USER MOD reduce.3.24.130724 H: found=0, std=0, add=2064, rem=0, adj=76 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER LYASE/LYASE INHIBITOR 02-JUN-10 3NB5 TITLE HUMAN CARBONIC ANHYDRASE II IN COMPLEX WITH 2-(3-CHLORO-4- TITLE 2 HYDROXYPHENYL)-N-(4-SULFAMOYLPHENETHYL)ACETAMIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CARBONIC ANHYDRASE II, CA-II, CARBONATE DEHYDRATASE II, COMPND 5 CARBONIC ANHYDRASE C, CAC; COMPND 6 EC: 4.2.1.1; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CARBONIC ANHYDRASE II; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET KEYWDS DRUG DESIGN, NATURAL PRODUCT, SULFAMATE, LYASE-LYASE INHIBITOR KEYWDS 2 COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.HOFMANN,A.OSMAN,R.A.DAVIS REVDAT 1 20-APR-11 3NB5 0 JRNL AUTH R.A.DAVIS,A.HOFMANN,A.OSMAN,R.A.HALL,F.A.MUHLSCHLEGEL, JRNL AUTH 2 D.VULLO,A.INNOCENTI,C.T.SUPURAN,S.A.POULSEN JRNL TITL NATURAL PRODUCT-BASED PHENOLS AS NOVEL PROBES FOR JRNL TITL 2 MYCOBACTERIAL AND FUNGAL CARBONIC ANHYDRASES JRNL REF J.MED.CHEM. V. 54 1682 2011 JRNL REFN ISSN 0022-2623 JRNL PMID 21332115 JRNL DOI 10.1021/JM1013242 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES,PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 24.79 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1011777.810 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 99.4 REMARK 3 NUMBER OF REFLECTIONS : 22861 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.193 REMARK 3 FREE R VALUE : 0.207 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.900 REMARK 3 FREE R VALUE TEST SET COUNT : 1109 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.006 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.91 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.70 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 3494 REMARK 3 BIN R VALUE (WORKING SET) : 0.2010 REMARK 3 BIN FREE R VALUE : 0.2540 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.50 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 163 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.020 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2049 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 43 REMARK 3 SOLVENT ATOMS : 127 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 11.73 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 12.30 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.87000 REMARK 3 B22 (A**2) : -0.67000 REMARK 3 B33 (A**2) : -0.20000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.99000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.19 REMARK 3 ESD FROM SIGMAA (A) : 0.01 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.21 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.13 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.006 REMARK 3 BOND ANGLES (DEGREES) : 1.40 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 24.50 REMARK 3 IMPROPER ANGLES (DEGREES) : 0.79 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 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 : FLAT MODEL REMARK 3 KSOL : 0.39 REMARK 3 BSOL : 44.59 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : DNA-RNA_REP.PARAM REMARK 3 PARAMETER FILE 3 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 4 : ION.PARAM REMARK 3 PARAMETER FILE 5 : LIG.PAR REMARK 3 PARAMETER FILE 6 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP REMARK 3 TOPOLOGY FILE 3 : WATER.TOP REMARK 3 TOPOLOGY FILE 4 : ION.TOP REMARK 3 TOPOLOGY FILE 5 : LIG.TOP REMARK 3 TOPOLOGY FILE 6 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 3NB5 COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-JUN-10. REMARK 100 THE RCSB ID CODE IS RCSB059608. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-NOV-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : AUSTRALIAN SYNCHROTRON REMARK 200 BEAMLINE : MX1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.9544 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 210 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 22881 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 24.800 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 3.500 REMARK 200 R MERGE (I) : 0.07400 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) : 1.80 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.91 REMARK 200 COMPLETENESS FOR SHELL (%) : 99.4 REMARK 200 DATA REDUNDANCY IN SHELL : 3.30 REMARK 200 R MERGE FOR SHELL (I) : 0.23400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: FOURIER SYNTHESIS REMARK 200 SOFTWARE USED: CNS REMARK 200 STARTING MODEL: PDB ENTRY 3HKN REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.96 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.12 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 2.6M (NH4)2SO4, 0.1M TRIS/HCL, PH 8.5 REMARK 280 , VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 289K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 20.77000 REMARK 290 SMTRY3 2 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 MET A 1 REMARK 465 SER A 2 REMARK 465 HIS A 3 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 ALA A 65 -170.03 -173.92 REMARK 500 LYS A 111 -1.80 71.84 REMARK 500 ASN A 243 52.30 -94.57 REMARK 500 LYS A 251 -137.95 53.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 382 DISTANCE = 5.57 ANGSTROMS REMARK 525 HOH A 384 DISTANCE = 5.18 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 261 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 R21 A 300 NAK REMARK 620 2 HIS A 96 NE2 109.2 REMARK 620 3 HIS A 94 NE2 109.7 105.3 REMARK 620 4 HIS A 119 ND1 115.4 101.3 115.0 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 261 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE R21 A 300 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A 303 DBREF 3NB5 A 1 260 UNP P00918 CAH2_HUMAN 1 260 SEQRES 1 A 260 MET SER HIS HIS TRP GLY TYR GLY LYS HIS ASN GLY PRO SEQRES 2 A 260 GLU HIS TRP HIS LYS ASP PHE PRO ILE ALA LYS GLY GLU SEQRES 3 A 260 ARG GLN SER PRO VAL ASP ILE ASP THR HIS THR ALA LYS SEQRES 4 A 260 TYR ASP PRO SER LEU LYS PRO LEU SER VAL SER TYR ASP SEQRES 5 A 260 GLN ALA THR SER LEU ARG ILE LEU ASN ASN GLY HIS ALA SEQRES 6 A 260 PHE ASN VAL GLU PHE ASP ASP SER GLN ASP LYS ALA VAL SEQRES 7 A 260 LEU LYS GLY GLY PRO LEU ASP GLY THR TYR ARG LEU ILE SEQRES 8 A 260 GLN PHE HIS PHE HIS TRP GLY SER LEU ASP GLY GLN GLY SEQRES 9 A 260 SER GLU HIS THR VAL ASP LYS LYS LYS TYR ALA ALA GLU SEQRES 10 A 260 LEU HIS LEU VAL HIS TRP ASN THR LYS TYR GLY ASP PHE SEQRES 11 A 260 GLY LYS ALA VAL GLN GLN PRO ASP GLY LEU ALA VAL LEU SEQRES 12 A 260 GLY ILE PHE LEU LYS VAL GLY SER ALA LYS PRO GLY LEU SEQRES 13 A 260 GLN LYS VAL VAL ASP VAL LEU ASP SER ILE LYS THR LYS SEQRES 14 A 260 GLY LYS SER ALA ASP PHE THR ASN PHE ASP PRO ARG GLY SEQRES 15 A 260 LEU LEU PRO GLU SER LEU ASP TYR TRP THR TYR PRO GLY SEQRES 16 A 260 SER LEU THR THR PRO PRO LEU LEU GLU CYS VAL THR TRP SEQRES 17 A 260 ILE VAL LEU LYS GLU PRO ILE SER VAL SER SER GLU GLN SEQRES 18 A 260 VAL LEU LYS PHE ARG LYS LEU ASN PHE ASN GLY GLU GLY SEQRES 19 A 260 GLU PRO GLU GLU LEU MET VAL ASP ASN TRP ARG PRO ALA SEQRES 20 A 260 GLN PRO LEU LYS ASN ARG GLN ILE LYS ALA SER PHE LYS HET ZN A 261 1 HET R21 A 300 24 HET GOL A 301 6 HET GOL A 302 6 HET GOL A 303 6 HETNAM ZN ZINC ION HETNAM R21 2-(3-CHLORO-4-HYDROXYPHENYL)-N-[2-(4-SULFAMOYLPHENYL) HETNAM 2 R21 ETHYL]ACETAMIDE HETNAM GOL GLYCEROL HETSYN R21 2-(3-CHLORO-4-HYDROXYPHENYL)-N-(4-SULFAMOYLPHENETHYL) HETSYN 2 R21 ACETAMIDE HETSYN GOL GLYCERIN; PROPANE-1,2,3-TRIOL FORMUL 2 ZN ZN 2+ FORMUL 3 R21 C16 H17 CL N2 O4 S FORMUL 4 GOL 3(C3 H8 O3) FORMUL 7 HOH *127(H2 O) HELIX 1 1 HIS A 15 ASP A 19 5 5 HELIX 2 2 PHE A 20 GLY A 25 5 6 HELIX 3 3 LYS A 126 GLY A 128 5 3 HELIX 4 4 ASP A 129 VAL A 134 1 6 HELIX 5 5 LYS A 153 GLY A 155 5 3 HELIX 6 6 LEU A 156 ASP A 161 1 6 HELIX 7 7 VAL A 162 LYS A 167 5 6 HELIX 8 8 ASP A 179 LEU A 184 5 6 HELIX 9 9 SER A 218 ARG A 226 1 9 SHEET 1 A 2 ASP A 32 ILE A 33 0 SHEET 2 A 2 THR A 108 VAL A 109 1 O THR A 108 N ILE A 33 SHEET 1 B10 LYS A 39 TYR A 40 0 SHEET 2 B10 LYS A 256 ALA A 257 1 O ALA A 257 N LYS A 39 SHEET 3 B10 TYR A 190 GLY A 195 -1 N THR A 192 O LYS A 256 SHEET 4 B10 VAL A 206 LEU A 211 -1 O VAL A 206 N GLY A 195 SHEET 5 B10 LEU A 140 VAL A 149 1 N GLY A 144 O ILE A 209 SHEET 6 B10 ALA A 116 ASN A 124 -1 N LEU A 118 O ILE A 145 SHEET 7 B10 TYR A 88 TRP A 97 -1 N HIS A 94 O HIS A 119 SHEET 8 B10 PHE A 66 PHE A 70 -1 N PHE A 70 O ILE A 91 SHEET 9 B10 SER A 56 ASN A 61 -1 N ARG A 58 O GLU A 69 SHEET 10 B10 SER A 172 ASP A 174 -1 O ALA A 173 N ILE A 59 SHEET 1 C 6 LEU A 47 SER A 50 0 SHEET 2 C 6 VAL A 78 GLY A 81 -1 O LYS A 80 N SER A 48 SHEET 3 C 6 TYR A 88 TRP A 97 -1 O TYR A 88 N LEU A 79 SHEET 4 C 6 ALA A 116 ASN A 124 -1 O HIS A 119 N HIS A 94 SHEET 5 C 6 LEU A 140 VAL A 149 -1 O ILE A 145 N LEU A 118 SHEET 6 C 6 ILE A 215 VAL A 217 1 O ILE A 215 N PHE A 146 LINK ZN ZN A 261 NAK R21 A 300 1555 1555 2.08 LINK NE2 HIS A 96 ZN ZN A 261 1555 1555 2.09 LINK NE2 HIS A 94 ZN ZN A 261 1555 1555 2.12 LINK ND1 HIS A 119 ZN ZN A 261 1555 1555 2.16 CISPEP 1 SER A 29 PRO A 30 0 -0.04 CISPEP 2 PRO A 200 PRO A 201 0 0.30 SITE *** AC1 4 HIS A 94 HIS A 96 HIS A 119 R21 A 300 SITE *** AC2 14 HIS A 94 HIS A 96 HIS A 119 PHE A 130 SITE *** AC2 14 GLY A 131 LEU A 197 THR A 198 THR A 199 SITE *** AC2 14 TRP A 208 ZN A 261 HOH A 375 HOH A 381 SITE *** AC2 14 HOH A 390 HOH A 391 SITE *** AC3 4 TYR A 7 PRO A 13 ASP A 242 TRP A 244 SITE *** AC4 7 ALA A 38 TYR A 40 ALA A 257 PHE A 259 SITE *** AC4 7 LYS A 260 HOH A 282 HOH A 344 SITE *** AC5 9 ASN A 62 HIS A 64 ALA A 65 ASN A 67 SITE *** AC5 9 GLN A 92 HIS A 94 HOH A 274 HOH A 346 SITE *** AC5 9 HOH A 376 CRYST1 42.670 41.540 72.470 90.00 104.89 90.00 P 1 21 1 2 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 0.023436 0.000000 0.006231 0.00000 SCALE2 0.000000 0.024073 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014278 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 94 HIS HE2 : A 94 HIS NE2 : A 261 ZNZN :(H bumps) USER MOD NoAdj-H: A 96 HIS HE2 : A 96 HIS NE2 : A 261 ZNZN :(H bumps) USER MOD NoAdj-H: A 119 HIS HD1 : A 119 HIS ND1 : A 261 ZNZN :(H bumps) USER MOD NoAdj-H: A 300 R21HOAB : A 300 R21 OAB : A 300 R21 CAC :(short bond) USER MOD NoAdj-H: A 300 R21HNAK : A 300 R21 NAK : A 261 ZNZN :(H bumps) USER MOD Set 1.1: A 157 GLN : amide:sc= -0.293 K(o=0.5,f=-3.4) USER MOD Set 1.2: A 221 GLN : amide:sc= 0.795 K(o=0.5,f=-6!) USER MOD Set 2.1: A 29 SER OG : rot -171:sc= 1.56 USER MOD Set 2.2: A 107 HIS : +bothHN:sc= 1.94 K(o=5.2,f=-8.2!) USER MOD Set 2.3: A 193 TYR OH : rot 145:sc= 1.74 USER MOD Set 3.1: A 88 TYR OH : rot -149:sc= 2.55 USER MOD Set 3.2: A 124 ASN : amide:sc= -0.573 K(o=2,f=-2.4!) USER MOD Set 4.1: A 80 LYS NZ :NH3+ 165:sc= 0.814 (180deg=0.074) USER MOD Set 4.2: A 87 THR OG1 : rot 180:sc= 0.649 USER MOD Set 5.1: A 62 ASN : amide:sc= 0.681 K(o=6.3,f=-3.7!) USER MOD Set 5.2: A 67 ASN :FLIP amide:sc= 1.05 F(o=1.9!,f=6.3) USER MOD Set 5.3: A 92 GLN : amide:sc= 1.27 K(o=6.3,f=-0.25!) USER MOD Set 5.4: A 303 GOL O2 : rot 146:sc= 1.45 USER MOD Set 5.5: A 303 GOL O3 : rot -159:sc= 1.81 USER MOD Set 6.1: A 61 ASN : amide:sc= -0.137 K(o=-0.14,f=-7.2!) USER MOD Set 6.2: A 240 MET CE :methyl 179:sc= 0 (180deg=-0.00113) USER MOD Set 7.1: A 55 THR OG1 : rot -170:sc=-0.00465 USER MOD Set 7.2: A 76 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.21) USER MOD Set 8.1: A 51 TYR OH : rot -8:sc= 1.35 USER MOD Set 8.2: A 122 HIS : no HE2:sc= 1.08 K(o=2.4,f=-6.5!) USER MOD Set 9.1: A 35 THR OG1 : rot -120:sc= 1.25 USER MOD Set 9.2: A 36 HIS :FLIP no HD1:sc= 0.634 F(o=-0.76!,f=1.9) USER MOD Set10.1: A 15 HIS : no HD1:sc= 0.914 K(o=2,f=-6.6!) USER MOD Set10.2: A 18 LYS NZ :NH3+ 160:sc= 1.09 (180deg=0) USER MOD Single : A 4 HIS :FLIP no HD1:sc= -0.0947 F(o=-1.9!,f=-0.095) USER MOD Single : A 7 TYR OH : rot 19:sc= 2.58 USER MOD Single : A 9 LYS NZ :NH3+ -160:sc= -0.0652 (180deg=-0.378) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 11 ASN : amide:sc= -0.0296 K(o=-0.03,f=-5.4!) USER MOD Single : A 17 HIS : no HD1:sc= -0.68 X(o=-0.68,f=-0.66) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.603 K(o=0.6,f=-4.1!) USER MOD Single : A 37 THR OG1 : rot 62:sc= 1.26 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= 2.01 (180deg=1.94) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -34:sc= 1.18 USER MOD Single : A 45 LYS NZ :NH3+ -135:sc= -3! (180deg=-5.28!) USER MOD Single : A 48 SER OG : rot -90:sc= 0.969 USER MOD Single : A 50 SER OG : rot 96:sc= 1.32 USER MOD Single : A 53 GLN :FLIP amide:sc= 0.453 F(o=-0.23,f=0.45) USER MOD Single : A 56 SER OG : rot 99:sc= 1.71 USER MOD Single : A 64 HIS : no HE2:sc= 0.0435 X(o=0.044,f=-0.09) USER MOD Single : A 73 SER OG : rot -84:sc= 0.837 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 SER OG : rot -104:sc= 0.757 USER MOD Single : A 103 GLN :FLIP amide:sc= 0.807 F(o=-0.05,f=0.81) USER MOD Single : A 105 SER OG : rot 108:sc= 0.865 USER MOD Single : A 108 THR OG1 : rot 91:sc= 2.28 USER MOD Single : A 111 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0163) USER MOD Single : A 112 LYS NZ :NH3+ 168:sc= 0.921 (180deg=0.828) USER MOD Single : A 113 LYS NZ :NH3+ 176:sc= 0.462 (180deg=0.453) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ -147:sc= 0.00314 (180deg=0) USER MOD Single : A 127 TYR OH : rot -170:sc= 1.27 USER MOD Single : A 132 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ B:NH3+ -165:sc= -0.384 (180deg=-1.2!) USER MOD Single : A 135 GLN A: amide:sc= -0.0214 X(o=-0.021,f=-0.1) USER MOD Single : A 135 GLN B: amide:sc= 0.289 X(o=0.29,f=0.074) USER MOD Single : A 136 GLN :FLIP amide:sc= 0 F(o=-0.51,f=0) USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot 180:sc= 0 USER MOD Single : A 153 LYS NZ :NH3+ 153:sc= 0.11 (180deg=0.0196) USER MOD Single : A 158 LYS NZ :NH3+ 159:sc= 0.0187 (180deg=0) USER MOD Single : A 165 SER OG : rot -52:sc= 0.972 USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 168 THR OG1 : rot -112:sc= 2.19 USER MOD Single : A 169 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 LYS NZ :NH3+ 134:sc= 0.266 (180deg=-0.55) USER MOD Single : A 172 SER OG : rot 180:sc= 0 USER MOD Single : A 176 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0.0525 USER MOD Single : A 190 TYR OH : rot -145:sc= 1 USER MOD Single : A 192 THR OG1 : rot 48:sc= 2.12 USER MOD Single : A 196 SER OG : rot 86:sc= 0.529 USER MOD Single : A 198 THR OG1 : rot 173:sc= 0.793 USER MOD Single : A 199 THR OG1 : rot 169:sc= 0.389 USER MOD Single : A 205 CYS SG : rot 58:sc= -0.102 USER MOD Single : A 207 THR OG1 : rot 109:sc= 2.34 USER MOD Single : A 212 LYS NZ :NH3+ -142:sc= 0.336 (180deg=0.0235) USER MOD Single : A 216 SER OG : rot 180:sc= 0 USER MOD Single : A 218 SER OG : rot 165:sc= -0.827! USER MOD Single : A 219 SER OG : rot -82:sc= 0 USER MOD Single : A 224 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 229 ASN :FLIP amide:sc= -1.15 F(o=-2.2,f=-1.2) USER MOD Single : A 231 ASN : amide:sc= -0.23 K(o=-0.23,f=-7.1!) USER MOD Single : A 243 ASN : amide:sc= 1.45 K(o=1.5,f=-8.9!) USER MOD Single : A 248 GLN : amide:sc= 1.76 K(o=1.8,f=1) USER MOD Single : A 251 LYS NZ :NH3+ -168:sc= 1.03 (180deg=0.943) USER MOD Single : A 252 ASN : amide:sc= 0 X(o=0,f=0.47) USER MOD Single : A 254 GLN :FLIP amide:sc= -0.481 F(o=-2.6!,f=-0.48) USER MOD Single : A 256 LYS NZ :NH3+ -138:sc= -0.0731 (180deg=-0.385) USER MOD Single : A 258 SER OG : rot 170:sc= 0.381 USER MOD Single : A 260 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 301 GOL O1 : rot -26:sc= -0.0253 USER MOD Single : A 301 GOL O2 : rot -156:sc= 0.0145 USER MOD Single : A 301 GOL O3 : rot 74:sc= 1.06 USER MOD Single : A 302 GOL O1 : rot 103:sc= 1.15 USER MOD Single : A 302 GOL O2 : rot 180:sc= -0.284 USER MOD Single : A 302 GOL O3 : rot 35:sc= 1.27 USER MOD Single : A 303 GOL O1 : rot -36:sc= 2.08 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 4 31.578 1.581 7.445 1.00 30.66 N ATOM 2 CA HIS A 4 31.258 2.107 8.802 1.00 25.56 C ATOM 3 C HIS A 4 30.671 0.986 9.661 1.00 23.90 C ATOM 4 O HIS A 4 31.173 -0.138 9.646 1.00 24.63 O ATOM 5 CB HIS A 4 30.262 3.266 8.697 1.00 30.88 C ATOM 6 CG HIS A 4 30.512 4.372 9.678 1.00 32.18 C ATOM 7 ND1 HIS A 4 29.800 4.793 10.750 1.00 34.28 N flip ATOM 8 CD2 HIS A 4 31.613 5.197 9.603 1.00 34.08 C flip ATOM 9 CE1 HIS A 4 30.478 5.855 11.296 1.00 33.39 C flip ATOM 10 NE2 HIS A 4 31.568 6.079 10.585 1.00 33.26 N flip ATOM 0 HA HIS A 4 32.072 2.434 9.217 1.00 25.56 H new ATOM 0 HB2 HIS A 4 30.295 3.629 7.798 1.00 30.88 H new ATOM 0 HB3 HIS A 4 29.365 2.923 8.831 1.00 30.88 H new ATOM 0 HD2 HIS A 4 32.283 5.141 8.961 1.00 34.08 H new ATOM 0 HE1 HIS A 4 30.213 6.338 12.045 1.00 33.39 H new ATOM 0 HE2 HIS A 4 32.150 6.694 10.736 1.00 33.26 H new ATOM 11 N TRP A 5 29.604 1.284 10.397 1.00 18.11 N ATOM 12 CA TRP A 5 28.982 0.288 11.266 1.00 15.15 C ATOM 13 C TRP A 5 27.970 -0.597 10.546 1.00 14.55 C ATOM 14 O TRP A 5 27.372 -0.196 9.545 1.00 13.07 O ATOM 15 CB TRP A 5 28.296 0.973 12.451 1.00 14.72 C ATOM 16 CG TRP A 5 27.068 1.754 12.080 1.00 12.94 C ATOM 17 CD1 TRP A 5 27.009 3.056 11.655 1.00 10.55 C ATOM 18 CD2 TRP A 5 25.720 1.272 12.087 1.00 10.73 C ATOM 19 NE1 TRP A 5 25.704 3.411 11.400 1.00 11.38 N ATOM 20 CE2 TRP A 5 24.892 2.335 11.657 1.00 13.43 C ATOM 21 CE3 TRP A 5 25.129 0.042 12.414 1.00 11.27 C ATOM 22 CZ2 TRP A 5 23.502 2.206 11.547 1.00 9.77 C ATOM 23 CZ3 TRP A 5 23.745 -0.086 12.305 1.00 9.47 C ATOM 24 CH2 TRP A 5 22.948 0.992 11.875 1.00 9.86 C ATOM 0 H TRP A 5 29.225 2.056 10.408 1.00 18.11 H new ATOM 0 HA TRP A 5 29.700 -0.287 11.573 1.00 15.15 H new ATOM 0 HB2 TRP A 5 28.054 0.300 13.106 1.00 14.72 H new ATOM 0 HB3 TRP A 5 28.930 1.569 12.879 1.00 14.72 H new ATOM 0 HD1 TRP A 5 27.744 3.617 11.554 1.00 10.55 H new ATOM 0 HE1 TRP A 5 25.440 4.182 11.124 1.00 11.38 H new ATOM 0 HE3 TRP A 5 25.650 -0.674 12.698 1.00 11.27 H new ATOM 0 HZ2 TRP A 5 22.973 2.916 11.262 1.00 9.77 H new ATOM 0 HZ3 TRP A 5 23.342 -0.896 12.520 1.00 9.47 H new ATOM 0 HH2 TRP A 5 22.027 0.880 11.812 1.00 9.86 H new ATOM 25 N GLY A 6 27.773 -1.802 11.069 1.00 11.46 N ATOM 26 CA GLY A 6 26.825 -2.720 10.464 1.00 12.38 C ATOM 27 C GLY A 6 26.424 -3.842 11.401 1.00 11.22 C ATOM 28 O GLY A 6 26.412 -3.668 12.620 1.00 9.85 O ATOM 0 H GLY A 6 28.175 -2.103 11.767 1.00 11.46 H new ATOM 0 HA2 GLY A 6 26.033 -2.230 10.193 1.00 12.38 H new ATOM 0 HA3 GLY A 6 27.214 -3.098 9.660 1.00 12.38 H new ATOM 29 N TYR A 7 26.094 -4.998 10.833 1.00 10.49 N ATOM 30 CA TYR A 7 25.685 -6.153 11.624 1.00 12.12 C ATOM 31 C TYR A 7 26.526 -7.388 11.321 1.00 16.34 C ATOM 32 O TYR A 7 26.148 -8.505 11.670 1.00 19.39 O ATOM 33 CB TYR A 7 24.207 -6.452 11.373 1.00 9.72 C ATOM 34 CG TYR A 7 23.294 -5.369 11.895 1.00 9.34 C ATOM 35 CD1 TYR A 7 22.958 -5.306 13.249 1.00 7.85 C ATOM 36 CD2 TYR A 7 22.793 -4.385 11.042 1.00 9.01 C ATOM 37 CE1 TYR A 7 22.140 -4.285 13.741 1.00 7.51 C ATOM 38 CE2 TYR A 7 21.980 -3.365 11.521 1.00 10.02 C ATOM 39 CZ TYR A 7 21.658 -3.321 12.870 1.00 12.02 C ATOM 40 OH TYR A 7 20.850 -2.311 13.341 1.00 9.79 O ATOM 0 H TYR A 7 26.101 -5.134 9.984 1.00 10.49 H new ATOM 0 HA TYR A 7 25.824 -5.932 12.558 1.00 12.12 H new ATOM 0 HB2 TYR A 7 24.061 -6.561 10.420 1.00 9.72 H new ATOM 0 HB3 TYR A 7 23.976 -7.295 11.794 1.00 9.72 H new ATOM 0 HD1 TYR A 7 23.283 -5.953 13.832 1.00 7.85 H new ATOM 0 HD2 TYR A 7 23.007 -4.412 10.137 1.00 9.01 H new ATOM 0 HE1 TYR A 7 21.921 -4.253 14.644 1.00 7.51 H new ATOM 0 HE2 TYR A 7 21.654 -2.716 10.941 1.00 10.02 H new ATOM 0 HH TYR A 7 20.938 -2.247 14.174 1.00 9.79 H new ATOM 41 N GLY A 8 27.665 -7.179 10.670 1.00 15.94 N ATOM 42 CA GLY A 8 28.549 -8.284 10.344 1.00 22.84 C ATOM 43 C GLY A 8 29.495 -8.586 11.489 1.00 22.13 C ATOM 44 O GLY A 8 29.448 -7.933 12.530 1.00 24.25 O ATOM 0 H GLY A 8 27.941 -6.407 10.410 1.00 15.94 H new ATOM 0 HA2 GLY A 8 28.023 -9.073 10.139 1.00 22.84 H new ATOM 0 HA3 GLY A 8 29.059 -8.069 9.548 1.00 22.84 H new ATOM 45 N LYS A 9 30.371 -9.566 11.297 1.00 25.97 N ATOM 46 CA LYS A 9 31.319 -9.957 12.335 1.00 27.07 C ATOM 47 C LYS A 9 32.385 -8.895 12.607 1.00 27.70 C ATOM 48 O LYS A 9 32.865 -8.762 13.735 1.00 26.93 O ATOM 49 CB LYS A 9 32.002 -11.272 11.942 1.00 30.57 C ATOM 50 CG LYS A 9 32.245 -12.232 13.101 1.00 33.50 C ATOM 51 CD LYS A 9 33.191 -11.658 14.143 1.00 35.27 C ATOM 52 CE LYS A 9 33.373 -12.626 15.304 1.00 35.79 C ATOM 53 NZ LYS A 9 32.070 -12.972 15.939 1.00 36.10 N ATOM 0 H LYS A 9 30.433 -10.020 10.569 1.00 25.97 H new ATOM 0 HA LYS A 9 30.809 -10.065 13.153 1.00 27.07 H new ATOM 0 HB2 LYS A 9 31.457 -11.719 11.276 1.00 30.57 H new ATOM 0 HB3 LYS A 9 32.853 -11.068 11.522 1.00 30.57 H new ATOM 0 HG2 LYS A 9 31.398 -12.448 13.521 1.00 33.50 H new ATOM 0 HG3 LYS A 9 32.611 -13.062 12.758 1.00 33.50 H new ATOM 0 HD2 LYS A 9 34.051 -11.470 13.736 1.00 35.27 H new ATOM 0 HD3 LYS A 9 32.843 -10.815 14.472 1.00 35.27 H new ATOM 0 HE2 LYS A 9 33.804 -13.435 14.987 1.00 35.79 H new ATOM 0 HE3 LYS A 9 33.962 -12.231 15.966 1.00 35.79 H new ATOM 0 HZ1 LYS A 9 32.213 -13.286 16.759 1.00 36.10 H new ATOM 0 HZ2 LYS A 9 31.560 -12.244 15.985 1.00 36.10 H new ATOM 0 HZ3 LYS A 9 31.658 -13.593 15.452 1.00 36.10 H new ATOM 54 N HIS A 10 32.746 -8.126 11.585 1.00 24.36 N ATOM 55 CA HIS A 10 33.782 -7.116 11.755 1.00 24.12 C ATOM 56 C HIS A 10 33.316 -5.685 12.000 1.00 20.50 C ATOM 57 O HIS A 10 34.134 -4.812 12.290 1.00 19.92 O ATOM 58 CB HIS A 10 34.741 -7.150 10.560 1.00 28.07 C ATOM 59 CG HIS A 10 35.493 -8.439 10.432 1.00 28.76 C ATOM 60 ND1 HIS A 10 34.924 -9.585 9.918 1.00 32.93 N ATOM 61 CD2 HIS A 10 36.755 -8.773 10.788 1.00 31.30 C ATOM 62 CE1 HIS A 10 35.805 -10.569 9.962 1.00 31.06 C ATOM 63 NE2 HIS A 10 36.924 -10.103 10.487 1.00 32.70 N ATOM 0 H HIS A 10 32.408 -8.172 10.795 1.00 24.36 H new ATOM 0 HA HIS A 10 34.222 -7.367 12.582 1.00 24.12 H new ATOM 0 HB2 HIS A 10 34.237 -6.996 9.746 1.00 28.07 H new ATOM 0 HB3 HIS A 10 35.375 -6.421 10.643 1.00 28.07 H new ATOM 0 HD2 HIS A 10 37.390 -8.208 11.166 1.00 31.30 H new ATOM 0 HE1 HIS A 10 35.662 -11.441 9.673 1.00 31.06 H new ATOM 0 HE2 HIS A 10 37.642 -10.558 10.619 1.00 32.70 H new ATOM 64 N ASN A 11 32.015 -5.437 11.894 1.00 18.34 N ATOM 65 CA ASN A 11 31.496 -4.091 12.120 1.00 14.34 C ATOM 66 C ASN A 11 30.207 -4.113 12.930 1.00 11.70 C ATOM 67 O ASN A 11 29.516 -3.100 13.023 1.00 9.22 O ATOM 68 CB ASN A 11 31.251 -3.379 10.779 1.00 15.84 C ATOM 69 CG ASN A 11 30.161 -4.044 9.943 1.00 15.72 C ATOM 70 OD1 ASN A 11 29.612 -5.083 10.316 1.00 15.29 O ATOM 71 ND2 ASN A 11 29.846 -3.441 8.800 1.00 17.97 N ATOM 0 H ASN A 11 31.421 -6.026 11.695 1.00 18.34 H new ATOM 0 HA ASN A 11 32.164 -3.605 12.628 1.00 14.34 H new ATOM 0 HB2 ASN A 11 31.004 -2.456 10.948 1.00 15.84 H new ATOM 0 HB3 ASN A 11 32.077 -3.363 10.271 1.00 15.84 H new ATOM 0 HD21 ASN A 11 29.239 -3.775 8.291 1.00 17.97 H new ATOM 0 HD22 ASN A 11 30.249 -2.717 8.570 1.00 17.97 H new ATOM 72 N GLY A 12 29.905 -5.268 13.524 1.00 12.08 N ATOM 73 CA GLY A 12 28.686 -5.423 14.306 1.00 10.26 C ATOM 74 C GLY A 12 28.629 -4.763 15.674 1.00 10.24 C ATOM 75 O GLY A 12 29.572 -4.093 16.091 1.00 10.76 O ATOM 0 H GLY A 12 30.396 -5.973 13.484 1.00 12.08 H new ATOM 0 HA2 GLY A 12 27.948 -5.078 13.779 1.00 10.26 H new ATOM 0 HA3 GLY A 12 28.529 -6.373 14.427 1.00 10.26 H new ATOM 76 N PRO A 13 27.518 -4.950 16.406 1.00 8.72 N ATOM 77 CA PRO A 13 27.278 -4.392 17.745 1.00 9.33 C ATOM 78 C PRO A 13 28.457 -4.432 18.723 1.00 9.58 C ATOM 79 O PRO A 13 28.613 -3.530 19.545 1.00 9.73 O ATOM 80 CB PRO A 13 26.094 -5.211 18.245 1.00 9.56 C ATOM 81 CG PRO A 13 25.306 -5.434 16.995 1.00 11.23 C ATOM 82 CD PRO A 13 26.388 -5.806 15.993 1.00 10.63 C ATOM 0 HA PRO A 13 27.120 -3.437 17.689 1.00 9.33 H new ATOM 0 HB2 PRO A 13 26.377 -6.047 18.648 1.00 9.56 H new ATOM 0 HB3 PRO A 13 25.581 -4.733 18.915 1.00 9.56 H new ATOM 0 HG2 PRO A 13 24.652 -6.142 17.101 1.00 11.23 H new ATOM 0 HG3 PRO A 13 24.821 -4.638 16.726 1.00 11.23 H new ATOM 0 HD2 PRO A 13 26.614 -6.748 16.039 1.00 10.63 H new ATOM 0 HD3 PRO A 13 26.113 -5.625 15.081 1.00 10.63 H new ATOM 83 N GLU A 14 29.277 -5.476 18.637 1.00 9.27 N ATOM 84 CA GLU A 14 30.431 -5.634 19.523 1.00 11.43 C ATOM 85 C GLU A 14 31.526 -4.599 19.240 1.00 10.14 C ATOM 86 O GLU A 14 32.394 -4.346 20.082 1.00 13.37 O ATOM 87 CB GLU A 14 31.027 -7.037 19.351 1.00 18.46 C ATOM 88 CG GLU A 14 30.015 -8.143 19.032 1.00 30.11 C ATOM 89 CD GLU A 14 29.324 -7.958 17.678 1.00 31.06 C ATOM 90 OE1 GLU A 14 30.020 -7.725 16.667 1.00 29.40 O ATOM 91 OE2 GLU A 14 28.080 -8.050 17.624 1.00 37.94 O ATOM 0 H GLU A 14 29.182 -6.112 18.066 1.00 9.27 H new ATOM 0 HA GLU A 14 30.115 -5.502 20.430 1.00 11.43 H new ATOM 0 HB2 GLU A 14 31.686 -7.007 18.640 1.00 18.46 H new ATOM 0 HB3 GLU A 14 31.498 -7.275 20.165 1.00 18.46 H new ATOM 0 HG2 GLU A 14 30.468 -9.001 19.042 1.00 30.11 H new ATOM 0 HG3 GLU A 14 29.343 -8.169 19.731 1.00 30.11 H new ATOM 92 N HIS A 15 31.483 -4.011 18.050 1.00 8.68 N ATOM 93 CA HIS A 15 32.474 -3.029 17.620 1.00 9.60 C ATOM 94 C HIS A 15 32.023 -1.573 17.743 1.00 9.84 C ATOM 95 O HIS A 15 32.858 -0.667 17.764 1.00 8.66 O ATOM 96 CB HIS A 15 32.852 -3.284 16.153 1.00 9.17 C ATOM 97 CG HIS A 15 33.615 -4.552 15.926 1.00 13.44 C ATOM 98 ND1 HIS A 15 34.974 -4.650 16.135 1.00 12.10 N ATOM 99 CD2 HIS A 15 33.213 -5.770 15.491 1.00 13.10 C ATOM 100 CE1 HIS A 15 35.377 -5.872 15.837 1.00 18.04 C ATOM 101 NE2 HIS A 15 34.328 -6.572 15.443 1.00 16.37 N ATOM 0 H HIS A 15 30.874 -4.171 17.464 1.00 8.68 H new ATOM 0 HA HIS A 15 33.227 -3.146 18.220 1.00 9.60 H new ATOM 0 HB2 HIS A 15 32.042 -3.306 15.620 1.00 9.17 H new ATOM 0 HB3 HIS A 15 33.382 -2.538 15.832 1.00 9.17 H new ATOM 0 HD2 HIS A 15 32.345 -6.017 15.267 1.00 13.10 H new ATOM 0 HE1 HIS A 15 36.250 -6.186 15.895 1.00 18.04 H new ATOM 0 HE2 HIS A 15 34.341 -7.396 15.197 1.00 16.37 H new ATOM 102 N TRP A 16 30.712 -1.352 17.815 1.00 8.97 N ATOM 103 CA TRP A 16 30.160 0.001 17.876 1.00 8.95 C ATOM 104 C TRP A 16 30.729 0.951 18.930 1.00 6.82 C ATOM 105 O TRP A 16 30.827 2.150 18.684 1.00 10.67 O ATOM 106 CB TRP A 16 28.632 -0.050 18.038 1.00 6.98 C ATOM 107 CG TRP A 16 27.899 -0.725 16.911 1.00 7.70 C ATOM 108 CD1 TRP A 16 28.422 -1.152 15.721 1.00 9.22 C ATOM 109 CD2 TRP A 16 26.501 -1.048 16.873 1.00 4.95 C ATOM 110 NE1 TRP A 16 27.435 -1.724 14.948 1.00 8.25 N ATOM 111 CE2 TRP A 16 26.247 -1.672 15.632 1.00 9.73 C ATOM 112 CE3 TRP A 16 25.440 -0.870 17.770 1.00 6.62 C ATOM 113 CZ2 TRP A 16 24.971 -2.121 15.263 1.00 7.60 C ATOM 114 CZ3 TRP A 16 24.167 -1.319 17.403 1.00 6.75 C ATOM 115 CH2 TRP A 16 23.948 -1.935 16.161 1.00 6.44 C ATOM 0 H TRP A 16 30.121 -1.977 17.830 1.00 8.97 H new ATOM 0 HA TRP A 16 30.435 0.381 17.027 1.00 8.95 H new ATOM 0 HB2 TRP A 16 28.423 -0.511 18.865 1.00 6.98 H new ATOM 0 HB3 TRP A 16 28.299 0.857 18.127 1.00 6.98 H new ATOM 0 HD1 TRP A 16 29.314 -1.068 15.470 1.00 9.22 H new ATOM 0 HE1 TRP A 16 27.546 -2.059 14.164 1.00 8.25 H new ATOM 0 HE3 TRP A 16 25.579 -0.461 18.594 1.00 6.62 H new ATOM 0 HZ2 TRP A 16 24.823 -2.530 14.441 1.00 7.60 H new ATOM 0 HZ3 TRP A 16 23.455 -1.208 17.991 1.00 6.75 H new ATOM 0 HH2 TRP A 16 23.092 -2.224 15.941 1.00 6.44 H new ATOM 116 N HIS A 17 31.104 0.432 20.094 1.00 7.22 N ATOM 117 CA HIS A 17 31.620 1.290 21.159 1.00 9.35 C ATOM 118 C HIS A 17 32.896 2.065 20.823 1.00 7.10 C ATOM 119 O HIS A 17 33.191 3.073 21.461 1.00 7.86 O ATOM 120 CB HIS A 17 31.851 0.472 22.431 1.00 8.68 C ATOM 121 CG HIS A 17 33.063 -0.404 22.372 1.00 7.89 C ATOM 122 ND1 HIS A 17 34.272 -0.040 22.928 1.00 14.06 N ATOM 123 CD2 HIS A 17 33.258 -1.620 21.809 1.00 11.80 C ATOM 124 CE1 HIS A 17 35.159 -0.996 22.709 1.00 11.13 C ATOM 125 NE2 HIS A 17 34.569 -1.964 22.032 1.00 13.62 N ATOM 0 H HIS A 17 31.069 -0.405 20.288 1.00 7.22 H new ATOM 0 HA HIS A 17 30.931 1.961 21.286 1.00 9.35 H new ATOM 0 HB2 HIS A 17 31.936 1.077 23.184 1.00 8.68 H new ATOM 0 HB3 HIS A 17 31.071 -0.080 22.597 1.00 8.68 H new ATOM 0 HD2 HIS A 17 32.623 -2.127 21.356 1.00 11.80 H new ATOM 0 HE1 HIS A 17 36.047 -0.988 22.985 1.00 11.13 H new ATOM 0 HE2 HIS A 17 34.945 -2.693 21.772 1.00 13.62 H new ATOM 126 N LYS A 18 33.654 1.605 19.835 1.00 9.22 N ATOM 127 CA LYS A 18 34.889 2.299 19.475 1.00 9.89 C ATOM 128 C LYS A 18 34.627 3.673 18.854 1.00 11.88 C ATOM 129 O LYS A 18 35.304 4.650 19.183 1.00 14.27 O ATOM 130 CB LYS A 18 35.731 1.413 18.547 1.00 9.92 C ATOM 131 CG LYS A 18 36.426 0.272 19.300 1.00 9.97 C ATOM 132 CD LYS A 18 37.170 -0.682 18.364 1.00 9.34 C ATOM 133 CE LYS A 18 36.198 -1.594 17.631 1.00 8.56 C ATOM 134 NZ LYS A 18 36.888 -2.486 16.660 1.00 12.01 N ATOM 0 H LYS A 18 33.478 0.906 19.367 1.00 9.22 H new ATOM 0 HA LYS A 18 35.388 2.464 20.290 1.00 9.89 H new ATOM 0 HB2 LYS A 18 35.162 1.041 17.855 1.00 9.92 H new ATOM 0 HB3 LYS A 18 36.399 1.958 18.102 1.00 9.92 H new ATOM 0 HG2 LYS A 18 37.052 0.645 19.940 1.00 9.97 H new ATOM 0 HG3 LYS A 18 35.766 -0.226 19.806 1.00 9.97 H new ATOM 0 HD2 LYS A 18 37.688 -0.172 17.721 1.00 9.34 H new ATOM 0 HD3 LYS A 18 37.798 -1.217 18.874 1.00 9.34 H new ATOM 0 HE2 LYS A 18 35.714 -2.133 18.276 1.00 8.56 H new ATOM 0 HE3 LYS A 18 35.542 -1.055 17.163 1.00 8.56 H new ATOM 0 HZ1 LYS A 18 36.364 -3.180 16.470 1.00 12.01 H new ATOM 0 HZ2 LYS A 18 37.063 -2.034 15.913 1.00 12.01 H new ATOM 0 HZ3 LYS A 18 37.650 -2.778 17.015 1.00 12.01 H new ATOM 135 N ASP A 19 33.641 3.749 17.966 1.00 10.05 N ATOM 136 CA ASP A 19 33.274 5.011 17.335 1.00 13.09 C ATOM 137 C ASP A 19 32.179 5.715 18.139 1.00 13.29 C ATOM 138 O ASP A 19 32.063 6.942 18.106 1.00 10.36 O ATOM 139 CB ASP A 19 32.766 4.766 15.910 1.00 16.64 C ATOM 140 CG ASP A 19 33.887 4.675 14.894 1.00 21.68 C ATOM 141 OD1 ASP A 19 34.955 4.117 15.219 1.00 23.96 O ATOM 142 OD2 ASP A 19 33.689 5.150 13.757 1.00 26.75 O ATOM 0 H ASP A 19 33.169 3.076 17.714 1.00 10.05 H new ATOM 0 HA ASP A 19 34.064 5.573 17.307 1.00 13.09 H new ATOM 0 HB2 ASP A 19 32.251 3.944 15.892 1.00 16.64 H new ATOM 0 HB3 ASP A 19 32.164 5.484 15.658 1.00 16.64 H new ATOM 143 N PHE A 20 31.383 4.929 18.861 1.00 8.62 N ATOM 144 CA PHE A 20 30.275 5.451 19.660 1.00 10.78 C ATOM 145 C PHE A 20 30.371 4.950 21.101 1.00 11.41 C ATOM 146 O PHE A 20 29.674 4.014 21.494 1.00 11.32 O ATOM 147 CB PHE A 20 28.944 5.003 19.038 1.00 6.73 C ATOM 148 CG PHE A 20 28.794 5.392 17.592 1.00 9.97 C ATOM 149 CD1 PHE A 20 28.359 6.668 17.238 1.00 13.33 C ATOM 150 CD2 PHE A 20 29.139 4.499 16.582 1.00 10.69 C ATOM 151 CE1 PHE A 20 28.275 7.049 15.897 1.00 10.21 C ATOM 152 CE2 PHE A 20 29.061 4.869 15.240 1.00 9.72 C ATOM 153 CZ PHE A 20 28.628 6.146 14.898 1.00 11.40 C ATOM 0 H PHE A 20 31.471 4.074 18.902 1.00 8.62 H new ATOM 0 HA PHE A 20 30.321 6.420 19.669 1.00 10.78 H new ATOM 0 HB2 PHE A 20 28.868 4.039 19.115 1.00 6.73 H new ATOM 0 HB3 PHE A 20 28.213 5.387 19.546 1.00 6.73 H new ATOM 0 HD1 PHE A 20 28.122 7.273 17.903 1.00 13.33 H new ATOM 0 HD2 PHE A 20 29.426 3.643 16.805 1.00 10.69 H new ATOM 0 HE1 PHE A 20 27.984 7.903 15.672 1.00 10.21 H new ATOM 0 HE2 PHE A 20 29.298 4.264 14.575 1.00 9.72 H new ATOM 0 HZ PHE A 20 28.574 6.396 14.004 1.00 11.40 H new ATOM 154 N PRO A 21 31.231 5.583 21.912 1.00 11.67 N ATOM 155 CA PRO A 21 31.427 5.202 23.313 1.00 9.87 C ATOM 156 C PRO A 21 30.158 5.121 24.158 1.00 10.04 C ATOM 157 O PRO A 21 30.120 4.407 25.161 1.00 9.66 O ATOM 158 CB PRO A 21 32.419 6.254 23.828 1.00 12.36 C ATOM 159 CG PRO A 21 32.189 7.432 22.920 1.00 15.60 C ATOM 160 CD PRO A 21 32.024 6.780 21.577 1.00 14.03 C ATOM 0 HA PRO A 21 31.752 4.291 23.382 1.00 9.87 H new ATOM 0 HB2 PRO A 21 32.249 6.480 24.756 1.00 12.36 H new ATOM 0 HB3 PRO A 21 33.334 5.937 23.776 1.00 12.36 H new ATOM 0 HG2 PRO A 21 31.401 7.937 23.176 1.00 15.60 H new ATOM 0 HG3 PRO A 21 32.937 8.049 22.932 1.00 15.60 H new ATOM 0 HD2 PRO A 21 31.563 7.357 20.948 1.00 14.03 H new ATOM 0 HD3 PRO A 21 32.878 6.550 21.178 1.00 14.03 H new ATOM 161 N ILE A 22 29.117 5.841 23.753 1.00 10.26 N ATOM 162 CA ILE A 22 27.865 5.819 24.501 1.00 8.64 C ATOM 163 C ILE A 22 27.225 4.428 24.439 1.00 8.99 C ATOM 164 O ILE A 22 26.247 4.151 25.131 1.00 6.96 O ATOM 165 CB ILE A 22 26.877 6.884 23.963 1.00 9.36 C ATOM 166 CG1 ILE A 22 25.746 7.095 24.973 1.00 9.30 C ATOM 167 CG2 ILE A 22 26.323 6.455 22.607 1.00 6.90 C ATOM 168 CD1 ILE A 22 24.859 8.286 24.669 1.00 10.94 C ATOM 0 H ILE A 22 29.114 6.344 23.055 1.00 10.26 H new ATOM 0 HA ILE A 22 28.067 6.030 25.426 1.00 8.64 H new ATOM 0 HB ILE A 22 27.346 7.724 23.843 1.00 9.36 H new ATOM 0 HG12 ILE A 22 25.198 6.295 25.002 1.00 9.30 H new ATOM 0 HG13 ILE A 22 26.131 7.208 25.856 1.00 9.30 H new ATOM 0 HG21 ILE A 22 25.706 7.129 22.281 1.00 6.90 H new ATOM 0 HG22 ILE A 22 27.053 6.353 21.976 1.00 6.90 H new ATOM 0 HG23 ILE A 22 25.857 5.609 22.700 1.00 6.90 H new ATOM 0 HD11 ILE A 22 24.169 8.357 25.347 1.00 10.94 H new ATOM 0 HD12 ILE A 22 25.394 9.095 24.666 1.00 10.94 H new ATOM 0 HD13 ILE A 22 24.446 8.169 23.799 1.00 10.94 H new ATOM 169 N ALA A 23 27.794 3.552 23.612 1.00 7.84 N ATOM 170 CA ALA A 23 27.295 2.184 23.466 1.00 8.96 C ATOM 171 C ALA A 23 27.356 1.419 24.792 1.00 7.56 C ATOM 172 O ALA A 23 26.662 0.415 24.980 1.00 7.64 O ATOM 173 CB ALA A 23 28.110 1.444 22.403 1.00 8.53 C ATOM 0 H ALA A 23 28.477 3.732 23.122 1.00 7.84 H new ATOM 0 HA ALA A 23 26.366 2.233 23.191 1.00 8.96 H new ATOM 0 HB1 ALA A 23 27.775 0.538 22.311 1.00 8.53 H new ATOM 0 HB2 ALA A 23 28.030 1.906 21.554 1.00 8.53 H new ATOM 0 HB3 ALA A 23 29.042 1.418 22.670 1.00 8.53 H new ATOM 174 N LYS A 24 28.207 1.881 25.701 1.00 7.91 N ATOM 175 CA LYS A 24 28.343 1.249 27.009 1.00 7.71 C ATOM 176 C LYS A 24 27.765 2.205 28.048 1.00 10.47 C ATOM 177 O LYS A 24 28.183 2.201 29.205 1.00 7.47 O ATOM 178 CB LYS A 24 29.823 0.986 27.325 1.00 12.36 C ATOM 179 CG LYS A 24 30.518 -0.010 26.396 1.00 14.48 C ATOM 180 CD LYS A 24 31.989 -0.160 26.774 1.00 18.98 C ATOM 181 CE LYS A 24 32.726 -1.138 25.864 1.00 21.30 C ATOM 182 NZ LYS A 24 32.313 -2.555 26.075 1.00 22.46 N ATOM 0 H LYS A 24 28.717 2.563 25.580 1.00 7.91 H new ATOM 0 HA LYS A 24 27.874 0.400 27.018 1.00 7.71 H new ATOM 0 HB2 LYS A 24 30.302 1.829 27.289 1.00 12.36 H new ATOM 0 HB3 LYS A 24 29.892 0.660 28.236 1.00 12.36 H new ATOM 0 HG2 LYS A 24 30.076 -0.872 26.448 1.00 14.48 H new ATOM 0 HG3 LYS A 24 30.444 0.291 25.477 1.00 14.48 H new ATOM 0 HD2 LYS A 24 32.422 0.707 26.731 1.00 18.98 H new ATOM 0 HD3 LYS A 24 32.055 -0.464 27.693 1.00 18.98 H new ATOM 0 HE2 LYS A 24 32.566 -0.894 24.939 1.00 21.30 H new ATOM 0 HE3 LYS A 24 33.680 -1.058 26.018 1.00 21.30 H new ATOM 0 HZ1 LYS A 24 32.770 -3.083 25.523 1.00 22.46 H new ATOM 0 HZ2 LYS A 24 32.480 -2.791 26.917 1.00 22.46 H new ATOM 0 HZ3 LYS A 24 31.442 -2.638 25.911 1.00 22.46 H new ATOM 183 N GLY A 25 26.790 3.008 27.622 1.00 9.00 N ATOM 184 CA GLY A 25 26.180 4.004 28.491 1.00 10.95 C ATOM 185 C GLY A 25 25.264 3.583 29.628 1.00 8.57 C ATOM 186 O GLY A 25 25.076 2.399 29.910 1.00 7.44 O ATOM 0 H GLY A 25 26.467 2.988 26.825 1.00 9.00 H new ATOM 0 HA2 GLY A 25 26.901 4.522 28.882 1.00 10.95 H new ATOM 0 HA3 GLY A 25 25.673 4.606 27.924 1.00 10.95 H new ATOM 187 N GLU A 26 24.684 4.594 30.272 1.00 8.36 N ATOM 188 CA GLU A 26 23.793 4.429 31.417 1.00 9.46 C ATOM 189 C GLU A 26 22.377 3.947 31.106 1.00 9.34 C ATOM 190 O GLU A 26 21.711 3.384 31.977 1.00 7.66 O ATOM 191 CB GLU A 26 23.713 5.751 32.187 1.00 16.21 C ATOM 192 CG GLU A 26 22.832 5.700 33.430 1.00 20.63 C ATOM 193 CD GLU A 26 21.636 6.633 33.340 1.00 26.63 C ATOM 194 OE1 GLU A 26 20.876 6.542 32.354 1.00 16.52 O ATOM 195 OE2 GLU A 26 21.457 7.461 34.261 1.00 36.81 O ATOM 0 H GLU A 26 24.801 5.416 30.048 1.00 8.36 H new ATOM 0 HA GLU A 26 24.191 3.716 31.941 1.00 9.46 H new ATOM 0 HB2 GLU A 26 24.609 6.015 32.449 1.00 16.21 H new ATOM 0 HB3 GLU A 26 23.376 6.440 31.593 1.00 16.21 H new ATOM 0 HG2 GLU A 26 22.519 4.791 33.563 1.00 20.63 H new ATOM 0 HG3 GLU A 26 23.362 5.934 34.208 1.00 20.63 H new ATOM 196 N ARG A 27 21.910 4.163 29.880 1.00 7.01 N ATOM 197 CA ARG A 27 20.553 3.745 29.517 1.00 6.26 C ATOM 198 C ARG A 27 20.440 3.270 28.068 1.00 7.57 C ATOM 199 O ARG A 27 19.702 3.846 27.268 1.00 6.21 O ATOM 200 CB ARG A 27 19.567 4.900 29.776 1.00 4.95 C ATOM 201 CG ARG A 27 20.029 6.242 29.219 1.00 7.05 C ATOM 202 CD ARG A 27 19.012 7.361 29.452 1.00 8.76 C ATOM 203 NE ARG A 27 17.866 7.287 28.546 1.00 11.13 N ATOM 204 CZ ARG A 27 16.858 8.155 28.548 1.00 11.72 C ATOM 205 NH1 ARG A 27 16.849 9.162 29.413 1.00 6.98 N ATOM 206 NH2 ARG A 27 15.864 8.026 27.677 1.00 9.89 N ATOM 0 H ARG A 27 22.353 4.544 29.249 1.00 7.01 H new ATOM 0 HA ARG A 27 20.330 2.984 30.076 1.00 6.26 H new ATOM 0 HB2 ARG A 27 18.709 4.675 29.384 1.00 4.95 H new ATOM 0 HB3 ARG A 27 19.428 4.987 30.732 1.00 4.95 H new ATOM 0 HG2 ARG A 27 20.872 6.486 29.631 1.00 7.05 H new ATOM 0 HG3 ARG A 27 20.194 6.153 28.267 1.00 7.05 H new ATOM 0 HD2 ARG A 27 18.697 7.320 30.368 1.00 8.76 H new ATOM 0 HD3 ARG A 27 19.451 8.219 29.341 1.00 8.76 H new ATOM 0 HE ARG A 27 17.842 6.643 27.977 1.00 11.13 H new ATOM 0 HH11 ARG A 27 17.495 9.254 29.973 1.00 6.98 H new ATOM 0 HH12 ARG A 27 16.197 9.723 29.413 1.00 6.98 H new ATOM 0 HH21 ARG A 27 15.871 7.380 27.109 1.00 9.89 H new ATOM 0 HH22 ARG A 27 15.214 8.589 27.680 1.00 9.89 H new ATOM 207 N GLN A 28 21.166 2.204 27.742 1.00 5.81 N ATOM 208 CA GLN A 28 21.162 1.651 26.390 1.00 7.28 C ATOM 209 C GLN A 28 20.034 0.659 26.115 1.00 7.17 C ATOM 210 O GLN A 28 19.542 -0.016 27.021 1.00 5.54 O ATOM 211 CB GLN A 28 22.510 0.986 26.103 1.00 6.87 C ATOM 212 CG GLN A 28 23.644 1.983 25.952 1.00 5.54 C ATOM 213 CD GLN A 28 23.532 2.789 24.668 1.00 8.40 C ATOM 214 OE1 GLN A 28 23.706 2.251 23.569 1.00 7.82 O ATOM 215 NE2 GLN A 28 23.230 4.079 24.798 1.00 4.95 N ATOM 0 H GLN A 28 21.672 1.783 28.295 1.00 5.81 H new ATOM 0 HA GLN A 28 21.008 2.402 25.796 1.00 7.28 H new ATOM 0 HB2 GLN A 28 22.721 0.371 26.823 1.00 6.87 H new ATOM 0 HB3 GLN A 28 22.439 0.460 25.291 1.00 6.87 H new ATOM 0 HG2 GLN A 28 23.646 2.586 26.712 1.00 5.54 H new ATOM 0 HG3 GLN A 28 24.491 1.511 25.963 1.00 5.54 H new ATOM 0 HE21 GLN A 28 23.116 4.417 25.580 1.00 4.95 H new ATOM 0 HE22 GLN A 28 23.149 4.574 24.100 1.00 4.95 H new ATOM 216 N SER A 29 19.636 0.589 24.847 1.00 4.95 N ATOM 217 CA SER A 29 18.571 -0.309 24.393 1.00 5.01 C ATOM 218 C SER A 29 19.094 -1.185 23.255 1.00 5.75 C ATOM 219 O SER A 29 20.067 -0.832 22.588 1.00 4.95 O ATOM 220 CB SER A 29 17.367 0.499 23.892 1.00 6.25 C ATOM 221 OG SER A 29 16.787 1.269 24.933 1.00 4.95 O ATOM 0 H SER A 29 19.979 1.065 24.218 1.00 4.95 H new ATOM 0 HA SER A 29 18.293 -0.864 25.138 1.00 5.01 H new ATOM 0 HB2 SER A 29 17.647 1.085 23.172 1.00 6.25 H new ATOM 0 HB3 SER A 29 16.702 -0.104 23.525 1.00 6.25 H new ATOM 0 HG SER A 29 16.062 1.599 24.667 1.00 4.95 H new ATOM 222 N PRO A 30 18.456 -2.344 23.017 1.00 4.95 N ATOM 223 CA PRO A 30 17.296 -2.881 23.732 1.00 4.95 C ATOM 224 C PRO A 30 17.712 -3.572 25.029 1.00 4.95 C ATOM 225 O PRO A 30 18.896 -3.631 25.357 1.00 6.87 O ATOM 226 CB PRO A 30 16.714 -3.866 22.727 1.00 5.69 C ATOM 227 CG PRO A 30 17.967 -4.455 22.129 1.00 4.95 C ATOM 228 CD PRO A 30 18.846 -3.240 21.910 1.00 4.95 C ATOM 0 HA PRO A 30 16.663 -2.201 24.010 1.00 4.95 H new ATOM 0 HB2 PRO A 30 16.161 -4.539 23.153 1.00 5.69 H new ATOM 0 HB3 PRO A 30 16.163 -3.426 22.061 1.00 5.69 H new ATOM 0 HG2 PRO A 30 18.383 -5.096 22.727 1.00 4.95 H new ATOM 0 HG3 PRO A 30 17.784 -4.920 21.298 1.00 4.95 H new ATOM 0 HD2 PRO A 30 19.788 -3.467 21.947 1.00 4.95 H new ATOM 0 HD3 PRO A 30 18.686 -2.832 21.045 1.00 4.95 H new ATOM 229 N VAL A 31 16.726 -4.092 25.757 1.00 5.25 N ATOM 230 CA VAL A 31 16.970 -4.803 27.008 1.00 4.95 C ATOM 231 C VAL A 31 16.036 -6.004 27.081 1.00 6.26 C ATOM 232 O VAL A 31 15.068 -6.098 26.322 1.00 7.03 O ATOM 233 CB VAL A 31 16.682 -3.918 28.257 1.00 5.91 C ATOM 234 CG1 VAL A 31 17.542 -2.660 28.233 1.00 5.72 C ATOM 235 CG2 VAL A 31 15.201 -3.557 28.317 1.00 7.65 C ATOM 0 H VAL A 31 15.896 -4.042 25.538 1.00 5.25 H new ATOM 0 HA VAL A 31 17.905 -5.061 27.015 1.00 4.95 H new ATOM 0 HB VAL A 31 16.909 -4.423 29.053 1.00 5.91 H new ATOM 0 HG11 VAL A 31 17.350 -2.122 29.017 1.00 5.72 H new ATOM 0 HG12 VAL A 31 18.480 -2.909 28.234 1.00 5.72 H new ATOM 0 HG13 VAL A 31 17.345 -2.148 27.433 1.00 5.72 H new ATOM 0 HG21 VAL A 31 15.033 -3.006 29.098 1.00 7.65 H new ATOM 0 HG22 VAL A 31 14.955 -3.067 27.517 1.00 7.65 H new ATOM 0 HG23 VAL A 31 14.672 -4.368 28.374 1.00 7.65 H new ATOM 236 N ASP A 32 16.330 -6.934 27.981 1.00 5.35 N ATOM 237 CA ASP A 32 15.444 -8.074 28.154 1.00 4.96 C ATOM 238 C ASP A 32 14.384 -7.607 29.138 1.00 8.79 C ATOM 239 O ASP A 32 14.700 -6.973 30.154 1.00 9.04 O ATOM 240 CB ASP A 32 16.174 -9.283 28.737 1.00 6.49 C ATOM 241 CG ASP A 32 15.224 -10.428 29.060 1.00 9.94 C ATOM 242 OD1 ASP A 32 14.538 -10.908 28.133 1.00 8.00 O ATOM 243 OD2 ASP A 32 15.157 -10.842 30.240 1.00 10.89 O ATOM 0 H ASP A 32 17.022 -6.925 28.491 1.00 5.35 H new ATOM 0 HA ASP A 32 15.079 -8.355 27.301 1.00 4.96 H new ATOM 0 HB2 ASP A 32 16.844 -9.589 28.106 1.00 6.49 H new ATOM 0 HB3 ASP A 32 16.644 -9.017 29.543 1.00 6.49 H new ATOM 244 N ILE A 33 13.128 -7.895 28.821 1.00 5.34 N ATOM 245 CA ILE A 33 12.018 -7.524 29.683 1.00 6.64 C ATOM 246 C ILE A 33 11.662 -8.725 30.552 1.00 7.92 C ATOM 247 O ILE A 33 11.070 -9.693 30.072 1.00 5.43 O ATOM 248 CB ILE A 33 10.770 -7.109 28.855 1.00 9.05 C ATOM 249 CG1 ILE A 33 11.064 -5.839 28.051 1.00 8.81 C ATOM 250 CG2 ILE A 33 9.588 -6.836 29.783 1.00 7.01 C ATOM 251 CD1 ILE A 33 11.998 -6.040 26.887 1.00 22.81 C ATOM 0 H ILE A 33 12.897 -8.309 28.103 1.00 5.34 H new ATOM 0 HA ILE A 33 12.285 -6.766 30.226 1.00 6.64 H new ATOM 0 HB ILE A 33 10.553 -7.836 28.251 1.00 9.05 H new ATOM 0 HG12 ILE A 33 10.227 -5.478 27.721 1.00 8.81 H new ATOM 0 HG13 ILE A 33 11.445 -5.174 28.646 1.00 8.81 H new ATOM 0 HG21 ILE A 33 8.816 -6.578 29.256 1.00 7.01 H new ATOM 0 HG22 ILE A 33 9.381 -7.638 30.288 1.00 7.01 H new ATOM 0 HG23 ILE A 33 9.816 -6.119 30.395 1.00 7.01 H new ATOM 0 HD11 ILE A 33 12.134 -5.195 26.431 1.00 22.81 H new ATOM 0 HD12 ILE A 33 12.850 -6.373 27.209 1.00 22.81 H new ATOM 0 HD13 ILE A 33 11.613 -6.682 26.270 1.00 22.81 H new ATOM 252 N ASP A 34 12.055 -8.677 31.823 1.00 6.29 N ATOM 253 CA ASP A 34 11.744 -9.766 32.745 1.00 8.95 C ATOM 254 C ASP A 34 10.339 -9.460 33.257 1.00 9.63 C ATOM 255 O ASP A 34 10.153 -8.592 34.109 1.00 9.70 O ATOM 256 CB ASP A 34 12.747 -9.794 33.901 1.00 12.29 C ATOM 257 CG ASP A 34 12.602 -11.033 34.767 1.00 17.36 C ATOM 258 OD1 ASP A 34 12.964 -12.138 34.304 1.00 17.56 O ATOM 259 OD2 ASP A 34 12.118 -10.899 35.906 1.00 20.74 O ATOM 0 H ASP A 34 12.500 -8.027 32.169 1.00 6.29 H new ATOM 0 HA ASP A 34 11.793 -10.634 32.315 1.00 8.95 H new ATOM 0 HB2 ASP A 34 13.648 -9.756 33.544 1.00 12.29 H new ATOM 0 HB3 ASP A 34 12.626 -9.003 34.450 1.00 12.29 H new ATOM 260 N THR A 35 9.354 -10.170 32.715 1.00 8.10 N ATOM 261 CA THR A 35 7.957 -9.947 33.059 1.00 11.39 C ATOM 262 C THR A 35 7.617 -10.040 34.538 1.00 11.59 C ATOM 263 O THR A 35 6.636 -9.451 34.985 1.00 9.30 O ATOM 264 CB THR A 35 7.039 -10.920 32.291 1.00 13.04 C ATOM 265 OG1 THR A 35 7.314 -12.267 32.699 1.00 10.48 O ATOM 266 CG2 THR A 35 7.271 -10.790 30.790 1.00 12.44 C ATOM 0 H THR A 35 9.479 -10.795 32.137 1.00 8.10 H new ATOM 0 HA THR A 35 7.803 -9.025 32.799 1.00 11.39 H new ATOM 0 HB THR A 35 6.115 -10.700 32.490 1.00 13.04 H new ATOM 0 HG1 THR A 35 7.565 -12.716 32.035 1.00 10.48 H new ATOM 0 HG21 THR A 35 6.689 -11.406 30.318 1.00 12.44 H new ATOM 0 HG22 THR A 35 7.076 -9.882 30.510 1.00 12.44 H new ATOM 0 HG23 THR A 35 8.196 -10.999 30.586 1.00 12.44 H new ATOM 267 N HIS A 36 8.429 -10.769 35.297 1.00 10.00 N ATOM 268 CA HIS A 36 8.176 -10.939 36.721 1.00 9.17 C ATOM 269 C HIS A 36 8.929 -9.947 37.605 1.00 10.02 C ATOM 270 O HIS A 36 8.882 -10.037 38.832 1.00 9.72 O ATOM 271 CB HIS A 36 8.493 -12.382 37.118 1.00 9.65 C ATOM 272 CG HIS A 36 7.633 -13.392 36.420 1.00 9.83 C ATOM 273 ND1 HIS A 36 7.891 -14.216 35.376 1.00 14.13 N flip ATOM 274 CD2 HIS A 36 6.310 -13.597 36.749 1.00 10.92 C flip ATOM 275 CE1 HIS A 36 6.728 -14.893 35.095 1.00 6.34 C flip ATOM 276 NE2 HIS A 36 5.790 -14.502 35.938 1.00 14.00 N flip ATOM 0 H HIS A 36 9.131 -11.173 35.006 1.00 10.00 H new ATOM 0 HA HIS A 36 7.237 -10.749 36.871 1.00 9.17 H new ATOM 0 HB2 HIS A 36 9.424 -12.568 36.921 1.00 9.65 H new ATOM 0 HB3 HIS A 36 8.381 -12.479 38.077 1.00 9.65 H new ATOM 0 HD2 HIS A 36 5.854 -13.165 37.435 1.00 10.92 H new ATOM 0 HE1 HIS A 36 6.620 -15.524 34.421 1.00 6.34 H new ATOM 0 HE2 HIS A 36 4.979 -14.787 35.956 1.00 14.00 H new ATOM 277 N THR A 37 9.607 -8.992 36.973 1.00 8.68 N ATOM 278 CA THR A 37 10.344 -7.961 37.698 1.00 8.76 C ATOM 279 C THR A 37 9.737 -6.589 37.394 1.00 9.21 C ATOM 280 O THR A 37 9.935 -5.629 38.143 1.00 9.52 O ATOM 281 CB THR A 37 11.840 -7.958 37.309 1.00 11.52 C ATOM 282 OG1 THR A 37 12.423 -9.214 37.676 1.00 22.36 O ATOM 283 CG2 THR A 37 12.586 -6.840 38.027 1.00 17.59 C ATOM 0 H THR A 37 9.653 -8.924 36.117 1.00 8.68 H new ATOM 0 HA THR A 37 10.277 -8.153 38.646 1.00 8.76 H new ATOM 0 HB THR A 37 11.910 -7.816 36.352 1.00 11.52 H new ATOM 0 HG1 THR A 37 12.046 -9.833 37.252 1.00 22.36 H new ATOM 0 HG21 THR A 37 13.521 -6.857 37.769 1.00 17.59 H new ATOM 0 HG22 THR A 37 12.199 -5.984 37.784 1.00 17.59 H new ATOM 0 HG23 THR A 37 12.514 -6.966 38.986 1.00 17.59 H new ATOM 284 N ALA A 38 8.998 -6.498 36.291 1.00 10.12 N ATOM 285 CA ALA A 38 8.355 -5.240 35.916 1.00 7.83 C ATOM 286 C ALA A 38 7.273 -4.919 36.948 1.00 9.38 C ATOM 287 O ALA A 38 6.616 -5.815 37.468 1.00 9.25 O ATOM 288 CB ALA A 38 7.744 -5.354 34.532 1.00 11.32 C ATOM 0 H ALA A 38 8.857 -7.150 35.748 1.00 10.12 H new ATOM 0 HA ALA A 38 9.013 -4.528 35.897 1.00 7.83 H new ATOM 0 HB1 ALA A 38 7.321 -4.514 34.295 1.00 11.32 H new ATOM 0 HB2 ALA A 38 8.439 -5.559 33.887 1.00 11.32 H new ATOM 0 HB3 ALA A 38 7.081 -6.062 34.528 1.00 11.32 H new ATOM 289 N LYS A 39 7.092 -3.636 37.239 1.00 8.22 N ATOM 290 CA LYS A 39 6.114 -3.197 38.229 1.00 9.59 C ATOM 291 C LYS A 39 4.880 -2.538 37.619 1.00 10.88 C ATOM 292 O LYS A 39 4.995 -1.610 36.819 1.00 9.22 O ATOM 293 CB LYS A 39 6.786 -2.213 39.194 1.00 10.34 C ATOM 294 CG LYS A 39 5.856 -1.542 40.200 1.00 14.08 C ATOM 295 CD LYS A 39 5.340 -2.514 41.250 1.00 17.75 C ATOM 296 CE LYS A 39 4.600 -1.773 42.361 1.00 22.45 C ATOM 297 NZ LYS A 39 4.143 -2.689 43.444 1.00 20.98 N ATOM 0 H LYS A 39 7.531 -2.996 36.869 1.00 8.22 H new ATOM 0 HA LYS A 39 5.805 -3.992 38.691 1.00 9.59 H new ATOM 0 HB2 LYS A 39 7.479 -2.685 39.682 1.00 10.34 H new ATOM 0 HB3 LYS A 39 7.226 -1.523 38.673 1.00 10.34 H new ATOM 0 HG2 LYS A 39 6.327 -0.816 40.638 1.00 14.08 H new ATOM 0 HG3 LYS A 39 5.104 -1.149 39.730 1.00 14.08 H new ATOM 0 HD2 LYS A 39 4.746 -3.159 40.835 1.00 17.75 H new ATOM 0 HD3 LYS A 39 6.082 -3.013 41.627 1.00 17.75 H new ATOM 0 HE2 LYS A 39 5.182 -1.095 42.738 1.00 22.45 H new ATOM 0 HE3 LYS A 39 3.834 -1.312 41.985 1.00 22.45 H new ATOM 0 HZ1 LYS A 39 3.620 -2.243 44.009 1.00 20.98 H new ATOM 0 HZ2 LYS A 39 3.686 -3.365 43.088 1.00 20.98 H new ATOM 0 HZ3 LYS A 39 4.850 -3.007 43.882 1.00 20.98 H new ATOM 298 N TYR A 40 3.701 -3.019 37.996 1.00 11.01 N ATOM 299 CA TYR A 40 2.463 -2.424 37.505 1.00 13.77 C ATOM 300 C TYR A 40 2.398 -1.001 38.055 1.00 14.35 C ATOM 301 O TYR A 40 2.593 -0.783 39.253 1.00 14.50 O ATOM 302 CB TYR A 40 1.246 -3.213 37.996 1.00 14.97 C ATOM 303 CG TYR A 40 -0.059 -2.479 37.777 1.00 16.65 C ATOM 304 CD1 TYR A 40 -0.480 -2.135 36.492 1.00 15.41 C ATOM 305 CD2 TYR A 40 -0.851 -2.088 38.857 1.00 19.06 C ATOM 306 CE1 TYR A 40 -1.658 -1.414 36.286 1.00 18.36 C ATOM 307 CE2 TYR A 40 -2.031 -1.367 38.663 1.00 20.71 C ATOM 308 CZ TYR A 40 -2.426 -1.033 37.375 1.00 21.67 C ATOM 309 OH TYR A 40 -3.589 -0.317 37.178 1.00 23.21 O ATOM 0 H TYR A 40 3.595 -3.684 38.531 1.00 11.01 H new ATOM 0 HA TYR A 40 2.452 -2.432 36.535 1.00 13.77 H new ATOM 0 HB2 TYR A 40 1.213 -4.067 37.536 1.00 14.97 H new ATOM 0 HB3 TYR A 40 1.350 -3.404 38.941 1.00 14.97 H new ATOM 0 HD1 TYR A 40 0.033 -2.390 35.760 1.00 15.41 H new ATOM 0 HD2 TYR A 40 -0.589 -2.311 39.721 1.00 19.06 H new ATOM 0 HE1 TYR A 40 -1.925 -1.191 35.424 1.00 18.36 H new ATOM 0 HE2 TYR A 40 -2.549 -1.112 39.392 1.00 20.71 H new ATOM 0 HH TYR A 40 -3.949 -0.157 37.920 1.00 23.21 H new ATOM 310 N ASP A 41 2.122 -0.038 37.183 1.00 16.35 N ATOM 311 CA ASP A 41 2.050 1.360 37.587 1.00 18.37 C ATOM 312 C ASP A 41 0.642 1.897 37.351 1.00 21.34 C ATOM 313 O ASP A 41 0.259 2.192 36.218 1.00 18.93 O ATOM 314 CB ASP A 41 3.057 2.187 36.785 1.00 20.68 C ATOM 315 CG ASP A 41 3.292 3.557 37.383 1.00 25.94 C ATOM 316 OD1 ASP A 41 2.321 4.161 37.880 1.00 26.21 O ATOM 317 OD2 ASP A 41 4.446 4.033 37.350 1.00 31.54 O ATOM 0 H ASP A 41 1.972 -0.175 36.347 1.00 16.35 H new ATOM 0 HA ASP A 41 2.263 1.426 38.531 1.00 18.37 H new ATOM 0 HB2 ASP A 41 3.900 1.709 36.739 1.00 20.68 H new ATOM 0 HB3 ASP A 41 2.737 2.286 35.875 1.00 20.68 H new ATOM 318 N PRO A 42 -0.150 2.032 38.426 1.00 23.49 N ATOM 319 CA PRO A 42 -1.522 2.535 38.318 1.00 24.00 C ATOM 320 C PRO A 42 -1.635 4.011 37.945 1.00 23.77 C ATOM 321 O PRO A 42 -2.721 4.485 37.614 1.00 28.72 O ATOM 322 CB PRO A 42 -2.103 2.234 39.697 1.00 26.51 C ATOM 323 CG PRO A 42 -0.918 2.402 40.591 1.00 25.19 C ATOM 324 CD PRO A 42 0.171 1.682 39.821 1.00 25.32 C ATOM 0 HA PRO A 42 -2.001 2.111 37.589 1.00 24.00 H new ATOM 0 HB2 PRO A 42 -2.819 2.846 39.928 1.00 26.51 H new ATOM 0 HB3 PRO A 42 -2.469 1.337 39.747 1.00 26.51 H new ATOM 0 HG2 PRO A 42 -0.702 3.337 40.734 1.00 25.19 H new ATOM 0 HG3 PRO A 42 -1.065 2.007 41.465 1.00 25.19 H new ATOM 0 HD2 PRO A 42 1.056 1.986 40.076 1.00 25.32 H new ATOM 0 HD3 PRO A 42 0.146 0.724 39.969 1.00 25.32 H new ATOM 325 N SER A 43 -0.521 4.737 37.993 1.00 27.91 N ATOM 326 CA SER A 43 -0.538 6.160 37.657 1.00 28.22 C ATOM 327 C SER A 43 -0.438 6.399 36.150 1.00 29.20 C ATOM 328 O SER A 43 -0.789 7.475 35.660 1.00 29.34 O ATOM 329 CB SER A 43 0.596 6.902 38.378 1.00 27.89 C ATOM 330 OG SER A 43 1.870 6.561 37.859 1.00 32.97 O ATOM 0 H SER A 43 0.250 4.428 38.216 1.00 27.91 H new ATOM 0 HA SER A 43 -1.392 6.509 37.956 1.00 28.22 H new ATOM 0 HB2 SER A 43 0.459 7.859 38.294 1.00 27.89 H new ATOM 0 HB3 SER A 43 0.567 6.693 39.325 1.00 27.89 H new ATOM 0 HG SER A 43 1.870 5.755 37.622 1.00 32.97 H new ATOM 331 N LEU A 44 0.040 5.398 35.417 1.00 25.64 N ATOM 332 CA LEU A 44 0.159 5.520 33.968 1.00 23.37 C ATOM 333 C LEU A 44 -1.220 5.777 33.375 1.00 24.17 C ATOM 334 O LEU A 44 -2.173 5.064 33.680 1.00 27.41 O ATOM 335 CB LEU A 44 0.729 4.235 33.365 1.00 17.31 C ATOM 336 CG LEU A 44 2.192 3.886 33.630 1.00 15.57 C ATOM 337 CD1 LEU A 44 2.447 2.453 33.214 1.00 15.63 C ATOM 338 CD2 LEU A 44 3.096 4.833 32.863 1.00 13.69 C ATOM 0 H LEU A 44 0.300 4.643 35.737 1.00 25.64 H new ATOM 0 HA LEU A 44 0.758 6.255 33.764 1.00 23.37 H new ATOM 0 HB2 LEU A 44 0.188 3.496 33.683 1.00 17.31 H new ATOM 0 HB3 LEU A 44 0.607 4.282 32.404 1.00 17.31 H new ATOM 0 HG LEU A 44 2.384 3.979 34.576 1.00 15.57 H new ATOM 0 HD11 LEU A 44 3.376 2.228 33.381 1.00 15.63 H new ATOM 0 HD12 LEU A 44 1.874 1.861 33.725 1.00 15.63 H new ATOM 0 HD13 LEU A 44 2.255 2.351 32.269 1.00 15.63 H new ATOM 0 HD21 LEU A 44 4.023 4.606 33.035 1.00 13.69 H new ATOM 0 HD22 LEU A 44 2.916 4.755 31.913 1.00 13.69 H new ATOM 0 HD23 LEU A 44 2.928 5.744 33.149 1.00 13.69 H new ATOM 339 N LYS A 45 -1.325 6.800 32.533 1.00 27.37 N ATOM 340 CA LYS A 45 -2.592 7.131 31.892 1.00 23.52 C ATOM 341 C LYS A 45 -2.767 6.240 30.669 1.00 21.73 C ATOM 342 O LYS A 45 -1.808 5.640 30.186 1.00 19.92 O ATOM 343 CB LYS A 45 -2.603 8.599 31.454 1.00 26.28 C ATOM 344 CG LYS A 45 -2.477 9.595 32.595 1.00 31.82 C ATOM 345 CD LYS A 45 -2.503 11.041 32.100 1.00 34.60 C ATOM 346 CE LYS A 45 -3.841 11.415 31.459 1.00 35.24 C ATOM 347 NZ LYS A 45 -4.088 10.721 30.158 1.00 36.94 N ATOM 0 H LYS A 45 -0.671 7.316 32.319 1.00 27.37 H new ATOM 0 HA LYS A 45 -3.316 6.989 32.521 1.00 23.52 H new ATOM 0 HB2 LYS A 45 -1.875 8.745 30.830 1.00 26.28 H new ATOM 0 HB3 LYS A 45 -3.427 8.776 30.974 1.00 26.28 H new ATOM 0 HG2 LYS A 45 -3.201 9.457 33.225 1.00 31.82 H new ATOM 0 HG3 LYS A 45 -1.649 9.433 33.074 1.00 31.82 H new ATOM 0 HD2 LYS A 45 -2.326 11.638 32.844 1.00 34.60 H new ATOM 0 HD3 LYS A 45 -1.791 11.172 31.455 1.00 34.60 H new ATOM 0 HE2 LYS A 45 -4.559 11.200 32.075 1.00 35.24 H new ATOM 0 HE3 LYS A 45 -3.868 12.374 31.317 1.00 35.24 H new ATOM 0 HZ1 LYS A 45 -4.397 11.306 29.563 1.00 36.94 H new ATOM 0 HZ2 LYS A 45 -3.327 10.369 29.860 1.00 36.94 H new ATOM 0 HZ3 LYS A 45 -4.688 10.074 30.276 1.00 36.94 H new ATOM 348 N PRO A 46 -3.999 6.131 30.155 1.00 22.45 N ATOM 349 CA PRO A 46 -4.214 5.286 28.976 1.00 21.13 C ATOM 350 C PRO A 46 -3.349 5.742 27.798 1.00 15.54 C ATOM 351 O PRO A 46 -3.098 6.935 27.631 1.00 18.62 O ATOM 352 CB PRO A 46 -5.706 5.461 28.699 1.00 22.48 C ATOM 353 CG PRO A 46 -6.276 5.686 30.071 1.00 24.58 C ATOM 354 CD PRO A 46 -5.277 6.645 30.678 1.00 23.96 C ATOM 0 HA PRO A 46 -3.965 4.359 29.114 1.00 21.13 H new ATOM 0 HB2 PRO A 46 -5.877 6.213 28.111 1.00 22.48 H new ATOM 0 HB3 PRO A 46 -6.088 4.677 28.275 1.00 22.48 H new ATOM 0 HG2 PRO A 46 -7.168 6.066 30.035 1.00 24.58 H new ATOM 0 HG3 PRO A 46 -6.340 4.861 30.577 1.00 24.58 H new ATOM 0 HD2 PRO A 46 -5.440 7.561 30.403 1.00 23.96 H new ATOM 0 HD3 PRO A 46 -5.304 6.631 31.648 1.00 23.96 H new ATOM 355 N LEU A 47 -2.884 4.791 26.995 1.00 16.83 N ATOM 356 CA LEU A 47 -2.065 5.112 25.828 1.00 14.40 C ATOM 357 C LEU A 47 -3.007 5.541 24.701 1.00 16.04 C ATOM 358 O LEU A 47 -4.034 4.901 24.464 1.00 14.04 O ATOM 359 CB LEU A 47 -1.257 3.884 25.397 1.00 16.01 C ATOM 360 CG LEU A 47 -0.124 4.048 24.374 1.00 17.01 C ATOM 361 CD1 LEU A 47 0.472 2.686 24.076 1.00 12.60 C ATOM 362 CD2 LEU A 47 -0.637 4.674 23.095 1.00 22.62 C ATOM 0 H LEU A 47 -3.031 3.951 27.108 1.00 16.83 H new ATOM 0 HA LEU A 47 -1.441 5.824 26.039 1.00 14.40 H new ATOM 0 HB2 LEU A 47 -0.872 3.493 26.197 1.00 16.01 H new ATOM 0 HB3 LEU A 47 -1.882 3.236 25.037 1.00 16.01 H new ATOM 0 HG LEU A 47 0.554 4.634 24.746 1.00 17.01 H new ATOM 0 HD11 LEU A 47 1.189 2.781 23.430 1.00 12.60 H new ATOM 0 HD12 LEU A 47 0.823 2.300 24.894 1.00 12.60 H new ATOM 0 HD13 LEU A 47 -0.214 2.104 23.713 1.00 12.60 H new ATOM 0 HD21 LEU A 47 0.094 4.768 22.465 1.00 22.62 H new ATOM 0 HD22 LEU A 47 -1.324 4.108 22.710 1.00 22.62 H new ATOM 0 HD23 LEU A 47 -1.010 5.548 23.289 1.00 22.62 H new ATOM 363 N SER A 48 -2.653 6.622 24.011 1.00 12.28 N ATOM 364 CA SER A 48 -3.468 7.139 22.920 1.00 10.90 C ATOM 365 C SER A 48 -2.719 7.186 21.594 1.00 11.91 C ATOM 366 O SER A 48 -1.806 7.990 21.415 1.00 12.38 O ATOM 367 CB SER A 48 -3.968 8.544 23.263 1.00 14.05 C ATOM 368 OG SER A 48 -4.666 9.118 22.172 1.00 18.05 O ATOM 0 H SER A 48 -1.937 7.073 24.162 1.00 12.28 H new ATOM 0 HA SER A 48 -4.214 6.528 22.814 1.00 10.90 H new ATOM 0 HB2 SER A 48 -4.550 8.503 24.038 1.00 14.05 H new ATOM 0 HB3 SER A 48 -3.216 9.108 23.503 1.00 14.05 H new ATOM 0 HG SER A 48 -4.127 9.541 21.686 1.00 18.05 H new ATOM 369 N VAL A 49 -3.114 6.317 20.670 1.00 10.51 N ATOM 370 CA VAL A 49 -2.507 6.269 19.344 1.00 12.94 C ATOM 371 C VAL A 49 -3.498 6.922 18.382 1.00 16.14 C ATOM 372 O VAL A 49 -4.565 6.369 18.112 1.00 14.75 O ATOM 373 CB VAL A 49 -2.247 4.808 18.896 1.00 16.59 C ATOM 374 CG1 VAL A 49 -1.555 4.787 17.543 1.00 17.34 C ATOM 375 CG2 VAL A 49 -1.400 4.088 19.934 1.00 19.41 C ATOM 0 H VAL A 49 -3.740 5.740 20.793 1.00 10.51 H new ATOM 0 HA VAL A 49 -1.653 6.728 19.353 1.00 12.94 H new ATOM 0 HB VAL A 49 -3.098 4.349 18.814 1.00 16.59 H new ATOM 0 HG11 VAL A 49 -1.398 3.868 17.274 1.00 17.34 H new ATOM 0 HG12 VAL A 49 -2.117 5.225 16.885 1.00 17.34 H new ATOM 0 HG13 VAL A 49 -0.707 5.255 17.606 1.00 17.34 H new ATOM 0 HG21 VAL A 49 -1.242 3.175 19.646 1.00 19.41 H new ATOM 0 HG22 VAL A 49 -0.551 4.547 20.034 1.00 19.41 H new ATOM 0 HG23 VAL A 49 -1.866 4.082 20.785 1.00 19.41 H new ATOM 376 N SER A 50 -3.155 8.108 17.886 1.00 13.08 N ATOM 377 CA SER A 50 -4.023 8.836 16.963 1.00 14.65 C ATOM 378 C SER A 50 -3.390 8.906 15.579 1.00 14.37 C ATOM 379 O SER A 50 -2.669 9.852 15.275 1.00 9.93 O ATOM 380 CB SER A 50 -4.267 10.255 17.484 1.00 15.40 C ATOM 381 OG SER A 50 -4.831 10.226 18.783 1.00 22.88 O ATOM 0 H SER A 50 -2.419 8.511 18.073 1.00 13.08 H new ATOM 0 HA SER A 50 -4.868 8.364 16.900 1.00 14.65 H new ATOM 0 HB2 SER A 50 -3.430 10.746 17.501 1.00 15.40 H new ATOM 0 HB3 SER A 50 -4.861 10.728 16.880 1.00 15.40 H new ATOM 0 HG SER A 50 -4.222 10.310 19.355 1.00 22.88 H new ATOM 382 N TYR A 51 -3.673 7.908 14.746 1.00 13.52 N ATOM 383 CA TYR A 51 -3.115 7.830 13.396 1.00 12.95 C ATOM 384 C TYR A 51 -4.121 8.087 12.272 1.00 17.43 C ATOM 385 O TYR A 51 -3.837 7.792 11.112 1.00 16.13 O ATOM 386 CB TYR A 51 -2.493 6.449 13.158 1.00 12.04 C ATOM 387 CG TYR A 51 -1.248 6.118 13.965 1.00 10.97 C ATOM 388 CD1 TYR A 51 -0.519 7.112 14.622 1.00 12.32 C ATOM 389 CD2 TYR A 51 -0.766 4.811 14.012 1.00 10.65 C ATOM 390 CE1 TYR A 51 0.667 6.806 15.305 1.00 10.39 C ATOM 391 CE2 TYR A 51 0.415 4.493 14.686 1.00 10.47 C ATOM 392 CZ TYR A 51 1.126 5.493 15.327 1.00 10.23 C ATOM 393 OH TYR A 51 2.302 5.171 15.971 1.00 6.11 O ATOM 0 H TYR A 51 -4.195 7.255 14.947 1.00 13.52 H new ATOM 0 HA TYR A 51 -2.454 8.539 13.361 1.00 12.95 H new ATOM 0 HB2 TYR A 51 -3.166 5.776 13.348 1.00 12.04 H new ATOM 0 HB3 TYR A 51 -2.274 6.373 12.216 1.00 12.04 H new ATOM 0 HD1 TYR A 51 -0.825 7.990 14.606 1.00 12.32 H new ATOM 0 HD2 TYR A 51 -1.242 4.136 13.585 1.00 10.65 H new ATOM 0 HE1 TYR A 51 1.143 7.476 15.740 1.00 10.39 H new ATOM 0 HE2 TYR A 51 0.722 3.615 14.704 1.00 10.47 H new ATOM 0 HH TYR A 51 2.692 5.875 16.211 1.00 6.11 H new ATOM 394 N ASP A 52 -5.284 8.640 12.598 1.00 16.94 N ATOM 395 CA ASP A 52 -6.298 8.883 11.575 1.00 20.37 C ATOM 396 C ASP A 52 -5.859 9.762 10.402 1.00 17.94 C ATOM 397 O ASP A 52 -6.233 9.499 9.260 1.00 20.45 O ATOM 398 CB ASP A 52 -7.560 9.477 12.209 1.00 22.56 C ATOM 399 CG ASP A 52 -8.677 9.680 11.199 1.00 27.83 C ATOM 400 OD1 ASP A 52 -9.009 10.848 10.898 1.00 30.32 O ATOM 401 OD2 ASP A 52 -9.221 8.671 10.700 1.00 28.95 O ATOM 0 H ASP A 52 -5.505 8.879 13.394 1.00 16.94 H new ATOM 0 HA ASP A 52 -6.471 8.008 11.193 1.00 20.37 H new ATOM 0 HB2 ASP A 52 -7.870 8.890 12.916 1.00 22.56 H new ATOM 0 HB3 ASP A 52 -7.342 10.328 12.621 1.00 22.56 H new ATOM 402 N GLN A 53 -5.069 10.796 10.674 1.00 18.52 N ATOM 403 CA GLN A 53 -4.620 11.706 9.621 1.00 17.44 C ATOM 404 C GLN A 53 -3.190 11.461 9.136 1.00 17.24 C ATOM 405 O GLN A 53 -2.574 12.339 8.528 1.00 13.87 O ATOM 406 CB GLN A 53 -4.755 13.154 10.102 1.00 22.81 C ATOM 407 CG GLN A 53 -6.185 13.561 10.427 1.00 26.51 C ATOM 408 CD GLN A 53 -7.078 13.557 9.201 1.00 29.09 C ATOM 409 OE1 GLN A 53 -6.615 14.190 8.127 1.00 30.78 O flip ATOM 410 NE2 GLN A 53 -8.175 12.999 9.220 1.00 30.70 N flip ATOM 0 H GLN A 53 -4.781 10.989 11.461 1.00 18.52 H new ATOM 0 HA GLN A 53 -5.194 11.533 8.858 1.00 17.44 H new ATOM 0 HB2 GLN A 53 -4.205 13.276 10.892 1.00 22.81 H new ATOM 0 HB3 GLN A 53 -4.406 13.747 9.418 1.00 22.81 H new ATOM 0 HG2 GLN A 53 -6.549 12.955 11.091 1.00 26.51 H new ATOM 0 HG3 GLN A 53 -6.185 14.447 10.822 1.00 26.51 H new ATOM 0 HE21 GLN A 53 -8.442 12.599 9.933 1.00 30.70 H new ATOM 0 HE22 GLN A 53 -8.675 13.009 8.520 1.00 30.70 H new ATOM 411 N ALA A 54 -2.673 10.264 9.395 1.00 14.13 N ATOM 412 CA ALA A 54 -1.316 9.907 8.993 1.00 14.81 C ATOM 413 C ALA A 54 -1.099 10.078 7.492 1.00 14.31 C ATOM 414 O ALA A 54 -1.956 9.715 6.681 1.00 15.38 O ATOM 415 CB ALA A 54 -1.018 8.465 9.397 1.00 12.07 C ATOM 0 H ALA A 54 -3.096 9.639 9.807 1.00 14.13 H new ATOM 0 HA ALA A 54 -0.708 10.510 9.448 1.00 14.81 H new ATOM 0 HB1 ALA A 54 -0.115 8.233 9.128 1.00 12.07 H new ATOM 0 HB2 ALA A 54 -1.101 8.375 10.359 1.00 12.07 H new ATOM 0 HB3 ALA A 54 -1.648 7.870 8.961 1.00 12.07 H new ATOM 416 N THR A 55 0.049 10.636 7.121 1.00 11.58 N ATOM 417 CA THR A 55 0.365 10.831 5.711 1.00 12.43 C ATOM 418 C THR A 55 1.708 10.194 5.365 1.00 10.78 C ATOM 419 O THR A 55 2.759 10.816 5.543 1.00 9.95 O ATOM 420 CB THR A 55 0.430 12.333 5.341 1.00 13.57 C ATOM 421 OG1 THR A 55 -0.827 12.955 5.628 1.00 18.94 O ATOM 422 CG2 THR A 55 0.736 12.500 3.860 1.00 19.12 C ATOM 0 H THR A 55 0.655 10.907 7.667 1.00 11.58 H new ATOM 0 HA THR A 55 -0.347 10.408 5.205 1.00 12.43 H new ATOM 0 HB THR A 55 1.133 12.750 5.863 1.00 13.57 H new ATOM 0 HG1 THR A 55 -0.837 13.730 5.305 1.00 18.94 H new ATOM 0 HG21 THR A 55 0.774 13.444 3.642 1.00 19.12 H new ATOM 0 HG22 THR A 55 1.590 12.087 3.657 1.00 19.12 H new ATOM 0 HG23 THR A 55 0.039 12.075 3.336 1.00 19.12 H new ATOM 423 N SER A 56 1.678 8.954 4.886 1.00 10.54 N ATOM 424 CA SER A 56 2.913 8.276 4.505 1.00 9.64 C ATOM 425 C SER A 56 3.364 8.904 3.194 1.00 12.21 C ATOM 426 O SER A 56 2.537 9.351 2.398 1.00 12.92 O ATOM 427 CB SER A 56 2.689 6.769 4.328 1.00 10.13 C ATOM 428 OG SER A 56 1.824 6.491 3.241 1.00 10.31 O ATOM 0 H SER A 56 0.961 8.492 4.775 1.00 10.54 H new ATOM 0 HA SER A 56 3.585 8.378 5.197 1.00 9.64 H new ATOM 0 HB2 SER A 56 3.542 6.330 4.184 1.00 10.13 H new ATOM 0 HB3 SER A 56 2.314 6.400 5.143 1.00 10.13 H new ATOM 0 HG SER A 56 2.279 6.284 2.566 1.00 10.31 H new ATOM 429 N LEU A 57 4.670 8.943 2.963 1.00 8.80 N ATOM 430 CA LEU A 57 5.184 9.564 1.752 1.00 11.76 C ATOM 431 C LEU A 57 6.122 8.715 0.912 1.00 11.08 C ATOM 432 O LEU A 57 5.993 8.659 -0.313 1.00 8.84 O ATOM 433 CB LEU A 57 5.926 10.856 2.109 1.00 12.20 C ATOM 434 CG LEU A 57 5.158 12.021 2.731 1.00 13.88 C ATOM 435 CD1 LEU A 57 6.143 13.109 3.143 1.00 14.83 C ATOM 436 CD2 LEU A 57 4.143 12.558 1.736 1.00 15.53 C ATOM 0 H LEU A 57 5.269 8.619 3.488 1.00 8.80 H new ATOM 0 HA LEU A 57 4.393 9.715 1.211 1.00 11.76 H new ATOM 0 HB2 LEU A 57 6.641 10.620 2.721 1.00 12.20 H new ATOM 0 HB3 LEU A 57 6.344 11.184 1.297 1.00 12.20 H new ATOM 0 HG LEU A 57 4.680 11.718 3.519 1.00 13.88 H new ATOM 0 HD11 LEU A 57 5.659 13.851 3.539 1.00 14.83 H new ATOM 0 HD12 LEU A 57 6.770 12.750 3.791 1.00 14.83 H new ATOM 0 HD13 LEU A 57 6.628 13.419 2.362 1.00 14.83 H new ATOM 0 HD21 LEU A 57 3.658 13.297 2.135 1.00 15.53 H new ATOM 0 HD22 LEU A 57 4.602 12.866 0.939 1.00 15.53 H new ATOM 0 HD23 LEU A 57 3.520 11.854 1.498 1.00 15.53 H new ATOM 437 N ARG A 58 7.055 8.044 1.575 1.00 8.49 N ATOM 438 CA ARG A 58 8.069 7.284 0.862 1.00 7.99 C ATOM 439 C ARG A 58 8.611 6.112 1.666 1.00 9.85 C ATOM 440 O ARG A 58 8.495 6.080 2.892 1.00 10.27 O ATOM 441 CB ARG A 58 9.218 8.240 0.528 1.00 8.33 C ATOM 442 CG ARG A 58 10.305 7.672 -0.347 1.00 11.42 C ATOM 443 CD ARG A 58 11.422 8.690 -0.550 1.00 14.87 C ATOM 444 NE ARG A 58 12.187 8.916 0.673 1.00 13.59 N ATOM 445 CZ ARG A 58 13.445 9.350 0.689 1.00 15.31 C ATOM 446 NH1 ARG A 58 14.071 9.607 -0.453 1.00 12.69 N ATOM 447 NH2 ARG A 58 14.083 9.506 1.839 1.00 13.03 N ATOM 0 H ARG A 58 7.118 8.016 2.432 1.00 8.49 H new ATOM 0 HA ARG A 58 7.662 6.909 0.065 1.00 7.99 H new ATOM 0 HB2 ARG A 58 8.849 9.023 0.090 1.00 8.33 H new ATOM 0 HB3 ARG A 58 9.618 8.542 1.359 1.00 8.33 H new ATOM 0 HG2 ARG A 58 10.665 6.867 0.058 1.00 11.42 H new ATOM 0 HG3 ARG A 58 9.934 7.416 -1.206 1.00 11.42 H new ATOM 0 HD2 ARG A 58 12.018 8.380 -1.250 1.00 14.87 H new ATOM 0 HD3 ARG A 58 11.042 9.530 -0.852 1.00 14.87 H new ATOM 0 HE ARG A 58 11.803 8.760 1.426 1.00 13.59 H new ATOM 0 HH11 ARG A 58 13.664 9.493 -1.202 1.00 12.69 H new ATOM 0 HH12 ARG A 58 14.884 9.888 -0.444 1.00 12.69 H new ATOM 0 HH21 ARG A 58 13.684 9.327 2.580 1.00 13.03 H new ATOM 0 HH22 ARG A 58 14.896 9.787 1.845 1.00 13.03 H new ATOM 448 N ILE A 59 9.207 5.155 0.962 1.00 6.76 N ATOM 449 CA ILE A 59 9.804 3.987 1.598 1.00 8.42 C ATOM 450 C ILE A 59 11.262 3.971 1.116 1.00 8.83 C ATOM 451 O ILE A 59 11.536 4.088 -0.084 1.00 9.19 O ATOM 452 CB ILE A 59 9.028 2.682 1.207 1.00 11.11 C ATOM 453 CG1 ILE A 59 9.343 1.557 2.199 1.00 15.59 C ATOM 454 CG2 ILE A 59 9.323 2.288 -0.230 1.00 10.36 C ATOM 455 CD1 ILE A 59 10.797 1.262 2.390 1.00 21.70 C ATOM 0 H ILE A 59 9.276 5.165 0.105 1.00 6.76 H new ATOM 0 HA ILE A 59 9.760 4.027 2.566 1.00 8.42 H new ATOM 0 HB ILE A 59 8.075 2.854 1.260 1.00 11.11 H new ATOM 0 HG12 ILE A 59 8.959 1.788 3.059 1.00 15.59 H new ATOM 0 HG13 ILE A 59 8.901 0.748 1.899 1.00 15.59 H new ATOM 0 HG21 ILE A 59 8.834 1.480 -0.451 1.00 10.36 H new ATOM 0 HG22 ILE A 59 9.049 3.004 -0.825 1.00 10.36 H new ATOM 0 HG23 ILE A 59 10.274 2.128 -0.333 1.00 10.36 H new ATOM 0 HD11 ILE A 59 10.900 0.541 3.031 1.00 21.70 H new ATOM 0 HD12 ILE A 59 11.188 0.999 1.542 1.00 21.70 H new ATOM 0 HD13 ILE A 59 11.247 2.055 2.721 1.00 21.70 H new ATOM 456 N LEU A 60 12.194 3.841 2.056 1.00 9.13 N ATOM 457 CA LEU A 60 13.620 3.876 1.736 1.00 8.84 C ATOM 458 C LEU A 60 14.459 2.752 2.324 1.00 6.97 C ATOM 459 O LEU A 60 14.282 2.377 3.478 1.00 8.68 O ATOM 460 CB LEU A 60 14.217 5.203 2.229 1.00 9.78 C ATOM 461 CG LEU A 60 15.744 5.338 2.261 1.00 12.17 C ATOM 462 CD1 LEU A 60 16.266 5.609 0.854 1.00 12.51 C ATOM 463 CD2 LEU A 60 16.141 6.482 3.202 1.00 12.99 C ATOM 0 H LEU A 60 12.021 3.731 2.891 1.00 9.13 H new ATOM 0 HA LEU A 60 13.657 3.771 0.772 1.00 8.84 H new ATOM 0 HB2 LEU A 60 13.868 5.913 1.667 1.00 9.78 H new ATOM 0 HB3 LEU A 60 13.886 5.362 3.127 1.00 9.78 H new ATOM 0 HG LEU A 60 16.134 4.512 2.587 1.00 12.17 H new ATOM 0 HD11 LEU A 60 17.232 5.694 0.878 1.00 12.51 H new ATOM 0 HD12 LEU A 60 16.021 4.874 0.270 1.00 12.51 H new ATOM 0 HD13 LEU A 60 15.878 6.432 0.518 1.00 12.51 H new ATOM 0 HD21 LEU A 60 17.107 6.565 3.221 1.00 12.99 H new ATOM 0 HD22 LEU A 60 15.751 7.312 2.885 1.00 12.99 H new ATOM 0 HD23 LEU A 60 15.816 6.293 4.096 1.00 12.99 H new ATOM 464 N ASN A 61 15.378 2.225 1.520 1.00 6.70 N ATOM 465 CA ASN A 61 16.298 1.193 1.980 1.00 6.14 C ATOM 466 C ASN A 61 17.546 1.997 2.331 1.00 6.14 C ATOM 467 O ASN A 61 18.207 2.523 1.436 1.00 8.69 O ATOM 468 CB ASN A 61 16.631 0.213 0.857 1.00 4.95 C ATOM 469 CG ASN A 61 17.660 -0.820 1.271 1.00 10.55 C ATOM 470 OD1 ASN A 61 18.502 -0.566 2.136 1.00 8.09 O ATOM 471 ND2 ASN A 61 17.609 -1.989 0.642 1.00 8.88 N ATOM 0 H ASN A 61 15.485 2.454 0.698 1.00 6.70 H new ATOM 0 HA ASN A 61 15.938 0.665 2.710 1.00 6.14 H new ATOM 0 HB2 ASN A 61 15.820 -0.238 0.575 1.00 4.95 H new ATOM 0 HB3 ASN A 61 16.963 0.706 0.090 1.00 4.95 H new ATOM 0 HD21 ASN A 61 18.178 -2.605 0.833 1.00 8.88 H new ATOM 0 HD22 ASN A 61 17.007 -2.130 0.044 1.00 8.88 H new ATOM 472 N ASN A 62 17.865 2.109 3.619 1.00 6.57 N ATOM 473 CA ASN A 62 19.028 2.896 4.030 1.00 9.47 C ATOM 474 C ASN A 62 20.292 2.086 4.302 1.00 11.76 C ATOM 475 O ASN A 62 21.259 2.608 4.858 1.00 9.04 O ATOM 476 CB ASN A 62 18.698 3.750 5.267 1.00 9.61 C ATOM 477 CG ASN A 62 18.316 2.916 6.474 1.00 6.85 C ATOM 478 OD1 ASN A 62 18.674 1.744 6.572 1.00 6.75 O ATOM 479 ND2 ASN A 62 17.597 3.527 7.412 1.00 8.90 N ATOM 0 H ASN A 62 17.428 1.743 4.263 1.00 6.57 H new ATOM 0 HA ASN A 62 19.226 3.457 3.264 1.00 9.47 H new ATOM 0 HB2 ASN A 62 19.466 4.300 5.489 1.00 9.61 H new ATOM 0 HB3 ASN A 62 17.969 4.354 5.053 1.00 9.61 H new ATOM 0 HD21 ASN A 62 17.365 3.100 8.122 1.00 8.90 H new ATOM 0 HD22 ASN A 62 17.365 4.349 7.309 1.00 8.90 H new ATOM 480 N GLY A 63 20.293 0.816 3.907 1.00 9.67 N ATOM 481 CA GLY A 63 21.468 -0.008 4.122 1.00 9.76 C ATOM 482 C GLY A 63 21.509 -0.688 5.478 1.00 9.91 C ATOM 483 O GLY A 63 22.381 -1.517 5.729 1.00 9.54 O ATOM 0 H GLY A 63 19.634 0.421 3.520 1.00 9.67 H new ATOM 0 HA2 GLY A 63 21.506 -0.686 3.430 1.00 9.76 H new ATOM 0 HA3 GLY A 63 22.260 0.543 4.023 1.00 9.76 H new ATOM 484 N HIS A 64 20.572 -0.338 6.354 1.00 10.06 N ATOM 485 CA HIS A 64 20.506 -0.940 7.687 1.00 9.96 C ATOM 486 C HIS A 64 19.136 -1.573 7.909 1.00 9.76 C ATOM 487 O HIS A 64 19.001 -2.543 8.658 1.00 10.13 O ATOM 488 CB HIS A 64 20.768 0.119 8.758 1.00 10.89 C ATOM 489 CG HIS A 64 22.069 0.837 8.579 1.00 14.72 C ATOM 490 ND1 HIS A 64 22.143 2.187 8.309 1.00 16.55 N ATOM 491 CD2 HIS A 64 23.346 0.388 8.607 1.00 13.60 C ATOM 492 CE1 HIS A 64 23.411 2.538 8.179 1.00 13.73 C ATOM 493 NE2 HIS A 64 24.161 1.465 8.355 1.00 17.37 N ATOM 0 H HIS A 64 19.962 0.248 6.197 1.00 10.06 H new ATOM 0 HA HIS A 64 21.187 -1.628 7.751 1.00 9.96 H new ATOM 0 HB2 HIS A 64 20.045 0.766 8.747 1.00 10.89 H new ATOM 0 HB3 HIS A 64 20.757 -0.304 9.631 1.00 10.89 H new ATOM 0 HD1 HIS A 64 21.470 2.717 8.237 1.00 16.55 H new ATOM 0 HD2 HIS A 64 23.620 -0.486 8.767 1.00 13.60 H new ATOM 0 HE1 HIS A 64 23.722 3.395 7.995 1.00 13.73 H new ATOM 494 N ALA A 65 18.130 -1.011 7.243 1.00 7.03 N ATOM 495 CA ALA A 65 16.750 -1.485 7.315 1.00 7.86 C ATOM 496 C ALA A 65 15.981 -0.655 6.287 1.00 9.32 C ATOM 497 O ALA A 65 16.604 0.031 5.478 1.00 10.10 O ATOM 498 CB ALA A 65 16.192 -1.247 8.719 1.00 5.77 C ATOM 0 H ALA A 65 18.233 -0.331 6.727 1.00 7.03 H new ATOM 0 HA ALA A 65 16.679 -2.435 7.133 1.00 7.86 H new ATOM 0 HB1 ALA A 65 15.276 -1.563 8.761 1.00 5.77 H new ATOM 0 HB2 ALA A 65 16.730 -1.728 9.367 1.00 5.77 H new ATOM 0 HB3 ALA A 65 16.216 -0.298 8.920 1.00 5.77 H new ATOM 499 N PHE A 66 14.650 -0.735 6.278 1.00 8.05 N ATOM 500 CA PHE A 66 13.874 0.100 5.361 1.00 6.53 C ATOM 501 C PHE A 66 12.900 0.949 6.173 1.00 7.98 C ATOM 502 O PHE A 66 12.261 0.463 7.109 1.00 6.84 O ATOM 503 CB PHE A 66 13.131 -0.722 4.282 1.00 7.36 C ATOM 504 CG PHE A 66 12.083 -1.658 4.815 1.00 9.03 C ATOM 505 CD1 PHE A 66 12.395 -2.984 5.100 1.00 9.57 C ATOM 506 CD2 PHE A 66 10.779 -1.218 5.021 1.00 10.94 C ATOM 507 CE1 PHE A 66 11.423 -3.859 5.582 1.00 7.84 C ATOM 508 CE2 PHE A 66 9.799 -2.088 5.503 1.00 11.05 C ATOM 509 CZ PHE A 66 10.125 -3.410 5.783 1.00 9.42 C ATOM 0 H PHE A 66 14.186 -1.254 6.783 1.00 8.05 H new ATOM 0 HA PHE A 66 14.490 0.672 4.878 1.00 6.53 H new ATOM 0 HB2 PHE A 66 12.712 -0.109 3.658 1.00 7.36 H new ATOM 0 HB3 PHE A 66 13.782 -1.237 3.780 1.00 7.36 H new ATOM 0 HD1 PHE A 66 13.263 -3.290 4.967 1.00 9.57 H new ATOM 0 HD2 PHE A 66 10.558 -0.334 4.835 1.00 10.94 H new ATOM 0 HE1 PHE A 66 11.644 -4.743 5.769 1.00 7.84 H new ATOM 0 HE2 PHE A 66 8.930 -1.784 5.636 1.00 11.05 H new ATOM 0 HZ PHE A 66 9.475 -3.992 6.104 1.00 9.42 H new ATOM 510 N ASN A 67 12.818 2.231 5.825 1.00 7.75 N ATOM 511 CA ASN A 67 11.951 3.170 6.535 1.00 6.48 C ATOM 512 C ASN A 67 10.749 3.635 5.725 1.00 8.17 C ATOM 513 O ASN A 67 10.886 4.034 4.568 1.00 7.27 O ATOM 514 CB ASN A 67 12.722 4.442 6.919 1.00 6.28 C ATOM 515 CG ASN A 67 13.780 4.212 7.977 1.00 6.94 C ATOM 516 OD1 ASN A 67 13.846 3.002 8.507 1.00 14.58 O flip ATOM 517 ND2 ASN A 67 14.533 5.129 8.315 1.00 6.72 N flip ATOM 0 H ASN A 67 13.260 2.580 5.175 1.00 7.75 H new ATOM 0 HA ASN A 67 11.643 2.674 7.310 1.00 6.48 H new ATOM 0 HB2 ASN A 67 13.143 4.808 6.125 1.00 6.28 H new ATOM 0 HB3 ASN A 67 12.094 5.108 7.240 1.00 6.28 H new ATOM 0 HD21 ASN A 67 14.460 5.903 7.947 1.00 6.72 H new ATOM 0 HD22 ASN A 67 15.131 4.994 8.918 1.00 6.72 H new ATOM 518 N VAL A 68 9.575 3.587 6.339 1.00 4.95 N ATOM 519 CA VAL A 68 8.376 4.119 5.700 1.00 6.51 C ATOM 520 C VAL A 68 8.288 5.487 6.378 1.00 7.66 C ATOM 521 O VAL A 68 8.054 5.568 7.590 1.00 8.62 O ATOM 522 CB VAL A 68 7.115 3.303 6.034 1.00 6.83 C ATOM 523 CG1 VAL A 68 5.859 4.105 5.649 1.00 7.49 C ATOM 524 CG2 VAL A 68 7.138 1.985 5.272 1.00 8.52 C ATOM 0 H VAL A 68 9.449 3.253 7.121 1.00 4.95 H new ATOM 0 HA VAL A 68 8.425 4.119 4.731 1.00 6.51 H new ATOM 0 HB VAL A 68 7.097 3.120 6.986 1.00 6.83 H new ATOM 0 HG11 VAL A 68 5.067 3.587 5.861 1.00 7.49 H new ATOM 0 HG12 VAL A 68 5.842 4.938 6.145 1.00 7.49 H new ATOM 0 HG13 VAL A 68 5.875 4.295 4.698 1.00 7.49 H new ATOM 0 HG21 VAL A 68 6.342 1.474 5.485 1.00 8.52 H new ATOM 0 HG22 VAL A 68 7.162 2.163 4.319 1.00 8.52 H new ATOM 0 HG23 VAL A 68 7.925 1.478 5.526 1.00 8.52 H new ATOM 525 N GLU A 69 8.494 6.551 5.606 1.00 7.13 N ATOM 526 CA GLU A 69 8.488 7.908 6.137 1.00 8.55 C ATOM 527 C GLU A 69 7.130 8.600 6.045 1.00 9.18 C ATOM 528 O GLU A 69 6.374 8.390 5.095 1.00 9.57 O ATOM 529 CB GLU A 69 9.542 8.743 5.401 1.00 7.80 C ATOM 530 CG GLU A 69 10.862 8.001 5.196 1.00 12.26 C ATOM 531 CD GLU A 69 11.794 8.690 4.215 1.00 14.68 C ATOM 532 OE1 GLU A 69 11.300 9.442 3.345 1.00 15.53 O ATOM 533 OE2 GLU A 69 13.021 8.460 4.299 1.00 17.56 O ATOM 0 H GLU A 69 8.641 6.505 4.760 1.00 7.13 H new ATOM 0 HA GLU A 69 8.695 7.838 7.082 1.00 8.55 H new ATOM 0 HB2 GLU A 69 9.190 9.009 4.537 1.00 7.80 H new ATOM 0 HB3 GLU A 69 9.709 9.556 5.902 1.00 7.80 H new ATOM 0 HG2 GLU A 69 11.311 7.912 6.051 1.00 12.26 H new ATOM 0 HG3 GLU A 69 10.675 7.104 4.879 1.00 12.26 H new ATOM 534 N PHE A 70 6.838 9.432 7.042 1.00 5.89 N ATOM 535 CA PHE A 70 5.580 10.173 7.099 1.00 7.30 C ATOM 536 C PHE A 70 5.805 11.683 7.088 1.00 8.67 C ATOM 537 O PHE A 70 6.905 12.160 7.353 1.00 5.72 O ATOM 538 CB PHE A 70 4.800 9.811 8.369 1.00 6.32 C ATOM 539 CG PHE A 70 4.273 8.411 8.377 1.00 6.35 C ATOM 540 CD1 PHE A 70 5.116 7.335 8.640 1.00 5.85 C ATOM 541 CD2 PHE A 70 2.940 8.161 8.078 1.00 6.95 C ATOM 542 CE1 PHE A 70 4.632 6.019 8.601 1.00 4.95 C ATOM 543 CE2 PHE A 70 2.447 6.855 8.036 1.00 6.86 C ATOM 544 CZ PHE A 70 3.297 5.784 8.297 1.00 8.11 C ATOM 0 H PHE A 70 7.364 9.583 7.705 1.00 5.89 H new ATOM 0 HA PHE A 70 5.075 9.925 6.309 1.00 7.30 H new ATOM 0 HB2 PHE A 70 5.377 9.935 9.139 1.00 6.32 H new ATOM 0 HB3 PHE A 70 4.058 10.427 8.469 1.00 6.32 H new ATOM 0 HD1 PHE A 70 6.010 7.490 8.844 1.00 5.85 H new ATOM 0 HD2 PHE A 70 2.368 8.873 7.903 1.00 6.95 H new ATOM 0 HE1 PHE A 70 5.203 5.306 8.778 1.00 4.95 H new ATOM 0 HE2 PHE A 70 1.552 6.701 7.834 1.00 6.86 H new ATOM 0 HZ PHE A 70 2.972 4.913 8.268 1.00 8.11 H new ATOM 545 N ASP A 71 4.751 12.427 6.777 1.00 10.52 N ATOM 546 CA ASP A 71 4.818 13.882 6.776 1.00 12.74 C ATOM 547 C ASP A 71 4.601 14.335 8.220 1.00 10.83 C ATOM 548 O ASP A 71 3.497 14.227 8.748 1.00 13.23 O ATOM 549 CB ASP A 71 3.725 14.460 5.870 1.00 15.71 C ATOM 550 CG ASP A 71 3.588 15.967 6.008 1.00 19.19 C ATOM 551 OD1 ASP A 71 4.544 16.615 6.479 1.00 19.32 O ATOM 552 OD2 ASP A 71 2.528 16.505 5.632 1.00 21.77 O ATOM 0 H ASP A 71 3.983 12.106 6.562 1.00 10.52 H new ATOM 0 HA ASP A 71 5.674 14.191 6.440 1.00 12.74 H new ATOM 0 HB2 ASP A 71 3.925 14.240 4.947 1.00 15.71 H new ATOM 0 HB3 ASP A 71 2.877 14.041 6.084 1.00 15.71 H new ATOM 553 N ASP A 72 5.661 14.824 8.859 1.00 11.03 N ATOM 554 CA ASP A 72 5.573 15.263 10.245 1.00 13.68 C ATOM 555 C ASP A 72 5.690 16.778 10.382 1.00 17.09 C ATOM 556 O ASP A 72 6.271 17.277 11.346 1.00 16.56 O ATOM 557 CB ASP A 72 6.661 14.570 11.084 1.00 14.22 C ATOM 558 CG ASP A 72 8.068 14.906 10.619 1.00 17.65 C ATOM 559 OD1 ASP A 72 8.234 15.342 9.460 1.00 19.46 O ATOM 560 OD2 ASP A 72 9.018 14.719 11.409 1.00 14.53 O ATOM 0 H ASP A 72 6.440 14.909 8.506 1.00 11.03 H new ATOM 0 HA ASP A 72 4.696 15.012 10.574 1.00 13.68 H new ATOM 0 HB2 ASP A 72 6.561 14.830 12.013 1.00 14.22 H new ATOM 0 HB3 ASP A 72 6.532 13.609 11.043 1.00 14.22 H new ATOM 561 N SER A 73 5.131 17.501 9.413 1.00 19.40 N ATOM 562 CA SER A 73 5.160 18.961 9.425 1.00 21.60 C ATOM 563 C SER A 73 4.020 19.513 10.280 1.00 22.69 C ATOM 564 O SER A 73 3.968 20.711 10.563 1.00 24.55 O ATOM 565 CB SER A 73 5.045 19.508 7.998 1.00 22.28 C ATOM 566 OG SER A 73 3.816 19.131 7.401 1.00 22.87 O ATOM 0 H SER A 73 4.727 17.161 8.734 1.00 19.40 H new ATOM 0 HA SER A 73 6.005 19.244 9.807 1.00 21.60 H new ATOM 0 HB2 SER A 73 5.117 20.475 8.013 1.00 22.28 H new ATOM 0 HB3 SER A 73 5.783 19.177 7.462 1.00 22.28 H new ATOM 0 HG SER A 73 3.890 18.364 7.068 1.00 22.87 H new ATOM 567 N GLN A 74 3.109 18.629 10.679 1.00 21.61 N ATOM 568 CA GLN A 74 1.963 18.988 11.517 1.00 21.30 C ATOM 569 C GLN A 74 1.620 17.766 12.354 1.00 20.23 C ATOM 570 O GLN A 74 2.159 16.691 12.112 1.00 17.77 O ATOM 571 CB GLN A 74 0.746 19.336 10.661 1.00 24.68 C ATOM 572 CG GLN A 74 0.972 20.412 9.627 1.00 27.08 C ATOM 573 CD GLN A 74 -0.297 20.736 8.873 1.00 28.92 C ATOM 574 OE1 GLN A 74 -1.263 21.231 9.451 1.00 32.47 O ATOM 575 NE2 GLN A 74 -0.308 20.447 7.577 1.00 31.00 N ATOM 0 H GLN A 74 3.138 17.795 10.470 1.00 21.61 H new ATOM 0 HA GLN A 74 2.188 19.758 12.063 1.00 21.30 H new ATOM 0 HB2 GLN A 74 0.446 18.532 10.209 1.00 24.68 H new ATOM 0 HB3 GLN A 74 0.026 19.617 11.247 1.00 24.68 H new ATOM 0 HG2 GLN A 74 1.305 21.213 10.061 1.00 27.08 H new ATOM 0 HG3 GLN A 74 1.655 20.123 9.002 1.00 27.08 H new ATOM 0 HE21 GLN A 74 0.387 20.101 7.208 1.00 31.00 H new ATOM 0 HE22 GLN A 74 -1.011 20.606 7.107 1.00 31.00 H new ATOM 576 N ASP A 75 0.724 17.929 13.326 1.00 19.99 N ATOM 577 CA ASP A 75 0.312 16.809 14.173 1.00 21.05 C ATOM 578 C ASP A 75 -0.726 15.944 13.458 1.00 20.39 C ATOM 579 O ASP A 75 -1.884 15.882 13.873 1.00 24.66 O ATOM 580 CB ASP A 75 -0.286 17.305 15.497 1.00 20.22 C ATOM 581 CG ASP A 75 0.751 17.913 16.425 1.00 21.05 C ATOM 582 OD1 ASP A 75 1.930 17.508 16.363 1.00 22.01 O ATOM 583 OD2 ASP A 75 0.379 18.784 17.238 1.00 21.95 O ATOM 0 H ASP A 75 0.343 18.677 13.512 1.00 19.99 H new ATOM 0 HA ASP A 75 1.105 16.282 14.358 1.00 21.05 H new ATOM 0 HB2 ASP A 75 -0.972 17.965 15.309 1.00 20.22 H new ATOM 0 HB3 ASP A 75 -0.721 16.564 15.947 1.00 20.22 H new ATOM 584 N LYS A 76 -0.309 15.270 12.391 1.00 18.69 N ATOM 585 CA LYS A 76 -1.216 14.416 11.625 1.00 20.35 C ATOM 586 C LYS A 76 -1.348 13.020 12.229 1.00 18.77 C ATOM 587 O LYS A 76 -2.392 12.375 12.119 1.00 22.95 O ATOM 588 CB LYS A 76 -0.728 14.298 10.179 1.00 22.61 C ATOM 589 CG LYS A 76 -0.772 15.603 9.398 1.00 28.45 C ATOM 590 CD LYS A 76 -0.370 15.387 7.949 1.00 29.05 C ATOM 591 CE LYS A 76 -0.491 16.671 7.147 1.00 32.37 C ATOM 592 NZ LYS A 76 -0.132 16.460 5.717 1.00 33.90 N ATOM 0 H LYS A 76 0.497 15.293 12.092 1.00 18.69 H new ATOM 0 HA LYS A 76 -2.091 14.834 11.651 1.00 20.35 H new ATOM 0 HB2 LYS A 76 0.183 13.965 10.182 1.00 22.61 H new ATOM 0 HB3 LYS A 76 -1.270 13.638 9.718 1.00 22.61 H new ATOM 0 HG2 LYS A 76 -1.666 15.976 9.436 1.00 28.45 H new ATOM 0 HG3 LYS A 76 -0.177 16.250 9.809 1.00 28.45 H new ATOM 0 HD2 LYS A 76 0.543 15.063 7.909 1.00 29.05 H new ATOM 0 HD3 LYS A 76 -0.932 14.702 7.554 1.00 29.05 H new ATOM 0 HE2 LYS A 76 -1.399 17.007 7.207 1.00 32.37 H new ATOM 0 HE3 LYS A 76 0.088 17.348 7.530 1.00 32.37 H new ATOM 0 HZ1 LYS A 76 -0.254 17.217 5.265 1.00 33.90 H new ATOM 0 HZ2 LYS A 76 0.721 16.214 5.658 1.00 33.90 H new ATOM 0 HZ3 LYS A 76 -0.649 15.823 5.372 1.00 33.90 H new ATOM 593 N ALA A 77 -0.275 12.555 12.854 1.00 16.11 N ATOM 594 CA ALA A 77 -0.249 11.239 13.484 1.00 14.55 C ATOM 595 C ALA A 77 0.578 11.385 14.750 1.00 12.70 C ATOM 596 O ALA A 77 1.774 11.649 14.677 1.00 12.41 O ATOM 597 CB ALA A 77 0.396 10.225 12.550 1.00 13.83 C ATOM 0 H ALA A 77 0.461 12.993 12.926 1.00 16.11 H new ATOM 0 HA ALA A 77 -1.145 10.926 13.684 1.00 14.55 H new ATOM 0 HB1 ALA A 77 0.409 9.354 12.977 1.00 13.83 H new ATOM 0 HB2 ALA A 77 -0.114 10.173 11.726 1.00 13.83 H new ATOM 0 HB3 ALA A 77 1.305 10.500 12.351 1.00 13.83 H new ATOM 598 N VAL A 78 -0.051 11.220 15.908 1.00 9.36 N ATOM 599 CA VAL A 78 0.672 11.374 17.163 1.00 10.81 C ATOM 600 C VAL A 78 0.427 10.266 18.177 1.00 10.97 C ATOM 601 O VAL A 78 -0.543 9.513 18.085 1.00 13.85 O ATOM 602 CB VAL A 78 0.321 12.716 17.847 1.00 12.76 C ATOM 603 CG1 VAL A 78 0.648 13.888 16.922 1.00 11.83 C ATOM 604 CG2 VAL A 78 -1.154 12.731 18.231 1.00 10.32 C ATOM 0 H VAL A 78 -0.884 11.022 15.989 1.00 9.36 H new ATOM 0 HA VAL A 78 1.606 11.338 16.902 1.00 10.81 H new ATOM 0 HB VAL A 78 0.854 12.808 18.652 1.00 12.76 H new ATOM 0 HG11 VAL A 78 0.423 14.722 17.364 1.00 11.83 H new ATOM 0 HG12 VAL A 78 1.595 13.880 16.711 1.00 11.83 H new ATOM 0 HG13 VAL A 78 0.134 13.807 16.103 1.00 11.83 H new ATOM 0 HG21 VAL A 78 -1.369 13.574 18.659 1.00 10.32 H new ATOM 0 HG22 VAL A 78 -1.697 12.626 17.434 1.00 10.32 H new ATOM 0 HG23 VAL A 78 -1.336 12.002 18.844 1.00 10.32 H new ATOM 605 N LEU A 79 1.335 10.191 19.144 1.00 9.72 N ATOM 606 CA LEU A 79 1.275 9.232 20.234 1.00 10.13 C ATOM 607 C LEU A 79 1.222 10.085 21.500 1.00 9.52 C ATOM 608 O LEU A 79 1.982 11.046 21.640 1.00 9.85 O ATOM 609 CB LEU A 79 2.533 8.360 20.242 1.00 9.77 C ATOM 610 CG LEU A 79 2.592 7.185 21.223 1.00 11.54 C ATOM 611 CD1 LEU A 79 1.478 6.197 20.910 1.00 11.60 C ATOM 612 CD2 LEU A 79 3.951 6.501 21.115 1.00 8.09 C ATOM 0 H LEU A 79 2.019 10.711 19.183 1.00 9.72 H new ATOM 0 HA LEU A 79 0.514 8.636 20.157 1.00 10.13 H new ATOM 0 HB2 LEU A 79 2.654 8.005 19.347 1.00 9.77 H new ATOM 0 HB3 LEU A 79 3.292 8.936 20.424 1.00 9.77 H new ATOM 0 HG LEU A 79 2.473 7.512 22.129 1.00 11.54 H new ATOM 0 HD11 LEU A 79 1.519 5.455 21.533 1.00 11.60 H new ATOM 0 HD12 LEU A 79 0.619 6.641 20.992 1.00 11.60 H new ATOM 0 HD13 LEU A 79 1.585 5.865 20.005 1.00 11.60 H new ATOM 0 HD21 LEU A 79 3.989 5.757 21.736 1.00 8.09 H new ATOM 0 HD22 LEU A 79 4.078 6.174 20.211 1.00 8.09 H new ATOM 0 HD23 LEU A 79 4.651 7.137 21.330 1.00 8.09 H new ATOM 613 N LYS A 80 0.316 9.751 22.408 1.00 11.19 N ATOM 614 CA LYS A 80 0.172 10.492 23.660 1.00 12.65 C ATOM 615 C LYS A 80 -0.278 9.547 24.767 1.00 10.75 C ATOM 616 O LYS A 80 -0.583 8.383 24.513 1.00 11.80 O ATOM 617 CB LYS A 80 -0.868 11.608 23.502 1.00 15.90 C ATOM 618 CG LYS A 80 -0.542 12.640 22.431 1.00 20.06 C ATOM 619 CD LYS A 80 -1.682 13.638 22.253 1.00 22.38 C ATOM 620 CE LYS A 80 -1.989 14.378 23.547 1.00 25.70 C ATOM 621 NZ LYS A 80 -0.823 15.168 24.035 1.00 28.68 N ATOM 0 H LYS A 80 -0.231 9.093 22.320 1.00 11.19 H new ATOM 0 HA LYS A 80 1.030 10.884 23.888 1.00 12.65 H new ATOM 0 HB2 LYS A 80 -1.726 11.206 23.295 1.00 15.90 H new ATOM 0 HB3 LYS A 80 -0.966 12.064 24.353 1.00 15.90 H new ATOM 0 HG2 LYS A 80 0.270 13.113 22.672 1.00 20.06 H new ATOM 0 HG3 LYS A 80 -0.369 12.191 21.589 1.00 20.06 H new ATOM 0 HD2 LYS A 80 -1.448 14.277 21.562 1.00 22.38 H new ATOM 0 HD3 LYS A 80 -2.477 13.171 21.950 1.00 22.38 H new ATOM 0 HE2 LYS A 80 -2.744 14.971 23.407 1.00 25.70 H new ATOM 0 HE3 LYS A 80 -2.253 13.739 24.228 1.00 25.70 H new ATOM 0 HZ1 LYS A 80 -1.095 15.747 24.654 1.00 28.68 H new ATOM 0 HZ2 LYS A 80 -0.219 14.618 24.388 1.00 28.68 H new ATOM 0 HZ3 LYS A 80 -0.458 15.611 23.355 1.00 28.68 H new ATOM 622 N GLY A 81 -0.320 10.054 25.995 1.00 13.63 N ATOM 623 CA GLY A 81 -0.753 9.239 27.114 1.00 12.98 C ATOM 624 C GLY A 81 0.299 8.267 27.608 1.00 14.68 C ATOM 625 O GLY A 81 1.478 8.392 27.274 1.00 12.64 O ATOM 0 H GLY A 81 -0.103 10.861 26.197 1.00 13.63 H new ATOM 0 HA2 GLY A 81 -1.012 9.821 27.846 1.00 12.98 H new ATOM 0 HA3 GLY A 81 -1.544 8.741 26.854 1.00 12.98 H new ATOM 626 N GLY A 82 -0.129 7.288 28.398 1.00 12.47 N ATOM 627 CA GLY A 82 0.812 6.324 28.935 1.00 13.80 C ATOM 628 C GLY A 82 1.826 7.045 29.803 1.00 13.20 C ATOM 629 O GLY A 82 1.443 7.845 30.655 1.00 12.61 O ATOM 0 H GLY A 82 -0.948 7.168 28.630 1.00 12.47 H new ATOM 0 HA2 GLY A 82 0.343 5.654 29.456 1.00 13.80 H new ATOM 0 HA3 GLY A 82 1.262 5.858 28.213 1.00 13.80 H new ATOM 630 N PRO A 83 3.128 6.792 29.612 1.00 8.17 N ATOM 631 CA PRO A 83 4.159 7.454 30.415 1.00 9.40 C ATOM 632 C PRO A 83 4.573 8.798 29.819 1.00 11.34 C ATOM 633 O PRO A 83 5.377 9.527 30.406 1.00 11.24 O ATOM 634 CB PRO A 83 5.302 6.454 30.370 1.00 11.62 C ATOM 635 CG PRO A 83 5.226 5.981 28.935 1.00 8.11 C ATOM 636 CD PRO A 83 3.726 5.761 28.738 1.00 7.26 C ATOM 0 HA PRO A 83 3.862 7.668 31.313 1.00 9.40 H new ATOM 0 HB2 PRO A 83 6.156 6.865 30.575 1.00 11.62 H new ATOM 0 HB3 PRO A 83 5.178 5.728 31.001 1.00 11.62 H new ATOM 0 HG2 PRO A 83 5.578 6.641 28.318 1.00 8.11 H new ATOM 0 HG3 PRO A 83 5.732 5.165 28.796 1.00 8.11 H new ATOM 0 HD2 PRO A 83 3.463 5.878 27.812 1.00 7.26 H new ATOM 0 HD3 PRO A 83 3.456 4.867 28.999 1.00 7.26 H new ATOM 637 N LEU A 84 4.009 9.122 28.660 1.00 9.60 N ATOM 638 CA LEU A 84 4.361 10.343 27.942 1.00 9.05 C ATOM 639 C LEU A 84 3.712 11.648 28.378 1.00 12.88 C ATOM 640 O LEU A 84 2.514 11.714 28.656 1.00 10.86 O ATOM 641 CB LEU A 84 4.090 10.152 26.447 1.00 12.14 C ATOM 642 CG LEU A 84 4.712 8.927 25.774 1.00 11.75 C ATOM 643 CD1 LEU A 84 4.193 8.821 24.344 1.00 8.73 C ATOM 644 CD2 LEU A 84 6.233 9.030 25.801 1.00 6.47 C ATOM 0 H LEU A 84 3.413 8.642 28.268 1.00 9.60 H new ATOM 0 HA LEU A 84 5.299 10.458 28.162 1.00 9.05 H new ATOM 0 HB2 LEU A 84 3.129 10.110 26.319 1.00 12.14 H new ATOM 0 HB3 LEU A 84 4.404 10.943 25.981 1.00 12.14 H new ATOM 0 HG LEU A 84 4.460 8.124 26.257 1.00 11.75 H new ATOM 0 HD11 LEU A 84 4.585 8.045 23.914 1.00 8.73 H new ATOM 0 HD12 LEU A 84 3.227 8.730 24.356 1.00 8.73 H new ATOM 0 HD13 LEU A 84 4.436 9.621 23.851 1.00 8.73 H new ATOM 0 HD21 LEU A 84 6.618 8.250 25.372 1.00 6.47 H new ATOM 0 HD22 LEU A 84 6.512 9.829 25.327 1.00 6.47 H new ATOM 0 HD23 LEU A 84 6.538 9.077 26.721 1.00 6.47 H new ATOM 645 N ASP A 85 4.531 12.690 28.424 1.00 11.53 N ATOM 646 CA ASP A 85 4.062 14.018 28.762 1.00 14.89 C ATOM 647 C ASP A 85 4.118 14.808 27.462 1.00 15.65 C ATOM 648 O ASP A 85 5.179 14.933 26.848 1.00 19.54 O ATOM 649 CB ASP A 85 4.972 14.660 29.810 1.00 22.23 C ATOM 650 CG ASP A 85 4.636 16.114 30.053 1.00 26.56 C ATOM 651 OD1 ASP A 85 3.436 16.428 30.200 1.00 30.78 O ATOM 652 OD2 ASP A 85 5.571 16.941 30.102 1.00 33.09 O ATOM 0 H ASP A 85 5.374 12.644 28.260 1.00 11.53 H new ATOM 0 HA ASP A 85 3.168 13.998 29.138 1.00 14.89 H new ATOM 0 HB2 ASP A 85 4.897 14.170 30.644 1.00 22.23 H new ATOM 0 HB3 ASP A 85 5.895 14.588 29.521 1.00 22.23 H new ATOM 653 N GLY A 86 2.974 15.317 27.022 1.00 16.54 N ATOM 654 CA GLY A 86 2.960 16.081 25.792 1.00 13.41 C ATOM 655 C GLY A 86 2.589 15.281 24.560 1.00 13.45 C ATOM 656 O GLY A 86 2.014 14.197 24.659 1.00 13.06 O ATOM 0 H GLY A 86 2.213 15.233 27.413 1.00 16.54 H new ATOM 0 HA2 GLY A 86 2.333 16.815 25.888 1.00 13.41 H new ATOM 0 HA3 GLY A 86 3.837 16.472 25.658 1.00 13.41 H new ATOM 657 N THR A 87 2.944 15.815 23.395 1.00 11.84 N ATOM 658 CA THR A 87 2.616 15.188 22.120 1.00 13.55 C ATOM 659 C THR A 87 3.842 14.762 21.323 1.00 12.11 C ATOM 660 O THR A 87 4.777 15.537 21.149 1.00 10.46 O ATOM 661 CB THR A 87 1.789 16.159 21.246 1.00 18.07 C ATOM 662 OG1 THR A 87 0.608 16.549 21.959 1.00 21.24 O ATOM 663 CG2 THR A 87 1.390 15.502 19.927 1.00 13.27 C ATOM 0 H THR A 87 3.382 16.551 23.322 1.00 11.84 H new ATOM 0 HA THR A 87 2.109 14.391 22.339 1.00 13.55 H new ATOM 0 HB THR A 87 2.334 16.937 21.049 1.00 18.07 H new ATOM 0 HG1 THR A 87 0.157 17.078 21.487 1.00 21.24 H new ATOM 0 HG21 THR A 87 0.873 16.128 19.397 1.00 13.27 H new ATOM 0 HG22 THR A 87 2.188 15.246 19.438 1.00 13.27 H new ATOM 0 HG23 THR A 87 0.855 14.713 20.107 1.00 13.27 H new ATOM 664 N TYR A 88 3.818 13.527 20.832 1.00 8.53 N ATOM 665 CA TYR A 88 4.914 12.988 20.033 1.00 10.57 C ATOM 666 C TYR A 88 4.416 12.660 18.617 1.00 10.88 C ATOM 667 O TYR A 88 3.490 11.864 18.450 1.00 14.19 O ATOM 668 CB TYR A 88 5.481 11.723 20.696 1.00 7.46 C ATOM 669 CG TYR A 88 6.265 11.973 21.972 1.00 10.30 C ATOM 670 CD1 TYR A 88 5.630 12.393 23.143 1.00 7.85 C ATOM 671 CD2 TYR A 88 7.647 11.773 22.011 1.00 7.82 C ATOM 672 CE1 TYR A 88 6.354 12.604 24.324 1.00 8.98 C ATOM 673 CE2 TYR A 88 8.376 11.979 23.182 1.00 4.95 C ATOM 674 CZ TYR A 88 7.726 12.390 24.333 1.00 7.76 C ATOM 675 OH TYR A 88 8.446 12.562 25.495 1.00 8.59 O ATOM 0 H TYR A 88 3.167 12.978 20.952 1.00 8.53 H new ATOM 0 HA TYR A 88 5.618 13.653 19.976 1.00 10.57 H new ATOM 0 HB2 TYR A 88 4.748 11.120 20.894 1.00 7.46 H new ATOM 0 HB3 TYR A 88 6.057 11.270 20.060 1.00 7.46 H new ATOM 0 HD1 TYR A 88 4.711 12.535 23.139 1.00 7.85 H new ATOM 0 HD2 TYR A 88 8.090 11.497 21.241 1.00 7.82 H new ATOM 0 HE1 TYR A 88 5.919 12.885 25.096 1.00 8.98 H new ATOM 0 HE2 TYR A 88 9.296 11.841 23.190 1.00 4.95 H new ATOM 0 HH TYR A 88 9.223 12.822 25.308 1.00 8.59 H new ATOM 676 N ARG A 89 5.029 13.279 17.606 1.00 9.69 N ATOM 677 CA ARG A 89 4.649 13.063 16.208 1.00 7.62 C ATOM 678 C ARG A 89 5.369 11.901 15.535 1.00 8.29 C ATOM 679 O ARG A 89 6.584 11.744 15.677 1.00 6.09 O ATOM 680 CB ARG A 89 4.932 14.302 15.356 1.00 10.79 C ATOM 681 CG ARG A 89 4.070 15.508 15.595 1.00 18.66 C ATOM 682 CD ARG A 89 4.456 16.590 14.587 1.00 17.10 C ATOM 683 NE ARG A 89 3.938 17.902 14.957 1.00 22.31 N ATOM 684 CZ ARG A 89 4.383 19.049 14.457 1.00 20.99 C ATOM 685 NH1 ARG A 89 5.360 19.052 13.560 1.00 21.67 N ATOM 686 NH2 ARG A 89 3.856 20.196 14.862 1.00 27.84 N ATOM 0 H ARG A 89 5.676 13.835 17.711 1.00 9.69 H new ATOM 0 HA ARG A 89 3.701 12.862 16.254 1.00 7.62 H new ATOM 0 HB2 ARG A 89 5.856 14.560 15.497 1.00 10.79 H new ATOM 0 HB3 ARG A 89 4.847 14.051 14.423 1.00 10.79 H new ATOM 0 HG2 ARG A 89 3.133 15.277 15.498 1.00 18.66 H new ATOM 0 HG3 ARG A 89 4.190 15.833 16.501 1.00 18.66 H new ATOM 0 HD2 ARG A 89 5.422 16.634 14.517 1.00 17.10 H new ATOM 0 HD3 ARG A 89 4.119 16.347 13.710 1.00 17.10 H new ATOM 0 HE ARG A 89 3.303 17.935 15.536 1.00 22.31 H new ATOM 0 HH11 ARG A 89 5.708 18.309 13.300 1.00 21.67 H new ATOM 0 HH12 ARG A 89 5.646 19.796 13.238 1.00 21.67 H new ATOM 0 HH21 ARG A 89 3.227 20.197 15.448 1.00 27.84 H new ATOM 0 HH22 ARG A 89 4.144 20.939 14.539 1.00 27.84 H new ATOM 687 N LEU A 90 4.614 11.109 14.776 1.00 5.37 N ATOM 688 CA LEU A 90 5.177 9.976 14.043 1.00 6.99 C ATOM 689 C LEU A 90 6.000 10.504 12.872 1.00 7.77 C ATOM 690 O LEU A 90 5.517 11.323 12.088 1.00 9.83 O ATOM 691 CB LEU A 90 4.055 9.084 13.500 1.00 5.99 C ATOM 692 CG LEU A 90 4.440 7.924 12.573 1.00 6.16 C ATOM 693 CD1 LEU A 90 5.211 6.857 13.347 1.00 5.29 C ATOM 694 CD2 LEU A 90 3.170 7.320 11.978 1.00 8.71 C ATOM 0 H LEU A 90 3.767 11.212 14.672 1.00 5.37 H new ATOM 0 HA LEU A 90 5.735 9.456 14.642 1.00 6.99 H new ATOM 0 HB2 LEU A 90 3.578 8.712 14.258 1.00 5.99 H new ATOM 0 HB3 LEU A 90 3.430 9.651 13.022 1.00 5.99 H new ATOM 0 HG LEU A 90 5.009 8.257 11.862 1.00 6.16 H new ATOM 0 HD11 LEU A 90 5.448 6.131 12.749 1.00 5.29 H new ATOM 0 HD12 LEU A 90 6.019 7.246 13.718 1.00 5.29 H new ATOM 0 HD13 LEU A 90 4.657 6.515 14.067 1.00 5.29 H new ATOM 0 HD21 LEU A 90 3.406 6.585 11.390 1.00 8.71 H new ATOM 0 HD22 LEU A 90 2.602 6.992 12.693 1.00 8.71 H new ATOM 0 HD23 LEU A 90 2.695 7.998 11.473 1.00 8.71 H new ATOM 695 N ILE A 91 7.236 10.030 12.752 1.00 4.95 N ATOM 696 CA ILE A 91 8.106 10.459 11.669 1.00 6.28 C ATOM 697 C ILE A 91 8.400 9.309 10.705 1.00 7.10 C ATOM 698 O ILE A 91 8.494 9.521 9.495 1.00 6.40 O ATOM 699 CB ILE A 91 9.435 11.062 12.217 1.00 6.74 C ATOM 700 CG1 ILE A 91 10.342 11.464 11.053 1.00 9.22 C ATOM 701 CG2 ILE A 91 10.136 10.070 13.133 1.00 4.95 C ATOM 702 CD1 ILE A 91 11.522 12.311 11.470 1.00 13.72 C ATOM 0 H ILE A 91 7.588 9.458 13.289 1.00 4.95 H new ATOM 0 HA ILE A 91 7.637 11.153 11.179 1.00 6.28 H new ATOM 0 HB ILE A 91 9.230 11.854 12.738 1.00 6.74 H new ATOM 0 HG12 ILE A 91 10.668 10.662 10.615 1.00 9.22 H new ATOM 0 HG13 ILE A 91 9.818 11.952 10.398 1.00 9.22 H new ATOM 0 HG21 ILE A 91 10.960 10.461 13.464 1.00 4.95 H new ATOM 0 HG22 ILE A 91 9.557 9.855 13.881 1.00 4.95 H new ATOM 0 HG23 ILE A 91 10.339 9.260 12.639 1.00 4.95 H new ATOM 0 HD11 ILE A 91 12.055 12.531 10.690 1.00 13.72 H new ATOM 0 HD12 ILE A 91 11.204 13.128 11.884 1.00 13.72 H new ATOM 0 HD13 ILE A 91 12.066 11.818 12.104 1.00 13.72 H new ATOM 703 N GLN A 92 8.513 8.093 11.236 1.00 6.24 N ATOM 704 CA GLN A 92 8.790 6.915 10.411 1.00 6.90 C ATOM 705 C GLN A 92 8.634 5.617 11.195 1.00 6.80 C ATOM 706 O GLN A 92 8.512 5.631 12.417 1.00 4.95 O ATOM 707 CB GLN A 92 10.229 6.971 9.868 1.00 6.51 C ATOM 708 CG GLN A 92 11.319 7.086 10.962 1.00 5.92 C ATOM 709 CD GLN A 92 12.149 5.814 11.149 1.00 6.44 C ATOM 710 OE1 GLN A 92 11.613 4.709 11.217 1.00 8.31 O ATOM 711 NE2 GLN A 92 13.466 5.976 11.249 1.00 9.53 N ATOM 0 H GLN A 92 8.432 7.927 12.076 1.00 6.24 H new ATOM 0 HA GLN A 92 8.146 6.926 9.686 1.00 6.90 H new ATOM 0 HB2 GLN A 92 10.396 6.173 9.342 1.00 6.51 H new ATOM 0 HB3 GLN A 92 10.308 7.728 9.267 1.00 6.51 H new ATOM 0 HG2 GLN A 92 11.913 7.819 10.738 1.00 5.92 H new ATOM 0 HG3 GLN A 92 10.896 7.312 11.805 1.00 5.92 H new ATOM 0 HE21 GLN A 92 13.808 6.764 11.197 1.00 9.53 H new ATOM 0 HE22 GLN A 92 13.976 5.293 11.366 1.00 9.53 H new ATOM 712 N PHE A 93 8.588 4.496 10.478 1.00 6.49 N ATOM 713 CA PHE A 93 8.565 3.195 11.132 1.00 7.02 C ATOM 714 C PHE A 93 9.444 2.265 10.308 1.00 7.45 C ATOM 715 O PHE A 93 9.664 2.483 9.110 1.00 5.58 O ATOM 716 CB PHE A 93 7.133 2.633 11.348 1.00 4.95 C ATOM 717 CG PHE A 93 6.446 2.122 10.101 1.00 7.41 C ATOM 718 CD1 PHE A 93 6.876 0.960 9.462 1.00 10.31 C ATOM 719 CD2 PHE A 93 5.325 2.780 9.605 1.00 5.92 C ATOM 720 CE1 PHE A 93 6.196 0.461 8.346 1.00 5.51 C ATOM 721 CE2 PHE A 93 4.636 2.292 8.495 1.00 7.39 C ATOM 722 CZ PHE A 93 5.073 1.129 7.863 1.00 10.65 C ATOM 0 H PHE A 93 8.570 4.469 9.619 1.00 6.49 H new ATOM 0 HA PHE A 93 8.913 3.279 12.034 1.00 7.02 H new ATOM 0 HB2 PHE A 93 7.179 1.911 11.994 1.00 4.95 H new ATOM 0 HB3 PHE A 93 6.584 3.330 11.740 1.00 4.95 H new ATOM 0 HD1 PHE A 93 7.625 0.511 9.782 1.00 10.31 H new ATOM 0 HD2 PHE A 93 5.030 3.558 10.020 1.00 5.92 H new ATOM 0 HE1 PHE A 93 6.493 -0.315 7.928 1.00 5.51 H new ATOM 0 HE2 PHE A 93 3.887 2.742 8.177 1.00 7.39 H new ATOM 0 HZ PHE A 93 4.617 0.800 7.122 1.00 10.65 H new ATOM 723 N HIS A 94 9.993 1.256 10.970 1.00 4.95 N ATOM 724 CA HIS A 94 10.865 0.302 10.314 1.00 4.95 C ATOM 725 C HIS A 94 10.851 -0.977 11.129 1.00 6.07 C ATOM 726 O HIS A 94 10.200 -1.046 12.170 1.00 4.95 O ATOM 727 CB HIS A 94 12.293 0.846 10.244 1.00 4.95 C ATOM 728 CG HIS A 94 12.877 1.163 11.584 1.00 5.80 C ATOM 729 ND1 HIS A 94 12.645 2.356 12.234 1.00 5.89 N ATOM 730 CD2 HIS A 94 13.651 0.426 12.415 1.00 5.95 C ATOM 731 CE1 HIS A 94 13.249 2.341 13.408 1.00 6.54 C ATOM 732 NE2 HIS A 94 13.866 1.181 13.542 1.00 6.49 N ATOM 0 H HIS A 94 9.870 1.108 11.808 1.00 4.95 H new ATOM 0 HA HIS A 94 10.556 0.139 9.409 1.00 4.95 H new ATOM 0 HB2 HIS A 94 12.858 0.195 9.799 1.00 4.95 H new ATOM 0 HB3 HIS A 94 12.300 1.648 9.698 1.00 4.95 H new ATOM 0 HD1 HIS A 94 12.179 3.009 11.923 1.00 5.89 H new ATOM 0 HD2 HIS A 94 13.976 -0.430 12.253 1.00 5.95 H new ATOM 0 HE1 HIS A 94 13.241 3.029 14.033 1.00 6.54 H new ATOM 733 N PHE A 95 11.582 -1.981 10.655 1.00 4.95 N ATOM 734 CA PHE A 95 11.649 -3.268 11.334 1.00 4.95 C ATOM 735 C PHE A 95 13.084 -3.748 11.503 1.00 7.48 C ATOM 736 O PHE A 95 14.011 -3.239 10.871 1.00 4.95 O ATOM 737 CB PHE A 95 10.919 -4.361 10.534 1.00 4.95 C ATOM 738 CG PHE A 95 9.478 -4.061 10.217 1.00 8.56 C ATOM 739 CD1 PHE A 95 9.139 -3.210 9.166 1.00 6.25 C ATOM 740 CD2 PHE A 95 8.456 -4.684 10.929 1.00 6.53 C ATOM 741 CE1 PHE A 95 7.802 -2.989 8.824 1.00 4.95 C ATOM 742 CE2 PHE A 95 7.117 -4.469 10.597 1.00 6.83 C ATOM 743 CZ PHE A 95 6.789 -3.621 9.541 1.00 4.95 C ATOM 0 H PHE A 95 12.050 -1.935 9.935 1.00 4.95 H new ATOM 0 HA PHE A 95 11.232 -3.128 12.198 1.00 4.95 H new ATOM 0 HB2 PHE A 95 11.396 -4.507 9.702 1.00 4.95 H new ATOM 0 HB3 PHE A 95 10.960 -5.191 11.034 1.00 4.95 H new ATOM 0 HD1 PHE A 95 9.812 -2.784 8.686 1.00 6.25 H new ATOM 0 HD2 PHE A 95 8.668 -5.251 11.635 1.00 6.53 H new ATOM 0 HE1 PHE A 95 7.589 -2.421 8.119 1.00 4.95 H new ATOM 0 HE2 PHE A 95 6.444 -4.892 11.080 1.00 6.83 H new ATOM 0 HZ PHE A 95 5.898 -3.478 9.316 1.00 4.95 H new ATOM 744 N HIS A 96 13.231 -4.750 12.365 1.00 6.84 N ATOM 745 CA HIS A 96 14.491 -5.429 12.630 1.00 5.83 C ATOM 746 C HIS A 96 14.049 -6.881 12.532 1.00 5.14 C ATOM 747 O HIS A 96 13.017 -7.248 13.095 1.00 4.95 O ATOM 748 CB HIS A 96 14.992 -5.124 14.042 1.00 7.63 C ATOM 749 CG HIS A 96 15.380 -3.695 14.242 1.00 7.77 C ATOM 750 ND1 HIS A 96 16.633 -3.213 13.928 1.00 7.24 N ATOM 751 CD2 HIS A 96 14.665 -2.631 14.676 1.00 7.17 C ATOM 752 CE1 HIS A 96 16.673 -1.914 14.162 1.00 7.83 C ATOM 753 NE2 HIS A 96 15.491 -1.536 14.615 1.00 4.95 N ATOM 0 H HIS A 96 12.576 -5.062 12.827 1.00 6.84 H new ATOM 0 HA HIS A 96 15.216 -5.176 12.037 1.00 5.83 H new ATOM 0 HB2 HIS A 96 14.299 -5.356 14.680 1.00 7.63 H new ATOM 0 HB3 HIS A 96 15.756 -5.689 14.235 1.00 7.63 H new ATOM 0 HD1 HIS A 96 17.286 -3.684 13.627 1.00 7.24 H new ATOM 0 HD2 HIS A 96 13.780 -2.640 14.962 1.00 7.17 H new ATOM 0 HE1 HIS A 96 17.408 -1.360 14.030 1.00 7.83 H new ATOM 754 N TRP A 97 14.793 -7.709 11.806 1.00 4.95 N ATOM 755 CA TRP A 97 14.386 -9.103 11.667 1.00 5.63 C ATOM 756 C TRP A 97 15.574 -10.044 11.562 1.00 4.95 C ATOM 757 O TRP A 97 16.709 -9.604 11.390 1.00 6.10 O ATOM 758 CB TRP A 97 13.478 -9.256 10.443 1.00 7.74 C ATOM 759 CG TRP A 97 14.132 -8.877 9.152 1.00 6.44 C ATOM 760 CD1 TRP A 97 14.813 -9.700 8.301 1.00 9.06 C ATOM 761 CD2 TRP A 97 14.172 -7.570 8.566 1.00 8.44 C ATOM 762 NE1 TRP A 97 15.272 -8.986 7.217 1.00 6.59 N ATOM 763 CE2 TRP A 97 14.891 -7.676 7.355 1.00 7.55 C ATOM 764 CE3 TRP A 97 13.667 -6.319 8.946 1.00 8.05 C ATOM 765 CZ2 TRP A 97 15.118 -6.578 6.520 1.00 8.88 C ATOM 766 CZ3 TRP A 97 13.895 -5.226 8.116 1.00 4.95 C ATOM 767 CH2 TRP A 97 14.615 -5.364 6.916 1.00 6.99 C ATOM 0 H TRP A 97 15.517 -7.492 11.396 1.00 4.95 H new ATOM 0 HA TRP A 97 13.900 -9.348 12.470 1.00 5.63 H new ATOM 0 HB2 TRP A 97 13.179 -10.177 10.386 1.00 7.74 H new ATOM 0 HB3 TRP A 97 12.687 -8.709 10.568 1.00 7.74 H new ATOM 0 HD1 TRP A 97 14.947 -10.611 8.434 1.00 9.06 H new ATOM 0 HE1 TRP A 97 15.724 -9.309 6.560 1.00 6.59 H new ATOM 0 HE3 TRP A 97 13.189 -6.221 9.738 1.00 8.05 H new ATOM 0 HZ2 TRP A 97 15.593 -6.667 5.725 1.00 8.88 H new ATOM 0 HZ3 TRP A 97 13.566 -4.391 8.359 1.00 4.95 H new ATOM 0 HH2 TRP A 97 14.753 -4.617 6.380 1.00 6.99 H new ATOM 768 N GLY A 98 15.307 -11.341 11.662 1.00 4.95 N ATOM 769 CA GLY A 98 16.383 -12.312 11.599 1.00 5.17 C ATOM 770 C GLY A 98 16.496 -13.131 10.326 1.00 9.16 C ATOM 771 O GLY A 98 15.763 -12.922 9.355 1.00 8.18 O ATOM 0 H GLY A 98 14.520 -11.673 11.765 1.00 4.95 H new ATOM 0 HA2 GLY A 98 17.221 -11.842 11.731 1.00 5.17 H new ATOM 0 HA3 GLY A 98 16.281 -12.925 12.344 1.00 5.17 H new ATOM 772 N SER A 99 17.441 -14.068 10.340 1.00 9.10 N ATOM 773 CA SER A 99 17.679 -14.961 9.211 1.00 9.46 C ATOM 774 C SER A 99 16.844 -16.227 9.391 1.00 11.62 C ATOM 775 O SER A 99 16.671 -17.005 8.453 1.00 10.20 O ATOM 776 CB SER A 99 19.161 -15.328 9.137 1.00 10.48 C ATOM 777 OG SER A 99 19.607 -15.867 10.371 1.00 12.09 O ATOM 0 H SER A 99 17.964 -14.204 11.009 1.00 9.10 H new ATOM 0 HA SER A 99 17.426 -14.515 8.388 1.00 9.46 H new ATOM 0 HB2 SER A 99 19.304 -15.973 8.427 1.00 10.48 H new ATOM 0 HB3 SER A 99 19.683 -14.541 8.915 1.00 10.48 H new ATOM 0 HG SER A 99 20.061 -15.291 10.781 1.00 12.09 H new ATOM 778 N LEU A 100 16.336 -16.414 10.608 1.00 9.01 N ATOM 779 CA LEU A 100 15.508 -17.565 10.973 1.00 10.03 C ATOM 780 C LEU A 100 14.344 -17.066 11.840 1.00 9.89 C ATOM 781 O LEU A 100 14.456 -16.022 12.479 1.00 9.34 O ATOM 782 CB LEU A 100 16.339 -18.577 11.767 1.00 13.60 C ATOM 783 CG LEU A 100 17.603 -19.128 11.098 1.00 14.34 C ATOM 784 CD1 LEU A 100 18.420 -19.908 12.119 1.00 18.74 C ATOM 785 CD2 LEU A 100 17.221 -20.014 9.921 1.00 15.43 C ATOM 0 H LEU A 100 16.465 -15.865 11.258 1.00 9.01 H new ATOM 0 HA LEU A 100 15.172 -17.997 10.172 1.00 10.03 H new ATOM 0 HB2 LEU A 100 16.599 -18.161 12.604 1.00 13.60 H new ATOM 0 HB3 LEU A 100 15.766 -19.327 11.990 1.00 13.60 H new ATOM 0 HG LEU A 100 18.142 -18.394 10.765 1.00 14.34 H new ATOM 0 HD11 LEU A 100 19.220 -20.257 11.695 1.00 18.74 H new ATOM 0 HD12 LEU A 100 18.671 -19.321 12.849 1.00 18.74 H new ATOM 0 HD13 LEU A 100 17.890 -20.644 12.464 1.00 18.74 H new ATOM 0 HD21 LEU A 100 18.025 -20.360 9.502 1.00 15.43 H new ATOM 0 HD22 LEU A 100 16.677 -20.753 10.235 1.00 15.43 H new ATOM 0 HD23 LEU A 100 16.717 -19.495 9.275 1.00 15.43 H new ATOM 786 N ASP A 101 13.241 -17.815 11.874 1.00 7.73 N ATOM 787 CA ASP A 101 12.066 -17.410 12.652 1.00 8.03 C ATOM 788 C ASP A 101 12.308 -17.296 14.158 1.00 9.35 C ATOM 789 O ASP A 101 11.584 -16.582 14.853 1.00 12.16 O ATOM 790 CB ASP A 101 10.892 -18.373 12.424 1.00 10.76 C ATOM 791 CG ASP A 101 10.441 -18.435 10.973 1.00 16.16 C ATOM 792 OD1 ASP A 101 10.753 -17.516 10.191 1.00 12.84 O ATOM 793 OD2 ASP A 101 9.749 -19.413 10.616 1.00 20.99 O ATOM 0 H ASP A 101 13.152 -18.560 11.454 1.00 7.73 H new ATOM 0 HA ASP A 101 11.857 -16.521 12.324 1.00 8.03 H new ATOM 0 HB2 ASP A 101 11.149 -19.262 12.715 1.00 10.76 H new ATOM 0 HB3 ASP A 101 10.144 -18.099 12.978 1.00 10.76 H new ATOM 794 N GLY A 102 13.330 -17.985 14.656 1.00 10.19 N ATOM 795 CA GLY A 102 13.623 -17.957 16.082 1.00 9.61 C ATOM 796 C GLY A 102 14.436 -16.775 16.588 1.00 10.06 C ATOM 797 O GLY A 102 14.778 -16.712 17.770 1.00 9.50 O ATOM 0 H GLY A 102 13.862 -18.472 14.187 1.00 10.19 H new ATOM 0 HA2 GLY A 102 12.782 -17.975 16.565 1.00 9.61 H new ATOM 0 HA3 GLY A 102 14.098 -18.771 16.310 1.00 9.61 H new ATOM 798 N GLN A 103 14.754 -15.833 15.708 1.00 8.10 N ATOM 799 CA GLN A 103 15.523 -14.664 16.117 1.00 5.89 C ATOM 800 C GLN A 103 15.146 -13.480 15.245 1.00 9.86 C ATOM 801 O GLN A 103 14.558 -13.656 14.178 1.00 5.56 O ATOM 802 CB GLN A 103 17.024 -14.948 15.999 1.00 10.83 C ATOM 803 CG GLN A 103 17.518 -15.166 14.575 1.00 10.39 C ATOM 804 CD GLN A 103 18.895 -15.801 14.531 1.00 14.43 C ATOM 805 OE1 GLN A 103 18.999 -17.008 15.074 1.00 13.09 O flip ATOM 806 NE2 GLN A 103 19.858 -15.215 14.019 1.00 14.66 N flip ATOM 0 H GLN A 103 14.537 -15.850 14.876 1.00 8.10 H new ATOM 0 HA GLN A 103 15.321 -14.458 17.043 1.00 5.89 H new ATOM 0 HB2 GLN A 103 17.513 -14.206 16.388 1.00 10.83 H new ATOM 0 HB3 GLN A 103 17.235 -15.735 16.526 1.00 10.83 H new ATOM 0 HG2 GLN A 103 16.889 -15.731 14.100 1.00 10.39 H new ATOM 0 HG3 GLN A 103 17.542 -14.315 14.110 1.00 10.39 H new ATOM 0 HE21 GLN A 103 19.753 -14.433 13.676 1.00 14.66 H new ATOM 0 HE22 GLN A 103 20.632 -15.590 14.006 1.00 14.66 H new ATOM 807 N GLY A 104 15.475 -12.274 15.702 1.00 4.95 N ATOM 808 CA GLY A 104 15.157 -11.092 14.924 1.00 7.75 C ATOM 809 C GLY A 104 14.775 -9.867 15.733 1.00 8.11 C ATOM 810 O GLY A 104 15.101 -8.743 15.345 1.00 8.69 O ATOM 0 H GLY A 104 15.876 -12.124 16.448 1.00 4.95 H new ATOM 0 HA2 GLY A 104 15.923 -10.871 14.372 1.00 7.75 H new ATOM 0 HA3 GLY A 104 14.426 -11.305 14.323 1.00 7.75 H new ATOM 811 N SER A 105 14.083 -10.061 16.854 1.00 4.95 N ATOM 812 CA SER A 105 13.681 -8.913 17.663 1.00 6.05 C ATOM 813 C SER A 105 14.871 -8.361 18.437 1.00 5.15 C ATOM 814 O SER A 105 15.882 -9.043 18.624 1.00 8.44 O ATOM 815 CB SER A 105 12.552 -9.287 18.638 1.00 4.95 C ATOM 816 OG SER A 105 12.974 -10.253 19.588 1.00 6.57 O ATOM 0 H SER A 105 13.841 -10.828 17.158 1.00 4.95 H new ATOM 0 HA SER A 105 13.350 -8.229 17.060 1.00 6.05 H new ATOM 0 HB2 SER A 105 12.247 -8.491 19.100 1.00 4.95 H new ATOM 0 HB3 SER A 105 11.795 -9.633 18.139 1.00 4.95 H new ATOM 0 HG SER A 105 13.058 -9.888 20.340 1.00 6.57 H new ATOM 817 N GLU A 106 14.751 -7.115 18.872 1.00 4.95 N ATOM 818 CA GLU A 106 15.807 -6.472 19.637 1.00 4.95 C ATOM 819 C GLU A 106 15.493 -6.660 21.113 1.00 5.04 C ATOM 820 O GLU A 106 16.319 -7.172 21.869 1.00 5.94 O ATOM 821 CB GLU A 106 15.904 -4.999 19.241 1.00 4.95 C ATOM 822 CG GLU A 106 16.224 -4.849 17.755 1.00 5.86 C ATOM 823 CD GLU A 106 16.911 -3.545 17.424 1.00 5.99 C ATOM 824 OE1 GLU A 106 16.296 -2.475 17.618 1.00 6.20 O ATOM 825 OE2 GLU A 106 18.071 -3.598 16.968 1.00 6.55 O ATOM 0 H GLU A 106 14.060 -6.621 18.733 1.00 4.95 H new ATOM 0 HA GLU A 106 16.673 -6.868 19.452 1.00 4.95 H new ATOM 0 HB2 GLU A 106 15.067 -4.551 19.441 1.00 4.95 H new ATOM 0 HB3 GLU A 106 16.592 -4.564 19.769 1.00 4.95 H new ATOM 0 HG2 GLU A 106 16.790 -5.586 17.476 1.00 5.86 H new ATOM 0 HG3 GLU A 106 15.402 -4.913 17.245 1.00 5.86 H new ATOM 826 N HIS A 107 14.300 -6.259 21.538 1.00 6.20 N ATOM 827 CA HIS A 107 13.935 -6.498 22.923 1.00 5.25 C ATOM 828 C HIS A 107 13.550 -7.966 22.991 1.00 6.75 C ATOM 829 O HIS A 107 13.172 -8.561 21.979 1.00 5.30 O ATOM 830 CB HIS A 107 12.727 -5.662 23.346 1.00 4.95 C ATOM 831 CG HIS A 107 13.011 -4.200 23.444 1.00 6.83 C ATOM 832 ND1 HIS A 107 12.913 -3.349 22.364 1.00 4.95 N ATOM 833 CD2 HIS A 107 13.435 -3.445 24.484 1.00 4.95 C ATOM 834 CE1 HIS A 107 13.266 -2.132 22.737 1.00 9.45 C ATOM 835 NE2 HIS A 107 13.587 -2.164 24.019 1.00 4.95 N ATOM 0 H HIS A 107 13.708 -5.861 21.058 1.00 6.20 H new ATOM 0 HA HIS A 107 14.670 -6.261 23.510 1.00 5.25 H new ATOM 0 HB2 HIS A 107 12.009 -5.801 22.709 1.00 4.95 H new ATOM 0 HB3 HIS A 107 12.409 -5.980 24.206 1.00 4.95 H new ATOM 0 HD1 HIS A 107 12.662 -3.575 21.573 1.00 4.95 H new ATOM 0 HD2 HIS A 107 13.594 -3.740 25.352 1.00 4.95 H new ATOM 0 HE1 HIS A 107 13.285 -1.380 22.190 1.00 9.45 H new ATOM 0 HE2 HIS A 107 13.849 -1.491 24.486 1.00 4.95 H new ATOM 836 N THR A 108 13.663 -8.552 24.176 1.00 7.76 N ATOM 837 CA THR A 108 13.276 -9.940 24.371 1.00 6.77 C ATOM 838 C THR A 108 12.339 -9.958 25.575 1.00 6.96 C ATOM 839 O THR A 108 12.348 -9.035 26.387 1.00 7.63 O ATOM 840 CB THR A 108 14.500 -10.867 24.624 1.00 4.95 C ATOM 841 OG1 THR A 108 15.305 -10.345 25.688 1.00 5.36 O ATOM 842 CG2 THR A 108 15.347 -10.996 23.356 1.00 4.95 C ATOM 0 H THR A 108 13.962 -8.161 24.881 1.00 7.76 H new ATOM 0 HA THR A 108 12.847 -10.280 23.570 1.00 6.77 H new ATOM 0 HB THR A 108 14.170 -11.745 24.873 1.00 4.95 H new ATOM 0 HG1 THR A 108 15.045 -10.665 26.420 1.00 5.36 H new ATOM 0 HG21 THR A 108 16.105 -11.576 23.530 1.00 4.95 H new ATOM 0 HG22 THR A 108 14.808 -11.374 22.644 1.00 4.95 H new ATOM 0 HG23 THR A 108 15.666 -10.120 23.089 1.00 4.95 H new ATOM 843 N VAL A 109 11.505 -10.987 25.666 1.00 6.82 N ATOM 844 CA VAL A 109 10.563 -11.109 26.775 1.00 8.07 C ATOM 845 C VAL A 109 10.901 -12.407 27.493 1.00 6.32 C ATOM 846 O VAL A 109 10.679 -13.494 26.959 1.00 6.65 O ATOM 847 CB VAL A 109 9.113 -11.147 26.259 1.00 8.13 C ATOM 848 CG1 VAL A 109 8.142 -11.312 27.427 1.00 7.10 C ATOM 849 CG2 VAL A 109 8.809 -9.865 25.493 1.00 5.20 C ATOM 0 H VAL A 109 11.468 -11.628 25.094 1.00 6.82 H new ATOM 0 HA VAL A 109 10.634 -10.348 27.372 1.00 8.07 H new ATOM 0 HB VAL A 109 9.006 -11.904 25.662 1.00 8.13 H new ATOM 0 HG11 VAL A 109 7.232 -11.335 27.091 1.00 7.10 H new ATOM 0 HG12 VAL A 109 8.335 -12.140 27.894 1.00 7.10 H new ATOM 0 HG13 VAL A 109 8.242 -10.566 28.039 1.00 7.10 H new ATOM 0 HG21 VAL A 109 7.895 -9.891 25.169 1.00 5.20 H new ATOM 0 HG22 VAL A 109 8.922 -9.102 26.081 1.00 5.20 H new ATOM 0 HG23 VAL A 109 9.416 -9.785 24.741 1.00 5.20 H new ATOM 850 N ASP A 110 11.437 -12.282 28.703 1.00 7.05 N ATOM 851 CA ASP A 110 11.871 -13.436 29.483 1.00 7.08 C ATOM 852 C ASP A 110 12.849 -14.244 28.632 1.00 7.56 C ATOM 853 O ASP A 110 12.790 -15.477 28.569 1.00 7.45 O ATOM 854 CB ASP A 110 10.676 -14.293 29.922 1.00 8.73 C ATOM 855 CG ASP A 110 9.827 -13.601 30.979 1.00 7.32 C ATOM 856 OD1 ASP A 110 10.383 -12.773 31.732 1.00 9.44 O ATOM 857 OD2 ASP A 110 8.612 -13.888 31.071 1.00 10.90 O ATOM 0 H ASP A 110 11.559 -11.526 29.095 1.00 7.05 H new ATOM 0 HA ASP A 110 12.310 -13.137 30.295 1.00 7.08 H new ATOM 0 HB2 ASP A 110 10.125 -14.496 29.150 1.00 8.73 H new ATOM 0 HB3 ASP A 110 10.998 -15.139 30.271 1.00 8.73 H new ATOM 858 N LYS A 111 13.748 -13.508 27.981 1.00 7.98 N ATOM 859 CA LYS A 111 14.791 -14.046 27.111 1.00 7.47 C ATOM 860 C LYS A 111 14.296 -14.599 25.776 1.00 8.39 C ATOM 861 O LYS A 111 15.099 -15.034 24.949 1.00 9.12 O ATOM 862 CB LYS A 111 15.613 -15.107 27.859 1.00 9.53 C ATOM 863 CG LYS A 111 16.376 -14.555 29.061 1.00 15.76 C ATOM 864 CD LYS A 111 17.436 -13.554 28.622 1.00 16.57 C ATOM 865 CE LYS A 111 18.076 -12.838 29.802 1.00 17.89 C ATOM 866 NZ LYS A 111 18.738 -13.773 30.747 1.00 23.74 N ATOM 0 H LYS A 111 13.767 -12.650 28.036 1.00 7.98 H new ATOM 0 HA LYS A 111 15.349 -13.287 26.880 1.00 7.47 H new ATOM 0 HB2 LYS A 111 15.019 -15.813 28.159 1.00 9.53 H new ATOM 0 HB3 LYS A 111 16.244 -15.510 27.242 1.00 9.53 H new ATOM 0 HG2 LYS A 111 15.757 -14.128 29.673 1.00 15.76 H new ATOM 0 HG3 LYS A 111 16.795 -15.284 29.545 1.00 15.76 H new ATOM 0 HD2 LYS A 111 18.122 -14.014 28.114 1.00 16.57 H new ATOM 0 HD3 LYS A 111 17.035 -12.900 28.028 1.00 16.57 H new ATOM 0 HE2 LYS A 111 18.728 -12.200 29.473 1.00 17.89 H new ATOM 0 HE3 LYS A 111 17.397 -12.332 30.275 1.00 17.89 H new ATOM 0 HZ1 LYS A 111 19.134 -13.309 31.395 1.00 23.74 H new ATOM 0 HZ2 LYS A 111 18.130 -14.317 31.101 1.00 23.74 H new ATOM 0 HZ3 LYS A 111 19.348 -14.253 30.311 1.00 23.74 H new ATOM 867 N LYS A 112 12.983 -14.573 25.552 1.00 8.55 N ATOM 868 CA LYS A 112 12.431 -15.069 24.289 1.00 8.85 C ATOM 869 C LYS A 112 12.640 -14.060 23.159 1.00 8.43 C ATOM 870 O LYS A 112 12.342 -12.876 23.321 1.00 7.73 O ATOM 871 CB LYS A 112 10.929 -15.350 24.412 1.00 10.03 C ATOM 872 CG LYS A 112 10.301 -15.786 23.085 1.00 10.95 C ATOM 873 CD LYS A 112 8.778 -15.891 23.144 1.00 18.35 C ATOM 874 CE LYS A 112 8.218 -16.351 21.795 1.00 19.30 C ATOM 875 NZ LYS A 112 6.732 -16.466 21.795 1.00 25.40 N ATOM 0 H LYS A 112 12.400 -14.276 26.110 1.00 8.55 H new ATOM 0 HA LYS A 112 12.902 -15.892 24.084 1.00 8.85 H new ATOM 0 HB2 LYS A 112 10.786 -16.042 25.076 1.00 10.03 H new ATOM 0 HB3 LYS A 112 10.479 -14.552 24.732 1.00 10.03 H new ATOM 0 HG2 LYS A 112 10.549 -15.153 22.393 1.00 10.95 H new ATOM 0 HG3 LYS A 112 10.669 -16.646 22.827 1.00 10.95 H new ATOM 0 HD2 LYS A 112 8.518 -16.517 23.838 1.00 18.35 H new ATOM 0 HD3 LYS A 112 8.398 -15.031 23.381 1.00 18.35 H new ATOM 0 HE2 LYS A 112 8.490 -15.724 21.106 1.00 19.30 H new ATOM 0 HE3 LYS A 112 8.605 -17.210 21.565 1.00 19.30 H new ATOM 0 HZ1 LYS A 112 6.442 -16.564 20.959 1.00 25.40 H new ATOM 0 HZ2 LYS A 112 6.489 -17.173 22.278 1.00 25.40 H new ATOM 0 HZ3 LYS A 112 6.377 -15.730 22.148 1.00 25.40 H new ATOM 876 N LYS A 113 13.151 -14.540 22.025 1.00 7.17 N ATOM 877 CA LYS A 113 13.380 -13.703 20.846 1.00 7.39 C ATOM 878 C LYS A 113 12.241 -13.942 19.849 1.00 7.78 C ATOM 879 O LYS A 113 11.833 -15.083 19.622 1.00 9.50 O ATOM 880 CB LYS A 113 14.705 -14.067 20.157 1.00 7.93 C ATOM 881 CG LYS A 113 15.984 -13.753 20.936 1.00 9.72 C ATOM 882 CD LYS A 113 17.197 -14.193 20.114 1.00 13.32 C ATOM 883 CE LYS A 113 18.527 -13.787 20.737 1.00 15.79 C ATOM 884 NZ LYS A 113 18.848 -14.552 21.968 1.00 20.29 N ATOM 0 H LYS A 113 13.375 -15.363 21.917 1.00 7.17 H new ATOM 0 HA LYS A 113 13.416 -12.776 21.128 1.00 7.39 H new ATOM 0 HB2 LYS A 113 14.694 -15.017 19.960 1.00 7.93 H new ATOM 0 HB3 LYS A 113 14.744 -13.601 19.307 1.00 7.93 H new ATOM 0 HG2 LYS A 113 16.035 -12.803 21.125 1.00 9.72 H new ATOM 0 HG3 LYS A 113 15.976 -14.212 21.791 1.00 9.72 H new ATOM 0 HD2 LYS A 113 17.177 -15.157 20.010 1.00 13.32 H new ATOM 0 HD3 LYS A 113 17.133 -13.810 19.225 1.00 13.32 H new ATOM 0 HE2 LYS A 113 19.236 -13.917 20.088 1.00 15.79 H new ATOM 0 HE3 LYS A 113 18.505 -12.840 20.947 1.00 15.79 H new ATOM 0 HZ1 LYS A 113 19.656 -14.320 22.259 1.00 20.29 H new ATOM 0 HZ2 LYS A 113 18.244 -14.372 22.596 1.00 20.29 H new ATOM 0 HZ3 LYS A 113 18.837 -15.423 21.788 1.00 20.29 H new ATOM 885 N TYR A 114 11.725 -12.868 19.263 1.00 4.98 N ATOM 886 CA TYR A 114 10.660 -12.972 18.273 1.00 6.24 C ATOM 887 C TYR A 114 11.278 -12.910 16.875 1.00 6.94 C ATOM 888 O TYR A 114 12.456 -12.590 16.733 1.00 8.28 O ATOM 889 CB TYR A 114 9.652 -11.836 18.468 1.00 4.95 C ATOM 890 CG TYR A 114 8.693 -12.082 19.607 1.00 5.30 C ATOM 891 CD1 TYR A 114 7.543 -12.850 19.419 1.00 11.23 C ATOM 892 CD2 TYR A 114 8.941 -11.566 20.877 1.00 8.61 C ATOM 893 CE1 TYR A 114 6.658 -13.092 20.469 1.00 12.30 C ATOM 894 CE2 TYR A 114 8.065 -11.805 21.934 1.00 8.33 C ATOM 895 CZ TYR A 114 6.926 -12.564 21.721 1.00 12.30 C ATOM 896 OH TYR A 114 6.042 -12.774 22.754 1.00 16.22 O ATOM 0 H TYR A 114 11.980 -12.063 19.426 1.00 4.98 H new ATOM 0 HA TYR A 114 10.190 -13.814 18.379 1.00 6.24 H new ATOM 0 HB2 TYR A 114 10.133 -11.009 18.630 1.00 4.95 H new ATOM 0 HB3 TYR A 114 9.147 -11.715 17.648 1.00 4.95 H new ATOM 0 HD1 TYR A 114 7.364 -13.207 18.579 1.00 11.23 H new ATOM 0 HD2 TYR A 114 9.704 -11.054 21.022 1.00 8.61 H new ATOM 0 HE1 TYR A 114 5.894 -13.604 20.330 1.00 12.30 H new ATOM 0 HE2 TYR A 114 8.244 -11.457 22.778 1.00 8.33 H new ATOM 0 HH TYR A 114 6.330 -12.401 23.449 1.00 16.22 H new ATOM 897 N ALA A 115 10.489 -13.220 15.848 1.00 7.80 N ATOM 898 CA ALA A 115 10.987 -13.214 14.468 1.00 5.87 C ATOM 899 C ALA A 115 11.377 -11.831 13.942 1.00 6.82 C ATOM 900 O ALA A 115 12.221 -11.710 13.047 1.00 6.15 O ATOM 901 CB ALA A 115 9.951 -13.842 13.543 1.00 7.80 C ATOM 0 H ALA A 115 9.661 -13.437 15.927 1.00 7.80 H new ATOM 0 HA ALA A 115 11.805 -13.736 14.479 1.00 5.87 H new ATOM 0 HB1 ALA A 115 10.284 -13.836 12.632 1.00 7.80 H new ATOM 0 HB2 ALA A 115 9.782 -14.756 13.819 1.00 7.80 H new ATOM 0 HB3 ALA A 115 9.126 -13.334 13.588 1.00 7.80 H new ATOM 902 N ALA A 116 10.754 -10.793 14.484 1.00 5.28 N ATOM 903 CA ALA A 116 11.042 -9.423 14.069 1.00 5.37 C ATOM 904 C ALA A 116 10.441 -8.460 15.082 1.00 4.95 C ATOM 905 O ALA A 116 9.701 -8.870 15.973 1.00 4.95 O ATOM 906 CB ALA A 116 10.451 -9.152 12.677 1.00 5.61 C ATOM 0 H ALA A 116 10.156 -10.860 15.099 1.00 5.28 H new ATOM 0 HA ALA A 116 12.003 -9.296 14.026 1.00 5.37 H new ATOM 0 HB1 ALA A 116 10.649 -8.240 12.413 1.00 5.61 H new ATOM 0 HB2 ALA A 116 10.841 -9.766 12.035 1.00 5.61 H new ATOM 0 HB3 ALA A 116 9.490 -9.279 12.703 1.00 5.61 H new ATOM 907 N GLU A 117 10.775 -7.181 14.941 1.00 6.17 N ATOM 908 CA GLU A 117 10.255 -6.148 15.828 1.00 4.95 C ATOM 909 C GLU A 117 10.020 -4.886 15.011 1.00 8.28 C ATOM 910 O GLU A 117 10.910 -4.428 14.292 1.00 6.82 O ATOM 911 CB GLU A 117 11.255 -5.857 16.951 1.00 4.95 C ATOM 912 CG GLU A 117 10.701 -5.010 18.093 1.00 5.05 C ATOM 913 CD GLU A 117 11.698 -4.856 19.230 1.00 6.15 C ATOM 914 OE1 GLU A 117 12.359 -5.855 19.582 1.00 4.95 O ATOM 915 OE2 GLU A 117 11.816 -3.744 19.782 1.00 9.64 O ATOM 0 H GLU A 117 11.307 -6.889 14.331 1.00 6.17 H new ATOM 0 HA GLU A 117 9.425 -6.450 16.228 1.00 4.95 H new ATOM 0 HB2 GLU A 117 11.571 -6.700 17.313 1.00 4.95 H new ATOM 0 HB3 GLU A 117 12.025 -5.404 16.573 1.00 4.95 H new ATOM 0 HG2 GLU A 117 10.460 -4.133 17.756 1.00 5.05 H new ATOM 0 HG3 GLU A 117 9.888 -5.417 18.431 1.00 5.05 H new ATOM 916 N LEU A 118 8.811 -4.346 15.120 1.00 4.95 N ATOM 917 CA LEU A 118 8.415 -3.126 14.422 1.00 4.95 C ATOM 918 C LEU A 118 8.640 -1.927 15.337 1.00 5.67 C ATOM 919 O LEU A 118 8.282 -1.962 16.513 1.00 5.76 O ATOM 920 CB LEU A 118 6.931 -3.205 14.045 1.00 5.18 C ATOM 921 CG LEU A 118 6.182 -1.926 13.648 1.00 4.95 C ATOM 922 CD1 LEU A 118 6.763 -1.326 12.374 1.00 5.02 C ATOM 923 CD2 LEU A 118 4.716 -2.271 13.448 1.00 8.07 C ATOM 0 H LEU A 118 8.188 -4.682 15.608 1.00 4.95 H new ATOM 0 HA LEU A 118 8.947 -3.029 13.617 1.00 4.95 H new ATOM 0 HB2 LEU A 118 6.852 -3.829 13.307 1.00 5.18 H new ATOM 0 HB3 LEU A 118 6.460 -3.595 14.798 1.00 5.18 H new ATOM 0 HG LEU A 118 6.277 -1.265 14.351 1.00 4.95 H new ATOM 0 HD11 LEU A 118 6.274 -0.520 12.143 1.00 5.02 H new ATOM 0 HD12 LEU A 118 7.697 -1.108 12.516 1.00 5.02 H new ATOM 0 HD13 LEU A 118 6.688 -1.968 11.650 1.00 5.02 H new ATOM 0 HD21 LEU A 118 4.227 -1.472 13.196 1.00 8.07 H new ATOM 0 HD22 LEU A 118 4.633 -2.935 12.746 1.00 8.07 H new ATOM 0 HD23 LEU A 118 4.351 -2.626 14.274 1.00 8.07 H new ATOM 924 N HIS A 119 9.234 -0.871 14.793 1.00 5.40 N ATOM 925 CA HIS A 119 9.486 0.337 15.564 1.00 4.95 C ATOM 926 C HIS A 119 8.817 1.552 14.922 1.00 4.95 C ATOM 927 O HIS A 119 9.182 1.964 13.818 1.00 5.40 O ATOM 928 CB HIS A 119 10.996 0.587 15.690 1.00 4.95 C ATOM 929 CG HIS A 119 11.693 -0.368 16.612 1.00 4.95 C ATOM 930 ND1 HIS A 119 13.058 -0.561 16.592 1.00 4.95 N ATOM 931 CD2 HIS A 119 11.216 -1.171 17.591 1.00 4.95 C ATOM 932 CE1 HIS A 119 13.392 -1.444 17.517 1.00 5.63 C ATOM 933 NE2 HIS A 119 12.291 -1.829 18.138 1.00 5.16 N ATOM 0 H HIS A 119 9.499 -0.835 13.976 1.00 5.40 H new ATOM 0 HA HIS A 119 9.107 0.207 16.447 1.00 4.95 H new ATOM 0 HB2 HIS A 119 11.400 0.527 14.810 1.00 4.95 H new ATOM 0 HB3 HIS A 119 11.140 1.492 16.007 1.00 4.95 H new ATOM 0 HD2 HIS A 119 10.326 -1.261 17.846 1.00 4.95 H new ATOM 0 HE1 HIS A 119 14.254 -1.743 17.699 1.00 5.63 H new ATOM 0 HE2 HIS A 119 12.253 -2.399 18.781 1.00 5.16 H new ATOM 934 N LEU A 120 7.816 2.095 15.608 1.00 4.95 N ATOM 935 CA LEU A 120 7.126 3.299 15.143 1.00 4.95 C ATOM 936 C LEU A 120 7.787 4.430 15.935 1.00 4.95 C ATOM 937 O LEU A 120 7.610 4.538 17.148 1.00 4.95 O ATOM 938 CB LEU A 120 5.626 3.199 15.445 1.00 4.95 C ATOM 939 CG LEU A 120 4.928 2.146 14.572 1.00 5.44 C ATOM 940 CD1 LEU A 120 4.023 1.263 15.414 1.00 7.41 C ATOM 941 CD2 LEU A 120 4.137 2.851 13.467 1.00 8.95 C ATOM 0 H LEU A 120 7.518 1.780 16.351 1.00 4.95 H new ATOM 0 HA LEU A 120 7.196 3.437 14.185 1.00 4.95 H new ATOM 0 HB2 LEU A 120 5.500 2.976 16.381 1.00 4.95 H new ATOM 0 HB3 LEU A 120 5.210 4.063 15.301 1.00 4.95 H new ATOM 0 HG LEU A 120 5.596 1.572 14.165 1.00 5.44 H new ATOM 0 HD11 LEU A 120 3.592 0.606 14.846 1.00 7.41 H new ATOM 0 HD12 LEU A 120 4.551 0.809 16.090 1.00 7.41 H new ATOM 0 HD13 LEU A 120 3.347 1.809 15.845 1.00 7.41 H new ATOM 0 HD21 LEU A 120 3.694 2.189 12.913 1.00 8.95 H new ATOM 0 HD22 LEU A 120 3.473 3.434 13.866 1.00 8.95 H new ATOM 0 HD23 LEU A 120 4.742 3.377 12.921 1.00 8.95 H new ATOM 942 N VAL A 121 8.558 5.256 15.233 1.00 4.95 N ATOM 943 CA VAL A 121 9.327 6.347 15.835 1.00 5.78 C ATOM 944 C VAL A 121 8.576 7.680 15.879 1.00 6.46 C ATOM 945 O VAL A 121 8.060 8.137 14.859 1.00 4.95 O ATOM 946 CB VAL A 121 10.656 6.532 15.050 1.00 6.69 C ATOM 947 CG1 VAL A 121 11.590 7.488 15.781 1.00 4.95 C ATOM 948 CG2 VAL A 121 11.318 5.179 14.841 1.00 4.95 C ATOM 0 H VAL A 121 8.652 5.199 14.380 1.00 4.95 H new ATOM 0 HA VAL A 121 9.494 6.093 16.756 1.00 5.78 H new ATOM 0 HB VAL A 121 10.458 6.922 14.184 1.00 6.69 H new ATOM 0 HG11 VAL A 121 12.411 7.589 15.275 1.00 4.95 H new ATOM 0 HG12 VAL A 121 11.160 8.353 15.874 1.00 4.95 H new ATOM 0 HG13 VAL A 121 11.794 7.132 16.660 1.00 4.95 H new ATOM 0 HG21 VAL A 121 12.147 5.296 14.351 1.00 4.95 H new ATOM 0 HG22 VAL A 121 11.506 4.774 15.702 1.00 4.95 H new ATOM 0 HG23 VAL A 121 10.724 4.602 14.336 1.00 4.95 H new ATOM 949 N HIS A 122 8.525 8.295 17.064 1.00 4.95 N ATOM 950 CA HIS A 122 7.843 9.581 17.260 1.00 6.39 C ATOM 951 C HIS A 122 8.751 10.569 18.002 1.00 6.29 C ATOM 952 O HIS A 122 9.552 10.164 18.847 1.00 6.25 O ATOM 953 CB HIS A 122 6.571 9.416 18.106 1.00 5.51 C ATOM 954 CG HIS A 122 5.688 8.276 17.696 1.00 6.06 C ATOM 955 ND1 HIS A 122 5.996 6.960 17.964 1.00 7.68 N ATOM 956 CD2 HIS A 122 4.474 8.262 17.091 1.00 8.38 C ATOM 957 CE1 HIS A 122 5.010 6.184 17.547 1.00 7.21 C ATOM 958 NE2 HIS A 122 4.074 6.949 17.015 1.00 8.19 N ATOM 0 H HIS A 122 8.885 7.979 17.778 1.00 4.95 H new ATOM 0 HA HIS A 122 7.619 9.913 16.377 1.00 6.39 H new ATOM 0 HB2 HIS A 122 6.828 9.293 19.033 1.00 5.51 H new ATOM 0 HB3 HIS A 122 6.058 10.238 18.061 1.00 5.51 H new ATOM 0 HD1 HIS A 122 6.717 6.686 18.344 1.00 7.68 H new ATOM 0 HD2 HIS A 122 4.001 9.002 16.785 1.00 8.38 H new ATOM 0 HE1 HIS A 122 4.981 5.257 17.616 1.00 7.21 H new ATOM 959 N TRP A 123 8.624 11.863 17.705 1.00 5.65 N ATOM 960 CA TRP A 123 9.440 12.858 18.399 1.00 5.96 C ATOM 961 C TRP A 123 8.595 13.901 19.132 1.00 9.90 C ATOM 962 O TRP A 123 7.530 14.307 18.656 1.00 8.40 O ATOM 963 CB TRP A 123 10.424 13.553 17.442 1.00 5.37 C ATOM 964 CG TRP A 123 9.813 14.206 16.231 1.00 10.62 C ATOM 965 CD1 TRP A 123 9.494 13.604 15.046 1.00 11.16 C ATOM 966 CD2 TRP A 123 9.467 15.592 16.083 1.00 12.21 C ATOM 967 NE1 TRP A 123 8.974 14.528 14.168 1.00 9.01 N ATOM 968 CE2 TRP A 123 8.946 15.755 14.779 1.00 10.28 C ATOM 969 CE3 TRP A 123 9.545 16.710 16.925 1.00 12.52 C ATOM 970 CZ2 TRP A 123 8.505 16.996 14.295 1.00 10.00 C ATOM 971 CZ3 TRP A 123 9.104 17.946 16.443 1.00 12.41 C ATOM 972 CH2 TRP A 123 8.592 18.075 15.139 1.00 7.60 C ATOM 0 H TRP A 123 8.082 12.180 17.117 1.00 5.65 H new ATOM 0 HA TRP A 123 9.948 12.369 19.065 1.00 5.96 H new ATOM 0 HB2 TRP A 123 10.911 14.228 17.941 1.00 5.37 H new ATOM 0 HB3 TRP A 123 11.073 12.898 17.142 1.00 5.37 H new ATOM 0 HD1 TRP A 123 9.611 12.700 14.860 1.00 11.16 H new ATOM 0 HE1 TRP A 123 8.710 14.362 13.367 1.00 9.01 H new ATOM 0 HE3 TRP A 123 9.884 16.631 17.788 1.00 12.52 H new ATOM 0 HZ2 TRP A 123 8.166 17.084 13.433 1.00 10.00 H new ATOM 0 HZ3 TRP A 123 9.150 18.695 16.993 1.00 12.41 H new ATOM 0 HH2 TRP A 123 8.306 18.909 14.843 1.00 7.60 H new ATOM 973 N ASN A 124 9.087 14.310 20.300 1.00 6.26 N ATOM 974 CA ASN A 124 8.425 15.287 21.168 1.00 7.40 C ATOM 975 C ASN A 124 8.351 16.647 20.473 1.00 6.09 C ATOM 976 O ASN A 124 9.382 17.275 20.220 1.00 5.73 O ATOM 977 CB ASN A 124 9.218 15.414 22.470 1.00 8.85 C ATOM 978 CG ASN A 124 8.408 16.019 23.593 1.00 12.23 C ATOM 979 OD1 ASN A 124 7.629 16.943 23.380 1.00 10.47 O ATOM 980 ND2 ASN A 124 8.599 15.505 24.805 1.00 16.38 N ATOM 0 H ASN A 124 9.832 14.021 20.618 1.00 6.26 H new ATOM 0 HA ASN A 124 7.522 14.988 21.360 1.00 7.40 H new ATOM 0 HB2 ASN A 124 9.532 14.537 22.740 1.00 8.85 H new ATOM 0 HB3 ASN A 124 10.004 15.960 22.313 1.00 8.85 H new ATOM 0 HD21 ASN A 124 8.168 15.820 25.479 1.00 16.38 H new ATOM 0 HD22 ASN A 124 9.154 14.857 24.915 1.00 16.38 H new ATOM 981 N THR A 125 7.136 17.108 20.182 1.00 9.07 N ATOM 982 CA THR A 125 6.955 18.378 19.481 1.00 6.72 C ATOM 983 C THR A 125 7.467 19.613 20.226 1.00 10.63 C ATOM 984 O THR A 125 7.669 20.663 19.618 1.00 9.43 O ATOM 985 CB THR A 125 5.470 18.605 19.098 1.00 8.57 C ATOM 986 OG1 THR A 125 4.669 18.683 20.283 1.00 10.29 O ATOM 987 CG2 THR A 125 4.967 17.464 18.220 1.00 13.00 C ATOM 0 H THR A 125 6.405 16.702 20.381 1.00 9.07 H new ATOM 0 HA THR A 125 7.506 18.285 18.688 1.00 6.72 H new ATOM 0 HB THR A 125 5.402 19.437 18.604 1.00 8.57 H new ATOM 0 HG1 THR A 125 3.866 18.807 20.071 1.00 10.29 H new ATOM 0 HG21 THR A 125 4.038 17.619 17.988 1.00 13.00 H new ATOM 0 HG22 THR A 125 5.499 17.420 17.410 1.00 13.00 H new ATOM 0 HG23 THR A 125 5.044 16.626 18.702 1.00 13.00 H new ATOM 988 N LYS A 126 7.685 19.495 21.531 1.00 9.47 N ATOM 989 CA LYS A 126 8.182 20.627 22.311 1.00 13.63 C ATOM 990 C LYS A 126 9.584 21.030 21.841 1.00 12.64 C ATOM 991 O LYS A 126 10.037 22.145 22.111 1.00 10.99 O ATOM 992 CB LYS A 126 8.230 20.267 23.801 1.00 15.69 C ATOM 993 CG LYS A 126 9.323 19.270 24.155 1.00 19.33 C ATOM 994 CD LYS A 126 9.121 18.643 25.530 1.00 23.47 C ATOM 995 CE LYS A 126 9.273 19.651 26.646 1.00 23.32 C ATOM 996 NZ LYS A 126 9.213 18.982 27.977 1.00 27.71 N ATOM 0 H LYS A 126 7.553 18.775 21.983 1.00 9.47 H new ATOM 0 HA LYS A 126 7.576 21.373 22.180 1.00 13.63 H new ATOM 0 HB2 LYS A 126 8.363 21.077 24.317 1.00 15.69 H new ATOM 0 HB3 LYS A 126 7.371 19.901 24.065 1.00 15.69 H new ATOM 0 HG2 LYS A 126 9.347 18.570 23.484 1.00 19.33 H new ATOM 0 HG3 LYS A 126 10.184 19.716 24.130 1.00 19.33 H new ATOM 0 HD2 LYS A 126 8.238 18.244 25.575 1.00 23.47 H new ATOM 0 HD3 LYS A 126 9.763 17.926 25.654 1.00 23.47 H new ATOM 0 HE2 LYS A 126 10.118 20.118 26.552 1.00 23.32 H new ATOM 0 HE3 LYS A 126 8.571 20.318 26.583 1.00 23.32 H new ATOM 0 HZ1 LYS A 126 8.834 19.529 28.568 1.00 27.71 H new ATOM 0 HZ2 LYS A 126 8.732 18.236 27.913 1.00 27.71 H new ATOM 0 HZ3 LYS A 126 10.037 18.780 28.246 1.00 27.71 H new ATOM 997 N TYR A 127 10.259 20.128 21.129 1.00 8.14 N ATOM 998 CA TYR A 127 11.613 20.393 20.655 1.00 8.58 C ATOM 999 C TYR A 127 11.757 20.878 19.206 1.00 9.71 C ATOM 1000 O TYR A 127 12.872 21.000 18.698 1.00 10.43 O ATOM 1001 CB TYR A 127 12.490 19.159 20.906 1.00 8.91 C ATOM 1002 CG TYR A 127 12.598 18.817 22.381 1.00 9.42 C ATOM 1003 CD1 TYR A 127 13.037 19.770 23.303 1.00 10.52 C ATOM 1004 CD2 TYR A 127 12.221 17.561 22.863 1.00 9.13 C ATOM 1005 CE1 TYR A 127 13.093 19.486 24.671 1.00 10.47 C ATOM 1006 CE2 TYR A 127 12.276 17.264 24.234 1.00 7.90 C ATOM 1007 CZ TYR A 127 12.712 18.238 25.127 1.00 12.50 C ATOM 1008 OH TYR A 127 12.760 17.976 26.476 1.00 10.72 O ATOM 0 H TYR A 127 9.949 19.356 20.911 1.00 8.14 H new ATOM 0 HA TYR A 127 11.912 21.156 21.174 1.00 8.58 H new ATOM 0 HB2 TYR A 127 12.122 18.400 20.427 1.00 8.91 H new ATOM 0 HB3 TYR A 127 13.377 19.317 20.547 1.00 8.91 H new ATOM 0 HD1 TYR A 127 13.297 20.610 23.001 1.00 10.52 H new ATOM 0 HD2 TYR A 127 11.929 16.911 22.266 1.00 9.13 H new ATOM 0 HE1 TYR A 127 13.385 20.134 25.271 1.00 10.47 H new ATOM 0 HE2 TYR A 127 12.023 16.424 24.543 1.00 7.90 H new ATOM 0 HH TYR A 127 12.642 17.155 26.606 1.00 10.72 H new ATOM 1009 N GLY A 128 10.636 21.152 18.544 1.00 11.06 N ATOM 1010 CA GLY A 128 10.682 21.688 17.187 1.00 11.13 C ATOM 1011 C GLY A 128 11.001 20.796 15.997 1.00 11.07 C ATOM 1012 O GLY A 128 10.325 20.877 14.968 1.00 9.36 O ATOM 0 H GLY A 128 9.845 21.036 18.860 1.00 11.06 H new ATOM 0 HA2 GLY A 128 9.818 22.093 17.013 1.00 11.13 H new ATOM 0 HA3 GLY A 128 11.336 22.404 17.188 1.00 11.13 H new ATOM 1013 N ASP A 129 12.047 19.985 16.098 1.00 6.86 N ATOM 1014 CA ASP A 129 12.399 19.084 15.005 1.00 9.55 C ATOM 1015 C ASP A 129 13.085 17.828 15.538 1.00 10.46 C ATOM 1016 O ASP A 129 13.558 17.805 16.676 1.00 8.50 O ATOM 1017 CB ASP A 129 13.277 19.797 13.953 1.00 11.62 C ATOM 1018 CG ASP A 129 14.627 20.246 14.494 1.00 17.96 C ATOM 1019 OD1 ASP A 129 15.487 19.387 14.781 1.00 13.95 O ATOM 1020 OD2 ASP A 129 14.834 21.471 14.625 1.00 22.22 O ATOM 0 H ASP A 129 12.563 19.940 16.785 1.00 6.86 H new ATOM 0 HA ASP A 129 11.578 18.813 14.564 1.00 9.55 H new ATOM 0 HB2 ASP A 129 13.420 19.199 13.202 1.00 11.62 H new ATOM 0 HB3 ASP A 129 12.799 20.570 13.613 1.00 11.62 H new ATOM 1021 N PHE A 130 13.109 16.781 14.718 1.00 6.97 N ATOM 1022 CA PHE A 130 13.705 15.504 15.099 1.00 8.79 C ATOM 1023 C PHE A 130 15.157 15.632 15.550 1.00 9.57 C ATOM 1024 O PHE A 130 15.551 15.043 16.557 1.00 7.63 O ATOM 1025 CB PHE A 130 13.612 14.518 13.927 1.00 10.27 C ATOM 1026 CG PHE A 130 14.070 13.127 14.265 1.00 9.16 C ATOM 1027 CD1 PHE A 130 13.225 12.243 14.934 1.00 8.74 C ATOM 1028 CD2 PHE A 130 15.352 12.702 13.928 1.00 10.21 C ATOM 1029 CE1 PHE A 130 13.654 10.954 15.261 1.00 10.88 C ATOM 1030 CE2 PHE A 130 15.789 11.417 14.250 1.00 11.21 C ATOM 1031 CZ PHE A 130 14.938 10.543 14.917 1.00 11.74 C ATOM 0 H PHE A 130 12.780 16.791 13.924 1.00 6.97 H new ATOM 0 HA PHE A 130 13.201 15.174 15.860 1.00 8.79 H new ATOM 0 HB2 PHE A 130 12.693 14.481 13.619 1.00 10.27 H new ATOM 0 HB3 PHE A 130 14.145 14.854 13.190 1.00 10.27 H new ATOM 0 HD1 PHE A 130 12.366 12.514 15.165 1.00 8.74 H new ATOM 0 HD2 PHE A 130 15.925 13.283 13.482 1.00 10.21 H new ATOM 0 HE1 PHE A 130 13.082 10.372 15.708 1.00 10.88 H new ATOM 0 HE2 PHE A 130 16.648 11.145 14.019 1.00 11.21 H new ATOM 0 HZ PHE A 130 15.226 9.686 15.133 1.00 11.74 H new ATOM 1032 N GLY A 131 15.947 16.397 14.798 1.00 10.23 N ATOM 1033 CA GLY A 131 17.350 16.581 15.135 1.00 10.94 C ATOM 1034 C GLY A 131 17.585 17.129 16.531 1.00 9.91 C ATOM 1035 O GLY A 131 18.528 16.726 17.218 1.00 8.21 O ATOM 0 H GLY A 131 15.688 16.815 14.092 1.00 10.23 H new ATOM 0 HA2 GLY A 131 17.807 15.730 15.051 1.00 10.94 H new ATOM 0 HA3 GLY A 131 17.751 17.184 14.490 1.00 10.94 H new ATOM 1036 N LYS A 132 16.736 18.060 16.957 1.00 8.77 N ATOM 1037 CA LYS A 132 16.871 18.648 18.287 1.00 8.02 C ATOM 1038 C LYS A 132 16.373 17.663 19.342 1.00 8.54 C ATOM 1039 O LYS A 132 16.927 17.570 20.434 1.00 4.95 O ATOM 1040 CB LYS A 132 16.057 19.942 18.383 1.00 10.19 C ATOM 1041 CG ALYS A 132 16.162 20.653 19.732 0.50 19.00 C ATOM 1042 CG BLYS A 132 16.380 21.031 17.579 0.50 18.87 C ATOM 1043 CD ALYS A 132 17.299 21.669 19.748 0.50 22.94 C ATOM 1044 CD BLYS A 132 17.778 21.510 17.900 0.50 22.03 C ATOM 1045 CE ALYS A 132 17.030 22.781 18.740 0.50 25.36 C ATOM 1046 CE BLYS A 132 18.050 22.782 17.137 0.50 25.81 C ATOM 1047 NZ ALYS A 132 18.064 23.846 18.744 0.50 28.76 N ATOM 1048 NZ BLYS A 132 17.406 22.679 15.795 0.50 21.42 N ATOM 0 H LYS A 132 16.078 18.364 16.494 1.00 8.77 H new ATOM 0 HA LYS A 132 17.807 18.848 18.442 1.00 8.02 H new ATOM 0 HB2ALYS A 132 16.351 20.549 17.686 0.50 10.19 H new ATOM 0 HB2BLYS A 132 15.132 19.714 18.201 0.50 10.19 H new ATOM 0 HB3ALYS A 132 15.125 19.739 18.208 0.50 10.19 H new ATOM 0 HB3BLYS A 132 16.100 20.242 19.305 0.50 10.19 H new ATOM 0 HG2ALYS A 132 15.324 21.101 19.928 0.50 18.87 H new ATOM 0 HG2BLYS A 132 16.322 20.781 16.644 0.50 18.87 H new ATOM 0 HG3ALYS A 132 16.303 19.998 20.433 0.50 18.87 H new ATOM 0 HG3BLYS A 132 15.743 21.749 17.721 0.50 18.87 H new ATOM 0 HD2ALYS A 132 17.392 22.046 20.637 0.50 22.03 H new ATOM 0 HD2BLYS A 132 17.868 21.666 18.853 0.50 22.03 H new ATOM 0 HD3ALYS A 132 18.137 21.229 19.537 0.50 22.03 H new ATOM 0 HD3BLYS A 132 18.428 20.831 17.661 0.50 22.03 H new ATOM 0 HE2ALYS A 132 16.976 22.396 17.851 0.50 25.81 H new ATOM 0 HE2BLYS A 132 17.700 23.546 17.621 0.50 25.81 H new ATOM 0 HE3ALYS A 132 16.166 23.178 18.930 0.50 25.81 H new ATOM 0 HE3BLYS A 132 19.005 22.920 17.042 0.50 25.81 H new ATOM 0 HZ1ALYS A 132 17.856 24.465 18.139 0.50 21.42 H new ATOM 0 HZ1BLYS A 132 17.732 23.311 15.260 0.50 21.42 H new ATOM 0 HZ2ALYS A 132 18.101 24.221 19.550 0.50 21.42 H new ATOM 0 HZ2BLYS A 132 17.575 21.878 15.445 0.50 21.42 H new ATOM 0 HZ3ALYS A 132 18.856 23.492 18.545 0.50 21.42 H new ATOM 0 HZ3BLYS A 132 16.526 22.786 15.879 0.50 21.42 H new ATOM 1049 N ALA A 133 15.321 16.926 19.003 1.00 4.95 N ATOM 1050 CA ALA A 133 14.731 15.965 19.925 1.00 5.18 C ATOM 1051 C ALA A 133 15.675 14.844 20.360 1.00 5.86 C ATOM 1052 O ALA A 133 15.646 14.436 21.520 1.00 8.63 O ATOM 1053 CB ALA A 133 13.458 15.374 19.311 1.00 5.31 C ATOM 0 H ALA A 133 14.932 16.969 18.237 1.00 4.95 H new ATOM 0 HA ALA A 133 14.524 16.460 20.733 1.00 5.18 H new ATOM 0 HB1 ALA A 133 13.068 14.735 19.927 1.00 5.31 H new ATOM 0 HB2 ALA A 133 12.822 16.085 19.138 1.00 5.31 H new ATOM 0 HB3 ALA A 133 13.677 14.927 18.478 1.00 5.31 H new ATOM 1054 N VAL A 134 16.511 14.345 19.451 1.00 4.95 N ATOM 1055 CA VAL A 134 17.427 13.252 19.805 1.00 6.60 C ATOM 1056 C VAL A 134 18.502 13.656 20.823 1.00 8.29 C ATOM 1057 O VAL A 134 19.215 12.800 21.354 1.00 7.76 O ATOM 1058 CB VAL A 134 18.123 12.641 18.549 1.00 6.79 C ATOM 1059 CG1 VAL A 134 17.084 11.982 17.640 1.00 9.26 C ATOM 1060 CG2 VAL A 134 18.882 13.711 17.789 1.00 9.32 C ATOM 0 H VAL A 134 16.566 14.617 18.637 1.00 4.95 H new ATOM 0 HA VAL A 134 16.859 12.584 20.220 1.00 6.60 H new ATOM 0 HB VAL A 134 18.755 11.967 18.843 1.00 6.79 H new ATOM 0 HG11 VAL A 134 17.526 11.606 16.863 1.00 9.26 H new ATOM 0 HG12 VAL A 134 16.629 11.277 18.126 1.00 9.26 H new ATOM 0 HG13 VAL A 134 16.437 12.646 17.354 1.00 9.26 H new ATOM 0 HG21 VAL A 134 19.308 13.316 17.012 1.00 9.32 H new ATOM 0 HG22 VAL A 134 18.266 14.403 17.502 1.00 9.32 H new ATOM 0 HG23 VAL A 134 19.558 14.100 18.366 1.00 9.32 H new ATOM 1061 N GLN A 135 18.606 14.955 21.092 1.00 5.69 N ATOM 1062 CA GLN A 135 19.578 15.480 22.050 1.00 7.80 C ATOM 1063 C GLN A 135 18.944 15.704 23.423 1.00 5.07 C ATOM 1064 O GLN A 135 19.566 16.305 24.305 1.00 7.64 O ATOM 1065 CB GLN A 135 20.147 16.815 21.553 1.00 9.77 C ATOM 1066 CG GLN A 135 20.862 16.748 20.224 1.00 16.14 C ATOM 1067 CD AGLN A 135 22.073 15.843 20.257 0.50 23.97 C ATOM 1068 CD BGLN A 135 21.224 18.020 19.629 0.50 25.30 C ATOM 1069 OE1AGLN A 135 22.870 15.882 21.195 0.50 29.31 O ATOM 1070 OE1BGLN A 135 21.895 18.827 20.275 0.50 27.77 O ATOM 1071 NE2AGLN A 135 22.228 15.028 19.219 0.50 27.84 N ATOM 1072 NE2BGLN A 135 20.764 18.283 18.410 0.50 25.20 N ATOM 0 H GLN A 135 18.115 15.558 20.724 1.00 5.69 H new ATOM 0 HA GLN A 135 20.286 14.822 22.131 1.00 7.80 H new ATOM 0 HB2 GLN A 135 19.421 17.455 21.483 1.00 9.77 H new ATOM 0 HB3 GLN A 135 20.763 17.157 22.220 1.00 9.77 H new ATOM 0 HG2AGLN A 135 20.245 16.432 19.545 0.50 16.14 H new ATOM 0 HG2BGLN A 135 21.670 16.223 20.338 0.50 16.14 H new ATOM 0 HG3AGLN A 135 21.137 17.641 19.964 0.50 16.14 H new ATOM 0 HG3BGLN A 135 20.298 16.268 19.598 0.50 16.14 H new ATOM 0 HE21AGLN A 135 21.650 15.029 18.582 0.50 25.20 H new ATOM 0 HE21BGLN A 135 20.299 17.694 17.990 0.50 25.20 H new ATOM 0 HE22AGLN A 135 22.906 14.500 19.184 0.50 25.20 H new ATOM 0 HE22BGLN A 135 20.932 19.042 18.042 0.50 25.20 H new ATOM 1073 N GLN A 136 17.714 15.228 23.600 1.00 6.66 N ATOM 1074 CA GLN A 136 16.988 15.398 24.863 1.00 5.89 C ATOM 1075 C GLN A 136 16.639 14.042 25.477 1.00 7.81 C ATOM 1076 O GLN A 136 16.330 13.086 24.760 1.00 8.61 O ATOM 1077 CB GLN A 136 15.705 16.204 24.622 1.00 9.12 C ATOM 1078 CG GLN A 136 15.896 17.401 23.676 1.00 12.34 C ATOM 1079 CD GLN A 136 16.947 18.390 24.169 1.00 14.04 C ATOM 1080 OE1 GLN A 136 17.047 18.547 25.485 1.00 18.53 O flip ATOM 1081 NE2 GLN A 136 17.653 19.014 23.370 1.00 8.58 N flip ATOM 0 H GLN A 136 17.276 14.799 22.997 1.00 6.66 H new ATOM 0 HA GLN A 136 17.560 15.878 25.482 1.00 5.89 H new ATOM 0 HB2 GLN A 136 15.027 15.616 24.254 1.00 9.12 H new ATOM 0 HB3 GLN A 136 15.369 16.525 25.474 1.00 9.12 H new ATOM 0 HG2 GLN A 136 16.152 17.076 22.799 1.00 12.34 H new ATOM 0 HG3 GLN A 136 15.049 17.862 23.571 1.00 12.34 H new ATOM 0 HE21 GLN A 136 17.561 18.887 22.524 1.00 8.58 H new ATOM 0 HE22 GLN A 136 18.237 19.575 23.659 1.00 8.58 H new ATOM 1082 N PRO A 137 16.678 13.943 26.819 1.00 8.58 N ATOM 1083 CA PRO A 137 16.370 12.689 27.512 1.00 6.73 C ATOM 1084 C PRO A 137 14.945 12.190 27.302 1.00 7.83 C ATOM 1085 O PRO A 137 14.665 11.008 27.495 1.00 8.35 O ATOM 1086 CB PRO A 137 16.688 13.018 28.972 1.00 7.99 C ATOM 1087 CG PRO A 137 16.388 14.478 29.060 1.00 9.28 C ATOM 1088 CD PRO A 137 16.994 15.011 27.783 1.00 10.21 C ATOM 0 HA PRO A 137 16.888 11.944 27.168 1.00 6.73 H new ATOM 0 HB2 PRO A 137 16.141 12.501 29.584 1.00 7.99 H new ATOM 0 HB3 PRO A 137 17.614 12.828 29.190 1.00 7.99 H new ATOM 0 HG2 PRO A 137 15.434 14.649 29.106 1.00 9.28 H new ATOM 0 HG3 PRO A 137 16.787 14.882 29.846 1.00 9.28 H new ATOM 0 HD2 PRO A 137 16.604 15.860 27.524 1.00 10.21 H new ATOM 0 HD3 PRO A 137 17.950 15.152 27.867 1.00 10.21 H new ATOM 1089 N ASP A 138 14.048 13.089 26.906 1.00 4.95 N ATOM 1090 CA ASP A 138 12.658 12.715 26.641 1.00 8.63 C ATOM 1091 C ASP A 138 12.278 13.200 25.243 1.00 5.81 C ATOM 1092 O ASP A 138 11.141 13.606 24.999 1.00 6.76 O ATOM 1093 CB ASP A 138 11.725 13.333 27.694 1.00 8.34 C ATOM 1094 CG ASP A 138 11.747 14.855 27.688 1.00 10.72 C ATOM 1095 OD1 ASP A 138 12.665 15.448 27.082 1.00 11.70 O ATOM 1096 OD2 ASP A 138 10.846 15.462 28.311 1.00 13.81 O ATOM 0 H ASP A 138 14.223 13.922 26.784 1.00 4.95 H new ATOM 0 HA ASP A 138 12.565 11.751 26.689 1.00 8.63 H new ATOM 0 HB2 ASP A 138 10.818 13.027 27.535 1.00 8.34 H new ATOM 0 HB3 ASP A 138 11.982 13.014 28.573 1.00 8.34 H new ATOM 1097 N GLY A 139 13.242 13.134 24.328 1.00 5.65 N ATOM 1098 CA GLY A 139 13.020 13.597 22.972 1.00 7.21 C ATOM 1099 C GLY A 139 12.210 12.689 22.067 1.00 6.59 C ATOM 1100 O GLY A 139 11.451 13.172 21.228 1.00 5.42 O ATOM 0 H GLY A 139 14.030 12.824 24.477 1.00 5.65 H new ATOM 0 HA2 GLY A 139 12.574 14.458 23.015 1.00 7.21 H new ATOM 0 HA3 GLY A 139 13.884 13.745 22.557 1.00 7.21 H new ATOM 1101 N LEU A 140 12.367 11.378 22.225 1.00 5.01 N ATOM 1102 CA LEU A 140 11.639 10.437 21.381 1.00 4.95 C ATOM 1103 C LEU A 140 10.799 9.432 22.151 1.00 6.41 C ATOM 1104 O LEU A 140 11.024 9.171 23.333 1.00 5.49 O ATOM 1105 CB LEU A 140 12.608 9.649 20.488 1.00 5.19 C ATOM 1106 CG LEU A 140 13.600 10.334 19.544 1.00 11.46 C ATOM 1107 CD1 LEU A 140 14.223 9.261 18.651 1.00 7.26 C ATOM 1108 CD2 LEU A 140 12.915 11.390 18.698 1.00 10.36 C ATOM 0 H LEU A 140 12.885 11.016 22.809 1.00 5.01 H new ATOM 0 HA LEU A 140 11.038 10.989 20.856 1.00 4.95 H new ATOM 0 HB2 LEU A 140 13.131 9.084 21.078 1.00 5.19 H new ATOM 0 HB3 LEU A 140 12.065 9.061 19.940 1.00 5.19 H new ATOM 0 HG LEU A 140 14.285 10.782 20.064 1.00 11.46 H new ATOM 0 HD11 LEU A 140 14.856 9.673 18.043 1.00 7.26 H new ATOM 0 HD12 LEU A 140 14.682 8.608 19.202 1.00 7.26 H new ATOM 0 HD13 LEU A 140 13.526 8.820 18.141 1.00 7.26 H new ATOM 0 HD21 LEU A 140 13.565 11.807 18.111 1.00 10.36 H new ATOM 0 HD22 LEU A 140 12.218 10.976 18.166 1.00 10.36 H new ATOM 0 HD23 LEU A 140 12.523 12.064 19.276 1.00 10.36 H new ATOM 1109 N ALA A 141 9.824 8.866 21.452 1.00 4.95 N ATOM 1110 CA ALA A 141 8.962 7.833 22.003 1.00 5.58 C ATOM 1111 C ALA A 141 8.869 6.806 20.883 1.00 5.56 C ATOM 1112 O ALA A 141 8.355 7.102 19.809 1.00 6.69 O ATOM 1113 CB ALA A 141 7.577 8.394 22.328 1.00 6.99 C ATOM 0 H ALA A 141 9.643 9.073 20.637 1.00 4.95 H new ATOM 0 HA ALA A 141 9.305 7.463 22.831 1.00 5.58 H new ATOM 0 HB1 ALA A 141 7.020 7.689 22.694 1.00 6.99 H new ATOM 0 HB2 ALA A 141 7.662 9.109 22.978 1.00 6.99 H new ATOM 0 HB3 ALA A 141 7.170 8.740 21.519 1.00 6.99 H new ATOM 1114 N VAL A 142 9.405 5.612 21.108 1.00 4.95 N ATOM 1115 CA VAL A 142 9.331 4.581 20.084 1.00 4.95 C ATOM 1116 C VAL A 142 8.385 3.484 20.550 1.00 6.45 C ATOM 1117 O VAL A 142 8.529 2.958 21.653 1.00 5.83 O ATOM 1118 CB VAL A 142 10.723 3.962 19.774 1.00 4.95 C ATOM 1119 CG1 VAL A 142 10.591 2.924 18.662 1.00 6.00 C ATOM 1120 CG2 VAL A 142 11.696 5.052 19.344 1.00 6.47 C ATOM 0 H VAL A 142 9.808 5.382 21.832 1.00 4.95 H new ATOM 0 HA VAL A 142 9.005 4.994 19.269 1.00 4.95 H new ATOM 0 HB VAL A 142 11.062 3.533 20.575 1.00 4.95 H new ATOM 0 HG11 VAL A 142 11.462 2.541 18.472 1.00 6.00 H new ATOM 0 HG12 VAL A 142 9.984 2.222 18.944 1.00 6.00 H new ATOM 0 HG13 VAL A 142 10.244 3.349 17.862 1.00 6.00 H new ATOM 0 HG21 VAL A 142 12.561 4.657 19.153 1.00 6.47 H new ATOM 0 HG22 VAL A 142 11.359 5.491 18.548 1.00 6.47 H new ATOM 0 HG23 VAL A 142 11.789 5.703 20.057 1.00 6.47 H new ATOM 1121 N LEU A 143 7.400 3.172 19.714 1.00 4.95 N ATOM 1122 CA LEU A 143 6.424 2.125 20.014 1.00 5.43 C ATOM 1123 C LEU A 143 6.942 0.852 19.361 1.00 6.62 C ATOM 1124 O LEU A 143 7.072 0.792 18.139 1.00 7.16 O ATOM 1125 CB LEU A 143 5.055 2.494 19.431 1.00 9.12 C ATOM 1126 CG LEU A 143 3.896 1.517 19.663 1.00 8.68 C ATOM 1127 CD1 LEU A 143 3.673 1.343 21.155 1.00 10.89 C ATOM 1128 CD2 LEU A 143 2.629 2.043 18.998 1.00 9.96 C ATOM 0 H LEU A 143 7.277 3.560 18.957 1.00 4.95 H new ATOM 0 HA LEU A 143 6.316 2.012 20.971 1.00 5.43 H new ATOM 0 HB2 LEU A 143 4.797 3.355 19.796 1.00 9.12 H new ATOM 0 HB3 LEU A 143 5.160 2.611 18.474 1.00 9.12 H new ATOM 0 HG LEU A 143 4.116 0.657 19.272 1.00 8.68 H new ATOM 0 HD11 LEU A 143 2.940 0.725 21.303 1.00 10.89 H new ATOM 0 HD12 LEU A 143 4.479 0.991 21.564 1.00 10.89 H new ATOM 0 HD13 LEU A 143 3.457 2.201 21.552 1.00 10.89 H new ATOM 0 HD21 LEU A 143 1.901 1.420 19.149 1.00 9.96 H new ATOM 0 HD22 LEU A 143 2.399 2.906 19.376 1.00 9.96 H new ATOM 0 HD23 LEU A 143 2.779 2.138 18.044 1.00 9.96 H new ATOM 1129 N GLY A 144 7.248 -0.155 20.173 1.00 4.95 N ATOM 1130 CA GLY A 144 7.762 -1.404 19.638 1.00 5.15 C ATOM 1131 C GLY A 144 6.719 -2.503 19.632 1.00 6.72 C ATOM 1132 O GLY A 144 6.016 -2.699 20.625 1.00 6.65 O ATOM 0 H GLY A 144 7.165 -0.134 21.029 1.00 4.95 H new ATOM 0 HA2 GLY A 144 8.080 -1.259 18.733 1.00 5.15 H new ATOM 0 HA3 GLY A 144 8.525 -1.689 20.165 1.00 5.15 H new ATOM 1133 N ILE A 145 6.630 -3.222 18.516 1.00 4.95 N ATOM 1134 CA ILE A 145 5.666 -4.310 18.355 1.00 7.29 C ATOM 1135 C ILE A 145 6.397 -5.564 17.896 1.00 7.03 C ATOM 1136 O ILE A 145 7.132 -5.534 16.907 1.00 8.20 O ATOM 1137 CB ILE A 145 4.608 -3.986 17.270 1.00 7.08 C ATOM 1138 CG1 ILE A 145 4.098 -2.555 17.433 1.00 16.47 C ATOM 1139 CG2 ILE A 145 3.468 -4.996 17.335 1.00 6.66 C ATOM 1140 CD1 ILE A 145 3.528 -2.257 18.762 1.00 23.05 C ATOM 0 H ILE A 145 7.129 -3.093 17.827 1.00 4.95 H new ATOM 0 HA ILE A 145 5.227 -4.434 19.211 1.00 7.29 H new ATOM 0 HB ILE A 145 5.019 -4.053 16.394 1.00 7.08 H new ATOM 0 HG12 ILE A 145 4.830 -1.941 17.262 1.00 16.47 H new ATOM 0 HG13 ILE A 145 3.422 -2.386 16.758 1.00 16.47 H new ATOM 0 HG21 ILE A 145 2.811 -4.786 16.653 1.00 6.66 H new ATOM 0 HG22 ILE A 145 3.817 -5.888 17.184 1.00 6.66 H new ATOM 0 HG23 ILE A 145 3.050 -4.957 18.210 1.00 6.66 H new ATOM 0 HD11 ILE A 145 3.228 -1.335 18.786 1.00 23.05 H new ATOM 0 HD12 ILE A 145 2.776 -2.846 18.931 1.00 23.05 H new ATOM 0 HD13 ILE A 145 4.205 -2.395 19.443 1.00 23.05 H new ATOM 1141 N PHE A 146 6.193 -6.664 18.609 1.00 7.74 N ATOM 1142 CA PHE A 146 6.830 -7.924 18.245 1.00 4.95 C ATOM 1143 C PHE A 146 6.046 -8.601 17.124 1.00 4.95 C ATOM 1144 O PHE A 146 4.825 -8.479 17.055 1.00 6.37 O ATOM 1145 CB PHE A 146 6.872 -8.861 19.448 1.00 5.48 C ATOM 1146 CG PHE A 146 7.735 -8.374 20.569 1.00 4.95 C ATOM 1147 CD1 PHE A 146 9.106 -8.224 20.391 1.00 4.95 C ATOM 1148 CD2 PHE A 146 7.184 -8.097 21.816 1.00 4.95 C ATOM 1149 CE1 PHE A 146 9.919 -7.808 21.441 1.00 4.95 C ATOM 1150 CE2 PHE A 146 7.989 -7.680 22.875 1.00 4.95 C ATOM 1151 CZ PHE A 146 9.357 -7.537 22.685 1.00 4.95 C ATOM 0 H PHE A 146 5.691 -6.703 19.306 1.00 7.74 H new ATOM 0 HA PHE A 146 7.734 -7.734 17.948 1.00 4.95 H new ATOM 0 HB2 PHE A 146 5.969 -8.988 19.779 1.00 5.48 H new ATOM 0 HB3 PHE A 146 7.193 -9.729 19.159 1.00 5.48 H new ATOM 0 HD1 PHE A 146 9.484 -8.404 19.561 1.00 4.95 H new ATOM 0 HD2 PHE A 146 6.268 -8.191 21.945 1.00 4.95 H new ATOM 0 HE1 PHE A 146 10.835 -7.711 21.312 1.00 4.95 H new ATOM 0 HE2 PHE A 146 7.611 -7.498 23.705 1.00 4.95 H new ATOM 0 HZ PHE A 146 9.898 -7.260 23.389 1.00 4.95 H new ATOM 1152 N LEU A 147 6.763 -9.297 16.246 1.00 5.10 N ATOM 1153 CA LEU A 147 6.153 -10.039 15.143 1.00 4.95 C ATOM 1154 C LEU A 147 6.517 -11.508 15.300 1.00 8.67 C ATOM 1155 O LEU A 147 7.690 -11.847 15.482 1.00 4.95 O ATOM 1156 CB LEU A 147 6.680 -9.558 13.785 1.00 8.76 C ATOM 1157 CG LEU A 147 6.052 -8.337 13.110 1.00 8.09 C ATOM 1158 CD1 LEU A 147 6.265 -7.094 13.966 1.00 10.01 C ATOM 1159 CD2 LEU A 147 6.680 -8.150 11.731 1.00 9.61 C ATOM 0 H LEU A 147 7.621 -9.353 16.272 1.00 5.10 H new ATOM 0 HA LEU A 147 5.193 -9.900 15.170 1.00 4.95 H new ATOM 0 HB2 LEU A 147 7.626 -9.374 13.892 1.00 8.76 H new ATOM 0 HB3 LEU A 147 6.603 -10.301 13.166 1.00 8.76 H new ATOM 0 HG LEU A 147 5.097 -8.476 13.011 1.00 8.09 H new ATOM 0 HD11 LEU A 147 5.863 -6.327 13.529 1.00 10.01 H new ATOM 0 HD12 LEU A 147 5.852 -7.224 14.834 1.00 10.01 H new ATOM 0 HD13 LEU A 147 7.216 -6.939 14.081 1.00 10.01 H new ATOM 0 HD21 LEU A 147 6.286 -7.377 11.298 1.00 9.61 H new ATOM 0 HD22 LEU A 147 7.636 -8.014 11.826 1.00 9.61 H new ATOM 0 HD23 LEU A 147 6.518 -8.940 11.192 1.00 9.61 H new ATOM 1160 N LYS A 148 5.508 -12.375 15.251 1.00 8.45 N ATOM 1161 CA LYS A 148 5.730 -13.813 15.344 1.00 9.52 C ATOM 1162 C LYS A 148 5.240 -14.387 14.022 1.00 10.22 C ATOM 1163 O LYS A 148 4.460 -13.744 13.318 1.00 8.10 O ATOM 1164 CB LYS A 148 4.934 -14.419 16.504 1.00 12.02 C ATOM 1165 CG LYS A 148 3.425 -14.275 16.372 1.00 16.51 C ATOM 1166 CD LYS A 148 2.700 -14.858 17.574 1.00 19.92 C ATOM 1167 CE LYS A 148 2.921 -16.356 17.689 1.00 26.11 C ATOM 1168 NZ LYS A 148 2.173 -16.934 18.846 1.00 30.02 N ATOM 0 H LYS A 148 4.683 -12.148 15.164 1.00 8.45 H new ATOM 0 HA LYS A 148 6.665 -14.014 15.509 1.00 9.52 H new ATOM 0 HB2 LYS A 148 5.153 -15.361 16.575 1.00 12.02 H new ATOM 0 HB3 LYS A 148 5.217 -13.999 17.331 1.00 12.02 H new ATOM 0 HG2 LYS A 148 3.196 -13.337 16.279 1.00 16.51 H new ATOM 0 HG3 LYS A 148 3.126 -14.722 15.565 1.00 16.51 H new ATOM 0 HD2 LYS A 148 3.010 -14.422 18.383 1.00 19.92 H new ATOM 0 HD3 LYS A 148 1.750 -14.675 17.500 1.00 19.92 H new ATOM 0 HE2 LYS A 148 2.637 -16.790 16.869 1.00 26.11 H new ATOM 0 HE3 LYS A 148 3.868 -16.537 17.792 1.00 26.11 H new ATOM 0 HZ1 LYS A 148 2.321 -17.811 18.888 1.00 30.02 H new ATOM 0 HZ2 LYS A 148 2.449 -16.550 19.600 1.00 30.02 H new ATOM 0 HZ3 LYS A 148 1.302 -16.786 18.740 1.00 30.02 H new ATOM 1169 N VAL A 149 5.696 -15.584 13.676 1.00 10.39 N ATOM 1170 CA VAL A 149 5.274 -16.204 12.424 1.00 12.30 C ATOM 1171 C VAL A 149 4.053 -17.098 12.618 1.00 13.32 C ATOM 1172 O VAL A 149 4.048 -17.996 13.464 1.00 11.32 O ATOM 1173 CB VAL A 149 6.426 -17.024 11.798 1.00 15.09 C ATOM 1174 CG1 VAL A 149 5.957 -17.703 10.510 1.00 14.72 C ATOM 1175 CG2 VAL A 149 7.601 -16.107 11.504 1.00 12.10 C ATOM 0 H VAL A 149 6.245 -16.051 14.145 1.00 10.39 H new ATOM 0 HA VAL A 149 5.031 -15.485 11.820 1.00 12.30 H new ATOM 0 HB VAL A 149 6.703 -17.710 12.425 1.00 15.09 H new ATOM 0 HG11 VAL A 149 6.688 -18.213 10.128 1.00 14.72 H new ATOM 0 HG12 VAL A 149 5.217 -18.298 10.709 1.00 14.72 H new ATOM 0 HG13 VAL A 149 5.668 -17.029 9.875 1.00 14.72 H new ATOM 0 HG21 VAL A 149 8.323 -16.622 11.111 1.00 12.10 H new ATOM 0 HG22 VAL A 149 7.324 -15.414 10.884 1.00 12.10 H new ATOM 0 HG23 VAL A 149 7.907 -15.698 12.329 1.00 12.10 H new ATOM 1176 N GLY A 150 3.017 -16.827 11.827 1.00 10.11 N ATOM 1177 CA GLY A 150 1.780 -17.587 11.882 1.00 13.07 C ATOM 1178 C GLY A 150 0.918 -17.197 10.694 1.00 9.33 C ATOM 1179 O GLY A 150 1.340 -17.342 9.551 1.00 10.19 O ATOM 0 H GLY A 150 3.016 -16.195 11.244 1.00 10.11 H new ATOM 0 HA2 GLY A 150 1.968 -18.538 11.863 1.00 13.07 H new ATOM 0 HA3 GLY A 150 1.311 -17.407 12.712 1.00 13.07 H new ATOM 1180 N SER A 151 -0.284 -16.695 10.954 1.00 11.35 N ATOM 1181 CA SER A 151 -1.165 -16.272 9.870 1.00 13.94 C ATOM 1182 C SER A 151 -0.674 -14.923 9.343 1.00 13.85 C ATOM 1183 O SER A 151 -0.012 -14.171 10.062 1.00 12.64 O ATOM 1184 CB SER A 151 -2.609 -16.155 10.364 1.00 15.60 C ATOM 1185 OG SER A 151 -2.716 -15.205 11.407 1.00 22.05 O ATOM 0 H SER A 151 -0.607 -16.591 11.744 1.00 11.35 H new ATOM 0 HA SER A 151 -1.147 -16.932 9.159 1.00 13.94 H new ATOM 0 HB2 SER A 151 -3.186 -15.898 9.628 1.00 15.60 H new ATOM 0 HB3 SER A 151 -2.918 -17.020 10.677 1.00 15.60 H new ATOM 0 HG SER A 151 -3.515 -15.156 11.661 1.00 22.05 H new ATOM 1186 N ALA A 152 -0.995 -14.620 8.090 1.00 10.62 N ATOM 1187 CA ALA A 152 -0.562 -13.367 7.477 1.00 11.90 C ATOM 1188 C ALA A 152 -1.238 -12.131 8.067 1.00 10.51 C ATOM 1189 O ALA A 152 -2.356 -12.197 8.575 1.00 11.74 O ATOM 1190 CB ALA A 152 -0.802 -13.418 5.965 1.00 13.85 C ATOM 0 H ALA A 152 -1.463 -15.126 7.576 1.00 10.62 H new ATOM 0 HA ALA A 152 0.385 -13.280 7.668 1.00 11.90 H new ATOM 0 HB1 ALA A 152 -0.513 -12.584 5.563 1.00 13.85 H new ATOM 0 HB2 ALA A 152 -0.298 -14.153 5.582 1.00 13.85 H new ATOM 0 HB3 ALA A 152 -1.747 -13.550 5.791 1.00 13.85 H new ATOM 1191 N LYS A 153 -0.538 -11.003 7.997 1.00 11.71 N ATOM 1192 CA LYS A 153 -1.051 -9.727 8.485 1.00 11.34 C ATOM 1193 C LYS A 153 -1.462 -8.935 7.237 1.00 13.27 C ATOM 1194 O LYS A 153 -0.615 -8.396 6.526 1.00 11.25 O ATOM 1195 CB LYS A 153 0.049 -8.976 9.246 1.00 10.24 C ATOM 1196 CG LYS A 153 -0.421 -7.730 9.985 1.00 13.14 C ATOM 1197 CD LYS A 153 -1.286 -8.087 11.185 1.00 14.94 C ATOM 1198 CE LYS A 153 -1.651 -6.852 11.987 1.00 16.20 C ATOM 1199 NZ LYS A 153 -2.527 -7.183 13.140 1.00 19.45 N ATOM 0 H LYS A 153 0.253 -10.956 7.663 1.00 11.71 H new ATOM 0 HA LYS A 153 -1.797 -9.849 9.092 1.00 11.34 H new ATOM 0 HB2 LYS A 153 0.454 -9.582 9.886 1.00 10.24 H new ATOM 0 HB3 LYS A 153 0.743 -8.722 8.618 1.00 10.24 H new ATOM 0 HG2 LYS A 153 0.348 -7.218 10.280 1.00 13.14 H new ATOM 0 HG3 LYS A 153 -0.924 -7.163 9.379 1.00 13.14 H new ATOM 0 HD2 LYS A 153 -2.094 -8.530 10.883 1.00 14.94 H new ATOM 0 HD3 LYS A 153 -0.813 -8.716 11.752 1.00 14.94 H new ATOM 0 HE2 LYS A 153 -0.842 -6.424 12.308 1.00 16.20 H new ATOM 0 HE3 LYS A 153 -2.101 -6.214 11.412 1.00 16.20 H new ATOM 0 HZ1 LYS A 153 -2.412 -6.579 13.783 1.00 19.45 H new ATOM 0 HZ2 LYS A 153 -3.377 -7.179 12.878 1.00 19.45 H new ATOM 0 HZ3 LYS A 153 -2.317 -7.990 13.451 1.00 19.45 H new ATOM 1200 N PRO A 154 -2.771 -8.862 6.951 1.00 15.13 N ATOM 1201 CA PRO A 154 -3.243 -8.128 5.769 1.00 14.18 C ATOM 1202 C PRO A 154 -2.664 -6.720 5.636 1.00 12.98 C ATOM 1203 O PRO A 154 -2.237 -6.311 4.555 1.00 13.60 O ATOM 1204 CB PRO A 154 -4.759 -8.109 5.957 1.00 12.61 C ATOM 1205 CG PRO A 154 -5.025 -9.383 6.700 1.00 17.81 C ATOM 1206 CD PRO A 154 -3.907 -9.387 7.730 1.00 16.10 C ATOM 0 HA PRO A 154 -2.957 -8.553 4.946 1.00 14.18 H new ATOM 0 HB2 PRO A 154 -5.048 -7.332 6.461 1.00 12.61 H new ATOM 0 HB3 PRO A 154 -5.226 -8.085 5.107 1.00 12.61 H new ATOM 0 HG2 PRO A 154 -5.902 -9.385 7.115 1.00 17.81 H new ATOM 0 HG3 PRO A 154 -4.985 -10.158 6.118 1.00 17.81 H new ATOM 0 HD2 PRO A 154 -4.114 -8.825 8.493 1.00 16.10 H new ATOM 0 HD3 PRO A 154 -3.732 -10.278 8.072 1.00 16.10 H new ATOM 1207 N GLY A 155 -2.646 -5.990 6.745 1.00 11.49 N ATOM 1208 CA GLY A 155 -2.147 -4.626 6.739 1.00 14.84 C ATOM 1209 C GLY A 155 -0.673 -4.436 6.435 1.00 12.97 C ATOM 1210 O GLY A 155 -0.225 -3.307 6.256 1.00 15.84 O ATOM 0 H GLY A 155 -2.919 -6.268 7.511 1.00 11.49 H new ATOM 0 HA2 GLY A 155 -2.657 -4.121 6.087 1.00 14.84 H new ATOM 0 HA3 GLY A 155 -2.329 -4.234 7.607 1.00 14.84 H new ATOM 1211 N LEU A 156 0.085 -5.526 6.375 1.00 11.91 N ATOM 1212 CA LEU A 156 1.512 -5.439 6.084 1.00 8.90 C ATOM 1213 C LEU A 156 1.840 -5.771 4.629 1.00 9.19 C ATOM 1214 O LEU A 156 2.914 -5.426 4.132 1.00 9.78 O ATOM 1215 CB LEU A 156 2.285 -6.388 7.005 1.00 11.25 C ATOM 1216 CG LEU A 156 3.778 -6.576 6.717 1.00 11.40 C ATOM 1217 CD1 LEU A 156 4.518 -5.262 6.913 1.00 12.30 C ATOM 1218 CD2 LEU A 156 4.339 -7.648 7.633 1.00 10.84 C ATOM 0 H LEU A 156 -0.207 -6.325 6.500 1.00 11.91 H new ATOM 0 HA LEU A 156 1.778 -4.519 6.239 1.00 8.90 H new ATOM 0 HB2 LEU A 156 2.192 -6.066 7.915 1.00 11.25 H new ATOM 0 HB3 LEU A 156 1.859 -7.259 6.967 1.00 11.25 H new ATOM 0 HG LEU A 156 3.896 -6.857 5.796 1.00 11.40 H new ATOM 0 HD11 LEU A 156 5.462 -5.391 6.729 1.00 12.30 H new ATOM 0 HD12 LEU A 156 4.159 -4.595 6.307 1.00 12.30 H new ATOM 0 HD13 LEU A 156 4.406 -4.961 7.828 1.00 12.30 H new ATOM 0 HD21 LEU A 156 5.284 -7.767 7.451 1.00 10.84 H new ATOM 0 HD22 LEU A 156 4.220 -7.379 8.557 1.00 10.84 H new ATOM 0 HD23 LEU A 156 3.872 -8.484 7.477 1.00 10.84 H new ATOM 1219 N GLN A 157 0.913 -6.428 3.939 1.00 12.44 N ATOM 1220 CA GLN A 157 1.157 -6.831 2.557 1.00 9.98 C ATOM 1221 C GLN A 157 1.591 -5.705 1.623 1.00 8.32 C ATOM 1222 O GLN A 157 2.475 -5.903 0.793 1.00 9.24 O ATOM 1223 CB GLN A 157 -0.078 -7.535 1.979 1.00 12.35 C ATOM 1224 CG GLN A 157 0.209 -8.332 0.707 1.00 12.51 C ATOM 1225 CD GLN A 157 1.363 -9.317 0.872 1.00 10.69 C ATOM 1226 OE1 GLN A 157 1.478 -9.992 1.898 1.00 10.59 O ATOM 1227 NE2 GLN A 157 2.218 -9.406 -0.143 1.00 11.41 N ATOM 0 H GLN A 157 0.142 -6.649 4.249 1.00 12.44 H new ATOM 0 HA GLN A 157 1.911 -7.440 2.603 1.00 9.98 H new ATOM 0 HB2 GLN A 157 -0.444 -8.132 2.650 1.00 12.35 H new ATOM 0 HB3 GLN A 157 -0.759 -6.871 1.789 1.00 12.35 H new ATOM 0 HG2 GLN A 157 -0.590 -8.817 0.447 1.00 12.51 H new ATOM 0 HG3 GLN A 157 0.415 -7.718 -0.015 1.00 12.51 H new ATOM 0 HE21 GLN A 157 2.106 -8.919 -0.843 1.00 11.41 H new ATOM 0 HE22 GLN A 157 2.882 -9.950 -0.099 1.00 11.41 H new ATOM 1228 N LYS A 158 0.977 -4.532 1.752 1.00 11.70 N ATOM 1229 CA LYS A 158 1.330 -3.398 0.903 1.00 12.32 C ATOM 1230 C LYS A 158 2.807 -3.036 1.065 1.00 11.59 C ATOM 1231 O LYS A 158 3.447 -2.557 0.128 1.00 7.64 O ATOM 1232 CB LYS A 158 0.455 -2.190 1.246 1.00 17.43 C ATOM 1233 CG LYS A 158 0.680 -0.981 0.347 1.00 27.72 C ATOM 1234 CD LYS A 158 -0.248 0.183 0.704 1.00 29.62 C ATOM 1235 CE LYS A 158 -1.717 -0.178 0.502 1.00 31.58 C ATOM 1236 NZ LYS A 158 -2.630 0.975 0.781 1.00 31.74 N ATOM 0 H LYS A 158 0.355 -4.372 2.324 1.00 11.70 H new ATOM 0 HA LYS A 158 1.176 -3.651 -0.021 1.00 12.32 H new ATOM 0 HB2 LYS A 158 -0.477 -2.452 1.191 1.00 17.43 H new ATOM 0 HB3 LYS A 158 0.623 -1.932 2.166 1.00 17.43 H new ATOM 0 HG2 LYS A 158 1.603 -0.692 0.421 1.00 27.72 H new ATOM 0 HG3 LYS A 158 0.536 -1.236 -0.578 1.00 27.72 H new ATOM 0 HD2 LYS A 158 -0.103 0.440 1.628 1.00 29.62 H new ATOM 0 HD3 LYS A 158 -0.026 0.953 0.157 1.00 29.62 H new ATOM 0 HE2 LYS A 158 -1.851 -0.480 -0.410 1.00 31.58 H new ATOM 0 HE3 LYS A 158 -1.949 -0.919 1.084 1.00 31.58 H new ATOM 0 HZ1 LYS A 158 -3.411 0.840 0.376 1.00 31.74 H new ATOM 0 HZ2 LYS A 158 -2.759 1.046 1.659 1.00 31.74 H new ATOM 0 HZ3 LYS A 158 -2.263 1.726 0.474 1.00 31.74 H new ATOM 1237 N VAL A 159 3.343 -3.258 2.263 1.00 9.64 N ATOM 1238 CA VAL A 159 4.746 -2.970 2.525 1.00 8.29 C ATOM 1239 C VAL A 159 5.590 -4.050 1.861 1.00 7.73 C ATOM 1240 O VAL A 159 6.588 -3.764 1.202 1.00 8.93 O ATOM 1241 CB VAL A 159 5.045 -2.953 4.046 1.00 8.35 C ATOM 1242 CG1 VAL A 159 6.549 -2.877 4.279 1.00 9.74 C ATOM 1243 CG2 VAL A 159 4.351 -1.768 4.698 1.00 9.20 C ATOM 0 H VAL A 159 2.910 -3.575 2.935 1.00 9.64 H new ATOM 0 HA VAL A 159 4.958 -2.093 2.168 1.00 8.29 H new ATOM 0 HB VAL A 159 4.708 -3.770 4.445 1.00 8.35 H new ATOM 0 HG11 VAL A 159 6.729 -2.867 5.232 1.00 9.74 H new ATOM 0 HG12 VAL A 159 6.978 -3.649 3.878 1.00 9.74 H new ATOM 0 HG13 VAL A 159 6.899 -2.067 3.876 1.00 9.74 H new ATOM 0 HG21 VAL A 159 4.542 -1.764 5.649 1.00 9.20 H new ATOM 0 HG22 VAL A 159 4.674 -0.944 4.300 1.00 9.20 H new ATOM 0 HG23 VAL A 159 3.393 -1.839 4.562 1.00 9.20 H new ATOM 1244 N VAL A 160 5.168 -5.297 2.028 1.00 12.17 N ATOM 1245 CA VAL A 160 5.874 -6.438 1.454 1.00 14.08 C ATOM 1246 C VAL A 160 5.964 -6.374 -0.077 1.00 13.73 C ATOM 1247 O VAL A 160 7.013 -6.661 -0.657 1.00 12.51 O ATOM 1248 CB VAL A 160 5.179 -7.768 1.864 1.00 15.12 C ATOM 1249 CG1 VAL A 160 5.825 -8.942 1.155 1.00 17.88 C ATOM 1250 CG2 VAL A 160 5.270 -7.955 3.372 1.00 19.27 C ATOM 0 H VAL A 160 4.465 -5.507 2.477 1.00 12.17 H new ATOM 0 HA VAL A 160 6.777 -6.405 1.807 1.00 14.08 H new ATOM 0 HB VAL A 160 4.245 -7.726 1.604 1.00 15.12 H new ATOM 0 HG11 VAL A 160 5.382 -9.764 1.420 1.00 17.88 H new ATOM 0 HG12 VAL A 160 5.743 -8.826 0.195 1.00 17.88 H new ATOM 0 HG13 VAL A 160 6.764 -8.989 1.396 1.00 17.88 H new ATOM 0 HG21 VAL A 160 4.835 -8.785 3.622 1.00 19.27 H new ATOM 0 HG22 VAL A 160 6.202 -7.985 3.639 1.00 19.27 H new ATOM 0 HG23 VAL A 160 4.831 -7.214 3.817 1.00 19.27 H new ATOM 1251 N ASP A 161 4.870 -5.991 -0.727 1.00 17.88 N ATOM 1252 CA ASP A 161 4.837 -5.924 -2.186 1.00 19.87 C ATOM 1253 C ASP A 161 5.698 -4.844 -2.832 1.00 18.94 C ATOM 1254 O ASP A 161 5.966 -4.909 -4.031 1.00 21.02 O ATOM 1255 CB ASP A 161 3.397 -5.759 -2.687 1.00 22.69 C ATOM 1256 CG ASP A 161 2.571 -7.022 -2.528 1.00 26.00 C ATOM 1257 OD1 ASP A 161 3.093 -8.118 -2.825 1.00 31.51 O ATOM 1258 OD2 ASP A 161 1.396 -6.916 -2.119 1.00 29.02 O ATOM 0 H ASP A 161 4.135 -5.765 -0.342 1.00 17.88 H new ATOM 0 HA ASP A 161 5.224 -6.771 -2.459 1.00 19.87 H new ATOM 0 HB2 ASP A 161 2.971 -5.036 -2.201 1.00 22.69 H new ATOM 0 HB3 ASP A 161 3.412 -5.503 -3.622 1.00 22.69 H new ATOM 1259 N VAL A 162 6.135 -3.855 -2.060 1.00 15.14 N ATOM 1260 CA VAL A 162 6.950 -2.786 -2.631 1.00 14.44 C ATOM 1261 C VAL A 162 8.452 -3.001 -2.419 1.00 12.09 C ATOM 1262 O VAL A 162 9.273 -2.292 -3.003 1.00 12.39 O ATOM 1263 CB VAL A 162 6.542 -1.405 -2.041 1.00 15.16 C ATOM 1264 CG1 VAL A 162 7.095 -1.253 -0.624 1.00 14.80 C ATOM 1265 CG2 VAL A 162 7.035 -0.282 -2.939 1.00 16.43 C ATOM 0 H VAL A 162 5.975 -3.783 -1.218 1.00 15.14 H new ATOM 0 HA VAL A 162 6.782 -2.802 -3.586 1.00 14.44 H new ATOM 0 HB VAL A 162 5.574 -1.355 -1.997 1.00 15.16 H new ATOM 0 HG11 VAL A 162 6.835 -0.390 -0.266 1.00 14.80 H new ATOM 0 HG12 VAL A 162 6.738 -1.957 -0.060 1.00 14.80 H new ATOM 0 HG13 VAL A 162 8.063 -1.316 -0.646 1.00 14.80 H new ATOM 0 HG21 VAL A 162 6.775 0.573 -2.561 1.00 16.43 H new ATOM 0 HG22 VAL A 162 8.002 -0.324 -3.008 1.00 16.43 H new ATOM 0 HG23 VAL A 162 6.644 -0.377 -3.821 1.00 16.43 H new ATOM 1266 N LEU A 163 8.812 -3.988 -1.601 1.00 13.67 N ATOM 1267 CA LEU A 163 10.220 -4.256 -1.311 1.00 10.22 C ATOM 1268 C LEU A 163 11.060 -4.581 -2.545 1.00 14.71 C ATOM 1269 O LEU A 163 12.267 -4.344 -2.554 1.00 13.46 O ATOM 1270 CB LEU A 163 10.349 -5.381 -0.278 1.00 12.65 C ATOM 1271 CG LEU A 163 9.666 -5.138 1.077 1.00 10.98 C ATOM 1272 CD1 LEU A 163 9.992 -6.297 2.010 1.00 12.28 C ATOM 1273 CD2 LEU A 163 10.129 -3.816 1.687 1.00 7.59 C ATOM 0 H LEU A 163 8.258 -4.513 -1.204 1.00 13.67 H new ATOM 0 HA LEU A 163 10.576 -3.429 -0.951 1.00 10.22 H new ATOM 0 HB2 LEU A 163 9.983 -6.192 -0.663 1.00 12.65 H new ATOM 0 HB3 LEU A 163 11.292 -5.543 -0.120 1.00 12.65 H new ATOM 0 HG LEU A 163 8.706 -5.084 0.947 1.00 10.98 H new ATOM 0 HD11 LEU A 163 9.564 -6.152 2.868 1.00 12.28 H new ATOM 0 HD12 LEU A 163 9.667 -7.125 1.623 1.00 12.28 H new ATOM 0 HD13 LEU A 163 10.953 -6.353 2.133 1.00 12.28 H new ATOM 0 HD21 LEU A 163 9.688 -3.681 2.540 1.00 7.59 H new ATOM 0 HD22 LEU A 163 11.089 -3.840 1.821 1.00 7.59 H new ATOM 0 HD23 LEU A 163 9.904 -3.087 1.088 1.00 7.59 H new ATOM 1274 N ASP A 164 10.427 -5.120 -3.585 1.00 16.69 N ATOM 1275 CA ASP A 164 11.144 -5.448 -4.818 1.00 20.05 C ATOM 1276 C ASP A 164 11.707 -4.196 -5.488 1.00 17.76 C ATOM 1277 O ASP A 164 12.710 -4.265 -6.199 1.00 19.53 O ATOM 1278 CB ASP A 164 10.221 -6.160 -5.814 1.00 24.96 C ATOM 1279 CG ASP A 164 9.919 -7.588 -5.417 1.00 30.37 C ATOM 1280 OD1 ASP A 164 10.873 -8.389 -5.320 1.00 36.30 O ATOM 1281 OD2 ASP A 164 8.728 -7.912 -5.208 1.00 36.74 O ATOM 0 H ASP A 164 9.587 -5.303 -3.598 1.00 16.69 H new ATOM 0 HA ASP A 164 11.876 -6.034 -4.569 1.00 20.05 H new ATOM 0 HB2 ASP A 164 9.389 -5.666 -5.887 1.00 24.96 H new ATOM 0 HB3 ASP A 164 10.633 -6.153 -6.692 1.00 24.96 H new ATOM 1282 N SER A 165 11.060 -3.055 -5.265 1.00 14.19 N ATOM 1283 CA SER A 165 11.501 -1.806 -5.881 1.00 14.18 C ATOM 1284 C SER A 165 12.593 -1.059 -5.113 1.00 14.35 C ATOM 1285 O SER A 165 13.122 -0.066 -5.610 1.00 13.30 O ATOM 1286 CB SER A 165 10.306 -0.873 -6.103 1.00 15.47 C ATOM 1287 OG SER A 165 9.826 -0.352 -4.878 1.00 17.17 O ATOM 0 H SER A 165 10.366 -2.982 -4.762 1.00 14.19 H new ATOM 0 HA SER A 165 11.900 -2.069 -6.725 1.00 14.18 H new ATOM 0 HB2 SER A 165 10.567 -0.144 -6.687 1.00 15.47 H new ATOM 0 HB3 SER A 165 9.595 -1.356 -6.552 1.00 15.47 H new ATOM 0 HG SER A 165 9.686 -0.982 -4.341 1.00 17.17 H new ATOM 1288 N ILE A 166 12.926 -1.526 -3.910 1.00 11.05 N ATOM 1289 CA ILE A 166 13.975 -0.895 -3.101 1.00 9.60 C ATOM 1290 C ILE A 166 14.911 -1.968 -2.541 1.00 11.67 C ATOM 1291 O ILE A 166 15.295 -1.932 -1.373 1.00 7.35 O ATOM 1292 CB ILE A 166 13.388 -0.099 -1.911 1.00 9.69 C ATOM 1293 CG1 ILE A 166 12.595 -1.029 -0.995 1.00 11.03 C ATOM 1294 CG2 ILE A 166 12.487 1.021 -2.418 1.00 7.74 C ATOM 1295 CD1 ILE A 166 12.454 -0.502 0.410 1.00 11.12 C ATOM 0 H ILE A 166 12.556 -2.209 -3.541 1.00 11.05 H new ATOM 0 HA ILE A 166 14.454 -0.282 -3.681 1.00 9.60 H new ATOM 0 HB ILE A 166 14.120 0.290 -1.408 1.00 9.69 H new ATOM 0 HG12 ILE A 166 11.712 -1.168 -1.372 1.00 11.03 H new ATOM 0 HG13 ILE A 166 13.031 -1.895 -0.967 1.00 11.03 H new ATOM 0 HG21 ILE A 166 12.125 1.512 -1.664 1.00 7.74 H new ATOM 0 HG22 ILE A 166 13.002 1.623 -2.978 1.00 7.74 H new ATOM 0 HG23 ILE A 166 11.759 0.642 -2.935 1.00 7.74 H new ATOM 0 HD11 ILE A 166 11.944 -1.132 0.942 1.00 11.12 H new ATOM 0 HD12 ILE A 166 13.334 -0.386 0.802 1.00 11.12 H new ATOM 0 HD13 ILE A 166 11.994 0.352 0.391 1.00 11.12 H new ATOM 1296 N LYS A 167 15.289 -2.916 -3.390 1.00 9.80 N ATOM 1297 CA LYS A 167 16.144 -4.018 -2.968 1.00 11.15 C ATOM 1298 C LYS A 167 17.488 -3.628 -2.375 1.00 10.31 C ATOM 1299 O LYS A 167 17.929 -4.228 -1.397 1.00 8.74 O ATOM 1300 CB LYS A 167 16.393 -4.970 -4.141 1.00 14.35 C ATOM 1301 CG LYS A 167 17.191 -6.207 -3.758 1.00 18.08 C ATOM 1302 CD LYS A 167 17.453 -7.107 -4.958 1.00 22.76 C ATOM 1303 CE LYS A 167 18.196 -8.368 -4.543 1.00 25.52 C ATOM 1304 NZ LYS A 167 18.428 -9.291 -5.688 1.00 30.05 N ATOM 0 H LYS A 167 15.060 -2.939 -4.219 1.00 9.80 H new ATOM 0 HA LYS A 167 15.647 -4.440 -2.250 1.00 11.15 H new ATOM 0 HB2 LYS A 167 15.540 -5.246 -4.511 1.00 14.35 H new ATOM 0 HB3 LYS A 167 16.865 -4.493 -4.841 1.00 14.35 H new ATOM 0 HG2 LYS A 167 18.036 -5.938 -3.365 1.00 18.08 H new ATOM 0 HG3 LYS A 167 16.709 -6.705 -3.079 1.00 18.08 H new ATOM 0 HD2 LYS A 167 16.611 -7.347 -5.377 1.00 22.76 H new ATOM 0 HD3 LYS A 167 17.972 -6.625 -5.621 1.00 22.76 H new ATOM 0 HE2 LYS A 167 19.048 -8.124 -4.150 1.00 25.52 H new ATOM 0 HE3 LYS A 167 17.688 -8.829 -3.857 1.00 25.52 H new ATOM 0 HZ1 LYS A 167 18.864 -10.013 -5.404 1.00 30.05 H new ATOM 0 HZ2 LYS A 167 17.646 -9.535 -6.036 1.00 30.05 H new ATOM 0 HZ3 LYS A 167 18.913 -8.878 -6.309 1.00 30.05 H new ATOM 1305 N THR A 168 18.134 -2.628 -2.964 1.00 7.25 N ATOM 1306 CA THR A 168 19.454 -2.210 -2.513 1.00 8.14 C ATOM 1307 C THR A 168 19.553 -0.857 -1.808 1.00 10.88 C ATOM 1308 O THR A 168 18.678 0.006 -1.931 1.00 8.71 O ATOM 1309 CB THR A 168 20.439 -2.222 -3.698 1.00 8.28 C ATOM 1310 OG1 THR A 168 19.876 -1.486 -4.788 1.00 8.48 O ATOM 1311 CG2 THR A 168 20.705 -3.655 -4.158 1.00 10.71 C ATOM 0 H THR A 168 17.824 -2.178 -3.628 1.00 7.25 H new ATOM 0 HA THR A 168 19.678 -2.862 -1.831 1.00 8.14 H new ATOM 0 HB THR A 168 21.273 -1.818 -3.412 1.00 8.28 H new ATOM 0 HG1 THR A 168 19.693 -2.012 -5.417 1.00 8.48 H new ATOM 0 HG21 THR A 168 21.326 -3.646 -4.903 1.00 10.71 H new ATOM 0 HG22 THR A 168 21.087 -4.164 -3.426 1.00 10.71 H new ATOM 0 HG23 THR A 168 19.872 -4.065 -4.437 1.00 10.71 H new ATOM 1312 N LYS A 169 20.652 -0.691 -1.076 1.00 9.61 N ATOM 1313 CA LYS A 169 20.941 0.523 -0.319 1.00 10.52 C ATOM 1314 C LYS A 169 20.842 1.772 -1.178 1.00 13.58 C ATOM 1315 O LYS A 169 21.411 1.830 -2.269 1.00 13.53 O ATOM 1316 CB LYS A 169 22.344 0.430 0.289 1.00 12.47 C ATOM 1317 CG LYS A 169 22.780 1.652 1.095 1.00 10.53 C ATOM 1318 CD LYS A 169 24.125 1.408 1.769 1.00 17.69 C ATOM 1319 CE LYS A 169 25.208 1.113 0.742 1.00 18.92 C ATOM 1320 NZ LYS A 169 26.544 0.893 1.365 1.00 25.22 N ATOM 0 H LYS A 169 21.262 -1.293 -1.005 1.00 9.61 H new ATOM 0 HA LYS A 169 20.275 0.595 0.382 1.00 10.52 H new ATOM 0 HB2 LYS A 169 22.382 -0.350 0.864 1.00 12.47 H new ATOM 0 HB3 LYS A 169 22.983 0.286 -0.426 1.00 12.47 H new ATOM 0 HG2 LYS A 169 22.842 2.424 0.511 1.00 10.53 H new ATOM 0 HG3 LYS A 169 22.110 1.857 1.766 1.00 10.53 H new ATOM 0 HD2 LYS A 169 24.374 2.187 2.291 1.00 17.69 H new ATOM 0 HD3 LYS A 169 24.050 0.664 2.387 1.00 17.69 H new ATOM 0 HE2 LYS A 169 24.959 0.326 0.232 1.00 18.92 H new ATOM 0 HE3 LYS A 169 25.265 1.851 0.116 1.00 18.92 H new ATOM 0 HZ1 LYS A 169 27.144 0.725 0.730 1.00 25.22 H new ATOM 0 HZ2 LYS A 169 26.786 1.622 1.815 1.00 25.22 H new ATOM 0 HZ3 LYS A 169 26.501 0.201 1.923 1.00 25.22 H new ATOM 1321 N GLY A 170 20.116 2.768 -0.675 1.00 11.32 N ATOM 1322 CA GLY A 170 19.959 4.015 -1.398 1.00 10.82 C ATOM 1323 C GLY A 170 18.682 4.125 -2.207 1.00 11.31 C ATOM 1324 O GLY A 170 18.267 5.228 -2.555 1.00 11.34 O ATOM 0 H GLY A 170 19.709 2.737 0.082 1.00 11.32 H new ATOM 0 HA2 GLY A 170 19.989 4.748 -0.763 1.00 10.82 H new ATOM 0 HA3 GLY A 170 20.716 4.125 -1.995 1.00 10.82 H new ATOM 1325 N LYS A 171 18.055 2.990 -2.507 1.00 8.77 N ATOM 1326 CA LYS A 171 16.821 2.981 -3.291 1.00 11.77 C ATOM 1327 C LYS A 171 15.609 3.411 -2.473 1.00 11.43 C ATOM 1328 O LYS A 171 15.489 3.074 -1.295 1.00 8.50 O ATOM 1329 CB LYS A 171 16.560 1.581 -3.863 1.00 11.60 C ATOM 1330 CG LYS A 171 17.584 1.093 -4.878 1.00 18.73 C ATOM 1331 CD LYS A 171 17.565 1.927 -6.146 1.00 22.72 C ATOM 1332 CE LYS A 171 18.370 1.261 -7.256 1.00 25.68 C ATOM 1333 NZ LYS A 171 17.824 -0.084 -7.592 1.00 27.86 N ATOM 0 H LYS A 171 18.329 2.211 -2.265 1.00 8.77 H new ATOM 0 HA LYS A 171 16.945 3.621 -4.009 1.00 11.77 H new ATOM 0 HB2 LYS A 171 16.527 0.948 -3.128 1.00 11.60 H new ATOM 0 HB3 LYS A 171 15.685 1.576 -4.281 1.00 11.60 H new ATOM 0 HG2 LYS A 171 18.470 1.124 -4.484 1.00 18.73 H new ATOM 0 HG3 LYS A 171 17.404 0.166 -5.098 1.00 18.73 H new ATOM 0 HD2 LYS A 171 16.649 2.054 -6.439 1.00 22.72 H new ATOM 0 HD3 LYS A 171 17.929 2.807 -5.963 1.00 22.72 H new ATOM 0 HE2 LYS A 171 18.360 1.823 -8.047 1.00 25.68 H new ATOM 0 HE3 LYS A 171 19.296 1.176 -6.980 1.00 25.68 H new ATOM 0 HZ1 LYS A 171 17.767 -0.169 -8.476 1.00 27.86 H new ATOM 0 HZ2 LYS A 171 18.364 -0.713 -7.268 1.00 27.86 H new ATOM 0 HZ3 LYS A 171 17.015 -0.174 -7.233 1.00 27.86 H new ATOM 1334 N SER A 172 14.707 4.155 -3.108 1.00 11.34 N ATOM 1335 CA SER A 172 13.486 4.610 -2.452 1.00 9.20 C ATOM 1336 C SER A 172 12.345 4.569 -3.458 1.00 13.69 C ATOM 1337 O SER A 172 12.572 4.554 -4.673 1.00 13.82 O ATOM 1338 CB SER A 172 13.649 6.036 -1.916 1.00 10.07 C ATOM 1339 OG SER A 172 13.733 6.980 -2.966 1.00 12.43 O ATOM 0 H SER A 172 14.785 4.409 -3.926 1.00 11.34 H new ATOM 0 HA SER A 172 13.295 4.026 -1.701 1.00 9.20 H new ATOM 0 HB2 SER A 172 12.898 6.255 -1.342 1.00 10.07 H new ATOM 0 HB3 SER A 172 14.448 6.087 -1.369 1.00 10.07 H new ATOM 0 HG SER A 172 13.820 7.751 -2.644 1.00 12.43 H new ATOM 1340 N ALA A 173 11.118 4.544 -2.954 1.00 9.58 N ATOM 1341 CA ALA A 173 9.946 4.506 -3.817 1.00 12.44 C ATOM 1342 C ALA A 173 8.786 5.244 -3.176 1.00 11.43 C ATOM 1343 O ALA A 173 8.679 5.307 -1.954 1.00 8.76 O ATOM 1344 CB ALA A 173 9.547 3.065 -4.093 1.00 12.45 C ATOM 0 H ALA A 173 10.942 4.548 -2.112 1.00 9.58 H new ATOM 0 HA ALA A 173 10.169 4.943 -4.654 1.00 12.44 H new ATOM 0 HB1 ALA A 173 8.766 3.050 -4.668 1.00 12.45 H new ATOM 0 HB2 ALA A 173 10.280 2.604 -4.531 1.00 12.45 H new ATOM 0 HB3 ALA A 173 9.340 2.620 -3.256 1.00 12.45 H new ATOM 1345 N ASP A 174 7.911 5.807 -4.001 1.00 11.50 N ATOM 1346 CA ASP A 174 6.753 6.513 -3.465 1.00 15.27 C ATOM 1347 C ASP A 174 5.942 5.506 -2.655 1.00 11.33 C ATOM 1348 O ASP A 174 5.798 4.349 -3.053 1.00 11.86 O ATOM 1349 CB ASP A 174 5.900 7.091 -4.599 1.00 16.82 C ATOM 1350 CG ASP A 174 6.652 8.122 -5.430 1.00 25.41 C ATOM 1351 OD1 ASP A 174 7.271 9.035 -4.839 1.00 28.17 O ATOM 1352 OD2 ASP A 174 6.618 8.027 -6.677 1.00 29.56 O ATOM 0 H ASP A 174 7.966 5.793 -4.859 1.00 11.50 H new ATOM 0 HA ASP A 174 7.037 7.254 -2.908 1.00 15.27 H new ATOM 0 HB2 ASP A 174 5.603 6.370 -5.176 1.00 16.82 H new ATOM 0 HB3 ASP A 174 5.104 7.500 -4.224 1.00 16.82 H new ATOM 1353 N PHE A 175 5.433 5.936 -1.506 1.00 10.41 N ATOM 1354 CA PHE A 175 4.648 5.045 -0.663 1.00 10.81 C ATOM 1355 C PHE A 175 3.586 5.841 0.078 1.00 11.81 C ATOM 1356 O PHE A 175 3.587 5.925 1.308 1.00 17.68 O ATOM 1357 CB PHE A 175 5.553 4.318 0.335 1.00 8.49 C ATOM 1358 CG PHE A 175 4.942 3.065 0.900 1.00 9.34 C ATOM 1359 CD1 PHE A 175 4.698 1.968 0.078 1.00 10.94 C ATOM 1360 CD2 PHE A 175 4.585 2.990 2.243 1.00 10.73 C ATOM 1361 CE1 PHE A 175 4.105 0.813 0.588 1.00 13.05 C ATOM 1362 CE2 PHE A 175 3.991 1.840 2.764 1.00 9.52 C ATOM 1363 CZ PHE A 175 3.751 0.751 1.934 1.00 11.56 C ATOM 0 H PHE A 175 5.530 6.733 -1.199 1.00 10.41 H new ATOM 0 HA PHE A 175 4.216 4.383 -1.225 1.00 10.81 H new ATOM 0 HB2 PHE A 175 6.389 4.092 -0.103 1.00 8.49 H new ATOM 0 HB3 PHE A 175 5.768 4.921 1.064 1.00 8.49 H new ATOM 0 HD1 PHE A 175 4.933 2.006 -0.821 1.00 10.94 H new ATOM 0 HD2 PHE A 175 4.745 3.717 2.801 1.00 10.73 H new ATOM 0 HE1 PHE A 175 3.946 0.086 0.031 1.00 13.05 H new ATOM 0 HE2 PHE A 175 3.757 1.802 3.663 1.00 9.52 H new ATOM 0 HZ PHE A 175 3.355 -0.018 2.277 1.00 11.56 H new ATOM 1364 N THR A 176 2.673 6.419 -0.691 1.00 9.68 N ATOM 1365 CA THR A 176 1.597 7.229 -0.142 1.00 9.97 C ATOM 1366 C THR A 176 0.350 6.422 0.208 1.00 7.34 C ATOM 1367 O THR A 176 0.157 5.299 -0.266 1.00 10.58 O ATOM 1368 CB THR A 176 1.197 8.327 -1.144 1.00 12.56 C ATOM 1369 OG1 THR A 176 0.996 7.732 -2.429 1.00 12.19 O ATOM 1370 CG2 THR A 176 2.285 9.385 -1.252 1.00 13.69 C ATOM 0 H THR A 176 2.660 6.352 -1.548 1.00 9.68 H new ATOM 0 HA THR A 176 1.944 7.612 0.679 1.00 9.97 H new ATOM 0 HB THR A 176 0.382 8.751 -0.833 1.00 12.56 H new ATOM 0 HG1 THR A 176 0.776 8.325 -2.981 1.00 12.19 H new ATOM 0 HG21 THR A 176 2.013 10.066 -1.887 1.00 13.69 H new ATOM 0 HG22 THR A 176 2.428 9.793 -0.383 1.00 13.69 H new ATOM 0 HG23 THR A 176 3.109 8.972 -1.554 1.00 13.69 H new ATOM 1371 N ASN A 177 -0.487 7.016 1.052 1.00 7.01 N ATOM 1372 CA ASN A 177 -1.749 6.433 1.484 1.00 10.52 C ATOM 1373 C ASN A 177 -1.674 5.087 2.209 1.00 10.12 C ATOM 1374 O ASN A 177 -2.553 4.237 2.051 1.00 10.98 O ATOM 1375 CB ASN A 177 -2.702 6.344 0.287 1.00 12.46 C ATOM 1376 CG ASN A 177 -2.890 7.689 -0.407 1.00 13.46 C ATOM 1377 OD1 ASN A 177 -2.409 7.901 -1.520 1.00 14.11 O ATOM 1378 ND2 ASN A 177 -3.578 8.608 0.261 1.00 11.57 N ATOM 0 H ASN A 177 -0.332 7.788 1.397 1.00 7.01 H new ATOM 0 HA ASN A 177 -2.081 7.039 2.165 1.00 10.52 H new ATOM 0 HB2 ASN A 177 -2.357 5.699 -0.350 1.00 12.46 H new ATOM 0 HB3 ASN A 177 -3.564 6.014 0.586 1.00 12.46 H new ATOM 0 HD21 ASN A 177 -3.702 9.387 -0.083 1.00 11.57 H new ATOM 0 HD22 ASN A 177 -3.900 8.424 1.037 1.00 11.57 H new ATOM 1379 N PHE A 178 -0.626 4.893 3.003 1.00 10.21 N ATOM 1380 CA PHE A 178 -0.493 3.660 3.777 1.00 8.26 C ATOM 1381 C PHE A 178 -0.987 3.950 5.192 1.00 7.13 C ATOM 1382 O PHE A 178 -0.606 4.955 5.794 1.00 10.30 O ATOM 1383 CB PHE A 178 0.957 3.187 3.853 1.00 10.53 C ATOM 1384 CG PHE A 178 1.134 1.957 4.703 1.00 7.90 C ATOM 1385 CD1 PHE A 178 0.739 0.709 4.233 1.00 7.29 C ATOM 1386 CD2 PHE A 178 1.643 2.056 5.992 1.00 6.08 C ATOM 1387 CE1 PHE A 178 0.847 -0.427 5.036 1.00 12.50 C ATOM 1388 CE2 PHE A 178 1.754 0.928 6.805 1.00 8.32 C ATOM 1389 CZ PHE A 178 1.355 -0.317 6.326 1.00 10.30 C ATOM 0 H PHE A 178 0.015 5.457 3.108 1.00 10.21 H new ATOM 0 HA PHE A 178 -1.009 2.961 3.345 1.00 8.26 H new ATOM 0 HB2 PHE A 178 1.279 3.003 2.957 1.00 10.53 H new ATOM 0 HB3 PHE A 178 1.506 3.902 4.210 1.00 10.53 H new ATOM 0 HD1 PHE A 178 0.398 0.631 3.371 1.00 7.29 H new ATOM 0 HD2 PHE A 178 1.913 2.885 6.317 1.00 6.08 H new ATOM 0 HE1 PHE A 178 0.580 -1.256 4.709 1.00 12.50 H new ATOM 0 HE2 PHE A 178 2.094 1.007 7.667 1.00 8.32 H new ATOM 0 HZ PHE A 178 1.428 -1.071 6.866 1.00 10.30 H new ATOM 1390 N ASP A 179 -1.821 3.063 5.723 1.00 8.57 N ATOM 1391 CA ASP A 179 -2.388 3.238 7.057 1.00 9.69 C ATOM 1392 C ASP A 179 -1.656 2.393 8.100 1.00 10.24 C ATOM 1393 O ASP A 179 -1.820 1.171 8.154 1.00 9.66 O ATOM 1394 CB ASP A 179 -3.876 2.868 7.017 1.00 12.71 C ATOM 1395 CG ASP A 179 -4.569 3.062 8.352 1.00 15.36 C ATOM 1396 OD1 ASP A 179 -3.947 3.608 9.288 1.00 11.00 O ATOM 1397 OD2 ASP A 179 -5.749 2.667 8.460 1.00 19.47 O ATOM 0 H ASP A 179 -2.074 2.345 5.323 1.00 8.57 H new ATOM 0 HA ASP A 179 -2.283 4.166 7.319 1.00 9.69 H new ATOM 0 HB2 ASP A 179 -4.321 3.408 6.345 1.00 12.71 H new ATOM 0 HB3 ASP A 179 -3.967 1.942 6.742 1.00 12.71 H new ATOM 1398 N PRO A 180 -0.839 3.036 8.953 1.00 8.91 N ATOM 1399 CA PRO A 180 -0.103 2.285 9.973 1.00 9.81 C ATOM 1400 C PRO A 180 -0.973 1.618 11.041 1.00 9.11 C ATOM 1401 O PRO A 180 -0.505 0.741 11.764 1.00 9.18 O ATOM 1402 CB PRO A 180 0.851 3.331 10.548 1.00 11.31 C ATOM 1403 CG PRO A 180 0.079 4.602 10.413 1.00 11.26 C ATOM 1404 CD PRO A 180 -0.517 4.472 9.022 1.00 11.85 C ATOM 0 HA PRO A 180 0.348 1.516 9.591 1.00 9.81 H new ATOM 0 HB2 PRO A 180 1.074 3.143 11.473 1.00 11.31 H new ATOM 0 HB3 PRO A 180 1.686 3.364 10.056 1.00 11.31 H new ATOM 0 HG2 PRO A 180 -0.607 4.683 11.094 1.00 11.26 H new ATOM 0 HG3 PRO A 180 0.650 5.382 10.491 1.00 11.26 H new ATOM 0 HD2 PRO A 180 -1.306 5.026 8.913 1.00 11.85 H new ATOM 0 HD3 PRO A 180 0.112 4.736 8.332 1.00 11.85 H new ATOM 1405 N ARG A 181 -2.233 2.029 11.140 1.00 11.33 N ATOM 1406 CA ARG A 181 -3.141 1.433 12.122 1.00 8.96 C ATOM 1407 C ARG A 181 -3.341 -0.053 11.825 1.00 9.66 C ATOM 1408 O ARG A 181 -3.762 -0.821 12.691 1.00 11.01 O ATOM 1409 CB ARG A 181 -4.495 2.154 12.104 1.00 8.63 C ATOM 1410 CG ARG A 181 -4.480 3.504 12.802 1.00 11.67 C ATOM 1411 CD ARG A 181 -5.781 4.251 12.592 1.00 12.34 C ATOM 1412 NE ARG A 181 -5.999 4.539 11.178 1.00 16.74 N ATOM 1413 CZ ARG A 181 -7.007 5.267 10.707 1.00 24.65 C ATOM 1414 NH1 ARG A 181 -7.901 5.786 11.538 1.00 20.84 N ATOM 1415 NH2 ARG A 181 -7.118 5.481 9.401 1.00 22.89 N ATOM 0 H ARG A 181 -2.582 2.646 10.654 1.00 11.33 H new ATOM 0 HA ARG A 181 -2.746 1.529 13.003 1.00 8.96 H new ATOM 0 HB2 ARG A 181 -4.774 2.278 11.183 1.00 8.63 H new ATOM 0 HB3 ARG A 181 -5.159 1.588 12.527 1.00 8.63 H new ATOM 0 HG2 ARG A 181 -4.328 3.377 13.752 1.00 11.67 H new ATOM 0 HG3 ARG A 181 -3.742 4.036 12.465 1.00 11.67 H new ATOM 0 HD2 ARG A 181 -6.519 3.724 12.935 1.00 12.34 H new ATOM 0 HD3 ARG A 181 -5.766 5.080 13.095 1.00 12.34 H new ATOM 0 HE ARG A 181 -5.438 4.216 10.612 1.00 16.74 H new ATOM 0 HH11 ARG A 181 -7.830 5.652 12.385 1.00 20.84 H new ATOM 0 HH12 ARG A 181 -8.552 6.256 11.230 1.00 20.84 H new ATOM 0 HH21 ARG A 181 -6.538 5.149 8.860 1.00 22.89 H new ATOM 0 HH22 ARG A 181 -7.770 5.952 9.096 1.00 22.89 H new ATOM 1416 N GLY A 182 -3.024 -0.449 10.596 1.00 10.69 N ATOM 1417 CA GLY A 182 -3.175 -1.838 10.197 1.00 11.80 C ATOM 1418 C GLY A 182 -2.080 -2.754 10.715 1.00 10.56 C ATOM 1419 O GLY A 182 -2.140 -3.965 10.519 1.00 10.13 O ATOM 0 H GLY A 182 -2.721 0.071 9.982 1.00 10.69 H new ATOM 0 HA2 GLY A 182 -4.032 -2.164 10.513 1.00 11.80 H new ATOM 0 HA3 GLY A 182 -3.192 -1.886 9.228 1.00 11.80 H new ATOM 1420 N LEU A 183 -1.087 -2.181 11.388 1.00 6.32 N ATOM 1421 CA LEU A 183 0.027 -2.955 11.927 1.00 6.38 C ATOM 1422 C LEU A 183 -0.068 -3.161 13.444 1.00 9.26 C ATOM 1423 O LEU A 183 0.797 -3.803 14.043 1.00 9.03 O ATOM 1424 CB LEU A 183 1.346 -2.247 11.598 1.00 7.08 C ATOM 1425 CG LEU A 183 1.639 -1.986 10.115 1.00 9.45 C ATOM 1426 CD1 LEU A 183 2.869 -1.106 9.982 1.00 13.85 C ATOM 1427 CD2 LEU A 183 1.842 -3.304 9.395 1.00 12.61 C ATOM 0 H LEU A 183 -1.040 -1.337 11.545 1.00 6.32 H new ATOM 0 HA LEU A 183 -0.009 -3.832 11.513 1.00 6.38 H new ATOM 0 HB2 LEU A 183 1.356 -1.396 12.063 1.00 7.08 H new ATOM 0 HB3 LEU A 183 2.073 -2.777 11.961 1.00 7.08 H new ATOM 0 HG LEU A 183 0.886 -1.526 9.711 1.00 9.45 H new ATOM 0 HD11 LEU A 183 3.051 -0.943 9.043 1.00 13.85 H new ATOM 0 HD12 LEU A 183 2.713 -0.261 10.432 1.00 13.85 H new ATOM 0 HD13 LEU A 183 3.631 -1.551 10.386 1.00 13.85 H new ATOM 0 HD21 LEU A 183 2.027 -3.136 8.458 1.00 12.61 H new ATOM 0 HD22 LEU A 183 2.590 -3.778 9.792 1.00 12.61 H new ATOM 0 HD23 LEU A 183 1.039 -3.843 9.474 1.00 12.61 H new ATOM 1428 N LEU A 184 -1.113 -2.621 14.061 1.00 11.48 N ATOM 1429 CA LEU A 184 -1.282 -2.729 15.511 1.00 10.09 C ATOM 1430 C LEU A 184 -2.062 -3.961 15.971 1.00 12.45 C ATOM 1431 O LEU A 184 -2.940 -4.453 15.262 1.00 14.68 O ATOM 1432 CB LEU A 184 -1.999 -1.481 16.041 1.00 13.35 C ATOM 1433 CG LEU A 184 -1.475 -0.106 15.614 1.00 13.60 C ATOM 1434 CD1 LEU A 184 -2.390 0.973 16.164 1.00 15.31 C ATOM 1435 CD2 LEU A 184 -0.052 0.094 16.104 1.00 11.62 C ATOM 0 H LEU A 184 -1.738 -2.187 13.660 1.00 11.48 H new ATOM 0 HA LEU A 184 -0.385 -2.814 15.869 1.00 10.09 H new ATOM 0 HB2 LEU A 184 -2.930 -1.539 15.774 1.00 13.35 H new ATOM 0 HB3 LEU A 184 -1.979 -1.517 17.010 1.00 13.35 H new ATOM 0 HG LEU A 184 -1.467 -0.051 14.646 1.00 13.60 H new ATOM 0 HD11 LEU A 184 -2.061 1.845 15.895 1.00 15.31 H new ATOM 0 HD12 LEU A 184 -3.287 0.845 15.817 1.00 15.31 H new ATOM 0 HD13 LEU A 184 -2.408 0.919 17.132 1.00 15.31 H new ATOM 0 HD21 LEU A 184 0.266 0.967 15.827 1.00 11.62 H new ATOM 0 HD22 LEU A 184 -0.032 0.035 17.072 1.00 11.62 H new ATOM 0 HD23 LEU A 184 0.520 -0.593 15.727 1.00 11.62 H new ATOM 1436 N PRO A 185 -1.738 -4.486 17.166 1.00 7.24 N ATOM 1437 CA PRO A 185 -2.461 -5.658 17.674 1.00 7.89 C ATOM 1438 C PRO A 185 -3.750 -5.142 18.325 1.00 9.95 C ATOM 1439 O PRO A 185 -3.978 -3.933 18.360 1.00 10.54 O ATOM 1440 CB PRO A 185 -1.483 -6.253 18.686 1.00 5.34 C ATOM 1441 CG PRO A 185 -0.811 -5.030 19.247 1.00 5.39 C ATOM 1442 CD PRO A 185 -0.551 -4.196 17.993 1.00 6.76 C ATOM 0 HA PRO A 185 -2.721 -6.321 17.015 1.00 7.89 H new ATOM 0 HB2 PRO A 185 -1.940 -6.762 19.374 1.00 5.34 H new ATOM 0 HB3 PRO A 185 -0.848 -6.853 18.265 1.00 5.34 H new ATOM 0 HG2 PRO A 185 -1.379 -4.564 19.880 1.00 5.39 H new ATOM 0 HG3 PRO A 185 0.011 -5.250 19.712 1.00 5.39 H new ATOM 0 HD2 PRO A 185 -0.475 -3.251 18.197 1.00 6.76 H new ATOM 0 HD3 PRO A 185 0.271 -4.457 17.549 1.00 6.76 H new ATOM 1443 N GLU A 186 -4.589 -6.038 18.840 1.00 8.40 N ATOM 1444 CA GLU A 186 -5.840 -5.621 19.473 1.00 10.08 C ATOM 1445 C GLU A 186 -5.642 -4.835 20.765 1.00 11.89 C ATOM 1446 O GLU A 186 -6.269 -3.790 20.978 1.00 10.13 O ATOM 1447 CB GLU A 186 -6.711 -6.836 19.794 1.00 14.16 C ATOM 1448 CG GLU A 186 -7.283 -7.553 18.590 1.00 19.92 C ATOM 1449 CD GLU A 186 -8.179 -8.708 18.990 1.00 23.00 C ATOM 1450 OE1 GLU A 186 -8.794 -9.325 18.095 1.00 27.12 O ATOM 1451 OE2 GLU A 186 -8.267 -8.997 20.204 1.00 20.68 O ATOM 0 H GLU A 186 -4.455 -6.887 18.834 1.00 8.40 H new ATOM 0 HA GLU A 186 -6.269 -5.038 18.828 1.00 10.08 H new ATOM 0 HB2 GLU A 186 -6.184 -7.467 20.309 1.00 14.16 H new ATOM 0 HB3 GLU A 186 -7.444 -6.550 20.361 1.00 14.16 H new ATOM 0 HG2 GLU A 186 -7.788 -6.925 18.050 1.00 19.92 H new ATOM 0 HG3 GLU A 186 -6.558 -7.884 18.037 1.00 19.92 H new ATOM 1452 N SER A 187 -4.777 -5.359 21.627 1.00 12.65 N ATOM 1453 CA SER A 187 -4.494 -4.762 22.926 1.00 11.16 C ATOM 1454 C SER A 187 -3.329 -3.781 22.908 1.00 9.95 C ATOM 1455 O SER A 187 -2.352 -3.968 22.185 1.00 10.55 O ATOM 1456 CB SER A 187 -4.199 -5.870 23.946 1.00 12.46 C ATOM 1457 OG SER A 187 -3.839 -5.338 25.209 1.00 11.91 O ATOM 0 H SER A 187 -4.333 -6.079 21.472 1.00 12.65 H new ATOM 0 HA SER A 187 -5.284 -4.257 23.173 1.00 11.16 H new ATOM 0 HB2 SER A 187 -4.980 -6.436 24.044 1.00 12.46 H new ATOM 0 HB3 SER A 187 -3.481 -6.432 23.615 1.00 12.46 H new ATOM 0 HG SER A 187 -3.686 -5.967 25.745 1.00 11.91 H new ATOM 1458 N LEU A 188 -3.443 -2.736 23.720 1.00 9.02 N ATOM 1459 CA LEU A 188 -2.391 -1.739 23.827 1.00 8.55 C ATOM 1460 C LEU A 188 -1.622 -1.869 25.146 1.00 10.50 C ATOM 1461 O LEU A 188 -0.911 -0.939 25.534 1.00 10.59 O ATOM 1462 CB LEU A 188 -2.975 -0.325 23.699 1.00 12.37 C ATOM 1463 CG LEU A 188 -3.473 0.096 22.312 1.00 12.75 C ATOM 1464 CD1 LEU A 188 -3.974 1.537 22.367 1.00 14.99 C ATOM 1465 CD2 LEU A 188 -2.344 -0.029 21.300 1.00 16.20 C ATOM 0 H LEU A 188 -4.127 -2.587 24.220 1.00 9.02 H new ATOM 0 HA LEU A 188 -1.768 -1.894 23.100 1.00 8.55 H new ATOM 0 HB2 LEU A 188 -3.714 -0.246 24.322 1.00 12.37 H new ATOM 0 HB3 LEU A 188 -2.297 0.309 23.982 1.00 12.37 H new ATOM 0 HG LEU A 188 -4.202 -0.483 22.040 1.00 12.75 H new ATOM 0 HD11 LEU A 188 -4.289 1.804 21.489 1.00 14.99 H new ATOM 0 HD12 LEU A 188 -4.701 1.603 23.005 1.00 14.99 H new ATOM 0 HD13 LEU A 188 -3.250 2.121 22.641 1.00 14.99 H new ATOM 0 HD21 LEU A 188 -2.663 0.238 20.424 1.00 16.20 H new ATOM 0 HD22 LEU A 188 -1.608 0.544 21.564 1.00 16.20 H new ATOM 0 HD23 LEU A 188 -2.040 -0.950 21.266 1.00 16.20 H new ATOM 1466 N ASP A 189 -1.773 -3.005 25.835 1.00 9.05 N ATOM 1467 CA ASP A 189 -1.052 -3.241 27.094 1.00 10.27 C ATOM 1468 C ASP A 189 0.434 -3.141 26.746 1.00 9.12 C ATOM 1469 O ASP A 189 0.858 -3.602 25.682 1.00 8.62 O ATOM 1470 CB ASP A 189 -1.353 -4.632 27.676 1.00 10.55 C ATOM 1471 CG ASP A 189 -2.728 -4.719 28.331 1.00 14.67 C ATOM 1472 OD1 ASP A 189 -3.262 -3.675 28.758 1.00 15.34 O ATOM 1473 OD2 ASP A 189 -3.266 -5.843 28.444 1.00 16.86 O ATOM 0 H ASP A 189 -2.287 -3.651 25.592 1.00 9.05 H new ATOM 0 HA ASP A 189 -1.323 -2.595 27.765 1.00 10.27 H new ATOM 0 HB2 ASP A 189 -1.295 -5.293 26.968 1.00 10.55 H new ATOM 0 HB3 ASP A 189 -0.674 -4.857 28.331 1.00 10.55 H new ATOM 1474 N TYR A 190 1.227 -2.558 27.638 1.00 7.28 N ATOM 1475 CA TYR A 190 2.642 -2.365 27.338 1.00 5.50 C ATOM 1476 C TYR A 190 3.573 -2.329 28.542 1.00 6.94 C ATOM 1477 O TYR A 190 3.132 -2.343 29.690 1.00 4.95 O ATOM 1478 CB TYR A 190 2.797 -1.042 26.576 1.00 6.01 C ATOM 1479 CG TYR A 190 2.407 0.173 27.409 1.00 9.15 C ATOM 1480 CD1 TYR A 190 3.293 0.716 28.345 1.00 9.22 C ATOM 1481 CD2 TYR A 190 1.143 0.753 27.292 1.00 8.57 C ATOM 1482 CE1 TYR A 190 2.933 1.797 29.143 1.00 10.04 C ATOM 1483 CE2 TYR A 190 0.771 1.847 28.093 1.00 7.37 C ATOM 1484 CZ TYR A 190 1.672 2.357 29.014 1.00 8.14 C ATOM 1485 OH TYR A 190 1.319 3.413 29.819 1.00 9.03 O ATOM 0 H TYR A 190 0.973 -2.272 28.408 1.00 7.28 H new ATOM 0 HA TYR A 190 2.907 -3.142 26.822 1.00 5.50 H new ATOM 0 HB2 TYR A 190 3.718 -0.947 26.286 1.00 6.01 H new ATOM 0 HB3 TYR A 190 2.249 -1.069 25.776 1.00 6.01 H new ATOM 0 HD1 TYR A 190 4.141 0.346 28.436 1.00 9.22 H new ATOM 0 HD2 TYR A 190 0.537 0.411 26.675 1.00 8.57 H new ATOM 0 HE1 TYR A 190 3.536 2.143 29.761 1.00 10.04 H new ATOM 0 HE2 TYR A 190 -0.074 2.226 28.005 1.00 7.37 H new ATOM 0 HH TYR A 190 0.503 3.359 30.010 1.00 9.03 H new ATOM 1486 N TRP A 191 4.871 -2.280 28.241 1.00 4.95 N ATOM 1487 CA TRP A 191 5.935 -2.151 29.234 1.00 5.52 C ATOM 1488 C TRP A 191 6.662 -0.886 28.795 1.00 5.06 C ATOM 1489 O TRP A 191 6.734 -0.598 27.599 1.00 4.95 O ATOM 1490 CB TRP A 191 6.929 -3.311 29.166 1.00 4.95 C ATOM 1491 CG TRP A 191 6.412 -4.619 29.643 1.00 4.96 C ATOM 1492 CD1 TRP A 191 6.150 -4.984 30.935 1.00 4.95 C ATOM 1493 CD2 TRP A 191 6.112 -5.755 28.833 1.00 6.05 C ATOM 1494 NE1 TRP A 191 5.703 -6.285 30.976 1.00 7.37 N ATOM 1495 CE2 TRP A 191 5.671 -6.781 29.698 1.00 7.70 C ATOM 1496 CE3 TRP A 191 6.175 -6.008 27.456 1.00 6.81 C ATOM 1497 CZ2 TRP A 191 5.294 -8.045 29.229 1.00 9.59 C ATOM 1498 CZ3 TRP A 191 5.799 -7.264 26.989 1.00 7.47 C ATOM 1499 CH2 TRP A 191 5.365 -8.266 27.876 1.00 8.05 C ATOM 0 H TRP A 191 5.163 -2.322 27.433 1.00 4.95 H new ATOM 0 HA TRP A 191 5.579 -2.136 30.136 1.00 5.52 H new ATOM 0 HB2 TRP A 191 7.223 -3.412 28.247 1.00 4.95 H new ATOM 0 HB3 TRP A 191 7.711 -3.078 29.690 1.00 4.95 H new ATOM 0 HD1 TRP A 191 6.258 -4.434 31.677 1.00 4.95 H new ATOM 0 HE1 TRP A 191 5.480 -6.716 31.686 1.00 7.37 H new ATOM 0 HE3 TRP A 191 6.462 -5.349 26.866 1.00 6.81 H new ATOM 0 HZ2 TRP A 191 5.006 -8.710 29.812 1.00 9.59 H new ATOM 0 HZ3 TRP A 191 5.835 -7.444 26.077 1.00 7.47 H new ATOM 0 HH2 TRP A 191 5.121 -9.097 27.538 1.00 8.05 H new ATOM 1500 N THR A 192 7.197 -0.126 29.739 1.00 5.52 N ATOM 1501 CA THR A 192 7.917 1.086 29.369 1.00 4.98 C ATOM 1502 C THR A 192 9.137 1.316 30.249 1.00 4.97 C ATOM 1503 O THR A 192 9.134 0.988 31.437 1.00 4.95 O ATOM 1504 CB THR A 192 6.994 2.324 29.427 1.00 4.95 C ATOM 1505 OG1 THR A 192 7.724 3.487 29.009 1.00 6.45 O ATOM 1506 CG2 THR A 192 6.457 2.523 30.839 1.00 6.77 C ATOM 0 H THR A 192 7.157 -0.287 30.583 1.00 5.52 H new ATOM 0 HA THR A 192 8.221 0.959 28.457 1.00 4.98 H new ATOM 0 HB THR A 192 6.242 2.185 28.830 1.00 4.95 H new ATOM 0 HG1 THR A 192 8.133 3.320 28.294 1.00 6.45 H new ATOM 0 HG21 THR A 192 5.880 3.303 30.859 1.00 6.77 H new ATOM 0 HG22 THR A 192 5.951 1.740 31.106 1.00 6.77 H new ATOM 0 HG23 THR A 192 7.198 2.653 31.452 1.00 6.77 H new ATOM 1507 N TYR A 193 10.191 1.860 29.649 1.00 4.95 N ATOM 1508 CA TYR A 193 11.427 2.145 30.370 1.00 6.62 C ATOM 1509 C TYR A 193 12.230 3.166 29.568 1.00 6.73 C ATOM 1510 O TYR A 193 12.037 3.302 28.357 1.00 8.01 O ATOM 1511 CB TYR A 193 12.260 0.863 30.547 1.00 5.08 C ATOM 1512 CG TYR A 193 12.964 0.407 29.284 1.00 5.35 C ATOM 1513 CD1 TYR A 193 12.288 -0.325 28.301 1.00 4.95 C ATOM 1514 CD2 TYR A 193 14.292 0.752 29.047 1.00 4.95 C ATOM 1515 CE1 TYR A 193 12.927 -0.695 27.112 1.00 4.95 C ATOM 1516 CE2 TYR A 193 14.936 0.393 27.862 1.00 6.50 C ATOM 1517 CZ TYR A 193 14.249 -0.326 26.902 1.00 4.95 C ATOM 1518 OH TYR A 193 14.884 -0.652 25.726 1.00 5.76 O ATOM 0 H TYR A 193 10.210 2.074 28.816 1.00 4.95 H new ATOM 0 HA TYR A 193 11.213 2.494 31.249 1.00 6.62 H new ATOM 0 HB2 TYR A 193 12.922 1.012 31.240 1.00 5.08 H new ATOM 0 HB3 TYR A 193 11.679 0.151 30.858 1.00 5.08 H new ATOM 0 HD1 TYR A 193 11.401 -0.569 28.440 1.00 4.95 H new ATOM 0 HD2 TYR A 193 14.760 1.232 29.692 1.00 4.95 H new ATOM 0 HE1 TYR A 193 12.469 -1.185 26.467 1.00 4.95 H new ATOM 0 HE2 TYR A 193 15.822 0.636 27.719 1.00 6.50 H new ATOM 0 HH TYR A 193 15.415 -0.036 25.514 1.00 5.76 H new ATOM 1519 N PRO A 194 13.130 3.909 30.233 1.00 6.13 N ATOM 1520 CA PRO A 194 13.944 4.911 29.532 1.00 5.62 C ATOM 1521 C PRO A 194 15.150 4.256 28.869 1.00 6.92 C ATOM 1522 O PRO A 194 15.915 3.538 29.527 1.00 4.95 O ATOM 1523 CB PRO A 194 14.334 5.875 30.650 1.00 4.95 C ATOM 1524 CG PRO A 194 14.484 4.953 31.827 1.00 5.23 C ATOM 1525 CD PRO A 194 13.277 4.037 31.695 1.00 8.27 C ATOM 0 HA PRO A 194 13.483 5.361 28.807 1.00 5.62 H new ATOM 0 HB2 PRO A 194 15.159 6.346 30.451 1.00 4.95 H new ATOM 0 HB3 PRO A 194 13.652 6.548 30.802 1.00 4.95 H new ATOM 0 HG2 PRO A 194 15.317 4.458 31.792 1.00 5.23 H new ATOM 0 HG3 PRO A 194 14.477 5.438 32.667 1.00 5.23 H new ATOM 0 HD2 PRO A 194 13.428 3.178 32.119 1.00 8.27 H new ATOM 0 HD3 PRO A 194 12.486 4.421 32.105 1.00 8.27 H new ATOM 1526 N GLY A 195 15.320 4.510 27.573 1.00 4.95 N ATOM 1527 CA GLY A 195 16.415 3.903 26.841 1.00 6.26 C ATOM 1528 C GLY A 195 17.083 4.756 25.778 1.00 7.19 C ATOM 1529 O GLY A 195 17.174 5.979 25.912 1.00 5.76 O ATOM 0 H GLY A 195 14.815 5.027 27.107 1.00 4.95 H new ATOM 0 HA2 GLY A 195 17.092 3.631 27.480 1.00 6.26 H new ATOM 0 HA3 GLY A 195 16.085 3.095 26.417 1.00 6.26 H new ATOM 1530 N SER A 196 17.536 4.099 24.710 1.00 6.81 N ATOM 1531 CA SER A 196 18.258 4.765 23.624 1.00 7.41 C ATOM 1532 C SER A 196 17.879 4.256 22.243 1.00 7.13 C ATOM 1533 O SER A 196 17.054 3.356 22.102 1.00 5.39 O ATOM 1534 CB SER A 196 19.755 4.515 23.787 1.00 8.66 C ATOM 1535 OG SER A 196 20.054 3.158 23.457 1.00 7.94 O ATOM 0 H SER A 196 17.433 3.253 24.594 1.00 6.81 H new ATOM 0 HA SER A 196 18.023 5.704 23.683 1.00 7.41 H new ATOM 0 HB2 SER A 196 20.257 5.115 23.213 1.00 8.66 H new ATOM 0 HB3 SER A 196 20.026 4.703 24.699 1.00 8.66 H new ATOM 0 HG SER A 196 20.172 3.091 22.628 1.00 7.94 H new ATOM 1536 N LEU A 197 18.495 4.849 21.222 1.00 6.14 N ATOM 1537 CA LEU A 197 18.289 4.397 19.850 1.00 7.59 C ATOM 1538 C LEU A 197 19.049 3.070 19.847 1.00 5.80 C ATOM 1539 O LEU A 197 20.071 2.950 20.528 1.00 5.43 O ATOM 1540 CB LEU A 197 18.952 5.357 18.861 1.00 8.16 C ATOM 1541 CG LEU A 197 18.473 6.807 18.816 1.00 5.08 C ATOM 1542 CD1 LEU A 197 19.394 7.612 17.894 1.00 5.50 C ATOM 1543 CD2 LEU A 197 17.029 6.857 18.323 1.00 6.73 C ATOM 0 H LEU A 197 19.035 5.513 21.303 1.00 6.14 H new ATOM 0 HA LEU A 197 17.355 4.336 19.596 1.00 7.59 H new ATOM 0 HB2 LEU A 197 19.903 5.367 19.052 1.00 8.16 H new ATOM 0 HB3 LEU A 197 18.845 4.984 17.972 1.00 8.16 H new ATOM 0 HG LEU A 197 18.504 7.195 19.705 1.00 5.08 H new ATOM 0 HD11 LEU A 197 19.094 8.534 17.862 1.00 5.50 H new ATOM 0 HD12 LEU A 197 20.302 7.579 18.234 1.00 5.50 H new ATOM 0 HD13 LEU A 197 19.370 7.233 17.001 1.00 5.50 H new ATOM 0 HD21 LEU A 197 16.728 7.779 18.296 1.00 6.73 H new ATOM 0 HD22 LEU A 197 16.977 6.474 17.433 1.00 6.73 H new ATOM 0 HD23 LEU A 197 16.463 6.350 18.926 1.00 6.73 H new ATOM 1544 N THR A 198 18.576 2.079 19.098 1.00 4.95 N ATOM 1545 CA THR A 198 19.254 0.783 19.068 1.00 4.95 C ATOM 1546 C THR A 198 20.341 0.665 18.000 1.00 6.72 C ATOM 1547 O THR A 198 20.935 -0.402 17.823 1.00 4.95 O ATOM 1548 CB THR A 198 18.255 -0.364 18.878 1.00 4.95 C ATOM 1549 OG1 THR A 198 17.582 -0.199 17.628 1.00 6.03 O ATOM 1550 CG2 THR A 198 17.227 -0.373 20.021 1.00 4.95 C ATOM 0 H THR A 198 17.873 2.133 18.605 1.00 4.95 H new ATOM 0 HA THR A 198 19.689 0.718 19.932 1.00 4.95 H new ATOM 0 HB THR A 198 18.735 -1.207 18.885 1.00 4.95 H new ATOM 0 HG1 THR A 198 17.108 -0.875 17.473 1.00 6.03 H new ATOM 0 HG21 THR A 198 16.602 -1.103 19.888 1.00 4.95 H new ATOM 0 HG22 THR A 198 17.685 -0.490 20.868 1.00 4.95 H new ATOM 0 HG23 THR A 198 16.744 0.468 20.029 1.00 4.95 H new ATOM 1551 N THR A 199 20.585 1.755 17.279 1.00 7.29 N ATOM 1552 CA THR A 199 21.631 1.781 16.260 1.00 7.67 C ATOM 1553 C THR A 199 22.426 3.060 16.454 1.00 7.51 C ATOM 1554 O THR A 199 21.957 3.998 17.095 1.00 7.58 O ATOM 1555 CB THR A 199 21.076 1.856 14.823 1.00 9.79 C ATOM 1556 OG1 THR A 199 20.556 3.173 14.588 1.00 10.29 O ATOM 1557 CG2 THR A 199 19.979 0.829 14.602 1.00 11.48 C ATOM 0 H THR A 199 20.154 2.494 17.365 1.00 7.29 H new ATOM 0 HA THR A 199 22.147 0.966 16.359 1.00 7.67 H new ATOM 0 HB THR A 199 21.797 1.664 14.203 1.00 9.79 H new ATOM 0 HG1 THR A 199 20.388 3.266 13.770 1.00 10.29 H new ATOM 0 HG21 THR A 199 19.649 0.898 13.692 1.00 11.48 H new ATOM 0 HG22 THR A 199 20.335 -0.061 14.750 1.00 11.48 H new ATOM 0 HG23 THR A 199 19.252 0.993 15.223 1.00 11.48 H new ATOM 1558 N PRO A 200 23.653 3.106 15.923 1.00 8.10 N ATOM 1559 CA PRO A 200 24.433 4.335 16.076 1.00 7.27 C ATOM 1560 C PRO A 200 23.549 5.459 15.523 1.00 7.94 C ATOM 1561 O PRO A 200 22.772 5.231 14.579 1.00 8.00 O ATOM 1562 CB PRO A 200 25.654 4.057 15.209 1.00 5.98 C ATOM 1563 CG PRO A 200 25.886 2.589 15.468 1.00 8.52 C ATOM 1564 CD PRO A 200 24.479 2.008 15.384 1.00 6.16 C ATOM 0 HA PRO A 200 24.700 4.586 16.974 1.00 7.27 H new ATOM 0 HB2 PRO A 200 25.484 4.239 14.272 1.00 5.98 H new ATOM 0 HB3 PRO A 200 26.416 4.598 15.469 1.00 5.98 H new ATOM 0 HG2 PRO A 200 26.478 2.196 14.808 1.00 8.52 H new ATOM 0 HG3 PRO A 200 26.288 2.435 16.337 1.00 8.52 H new ATOM 0 HD2 PRO A 200 24.234 1.784 14.473 1.00 6.16 H new ATOM 0 HD3 PRO A 200 24.390 1.197 15.909 1.00 6.16 H new ATOM 1565 N PRO A 201 23.653 6.682 16.072 1.00 8.23 N ATOM 1566 CA PRO A 201 24.507 7.172 17.160 1.00 7.77 C ATOM 1567 C PRO A 201 24.167 6.720 18.584 1.00 8.22 C ATOM 1568 O PRO A 201 24.767 7.206 19.541 1.00 9.38 O ATOM 1569 CB PRO A 201 24.418 8.684 16.998 1.00 10.25 C ATOM 1570 CG PRO A 201 22.999 8.870 16.570 1.00 10.09 C ATOM 1571 CD PRO A 201 22.829 7.780 15.530 1.00 10.48 C ATOM 0 HA PRO A 201 25.397 6.796 17.076 1.00 7.77 H new ATOM 0 HB2 PRO A 201 24.611 9.150 17.827 1.00 10.25 H new ATOM 0 HB3 PRO A 201 25.043 9.015 16.335 1.00 10.25 H new ATOM 0 HG2 PRO A 201 22.381 8.764 17.310 1.00 10.09 H new ATOM 0 HG3 PRO A 201 22.846 9.752 16.198 1.00 10.09 H new ATOM 0 HD2 PRO A 201 21.900 7.518 15.431 1.00 10.48 H new ATOM 0 HD3 PRO A 201 23.138 8.065 14.656 1.00 10.48 H new ATOM 1572 N LEU A 202 23.206 5.807 18.720 1.00 5.36 N ATOM 1573 CA LEU A 202 22.824 5.260 20.028 1.00 7.53 C ATOM 1574 C LEU A 202 22.483 6.293 21.110 1.00 7.36 C ATOM 1575 O LEU A 202 22.679 6.034 22.304 1.00 8.43 O ATOM 1576 CB LEU A 202 23.946 4.345 20.544 1.00 6.23 C ATOM 1577 CG LEU A 202 24.364 3.153 19.668 1.00 8.58 C ATOM 1578 CD1 LEU A 202 25.655 2.540 20.205 1.00 5.95 C ATOM 1579 CD2 LEU A 202 23.250 2.108 19.640 1.00 6.64 C ATOM 0 H LEU A 202 22.757 5.486 18.060 1.00 5.36 H new ATOM 0 HA LEU A 202 21.999 4.776 19.867 1.00 7.53 H new ATOM 0 HB2 LEU A 202 24.732 4.894 20.694 1.00 6.23 H new ATOM 0 HB3 LEU A 202 23.673 3.998 21.408 1.00 6.23 H new ATOM 0 HG LEU A 202 24.520 3.464 18.762 1.00 8.58 H new ATOM 0 HD11 LEU A 202 25.913 1.789 19.648 1.00 5.95 H new ATOM 0 HD12 LEU A 202 26.359 3.207 20.194 1.00 5.95 H new ATOM 0 HD13 LEU A 202 25.514 2.234 21.115 1.00 5.95 H new ATOM 0 HD21 LEU A 202 23.522 1.360 19.086 1.00 6.64 H new ATOM 0 HD22 LEU A 202 23.077 1.795 20.542 1.00 6.64 H new ATOM 0 HD23 LEU A 202 22.443 2.504 19.275 1.00 6.64 H new ATOM 1580 N LEU A 203 21.962 7.445 20.700 1.00 6.44 N ATOM 1581 CA LEU A 203 21.605 8.513 21.635 1.00 6.40 C ATOM 1582 C LEU A 203 20.583 8.065 22.686 1.00 7.06 C ATOM 1583 O LEU A 203 19.627 7.350 22.378 1.00 5.28 O ATOM 1584 CB LEU A 203 21.083 9.726 20.853 1.00 6.29 C ATOM 1585 CG LEU A 203 22.108 10.277 19.850 1.00 7.25 C ATOM 1586 CD1 LEU A 203 21.492 11.386 19.005 1.00 6.93 C ATOM 1587 CD2 LEU A 203 23.332 10.782 20.599 1.00 8.30 C ATOM 0 H LEU A 203 21.805 7.631 19.875 1.00 6.44 H new ATOM 0 HA LEU A 203 22.408 8.757 22.122 1.00 6.40 H new ATOM 0 HB2 LEU A 203 20.275 9.476 20.378 1.00 6.29 H new ATOM 0 HB3 LEU A 203 20.839 10.427 21.477 1.00 6.29 H new ATOM 0 HG LEU A 203 22.379 9.565 19.250 1.00 7.25 H new ATOM 0 HD11 LEU A 203 22.153 11.721 18.379 1.00 6.93 H new ATOM 0 HD12 LEU A 203 20.732 11.036 18.515 1.00 6.93 H new ATOM 0 HD13 LEU A 203 21.199 12.108 19.582 1.00 6.93 H new ATOM 0 HD21 LEU A 203 23.979 11.130 19.965 1.00 8.30 H new ATOM 0 HD22 LEU A 203 23.069 11.487 21.211 1.00 8.30 H new ATOM 0 HD23 LEU A 203 23.730 10.052 21.099 1.00 8.30 H new ATOM 1588 N GLU A 204 20.791 8.495 23.929 1.00 6.30 N ATOM 1589 CA GLU A 204 19.915 8.112 25.036 1.00 6.20 C ATOM 1590 C GLU A 204 18.786 9.127 25.202 1.00 6.82 C ATOM 1591 O GLU A 204 18.697 9.860 26.195 1.00 6.60 O ATOM 1592 CB GLU A 204 20.767 7.966 26.302 1.00 9.00 C ATOM 1593 CG GLU A 204 21.915 6.959 26.080 1.00 7.15 C ATOM 1594 CD GLU A 204 22.768 6.701 27.312 1.00 10.92 C ATOM 1595 OE1 GLU A 204 23.138 7.675 27.996 1.00 11.55 O ATOM 1596 OE2 GLU A 204 23.089 5.522 27.581 1.00 7.99 O ATOM 0 H GLU A 204 21.439 9.013 24.154 1.00 6.30 H new ATOM 0 HA GLU A 204 19.489 7.260 24.854 1.00 6.20 H new ATOM 0 HB2 GLU A 204 21.133 8.829 26.552 1.00 9.00 H new ATOM 0 HB3 GLU A 204 20.210 7.670 27.039 1.00 9.00 H new ATOM 0 HG2 GLU A 204 21.539 6.117 25.778 1.00 7.15 H new ATOM 0 HG3 GLU A 204 22.486 7.287 25.367 1.00 7.15 H new ATOM 1597 N CYS A 205 17.896 9.115 24.216 1.00 5.83 N ATOM 1598 CA CYS A 205 16.785 10.057 24.121 1.00 5.72 C ATOM 1599 C CYS A 205 15.418 9.398 23.967 1.00 8.25 C ATOM 1600 O CYS A 205 14.444 10.076 23.628 1.00 5.13 O ATOM 1601 CB CYS A 205 17.018 10.919 22.886 1.00 7.51 C ATOM 1602 SG CYS A 205 17.098 9.904 21.341 1.00 7.35 S ATOM 0 H CYS A 205 17.921 8.548 23.570 1.00 5.83 H new ATOM 0 HA CYS A 205 16.768 10.559 24.951 1.00 5.72 H new ATOM 0 HB2 CYS A 205 16.304 11.571 22.808 1.00 7.51 H new ATOM 0 HB3 CYS A 205 17.845 11.415 22.990 1.00 7.51 H new ATOM 0 HG CYS A 205 16.079 9.282 21.217 1.00 7.35 H new ATOM 1603 N VAL A 206 15.331 8.101 24.233 1.00 6.74 N ATOM 1604 CA VAL A 206 14.081 7.386 24.012 1.00 4.95 C ATOM 1605 C VAL A 206 13.279 6.846 25.181 1.00 5.54 C ATOM 1606 O VAL A 206 13.819 6.245 26.110 1.00 6.05 O ATOM 1607 CB VAL A 206 14.308 6.167 23.071 1.00 4.99 C ATOM 1608 CG1 VAL A 206 12.968 5.509 22.732 1.00 6.53 C ATOM 1609 CG2 VAL A 206 15.038 6.597 21.807 1.00 9.28 C ATOM 0 H VAL A 206 15.976 7.621 24.539 1.00 6.74 H new ATOM 0 HA VAL A 206 13.548 8.114 23.655 1.00 4.95 H new ATOM 0 HB VAL A 206 14.862 5.516 23.529 1.00 4.99 H new ATOM 0 HG11 VAL A 206 13.119 4.751 22.146 1.00 6.53 H new ATOM 0 HG12 VAL A 206 12.540 5.206 23.548 1.00 6.53 H new ATOM 0 HG13 VAL A 206 12.395 6.153 22.287 1.00 6.53 H new ATOM 0 HG21 VAL A 206 15.171 5.827 21.232 1.00 9.28 H new ATOM 0 HG22 VAL A 206 14.510 7.262 21.338 1.00 9.28 H new ATOM 0 HG23 VAL A 206 15.899 6.976 22.043 1.00 9.28 H new ATOM 1610 N THR A 207 11.969 7.059 25.112 1.00 5.60 N ATOM 1611 CA THR A 207 11.070 6.492 26.096 1.00 6.72 C ATOM 1612 C THR A 207 10.518 5.311 25.317 1.00 8.09 C ATOM 1613 O THR A 207 9.784 5.490 24.339 1.00 6.49 O ATOM 1614 CB THR A 207 9.892 7.416 26.463 1.00 7.31 C ATOM 1615 OG1 THR A 207 10.365 8.511 27.255 1.00 4.95 O ATOM 1616 CG2 THR A 207 8.852 6.639 27.265 1.00 4.95 C ATOM 0 H THR A 207 11.586 7.529 24.502 1.00 5.60 H new ATOM 0 HA THR A 207 11.517 6.304 26.936 1.00 6.72 H new ATOM 0 HB THR A 207 9.490 7.750 25.646 1.00 7.31 H new ATOM 0 HG1 THR A 207 10.340 9.217 26.801 1.00 4.95 H new ATOM 0 HG21 THR A 207 8.114 7.226 27.493 1.00 4.95 H new ATOM 0 HG22 THR A 207 8.523 5.897 26.735 1.00 4.95 H new ATOM 0 HG23 THR A 207 9.257 6.300 28.078 1.00 4.95 H new ATOM 1617 N TRP A 208 10.899 4.107 25.717 1.00 5.50 N ATOM 1618 CA TRP A 208 10.410 2.919 25.036 1.00 6.45 C ATOM 1619 C TRP A 208 9.053 2.464 25.552 1.00 5.02 C ATOM 1620 O TRP A 208 8.802 2.441 26.760 1.00 4.95 O ATOM 1621 CB TRP A 208 11.413 1.763 25.162 1.00 6.77 C ATOM 1622 CG TRP A 208 12.546 1.876 24.198 1.00 6.64 C ATOM 1623 CD1 TRP A 208 13.767 2.443 24.424 1.00 7.43 C ATOM 1624 CD2 TRP A 208 12.533 1.480 22.823 1.00 5.82 C ATOM 1625 NE1 TRP A 208 14.515 2.427 23.269 1.00 5.80 N ATOM 1626 CE2 TRP A 208 13.779 1.842 22.272 1.00 6.30 C ATOM 1627 CE3 TRP A 208 11.583 0.855 22.000 1.00 5.37 C ATOM 1628 CZ2 TRP A 208 14.104 1.601 20.932 1.00 7.61 C ATOM 1629 CZ3 TRP A 208 11.906 0.615 20.669 1.00 4.95 C ATOM 1630 CH2 TRP A 208 13.157 0.988 20.150 1.00 5.15 C ATOM 0 H TRP A 208 11.434 3.956 26.373 1.00 5.50 H new ATOM 0 HA TRP A 208 10.308 3.165 24.103 1.00 6.45 H new ATOM 0 HB2 TRP A 208 11.764 1.741 26.066 1.00 6.77 H new ATOM 0 HB3 TRP A 208 10.952 0.922 25.016 1.00 6.77 H new ATOM 0 HD1 TRP A 208 14.052 2.789 25.239 1.00 7.43 H new ATOM 0 HE1 TRP A 208 15.314 2.734 23.186 1.00 5.80 H new ATOM 0 HE3 TRP A 208 10.753 0.606 22.339 1.00 5.37 H new ATOM 0 HZ2 TRP A 208 14.931 1.847 20.584 1.00 7.61 H new ATOM 0 HZ3 TRP A 208 11.285 0.201 20.114 1.00 4.95 H new ATOM 0 HH2 TRP A 208 13.348 0.816 19.256 1.00 5.15 H new ATOM 1631 N ILE A 209 8.175 2.128 24.612 1.00 4.95 N ATOM 1632 CA ILE A 209 6.843 1.626 24.923 1.00 4.95 C ATOM 1633 C ILE A 209 6.763 0.355 24.083 1.00 6.93 C ATOM 1634 O ILE A 209 6.661 0.419 22.860 1.00 4.96 O ATOM 1635 CB ILE A 209 5.726 2.622 24.494 1.00 6.57 C ATOM 1636 CG1 ILE A 209 5.828 3.931 25.287 1.00 11.16 C ATOM 1637 CG2 ILE A 209 4.361 2.028 24.782 1.00 6.73 C ATOM 1638 CD1 ILE A 209 6.978 4.816 24.895 1.00 25.87 C ATOM 0 H ILE A 209 8.338 2.186 23.770 1.00 4.95 H new ATOM 0 HA ILE A 209 6.711 1.488 25.874 1.00 4.95 H new ATOM 0 HB ILE A 209 5.838 2.794 23.546 1.00 6.57 H new ATOM 0 HG12 ILE A 209 5.002 4.427 25.176 1.00 11.16 H new ATOM 0 HG13 ILE A 209 5.907 3.718 26.230 1.00 11.16 H new ATOM 0 HG21 ILE A 209 3.672 2.655 24.512 1.00 6.73 H new ATOM 0 HG22 ILE A 209 4.257 1.200 24.287 1.00 6.73 H new ATOM 0 HG23 ILE A 209 4.280 1.848 25.732 1.00 6.73 H new ATOM 0 HD11 ILE A 209 6.970 5.618 25.441 1.00 25.87 H new ATOM 0 HD12 ILE A 209 7.813 4.341 25.030 1.00 25.87 H new ATOM 0 HD13 ILE A 209 6.894 5.061 23.960 1.00 25.87 H new ATOM 1639 N VAL A 210 6.841 -0.798 24.741 1.00 4.95 N ATOM 1640 CA VAL A 210 6.813 -2.079 24.044 1.00 5.63 C ATOM 1641 C VAL A 210 5.515 -2.816 24.336 1.00 4.95 C ATOM 1642 O VAL A 210 5.219 -3.127 25.488 1.00 5.72 O ATOM 1643 CB VAL A 210 8.022 -2.954 24.480 1.00 6.69 C ATOM 1644 CG1 VAL A 210 7.987 -4.306 23.775 1.00 5.69 C ATOM 1645 CG2 VAL A 210 9.322 -2.224 24.160 1.00 6.46 C ATOM 0 H VAL A 210 6.911 -0.860 25.596 1.00 4.95 H new ATOM 0 HA VAL A 210 6.870 -1.909 23.091 1.00 5.63 H new ATOM 0 HB VAL A 210 7.970 -3.110 25.436 1.00 6.69 H new ATOM 0 HG11 VAL A 210 8.747 -4.838 24.058 1.00 5.69 H new ATOM 0 HG12 VAL A 210 7.166 -4.769 24.003 1.00 5.69 H new ATOM 0 HG13 VAL A 210 8.026 -4.172 22.815 1.00 5.69 H new ATOM 0 HG21 VAL A 210 10.076 -2.771 24.432 1.00 6.46 H new ATOM 0 HG22 VAL A 210 9.373 -2.056 23.206 1.00 6.46 H new ATOM 0 HG23 VAL A 210 9.346 -1.380 24.638 1.00 6.46 H new ATOM 1646 N LEU A 211 4.742 -3.100 23.290 1.00 5.96 N ATOM 1647 CA LEU A 211 3.465 -3.786 23.469 1.00 6.03 C ATOM 1648 C LEU A 211 3.616 -5.254 23.836 1.00 6.71 C ATOM 1649 O LEU A 211 4.483 -5.963 23.315 1.00 5.56 O ATOM 1650 CB LEU A 211 2.603 -3.661 22.208 1.00 4.98 C ATOM 1651 CG LEU A 211 2.222 -2.248 21.744 1.00 4.95 C ATOM 1652 CD1 LEU A 211 1.113 -2.367 20.700 1.00 7.25 C ATOM 1653 CD2 LEU A 211 1.737 -1.395 22.924 1.00 7.68 C ATOM 0 H LEU A 211 4.937 -2.906 22.475 1.00 5.96 H new ATOM 0 HA LEU A 211 3.029 -3.347 24.216 1.00 6.03 H new ATOM 0 HB2 LEU A 211 3.073 -4.098 21.480 1.00 4.98 H new ATOM 0 HB3 LEU A 211 1.783 -4.158 22.356 1.00 4.98 H new ATOM 0 HG LEU A 211 3.001 -1.814 21.363 1.00 4.95 H new ATOM 0 HD11 LEU A 211 0.859 -1.482 20.395 1.00 7.25 H new ATOM 0 HD12 LEU A 211 1.432 -2.889 19.947 1.00 7.25 H new ATOM 0 HD13 LEU A 211 0.343 -2.806 21.094 1.00 7.25 H new ATOM 0 HD21 LEU A 211 1.502 -0.508 22.608 1.00 7.68 H new ATOM 0 HD22 LEU A 211 0.958 -1.811 23.326 1.00 7.68 H new ATOM 0 HD23 LEU A 211 2.443 -1.326 23.585 1.00 7.68 H new ATOM 1654 N LYS A 212 2.752 -5.695 24.747 1.00 7.84 N ATOM 1655 CA LYS A 212 2.732 -7.070 25.230 1.00 8.58 C ATOM 1656 C LYS A 212 2.298 -8.056 24.151 1.00 8.59 C ATOM 1657 O LYS A 212 2.889 -9.130 23.999 1.00 8.17 O ATOM 1658 CB LYS A 212 1.773 -7.173 26.420 1.00 13.24 C ATOM 1659 CG LYS A 212 1.569 -8.581 26.958 1.00 15.35 C ATOM 1660 CD LYS A 212 0.278 -8.672 27.763 1.00 22.01 C ATOM 1661 CE LYS A 212 -0.941 -8.424 26.876 1.00 23.71 C ATOM 1662 NZ LYS A 212 -2.227 -8.563 27.614 1.00 24.24 N ATOM 0 H LYS A 212 2.152 -5.195 25.107 1.00 7.84 H new ATOM 0 HA LYS A 212 3.636 -7.301 25.494 1.00 8.58 H new ATOM 0 HB2 LYS A 212 2.107 -6.612 27.137 1.00 13.24 H new ATOM 0 HB3 LYS A 212 0.911 -6.814 26.156 1.00 13.24 H new ATOM 0 HG2 LYS A 212 1.541 -9.212 26.222 1.00 15.35 H new ATOM 0 HG3 LYS A 212 2.322 -8.830 27.517 1.00 15.35 H new ATOM 0 HD2 LYS A 212 0.210 -9.548 28.173 1.00 22.01 H new ATOM 0 HD3 LYS A 212 0.296 -8.022 28.483 1.00 22.01 H new ATOM 0 HE2 LYS A 212 -0.885 -7.533 26.497 1.00 23.71 H new ATOM 0 HE3 LYS A 212 -0.929 -9.049 26.134 1.00 23.71 H new ATOM 0 HZ1 LYS A 212 -2.831 -8.951 27.088 1.00 24.24 H new ATOM 0 HZ2 LYS A 212 -2.101 -9.063 28.339 1.00 24.24 H new ATOM 0 HZ3 LYS A 212 -2.519 -7.758 27.857 1.00 24.24 H new ATOM 1663 N GLU A 213 1.264 -7.685 23.402 1.00 6.27 N ATOM 1664 CA GLU A 213 0.728 -8.551 22.358 1.00 9.06 C ATOM 1665 C GLU A 213 1.416 -8.417 21.004 1.00 7.14 C ATOM 1666 O GLU A 213 1.433 -7.342 20.401 1.00 8.00 O ATOM 1667 CB GLU A 213 -0.777 -8.300 22.200 1.00 10.31 C ATOM 1668 CG GLU A 213 -1.427 -9.096 21.076 1.00 14.21 C ATOM 1669 CD GLU A 213 -2.942 -9.014 21.099 1.00 18.11 C ATOM 1670 OE1 GLU A 213 -3.478 -7.982 21.554 1.00 9.85 O ATOM 1671 OE2 GLU A 213 -3.598 -9.981 20.651 1.00 24.27 O ATOM 0 H GLU A 213 0.857 -6.932 23.483 1.00 6.27 H new ATOM 0 HA GLU A 213 0.902 -9.458 22.653 1.00 9.06 H new ATOM 0 HB2 GLU A 213 -1.220 -8.517 23.035 1.00 10.31 H new ATOM 0 HB3 GLU A 213 -0.922 -7.354 22.039 1.00 10.31 H new ATOM 0 HG2 GLU A 213 -1.102 -8.768 20.223 1.00 14.21 H new ATOM 0 HG3 GLU A 213 -1.156 -10.025 21.144 1.00 14.21 H new ATOM 1672 N PRO A 214 2.002 -9.516 20.506 1.00 8.79 N ATOM 1673 CA PRO A 214 2.675 -9.462 19.208 1.00 6.97 C ATOM 1674 C PRO A 214 1.651 -9.568 18.090 1.00 10.04 C ATOM 1675 O PRO A 214 0.494 -9.925 18.331 1.00 9.92 O ATOM 1676 CB PRO A 214 3.589 -10.678 19.250 1.00 9.37 C ATOM 1677 CG PRO A 214 2.764 -11.668 20.000 1.00 14.33 C ATOM 1678 CD PRO A 214 2.193 -10.835 21.139 1.00 11.10 C ATOM 0 HA PRO A 214 3.160 -8.638 19.045 1.00 6.97 H new ATOM 0 HB2 PRO A 214 3.813 -10.993 18.361 1.00 9.37 H new ATOM 0 HB3 PRO A 214 4.425 -10.487 19.702 1.00 9.37 H new ATOM 0 HG2 PRO A 214 2.064 -12.048 19.446 1.00 14.33 H new ATOM 0 HG3 PRO A 214 3.299 -12.408 20.328 1.00 14.33 H new ATOM 0 HD2 PRO A 214 1.358 -11.201 21.470 1.00 11.10 H new ATOM 0 HD3 PRO A 214 2.802 -10.789 21.893 1.00 11.10 H new ATOM 1679 N ILE A 215 2.062 -9.228 16.873 1.00 8.66 N ATOM 1680 CA ILE A 215 1.170 -9.370 15.729 1.00 8.09 C ATOM 1681 C ILE A 215 1.714 -10.579 14.987 1.00 10.32 C ATOM 1682 O ILE A 215 2.899 -10.894 15.101 1.00 7.45 O ATOM 1683 CB ILE A 215 1.206 -8.151 14.772 1.00 6.17 C ATOM 1684 CG1 ILE A 215 2.654 -7.820 14.393 1.00 6.04 C ATOM 1685 CG2 ILE A 215 0.495 -6.960 15.411 1.00 6.34 C ATOM 1686 CD1 ILE A 215 2.771 -6.799 13.267 1.00 10.70 C ATOM 0 H ILE A 215 2.843 -8.917 16.690 1.00 8.66 H new ATOM 0 HA ILE A 215 0.250 -9.451 16.026 1.00 8.09 H new ATOM 0 HB ILE A 215 0.733 -8.368 13.954 1.00 6.17 H new ATOM 0 HG12 ILE A 215 3.116 -7.482 15.176 1.00 6.04 H new ATOM 0 HG13 ILE A 215 3.106 -8.636 14.128 1.00 6.04 H new ATOM 0 HG21 ILE A 215 0.523 -6.203 14.805 1.00 6.34 H new ATOM 0 HG22 ILE A 215 -0.429 -7.194 15.593 1.00 6.34 H new ATOM 0 HG23 ILE A 215 0.938 -6.726 16.241 1.00 6.34 H new ATOM 0 HD11 ILE A 215 3.707 -6.634 13.076 1.00 10.70 H new ATOM 0 HD12 ILE A 215 2.335 -7.143 12.472 1.00 10.70 H new ATOM 0 HD13 ILE A 215 2.345 -5.970 13.536 1.00 10.70 H new ATOM 1687 N SER A 216 0.853 -11.271 14.251 1.00 11.10 N ATOM 1688 CA SER A 216 1.288 -12.436 13.492 1.00 9.52 C ATOM 1689 C SER A 216 1.459 -12.073 12.023 1.00 10.45 C ATOM 1690 O SER A 216 0.652 -11.335 11.461 1.00 14.61 O ATOM 1691 CB SER A 216 0.263 -13.573 13.606 1.00 13.94 C ATOM 1692 OG SER A 216 0.263 -14.155 14.899 1.00 18.32 O ATOM 0 H SER A 216 0.017 -11.084 14.178 1.00 11.10 H new ATOM 0 HA SER A 216 2.136 -12.731 13.859 1.00 9.52 H new ATOM 0 HB2 SER A 216 -0.622 -13.232 13.405 1.00 13.94 H new ATOM 0 HB3 SER A 216 0.461 -14.254 12.945 1.00 13.94 H new ATOM 0 HG SER A 216 -0.308 -14.771 14.929 1.00 18.32 H new ATOM 1693 N VAL A 217 2.526 -12.581 11.416 1.00 9.55 N ATOM 1694 CA VAL A 217 2.794 -12.355 10.002 1.00 10.74 C ATOM 1695 C VAL A 217 3.067 -13.738 9.424 1.00 9.04 C ATOM 1696 O VAL A 217 3.424 -14.657 10.161 1.00 12.29 O ATOM 1697 CB VAL A 217 4.018 -11.437 9.794 1.00 11.66 C ATOM 1698 CG1 VAL A 217 3.744 -10.075 10.418 1.00 7.52 C ATOM 1699 CG2 VAL A 217 5.259 -12.067 10.412 1.00 12.66 C ATOM 0 H VAL A 217 3.115 -13.066 11.813 1.00 9.55 H new ATOM 0 HA VAL A 217 2.048 -11.911 9.570 1.00 10.74 H new ATOM 0 HB VAL A 217 4.176 -11.323 8.844 1.00 11.66 H new ATOM 0 HG11 VAL A 217 4.513 -9.498 10.287 1.00 7.52 H new ATOM 0 HG12 VAL A 217 2.966 -9.677 9.997 1.00 7.52 H new ATOM 0 HG13 VAL A 217 3.578 -10.181 11.368 1.00 7.52 H new ATOM 0 HG21 VAL A 217 6.021 -11.482 10.276 1.00 12.66 H new ATOM 0 HG22 VAL A 217 5.117 -12.196 11.363 1.00 12.66 H new ATOM 0 HG23 VAL A 217 5.430 -12.924 9.992 1.00 12.66 H new ATOM 1700 N SER A 218 2.892 -13.904 8.120 1.00 8.99 N ATOM 1701 CA SER A 218 3.115 -15.215 7.522 1.00 10.59 C ATOM 1702 C SER A 218 4.580 -15.455 7.194 1.00 10.44 C ATOM 1703 O SER A 218 5.368 -14.518 7.079 1.00 9.04 O ATOM 1704 CB SER A 218 2.276 -15.373 6.253 1.00 9.41 C ATOM 1705 OG SER A 218 2.697 -14.458 5.262 1.00 11.05 O ATOM 0 H SER A 218 2.650 -13.286 7.573 1.00 8.99 H new ATOM 0 HA SER A 218 2.844 -15.875 8.179 1.00 10.59 H new ATOM 0 HB2 SER A 218 2.355 -16.280 5.918 1.00 9.41 H new ATOM 0 HB3 SER A 218 1.339 -15.227 6.458 1.00 9.41 H new ATOM 0 HG SER A 218 2.380 -14.685 4.518 1.00 11.05 H new ATOM 1706 N SER A 219 4.946 -16.722 7.052 1.00 11.93 N ATOM 1707 CA SER A 219 6.317 -17.064 6.716 1.00 14.50 C ATOM 1708 C SER A 219 6.695 -16.383 5.400 1.00 13.99 C ATOM 1709 O SER A 219 7.811 -15.886 5.246 1.00 13.19 O ATOM 1710 CB SER A 219 6.465 -18.581 6.583 1.00 15.24 C ATOM 1711 OG SER A 219 5.560 -19.091 5.618 1.00 26.95 O ATOM 0 H SER A 219 4.418 -17.394 7.146 1.00 11.93 H new ATOM 0 HA SER A 219 6.908 -16.758 7.422 1.00 14.50 H new ATOM 0 HB2 SER A 219 7.375 -18.801 6.328 1.00 15.24 H new ATOM 0 HB3 SER A 219 6.302 -19.003 7.441 1.00 15.24 H new ATOM 0 HG SER A 219 4.803 -19.192 5.969 1.00 26.95 H new ATOM 1712 N GLU A 220 5.757 -16.350 4.456 1.00 15.07 N ATOM 1713 CA GLU A 220 6.017 -15.732 3.157 1.00 13.64 C ATOM 1714 C GLU A 220 6.295 -14.231 3.262 1.00 13.57 C ATOM 1715 O GLU A 220 7.113 -13.693 2.511 1.00 12.11 O ATOM 1716 CB GLU A 220 4.845 -15.984 2.204 1.00 18.25 C ATOM 1717 CG GLU A 220 4.633 -17.458 1.880 1.00 20.01 C ATOM 1718 CD GLU A 220 3.598 -18.123 2.776 1.00 25.17 C ATOM 1719 OE1 GLU A 220 3.567 -17.834 3.991 1.00 21.57 O ATOM 1720 OE2 GLU A 220 2.816 -18.949 2.258 1.00 30.06 O ATOM 0 H GLU A 220 4.967 -16.678 4.546 1.00 15.07 H new ATOM 0 HA GLU A 220 6.820 -16.147 2.804 1.00 13.64 H new ATOM 0 HB2 GLU A 220 4.034 -15.627 2.598 1.00 18.25 H new ATOM 0 HB3 GLU A 220 4.998 -15.497 1.379 1.00 18.25 H new ATOM 0 HG2 GLU A 220 4.355 -17.543 0.955 1.00 20.01 H new ATOM 0 HG3 GLU A 220 5.477 -17.927 1.967 1.00 20.01 H new ATOM 1721 N GLN A 221 5.624 -13.553 4.191 1.00 9.62 N ATOM 1722 CA GLN A 221 5.845 -12.119 4.360 1.00 9.80 C ATOM 1723 C GLN A 221 7.248 -11.832 4.908 1.00 9.94 C ATOM 1724 O GLN A 221 7.963 -10.972 4.380 1.00 7.41 O ATOM 1725 CB GLN A 221 4.765 -11.515 5.274 1.00 13.67 C ATOM 1726 CG GLN A 221 3.353 -11.575 4.666 1.00 9.56 C ATOM 1727 CD GLN A 221 2.277 -10.911 5.523 1.00 10.37 C ATOM 1728 OE1 GLN A 221 2.122 -11.216 6.707 1.00 9.14 O ATOM 1729 NE2 GLN A 221 1.516 -10.004 4.914 1.00 9.21 N ATOM 0 H GLN A 221 5.045 -13.898 4.726 1.00 9.62 H new ATOM 0 HA GLN A 221 5.781 -11.700 3.488 1.00 9.80 H new ATOM 0 HB2 GLN A 221 4.766 -11.987 6.122 1.00 13.67 H new ATOM 0 HB3 GLN A 221 4.990 -10.591 5.464 1.00 13.67 H new ATOM 0 HG2 GLN A 221 3.368 -11.149 3.795 1.00 9.56 H new ATOM 0 HG3 GLN A 221 3.112 -12.504 4.523 1.00 9.56 H new ATOM 0 HE21 GLN A 221 1.652 -9.815 4.086 1.00 9.21 H new ATOM 0 HE22 GLN A 221 0.889 -9.607 5.349 1.00 9.21 H new ATOM 1730 N VAL A 222 7.656 -12.555 5.949 1.00 11.77 N ATOM 1731 CA VAL A 222 8.984 -12.338 6.527 1.00 10.99 C ATOM 1732 C VAL A 222 10.075 -12.780 5.558 1.00 13.18 C ATOM 1733 O VAL A 222 11.159 -12.198 5.524 1.00 11.26 O ATOM 1734 CB VAL A 222 9.164 -13.090 7.872 1.00 15.38 C ATOM 1735 CG1 VAL A 222 8.120 -12.629 8.861 1.00 20.41 C ATOM 1736 CG2 VAL A 222 9.070 -14.589 7.664 1.00 20.78 C ATOM 0 H VAL A 222 7.189 -13.167 6.332 1.00 11.77 H new ATOM 0 HA VAL A 222 9.062 -11.386 6.695 1.00 10.99 H new ATOM 0 HB VAL A 222 10.045 -12.889 8.226 1.00 15.38 H new ATOM 0 HG11 VAL A 222 8.237 -13.102 9.700 1.00 20.41 H new ATOM 0 HG12 VAL A 222 8.216 -11.676 9.012 1.00 20.41 H new ATOM 0 HG13 VAL A 222 7.236 -12.813 8.507 1.00 20.41 H new ATOM 0 HG21 VAL A 222 9.185 -15.042 8.514 1.00 20.78 H new ATOM 0 HG22 VAL A 222 8.201 -14.811 7.295 1.00 20.78 H new ATOM 0 HG23 VAL A 222 9.764 -14.875 7.050 1.00 20.78 H new ATOM 1737 N LEU A 223 9.786 -13.804 4.761 1.00 12.47 N ATOM 1738 CA LEU A 223 10.757 -14.287 3.788 1.00 13.35 C ATOM 1739 C LEU A 223 11.117 -13.178 2.804 1.00 12.30 C ATOM 1740 O LEU A 223 12.265 -13.082 2.362 1.00 12.07 O ATOM 1741 CB LEU A 223 10.205 -15.504 3.030 1.00 17.90 C ATOM 1742 CG LEU A 223 10.237 -16.836 3.789 1.00 21.56 C ATOM 1743 CD1 LEU A 223 9.492 -17.908 3.009 1.00 24.20 C ATOM 1744 CD2 LEU A 223 11.684 -17.248 4.018 1.00 21.47 C ATOM 0 H LEU A 223 9.039 -14.230 4.768 1.00 12.47 H new ATOM 0 HA LEU A 223 11.557 -14.557 4.265 1.00 13.35 H new ATOM 0 HB2 LEU A 223 9.287 -15.317 2.778 1.00 17.90 H new ATOM 0 HB3 LEU A 223 10.710 -15.608 2.208 1.00 17.90 H new ATOM 0 HG LEU A 223 9.797 -16.729 4.647 1.00 21.56 H new ATOM 0 HD11 LEU A 223 9.520 -18.744 3.500 1.00 24.20 H new ATOM 0 HD12 LEU A 223 8.569 -17.637 2.886 1.00 24.20 H new ATOM 0 HD13 LEU A 223 9.911 -18.028 2.143 1.00 24.20 H new ATOM 0 HD21 LEU A 223 11.709 -18.091 4.498 1.00 21.47 H new ATOM 0 HD22 LEU A 223 12.131 -17.350 3.163 1.00 21.47 H new ATOM 0 HD23 LEU A 223 12.136 -16.566 4.539 1.00 21.47 H new ATOM 1745 N LYS A 224 10.141 -12.337 2.464 1.00 11.15 N ATOM 1746 CA LYS A 224 10.390 -11.245 1.533 1.00 9.48 C ATOM 1747 C LYS A 224 11.246 -10.142 2.160 1.00 10.17 C ATOM 1748 O LYS A 224 11.952 -9.422 1.455 1.00 11.81 O ATOM 1749 CB LYS A 224 9.062 -10.698 0.993 1.00 13.07 C ATOM 1750 CG LYS A 224 8.330 -11.744 0.144 1.00 16.08 C ATOM 1751 CD LYS A 224 7.191 -11.173 -0.678 1.00 21.96 C ATOM 1752 CE LYS A 224 6.537 -12.267 -1.520 1.00 21.56 C ATOM 1753 NZ LYS A 224 5.408 -11.758 -2.349 1.00 23.03 N ATOM 0 H LYS A 224 9.335 -12.383 2.760 1.00 11.15 H new ATOM 0 HA LYS A 224 10.901 -11.596 0.787 1.00 9.48 H new ATOM 0 HB2 LYS A 224 8.497 -10.427 1.733 1.00 13.07 H new ATOM 0 HB3 LYS A 224 9.230 -9.906 0.459 1.00 13.07 H new ATOM 0 HG2 LYS A 224 8.967 -12.169 -0.452 1.00 16.08 H new ATOM 0 HG3 LYS A 224 7.982 -12.436 0.727 1.00 16.08 H new ATOM 0 HD2 LYS A 224 6.531 -10.771 -0.091 1.00 21.96 H new ATOM 0 HD3 LYS A 224 7.524 -10.468 -1.256 1.00 21.96 H new ATOM 0 HE2 LYS A 224 7.205 -12.666 -2.100 1.00 21.56 H new ATOM 0 HE3 LYS A 224 6.213 -12.970 -0.935 1.00 21.56 H new ATOM 0 HZ1 LYS A 224 5.060 -12.428 -2.820 1.00 23.03 H new ATOM 0 HZ2 LYS A 224 4.782 -11.412 -1.819 1.00 23.03 H new ATOM 0 HZ3 LYS A 224 5.707 -11.130 -2.904 1.00 23.03 H new ATOM 1754 N PHE A 225 11.184 -10.015 3.484 1.00 8.60 N ATOM 1755 CA PHE A 225 12.007 -9.042 4.203 1.00 7.59 C ATOM 1756 C PHE A 225 13.463 -9.473 3.997 1.00 7.33 C ATOM 1757 O PHE A 225 14.349 -8.657 3.731 1.00 8.44 O ATOM 1758 CB PHE A 225 11.718 -9.097 5.714 1.00 9.36 C ATOM 1759 CG PHE A 225 10.561 -8.241 6.169 1.00 11.15 C ATOM 1760 CD1 PHE A 225 9.450 -8.032 5.360 1.00 12.01 C ATOM 1761 CD2 PHE A 225 10.576 -7.673 7.441 1.00 13.81 C ATOM 1762 CE1 PHE A 225 8.369 -7.269 5.812 1.00 14.75 C ATOM 1763 CE2 PHE A 225 9.505 -6.911 7.903 1.00 16.29 C ATOM 1764 CZ PHE A 225 8.400 -6.708 7.088 1.00 16.72 C ATOM 0 H PHE A 225 10.669 -10.485 3.987 1.00 8.60 H new ATOM 0 HA PHE A 225 11.825 -8.146 3.878 1.00 7.59 H new ATOM 0 HB2 PHE A 225 11.540 -10.017 5.963 1.00 9.36 H new ATOM 0 HB3 PHE A 225 12.515 -8.822 6.193 1.00 9.36 H new ATOM 0 HD1 PHE A 225 9.425 -8.404 4.508 1.00 12.01 H new ATOM 0 HD2 PHE A 225 11.314 -7.805 7.991 1.00 13.81 H new ATOM 0 HE1 PHE A 225 7.631 -7.136 5.262 1.00 14.75 H new ATOM 0 HE2 PHE A 225 9.530 -6.539 8.755 1.00 16.29 H new ATOM 0 HZ PHE A 225 7.683 -6.200 7.392 1.00 16.72 H new ATOM 1765 N ARG A 226 13.694 -10.774 4.133 1.00 6.88 N ATOM 1766 CA ARG A 226 15.032 -11.354 4.007 1.00 7.96 C ATOM 1767 C ARG A 226 15.651 -11.338 2.610 1.00 10.26 C ATOM 1768 O ARG A 226 16.801 -11.747 2.442 1.00 10.80 O ATOM 1769 CB ARG A 226 15.024 -12.789 4.535 1.00 7.93 C ATOM 1770 CG ARG A 226 14.624 -12.902 5.996 1.00 8.44 C ATOM 1771 CD ARG A 226 14.422 -14.349 6.397 1.00 10.05 C ATOM 1772 NE ARG A 226 13.951 -14.477 7.776 1.00 8.62 N ATOM 1773 CZ ARG A 226 13.149 -15.451 8.192 1.00 13.05 C ATOM 1774 NH1 ARG A 226 12.734 -16.376 7.332 1.00 12.49 N ATOM 1775 NH2 ARG A 226 12.752 -15.501 9.457 1.00 11.55 N ATOM 0 H ARG A 226 13.078 -11.350 4.302 1.00 6.88 H new ATOM 0 HA ARG A 226 15.597 -10.770 4.537 1.00 7.96 H new ATOM 0 HB2 ARG A 226 14.413 -13.319 3.999 1.00 7.93 H new ATOM 0 HB3 ARG A 226 15.908 -13.172 4.420 1.00 7.93 H new ATOM 0 HG2 ARG A 226 15.309 -12.502 6.554 1.00 8.44 H new ATOM 0 HG3 ARG A 226 13.806 -12.404 6.150 1.00 8.44 H new ATOM 0 HD2 ARG A 226 13.781 -14.763 5.798 1.00 10.05 H new ATOM 0 HD3 ARG A 226 15.258 -14.831 6.296 1.00 10.05 H new ATOM 0 HE ARG A 226 14.207 -13.889 8.349 1.00 8.62 H new ATOM 0 HH11 ARG A 226 12.985 -16.342 6.510 1.00 12.49 H new ATOM 0 HH12 ARG A 226 12.215 -17.008 7.598 1.00 12.49 H new ATOM 0 HH21 ARG A 226 13.014 -14.900 10.014 1.00 11.55 H new ATOM 0 HH22 ARG A 226 12.233 -16.134 9.720 1.00 11.55 H new ATOM 1776 N LYS A 227 14.905 -10.882 1.609 1.00 8.19 N ATOM 1777 CA LYS A 227 15.443 -10.830 0.253 1.00 7.91 C ATOM 1778 C LYS A 227 16.073 -9.477 -0.053 1.00 9.99 C ATOM 1779 O LYS A 227 16.683 -9.294 -1.106 1.00 8.33 O ATOM 1780 CB LYS A 227 14.355 -11.151 -0.777 1.00 12.72 C ATOM 1781 CG LYS A 227 13.792 -12.560 -0.640 1.00 18.53 C ATOM 1782 CD LYS A 227 12.824 -12.908 -1.764 1.00 23.54 C ATOM 1783 CE LYS A 227 13.546 -13.023 -3.099 1.00 28.20 C ATOM 1784 NZ LYS A 227 12.625 -13.411 -4.203 1.00 33.97 N ATOM 0 H LYS A 227 14.096 -10.601 1.691 1.00 8.19 H new ATOM 0 HA LYS A 227 16.139 -11.503 0.195 1.00 7.91 H new ATOM 0 HB2 LYS A 227 13.632 -10.510 -0.685 1.00 12.72 H new ATOM 0 HB3 LYS A 227 14.720 -11.041 -1.669 1.00 12.72 H new ATOM 0 HG2 LYS A 227 14.522 -13.199 -0.635 1.00 18.53 H new ATOM 0 HG3 LYS A 227 13.337 -12.643 0.213 1.00 18.53 H new ATOM 0 HD2 LYS A 227 12.378 -13.745 -1.562 1.00 23.54 H new ATOM 0 HD3 LYS A 227 12.136 -12.227 -1.824 1.00 23.54 H new ATOM 0 HE2 LYS A 227 13.965 -12.175 -3.312 1.00 28.20 H new ATOM 0 HE3 LYS A 227 14.256 -13.680 -3.026 1.00 28.20 H new ATOM 0 HZ1 LYS A 227 13.082 -13.468 -4.965 1.00 33.97 H new ATOM 0 HZ2 LYS A 227 12.256 -14.200 -4.019 1.00 33.97 H new ATOM 0 HZ3 LYS A 227 11.986 -12.797 -4.286 1.00 33.97 H new ATOM 1785 N LEU A 228 15.936 -8.532 0.874 1.00 8.68 N ATOM 1786 CA LEU A 228 16.519 -7.202 0.704 1.00 8.29 C ATOM 1787 C LEU A 228 18.043 -7.313 0.831 1.00 11.36 C ATOM 1788 O LEU A 228 18.549 -8.337 1.288 1.00 9.07 O ATOM 1789 CB LEU A 228 15.965 -6.249 1.768 1.00 8.82 C ATOM 1790 CG LEU A 228 14.508 -5.789 1.646 1.00 7.23 C ATOM 1791 CD1 LEU A 228 14.062 -5.201 2.971 1.00 7.08 C ATOM 1792 CD2 LEU A 228 14.364 -4.753 0.522 1.00 7.75 C ATOM 0 H LEU A 228 15.508 -8.641 1.612 1.00 8.68 H new ATOM 0 HA LEU A 228 16.290 -6.850 -0.170 1.00 8.29 H new ATOM 0 HB2 LEU A 228 16.068 -6.678 2.632 1.00 8.82 H new ATOM 0 HB3 LEU A 228 16.525 -5.457 1.776 1.00 8.82 H new ATOM 0 HG LEU A 228 13.947 -6.549 1.426 1.00 7.23 H new ATOM 0 HD11 LEU A 228 13.140 -4.908 2.901 1.00 7.08 H new ATOM 0 HD12 LEU A 228 14.135 -5.875 3.665 1.00 7.08 H new ATOM 0 HD13 LEU A 228 14.626 -4.444 3.195 1.00 7.08 H new ATOM 0 HD21 LEU A 228 13.438 -4.472 0.457 1.00 7.75 H new ATOM 0 HD22 LEU A 228 14.922 -3.984 0.717 1.00 7.75 H new ATOM 0 HD23 LEU A 228 14.641 -5.148 -0.320 1.00 7.75 H new ATOM 1793 N ASN A 229 18.765 -6.268 0.423 1.00 7.79 N ATOM 1794 CA ASN A 229 20.231 -6.250 0.478 1.00 10.70 C ATOM 1795 C ASN A 229 20.782 -5.108 1.338 1.00 9.62 C ATOM 1796 O ASN A 229 20.234 -4.003 1.336 1.00 8.96 O ATOM 1797 CB ASN A 229 20.835 -6.060 -0.921 1.00 11.92 C ATOM 1798 CG ASN A 229 20.658 -7.258 -1.833 1.00 13.38 C ATOM 1799 OD1 ASN A 229 20.014 -8.309 -1.343 1.00 14.75 O flip ATOM 1800 ND2 ASN A 229 21.109 -7.229 -2.981 1.00 10.56 N flip ATOM 0 H ASN A 229 18.419 -5.548 0.106 1.00 7.79 H new ATOM 0 HA ASN A 229 20.477 -7.105 0.864 1.00 10.70 H new ATOM 0 HB2 ASN A 229 20.427 -5.284 -1.337 1.00 11.92 H new ATOM 0 HB3 ASN A 229 21.782 -5.869 -0.832 1.00 11.92 H new ATOM 0 HD21 ASN A 229 21.521 -6.529 -3.264 1.00 10.56 H new ATOM 0 HD22 ASN A 229 21.011 -7.909 -3.499 1.00 10.56 H new ATOM 1801 N PHE A 230 21.878 -5.379 2.048 1.00 10.86 N ATOM 1802 CA PHE A 230 22.560 -4.370 2.863 1.00 7.04 C ATOM 1803 C PHE A 230 23.384 -3.520 1.896 1.00 11.81 C ATOM 1804 O PHE A 230 23.626 -2.334 2.132 1.00 8.77 O ATOM 1805 CB PHE A 230 23.558 -5.012 3.836 1.00 8.11 C ATOM 1806 CG PHE A 230 22.954 -5.521 5.114 1.00 9.78 C ATOM 1807 CD1 PHE A 230 22.226 -4.678 5.943 1.00 8.19 C ATOM 1808 CD2 PHE A 230 23.189 -6.829 5.528 1.00 7.82 C ATOM 1809 CE1 PHE A 230 21.743 -5.131 7.174 1.00 5.72 C ATOM 1810 CE2 PHE A 230 22.714 -7.287 6.752 1.00 7.59 C ATOM 1811 CZ PHE A 230 21.992 -6.437 7.575 1.00 6.48 C ATOM 0 H PHE A 230 22.248 -6.155 2.071 1.00 10.86 H new ATOM 0 HA PHE A 230 21.901 -3.869 3.368 1.00 7.04 H new ATOM 0 HB2 PHE A 230 24.000 -5.749 3.386 1.00 8.11 H new ATOM 0 HB3 PHE A 230 24.243 -4.360 4.054 1.00 8.11 H new ATOM 0 HD1 PHE A 230 22.058 -3.803 5.677 1.00 8.19 H new ATOM 0 HD2 PHE A 230 23.670 -7.405 4.978 1.00 7.82 H new ATOM 0 HE1 PHE A 230 21.256 -4.559 7.723 1.00 5.72 H new ATOM 0 HE2 PHE A 230 22.881 -8.162 7.018 1.00 7.59 H new ATOM 0 HZ PHE A 230 21.675 -6.741 8.395 1.00 6.48 H new ATOM 1812 N ASN A 231 23.830 -4.162 0.818 1.00 10.77 N ATOM 1813 CA ASN A 231 24.669 -3.533 -0.202 1.00 13.29 C ATOM 1814 C ASN A 231 23.929 -2.656 -1.195 1.00 12.75 C ATOM 1815 O ASN A 231 22.711 -2.720 -1.311 1.00 9.03 O ATOM 1816 CB ASN A 231 25.407 -4.605 -1.002 1.00 11.88 C ATOM 1817 CG ASN A 231 24.456 -5.583 -1.671 1.00 9.49 C ATOM 1818 OD1 ASN A 231 23.950 -6.502 -1.035 1.00 11.96 O ATOM 1819 ND2 ASN A 231 24.192 -5.374 -2.956 1.00 12.39 N ATOM 0 H ASN A 231 23.651 -4.987 0.656 1.00 10.77 H new ATOM 0 HA ASN A 231 25.270 -2.958 0.297 1.00 13.29 H new ATOM 0 HB2 ASN A 231 25.958 -4.179 -1.678 1.00 11.88 H new ATOM 0 HB3 ASN A 231 26.005 -5.091 -0.413 1.00 11.88 H new ATOM 0 HD21 ASN A 231 23.648 -5.893 -3.373 1.00 12.39 H new ATOM 0 HD22 ASN A 231 24.565 -4.719 -3.371 1.00 12.39 H new ATOM 1820 N GLY A 232 24.694 -1.849 -1.925 1.00 13.08 N ATOM 1821 CA GLY A 232 24.115 -0.990 -2.942 1.00 14.13 C ATOM 1822 C GLY A 232 24.081 -1.736 -4.266 1.00 15.68 C ATOM 1823 O GLY A 232 24.675 -2.809 -4.389 1.00 14.11 O ATOM 0 H GLY A 232 25.548 -1.787 -1.845 1.00 13.08 H new ATOM 0 HA2 GLY A 232 23.218 -0.725 -2.685 1.00 14.13 H new ATOM 0 HA3 GLY A 232 24.637 -0.177 -3.030 1.00 14.13 H new ATOM 1824 N GLU A 233 23.385 -1.180 -5.254 1.00 14.54 N ATOM 1825 CA GLU A 233 23.283 -1.804 -6.570 1.00 12.35 C ATOM 1826 C GLU A 233 24.650 -1.963 -7.236 1.00 13.49 C ATOM 1827 O GLU A 233 25.504 -1.081 -7.144 1.00 11.64 O ATOM 1828 CB GLU A 233 22.352 -0.977 -7.465 1.00 16.18 C ATOM 1829 CG GLU A 233 22.411 -1.338 -8.941 1.00 19.10 C ATOM 1830 CD GLU A 233 21.418 -0.552 -9.775 1.00 24.18 C ATOM 1831 OE1 GLU A 233 21.148 0.624 -9.439 1.00 23.47 O ATOM 1832 OE2 GLU A 233 20.919 -1.106 -10.775 1.00 24.34 O ATOM 0 H GLU A 233 22.961 -0.435 -5.181 1.00 14.54 H new ATOM 0 HA GLU A 233 22.915 -2.693 -6.448 1.00 12.35 H new ATOM 0 HB2 GLU A 233 21.440 -1.087 -7.153 1.00 16.18 H new ATOM 0 HB3 GLU A 233 22.575 -0.038 -7.364 1.00 16.18 H new ATOM 0 HG2 GLU A 233 23.307 -1.176 -9.274 1.00 19.10 H new ATOM 0 HG3 GLU A 233 22.236 -2.286 -9.046 1.00 19.10 H new ATOM 1833 N GLY A 234 24.852 -3.099 -7.898 1.00 14.68 N ATOM 1834 CA GLY A 234 26.112 -3.358 -8.572 1.00 17.75 C ATOM 1835 C GLY A 234 27.203 -3.907 -7.674 1.00 20.43 C ATOM 1836 O GLY A 234 28.306 -4.196 -8.138 1.00 23.58 O ATOM 0 H GLY A 234 24.271 -3.729 -7.967 1.00 14.68 H new ATOM 0 HA2 GLY A 234 25.956 -3.986 -9.294 1.00 17.75 H new ATOM 0 HA3 GLY A 234 26.425 -2.534 -8.976 1.00 17.75 H new ATOM 1837 N GLU A 235 26.905 -4.054 -6.388 1.00 16.78 N ATOM 1838 CA GLU A 235 27.881 -4.571 -5.435 1.00 17.01 C ATOM 1839 C GLU A 235 27.572 -6.022 -5.082 1.00 16.68 C ATOM 1840 O GLU A 235 26.474 -6.512 -5.357 1.00 17.87 O ATOM 1841 CB GLU A 235 27.868 -3.719 -4.164 1.00 18.72 C ATOM 1842 CG GLU A 235 28.244 -2.263 -4.384 1.00 20.68 C ATOM 1843 CD GLU A 235 28.092 -1.424 -3.128 1.00 24.74 C ATOM 1844 OE1 GLU A 235 28.481 -0.238 -3.153 1.00 28.24 O ATOM 1845 OE2 GLU A 235 27.579 -1.946 -2.113 1.00 23.19 O ATOM 0 H GLU A 235 26.140 -3.860 -6.046 1.00 16.78 H new ATOM 0 HA GLU A 235 28.760 -4.531 -5.843 1.00 17.01 H new ATOM 0 HB2 GLU A 235 26.982 -3.758 -3.770 1.00 18.72 H new ATOM 0 HB3 GLU A 235 28.482 -4.107 -3.521 1.00 18.72 H new ATOM 0 HG2 GLU A 235 29.162 -2.213 -4.693 1.00 20.68 H new ATOM 0 HG3 GLU A 235 27.688 -1.891 -5.086 1.00 20.68 H new ATOM 1846 N PRO A 236 28.549 -6.740 -4.497 1.00 18.30 N ATOM 1847 CA PRO A 236 28.346 -8.141 -4.110 1.00 19.03 C ATOM 1848 C PRO A 236 27.158 -8.208 -3.149 1.00 15.92 C ATOM 1849 O PRO A 236 27.066 -7.412 -2.215 1.00 15.97 O ATOM 1850 CB PRO A 236 29.663 -8.501 -3.432 1.00 19.49 C ATOM 1851 CG PRO A 236 30.658 -7.686 -4.209 1.00 19.71 C ATOM 1852 CD PRO A 236 29.957 -6.344 -4.304 1.00 21.08 C ATOM 0 HA PRO A 236 28.143 -8.748 -4.839 1.00 19.03 H new ATOM 0 HB2 PRO A 236 29.661 -8.268 -2.491 1.00 19.49 H new ATOM 0 HB3 PRO A 236 29.851 -9.451 -3.488 1.00 19.49 H new ATOM 0 HG2 PRO A 236 31.510 -7.619 -3.751 1.00 19.71 H new ATOM 0 HG3 PRO A 236 30.835 -8.066 -5.084 1.00 19.71 H new ATOM 0 HD2 PRO A 236 30.077 -5.815 -3.500 1.00 21.08 H new ATOM 0 HD3 PRO A 236 30.289 -5.814 -5.045 1.00 21.08 H new ATOM 1853 N GLU A 237 26.263 -9.162 -3.370 1.00 12.51 N ATOM 1854 CA GLU A 237 25.070 -9.276 -2.544 1.00 12.72 C ATOM 1855 C GLU A 237 25.242 -9.784 -1.119 1.00 13.73 C ATOM 1856 O GLU A 237 25.820 -10.845 -0.873 1.00 10.66 O ATOM 1857 CB GLU A 237 24.022 -10.134 -3.257 1.00 13.12 C ATOM 1858 CG GLU A 237 22.718 -10.266 -2.483 1.00 16.77 C ATOM 1859 CD GLU A 237 21.655 -11.028 -3.248 1.00 18.77 C ATOM 1860 OE1 GLU A 237 21.970 -12.116 -3.776 1.00 26.05 O ATOM 1861 OE2 GLU A 237 20.504 -10.546 -3.315 1.00 16.83 O ATOM 0 H GLU A 237 26.328 -9.752 -3.992 1.00 12.51 H new ATOM 0 HA GLU A 237 24.790 -8.354 -2.434 1.00 12.72 H new ATOM 0 HB2 GLU A 237 23.836 -9.748 -4.127 1.00 13.12 H new ATOM 0 HB3 GLU A 237 24.389 -11.018 -3.412 1.00 13.12 H new ATOM 0 HG2 GLU A 237 22.890 -10.717 -1.642 1.00 16.77 H new ATOM 0 HG3 GLU A 237 22.384 -9.381 -2.268 1.00 16.77 H new ATOM 1862 N GLU A 238 24.718 -8.997 -0.186 1.00 12.99 N ATOM 1863 CA GLU A 238 24.732 -9.321 1.234 1.00 15.67 C ATOM 1864 C GLU A 238 23.274 -9.207 1.655 1.00 12.99 C ATOM 1865 O GLU A 238 22.725 -8.105 1.696 1.00 13.38 O ATOM 1866 CB GLU A 238 25.559 -8.304 2.019 1.00 17.77 C ATOM 1867 CG GLU A 238 27.034 -8.283 1.688 1.00 25.16 C ATOM 1868 CD GLU A 238 27.758 -7.155 2.397 1.00 30.32 C ATOM 1869 OE1 GLU A 238 27.487 -5.979 2.073 1.00 32.71 O ATOM 1870 OE2 GLU A 238 28.588 -7.441 3.283 1.00 36.18 O ATOM 0 H GLU A 238 24.338 -8.247 -0.364 1.00 12.99 H new ATOM 0 HA GLU A 238 25.119 -10.195 1.401 1.00 15.67 H new ATOM 0 HB2 GLU A 238 25.194 -7.420 1.860 1.00 17.77 H new ATOM 0 HB3 GLU A 238 25.457 -8.487 2.966 1.00 17.77 H new ATOM 0 HG2 GLU A 238 27.433 -9.131 1.939 1.00 25.16 H new ATOM 0 HG3 GLU A 238 27.148 -8.188 0.729 1.00 25.16 H new ATOM 1871 N LEU A 239 22.636 -10.335 1.943 1.00 10.39 N ATOM 1872 CA LEU A 239 21.237 -10.304 2.340 1.00 7.41 C ATOM 1873 C LEU A 239 21.021 -9.506 3.621 1.00 7.59 C ATOM 1874 O LEU A 239 21.771 -9.652 4.591 1.00 6.67 O ATOM 1875 CB LEU A 239 20.692 -11.726 2.537 1.00 8.21 C ATOM 1876 CG LEU A 239 20.618 -12.655 1.317 1.00 11.25 C ATOM 1877 CD1 LEU A 239 19.912 -13.946 1.724 1.00 12.38 C ATOM 1878 CD2 LEU A 239 19.867 -11.980 0.180 1.00 10.16 C ATOM 0 H LEU A 239 22.990 -11.118 1.915 1.00 10.39 H new ATOM 0 HA LEU A 239 20.756 -9.866 1.621 1.00 7.41 H new ATOM 0 HB2 LEU A 239 21.240 -12.162 3.208 1.00 8.21 H new ATOM 0 HB3 LEU A 239 19.798 -11.651 2.906 1.00 8.21 H new ATOM 0 HG LEU A 239 21.515 -12.856 1.007 1.00 11.25 H new ATOM 0 HD11 LEU A 239 19.860 -14.541 0.960 1.00 12.38 H new ATOM 0 HD12 LEU A 239 20.411 -14.377 2.436 1.00 12.38 H new ATOM 0 HD13 LEU A 239 19.017 -13.741 2.036 1.00 12.38 H new ATOM 0 HD21 LEU A 239 19.828 -12.578 -0.583 1.00 10.16 H new ATOM 0 HD22 LEU A 239 18.966 -11.767 0.469 1.00 10.16 H new ATOM 0 HD23 LEU A 239 20.327 -11.164 -0.072 1.00 10.16 H new ATOM 1879 N MET A 240 19.995 -8.659 3.617 1.00 6.88 N ATOM 1880 CA MET A 240 19.666 -7.860 4.795 1.00 7.48 C ATOM 1881 C MET A 240 18.891 -8.738 5.782 1.00 8.30 C ATOM 1882 O MET A 240 17.664 -8.862 5.701 1.00 8.32 O ATOM 1883 CB MET A 240 18.820 -6.633 4.406 1.00 8.82 C ATOM 1884 CG MET A 240 18.452 -5.729 5.589 1.00 4.95 C ATOM 1885 SD MET A 240 17.547 -4.247 5.106 1.00 8.76 S ATOM 1886 CE MET A 240 18.897 -3.226 4.509 1.00 6.62 C ATOM 0 H MET A 240 19.477 -8.532 2.943 1.00 6.88 H new ATOM 0 HA MET A 240 20.485 -7.541 5.204 1.00 7.48 H new ATOM 0 HB2 MET A 240 19.308 -6.110 3.751 1.00 8.82 H new ATOM 0 HB3 MET A 240 18.005 -6.937 3.977 1.00 8.82 H new ATOM 0 HG2 MET A 240 17.916 -6.235 6.220 1.00 4.95 H new ATOM 0 HG3 MET A 240 19.263 -5.468 6.052 1.00 4.95 H new ATOM 0 HE1 MET A 240 18.547 -2.378 4.193 1.00 6.62 H new ATOM 0 HE2 MET A 240 19.526 -3.067 5.230 1.00 6.62 H new ATOM 0 HE3 MET A 240 19.349 -3.680 3.781 1.00 6.62 H new ATOM 1887 N VAL A 241 19.626 -9.360 6.700 1.00 6.78 N ATOM 1888 CA VAL A 241 19.046 -10.226 7.723 1.00 10.27 C ATOM 1889 C VAL A 241 19.816 -10.045 9.031 1.00 7.99 C ATOM 1890 O VAL A 241 20.983 -9.650 9.027 1.00 7.46 O ATOM 1891 CB VAL A 241 19.108 -11.723 7.318 1.00 7.74 C ATOM 1892 CG1 VAL A 241 18.279 -11.966 6.064 1.00 9.65 C ATOM 1893 CG2 VAL A 241 20.552 -12.146 7.089 1.00 10.35 C ATOM 0 H VAL A 241 20.482 -9.291 6.747 1.00 6.78 H new ATOM 0 HA VAL A 241 18.115 -9.975 7.828 1.00 10.27 H new ATOM 0 HB VAL A 241 18.739 -12.256 8.039 1.00 7.74 H new ATOM 0 HG11 VAL A 241 18.326 -12.904 5.822 1.00 9.65 H new ATOM 0 HG12 VAL A 241 17.356 -11.722 6.234 1.00 9.65 H new ATOM 0 HG13 VAL A 241 18.627 -11.427 5.336 1.00 9.65 H new ATOM 0 HG21 VAL A 241 20.579 -13.082 6.837 1.00 10.35 H new ATOM 0 HG22 VAL A 241 20.938 -11.609 6.379 1.00 10.35 H new ATOM 0 HG23 VAL A 241 21.061 -12.017 7.905 1.00 10.35 H new ATOM 1894 N ASP A 242 19.157 -10.340 10.144 1.00 7.31 N ATOM 1895 CA ASP A 242 19.771 -10.206 11.459 1.00 6.58 C ATOM 1896 C ASP A 242 20.300 -8.800 11.709 1.00 7.96 C ATOM 1897 O ASP A 242 21.417 -8.617 12.192 1.00 8.11 O ATOM 1898 CB ASP A 242 20.899 -11.230 11.633 1.00 8.02 C ATOM 1899 CG ASP A 242 20.383 -12.657 11.688 1.00 8.06 C ATOM 1900 OD1 ASP A 242 19.414 -12.907 12.434 1.00 6.86 O ATOM 1901 OD2 ASP A 242 20.943 -13.528 10.993 1.00 7.43 O ATOM 0 H ASP A 242 18.345 -10.622 10.159 1.00 7.31 H new ATOM 0 HA ASP A 242 19.077 -10.378 12.114 1.00 6.58 H new ATOM 0 HB2 ASP A 242 21.527 -11.144 10.898 1.00 8.02 H new ATOM 0 HB3 ASP A 242 21.387 -11.034 12.448 1.00 8.02 H new ATOM 1902 N ASN A 243 19.489 -7.801 11.382 1.00 7.62 N ATOM 1903 CA ASN A 243 19.881 -6.413 11.594 1.00 4.95 C ATOM 1904 C ASN A 243 19.332 -5.946 12.946 1.00 7.07 C ATOM 1905 O ASN A 243 18.651 -4.920 13.038 1.00 5.40 O ATOM 1906 CB ASN A 243 19.343 -5.539 10.453 1.00 5.12 C ATOM 1907 CG ASN A 243 17.846 -5.654 10.286 1.00 8.86 C ATOM 1908 OD1 ASN A 243 17.225 -6.586 10.798 1.00 6.30 O ATOM 1909 ND2 ASN A 243 17.255 -4.711 9.553 1.00 5.75 N ATOM 0 H ASN A 243 18.708 -7.905 11.037 1.00 7.62 H new ATOM 0 HA ASN A 243 20.848 -6.336 11.600 1.00 4.95 H new ATOM 0 HB2 ASN A 243 19.575 -4.613 10.623 1.00 5.12 H new ATOM 0 HB3 ASN A 243 19.778 -5.793 9.624 1.00 5.12 H new ATOM 0 HD21 ASN A 243 16.406 -4.738 9.421 1.00 5.75 H new ATOM 0 HD22 ASN A 243 17.723 -4.075 9.212 1.00 5.75 H new ATOM 1910 N TRP A 244 19.626 -6.724 13.990 1.00 4.95 N ATOM 1911 CA TRP A 244 19.174 -6.413 15.347 1.00 6.08 C ATOM 1912 C TRP A 244 20.333 -6.354 16.341 1.00 7.24 C ATOM 1913 O TRP A 244 21.323 -7.083 16.202 1.00 6.12 O ATOM 1914 CB TRP A 244 18.153 -7.460 15.837 1.00 4.95 C ATOM 1915 CG TRP A 244 18.598 -8.907 15.664 1.00 5.93 C ATOM 1916 CD1 TRP A 244 18.536 -9.650 14.519 1.00 4.95 C ATOM 1917 CD2 TRP A 244 19.195 -9.759 16.660 1.00 4.95 C ATOM 1918 NE1 TRP A 244 19.056 -10.910 14.736 1.00 5.71 N ATOM 1919 CE2 TRP A 244 19.468 -11.002 16.040 1.00 7.28 C ATOM 1920 CE3 TRP A 244 19.527 -9.591 18.015 1.00 5.89 C ATOM 1921 CZ2 TRP A 244 20.056 -12.073 16.727 1.00 4.95 C ATOM 1922 CZ3 TRP A 244 20.115 -10.659 18.701 1.00 4.95 C ATOM 1923 CH2 TRP A 244 20.372 -11.884 18.051 1.00 9.62 C ATOM 0 H TRP A 244 20.092 -7.445 13.931 1.00 4.95 H new ATOM 0 HA TRP A 244 18.758 -5.538 15.305 1.00 6.08 H new ATOM 0 HB2 TRP A 244 17.969 -7.300 16.776 1.00 4.95 H new ATOM 0 HB3 TRP A 244 17.319 -7.331 15.358 1.00 4.95 H new ATOM 0 HD1 TRP A 244 18.192 -9.350 13.709 1.00 4.95 H new ATOM 0 HE1 TRP A 244 19.112 -11.536 14.149 1.00 5.71 H new ATOM 0 HE3 TRP A 244 19.359 -8.785 18.448 1.00 5.89 H new ATOM 0 HZ2 TRP A 244 20.226 -12.883 16.302 1.00 4.95 H new ATOM 0 HZ3 TRP A 244 20.340 -10.560 19.598 1.00 4.95 H new ATOM 0 HH2 TRP A 244 20.764 -12.579 18.529 1.00 9.62 H new ATOM 1924 N ARG A 245 20.209 -5.478 17.336 1.00 4.95 N ATOM 1925 CA ARG A 245 21.222 -5.362 18.383 1.00 5.09 C ATOM 1926 C ARG A 245 20.739 -6.263 19.517 1.00 4.95 C ATOM 1927 O ARG A 245 19.548 -6.304 19.821 1.00 7.99 O ATOM 1928 CB ARG A 245 21.326 -3.919 18.897 1.00 4.95 C ATOM 1929 CG ARG A 245 22.457 -3.697 19.911 1.00 5.89 C ATOM 1930 CD ARG A 245 22.398 -2.314 20.560 1.00 4.95 C ATOM 1931 NE ARG A 245 23.672 -1.965 21.193 1.00 8.01 N ATOM 1932 CZ ARG A 245 23.846 -0.959 22.045 1.00 8.86 C ATOM 1933 NH1 ARG A 245 22.822 -0.188 22.393 1.00 5.61 N ATOM 1934 NH2 ARG A 245 25.059 -0.704 22.529 1.00 6.24 N ATOM 0 H ARG A 245 19.544 -4.940 17.423 1.00 4.95 H new ATOM 0 HA ARG A 245 22.097 -5.613 18.048 1.00 5.09 H new ATOM 0 HB2 ARG A 245 21.460 -3.325 18.142 1.00 4.95 H new ATOM 0 HB3 ARG A 245 20.483 -3.670 19.307 1.00 4.95 H new ATOM 0 HG2 ARG A 245 22.407 -4.377 20.601 1.00 5.89 H new ATOM 0 HG3 ARG A 245 23.312 -3.806 19.466 1.00 5.89 H new ATOM 0 HD2 ARG A 245 22.176 -1.649 19.889 1.00 4.95 H new ATOM 0 HD3 ARG A 245 21.690 -2.296 21.223 1.00 4.95 H new ATOM 0 HE ARG A 245 24.358 -2.446 20.999 1.00 8.01 H new ATOM 0 HH11 ARG A 245 22.040 -0.338 22.067 1.00 5.61 H new ATOM 0 HH12 ARG A 245 22.940 0.461 22.944 1.00 5.61 H new ATOM 0 HH21 ARG A 245 25.728 -1.189 22.291 1.00 6.24 H new ATOM 0 HH22 ARG A 245 25.174 -0.054 23.080 1.00 6.24 H new ATOM 1935 N PRO A 246 21.653 -7.006 20.154 1.00 7.42 N ATOM 1936 CA PRO A 246 21.226 -7.879 21.250 1.00 7.18 C ATOM 1937 C PRO A 246 20.912 -7.081 22.521 1.00 7.37 C ATOM 1938 O PRO A 246 21.253 -5.895 22.628 1.00 6.70 O ATOM 1939 CB PRO A 246 22.417 -8.822 21.415 1.00 6.44 C ATOM 1940 CG PRO A 246 23.578 -7.943 21.066 1.00 8.85 C ATOM 1941 CD PRO A 246 23.086 -7.182 19.855 1.00 7.73 C ATOM 0 HA PRO A 246 20.400 -8.355 21.070 1.00 7.18 H new ATOM 0 HB2 PRO A 246 22.483 -9.165 22.320 1.00 6.44 H new ATOM 0 HB3 PRO A 246 22.355 -9.589 20.825 1.00 6.44 H new ATOM 0 HG2 PRO A 246 23.807 -7.346 21.795 1.00 8.85 H new ATOM 0 HG3 PRO A 246 24.372 -8.462 20.864 1.00 8.85 H new ATOM 0 HD2 PRO A 246 23.541 -6.332 19.753 1.00 7.73 H new ATOM 0 HD3 PRO A 246 23.226 -7.679 19.034 1.00 7.73 H new ATOM 1942 N ALA A 247 20.262 -7.735 23.479 1.00 7.27 N ATOM 1943 CA ALA A 247 19.900 -7.095 24.741 1.00 5.51 C ATOM 1944 C ALA A 247 21.108 -6.548 25.504 1.00 8.27 C ATOM 1945 O ALA A 247 22.155 -7.195 25.590 1.00 6.18 O ATOM 1946 CB ALA A 247 19.128 -8.080 25.618 1.00 7.83 C ATOM 0 H ALA A 247 20.019 -8.558 23.417 1.00 7.27 H new ATOM 0 HA ALA A 247 19.341 -6.333 24.522 1.00 5.51 H new ATOM 0 HB1 ALA A 247 18.890 -7.651 26.455 1.00 7.83 H new ATOM 0 HB2 ALA A 247 18.321 -8.360 25.158 1.00 7.83 H new ATOM 0 HB3 ALA A 247 19.682 -8.855 25.799 1.00 7.83 H new ATOM 1947 N GLN A 248 20.943 -5.352 26.066 1.00 7.90 N ATOM 1948 CA GLN A 248 21.994 -4.681 26.827 1.00 7.33 C ATOM 1949 C GLN A 248 21.647 -4.672 28.318 1.00 8.97 C ATOM 1950 O GLN A 248 20.489 -4.853 28.696 1.00 8.09 O ATOM 1951 CB GLN A 248 22.148 -3.240 26.331 1.00 5.20 C ATOM 1952 CG GLN A 248 22.414 -3.126 24.839 1.00 7.20 C ATOM 1953 CD GLN A 248 23.731 -3.763 24.445 1.00 7.12 C ATOM 1954 OE1 GLN A 248 24.789 -3.369 24.933 1.00 11.32 O ATOM 1955 NE2 GLN A 248 23.672 -4.758 23.565 1.00 9.07 N ATOM 0 H GLN A 248 20.211 -4.904 26.015 1.00 7.90 H new ATOM 0 HA GLN A 248 22.827 -5.161 26.700 1.00 7.33 H new ATOM 0 HB2 GLN A 248 21.341 -2.746 26.545 1.00 5.20 H new ATOM 0 HB3 GLN A 248 22.876 -2.818 26.813 1.00 5.20 H new ATOM 0 HG2 GLN A 248 21.692 -3.550 24.350 1.00 7.20 H new ATOM 0 HG3 GLN A 248 22.419 -2.190 24.583 1.00 7.20 H new ATOM 0 HE21 GLN A 248 22.913 -5.005 23.246 1.00 9.07 H new ATOM 0 HE22 GLN A 248 24.393 -5.154 23.315 1.00 9.07 H new ATOM 1956 N PRO A 249 22.649 -4.453 29.188 1.00 10.77 N ATOM 1957 CA PRO A 249 22.429 -4.423 30.640 1.00 12.04 C ATOM 1958 C PRO A 249 21.377 -3.393 31.055 1.00 11.44 C ATOM 1959 O PRO A 249 21.389 -2.256 30.583 1.00 10.12 O ATOM 1960 CB PRO A 249 23.810 -4.074 31.190 1.00 13.58 C ATOM 1961 CG PRO A 249 24.734 -4.672 30.180 1.00 14.75 C ATOM 1962 CD PRO A 249 24.080 -4.281 28.877 1.00 11.29 C ATOM 0 HA PRO A 249 22.080 -5.262 30.980 1.00 12.04 H new ATOM 0 HB2 PRO A 249 23.934 -3.115 31.267 1.00 13.58 H new ATOM 0 HB3 PRO A 249 23.951 -4.450 32.073 1.00 13.58 H new ATOM 0 HG2 PRO A 249 25.633 -4.315 30.255 1.00 14.75 H new ATOM 0 HG3 PRO A 249 24.802 -5.635 30.277 1.00 14.75 H new ATOM 0 HD2 PRO A 249 24.290 -3.368 28.625 1.00 11.29 H new ATOM 0 HD3 PRO A 249 24.363 -4.850 28.144 1.00 11.29 H new ATOM 1963 N LEU A 250 20.474 -3.785 31.947 1.00 10.30 N ATOM 1964 CA LEU A 250 19.429 -2.872 32.400 1.00 9.74 C ATOM 1965 C LEU A 250 20.014 -1.790 33.304 1.00 10.46 C ATOM 1966 O LEU A 250 19.546 -0.649 33.308 1.00 6.73 O ATOM 1967 CB LEU A 250 18.336 -3.638 33.154 1.00 13.11 C ATOM 1968 CG LEU A 250 17.128 -2.810 33.608 1.00 13.30 C ATOM 1969 CD1 LEU A 250 16.402 -2.229 32.392 1.00 11.20 C ATOM 1970 CD2 LEU A 250 16.186 -3.694 34.423 1.00 14.67 C ATOM 0 H LEU A 250 20.448 -4.569 32.300 1.00 10.30 H new ATOM 0 HA LEU A 250 19.039 -2.451 31.618 1.00 9.74 H new ATOM 0 HB2 LEU A 250 18.018 -4.357 32.585 1.00 13.11 H new ATOM 0 HB3 LEU A 250 18.735 -4.051 33.936 1.00 13.11 H new ATOM 0 HG LEU A 250 17.430 -2.074 34.163 1.00 13.30 H new ATOM 0 HD11 LEU A 250 15.640 -1.707 32.689 1.00 11.20 H new ATOM 0 HD12 LEU A 250 17.009 -1.659 31.894 1.00 11.20 H new ATOM 0 HD13 LEU A 250 16.096 -2.952 31.822 1.00 11.20 H new ATOM 0 HD21 LEU A 250 15.421 -3.172 34.711 1.00 14.67 H new ATOM 0 HD22 LEU A 250 15.883 -4.436 33.876 1.00 14.67 H new ATOM 0 HD23 LEU A 250 16.655 -4.036 35.200 1.00 14.67 H new ATOM 1971 N LYS A 251 21.043 -2.159 34.063 1.00 10.75 N ATOM 1972 CA LYS A 251 21.706 -1.238 34.984 1.00 11.85 C ATOM 1973 C LYS A 251 20.720 -0.563 35.948 1.00 11.41 C ATOM 1974 O LYS A 251 19.815 -1.223 36.460 1.00 15.91 O ATOM 1975 CB LYS A 251 22.511 -0.200 34.195 1.00 13.28 C ATOM 1976 CG LYS A 251 23.646 -0.824 33.372 1.00 13.91 C ATOM 1977 CD LYS A 251 24.532 0.219 32.703 1.00 16.95 C ATOM 1978 CE LYS A 251 25.681 -0.452 31.953 1.00 15.27 C ATOM 1979 NZ LYS A 251 26.603 0.530 31.314 1.00 14.55 N ATOM 0 H LYS A 251 21.377 -2.951 34.059 1.00 10.75 H new ATOM 0 HA LYS A 251 22.313 -1.756 35.535 1.00 11.85 H new ATOM 0 HB2 LYS A 251 21.914 0.282 33.601 1.00 13.28 H new ATOM 0 HB3 LYS A 251 22.884 0.450 34.811 1.00 13.28 H new ATOM 0 HG2 LYS A 251 24.190 -1.382 33.950 1.00 13.91 H new ATOM 0 HG3 LYS A 251 23.267 -1.404 32.693 1.00 13.91 H new ATOM 0 HD2 LYS A 251 24.005 0.751 32.087 1.00 16.95 H new ATOM 0 HD3 LYS A 251 24.886 0.826 33.371 1.00 16.95 H new ATOM 0 HE2 LYS A 251 26.183 -1.008 32.569 1.00 15.27 H new ATOM 0 HE3 LYS A 251 25.318 -1.040 31.272 1.00 15.27 H new ATOM 0 HZ1 LYS A 251 27.147 0.105 30.752 1.00 14.55 H new ATOM 0 HZ2 LYS A 251 26.128 1.135 30.866 1.00 14.55 H new ATOM 0 HZ3 LYS A 251 27.085 0.937 31.942 1.00 14.55 H new ATOM 1980 N ASN A 252 20.881 0.736 36.192 1.00 15.34 N ATOM 1981 CA ASN A 252 20.008 1.454 37.129 1.00 18.04 C ATOM 1982 C ASN A 252 18.650 1.882 36.577 1.00 18.59 C ATOM 1983 O ASN A 252 18.289 3.059 36.658 1.00 16.98 O ATOM 1984 CB ASN A 252 20.720 2.697 37.678 1.00 24.47 C ATOM 1985 CG ASN A 252 21.947 2.358 38.503 1.00 34.11 C ATOM 1986 OD1 ASN A 252 21.869 1.607 39.479 1.00 40.17 O ATOM 1987 ND2 ASN A 252 23.090 2.916 38.118 1.00 35.76 N ATOM 0 H ASN A 252 21.489 1.223 35.827 1.00 15.34 H new ATOM 0 HA ASN A 252 19.824 0.803 37.824 1.00 18.04 H new ATOM 0 HB2 ASN A 252 20.981 3.268 36.938 1.00 24.47 H new ATOM 0 HB3 ASN A 252 20.099 3.205 38.223 1.00 24.47 H new ATOM 0 HD21 ASN A 252 23.814 2.759 38.555 1.00 35.76 H new ATOM 0 HD22 ASN A 252 23.106 3.435 37.432 1.00 35.76 H new ATOM 1988 N ARG A 253 17.891 0.936 36.034 1.00 14.42 N ATOM 1989 CA ARG A 253 16.581 1.256 35.479 1.00 12.48 C ATOM 1990 C ARG A 253 15.484 0.297 35.917 1.00 11.77 C ATOM 1991 O ARG A 253 15.742 -0.852 36.295 1.00 14.71 O ATOM 1992 CB ARG A 253 16.646 1.292 33.953 1.00 10.43 C ATOM 1993 CG ARG A 253 17.505 2.415 33.399 1.00 9.18 C ATOM 1994 CD ARG A 253 17.604 2.322 31.882 1.00 9.51 C ATOM 1995 NE ARG A 253 18.397 1.169 31.453 1.00 6.94 N ATOM 1996 CZ ARG A 253 18.592 0.831 30.181 1.00 8.48 C ATOM 1997 NH1 ARG A 253 18.047 1.553 29.209 1.00 7.01 N ATOM 1998 NH2 ARG A 253 19.338 -0.226 29.880 1.00 5.26 N ATOM 0 H ARG A 253 18.114 0.107 35.977 1.00 14.42 H new ATOM 0 HA ARG A 253 16.348 2.130 35.829 1.00 12.48 H new ATOM 0 HB2 ARG A 253 16.992 0.444 33.633 1.00 10.43 H new ATOM 0 HB3 ARG A 253 15.746 1.382 33.602 1.00 10.43 H new ATOM 0 HG2 ARG A 253 17.126 3.272 33.651 1.00 9.18 H new ATOM 0 HG3 ARG A 253 18.392 2.372 33.789 1.00 9.18 H new ATOM 0 HD2 ARG A 253 16.713 2.259 31.504 1.00 9.51 H new ATOM 0 HD3 ARG A 253 18.003 3.135 31.534 1.00 9.51 H new ATOM 0 HE ARG A 253 18.759 0.680 32.061 1.00 6.94 H new ATOM 0 HH11 ARG A 253 17.567 2.240 29.401 1.00 7.01 H new ATOM 0 HH12 ARG A 253 18.174 1.333 28.387 1.00 7.01 H new ATOM 0 HH21 ARG A 253 19.696 -0.693 30.508 1.00 5.26 H new ATOM 0 HH22 ARG A 253 19.463 -0.444 29.057 1.00 5.26 H new ATOM 1999 N GLN A 254 14.254 0.793 35.853 1.00 14.59 N ATOM 2000 CA GLN A 254 13.067 0.043 36.237 1.00 15.00 C ATOM 2001 C GLN A 254 12.109 -0.018 35.055 1.00 11.51 C ATOM 2002 O GLN A 254 11.876 0.991 34.388 1.00 12.58 O ATOM 2003 CB GLN A 254 12.376 0.750 37.412 1.00 20.95 C ATOM 2004 CG GLN A 254 11.008 0.195 37.797 1.00 29.48 C ATOM 2005 CD GLN A 254 11.073 -0.820 38.921 1.00 34.30 C ATOM 2006 OE1 GLN A 254 12.277 -1.081 39.417 1.00 39.81 O flip ATOM 2007 NE2 GLN A 254 10.050 -1.359 39.345 1.00 38.44 N flip ATOM 0 H GLN A 254 14.084 1.590 35.580 1.00 14.59 H new ATOM 0 HA GLN A 254 13.320 -0.855 36.501 1.00 15.00 H new ATOM 0 HB2 GLN A 254 12.958 0.701 38.187 1.00 20.95 H new ATOM 0 HB3 GLN A 254 12.277 1.689 37.191 1.00 20.95 H new ATOM 0 HG2 GLN A 254 10.431 0.928 38.063 1.00 29.48 H new ATOM 0 HG3 GLN A 254 10.602 -0.218 37.019 1.00 29.48 H new ATOM 0 HE21 GLN A 254 9.287 -1.165 38.999 1.00 38.44 H new ATOM 0 HE22 GLN A 254 10.099 -1.929 39.987 1.00 38.44 H new ATOM 2008 N ILE A 255 11.570 -1.200 34.782 1.00 8.59 N ATOM 2009 CA ILE A 255 10.609 -1.345 33.696 1.00 9.15 C ATOM 2010 C ILE A 255 9.217 -1.346 34.327 1.00 7.99 C ATOM 2011 O ILE A 255 8.949 -2.103 35.264 1.00 9.63 O ATOM 2012 CB ILE A 255 10.818 -2.658 32.915 1.00 8.54 C ATOM 2013 CG1 ILE A 255 12.232 -2.690 32.322 1.00 9.06 C ATOM 2014 CG2 ILE A 255 9.787 -2.764 31.794 1.00 10.52 C ATOM 2015 CD1 ILE A 255 12.553 -3.964 31.554 1.00 15.83 C ATOM 0 H ILE A 255 11.745 -1.925 35.210 1.00 8.59 H new ATOM 0 HA ILE A 255 10.721 -0.617 33.065 1.00 9.15 H new ATOM 0 HB ILE A 255 10.709 -3.408 33.520 1.00 8.54 H new ATOM 0 HG12 ILE A 255 12.341 -1.930 31.729 1.00 9.06 H new ATOM 0 HG13 ILE A 255 12.876 -2.585 33.040 1.00 9.06 H new ATOM 0 HG21 ILE A 255 9.923 -3.591 31.306 1.00 10.52 H new ATOM 0 HG22 ILE A 255 8.894 -2.756 32.173 1.00 10.52 H new ATOM 0 HG23 ILE A 255 9.888 -2.012 31.189 1.00 10.52 H new ATOM 0 HD11 ILE A 255 13.458 -3.915 31.209 1.00 15.83 H new ATOM 0 HD12 ILE A 255 12.474 -4.728 32.147 1.00 15.83 H new ATOM 0 HD13 ILE A 255 11.931 -4.063 30.816 1.00 15.83 H new ATOM 2016 N LYS A 256 8.344 -0.476 33.831 1.00 8.65 N ATOM 2017 CA LYS A 256 6.987 -0.369 34.357 1.00 9.33 C ATOM 2018 C LYS A 256 5.993 -1.021 33.408 1.00 7.92 C ATOM 2019 O LYS A 256 6.159 -0.965 32.192 1.00 9.07 O ATOM 2020 CB LYS A 256 6.618 1.103 34.560 1.00 11.38 C ATOM 2021 CG LYS A 256 7.507 1.827 35.559 1.00 17.37 C ATOM 2022 CD LYS A 256 7.176 3.311 35.624 1.00 25.68 C ATOM 2023 CE LYS A 256 8.032 4.016 36.667 1.00 27.76 C ATOM 2024 NZ LYS A 256 7.849 3.413 38.018 1.00 30.69 N ATOM 0 H LYS A 256 8.519 0.065 33.186 1.00 8.65 H new ATOM 0 HA LYS A 256 6.952 -0.829 35.210 1.00 9.33 H new ATOM 0 HB2 LYS A 256 6.666 1.560 33.706 1.00 11.38 H new ATOM 0 HB3 LYS A 256 5.697 1.158 34.860 1.00 11.38 H new ATOM 0 HG2 LYS A 256 7.398 1.431 36.438 1.00 17.37 H new ATOM 0 HG3 LYS A 256 8.437 1.712 35.309 1.00 17.37 H new ATOM 0 HD2 LYS A 256 7.320 3.716 34.755 1.00 25.68 H new ATOM 0 HD3 LYS A 256 6.237 3.427 35.839 1.00 25.68 H new ATOM 0 HE2 LYS A 256 8.966 3.963 36.411 1.00 27.76 H new ATOM 0 HE3 LYS A 256 7.799 4.957 36.697 1.00 27.76 H new ATOM 0 HZ1 LYS A 256 7.799 4.060 38.628 1.00 30.69 H new ATOM 0 HZ2 LYS A 256 7.098 2.935 38.031 1.00 30.69 H new ATOM 0 HZ3 LYS A 256 8.540 2.884 38.203 1.00 30.69 H new ATOM 2025 N ALA A 257 4.964 -1.651 33.966 1.00 9.05 N ATOM 2026 CA ALA A 257 3.946 -2.306 33.151 1.00 9.35 C ATOM 2027 C ALA A 257 2.618 -1.573 33.292 1.00 9.41 C ATOM 2028 O ALA A 257 2.300 -1.059 34.368 1.00 7.56 O ATOM 2029 CB ALA A 257 3.791 -3.760 33.576 1.00 9.69 C ATOM 0 H ALA A 257 4.837 -1.711 34.814 1.00 9.05 H new ATOM 0 HA ALA A 257 4.222 -2.281 32.221 1.00 9.35 H new ATOM 0 HB1 ALA A 257 3.113 -4.187 33.029 1.00 9.69 H new ATOM 0 HB2 ALA A 257 4.636 -4.223 33.462 1.00 9.69 H new ATOM 0 HB3 ALA A 257 3.525 -3.798 34.508 1.00 9.69 H new ATOM 2030 N SER A 258 1.848 -1.523 32.206 1.00 8.35 N ATOM 2031 CA SER A 258 0.553 -0.840 32.212 1.00 9.32 C ATOM 2032 C SER A 258 -0.565 -1.787 32.629 1.00 10.67 C ATOM 2033 O SER A 258 -1.728 -1.385 32.720 1.00 11.08 O ATOM 2034 CB SER A 258 0.228 -0.297 30.816 1.00 10.68 C ATOM 2035 OG SER A 258 -0.145 -1.351 29.937 1.00 7.86 O ATOM 0 H SER A 258 2.058 -1.880 31.452 1.00 8.35 H new ATOM 0 HA SER A 258 0.614 -0.111 32.849 1.00 9.32 H new ATOM 0 HB2 SER A 258 -0.492 0.350 30.876 1.00 10.68 H new ATOM 0 HB3 SER A 258 0.999 0.170 30.459 1.00 10.68 H new ATOM 0 HG SER A 258 -0.450 -1.027 29.224 1.00 7.86 H new ATOM 2036 N PHE A 259 -0.206 -3.042 32.883 1.00 8.44 N ATOM 2037 CA PHE A 259 -1.173 -4.071 33.258 1.00 11.43 C ATOM 2038 C PHE A 259 -0.618 -4.992 34.345 1.00 12.36 C ATOM 2039 O PHE A 259 0.585 -5.007 34.608 1.00 11.51 O ATOM 2040 CB PHE A 259 -1.502 -4.927 32.035 1.00 8.89 C ATOM 2041 CG PHE A 259 -0.304 -5.646 31.473 1.00 11.39 C ATOM 2042 CD1 PHE A 259 0.660 -4.954 30.741 1.00 10.74 C ATOM 2043 CD2 PHE A 259 -0.103 -6.996 31.734 1.00 10.66 C ATOM 2044 CE1 PHE A 259 1.809 -5.597 30.281 1.00 10.70 C ATOM 2045 CE2 PHE A 259 1.042 -7.648 31.280 1.00 16.95 C ATOM 2046 CZ PHE A 259 2.002 -6.945 30.552 1.00 14.89 C ATOM 0 H PHE A 259 0.606 -3.322 32.843 1.00 8.44 H new ATOM 0 HA PHE A 259 -1.964 -3.623 33.596 1.00 11.43 H new ATOM 0 HB2 PHE A 259 -2.179 -5.579 32.276 1.00 8.89 H new ATOM 0 HB3 PHE A 259 -1.885 -4.362 31.346 1.00 8.89 H new ATOM 0 HD1 PHE A 259 0.535 -4.051 30.557 1.00 10.74 H new ATOM 0 HD2 PHE A 259 -0.740 -7.470 32.218 1.00 10.66 H new ATOM 0 HE1 PHE A 259 2.444 -5.124 29.794 1.00 10.70 H new ATOM 0 HE2 PHE A 259 1.166 -8.551 31.462 1.00 16.95 H new ATOM 0 HZ PHE A 259 2.768 -7.377 30.250 1.00 14.89 H new ATOM 2047 N LYS A 260 -1.499 -5.776 34.956 1.00 14.53 N ATOM 2048 CA LYS A 260 -1.082 -6.718 35.991 1.00 18.28 C ATOM 2049 C LYS A 260 -0.914 -8.107 35.379 1.00 19.40 C ATOM 2050 O LYS A 260 -1.377 -8.320 34.239 1.00 12.28 O ATOM 2051 CB LYS A 260 -2.120 -6.771 37.116 1.00 19.66 C ATOM 2052 CG LYS A 260 -2.262 -5.476 37.895 1.00 24.61 C ATOM 2053 CD LYS A 260 -3.347 -5.587 38.955 1.00 28.00 C ATOM 2054 CE LYS A 260 -3.514 -4.280 39.717 1.00 29.71 C ATOM 2055 NZ LYS A 260 -4.629 -4.340 40.710 1.00 32.91 N ATOM 2056 OXT LYS A 260 -0.315 -8.955 36.067 1.00 12.28 O ATOM 0 H LYS A 260 -2.342 -5.779 34.787 1.00 14.53 H new ATOM 0 HA LYS A 260 -0.236 -6.422 36.363 1.00 18.28 H new ATOM 0 HB2 LYS A 260 -2.982 -7.004 36.736 1.00 19.66 H new ATOM 0 HB3 LYS A 260 -1.879 -7.482 37.731 1.00 19.66 H new ATOM 0 HG2 LYS A 260 -1.417 -5.255 38.316 1.00 24.61 H new ATOM 0 HG3 LYS A 260 -2.474 -4.751 37.286 1.00 24.61 H new ATOM 0 HD2 LYS A 260 -4.188 -5.829 38.536 1.00 28.00 H new ATOM 0 HD3 LYS A 260 -3.124 -6.299 39.575 1.00 28.00 H new ATOM 0 HE2 LYS A 260 -2.686 -4.068 40.176 1.00 29.71 H new ATOM 0 HE3 LYS A 260 -3.682 -3.561 39.088 1.00 29.71 H new ATOM 0 HZ1 LYS A 260 -4.693 -3.559 41.132 1.00 32.91 H new ATOM 0 HZ2 LYS A 260 -5.394 -4.512 40.288 1.00 32.91 H new ATOM 0 HZ3 LYS A 260 -4.466 -4.984 41.302 1.00 32.91 H new TER 2057 LYS A 260 HETATM 2058 ZN ZN A 261 14.586 0.222 15.287 1.00 6.88 ZN HETATM 2059 CL R21 A 300 16.075 14.020 10.557 1.00 37.74 CL HETATM 2060 OAA R21 A 300 13.920 2.794 16.734 1.00 7.40 O HETATM 2061 OAB R21 A 300 17.632 16.205 11.785 1.00 33.12 O HETATM 2062 CAC R21 A 300 18.221 14.984 11.895 1.00 31.16 C HETATM 2063 CAD R21 A 300 19.446 14.861 12.540 1.00 31.30 C HETATM 2064 CAE R21 A 300 20.059 13.617 12.637 1.00 28.16 C HETATM 2065 OAF R21 A 300 19.943 10.669 14.499 1.00 22.69 O HETATM 2066 CAG R21 A 300 15.648 6.228 14.704 1.00 7.26 C HETATM 2067 CAH R21 A 300 15.172 5.182 15.486 1.00 9.51 C HETATM 2068 CAI R21 A 300 16.028 4.156 15.871 1.00 4.95 C HETATM 2069 SAJ R21 A 300 15.418 2.809 16.807 1.00 4.95 S HETATM 2070 NAK R21 A 300 16.017 1.418 16.205 1.00 6.65 N HETATM 2071 CAL R21 A 300 17.605 13.862 11.350 1.00 31.81 C HETATM 2072 CAM R21 A 300 18.219 12.618 11.447 1.00 29.06 C HETATM 2073 CAN R21 A 300 19.447 12.496 12.088 1.00 27.90 C HETATM 2074 CAO R21 A 300 20.155 11.140 12.145 1.00 24.95 C HETATM 2075 CAP R21 A 300 19.670 10.329 13.348 1.00 26.24 C HETATM 2076 NAQ R21 A 300 18.954 9.252 13.037 1.00 22.84 N HETATM 2077 CAR R21 A 300 18.406 8.338 14.051 1.00 19.85 C HETATM 2078 CAS R21 A 300 17.478 7.340 13.355 1.00 11.90 C HETATM 2079 CAT R21 A 300 16.979 6.248 14.304 1.00 8.45 C HETATM 2080 CAU R21 A 300 17.838 5.228 14.698 1.00 6.55 C HETATM 2081 CAV R21 A 300 17.362 4.183 15.481 1.00 4.95 C HETATM 2082 OAW R21 A 300 15.855 2.955 18.235 1.00 6.59 O HETATM 0 HNAQ R21 A 300 18.805 9.083 12.207 1.00 22.84 H new HETATM 0 HNAA R21 A 300 16.867 1.289 16.184 1.00 6.65 H new HETATM 0 HASA R21 A 300 16.718 7.814 12.983 1.00 11.90 H new HETATM 0 HARA R21 A 300 19.124 7.870 14.506 1.00 19.85 H new HETATM 0 HAOA R21 A 300 19.986 10.647 11.327 1.00 24.95 H new HETATM 0 HAV R21 A 300 17.961 3.472 15.756 1.00 4.95 H new HETATM 0 HAU R21 A 300 18.769 5.246 14.426 1.00 6.55 H new HETATM 0 HAS R21 A 300 17.947 6.930 12.612 1.00 11.90 H new HETATM 0 HAR R21 A 300 17.919 8.836 14.726 1.00 19.85 H new HETATM 0 HAO R21 A 300 21.114 11.273 12.204 1.00 24.95 H new HETATM 0 HAM R21 A 300 17.790 11.835 11.067 1.00 29.06 H new HETATM 0 HAH R21 A 300 14.243 5.168 15.763 1.00 9.51 H new HETATM 0 HAG R21 A 300 15.051 6.944 14.437 1.00 7.26 H new HETATM 0 HAE R21 A 300 20.914 13.531 13.088 1.00 28.16 H new HETATM 0 HAD R21 A 300 19.873 15.643 12.923 1.00 31.30 H new HETATM 2083 C1 GOL A 301 23.766 -9.751 12.991 1.00 18.45 C HETATM 2084 O1 GOL A 301 24.335 -11.056 13.132 1.00 33.47 O HETATM 2085 C2 GOL A 301 23.747 -9.046 14.348 1.00 23.62 C HETATM 2086 O2 GOL A 301 25.084 -8.896 14.832 1.00 28.06 O HETATM 2087 C3 GOL A 301 22.926 -9.870 15.342 1.00 20.96 C HETATM 2088 O3 GOL A 301 22.947 -9.230 16.621 1.00 19.76 O HETATM 0 HO3 GOL A 301 22.456 -8.548 16.602 1.00 19.76 H new HETATM 0 HO2 GOL A 301 25.073 -8.830 15.669 1.00 28.06 H new HETATM 0 HO1 GOL A 301 24.858 -11.064 13.789 1.00 33.47 H new HETATM 0 H32 GOL A 301 22.012 -9.958 15.028 1.00 20.96 H new HETATM 0 H31 GOL A 301 23.289 -10.767 15.412 1.00 20.96 H new HETATM 0 H2 GOL A 301 23.344 -8.169 14.249 1.00 23.62 H new HETATM 0 H12 GOL A 301 24.281 -9.231 12.354 1.00 18.45 H new HETATM 0 H11 GOL A 301 22.865 -9.818 12.639 1.00 18.45 H new HETATM 2089 C1 GOL A 302 3.407 -6.294 36.528 1.00 19.09 C HETATM 2090 O1 GOL A 302 2.764 -6.703 35.317 1.00 16.55 O HETATM 2091 C2 GOL A 302 2.974 -7.212 37.673 1.00 20.05 C HETATM 2092 O2 GOL A 302 1.563 -7.095 37.875 1.00 22.70 O HETATM 2093 C3 GOL A 302 3.712 -6.827 38.958 1.00 18.62 C HETATM 2094 O3 GOL A 302 3.388 -5.484 39.329 1.00 20.28 O HETATM 0 HO3 GOL A 302 2.590 -5.321 39.123 1.00 20.28 H new HETATM 0 HO2 GOL A 302 1.327 -7.600 38.503 1.00 22.70 H new HETATM 0 HO1 GOL A 302 2.130 -6.180 35.146 1.00 16.55 H new HETATM 0 H32 GOL A 302 3.469 -7.435 39.673 1.00 18.62 H new HETATM 0 H31 GOL A 302 4.669 -6.912 38.827 1.00 18.62 H new HETATM 0 H2 GOL A 302 3.192 -8.129 37.445 1.00 20.05 H new HETATM 0 H12 GOL A 302 4.370 -6.327 36.421 1.00 19.09 H new HETATM 0 H11 GOL A 302 3.176 -5.374 36.733 1.00 19.09 H new HETATM 2095 C1 GOL A 303 17.016 1.408 11.797 1.00 8.56 C HETATM 2096 O1 GOL A 303 18.310 1.299 11.199 1.00 7.79 O HETATM 2097 C2 GOL A 303 16.229 2.531 11.118 1.00 7.81 C HETATM 2098 O2 GOL A 303 16.099 2.248 9.723 1.00 7.63 O HETATM 2099 C3 GOL A 303 16.962 3.862 11.297 1.00 10.63 C HETATM 2100 O3 GOL A 303 16.205 4.904 10.676 1.00 12.33 O HETATM 0 HO3 GOL A 303 16.708 5.557 10.514 1.00 12.33 H new HETATM 0 HO2 GOL A 303 15.356 2.527 9.448 1.00 7.63 H new HETATM 0 HO1 GOL A 303 18.253 1.459 10.376 1.00 7.79 H new HETATM 0 H32 GOL A 303 17.082 4.053 12.240 1.00 10.63 H new HETATM 0 H31 GOL A 303 17.847 3.812 10.903 1.00 10.63 H new HETATM 0 H2 GOL A 303 15.350 2.591 11.523 1.00 7.81 H new HETATM 0 H12 GOL A 303 16.538 0.568 11.711 1.00 8.56 H new HETATM 0 H11 GOL A 303 17.102 1.589 12.746 1.00 8.56 H new HETATM 2101 O HOH A 262 19.280 -10.528 22.982 1.00 6.02 O HETATM 2102 O HOH A 263 20.080 -2.350 15.817 1.00 4.95 O HETATM 2103 O HOH A 264 4.165 -6.608 20.644 1.00 6.28 O HETATM 2104 O HOH A 265 17.727 -13.885 24.640 1.00 8.19 O HETATM 2105 O HOH A 266 17.979 -11.354 25.316 1.00 7.59 O HETATM 2106 O HOH A 267 -0.329 -5.375 23.854 1.00 9.14 O HETATM 2107 O HOH A 268 19.820 11.152 28.243 1.00 9.95 O HETATM 2108 O HOH A 269 -0.878 7.476 4.887 1.00 10.63 O HETATM 2109 O HOH A 270 26.316 -3.165 21.095 1.00 7.11 O HETATM 2110 O HOH A 271 12.511 -2.035 7.997 1.00 9.57 O HETATM 2111 O HOH A 272 16.846 -11.600 18.281 1.00 6.79 O HETATM 2112 O HOH A 273 13.947 -6.713 32.782 1.00 10.47 O HETATM 2113 O HOH A 274 18.926 -1.390 11.513 1.00 9.29 O HETATM 2114 O HOH A 275 10.356 -13.327 34.410 1.00 12.49 O HETATM 2115 O HOH A 276 1.201 -14.999 3.135 1.00 16.52 O HETATM 2116 O HOH A 277 29.031 8.021 21.550 1.00 11.08 O HETATM 2117 O HOH A 278 26.792 9.040 20.105 1.00 11.04 O HETATM 2118 O HOH A 279 18.933 10.296 30.970 1.00 13.73 O HETATM 2119 O HOH A 280 25.414 7.340 29.419 1.00 13.91 O HETATM 2120 O HOH A 281 17.762 -9.287 21.066 1.00 10.30 O HETATM 2121 O HOH A 282 4.957 -7.745 33.459 1.00 11.01 O HETATM 2122 O HOH A 283 14.704 8.578 10.614 1.00 16.03 O HETATM 2123 O HOH A 284 25.533 -1.405 26.629 1.00 12.55 O HETATM 2124 O HOH A 285 29.985 -1.973 21.207 1.00 10.59 O HETATM 2125 O HOH A 286 7.422 12.209 28.067 1.00 10.99 O HETATM 2126 O HOH A 287 18.852 -6.870 29.478 1.00 9.04 O HETATM 2127 O HOH A 288 9.332 4.763 30.971 1.00 13.10 O HETATM 2128 O HOH A 289 0.826 12.761 26.577 1.00 11.77 O HETATM 2129 O HOH A 290 21.244 0.845 -4.770 1.00 13.54 O HETATM 2130 O HOH A 291 3.111 12.421 11.366 1.00 15.18 O HETATM 2131 O HOH A 292 22.445 10.870 24.243 1.00 13.57 O HETATM 2132 O HOH A 293 6.954 -14.782 29.103 1.00 16.56 O HETATM 2133 O HOH A 294 10.588 10.637 25.669 1.00 14.25 O HETATM 2134 O HOH A 295 1.809 11.918 8.962 1.00 10.03 O HETATM 2135 O HOH A 296 3.270 -18.719 8.283 1.00 12.79 O HETATM 2136 O HOH A 297 -1.314 3.114 30.297 1.00 17.67 O HETATM 2137 O HOH A 298 -0.164 9.656 1.960 1.00 13.88 O HETATM 2138 O HOH A 299 -2.792 0.817 4.030 1.00 12.29 O HETATM 2139 O HOH A 304 13.245 -13.793 11.499 1.00 7.55 O HETATM 2140 O HOH A 305 19.096 -2.656 -7.074 1.00 22.35 O HETATM 2141 O HOH A 306 21.870 3.046 34.499 1.00 13.36 O HETATM 2142 O HOH A 307 12.187 -3.681 36.151 1.00 15.39 O HETATM 2143 O HOH A 308 15.076 -2.641 -6.407 1.00 16.57 O HETATM 2144 O HOH A 309 6.019 -8.486 37.320 1.00 11.24 O HETATM 2145 O HOH A 310 -4.663 11.745 13.548 1.00 24.84 O HETATM 2146 O HOH A 311 -2.098 2.544 34.924 1.00 18.95 O HETATM 2147 O HOH A 312 31.956 -9.146 16.219 1.00 24.62 O HETATM 2148 O HOH A 313 20.955 -12.514 22.460 1.00 13.77 O HETATM 2149 O HOH A 314 14.358 -12.890 31.906 1.00 12.92 O HETATM 2150 O HOH A 315 -2.174 -9.932 14.627 1.00 20.92 O HETATM 2151 O HOH A 316 -2.210 -1.254 6.938 1.00 16.31 O HETATM 2152 O HOH A 317 14.262 7.782 6.486 1.00 15.88 O HETATM 2153 O HOH A 318 8.354 -15.119 26.929 1.00 15.11 O HETATM 2154 O HOH A 319 11.593 17.171 12.099 1.00 17.59 O HETATM 2155 O HOH A 320 12.033 -13.492 36.908 1.00 15.99 O HETATM 2156 O HOH A 321 25.776 -5.058 7.885 1.00 22.75 O HETATM 2157 O HOH A 322 22.551 0.578 29.523 1.00 14.55 O HETATM 2158 O HOH A 323 -3.793 -6.185 9.258 1.00 21.96 O HETATM 2159 O HOH A 324 10.561 10.358 7.823 1.00 15.54 O HETATM 2160 O HOH A 325 17.206 6.601 7.072 1.00 17.08 O HETATM 2161 O HOH A 326 13.770 -17.362 22.096 1.00 16.90 O HETATM 2162 O HOH A 327 0.595 15.573 28.751 1.00 20.01 O HETATM 2163 O HOH A 328 8.444 5.387 -6.897 1.00 20.41 O HETATM 2164 O HOH A 329 16.569 -9.964 32.443 1.00 14.41 O HETATM 2165 O HOH A 330 1.239 -1.906 41.502 1.00 19.69 O HETATM 2166 O HOH A 331 -5.295 4.593 21.170 1.00 25.68 O HETATM 2167 O HOH A 332 6.543 -16.742 19.029 1.00 19.28 O HETATM 2168 O HOH A 333 12.152 2.297 -6.717 1.00 23.27 O HETATM 2169 O HOH A 334 23.809 -2.509 8.100 1.00 24.66 O HETATM 2170 O HOH A 335 16.715 -14.381 1.438 1.00 23.21 O HETATM 2171 O HOH A 336 8.429 9.831 28.772 1.00 20.13 O HETATM 2172 O HOH A 337 14.090 -15.249 1.709 1.00 15.87 O HETATM 2173 O HOH A 338 8.681 14.472 29.368 1.00 18.68 O HETATM 2174 O HOH A 339 32.964 1.412 15.833 1.00 18.24 O HETATM 2175 O HOH A 340 2.650 -1.023 45.259 1.00 21.81 O HETATM 2176 O HOH A 341 7.288 16.386 27.335 1.00 21.78 O HETATM 2177 O HOH A 342 14.192 23.182 19.817 1.00 19.71 O HETATM 2178 O HOH A 343 -1.445 -4.092 3.083 1.00 18.22 O HETATM 2179 O HOH A 344 3.181 -4.902 42.282 1.00 13.80 O HETATM 2180 O HOH A 345 24.397 2.955 35.345 1.00 22.96 O HETATM 2181 O HOH A 346 17.638 6.762 9.767 1.00 21.24 O HETATM 2182 O HOH A 347 23.894 -11.081 5.269 1.00 19.05 O HETATM 2183 O HOH A 348 10.191 3.034 33.756 1.00 23.21 O HETATM 2184 O HOH A 349 -0.724 -11.251 35.881 1.00 25.86 O HETATM 2185 O HOH A 350 7.940 -20.828 11.925 1.00 30.24 O HETATM 2186 O HOH A 351 11.888 -8.436 -1.119 1.00 19.08 O HETATM 2187 O HOH A 352 -2.138 -11.704 11.435 1.00 19.98 O HETATM 2188 O HOH A 353 26.983 2.562 8.360 1.00 20.77 O HETATM 2189 O HOH A 354 8.337 -16.373 32.297 1.00 26.15 O HETATM 2190 O HOH A 355 2.402 -19.880 5.759 1.00 18.46 O HETATM 2191 O HOH A 356 22.570 -9.934 25.095 1.00 18.87 O HETATM 2192 O HOH A 357 20.888 -6.614 33.062 1.00 20.45 O HETATM 2193 O HOH A 358 13.238 -20.401 10.496 1.00 20.04 O HETATM 2194 O HOH A 359 32.523 -5.136 22.566 1.00 22.64 O HETATM 2195 O HOH A 360 7.834 -16.743 15.106 1.00 20.97 O HETATM 2196 O HOH A 361 -4.295 6.024 4.112 1.00 25.90 O HETATM 2197 O HOH A 362 23.574 -9.651 9.427 1.00 20.14 O HETATM 2198 O HOH A 363 22.759 -5.102 -7.725 1.00 28.20 O HETATM 2199 O HOH A 364 11.018 -16.348 17.386 1.00 18.78 O HETATM 2200 O HOH A 365 28.857 -6.031 -0.663 1.00 35.48 O HETATM 2201 O HOH A 366 -2.884 10.500 20.583 1.00 26.82 O HETATM 2202 O HOH A 367 9.268 11.240 3.035 1.00 18.98 O HETATM 2203 O HOH A 368 14.504 -3.310 37.890 1.00 20.32 O HETATM 2204 O HOH A 369 -7.067 6.072 24.356 1.00 29.93 O HETATM 2205 O HOH A 370 21.259 6.064 37.026 1.00 24.25 O HETATM 2206 O HOH A 371 20.088 -15.890 17.965 1.00 28.35 O HETATM 2207 O HOH A 372 7.664 22.115 15.007 1.00 27.21 O HETATM 2208 O HOH A 373 14.101 3.811 35.293 1.00 16.41 O HETATM 2209 O HOH A 374 21.120 9.096 31.591 1.00 23.36 O HETATM 2210 O HOH A 375 17.179 9.129 10.733 1.00 29.83 O HETATM 2211 O HOH A 376 20.187 3.299 11.656 1.00 11.47 O HETATM 2212 O HOH A 377 20.592 5.480 10.172 1.00 20.97 O HETATM 2213 O HOH A 378 24.534 6.186 10.887 1.00 26.78 O HETATM 2214 O HOH A 379 25.547 8.153 13.212 1.00 28.96 O HETATM 2215 O HOH A 380 20.942 15.779 16.263 1.00 20.78 O HETATM 2216 O HOH A 381 21.850 12.354 15.233 1.00 30.50 O HETATM 2217 O HOH A 382 14.757 10.999 8.947 1.00 31.67 O HETATM 2218 O HOH A 383 13.014 9.100 8.427 1.00 28.64 O HETATM 2219 O HOH A 384 24.939 11.916 23.799 1.00 20.86 O HETATM 2220 O HOH A 385 26.817 10.963 21.802 1.00 23.44 O HETATM 2221 O HOH A 386 22.399 15.974 24.554 1.00 29.32 O HETATM 2222 O HOH A 387 28.019 10.109 17.835 1.00 25.02 O HETATM 2223 O HOH A 388 19.927 13.403 26.608 1.00 26.73 O HETATM 2224 O HOH A 389 20.822 12.653 23.652 1.00 29.67 O HETATM 2225 O HOH A 390 16.061 17.699 12.359 1.00 28.50 O HETATM 2226 O HOH A 391 19.489 18.336 12.426 1.00 29.11 O HETATM 2227 O HOH A 392 13.369 13.926 8.138 1.00 29.78 O CONECT 732 2058 CONECT 753 2058 CONECT 930 2058 CONECT 2058 732 753 930 2070 CONECT 2059 2071 CONECT 2060 2069 CONECT 2061 2062 CONECT 2062 2061 2063 2071 CONECT 2063 2062 2064 CONECT 2064 2063 2073 CONECT 2065 2075 CONECT 2066 2067 2079 CONECT 2067 2066 2068 CONECT 2068 2067 2069 2081 CONECT 2069 2060 2068 2070 2082 CONECT 2070 2058 2069 CONECT 2071 2059 2062 2072 CONECT 2072 2071 2073 CONECT 2073 2064 2072 2074 CONECT 2074 2073 2075 CONECT 2075 2065 2074 2076 CONECT 2076 2075 2077 CONECT 2077 2076 2078 CONECT 2078 2077 2079 CONECT 2079 2066 2078 2080 CONECT 2080 2079 2081 CONECT 2081 2068 2080 CONECT 2082 2069 CONECT 2083 2084 2085 CONECT 2084 2083 CONECT 2085 2083 2086 2087 CONECT 2086 2085 CONECT 2087 2085 2088 CONECT 2088 2087 CONECT 2089 2090 2091 CONECT 2090 2089 CONECT 2091 2089 2092 2093 CONECT 2092 2091 CONECT 2093 2091 2094 CONECT 2094 2093 CONECT 2095 2096 2097 CONECT 2096 2095 CONECT 2097 2095 2098 2099 CONECT 2098 2097 CONECT 2099 2097 2100 CONECT 2100 2099 END