.955 2.720 30.928 1.00 16.88 H new ATOM 0 HG13 ILE A 33 15.198 2.388 30.047 1.00 16.88 H new ATOM 0 HG21 ILE A 33 14.198 5.508 31.549 1.00 8.16 H new ATOM 0 HG22 ILE A 33 13.704 6.174 30.200 1.00 8.16 H new ATOM 0 HG23 ILE A 33 12.901 4.961 30.825 1.00 8.16 H new ATOM 0 HD11 ILE A 33 15.785 2.298 32.289 1.00 25.69 H new ATOM 0 HD12 ILE A 33 16.591 3.466 31.586 1.00 25.69 H new ATOM 0 HD13 ILE A 33 15.328 3.802 32.480 1.00 25.69 H new ATOM 143 N TYR A 34 12.765 5.888 27.478 1.00 19.00 N ATOM 144 CA TYR A 34 12.566 7.119 26.723 1.00 20.78 C ATOM 145 C TYR A 34 11.994 8.218 27.608 1.00 23.88 C ATOM 146 O TYR A 34 11.410 7.947 28.661 1.00 24.16 O ATOM 147 CB TYR A 34 11.592 6.879 25.567 1.00 22.97 C ATOM 148 CG TYR A 34 12.012 5.822 24.572 1.00 23.82 C ATOM 149 CD1 TYR A 34 12.440 6.176 23.291 1.00 27.27 C ATOM 150 CD2 TYR A 34 11.981 4.468 24.905 1.00 23.10 C ATOM 151 CE1 TYR A 34 12.830 5.201 22.366 1.00 26.43 C ATOM 152 CE2 TYR A 34 12.368 3.489 23.995 1.00 22.14 C ATOM 153 CZ TYR A 34 12.791 3.861 22.731 1.00 23.66 C ATOM 154 OH TYR A 34 13.199 2.902 21.844 1.00 22.07 O ATOM 0 H TYR A 34 12.035 5.523 27.747 1.00 19.00 H new ATOM 0 HA TYR A 34 13.431 7.395 26.383 1.00 20.78 H new ATOM 0 HB2 TYR A 34 10.731 6.629 25.937 1.00 22.97 H new ATOM 0 HB3 TYR A 34 11.465 7.715 25.093 1.00 22.97 H new ATOM 0 HD1 TYR A 34 12.466 7.074 23.049 1.00 27.27 H new ATOM 0 HD2 TYR A 34 11.696 4.214 25.753 1.00 23.10 H new ATOM 0 HE1 TYR A 34 13.113 5.448 21.515 1.00 26.43 H new ATOM 0 HE2 TYR A 34 12.343 2.591 24.235 1.00 22.14 H new ATOM 0 HH TYR A 34 13.080 3.177 21.059 1.00 22.07 H new ATOM 155 N ARG A 35 12.140 9.458 27.154 1.00 29.79 N ATOM 156 CA ARG A 35 11.625 10.620 27.872 1.00 35.06 C ATOM 157 C ARG A 35 10.616 11.339 26.987 1.00 36.03 C ATOM 158 O ARG A 35 10.889 11.595 25.820 1.00 38.72 O ATOM 159 CB ARG A 35 12.762 11.584 28.231 1.00 38.64 C ATOM 160 CG ARG A 35 12.381 12.638 29.268 1.00 43.69 C ATOM 161 CD ARG A 35 13.593 13.408 29.795 1.00 43.82 C ATOM 162 NE ARG A 35 13.800 14.686 29.115 1.00 48.61 N ATOM 163 CZ ARG A 35 12.968 15.726 29.186 1.00 49.77 C ATOM 164 NH1 ARG A 35 11.853 15.657 29.907 1.00 48.98 N ATOM 165 NH2 ARG A 35 13.265 16.851 28.549 1.00 49.73 N ATOM 0 H ARG A 35 12.542 9.651 26.418 1.00 29.79 H new ATOM 0 HA ARG A 35 11.203 10.322 28.693 1.00 35.06 H new ATOM 0 HB2 ARG A 35 13.514 11.071 28.566 1.00 38.64 H new ATOM 0 HB3 ARG A 35 13.061 12.031 27.424 1.00 38.64 H new ATOM 0 HG2 ARG A 35 11.752 13.262 28.874 1.00 43.69 H new ATOM 0 HG3 ARG A 35 11.927 12.208 30.010 1.00 43.69 H new ATOM 0 HD2 ARG A 35 13.480 13.568 30.745 1.00 43.82 H new ATOM 0 HD3 ARG A 35 14.387 12.861 29.692 1.00 43.82 H new ATOM 0 HE ARG A 35 14.508 14.773 28.635 1.00 48.61 H new ATOM 0 HH11 ARG A 35 11.661 14.936 30.334 1.00 48.98 H new ATOM 0 HH12 ARG A 35 11.324 16.334 29.946 1.00 48.98 H new ATOM 0 HH21 ARG A 35 13.992 16.908 28.092 1.00 49.73 H new ATOM 0 HH22 ARG A 35 12.731 17.524 28.593 1.00 49.73 H new ATOM 166 N ARG A 36 9.434 11.609 27.531 1.00 39.12 N ATOM 167 CA ARG A 36 8.386 12.322 26.811 1.00 41.75 C ATOM 168 C ARG A 36 8.748 13.787 26.747 1.00 43.85 C ATOM 169 O ARG A 36 9.476 14.305 27.595 1.00 45.10 O ATOM 170 CB ARG A 36 7.044 12.219 27.532 1.00 45.92 C ATOM 171 CG ARG A 36 6.264 10.943 27.294 0.00 51.24 C ATOM 172 CD ARG A 36 4.900 11.024 27.966 0.00 51.32 C ATOM 173 NE ARG A 36 4.077 9.864 27.650 0.00 53.04 N ATOM 174 CZ ARG A 36 3.765 8.906 28.516 0.00 56.22 C ATOM 175 NH1 ARG A 36 4.207 8.968 29.770 0.00 57.95 N ATOM 176 NH2 ARG A 36 3.025 7.874 28.123 0.00 57.16 N ATOM 0 H ARG A 36 9.217 11.383 28.332 1.00 39.12 H new ATOM 0 HA ARG A 36 8.310 11.927 25.928 1.00 41.75 H new ATOM 0 HB2 ARG A 36 7.200 12.310 28.485 1.00 45.92 H new ATOM 0 HB3 ARG A 36 6.493 12.970 27.262 1.00 45.92 H new ATOM 0 HG2 ARG A 36 6.154 10.797 26.341 0.00 51.24 H new ATOM 0 HG3 ARG A 36 6.758 10.185 27.642 0.00 51.24 H new ATOM 0 HD2 ARG A 36 5.015 11.088 28.927 0.00 51.32 H new ATOM 0 HD3 ARG A 36 4.445 11.832 27.681 0.00 51.32 H new ATOM 0 HE ARG A 36 3.773 9.795 26.849 0.00 53.04 H new ATOM 0 HH11 ARG A 36 4.696 9.629 30.021 0.00 57.95 H new ATOM 0 HH12 ARG A 36 4.004 8.347 30.329 0.00 57.95 H new ATOM 0 HH21 ARG A 36 2.749 7.828 27.310 0.00 57.16 H new ATOM 0 HH22 ARG A 36 2.822 7.253 28.682 0.00 57.16 H new ATOM 177 N HIS A 37 8.198 14.468 25.758 1.00 47.60 N ATOM 178 CA HIS A 37 8.457 15.882 25.602 1.00 50.50 C ATOM 179 C HIS A 37 7.194 16.691 25.368 1.00 52.14 C ATOM 180 O HIS A 37 6.139 16.166 24.996 1.00 51.16 O ATOM 181 CB HIS A 37 9.458 16.128 24.466 1.00 49.16 C ATOM 182 CG HIS A 37 10.881 15.875 24.850 1.00 48.85 C ATOM 183 ND1 HIS A 37 11.585 14.772 24.420 1.00 50.02 N ATOM 184 CD2 HIS A 37 11.731 16.583 25.631 1.00 49.43 C ATOM 185 CE1 HIS A 37 12.808 14.810 24.919 1.00 49.49 C ATOM 186 NE2 HIS A 37 12.922 15.899 25.658 1.00 51.05 N ATOM 0 H HIS A 37 7.672 14.129 25.168 1.00 47.60 H new ATOM 0 HA HIS A 37 8.839 16.185 26.440 1.00 50.50 H new ATOM 0 HB2 HIS A 37 9.228 15.559 23.715 1.00 49.16 H new ATOM 0 HB3 HIS A 37 9.372 17.045 24.163 1.00 49.16 H new ATOM 0 HD2 HIS A 37 11.544 17.383 26.067 1.00 49.43 H new ATOM 0 HE1 HIS A 37 13.475 14.178 24.775 1.00 49.49 H new ATOM 0 HE2 HIS A 37 13.627 16.141 26.087 1.00 51.05 H new ATOM 187 N ARG A 37A 7.321 17.977 25.657 1.00 54.30 N ATOM 188 CA ARG A 37A 6.271 18.960 25.474 1.00 56.83 C ATOM 189 C ARG A 37A 5.937 18.956 23.985 1.00 57.36 C ATOM 190 O ARG A 37A 6.715 19.443 23.163 1.00 57.05 O ATOM 191 CB ARG A 37A 6.801 20.335 25.896 1.00 58.10 C ATOM 192 CG ARG A 37A 8.330 20.485 25.746 1.00 57.96 C ATOM 193 CD ARG A 37A 9.083 19.712 26.842 1.00 55.31 C ATOM 194 NE ARG A 37A 10.516 19.596 26.589 1.00 54.26 N ATOM 195 CZ ARG A 37A 11.448 19.668 27.535 1.00 53.69 C ATOM 196 NH1 ARG A 37A 11.096 19.860 28.800 1.00 50.62 N ATOM 197 NH2 ARG A 37A 12.731 19.532 27.219 1.00 51.17 N ATOM 0 H ARG A 37A 8.046 18.311 25.976 1.00 54.30 H new ATOM 0 HA ARG A 37A 5.484 18.760 26.005 1.00 56.83 H new ATOM 0 HB2 ARG A 37A 6.364 21.018 25.364 1.00 58.10 H new ATOM 0 HB3 ARG A 37A 6.558 20.496 26.821 1.00 58.10 H new ATOM 0 HG2 ARG A 37A 8.604 20.161 24.874 1.00 57.96 H new ATOM 0 HG3 ARG A 37A 8.570 21.424 25.788 1.00 57.96 H new ATOM 0 HD2 ARG A 37A 8.947 20.156 27.694 1.00 55.31 H new ATOM 0 HD3 ARG A 37A 8.702 18.823 26.921 1.00 55.31 H new ATOM 0 HE ARG A 37A 10.774 19.473 25.778 1.00 54.26 H new ATOM 0 HH11 ARG A 37A 10.265 19.938 29.008 1.00 50.62 H new ATOM 0 HH12 ARG A 37A 11.699 19.907 29.412 1.00 50.62 H new ATOM 0 HH21 ARG A 37A 12.960 19.397 26.401 1.00 51.17 H new ATOM 0 HH22 ARG A 37A 13.332 19.579 27.832 1.00 51.17 H new ATOM 198 N GLY A 37B 4.818 18.331 23.640 1.00 57.84 N ATOM 199 CA GLY A 37B 4.418 18.262 22.249 1.00 59.23 C ATOM 200 C GLY A 37B 4.108 16.839 21.839 1.00 60.10 C ATOM 201 O GLY A 37B 2.970 16.382 21.982 1.00 61.78 O ATOM 0 H GLY A 37B 4.283 17.945 24.192 1.00 57.84 H new ATOM 0 HA2 GLY A 37B 3.637 18.820 22.106 1.00 59.23 H new ATOM 0 HA3 GLY A 37B 5.126 18.616 21.688 1.00 59.23 H new ATOM 202 N GLY A 37C 5.121 16.134 21.344 1.00 59.97 N ATOM 203 CA GLY A 37C 4.927 14.757 20.922 1.00 57.18 C ATOM 204 C GLY A 37C 6.200 13.938 20.789 1.00 56.55 C ATOM 205 O GLY A 37C 6.146 12.705 20.812 1.00 56.62 O ATOM 0 H GLY A 37C 5.921 16.434 21.246 1.00 59.97 H new ATOM 0 HA2 GLY A 37C 4.341 14.318 21.558 1.00 57.18 H new ATOM 0 HA3 GLY A 37C 4.468 14.757 20.067 1.00 57.18 H new ATOM 206 N SER A 37D 7.347 14.608 20.674 1.00 54.29 N ATOM 207 CA SER A 37D 8.624 13.910 20.521 1.00 52.65 C ATOM 208 C SER A 37D 9.034 13.078 21.742 1.00 50.03 C ATOM 209 O SER A 37D 8.885 13.506 22.893 1.00 48.24 O ATOM 210 CB SER A 37D 9.750 14.888 20.148 1.00 53.48 C ATOM 211 OG SER A 37D 10.206 15.621 21.272 1.00 54.99 O ATOM 0 H SER A 37D 7.407 15.466 20.682 1.00 54.29 H new ATOM 0 HA SER A 37D 8.484 13.281 19.796 1.00 52.65 H new ATOM 0 HB2 SER A 37D 10.491 14.396 19.761 1.00 53.48 H new ATOM 0 HB3 SER A 37D 9.432 15.503 19.468 1.00 53.48 H new ATOM 0 HG SER A 37D 10.820 16.143 21.036 1.00 54.99 H new ATOM 212 N VAL A 38 9.546 11.881 21.464 1.00 45.77 N ATOM 213 CA VAL A 38 9.996 10.958 22.495 1.00 40.84 C ATOM 214 C VAL A 38 11.431 10.522 22.196 1.00 38.42 C ATOM 215 O VAL A 38 11.660 9.586 21.433 1.00 39.30 O ATOM 216 CB VAL A 38 9.076 9.717 22.565 1.00 40.31 C ATOM 217 CG1 VAL A 38 9.565 8.761 23.627 1.00 40.84 C ATOM 218 CG2 VAL A 38 7.651 10.135 22.874 1.00 39.92 C ATOM 0 H VAL A 38 9.642 11.582 20.663 1.00 45.77 H new ATOM 0 HA VAL A 38 9.962 11.411 23.352 1.00 40.84 H new ATOM 0 HB VAL A 38 9.097 9.272 21.703 1.00 40.31 H new ATOM 0 HG11 VAL A 38 8.980 7.988 23.661 1.00 40.84 H new ATOM 0 HG12 VAL A 38 10.467 8.475 23.414 1.00 40.84 H new ATOM 0 HG13 VAL A 38 9.562 9.206 24.489 1.00 40.84 H new ATOM 0 HG21 VAL A 38 7.085 9.349 22.915 1.00 39.92 H new ATOM 0 HG22 VAL A 38 7.626 10.596 23.727 1.00 39.92 H new ATOM 0 HG23 VAL A 38 7.329 10.728 22.177 1.00 39.92 H new ATOM 219 N THR A 39 12.396 11.228 22.775 1.00 35.23 N ATOM 220 CA THR A 39 13.807 10.904 22.571 1.00 30.65 C ATOM 221 C THR A 39 14.237 9.762 23.491 1.00 28.87 C ATOM 222 O THR A 39 13.605 9.506 24.519 1.00 27.44 O ATOM 223 CB THR A 39 14.715 12.131 22.828 1.00 30.94 C ATOM 224 OG1 THR A 39 14.667 12.497 24.216 1.00 30.76 O ATOM 225 CG2 THR A 39 14.263 13.308 21.984 1.00 29.49 C ATOM 0 H THR A 39 12.256 11.901 23.292 1.00 35.23 H new ATOM 0 HA THR A 39 13.906 10.632 21.645 1.00 30.65 H new ATOM 0 HB THR A 39 15.624 11.895 22.586 1.00 30.94 H new ATOM 0 HG1 THR A 39 15.261 13.069 24.376 1.00 30.76 H new ATOM 0 HG21 THR A 39 14.840 14.069 22.155 1.00 29.49 H new ATOM 0 HG22 THR A 39 14.311 13.070 21.045 1.00 29.49 H new ATOM 0 HG23 THR A 39 13.349 13.538 22.212 1.00 29.49 H new ATOM 226 N TYR A 40 15.294 9.058 23.097 1.00 27.50 N ATOM 227 CA TYR A 40 15.821 7.944 23.880 1.00 25.12 C ATOM 228 C TYR A 40 16.714 8.524 24.959 1.00 24.32 C ATOM 229 O TYR A 40 17.447 9.482 24.718 1.00 26.10 O ATOM 230 CB TYR A 40 16.620 6.996 22.983 1.00 22.87 C ATOM 231 CG TYR A 40 17.216 5.803 23.691 1.00 20.15 C ATOM 232 CD1 TYR A 40 16.439 4.680 23.985 1.00 22.45 C ATOM 233 CD2 TYR A 40 18.557 5.792 24.072 1.00 19.34 C ATOM 234 CE1 TYR A 40 16.985 3.566 24.646 1.00 15.90 C ATOM 235 CE2 TYR A 40 19.111 4.690 24.731 1.00 19.15 C ATOM 236 CZ TYR A 40 18.316 3.579 25.012 1.00 18.75 C ATOM 237 OH TYR A 40 18.863 2.477 25.635 1.00 21.69 O ATOM 0 H TYR A 40 15.726 9.212 22.369 1.00 27.50 H new ATOM 0 HA TYR A 40 15.096 7.436 24.277 1.00 25.12 H new ATOM 0 HB2 TYR A 40 16.040 6.678 22.273 1.00 22.87 H new ATOM 0 HB3 TYR A 40 17.336 7.497 22.562 1.00 22.87 H new ATOM 0 HD1 TYR A 40 15.542 4.669 23.738 1.00 22.45 H new ATOM 0 HD2 TYR A 40 19.092 6.529 23.885 1.00 19.34 H new ATOM 0 HE1 TYR A 40 16.454 2.826 24.835 1.00 15.90 H new ATOM 0 HE2 TYR A 40 20.007 4.698 24.981 1.00 19.15 H new ATOM 0 HH TYR A 40 18.485 1.781 25.356 1.00 21.69 H new ATOM 238 N VAL A 41 16.638 7.952 26.152 1.00 23.42 N ATOM 239 CA VAL A 41 17.437 8.428 27.269 1.00 22.86 C ATOM 240 C VAL A 41 18.566 7.480 27.621 1.00 19.78 C ATOM 241 O VAL A 41 19.730 7.777 27.371 1.00 20.54 O ATOM 242 CB VAL A 41 16.575 8.644 28.532 1.00 25.11 C ATOM 243 CG1 VAL A 41 17.434 9.142 29.682 1.00 26.50 C ATOM 244 CG2 VAL A 41 15.470 9.629 28.246 1.00 28.19 C ATOM 0 H VAL A 41 16.128 7.284 26.336 1.00 23.42 H new ATOM 0 HA VAL A 41 17.814 9.273 26.977 1.00 22.86 H new ATOM 0 HB VAL A 41 16.181 7.795 28.785 1.00 25.11 H new ATOM 0 HG11 VAL A 41 16.880 9.273 30.467 1.00 26.50 H new ATOM 0 HG12 VAL A 41 18.123 8.488 29.878 1.00 26.50 H new ATOM 0 HG13 VAL A 41 17.849 9.984 29.436 1.00 26.50 H new ATOM 0 HG21 VAL A 41 14.935 9.757 29.045 1.00 28.19 H new ATOM 0 HG22 VAL A 41 15.855 10.477 27.975 1.00 28.19 H new ATOM 0 HG23 VAL A 41 14.908 9.287 27.533 1.00 28.19 H new ATOM 245 N CYS A 42 18.211 6.317 28.156 1.00 16.24 N ATOM 246 CA CYS A 42 19.204 5.346 28.588 1.00 14.23 C ATOM 247 C CYS A 42 18.673 3.936 28.552 1.00 12.94 C ATOM 248 O CYS A 42 17.468 3.727 28.385 1.00 15.15 O ATOM 249 CB CYS A 42 19.617 5.642 30.032 1.00 12.43 C ATOM 250 SG CYS A 42 20.728 7.055 30.241 1.00 15.36 S ATOM 0 H CYS A 42 17.396 6.072 28.277 1.00 16.24 H new ATOM 0 HA CYS A 42 19.954 5.419 27.978 1.00 14.23 H new ATOM 0 HB2 CYS A 42 18.816 5.798 30.557 1.00 12.43 H new ATOM 0 HB3 CYS A 42 20.047 4.854 30.398 1.00 12.43 H new ATOM 251 N GLY A 43 19.581 2.980 28.748 1.00 7.31 N ATOM 252 CA GLY A 43 19.203 1.584 28.785 1.00 8.26 C ATOM 253 C GLY A 43 18.877 1.218 30.221 1.00 13.40 C ATOM 254 O GLY A 43 18.979 2.053 31.127 1.00 12.06 O ATOM 0 H GLY A 43 20.421 3.127 28.861 1.00 7.31 H new ATOM 0 HA2 GLY A 43 18.435 1.426 28.213 1.00 8.26 H new ATOM 0 HA3 GLY A 43 19.925 1.029 28.450 1.00 8.26 H new ATOM 255 N GLY A 44 18.497 -0.037 30.436 1.00 15.20 N ATOM 256 CA GLY A 44 18.157 -0.496 31.766 1.00 12.32 C ATOM 257 C GLY A 44 18.074 -2.002 31.774 1.00 16.55 C ATOM 258 O GLY A 44 18.161 -2.638 30.721 1.00 19.91 O ATOM 0 H GLY A 44 18.431 -0.635 29.822 1.00 15.20 H new ATOM 0 HA2 GLY A 44 18.825 -0.196 32.402 1.00 12.32 H new ATOM 0 HA3 GLY A 44 17.309 -0.114 32.043 1.00 12.32 H new ATOM 259 N SER A 45 17.896 -2.581 32.956 1.00 16.94 N ATOM 260 CA SER A 45 17.811 -4.026 33.079 1.00 18.02 C ATOM 261 C SER A 45 16.668 -4.423 33.999 1.00 18.54 C ATOM 262 O SER A 45 16.537 -3.877 35.100 1.00 18.97 O ATOM 263 CB SER A 45 19.122 -4.579 33.636 1.00 18.53 C ATOM 264 OG SER A 45 20.229 -4.086 32.910 1.00 20.15 O ATOM 0 H SER A 45 17.822 -2.153 33.698 1.00 16.94 H new ATOM 0 HA SER A 45 17.647 -4.396 32.197 1.00 18.02 H new ATOM 0 HB2 SER A 45 19.209 -4.334 34.571 1.00 18.53 H new ATOM 0 HB3 SER A 45 19.111 -5.548 33.597 1.00 18.53 H new ATOM 0 HG SER A 45 20.085 -4.171 32.087 1.00 20.15 H new ATOM 265 N LEU A 46 15.857 -5.380 33.551 1.00 14.54 N ATOM 266 CA LEU A 46 14.735 -5.864 34.336 1.00 13.90 C ATOM 267 C LEU A 46 15.243 -6.834 35.411 1.00 14.12 C ATOM 268 O LEU A 46 15.709 -7.922 35.104 1.00 16.19 O ATOM 269 CB LEU A 46 13.729 -6.566 33.424 1.00 11.66 C ATOM 270 CG LEU A 46 12.363 -6.922 34.024 1.00 12.23 C ATOM 271 CD1 LEU A 46 11.528 -5.672 34.227 1.00 9.03 C ATOM 272 CD2 LEU A 46 11.641 -7.873 33.106 1.00 15.10 C ATOM 0 H LEU A 46 15.945 -5.763 32.786 1.00 14.54 H new ATOM 0 HA LEU A 46 14.295 -5.115 34.767 1.00 13.90 H new ATOM 0 HB2 LEU A 46 13.579 -6.000 32.651 1.00 11.66 H new ATOM 0 HB3 LEU A 46 14.137 -7.384 33.101 1.00 11.66 H new ATOM 0 HG LEU A 46 12.502 -7.344 34.886 1.00 12.23 H new ATOM 0 HD11 LEU A 46 10.669 -5.915 34.606 1.00 9.03 H new ATOM 0 HD12 LEU A 46 11.989 -5.069 34.831 1.00 9.03 H new ATOM 0 HD13 LEU A 46 11.391 -5.232 33.374 1.00 9.03 H new ATOM 0 HD21 LEU A 46 10.777 -8.097 33.486 1.00 15.10 H new ATOM 0 HD22 LEU A 46 11.514 -7.454 32.241 1.00 15.10 H new ATOM 0 HD23 LEU A 46 12.166 -8.681 32.999 1.00 15.10 H new ATOM 273 N ILE A 47 15.178 -6.440 36.675 1.00 15.49 N ATOM 274 CA ILE A 47 15.655 -7.329 37.734 1.00 16.12 C ATOM 275 C ILE A 47 14.522 -8.051 38.449 1.00 15.48 C ATOM 276 O ILE A 47 14.753 -9.003 39.183 1.00 14.72 O ATOM 277 CB ILE A 47 16.520 -6.588 38.780 1.00 15.12 C ATOM 278 CG1 ILE A 47 15.691 -5.555 39.555 1.00 13.42 C ATOM 279 CG2 ILE A 47 17.705 -5.932 38.107 1.00 12.53 C ATOM 280 CD1 ILE A 47 16.379 -5.074 40.826 1.00 7.99 C ATOM 0 H ILE A 47 14.870 -5.682 36.940 1.00 15.49 H new ATOM 0 HA ILE A 47 16.204 -7.987 37.280 1.00 16.12 H new ATOM 0 HB ILE A 47 16.848 -7.239 39.420 1.00 15.12 H new ATOM 0 HG12 ILE A 47 15.514 -4.793 38.981 1.00 13.42 H new ATOM 0 HG13 ILE A 47 14.832 -5.943 39.785 1.00 13.42 H new ATOM 0 HG21 ILE A 47 18.240 -5.471 38.771 1.00 12.53 H new ATOM 0 HG22 ILE A 47 18.245 -6.609 37.671 1.00 12.53 H new ATOM 0 HG23 ILE A 47 17.391 -5.295 37.447 1.00 12.53 H new ATOM 0 HD11 ILE A 47 15.814 -4.426 41.275 1.00 7.99 H new ATOM 0 HD12 ILE A 47 16.535 -5.829 41.415 1.00 7.99 H new ATOM 0 HD13 ILE A 47 17.227 -4.661 40.599 1.00 7.99 H new ATOM 281 N SER A 48 13.301 -7.602 38.189 1.00 17.24 N ATOM 282 CA SER A 48 12.093 -8.153 38.787 1.00 18.72 C ATOM 283 C SER A 48 10.943 -7.719 37.875 1.00 18.56 C ATOM 284 O SER A 48 11.057 -6.725 37.161 1.00 17.33 O ATOM 285 CB SER A 48 11.925 -7.576 40.201 1.00 21.48 C ATOM 286 OG SER A 48 10.602 -7.716 40.684 1.00 27.29 O ATOM 0 H SER A 48 13.148 -6.952 37.647 1.00 17.24 H new ATOM 0 HA SER A 48 12.122 -9.119 38.867 1.00 18.72 H new ATOM 0 HB2 SER A 48 12.537 -8.024 40.806 1.00 21.48 H new ATOM 0 HB3 SER A 48 12.168 -6.637 40.196 1.00 21.48 H new ATOM 0 HG SER A 48 10.550 -7.391 41.457 1.00 27.29 H new ATOM 287 N PRO A 49 9.814 -8.449 37.891 1.00 20.31 N ATOM 288 CA PRO A 49 8.674 -8.093 37.038 1.00 20.90 C ATOM 289 C PRO A 49 8.229 -6.635 37.115 1.00 20.14 C ATOM 290 O PRO A 49 7.737 -6.080 36.130 1.00 20.94 O ATOM 291 CB PRO A 49 7.580 -9.034 37.533 1.00 21.19 C ATOM 292 CG PRO A 49 8.352 -10.233 37.951 1.00 20.00 C ATOM 293 CD PRO A 49 9.478 -9.615 38.728 1.00 18.47 C ATOM 0 HA PRO A 49 8.902 -8.187 36.100 1.00 20.90 H new ATOM 0 HB2 PRO A 49 7.081 -8.651 38.271 1.00 21.19 H new ATOM 0 HB3 PRO A 49 6.940 -9.242 36.835 1.00 21.19 H new ATOM 0 HG2 PRO A 49 7.822 -10.836 38.495 1.00 20.00 H new ATOM 0 HG3 PRO A 49 8.671 -10.744 37.191 1.00 20.00 H new ATOM 0 HD2 PRO A 49 9.204 -9.355 39.622 1.00 18.47 H new ATOM 0 HD3 PRO A 49 10.229 -10.221 38.826 1.00 18.47 H new ATOM 294 N CYS A 50 8.397 -6.022 38.280 1.00 21.93 N ATOM 295 CA CYS A 50 7.982 -4.638 38.473 1.00 19.19 C ATOM 296 C CYS A 50 9.157 -3.683 38.674 1.00 19.18 C ATOM 297 O CYS A 50 8.956 -2.508 38.988 1.00 21.31 O ATOM 298 CB CYS A 50 7.033 -4.545 39.672 1.00 18.57 C ATOM 299 SG CYS A 50 5.719 -5.809 39.703 1.00 21.33 S ATOM 0 H CYS A 50 8.750 -6.390 38.973 1.00 21.93 H new ATOM 0 HA CYS A 50 7.530 -4.364 37.660 1.00 19.19 H new ATOM 0 HB2 CYS A 50 7.554 -4.617 40.487 1.00 18.57 H new ATOM 0 HB3 CYS A 50 6.621 -3.667 39.675 1.00 18.57 H new ATOM 300 N TRP A 51 10.378 -4.172 38.474 1.00 19.46 N ATOM 301 CA TRP A 51 11.560 -3.336 38.670 1.00 17.85 C ATOM 302 C TRP A 51 12.608 -3.370 37.573 1.00 18.45 C ATOM 303 O TRP A 51 13.023 -4.433 37.117 1.00 20.35 O ATOM 304 CB TRP A 51 12.248 -3.682 39.985 1.00 19.02 C ATOM 305 CG TRP A 51 11.452 -3.347 41.179 1.00 20.68 C ATOM 306 CD1 TRP A 51 10.742 -4.212 41.950 1.00 22.73 C ATOM 307 CD2 TRP A 51 11.299 -2.057 41.772 1.00 23.29 C ATOM 308 NE1 TRP A 51 10.157 -3.544 42.998 1.00 25.83 N ATOM 309 CE2 TRP A 51 10.486 -2.217 42.915 1.00 25.01 C ATOM 310 CE3 TRP A 51 11.772 -0.778 41.451 1.00 23.73 C ATOM 311 CZ2 TRP A 51 10.136 -1.145 43.744 1.00 22.90 C ATOM 312 CZ3 TRP A 51 11.421 0.288 42.272 1.00 24.86 C ATOM 313 CH2 TRP A 51 10.611 0.095 43.407 1.00 25.43 C ATOM 0 H TRP A 51 10.544 -4.979 38.227 1.00 19.46 H new ATOM 0 HA TRP A 51 11.196 -2.437 38.664 1.00 17.85 H new ATOM 0 HB2 TRP A 51 12.448 -4.631 39.996 1.00 19.02 H new ATOM 0 HB3 TRP A 51 13.096 -3.213 40.030 1.00 19.02 H new ATOM 0 HD1 TRP A 51 10.663 -5.125 41.791 1.00 22.73 H new ATOM 0 HE1 TRP A 51 9.665 -3.901 43.607 1.00 25.83 H new ATOM 0 HE3 TRP A 51 12.310 -0.645 40.704 1.00 23.73 H new ATOM 0 HZ2 TRP A 51 9.602 -1.270 44.495 1.00 22.90 H new ATOM 0 HZ3 TRP A 51 11.726 1.142 42.068 1.00 24.86 H new ATOM 0 HH2 TRP A 51 10.393 0.825 43.940 1.00 25.43 H new ATOM 314 N VAL A 52 13.083 -2.182 37.216 1.00 18.69 N ATOM 315 CA VAL A 52 14.122 -2.010 36.217 1.00 18.29 C ATOM 316 C VAL A 52 15.200 -1.186 36.921 1.00 20.19 C ATOM 317 O VAL A 52 14.887 -0.245 37.659 1.00 21.10 O ATOM 318 CB VAL A 52 13.615 -1.223 34.985 1.00 19.99 C ATOM 319 CG1 VAL A 52 14.759 -0.960 34.011 1.00 17.97 C ATOM 320 CG2 VAL A 52 12.494 -1.984 34.289 1.00 17.79 C ATOM 0 H VAL A 52 12.804 -1.443 37.555 1.00 18.69 H new ATOM 0 HA VAL A 52 14.435 -2.869 35.891 1.00 18.29 H new ATOM 0 HB VAL A 52 13.267 -0.371 35.290 1.00 19.99 H new ATOM 0 HG11 VAL A 52 14.425 -0.467 33.245 1.00 17.97 H new ATOM 0 HG12 VAL A 52 15.449 -0.441 34.454 1.00 17.97 H new ATOM 0 HG13 VAL A 52 15.132 -1.805 33.713 1.00 17.97 H new ATOM 0 HG21 VAL A 52 12.188 -1.478 33.520 1.00 17.79 H new ATOM 0 HG22 VAL A 52 12.823 -2.849 33.997 1.00 17.79 H new ATOM 0 HG23 VAL A 52 11.757 -2.111 34.906 1.00 17.79 H new ATOM 321 N ILE A 53 16.457 -1.581 36.753 1.00 18.23 N ATOM 322 CA ILE A 53 17.555 -0.854 37.367 1.00 15.78 C ATOM 323 C ILE A 53 18.326 -0.144 36.266 1.00 17.31 C ATOM 324 O ILE A 53 18.511 -0.688 35.169 1.00 15.73 O ATOM 325 CB ILE A 53 18.502 -1.790 38.152 1.00 15.35 C ATOM 326 CG1 ILE A 53 19.486 -0.970 38.980 1.00 14.61 C ATOM 327 CG2 ILE A 53 19.290 -2.684 37.210 1.00 14.59 C ATOM 328 CD1 ILE A 53 20.247 -1.803 39.989 1.00 19.10 C ATOM 0 H ILE A 53 16.693 -2.265 36.288 1.00 18.23 H new ATOM 0 HA ILE A 53 17.192 -0.218 38.003 1.00 15.78 H new ATOM 0 HB ILE A 53 17.955 -2.341 38.733 1.00 15.35 H new ATOM 0 HG12 ILE A 53 20.117 -0.535 38.386 1.00 14.61 H new ATOM 0 HG13 ILE A 53 19.004 -0.268 39.445 1.00 14.61 H new ATOM 0 HG21 ILE A 53 19.876 -3.261 37.725 1.00 14.59 H new ATOM 0 HG22 ILE A 53 18.677 -3.227 36.691 1.00 14.59 H new ATOM 0 HG23 ILE A 53 19.821 -2.136 36.612 1.00 14.59 H new ATOM 0 HD11 ILE A 53 20.856 -1.234 40.486 1.00 19.10 H new ATOM 0 HD12 ILE A 53 19.622 -2.220 40.602 1.00 19.10 H new ATOM 0 HD13 ILE A 53 20.752 -2.490 39.527 1.00 19.10 H new ATOM 329 N SER A 54 18.748 1.081 36.553 1.00 15.62 N ATOM 330 CA SER A 54 19.496 1.858 35.584 1.00 15.24 C ATOM 331 C SER A 54 20.499 2.762 36.289 1.00 14.95 C ATOM 332 O SER A 54 20.988 2.428 37.361 1.00 14.78 O ATOM 333 CB SER A 54 18.542 2.673 34.717 1.00 12.64 C ATOM 334 OG SER A 54 19.229 3.206 33.612 1.00 10.94 O ATOM 0 H SER A 54 18.610 1.478 37.303 1.00 15.62 H new ATOM 0 HA SER A 54 19.990 1.253 35.009 1.00 15.24 H new ATOM 0 HB2 SER A 54 17.811 2.112 34.413 1.00 12.64 H new ATOM 0 HB3 SER A 54 18.151 3.390 35.240 1.00 12.64 H new ATOM 0 HG SER A 54 19.056 2.750 32.928 1.00 10.94 H new ATOM 335 N ALA A 55 20.828 3.890 35.672 1.00 15.69 N ATOM 336 CA ALA A 55 21.786 4.820 36.251 1.00 15.38 C ATOM 337 C ALA A 55 21.103 6.130 36.624 1.00 14.78 C ATOM 338 O ALA A 55 20.335 6.671 35.834 1.00 14.39 O ATOM 339 CB ALA A 55 22.922 5.079 35.261 1.00 14.72 C ATOM 0 H ALA A 55 20.506 4.136 34.914 1.00 15.69 H new ATOM 0 HA ALA A 55 22.153 4.427 37.058 1.00 15.38 H new ATOM 0 HB1 ALA A 55 23.557 5.699 35.652 1.00 14.72 H new ATOM 0 HB2 ALA A 55 23.370 4.243 35.057 1.00 14.72 H new ATOM 0 HB3 ALA A 55 22.560 5.459 34.445 1.00 14.72 H new ATOM 340 N THR A 56 21.376 6.630 37.828 1.00 12.27 N ATOM 341 CA THR A 56 20.793 7.883 38.278 1.00 11.77 C ATOM 342 C THR A 56 21.144 9.056 37.354 1.00 14.80 C ATOM 343 O THR A 56 20.268 9.856 37.017 1.00 15.68 O ATOM 344 CB THR A 56 21.193 8.198 39.751 1.00 15.22 C ATOM 345 OG1 THR A 56 20.260 7.574 40.644 1.00 14.03 O ATOM 346 CG2 THR A 56 21.232 9.711 40.033 1.00 10.25 C ATOM 0 H THR A 56 21.899 6.254 38.398 1.00 12.27 H new ATOM 0 HA THR A 56 19.830 7.769 38.242 1.00 11.77 H new ATOM 0 HB THR A 56 22.086 7.848 39.892 1.00 15.22 H new ATOM 0 HG1 THR A 56 20.507 6.787 40.803 1.00 14.03 H new ATOM 0 HG21 THR A 56 21.484 9.862 40.957 1.00 10.25 H new ATOM 0 HG22 THR A 56 21.881 10.133 39.448 1.00 10.25 H new ATOM 0 HG23 THR A 56 20.355 10.093 39.871 1.00 10.25 H new ATOM 347 N HIS A 57 22.387 9.113 36.872 1.00 17.37 N ATOM 348 CA HIS A 57 22.812 10.223 36.010 1.00 17.84 C ATOM 349 C HIS A 57 21.928 10.432 34.785 1.00 20.77 C ATOM 350 O HIS A 57 21.895 11.522 34.213 1.00 26.24 O ATOM 351 CB HIS A 57 24.290 10.088 35.622 1.00 13.14 C ATOM 352 CG HIS A 57 24.534 9.383 34.322 1.00 15.03 C ATOM 353 ND1 HIS A 57 25.119 8.136 34.253 1.00 12.42 N ATOM 354 CD2 HIS A 57 24.339 9.778 33.041 1.00 12.37 C ATOM 355 CE1 HIS A 57 25.276 7.795 32.988 1.00 12.48 C ATOM 356 NE2 HIS A 57 24.811 8.773 32.232 1.00 14.61 N ATOM 0 H HIS A 57 22.995 8.526 37.029 1.00 17.37 H new ATOM 0 HA HIS A 57 22.705 11.026 36.543 1.00 17.84 H new ATOM 0 HB2 HIS A 57 24.681 10.974 35.574 1.00 13.14 H new ATOM 0 HB3 HIS A 57 24.755 9.611 36.327 1.00 13.14 H new ATOM 0 HD2 HIS A 57 23.957 10.579 32.762 1.00 12.37 H new ATOM 0 HE1 HIS A 57 25.650 7.001 32.681 1.00 12.48 H new ATOM 0 HE2 HIS A 57 24.805 8.780 31.372 1.00 14.61 H new ATOM 357 N CYS A 58 21.194 9.389 34.411 1.00 19.27 N ATOM 358 CA CYS A 58 20.286 9.428 33.273 1.00 19.44 C ATOM 359 C CYS A 58 19.027 10.233 33.550 1.00 22.67 C ATOM 360 O CYS A 58 18.378 10.727 32.624 1.00 24.43 O ATOM 361 CB CYS A 58 19.851 8.010 32.927 1.00 17.19 C ATOM 362 SG CYS A 58 21.162 6.977 32.219 1.00 15.05 S ATOM 0 H CYS A 58 21.210 8.631 34.816 1.00 19.27 H new ATOM 0 HA CYS A 58 20.770 9.850 32.546 1.00 19.44 H new ATOM 0 HB2 CYS A 58 19.514 7.582 33.730 1.00 17.19 H new ATOM 0 HB3 CYS A 58 19.114 8.054 32.298 1.00 17.19 H new ATOM 363 N PHE A 59 18.691 10.369 34.829 1.00 24.48 N ATOM 364 CA PHE A 59 17.470 11.055 35.228 1.00 24.90 C ATOM 365 C PHE A 59 17.621 12.250 36.149 1.00 24.17 C ATOM 366 O PHE A 59 16.708 13.056 36.241 1.00 23.33 O ATOM 367 CB PHE A 59 16.541 10.053 35.905 1.00 25.54 C ATOM 368 CG PHE A 59 16.530 8.703 35.251 1.00 27.02 C ATOM 369 CD1 PHE A 59 15.779 8.476 34.105 1.00 27.33 C ATOM 370 CD2 PHE A 59 17.282 7.656 35.779 1.00 26.32 C ATOM 371 CE1 PHE A 59 15.778 7.223 33.496 1.00 27.25 C ATOM 372 CE2 PHE A 59 17.288 6.399 35.175 1.00 24.36 C ATOM 373 CZ PHE A 59 16.537 6.182 34.036 1.00 26.62 C ATOM 0 H PHE A 59 19.161 10.069 35.484 1.00 24.48 H new ATOM 0 HA PHE A 59 17.119 11.417 34.399 1.00 24.90 H new ATOM 0 HB2 PHE A 59 16.808 9.952 36.832 1.00 25.54 H new ATOM 0 HB3 PHE A 59 15.639 10.410 35.906 1.00 25.54 H new ATOM 0 HD1 PHE A 59 15.273 9.166 33.741 1.00 27.33 H new ATOM 0 HD2 PHE A 59 17.788 7.797 36.546 1.00 26.32 H new ATOM 0 HE1 PHE A 59 15.272 7.079 32.729 1.00 27.25 H new ATOM 0 HE2 PHE A 59 17.796 5.709 35.538 1.00 24.36 H new ATOM 0 HZ PHE A 59 16.537 5.345 33.630 1.00 26.62 H new ATOM 374 N ILE A 60 18.764 12.364 36.818 1.00 26.25 N ATOM 375 CA ILE A 60 19.022 13.440 37.777 1.00 24.53 C ATOM 376 C ILE A 60 18.498 14.844 37.416 1.00 26.62 C ATOM 377 O ILE A 60 17.957 15.532 38.284 1.00 28.58 O ATOM 378 CB ILE A 60 20.529 13.498 38.150 1.00 21.67 C ATOM 379 CG1 ILE A 60 20.751 14.348 39.403 1.00 22.02 C ATOM 380 CG2 ILE A 60 21.332 14.075 37.013 1.00 24.38 C ATOM 381 CD1 ILE A 60 20.127 13.778 40.658 1.00 21.64 C ATOM 0 H ILE A 60 19.420 11.815 36.729 1.00 26.25 H new ATOM 0 HA ILE A 60 18.485 13.188 38.545 1.00 24.53 H new ATOM 0 HB ILE A 60 20.823 12.591 38.327 1.00 21.67 H new ATOM 0 HG12 ILE A 60 21.705 14.452 39.546 1.00 22.02 H new ATOM 0 HG13 ILE A 60 20.390 15.235 39.248 1.00 22.02 H new ATOM 0 HG21 ILE A 60 22.269 14.105 37.261 1.00 24.38 H new ATOM 0 HG22 ILE A 60 21.224 13.519 36.225 1.00 24.38 H new ATOM 0 HG23 ILE A 60 21.021 14.973 36.820 1.00 24.38 H new ATOM 0 HD11 ILE A 60 20.308 14.368 41.406 1.00 21.64 H new ATOM 0 HD12 ILE A 60 19.168 13.698 40.535 1.00 21.64 H new ATOM 0 HD13 ILE A 60 20.504 12.903 40.838 1.00 21.64 H new ATOM 382 N ASP A 60A 18.613 15.246 36.148 1.00 26.97 N ATOM 383 CA ASP A 60A 18.156 16.572 35.704 1.00 30.03 C ATOM 384 C ASP A 60A 16.642 16.699 35.501 1.00 32.05 C ATOM 385 O ASP A 60A 16.089 17.796 35.558 1.00 32.95 O ATOM 386 CB ASP A 60A 18.876 16.994 34.419 1.00 31.66 C ATOM 387 CG ASP A 60A 20.383 17.132 34.601 1.00 37.76 C ATOM 388 OD1 ASP A 60A 20.827 17.673 35.638 1.00 39.84 O ATOM 389 OD2 ASP A 60A 21.129 16.703 33.696 1.00 41.58 O ATOM 0 H ASP A 60A 18.955 14.764 35.523 1.00 26.97 H new ATOM 0 HA ASP A 60A 18.383 17.166 36.436 1.00 30.03 H new ATOM 0 HB2 ASP A 60A 18.697 16.341 33.724 1.00 31.66 H new ATOM 0 HB3 ASP A 60A 18.513 17.840 34.113 1.00 31.66 H new ATOM 390 N TYR A 60B 15.981 15.576 35.241 1.00 34.53 N ATOM 391 CA TYR A 60B 14.539 15.515 35.042 1.00 34.80 C ATOM 392 C TYR A 60B 13.975 14.400 35.929 1.00 34.44 C ATOM 393 O TYR A 60B 13.735 13.286 35.472 1.00 35.86 O ATOM 394 CB TYR A 60B 14.227 15.264 33.558 1.00 38.69 C ATOM 395 CG TYR A 60B 14.780 16.311 32.617 1.00 45.44 C ATOM 396 CD1 TYR A 60B 15.839 16.019 31.752 1.00 47.52 C ATOM 397 CD2 TYR A 60B 14.258 17.606 32.608 1.00 47.05 C ATOM 398 CE1 TYR A 60B 16.365 16.998 30.901 1.00 49.13 C ATOM 399 CE2 TYR A 60B 14.774 18.588 31.768 1.00 48.38 C ATOM 400 CZ TYR A 60B 15.823 18.282 30.919 1.00 50.11 C ATOM 401 OH TYR A 60B 16.325 19.270 30.098 1.00 55.74 O ATOM 0 H TYR A 60B 16.368 14.811 35.174 1.00 34.53 H new ATOM 0 HA TYR A 60B 14.124 16.356 35.290 1.00 34.80 H new ATOM 0 HB2 TYR A 60B 14.584 14.398 33.306 1.00 38.69 H new ATOM 0 HB3 TYR A 60B 13.265 15.219 33.444 1.00 38.69 H new ATOM 0 HD1 TYR A 60B 16.199 15.162 31.742 1.00 47.52 H new ATOM 0 HD2 TYR A 60B 13.551 17.816 33.175 1.00 47.05 H new ATOM 0 HE1 TYR A 60B 17.069 16.794 30.329 1.00 49.13 H new ATOM 0 HE2 TYR A 60B 14.416 19.446 31.777 1.00 48.38 H new ATOM 0 HH TYR A 60B 15.897 19.982 30.222 1.00 55.74 H new ATOM 402 N PRO A 60C 13.787 14.687 37.231 1.00 33.48 N ATOM 403 CA PRO A 60C 13.264 13.727 38.209 1.00 33.31 C ATOM 404 C PRO A 60C 11.802 13.306 38.039 1.00 34.23 C ATOM 405 O PRO A 60C 11.323 12.430 38.762 1.00 37.86 O ATOM 406 CB PRO A 60C 13.484 14.450 39.538 1.00 32.67 C ATOM 407 CG PRO A 60C 14.718 15.250 39.276 1.00 33.28 C ATOM 408 CD PRO A 60C 14.412 15.830 37.921 1.00 30.49 C ATOM 0 HA PRO A 60C 13.718 12.875 38.118 1.00 33.31 H new ATOM 0 HB2 PRO A 60C 12.731 15.015 39.770 1.00 32.67 H new ATOM 0 HB3 PRO A 60C 13.607 13.827 40.271 1.00 32.67 H new ATOM 0 HG2 PRO A 60C 14.857 15.938 39.945 1.00 33.28 H new ATOM 0 HG3 PRO A 60C 15.516 14.699 39.266 1.00 33.28 H new ATOM 0 HD2 PRO A 60C 13.813 16.591 37.979 1.00 30.49 H new ATOM 0 HD3 PRO A 60C 15.213 16.134 37.467 1.00 30.49 H new ATOM 409 N LYS A 61 11.086 13.947 37.121 1.00 32.28 N ATOM 410 CA LYS A 61 9.685 13.612 36.888 1.00 32.40 C ATOM 411 C LYS A 61 9.517 12.220 36.291 1.00 30.13 C ATOM 412 O LYS A 61 10.007 11.939 35.200 1.00 30.88 O ATOM 413 CB LYS A 61 9.025 14.652 35.982 1.00 35.28 C ATOM 414 CG LYS A 61 8.817 16.004 36.644 1.00 35.40 C ATOM 415 CD LYS A 61 8.078 16.968 35.727 1.00 39.56 C ATOM 416 CE LYS A 61 6.719 16.421 35.309 1.00 40.71 C ATOM 417 NZ LYS A 61 5.804 17.506 34.846 1.00 41.13 N ATOM 0 H LYS A 61 11.392 14.578 36.623 1.00 32.28 H new ATOM 0 HA LYS A 61 9.246 13.616 37.753 1.00 32.40 H new ATOM 0 HB2 LYS A 61 9.572 14.771 35.190 1.00 35.28 H new ATOM 0 HB3 LYS A 61 8.166 14.311 35.686 1.00 35.28 H new ATOM 0 HG2 LYS A 61 8.315 15.889 37.466 1.00 35.40 H new ATOM 0 HG3 LYS A 61 9.677 16.382 36.887 1.00 35.40 H new ATOM 0 HD2 LYS A 61 7.960 17.818 36.179 1.00 39.56 H new ATOM 0 HD3 LYS A 61 8.615 17.139 34.937 1.00 39.56 H new ATOM 0 HE2 LYS A 61 6.836 15.771 34.598 1.00 40.71 H new ATOM 0 HE3 LYS A 61 6.314 15.954 36.057 1.00 40.71 H new ATOM 0 HZ1 LYS A 61 5.021 17.154 34.610 1.00 41.13 H new ATOM 0 HZ2 LYS A 61 5.679 18.091 35.505 1.00 41.13 H new ATOM 0 HZ3 LYS A 61 6.165 17.921 34.146 1.00 41.13 H new ATOM 418 N LYS A 62 8.838 11.347 37.027 1.00 28.89 N ATOM 419 CA LYS A 62 8.598 9.981 36.573 1.00 30.45 C ATOM 420 C LYS A 62 7.584 9.914 35.426 1.00 30.05 C ATOM 421 O LYS A 62 7.543 8.930 34.686 1.00 30.40 O ATOM 422 CB LYS A 62 8.130 9.110 37.743 1.00 29.94 C ATOM 423 CG LYS A 62 6.875 9.628 38.434 1.00 33.93 C ATOM 424 CD LYS A 62 6.312 8.628 39.428 1.00 36.53 C ATOM 425 CE LYS A 62 4.918 9.033 39.888 1.00 38.30 C ATOM 426 NZ LYS A 62 4.637 8.502 41.256 1.00 38.69 N ATOM 0 H LYS A 62 8.505 11.528 37.799 1.00 28.89 H new ATOM 0 HA LYS A 62 9.440 9.642 36.231 1.00 30.45 H new ATOM 0 HB2 LYS A 62 7.963 8.211 37.419 1.00 29.94 H new ATOM 0 HB3 LYS A 62 8.845 9.048 38.395 1.00 29.94 H new ATOM 0 HG2 LYS A 62 7.080 10.457 38.893 1.00 33.93 H new ATOM 0 HG3 LYS A 62 6.201 9.832 37.767 1.00 33.93 H new ATOM 0 HD2 LYS A 62 6.278 7.748 39.021 1.00 36.53 H new ATOM 0 HD3 LYS A 62 6.902 8.563 40.195 1.00 36.53 H new ATOM 0 HE2 LYS A 62 4.841 10.000 39.890 1.00 38.30 H new ATOM 0 HE3 LYS A 62 4.256 8.697 39.264 1.00 38.30 H new ATOM 0 HZ1 LYS A 62 3.777 8.621 41.450 1.00 38.69 H new ATOM 0 HZ2 LYS A 62 4.830 7.634 41.283 1.00 38.69 H new ATOM 0 HZ3 LYS A 62 5.137 8.935 41.851 1.00 38.69 H new ATOM 427 N GLU A 62A 6.774 10.961 35.282 1.00 32.39 N ATOM 428 CA GLU A 62A 5.761 11.014 34.226 1.00 34.71 C ATOM 429 C GLU A 62A 6.325 11.254 32.829 1.00 33.25 C ATOM 430 O GLU A 62A 5.665 10.966 31.826 1.00 34.57 O ATOM 431 CB GLU A 62A 4.716 12.094 34.527 1.00 38.86 C ATOM 432 CG GLU A 62A 3.568 11.689 35.462 1.00 47.14 C ATOM 433 CD GLU A 62A 3.436 10.188 35.666 1.00 50.37 C ATOM 434 OE1 GLU A 62A 3.848 9.698 36.739 1.00 51.62 O ATOM 435 OE2 GLU A 62A 2.903 9.500 34.770 1.00 52.27 O ATOM 0 H GLU A 62A 6.794 11.656 35.788 1.00 32.39 H new ATOM 0 HA GLU A 62A 5.356 10.133 34.224 1.00 34.71 H new ATOM 0 HB2 GLU A 62A 5.171 12.857 34.916 1.00 38.86 H new ATOM 0 HB3 GLU A 62A 4.334 12.390 33.686 1.00 38.86 H new ATOM 0 HG2 GLU A 62A 3.701 12.113 36.324 1.00 47.14 H new ATOM 0 HG3 GLU A 62A 2.735 12.032 35.103 1.00 47.14 H new ATOM 436 N ASP A 63 7.521 11.831 32.767 1.00 33.37 N ATOM 437 CA ASP A 63 8.175 12.124 31.494 1.00 31.90 C ATOM 438 C ASP A 63 8.856 10.895 30.887 1.00 29.98 C ATOM 439 O ASP A 63 9.364 10.954 29.763 1.00 27.11 O ATOM 440 CB ASP A 63 9.222 13.235 31.673 1.00 34.91 C ATOM 441 CG ASP A 63 8.606 14.587 32.013 1.00 40.43 C ATOM 442 OD1 ASP A 63 7.455 14.851 31.607 1.00 43.31 O ATOM 443 OD2 ASP A 63 9.283 15.403 32.675 1.00 39.83 O ATOM 0 H ASP A 63 7.976 12.063 33.459 1.00 33.37 H new ATOM 0 HA ASP A 63 7.477 12.413 30.886 1.00 31.90 H new ATOM 0 HB2 ASP A 63 9.839 12.980 32.377 1.00 34.91 H new ATOM 0 HB3 ASP A 63 9.741 13.318 30.858 1.00 34.91 H new ATOM 444 N TYR A 64 8.841 9.779 31.608 1.00 25.27 N ATOM 445 CA TYR A 64 9.505 8.568 31.136 1.00 23.11 C ATOM 446 C TYR A 64 8.625 7.411 30.666 1.00 23.80 C ATOM 447 O TYR A 64 7.522 7.195 31.168 1.00 27.68 O ATOM 448 CB TYR A 64 10.495 8.076 32.192 1.00 21.72 C ATOM 449 CG TYR A 64 11.603 9.065 32.468 1.00 21.06 C ATOM 450 CD1 TYR A 64 11.604 9.837 33.629 1.00 19.79 C ATOM 451 CD2 TYR A 64 12.639 9.248 31.555 1.00 20.84 C ATOM 452 CE1 TYR A 64 12.611 10.770 33.871 1.00 22.40 C ATOM 453 CE2 TYR A 64 13.647 10.175 31.787 1.00 21.63 C ATOM 454 CZ TYR A 64 13.628 10.932 32.944 1.00 21.61 C ATOM 455 OH TYR A 64 14.636 11.841 33.162 1.00 18.16 O ATOM 0 H TYR A 64 8.453 9.701 32.372 1.00 25.27 H new ATOM 0 HA TYR A 64 9.947 8.855 30.322 1.00 23.11 H new ATOM 0 HB2 TYR A 64 10.017 7.895 33.016 1.00 21.72 H new ATOM 0 HB3 TYR A 64 10.883 7.237 31.898 1.00 21.72 H new ATOM 0 HD1 TYR A 64 10.922 9.728 34.252 1.00 19.79 H new ATOM 0 HD2 TYR A 64 12.656 8.740 30.776 1.00 20.84 H new ATOM 0 HE1 TYR A 64 12.600 11.280 34.649 1.00 22.40 H new ATOM 0 HE2 TYR A 64 14.331 10.286 31.167 1.00 21.63 H new ATOM 0 HH TYR A 64 14.497 12.246 33.885 1.00 18.16 H new ATOM 456 N ILE A 65 9.149 6.660 29.701 1.00 23.03 N ATOM 457 CA ILE A 65 8.466 5.499 29.135 1.00 21.93 C ATOM 458 C ILE A 65 9.468 4.347 29.037 1.00 21.21 C ATOM 459 O ILE A 65 10.556 4.508 28.481 1.00 20.48 O ATOM 460 CB ILE A 65 7.905 5.803 27.720 1.00 24.05 C ATOM 461 CG1 ILE A 65 6.774 6.831 27.806 1.00 27.73 C ATOM 462 CG2 ILE A 65 7.394 4.523 27.063 1.00 27.55 C ATOM 463 CD1 ILE A 65 6.214 7.245 26.459 1.00 30.61 C ATOM 0 H ILE A 65 9.920 6.812 29.352 1.00 23.03 H new ATOM 0 HA ILE A 65 7.721 5.266 29.711 1.00 21.93 H new ATOM 0 HB ILE A 65 8.622 6.168 27.179 1.00 24.05 H new ATOM 0 HG12 ILE A 65 6.056 6.464 28.346 1.00 27.73 H new ATOM 0 HG13 ILE A 65 7.100 7.620 28.267 1.00 27.73 H new ATOM 0 HG21 ILE A 65 7.047 4.728 26.181 1.00 27.55 H new ATOM 0 HG22 ILE A 65 8.122 3.887 26.984 1.00 27.55 H new ATOM 0 HG23 ILE A 65 6.688 4.140 27.607 1.00 27.55 H new ATOM 0 HD11 ILE A 65 5.505 7.894 26.589 1.00 30.61 H new ATOM 0 HD12 ILE A 65 6.919 7.640 25.923 1.00 30.61 H new ATOM 0 HD13 ILE A 65 5.859 6.466 26.003 1.00 30.61 H new ATOM 464 N VAL A 66 9.100 3.189 29.578 1.00 18.33 N ATOM 465 CA VAL A 66 9.977 2.020 29.553 1.00 16.89 C ATOM 466 C VAL A 66 9.455 0.917 28.630 1.00 16.28 C ATOM 467 O VAL A 66 8.302 0.492 28.735 1.00 15.59 O ATOM 468 CB VAL A 66 10.186 1.448 30.978 1.00 15.67 C ATOM 469 CG1 VAL A 66 11.083 0.216 30.931 1.00 13.60 C ATOM 470 CG2 VAL A 66 10.797 2.506 31.882 1.00 17.58 C ATOM 0 H VAL A 66 8.344 3.058 29.966 1.00 18.33 H new ATOM 0 HA VAL A 66 10.828 2.326 29.201 1.00 16.89 H new ATOM 0 HB VAL A 66 9.323 1.189 31.337 1.00 15.67 H new ATOM 0 HG11 VAL A 66 11.205 -0.130 31.829 1.00 13.60 H new ATOM 0 HG12 VAL A 66 10.670 -0.464 30.376 1.00 13.60 H new ATOM 0 HG13 VAL A 66 11.945 0.457 30.559 1.00 13.60 H new ATOM 0 HG21 VAL A 66 10.924 2.139 32.771 1.00 17.58 H new ATOM 0 HG22 VAL A 66 11.654 2.784 31.522 1.00 17.58 H new ATOM 0 HG23 VAL A 66 10.204 3.272 31.931 1.00 17.58 H new ATOM 471 N TYR A 67 10.321 0.459 27.731 1.00 16.51 N ATOM 472 CA TYR A 67 9.977 -0.597 26.785 1.00 17.76 C ATOM 473 C TYR A 67 10.710 -1.902 27.077 1.00 16.63 C ATOM 474 O TYR A 67 11.896 -1.900 27.415 1.00 18.16 O ATOM 475 CB TYR A 67 10.281 -0.148 25.353 1.00 19.27 C ATOM 476 CG TYR A 67 9.183 0.668 24.713 1.00 16.91 C ATOM 477 CD1 TYR A 67 8.054 0.048 24.181 1.00 20.22 C ATOM 478 CD2 TYR A 67 9.273 2.056 24.631 1.00 19.19 C ATOM 479 CE1 TYR A 67 7.039 0.790 23.582 1.00 18.48 C ATOM 480 CE2 TYR A 67 8.262 2.808 24.033 1.00 19.54 C ATOM 481 CZ TYR A 67 7.149 2.167 23.512 1.00 19.13 C ATOM 482 OH TYR A 67 6.142 2.901 22.930 1.00 22.38 O ATOM 0 H TYR A 67 11.126 0.752 27.652 1.00 16.51 H new ATOM 0 HA TYR A 67 9.027 -0.765 26.884 1.00 17.76 H new ATOM 0 HB2 TYR A 67 11.099 0.374 25.355 1.00 19.27 H new ATOM 0 HB3 TYR A 67 10.447 -0.933 24.807 1.00 19.27 H new ATOM 0 HD1 TYR A 67 7.977 -0.878 24.227 1.00 20.22 H new ATOM 0 HD2 TYR A 67 10.019 2.488 24.980 1.00 19.19 H new ATOM 0 HE1 TYR A 67 6.292 0.362 23.231 1.00 18.48 H new ATOM 0 HE2 TYR A 67 8.334 3.734 23.984 1.00 19.54 H new ATOM 0 HH TYR A 67 6.339 3.717 22.957 1.00 22.38 H new ATOM 483 N LEU A 68 9.990 -3.014 26.957 1.00 13.37 N ATOM 484 CA LEU A 68 10.561 -4.337 27.183 1.00 15.48 C ATOM 485 C LEU A 68 10.270 -5.233 25.985 1.00 16.27 C ATOM 486 O LEU A 68 9.148 -5.257 25.475 1.00 18.40 O ATOM 487 CB LEU A 68 9.994 -4.964 28.459 1.00 14.64 C ATOM 488 CG LEU A 68 10.416 -4.329 29.786 1.00 15.49 C ATOM 489 CD1 LEU A 68 9.680 -4.997 30.933 1.00 17.02 C ATOM 490 CD2 LEU A 68 11.921 -4.452 29.971 1.00 18.20 C ATOM 0 H LEU A 68 9.157 -3.022 26.742 1.00 13.37 H new ATOM 0 HA LEU A 68 11.521 -4.246 27.291 1.00 15.48 H new ATOM 0 HB2 LEU A 68 9.026 -4.936 28.405 1.00 14.64 H new ATOM 0 HB3 LEU A 68 10.251 -5.899 28.476 1.00 14.64 H new ATOM 0 HG LEU A 68 10.186 -3.387 29.776 1.00 15.49 H new ATOM 0 HD11 LEU A 68 9.951 -4.591 31.771 1.00 17.02 H new ATOM 0 HD12 LEU A 68 8.724 -4.884 30.814 1.00 17.02 H new ATOM 0 HD13 LEU A 68 9.894 -5.943 30.948 1.00 17.02 H new ATOM 0 HD21 LEU A 68 12.178 -4.047 30.814 1.00 18.20 H new ATOM 0 HD22 LEU A 68 12.171 -5.389 29.974 1.00 18.20 H new ATOM 0 HD23 LEU A 68 12.375 -3.999 29.243 1.00 18.20 H new ATOM 491 N GLY A 69 11.278 -5.988 25.560 1.00 17.95 N ATOM 492 CA GLY A 69 11.117 -6.857 24.409 1.00 20.80 C ATOM 493 C GLY A 69 11.152 -6.036 23.135 1.00 23.96 C ATOM 494 O GLY A 69 10.493 -6.363 22.147 1.00 25.43 O ATOM 0 H GLY A 69 12.057 -6.010 25.924 1.00 17.95 H new ATOM 0 HA2 GLY A 69 11.823 -7.522 24.394 1.00 20.80 H new ATOM 0 HA3 GLY A 69 10.276 -7.337 24.471 1.00 20.80 H new ATOM 495 N ARG A 70 11.936 -4.964 23.164 1.00 25.40 N ATOM 496 CA ARG A 70 12.070 -4.067 22.025 1.00 25.89 C ATOM 497 C ARG A 70 13.484 -4.138 21.459 1.00 27.69 C ATOM 498 O ARG A 70 14.459 -3.851 22.149 1.00 27.48 O ATOM 499 CB ARG A 70 11.743 -2.637 22.456 1.00 25.59 C ATOM 500 CG ARG A 70 11.668 -1.625 21.328 1.00 23.97 C ATOM 501 CD ARG A 70 11.083 -0.334 21.861 1.00 25.40 C ATOM 502 NE ARG A 70 10.896 0.695 20.845 1.00 27.02 N ATOM 503 CZ ARG A 70 9.718 1.075 20.366 1.00 28.50 C ATOM 504 NH1 ARG A 70 8.600 0.510 20.795 1.00 29.51 N ATOM 505 NH2 ARG A 70 9.655 2.051 19.474 1.00 34.14 N ATOM 0 H ARG A 70 12.406 -4.737 23.847 1.00 25.40 H new ATOM 0 HA ARG A 70 11.448 -4.340 21.332 1.00 25.89 H new ATOM 0 HB2 ARG A 70 10.894 -2.642 22.924 1.00 25.59 H new ATOM 0 HB3 ARG A 70 12.415 -2.344 23.091 1.00 25.59 H new ATOM 0 HG2 ARG A 70 12.552 -1.466 20.961 1.00 23.97 H new ATOM 0 HG3 ARG A 70 11.119 -1.968 20.606 1.00 23.97 H new ATOM 0 HD2 ARG A 70 10.228 -0.524 22.277 1.00 25.40 H new ATOM 0 HD3 ARG A 70 11.665 0.012 22.555 1.00 25.40 H new ATOM 0 HE ARG A 70 11.598 1.083 20.534 1.00 27.02 H new ATOM 0 HH11 ARG A 70 8.632 -0.110 21.390 1.00 29.51 H new ATOM 0 HH12 ARG A 70 7.841 0.763 20.479 1.00 29.51 H new ATOM 0 HH21 ARG A 70 10.376 2.437 19.207 1.00 34.14 H new ATOM 0 HH22 ARG A 70 8.893 2.300 19.162 1.00 34.14 H new ATOM 506 N SER A 71 13.577 -4.504 20.181 1.00 28.53 N ATOM 507 CA SER A 71 14.858 -4.603 19.488 1.00 27.57 C ATOM 508 C SER A 71 15.213 -3.351 18.707 1.00 26.69 C ATOM 509 O SER A 71 16.362 -3.165 18.336 1.00 29.08 O ATOM 510 CB SER A 71 14.846 -5.771 18.502 1.00 26.74 C ATOM 511 OG SER A 71 15.032 -7.005 19.152 1.00 29.69 O ATOM 0 H SER A 71 12.898 -4.702 19.692 1.00 28.53 H new ATOM 0 HA SER A 71 15.520 -4.734 20.184 1.00 27.57 H new ATOM 0 HB2 SER A 71 14.003 -5.781 18.023 1.00 26.74 H new ATOM 0 HB3 SER A 71 15.545 -5.644 17.842 1.00 26.74 H new ATOM 0 HG SER A 71 14.368 -7.168 19.639 1.00 29.69 H new ATOM 512 N ARG A 72 14.235 -2.494 18.446 1.00 28.88 N ATOM 513 CA ARG A 72 14.491 -1.303 17.649 1.00 29.09 C ATOM 514 C ARG A 72 14.238 0.024 18.339 1.00 31.70 C ATOM 515 O ARG A 72 13.320 0.158 19.146 1.00 34.59 O ATOM 516 CB ARG A 72 13.700 -1.382 16.345 1.00 30.34 C ATOM 517 CG ARG A 72 14.452 -2.074 15.206 1.00 30.36 C ATOM 518 CD ARG A 72 13.627 -2.089 13.931 1.00 31.59 C ATOM 519 NE ARG A 72 14.454 -1.942 12.737 1.00 32.40 N ATOM 520 CZ ARG A 72 14.496 -0.847 11.983 1.00 32.90 C ATOM 521 NH1 ARG A 72 14.348 -0.932 10.668 1.00 33.22 N ATOM 522 NH2 ARG A 72 14.683 0.339 12.547 1.00 33.22 N ATOM 0 H ARG A 72 13.424 -2.582 18.718 1.00 28.88 H new ATOM 0 HA ARG A 72 15.447 -1.308 17.484 1.00 29.09 H new ATOM 0 HB2 ARG A 72 12.870 -1.857 16.508 1.00 30.34 H new ATOM 0 HB3 ARG A 72 13.463 -0.484 16.066 1.00 30.34 H new ATOM 0 HG2 ARG A 72 15.292 -1.617 15.045 1.00 30.36 H new ATOM 0 HG3 ARG A 72 14.669 -2.983 15.464 1.00 30.36 H new ATOM 0 HD2 ARG A 72 13.131 -2.921 13.878 1.00 31.59 H new ATOM 0 HD3 ARG A 72 12.975 -1.371 13.961 1.00 31.59 H new ATOM 0 HE ARG A 72 14.947 -2.608 12.506 1.00 32.40 H new ATOM 0 HH11 ARG A 72 14.224 -1.698 10.298 1.00 33.22 H new ATOM 0 HH12 ARG A 72 14.376 -0.221 10.185 1.00 33.22 H new ATOM 0 HH21 ARG A 72 14.777 0.400 13.400 1.00 33.22 H new ATOM 0 HH22 ARG A 72 14.710 1.047 12.060 1.00 33.22 H new ATOM 523 N LEU A 73 15.048 1.013 17.980 1.00 31.44 N ATOM 524 CA LEU A 73 14.957 2.354 18.546 1.00 31.36 C ATOM 525 C LEU A 73 13.659 3.093 18.249 1.00 33.03 C ATOM 526 O LEU A 73 12.943 3.497 19.168 1.00 31.39 O ATOM 527 CB LEU A 73 16.107 3.215 18.030 1.00 30.42 C ATOM 528 CG LEU A 73 16.967 3.962 19.043 1.00 31.82 C ATOM 529 CD1 LEU A 73 17.694 5.070 18.311 1.00 32.86 C ATOM 530 CD2 LEU A 73 16.120 4.545 20.153 1.00 32.95 C ATOM 0 H LEU A 73 15.672 0.924 17.395 1.00 31.44 H new ATOM 0 HA LEU A 73 14.995 2.219 19.506 1.00 31.36 H new ATOM 0 HB2 LEU A 73 16.693 2.643 17.510 1.00 30.42 H new ATOM 0 HB3 LEU A 73 15.734 3.870 17.419 1.00 30.42 H new ATOM 0 HG LEU A 73 17.598 3.347 19.449 1.00 31.82 H new ATOM 0 HD11 LEU A 73 18.249 5.561 18.936 1.00 32.86 H new ATOM 0 HD12 LEU A 73 18.252 4.687 17.616 1.00 32.86 H new ATOM 0 HD13 LEU A 73 17.047 5.673 17.911 1.00 32.86 H new ATOM 0 HD21 LEU A 73 16.690 5.014 20.783 1.00 32.95 H new ATOM 0 HD22 LEU A 73 15.475 5.165 19.777 1.00 32.95 H new ATOM 0 HD23 LEU A 73 15.651 3.830 20.612 1.00 32.95 H new ATOM 531 N ASN A 74 13.373 3.283 16.962 1.00 34.43 N ATOM 532 CA ASN A 74 12.194 4.029 16.537 1.00 37.27 C ATOM 533 C ASN A 74 11.009 3.229 16.010 1.00 37.79 C ATOM 534 O ASN A 74 10.061 3.805 15.471 1.00 38.79 O ATOM 535 CB ASN A 74 12.599 5.093 15.513 1.00 41.54 C ATOM 536 CG ASN A 74 13.703 6.005 16.023 1.00 46.45 C ATOM 537 OD1 ASN A 74 13.637 6.511 17.144 1.00 50.92 O ATOM 538 ND2 ASN A 74 14.731 6.210 15.204 1.00 48.19 N ATOM 0 H ASN A 74 13.855 2.984 16.315 1.00 34.43 H new ATOM 0 HA ASN A 74 11.858 4.418 17.360 1.00 37.27 H new ATOM 0 HB2 ASN A 74 12.895 4.657 14.698 1.00 41.54 H new ATOM 0 HB3 ASN A 74 11.823 5.628 15.283 1.00 41.54 H new ATOM 0 HD21 ASN A 74 15.384 6.713 15.451 1.00 48.19 H new ATOM 0 HD22 ASN A 74 14.743 5.840 14.428 1.00 48.19 H new ATOM 539 N SER A 75 11.039 1.913 16.171 1.00 37.96 N ATOM 540 CA SER A 75 9.926 1.101 15.699 1.00 39.36 C ATOM 541 C SER A 75 9.522 -0.017 16.651 1.00 38.87 C ATOM 542 O SER A 75 10.264 -0.385 17.565 1.00 38.63 O ATOM 543 CB SER A 75 10.201 0.552 14.291 1.00 40.92 C ATOM 544 OG SER A 75 11.491 -0.024 14.194 1.00 45.51 O ATOM 0 H SER A 75 11.680 1.477 16.543 1.00 37.96 H new ATOM 0 HA SER A 75 9.164 1.701 15.662 1.00 39.36 H new ATOM 0 HB2 SER A 75 9.532 -0.114 14.067 1.00 40.92 H new ATOM 0 HB3 SER A 75 10.117 1.268 13.642 1.00 40.92 H new ATOM 0 HG SER A 75 11.990 0.481 13.745 1.00 45.51 H new ATOM 545 N ASN A 76 8.322 -0.534 16.424 1.00 38.12 N ATOM 546 CA ASN A 76 7.750 -1.599 17.230 1.00 37.73 C ATOM 547 C ASN A 76 8.364 -2.962 16.945 1.00 36.46 C ATOM 548 O ASN A 76 8.929 -3.203 15.876 1.00 35.82 O ATOM 549 CB ASN A 76 6.245 -1.671 16.982 1.00 39.91 C ATOM 550 CG ASN A 76 5.594 -0.301 16.968 1.00 45.17 C ATOM 551 OD1 ASN A 76 5.153 0.199 18.001 1.00 48.55 O ATOM 552 ND2 ASN A 76 5.541 0.320 15.791 1.00 49.30 N ATOM 0 H ASN A 76 7.809 -0.270 15.786 1.00 38.12 H new ATOM 0 HA ASN A 76 7.943 -1.384 18.156 1.00 37.73 H new ATOM 0 HB2 ASN A 76 6.080 -2.113 16.134 1.00 39.91 H new ATOM 0 HB3 ASN A 76 5.832 -2.215 17.671 1.00 39.91 H new ATOM 0 HD21 ASN A 76 5.188 1.102 15.733 1.00 49.30 H new ATOM 0 HD22 ASN A 76 5.860 -0.061 15.089 1.00 49.30 H new ATOM 553 N THR A 77 8.271 -3.840 17.936 1.00 34.21 N ATOM 554 CA THR A 77 8.762 -5.206 17.835 1.00 35.13 C ATOM 555 C THR A 77 7.616 -6.075 18.342 1.00 38.38 C ATOM 556 O THR A 77 6.986 -5.747 19.346 1.00 41.93 O ATOM 557 CB THR A 77 9.997 -5.456 18.737 1.00 34.95 C ATOM 558 OG1 THR A 77 11.064 -4.555 18.393 1.00 32.37 O ATOM 559 CG2 THR A 77 10.476 -6.897 18.572 1.00 32.36 C ATOM 0 H THR A 77 7.915 -3.655 18.697 1.00 34.21 H new ATOM 0 HA THR A 77 9.032 -5.398 16.924 1.00 35.13 H new ATOM 0 HB THR A 77 9.740 -5.302 19.660 1.00 34.95 H new ATOM 0 HG1 THR A 77 11.687 -4.984 18.028 1.00 32.37 H new ATOM 0 HG21 THR A 77 11.249 -7.048 19.138 1.00 32.36 H new ATOM 0 HG22 THR A 77 9.765 -7.506 18.827 1.00 32.36 H new ATOM 0 HG23 THR A 77 10.719 -7.053 17.646 1.00 32.36 H new ATOM 560 N GLN A 78 7.314 -7.160 17.638 1.00 38.91 N ATOM 561 CA GLN A 78 6.231 -8.035 18.071 1.00 38.83 C ATOM 562 C GLN A 78 6.499 -8.592 19.470 1.00 37.77 C ATOM 563 O GLN A 78 7.571 -9.140 19.740 1.00 35.84 O ATOM 564 CB GLN A 78 6.003 -9.167 17.063 1.00 37.63 C ATOM 565 CG GLN A 78 7.228 -10.012 16.750 0.00 38.31 C ATOM 566 CD GLN A 78 6.923 -11.139 15.780 0.00 38.29 C ATOM 567 OE1 GLN A 78 6.100 -10.992 14.875 0.00 38.43 O ATOM 568 NE2 GLN A 78 7.588 -12.274 15.965 0.00 38.43 N ATOM 0 H GLN A 78 7.716 -7.405 16.918 1.00 38.91 H new ATOM 0 HA GLN A 78 5.420 -7.505 18.113 1.00 38.83 H new ATOM 0 HB2 GLN A 78 5.305 -9.748 17.404 1.00 37.63 H new ATOM 0 HB3 GLN A 78 5.673 -8.783 16.236 1.00 37.63 H new ATOM 0 HG2 GLN A 78 7.921 -9.446 16.376 0.00 38.31 H new ATOM 0 HG3 GLN A 78 7.580 -10.384 17.574 0.00 38.31 H new ATOM 0 HE21 GLN A 78 8.155 -12.340 16.608 0.00 38.43 H new ATOM 0 HE22 GLN A 78 7.451 -12.943 15.442 0.00 38.43 H new ATOM 569 N GLY A 79 5.522 -8.426 20.357 1.00 37.49 N ATOM 570 CA GLY A 79 5.659 -8.907 21.720 1.00 35.74 C ATOM 571 C GLY A 79 6.195 -7.890 22.713 1.00 34.64 C ATOM 572 O GLY A 79 6.308 -8.192 23.903 1.00 35.31 O ATOM 0 H GLY A 79 4.774 -8.037 20.186 1.00 37.49 H new ATOM 0 HA2 GLY A 79 4.792 -9.213 22.029 1.00 35.74 H new ATOM 0 HA3 GLY A 79 6.248 -9.678 21.718 1.00 35.74 H new ATOM 573 N GLU A 80 6.521 -6.691 22.236 1.00 32.38 N ATOM 574 CA GLU A 80 7.052 -5.634 23.096 1.00 29.86 C ATOM 575 C GLU A 80 6.007 -5.109 24.079 1.00 29.41 C ATOM 576 O GLU A 80 4.803 -5.157 23.812 1.00 31.92 O ATOM 577 CB GLU A 80 7.597 -4.471 22.255 1.00 28.72 C ATOM 578 CG GLU A 80 6.534 -3.659 21.516 1.00 28.67 C ATOM 579 CD GLU A 80 7.068 -2.358 20.935 1.00 31.06 C ATOM 580 OE1 GLU A 80 8.286 -2.261 20.672 1.00 31.10 O ATOM 581 OE2 GLU A 80 6.263 -1.422 20.744 1.00 30.68 O ATOM 0 H GLU A 80 6.441 -6.467 21.409 1.00 32.38 H new ATOM 0 HA GLU A 80 7.774 -6.029 23.610 1.00 29.86 H new ATOM 0 HB2 GLU A 80 8.095 -3.875 22.836 1.00 28.72 H new ATOM 0 HB3 GLU A 80 8.225 -4.825 21.606 1.00 28.72 H new ATOM 0 HG2 GLU A 80 6.164 -4.198 20.800 1.00 28.67 H new ATOM 0 HG3 GLU A 80 5.806 -3.459 22.126 1.00 28.67 H new ATOM 582 N MET A 81 6.477 -4.626 25.225 1.00 27.43 N ATOM 583 CA MET A 81 5.593 -4.076 26.244 1.00 30.18 C ATOM 584 C MET A 81 5.979 -2.661 26.650 1.00 27.53 C ATOM 585 O MET A 81 7.147 -2.364 26.897 1.00 25.10 O ATOM 586 CB MET A 81 5.535 -4.992 27.468 1.00 32.97 C ATOM 587 CG MET A 81 4.620 -6.194 27.272 1.00 41.08 C ATOM 588 SD MET A 81 3.061 -5.705 26.510 1.00 52.22 S ATOM 589 CE MET A 81 2.777 -7.085 25.416 1.00 48.89 C ATOM 0 H MET A 81 7.312 -4.608 25.432 1.00 27.43 H new ATOM 0 HA MET A 81 4.708 -4.026 25.849 1.00 30.18 H new ATOM 0 HB2 MET A 81 6.430 -5.304 27.674 1.00 32.97 H new ATOM 0 HB3 MET A 81 5.229 -4.481 28.234 1.00 32.97 H new ATOM 0 HG2 MET A 81 5.063 -6.854 26.715 1.00 41.08 H new ATOM 0 HG3 MET A 81 4.447 -6.615 28.128 1.00 41.08 H new ATOM 0 HE1 MET A 81 2.001 -6.905 24.863 1.00 48.89 H new ATOM 0 HE2 MET A 81 3.554 -7.214 24.850 1.00 48.89 H new ATOM 0 HE3 MET A 81 2.622 -7.887 25.940 1.00 48.89 H new ATOM 590 N LYS A 82 4.972 -1.798 26.719 1.00 26.04 N ATOM 591 CA LYS A 82 5.140 -0.393 27.070 1.00 26.14 C ATOM 592 C LYS A 82 4.749 -0.166 28.532 1.00 22.70 C ATOM 593 O LYS A 82 3.705 -0.643 28.981 1.00 25.67 O ATOM 594 CB LYS A 82 4.260 0.440 26.138 1.00 28.18 C ATOM 595 CG LYS A 82 4.336 1.941 26.304 1.00 28.54 C ATOM 596 CD LYS A 82 3.326 2.592 25.377 1.00 29.77 C ATOM 597 CE LYS A 82 3.262 4.094 25.558 1.00 29.94 C ATOM 598 NZ LYS A 82 2.121 4.669 24.790 1.00 33.56 N ATOM 0 H LYS A 82 4.156 -2.017 26.560 1.00 26.04 H new ATOM 0 HA LYS A 82 6.067 -0.128 26.967 1.00 26.14 H new ATOM 0 HB2 LYS A 82 4.496 0.223 25.223 1.00 28.18 H new ATOM 0 HB3 LYS A 82 3.338 0.166 26.265 1.00 28.18 H new ATOM 0 HG2 LYS A 82 4.153 2.186 27.224 1.00 28.54 H new ATOM 0 HG3 LYS A 82 5.230 2.256 26.099 1.00 28.54 H new ATOM 0 HD2 LYS A 82 3.557 2.389 24.457 1.00 29.77 H new ATOM 0 HD3 LYS A 82 2.449 2.211 25.540 1.00 29.77 H new ATOM 0 HE2 LYS A 82 3.164 4.307 26.499 1.00 29.94 H new ATOM 0 HE3 LYS A 82 4.093 4.496 25.261 1.00 29.94 H new ATOM 0 HZ1 LYS A 82 2.027 5.529 24.998 1.00 33.56 H new ATOM 0 HZ2 LYS A 82 2.280 4.590 23.918 1.00 33.56 H new ATOM 0 HZ3 LYS A 82 1.374 4.231 24.995 1.00 33.56 H new ATOM 599 N PHE A 83 5.585 0.562 29.268 1.00 21.62 N ATOM 600 CA PHE A 83 5.323 0.825 30.683 1.00 20.76 C ATOM 601 C PHE A 83 5.488 2.278 31.112 1.00 20.48 C ATOM 602 O PHE A 83 6.205 3.058 30.482 1.00 19.31 O ATOM 603 CB PHE A 83 6.244 -0.021 31.568 1.00 20.16 C ATOM 604 CG PHE A 83 6.015 -1.498 31.461 1.00 21.79 C ATOM 605 CD1 PHE A 83 5.124 -2.140 32.314 1.00 18.80 C ATOM 606 CD2 PHE A 83 6.711 -2.253 30.526 1.00 18.99 C ATOM 607 CE1 PHE A 83 4.932 -3.516 32.236 1.00 19.48 C ATOM 608 CE2 PHE A 83 6.526 -3.626 30.441 1.00 19.69 C ATOM 609 CZ PHE A 83 5.635 -4.260 31.297 1.00 18.66 C ATOM 0 H PHE A 83 6.310 0.913 28.968 1.00 21.62 H new ATOM 0 HA PHE A 83 4.388 0.592 30.797 1.00 20.76 H new ATOM 0 HB2 PHE A 83 7.166 0.171 31.334 1.00 20.16 H new ATOM 0 HB3 PHE A 83 6.124 0.248 32.492 1.00 20.16 H new ATOM 0 HD1 PHE A 83 4.651 -1.644 32.943 1.00 18.80 H new ATOM 0 HD2 PHE A 83 7.308 -1.834 29.950 1.00 18.99 H new ATOM 0 HE1 PHE A 83 4.334 -3.937 32.811 1.00 19.48 H new ATOM 0 HE2 PHE A 83 6.998 -4.121 29.811 1.00 19.69 H new ATOM 0 HZ PHE A 83 5.509 -5.180 31.242 1.00 18.66 H new ATOM 610 N GLU A 84 4.824 2.611 32.214 1.00 23.05 N ATOM 611 CA GLU A 84 4.909 3.933 32.822 1.00 25.02 C ATOM 612 C GLU A 84 5.788 3.733 34.056 1.00 24.02 C ATOM 613 O GLU A 84 5.956 2.605 34.527 1.00 24.44 O ATOM 614 CB GLU A 84 3.524 4.420 33.261 1.00 29.83 C ATOM 615 CG GLU A 84 2.478 4.467 32.154 1.00 40.55 C ATOM 616 CD GLU A 84 2.223 5.872 31.639 1.00 45.26 C ATOM 617 OE1 GLU A 84 1.903 6.766 32.452 1.00 50.79 O ATOM 618 OE2 GLU A 84 2.330 6.081 30.412 1.00 46.02 O ATOM 0 H GLU A 84 4.305 2.069 32.634 1.00 23.05 H new ATOM 0 HA GLU A 84 5.263 4.591 32.203 1.00 25.02 H new ATOM 0 HB2 GLU A 84 3.201 3.840 33.968 1.00 29.83 H new ATOM 0 HB3 GLU A 84 3.614 5.308 33.641 1.00 29.83 H new ATOM 0 HG2 GLU A 84 2.768 3.906 31.418 1.00 40.55 H new ATOM 0 HG3 GLU A 84 1.646 4.093 32.485 1.00 40.55 H new ATOM 619 N VAL A 85 6.383 4.808 34.558 1.00 23.35 N ATOM 620 CA VAL A 85 7.220 4.701 35.747 1.00 22.46 C ATOM 621 C VAL A 85 6.387 5.045 36.974 1.00 21.23 C ATOM 622 O VAL A 85 6.090 6.206 37.214 1.00 21.49 O ATOM 623 CB VAL A 85 8.443 5.638 35.672 1.00 21.29 C ATOM 624 CG1 VAL A 85 9.253 5.550 36.955 1.00 21.88 C ATOM 625 CG2 VAL A 85 9.310 5.267 34.489 1.00 17.95 C ATOM 0 H VAL A 85 6.317 5.600 34.230 1.00 23.35 H new ATOM 0 HA VAL A 85 7.550 3.791 35.805 1.00 22.46 H new ATOM 0 HB VAL A 85 8.130 6.549 35.561 1.00 21.29 H new ATOM 0 HG11 VAL A 85 10.018 6.143 36.896 1.00 21.88 H new ATOM 0 HG12 VAL A 85 8.699 5.812 37.707 1.00 21.88 H new ATOM 0 HG13 VAL A 85 9.560 4.639 37.082 1.00 21.88 H new ATOM 0 HG21 VAL A 85 10.076 5.861 34.450 1.00 17.95 H new ATOM 0 HG22 VAL A 85 9.616 4.352 34.586 1.00 17.95 H new ATOM 0 HG23 VAL A 85 8.795 5.350 33.671 1.00 17.95 H new ATOM 626 N GLU A 86 6.010 4.025 37.737 1.00 24.88 N ATOM 627 CA GLU A 86 5.205 4.188 38.945 1.00 26.79 C ATOM 628 C GLU A 86 5.991 4.874 40.049 1.00 27.30 C ATOM 629 O GLU A 86 5.427 5.588 40.881 1.00 27.55 O ATOM 630 CB GLU A 86 4.698 2.827 39.441 1.00 31.75 C ATOM 631 CG GLU A 86 3.819 2.897 40.701 1.00 40.40 C ATOM 632 CD GLU A 86 3.132 1.576 41.046 1.00 46.80 C ATOM 633 OE1 GLU A 86 3.610 0.504 40.605 1.00 49.83 O ATOM 634 OE2 GLU A 86 2.102 1.613 41.761 1.00 46.93 O ATOM 0 H GLU A 86 6.217 3.208 37.567 1.00 24.88 H new ATOM 0 HA GLU A 86 4.448 4.749 38.716 1.00 26.79 H new ATOM 0 HB2 GLU A 86 4.192 2.404 38.730 1.00 31.75 H new ATOM 0 HB3 GLU A 86 5.461 2.257 39.624 1.00 31.75 H new ATOM 0 HG2 GLU A 86 4.367 3.173 41.452 1.00 40.40 H new ATOM 0 HG3 GLU A 86 3.143 3.581 40.576 1.00 40.40 H new ATOM 635 N ASN A 87 7.301 4.664 40.042 1.00 27.79 N ATOM 636 CA ASN A 87 8.169 5.257 41.042 1.00 27.11 C ATOM 637 C ASN A 87 9.611 5.296 40.544 1.00 25.05 C ATOM 638 O ASN A 87 10.146 4.290 40.061 1.00 25.39 O ATOM 639 CB ASN A 87 8.078 4.464 42.356 1.00 26.76 C ATOM 640 CG ASN A 87 8.762 5.169 43.522 1.00 35.09 C ATOM 641 OD1 ASN A 87 8.970 4.571 44.580 1.00 32.61 O ATOM 642 ND2 ASN A 87 9.111 6.447 43.336 1.00 36.92 N ATOM 0 H ASN A 87 7.707 4.177 39.461 1.00 27.79 H new ATOM 0 HA ASN A 87 7.878 6.168 41.205 1.00 27.11 H new ATOM 0 HB2 ASN A 87 7.145 4.316 42.576 1.00 26.76 H new ATOM 0 HB3 ASN A 87 8.481 3.591 42.230 1.00 26.76 H new ATOM 0 HD21 ASN A 87 9.497 6.884 43.969 1.00 36.92 H new ATOM 0 HD22 ASN A 87 8.950 6.832 42.584 1.00 36.92 H new ATOM 643 N LEU A 88 10.203 6.484 40.604 1.00 21.89 N ATOM 644 CA LEU A 88 11.580 6.699 40.182 1.00 19.14 C ATOM 645 C LEU A 88 12.453 6.915 41.413 1.00 16.80 C ATOM 646 O LEU A 88 12.329 7.928 42.105 1.00 15.54 O ATOM 647 CB LEU A 88 11.663 7.918 39.259 1.00 19.30 C ATOM 648 CG LEU A 88 13.044 8.323 38.742 1.00 22.39 C ATOM 649 CD1 LEU A 88 13.638 7.213 37.901 1.00 23.36 C ATOM 650 CD2 LEU A 88 12.928 9.591 37.926 1.00 24.90 C ATOM 0 H LEU A 88 9.812 7.193 40.893 1.00 21.89 H new ATOM 0 HA LEU A 88 11.894 5.921 39.695 1.00 19.14 H new ATOM 0 HB2 LEU A 88 11.094 7.751 38.492 1.00 19.30 H new ATOM 0 HB3 LEU A 88 11.287 8.677 39.732 1.00 19.30 H new ATOM 0 HG LEU A 88 13.631 8.482 39.498 1.00 22.39 H new ATOM 0 HD11 LEU A 88 14.513 7.483 37.580 1.00 23.36 H new ATOM 0 HD12 LEU A 88 13.725 6.410 38.439 1.00 23.36 H new ATOM 0 HD13 LEU A 88 13.058 7.034 37.145 1.00 23.36 H new ATOM 0 HD21 LEU A 88 13.805 9.847 37.599 1.00 24.90 H new ATOM 0 HD22 LEU A 88 12.334 9.439 37.174 1.00 24.90 H new ATOM 0 HD23 LEU A 88 12.571 10.302 38.481 1.00 24.90 H new ATOM 651 N ILE A 89 13.343 5.964 41.674 1.00 16.47 N ATOM 652 CA ILE A 89 14.226 6.045 42.829 1.00 18.79 C ATOM 653 C ILE A 89 15.673 6.330 42.434 1.00 21.00 C ATOM 654 O ILE A 89 16.332 5.509 41.792 1.00 22.96 O ATOM 655 CB ILE A 89 14.154 4.752 43.676 1.00 15.05 C ATOM 656 CG1 ILE A 89 12.735 4.570 44.221 1.00 16.79 C ATOM 657 CG2 ILE A 89 15.151 4.809 44.828 1.00 18.34 C ATOM 658 CD1 ILE A 89 12.520 3.271 44.962 1.00 20.15 C ATOM 0 H ILE A 89 13.451 5.260 41.191 1.00 16.47 H new ATOM 0 HA ILE A 89 13.914 6.792 43.364 1.00 18.79 H new ATOM 0 HB ILE A 89 14.381 3.997 43.111 1.00 15.05 H new ATOM 0 HG12 ILE A 89 12.530 5.308 44.816 1.00 16.79 H new ATOM 0 HG13 ILE A 89 12.107 4.618 43.483 1.00 16.79 H new ATOM 0 HG21 ILE A 89 15.092 3.992 45.348 1.00 18.34 H new ATOM 0 HG22 ILE A 89 16.049 4.903 44.474 1.00 18.34 H new ATOM 0 HG23 ILE A 89 14.946 5.568 45.396 1.00 18.34 H new ATOM 0 HD11 ILE A 89 11.604 3.226 45.277 1.00 20.15 H new ATOM 0 HD12 ILE A 89 12.694 2.526 44.366 1.00 20.15 H new ATOM 0 HD13 ILE A 89 13.124 3.227 45.720 1.00 20.15 H new ATOM 659 N LEU A 90 16.146 7.516 42.799 1.00 18.43 N ATOM 660 CA LEU A 90 17.515 7.930 42.514 1.00 19.60 C ATOM 661 C LEU A 90 18.338 7.797 43.791 1.00 21.60 C ATOM 662 O LEU A 90 17.821 8.023 44.890 1.00 23.12 O ATOM 663 CB LEU A 90 17.539 9.381 42.033 1.00 14.29 C ATOM 664 CG LEU A 90 16.674 9.733 40.818 1.00 17.51 C ATOM 665 CD1 LEU A 90 16.690 11.234 40.596 1.00 10.55 C ATOM 666 CD2 LEU A 90 17.169 8.998 39.582 1.00 17.43 C ATOM 0 H LEU A 90 15.681 8.105 43.220 1.00 18.43 H new ATOM 0 HA LEU A 90 17.887 7.368 41.816 1.00 19.60 H new ATOM 0 HB2 LEU A 90 17.264 9.947 42.771 1.00 14.29 H new ATOM 0 HB3 LEU A 90 18.458 9.613 41.825 1.00 14.29 H new ATOM 0 HG LEU A 90 15.761 9.453 40.987 1.00 17.51 H new ATOM 0 HD11 LEU A 90 16.142 11.453 39.826 1.00 10.55 H new ATOM 0 HD12 LEU A 90 16.338 11.681 41.381 1.00 10.55 H new ATOM 0 HD13 LEU A 90 17.601 11.528 40.438 1.00 10.55 H new ATOM 0 HD21 LEU A 90 16.612 9.231 38.822 1.00 17.43 H new ATOM 0 HD22 LEU A 90 18.087 9.253 39.400 1.00 17.43 H new ATOM 0 HD23 LEU A 90 17.124 8.041 39.734 1.00 17.43 H new ATOM 667 N HIS A 91 19.605 7.412 43.655 1.00 22.84 N ATOM 668 CA HIS A 91 20.467 7.265 44.824 1.00 26.34 C ATOM 669 C HIS A 91 20.748 8.632 45.431 1.00 28.78 C ATOM 670 O HIS A 91 21.222 9.542 44.753 1.00 26.97 O ATOM 671 CB HIS A 91 21.784 6.581 44.462 1.00 27.50 C ATOM 672 CG HIS A 91 22.536 6.061 45.648 1.00 29.09 C ATOM 673 ND1 HIS A 91 22.480 4.743 46.043 1.00 29.88 N ATOM 674 CD2 HIS A 91 23.363 6.682 46.525 1.00 29.06 C ATOM 675 CE1 HIS A 91 23.241 4.571 47.110 1.00 29.90 C ATOM 676 NE2 HIS A 91 23.788 5.731 47.422 1.00 28.08 N ATOM 0 H HIS A 91 19.981 7.233 42.903 1.00 22.84 H new ATOM 0 HA HIS A 91 20.006 6.708 45.470 1.00 26.34 H new ATOM 0 HB2 HIS A 91 21.602 5.846 43.856 1.00 27.50 H new ATOM 0 HB3 HIS A 91 22.346 7.210 43.983 1.00 27.50 H new ATOM 0 HD1 HIS A 91 22.021 4.127 45.656 1.00 29.88 H new ATOM 0 HD2 HIS A 91 23.598 7.582 46.520 1.00 29.06 H new ATOM 0 HE1 HIS A 91 23.369 3.769 47.564 1.00 29.90 H new ATOM 677 N LYS A 92 20.474 8.743 46.726 1.00 29.84 N ATOM 678 CA LYS A 92 20.642 9.980 47.483 1.00 34.86 C ATOM 679 C LYS A 92 22.050 10.565 47.468 1.00 34.61 C ATOM 680 O LYS A 92 22.215 11.787 47.490 1.00 34.72 O ATOM 681 CB LYS A 92 20.195 9.761 48.933 1.00 40.80 C ATOM 682 CG LYS A 92 20.165 11.022 49.789 0.00 46.09 C ATOM 683 CD LYS A 92 19.862 10.683 51.245 0.00 51.22 C ATOM 684 CE LYS A 92 19.549 11.925 52.062 0.00 53.02 C ATOM 685 NZ LYS A 92 19.094 11.585 53.438 0.00 56.23 N ATOM 0 H LYS A 92 20.179 8.089 47.200 1.00 29.84 H new ATOM 0 HA LYS A 92 20.085 10.634 47.033 1.00 34.86 H new ATOM 0 HB2 LYS A 92 19.309 9.367 48.929 1.00 40.80 H new ATOM 0 HB3 LYS A 92 20.790 9.117 49.348 1.00 40.80 H new ATOM 0 HG2 LYS A 92 21.019 11.478 49.730 0.00 46.09 H new ATOM 0 HG3 LYS A 92 19.493 11.633 49.448 0.00 46.09 H new ATOM 0 HD2 LYS A 92 19.110 10.072 51.285 0.00 51.22 H new ATOM 0 HD3 LYS A 92 20.622 10.223 51.635 0.00 51.22 H new ATOM 0 HE2 LYS A 92 20.339 12.486 52.112 0.00 53.02 H new ATOM 0 HE3 LYS A 92 18.862 12.442 51.613 0.00 53.02 H new ATOM 0 HZ1 LYS A 92 18.920 12.334 53.887 0.00 56.23 H new ATOM 0 HZ2 LYS A 92 18.357 11.088 53.393 0.00 56.23 H new ATOM 0 HZ3 LYS A 92 19.733 11.129 53.858 0.00 56.23 H new ATOM 686 N ASP A 93 23.055 9.697 47.445 1.00 33.79 N ATOM 687 CA ASP A 93 24.442 10.155 47.461 1.00 33.70 C ATOM 688 C ASP A 93 25.115 10.311 46.101 1.00 33.49 C ATOM 689 O ASP A 93 26.347 10.373 46.017 1.00 35.57 O ATOM 690 CB ASP A 93 25.301 9.254 48.360 1.00 36.58 C ATOM 691 CG ASP A 93 25.049 9.478 49.843 1.00 39.72 C ATOM 692 OD1 ASP A 93 25.091 10.642 50.300 1.00 39.84 O ATOM 693 OD2 ASP A 93 24.835 8.478 50.564 1.00 41.39 O ATOM 0 H ASP A 93 22.958 8.843 47.420 1.00 33.79 H new ATOM 0 HA ASP A 93 24.384 11.055 47.819 1.00 33.70 H new ATOM 0 HB2 ASP A 93 25.122 8.325 48.144 1.00 36.58 H new ATOM 0 HB3 ASP A 93 26.238 9.415 48.169 1.00 36.58 H new ATOM 694 N TYR A 94 24.325 10.374 45.033 1.00 31.90 N ATOM 695 CA TYR A 94 24.894 10.526 43.697 1.00 30.04 C ATOM 696 C TYR A 94 25.632 11.854 43.534 1.00 28.78 C ATOM 697 O TYR A 94 25.138 12.911 43.937 1.00 31.81 O ATOM 698 CB TYR A 94 23.809 10.387 42.616 1.00 27.95 C ATOM 699 CG TYR A 94 24.268 10.795 41.228 1.00 24.62 C ATOM 700 CD1 TYR A 94 24.915 9.893 40.382 1.00 23.39 C ATOM 701 CD2 TYR A 94 24.089 12.105 40.776 1.00 22.99 C ATOM 702 CE1 TYR A 94 25.373 10.287 39.124 1.00 20.92 C ATOM 703 CE2 TYR A 94 24.545 12.507 39.523 1.00 21.93 C ATOM 704 CZ TYR A 94 25.184 11.594 38.703 1.00 24.12 C ATOM 705 OH TYR A 94 25.628 11.989 37.462 1.00 20.31 O ATOM 0 H TYR A 94 23.466 10.331 45.059 1.00 31.90 H new ATOM 0 HA TYR A 94 25.542 9.812 43.585 1.00 30.04 H new ATOM 0 HB2 TYR A 94 23.508 9.465 42.589 1.00 27.95 H new ATOM 0 HB3 TYR A 94 23.044 10.929 42.866 1.00 27.95 H new ATOM 0 HD1 TYR A 94 25.043 9.015 40.661 1.00 23.39 H new ATOM 0 HD2 TYR A 94 23.657 12.721 41.323 1.00 22.99 H new ATOM 0 HE1 TYR A 94 25.803 9.676 38.571 1.00 20.92 H new ATOM 0 HE2 TYR A 94 24.421 13.384 39.239 1.00 21.93 H new ATOM 0 HH TYR A 94 26.293 11.526 37.242 1.00 20.31 H new ATOM 706 N SER A 95 26.802 11.789 42.910 1.00 28.36 N ATOM 707 CA SER A 95 27.620 12.967 42.654 1.00 27.48 C ATOM 708 C SER A 95 28.432 12.758 41.380 1.00 25.21 C ATOM 709 O SER A 95 28.688 11.623 40.974 1.00 22.22 O ATOM 710 CB SER A 95 28.544 13.262 43.843 1.00 24.02 C ATOM 711 OG SER A 95 29.360 12.150 44.175 1.00 24.56 O ATOM 0 H SER A 95 27.146 11.055 42.621 1.00 28.36 H new ATOM 0 HA SER A 95 27.037 13.733 42.537 1.00 27.48 H new ATOM 0 HB2 SER A 95 29.107 14.023 43.632 1.00 24.02 H new ATOM 0 HB3 SER A 95 28.009 13.510 44.613 1.00 24.02 H new ATOM 0 HG SER A 95 29.852 12.348 44.827 1.00 24.56 H new ATOM 712 N ALA A 96 28.788 13.856 40.723 1.00 26.38 N ATOM 713 CA ALA A 96 29.562 13.781 39.491 1.00 30.29 C ATOM 714 C ALA A 96 30.760 14.721 39.511 1.00 29.71 C ATOM 715 O ALA A 96 30.606 15.941 39.619 1.00 30.06 O ATOM 716 CB ALA A 96 28.672 14.082 38.291 1.00 29.85 C ATOM 0 H ALA A 96 28.591 14.655 40.974 1.00 26.38 H new ATOM 0 HA ALA A 96 29.905 12.877 39.416 1.00 30.29 H new ATOM 0 HB1 ALA A 96 29.197 14.029 37.477 1.00 29.85 H new ATOM 0 HB2 ALA A 96 27.951 13.435 38.252 1.00 29.85 H new ATOM 0 HB3 ALA A 96 28.301 14.974 38.379 1.00 29.85 H new ATOM 717 N ASP A 97 31.951 14.138 39.434 1.00 30.52 N ATOM 718 CA ASP A 97 33.195 14.899 39.417 1.00 32.38 C ATOM 719 C ASP A 97 33.610 15.172 37.966 1.00 33.69 C ATOM 720 O ASP A 97 32.757 15.258 37.077 1.00 34.87 O ATOM 721 CB ASP A 97 34.301 14.135 40.162 1.00 34.43 C ATOM 722 CG ASP A 97 34.129 14.169 41.676 1.00 38.98 C ATOM 723 OD1 ASP A 97 33.649 13.171 42.250 1.00 37.66 O ATOM 724 OD2 ASP A 97 34.500 15.187 42.301 1.00 41.50 O ATOM 0 H ASP A 97 32.061 13.286 39.390 1.00 30.52 H new ATOM 0 HA ASP A 97 33.057 15.746 39.870 1.00 32.38 H new ATOM 0 HB2 ASP A 97 34.308 13.212 39.863 1.00 34.43 H new ATOM 0 HB3 ASP A 97 35.163 14.515 39.930 1.00 34.43 H new ATOM 725 N THR A 97A 34.913 15.325 37.735 1.00 35.89 N ATOM 726 CA THR A 97A 35.452 15.584 36.400 1.00 37.00 C ATOM 727 C THR A 97A 35.040 14.485 35.417 1.00 37.74 C ATOM 728 O THR A 97A 34.492 14.765 34.348 1.00 39.31 O ATOM 729 CB THR A 97A 37.004 15.680 36.431 1.00 37.27 C ATOM 730 OG1 THR A 97A 37.415 16.604 37.447 1.00 35.01 O ATOM 731 CG2 THR A 97A 37.548 16.156 35.089 1.00 36.66 C ATOM 0 H THR A 97A 35.512 15.281 38.351 1.00 35.89 H new ATOM 0 HA THR A 97A 35.085 16.432 36.104 1.00 37.00 H new ATOM 0 HB THR A 97A 37.354 14.795 36.620 1.00 37.27 H new ATOM 0 HG1 THR A 97A 38.212 16.448 37.662 1.00 35.01 H new ATOM 0 HG21 THR A 97A 38.516 16.208 35.132 1.00 36.66 H new ATOM 0 HG22 THR A 97A 37.289 15.531 34.394 1.00 36.66 H new ATOM 0 HG23 THR A 97A 37.186 17.033 34.886 1.00 36.66 H new ATOM 732 N LEU A 97B 35.303 13.235 35.790 1.00 36.86 N ATOM 733 CA LEU A 97B 34.972 12.088 34.952 1.00 36.08 C ATOM 734 C LEU A 97B 34.099 11.080 35.693 1.00 35.61 C ATOM 735 O LEU A 97B 33.114 10.577 35.150 1.00 34.65 O ATOM 736 CB LEU A 97B 36.252 11.381 34.495 1.00 35.89 C ATOM 737 CG LEU A 97B 37.260 12.122 33.615 1.00 36.13 C ATOM 738 CD1 LEU A 97B 38.551 11.324 33.554 1.00 34.96 C ATOM 739 CD2 LEU A 97B 36.694 12.341 32.220 1.00 32.51 C ATOM 0 H LEU A 97B 35.678 13.029 36.536 1.00 36.86 H new ATOM 0 HA LEU A 97B 34.480 12.425 34.187 1.00 36.08 H new ATOM 0 HB2 LEU A 97B 36.723 11.092 35.292 1.00 35.89 H new ATOM 0 HB3 LEU A 97B 35.985 10.580 34.017 1.00 35.89 H new ATOM 0 HG LEU A 97B 37.442 12.994 33.999 1.00 36.13 H new ATOM 0 HD11 LEU A 97B 39.194 11.790 32.997 1.00 34.96 H new ATOM 0 HD12 LEU A 97B 38.912 11.224 34.449 1.00 34.96 H new ATOM 0 HD13 LEU A 97B 38.373 10.448 33.178 1.00 34.96 H new ATOM 0 HD21 LEU A 97B 37.345 12.811 31.676 1.00 32.51 H new ATOM 0 HD22 LEU A 97B 36.493 11.483 31.814 1.00 32.51 H new ATOM 0 HD23 LEU A 97B 35.882 12.868 32.279 1.00 32.51 H new ATOM 740 N ALA A 98 34.506 10.756 36.917 1.00 34.77 N ATOM 741 CA ALA A 98 33.809 9.786 37.755 1.00 31.91 C ATOM 742 C ALA A 98 32.394 10.181 38.165 1.00 31.28 C ATOM 743 O ALA A 98 32.124 11.335 38.489 1.00 32.75 O ATOM 744 CB ALA A 98 34.643 9.482 38.992 1.00 37.23 C ATOM 0 H ALA A 98 35.203 11.097 37.288 1.00 34.77 H new ATOM 0 HA ALA A 98 33.702 8.996 37.202 1.00 31.91 H new ATOM 0 HB1 ALA A 98 34.177 8.837 39.546 1.00 37.23 H new ATOM 0 HB2 ALA A 98 35.500 9.116 38.723 1.00 37.23 H new ATOM 0 HB3 ALA A 98 34.784 10.299 39.496 1.00 37.23 H new ATOM 745 N HIS A 99 31.493 9.203 38.123 1.00 27.94 N ATOM 746 CA HIS A 99 30.101 9.396 38.515 1.00 25.68 C ATOM 747 C HIS A 99 29.803 8.420 39.647 1.00 26.95 C ATOM 748 O HIS A 99 29.694 7.210 39.435 1.00 31.36 O ATOM 749 CB HIS A 99 29.163 9.155 37.332 1.00 26.51 C ATOM 750 CG HIS A 99 29.162 10.264 36.325 1.00 28.83 C ATOM 751 ND1 HIS A 99 28.001 10.814 35.828 1.00 29.71 N ATOM 752 CD2 HIS A 99 30.179 10.929 35.726 1.00 28.39 C ATOM 753 CE1 HIS A 99 28.302 11.770 34.968 1.00 29.02 C ATOM 754 NE2 HIS A 99 29.615 11.859 34.888 1.00 28.44 N ATOM 0 H HIS A 99 31.674 8.403 37.864 1.00 27.94 H new ATOM 0 HA HIS A 99 29.959 10.309 38.809 1.00 25.68 H new ATOM 0 HB2 HIS A 99 29.418 8.329 36.891 1.00 26.51 H new ATOM 0 HB3 HIS A 99 28.261 9.032 37.666 1.00 26.51 H new ATOM 0 HD2 HIS A 99 31.088 10.783 35.858 1.00 28.39 H new ATOM 0 HE1 HIS A 99 27.692 12.292 34.499 1.00 29.02 H new ATOM 0 HE2 HIS A 99 30.049 12.411 34.391 1.00 28.44 H new ATOM 755 N HIS A 100 29.700 8.963 40.852 1.00 25.94 N ATOM 756 CA HIS A 100 29.476 8.190 42.067 1.00 22.34 C ATOM 757 C HIS A 100 28.045 7.801 42.349 1.00 22.78 C ATOM 758 O HIS A 100 27.133 8.590 42.139 1.00 24.36 O ATOM 759 CB HIS A 100 30.023 8.970 43.248 1.00 19.43 C ATOM 760 CG HIS A 100 31.424 9.430 43.037 1.00 19.89 C ATOM 761 ND1 HIS A 100 32.512 8.686 43.437 1.00 21.53 N ATOM 762 CD2 HIS A 100 31.922 10.507 42.387 1.00 21.64 C ATOM 763 CE1 HIS A 100 33.620 9.279 43.032 1.00 23.67 C ATOM 764 NE2 HIS A 100 33.289 10.386 42.392 1.00 24.77 N ATOM 0 H HIS A 100 29.760 9.810 40.990 1.00 25.94 H new ATOM 0 HA HIS A 100 29.939 7.350 41.927 1.00 22.34 H new ATOM 0 HB2 HIS A 100 29.456 9.739 43.413 1.00 19.43 H new ATOM 0 HB3 HIS A 100 29.986 8.415 44.042 1.00 19.43 H new ATOM 0 HD1 HIS A 100 32.475 7.950 43.881 1.00 21.53 H new ATOM 0 HD2 HIS A 100 31.430 11.199 42.008 1.00 21.64 H new ATOM 0 HE1 HIS A 100 34.486 8.970 43.173 1.00 23.67 H new ATOM 765 N ASN A 101 27.871 6.584 42.861 1.00 21.43 N ATOM 766 CA ASN A 101 26.562 6.057 43.206 1.00 19.91 C ATOM 767 C ASN A 101 25.621 6.217 42.041 1.00 20.39 C ATOM 768 O ASN A 101 24.502 6.701 42.193 1.00 24.60 O ATOM 769 CB ASN A 101 26.009 6.767 44.441 1.00 23.98 C ATOM 770 CG ASN A 101 26.802 6.453 45.696 1.00 25.38 C ATOM 771 OD1 ASN A 101 27.007 5.290 46.039 1.00 29.18 O ATOM 772 ND2 ASN A 101 27.270 7.485 46.372 1.00 24.17 N ATOM 0 H ASN A 101 28.518 6.040 43.018 1.00 21.43 H new ATOM 0 HA ASN A 101 26.649 5.113 43.411 1.00 19.91 H new ATOM 0 HB2 ASN A 101 26.015 7.725 44.289 1.00 23.98 H new ATOM 0 HB3 ASN A 101 25.084 6.507 44.573 1.00 23.98 H new ATOM 0 HD21 ASN A 101 27.738 7.357 47.082 1.00 24.17 H new ATOM 0 HD22 ASN A 101 27.107 8.285 46.103 1.00 24.17 H new ATOM 773 N ASP A 102 26.104 5.836 40.864 1.00 19.65 N ATOM 774 CA ASP A 102 25.329 5.934 39.640 1.00 16.45 C ATOM 775 C ASP A 102 24.415 4.721 39.509 1.00 17.89 C ATOM 776 O ASP A 102 24.694 3.809 38.737 1.00 19.15 O ATOM 777 CB ASP A 102 26.279 6.000 38.448 1.00 16.28 C ATOM 778 CG ASP A 102 25.666 6.676 37.241 1.00 15.51 C ATOM 779 OD1 ASP A 102 24.453 6.988 37.263 1.00 8.37 O ATOM 780 OD2 ASP A 102 26.421 6.921 36.271 1.00 16.14 O ATOM 0 H ASP A 102 26.893 5.513 40.755 1.00 19.65 H new ATOM 0 HA ASP A 102 24.784 6.736 39.664 1.00 16.45 H new ATOM 0 HB2 ASP A 102 27.082 6.478 38.707 1.00 16.28 H new ATOM 0 HB3 ASP A 102 26.550 5.100 38.206 1.00 16.28 H new ATOM 781 N ILE A 103 23.319 4.715 40.260 1.00 15.68 N ATOM 782 CA ILE A 103 22.383 3.604 40.221 1.00 14.82 C ATOM 783 C ILE A 103 20.978 4.147 40.464 1.00 17.50 C ATOM 784 O ILE A 103 20.811 5.140 41.182 1.00 19.57 O ATOM 785 CB ILE A 103 22.765 2.537 41.288 1.00 15.46 C ATOM 786 CG1 ILE A 103 21.973 1.248 41.069 1.00 17.83 C ATOM 787 CG2 ILE A 103 22.533 3.069 42.686 1.00 12.31 C ATOM 788 CD1 ILE A 103 22.507 0.066 41.842 1.00 9.03 C ATOM 0 H ILE A 103 23.101 5.348 40.800 1.00 15.68 H new ATOM 0 HA ILE A 103 22.414 3.171 39.354 1.00 14.82 H new ATOM 0 HB ILE A 103 23.709 2.337 41.190 1.00 15.46 H new ATOM 0 HG12 ILE A 103 21.049 1.399 41.323 1.00 17.83 H new ATOM 0 HG13 ILE A 103 21.976 1.033 40.123 1.00 17.83 H new ATOM 0 HG21 ILE A 103 22.776 2.391 43.335 1.00 12.31 H new ATOM 0 HG22 ILE A 103 23.077 3.860 42.826 1.00 12.31 H new ATOM 0 HG23 ILE A 103 21.597 3.298 42.794 1.00 12.31 H new ATOM 0 HD11 ILE A 103 21.961 -0.714 41.658 1.00 9.03 H new ATOM 0 HD12 ILE A 103 23.422 -0.110 41.573 1.00 9.03 H new ATOM 0 HD13 ILE A 103 22.481 0.262 42.792 1.00 9.03 H new ATOM 789 N ALA A 104 19.971 3.501 39.877 1.00 15.16 N ATOM 790 CA ALA A 104 18.589 3.951 40.031 1.00 13.82 C ATOM 791 C ALA A 104 17.583 2.828 39.861 1.00 15.22 C ATOM 792 O ALA A 104 17.857 1.826 39.206 1.00 18.31 O ATOM 793 CB ALA A 104 18.290 5.055 39.030 1.00 11.15 C ATOM 0 H ALA A 104 20.067 2.801 39.386 1.00 15.16 H new ATOM 0 HA ALA A 104 18.500 4.284 40.938 1.00 13.82 H new ATOM 0 HB1 ALA A 104 17.372 5.349 39.137 1.00 11.15 H new ATOM 0 HB2 ALA A 104 18.889 5.802 39.184 1.00 11.15 H new ATOM 0 HB3 ALA A 104 18.418 4.719 38.129 1.00 11.15 H new ATOM 794 N LEU A 105 16.401 3.013 40.434 1.00 14.81 N ATOM 795 CA LEU A 105 15.349 2.014 40.326 1.00 16.64 C ATOM 796 C LEU A 105 14.087 2.637 39.767 1.00 19.68 C ATOM 797 O LEU A 105 13.701 3.748 40.144 1.00 23.44 O ATOM 798 CB LEU A 105 15.056 1.376 41.688 1.00 13.25 C ATOM 799 CG LEU A 105 16.207 0.543 42.259 1.00 13.92 C ATOM 800 CD1 LEU A 105 15.949 0.243 43.727 1.00 10.70 C ATOM 801 CD2 LEU A 105 16.399 -0.742 41.433 1.00 5.50 C ATOM 0 H LEU A 105 16.188 3.711 40.890 1.00 14.81 H new ATOM 0 HA LEU A 105 15.656 1.320 39.722 1.00 16.64 H new ATOM 0 HB2 LEU A 105 14.835 2.078 42.320 1.00 13.25 H new ATOM 0 HB3 LEU A 105 14.272 0.811 41.606 1.00 13.25 H new ATOM 0 HG LEU A 105 17.033 1.049 42.201 1.00 13.92 H new ATOM 0 HD11 LEU A 105 16.681 -0.285 44.083 1.00 10.70 H new ATOM 0 HD12 LEU A 105 15.881 1.075 44.220 1.00 10.70 H new ATOM 0 HD13 LEU A 105 15.120 -0.253 43.815 1.00 10.70 H new ATOM 0 HD21 LEU A 105 17.130 -1.260 41.805 1.00 5.50 H new ATOM 0 HD22 LEU A 105 15.585 -1.268 41.459 1.00 5.50 H new ATOM 0 HD23 LEU A 105 16.603 -0.509 40.514 1.00 5.50 H new ATOM 802 N LEU A 106 13.466 1.923 38.839 1.00 20.15 N ATOM 803 CA LEU A 106 12.239 2.374 38.210 1.00 19.99 C ATOM 804 C LEU A 106 11.175 1.321 38.384 1.00 21.75 C ATOM 805 O LEU A 106 11.288 0.221 37.832 1.00 21.98 O ATOM 806 CB LEU A 106 12.439 2.605 36.712 1.00 18.73 C ATOM 807 CG LEU A 106 13.047 3.924 36.263 1.00 20.26 C ATOM 808 CD1 LEU A 106 14.521 3.986 36.644 1.00 21.39 C ATOM 809 CD2 LEU A 106 12.887 4.045 34.762 1.00 22.80 C ATOM 0 H LEU A 106 13.747 1.161 38.557 1.00 20.15 H new ATOM 0 HA LEU A 106 11.976 3.208 38.629 1.00 19.99 H new ATOM 0 HB2 LEU A 106 13.001 1.890 36.374 1.00 18.73 H new ATOM 0 HB3 LEU A 106 11.575 2.515 36.280 1.00 18.73 H new ATOM 0 HG LEU A 106 12.592 4.660 36.702 1.00 20.26 H new ATOM 0 HD11 LEU A 106 14.896 4.832 36.352 1.00 21.39 H new ATOM 0 HD12 LEU A 106 14.610 3.909 37.607 1.00 21.39 H new ATOM 0 HD13 LEU A 106 14.997 3.257 36.216 1.00 21.39 H new ATOM 0 HD21 LEU A 106 13.271 4.884 34.462 1.00 22.80 H new ATOM 0 HD22 LEU A 106 13.342 3.307 34.327 1.00 22.80 H new ATOM 0 HD23 LEU A 106 11.944 4.022 34.534 1.00 22.80 H new ATOM 810 N LYS A 107 10.168 1.622 39.194 1.00 22.29 N ATOM 811 CA LYS A 107 9.094 0.665 39.362 1.00 23.28 C ATOM 812 C LYS A 107 8.228 0.953 38.168 1.00 22.54 C ATOM 813 O LYS A 107 7.880 2.100 37.916 1.00 25.00 O ATOM 814 CB LYS A 107 8.318 0.863 40.661 1.00 24.06 C ATOM 815 CG LYS A 107 7.351 -0.280 40.900 1.00 27.98 C ATOM 816 CD LYS A 107 6.676 -0.237 42.259 1.00 30.42 C ATOM 817 CE LYS A 107 5.763 -1.449 42.413 1.00 31.28 C ATOM 818 NZ LYS A 107 5.019 -1.481 43.700 1.00 32.48 N ATOM 0 H LYS A 107 10.090 2.352 39.641 1.00 22.29 H new ATOM 0 HA LYS A 107 9.413 -0.249 39.417 1.00 23.28 H new ATOM 0 HB2 LYS A 107 8.938 0.927 41.405 1.00 24.06 H new ATOM 0 HB3 LYS A 107 7.830 1.701 40.625 1.00 24.06 H new ATOM 0 HG2 LYS A 107 6.670 -0.266 40.209 1.00 27.98 H new ATOM 0 HG3 LYS A 107 7.828 -1.120 40.811 1.00 27.98 H new ATOM 0 HD2 LYS A 107 7.344 -0.232 42.962 1.00 30.42 H new ATOM 0 HD3 LYS A 107 6.162 0.581 42.350 1.00 30.42 H new ATOM 0 HE2 LYS A 107 5.127 -1.459 41.681 1.00 31.28 H new ATOM 0 HE3 LYS A 107 6.296 -2.256 42.337 1.00 31.28 H new ATOM 0 HZ1 LYS A 107 4.507 -2.208 43.729 1.00 32.48 H new ATOM 0 HZ2 LYS A 107 5.597 -1.498 44.377 1.00 32.48 H new ATOM 0 HZ3 LYS A 107 4.508 -0.756 43.766 1.00 32.48 H new ATOM 819 N ILE A 108 7.979 -0.071 37.371 1.00 21.08 N ATOM 820 CA ILE A 108 7.180 0.100 36.178 1.00 20.85 C ATOM 821 C ILE A 108 5.780 -0.441 36.365 1.00 21.27 C ATOM 822 O ILE A 108 5.516 -1.173 37.312 1.00 25.82 O ATOM 823 CB ILE A 108 7.859 -0.578 34.969 1.00 17.40 C ATOM 824 CG1 ILE A 108 8.047 -2.076 35.235 1.00 14.74 C ATOM 825 CG2 ILE A 108 9.205 0.082 34.711 1.00 15.83 C ATOM 826 CD1 ILE A 108 8.642 -2.858 34.085 1.00 9.42 C ATOM 0 H ILE A 108 8.264 -0.872 37.504 1.00 21.08 H new ATOM 0 HA ILE A 108 7.110 1.052 36.006 1.00 20.85 H new ATOM 0 HB ILE A 108 7.295 -0.475 34.187 1.00 17.40 H new ATOM 0 HG12 ILE A 108 8.618 -2.184 36.012 1.00 14.74 H new ATOM 0 HG13 ILE A 108 7.186 -2.462 35.460 1.00 14.74 H new ATOM 0 HG21 ILE A 108 9.634 -0.343 33.951 1.00 15.83 H new ATOM 0 HG22 ILE A 108 9.073 1.024 34.522 1.00 15.83 H new ATOM 0 HG23 ILE A 108 9.768 -0.014 35.495 1.00 15.83 H new ATOM 0 HD11 ILE A 108 8.726 -3.791 34.337 1.00 9.42 H new ATOM 0 HD12 ILE A 108 8.064 -2.784 33.310 1.00 9.42 H new ATOM 0 HD13 ILE A 108 9.518 -2.502 33.870 1.00 9.42 H new ATOM 827 N ARG A 109 4.878 -0.024 35.486 1.00 23.15 N ATOM 828 CA ARG A 109 3.489 -0.473 35.499 1.00 23.87 C ATOM 829 C ARG A 109 2.825 -0.099 34.180 1.00 22.29 C ATOM 830 O ARG A 109 2.992 1.018 33.676 1.00 19.14 O ATOM 831 CB ARG A 109 2.702 0.135 36.663 1.00 27.06 C ATOM 832 CG ARG A 109 2.575 1.649 36.631 1.00 33.90 C ATOM 833 CD ARG A 109 1.518 2.107 37.621 1.00 40.78 C ATOM 834 NE ARG A 109 1.502 3.557 37.806 1.00 42.91 N ATOM 835 CZ ARG A 109 0.856 4.175 38.792 1.00 42.03 C ATOM 836 NH1 ARG A 109 0.171 3.465 39.680 1.00 40.27 N ATOM 837 NH2 ARG A 109 0.902 5.498 38.896 1.00 41.00 N ATOM 0 H ARG A 109 5.056 0.535 34.857 1.00 23.15 H new ATOM 0 HA ARG A 109 3.487 -1.436 35.615 1.00 23.87 H new ATOM 0 HB2 ARG A 109 1.812 -0.251 36.670 1.00 27.06 H new ATOM 0 HB3 ARG A 109 3.130 -0.123 37.495 1.00 27.06 H new ATOM 0 HG2 ARG A 109 3.428 2.057 36.847 1.00 33.90 H new ATOM 0 HG3 ARG A 109 2.339 1.942 35.737 1.00 33.90 H new ATOM 0 HD2 ARG A 109 0.646 1.815 37.314 1.00 40.78 H new ATOM 0 HD3 ARG A 109 1.675 1.678 38.477 1.00 40.78 H new ATOM 0 HE ARG A 109 1.937 4.040 37.243 1.00 42.91 H new ATOM 0 HH11 ARG A 109 0.145 2.608 39.617 1.00 40.27 H new ATOM 0 HH12 ARG A 109 -0.247 3.862 40.318 1.00 40.27 H new ATOM 0 HH21 ARG A 109 1.350 5.959 38.325 1.00 41.00 H new ATOM 0 HH22 ARG A 109 0.483 5.894 39.534 1.00 41.00 H new ATOM 838 N SER A 110 2.104 -1.053 33.605 1.00 20.06 N ATOM 839 CA SER A 110 1.407 -0.799 32.357 1.00 23.90 C ATOM 840 C SER A 110 0.174 0.060 32.664 1.00 25.86 C ATOM 841 O SER A 110 -0.021 0.488 33.807 1.00 24.50 O ATOM 842 CB SER A 110 1.028 -2.134 31.689 1.00 24.77 C ATOM 843 OG SER A 110 -0.027 -2.786 32.379 1.00 29.51 O ATOM 0 H SER A 110 2.007 -1.847 33.920 1.00 20.06 H new ATOM 0 HA SER A 110 1.975 -0.319 31.734 1.00 23.90 H new ATOM 0 HB2 SER A 110 0.763 -1.972 30.770 1.00 24.77 H new ATOM 0 HB3 SER A 110 1.805 -2.715 31.662 1.00 24.77 H new ATOM 0 HG SER A 110 -0.212 -3.508 31.991 1.00 29.51 H new ATOM 844 N LYS A 110A -0.600 0.398 31.637 1.00 27.12 N ATOM 845 CA LYS A 110A -1.801 1.205 31.833 1.00 29.34 C ATOM 846 C LYS A 110A -2.858 0.424 32.612 1.00 27.18 C ATOM 847 O LYS A 110A -3.735 1.009 33.258 1.00 26.67 O ATOM 848 CB LYS A 110A -2.357 1.671 30.487 1.00 32.54 C ATOM 849 CG LYS A 110A -1.390 2.545 29.705 1.00 36.84 C ATOM 850 CD LYS A 110A -2.064 3.240 28.536 1.00 43.04 C ATOM 851 CE LYS A 110A -1.150 4.301 27.944 1.00 47.52 C ATOM 852 NZ LYS A 110A -1.629 4.801 26.620 1.00 50.51 N ATOM 0 H LYS A 110A -0.449 0.171 30.821 1.00 27.12 H new ATOM 0 HA LYS A 110A -1.561 1.988 32.353 1.00 29.34 H new ATOM 0 HB2 LYS A 110A -2.585 0.894 29.953 1.00 32.54 H new ATOM 0 HB3 LYS A 110A -3.179 2.164 30.637 1.00 32.54 H new ATOM 0 HG2 LYS A 110A -1.006 3.210 30.297 1.00 36.84 H new ATOM 0 HG3 LYS A 110A -0.657 2.001 29.377 1.00 36.84 H new ATOM 0 HD2 LYS A 110A -2.295 2.588 27.855 1.00 43.04 H new ATOM 0 HD3 LYS A 110A -2.893 3.648 28.830 1.00 43.04 H new ATOM 0 HE2 LYS A 110A -1.083 5.046 28.562 1.00 47.52 H new ATOM 0 HE3 LYS A 110A -0.258 3.934 27.843 1.00 47.52 H new ATOM 0 HZ1 LYS A 110A -1.065 5.418 26.314 1.00 50.51 H new ATOM 0 HZ2 LYS A 110A -1.669 4.124 26.044 1.00 50.51 H new ATOM 0 HZ3 LYS A 110A -2.438 5.160 26.713 1.00 50.51 H new ATOM 853 N GLU A 110B -2.762 -0.899 32.539 1.00 27.86 N ATOM 854 CA GLU A 110B -3.671 -1.802 33.232 1.00 31.91 C ATOM 855 C GLU A 110B -3.256 -1.983 34.695 1.00 33.26 C ATOM 856 O GLU A 110B -3.979 -2.596 35.488 1.00 35.22 O ATOM 857 CB GLU A 110B -3.706 -3.158 32.519 1.00 33.09 C ATOM 858 CG GLU A 110B -4.520 -3.185 31.220 1.00 36.87 C ATOM 859 CD GLU A 110B -3.908 -2.367 30.091 1.00 38.29 C ATOM 860 OE1 GLU A 110B -2.706 -2.540 29.793 1.00 39.09 O ATOM 861 OE2 GLU A 110B -4.642 -1.559 29.480 1.00 38.93 O ATOM 0 H GLU A 110B -2.158 -1.302 32.079 1.00 27.86 H new ATOM 0 HA GLU A 110B -4.559 -1.412 33.217 1.00 31.91 H new ATOM 0 HB2 GLU A 110B -2.796 -3.428 32.320 1.00 33.09 H new ATOM 0 HB3 GLU A 110B -4.071 -3.819 33.128 1.00 33.09 H new ATOM 0 HG2 GLU A 110B -4.614 -4.105 30.927 1.00 36.87 H new ATOM 0 HG3 GLU A 110B -5.413 -2.852 31.401 1.00 36.87 H new ATOM 862 N GLY A 110C -2.110 -1.410 35.056 1.00 30.99 N ATOM 863 CA GLY A 110C -1.619 -1.515 36.418 1.00 29.60 C ATOM 864 C GLY A 110C -0.813 -2.773 36.687 1.00 29.68 C ATOM 865 O GLY A 110C -0.404 -3.020 37.823 1.00 30.14 O ATOM 0 H GLY A 110C -1.606 -0.958 34.526 1.00 30.99 H new ATOM 0 HA2 GLY A 110C -1.069 -0.741 36.614 1.00 29.60 H new ATOM 0 HA3 GLY A 110C -2.373 -1.489 37.027 1.00 29.60 H new ATOM 866 N ARG A 110D -0.594 -3.573 35.649 1.00 29.49 N ATOM 867 CA ARG A 110D 0.171 -4.808 35.775 1.00 30.97 C ATOM 868 C ARG A 110D 1.661 -4.579 35.550 1.00 30.67 C ATOM 869 O ARG A 110D 2.086 -3.490 35.157 1.00 30.23 O ATOM 870 CB ARG A 110D -0.343 -5.858 34.788 1.00 32.77 C ATOM 871 CG ARG A 110D -1.746 -6.354 35.079 1.00 35.59 C ATOM 872 CD ARG A 110D -2.226 -7.290 33.986 1.00 35.52 C ATOM 873 NE ARG A 110D -3.462 -6.816 33.372 1.00 36.18 N ATOM 874 CZ ARG A 110D -3.888 -7.177 32.166 1.00 36.37 C ATOM 875 NH1 ARG A 110D -3.183 -8.024 31.426 1.00 36.53 N ATOM 876 NH2 ARG A 110D -5.038 -6.706 31.700 1.00 36.53 N ATOM 0 H ARG A 110D -0.884 -3.416 34.855 1.00 29.49 H new ATOM 0 HA ARG A 110D 0.050 -5.129 36.682 1.00 30.97 H new ATOM 0 HB2 ARG A 110D -0.323 -5.483 33.894 1.00 32.77 H new ATOM 0 HB3 ARG A 110D 0.264 -6.615 34.792 1.00 32.77 H new ATOM 0 HG2 ARG A 110D -1.760 -6.814 35.933 1.00 35.59 H new ATOM 0 HG3 ARG A 110D -2.351 -5.600 35.153 1.00 35.59 H new ATOM 0 HD2 ARG A 110D -1.539 -7.374 33.307 1.00 35.52 H new ATOM 0 HD3 ARG A 110D -2.368 -8.175 34.357 1.00 35.52 H new ATOM 0 HE ARG A 110D -3.947 -6.266 33.821 1.00 36.18 H new ATOM 0 HH11 ARG A 110D -2.443 -8.344 31.726 1.00 36.53 H new ATOM 0 HH12 ARG A 110D -3.466 -8.252 30.647 1.00 36.53 H new ATOM 0 HH21 ARG A 110D -5.507 -6.167 32.178 1.00 36.53 H new ATOM 0 HH22 ARG A 110D -5.314 -6.940 30.920 1.00 36.53 H new ATOM 877 N CYS A 111 2.452 -5.609 35.830 1.00 30.13 N ATOM 878 CA CYS A 111 3.896 -5.544 35.652 1.00 27.08 C ATOM 879 C CYS A 111 4.322 -6.319 34.407 1.00 28.19 C ATOM 880 O CYS A 111 3.483 -6.720 33.598 1.00 30.00 O ATOM 881 CB CYS A 111 4.606 -6.088 36.894 1.00 25.83 C ATOM 882 SG CYS A 111 4.326 -5.108 38.404 1.00 22.30 S ATOM 0 H CYS A 111 2.167 -6.364 36.128 1.00 30.13 H new ATOM 0 HA CYS A 111 4.150 -4.616 35.531 1.00 27.08 H new ATOM 0 HB2 CYS A 111 4.309 -6.998 37.051 1.00 25.83 H new ATOM 0 HB3 CYS A 111 5.559 -6.127 36.718 1.00 25.83 H new ATOM 883 N ALA A 112 5.627 -6.520 34.253 1.00 28.36 N ATOM 884 CA ALA A 112 6.168 -7.236 33.104 1.00 27.19 C ATOM 885 C ALA A 112 5.832 -8.722 33.122 1.00 27.32 C ATOM 886 O ALA A 112 6.201 -9.444 34.052 1.00 29.94 O ATOM 887 CB ALA A 112 7.676 -7.040 33.026 1.00 29.57 C ATOM 0 H ALA A 112 6.222 -6.246 34.810 1.00 28.36 H new ATOM 0 HA ALA A 112 5.747 -6.861 32.314 1.00 27.19 H new ATOM 0 HB1 ALA A 112 8.026 -7.520 32.259 1.00 29.57 H new ATOM 0 HB2 ALA A 112 7.875 -6.095 32.934 1.00 29.57 H new ATOM 0 HB3 ALA A 112 8.089 -7.380 33.835 1.00 29.57 H new ATOM 888 N GLN A 113 5.115 -9.166 32.094 1.00 28.36 N ATOM 889 CA GLN A 113 4.736 -10.567 31.959 1.00 30.08 C ATOM 890 C GLN A 113 5.844 -11.286 31.194 1.00 30.68 C ATOM 891 O GLN A 113 6.096 -10.987 30.028 1.00 33.78 O ATOM 892 CB GLN A 113 3.407 -10.692 31.211 1.00 26.73 C ATOM 893 CG GLN A 113 2.250 -9.965 31.883 1.00 28.02 C ATOM 894 CD GLN A 113 1.153 -9.576 30.910 1.00 27.78 C ATOM 895 OE1 GLN A 113 -0.030 -9.615 31.247 1.00 27.97 O ATOM 896 NE2 GLN A 113 1.539 -9.206 29.693 1.00 27.96 N ATOM 0 H GLN A 113 4.835 -8.663 31.455 1.00 28.36 H new ATOM 0 HA GLN A 113 4.621 -10.966 32.836 1.00 30.08 H new ATOM 0 HB2 GLN A 113 3.518 -10.344 30.312 1.00 26.73 H new ATOM 0 HB3 GLN A 113 3.181 -11.631 31.126 1.00 26.73 H new ATOM 0 HG2 GLN A 113 1.876 -10.532 32.575 1.00 28.02 H new ATOM 0 HG3 GLN A 113 2.586 -9.167 32.321 1.00 28.02 H new ATOM 0 HE21 GLN A 113 2.375 -9.191 29.493 1.00 27.96 H new ATOM 0 HE22 GLN A 113 0.952 -8.982 29.105 1.00 27.96 H new ATOM 897 N PRO A 114 6.534 -12.230 31.855 1.00 31.50 N ATOM 898 CA PRO A 114 7.630 -13.010 31.273 1.00 31.59 C ATOM 899 C PRO A 114 7.286 -13.710 29.962 1.00 32.67 C ATOM 900 O PRO A 114 6.240 -14.352 29.839 1.00 36.67 O ATOM 901 CB PRO A 114 7.945 -14.019 32.374 1.00 29.65 C ATOM 902 CG PRO A 114 7.646 -13.251 33.615 1.00 33.82 C ATOM 903 CD PRO A 114 6.332 -12.601 33.267 1.00 30.84 C ATOM 0 HA PRO A 114 8.374 -12.440 31.022 1.00 31.59 H new ATOM 0 HB2 PRO A 114 7.396 -14.815 32.301 1.00 29.65 H new ATOM 0 HB3 PRO A 114 8.870 -14.309 32.343 1.00 29.65 H new ATOM 0 HG2 PRO A 114 7.572 -13.828 34.391 1.00 33.82 H new ATOM 0 HG3 PRO A 114 8.334 -12.597 33.813 1.00 33.82 H new ATOM 0 HD2 PRO A 114 5.585 -13.210 33.379 1.00 30.84 H new ATOM 0 HD3 PRO A 114 6.152 -11.827 33.823 1.00 30.84 H new ATOM 904 N SER A 115 8.200 -13.611 29.005 1.00 31.74 N ATOM 905 CA SER A 115 8.036 -14.229 27.697 1.00 32.97 C ATOM 906 C SER A 115 9.396 -14.622 27.125 1.00 35.42 C ATOM 907 O SER A 115 10.398 -14.653 27.846 1.00 38.32 O ATOM 908 CB SER A 115 7.299 -13.279 26.743 1.00 30.96 C ATOM 909 OG SER A 115 7.914 -12.005 26.690 1.00 33.90 O ATOM 0 H SER A 115 8.938 -13.180 29.097 1.00 31.74 H new ATOM 0 HA SER A 115 7.501 -15.032 27.797 1.00 32.97 H new ATOM 0 HB2 SER A 115 7.279 -13.666 25.854 1.00 30.96 H new ATOM 0 HB3 SER A 115 6.378 -13.182 27.031 1.00 30.96 H new ATOM 0 HG SER A 115 7.489 -11.511 26.160 1.00 33.90 H new ATOM 910 N ARG A 116 9.416 -14.984 25.847 1.00 36.18 N ATOM 911 CA ARG A 116 10.652 -15.375 25.180 1.00 36.62 C ATOM 912 C ARG A 116 11.527 -14.147 24.919 1.00 34.37 C ATOM 913 O ARG A 116 12.746 -14.260 24.772 1.00 34.07 O ATOM 914 CB ARG A 116 10.329 -16.089 23.863 1.00 39.51 C ATOM 915 CG ARG A 116 11.503 -16.817 23.228 1.00 42.55 C ATOM 916 CD ARG A 116 11.188 -17.217 21.797 1.00 45.13 C ATOM 917 NE ARG A 116 11.610 -16.190 20.851 1.00 47.78 N ATOM 918 CZ ARG A 116 11.208 -16.113 19.586 1.00 50.41 C ATOM 919 NH1 ARG A 116 10.362 -17.006 19.083 1.00 50.58 N ATOM 920 NH2 ARG A 116 11.648 -15.126 18.817 1.00 50.66 N ATOM 0 H ARG A 116 8.718 -15.010 25.345 1.00 36.18 H new ATOM 0 HA ARG A 116 11.142 -15.983 25.756 1.00 36.62 H new ATOM 0 HB2 ARG A 116 9.616 -16.728 24.022 1.00 39.51 H new ATOM 0 HB3 ARG A 116 9.989 -15.437 23.231 1.00 39.51 H new ATOM 0 HG2 ARG A 116 12.287 -16.247 23.242 1.00 42.55 H new ATOM 0 HG3 ARG A 116 11.717 -17.607 23.748 1.00 42.55 H new ATOM 0 HD2 ARG A 116 11.632 -18.054 21.588 1.00 45.13 H new ATOM 0 HD3 ARG A 116 10.235 -17.372 21.705 1.00 45.13 H new ATOM 0 HE ARG A 116 12.159 -15.591 21.132 1.00 47.78 H new ATOM 0 HH11 ARG A 116 10.067 -17.645 19.577 1.00 50.58 H new ATOM 0 HH12 ARG A 116 10.110 -16.945 18.263 1.00 50.58 H new ATOM 0 HH21 ARG A 116 12.190 -14.540 19.137 1.00 50.66 H new ATOM 0 HH22 ARG A 116 11.391 -15.072 17.998 1.00 50.66 H new ATOM 921 N THR A 117 10.895 -12.978 24.882 1.00 30.59 N ATOM 922 CA THR A 117 11.593 -11.721 24.633 1.00 28.75 C ATOM 923 C THR A 117 11.690 -10.825 25.867 1.00 31.25 C ATOM 924 O THR A 117 12.285 -9.744 25.809 1.00 31.07 O ATOM 925 CB THR A 117 10.903 -10.919 23.516 1.00 27.97 C ATOM 926 OG1 THR A 117 9.505 -10.797 23.807 1.00 26.90 O ATOM 927 CG2 THR A 117 11.086 -11.610 22.174 1.00 28.80 C ATOM 0 H THR A 117 10.048 -12.891 25.001 1.00 30.59 H new ATOM 0 HA THR A 117 12.491 -11.977 24.371 1.00 28.75 H new ATOM 0 HB THR A 117 11.305 -10.038 23.470 1.00 27.97 H new ATOM 0 HG1 THR A 117 9.129 -10.358 23.198 1.00 26.90 H new ATOM 0 HG21 THR A 117 10.646 -11.093 21.481 1.00 28.80 H new ATOM 0 HG22 THR A 117 12.032 -11.681 21.973 1.00 28.80 H new ATOM 0 HG23 THR A 117 10.697 -12.498 22.211 1.00 28.80 H new ATOM 928 N ILE A 118 11.092 -11.257 26.973 1.00 32.08 N ATOM 929 CA ILE A 118 11.117 -10.478 28.209 1.00 30.58 C ATOM 930 C ILE A 118 11.386 -11.332 29.449 1.00 31.31 C ATOM 931 O ILE A 118 10.464 -11.864 30.061 1.00 31.92 O ATOM 932 CB ILE A 118 9.798 -9.710 28.419 1.00 27.61 C ATOM 933 CG1 ILE A 118 9.499 -8.826 27.214 1.00 22.39 C ATOM 934 CG2 ILE A 118 9.889 -8.841 29.671 1.00 29.82 C ATOM 935 CD1 ILE A 118 8.183 -8.105 27.322 1.00 23.87 C ATOM 0 H ILE A 118 10.665 -12.001 27.030 1.00 32.08 H new ATOM 0 HA ILE A 118 11.851 -9.853 28.102 1.00 30.58 H new ATOM 0 HB ILE A 118 9.083 -10.357 28.525 1.00 27.61 H new ATOM 0 HG12 ILE A 118 10.211 -8.175 27.113 1.00 22.39 H new ATOM 0 HG13 ILE A 118 9.498 -9.372 26.412 1.00 22.39 H new ATOM 0 HG21 ILE A 118 9.054 -8.362 29.794 1.00 29.82 H new ATOM 0 HG22 ILE A 118 10.056 -9.403 30.444 1.00 29.82 H new ATOM 0 HG23 ILE A 118 10.615 -8.205 29.572 1.00 29.82 H new ATOM 0 HD11 ILE A 118 8.046 -7.560 26.531 1.00 23.87 H new ATOM 0 HD12 ILE A 118 7.464 -8.752 27.396 1.00 23.87 H new ATOM 0 HD13 ILE A 118 8.189 -7.537 28.108 1.00 23.87 H new ATOM 936 N GLN A 119 12.660 -11.448 29.811 1.00 31.24 N ATOM 937 CA GLN A 119 13.077 -12.215 30.980 1.00 30.88 C ATOM 938 C GLN A 119 13.842 -11.315 31.953 1.00 30.33 C ATOM 939 O GLN A 119 14.383 -10.286 31.552 1.00 29.97 O ATOM 940 CB GLN A 119 13.966 -13.390 30.558 1.00 28.17 C ATOM 941 CG GLN A 119 13.215 -14.540 29.919 1.00 29.50 C ATOM 942 CD GLN A 119 14.139 -15.618 29.384 1.00 29.14 C ATOM 943 OE1 GLN A 119 14.210 -15.846 28.177 1.00 29.30 O ATOM 944 NE2 GLN A 119 14.853 -16.286 30.283 1.00 29.30 N ATOM 0 H GLN A 119 13.310 -11.082 29.383 1.00 31.24 H new ATOM 0 HA GLN A 119 12.285 -12.561 31.420 1.00 30.88 H new ATOM 0 HB2 GLN A 119 14.635 -13.068 29.934 1.00 28.17 H new ATOM 0 HB3 GLN A 119 14.440 -13.720 31.337 1.00 28.17 H new ATOM 0 HG2 GLN A 119 12.613 -14.930 30.572 1.00 29.50 H new ATOM 0 HG3 GLN A 119 12.667 -14.200 29.194 1.00 29.50 H new ATOM 0 HE21 GLN A 119 14.776 -16.098 31.119 1.00 29.30 H new ATOM 0 HE22 GLN A 119 15.392 -16.906 30.029 1.00 29.30 H new ATOM 945 N THR A 120 13.849 -11.685 33.232 1.00 27.04 N ATOM 946 CA THR A 120 14.577 -10.923 34.244 1.00 27.36 C ATOM 947 C THR A 120 15.965 -11.522 34.459 1.00 28.44 C ATOM 948 O THR A 120 16.138 -12.745 34.444 1.00 30.40 O ATOM 949 CB THR A 120 13.881 -10.956 35.614 1.00 25.99 C ATOM 950 OG1 THR A 120 13.731 -12.316 36.033 1.00 26.83 O ATOM 951 CG2 THR A 120 12.529 -10.281 35.558 1.00 24.75 C ATOM 0 H THR A 120 13.437 -12.376 33.535 1.00 27.04 H new ATOM 0 HA THR A 120 14.618 -10.012 33.913 1.00 27.36 H new ATOM 0 HB THR A 120 14.429 -10.472 36.252 1.00 25.99 H new ATOM 0 HG1 THR A 120 13.352 -12.338 36.782 1.00 26.83 H new ATOM 0 HG21 THR A 120 12.113 -10.316 36.434 1.00 24.75 H new ATOM 0 HG22 THR A 120 12.640 -9.355 35.290 1.00 24.75 H new ATOM 0 HG23 THR A 120 11.965 -10.738 34.914 1.00 24.75 H new ATOM 952 N ILE A 121 16.954 -10.660 34.663 1.00 26.80 N ATOM 953 CA ILE A 121 18.306 -11.133 34.911 1.00 23.94 C ATOM 954 C ILE A 121 18.613 -11.135 36.408 1.00 23.55 C ATOM 955 O ILE A 121 18.158 -10.261 37.151 1.00 24.16 O ATOM 956 CB ILE A 121 19.353 -10.319 34.121 1.00 24.50 C ATOM 957 CG1 ILE A 121 20.693 -11.053 34.143 1.00 22.62 C ATOM 958 CG2 ILE A 121 19.473 -8.904 34.674 1.00 18.89 C ATOM 959 CD1 ILE A 121 21.607 -10.670 33.028 1.00 24.65 C ATOM 0 H ILE A 121 16.863 -9.805 34.662 1.00 26.80 H new ATOM 0 HA ILE A 121 18.361 -12.047 34.592 1.00 23.94 H new ATOM 0 HB ILE A 121 19.065 -10.237 33.198 1.00 24.50 H new ATOM 0 HG12 ILE A 121 21.135 -10.876 34.988 1.00 22.62 H new ATOM 0 HG13 ILE A 121 20.530 -12.008 34.103 1.00 22.62 H new ATOM 0 HG21 ILE A 121 20.135 -8.412 34.164 1.00 18.89 H new ATOM 0 HG22 ILE A 121 18.615 -8.456 34.607 1.00 18.89 H new ATOM 0 HG23 ILE A 121 19.745 -8.942 35.604 1.00 18.89 H new ATOM 0 HD11 ILE A 121 22.435 -11.170 33.102 1.00 24.65 H new ATOM 0 HD12 ILE A 121 21.183 -10.870 32.179 1.00 24.65 H new ATOM 0 HD13 ILE A 121 21.798 -9.720 33.078 1.00 24.65 H new ATOM 960 N SER A 122 19.377 -12.133 36.841 1.00 23.86 N ATOM 961 CA SER A 122 19.731 -12.294 38.247 1.00 25.12 C ATOM 962 C SER A 122 20.731 -11.276 38.787 1.00 26.19 C ATOM 963 O SER A 122 21.544 -10.717 38.046 1.00 25.97 O ATOM 964 CB SER A 122 20.273 -13.706 38.493 1.00 25.37 C ATOM 965 OG SER A 122 19.315 -14.699 38.164 1.00 34.27 O ATOM 0 H SER A 122 19.706 -12.738 36.326 1.00 23.86 H new ATOM 0 HA SER A 122 18.905 -12.139 38.731 1.00 25.12 H new ATOM 0 HB2 SER A 122 21.075 -13.842 37.965 1.00 25.37 H new ATOM 0 HB3 SER A 122 20.528 -13.798 39.424 1.00 25.37 H new ATOM 0 HG SER A 122 19.640 -15.460 38.307 1.00 34.27 H new ATOM 966 N LEU A 123 20.643 -11.031 40.091 1.00 25.53 N ATOM 967 CA LEU A 123 21.547 -10.120 40.783 1.00 24.91 C ATOM 968 C LEU A 123 22.671 -10.950 41.400 1.00 25.93 C ATOM 969 O LEU A 123 22.528 -12.159 41.588 1.00 25.31 O ATOM 970 CB LEU A 123 20.801 -9.349 41.876 1.00 25.30 C ATOM 971 CG LEU A 123 19.783 -8.299 41.425 1.00 24.55 C ATOM 972 CD1 LEU A 123 19.097 -7.693 42.637 1.00 22.37 C ATOM 973 CD2 LEU A 123 20.474 -7.218 40.608 1.00 25.01 C ATOM 0 H LEU A 123 20.053 -11.392 40.602 1.00 25.53 H new ATOM 0 HA LEU A 123 21.908 -9.473 40.157 1.00 24.91 H new ATOM 0 HB2 LEU A 123 20.340 -9.993 42.436 1.00 25.30 H new ATOM 0 HB3 LEU A 123 21.460 -8.908 42.435 1.00 25.30 H new ATOM 0 HG LEU A 123 19.113 -8.724 40.867 1.00 24.55 H new ATOM 0 HD11 LEU A 123 18.453 -7.028 42.346 1.00 22.37 H new ATOM 0 HD12 LEU A 123 18.640 -8.390 43.133 1.00 22.37 H new ATOM 0 HD13 LEU A 123 19.759 -7.273 43.207 1.00 22.37 H new ATOM 0 HD21 LEU A 123 19.821 -6.558 40.327 1.00 25.01 H new ATOM 0 HD22 LEU A 123 21.155 -6.789 41.149 1.00 25.01 H new ATOM 0 HD23 LEU A 123 20.887 -7.617 39.826 1.00 25.01 H new ATOM 974 N PRO A 124 23.809 -10.312 41.714 1.00 25.86 N ATOM 975 CA PRO A 124 24.931 -11.043 42.308 1.00 27.84 C ATOM 976 C PRO A 124 24.803 -11.209 43.817 1.00 32.20 C ATOM 977 O PRO A 124 24.008 -10.525 44.467 1.00 30.61 O ATOM 978 CB PRO A 124 26.125 -10.163 41.954 1.00 24.36 C ATOM 979 CG PRO A 124 25.539 -8.789 42.018 1.00 23.73 C ATOM 980 CD PRO A 124 24.237 -8.971 41.275 1.00 25.05 C ATOM 0 HA PRO A 124 24.994 -11.952 41.976 1.00 27.84 H new ATOM 0 HB2 PRO A 124 26.855 -10.274 42.582 1.00 24.36 H new ATOM 0 HB3 PRO A 124 26.476 -10.366 41.073 1.00 24.36 H new ATOM 0 HG2 PRO A 124 25.398 -8.496 42.932 1.00 23.73 H new ATOM 0 HG3 PRO A 124 26.111 -8.130 41.594 1.00 23.73 H new ATOM 0 HD2 PRO A 124 23.588 -8.289 41.510 1.00 25.05 H new ATOM 0 HD3 PRO A 124 24.360 -8.927 40.314 1.00 25.05 H new ATOM 981 N SER A 125 25.571 -12.149 44.359 1.00 36.45 N ATOM 982 CA SER A 125 25.591 -12.395 45.793 1.00 40.04 C ATOM 983 C SER A 125 26.432 -11.284 46.415 1.00 43.10 C ATOM 984 O SER A 125 27.173 -10.597 45.710 1.00 40.21 O ATOM 985 CB SER A 125 26.222 -13.758 46.089 1.00 42.49 C ATOM 986 OG SER A 125 25.550 -14.798 45.395 1.00 47.90 O ATOM 0 H SER A 125 26.093 -12.660 43.906 1.00 36.45 H new ATOM 0 HA SER A 125 24.692 -12.401 46.157 1.00 40.04 H new ATOM 0 HB2 SER A 125 27.157 -13.747 45.832 1.00 42.49 H new ATOM 0 HB3 SER A 125 26.192 -13.931 47.043 1.00 42.49 H new ATOM 0 HG SER A 125 25.914 -15.534 45.572 1.00 47.90 H new ATOM 987 N MET A 126 26.291 -11.077 47.721 1.00 46.31 N ATOM 988 CA MET A 126 27.058 -10.037 48.396 1.00 51.08 C ATOM 989 C MET A 126 28.555 -10.156 48.118 1.00 51.73 C ATOM 990 O MET A 126 29.190 -11.141 48.498 1.00 49.44 O ATOM 991 CB MET A 126 26.806 -10.064 49.906 1.00 55.84 C ATOM 992 CG MET A 126 25.649 -9.195 50.363 1.00 61.17 C ATOM 993 SD MET A 126 26.227 -7.675 51.140 1.00 65.76 S ATOM 994 CE MET A 126 24.673 -6.832 51.429 1.00 63.35 C ATOM 0 H MET A 126 25.761 -11.524 48.230 1.00 46.31 H new ATOM 0 HA MET A 126 26.754 -9.188 48.038 1.00 51.08 H new ATOM 0 HB2 MET A 126 26.636 -10.979 50.178 1.00 55.84 H new ATOM 0 HB3 MET A 126 27.612 -9.777 50.363 1.00 55.84 H new ATOM 0 HG2 MET A 126 25.087 -8.977 49.603 1.00 61.17 H new ATOM 0 HG3 MET A 126 25.099 -9.691 50.990 1.00 61.17 H new ATOM 0 HE1 MET A 126 24.820 -6.075 52.017 1.00 63.35 H new ATOM 0 HE2 MET A 126 24.312 -6.520 50.585 1.00 63.35 H new ATOM 0 HE3 MET A 126 24.044 -7.444 51.842 1.00 63.35 H new ATOM 995 N TYR A 127 29.098 -9.142 47.447 1.00 53.59 N ATOM 996 CA TYR A 127 30.521 -9.055 47.103 1.00 55.30 C ATOM 997 C TYR A 127 31.051 -10.135 46.158 1.00 55.31 C ATOM 998 O TYR A 127 32.256 -10.188 45.902 1.00 55.37 O ATOM 999 CB TYR A 127 31.382 -9.061 48.368 1.00 56.32 C ATOM 1000 CG TYR A 127 31.195 -7.846 49.248 1.00 58.39 C ATOM 1001 CD1 TYR A 127 31.144 -7.971 50.635 1.00 60.00 C ATOM 1002 CD2 TYR A 127 31.087 -6.569 48.698 1.00 59.19 C ATOM 1003 CE1 TYR A 127 30.994 -6.856 51.454 1.00 62.18 C ATOM 1004 CE2 TYR A 127 30.937 -5.446 49.507 1.00 60.48 C ATOM 1005 CZ TYR A 127 30.891 -5.598 50.883 1.00 62.08 C ATOM 1006 OH TYR A 127 30.749 -4.491 51.686 1.00 60.61 O ATOM 0 H TYR A 127 28.640 -8.468 47.172 1.00 53.59 H new ATOM 0 HA TYR A 127 30.588 -8.217 46.620 1.00 55.30 H new ATOM 0 HB2 TYR A 127 31.177 -9.856 48.884 1.00 56.32 H new ATOM 0 HB3 TYR A 127 32.316 -9.122 48.112 1.00 56.32 H new ATOM 0 HD1 TYR A 127 31.211 -8.815 51.020 1.00 60.00 H new ATOM 0 HD2 TYR A 127 31.116 -6.466 47.774 1.00 59.19 H new ATOM 0 HE1 TYR A 127 30.963 -6.955 52.378 1.00 62.18 H new ATOM 0 HE2 TYR A 127 30.868 -4.600 49.126 1.00 60.48 H new ATOM 0 HH TYR A 127 30.700 -3.802 51.208 1.00 60.61 H new ATOM 1007 N ASN A 128 30.179 -11.018 45.683 1.00 54.76 N ATOM 1008 CA ASN A 128 30.610 -12.085 44.782 1.00 53.10 C ATOM 1009 C ASN A 128 30.604 -11.616 43.328 1.00 50.12 C ATOM 1010 O ASN A 128 29.555 -11.574 42.680 1.00 48.69 O ATOM 1011 CB ASN A 128 29.721 -13.321 44.948 1.00 55.40 C ATOM 1012 CG ASN A 128 30.412 -14.601 44.510 1.00 57.70 C ATOM 1013 OD1 ASN A 128 30.849 -15.396 45.343 1.00 58.79 O ATOM 1014 ND2 ASN A 128 30.502 -14.814 43.203 1.00 56.72 N ATOM 0 H ASN A 128 29.339 -11.019 45.867 1.00 54.76 H new ATOM 0 HA ASN A 128 31.520 -12.323 45.017 1.00 53.10 H new ATOM 0 HB2 ASN A 128 29.456 -13.402 45.878 1.00 55.40 H new ATOM 0 HB3 ASN A 128 28.909 -13.203 44.431 1.00 55.40 H new ATOM 0 HD21 ASN A 128 30.877 -15.530 42.909 1.00 56.72 H new ATOM 0 HD22 ASN A 128 30.185 -14.236 42.650 1.00 56.72 H new ATOM 1015 N ASP A 129 31.783 -11.256 42.829 1.00 46.77 N ATOM 1016 CA ASP A 129 31.940 -10.779 41.458 1.00 44.63 C ATOM 1017 C ASP A 129 32.806 -11.727 40.632 1.00 42.90 C ATOM 1018 O ASP A 129 33.491 -12.594 41.178 1.00 41.52 O ATOM 1019 CB ASP A 129 32.577 -9.382 41.451 1.00 44.67 C ATOM 1020 CG ASP A 129 31.690 -8.328 42.082 1.00 47.48 C ATOM 1021 OD1 ASP A 129 30.625 -8.019 41.506 1.00 48.79 O ATOM 1022 OD2 ASP A 129 32.067 -7.791 43.144 1.00 49.37 O ATOM 0 H ASP A 129 32.517 -11.282 43.277 1.00 46.77 H new ATOM 0 HA ASP A 129 31.056 -10.741 41.060 1.00 44.63 H new ATOM 0 HB2 ASP A 129 33.422 -9.414 41.926 1.00 44.67 H new ATOM 0 HB3 ASP A 129 32.775 -9.126 40.537 1.00 44.67 H new ATOM 1023 N PRO A 130 32.769 -11.586 39.295 1.00 42.81 N ATOM 1024 CA PRO A 130 33.583 -12.462 38.447 1.00 42.39 C ATOM 1025 C PRO A 130 35.051 -12.062 38.545 1.00 42.02 C ATOM 1026 O PRO A 130 35.372 -10.872 38.591 1.00 41.15 O ATOM 1027 CB PRO A 130 33.028 -12.186 37.052 1.00 42.07 C ATOM 1028 CG PRO A 130 31.592 -11.901 37.319 1.00 40.41 C ATOM 1029 CD PRO A 130 31.672 -10.985 38.515 1.00 42.23 C ATOM 0 HA PRO A 130 33.543 -13.400 38.691 1.00 42.39 H new ATOM 0 HB2 PRO A 130 33.472 -11.434 36.630 1.00 42.07 H new ATOM 0 HB3 PRO A 130 33.140 -12.948 36.463 1.00 42.07 H new ATOM 0 HG2 PRO A 130 31.160 -11.474 36.563 1.00 40.41 H new ATOM 0 HG3 PRO A 130 31.091 -12.709 37.513 1.00 40.41 H new ATOM 0 HD2 PRO A 130 31.869 -10.070 38.258 1.00 42.23 H new ATOM 0 HD3 PRO A 130 30.840 -10.967 39.014 1.00 42.23 H new ATOM 1030 N GLN A 131 35.934 -13.055 38.593 1.00 41.53 N ATOM 1031 CA GLN A 131 37.368 -12.799 38.685 1.00 42.00 C ATOM 1032 C GLN A 131 37.811 -11.918 37.518 1.00 41.24 C ATOM 1033 O GLN A 131 37.273 -12.019 36.417 1.00 41.04 O ATOM 1034 CB GLN A 131 38.143 -14.119 38.683 1.00 43.81 C ATOM 1035 CG GLN A 131 39.151 -14.248 39.817 1.00 47.41 C ATOM 1036 CD GLN A 131 38.861 -15.426 40.732 0.00 46.54 C ATOM 1037 OE1 GLN A 131 37.934 -15.386 41.542 0.00 46.92 O ATOM 1038 NE2 GLN A 131 39.663 -16.478 40.615 0.00 46.92 N ATOM 0 H GLN A 131 35.722 -13.888 38.573 1.00 41.53 H new ATOM 0 HA GLN A 131 37.555 -12.336 39.517 1.00 42.00 H new ATOM 0 HB2 GLN A 131 37.512 -14.854 38.738 1.00 43.81 H new ATOM 0 HB3 GLN A 131 38.609 -14.208 37.837 1.00 43.81 H new ATOM 0 HG2 GLN A 131 40.041 -14.345 39.444 1.00 47.41 H new ATOM 0 HG3 GLN A 131 39.150 -13.431 40.339 1.00 47.41 H new ATOM 0 HE21 GLN A 131 40.301 -16.471 40.038 0.00 46.92 H new ATOM 0 HE22 GLN A 131 39.545 -17.167 41.116 0.00 46.92 H new ATOM 1039 N PHE A 132 38.763 -11.026 37.776 1.00 38.53 N ATOM 1040 CA PHE A 132 39.256 -10.120 36.745 1.00 35.16 C ATOM 1041 C PHE A 132 39.851 -10.863 35.554 1.00 31.11 C ATOM 1042 O PHE A 132 40.614 -11.817 35.717 1.00 30.17 O ATOM 1043 CB PHE A 132 40.271 -9.142 37.337 1.00 36.94 C ATOM 1044 CG PHE A 132 39.701 -8.259 38.411 1.00 37.70 C ATOM 1045 CD1 PHE A 132 40.158 -8.351 39.720 1.00 36.99 C ATOM 1046 CD2 PHE A 132 38.692 -7.347 38.116 1.00 37.33 C ATOM 1047 CE1 PHE A 132 39.620 -7.548 40.722 1.00 36.81 C ATOM 1048 CE2 PHE A 132 38.147 -6.539 39.110 1.00 39.47 C ATOM 1049 CZ PHE A 132 38.612 -6.641 40.416 1.00 37.87 C ATOM 0 H PHE A 132 39.137 -10.930 38.544 1.00 38.53 H new ATOM 0 HA PHE A 132 38.494 -9.621 36.412 1.00 35.16 H new ATOM 0 HB2 PHE A 132 41.016 -9.643 37.703 1.00 36.94 H new ATOM 0 HB3 PHE A 132 40.625 -8.586 36.626 1.00 36.94 H new ATOM 0 HD1 PHE A 132 40.832 -8.957 39.929 1.00 36.99 H new ATOM 0 HD2 PHE A 132 38.378 -7.276 37.244 1.00 37.33 H new ATOM 0 HE1 PHE A 132 39.934 -7.618 41.594 1.00 36.81 H new ATOM 0 HE2 PHE A 132 37.474 -5.933 38.901 1.00 39.47 H new ATOM 0 HZ PHE A 132 38.250 -6.104 41.083 1.00 37.87 H new ATOM 1050 N GLY A 133 39.527 -10.382 34.359 1.00 29.95 N ATOM 1051 CA GLY A 133 40.000 -11.017 33.143 1.00 30.58 C ATOM 1052 C GLY A 133 38.902 -11.857 32.520 1.00 30.34 C ATOM 1053 O GLY A 133 39.115 -12.518 31.501 1.00 31.78 O ATOM 0 H GLY A 133 39.034 -9.689 34.234 1.00 29.95 H new ATOM 0 HA2 GLY A 133 40.295 -10.341 32.513 1.00 30.58 H new ATOM 0 HA3 GLY A 133 40.768 -11.575 33.341 1.00 30.58 H new ATOM 1054 N THR A 134 37.725 -11.827 33.139 1.00 31.16 N ATOM 1055 CA THR A 134 36.567 -12.574 32.664 1.00 29.82 C ATOM 1056 C THR A 134 35.788 -11.759 31.631 1.00 28.60 C ATOM 1057 O THR A 134 35.643 -10.539 31.757 1.00 28.56 O ATOM 1058 CB THR A 134 35.636 -12.970 33.843 1.00 31.91 C ATOM 1059 OG1 THR A 134 36.210 -14.073 34.558 1.00 34.52 O ATOM 1060 CG2 THR A 134 34.254 -13.379 33.346 1.00 32.49 C ATOM 0 H THR A 134 37.576 -11.369 33.851 1.00 31.16 H new ATOM 0 HA THR A 134 36.890 -13.386 32.244 1.00 29.82 H new ATOM 0 HB THR A 134 35.544 -12.197 34.422 1.00 31.91 H new ATOM 0 HG1 THR A 134 36.632 -13.786 35.225 1.00 34.52 H new ATOM 0 HG21 THR A 134 33.696 -13.620 34.102 1.00 32.49 H new ATOM 0 HG22 THR A 134 33.849 -12.638 32.869 1.00 32.49 H new ATOM 0 HG23 THR A 134 34.336 -14.140 32.750 1.00 32.49 H new ATOM 1061 N SER A 135 35.293 -12.446 30.608 1.00 26.79 N ATOM 1062 CA SER A 135 34.529 -11.815 29.540 1.00 23.95 C ATOM 1063 C SER A 135 33.085 -11.555 29.957 1.00 21.02 C ATOM 1064 O SER A 135 32.431 -12.427 30.512 1.00 19.55 O ATOM 1065 CB SER A 135 34.555 -12.701 28.298 1.00 26.29 C ATOM 1066 OG SER A 135 35.879 -12.921 27.866 1.00 34.17 O ATOM 0 H SER A 135 35.391 -13.295 30.514 1.00 26.79 H new ATOM 0 HA SER A 135 34.940 -10.959 29.345 1.00 23.95 H new ATOM 0 HB2 SER A 135 34.129 -13.550 28.493 1.00 26.29 H new ATOM 0 HB3 SER A 135 34.044 -12.283 27.587 1.00 26.29 H new ATOM 0 HG SER A 135 35.874 -13.411 27.184 1.00 34.17 H new ATOM 1067 N CYS A 136 32.583 -10.366 29.657 1.00 19.29 N ATOM 1068 CA CYS A 136 31.217 -9.999 29.997 1.00 19.58 C ATOM 1069 C CYS A 136 30.615 -9.225 28.820 1.00 21.29 C ATOM 1070 O CYS A 136 31.348 -8.676 27.991 1.00 20.19 O ATOM 1071 CB CYS A 136 31.210 -9.135 31.260 1.00 19.45 C ATOM 1072 SG CYS A 136 31.852 -9.940 32.770 1.00 21.48 S ATOM 0 H CYS A 136 33.024 -9.749 29.251 1.00 19.29 H new ATOM 0 HA CYS A 136 30.690 -10.795 30.169 1.00 19.58 H new ATOM 0 HB2 CYS A 136 31.735 -8.337 31.090 1.00 19.45 H new ATOM 0 HB3 CYS A 136 30.300 -8.845 31.429 1.00 19.45 H new ATOM 1073 N GLU A 137 29.287 -9.196 28.734 1.00 20.66 N ATOM 1074 CA GLU A 137 28.626 -8.481 27.650 1.00 19.94 C ATOM 1075 C GLU A 137 27.876 -7.227 28.079 1.00 19.52 C ATOM 1076 O GLU A 137 27.469 -7.090 29.234 1.00 18.38 O ATOM 1077 CB GLU A 137 27.694 -9.406 26.862 1.00 19.56 C ATOM 1078 CG GLU A 137 26.434 -9.874 27.575 1.00 21.56 C ATOM 1079 CD GLU A 137 25.433 -10.535 26.623 1.00 23.34 C ATOM 1080 OE1 GLU A 137 25.599 -10.415 25.393 1.00 28.39 O ATOM 1081 OE2 GLU A 137 24.469 -11.169 27.095 1.00 25.08 O ATOM 0 H GLU A 137 28.755 -9.581 29.290 1.00 20.66 H new ATOM 0 HA GLU A 137 29.349 -8.178 27.079 1.00 19.94 H new ATOM 0 HB2 GLU A 137 27.430 -8.948 26.049 1.00 19.56 H new ATOM 0 HB3 GLU A 137 28.200 -10.189 26.595 1.00 19.56 H new ATOM 0 HG2 GLU A 137 26.676 -10.503 28.273 1.00 21.56 H new ATOM 0 HG3 GLU A 137 26.011 -9.117 28.009 1.00 21.56 H new ATOM 1082 N ILE A 138 27.768 -6.283 27.149 1.00 18.80 N ATOM 1083 CA ILE A 138 27.048 -5.033 27.375 1.00 20.43 C ATOM 1084 C ILE A 138 26.136 -4.808 26.185 1.00 21.72 C ATOM 1085 O ILE A 138 26.478 -5.161 25.058 1.00 24.59 O ATOM 1086 CB ILE A 138 27.987 -3.831 27.574 1.00 18.24 C ATOM 1087 CG1 ILE A 138 29.063 -3.800 26.493 1.00 18.61 C ATOM 1088 CG2 ILE A 138 28.601 -3.885 28.965 1.00 18.73 C ATOM 1089 CD1 ILE A 138 30.086 -2.680 26.666 1.00 19.46 C ATOM 0 H ILE A 138 28.113 -6.350 26.364 1.00 18.80 H new ATOM 0 HA ILE A 138 26.539 -5.108 28.197 1.00 20.43 H new ATOM 0 HB ILE A 138 27.474 -3.011 27.496 1.00 18.24 H new ATOM 0 HG12 ILE A 138 29.527 -4.652 26.488 1.00 18.61 H new ATOM 0 HG13 ILE A 138 28.636 -3.704 25.627 1.00 18.61 H new ATOM 0 HG21 ILE A 138 29.192 -3.126 29.088 1.00 18.73 H new ATOM 0 HG22 ILE A 138 27.897 -3.856 29.631 1.00 18.73 H new ATOM 0 HG23 ILE A 138 29.106 -4.707 29.064 1.00 18.73 H new ATOM 0 HD11 ILE A 138 30.736 -2.721 25.947 1.00 19.46 H new ATOM 0 HD12 ILE A 138 29.634 -1.822 26.644 1.00 19.46 H new ATOM 0 HD13 ILE A 138 30.539 -2.784 27.517 1.00 19.46 H new ATOM 1090 N THR A 139 24.960 -4.252 26.433 1.00 21.25 N ATOM 1091 CA THR A 139 24.007 -4.046 25.360 1.00 22.35 C ATOM 1092 C THR A 139 23.496 -2.625 25.357 1.00 20.37 C ATOM 1093 O THR A 139 23.411 -1.990 26.404 1.00 22.18 O ATOM 1094 CB THR A 139 22.805 -5.000 25.520 1.00 26.37 C ATOM 1095 OG1 THR A 139 23.272 -6.279 25.970 1.00 32.66 O ATOM 1096 CG2 THR A 139 22.083 -5.186 24.195 1.00 25.46 C ATOM 0 H THR A 139 24.697 -3.990 27.209 1.00 21.25 H new ATOM 0 HA THR A 139 24.464 -4.225 24.524 1.00 22.35 H new ATOM 0 HB THR A 139 22.191 -4.614 26.165 1.00 26.37 H new ATOM 0 HG1 THR A 139 22.918 -6.462 26.709 1.00 32.66 H new ATOM 0 HG21 THR A 139 21.332 -5.788 24.317 1.00 25.46 H new ATOM 0 HG22 THR A 139 21.761 -4.328 23.879 1.00 25.46 H new ATOM 0 HG23 THR A 139 22.695 -5.561 23.543 1.00 25.46 H new ATOM 1097 N GLY A 140 23.140 -2.137 24.173 1.00 20.24 N ATOM 1098 CA GLY A 140 22.629 -0.790 24.066 1.00 17.06 C ATOM 1099 C GLY A 140 22.349 -0.270 22.672 1.00 15.40 C ATOM 1100 O GLY A 140 22.676 -0.898 21.662 1.00 17.49 O ATOM 0 H GLY A 140 23.188 -2.569 23.431 1.00 20.24 H new ATOM 0 HA2 GLY A 140 21.807 -0.738 24.578 1.00 17.06 H new ATOM 0 HA3 GLY A 140 23.265 -0.192 24.489 1.00 17.06 H new ATOM 1101 N PHE A 141 21.723 0.903 22.657 1.00 13.82 N ATOM 1102 CA PHE A 141 21.340 1.638 21.464 1.00 9.56 C ATOM 1103 C PHE A 141 22.229 2.866 21.358 1.00 12.49 C ATOM 1104 O PHE A 141 21.866 3.841 20.688 1.00 13.83 O ATOM 1105 CB PHE A 141 19.902 2.126 21.597 1.00 9.72 C ATOM 1106 CG PHE A 141 18.871 1.072 21.350 1.00 13.45 C ATOM 1107 CD1 PHE A 141 18.746 0.485 20.091 1.00 9.89 C ATOM 1108 CD2 PHE A 141 17.998 0.682 22.367 1.00 12.23 C ATOM 1109 CE1 PHE A 141 17.771 -0.472 19.848 1.00 7.23 C ATOM 1110 CE2 PHE A 141 17.015 -0.276 22.129 1.00 9.82 C ATOM 1111 CZ PHE A 141 16.904 -0.854 20.864 1.00 7.75 C ATOM 0 H PHE A 141 21.500 1.310 23.381 1.00 13.82 H new ATOM 0 HA PHE A 141 21.428 1.062 20.688 1.00 9.56 H new ATOM 0 HB2 PHE A 141 19.775 2.486 22.489 1.00 9.72 H new ATOM 0 HB3 PHE A 141 19.760 2.855 20.974 1.00 9.72 H new ATOM 0 HD1 PHE A 141 19.323 0.738 19.407 1.00 9.89 H new ATOM 0 HD2 PHE A 141 18.073 1.065 23.211 1.00 12.23 H new ATOM 0 HE1 PHE A 141 17.698 -0.858 19.005 1.00 7.23 H new ATOM 0 HE2 PHE A 141 16.435 -0.529 22.811 1.00 9.82 H new ATOM 0 HZ PHE A 141 16.250 -1.495 20.701 1.00 7.75 H new ATOM 1112 N GLY A 142 23.371 2.832 22.045 1.00 11.57 N ATOM 1113 CA GLY A 142 24.283 3.960 22.037 1.00 11.30 C ATOM 1114 C GLY A 142 25.018 4.122 20.727 1.00 13.47 C ATOM 1115 O GLY A 142 24.972 3.240 19.878 1.00 15.68 O ATOM 0 H GLY A 142 23.631 2.163 22.520 1.00 11.57 H new ATOM 0 HA2 GLY A 142 23.786 4.772 22.225 1.00 11.30 H new ATOM 0 HA3 GLY A 142 24.929 3.851 22.752 1.00 11.30 H new ATOM 1116 N LYS A 143 25.725 5.239 20.591 1.00 14.34 N ATOM 1117 CA LYS A 143 26.503 5.560 19.401 1.00 14.34 C ATOM 1118 C LYS A 143 27.505 4.473 18.999 1.00 15.73 C ATOM 1119 O LYS A 143 28.054 3.768 19.849 1.00 13.63 O ATOM 1120 CB LYS A 143 27.228 6.889 19.620 1.00 15.49 C ATOM 1121 CG LYS A 143 26.292 8.076 19.625 1.00 18.83 C ATOM 1122 CD LYS A 143 26.830 9.269 20.382 1.00 21.49 C ATOM 1123 CE LYS A 143 28.165 9.737 19.863 1.00 26.16 C ATOM 1124 NZ LYS A 143 28.535 11.045 20.490 1.00 31.15 N ATOM 0 H LYS A 143 25.766 5.844 21.201 1.00 14.34 H new ATOM 0 HA LYS A 143 25.875 5.624 18.664 1.00 14.34 H new ATOM 0 HB2 LYS A 143 27.706 6.856 20.463 1.00 15.49 H new ATOM 0 HB3 LYS A 143 27.891 7.009 18.923 1.00 15.49 H new ATOM 0 HG2 LYS A 143 26.111 8.339 18.709 1.00 18.83 H new ATOM 0 HG3 LYS A 143 25.446 7.809 20.017 1.00 18.83 H new ATOM 0 HD2 LYS A 143 26.192 9.997 20.325 1.00 21.49 H new ATOM 0 HD3 LYS A 143 26.915 9.040 21.321 1.00 21.49 H new ATOM 0 HE2 LYS A 143 28.846 9.074 20.058 1.00 26.16 H new ATOM 0 HE3 LYS A 143 28.129 9.832 18.898 1.00 26.16 H new ATOM 0 HZ1 LYS A 143 29.237 11.390 20.066 1.00 31.15 H new ATOM 0 HZ2 LYS A 143 27.848 11.608 20.431 1.00 31.15 H new ATOM 0 HZ3 LYS A 143 28.740 10.916 21.346 1.00 31.15 H new ATOM 1125 N GLU A 144 27.708 4.336 17.688 1.00 19.04 N ATOM 1126 CA GLU A 144 28.629 3.360 17.116 1.00 20.04 C ATOM 1127 C GLU A 144 30.007 3.966 16.894 1.00 21.98 C ATOM 1128 O GLU A 144 30.980 3.248 16.646 1.00 22.40 O ATOM 1129 CB GLU A 144 28.100 2.853 15.781 1.00 21.80 C ATOM 1130 CG GLU A 144 26.756 2.179 15.860 1.00 26.41 C ATOM 1131 CD GLU A 144 26.348 1.565 14.540 1.00 24.41 C ATOM 1132 OE1 GLU A 144 25.919 2.317 13.638 1.00 30.11 O ATOM 1133 OE2 GLU A 144 26.457 0.334 14.405 1.00 15.74 O ATOM 0 H GLU A 144 27.307 4.817 17.099 1.00 19.04 H new ATOM 0 HA GLU A 144 28.702 2.626 17.746 1.00 20.04 H new ATOM 0 HB2 GLU A 144 28.039 3.600 15.165 1.00 21.80 H new ATOM 0 HB3 GLU A 144 28.741 2.228 15.408 1.00 21.80 H new ATOM 0 HG2 GLU A 144 26.781 1.490 16.542 1.00 26.41 H new ATOM 0 HG3 GLU A 144 26.087 2.826 16.135 1.00 26.41 H new ATOM 1134 N ASN A 145 30.060 5.293 16.920 1.00 23.90 N ATOM 1135 CA ASN A 145 31.286 6.065 16.737 1.00 30.38 C ATOM 1136 C ASN A 145 31.056 7.358 17.502 1.00 33.11 C ATOM 1137 O ASN A 145 29.920 7.829 17.588 1.00 34.41 O ATOM 1138 CB ASN A 145 31.504 6.420 15.255 1.00 33.33 C ATOM 1139 CG ASN A 145 31.615 5.197 14.363 1.00 37.02 C ATOM 1140 OD1 ASN A 145 32.651 4.525 14.340 1.00 39.90 O ATOM 1141 ND2 ASN A 145 30.543 4.900 13.623 1.00 34.06 N ATOM 0 H ASN A 145 29.365 5.784 17.048 1.00 23.90 H new ATOM 0 HA ASN A 145 32.058 5.563 17.041 1.00 30.38 H new ATOM 0 HB2 ASN A 145 30.768 6.972 14.948 1.00 33.33 H new ATOM 0 HB3 ASN A 145 32.312 6.951 15.170 1.00 33.33 H new ATOM 0 HD21 ASN A 145 30.556 4.216 13.102 1.00 34.06 H new ATOM 0 HD22 ASN A 145 29.840 5.393 13.667 1.00 34.06 H new ATOM 1142 N SER A 146 32.117 7.948 18.041 1.00 34.79 N ATOM 1143 CA SER A 146 31.965 9.200 18.772 1.00 35.53 C ATOM 1144 C SER A 146 31.539 10.342 17.850 1.00 35.40 C ATOM 1145 O SER A 146 30.888 11.288 18.297 1.00 36.41 O ATOM 1146 CB SER A 146 33.264 9.573 19.496 1.00 38.64 C ATOM 1147 OG SER A 146 33.430 8.818 20.685 1.00 44.23 O ATOM 0 H SER A 146 32.921 7.646 17.997 1.00 34.79 H new ATOM 0 HA SER A 146 31.265 9.063 19.430 1.00 35.53 H new ATOM 0 HB2 SER A 146 34.019 9.421 18.907 1.00 38.64 H new ATOM 0 HB3 SER A 146 33.257 10.519 19.710 1.00 38.64 H new ATOM 0 HG SER A 146 34.148 9.040 21.060 1.00 44.23 H new ATOM 1148 N THR A 147 31.882 10.240 16.563 1.00 32.79 N ATOM 1149 CA THR A 147 31.550 11.284 15.598 1.00 32.96 C ATOM 1150 C THR A 147 30.071 11.305 15.234 1.00 33.36 C ATOM 1151 O THR A 147 29.558 12.299 14.719 1.00 33.32 O ATOM 1152 CB THR A 147 32.384 11.156 14.315 1.00 34.03 C ATOM 1153 OG1 THR A 147 32.035 9.947 13.630 1.00 42.08 O ATOM 1154 CG2 THR A 147 33.864 11.146 14.645 1.00 32.46 C ATOM 0 H THR A 147 32.308 9.571 16.231 1.00 32.79 H new ATOM 0 HA THR A 147 31.764 12.121 16.039 1.00 32.96 H new ATOM 0 HB THR A 147 32.196 11.917 13.744 1.00 34.03 H new ATOM 0 HG1 THR A 147 32.492 9.881 12.928 1.00 42.08 H new ATOM 0 HG21 THR A 147 34.378 11.065 13.826 1.00 32.46 H new ATOM 0 HG22 THR A 147 34.101 11.972 15.094 1.00 32.46 H new ATOM 0 HG23 THR A 147 34.061 10.395 15.226 1.00 32.46 H new ATOM 1155 N ASP A 148 29.382 10.210 15.529 1.00 34.57 N ATOM 1156 CA ASP A 148 27.959 10.100 15.239 1.00 35.17 C ATOM 1157 C ASP A 148 27.123 10.969 16.173 1.00 33.42 C ATOM 1158 O ASP A 148 27.490 11.195 17.322 1.00 34.98 O ATOM 1159 CB ASP A 148 27.506 8.640 15.365 1.00 37.25 C ATOM 1160 CG ASP A 148 28.061 7.744 14.264 1.00 39.30 C ATOM 1161 OD1 ASP A 148 28.886 8.202 13.437 1.00 44.57 O ATOM 1162 OD2 ASP A 148 27.661 6.563 14.226 1.00 40.59 O ATOM 0 H ASP A 148 29.723 9.514 15.901 1.00 34.57 H new ATOM 0 HA ASP A 148 27.823 10.412 14.331 1.00 35.17 H new ATOM 0 HB2 ASP A 148 27.785 8.294 16.227 1.00 37.25 H new ATOM 0 HB3 ASP A 148 26.537 8.605 15.345 1.00 37.25 H new ATOM 1163 N TYR A 149 25.998 11.456 15.665 1.00 30.95 N ATOM 1164 CA TYR A 149 25.089 12.272 16.456 1.00 28.39 C ATOM 1165 C TYR A 149 23.733 11.570 16.574 1.00 27.58 C ATOM 1166 O TYR A 149 22.795 12.096 17.178 1.00 28.42 O ATOM 1167 CB TYR A 149 24.945 13.662 15.817 1.00 28.44 C ATOM 1168 CG TYR A 149 24.357 13.646 14.429 1.00 29.05 C ATOM 1169 CD1 TYR A 149 25.172 13.492 13.307 1.00 29.57 C ATOM 1170 CD2 TYR A 149 22.982 13.793 14.233 1.00 29.81 C ATOM 1171 CE1 TYR A 149 24.637 13.482 12.023 1.00 28.48 C ATOM 1172 CE2 TYR A 149 22.435 13.787 12.954 1.00 29.09 C ATOM 1173 CZ TYR A 149 23.269 13.631 11.854 1.00 29.35 C ATOM 1174 OH TYR A 149 22.738 13.622 10.590 1.00 26.88 O ATOM 0 H TYR A 149 25.741 11.323 14.855 1.00 30.95 H new ATOM 0 HA TYR A 149 25.448 12.388 17.350 1.00 28.39 H new ATOM 0 HB2 TYR A 149 24.387 14.213 16.388 1.00 28.44 H new ATOM 0 HB3 TYR A 149 25.818 14.083 15.783 1.00 28.44 H new ATOM 0 HD1 TYR A 149 26.090 13.394 13.420 1.00 29.57 H new ATOM 0 HD2 TYR A 149 22.423 13.897 14.969 1.00 29.81 H new ATOM 0 HE1 TYR A 149 25.192 13.376 11.284 1.00 28.48 H new ATOM 0 HE2 TYR A 149 21.518 13.887 12.836 1.00 29.09 H new ATOM 0 HH TYR A 149 21.905 13.720 10.635 1.00 26.88 H new ATOM 1175 N LEU A 150 23.652 10.374 15.994 1.00 25.78 N ATOM 1176 CA LEU A 150 22.440 9.560 16.011 1.00 26.50 C ATOM 1177 C LEU A 150 22.720 8.164 16.554 1.00 26.30 C ATOM 1178 O LEU A 150 23.831 7.642 16.427 1.00 25.29 O ATOM 1179 CB LEU A 150 21.859 9.437 14.598 1.00 28.94 C ATOM 1180 CG LEU A 150 21.238 10.670 13.938 1.00 29.27 C ATOM 1181 CD1 LEU A 150 20.831 10.336 12.512 1.00 28.42 C ATOM 1182 CD2 LEU A 150 20.039 11.147 14.740 1.00 25.51 C ATOM 0 H LEU A 150 24.308 10.009 15.575 1.00 25.78 H new ATOM 0 HA LEU A 150 21.801 10.002 16.592 1.00 26.50 H new ATOM 0 HB2 LEU A 150 22.568 9.120 14.017 1.00 28.94 H new ATOM 0 HB3 LEU A 150 21.180 8.744 14.620 1.00 28.94 H new ATOM 0 HG LEU A 150 21.893 11.385 13.917 1.00 29.27 H new ATOM 0 HD11 LEU A 150 20.438 11.119 12.096 1.00 28.42 H new ATOM 0 HD12 LEU A 150 21.613 10.061 12.008 1.00 28.42 H new ATOM 0 HD13 LEU A 150 20.182 9.615 12.521 1.00 28.42 H new ATOM 0 HD21 LEU A 150 19.654 11.928 14.313 1.00 25.51 H new ATOM 0 HD22 LEU A 150 19.375 10.441 14.781 1.00 25.51 H new ATOM 0 HD23 LEU A 150 20.322 11.377 15.639 1.00 25.51 H new ATOM 1183 N TYR A 151 21.705 7.569 17.169 1.00 26.30 N ATOM 1184 CA TYR A 151 21.821 6.224 17.714 1.00 28.89 C ATOM 1185 C TYR A 151 21.404 5.211 16.657 1.00 26.73 C ATOM 1186 O TYR A 151 20.603 5.519 15.775 1.00 28.22 O ATOM 1187 CB TYR A 151 20.925 6.070 18.944 1.00 28.19 C ATOM 1188 CG TYR A 151 21.301 6.972 20.092 1.00 31.56 C ATOM 1189 CD1 TYR A 151 22.629 7.104 20.492 1.00 31.23 C ATOM 1190 CD2 TYR A 151 20.329 7.691 20.783 1.00 31.99 C ATOM 1191 CE1 TYR A 151 22.982 7.929 21.552 1.00 29.65 C ATOM 1192 CE2 TYR A 151 20.671 8.520 21.847 1.00 31.95 C ATOM 1193 CZ TYR A 151 21.998 8.630 22.229 1.00 31.30 C ATOM 1194 OH TYR A 151 22.344 9.435 23.288 1.00 30.40 O ATOM 0 H TYR A 151 20.933 7.932 17.282 1.00 26.30 H new ATOM 0 HA TYR A 151 22.743 6.069 17.974 1.00 28.89 H new ATOM 0 HB2 TYR A 151 20.007 6.252 18.689 1.00 28.19 H new ATOM 0 HB3 TYR A 151 20.959 5.148 19.244 1.00 28.19 H new ATOM 0 HD1 TYR A 151 23.291 6.631 20.041 1.00 31.23 H new ATOM 0 HD2 TYR A 151 19.437 7.616 20.529 1.00 31.99 H new ATOM 0 HE1 TYR A 151 23.873 8.010 21.805 1.00 29.65 H new ATOM 0 HE2 TYR A 151 20.013 8.997 22.299 1.00 31.95 H new ATOM 0 HH TYR A 151 21.654 9.797 23.602 1.00 30.40 H new ATOM 1195 N PRO A 152 21.973 3.996 16.711 1.00 25.50 N ATOM 1196 CA PRO A 152 21.629 2.952 15.742 1.00 25.09 C ATOM 1197 C PRO A 152 20.224 2.426 16.033 1.00 26.69 C ATOM 1198 O PRO A 152 19.850 2.265 17.198 1.00 28.58 O ATOM 1199 CB PRO A 152 22.701 1.889 15.996 1.00 24.12 C ATOM 1200 CG PRO A 152 23.039 2.081 17.445 1.00 27.07 C ATOM 1201 CD PRO A 152 23.111 3.579 17.547 1.00 27.04 C ATOM 0 HA PRO A 152 21.615 3.248 14.818 1.00 25.09 H new ATOM 0 HB2 PRO A 152 22.367 0.995 15.821 1.00 24.12 H new ATOM 0 HB3 PRO A 152 23.476 2.019 15.427 1.00 24.12 H new ATOM 0 HG2 PRO A 152 22.360 1.709 18.030 1.00 27.07 H new ATOM 0 HG3 PRO A 152 23.880 1.659 17.682 1.00 27.07 H new ATOM 0 HD2 PRO A 152 23.021 3.886 18.463 1.00 27.04 H new ATOM 0 HD3 PRO A 152 23.953 3.926 17.214 1.00 27.04 H new ATOM 1202 N GLU A 153 19.440 2.201 14.983 1.00 29.53 N ATOM 1203 CA GLU A 153 18.074 1.700 15.136 1.00 30.58 C ATOM 1204 C GLU A 153 18.029 0.285 15.700 1.00 29.74 C ATOM 1205 O GLU A 153 17.136 -0.049 16.482 1.00 30.57 O ATOM 1206 CB GLU A 153 17.322 1.743 13.803 1.00 33.72 C ATOM 1207 CG GLU A 153 16.841 3.128 13.388 1.00 38.28 C ATOM 1208 CD GLU A 153 15.585 3.576 14.130 1.00 39.31 C ATOM 1209 OE1 GLU A 153 15.510 4.769 14.493 1.00 33.48 O ATOM 1210 OE2 GLU A 153 14.669 2.751 14.340 1.00 38.85 O ATOM 0 H GLU A 153 19.680 2.333 14.168 1.00 29.53 H new ATOM 0 HA GLU A 153 17.639 2.288 15.773 1.00 30.58 H new ATOM 0 HB2 GLU A 153 17.901 1.393 13.108 1.00 33.72 H new ATOM 0 HB3 GLU A 153 16.556 1.151 13.859 1.00 33.72 H new ATOM 0 HG2 GLU A 153 17.550 3.771 13.547 1.00 38.28 H new ATOM 0 HG3 GLU A 153 16.664 3.130 12.434 1.00 38.28 H new ATOM 1211 N GLN A 154 18.975 -0.551 15.278 1.00 28.95 N ATOM 1212 CA GLN A 154 19.034 -1.929 15.753 1.00 28.56 C ATOM 1213 C GLN A 154 19.898 -2.061 17.008 1.00 25.69 C ATOM 1214 O GLN A 154 20.966 -1.449 17.111 1.00 25.99 O ATOM 1215 CB GLN A 154 19.543 -2.862 14.649 1.00 32.46 C ATOM 1216 CG GLN A 154 19.487 -4.337 15.016 1.00 39.15 C ATOM 1217 CD GLN A 154 18.066 -4.858 15.109 1.00 44.63 C ATOM 1218 OE1 GLN A 154 17.284 -4.727 14.168 1.00 50.18 O ATOM 1219 NE2 GLN A 154 17.727 -5.457 16.244 1.00 44.55 N ATOM 0 H GLN A 154 19.591 -0.339 14.717 1.00 28.95 H new ATOM 0 HA GLN A 154 18.131 -2.192 15.991 1.00 28.56 H new ATOM 0 HB2 GLN A 154 19.017 -2.717 13.847 1.00 32.46 H new ATOM 0 HB3 GLN A 154 20.459 -2.625 14.434 1.00 32.46 H new ATOM 0 HG2 GLN A 154 19.974 -4.851 14.353 1.00 39.15 H new ATOM 0 HG3 GLN A 154 19.935 -4.473 15.866 1.00 39.15 H new ATOM 0 HE21 GLN A 154 18.301 -5.530 16.880 1.00 44.55 H new ATOM 0 HE22 GLN A 154 16.933 -5.772 16.343 1.00 44.55 H new ATOM 1220 N LEU A 155 19.405 -2.842 17.968 1.00 22.45 N ATOM 1221 CA LEU A 155 20.098 -3.081 19.231 1.00 21.00 C ATOM 1222 C LEU A 155 21.462 -3.723 18.983 1.00 20.98 C ATOM 1223 O LEU A 155 21.582 -4.678 18.212 1.00 21.11 O ATOM 1224 CB LEU A 155 19.253 -3.986 20.144 1.00 19.48 C ATOM 1225 CG LEU A 155 19.747 -4.211 21.582 1.00 14.63 C ATOM 1226 CD1 LEU A 155 19.808 -2.879 22.311 1.00 14.16 C ATOM 1227 CD2 LEU A 155 18.837 -5.180 22.332 1.00 15.85 C ATOM 0 H LEU A 155 18.652 -3.251 17.903 1.00 22.45 H new ATOM 0 HA LEU A 155 20.231 -2.226 19.670 1.00 21.00 H new ATOM 0 HB2 LEU A 155 18.359 -3.612 20.191 1.00 19.48 H new ATOM 0 HB3 LEU A 155 19.176 -4.853 19.716 1.00 19.48 H new ATOM 0 HG LEU A 155 20.634 -4.603 21.546 1.00 14.63 H new ATOM 0 HD11 LEU A 155 20.120 -3.021 23.219 1.00 14.16 H new ATOM 0 HD12 LEU A 155 20.419 -2.285 21.849 1.00 14.16 H new ATOM 0 HD13 LEU A 155 18.924 -2.480 22.332 1.00 14.16 H new ATOM 0 HD21 LEU A 155 19.170 -5.304 23.234 1.00 15.85 H new ATOM 0 HD22 LEU A 155 17.938 -4.818 22.367 1.00 15.85 H new ATOM 0 HD23 LEU A 155 18.824 -6.034 21.872 1.00 15.85 H new ATOM 1228 N LYS A 156 22.483 -3.187 19.645 1.00 20.00 N ATOM 1229 CA LYS A 156 23.846 -3.692 19.514 1.00 17.91 C ATOM 1230 C LYS A 156 24.353 -4.313 20.817 1.00 17.97 C ATOM 1231 O LYS A 156 23.785 -4.090 21.888 1.00 14.53 O ATOM 1232 CB LYS A 156 24.791 -2.566 19.079 1.00 18.50 C ATOM 1233 CG LYS A 156 24.549 -2.045 17.670 1.00 17.24 C ATOM 1234 CD LYS A 156 25.665 -1.110 17.224 1.00 14.07 C ATOM 1235 CE LYS A 156 26.887 -1.883 16.747 1.00 17.87 C ATOM 1236 NZ LYS A 156 28.018 -0.986 16.373 1.00 16.94 N ATOM 0 H LYS A 156 22.405 -2.520 20.183 1.00 20.00 H new ATOM 0 HA LYS A 156 23.832 -4.386 18.837 1.00 17.91 H new ATOM 0 HB2 LYS A 156 24.705 -1.828 19.703 1.00 18.50 H new ATOM 0 HB3 LYS A 156 25.705 -2.885 19.141 1.00 18.50 H new ATOM 0 HG2 LYS A 156 24.485 -2.791 17.054 1.00 17.24 H new ATOM 0 HG3 LYS A 156 23.700 -1.577 17.638 1.00 17.24 H new ATOM 0 HD2 LYS A 156 25.343 -0.539 16.509 1.00 14.07 H new ATOM 0 HD3 LYS A 156 25.915 -0.530 17.960 1.00 14.07 H new ATOM 0 HE2 LYS A 156 27.176 -2.489 17.447 1.00 17.87 H new ATOM 0 HE3 LYS A 156 26.643 -2.428 15.982 1.00 17.87 H new ATOM 0 HZ1 LYS A 156 28.732 -1.477 16.170 1.00 16.94 H new ATOM 0 HZ2 LYS A 156 27.787 -0.494 15.668 1.00 16.94 H new ATOM 0 HZ3 LYS A 156 28.211 -0.450 17.057 1.00 16.94 H new ATOM 1237 N MET A 157 25.427 -5.092 20.711 1.00 17.98 N ATOM 1238 CA MET A 157 26.043 -5.749 21.864 1.00 20.80 C ATOM 1239 C MET A 157 27.513 -6.051 21.575 1.00 21.73 C ATOM 1240 O MET A 157 27.936 -6.066 20.417 1.00 25.46 O ATOM 1241 CB MET A 157 25.311 -7.057 22.206 1.00 20.47 C ATOM 1242 CG MET A 157 25.428 -8.153 21.146 1.00 29.70 C ATOM 1243 SD MET A 157 26.396 -9.593 21.679 1.00 37.61 S ATOM 1244 CE MET A 157 27.877 -9.365 20.698 1.00 38.38 C ATOM 0 H MET A 157 25.822 -5.256 19.965 1.00 17.98 H new ATOM 0 HA MET A 157 25.978 -5.147 22.622 1.00 20.80 H new ATOM 0 HB2 MET A 157 25.659 -7.398 23.045 1.00 20.47 H new ATOM 0 HB3 MET A 157 24.372 -6.860 22.347 1.00 20.47 H new ATOM 0 HG2 MET A 157 24.538 -8.447 20.898 1.00 29.70 H new ATOM 0 HG3 MET A 157 25.835 -7.778 20.349 1.00 29.70 H new ATOM 0 HE1 MET A 157 28.137 -10.212 20.302 1.00 38.38 H new ATOM 0 HE2 MET A 157 27.703 -8.720 19.995 1.00 38.38 H new ATOM 0 HE3 MET A 157 28.594 -9.040 21.265 1.00 38.38 H new ATOM 1245 N THR A 158 28.284 -6.284 22.632 1.00 19.40 N ATOM 1246 CA THR A 158 29.702 -6.616 22.506 1.00 20.66 C ATOM 1247 C THR A 158 30.228 -7.304 23.764 1.00 22.51 C ATOM 1248 O THR A 158 29.536 -7.398 24.778 1.00 20.75 O ATOM 1249 CB THR A 158 30.574 -5.376 22.180 1.00 19.72 C ATOM 1250 OG1 THR A 158 31.897 -5.803 21.841 1.00 19.26 O ATOM 1251 CG2 THR A 158 30.654 -4.430 23.372 1.00 21.98 C ATOM 0 H THR A 158 28.001 -6.254 23.444 1.00 19.40 H new ATOM 0 HA THR A 158 29.770 -7.231 21.759 1.00 20.66 H new ATOM 0 HB THR A 158 30.166 -4.906 21.436 1.00 19.72 H new ATOM 0 HG1 THR A 158 32.297 -5.184 21.438 1.00 19.26 H new ATOM 0 HG21 THR A 158 31.204 -3.665 23.142 1.00 21.98 H new ATOM 0 HG22 THR A 158 29.762 -4.128 23.606 1.00 21.98 H new ATOM 0 HG23 THR A 158 31.047 -4.894 24.128 1.00 21.98 H new ATOM 1252 N VAL A 159 31.435 -7.843 23.658 1.00 22.08 N ATOM 1253 CA VAL A 159 32.078 -8.516 24.766 1.00 21.80 C ATOM 1254 C VAL A 159 33.306 -7.708 25.166 1.00 24.04 C ATOM 1255 O VAL A 159 34.044 -7.205 24.310 1.00 25.92 O ATOM 1256 CB VAL A 159 32.514 -9.954 24.391 1.00 18.32 C ATOM 1257 CG1 VAL A 159 33.306 -10.569 25.516 1.00 18.29 C ATOM 1258 CG2 VAL A 159 31.306 -10.814 24.109 1.00 18.09 C ATOM 0 H VAL A 159 31.903 -7.827 22.937 1.00 22.08 H new ATOM 0 HA VAL A 159 31.446 -8.582 25.499 1.00 21.80 H new ATOM 0 HB VAL A 159 33.066 -9.905 23.595 1.00 18.32 H new ATOM 0 HG11 VAL A 159 33.573 -11.468 25.270 1.00 18.29 H new ATOM 0 HG12 VAL A 159 34.096 -10.033 25.687 1.00 18.29 H new ATOM 0 HG13 VAL A 159 32.759 -10.602 26.316 1.00 18.29 H new ATOM 0 HG21 VAL A 159 31.594 -11.710 23.876 1.00 18.09 H new ATOM 0 HG22 VAL A 159 30.743 -10.851 24.898 1.00 18.09 H new ATOM 0 HG23 VAL A 159 30.803 -10.434 23.371 1.00 18.09 H new ATOM 1259 N VAL A 160 33.474 -7.538 26.473 1.00 23.32 N ATOM 1260 CA VAL A 160 34.606 -6.819 27.033 1.00 22.03 C ATOM 1261 C VAL A 160 35.183 -7.653 28.172 1.00 21.02 C ATOM 1262 O VAL A 160 34.547 -8.592 28.633 1.00 17.45 O ATOM 1263 CB VAL A 160 34.210 -5.403 27.550 1.00 22.67 C ATOM 1264 CG1 VAL A 160 34.039 -4.445 26.378 1.00 18.75 C ATOM 1265 CG2 VAL A 160 32.941 -5.465 28.386 1.00 15.97 C ATOM 0 H VAL A 160 32.927 -7.841 27.064 1.00 23.32 H new ATOM 0 HA VAL A 160 35.266 -6.685 26.335 1.00 22.03 H new ATOM 0 HB VAL A 160 34.924 -5.073 28.118 1.00 22.67 H new ATOM 0 HG11 VAL A 160 33.793 -3.568 26.710 1.00 18.75 H new ATOM 0 HG12 VAL A 160 34.873 -4.382 25.887 1.00 18.75 H new ATOM 0 HG13 VAL A 160 33.342 -4.775 25.789 1.00 18.75 H new ATOM 0 HG21 VAL A 160 32.714 -4.575 28.696 1.00 15.97 H new ATOM 0 HG22 VAL A 160 32.214 -5.814 27.846 1.00 15.97 H new ATOM 0 HG23 VAL A 160 33.084 -6.046 29.149 1.00 15.97 H new ATOM 1266 N LYS A 161 36.420 -7.352 28.555 1.00 23.07 N ATOM 1267 CA LYS A 161 37.097 -8.056 29.636 1.00 24.67 C ATOM 1268 C LYS A 161 37.186 -7.199 30.890 1.00 25.04 C ATOM 1269 O LYS A 161 37.545 -6.020 30.826 1.00 23.46 O ATOM 1270 CB LYS A 161 38.505 -8.473 29.216 1.00 26.08 C ATOM 1271 CG LYS A 161 38.539 -9.655 28.284 1.00 30.79 C ATOM 1272 CD LYS A 161 39.910 -10.310 28.305 1.00 37.91 C ATOM 1273 CE LYS A 161 39.917 -11.583 27.471 1.00 43.53 C ATOM 1274 NZ LYS A 161 41.249 -12.255 27.504 1.00 47.30 N ATOM 0 H LYS A 161 36.891 -6.731 28.193 1.00 23.07 H new ATOM 0 HA LYS A 161 36.570 -8.846 29.833 1.00 24.67 H new ATOM 0 HB2 LYS A 161 38.941 -7.721 28.786 1.00 26.08 H new ATOM 0 HB3 LYS A 161 39.021 -8.684 30.010 1.00 26.08 H new ATOM 0 HG2 LYS A 161 37.863 -10.299 28.545 1.00 30.79 H new ATOM 0 HG3 LYS A 161 38.325 -9.369 27.382 1.00 30.79 H new ATOM 0 HD2 LYS A 161 40.574 -9.691 27.962 1.00 37.91 H new ATOM 0 HD3 LYS A 161 40.160 -10.517 29.219 1.00 37.91 H new ATOM 0 HE2 LYS A 161 39.239 -12.192 27.803 1.00 43.53 H new ATOM 0 HE3 LYS A 161 39.684 -11.371 26.554 1.00 43.53 H new ATOM 0 HZ1 LYS A 161 41.221 -12.994 27.009 1.00 47.30 H new ATOM 0 HZ2 LYS A 161 41.868 -11.704 27.180 1.00 47.30 H new ATOM 0 HZ3 LYS A 161 41.453 -12.469 28.343 1.00 47.30 H new ATOM 1275 N LEU A 162 36.852 -7.807 32.026 1.00 25.22 N ATOM 1276 CA LEU A 162 36.889 -7.138 33.322 1.00 23.07 C ATOM 1277 C LEU A 162 38.328 -6.792 33.706 1.00 24.51 C ATOM 1278 O LEU A 162 39.241 -7.611 33.579 1.00 26.01 O ATOM 1279 CB LEU A 162 36.245 -8.026 34.385 1.00 19.43 C ATOM 1280 CG LEU A 162 34.966 -7.504 35.050 1.00 23.98 C ATOM 1281 CD1 LEU A 162 33.920 -7.115 34.030 1.00 21.57 C ATOM 1282 CD2 LEU A 162 34.412 -8.564 35.988 1.00 27.89 C ATOM 0 H LEU A 162 36.595 -8.627 32.065 1.00 25.22 H new ATOM 0 HA LEU A 162 36.386 -6.311 33.262 1.00 23.07 H new ATOM 0 HB2 LEU A 162 36.045 -8.884 33.979 1.00 19.43 H new ATOM 0 HB3 LEU A 162 36.902 -8.187 35.081 1.00 19.43 H new ATOM 0 HG LEU A 162 35.193 -6.706 35.552 1.00 23.98 H new ATOM 0 HD11 LEU A 162 33.128 -6.791 34.486 1.00 21.57 H new ATOM 0 HD12 LEU A 162 34.271 -6.416 33.456 1.00 21.57 H new ATOM 0 HD13 LEU A 162 33.689 -7.888 33.492 1.00 21.57 H new ATOM 0 HD21 LEU A 162 33.603 -8.233 36.409 1.00 27.89 H new ATOM 0 HD22 LEU A 162 34.209 -9.368 35.484 1.00 27.89 H new ATOM 0 HD23 LEU A 162 35.070 -8.768 36.671 1.00 27.89 H new ATOM 1283 N ILE A 163 38.523 -5.556 34.145 1.00 25.14 N ATOM 1284 CA ILE A 163 39.836 -5.066 34.527 1.00 25.39 C ATOM 1285 C ILE A 163 39.902 -4.782 36.023 1.00 25.91 C ATOM 1286 O ILE A 163 38.999 -4.163 36.590 1.00 29.24 O ATOM 1287 CB ILE A 163 40.182 -3.805 33.706 1.00 25.32 C ATOM 1288 CG1 ILE A 163 40.415 -4.198 32.240 1.00 25.49 C ATOM 1289 CG2 ILE A 163 41.383 -3.083 34.285 1.00 24.37 C ATOM 1290 CD1 ILE A 163 40.633 -3.020 31.316 1.00 24.33 C ATOM 0 H ILE A 163 37.894 -4.976 34.230 1.00 25.14 H new ATOM 0 HA ILE A 163 40.493 -5.753 34.334 1.00 25.39 H new ATOM 0 HB ILE A 163 39.436 -3.187 33.749 1.00 25.32 H new ATOM 0 HG12 ILE A 163 41.187 -4.784 32.190 1.00 25.49 H new ATOM 0 HG13 ILE A 163 39.652 -4.707 31.926 1.00 25.49 H new ATOM 0 HG21 ILE A 163 41.577 -2.297 33.751 1.00 24.37 H new ATOM 0 HG22 ILE A 163 41.190 -2.814 35.197 1.00 24.37 H new ATOM 0 HG23 ILE A 163 42.151 -3.675 34.279 1.00 24.37 H new ATOM 0 HD11 ILE A 163 40.773 -3.340 30.411 1.00 24.33 H new ATOM 0 HD12 ILE A 163 39.854 -2.443 31.338 1.00 24.33 H new ATOM 0 HD13 ILE A 163 41.412 -2.521 31.606 1.00 24.33 H new ATOM 1291 N SER A 164 40.978 -5.246 36.655 1.00 27.02 N ATOM 1292 CA SER A 164 41.182 -5.071 38.091 1.00 24.67 C ATOM 1293 C SER A 164 41.224 -3.615 38.515 1.00 25.82 C ATOM 1294 O SER A 164 41.538 -2.721 37.719 1.00 21.51 O ATOM 1295 CB SER A 164 42.477 -5.752 38.541 1.00 24.39 C ATOM 1296 OG SER A 164 43.619 -5.029 38.109 1.00 26.18 O ATOM 0 H SER A 164 41.612 -5.673 36.261 1.00 27.02 H new ATOM 0 HA SER A 164 40.415 -5.484 38.519 1.00 24.67 H new ATOM 0 HB2 SER A 164 42.486 -5.827 39.508 1.00 24.39 H new ATOM 0 HB3 SER A 164 42.510 -6.654 38.187 1.00 24.39 H new ATOM 0 HG SER A 164 44.314 -5.422 38.369 1.00 26.18 H new ATOM 1297 N HIS A 999 40.922 -3.396 39.792 1.00 28.15 N ATOM 1298 CA HIS A 999 40.934 -2.064 40.367 1.00 30.36 C ATOM 1299 C HIS A 999 42.374 -1.529 40.322 1.00 31.60 C ATOM 1300 O HIS A 999 42.586 -0.335 40.151 1.00 31.44 O ATOM 1301 CB HIS A 999 40.377 -2.108 41.793 1.00 33.65 C ATOM 1302 CG HIS A 999 40.259 -0.764 42.445 1.00 41.44 C ATOM 1303 ND1 HIS A 999 40.793 -0.489 43.687 1.00 42.44 N ATOM 1304 CD2 HIS A 999 39.683 0.387 42.022 1.00 43.00 C ATOM 1305 CE1 HIS A 999 40.553 0.772 43.999 1.00 44.13 C ATOM 1306 NE2 HIS A 999 39.882 1.327 43.006 1.00 43.48 N ATOM 0 H HIS A 999 40.705 -4.018 40.345 1.00 28.15 H new ATOM 0 HA HIS A 999 40.367 -1.463 39.859 1.00 30.36 H new ATOM 0 HB2 HIS A 999 39.502 -2.526 41.775 1.00 33.65 H new ATOM 0 HB3 HIS A 999 40.950 -2.671 42.337 1.00 33.65 H new ATOM 0 HD2 HIS A 999 39.236 0.517 41.217 1.00 43.00 H new ATOM 0 HE1 HIS A 999 40.812 1.197 44.785 1.00 44.13 H new ATOM 0 HE2 HIS A 999 39.613 2.143 42.979 1.00 43.48 H new ATOM 1307 N ARG A 166 43.357 -2.426 40.402 1.00 32.93 N ATOM 1308 CA ARG A 166 44.768 -2.035 40.346 1.00 33.45 C ATOM 1309 C ARG A 166 45.154 -1.463 38.967 1.00 33.50 C ATOM 1310 O ARG A 166 45.830 -0.434 38.875 1.00 31.90 O ATOM 1311 CB ARG A 166 45.674 -3.228 40.686 1.00 33.18 C ATOM 1312 CG ARG A 166 47.160 -2.953 40.466 0.00 34.47 C ATOM 1313 CD ARG A 166 48.000 -4.221 40.511 0.00 35.25 C ATOM 1314 NE ARG A 166 48.138 -4.759 41.862 0.00 36.24 N ATOM 1315 CZ ARG A 166 49.239 -5.346 42.324 0.00 36.75 C ATOM 1316 NH1 ARG A 166 50.307 -5.475 41.546 0.00 37.12 N ATOM 1317 NH2 ARG A 166 49.276 -5.802 43.568 0.00 37.11 N ATOM 0 H ARG A 166 43.227 -3.272 40.490 1.00 32.93 H new ATOM 0 HA ARG A 166 44.896 -1.336 41.006 1.00 33.45 H new ATOM 0 HB2 ARG A 166 45.533 -3.477 41.613 1.00 33.18 H new ATOM 0 HB3 ARG A 166 45.410 -3.989 40.145 1.00 33.18 H new ATOM 0 HG2 ARG A 166 47.282 -2.518 39.608 0.00 34.47 H new ATOM 0 HG3 ARG A 166 47.475 -2.335 41.144 0.00 34.47 H new ATOM 0 HD2 ARG A 166 47.596 -4.892 39.939 0.00 35.25 H new ATOM 0 HD3 ARG A 166 48.881 -4.034 40.150 0.00 35.25 H new ATOM 0 HE ARG A 166 47.465 -4.692 42.393 0.00 36.24 H new ATOM 0 HH11 ARG A 166 50.289 -5.178 40.739 0.00 37.12 H new ATOM 0 HH12 ARG A 166 51.016 -5.855 41.849 0.00 37.12 H new ATOM 0 HH21 ARG A 166 48.588 -5.719 44.077 0.00 37.11 H new ATOM 0 HH22 ARG A 166 49.988 -6.181 43.866 0.00 37.11 H new ATOM 1318 N GLU A 167 44.736 -2.136 37.899 1.00 33.24 N ATOM 1319 CA GLU A 167 45.051 -1.674 36.549 1.00 32.44 C ATOM 1320 C GLU A 167 44.314 -0.380 36.187 1.00 32.16 C ATOM 1321 O GLU A 167 44.882 0.525 35.573 1.00 32.57 O ATOM 1322 CB GLU A 167 44.724 -2.763 35.528 1.00 31.04 C ATOM 1323 CG GLU A 167 44.991 -2.355 34.078 1.00 34.64 C ATOM 1324 CD GLU A 167 44.823 -3.497 33.089 1.00 33.98 C ATOM 1325 OE1 GLU A 167 44.964 -4.669 33.498 1.00 35.24 O ATOM 1326 OE2 GLU A 167 44.561 -3.222 31.898 1.00 35.47 O ATOM 0 H GLU A 167 44.271 -2.859 37.933 1.00 33.24 H new ATOM 0 HA GLU A 167 46.001 -1.481 36.529 1.00 32.44 H new ATOM 0 HB2 GLU A 167 45.247 -3.554 35.733 1.00 31.04 H new ATOM 0 HB3 GLU A 167 43.790 -3.009 35.619 1.00 31.04 H new ATOM 0 HG2 GLU A 167 44.388 -1.635 33.835 1.00 34.64 H new ATOM 0 HG3 GLU A 167 45.893 -2.006 34.008 1.00 34.64 H new ATOM 1327 N CYS A 168 43.049 -0.299 36.581 1.00 29.49 N ATOM 1328 CA CYS A 168 42.234 0.865 36.285 1.00 26.98 C ATOM 1329 C CYS A 168 42.612 2.085 37.119 1.00 27.89 C ATOM 1330 O CYS A 168 42.408 3.219 36.700 1.00 29.32 O ATOM 1331 CB CYS A 168 40.768 0.519 36.489 1.00 23.67 C ATOM 1332 SG CYS A 168 39.643 1.485 35.440 1.00 19.07 S ATOM 0 H CYS A 168 42.643 -0.914 37.024 1.00 29.49 H new ATOM 0 HA CYS A 168 42.396 1.105 35.359 1.00 26.98 H new ATOM 0 HB2 CYS A 168 40.638 -0.425 36.307 1.00 23.67 H new ATOM 0 HB3 CYS A 168 40.535 0.664 37.420 1.00 23.67 H new ATOM 1333 N GLN A 169 43.175 1.837 38.295 1.00 29.95 N ATOM 1334 CA GLN A 169 43.602 2.889 39.214 1.00 34.12 C ATOM 1335 C GLN A 169 44.955 3.502 38.799 1.00 34.71 C ATOM 1336 O GLN A 169 45.441 4.434 39.437 1.00 35.52 O ATOM 1337 CB GLN A 169 43.692 2.291 40.620 1.00 37.23 C ATOM 1338 CG GLN A 169 43.966 3.250 41.757 1.00 44.64 C ATOM 1339 CD GLN A 169 44.214 2.510 43.065 1.00 49.22 C ATOM 1340 OE1 GLN A 169 44.938 1.506 43.097 1.00 49.81 O ATOM 1341 NE2 GLN A 169 43.606 2.994 44.147 1.00 48.29 N ATOM 0 H GLN A 169 43.323 1.042 38.588 1.00 29.95 H new ATOM 0 HA GLN A 169 42.952 3.609 39.193 1.00 34.12 H new ATOM 0 HB2 GLN A 169 42.858 1.832 40.807 1.00 37.23 H new ATOM 0 HB3 GLN A 169 44.391 1.619 40.618 1.00 37.23 H new ATOM 0 HG2 GLN A 169 44.738 3.796 41.542 1.00 44.64 H new ATOM 0 HG3 GLN A 169 43.213 3.852 41.862 1.00 44.64 H new ATOM 0 HE21 GLN A 169 43.111 3.694 44.085 1.00 48.29 H new ATOM 0 HE22 GLN A 169 43.709 2.606 44.908 1.00 48.29 H new ATOM 1342 N GLN A 170 45.549 2.979 37.725 1.00 34.54 N ATOM 1343 CA GLN A 170 46.833 3.459 37.219 1.00 32.81 C ATOM 1344 C GLN A 170 46.734 4.914 36.780 1.00 35.04 C ATOM 1345 O GLN A 170 45.651 5.403 36.481 1.00 34.62 O ATOM 1346 CB GLN A 170 47.300 2.600 36.037 1.00 32.23 C ATOM 1347 CG GLN A 170 47.707 1.172 36.386 1.00 32.17 C ATOM 1348 CD GLN A 170 48.866 1.109 37.373 1.00 33.69 C ATOM 1349 OE1 GLN A 170 49.941 1.660 37.125 1.00 31.11 O ATOM 1350 NE2 GLN A 170 48.649 0.430 38.502 1.00 30.83 N ATOM 0 H GLN A 170 45.215 2.332 37.268 1.00 34.54 H new ATOM 0 HA GLN A 170 47.479 3.391 37.939 1.00 32.81 H new ATOM 0 HB2 GLN A 170 46.587 2.565 35.380 1.00 32.23 H new ATOM 0 HB3 GLN A 170 48.054 3.041 35.614 1.00 32.23 H new ATOM 0 HG2 GLN A 170 46.944 0.706 36.761 1.00 32.17 H new ATOM 0 HG3 GLN A 170 47.955 0.704 35.573 1.00 32.17 H new ATOM 0 HE21 GLN A 170 47.886 0.059 38.640 1.00 30.83 H new ATOM 0 HE22 GLN A 170 49.272 0.364 39.091 1.00 30.83 H new ATOM 1351 N PRO A 170A 47.873 5.627 36.740 1.00 38.13 N ATOM 1352 CA PRO A 170A 47.936 7.038 36.336 1.00 39.83 C ATOM 1353 C PRO A 170A 47.373 7.317 34.938 1.00 40.33 C ATOM 1354 O PRO A 170A 46.535 8.199 34.769 1.00 42.04 O ATOM 1355 CB PRO A 170A 49.433 7.339 36.399 1.00 39.79 C ATOM 1356 CG PRO A 170A 49.909 6.444 37.495 1.00 39.21 C ATOM 1357 CD PRO A 170A 49.197 5.155 37.184 1.00 38.59 C ATOM 0 HA PRO A 170A 47.388 7.597 36.909 1.00 39.83 H new ATOM 0 HB2 PRO A 170A 49.875 7.143 35.558 1.00 39.79 H new ATOM 0 HB3 PRO A 170A 49.604 8.273 36.598 1.00 39.79 H new ATOM 0 HG2 PRO A 170A 50.873 6.338 37.483 1.00 39.21 H new ATOM 0 HG3 PRO A 170A 49.672 6.786 38.371 1.00 39.21 H new ATOM 0 HD2 PRO A 170A 49.651 4.648 36.493 1.00 38.59 H new ATOM 0 HD3 PRO A 170A 49.134 4.580 37.962 1.00 38.59 H new ATOM 1358 N HIS A 170B 47.833 6.562 33.944 1.00 42.36 N ATOM 1359 CA HIS A 170B 47.375 6.735 32.565 1.00 42.22 C ATOM 1360 C HIS A 170B 45.965 6.193 32.334 1.00 41.10 C ATOM 1361 O HIS A 170B 45.363 6.418 31.274 1.00 40.46 O ATOM 1362 CB HIS A 170B 48.364 6.095 31.588 1.00 46.72 C ATOM 1363 CG HIS A 170B 49.718 6.736 31.596 1.00 52.58 C ATOM 1364 ND1 HIS A 170B 50.239 7.393 30.501 1.00 53.96 N ATOM 1365 CD2 HIS A 170B 50.655 6.830 32.571 1.00 53.92 C ATOM 1366 CE1 HIS A 170B 51.436 7.864 30.801 1.00 56.33 C ATOM 1367 NE2 HIS A 170B 51.712 7.536 32.051 1.00 55.90 N ATOM 0 H HIS A 170B 48.416 5.938 34.047 1.00 42.36 H new ATOM 0 HA HIS A 170B 47.336 7.690 32.401 1.00 42.22 H new ATOM 0 HB2 HIS A 170B 48.459 5.155 31.806 1.00 46.72 H new ATOM 0 HB3 HIS A 170B 47.997 6.143 30.691 1.00 46.72 H new ATOM 0 HD2 HIS A 170B 50.594 6.482 33.431 1.00 53.92 H new ATOM 0 HE1 HIS A 170B 51.990 8.345 30.230 1.00 56.33 H new ATOM 0 HE2 HIS A 170B 52.436 7.733 32.471 1.00 55.90 H new ATOM 1368 N TYR A 171 45.448 5.460 33.316 1.00 37.38 N ATOM 1369 CA TYR A 171 44.101 4.916 33.225 1.00 35.65 C ATOM 1370 C TYR A 171 43.102 5.921 33.817 1.00 33.66 C ATOM 1371 O TYR A 171 42.720 6.878 33.141 1.00 33.70 O ATOM 1372 CB TYR A 171 44.020 3.544 33.903 1.00 34.97 C ATOM 1373 CG TYR A 171 44.431 2.394 33.000 1.00 32.58 C ATOM 1374 CD1 TYR A 171 45.698 2.344 32.418 1.00 31.38 C ATOM 1375 CD2 TYR A 171 43.534 1.375 32.696 1.00 32.04 C ATOM 1376 CE1 TYR A 171 46.054 1.307 31.548 1.00 30.84 C ATOM 1377 CE2 TYR A 171 43.880 0.341 31.832 1.00 31.67 C ATOM 1378 CZ TYR A 171 45.135 0.311 31.260 1.00 29.78 C ATOM 1379 OH TYR A 171 45.448 -0.707 30.390 1.00 27.31 O ATOM 0 H TYR A 171 45.863 5.267 34.044 1.00 37.38 H new ATOM 0 HA TYR A 171 43.869 4.777 32.294 1.00 35.65 H new ATOM 0 HB2 TYR A 171 44.588 3.546 34.690 1.00 34.97 H new ATOM 0 HB3 TYR A 171 43.112 3.396 34.209 1.00 34.97 H new ATOM 0 HD1 TYR A 171 46.317 3.011 32.611 1.00 31.38 H new ATOM 0 HD2 TYR A 171 42.686 1.385 33.078 1.00 32.04 H new ATOM 0 HE1 TYR A 171 46.902 1.287 31.166 1.00 30.84 H new ATOM 0 HE2 TYR A 171 43.265 -0.330 31.640 1.00 31.67 H new ATOM 0 HH TYR A 171 45.234 -1.444 30.732 1.00 27.31 H new ATOM 1380 N TYR A 172 42.700 5.738 35.073 1.00 30.14 N ATOM 1381 CA TYR A 172 41.760 6.673 35.693 1.00 28.22 C ATOM 1382 C TYR A 172 42.233 7.199 37.041 1.00 27.55 C ATOM 1383 O TYR A 172 41.522 7.957 37.703 1.00 27.32 O ATOM 1384 CB TYR A 172 40.378 6.030 35.839 1.00 29.16 C ATOM 1385 CG TYR A 172 39.624 5.930 34.542 1.00 26.51 C ATOM 1386 CD1 TYR A 172 39.473 7.043 33.727 1.00 29.07 C ATOM 1387 CD2 TYR A 172 39.074 4.727 34.121 1.00 25.37 C ATOM 1388 CE1 TYR A 172 38.792 6.965 32.523 1.00 29.51 C ATOM 1389 CE2 TYR A 172 38.389 4.638 32.913 1.00 26.58 C ATOM 1390 CZ TYR A 172 38.251 5.764 32.120 1.00 27.12 C ATOM 1391 OH TYR A 172 37.553 5.717 30.937 1.00 28.24 O ATOM 0 H TYR A 172 42.954 5.090 35.578 1.00 30.14 H new ATOM 0 HA TYR A 172 41.706 7.436 35.097 1.00 28.22 H new ATOM 0 HB2 TYR A 172 40.480 5.142 36.215 1.00 29.16 H new ATOM 0 HB3 TYR A 172 39.854 6.547 36.471 1.00 29.16 H new ATOM 0 HD1 TYR A 172 39.836 7.857 33.994 1.00 29.07 H new ATOM 0 HD2 TYR A 172 39.165 3.970 34.654 1.00 25.37 H new ATOM 0 HE1 TYR A 172 38.700 7.721 31.989 1.00 29.51 H new ATOM 0 HE2 TYR A 172 38.026 3.826 32.640 1.00 26.58 H new ATOM 0 HH TYR A 172 37.363 4.919 30.755 1.00 28.24 H new ATOM 1392 N GLY A 173 43.434 6.797 37.444 1.00 26.41 N ATOM 1393 CA GLY A 173 43.972 7.233 38.718 1.00 25.89 C ATOM 1394 C GLY A 173 43.029 6.870 39.845 1.00 26.74 C ATOM 1395 O GLY A 173 42.305 5.874 39.762 1.00 25.22 O ATOM 0 H GLY A 173 43.948 6.274 36.994 1.00 26.41 H new ATOM 0 HA2 GLY A 173 44.837 6.821 38.868 1.00 25.89 H new ATOM 0 HA3 GLY A 173 44.113 8.193 38.704 1.00 25.89 H new ATOM 1396 N SER A 174 43.018 7.695 40.887 1.00 28.04 N ATOM 1397 CA SER A 174 42.151 7.477 42.035 1.00 30.00 C ATOM 1398 C SER A 174 40.681 7.779 41.761 1.00 30.10 C ATOM 1399 O SER A 174 39.845 7.564 42.638 1.00 30.76 O ATOM 1400 CB SER A 174 42.626 8.302 43.236 1.00 34.50 C ATOM 1401 OG SER A 174 43.602 7.609 44.001 1.00 37.89 O ATOM 0 H SER A 174 43.513 8.396 40.947 1.00 28.04 H new ATOM 0 HA SER A 174 42.213 6.529 42.233 1.00 30.00 H new ATOM 0 HB2 SER A 174 42.997 9.143 42.924 1.00 34.50 H new ATOM 0 HB3 SER A 174 41.867 8.518 43.800 1.00 34.50 H new ATOM 0 HG SER A 174 43.842 8.087 44.649 1.00 37.89 H new ATOM 1402 N GLU A 175 40.362 8.268 40.559 1.00 29.77 N ATOM 1403 CA GLU A 175 38.975 8.596 40.209 1.00 29.01 C ATOM 1404 C GLU A 175 38.047 7.395 40.282 1.00 27.18 C ATOM 1405 O GLU A 175 36.867 7.543 40.606 1.00 27.25 O ATOM 1406 CB GLU A 175 38.880 9.255 38.827 1.00 33.92 C ATOM 1407 CG GLU A 175 38.425 10.722 38.856 1.00 38.06 C ATOM 1408 CD GLU A 175 36.959 10.888 38.514 1.00 36.99 C ATOM 1409 OE1 GLU A 175 36.108 10.465 39.324 1.00 37.44 O ATOM 1410 OE2 GLU A 175 36.659 11.446 37.438 1.00 37.43 O ATOM 0 H GLU A 175 40.933 8.417 39.933 1.00 29.77 H new ATOM 0 HA GLU A 175 38.678 9.232 40.878 1.00 29.01 H new ATOM 0 HB2 GLU A 175 39.748 9.205 38.396 1.00 33.92 H new ATOM 0 HB3 GLU A 175 38.262 8.746 38.280 1.00 33.92 H new ATOM 0 HG2 GLU A 175 38.591 11.090 39.738 1.00 38.06 H new ATOM 0 HG3 GLU A 175 38.959 11.235 38.229 1.00 38.06 H new ATOM 1411 N VAL A 176 38.573 6.212 39.969 1.00 23.74 N ATOM 1412 CA VAL A 176 37.774 4.992 40.034 1.00 23.21 C ATOM 1413 C VAL A 176 37.868 4.414 41.444 1.00 21.43 C ATOM 1414 O VAL A 176 38.958 4.240 41.978 1.00 16.19 O ATOM 1415 CB VAL A 176 38.204 3.939 38.977 1.00 23.28 C ATOM 1416 CG1 VAL A 176 37.759 4.379 37.605 1.00 27.15 C ATOM 1417 CG2 VAL A 176 39.702 3.748 38.974 1.00 25.13 C ATOM 0 H VAL A 176 39.387 6.095 39.718 1.00 23.74 H new ATOM 0 HA VAL A 176 36.854 5.221 39.828 1.00 23.21 H new ATOM 0 HB VAL A 176 37.784 3.096 39.208 1.00 23.28 H new ATOM 0 HG11 VAL A 176 38.030 3.718 36.949 1.00 27.15 H new ATOM 0 HG12 VAL A 176 36.793 4.470 37.592 1.00 27.15 H new ATOM 0 HG13 VAL A 176 38.167 5.233 37.391 1.00 27.15 H new ATOM 0 HG21 VAL A 176 39.943 3.087 38.306 1.00 25.13 H new ATOM 0 HG22 VAL A 176 40.135 4.590 38.765 1.00 25.13 H new ATOM 0 HG23 VAL A 176 39.991 3.444 39.849 1.00 25.13 H new ATOM 1418 N THR A 177 36.712 4.140 42.041 1.00 21.46 N ATOM 1419 CA THR A 177 36.638 3.608 43.398 1.00 23.27 C ATOM 1420 C THR A 177 36.333 2.120 43.432 1.00 25.18 C ATOM 1421 O THR A 177 36.110 1.501 42.385 1.00 28.71 O ATOM 1422 CB THR A 177 35.552 4.333 44.207 1.00 23.20 C ATOM 1423 OG1 THR A 177 34.260 4.042 43.646 1.00 20.02 O ATOM 1424 CG2 THR A 177 35.793 5.835 44.176 1.00 20.10 C ATOM 0 H THR A 177 35.946 4.258 41.669 1.00 21.46 H new ATOM 0 HA THR A 177 37.514 3.754 43.787 1.00 23.27 H new ATOM 0 HB THR A 177 35.584 4.026 45.127 1.00 23.20 H new ATOM 0 HG1 THR A 177 33.702 4.607 43.920 1.00 20.02 H new ATOM 0 HG21 THR A 177 35.103 6.284 44.689 1.00 20.10 H new ATOM 0 HG22 THR A 177 36.661 6.032 44.561 1.00 20.10 H new ATOM 0 HG23 THR A 177 35.768 6.148 43.258 1.00 20.10 H new ATOM 1425 N THR A 178 36.298 1.553 44.639 1.00 23.67 N ATOM 1426 CA THR A 178 36.006 0.134 44.796 1.00 24.44 C ATOM 1427 C THR A 178 34.556 -0.182 44.462 1.00 24.17 C ATOM 1428 O THR A 178 34.220 -1.332 44.194 1.00 28.64 O ATOM 1429 CB THR A 178 36.388 -0.411 46.205 1.00 26.95 C ATOM 1430 OG1 THR A 178 35.896 0.461 47.227 1.00 27.88 O ATOM 1431 CG2 THR A 178 37.896 -0.534 46.335 1.00 28.91 C ATOM 0 H THR A 178 36.440 1.974 45.375 1.00 23.67 H new ATOM 0 HA THR A 178 36.569 -0.328 44.156 1.00 24.44 H new ATOM 0 HB THR A 178 35.985 -1.287 46.309 1.00 26.95 H new ATOM 0 HG1 THR A 178 36.107 0.156 47.981 1.00 27.88 H new ATOM 0 HG21 THR A 178 38.118 -0.874 47.216 1.00 28.91 H new ATOM 0 HG22 THR A 178 38.231 -1.144 45.659 1.00 28.91 H new ATOM 0 HG23 THR A 178 38.304 0.338 46.213 1.00 28.91 H new ATOM 1432 N LYS A 179 33.704 0.840 44.459 1.00 24.45 N ATOM 1433 CA LYS A 179 32.288 0.674 44.111 1.00 24.95 C ATOM 1434 C LYS A 179 32.104 0.743 42.590 1.00 23.73 C ATOM 1435 O LYS A 179 30.997 0.957 42.105 1.00 24.46 O ATOM 1436 CB LYS A 179 31.423 1.766 44.759 1.00 25.41 C ATOM 1437 CG LYS A 179 31.377 1.744 46.273 1.00 28.65 C ATOM 1438 CD LYS A 179 30.477 2.846 46.816 1.00 31.07 C ATOM 1439 CE LYS A 179 30.394 2.768 48.333 1.00 39.74 C ATOM 1440 NZ LYS A 179 29.461 3.779 48.927 0.00 47.59 N ATOM 0 H LYS A 179 33.926 1.647 44.657 1.00 24.45 H new ATOM 0 HA LYS A 179 32.007 -0.193 44.443 1.00 24.95 H new ATOM 0 HB2 LYS A 179 31.754 2.632 44.473 1.00 25.41 H new ATOM 0 HB3 LYS A 179 30.517 1.683 44.422 1.00 25.41 H new ATOM 0 HG2 LYS A 179 31.054 0.881 46.576 1.00 28.65 H new ATOM 0 HG3 LYS A 179 32.273 1.852 46.627 1.00 28.65 H new ATOM 0 HD2 LYS A 179 30.821 3.713 46.550 1.00 31.07 H new ATOM 0 HD3 LYS A 179 29.589 2.764 46.434 1.00 31.07 H new ATOM 0 HE2 LYS A 179 30.104 1.879 48.590 1.00 39.74 H new ATOM 0 HE3 LYS A 179 31.280 2.896 48.706 1.00 39.74 H new ATOM 0 HZ1 LYS A 179 29.451 3.689 49.812 0.00 47.59 H new ATOM 0 HZ2 LYS A 179 29.737 4.598 48.715 0.00 47.59 H new ATOM 0 HZ3 LYS A 179 28.641 3.651 48.607 0.00 47.59 H new ATOM 1441 N MET A 180 33.191 0.577 41.842 1.00 22.44 N ATOM 1442 CA MET A 180 33.138 0.636 40.382 1.00 21.95 C ATOM 1443 C MET A 180 33.967 -0.474 39.736 1.00 22.51 C ATOM 1444 O MET A 180 34.941 -0.958 40.316 1.00 27.50 O ATOM 1445 CB MET A 180 33.672 1.979 39.883 1.00 16.47 C ATOM 1446 CG MET A 180 32.974 3.218 40.416 1.00 14.47 C ATOM 1447 SD MET A 180 33.942 4.700 39.996 1.00 17.58 S ATOM 1448 CE MET A 180 32.920 5.992 40.670 1.00 16.13 C ATOM 0 H MET A 180 33.975 0.428 42.162 1.00 22.44 H new ATOM 0 HA MET A 180 32.208 0.524 40.132 1.00 21.95 H new ATOM 0 HB2 MET A 180 34.613 2.037 40.112 1.00 16.47 H new ATOM 0 HB3 MET A 180 33.614 1.989 38.915 1.00 16.47 H new ATOM 0 HG2 MET A 180 32.083 3.285 40.038 1.00 14.47 H new ATOM 0 HG3 MET A 180 32.869 3.152 41.378 1.00 14.47 H new ATOM 0 HE1 MET A 180 33.421 6.822 40.694 1.00 16.13 H new ATOM 0 HE2 MET A 180 32.133 6.106 40.114 1.00 16.13 H new ATOM 0 HE3 MET A 180 32.648 5.753 41.570 1.00 16.13 H new ATOM 1449 N LEU A 181 33.561 -0.889 38.544 1.00 20.87 N ATOM 1450 CA LEU A 181 34.292 -1.910 37.803 1.00 20.45 C ATOM 1451 C LEU A 181 34.703 -1.337 36.456 1.00 20.74 C ATOM 1452 O LEU A 181 34.001 -0.512 35.865 1.00 20.16 O ATOM 1453 CB LEU A 181 33.454 -3.177 37.574 1.00 16.45 C ATOM 1454 CG LEU A 181 33.080 -4.033 38.785 1.00 24.89 C ATOM 1455 CD1 LEU A 181 32.023 -5.049 38.408 1.00 23.29 C ATOM 1456 CD2 LEU A 181 34.312 -4.724 39.354 1.00 26.45 C ATOM 0 H LEU A 181 32.861 -0.591 38.144 1.00 20.87 H new ATOM 0 HA LEU A 181 35.067 -2.162 38.329 1.00 20.45 H new ATOM 0 HB2 LEU A 181 32.631 -2.911 37.135 1.00 16.45 H new ATOM 0 HB3 LEU A 181 33.938 -3.742 36.951 1.00 16.45 H new ATOM 0 HG LEU A 181 32.715 -3.452 39.471 1.00 24.89 H new ATOM 0 HD11 LEU A 181 31.796 -5.584 39.185 1.00 23.29 H new ATOM 0 HD12 LEU A 181 31.230 -4.589 38.090 1.00 23.29 H new ATOM 0 HD13 LEU A 181 32.364 -5.626 37.707 1.00 23.29 H new ATOM 0 HD21 LEU A 181 34.057 -5.262 40.120 1.00 26.45 H new ATOM 0 HD22 LEU A 181 34.705 -5.295 38.676 1.00 26.45 H new ATOM 0 HD23 LEU A 181 34.960 -4.056 39.629 1.00 26.45 H new ATOM 1457 N CYS A 182 35.878 -1.744 36.005 1.00 19.61 N ATOM 1458 CA CYS A 182 36.387 -1.373 34.705 1.00 15.53 C ATOM 1459 C CYS A 182 36.360 -2.575 33.779 1.00 14.67 C ATOM 1460 O CYS A 182 36.681 -3.697 34.178 1.00 13.17 O ATOM 1461 CB CYS A 182 37.801 -0.813 34.845 1.00 15.16 C ATOM 1462 SG CYS A 182 37.846 0.676 35.886 1.00 16.97 S ATOM 0 H CYS A 182 36.408 -2.251 36.455 1.00 19.61 H new ATOM 0 HA CYS A 182 35.825 -0.683 34.319 1.00 15.53 H new ATOM 0 HB2 CYS A 182 38.380 -1.491 35.227 1.00 15.16 H new ATOM 0 HB3 CYS A 182 38.153 -0.602 33.966 1.00 15.16 H new ATOM 1463 N ALA A 183 35.911 -2.337 32.556 1.00 14.88 N ATOM 1464 CA ALA A 183 35.820 -3.376 31.546 1.00 15.27 C ATOM 1465 C ALA A 183 36.161 -2.739 30.214 1.00 18.90 C ATOM 1466 O ALA A 183 35.718 -1.628 29.918 1.00 20.72 O ATOM 1467 CB ALA A 183 34.415 -3.955 31.512 1.00 14.63 C ATOM 0 H ALA A 183 35.649 -1.563 32.288 1.00 14.88 H new ATOM 0 HA ALA A 183 36.432 -4.102 31.744 1.00 15.27 H new ATOM 0 HB1 ALA A 183 34.366 -4.647 30.834 1.00 14.63 H new ATOM 0 HB2 ALA A 183 34.200 -4.335 32.378 1.00 14.63 H new ATOM 0 HB3 ALA A 183 33.780 -3.252 31.302 1.00 14.63 H new ATOM 1468 N ALA A 184 36.965 -3.434 29.420 1.00 20.12 N ATOM 1469 CA ALA A 184 37.367 -2.914 28.125 1.00 21.45 C ATOM 1470 C ALA A 184 37.876 -4.008 27.208 1.00 23.06 C ATOM 1471 O ALA A 184 38.154 -5.129 27.642 1.00 23.09 O ATOM 1472 CB ALA A 184 38.440 -1.850 28.304 1.00 19.85 C ATOM 0 H ALA A 184 37.288 -4.207 29.613 1.00 20.12 H new ATOM 0 HA ALA A 184 36.582 -2.523 27.710 1.00 21.45 H new ATOM 0 HB1 ALA A 184 38.704 -1.507 27.436 1.00 19.85 H new ATOM 0 HB2 ALA A 184 38.090 -1.125 28.845 1.00 19.85 H new ATOM 0 HB3 ALA A 184 39.211 -2.239 28.746 1.00 19.85 H new ATOM 1473 N ASP A 185 37.949 -3.682 25.924 1.00 24.94 N ATOM 1474 CA ASP A 185 38.467 -4.602 24.929 1.00 24.49 C ATOM 1475 C ASP A 185 39.980 -4.514 25.061 1.00 26.00 C ATOM 1476 O ASP A 185 40.535 -3.418 25.158 1.00 28.17 O ATOM 1477 CB ASP A 185 38.039 -4.166 23.526 1.00 26.85 C ATOM 1478 CG ASP A 185 38.588 -5.070 22.438 1.00 30.43 C ATOM 1479 OD1 ASP A 185 38.360 -6.297 22.501 1.00 34.20 O ATOM 1480 OD2 ASP A 185 39.244 -4.556 21.512 1.00 32.25 O ATOM 0 H ASP A 185 37.700 -2.922 25.608 1.00 24.94 H new ATOM 0 HA ASP A 185 38.137 -5.504 25.062 1.00 24.49 H new ATOM 0 HB2 ASP A 185 37.070 -4.157 23.476 1.00 26.85 H new ATOM 0 HB3 ASP A 185 38.339 -3.257 23.368 1.00 26.85 H new ATOM 1481 N PRO A 185A 40.659 -5.665 25.159 1.00 27.42 N ATOM 1482 CA PRO A 185A 42.118 -5.659 25.288 1.00 27.77 C ATOM 1483 C PRO A 185A 42.814 -4.931 24.136 1.00 29.34 C ATOM 1484 O PRO A 185A 43.953 -4.480 24.279 1.00 30.21 O ATOM 1485 CB PRO A 185A 42.466 -7.150 25.326 1.00 30.26 C ATOM 1486 CG PRO A 185A 41.305 -7.808 24.623 1.00 29.78 C ATOM 1487 CD PRO A 185A 40.139 -7.042 25.165 1.00 25.81 C ATOM 0 HA PRO A 185A 42.420 -5.176 26.073 1.00 27.77 H new ATOM 0 HB2 PRO A 185A 43.305 -7.331 24.874 1.00 30.26 H new ATOM 0 HB3 PRO A 185A 42.559 -7.471 26.237 1.00 30.26 H new ATOM 0 HG2 PRO A 185A 41.373 -7.731 23.659 1.00 29.78 H new ATOM 0 HG3 PRO A 185A 41.245 -8.754 24.828 1.00 29.78 H new ATOM 0 HD2 PRO A 185A 39.350 -7.136 24.608 1.00 25.81 H new ATOM 0 HD3 PRO A 185A 39.893 -7.335 26.056 1.00 25.81 H new ATOM 1488 N GLN A 185B 42.129 -4.830 23.001 1.00 31.85 N ATOM 1489 CA GLN A 185B 42.664 -4.151 21.824 1.00 33.84 C ATOM 1490 C GLN A 185B 42.089 -2.743 21.649 1.00 32.24 C ATOM 1491 O GLN A 185B 42.474 -2.019 20.725 1.00 28.78 O ATOM 1492 CB GLN A 185B 42.406 -4.986 20.567 1.00 36.40 C ATOM 1493 CG GLN A 185B 43.104 -6.338 20.570 1.00 38.84 C ATOM 1494 CD GLN A 185B 42.846 -7.147 19.310 0.00 38.13 C ATOM 1495 OE1 GLN A 185B 42.221 -6.670 18.362 0.00 38.34 O ATOM 1496 NE2 GLN A 185B 43.340 -8.381 19.292 0.00 38.34 N ATOM 0 H GLN A 185B 41.340 -5.154 22.891 1.00 31.85 H new ATOM 0 HA GLN A 185B 43.620 -4.056 21.960 1.00 33.84 H new ATOM 0 HB2 GLN A 185B 41.451 -5.125 20.473 1.00 36.40 H new ATOM 0 HB3 GLN A 185B 42.697 -4.483 19.790 1.00 36.40 H new ATOM 0 HG2 GLN A 185B 44.059 -6.202 20.670 1.00 38.84 H new ATOM 0 HG3 GLN A 185B 42.807 -6.847 21.341 1.00 38.84 H new ATOM 0 HE21 GLN A 185B 43.772 -8.681 19.973 0.00 38.34 H new ATOM 0 HE22 GLN A 185B 43.228 -8.879 18.600 0.00 38.34 H new ATOM 1497 N TRP A 186 41.188 -2.359 22.551 1.00 31.19 N ATOM 1498 CA TRP A 186 40.546 -1.043 22.543 1.00 29.71 C ATOM 1499 C TRP A 186 39.752 -0.763 21.264 1.00 29.60 C ATOM 1500 O TRP A 186 39.623 0.389 20.837 1.00 30.98 O ATOM 1501 CB TRP A 186 41.589 0.059 22.778 1.00 28.06 C ATOM 1502 CG TRP A 186 42.504 -0.222 23.936 1.00 31.21 C ATOM 1503 CD1 TRP A 186 43.803 -0.637 23.870 1.00 30.56 C ATOM 1504 CD2 TRP A 186 42.179 -0.144 25.330 1.00 28.53 C ATOM 1505 NE1 TRP A 186 44.307 -0.825 25.134 1.00 31.25 N ATOM 1506 CE2 TRP A 186 43.332 -0.530 26.049 1.00 29.48 C ATOM 1507 CE3 TRP A 186 41.027 0.216 26.041 1.00 28.89 C ATOM 1508 CZ2 TRP A 186 43.365 -0.570 27.446 1.00 28.86 C ATOM 1509 CZ3 TRP A 186 41.061 0.176 27.431 1.00 30.01 C ATOM 1510 CH2 TRP A 186 42.224 -0.214 28.117 1.00 30.45 C ATOM 0 H TRP A 186 40.927 -2.864 23.197 1.00 31.19 H new ATOM 0 HA TRP A 186 39.903 -1.045 23.269 1.00 29.71 H new ATOM 0 HB2 TRP A 186 42.120 0.169 21.974 1.00 28.06 H new ATOM 0 HB3 TRP A 186 41.132 0.900 22.933 1.00 28.06 H new ATOM 0 HD1 TRP A 186 44.278 -0.773 23.082 1.00 30.56 H new ATOM 0 HE1 TRP A 186 45.105 -1.086 25.320 1.00 31.25 H new ATOM 0 HE3 TRP A 186 40.255 0.477 25.593 1.00 28.89 H new ATOM 0 HZ2 TRP A 186 44.133 -0.829 27.903 1.00 28.86 H new ATOM 0 HZ3 TRP A 186 40.302 0.411 27.914 1.00 30.01 H new ATOM 0 HH2 TRP A 186 42.219 -0.231 29.047 1.00 30.45 H new ATOM 1511 N LYS A 187 39.217 -1.822 20.665 1.00 31.83 N ATOM 1512 CA LYS A 187 38.432 -1.717 19.439 1.00 31.63 C ATOM 1513 C LYS A 187 36.933 -1.602 19.702 1.00 30.25 C ATOM 1514 O LYS A 187 36.213 -0.954 18.938 1.00 30.11 O ATOM 1515 CB LYS A 187 38.708 -2.914 18.525 1.00 31.76 C ATOM 1516 CG LYS A 187 40.103 -2.930 17.922 1.00 33.75 C ATOM 1517 CD LYS A 187 40.234 -1.874 16.835 0.00 33.18 C ATOM 1518 CE LYS A 187 41.594 -1.935 16.162 0.00 33.33 C ATOM 1519 NZ LYS A 187 41.717 -0.918 15.078 0.00 33.21 N ATOM 0 H LYS A 187 39.299 -2.626 20.960 1.00 31.83 H new ATOM 0 HA LYS A 187 38.710 -0.897 19.002 1.00 31.63 H new ATOM 0 HB2 LYS A 187 38.576 -3.731 19.031 1.00 31.76 H new ATOM 0 HB3 LYS A 187 38.056 -2.916 17.807 1.00 31.76 H new ATOM 0 HG2 LYS A 187 40.762 -2.769 18.616 1.00 33.75 H new ATOM 0 HG3 LYS A 187 40.290 -3.807 17.551 1.00 33.75 H new ATOM 0 HD2 LYS A 187 39.537 -2.002 16.172 0.00 33.18 H new ATOM 0 HD3 LYS A 187 40.101 -0.994 17.220 0.00 33.18 H new ATOM 0 HE2 LYS A 187 42.289 -1.790 16.823 0.00 33.33 H new ATOM 0 HE3 LYS A 187 41.733 -2.821 15.793 0.00 33.33 H new ATOM 0 HZ1 LYS A 187 42.522 -0.978 14.704 0.00 33.21 H new ATOM 0 HZ2 LYS A 187 41.092 -1.064 14.461 0.00 33.21 H new ATOM 0 HZ3 LYS A 187 41.610 -0.104 15.421 0.00 33.21 H new ATOM 1520 N THR A 188 36.463 -2.251 20.764 1.00 27.66 N ATOM 1521 CA THR A 188 35.048 -2.221 21.122 1.00 25.25 C ATOM 1522 C THR A 188 34.834 -1.639 22.521 1.00 26.97 C ATOM 1523 O THR A 188 35.692 -1.769 23.397 1.00 30.89 O ATOM 1524 CB THR A 188 34.410 -3.634 21.017 1.00 26.23 C ATOM 1525 OG1 THR A 188 32.983 -3.538 21.128 1.00 30.15 O ATOM 1526 CG2 THR A 188 34.941 -4.559 22.098 1.00 26.86 C ATOM 0 H THR A 188 36.952 -2.719 21.295 1.00 27.66 H new ATOM 0 HA THR A 188 34.605 -1.639 20.485 1.00 25.25 H new ATOM 0 HB THR A 188 34.647 -4.004 20.152 1.00 26.23 H new ATOM 0 HG1 THR A 188 32.718 -2.842 20.739 1.00 30.15 H new ATOM 0 HG21 THR A 188 34.527 -5.432 22.009 1.00 26.86 H new ATOM 0 HG22 THR A 188 35.903 -4.647 22.006 1.00 26.86 H new ATOM 0 HG23 THR A 188 34.733 -4.190 22.971 1.00 26.86 H new ATOM 1527 N ASP A 189 33.691 -0.984 22.712 1.00 22.74 N ATOM 1528 CA ASP A 189 33.348 -0.361 23.990 1.00 18.10 C ATOM 1529 C ASP A 189 31.946 0.204 23.928 1.00 17.18 C ATOM 1530 O ASP A 189 31.332 0.294 22.857 1.00 15.65 O ATOM 1531 CB ASP A 189 34.330 0.773 24.290 1.00 17.04 C ATOM 1532 CG ASP A 189 34.190 1.335 25.695 1.00 18.75 C ATOM 1533 OD1 ASP A 189 33.606 0.683 26.591 1.00 18.66 O ATOM 1534 OD2 ASP A 189 34.707 2.445 25.907 1.00 20.13 O ATOM 0 H ASP A 189 33.091 -0.888 22.103 1.00 22.74 H new ATOM 0 HA ASP A 189 33.397 -1.031 24.689 1.00 18.10 H new ATOM 0 HB2 ASP A 189 35.236 0.449 24.167 1.00 17.04 H new ATOM 0 HB3 ASP A 189 34.195 1.487 23.648 1.00 17.04 H new ATOM 1535 N SER A 190 31.411 0.492 25.107 1.00 14.31 N ATOM 1536 CA SER A 190 30.108 1.105 25.218 1.00 13.24 C ATOM 1537 C SER A 190 30.418 2.587 24.994 1.00 13.13 C ATOM 1538 O SER A 190 31.577 3.006 25.085 1.00 9.05 O ATOM 1539 CB SER A 190 29.523 0.851 26.608 1.00 16.71 C ATOM 1540 OG SER A 190 30.464 1.129 27.634 1.00 16.96 O ATOM 0 H SER A 190 31.796 0.336 25.860 1.00 14.31 H new ATOM 0 HA SER A 190 29.450 0.761 24.594 1.00 13.24 H new ATOM 0 HB2 SER A 190 28.735 1.403 26.733 1.00 16.71 H new ATOM 0 HB3 SER A 190 29.236 -0.073 26.674 1.00 16.71 H new ATOM 0 HG SER A 190 30.581 0.441 28.101 1.00 16.96 H new ATOM 1541 N CYS A 191 29.399 3.381 24.701 1.00 12.72 N ATOM 1542 CA CYS A 191 29.613 4.792 24.415 1.00 13.02 C ATOM 1543 C CYS A 191 28.398 5.581 24.887 1.00 14.31 C ATOM 1544 O CYS A 191 27.522 5.032 25.553 1.00 12.74 O ATOM 1545 CB CYS A 191 29.829 4.996 22.913 1.00 14.65 C ATOM 1546 SG CYS A 191 30.383 6.662 22.426 1.00 14.11 S ATOM 0 H CYS A 191 28.579 3.125 24.662 1.00 12.72 H new ATOM 0 HA CYS A 191 30.403 5.105 24.882 1.00 13.02 H new ATOM 0 HB2 CYS A 191 30.484 4.350 22.605 1.00 14.65 H new ATOM 0 HB3 CYS A 191 28.998 4.800 22.452 1.00 14.65 H new ATOM 1547 N GLN A 192 28.331 6.861 24.528 1.00 18.63 N ATOM 1548 CA GLN A 192 27.176 7.683 24.901 1.00 22.73 C ATOM 1549 C GLN A 192 25.874 7.049 24.413 1.00 20.07 C ATOM 1550 O GLN A 192 25.718 6.742 23.227 1.00 18.34 O ATOM 1551 CB GLN A 192 27.308 9.117 24.360 1.00 29.21 C ATOM 1552 CG GLN A 192 26.038 9.967 24.538 1.00 38.39 C ATOM 1553 CD GLN A 192 26.320 11.464 24.577 1.00 45.99 C ATOM 1554 OE1 GLN A 192 26.486 12.107 23.537 1.00 46.26 O ATOM 1555 NE2 GLN A 192 26.372 12.026 25.788 1.00 46.61 N ATOM 0 H GLN A 192 28.935 7.271 24.073 1.00 18.63 H new ATOM 0 HA GLN A 192 27.153 7.728 25.870 1.00 22.73 H new ATOM 0 HB2 GLN A 192 28.047 9.557 24.809 1.00 29.21 H new ATOM 0 HB3 GLN A 192 27.532 9.079 23.417 1.00 29.21 H new ATOM 0 HG2 GLN A 192 25.425 9.778 23.811 1.00 38.39 H new ATOM 0 HG3 GLN A 192 25.593 9.706 25.360 1.00 38.39 H new ATOM 0 HE21 GLN A 192 26.251 11.545 26.491 1.00 46.61 H new ATOM 0 HE22 GLN A 192 26.526 12.869 25.865 1.00 46.61 H new ATOM 1556 N GLY A 193 24.960 6.833 25.352 1.00 19.05 N ATOM 1557 CA GLY A 193 23.685 6.230 25.023 1.00 17.53 C ATOM 1558 C GLY A 193 23.520 4.862 25.657 1.00 17.26 C ATOM 1559 O GLY A 193 22.400 4.438 25.926 1.00 22.03 O ATOM 0 H GLY A 193 25.062 7.029 26.183 1.00 19.05 H new ATOM 0 HA2 GLY A 193 22.968 6.811 25.320 1.00 17.53 H new ATOM 0 HA3 GLY A 193 23.605 6.150 24.060 1.00 17.53 H new ATOM 1560 N ASP A 194 24.617 4.150 25.879 1.00 9.90 N ATOM 1561 CA ASP A 194 24.512 2.842 26.487 1.00 12.09 C ATOM 1562 C ASP A 194 24.353 2.936 28.001 1.00 13.91 C ATOM 1563 O ASP A 194 24.065 1.940 28.652 1.00 14.91 O ATOM 1564 CB ASP A 194 25.725 1.989 26.137 1.00 14.54 C ATOM 1565 CG ASP A 194 25.924 1.839 24.635 1.00 18.63 C ATOM 1566 OD1 ASP A 194 24.960 1.479 23.928 1.00 12.43 O ATOM 1567 OD2 ASP A 194 27.059 2.073 24.166 1.00 19.83 O ATOM 0 H ASP A 194 25.416 4.404 25.688 1.00 9.90 H new ATOM 0 HA ASP A 194 23.715 2.419 26.130 1.00 12.09 H new ATOM 0 HB2 ASP A 194 26.519 2.387 26.527 1.00 14.54 H new ATOM 0 HB3 ASP A 194 25.624 1.110 26.535 1.00 14.54 H new ATOM 1568 N SER A 195 24.514 4.140 28.547 1.00 13.87 N ATOM 1569 CA SER A 195 24.399 4.374 29.978 1.00 13.34 C ATOM 1570 C SER A 195 23.151 3.754 30.563 1.00 14.78 C ATOM 1571 O SER A 195 22.100 3.710 29.913 1.00 15.90 O ATOM 1572 CB SER A 195 24.404 5.868 30.293 1.00 15.60 C ATOM 1573 OG SER A 195 25.697 6.423 30.154 1.00 17.92 O ATOM 0 H SER A 195 24.694 4.847 28.091 1.00 13.87 H new ATOM 0 HA SER A 195 25.172 3.951 30.384 1.00 13.34 H new ATOM 0 HB2 SER A 195 23.788 6.327 29.700 1.00 15.60 H new ATOM 0 HB3 SER A 195 24.085 6.010 31.198 1.00 15.60 H new ATOM 0 HG SER A 195 25.687 7.009 29.553 1.00 17.92 H new ATOM 1574 N GLY A 196 23.284 3.264 31.792 1.00 12.11 N ATOM 1575 CA GLY A 196 22.169 2.645 32.469 1.00 11.47 C ATOM 1576 C GLY A 196 21.934 1.220 32.021 1.00 12.18 C ATOM 1577 O GLY A 196 21.110 0.524 32.604 1.00 17.17 O ATOM 0 H GLY A 196 24.015 3.284 32.245 1.00 12.11 H new ATOM 0 HA2 GLY A 196 22.329 2.657 33.426 1.00 11.47 H new ATOM 0 HA3 GLY A 196 21.367 3.167 32.309 1.00 11.47 H new ATOM 1578 N GLY A 197 22.663 0.786 30.996 1.00 11.82 N ATOM 1579 CA GLY A 197 22.522 -0.564 30.472 1.00 11.11 C ATOM 1580 C GLY A 197 23.312 -1.598 31.247 1.00 11.37 C ATOM 1581 O GLY A 197 24.220 -1.246 32.004 1.00 12.60 O ATOM 0 H GLY A 197 23.250 1.265 30.588 1.00 11.82 H new ATOM 0 HA2 GLY A 197 21.584 -0.811 30.481 1.00 11.11 H new ATOM 0 HA3 GLY A 197 22.809 -0.575 29.546 1.00 11.11 H new ATOM 1582 N PRO A 198 23.069 -2.889 30.992 1.00 11.38 N ATOM 1583 CA PRO A 198 23.739 -4.005 31.670 1.00 12.44 C ATOM 1584 C PRO A 198 25.117 -4.450 31.208 1.00 13.42 C ATOM 1585 O PRO A 198 25.460 -4.379 30.027 1.00 15.55 O ATOM 1586 CB PRO A 198 22.750 -5.142 31.470 1.00 11.33 C ATOM 1587 CG PRO A 198 22.302 -4.899 30.058 1.00 11.93 C ATOM 1588 CD PRO A 198 22.104 -3.390 29.996 1.00 11.74 C ATOM 0 HA PRO A 198 23.941 -3.722 32.576 1.00 12.44 H new ATOM 0 HB2 PRO A 198 23.166 -6.012 31.577 1.00 11.33 H new ATOM 0 HB3 PRO A 198 22.013 -5.101 32.100 1.00 11.33 H new ATOM 0 HG2 PRO A 198 22.966 -5.198 29.417 1.00 11.93 H new ATOM 0 HG3 PRO A 198 21.481 -5.375 29.858 1.00 11.93 H new ATOM 0 HD2 PRO A 198 22.287 -3.040 29.110 1.00 11.74 H new ATOM 0 HD3 PRO A 198 21.194 -3.137 30.218 1.00 11.74 H new ATOM 1589 N LEU A 199 25.895 -4.911 32.180 1.00 15.56 N ATOM 1590 CA LEU A 199 27.217 -5.480 31.953 1.00 15.55 C ATOM 1591 C LEU A 199 26.952 -6.844 32.564 1.00 14.53 C ATOM 1592 O LEU A 199 26.932 -6.995 33.782 1.00 15.96 O ATOM 1593 CB LEU A 199 28.323 -4.747 32.726 1.00 14.20 C ATOM 1594 CG LEU A 199 29.689 -5.462 32.792 1.00 13.25 C ATOM 1595 CD1 LEU A 199 30.332 -5.570 31.434 1.00 12.77 C ATOM 1596 CD2 LEU A 199 30.617 -4.724 33.722 1.00 20.25 C ATOM 0 H LEU A 199 25.664 -4.901 33.008 1.00 15.56 H new ATOM 0 HA LEU A 199 27.530 -5.453 31.035 1.00 15.55 H new ATOM 0 HB2 LEU A 199 28.453 -3.875 32.321 1.00 14.20 H new ATOM 0 HB3 LEU A 199 28.013 -4.595 33.633 1.00 14.20 H new ATOM 0 HG LEU A 199 29.529 -6.359 33.125 1.00 13.25 H new ATOM 0 HD11 LEU A 199 31.186 -6.023 31.515 1.00 12.77 H new ATOM 0 HD12 LEU A 199 29.753 -6.075 30.841 1.00 12.77 H new ATOM 0 HD13 LEU A 199 30.471 -4.682 31.070 1.00 12.77 H new ATOM 0 HD21 LEU A 199 31.472 -5.181 33.756 1.00 20.25 H new ATOM 0 HD22 LEU A 199 30.748 -3.819 33.398 1.00 20.25 H new ATOM 0 HD23 LEU A 199 30.230 -4.696 34.611 1.00 20.25 H new ATOM 1597 N VAL A 200 26.603 -7.793 31.706 1.00 16.09 N ATOM 1598 CA VAL A 200 26.280 -9.134 32.143 1.00 20.24 C ATOM 1599 C VAL A 200 27.453 -10.084 32.084 1.00 22.94 C ATOM 1600 O VAL A 200 28.174 -10.141 31.091 1.00 22.86 O ATOM 1601 CB VAL A 200 25.144 -9.733 31.318 1.00 20.05 C ATOM 1602 CG1 VAL A 200 24.773 -11.110 31.869 1.00 16.42 C ATOM 1603 CG2 VAL A 200 23.955 -8.800 31.323 1.00 19.17 C ATOM 0 H VAL A 200 26.548 -7.674 30.856 1.00 16.09 H new ATOM 0 HA VAL A 200 26.011 -9.035 33.070 1.00 20.24 H new ATOM 0 HB VAL A 200 25.434 -9.844 30.399 1.00 20.05 H new ATOM 0 HG11 VAL A 200 24.051 -11.486 31.342 1.00 16.42 H new ATOM 0 HG12 VAL A 200 25.545 -11.696 31.824 1.00 16.42 H new ATOM 0 HG13 VAL A 200 24.487 -11.023 32.792 1.00 16.42 H new ATOM 0 HG21 VAL A 200 23.238 -9.187 30.797 1.00 19.17 H new ATOM 0 HG22 VAL A 200 23.652 -8.667 32.235 1.00 19.17 H new ATOM 0 HG23 VAL A 200 24.212 -7.946 30.940 1.00 19.17 H new ATOM 1604 N CYS A 201 27.612 -10.853 33.152 1.00 25.10 N ATOM 1605 CA CYS A 201 28.688 -11.818 33.238 1.00 25.80 C ATOM 1606 C CYS A 201 28.122 -13.170 33.598 1.00 26.59 C ATOM 1607 O CYS A 201 27.176 -13.265 34.375 1.00 25.98 O ATOM 1608 CB CYS A 201 29.687 -11.402 34.312 1.00 24.75 C ATOM 1609 SG CYS A 201 30.356 -9.725 34.120 1.00 22.33 S ATOM 0 H CYS A 201 27.100 -10.828 33.843 1.00 25.10 H new ATOM 0 HA CYS A 201 29.138 -11.860 32.380 1.00 25.80 H new ATOM 0 HB2 CYS A 201 29.257 -11.468 35.179 1.00 24.75 H new ATOM 0 HB3 CYS A 201 30.424 -12.033 34.312 1.00 24.75 H new ATOM 1610 N SER A 202 28.670 -14.211 32.985 1.00 30.82 N ATOM 1611 CA SER A 202 28.316 -15.583 33.322 1.00 34.28 C ATOM 1612 C SER A 202 29.050 -15.991 34.598 1.00 35.69 C ATOM 1613 O SER A 202 30.225 -16.374 34.564 1.00 34.60 O ATOM 1614 CB SER A 202 28.668 -16.523 32.159 1.00 33.65 C ATOM 1615 OG SER A 202 28.173 -17.832 32.386 1.00 34.70 O ATOM 0 H SER A 202 29.258 -14.142 32.361 1.00 30.82 H new ATOM 0 HA SER A 202 27.360 -15.646 33.476 1.00 34.28 H new ATOM 0 HB2 SER A 202 28.297 -16.173 31.334 1.00 33.65 H new ATOM 0 HB3 SER A 202 29.631 -16.554 32.046 1.00 33.65 H new ATOM 0 HG SER A 202 28.377 -18.325 31.737 1.00 34.70 H new ATOM 1616 N LEU A 203 28.366 -15.846 35.728 1.00 38.49 N ATOM 1617 CA LEU A 203 28.929 -16.183 37.028 1.00 41.03 C ATOM 1618 C LEU A 203 28.435 -17.540 37.518 1.00 41.31 C ATOM 1619 O LEU A 203 27.271 -17.691 37.892 1.00 37.59 O ATOM 1620 CB LEU A 203 28.572 -15.104 38.054 1.00 44.49 C ATOM 1621 CG LEU A 203 29.713 -14.498 38.877 1.00 47.60 C ATOM 1622 CD1 LEU A 203 29.140 -13.513 39.881 1.00 47.30 C ATOM 1623 CD2 LEU A 203 30.500 -15.584 39.591 1.00 48.72 C ATOM 0 H LEU A 203 27.560 -15.548 35.761 1.00 38.49 H new ATOM 0 HA LEU A 203 29.893 -16.230 36.927 1.00 41.03 H new ATOM 0 HB2 LEU A 203 28.126 -14.382 37.584 1.00 44.49 H new ATOM 0 HB3 LEU A 203 27.926 -15.482 38.672 1.00 44.49 H new ATOM 0 HG LEU A 203 30.320 -14.034 38.280 1.00 47.60 H new ATOM 0 HD11 LEU A 203 29.860 -13.128 40.404 1.00 47.30 H new ATOM 0 HD12 LEU A 203 28.669 -12.808 39.410 1.00 47.30 H new ATOM 0 HD13 LEU A 203 28.524 -13.974 40.471 1.00 47.30 H new ATOM 0 HD21 LEU A 203 31.216 -15.180 40.105 1.00 48.72 H new ATOM 0 HD22 LEU A 203 29.911 -16.072 40.187 1.00 48.72 H new ATOM 0 HD23 LEU A 203 30.876 -16.194 38.937 1.00 48.72 H new ATOM 1624 N GLN A 204 29.341 -18.514 37.542 1.00 42.42 N ATOM 1625 CA GLN A 204 29.028 -19.869 37.992 1.00 43.95 C ATOM 1626 C GLN A 204 27.873 -20.511 37.217 1.00 43.33 C ATOM 1627 O GLN A 204 27.009 -21.176 37.797 1.00 43.70 O ATOM 1628 CB GLN A 204 28.755 -19.880 39.502 1.00 45.47 C ATOM 1629 CG GLN A 204 29.986 -19.570 40.352 1.00 47.73 C ATOM 1630 CD GLN A 204 29.683 -18.705 41.566 1.00 48.67 C ATOM 1631 OE1 GLN A 204 30.514 -17.900 41.988 1.00 46.13 O ATOM 1632 NE2 GLN A 204 28.505 -18.889 42.151 1.00 51.27 N ATOM 0 H GLN A 204 30.158 -18.407 37.297 1.00 42.42 H new ATOM 0 HA GLN A 204 29.809 -20.414 37.807 1.00 43.95 H new ATOM 0 HB2 GLN A 204 28.062 -19.231 39.702 1.00 45.47 H new ATOM 0 HB3 GLN A 204 28.409 -20.751 39.754 1.00 45.47 H new ATOM 0 HG2 GLN A 204 30.383 -20.404 40.649 1.00 47.73 H new ATOM 0 HG3 GLN A 204 30.646 -19.121 39.801 1.00 47.73 H new ATOM 0 HE21 GLN A 204 27.949 -19.460 41.828 1.00 51.27 H new ATOM 0 HE22 GLN A 204 28.298 -18.437 42.853 1.00 51.27 H new ATOM 1633 N GLY A 205 27.906 -20.353 35.897 1.00 42.47 N ATOM 1634 CA GLY A 205 26.878 -20.918 35.039 1.00 42.61 C ATOM 1635 C GLY A 205 25.526 -20.239 35.140 1.00 42.84 C ATOM 1636 O GLY A 205 24.494 -20.856 34.861 1.00 44.54 O ATOM 0 H GLY A 205 28.520 -19.919 35.479 1.00 42.47 H new ATOM 0 HA2 GLY A 205 27.181 -20.873 34.119 1.00 42.61 H new ATOM 0 HA3 GLY A 205 26.772 -21.857 35.257 1.00 42.61 H new ATOM 1637 N ARG A 206 25.530 -18.961 35.503 1.00 42.47 N ATOM 1638 CA ARG A 206 24.299 -18.197 35.649 1.00 38.91 C ATOM 1639 C ARG A 206 24.535 -16.762 35.187 1.00 35.89 C ATOM 1640 O ARG A 206 25.513 -16.132 35.582 1.00 34.26 O ATOM 1641 CB ARG A 206 23.859 -18.209 37.116 1.00 38.43 C ATOM 1642 CG ARG A 206 22.380 -17.949 37.352 1.00 40.12 C ATOM 1643 CD ARG A 206 21.961 -18.500 38.708 1.00 41.08 C ATOM 1644 NE ARG A 206 20.513 -18.649 38.839 1.00 42.17 N ATOM 1645 CZ ARG A 206 19.900 -19.071 39.942 1.00 42.72 C ATOM 1646 NH1 ARG A 206 20.604 -19.391 41.020 1.00 43.10 N ATOM 1647 NH2 ARG A 206 18.579 -19.170 39.970 1.00 43.10 N ATOM 0 H ARG A 206 26.245 -18.514 35.671 1.00 42.47 H new ATOM 0 HA ARG A 206 23.601 -18.596 35.106 1.00 38.91 H new ATOM 0 HB2 ARG A 206 24.086 -19.071 37.500 1.00 38.43 H new ATOM 0 HB3 ARG A 206 24.371 -17.540 37.597 1.00 38.43 H new ATOM 0 HG2 ARG A 206 22.202 -16.996 37.313 1.00 40.12 H new ATOM 0 HG3 ARG A 206 21.855 -18.365 36.650 1.00 40.12 H new ATOM 0 HD2 ARG A 206 22.384 -19.362 38.846 1.00 41.08 H new ATOM 0 HD3 ARG A 206 22.285 -17.910 39.406 1.00 41.08 H new ATOM 0 HE ARG A 206 20.025 -18.451 38.159 1.00 42.17 H new ATOM 0 HH11 ARG A 206 21.461 -19.326 41.008 1.00 43.10 H new ATOM 0 HH12 ARG A 206 20.203 -19.663 41.730 1.00 43.10 H new ATOM 0 HH21 ARG A 206 18.117 -18.961 39.275 1.00 43.10 H new ATOM 0 HH22 ARG A 206 18.183 -19.443 40.683 1.00 43.10 H new ATOM 1648 N MET A 207 23.662 -16.267 34.314 1.00 34.58 N ATOM 1649 CA MET A 207 23.777 -14.901 33.809 1.00 33.58 C ATOM 1650 C MET A 207 23.493 -13.918 34.940 1.00 31.79 C ATOM 1651 O MET A 207 22.407 -13.933 35.523 1.00 32.31 O ATOM 1652 CB MET A 207 22.797 -14.673 32.655 1.00 36.10 C ATOM 1653 CG MET A 207 23.047 -15.563 31.451 1.00 35.49 C ATOM 1654 SD MET A 207 24.255 -14.861 30.316 1.00 39.79 S ATOM 1655 CE MET A 207 25.512 -16.125 30.355 1.00 37.78 C ATOM 0 H MET A 207 22.993 -16.707 34.000 1.00 34.58 H new ATOM 0 HA MET A 207 24.678 -14.760 33.477 1.00 33.58 H new ATOM 0 HB2 MET A 207 21.894 -14.823 32.975 1.00 36.10 H new ATOM 0 HB3 MET A 207 22.849 -13.745 32.377 1.00 36.10 H new ATOM 0 HG2 MET A 207 23.357 -16.431 31.753 1.00 35.49 H new ATOM 0 HG3 MET A 207 22.211 -15.708 30.980 1.00 35.49 H new ATOM 0 HE1 MET A 207 26.245 -15.871 29.772 1.00 37.78 H new ATOM 0 HE2 MET A 207 25.841 -16.226 31.262 1.00 37.78 H new ATOM 0 HE3 MET A 207 25.135 -16.966 30.053 1.00 37.78 H new ATOM 1656 N THR A 208 24.452 -13.040 35.215 1.00 30.28 N ATOM 1657 CA THR A 208 24.308 -12.073 36.297 1.00 28.41 C ATOM 1658 C THR A 208 24.505 -10.620 35.866 1.00 27.60 C ATOM 1659 O THR A 208 25.254 -10.326 34.932 1.00 28.56 O ATOM 1660 CB THR A 208 25.282 -12.398 37.456 1.00 29.09 C ATOM 1661 OG1 THR A 208 25.190 -13.790 37.786 1.00 28.99 O ATOM 1662 CG2 THR A 208 24.940 -11.584 38.694 1.00 30.83 C ATOM 0 H THR A 208 25.195 -12.988 34.786 1.00 30.28 H new ATOM 0 HA THR A 208 23.388 -12.156 36.593 1.00 28.41 H new ATOM 0 HB THR A 208 26.181 -12.177 37.166 1.00 29.09 H new ATOM 0 HG1 THR A 208 25.720 -13.965 38.414 1.00 28.99 H new ATOM 0 HG21 THR A 208 25.561 -11.802 39.407 1.00 30.83 H new ATOM 0 HG22 THR A 208 25.005 -10.638 38.488 1.00 30.83 H new ATOM 0 HG23 THR A 208 24.036 -11.791 38.978 1.00 30.83 H new ATOM 1663 N LEU A 209 23.778 -9.724 36.529 1.00 25.70 N ATOM 1664 CA LEU A 209 23.863 -8.292 36.268 1.00 23.66 C ATOM 1665 C LEU A 209 24.995 -7.752 37.144 1.00 21.98 C ATOM 1666 O LEU A 209 24.766 -7.252 38.247 1.00 21.11 O ATOM 1667 CB LEU A 209 22.523 -7.624 36.610 1.00 24.38 C ATOM 1668 CG LEU A 209 22.200 -6.197 36.145 1.00 24.37 C ATOM 1669 CD1 LEU A 209 22.818 -5.157 37.061 1.00 26.09 C ATOM 1670 CD2 LEU A 209 22.640 -6.002 34.703 1.00 22.14 C ATOM 0 H LEU A 209 23.218 -9.933 37.147 1.00 25.70 H new ATOM 0 HA LEU A 209 24.046 -8.106 35.334 1.00 23.66 H new ATOM 0 HB2 LEU A 209 21.824 -8.199 36.263 1.00 24.38 H new ATOM 0 HB3 LEU A 209 22.442 -7.631 37.577 1.00 24.38 H new ATOM 0 HG LEU A 209 21.239 -6.074 36.190 1.00 24.37 H new ATOM 0 HD11 LEU A 209 22.595 -4.269 36.740 1.00 26.09 H new ATOM 0 HD12 LEU A 209 22.472 -5.271 37.960 1.00 26.09 H new ATOM 0 HD13 LEU A 209 23.782 -5.265 37.070 1.00 26.09 H new ATOM 0 HD21 LEU A 209 22.431 -5.098 34.420 1.00 22.14 H new ATOM 0 HD22 LEU A 209 23.596 -6.149 34.633 1.00 22.14 H new ATOM 0 HD23 LEU A 209 22.174 -6.634 34.134 1.00 22.14 H new ATOM 1671 N THR A 210 26.218 -7.873 36.640 1.00 18.57 N ATOM 1672 CA THR A 210 27.414 -7.443 37.357 1.00 16.38 C ATOM 1673 C THR A 210 27.573 -5.931 37.456 1.00 15.74 C ATOM 1674 O THR A 210 28.052 -5.428 38.471 1.00 13.27 O ATOM 1675 CB THR A 210 28.674 -8.053 36.718 1.00 16.61 C ATOM 1676 OG1 THR A 210 28.551 -9.478 36.714 1.00 16.74 O ATOM 1677 CG2 THR A 210 29.921 -7.672 37.497 1.00 13.08 C ATOM 0 H THR A 210 26.379 -8.210 35.865 1.00 18.57 H new ATOM 0 HA THR A 210 27.302 -7.768 38.264 1.00 16.38 H new ATOM 0 HB THR A 210 28.756 -7.712 35.814 1.00 16.61 H new ATOM 0 HG1 THR A 210 29.316 -9.825 36.698 1.00 16.74 H new ATOM 0 HG21 THR A 210 30.700 -8.068 37.075 1.00 13.08 H new ATOM 0 HG22 THR A 210 30.014 -6.707 37.506 1.00 13.08 H new ATOM 0 HG23 THR A 210 29.846 -7.998 38.407 1.00 13.08 H new ATOM 1678 N GLY A 211 27.184 -5.211 36.410 1.00 18.62 N ATOM 1679 CA GLY A 211 27.327 -3.767 36.438 1.00 17.38 C ATOM 1680 C GLY A 211 26.365 -2.989 35.565 1.00 16.89 C ATOM 1681 O GLY A 211 25.610 -3.550 34.763 1.00 12.56 O ATOM 0 H GLY A 211 26.842 -5.533 35.690 1.00 18.62 H new ATOM 0 HA2 GLY A 211 27.220 -3.467 37.354 1.00 17.38 H new ATOM 0 HA3 GLY A 211 28.232 -3.544 36.170 1.00 17.38 H new ATOM 1682 N ILE A 212 26.409 -1.673 35.737 1.00 16.23 N ATOM 1683 CA ILE A 212 25.566 -0.749 34.993 1.00 14.61 C ATOM 1684 C ILE A 212 26.476 0.255 34.299 1.00 13.19 C ATOM 1685 O ILE A 212 27.320 0.867 34.944 1.00 14.92 O ATOM 1686 CB ILE A 212 24.616 0.020 35.949 1.00 15.96 C ATOM 1687 CG1 ILE A 212 23.794 -0.969 36.780 1.00 13.38 C ATOM 1688 CG2 ILE A 212 23.699 0.952 35.159 1.00 13.62 C ATOM 1689 CD1 ILE A 212 23.002 -0.308 37.861 1.00 15.43 C ATOM 0 H ILE A 212 26.936 -1.288 36.296 1.00 16.23 H new ATOM 0 HA ILE A 212 25.029 -1.244 34.354 1.00 14.61 H new ATOM 0 HB ILE A 212 25.151 0.561 36.551 1.00 15.96 H new ATOM 0 HG12 ILE A 212 23.191 -1.453 36.194 1.00 13.38 H new ATOM 0 HG13 ILE A 212 24.390 -1.624 37.177 1.00 13.38 H new ATOM 0 HG21 ILE A 212 23.113 1.424 35.771 1.00 13.62 H new ATOM 0 HG22 ILE A 212 24.235 1.593 34.666 1.00 13.62 H new ATOM 0 HG23 ILE A 212 23.166 0.432 34.538 1.00 13.62 H new ATOM 0 HD11 ILE A 212 22.503 -0.979 38.353 1.00 15.43 H new ATOM 0 HD12 ILE A 212 23.603 0.156 38.465 1.00 15.43 H new ATOM 0 HD13 ILE A 212 22.385 0.329 37.467 1.00 15.43 H new ATOM 1690 N VAL A 213 26.315 0.399 32.987 1.00 14.14 N ATOM 1691 CA VAL A 213 27.113 1.329 32.196 1.00 12.49 C ATOM 1692 C VAL A 213 26.961 2.715 32.805 1.00 12.74 C ATOM 1693 O VAL A 213 25.875 3.288 32.773 1.00 15.28 O ATOM 1694 CB VAL A 213 26.659 1.340 30.723 1.00 13.98 C ATOM 1695 CG1 VAL A 213 27.568 2.242 29.902 1.00 13.16 C ATOM 1696 CG2 VAL A 213 26.671 -0.071 30.159 1.00 8.41 C ATOM 0 H VAL A 213 25.737 -0.043 32.529 1.00 14.14 H new ATOM 0 HA VAL A 213 28.043 1.052 32.209 1.00 12.49 H new ATOM 0 HB VAL A 213 25.753 1.685 30.678 1.00 13.98 H new ATOM 0 HG11 VAL A 213 27.275 2.242 28.977 1.00 13.16 H new ATOM 0 HG12 VAL A 213 27.530 3.145 30.253 1.00 13.16 H new ATOM 0 HG13 VAL A 213 28.480 1.914 29.951 1.00 13.16 H new ATOM 0 HG21 VAL A 213 26.384 -0.052 29.233 1.00 8.41 H new ATOM 0 HG22 VAL A 213 27.569 -0.433 30.211 1.00 8.41 H new ATOM 0 HG23 VAL A 213 26.067 -0.630 30.673 1.00 8.41 H new ATOM 1697 N SER A 214 28.051 3.235 33.368 1.00 12.30 N ATOM 1698 CA SER A 214 28.042 4.536 34.032 1.00 13.00 C ATOM 1699 C SER A 214 28.806 5.651 33.310 1.00 13.28 C ATOM 1700 O SER A 214 28.199 6.617 32.840 1.00 11.92 O ATOM 1701 CB SER A 214 28.569 4.386 35.465 1.00 12.33 C ATOM 1702 OG SER A 214 28.447 5.591 36.204 1.00 7.92 O ATOM 0 H SER A 214 28.816 2.843 33.375 1.00 12.30 H new ATOM 0 HA SER A 214 27.115 4.821 34.023 1.00 13.00 H new ATOM 0 HB2 SER A 214 28.081 3.680 35.916 1.00 12.33 H new ATOM 0 HB3 SER A 214 29.500 4.116 35.440 1.00 12.33 H new ATOM 0 HG SER A 214 27.699 5.941 36.048 1.00 7.92 H new ATOM 1703 N TRP A 215 30.128 5.524 33.226 1.00 14.37 N ATOM 1704 CA TRP A 215 30.946 6.554 32.586 1.00 13.68 C ATOM 1705 C TRP A 215 32.218 6.046 31.910 1.00 16.11 C ATOM 1706 O TRP A 215 32.551 4.861 31.979 1.00 19.51 O ATOM 1707 CB TRP A 215 31.310 7.648 33.600 1.00 11.80 C ATOM 1708 CG TRP A 215 32.078 7.153 34.800 1.00 13.59 C ATOM 1709 CD1 TRP A 215 31.563 6.548 35.910 1.00 12.79 C ATOM 1710 CD2 TRP A 215 33.496 7.229 35.009 1.00 12.22 C ATOM 1711 NE1 TRP A 215 32.567 6.243 36.796 1.00 11.89 N ATOM 1712 CE2 TRP A 215 33.763 6.650 36.269 1.00 11.53 C ATOM 1713 CE3 TRP A 215 34.565 7.732 34.254 1.00 12.51 C ATOM 1714 CZ2 TRP A 215 35.058 6.559 36.794 1.00 11.47 C ATOM 1715 CZ3 TRP A 215 35.853 7.640 34.777 1.00 13.24 C ATOM 1716 CH2 TRP A 215 36.086 7.057 36.036 1.00 13.32 C ATOM 0 H TRP A 215 30.570 4.853 33.532 1.00 14.37 H new ATOM 0 HA TRP A 215 30.391 6.907 31.873 1.00 13.68 H new ATOM 0 HB2 TRP A 215 31.836 8.328 33.151 1.00 11.80 H new ATOM 0 HB3 TRP A 215 30.494 8.075 33.905 1.00 11.80 H new ATOM 0 HD1 TRP A 215 30.661 6.368 36.047 1.00 12.79 H new ATOM 0 HE1 TRP A 215 32.461 5.859 37.558 1.00 11.89 H new ATOM 0 HE3 TRP A 215 34.417 8.119 33.421 1.00 12.51 H new ATOM 0 HZ2 TRP A 215 35.215 6.175 37.626 1.00 11.47 H new ATOM 0 HZ3 TRP A 215 36.571 7.969 34.286 1.00 13.24 H new ATOM 0 HH2 TRP A 215 36.956 7.008 36.361 1.00 13.32 H new ATOM 1717 N GLY A 216 32.927 6.969 31.268 1.00 15.57 N ATOM 1718 CA GLY A 216 34.163 6.639 30.584 1.00 14.47 C ATOM 1719 C GLY A 216 34.685 7.801 29.758 1.00 17.65 C ATOM 1720 O GLY A 216 33.906 8.613 29.256 1.00 18.21 O ATOM 0 H GLY A 216 32.704 7.798 31.219 1.00 15.57 H new ATOM 0 HA2 GLY A 216 34.833 6.380 31.236 1.00 14.47 H new ATOM 0 HA3 GLY A 216 34.018 5.873 30.007 1.00 14.47 H new ATOM 1721 N ARG A 217 36.007 7.909 29.660 1.00 19.48 N ATOM 1722 CA ARG A 217 36.636 8.968 28.877 1.00 21.26 C ATOM 1723 C ARG A 217 36.540 8.609 27.397 1.00 21.25 C ATOM 1724 O ARG A 217 37.176 7.658 26.937 1.00 18.94 O ATOM 1725 CB ARG A 217 38.102 9.144 29.291 1.00 23.50 C ATOM 1726 CG ARG A 217 38.902 10.129 28.440 1.00 24.83 C ATOM 1727 CD ARG A 217 38.212 11.482 28.311 1.00 26.72 C ATOM 1728 NE ARG A 217 38.339 12.030 26.962 1.00 32.88 N ATOM 1729 CZ ARG A 217 37.776 13.165 26.554 1.00 31.27 C ATOM 1730 NH1 ARG A 217 36.544 13.477 26.933 1.00 31.94 N ATOM 1731 NH2 ARG A 217 38.451 13.994 25.769 1.00 31.92 N ATOM 0 H ARG A 217 36.561 7.374 30.043 1.00 19.48 H new ATOM 0 HA ARG A 217 36.178 9.807 29.039 1.00 21.26 H new ATOM 0 HB2 ARG A 217 38.130 9.439 30.215 1.00 23.50 H new ATOM 0 HB3 ARG A 217 38.539 8.279 29.257 1.00 23.50 H new ATOM 0 HG2 ARG A 217 39.780 10.253 28.833 1.00 24.83 H new ATOM 0 HG3 ARG A 217 39.038 9.753 27.556 1.00 24.83 H new ATOM 0 HD2 ARG A 217 37.273 11.389 28.535 1.00 26.72 H new ATOM 0 HD3 ARG A 217 38.596 12.103 28.950 1.00 26.72 H new ATOM 0 HE ARG A 217 38.810 11.589 26.393 1.00 32.88 H new ATOM 0 HH11 ARG A 217 36.104 12.945 27.445 1.00 31.94 H new ATOM 0 HH12 ARG A 217 36.185 14.212 26.666 1.00 31.94 H new ATOM 0 HH21 ARG A 217 39.252 13.798 25.524 1.00 31.92 H new ATOM 0 HH22 ARG A 217 38.088 14.728 25.505 1.00 31.92 H new ATOM 1732 N GLY A 219 35.749 9.383 26.660 1.00 22.34 N ATOM 1733 CA GLY A 219 35.564 9.120 25.246 1.00 20.75 C ATOM 1734 C GLY A 219 34.895 7.775 25.041 1.00 21.44 C ATOM 1735 O GLY A 219 34.128 7.318 25.890 1.00 21.98 O ATOM 0 H GLY A 219 35.314 10.061 26.961 1.00 22.34 H new ATOM 0 HA2 GLY A 219 35.023 9.821 24.849 1.00 20.75 H new ATOM 0 HA3 GLY A 219 36.422 9.133 24.794 1.00 20.75 H new ATOM 1736 N CYS A 220 35.181 7.140 23.911 1.00 22.71 N ATOM 1737 CA CYS A 220 34.610 5.836 23.604 1.00 21.59 C ATOM 1738 C CYS A 220 35.638 4.984 22.871 1.00 23.63 C ATOM 1739 O CYS A 220 36.053 5.311 21.758 1.00 26.14 O ATOM 1740 CB CYS A 220 33.338 5.992 22.764 1.00 20.26 C ATOM 1741 SG CYS A 220 32.032 6.981 23.567 1.00 23.78 S ATOM 0 H CYS A 220 35.707 7.450 23.305 1.00 22.71 H new ATOM 0 HA CYS A 220 34.370 5.393 24.433 1.00 21.59 H new ATOM 0 HB2 CYS A 220 33.570 6.406 21.918 1.00 20.26 H new ATOM 0 HB3 CYS A 220 32.985 5.111 22.562 1.00 20.26 H new ATOM 1742 N ALA A 221 36.054 3.899 23.519 1.00 24.11 N ATOM 1743 CA ALA A 221 37.039 2.971 22.971 1.00 24.12 C ATOM 1744 C ALA A 221 38.433 3.579 22.798 1.00 23.99 C ATOM 1745 O ALA A 221 39.176 3.204 21.888 1.00 22.65 O ATOM 1746 CB ALA A 221 36.540 2.373 21.653 1.00 22.06 C ATOM 0 H ALA A 221 35.768 3.678 24.300 1.00 24.11 H new ATOM 0 HA ALA A 221 37.138 2.265 23.629 1.00 24.12 H new ATOM 0 HB1 ALA A 221 37.205 1.760 21.303 1.00 22.06 H new ATOM 0 HB2 ALA A 221 35.710 1.895 21.808 1.00 22.06 H new ATOM 0 HB3 ALA A 221 36.388 3.085 21.012 1.00 22.06 H new ATOM 1747 N LEU A 222 38.778 4.530 23.663 1.00 26.50 N ATOM 1748 CA LEU A 222 40.098 5.156 23.631 1.00 26.01 C ATOM 1749 C LEU A 222 41.060 4.231 24.346 1.00 25.62 C ATOM 1750 O LEU A 222 40.683 3.579 25.318 1.00 24.41 O ATOM 1751 CB LEU A 222 40.083 6.503 24.349 1.00 26.33 C ATOM 1752 CG LEU A 222 39.353 7.673 23.702 1.00 25.45 C ATOM 1753 CD1 LEU A 222 39.588 8.914 24.550 1.00 27.47 C ATOM 1754 CD2 LEU A 222 39.876 7.883 22.293 1.00 23.11 C ATOM 0 H LEU A 222 38.259 4.829 24.280 1.00 26.50 H new ATOM 0 HA LEU A 222 40.363 5.306 22.710 1.00 26.01 H new ATOM 0 HB2 LEU A 222 39.694 6.363 25.226 1.00 26.33 H new ATOM 0 HB3 LEU A 222 41.005 6.772 24.487 1.00 26.33 H new ATOM 0 HG LEU A 222 38.401 7.492 23.650 1.00 25.45 H new ATOM 0 HD11 LEU A 222 39.129 9.670 24.152 1.00 27.47 H new ATOM 0 HD12 LEU A 222 39.246 8.764 25.445 1.00 27.47 H new ATOM 0 HD13 LEU A 222 40.539 9.100 24.595 1.00 27.47 H new ATOM 0 HD21 LEU A 222 39.410 8.628 21.882 1.00 23.11 H new ATOM 0 HD22 LEU A 222 40.826 8.075 22.326 1.00 23.11 H new ATOM 0 HD23 LEU A 222 39.726 7.081 21.769 1.00 23.11 H new ATOM 1755 N LYS A 223 42.298 4.174 23.870 1.00 28.22 N ATOM 1756 CA LYS A 223 43.302 3.318 24.483 1.00 29.75 C ATOM 1757 C LYS A 223 43.509 3.726 25.940 1.00 30.34 C ATOM 1758 O LYS A 223 43.620 4.913 26.250 1.00 28.79 O ATOM 1759 CB LYS A 223 44.618 3.404 23.706 1.00 31.40 C ATOM 1760 CG LYS A 223 45.688 2.417 24.165 1.00 39.57 C ATOM 1761 CD LYS A 223 46.963 2.547 23.322 0.00 44.34 C ATOM 1762 CE LYS A 223 48.049 1.559 23.753 0.00 43.77 C ATOM 1763 NZ LYS A 223 49.289 1.706 22.942 0.00 44.17 N ATOM 0 H LYS A 223 42.576 4.624 23.192 1.00 28.22 H new ATOM 0 HA LYS A 223 42.994 2.398 24.458 1.00 29.75 H new ATOM 0 HB2 LYS A 223 44.436 3.252 22.765 1.00 31.40 H new ATOM 0 HB3 LYS A 223 44.969 4.305 23.785 1.00 31.40 H new ATOM 0 HG2 LYS A 223 45.898 2.575 25.099 1.00 39.57 H new ATOM 0 HG3 LYS A 223 45.345 1.512 24.100 1.00 39.57 H new ATOM 0 HD2 LYS A 223 46.747 2.399 22.388 0.00 44.34 H new ATOM 0 HD3 LYS A 223 47.305 3.452 23.394 0.00 44.34 H new ATOM 0 HE2 LYS A 223 48.258 1.697 24.690 0.00 43.77 H new ATOM 0 HE3 LYS A 223 47.713 0.653 23.668 0.00 43.77 H new ATOM 0 HZ1 LYS A 223 49.897 1.118 23.219 0.00 44.17 H new ATOM 0 HZ2 LYS A 223 49.103 1.558 22.085 0.00 44.17 H new ATOM 0 HZ3 LYS A 223 49.610 2.531 23.037 0.00 44.17 H new ATOM 1764 N ASP A 223A 43.480 2.734 26.829 1.00 31.32 N ATOM 1765 CA ASP A 223A 43.673 2.921 28.272 1.00 29.86 C ATOM 1766 C ASP A 223A 42.574 3.687 28.993 1.00 28.40 C ATOM 1767 O ASP A 223A 42.777 4.152 30.118 1.00 26.66 O ATOM 1768 CB ASP A 223A 45.030 3.567 28.569 1.00 32.78 C ATOM 1769 CG ASP A 223A 46.191 2.743 28.065 1.00 36.87 C ATOM 1770 OD1 ASP A 223A 46.152 1.499 28.197 1.00 39.51 O ATOM 1771 OD2 ASP A 223A 47.143 3.345 27.524 1.00 41.96 O ATOM 0 H ASP A 223A 43.345 1.914 26.607 1.00 31.32 H new ATOM 0 HA ASP A 223A 43.637 2.020 28.628 1.00 29.86 H new ATOM 0 HB2 ASP A 223A 45.061 4.447 28.161 1.00 32.78 H new ATOM 0 HB3 ASP A 223A 45.120 3.695 29.526 1.00 32.78 H new ATOM 1772 N LYS A 224 41.410 3.804 28.353 1.00 26.42 N ATOM 1773 CA LYS A 224 40.269 4.502 28.942 1.00 23.50 C ATOM 1774 C LYS A 224 39.063 3.564 28.998 1.00 22.35 C ATOM 1775 O LYS A 224 38.036 3.812 28.366 1.00 24.96 O ATOM 1776 CB LYS A 224 39.937 5.754 28.129 1.00 22.78 C ATOM 1777 CG LYS A 224 41.067 6.763 28.055 1.00 23.11 C ATOM 1778 CD LYS A 224 41.409 7.289 29.426 1.00 24.58 C ATOM 1779 CE LYS A 224 42.704 8.071 29.388 1.00 30.50 C ATOM 1780 NZ LYS A 224 43.231 8.311 30.763 1.00 24.78 N ATOM 0 H LYS A 224 41.261 3.482 27.569 1.00 26.42 H new ATOM 0 HA LYS A 224 40.495 4.776 29.845 1.00 23.50 H new ATOM 0 HB2 LYS A 224 39.695 5.488 27.228 1.00 22.78 H new ATOM 0 HB3 LYS A 224 39.158 6.183 28.517 1.00 22.78 H new ATOM 0 HG2 LYS A 224 41.850 6.349 27.659 1.00 23.11 H new ATOM 0 HG3 LYS A 224 40.811 7.499 27.477 1.00 23.11 H new ATOM 0 HD2 LYS A 224 40.692 7.857 29.748 1.00 24.58 H new ATOM 0 HD3 LYS A 224 41.489 6.551 30.050 1.00 24.58 H new ATOM 0 HE2 LYS A 224 43.363 7.586 28.867 1.00 30.50 H new ATOM 0 HE3 LYS A 224 42.559 8.920 28.942 1.00 30.50 H new ATOM 0 HZ1 LYS A 224 43.303 9.187 30.905 1.00 24.78 H new ATOM 0 HZ2 LYS A 224 42.673 7.959 31.361 1.00 24.78 H new ATOM 0 HZ3 LYS A 224 44.032 7.931 30.845 1.00 24.78 H new ATOM 1781 N PRO A 225 39.133 2.533 29.854 1.00 20.97 N ATOM 1782 CA PRO A 225 38.068 1.540 30.015 1.00 20.99 C ATOM 1783 C PRO A 225 36.714 2.139 30.376 1.00 22.39 C ATOM 1784 O PRO A 225 36.625 3.279 30.835 1.00 20.37 O ATOM 1785 CB PRO A 225 38.582 0.670 31.169 1.00 23.39 C ATOM 1786 CG PRO A 225 40.070 0.910 31.179 1.00 22.22 C ATOM 1787 CD PRO A 225 40.147 2.372 30.908 1.00 19.39 C ATOM 0 HA PRO A 225 37.904 1.065 29.185 1.00 20.99 H new ATOM 0 HB2 PRO A 225 38.176 0.924 32.013 1.00 23.39 H new ATOM 0 HB3 PRO A 225 38.375 -0.267 31.026 1.00 23.39 H new ATOM 0 HG2 PRO A 225 40.470 0.677 32.031 1.00 22.22 H new ATOM 0 HG3 PRO A 225 40.527 0.390 30.499 1.00 22.22 H new ATOM 0 HD2 PRO A 225 39.941 2.900 31.695 1.00 19.39 H new ATOM 0 HD3 PRO A 225 41.030 2.641 30.609 1.00 19.39 H new ATOM 1788 N GLY A 226 35.658 1.368 30.130 1.00 21.44 N ATOM 1789 CA GLY A 226 34.326 1.812 30.486 1.00 20.36 C ATOM 1790 C GLY A 226 34.163 1.532 31.969 1.00 21.23 C ATOM 1791 O GLY A 226 34.568 0.471 32.453 1.00 21.21 O ATOM 0 H GLY A 226 35.696 0.592 29.761 1.00 21.44 H new ATOM 0 HA2 GLY A 226 34.215 2.757 30.299 1.00 20.36 H new ATOM 0 HA3 GLY A 226 33.655 1.340 29.969 1.00 20.36 H new ATOM 1792 N VAL A 227 33.628 2.491 32.711 1.00 20.05 N ATOM 1793 CA VAL A 227 33.439 2.293 34.141 1.00 17.45 C ATOM 1794 C VAL A 227 32.002 1.920 34.416 1.00 18.28 C ATOM 1795 O VAL A 227 31.083 2.548 33.895 1.00 19.79 O ATOM 1796 CB VAL A 227 33.787 3.538 34.938 1.00 15.51 C ATOM 1797 CG1 VAL A 227 33.760 3.216 36.425 1.00 17.11 C ATOM 1798 CG2 VAL A 227 35.146 4.051 34.521 1.00 15.47 C ATOM 0 H VAL A 227 33.370 3.255 32.412 1.00 20.05 H new ATOM 0 HA VAL A 227 34.035 1.580 34.418 1.00 17.45 H new ATOM 0 HB VAL A 227 33.133 4.232 34.761 1.00 15.51 H new ATOM 0 HG11 VAL A 227 33.982 4.012 36.933 1.00 17.11 H new ATOM 0 HG12 VAL A 227 32.873 2.911 36.674 1.00 17.11 H new ATOM 0 HG13 VAL A 227 34.407 2.519 36.617 1.00 17.11 H new ATOM 0 HG21 VAL A 227 35.363 4.846 35.033 1.00 15.47 H new ATOM 0 HG22 VAL A 227 35.815 3.368 34.686 1.00 15.47 H new ATOM 0 HG23 VAL A 227 35.134 4.269 33.576 1.00 15.47 H new ATOM 1799 N TYR A 228 31.817 0.908 35.254 1.00 17.97 N ATOM 1800 CA TYR A 228 30.489 0.423 35.592 1.00 17.64 C ATOM 1801 C TYR A 228 30.200 0.461 37.086 1.00 19.13 C ATOM 1802 O TYR A 228 31.106 0.344 37.912 1.00 18.88 O ATOM 1803 CB TYR A 228 30.328 -1.001 35.066 1.00 17.67 C ATOM 1804 CG TYR A 228 30.497 -1.106 33.567 1.00 19.37 C ATOM 1805 CD1 TYR A 228 31.753 -0.978 32.976 1.00 17.25 C ATOM 1806 CD2 TYR A 228 29.396 -1.297 32.736 1.00 20.65 C ATOM 1807 CE1 TYR A 228 31.908 -1.032 31.598 1.00 19.96 C ATOM 1808 CE2 TYR A 228 29.540 -1.352 31.349 1.00 22.37 C ATOM 1809 CZ TYR A 228 30.800 -1.218 30.788 1.00 19.78 C ATOM 1810 OH TYR A 228 30.948 -1.263 29.425 1.00 16.26 O ATOM 0 H TYR A 228 32.457 0.484 35.642 1.00 17.97 H new ATOM 0 HA TYR A 228 29.848 1.018 35.173 1.00 17.64 H new ATOM 0 HB2 TYR A 228 30.979 -1.575 35.500 1.00 17.67 H new ATOM 0 HB3 TYR A 228 29.450 -1.332 35.310 1.00 17.67 H new ATOM 0 HD1 TYR A 228 32.501 -0.854 33.515 1.00 17.25 H new ATOM 0 HD2 TYR A 228 28.550 -1.389 33.112 1.00 20.65 H new ATOM 0 HE1 TYR A 228 32.753 -0.944 31.220 1.00 19.96 H new ATOM 0 HE2 TYR A 228 28.796 -1.478 30.805 1.00 22.37 H new ATOM 0 HH TYR A 228 31.706 -1.570 29.235 1.00 16.26 H new ATOM 1811 N THR A 229 28.934 0.659 37.431 1.00 18.67 N ATOM 1812 CA THR A 229 28.522 0.685 38.829 1.00 17.72 C ATOM 1813 C THR A 229 28.535 -0.769 39.308 1.00 20.37 C ATOM 1814 O THR A 229 27.880 -1.630 38.710 1.00 22.44 O ATOM 1815 CB THR A 229 27.106 1.259 38.968 1.00 16.37 C ATOM 1816 OG1 THR A 229 27.070 2.565 38.389 1.00 15.38 O ATOM 1817 CG2 THR A 229 26.704 1.357 40.424 1.00 15.82 C ATOM 0 H THR A 229 28.295 0.781 36.868 1.00 18.67 H new ATOM 0 HA THR A 229 29.117 1.244 39.352 1.00 17.72 H new ATOM 0 HB THR A 229 26.487 0.667 38.512 1.00 16.37 H new ATOM 0 HG1 THR A 229 26.296 2.882 38.461 1.00 15.38 H new ATOM 0 HG21 THR A 229 25.807 1.722 40.489 1.00 15.82 H new ATOM 0 HG22 THR A 229 26.723 0.474 40.825 1.00 15.82 H new ATOM 0 HG23 THR A 229 27.323 1.938 40.892 1.00 15.82 H new ATOM 1818 N ARG A 230 29.303 -1.042 40.362 1.00 19.70 N ATOM 1819 CA ARG A 230 29.425 -2.395 40.896 1.00 20.78 C ATOM 1820 C ARG A 230 28.158 -2.808 41.628 1.00 22.59 C ATOM 1821 O ARG A 230 28.008 -2.582 42.833 1.00 25.58 O ATOM 1822 CB ARG A 230 30.653 -2.491 41.809 1.00 22.84 C ATOM 1823 CG ARG A 230 31.160 -3.910 42.067 1.00 22.78 C ATOM 1824 CD ARG A 230 32.511 -3.875 42.768 1.00 21.83 C ATOM 1825 NE ARG A 230 33.138 -5.191 42.852 1.00 22.26 N ATOM 1826 CZ ARG A 230 34.393 -5.399 43.241 1.00 22.23 C ATOM 1827 NH1 ARG A 230 35.165 -4.376 43.586 1.00 22.29 N ATOM 1828 NH2 ARG A 230 34.879 -6.631 43.284 1.00 22.30 N ATOM 0 H ARG A 230 29.764 -0.452 40.784 1.00 19.70 H new ATOM 0 HA ARG A 230 29.546 -3.011 40.157 1.00 20.78 H new ATOM 0 HB2 ARG A 230 31.372 -1.972 41.416 1.00 22.84 H new ATOM 0 HB3 ARG A 230 30.438 -2.079 42.661 1.00 22.84 H new ATOM 0 HG2 ARG A 230 30.520 -4.394 42.612 1.00 22.78 H new ATOM 0 HG3 ARG A 230 31.238 -4.389 41.227 1.00 22.78 H new ATOM 0 HD2 ARG A 230 33.102 -3.269 42.293 1.00 21.83 H new ATOM 0 HD3 ARG A 230 32.398 -3.517 43.663 1.00 21.83 H new ATOM 0 HE ARG A 230 32.665 -5.876 42.636 1.00 22.26 H new ATOM 0 HH11 ARG A 230 34.854 -3.575 43.559 1.00 22.29 H new ATOM 0 HH12 ARG A 230 35.976 -4.515 43.837 1.00 22.29 H new ATOM 0 HH21 ARG A 230 34.383 -7.297 43.060 1.00 22.30 H new ATOM 0 HH22 ARG A 230 35.690 -6.765 43.536 1.00 22.30 H new ATOM 1829 N VAL A 231 27.247 -3.421 40.880 1.00 22.06 N ATOM 1830 CA VAL A 231 25.961 -3.871 41.403 1.00 21.99 C ATOM 1831 C VAL A 231 26.073 -4.698 42.693 1.00 22.94 C ATOM 1832 O VAL A 231 25.192 -4.631 43.539 1.00 24.73 O ATOM 1833 CB VAL A 231 25.184 -4.657 40.302 1.00 19.00 C ATOM 1834 CG1 VAL A 231 23.847 -5.140 40.806 1.00 18.77 C ATOM 1835 CG2 VAL A 231 24.980 -3.777 39.093 1.00 17.83 C ATOM 0 H VAL A 231 27.359 -3.590 40.044 1.00 22.06 H new ATOM 0 HA VAL A 231 25.465 -3.074 41.647 1.00 21.99 H new ATOM 0 HB VAL A 231 25.714 -5.433 40.060 1.00 19.00 H new ATOM 0 HG11 VAL A 231 23.390 -5.623 40.100 1.00 18.77 H new ATOM 0 HG12 VAL A 231 23.981 -5.728 41.566 1.00 18.77 H new ATOM 0 HG13 VAL A 231 23.309 -4.380 41.077 1.00 18.77 H new ATOM 0 HG21 VAL A 231 24.497 -4.270 38.412 1.00 17.83 H new ATOM 0 HG22 VAL A 231 24.470 -2.992 39.346 1.00 17.83 H new ATOM 0 HG23 VAL A 231 25.842 -3.503 38.743 1.00 17.83 H new ATOM 1836 N SER A 232 27.181 -5.417 42.869 1.00 26.38 N ATOM 1837 CA SER A 232 27.381 -6.255 44.059 1.00 27.86 C ATOM 1838 C SER A 232 27.606 -5.491 45.358 1.00 30.58 C ATOM 1839 O SER A 232 27.602 -6.090 46.435 1.00 31.82 O ATOM 1840 CB SER A 232 28.538 -7.238 43.859 1.00 25.88 C ATOM 1841 OG SER A 232 29.786 -6.569 43.859 1.00 22.84 O ATOM 0 H SER A 232 27.834 -5.435 42.310 1.00 26.38 H new ATOM 0 HA SER A 232 26.539 -6.727 44.156 1.00 27.86 H new ATOM 0 HB2 SER A 232 28.525 -7.904 44.564 1.00 25.88 H new ATOM 0 HB3 SER A 232 28.422 -7.711 43.020 1.00 25.88 H new ATOM 0 HG SER A 232 30.407 -7.134 43.883 1.00 22.84 H new ATOM 1842 N HIS A 233 27.861 -4.190 45.261 1.00 30.35 N ATOM 1843 CA HIS A 233 28.070 -3.385 46.462 1.00 30.37 C ATOM 1844 C HIS A 233 26.849 -2.541 46.763 1.00 29.61 C ATOM 1845 O HIS A 233 26.860 -1.751 47.707 1.00 30.00 O ATOM 1846 CB HIS A 233 29.294 -2.476 46.328 1.00 31.78 C ATOM 1847 CG HIS A 233 30.600 -3.206 46.398 1.00 38.05 C ATOM 1848 ND1 HIS A 233 30.848 -4.364 45.690 1.00 39.76 N ATOM 1849 CD2 HIS A 233 31.733 -2.939 47.091 1.00 39.60 C ATOM 1850 CE1 HIS A 233 32.077 -4.778 45.945 1.00 41.37 C ATOM 1851 NE2 HIS A 233 32.635 -3.931 46.791 1.00 40.96 N ATOM 0 H HIS A 233 27.917 -3.758 44.520 1.00 30.35 H new ATOM 0 HA HIS A 233 28.224 -4.003 47.194 1.00 30.37 H new ATOM 0 HB2 HIS A 233 29.243 -2.002 45.483 1.00 31.78 H new ATOM 0 HB3 HIS A 233 29.269 -1.808 47.031 1.00 31.78 H new ATOM 0 HD1 HIS A 233 30.290 -4.755 45.165 1.00 39.76 H new ATOM 0 HD2 HIS A 233 31.874 -2.219 47.663 1.00 39.60 H new ATOM 0 HE1 HIS A 233 32.480 -5.537 45.589 1.00 41.37 H new ATOM 1852 N PHE A 234 25.799 -2.702 45.962 1.00 25.49 N ATOM 1853 CA PHE A 234 24.583 -1.930 46.169 1.00 24.35 C ATOM 1854 C PHE A 234 23.368 -2.781 46.534 1.00 24.42 C ATOM 1855 O PHE A 234 22.247 -2.271 46.620 1.00 23.92 O ATOM 1856 CB PHE A 234 24.289 -1.049 44.952 1.00 22.67 C ATOM 1857 CG PHE A 234 25.227 0.120 44.808 1.00 21.05 C ATOM 1858 CD1 PHE A 234 26.382 0.017 44.026 1.00 20.86 C ATOM 1859 CD2 PHE A 234 24.963 1.325 45.456 1.00 18.76 C ATOM 1860 CE1 PHE A 234 27.255 1.094 43.896 1.00 13.93 C ATOM 1861 CE2 PHE A 234 25.835 2.413 45.330 1.00 15.39 C ATOM 1862 CZ PHE A 234 26.979 2.294 44.550 1.00 14.40 C ATOM 0 H PHE A 234 25.772 -3.249 45.299 1.00 25.49 H new ATOM 0 HA PHE A 234 24.750 -1.365 46.939 1.00 24.35 H new ATOM 0 HB2 PHE A 234 24.338 -1.593 44.150 1.00 22.67 H new ATOM 0 HB3 PHE A 234 23.380 -0.717 45.015 1.00 22.67 H new ATOM 0 HD1 PHE A 234 26.569 -0.781 43.587 1.00 20.86 H new ATOM 0 HD2 PHE A 234 24.198 1.408 45.979 1.00 18.76 H new ATOM 0 HE1 PHE A 234 28.020 1.013 43.374 1.00 13.93 H new ATOM 0 HE2 PHE A 234 25.649 3.213 45.767 1.00 15.39 H new ATOM 0 HZ PHE A 234 27.560 3.015 44.464 1.00 14.40 H new ATOM 1863 N LEU A 235 23.609 -4.056 46.825 1.00 23.90 N ATOM 1864 CA LEU A 235 22.537 -4.979 47.192 1.00 23.39 C ATOM 1865 C LEU A 235 21.643 -4.477 48.325 1.00 25.24 C ATOM 1866 O LEU A 235 20.416 -4.520 48.205 1.00 24.94 O ATOM 1867 CB LEU A 235 23.099 -6.361 47.542 1.00 20.80 C ATOM 1868 CG LEU A 235 23.808 -7.116 46.417 1.00 24.35 C ATOM 1869 CD1 LEU A 235 24.185 -8.492 46.905 1.00 26.52 C ATOM 1870 CD2 LEU A 235 22.902 -7.233 45.201 1.00 25.30 C ATOM 0 H LEU A 235 24.393 -4.409 46.816 1.00 23.90 H new ATOM 0 HA LEU A 235 21.973 -5.043 46.405 1.00 23.39 H new ATOM 0 HB2 LEU A 235 23.723 -6.257 48.278 1.00 20.80 H new ATOM 0 HB3 LEU A 235 22.369 -6.913 47.864 1.00 20.80 H new ATOM 0 HG LEU A 235 24.606 -6.627 46.161 1.00 24.35 H new ATOM 0 HD11 LEU A 235 24.635 -8.975 46.195 1.00 26.52 H new ATOM 0 HD12 LEU A 235 24.778 -8.414 47.669 1.00 26.52 H new ATOM 0 HD13 LEU A 235 23.384 -8.974 47.166 1.00 26.52 H new ATOM 0 HD21 LEU A 235 23.365 -7.714 44.497 1.00 25.30 H new ATOM 0 HD22 LEU A 235 22.095 -7.714 45.443 1.00 25.30 H new ATOM 0 HD23 LEU A 235 22.667 -6.346 44.886 1.00 25.30 H new ATOM 1871 N PRO A 236 22.240 -3.974 49.431 1.00 26.52 N ATOM 1872 CA PRO A 236 21.435 -3.477 50.554 1.00 26.17 C ATOM 1873 C PRO A 236 20.517 -2.367 50.098 1.00 24.42 C ATOM 1874 O PRO A 236 19.314 -2.410 50.341 1.00 25.18 O ATOM 1875 CB PRO A 236 22.490 -2.961 51.531 1.00 26.58 C ATOM 1876 CG PRO A 236 23.661 -3.870 51.260 1.00 29.39 C ATOM 1877 CD PRO A 236 23.676 -3.881 49.752 1.00 28.31 C ATOM 0 HA PRO A 236 20.856 -4.150 50.946 1.00 26.17 H new ATOM 0 HB2 PRO A 236 22.710 -2.031 51.366 1.00 26.58 H new ATOM 0 HB3 PRO A 236 22.190 -3.023 52.451 1.00 26.58 H new ATOM 0 HG2 PRO A 236 24.487 -3.524 51.632 1.00 29.39 H new ATOM 0 HG3 PRO A 236 23.531 -4.756 51.632 1.00 29.39 H new ATOM 0 HD2 PRO A 236 24.078 -3.077 49.387 1.00 28.31 H new ATOM 0 HD3 PRO A 236 24.176 -4.634 49.399 1.00 28.31 H new ATOM 1878 N TRP A 237 21.096 -1.396 49.399 1.00 24.77 N ATOM 1879 CA TRP A 237 20.346 -0.267 48.868 1.00 22.62 C ATOM 1880 C TRP A 237 19.247 -0.788 47.942 1.00 23.63 C ATOM 1881 O TRP A 237 18.096 -0.353 48.023 1.00 21.62 O ATOM 1882 CB TRP A 237 21.286 0.661 48.096 1.00 21.21 C ATOM 1883 CG TRP A 237 20.615 1.892 47.599 1.00 26.32 C ATOM 1884 CD1 TRP A 237 20.404 3.043 48.297 1.00 30.35 C ATOM 1885 CD2 TRP A 237 20.015 2.089 46.311 1.00 26.67 C ATOM 1886 NE1 TRP A 237 19.700 3.942 47.531 1.00 32.11 N ATOM 1887 CE2 TRP A 237 19.449 3.381 46.306 1.00 27.24 C ATOM 1888 CE3 TRP A 237 19.901 1.297 45.161 1.00 26.37 C ATOM 1889 CZ2 TRP A 237 18.777 3.901 45.201 1.00 27.59 C ATOM 1890 CZ3 TRP A 237 19.232 1.815 44.056 1.00 27.51 C ATOM 1891 CH2 TRP A 237 18.679 3.105 44.086 1.00 29.87 C ATOM 0 H TRP A 237 21.937 -1.375 49.220 1.00 24.77 H new ATOM 0 HA TRP A 237 19.945 0.231 49.597 1.00 22.62 H new ATOM 0 HB2 TRP A 237 22.026 0.912 48.670 1.00 21.21 H new ATOM 0 HB3 TRP A 237 21.662 0.178 47.343 1.00 21.21 H new ATOM 0 HD1 TRP A 237 20.694 3.198 49.167 1.00 30.35 H new ATOM 0 HE1 TRP A 237 19.457 4.728 47.780 1.00 32.11 H new ATOM 0 HE3 TRP A 237 20.265 0.442 45.136 1.00 26.37 H new ATOM 0 HZ2 TRP A 237 18.409 4.755 45.218 1.00 27.59 H new ATOM 0 HZ3 TRP A 237 19.150 1.299 43.287 1.00 27.51 H new ATOM 0 HH2 TRP A 237 18.237 3.428 43.334 1.00 29.87 H new ATOM 1892 N ILE A 238 19.604 -1.757 47.097 1.00 23.05 N ATOM 1893 CA ILE A 238 18.661 -2.347 46.152 1.00 25.51 C ATOM 1894 C ILE A 238 17.515 -3.029 46.871 1.00 27.41 C ATOM 1895 O ILE A 238 16.361 -2.865 46.492 1.00 29.26 O ATOM 1896 CB ILE A 238 19.355 -3.368 45.204 1.00 25.78 C ATOM 1897 CG1 ILE A 238 20.264 -2.633 44.213 1.00 23.91 C ATOM 1898 CG2 ILE A 238 18.320 -4.207 44.455 1.00 20.67 C ATOM 1899 CD1 ILE A 238 21.219 -3.544 43.474 1.00 25.76 C ATOM 0 H ILE A 238 20.397 -2.088 47.057 1.00 23.05 H new ATOM 0 HA ILE A 238 18.312 -1.616 45.618 1.00 25.51 H new ATOM 0 HB ILE A 238 19.896 -3.967 45.743 1.00 25.78 H new ATOM 0 HG12 ILE A 238 19.713 -2.163 43.568 1.00 23.91 H new ATOM 0 HG13 ILE A 238 20.775 -1.962 44.692 1.00 23.91 H new ATOM 0 HG21 ILE A 238 18.773 -4.835 43.871 1.00 20.67 H new ATOM 0 HG22 ILE A 238 17.775 -4.694 45.093 1.00 20.67 H new ATOM 0 HG23 ILE A 238 17.753 -3.625 43.925 1.00 20.67 H new ATOM 0 HD11 ILE A 238 21.762 -3.019 42.866 1.00 25.76 H new ATOM 0 HD12 ILE A 238 21.793 -3.997 44.111 1.00 25.76 H new ATOM 0 HD13 ILE A 238 20.715 -4.202 42.970 1.00 25.76 H new ATOM 1900 N ARG A 239 17.832 -3.770 47.925 1.00 31.55 N ATOM 1901 CA ARG A 239 16.805 -4.479 48.676 1.00 34.15 C ATOM 1902 C ARG A 239 15.895 -3.582 49.504 1.00 33.23 C ATOM 1903 O ARG A 239 14.678 -3.751 49.477 1.00 35.61 O ATOM 1904 CB ARG A 239 17.423 -5.582 49.532 1.00 37.57 C ATOM 1905 CG ARG A 239 18.021 -6.721 48.709 1.00 40.55 C ATOM 1906 CD ARG A 239 18.522 -7.855 49.597 1.00 43.90 C ATOM 1907 NE ARG A 239 19.025 -8.976 48.806 0.00 43.48 N ATOM 1908 CZ ARG A 239 19.603 -10.059 49.318 0.00 43.96 C ATOM 1909 NH1 ARG A 239 19.760 -10.178 50.630 0.00 44.04 N ATOM 1910 NH2 ARG A 239 20.021 -11.028 48.515 0.00 44.04 N ATOM 0 H ARG A 239 18.633 -3.875 48.221 1.00 31.55 H new ATOM 0 HA ARG A 239 16.225 -4.879 48.009 1.00 34.15 H new ATOM 0 HB2 ARG A 239 18.115 -5.198 50.093 1.00 37.57 H new ATOM 0 HB3 ARG A 239 16.745 -5.941 50.125 1.00 37.57 H new ATOM 0 HG2 ARG A 239 17.353 -7.062 48.094 1.00 40.55 H new ATOM 0 HG3 ARG A 239 18.754 -6.382 48.172 1.00 40.55 H new ATOM 0 HD2 ARG A 239 19.226 -7.526 50.177 1.00 43.90 H new ATOM 0 HD3 ARG A 239 17.802 -8.160 50.170 1.00 43.90 H new ATOM 0 HE ARG A 239 18.942 -8.933 47.951 0.00 43.48 H new ATOM 0 HH11 ARG A 239 19.487 -9.553 51.154 0.00 44.04 H new ATOM 0 HH12 ARG A 239 20.134 -10.880 50.956 0.00 44.04 H new ATOM 0 HH21 ARG A 239 19.918 -10.956 47.664 0.00 44.04 H new ATOM 0 HH22 ARG A 239 20.395 -11.729 48.845 0.00 44.04 H new ATOM 1911 N SER A 240 16.465 -2.600 50.194 1.00 32.87 N ATOM 1912 CA SER A 240 15.661 -1.692 51.013 1.00 35.23 C ATOM 1913 C SER A 240 14.672 -0.857 50.200 1.00 38.69 C ATOM 1914 O SER A 240 13.574 -0.556 50.670 1.00 39.19 O ATOM 1915 CB SER A 240 16.551 -0.768 51.845 1.00 32.29 C ATOM 1916 OG SER A 240 17.373 0.036 51.029 1.00 29.18 O ATOM 0 H SER A 240 17.310 -2.441 50.203 1.00 32.87 H new ATOM 0 HA SER A 240 15.141 -2.261 51.601 1.00 35.23 H new ATOM 0 HB2 SER A 240 15.997 -0.202 52.405 1.00 32.29 H new ATOM 0 HB3 SER A 240 17.104 -1.299 52.439 1.00 32.29 H new ATOM 0 HG SER A 240 17.340 -0.242 50.237 1.00 29.18 H new ATOM 1917 N HIS A 241 15.057 -0.503 48.975 1.00 41.94 N ATOM 1918 CA HIS A 241 14.201 0.297 48.104 1.00 43.27 C ATOM 1919 C HIS A 241 13.215 -0.503 47.253 1.00 44.64 C ATOM 1920 O HIS A 241 12.329 0.077 46.630 1.00 45.15 O ATOM 1921 CB HIS A 241 15.041 1.214 47.217 1.00 41.29 C ATOM 1922 CG HIS A 241 15.818 2.242 47.978 1.00 38.69 C ATOM 1923 ND1 HIS A 241 15.367 3.530 48.161 1.00 37.45 N ATOM 1924 CD2 HIS A 241 17.025 2.176 48.589 1.00 37.38 C ATOM 1925 CE1 HIS A 241 16.264 4.214 48.849 1.00 37.92 C ATOM 1926 NE2 HIS A 241 17.279 3.415 49.122 1.00 36.52 N ATOM 0 H HIS A 241 15.814 -0.718 48.629 1.00 41.94 H new ATOM 0 HA HIS A 241 13.653 0.823 48.707 1.00 43.27 H new ATOM 0 HB2 HIS A 241 15.657 0.673 46.698 1.00 41.29 H new ATOM 0 HB3 HIS A 241 14.457 1.663 46.586 1.00 41.29 H new ATOM 0 HD2 HIS A 241 17.578 1.430 48.638 1.00 37.38 H new ATOM 0 HE1 HIS A 241 16.193 5.107 49.099 1.00 37.92 H new ATOM 0 HE2 HIS A 241 17.984 3.635 49.562 1.00 36.52 H new ATOM 1927 N THR A 242 13.366 -1.823 47.210 1.00 47.12 N ATOM 1928 CA THR A 242 12.434 -2.643 46.437 1.00 52.13 C ATOM 1929 C THR A 242 11.354 -3.268 47.311 1.00 56.31 C ATOM 1930 O THR A 242 10.304 -3.661 46.807 1.00 57.82 O ATOM 1931 CB THR A 242 13.136 -3.765 45.642 1.00 50.15 C ATOM 1932 OG1 THR A 242 13.981 -4.524 46.514 1.00 47.00 O ATOM 1933 CG2 THR A 242 13.947 -3.184 44.492 1.00 49.31 C ATOM 0 H THR A 242 13.989 -2.259 47.613 1.00 47.12 H new ATOM 0 HA THR A 242 12.025 -2.027 45.809 1.00 52.13 H new ATOM 0 HB THR A 242 12.459 -4.351 45.269 1.00 50.15 H new ATOM 0 HG1 THR A 242 14.737 -4.160 46.559 1.00 47.00 H new ATOM 0 HG21 THR A 242 14.380 -3.903 44.005 1.00 49.31 H new ATOM 0 HG22 THR A 242 13.358 -2.698 43.894 1.00 49.31 H new ATOM 0 HG23 THR A 242 14.620 -2.581 44.843 1.00 49.31 H new ATOM 1934 N LYS A 243 11.612 -3.352 48.617 1.00 62.11 N ATOM 1935 CA LYS A 243 10.658 -3.935 49.561 1.00 65.98 C ATOM 1936 C LYS A 243 9.322 -3.194 49.579 1.00 69.11 C ATOM 1937 O LYS A 243 8.312 -3.728 49.107 1.00 71.20 O ATOM 1938 CB LYS A 243 11.264 -4.013 50.966 0.00 66.66 C ATOM 1939 CG LYS A 243 12.369 -5.052 51.078 0.00 67.53 C ATOM 1940 CD LYS A 243 12.973 -5.113 52.468 0.00 68.25 C ATOM 1941 CE LYS A 243 14.069 -6.167 52.525 0.00 68.70 C ATOM 1942 NZ LYS A 243 14.703 -6.259 53.866 0.00 69.08 N ATOM 0 H LYS A 243 12.341 -3.074 48.979 1.00 62.11 H new ATOM 0 HA LYS A 243 10.471 -4.836 49.254 1.00 65.98 H new ATOM 0 HB2 LYS A 243 11.618 -3.143 51.209 0.00 66.66 H new ATOM 0 HB3 LYS A 243 10.564 -4.222 51.604 0.00 66.66 H new ATOM 0 HG2 LYS A 243 12.013 -5.924 50.845 0.00 67.53 H new ATOM 0 HG3 LYS A 243 13.066 -4.849 50.435 0.00 67.53 H new ATOM 0 HD2 LYS A 243 13.337 -4.246 52.707 0.00 68.25 H new ATOM 0 HD3 LYS A 243 12.283 -5.320 53.118 0.00 68.25 H new ATOM 0 HE2 LYS A 243 13.696 -7.030 52.287 0.00 68.70 H new ATOM 0 HE3 LYS A 243 14.748 -5.960 51.864 0.00 68.70 H new ATOM 0 HZ1 LYS A 243 15.335 -6.885 53.853 0.00 69.08 H new ATOM 0 HZ2 LYS A 243 15.067 -5.475 54.077 0.00 69.08 H new ATOM 0 HZ3 LYS A 243 14.087 -6.472 54.472 0.00 69.08 H new ATOM 1943 N GLU A 244 9.319 -1.968 50.100 1.00 70.22 N ATOM 1944 CA GLU A 244 8.104 -1.153 50.154 1.00 71.71 C ATOM 1945 C GLU A 244 8.375 0.203 50.800 0.00 72.63 C ATOM 1946 O GLU A 244 8.576 0.251 52.033 0.00 72.60 O ATOM 1947 CB GLU A 244 6.983 -1.888 50.901 0.00 72.61 C ATOM 1948 CG GLU A 244 5.609 -1.254 50.738 0.00 73.74 C ATOM 1949 CD GLU A 244 4.486 -2.164 51.198 0.00 74.32 C ATOM 1950 OE1 GLU A 244 4.257 -2.261 52.422 0.00 74.67 O ATOM 1951 OE2 GLU A 244 3.832 -2.784 50.332 0.00 74.67 O ATOM 0 H GLU A 244 10.016 -1.587 50.430 1.00 70.22 H new ATOM 0 HA GLU A 244 7.814 -0.999 49.241 1.00 71.71 H new ATOM 0 HB2 GLU A 244 6.945 -2.805 50.587 0.00 72.61 H new ATOM 0 HB3 GLU A 244 7.204 -1.921 51.845 0.00 72.61 H new ATOM 0 HG2 GLU A 244 5.577 -0.426 51.243 0.00 73.74 H new ATOM 0 HG3 GLU A 244 5.472 -1.023 49.806 0.00 73.74 H new TER 1952 GLU A 244 HETATM 1953 S SO4 A 401 32.366 6.292 45.925 1.00 45.67 S HETATM 1954 O1 SO4 A 401 32.970 5.037 46.418 1.00 44.59 O HETATM 1955 O2 SO4 A 401 33.362 7.373 45.997 1.00 43.92 O HETATM 1956 O3 SO4 A 401 31.942 6.129 44.521 1.00 41.36 O HETATM 1957 O4 SO4 A 401 31.206 6.637 46.780 1.00 44.94 O HETATM 1958 S SO4 A 402 24.729 8.965 28.188 1.00 45.40 S HETATM 1959 O1 SO4 A 402 25.217 7.587 27.992 1.00 43.29 O HETATM 1960 O2 SO4 A 402 24.470 9.222 29.618 1.00 42.63 O HETATM 1961 O3 SO4 A 402 25.741 9.916 27.699 1.00 47.16 O HETATM 1962 O4 SO4 A 402 23.484 9.152 27.418 1.00 45.88 O HETATM 1963 N UKP A 300 31.659 9.996 27.990 1.00 48.18 N HETATM 1964 CA UKP A 300 30.207 9.932 28.007 1.00 45.41 C HETATM 1965 CX UKP A 300 32.628 4.232 27.764 1.00 28.57 C HETATM 1966 O UKP A 300 30.399 9.098 30.177 1.00 44.19 O HETATM 1967 CB UKP A 300 29.754 8.756 27.109 1.00 42.38 C HETATM 1968 CG1 UKP A 300 30.148 7.090 27.778 1.00 36.52 C HETATM 1969 CD1 UKP A 300 31.282 6.316 27.473 1.00 35.77 C HETATM 1970 CE1 UKP A 300 31.495 5.029 28.062 1.00 32.72 C HETATM 1971 CZ UKP A 300 30.489 4.581 28.977 1.00 34.09 C HETATM 1972 CE2 UKP A 300 29.358 5.359 29.278 1.00 34.39 C HETATM 1973 CD2 UKP A 300 29.197 6.599 28.678 1.00 33.28 C HETATM 1974 NX1 UKP A 300 32.590 2.990 27.794 1.00 24.40 N HETATM 1975 NX2 UKP A 300 33.807 4.663 27.420 1.00 23.32 N HETATM 1976 C UKP A 300 29.684 9.780 29.437 1.00 46.73 C HETATM 1977 C6 UKP A 300 31.590 12.637 28.080 1.00 52.92 C HETATM 1978 C7 UKP A 300 31.750 12.813 29.482 1.00 52.81 C HETATM 1979 C8 UKP A 300 31.093 13.877 30.131 1.00 51.86 C HETATM 1980 C9 UKP A 300 30.275 14.777 29.433 1.00 52.77 C HETATM 1981 C10 UKP A 300 30.124 14.595 28.048 1.00 51.78 C HETATM 1982 C11 UKP A 300 30.761 13.546 27.351 1.00 52.63 C HETATM 1983 C12 UKP A 300 32.630 11.878 30.360 1.00 53.12 C HETATM 1984 C13 UKP A 300 32.008 11.398 31.711 1.00 54.93 C HETATM 1985 C14 UKP A 300 33.970 12.597 30.648 1.00 53.89 C HETATM 1986 C15 UKP A 300 30.499 13.463 25.813 1.00 52.75 C HETATM 1987 C16 UKP A 300 29.299 14.309 25.288 1.00 52.64 C HETATM 1988 C17 UKP A 300 31.796 13.874 25.061 1.00 50.94 C HETATM 1989 C18 UKP A 300 29.563 15.934 30.164 1.00 52.11 C HETATM 1990 C19 UKP A 300 30.499 16.552 31.236 1.00 52.12 C HETATM 1991 C20 UKP A 300 28.244 15.427 30.815 1.00 52.12 C HETATM 1992 S UKP A 300 32.454 11.236 27.280 1.00 52.65 S HETATM 1993 OS1 UKP A 300 33.846 11.191 27.699 1.00 51.93 O HETATM 1994 OS2 UKP A 300 32.222 11.140 25.853 1.00 53.83 O HETATM 1995 N1 UKP A 300 28.506 10.352 29.897 1.00 47.83 N HETATM 1996 C1 UKP A 300 28.102 10.131 31.292 1.00 48.16 C HETATM 1997 C2 UKP A 300 27.885 11.542 31.880 1.00 46.34 C HETATM 1998 N2 UKP A 300 26.697 12.114 31.238 1.00 47.22 N HETATM 1999 C4 UKP A 300 26.993 12.182 29.722 1.00 47.81 C HETATM 2000 C5 UKP A 300 27.305 10.974 29.081 1.00 48.16 C HETATM 2001 C21 UKP A 300 25.831 12.919 31.934 1.00 47.87 C HETATM 2002 O1 UKP A 300 25.031 13.661 31.374 1.00 49.35 O HETATM 2003 C22 UKP A 300 25.787 12.963 33.455 1.00 47.54 C HETATM 2004 C23 UKP A 300 24.745 13.991 33.994 1.00 47.69 C HETATM 2005 N24 UKP A 300 25.005 14.321 35.417 1.00 47.64 N HETATM 0 HX12 UKP A 300 33.295 2.534 27.608 1.00 24.40 H new HETATM 0 HX11 UKP A 300 31.859 2.587 28.001 1.00 24.40 H new HETATM 0 HE21 UKP A 300 28.693 5.030 29.903 1.00 34.39 H new HETATM 0 HD21 UKP A 300 28.414 7.133 28.885 1.00 33.28 H new HETATM 0 HD11 UKP A 300 31.937 6.663 26.847 1.00 35.77 H new HETATM 0 HCB2 UKP A 300 28.796 8.819 26.972 1.00 42.38 H new HETATM 0 HCB1 UKP A 300 30.171 8.849 26.238 1.00 42.38 H new HETATM 0 H242 UKP A 300 24.496 14.879 35.829 1.00 47.64 H new HETATM 0 H241 UKP A 300 25.664 13.954 35.830 1.00 47.64 H new HETATM 0 H232 UKP A 300 24.779 14.800 33.460 1.00 47.69 H new HETATM 0 H231 UKP A 300 23.850 13.628 33.902 1.00 47.69 H new HETATM 0 H222 UKP A 300 25.572 12.080 33.795 1.00 47.54 H new HETATM 0 H221 UKP A 300 26.667 13.191 33.794 1.00 47.54 H new HETATM 0 H203 UKP A 300 27.657 15.077 30.127 1.00 52.12 H new HETATM 0 H202 UKP A 300 28.447 14.725 31.453 1.00 52.12 H new HETATM 0 H201 UKP A 300 27.805 16.162 31.271 1.00 52.12 H new HETATM 0 H193 UKP A 300 30.743 15.872 31.883 1.00 52.12 H new HETATM 0 H192 UKP A 300 31.300 16.894 30.808 1.00 52.12 H new HETATM 0 H191 UKP A 300 30.040 17.277 31.688 1.00 52.12 H new HETATM 0 H181 UKP A 300 29.342 16.623 29.518 1.00 52.11 H new HETATM 0 H173 UKP A 300 32.038 14.781 25.305 1.00 50.94 H new HETATM 0 H172 UKP A 300 32.516 13.272 25.304 1.00 50.94 H new HETATM 0 H171 UKP A 300 31.644 13.826 24.104 1.00 50.94 H new HETATM 0 H163 UKP A 300 28.482 14.015 25.720 1.00 52.64 H new HETATM 0 H162 UKP A 300 29.451 15.246 25.488 1.00 52.64 H new HETATM 0 H161 UKP A 300 29.217 14.193 24.328 1.00 52.64 H new HETATM 0 H151 UKP A 300 30.250 12.542 25.637 1.00 52.75 H new HETATM 0 H143 UKP A 300 34.422 12.788 29.811 1.00 53.89 H new HETATM 0 H142 UKP A 300 33.797 13.428 31.118 1.00 53.89 H new HETATM 0 H141 UKP A 300 34.532 12.027 31.196 1.00 53.89 H new HETATM 0 H133 UKP A 300 31.805 12.168 32.266 1.00 54.93 H new HETATM 0 H132 UKP A 300 31.192 10.904 31.534 1.00 54.93 H new HETATM 0 H131 UKP A 300 32.640 10.824 32.173 1.00 54.93 H new HETATM 0 H121 UKP A 300 32.735 11.066 29.840 1.00 53.12 H new HETATM 0 H101 UKP A 300 29.562 15.212 27.553 1.00 51.78 H new HETATM 0 HZ1 UKP A 300 30.591 3.715 29.402 1.00 34.09 H new HETATM 0 HN1 UKP A 300 32.111 9.366 28.362 1.00 48.18 H new HETATM 0 HA1 UKP A 300 29.837 10.759 27.660 1.00 45.41 H new HETATM 0 H81 UKP A 300 31.210 13.990 31.087 1.00 51.86 H new HETATM 0 H52 UKP A 300 27.554 11.125 28.156 1.00 48.16 H new HETATM 0 H51 UKP A 300 26.541 10.376 29.075 1.00 48.16 H new HETATM 0 H42 UKP A 300 26.220 12.567 29.281 1.00 47.81 H new HETATM 0 H41 UKP A 300 27.732 12.795 29.586 1.00 47.81 H new HETATM 0 H22 UKP A 300 27.763 11.495 32.841 1.00 46.34 H new HETATM 0 H21 UKP A 300 28.661 12.101 31.719 1.00 46.34 H new HETATM 0 H12 UKP A 300 27.290 9.602 31.342 1.00 48.16 H new HETATM 0 H11 UKP A 300 28.786 9.648 31.782 1.00 48.16 H new HETATM 2006 O HOH A1000 28.936 -6.143 40.894 1.00 19.87 O HETATM 2007 O HOH A1001 22.402 0.149 27.492 1.00 23.34 O HETATM 2008 O HOH A1002 21.468 2.053 25.198 1.00 18.76 O HETATM 2009 O HOH A1003 13.707 -3.484 25.221 1.00 26.80 O HETATM 2010 O HOH A1004 30.039 3.223 51.635 1.00 41.84 O HETATM 2011 O HOH A1005 33.521 -1.135 28.577 1.00 41.68 O HETATM 2012 O HOH A1006 25.681 5.571 16.135 1.00 35.03 O HETATM 2013 O HOH A1007 20.341 9.593 25.219 1.00 40.50 O HETATM 2014 O HOH A1008 26.857 16.018 41.313 1.00 36.53 O HETATM 2015 O HOH A1009 37.023 5.087 25.962 1.00 35.27 O HETATM 2016 O HOH A1010 26.868 4.483 11.855 1.00 29.76 O HETATM 2017 O HOH A1011 37.163 9.122 43.233 1.00 33.83 O HETATM 2018 O HOH A1012 28.583 4.478 40.101 1.00 45.37 O HETATM 2019 O HOH A1013 37.560 -2.872 37.504 1.00 35.05 O HETATM 2020 O HOH A1014 6.108 -10.468 25.292 1.00 49.25 O HETATM 2021 O HOH A1015 12.892 -6.629 27.743 1.00 46.94 O HETATM 2022 O HOH A1016 0.214 7.273 41.077 1.00 42.48 O HETATM 2023 O HOH A1017 24.623 0.425 20.177 1.00 47.62 O HETATM 2024 O HOH A1018 21.003 -13.764 48.096 1.00 46.11 O HETATM 2025 O HOH A1019 37.562 1.737 26.125 1.00 41.59 O HETATM 2026 O HOH A1020 6.899 -1.088 45.938 1.00 44.97 O HETATM 2027 O HOH A1021 49.674 3.913 34.214 1.00 37.77 O HETATM 2028 O HOH A1022 19.005 6.755 48.123 1.00 36.40 O HETATM 2029 O HOH A1023 25.051 -10.060 14.557 1.00 40.02 O HETATM 2030 O HOH A1024 35.656 17.266 40.133 1.00 34.84 O HETATM 2031 O HOH A1025 41.841 2.639 20.331 1.00 42.32 O HETATM 2032 O HOH A1026 46.464 -7.579 37.902 1.00 46.40 O HETATM 2033 O HOH A1027 1.950 7.475 25.522 1.00 37.46 O HETATM 2034 O HOH A1028 37.543 -7.282 19.921 1.00 44.77 O HETATM 2035 O HOH A1029 40.351 16.856 38.977 1.00 38.00 O HETATM 2036 O HOH A1030 42.885 5.864 21.564 1.00 36.71 O HETATM 2037 O HOH A1031 -0.302 4.349 42.624 1.00 42.40 O HETATM 2038 O HOH A1032 2.655 -1.962 39.800 1.00 20.00 O HETATM 2039 O HOH A1033 5.315 -7.317 29.493 1.00 20.00 O HETATM 2040 O HOH A1034 0.364 1.617 24.745 1.00 20.00 O HETATM 2041 O HOH A1035 37.725 -1.753 25.403 1.00 20.00 O CONECT 250 362 CONECT 299 882 CONECT 362 250 CONECT 882 299 CONECT 1072 1609 CONECT 1332 1462 CONECT 1462 1332 CONECT 1546 1741 CONECT 1609 1072 CONECT 1741 1546 CONECT 1953 1954 1955 1956 1957 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1953 CONECT 1957 1953 CONECT 1958 1959 1960 1961 1962 CONECT 1959 1958 CONECT 1960 1958 CONECT 1961 1958 CONECT 1962 1958 CONECT 1963 1964 1992 CONECT 1964 1963 1967 1976 CONECT 1965 1970 1974 1975 CONECT 1966 1976 CONECT 1967 1964 1968 CONECT 1968 1967 1969 1973 CONECT 1969 1968 1970 CONECT 1970 1965 1969 1971 CONECT 1971 1970 1972 CONECT 1972 1971 1973 CONECT 1973 1968 1972 CONECT 1974 1965 CONECT 1975 1965 CONECT 1976 1964 1966 1995 CONECT 1977 1978 1982 1992 CONECT 1978 1977 1979 1983 CONECT 1979 1978 1980 CONECT 1980 1979 1981 1989 CONECT 1981 1980 1982 CONECT 1982 1977 1981 1986 CONECT 1983 1978 1984 1985 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1982 1987 1988 CONECT 1987 1986 CONECT 1988 1986 CONECT 1989 1980 1990 1991 CONECT 1990 1989 CONECT 1991 1989 CONECT 1992 1963 1977 1993 1994 CONECT 1993 1992 CONECT 1994 1992 CONECT 1995 1976 1996 2000 CONECT 1996 1995 1997 CONECT 1997 1996 1998 CONECT 1998 1997 1999 2001 CONECT 1999 1998 2000 CONECT 2000 1995 1999 CONECT 2001 1998 2002 2003 CONECT 2002 2001 CONECT 2003 2001 2004 CONECT 2004 2003 2005 CONECT 2005 2004 END