USER MOD reduce.3.24.130724 H: found=0, std=0, add=2374, rem=0, adj=69 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 05-APR-19 6RA7 TITLE HUMAN TNIK IN COMPLEX WITH COMPOUND 9 COMPND MOL_ID: 1; COMPND 2 MOLECULE: TRAF2 AND NCK-INTERACTING PROTEIN KINASE; COMPND 3 CHAIN: A; COMPND 4 EC: 2.7.11.1; COMPND 5 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: TNIK, KIAA0551; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS KINASE, INHIBITOR, COMPLEX, TNIK, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR J.A.READ REVDAT 1 06-NOV-19 6RA7 0 JRNL AUTH J.A.READ JRNL TITL TOOL INHIBITORS AND ASSAYS TO INTERROGATE THE BIOLOGY OF THE JRNL TITL 2 TRAF2 AND NCK INTERACTING KINASE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.20 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER-TNT REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SMART,VONRHEIN,WOMACK, REMARK 3 : MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.20 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 128.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 89.9 REMARK 3 NUMBER OF REFLECTIONS : 400672 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : FREE R-VALUE REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : NULL REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : NULL REMARK 3 BIN R VALUE (WORKING + TEST SET) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2349 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 27 REMARK 3 SOLVENT ATOMS : 351 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : NULL REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : NULL REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : NULL REMARK 3 REMARK 3 REFERENCES: BLOW, D. (2002) ACTA CRYST D58, 792-797 REMARK 3 CRUICKSHANK, D.W.J. (1999) ACTA CRYST D55, 583-601 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : NULL REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : NULL REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : NULL ; NULL ; NULL REMARK 3 BOND ANGLES : NULL ; NULL ; NULL REMARK 3 TORSION ANGLES : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES : NULL ; NULL ; NULL REMARK 3 GENERAL PLANES : NULL ; NULL ; NULL REMARK 3 ISOTROPIC THERMAL FACTORS : NULL ; NULL ; NULL REMARK 3 BAD NON-BONDED CONTACTS : NULL ; NULL ; NULL REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : NULL ; NULL ; NULL REMARK 3 SUM OF OCCUPANCIES : NULL ; NULL ; NULL REMARK 3 UTILITY DISTANCES : NULL ; NULL ; NULL REMARK 3 UTILITY ANGLES : NULL ; NULL ; NULL REMARK 3 UTILITY TORSION : NULL ; NULL ; NULL REMARK 3 IDEAL-DIST CONTACT TERM : NULL ; NULL ; NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : NULL REMARK 3 OTHER TORSION ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 6RA7 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 05-APR-19. REMARK 100 THE DEPOSITION ID IS D_1292101684. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 21-FEB-19 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : DIAMOND REMARK 200 BEAMLINE : I03 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.976 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS3 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : AIMLESS REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 400672 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.200 REMARK 200 RESOLUTION RANGE LOW (A) : 128.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 72.4 REMARK 200 DATA REDUNDANCY : 2.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 13.3000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.20 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.30 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: AMORE REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 48.57 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.39 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG3350 W/V, 0.1M PCTP (PH 8.0), REMARK 280 200 MM SODIUM FORMATE W/V, VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 24.45800 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 63.96350 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 26.83350 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 63.96350 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 24.45800 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 26.83350 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 290 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 14010 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -7.0 KCAL/MOL 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 GLY A 9 REMARK 465 SER A 10 REMARK 465 ASP A 11 REMARK 465 GLU A 12 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 ILE A 13 CG1 CG2 CD1 REMARK 470 ASP A 14 CG OD1 OD2 REMARK 470 SER A 16 OG REMARK 470 ARG A 19 CG CD NE CZ NH1 NH2 REMARK 470 LYS A 46 CG CD CE NZ REMARK 470 ASP A 61 CG OD1 OD2 REMARK 470 GLU A 62 CG CD OE1 OE2 REMARK 470 GLU A 63 CG CD OE1 OE2 REMARK 470 GLU A 64 CG CD OE1 OE2 REMARK 470 GLU A 65 CG CD OE1 OE2 REMARK 470 LYS A 92 CG CD CE NZ REMARK 470 ASP A 179 CG OD1 OD2 REMARK 470 ARG A 180 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 204 CG CD OE1 OE2 REMARK 470 ASP A 235 CG OD1 OD2 REMARK 470 LYS A 256 CG CD CE NZ REMARK 470 LYS A 260 CE NZ REMARK 470 GLU A 267 CD OE1 OE2 REMARK 470 GLU A 281 CG CD OE1 OE2 REMARK 470 ARG A 296 CD NE CZ NH1 NH2 REMARK 470 LYS A 312 CG CD CE NZ REMARK 470 ARG A 313 CG CD NE CZ NH1 NH2 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 ASP A 153 51.58 -147.37 REMARK 500 ASP A 171 90.24 74.01 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 851 DISTANCE = 6.10 ANGSTROMS REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 402 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 77 O REMARK 620 2 HIS A 79 O 93.1 REMARK 620 3 ILE A 82 O 94.6 84.5 REMARK 620 4 ILE A 82 O 88.9 86.1 5.9 REMARK 620 5 THR A 84 OG1 92.8 164.3 109.5 108.5 REMARK 620 6 HOH A 505 O 164.0 102.9 86.6 91.8 71.8 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue EDO A 401 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue MG A 402 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue JWK A 403 DBREF 6RA7 A 11 314 UNP Q9UKE5 TNIK_HUMAN 11 314 SEQADV 6RA7 GLY A 9 UNP Q9UKE5 EXPRESSION TAG SEQADV 6RA7 SER A 10 UNP Q9UKE5 EXPRESSION TAG SEQRES 1 A 306 GLY SER ASP GLU ILE ASP LEU SER ALA LEU ARG ASP PRO SEQRES 2 A 306 ALA GLY ILE PHE GLU LEU VAL GLU LEU VAL GLY ASN GLY SEQRES 3 A 306 THR TYR GLY GLN VAL TYR LYS GLY ARG HIS VAL LYS THR SEQRES 4 A 306 GLY GLN LEU ALA ALA ILE LYS VAL MET ASP VAL THR GLY SEQRES 5 A 306 ASP GLU GLU GLU GLU ILE LYS GLN GLU ILE ASN MET LEU SEQRES 6 A 306 LYS LYS TYR SER HIS HIS ARG ASN ILE ALA THR TYR TYR SEQRES 7 A 306 GLY ALA PHE ILE LYS LYS ASN PRO PRO GLY MET ASP ASP SEQRES 8 A 306 GLN LEU TRP LEU VAL MET GLU PHE CYS GLY ALA GLY SER SEQRES 9 A 306 VAL THR ASP LEU ILE LYS ASN THR LYS GLY ASN THR LEU SEQRES 10 A 306 LYS GLU GLU TRP ILE ALA TYR ILE CYS ARG GLU ILE LEU SEQRES 11 A 306 ARG GLY LEU SER HIS LEU HIS GLN HIS LYS VAL ILE HIS SEQRES 12 A 306 ARG ASP ILE LYS GLY GLN ASN VAL LEU LEU THR GLU ASN SEQRES 13 A 306 ALA GLU VAL LYS LEU VAL ASP PHE GLY VAL SER ALA GLN SEQRES 14 A 306 LEU ASP ARG TPO VAL GLY ARG ARG ASN TPO PHE ILE GLY SEQRES 15 A 306 THR PRO TYR TRP MET ALA PRO GLU VAL ILE ALA CYS ASP SEQRES 16 A 306 GLU ASN PRO ASP ALA THR TYR ASP PHE LYS SER ASP LEU SEQRES 17 A 306 TRP SER LEU GLY ILE THR ALA ILE GLU MET ALA GLU GLY SEQRES 18 A 306 ALA PRO PRO LEU CYS ASP MET HIS PRO MET ARG ALA LEU SEQRES 19 A 306 PHE LEU ILE PRO ARG ASN PRO ALA PRO ARG LEU LYS SER SEQRES 20 A 306 LYS LYS TRP SER LYS LYS PHE GLN SER PHE ILE GLU SER SEQRES 21 A 306 CYS LEU VAL LYS ASN HIS SER GLN ARG PRO ALA THR GLU SEQRES 22 A 306 GLN LEU MET LYS HIS PRO PHE ILE ARG ASP GLN PRO ASN SEQRES 23 A 306 GLU ARG GLN VAL ARG ILE GLN LEU LYS ASP HIS ILE ASP SEQRES 24 A 306 ARG THR LYS LYS LYS ARG GLY MODRES 6RA7 TPO A 181 THR MODIFIED RESIDUE MODRES 6RA7 TPO A 187 THR MODIFIED RESIDUE HET TPO A 181 11 HET TPO A 187 11 HET EDO A 401 4 HET MG A 402 1 HET JWK A 403 22 HETNAM TPO PHOSPHOTHREONINE HETNAM EDO 1,2-ETHANEDIOL HETNAM MG MAGNESIUM ION HETNAM JWK 2-[8-AZANYL-2-(2-FLUORANYLPYRIDIN-4-YL)-1,7- HETNAM 2 JWK NAPHTHYRIDIN-5-YL]PROPAN-2-OL HETSYN TPO PHOSPHONOTHREONINE HETSYN EDO ETHYLENE GLYCOL FORMUL 1 TPO 2(C4 H10 N O6 P) FORMUL 2 EDO C2 H6 O2 FORMUL 3 MG MG 2+ FORMUL 4 JWK C16 H15 F N4 O FORMUL 5 HOH *351(H2 O) HELIX 1 AA1 ASP A 14 LEU A 18 5 5 HELIX 2 AA2 GLY A 32 THR A 35 5 4 HELIX 3 AA3 GLU A 62 SER A 77 1 16 HELIX 4 AA4 VAL A 113 ASN A 119 1 7 HELIX 5 AA5 THR A 120 THR A 124 5 5 HELIX 6 AA6 LYS A 126 HIS A 147 1 22 HELIX 7 AA7 LYS A 155 GLN A 157 5 3 HELIX 8 AA8 THR A 191 MET A 195 5 5 HELIX 9 AA9 ALA A 196 ALA A 201 1 6 HELIX 10 AB1 PHE A 212 GLY A 229 1 18 HELIX 11 AB2 HIS A 237 ILE A 245 1 9 HELIX 12 AB3 SER A 259 LEU A 270 1 12 HELIX 13 AB4 ASN A 273 ARG A 277 5 5 HELIX 14 AB5 ALA A 279 LYS A 285 1 7 HELIX 15 AB6 HIS A 286 ASP A 291 1 6 HELIX 16 AB7 ASN A 294 GLY A 314 1 21 SHEET 1 AA1 5 PHE A 25 LEU A 30 0 SHEET 2 AA1 5 VAL A 39 HIS A 44 -1 O LYS A 41 N VAL A 28 SHEET 3 AA1 5 LEU A 50 VAL A 58 -1 O ALA A 51 N GLY A 42 SHEET 4 AA1 5 ASP A 99 GLU A 106 -1 O LEU A 101 N MET A 56 SHEET 5 AA1 5 TYR A 85 LYS A 91 -1 N TYR A 86 O VAL A 104 SHEET 1 AA2 3 GLY A 111 SER A 112 0 SHEET 2 AA2 3 VAL A 159 LEU A 161 -1 O LEU A 161 N GLY A 111 SHEET 3 AA2 3 VAL A 167 LEU A 169 -1 O LYS A 168 N LEU A 160 SHEET 1 AA3 2 VAL A 149 ILE A 150 0 SHEET 2 AA3 2 ALA A 176 GLN A 177 -1 O ALA A 176 N ILE A 150 LINK O SER A 77 MG MG A 402 1555 1555 2.37 LINK O HIS A 79 MG MG A 402 1555 1555 2.34 LINK O AILE A 82 MG MG A 402 1555 1555 2.28 LINK O BILE A 82 MG MG A 402 1555 1555 2.19 LINK OG1 THR A 84 MG MG A 402 1555 1555 2.36 LINK C ARG A 180 N TPO A 181 1555 1555 1.35 LINK C TPO A 181 N VAL A 182 1555 1555 1.35 LINK C ASN A 186 N TPO A 187 1555 1555 1.35 LINK C TPO A 187 N PHE A 188 1555 1555 1.33 LINK MG MG A 402 O HOH A 505 1555 1555 2.43 SITE *** AC1 5 PHE A 188 ILE A 189 GLY A 190 MET A 195 SITE *** AC1 5 HOH A 554 SITE *** AC2 6 SER A 77 HIS A 78 HIS A 79 ILE A 82 SITE *** AC2 6 THR A 84 HOH A 505 SITE *** AC3 11 VAL A 31 TYR A 36 ALA A 52 LYS A 54 SITE *** AC3 11 MET A 105 GLU A 106 CYS A 108 LEU A 160 SITE *** AC3 11 ASP A 171 HOH A 613 HOH A 716 CRYST1 48.916 53.667 127.927 90.00 90.00 90.00 P 21 21 21 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.020443 0.000000 0.000000 0.00000 SCALE2 0.000000 0.018633 0.000000 0.00000 SCALE3 0.000000 0.000000 0.007817 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 181 TPO H2 : A 181 TPO N : A 180 ARG C :(H bumps) USER MOD NoAdj-H: A 187 TPO H2 : A 187 TPO N : A 186 ASN C :(H bumps) USER MOD Set 1.1: A 305 HIS : no HE2:sc= 1.79 K(o=2.2,f=-3.8!) USER MOD Set 1.2: A 309 THR OG1 : rot 81:sc= 0.372 USER MOD Set 2.1: A 264 SER OG : rot -165:sc= 0.659 USER MOD Set 2.2: A 286 HIS : no HD1:sc= 1.26 K(o=1.9,f=-9.3!) USER MOD Set 3.1: A 237 HIS : no HD1:sc= 0.369 K(o=0.37,f=-5.1!) USER MOD Set 3.2: A 239 MET CE B:methyl -175:sc= 0 (180deg=-0.033) USER MOD Set 4.1: A 68 GLN : amide:sc= 1.4 K(o=2.8,f=0.46) USER MOD Set 4.2: A 175 SER OG : rot -78:sc= 1.37 USER MOD Set 5.1: A 155 LYS NZ :NH3+ -173:sc= 1.97 (180deg=1.3) USER MOD Set 5.2: A 191 THR OG1 : rot 88:sc= 1.89 USER MOD Set 6.1: A 142 SER OG : rot 180:sc= 0.148 USER MOD Set 6.2: A 146 GLN : amide:sc= 0.156 X(o=0.3,f=0.32) USER MOD Set 7.1: A 134 CYS SG : rot 180:sc= 0 USER MOD Set 7.2: A 226 MET CE :methyl -125:sc= -0.0861 (180deg=-0.297) USER MOD Set 8.1: A 79 HIS : no HD1:sc= 1.21 K(o=2.9,f=-3.7!) USER MOD Set 8.2: A 81 ASN : amide:sc= 1.67 K(o=2.9,f=-0.29) USER MOD Set 9.1: A 72 MET CE :methyl 155:sc= -0.149 (180deg=-0.65) USER MOD Set 9.2: A 76 TYR OH : rot -162:sc= 0.64 USER MOD Set 9.3: A 177 GLN : amide:sc= 1.07 K(o=1.6,f=0.084) USER MOD Set10.1: A 49 GLN : amide:sc= 0.146 X(o=2.4,f=2.4) USER MOD Set10.2: A 86 TYR OH : rot -8:sc= 2.29 USER MOD Set11.1: A 38 GLN : amide:sc= 3.02 K(o=5.5,f=2.5) USER MOD Set11.2: A 40 TYR OH : rot 0:sc= 2.5 USER MOD Single : A 33 ASN : amide:sc= -0.751 X(o=-0.75,f=-1) USER MOD Single : A 35 THR OG1 : rot 91:sc= 1.3 USER MOD Single : A 36 TYR OH : rot 5:sc= 2.53 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= 0.112 K(o=0.11,f=-2.1) USER MOD Single : A 47 THR OG1 : rot -153:sc= 1.21 USER MOD Single : A 54 LYS NZ :NH3+ -123:sc= -0.636 (180deg=-2.53!) USER MOD Single : A 56 MET CE :methyl 167:sc= -0.0125 (180deg=-0.0987) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 0.0157 (180deg=0.0145) USER MOD Single : A 71 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot -77:sc= 1.8 USER MOD Single : A 78 HIS : no HD1:sc= 2.1 K(o=2.1,f=-5.2!) USER MOD Single : A 84 THR OG1 : rot 172:sc= 2.14 USER MOD Single : A 85 TYR OH : rot -177:sc= 0.87 USER MOD Single : A 91 LYS NZ :NH3+ -174:sc= 1.36 (180deg=1.32) USER MOD Single : A 93 ASN : amide:sc= 1.98 K(o=2,f=0.18) USER MOD Single : A 97 MET CE :methyl 153:sc= -0.201 (180deg=-1.16) USER MOD Single : A 100 GLN : amide:sc= 2.79 K(o=2.8,f=0.53) USER MOD Single : A 105 MET CE :methyl -137:sc= 0 (180deg=-0.0273) USER MOD Single : A 108 CYS SG : rot 170:sc= -0.106 USER MOD Single : A 112 SER OG : rot -144:sc= 1.42 USER MOD Single : A 114 THR OG1 : rot -128:sc= 0.0252 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 ASN : amide:sc= 0.32 X(o=0.32,f=0.17) USER MOD Single : A 120 THR OG1 : rot 82:sc= 1.74 USER MOD Single : A 121 LYS NZ :NH3+ 157:sc= 1.01 (180deg=0.713) USER MOD Single : A 123 ASN : amide:sc= 1.15 X(o=1.2,f=0.84) USER MOD Single : A 124 THR OG1 : rot 87:sc= 2.33 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 169:sc= 1.13 USER MOD Single : A 143 HIS : no HD1:sc= 1.38 K(o=1.4,f=-5.7!) USER MOD Single : A 145 HIS : no HD1:sc= 1.24 K(o=1.2,f=-5.4!) USER MOD Single : A 147 HIS : no HE2:sc= 0.826 K(o=0.83,f=-1.7!) USER MOD Single : A 148 LYS NZ :NH3+ -119:sc= 1.1 (180deg=-0.0523) USER MOD Single : A 151 HIS : no HD1:sc= 0.893 K(o=0.89,f=-7.5!) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 158 ASN : amide:sc= 2.39 K(o=2.4,f=0.56!) USER MOD Single : A 162 THR OG1 : rot 160:sc= 1.35 USER MOD Single : A 164 ASN : amide:sc=-0.00672 X(o=-0.0067,f=-0.4) USER MOD Single : A 168 LYS NZ :NH3+ 174:sc= 2.31 (180deg=2.21) USER MOD Single : A 186 ASN : amide:sc= 0.31 K(o=0.31,f=-1.8) USER MOD Single : A 193 TYR OH : rot 1:sc= 2.43 USER MOD Single : A 195 MET CE :methyl 139:sc= -1.08 (180deg=-3.68!) USER MOD Single : A 202 CYS SG : rot 160:sc= 0.207 USER MOD Single : A 205 ASN : amide:sc= 0.0204 K(o=0.02,f=-2.4) USER MOD Single : A 209 THR OG1 : rot -150:sc= 0.92 USER MOD Single : A 210 TYR OH : rot 158:sc= 1.45 USER MOD Single : A 213 LYS NZ :NH3+ 172:sc= 1.63 (180deg=1.54) USER MOD Single : A 214 SER OG : rot -81:sc= 2.16 USER MOD Single : A 218 SER OG : rot -52:sc= 1.46 USER MOD Single : A 222 THR OG1 : rot 75:sc= 0.567 USER MOD Single : A 234 CYS SG A: rot -26:sc= 0.00971 USER MOD Single : A 234 CYS SG B: rot -51:sc= 1.3 USER MOD Single : A 236 MET CE :methyl 159:sc= -0.131 (180deg=-0.517) USER MOD Single : A 239 MET CE A:methyl -151:sc= -0.079 (180deg=-0.568) USER MOD Single : A 248 ASN : amide:sc= 1.3 K(o=1.3,f=0.46) USER MOD Single : A 254 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 255 SER OG : rot 89:sc= 1.69 USER MOD Single : A 257 LYS NZ :NH3+ -178:sc= 0.706 (180deg=0.704) USER MOD Single : A 259 SER OG : rot -113:sc= 1.54 USER MOD Single : A 261 LYS NZ :NH3+ -108:sc= 0.446 (180deg=0.00815) USER MOD Single : A 263 GLN : amide:sc= 0.984 X(o=0.98,f=0.6) USER MOD Single : A 268 SER OG : rot 74:sc= 0.391 USER MOD Single : A 269 CYS SG : rot 180:sc= -0.152 USER MOD Single : A 272 LYS NZ :NH3+ -175:sc= 1.24 (180deg=1.21) USER MOD Single : A 273 ASN : amide:sc= -0.0974 K(o=-0.097,f=-3.3!) USER MOD Single : A 274 HIS : no HE2:sc= 2.38 K(o=2.4,f=-7.6!) USER MOD Single : A 275 SER OG : rot -45:sc= 0.737 USER MOD Single : A 276 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.55) USER MOD Single : A 280 THR OG1 : rot -76:sc= 1.06 USER MOD Single : A 282 GLN : amide:sc= 1.45 K(o=1.5,f=-0.16) USER MOD Single : A 284 MET CE A:methyl -166:sc= -0.0169 (180deg=-0.26) USER MOD Single : A 284 MET CE B:methyl -115:sc= -1.27 (180deg=-4.83!) USER MOD Single : A 285 LYS NZ :NH3+ -165:sc= 0.452 (180deg=0.355) USER MOD Single : A 292 GLN : amide:sc= 1.45 K(o=1.5,f=-3!) USER MOD Single : A 294 ASN : amide:sc= 2.81 K(o=2.8,f=-1.1!) USER MOD Single : A 297 GLN : amide:sc= 0.796 X(o=0.8,f=0.82) USER MOD Single : A 301 GLN : amide:sc= 1.68 K(o=1.7,f=-3!) USER MOD Single : A 303 LYS NZ :NH3+ -158:sc= -0.309 (180deg=-0.956) USER MOD Single : A 310 LYS NZ :NH3+ -169:sc= 1.1 (180deg=0.926) USER MOD Single : A 311 LYS NZ :NH3+ -153:sc= 0.0372 (180deg=-0.216) USER MOD Single : A 401 EDO O1 : rot 31:sc= 1.05 USER MOD Single : A 401 EDO O2 : rot -65:sc= 0.766 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 13 21.541 30.093 -2.095 1.00 56.71 N ANISOU 1 N ILE A 13 7289 7432 6828 -363 127 922 N ATOM 2 CA ILE A 13 21.514 28.996 -3.062 1.00 56.51 C ANISOU 2 CA ILE A 13 7221 7516 6736 -356 132 896 C ATOM 3 C ILE A 13 20.810 29.382 -4.369 1.00 60.51 C ANISOU 3 C ILE A 13 7745 8064 7182 -350 116 968 C ATOM 4 O ILE A 13 20.017 30.327 -4.392 1.00 60.57 O ANISOU 4 O ILE A 13 7796 8009 7209 -329 91 1031 O ATOM 5 CB ILE A 13 20.923 27.709 -2.434 1.00 58.93 C ANISOU 5 CB ILE A 13 7492 7837 7062 -302 120 813 C ATOM 0 HA ILE A 13 22.434 28.805 -3.302 1.00 56.51 H new ATOM 6 N ASP A 14 21.114 28.653 -5.458 1.00 56.46 N ANISOU 6 N ASP A 14 7198 7660 6594 -368 129 956 N ATOM 7 CA ASP A 14 20.536 28.902 -6.777 1.00 56.32 C ANISOU 7 CA ASP A 14 7192 7703 6506 -368 115 1020 C ATOM 8 C ASP A 14 19.608 27.764 -7.212 1.00 57.90 C ANISOU 8 C ASP A 14 7360 7971 6671 -321 95 972 C ATOM 9 O ASP A 14 20.075 26.718 -7.680 1.00 57.22 O ANISOU 9 O ASP A 14 7231 7970 6539 -333 115 913 O ATOM 10 CB ASP A 14 21.639 29.175 -7.817 1.00 58.82 C ANISOU 10 CB ASP A 14 7500 8096 6754 -438 149 1056 C ATOM 0 H ASP A 14 21.668 27.995 -5.443 1.00 56.46 H new ATOM 0 HA ASP A 14 19.988 29.700 -6.716 1.00 56.32 H new ATOM 11 N LEU A 15 18.288 27.973 -7.040 1.00 53.16 N ANISOU 11 N LEU A 15 6777 7330 6092 -266 56 994 N ATOM 12 CA LEU A 15 17.238 27.007 -7.397 1.00 52.33 C ANISOU 12 CA LEU A 15 6643 7281 5957 -221 31 955 C ATOM 13 C LEU A 15 17.185 26.733 -8.903 1.00 55.77 C ANISOU 13 C LEU A 15 7064 7830 6295 -242 30 981 C ATOM 14 O LEU A 15 16.837 25.623 -9.308 1.00 55.30 O ANISOU 14 O LEU A 15 6969 7844 6198 -228 26 922 O ATOM 15 CB LEU A 15 15.865 27.473 -6.892 1.00 52.27 C ANISOU 15 CB LEU A 15 6658 7207 5996 -162 -10 982 C ATOM 16 CG LEU A 15 15.642 27.383 -5.388 1.00 56.23 C ANISOU 16 CG LEU A 15 7163 7616 6586 -130 -12 933 C ATOM 17 CD1 LEU A 15 15.803 28.736 -4.735 1.00 56.78 C ANISOU 17 CD1 LEU A 15 7280 7581 6713 -133 -13 990 C ATOM 18 CD2 LEU A 15 14.269 26.861 -5.087 1.00 58.29 C ANISOU 18 CD2 LEU A 15 7408 7875 6863 -71 -46 905 C ATOM 0 H LEU A 15 17.976 28.700 -6.704 1.00 53.16 H new ATOM 0 HA LEU A 15 17.467 26.173 -6.958 1.00 52.33 H new ATOM 0 HB2 LEU A 15 15.735 28.394 -7.166 1.00 52.27 H new ATOM 0 HB3 LEU A 15 15.181 26.946 -7.335 1.00 52.27 H new ATOM 0 HG LEU A 15 16.308 26.774 -5.032 1.00 56.23 H new ATOM 0 HD11 LEU A 15 15.657 28.654 -3.780 1.00 56.78 H new ATOM 0 HD12 LEU A 15 16.700 29.069 -4.897 1.00 56.78 H new ATOM 0 HD13 LEU A 15 15.156 29.355 -5.109 1.00 56.78 H new ATOM 0 HD21 LEU A 15 14.145 26.811 -4.126 1.00 58.29 H new ATOM 0 HD22 LEU A 15 13.605 27.457 -5.467 1.00 58.29 H new ATOM 0 HD23 LEU A 15 14.167 25.977 -5.473 1.00 58.29 H new ATOM 19 N SER A 16 17.561 27.740 -9.724 1.00 52.16 N ANISOU 19 N SER A 16 6636 7388 5795 -279 35 1070 N ATOM 20 CA SER A 16 17.607 27.660 -11.187 1.00 51.87 C ANISOU 20 CA SER A 16 6589 7460 5657 -306 36 1108 C ATOM 21 C SER A 16 18.709 26.714 -11.680 1.00 52.87 C ANISOU 21 C SER A 16 6674 7682 5731 -352 79 1042 C ATOM 22 O SER A 16 18.604 26.182 -12.788 1.00 53.27 O ANISOU 22 O SER A 16 6703 7839 5697 -364 81 1035 O ATOM 23 CB SER A 16 17.796 29.049 -11.791 1.00 56.90 C ANISOU 23 CB SER A 16 7273 8075 6270 -337 32 1226 C ATOM 0 H SER A 16 17.802 28.509 -9.425 1.00 52.16 H new ATOM 0 HA SER A 16 16.758 27.296 -11.481 1.00 51.87 H new ATOM 24 N ALA A 17 19.756 26.505 -10.858 1.00 46.26 N ANISOU 24 N ALA A 17 5825 6810 4944 -374 113 990 N ATOM 25 CA ALA A 17 20.881 25.616 -11.162 1.00 44.74 C ANISOU 25 CA ALA A 17 5589 6697 4714 -410 155 921 C ATOM 26 C ALA A 17 20.546 24.138 -10.915 1.00 43.73 C ANISOU 26 C ALA A 17 5421 6603 4592 -371 153 813 C ATOM 27 O ALA A 17 21.303 23.262 -11.342 1.00 43.51 O ANISOU 27 O ALA A 17 5355 6652 4526 -390 184 750 O ATOM 28 CB ALA A 17 22.098 26.018 -10.342 1.00 45.51 C ANISOU 28 CB ALA A 17 5686 6742 4863 -446 189 912 C ATOM 0 H ALA A 17 19.826 26.889 -10.092 1.00 46.26 H new ATOM 0 HA ALA A 17 21.075 25.712 -12.108 1.00 44.74 H new ATOM 0 HB1 ALA A 17 22.838 25.425 -10.549 1.00 45.51 H new ATOM 0 HB2 ALA A 17 22.346 26.931 -10.557 1.00 45.51 H new ATOM 0 HB3 ALA A 17 21.887 25.954 -9.397 1.00 45.51 H new ATOM 29 N LEU A 18 19.426 23.854 -10.213 1.00 36.41 N ANISOU 29 N LEU A 18 4502 5617 3716 -317 118 792 N ATOM 30 CA LEU A 18 19.037 22.476 -9.911 1.00 33.70 C ANISOU 30 CA LEU A 18 4127 5295 3385 -283 114 695 C ATOM 31 C LEU A 18 18.541 21.718 -11.133 1.00 37.28 C ANISOU 31 C LEU A 18 4557 5854 3752 -283 106 671 C ATOM 32 O LEU A 18 17.879 22.285 -11.999 1.00 37.74 O ANISOU 32 O LEU A 18 4630 5952 3756 -286 83 737 O ATOM 33 CB LEU A 18 18.019 22.389 -8.751 1.00 31.93 C ANISOU 33 CB LEU A 18 3915 4979 3239 -232 81 678 C ATOM 34 CG LEU A 18 18.406 23.061 -7.426 1.00 33.66 C ANISOU 34 CG LEU A 18 4156 5089 3544 -228 86 691 C ATOM 35 CD1 LEU A 18 17.244 23.044 -6.447 1.00 32.36 C ANISOU 35 CD1 LEU A 18 4004 4849 3443 -178 53 681 C ATOM 36 CD2 LEU A 18 19.595 22.375 -6.779 1.00 35.34 C ANISOU 36 CD2 LEU A 18 4344 5297 3786 -245 120 622 C ATOM 0 H LEU A 18 18.886 24.450 -9.908 1.00 36.41 H new ATOM 0 HA LEU A 18 19.851 22.038 -9.617 1.00 33.70 H new ATOM 0 HB2 LEU A 18 17.184 22.780 -9.054 1.00 31.93 H new ATOM 0 HB3 LEU A 18 17.845 21.451 -8.573 1.00 31.93 H new ATOM 0 HG LEU A 18 18.643 23.978 -7.637 1.00 33.66 H new ATOM 0 HD11 LEU A 18 17.512 23.473 -5.619 1.00 32.36 H new ATOM 0 HD12 LEU A 18 16.491 23.522 -6.830 1.00 32.36 H new ATOM 0 HD13 LEU A 18 16.986 22.127 -6.266 1.00 32.36 H new ATOM 0 HD21 LEU A 18 19.813 22.822 -5.946 1.00 35.34 H new ATOM 0 HD22 LEU A 18 19.375 21.447 -6.599 1.00 35.34 H new ATOM 0 HD23 LEU A 18 20.357 22.416 -7.377 1.00 35.34 H new ATOM 37 N ARG A 19 18.905 20.438 -11.203 1.00 34.08 N ANISOU 37 N ARG A 19 4118 5496 3335 -281 126 576 N ATOM 38 CA ARG A 19 18.536 19.538 -12.283 1.00 34.44 C ANISOU 38 CA ARG A 19 4140 5643 3303 -283 124 532 C ATOM 39 C ARG A 19 17.118 19.001 -12.115 1.00 33.06 C ANISOU 39 C ARG A 19 3966 5453 3142 -243 83 507 C ATOM 40 O ARG A 19 16.611 18.905 -10.992 1.00 29.81 O ANISOU 40 O ARG A 19 3562 4954 2809 -211 66 490 O ATOM 41 CB ARG A 19 19.502 18.344 -12.294 1.00 35.76 C ANISOU 41 CB ARG A 19 4272 5852 3462 -292 163 432 C ATOM 0 H ARG A 19 19.390 20.061 -10.601 1.00 34.08 H new ATOM 0 HA ARG A 19 18.582 20.038 -13.113 1.00 34.44 H new ATOM 42 N ASP A 20 16.494 18.598 -13.231 1.00 28.64 N ANISOU 42 N ASP A 20 3394 4986 2504 -249 68 499 N ATOM 43 CA ASP A 20 15.195 17.943 -13.221 1.00 27.35 C ANISOU 43 CA ASP A 20 3222 4829 2340 -219 31 464 C ATOM 44 C ASP A 20 15.484 16.500 -12.750 1.00 26.77 C ANISOU 44 C ASP A 20 3126 4745 2298 -211 51 347 C ATOM 45 O ASP A 20 16.523 15.957 -13.097 1.00 27.52 O ANISOU 45 O ASP A 20 3206 4882 2369 -232 89 297 O ATOM 46 CB ASP A 20 14.565 17.929 -14.620 1.00 29.65 C ANISOU 46 CB ASP A 20 3503 5232 2529 -235 11 485 C ATOM 47 CG ASP A 20 13.160 17.365 -14.604 1.00 34.09 C ANISOU 47 CG ASP A 20 4055 5806 3092 -208 -32 457 C ATOM 48 OD1 ASP A 20 13.017 16.126 -14.674 1.00 33.83 O ANISOU 48 OD1 ASP A 20 4001 5801 3052 -209 -25 362 O ATOM 49 OD2 ASP A 20 12.202 18.161 -14.477 1.00 39.48 O ANISOU 49 OD2 ASP A 20 4750 6465 3787 -184 -71 529 O ATOM 0 H ASP A 20 16.823 18.702 -14.019 1.00 28.64 H new ATOM 0 HA ASP A 20 14.567 18.406 -12.645 1.00 27.35 H new ATOM 0 HB2 ASP A 20 14.546 18.832 -14.974 1.00 29.65 H new ATOM 0 HB3 ASP A 20 15.118 17.401 -15.217 1.00 29.65 H new ATOM 50 N PRO A 21 14.625 15.852 -11.935 1.00 22.71 N ANISOU 50 N PRO A 21 2611 4177 1842 -181 28 302 N ATOM 51 CA PRO A 21 14.981 14.513 -11.456 1.00 20.79 C ANISOU 51 CA PRO A 21 2353 3914 1632 -175 48 198 C ATOM 52 C PRO A 21 14.782 13.333 -12.401 1.00 23.86 C ANISOU 52 C PRO A 21 2722 4387 1959 -188 53 117 C ATOM 53 O PRO A 21 15.201 12.233 -12.070 1.00 21.30 O ANISOU 53 O PRO A 21 2389 4043 1663 -182 73 31 O ATOM 54 CB PRO A 21 14.081 14.356 -10.231 1.00 21.07 C ANISOU 54 CB PRO A 21 2399 3860 1749 -143 22 190 C ATOM 55 CG PRO A 21 12.838 15.119 -10.606 1.00 24.63 C ANISOU 55 CG PRO A 21 2854 4332 2173 -134 -20 258 C ATOM 56 CD PRO A 21 13.366 16.332 -11.328 1.00 22.34 C ANISOU 56 CD PRO A 21 2576 4077 1836 -151 -14 345 C ATOM 0 HA PRO A 21 15.940 14.476 -11.312 1.00 20.79 H new ATOM 0 HB2 PRO A 21 13.886 13.423 -10.049 1.00 21.07 H new ATOM 0 HB3 PRO A 21 14.497 14.720 -9.434 1.00 21.07 H new ATOM 0 HG2 PRO A 21 12.255 14.592 -11.174 1.00 24.63 H new ATOM 0 HG3 PRO A 21 12.322 15.367 -9.823 1.00 24.63 H new ATOM 0 HD2 PRO A 21 12.742 16.647 -12.001 1.00 22.34 H new ATOM 0 HD3 PRO A 21 13.522 17.070 -10.719 1.00 22.34 H new ATOM 57 N ALA A 22 14.133 13.526 -13.562 1.00 23.84 N ANISOU 57 N ALA A 22 2712 4475 1872 -204 33 141 N ATOM 58 CA ALA A 22 13.854 12.417 -14.484 1.00 25.81 C ANISOU 58 CA ALA A 22 2942 4808 2057 -220 35 61 C ATOM 59 C ALA A 22 15.111 11.624 -14.801 1.00 29.35 C ANISOU 59 C ALA A 22 3378 5287 2488 -234 83 -17 C ATOM 60 O ALA A 22 16.137 12.212 -15.117 1.00 28.88 O ANISOU 60 O ALA A 22 3316 5254 2405 -249 113 16 O ATOM 61 CB ALA A 22 13.230 12.934 -15.778 1.00 27.91 C ANISOU 61 CB ALA A 22 3202 5180 2224 -241 10 112 C ATOM 0 H ALA A 22 13.848 14.291 -13.831 1.00 23.84 H new ATOM 0 HA ALA A 22 13.225 11.826 -14.041 1.00 25.81 H new ATOM 0 HB1 ALA A 22 13.053 12.188 -16.373 1.00 27.91 H new ATOM 0 HB2 ALA A 22 12.398 13.390 -15.577 1.00 27.91 H new ATOM 0 HB3 ALA A 22 13.841 13.552 -16.208 1.00 27.91 H new ATOM 62 N GLY A 23 15.026 10.306 -14.675 1.00 26.41 N ANISOU 62 N GLY A 23 2998 4903 2133 -228 91 -120 N ATOM 63 CA GLY A 23 16.167 9.434 -14.940 1.00 26.95 C ANISOU 63 CA GLY A 23 3053 4994 2193 -232 136 -205 C ATOM 64 C GLY A 23 17.167 9.375 -13.804 1.00 29.17 C ANISOU 64 C GLY A 23 3338 5184 2561 -208 162 -214 C ATOM 65 O GLY A 23 18.160 8.656 -13.907 1.00 30.40 O ANISOU 65 O GLY A 23 3480 5352 2719 -204 199 -283 O ATOM 0 H GLY A 23 14.311 9.892 -14.435 1.00 26.41 H new ATOM 0 HA2 GLY A 23 15.843 8.538 -15.122 1.00 26.95 H new ATOM 0 HA3 GLY A 23 16.619 9.741 -15.742 1.00 26.95 H new ATOM 66 N ILE A 24 16.932 10.137 -12.700 1.00 23.83 N ANISOU 66 N ILE A 24 2678 4420 1955 -191 143 -147 N ATOM 67 CA ILE A 24 17.835 10.144 -11.549 1.00 21.56 C ANISOU 67 CA ILE A 24 2394 4049 1749 -171 164 -151 C ATOM 68 C ILE A 24 17.050 9.569 -10.361 1.00 23.59 C ANISOU 68 C ILE A 24 2667 4208 2088 -144 138 -175 C ATOM 69 O ILE A 24 17.425 8.514 -9.851 1.00 22.34 O ANISOU 69 O ILE A 24 2507 4009 1973 -127 152 -249 O ATOM 70 CB ILE A 24 18.495 11.527 -11.261 1.00 23.78 C ANISOU 70 CB ILE A 24 2680 4314 2041 -180 172 -58 C ATOM 71 CG1 ILE A 24 19.224 12.087 -12.523 1.00 25.43 C ANISOU 71 CG1 ILE A 24 2874 4628 2161 -215 198 -29 C ATOM 72 CG2 ILE A 24 19.486 11.405 -10.090 1.00 22.57 C ANISOU 72 CG2 ILE A 24 2525 4084 1967 -161 193 -75 C ATOM 73 CD1 ILE A 24 19.438 13.624 -12.502 1.00 32.37 C ANISOU 73 CD1 ILE A 24 3767 5501 3033 -234 194 82 C ATOM 0 H ILE A 24 16.249 10.652 -12.614 1.00 23.83 H new ATOM 0 HA ILE A 24 18.607 9.588 -11.737 1.00 21.56 H new ATOM 0 HB ILE A 24 17.790 12.150 -11.023 1.00 23.78 H new ATOM 0 HG12 ILE A 24 20.087 11.651 -12.606 1.00 25.43 H new ATOM 0 HG13 ILE A 24 18.711 11.852 -13.312 1.00 25.43 H new ATOM 0 HG21 ILE A 24 19.892 12.269 -9.918 1.00 22.57 H new ATOM 0 HG22 ILE A 24 19.015 11.106 -9.297 1.00 22.57 H new ATOM 0 HG23 ILE A 24 20.177 10.763 -10.316 1.00 22.57 H new ATOM 0 HD11 ILE A 24 19.894 13.899 -13.313 1.00 32.37 H new ATOM 0 HD12 ILE A 24 18.578 14.070 -12.448 1.00 32.37 H new ATOM 0 HD13 ILE A 24 19.976 13.866 -11.732 1.00 32.37 H new ATOM 74 N PHE A 25 15.944 10.239 -9.932 1.00 20.14 N ANISOU 74 N PHE A 25 2244 3737 1670 -140 101 -114 N ATOM 75 CA PHE A 25 15.096 9.723 -8.843 1.00 18.31 C ANISOU 75 CA PHE A 25 2025 3423 1508 -119 78 -135 C ATOM 76 C PHE A 25 13.659 9.683 -9.307 1.00 19.58 C ANISOU 76 C PHE A 25 2184 3618 1635 -127 41 -126 C ATOM 77 O PHE A 25 13.252 10.542 -10.092 1.00 20.41 O ANISOU 77 O PHE A 25 2287 3785 1685 -139 25 -66 O ATOM 78 CB PHE A 25 15.197 10.566 -7.566 1.00 17.93 C ANISOU 78 CB PHE A 25 1992 3288 1533 -101 71 -75 C ATOM 79 CG PHE A 25 16.466 10.360 -6.782 1.00 18.96 C ANISOU 79 CG PHE A 25 2121 3368 1714 -90 100 -97 C ATOM 80 CD1 PHE A 25 16.598 9.290 -5.907 1.00 21.34 C ANISOU 80 CD1 PHE A 25 2427 3608 2073 -71 104 -160 C ATOM 81 CD2 PHE A 25 17.527 11.244 -6.910 1.00 21.63 C ANISOU 81 CD2 PHE A 25 2455 3723 2042 -100 122 -53 C ATOM 82 CE1 PHE A 25 17.787 9.115 -5.170 1.00 20.95 C ANISOU 82 CE1 PHE A 25 2373 3516 2069 -56 128 -177 C ATOM 83 CE2 PHE A 25 18.699 11.072 -6.169 1.00 22.87 C ANISOU 83 CE2 PHE A 25 2605 3839 2244 -90 147 -73 C ATOM 84 CZ PHE A 25 18.823 10.007 -5.316 1.00 20.38 C ANISOU 84 CZ PHE A 25 2291 3467 1985 -66 149 -135 C ATOM 0 H PHE A 25 15.679 10.987 -10.263 1.00 20.14 H new ATOM 0 HA PHE A 25 15.412 8.832 -8.625 1.00 18.31 H new ATOM 0 HB2 PHE A 25 15.126 11.504 -7.804 1.00 17.93 H new ATOM 0 HB3 PHE A 25 14.440 10.360 -6.995 1.00 17.93 H new ATOM 0 HD1 PHE A 25 15.898 8.686 -5.807 1.00 21.34 H new ATOM 0 HD2 PHE A 25 17.457 11.962 -7.497 1.00 21.63 H new ATOM 0 HE1 PHE A 25 17.871 8.397 -4.585 1.00 20.95 H new ATOM 0 HE2 PHE A 25 19.396 11.681 -6.255 1.00 22.87 H new ATOM 0 HZ PHE A 25 19.610 9.887 -4.835 1.00 20.38 H new ATOM 85 N GLU A 26 12.882 8.710 -8.784 1.00 18.53 N ANISOU 85 N GLU A 26 2055 3446 1538 -122 26 -181 N ATOM 86 CA GLU A 26 11.458 8.549 -9.073 1.00 18.09 C ANISOU 86 CA GLU A 26 1994 3420 1461 -131 -10 -182 C ATOM 87 C GLU A 26 10.703 8.374 -7.766 1.00 19.18 C ANISOU 87 C GLU A 26 2141 3471 1675 -115 -28 -178 C ATOM 88 O GLU A 26 11.223 7.788 -6.813 1.00 17.32 O ANISOU 88 O GLU A 26 1917 3160 1502 -103 -11 -213 O ATOM 89 CB GLU A 26 11.193 7.342 -9.996 1.00 20.44 C ANISOU 89 CB GLU A 26 2281 3777 1707 -154 -7 -269 C ATOM 90 CG GLU A 26 11.636 5.988 -9.456 1.00 27.81 C ANISOU 90 CG GLU A 26 3226 4652 2691 -151 14 -360 C ATOM 91 CD GLU A 26 11.638 4.833 -10.444 1.00 49.04 C ANISOU 91 CD GLU A 26 5909 7396 5329 -173 24 -453 C ATOM 92 OE1 GLU A 26 11.529 5.083 -11.666 1.00 46.17 O ANISOU 92 OE1 GLU A 26 5531 7131 4882 -194 21 -452 O ATOM 93 OE2 GLU A 26 11.764 3.671 -9.993 1.00 46.66 O ANISOU 93 OE2 GLU A 26 5621 7037 5072 -170 36 -528 O ATOM 0 H GLU A 26 13.186 8.117 -8.240 1.00 18.53 H new ATOM 0 HA GLU A 26 11.150 9.343 -9.536 1.00 18.09 H new ATOM 0 HB2 GLU A 26 10.242 7.302 -10.183 1.00 20.44 H new ATOM 0 HB3 GLU A 26 11.642 7.497 -10.841 1.00 20.44 H new ATOM 0 HG2 GLU A 26 12.532 6.082 -9.097 1.00 27.81 H new ATOM 0 HG3 GLU A 26 11.057 5.752 -8.714 1.00 27.81 H new ATOM 94 N LEU A 27 9.477 8.892 -7.727 1.00 16.40 N ANISOU 94 N LEU A 27 1780 3133 1316 -113 -62 -136 N ATOM 95 CA LEU A 27 8.598 8.739 -6.576 1.00 14.41 C ANISOU 95 CA LEU A 27 1532 2815 1129 -102 -80 -134 C ATOM 96 C LEU A 27 7.923 7.375 -6.654 1.00 17.32 C ANISOU 96 C LEU A 27 1895 3190 1496 -124 -87 -215 C ATOM 97 O LEU A 27 7.475 6.977 -7.739 1.00 17.79 O ANISOU 97 O LEU A 27 1941 3328 1493 -147 -98 -246 O ATOM 98 CB LEU A 27 7.573 9.856 -6.488 1.00 14.86 C ANISOU 98 CB LEU A 27 1579 2887 1181 -87 -113 -58 C ATOM 99 CG LEU A 27 8.096 11.283 -6.513 1.00 15.76 C ANISOU 99 CG LEU A 27 1702 2994 1293 -67 -110 27 C ATOM 100 CD1 LEU A 27 6.980 12.273 -6.304 1.00 16.73 C ANISOU 100 CD1 LEU A 27 1817 3119 1423 -45 -143 95 C ATOM 101 CD2 LEU A 27 9.167 11.509 -5.428 1.00 15.57 C ANISOU 101 CD2 LEU A 27 1698 2882 1333 -54 -83 34 C ATOM 0 H LEU A 27 9.132 9.344 -8.372 1.00 16.40 H new ATOM 0 HA LEU A 27 9.129 8.795 -5.766 1.00 14.41 H new ATOM 0 HB2 LEU A 27 6.950 9.751 -7.224 1.00 14.86 H new ATOM 0 HB3 LEU A 27 7.067 9.736 -5.669 1.00 14.86 H new ATOM 0 HG LEU A 27 8.493 11.420 -7.387 1.00 15.76 H new ATOM 0 HD11 LEU A 27 7.339 13.174 -6.324 1.00 16.73 H new ATOM 0 HD12 LEU A 27 6.321 12.172 -7.009 1.00 16.73 H new ATOM 0 HD13 LEU A 27 6.561 12.111 -5.444 1.00 16.73 H new ATOM 0 HD21 LEU A 27 9.481 12.426 -5.469 1.00 15.57 H new ATOM 0 HD22 LEU A 27 8.783 11.337 -4.554 1.00 15.57 H new ATOM 0 HD23 LEU A 27 9.912 10.906 -5.578 1.00 15.57 H new ATOM 102 N VAL A 28 7.881 6.649 -5.525 1.00 15.70 N ANISOU 102 N VAL A 28 1704 2903 1358 -120 -80 -250 N ATOM 103 CA VAL A 28 7.279 5.311 -5.432 1.00 15.44 C ANISOU 103 CA VAL A 28 1672 2857 1336 -145 -85 -325 C ATOM 104 C VAL A 28 5.894 5.418 -4.775 1.00 16.75 C ANISOU 104 C VAL A 28 1826 3011 1526 -151 -113 -305 C ATOM 105 O VAL A 28 4.924 4.912 -5.333 1.00 16.49 O ANISOU 105 O VAL A 28 1775 3030 1460 -179 -133 -337 O ATOM 106 CB VAL A 28 8.191 4.324 -4.643 1.00 18.46 C ANISOU 106 CB VAL A 28 2081 3156 1776 -139 -57 -378 C ATOM 107 CG1 VAL A 28 7.523 2.952 -4.488 1.00 20.04 C ANISOU 107 CG1 VAL A 28 2290 3331 1994 -167 -62 -452 C ATOM 108 CG2 VAL A 28 9.550 4.172 -5.327 1.00 18.89 C ANISOU 108 CG2 VAL A 28 2141 3230 1806 -130 -27 -405 C ATOM 0 H VAL A 28 8.208 6.928 -4.780 1.00 15.70 H new ATOM 0 HA VAL A 28 7.183 4.954 -6.329 1.00 15.44 H new ATOM 0 HB VAL A 28 8.328 4.698 -3.759 1.00 18.46 H new ATOM 0 HG11 VAL A 28 8.111 2.359 -3.994 1.00 20.04 H new ATOM 0 HG12 VAL A 28 6.687 3.052 -4.006 1.00 20.04 H new ATOM 0 HG13 VAL A 28 7.348 2.576 -5.365 1.00 20.04 H new ATOM 0 HG21 VAL A 28 10.100 3.555 -4.820 1.00 18.89 H new ATOM 0 HG22 VAL A 28 9.424 3.829 -6.226 1.00 18.89 H new ATOM 0 HG23 VAL A 28 9.989 5.036 -5.370 1.00 18.89 H new ATOM 109 N GLU A 29 5.800 6.042 -3.600 1.00 13.63 N ANISOU 109 N GLU A 29 1438 2555 1188 -127 -115 -257 N ATOM 110 CA GLU A 29 4.503 6.157 -2.916 1.00 14.37 C ANISOU 110 CA GLU A 29 1515 2640 1306 -131 -138 -240 C ATOM 111 C GLU A 29 4.572 7.186 -1.817 1.00 13.21 C ANISOU 111 C GLU A 29 1374 2438 1208 -98 -137 -176 C ATOM 112 O GLU A 29 5.641 7.420 -1.231 1.00 12.45 O ANISOU 112 O GLU A 29 1300 2285 1146 -80 -116 -164 O ATOM 113 CB GLU A 29 4.049 4.783 -2.333 1.00 17.16 C ANISOU 113 CB GLU A 29 1877 2951 1692 -162 -135 -306 C ATOM 114 CG GLU A 29 5.018 4.177 -1.327 1.00 23.18 C ANISOU 114 CG GLU A 29 2673 3620 2514 -153 -109 -328 C ATOM 115 CD GLU A 29 4.649 2.811 -0.779 1.00 47.17 C ANISOU 115 CD GLU A 29 5728 6609 5585 -183 -105 -389 C ATOM 116 OE1 GLU A 29 3.996 2.023 -1.502 1.00 49.21 O ANISOU 116 OE1 GLU A 29 5979 6909 5812 -219 -115 -440 O ATOM 117 OE2 GLU A 29 5.034 2.522 0.376 1.00 44.94 O ANISOU 117 OE2 GLU A 29 5469 6248 5360 -174 -93 -386 O ATOM 0 H GLU A 29 6.462 6.401 -3.185 1.00 13.63 H new ATOM 0 HA GLU A 29 3.848 6.441 -3.572 1.00 14.37 H new ATOM 0 HB2 GLU A 29 3.185 4.894 -1.907 1.00 17.16 H new ATOM 0 HB3 GLU A 29 3.926 4.158 -3.065 1.00 17.16 H new ATOM 0 HG2 GLU A 29 5.891 4.112 -1.746 1.00 23.18 H new ATOM 0 HG3 GLU A 29 5.106 4.791 -0.581 1.00 23.18 H new ATOM 118 N LEU A 30 3.437 7.786 -1.506 1.00 12.02 N ANISOU 118 N LEU A 30 1199 2305 1061 -89 -160 -140 N ATOM 119 CA LEU A 30 3.377 8.690 -0.378 1.00 10.56 C ANISOU 119 CA LEU A 30 1021 2066 927 -58 -159 -90 C ATOM 120 C LEU A 30 3.660 7.874 0.900 1.00 12.00 C ANISOU 120 C LEU A 30 1224 2168 1168 -67 -140 -124 C ATOM 121 O LEU A 30 3.137 6.756 1.006 1.00 14.01 O ANISOU 121 O LEU A 30 1476 2422 1426 -98 -142 -175 O ATOM 122 CB LEU A 30 1.944 9.257 -0.286 1.00 11.58 C ANISOU 122 CB LEU A 30 1116 2235 1050 -48 -187 -60 C ATOM 123 CG LEU A 30 1.753 10.334 0.773 1.00 13.26 C ANISOU 123 CG LEU A 30 1329 2400 1308 -11 -187 -8 C ATOM 124 CD1 LEU A 30 2.424 11.646 0.357 1.00 14.45 C ANISOU 124 CD1 LEU A 30 1493 2550 1449 22 -187 55 C ATOM 125 CD2 LEU A 30 0.267 10.618 0.973 1.00 14.48 C ANISOU 125 CD2 LEU A 30 1445 2594 1463 -2 -212 6 C ATOM 0 H LEU A 30 2.697 7.684 -1.932 1.00 12.02 H new ATOM 0 HA LEU A 30 4.020 9.409 -0.477 1.00 10.56 H new ATOM 0 HB2 LEU A 30 1.698 9.623 -1.150 1.00 11.58 H new ATOM 0 HB3 LEU A 30 1.332 8.527 -0.102 1.00 11.58 H new ATOM 0 HG LEU A 30 2.155 10.005 1.592 1.00 13.26 H new ATOM 0 HD11 LEU A 30 2.287 12.313 1.048 1.00 14.45 H new ATOM 0 HD12 LEU A 30 3.375 11.499 0.234 1.00 14.45 H new ATOM 0 HD13 LEU A 30 2.036 11.959 -0.475 1.00 14.45 H new ATOM 0 HD21 LEU A 30 0.157 11.305 1.649 1.00 14.48 H new ATOM 0 HD22 LEU A 30 -0.120 10.922 0.137 1.00 14.48 H new ATOM 0 HD23 LEU A 30 -0.182 9.807 1.260 1.00 14.48 H new ATOM 126 N VAL A 31 4.435 8.416 1.842 1.00 12.10 N ANISOU 126 N VAL A 31 1258 2117 1223 -44 -124 -96 N ATOM 127 CA VAL A 31 4.721 7.691 3.094 1.00 12.84 C ANISOU 127 CA VAL A 31 1372 2138 1369 -50 -109 -122 C ATOM 128 C VAL A 31 3.720 7.993 4.175 1.00 19.96 C ANISOU 128 C VAL A 31 2263 3020 2303 -46 -118 -103 C ATOM 129 O VAL A 31 3.039 9.018 4.180 1.00 19.25 O ANISOU 129 O VAL A 31 2152 2955 2208 -24 -131 -62 O ATOM 130 CB VAL A 31 6.119 8.001 3.693 1.00 16.95 C ANISOU 130 CB VAL A 31 1919 2601 1920 -31 -88 -107 C ATOM 131 CG1 VAL A 31 7.232 7.826 2.707 1.00 18.09 C ANISOU 131 CG1 VAL A 31 2072 2767 2035 -32 -75 -123 C ATOM 132 CG2 VAL A 31 6.179 9.395 4.334 1.00 18.10 C ANISOU 132 CG2 VAL A 31 2065 2726 2086 -2 -89 -48 C ATOM 0 H VAL A 31 4.802 9.191 1.782 1.00 12.10 H new ATOM 0 HA VAL A 31 4.678 6.759 2.827 1.00 12.84 H new ATOM 0 HB VAL A 31 6.251 7.342 4.392 1.00 16.95 H new ATOM 0 HG11 VAL A 31 8.078 8.032 3.134 1.00 18.09 H new ATOM 0 HG12 VAL A 31 7.244 6.909 2.392 1.00 18.09 H new ATOM 0 HG13 VAL A 31 7.096 8.424 1.955 1.00 18.09 H new ATOM 0 HG21 VAL A 31 7.066 9.548 4.695 1.00 18.10 H new ATOM 0 HG22 VAL A 31 5.983 10.068 3.664 1.00 18.10 H new ATOM 0 HG23 VAL A 31 5.526 9.451 5.049 1.00 18.10 H new ATOM 133 N GLY A 32 3.742 7.113 5.176 1.00 20.65 N ANISOU 133 N GLY A 32 2365 3054 2427 -63 -107 -132 N ATOM 134 CA GLY A 32 3.008 7.250 6.425 1.00 21.53 C ANISOU 134 CA GLY A 32 2471 3136 2572 -62 -108 -119 C ATOM 135 C GLY A 32 1.591 7.740 6.316 1.00 25.53 C ANISOU 135 C GLY A 32 2940 3696 3065 -62 -126 -104 C ATOM 136 O GLY A 32 1.131 8.442 7.217 1.00 25.19 O ANISOU 136 O GLY A 32 2888 3639 3046 -42 -125 -77 O ATOM 0 H GLY A 32 4.206 6.390 5.140 1.00 20.65 H new ATOM 0 HA2 GLY A 32 2.998 6.387 6.868 1.00 21.53 H new ATOM 0 HA3 GLY A 32 3.497 7.859 7.000 1.00 21.53 H new ATOM 137 N ASN A 33 0.887 7.372 5.227 1.00 21.54 N ANISOU 137 N ASN A 33 2410 3256 2519 -81 -142 -124 N ATOM 138 CA ASN A 33 -0.506 7.717 5.029 1.00 22.03 C ANISOU 138 CA ASN A 33 2428 3379 2563 -82 -163 -114 C ATOM 139 C ASN A 33 -0.782 9.248 5.124 1.00 21.43 C ANISOU 139 C ASN A 33 2335 3319 2491 -32 -173 -56 C ATOM 140 O ASN A 33 -1.885 9.682 5.508 1.00 22.21 O ANISOU 140 O ASN A 33 2398 3445 2595 -20 -184 -42 O ATOM 141 CB ASN A 33 -1.323 6.910 6.043 1.00 23.56 C ANISOU 141 CB ASN A 33 2613 3555 2784 -115 -158 -141 C ATOM 142 CG ASN A 33 -2.743 7.149 5.876 1.00 38.20 C ANISOU 142 CG ASN A 33 4417 5477 4620 -120 -177 -137 C ATOM 143 OD1 ASN A 33 -3.221 7.138 4.756 1.00 26.29 O ANISOU 143 OD1 ASN A 33 2882 4037 3070 -128 -197 -144 O ATOM 144 ND2 ASN A 33 -3.398 7.461 6.976 1.00 34.05 N ANISOU 144 ND2 ASN A 33 3875 4940 4123 -113 -171 -125 N ATOM 0 H ASN A 33 1.223 6.910 4.584 1.00 21.54 H new ATOM 0 HA ASN A 33 -0.770 7.488 4.124 1.00 22.03 H new ATOM 0 HB2 ASN A 33 -1.136 5.964 5.934 1.00 23.56 H new ATOM 0 HB3 ASN A 33 -1.055 7.151 6.944 1.00 23.56 H new ATOM 0 HD21 ASN A 33 -4.229 7.678 6.935 1.00 34.05 H new ATOM 0 HD22 ASN A 33 -2.994 7.447 7.735 1.00 34.05 H new ATOM 145 N GLY A 34 0.211 10.040 4.740 1.00 17.94 N ANISOU 145 N GLY A 34 1914 2857 2044 -3 -168 -24 N ATOM 146 CA GLY A 34 0.095 11.485 4.788 1.00 16.85 C ANISOU 146 CA GLY A 34 1769 2720 1911 43 -176 32 C ATOM 147 C GLY A 34 0.464 12.163 6.092 1.00 18.61 C ANISOU 147 C GLY A 34 2012 2874 2183 68 -159 52 C ATOM 148 O GLY A 34 0.410 13.391 6.160 1.00 17.29 O ANISOU 148 O GLY A 34 1844 2698 2026 107 -164 96 O ATOM 0 H GLY A 34 0.967 9.754 4.446 1.00 17.94 H new ATOM 0 HA2 GLY A 34 0.654 11.856 4.087 1.00 16.85 H new ATOM 0 HA3 GLY A 34 -0.821 11.721 4.575 1.00 16.85 H new ATOM 149 N THR A 35 0.934 11.389 7.094 1.00 17.55 N ANISOU 149 N THR A 35 1900 2688 2080 45 -139 22 N ATOM 150 CA THR A 35 1.298 11.929 8.410 1.00 17.85 C ANISOU 150 CA THR A 35 1956 2665 2160 63 -123 36 C ATOM 151 C THR A 35 2.367 13.049 8.314 1.00 18.64 C ANISOU 151 C THR A 35 2083 2730 2269 92 -117 73 C ATOM 152 O THR A 35 2.370 13.997 9.110 1.00 18.95 O ANISOU 152 O THR A 35 2130 2735 2336 118 -112 97 O ATOM 153 CB THR A 35 1.780 10.778 9.361 1.00 29.71 C ANISOU 153 CB THR A 35 3481 4122 3686 31 -106 -1 C ATOM 154 OG1 THR A 35 0.787 9.752 9.478 1.00 27.43 O ANISOU 154 OG1 THR A 35 3172 3861 3391 -3 -111 -33 O ATOM 155 CG2 THR A 35 2.112 11.260 10.771 1.00 35.89 C ANISOU 155 CG2 THR A 35 4281 4851 4507 44 -91 11 C ATOM 0 H THR A 35 1.048 10.540 7.022 1.00 17.55 H new ATOM 0 HA THR A 35 0.500 12.333 8.785 1.00 17.85 H new ATOM 0 HB THR A 35 2.588 10.434 8.949 1.00 29.71 H new ATOM 0 HG1 THR A 35 0.920 9.165 8.892 1.00 27.43 H new ATOM 0 HG21 THR A 35 2.403 10.508 11.310 1.00 35.89 H new ATOM 0 HG22 THR A 35 2.821 11.920 10.729 1.00 35.89 H new ATOM 0 HG23 THR A 35 1.323 11.658 11.171 1.00 35.89 H new ATOM 156 N TYR A 36 3.256 12.966 7.308 1.00 13.80 N ANISOU 156 N TYR A 36 1484 2128 1631 85 -117 78 N ATOM 157 CA TYR A 36 4.309 13.959 7.124 1.00 13.42 C ANISOU 157 CA TYR A 36 1460 2053 1587 103 -109 113 C ATOM 158 C TYR A 36 4.044 14.897 5.983 1.00 16.36 C ANISOU 158 C TYR A 36 1822 2465 1928 123 -125 155 C ATOM 159 O TYR A 36 4.960 15.601 5.525 1.00 17.70 O ANISOU 159 O TYR A 36 2012 2622 2090 129 -119 186 O ATOM 160 CB TYR A 36 5.635 13.243 6.838 1.00 13.65 C ANISOU 160 CB TYR A 36 1510 2067 1609 81 -93 91 C ATOM 161 CG TYR A 36 6.093 12.400 7.997 1.00 11.20 C ANISOU 161 CG TYR A 36 1215 1709 1332 66 -79 58 C ATOM 162 CD1 TYR A 36 6.785 12.966 9.068 1.00 11.76 C ANISOU 162 CD1 TYR A 36 1305 1727 1437 76 -66 71 C ATOM 163 CD2 TYR A 36 5.884 11.032 8.007 1.00 12.38 C ANISOU 163 CD2 TYR A 36 1362 1865 1478 41 -78 14 C ATOM 164 CE1 TYR A 36 7.250 12.172 10.119 1.00 11.72 C ANISOU 164 CE1 TYR A 36 1313 1682 1457 63 -55 45 C ATOM 165 CE2 TYR A 36 6.310 10.238 9.069 1.00 12.57 C ANISOU 165 CE2 TYR A 36 1402 1842 1531 29 -66 -10 C ATOM 166 CZ TYR A 36 7.012 10.813 10.112 1.00 12.36 C ANISOU 166 CZ TYR A 36 1393 1769 1535 41 -56 7 C ATOM 167 OH TYR A 36 7.454 10.022 11.152 1.00 13.10 O ANISOU 167 OH TYR A 36 1503 1821 1654 31 -47 -12 O ATOM 0 H TYR A 36 3.259 12.336 6.723 1.00 13.80 H new ATOM 0 HA TYR A 36 4.343 14.480 7.942 1.00 13.42 H new ATOM 0 HB2 TYR A 36 5.534 12.682 6.053 1.00 13.65 H new ATOM 0 HB3 TYR A 36 6.317 13.901 6.630 1.00 13.65 H new ATOM 0 HD1 TYR A 36 6.939 13.883 9.082 1.00 11.76 H new ATOM 0 HD2 TYR A 36 5.449 10.634 7.288 1.00 12.38 H new ATOM 0 HE1 TYR A 36 7.719 12.559 10.822 1.00 11.72 H new ATOM 0 HE2 TYR A 36 6.123 9.327 9.076 1.00 12.57 H new ATOM 0 HH TYR A 36 7.794 10.507 11.748 1.00 13.10 H new ATOM 168 N GLY A 37 2.808 14.940 5.522 1.00 14.14 N ANISOU 168 N GLY A 37 1511 2235 1628 133 -146 161 N ATOM 169 CA GLY A 37 2.537 15.745 4.340 1.00 13.61 C ANISOU 169 CA GLY A 37 1433 2213 1524 153 -166 204 C ATOM 170 C GLY A 37 3.157 15.095 3.112 1.00 11.78 C ANISOU 170 C GLY A 37 1204 2028 1244 124 -166 191 C ATOM 171 O GLY A 37 3.139 13.862 2.967 1.00 12.27 O ANISOU 171 O GLY A 37 1259 2111 1293 93 -162 140 O ATOM 0 H GLY A 37 2.133 14.529 5.860 1.00 14.14 H new ATOM 0 HA2 GLY A 37 1.580 15.839 4.216 1.00 13.61 H new ATOM 0 HA3 GLY A 37 2.897 16.638 4.459 1.00 13.61 H new ATOM 172 N GLN A 38 3.630 15.926 2.195 1.00 11.57 N ANISOU 172 N GLN A 38 1187 2019 1188 135 -171 236 N ATOM 173 CA GLN A 38 4.088 15.451 0.904 1.00 10.97 C ANISOU 173 CA GLN A 38 1109 2002 1056 110 -173 228 C ATOM 174 C GLN A 38 5.527 14.929 0.973 1.00 11.52 C ANISOU 174 C GLN A 38 1205 2042 1130 85 -144 201 C ATOM 175 O GLN A 38 6.463 15.506 0.381 1.00 12.95 O ANISOU 175 O GLN A 38 1402 2228 1292 82 -134 231 O ATOM 176 CB GLN A 38 3.880 16.534 -0.147 1.00 12.65 C ANISOU 176 CB GLN A 38 1320 2257 1230 130 -193 293 C ATOM 177 CG GLN A 38 2.395 16.812 -0.393 1.00 12.87 C ANISOU 177 CG GLN A 38 1314 2333 1245 156 -226 312 C ATOM 178 CD GLN A 38 1.760 15.661 -1.089 1.00 13.38 C ANISOU 178 CD GLN A 38 1347 2472 1265 127 -239 264 C ATOM 179 OE1 GLN A 38 2.181 15.298 -2.179 1.00 14.22 O ANISOU 179 OE1 GLN A 38 1454 2632 1318 103 -241 257 O ATOM 180 NE2 GLN A 38 0.760 15.038 -0.458 1.00 13.77 N ANISOU 180 NE2 GLN A 38 1369 2529 1336 124 -247 226 N ATOM 0 H GLN A 38 3.694 16.777 2.304 1.00 11.57 H new ATOM 0 HA GLN A 38 3.555 14.687 0.635 1.00 10.97 H new ATOM 0 HB2 GLN A 38 4.319 17.351 0.139 1.00 12.65 H new ATOM 0 HB3 GLN A 38 4.300 16.263 -0.978 1.00 12.65 H new ATOM 0 HG2 GLN A 38 1.946 16.974 0.451 1.00 12.87 H new ATOM 0 HG3 GLN A 38 2.295 17.616 -0.927 1.00 12.87 H new ATOM 0 HE21 GLN A 38 0.491 15.323 0.308 1.00 13.77 H new ATOM 0 HE22 GLN A 38 0.385 14.352 -0.818 1.00 13.77 H new ATOM 181 N VAL A 39 5.691 13.795 1.650 1.00 10.76 N ANISOU 181 N VAL A 39 1109 1921 1057 66 -131 143 N ATOM 182 CA VAL A 39 6.940 13.065 1.740 1.00 10.30 C ANISOU 182 CA VAL A 39 1069 1840 1006 46 -106 107 C ATOM 183 C VAL A 39 6.704 11.699 1.122 1.00 11.23 C ANISOU 183 C VAL A 39 1175 1998 1094 20 -107 47 C ATOM 184 O VAL A 39 5.696 11.038 1.421 1.00 11.15 O ANISOU 184 O VAL A 39 1150 1995 1091 11 -119 19 O ATOM 185 CB VAL A 39 7.504 12.951 3.168 1.00 12.28 C ANISOU 185 CB VAL A 39 1337 2013 1314 51 -89 95 C ATOM 186 CG1 VAL A 39 8.791 12.101 3.175 1.00 13.24 C ANISOU 186 CG1 VAL A 39 1472 2118 1440 35 -66 56 C ATOM 187 CG2 VAL A 39 7.755 14.344 3.755 1.00 13.05 C ANISOU 187 CG2 VAL A 39 1449 2069 1439 74 -87 149 C ATOM 0 H VAL A 39 5.050 13.420 2.084 1.00 10.76 H new ATOM 0 HA VAL A 39 7.623 13.559 1.259 1.00 10.30 H new ATOM 0 HB VAL A 39 6.850 12.504 3.727 1.00 12.28 H new ATOM 0 HG11 VAL A 39 9.133 12.039 4.081 1.00 13.24 H new ATOM 0 HG12 VAL A 39 8.593 11.211 2.843 1.00 13.24 H new ATOM 0 HG13 VAL A 39 9.457 12.517 2.606 1.00 13.24 H new ATOM 0 HG21 VAL A 39 8.110 14.258 4.654 1.00 13.05 H new ATOM 0 HG22 VAL A 39 8.393 14.819 3.200 1.00 13.05 H new ATOM 0 HG23 VAL A 39 6.921 14.839 3.783 1.00 13.05 H new ATOM 188 N TYR A 40 7.615 11.279 0.240 1.00 10.62 N ANISOU 188 N TYR A 40 1102 1950 982 5 -93 26 N ATOM 189 CA TYR A 40 7.457 10.062 -0.526 1.00 10.66 C ANISOU 189 CA TYR A 40 1099 1999 954 -20 -93 -33 C ATOM 190 C TYR A 40 8.603 9.114 -0.318 1.00 11.57 C ANISOU 190 C TYR A 40 1230 2080 1086 -28 -67 -84 C ATOM 191 O TYR A 40 9.751 9.548 -0.146 1.00 11.98 O ANISOU 191 O TYR A 40 1293 2109 1150 -19 -48 -67 O ATOM 192 CB TYR A 40 7.419 10.432 -2.047 1.00 11.46 C ANISOU 192 CB TYR A 40 1186 2185 983 -28 -102 -17 C ATOM 193 CG TYR A 40 6.148 11.140 -2.437 1.00 10.56 C ANISOU 193 CG TYR A 40 1051 2117 843 -19 -134 26 C ATOM 194 CD1 TYR A 40 5.990 12.502 -2.217 1.00 11.47 C ANISOU 194 CD1 TYR A 40 1170 2219 971 9 -144 99 C ATOM 195 CD2 TYR A 40 5.108 10.449 -3.055 1.00 11.01 C ANISOU 195 CD2 TYR A 40 1085 2235 865 -38 -155 -8 C ATOM 196 CE1 TYR A 40 4.794 13.151 -2.524 1.00 11.39 C ANISOU 196 CE1 TYR A 40 1138 2249 942 25 -175 138 C ATOM 197 CE2 TYR A 40 3.892 11.069 -3.324 1.00 11.52 C ANISOU 197 CE2 TYR A 40 1124 2344 909 -26 -186 31 C ATOM 198 CZ TYR A 40 3.749 12.433 -3.080 1.00 11.46 C ANISOU 198 CZ TYR A 40 1118 2320 916 9 -196 105 C ATOM 199 OH TYR A 40 2.547 13.005 -3.374 1.00 13.00 O ANISOU 199 OH TYR A 40 1285 2561 1092 27 -229 142 O ATOM 0 H TYR A 40 8.345 11.703 0.075 1.00 10.62 H new ATOM 0 HA TYR A 40 6.639 9.631 -0.233 1.00 10.66 H new ATOM 0 HB2 TYR A 40 8.178 10.997 -2.258 1.00 11.46 H new ATOM 0 HB3 TYR A 40 7.511 9.624 -2.576 1.00 11.46 H new ATOM 0 HD1 TYR A 40 6.695 12.991 -1.858 1.00 11.47 H new ATOM 0 HD2 TYR A 40 5.229 9.558 -3.292 1.00 11.01 H new ATOM 0 HE1 TYR A 40 4.699 14.061 -2.356 1.00 11.39 H new ATOM 0 HE2 TYR A 40 3.180 10.577 -3.664 1.00 11.52 H new ATOM 0 HH TYR A 40 2.565 13.819 -3.165 1.00 13.00 H new ATOM 200 N LYS A 41 8.337 7.837 -0.428 1.00 11.35 N ANISOU 200 N LYS A 41 1201 2053 1057 -47 -66 -147 N ATOM 201 CA LYS A 41 9.362 6.840 -0.655 1.00 12.05 C ANISOU 201 CA LYS A 41 1303 2129 1148 -54 -44 -202 C ATOM 202 C LYS A 41 9.728 7.009 -2.135 1.00 14.44 C ANISOU 202 C LYS A 41 1592 2511 1382 -63 -39 -209 C ATOM 203 O LYS A 41 8.836 7.082 -2.996 1.00 14.26 O ANISOU 203 O LYS A 41 1554 2553 1312 -78 -58 -208 O ATOM 204 CB LYS A 41 8.836 5.440 -0.384 1.00 14.87 C ANISOU 204 CB LYS A 41 1667 2459 1523 -73 -46 -266 C ATOM 205 CG LYS A 41 9.886 4.338 -0.580 1.00 17.49 C ANISOU 205 CG LYS A 41 2014 2767 1863 -73 -23 -328 C ATOM 206 CD LYS A 41 9.265 2.961 -0.347 1.00 23.52 C ANISOU 206 CD LYS A 41 2792 3498 2648 -95 -28 -390 C ATOM 207 CE LYS A 41 10.284 1.862 -0.213 1.00 41.15 C ANISOU 207 CE LYS A 41 5047 5682 4908 -85 -7 -446 C ATOM 208 NZ LYS A 41 9.646 0.519 -0.240 1.00 53.81 N ANISOU 208 NZ LYS A 41 6666 7258 6522 -112 -11 -510 N ATOM 0 H LYS A 41 7.542 7.513 -0.373 1.00 11.35 H new ATOM 0 HA LYS A 41 10.124 6.954 -0.066 1.00 12.05 H new ATOM 0 HB2 LYS A 41 8.502 5.399 0.526 1.00 14.87 H new ATOM 0 HB3 LYS A 41 8.083 5.267 -0.971 1.00 14.87 H new ATOM 0 HG2 LYS A 41 10.251 4.387 -1.478 1.00 17.49 H new ATOM 0 HG3 LYS A 41 10.624 4.474 0.034 1.00 17.49 H new ATOM 0 HD2 LYS A 41 8.722 2.990 0.457 1.00 23.52 H new ATOM 0 HD3 LYS A 41 8.670 2.753 -1.084 1.00 23.52 H new ATOM 0 HE2 LYS A 41 10.930 1.929 -0.934 1.00 41.15 H new ATOM 0 HE3 LYS A 41 10.773 1.972 0.617 1.00 41.15 H new ATOM 0 HZ1 LYS A 41 10.272 -0.109 -0.159 1.00 53.81 H new ATOM 0 HZ2 LYS A 41 9.069 0.451 0.434 1.00 53.81 H new ATOM 0 HZ3 LYS A 41 9.215 0.410 -1.011 1.00 53.81 H new ATOM 209 N GLY A 42 11.019 7.173 -2.400 1.00 13.42 N ANISOU 209 N GLY A 42 1468 2385 1246 -54 -15 -210 N ATOM 210 CA GLY A 42 11.577 7.336 -3.731 1.00 14.55 C ANISOU 210 CA GLY A 42 1600 2605 1325 -64 -3 -216 C ATOM 211 C GLY A 42 12.636 6.300 -4.002 1.00 14.92 C ANISOU 211 C GLY A 42 1649 2647 1371 -64 24 -285 C ATOM 212 O GLY A 42 13.047 5.558 -3.096 1.00 14.40 O ANISOU 212 O GLY A 42 1596 2512 1361 -51 34 -318 O ATOM 0 H GLY A 42 11.616 7.193 -1.782 1.00 13.42 H new ATOM 0 HA2 GLY A 42 10.871 7.263 -4.393 1.00 14.55 H new ATOM 0 HA3 GLY A 42 11.958 8.224 -3.819 1.00 14.55 H new ATOM 213 N ARG A 43 13.136 6.291 -5.219 1.00 16.31 N ANISOU 213 N ARG A 43 1814 2898 1487 -75 38 -303 N ATOM 214 CA ARG A 43 14.170 5.337 -5.560 1.00 18.05 C ANISOU 214 CA ARG A 43 2034 3122 1704 -70 68 -373 C ATOM 215 C ARG A 43 15.070 5.921 -6.631 1.00 21.49 C ANISOU 215 C ARG A 43 2451 3636 2077 -77 90 -360 C ATOM 216 O ARG A 43 14.593 6.650 -7.503 1.00 21.18 O ANISOU 216 O ARG A 43 2402 3667 1977 -95 78 -320 O ATOM 217 CB ARG A 43 13.486 4.048 -6.064 1.00 22.33 C ANISOU 217 CB ARG A 43 2580 3675 2230 -86 61 -453 C ATOM 218 CG ARG A 43 14.391 2.849 -6.312 1.00 35.71 C ANISOU 218 CG ARG A 43 4279 5357 3932 -76 89 -539 C ATOM 219 CD ARG A 43 13.663 1.509 -6.247 1.00 49.50 C ANISOU 219 CD ARG A 43 6043 7067 5698 -89 80 -613 C ATOM 220 NE ARG A 43 12.494 1.455 -7.126 1.00 55.40 N ANISOU 220 NE ARG A 43 6783 7880 6388 -124 59 -626 N ATOM 221 CZ ARG A 43 11.260 1.169 -6.716 1.00 69.66 C ANISOU 221 CZ ARG A 43 8595 9661 8211 -145 31 -625 C ATOM 222 NH1 ARG A 43 11.026 0.882 -5.440 1.00 59.19 N ANISOU 222 NH1 ARG A 43 7288 8245 6958 -134 24 -613 N ATOM 223 NH2 ARG A 43 10.255 1.155 -7.580 1.00 52.21 N ANISOU 223 NH2 ARG A 43 6372 7522 5943 -177 10 -637 N ATOM 0 H ARG A 43 12.897 6.819 -5.855 1.00 16.31 H new ATOM 0 HA ARG A 43 14.717 5.134 -4.786 1.00 18.05 H new ATOM 0 HB2 ARG A 43 12.811 3.790 -5.417 1.00 22.33 H new ATOM 0 HB3 ARG A 43 13.022 4.254 -6.891 1.00 22.33 H new ATOM 0 HG2 ARG A 43 14.805 2.941 -7.184 1.00 35.71 H new ATOM 0 HG3 ARG A 43 15.106 2.852 -5.656 1.00 35.71 H new ATOM 0 HD2 ARG A 43 14.278 0.799 -6.490 1.00 49.50 H new ATOM 0 HD3 ARG A 43 13.383 1.342 -5.333 1.00 49.50 H new ATOM 0 HE ARG A 43 12.612 1.619 -7.962 1.00 55.40 H new ATOM 0 HH11 ARG A 43 11.673 0.880 -4.874 1.00 59.19 H new ATOM 0 HH12 ARG A 43 10.227 0.698 -5.180 1.00 59.19 H new ATOM 0 HH21 ARG A 43 10.399 1.331 -8.409 1.00 52.21 H new ATOM 0 HH22 ARG A 43 9.459 0.970 -7.311 1.00 52.21 H new ATOM 224 N HIS A 44 16.368 5.615 -6.552 1.00 20.26 N ANISOU 224 N HIS A 44 2289 3472 1936 -61 121 -390 N ATOM 225 CA HIS A 44 17.309 6.026 -7.591 1.00 20.63 C ANISOU 225 CA HIS A 44 2315 3600 1922 -71 148 -388 C ATOM 226 C HIS A 44 17.052 5.108 -8.793 1.00 25.94 C ANISOU 226 C HIS A 44 2981 4342 2533 -86 156 -463 C ATOM 227 O HIS A 44 16.996 3.891 -8.637 1.00 25.24 O ANISOU 227 O HIS A 44 2901 4218 2471 -76 160 -541 O ATOM 228 CB HIS A 44 18.757 5.914 -7.107 1.00 22.10 C ANISOU 228 CB HIS A 44 2491 3762 2144 -49 180 -404 C ATOM 229 CG HIS A 44 19.723 6.634 -8.004 1.00 25.70 C ANISOU 229 CG HIS A 44 2923 4300 2542 -64 208 -381 C ATOM 230 ND1 HIS A 44 20.126 6.100 -9.221 1.00 29.08 N ANISOU 230 ND1 HIS A 44 3332 4812 2904 -74 232 -439 N ATOM 231 CD2 HIS A 44 20.309 7.841 -7.841 1.00 26.63 C ANISOU 231 CD2 HIS A 44 3033 4428 2656 -74 215 -308 C ATOM 232 CE1 HIS A 44 20.954 6.990 -9.746 1.00 27.75 C ANISOU 232 CE1 HIS A 44 3144 4706 2693 -91 255 -396 C ATOM 233 NE2 HIS A 44 21.122 8.040 -8.940 1.00 27.42 N ANISOU 233 NE2 HIS A 44 3109 4620 2690 -92 245 -317 N ATOM 0 H HIS A 44 16.721 5.171 -5.905 1.00 20.26 H new ATOM 0 HA HIS A 44 17.178 6.957 -7.829 1.00 20.63 H new ATOM 0 HB2 HIS A 44 18.823 6.276 -6.209 1.00 22.10 H new ATOM 0 HB3 HIS A 44 19.006 4.978 -7.055 1.00 22.10 H new ATOM 0 HD2 HIS A 44 20.188 8.425 -7.127 1.00 26.63 H new ATOM 0 HE1 HIS A 44 21.367 6.895 -10.574 1.00 27.75 H new ATOM 0 HE2 HIS A 44 21.639 8.713 -9.078 1.00 27.42 H new ATOM 234 N VAL A 45 16.812 5.709 -9.969 1.00 25.30 N ANISOU 234 N VAL A 45 2887 4356 2369 -113 154 -437 N ATOM 235 CA VAL A 45 16.417 5.044 -11.212 1.00 26.89 C ANISOU 235 CA VAL A 45 3081 4639 2497 -135 156 -498 C ATOM 236 C VAL A 45 17.462 4.015 -11.698 1.00 32.82 C ANISOU 236 C VAL A 45 3821 5413 3236 -125 195 -593 C ATOM 237 O VAL A 45 17.085 2.968 -12.235 1.00 34.00 O ANISOU 237 O VAL A 45 3974 5579 3364 -133 196 -675 O ATOM 238 CB VAL A 45 16.058 6.113 -12.292 1.00 31.21 C ANISOU 238 CB VAL A 45 3616 5287 2956 -164 145 -432 C ATOM 239 CG1 VAL A 45 15.815 5.492 -13.670 1.00 31.91 C ANISOU 239 CG1 VAL A 45 3693 5477 2955 -190 150 -495 C ATOM 240 CG2 VAL A 45 14.840 6.929 -11.858 1.00 31.26 C ANISOU 240 CG2 VAL A 45 3632 5267 2976 -167 102 -353 C ATOM 0 H VAL A 45 16.880 6.561 -10.062 1.00 25.30 H new ATOM 0 HA VAL A 45 15.621 4.518 -11.037 1.00 26.89 H new ATOM 0 HB VAL A 45 16.825 6.701 -12.372 1.00 31.21 H new ATOM 0 HG11 VAL A 45 15.596 6.191 -14.306 1.00 31.91 H new ATOM 0 HG12 VAL A 45 16.616 5.029 -13.962 1.00 31.91 H new ATOM 0 HG13 VAL A 45 15.079 4.862 -13.616 1.00 31.91 H new ATOM 0 HG21 VAL A 45 14.632 7.587 -12.539 1.00 31.26 H new ATOM 0 HG22 VAL A 45 14.081 6.338 -11.737 1.00 31.26 H new ATOM 0 HG23 VAL A 45 15.034 7.381 -11.022 1.00 31.26 H new ATOM 241 N LYS A 46 18.749 4.303 -11.474 1.00 29.53 N ANISOU 241 N LYS A 46 3391 4994 2837 -107 227 -584 N ATOM 242 CA LYS A 46 19.852 3.449 -11.909 1.00 31.02 C ANISOU 242 CA LYS A 46 3563 5209 3016 -91 267 -668 C ATOM 243 C LYS A 46 20.223 2.363 -10.909 1.00 34.50 C ANISOU 243 C LYS A 46 4016 5549 3544 -51 273 -730 C ATOM 244 O LYS A 46 20.317 1.197 -11.294 1.00 36.06 O ANISOU 244 O LYS A 46 4216 5745 3740 -40 287 -824 O ATOM 245 CB LYS A 46 21.076 4.302 -12.258 1.00 34.60 C ANISOU 245 CB LYS A 46 3987 5723 3437 -95 300 -629 C ATOM 0 H LYS A 46 19.006 5.011 -11.059 1.00 29.53 H new ATOM 0 HA LYS A 46 19.539 2.983 -12.700 1.00 31.02 H new ATOM 246 N THR A 47 20.429 2.732 -9.631 1.00 26.05 N ANISOU 246 N THR A 47 2954 4393 2549 -30 262 -679 N ATOM 247 CA THR A 47 20.898 1.808 -8.597 1.00 25.27 C ANISOU 247 CA THR A 47 2867 4201 2535 11 266 -724 C ATOM 248 C THR A 47 19.817 1.095 -7.804 1.00 29.09 C ANISOU 248 C THR A 47 3385 4594 3073 13 235 -738 C ATOM 249 O THR A 47 20.102 0.079 -7.164 1.00 29.81 O ANISOU 249 O THR A 47 3491 4611 3223 44 239 -790 O ATOM 250 CB THR A 47 21.798 2.532 -7.601 1.00 29.54 C ANISOU 250 CB THR A 47 3396 4703 3126 32 272 -665 C ATOM 251 OG1 THR A 47 20.985 3.450 -6.858 1.00 24.89 O ANISOU 251 OG1 THR A 47 2824 4074 2559 15 241 -580 O ATOM 252 CG2 THR A 47 22.978 3.242 -8.253 1.00 31.28 C ANISOU 252 CG2 THR A 47 3578 5007 3300 26 306 -648 C ATOM 0 H THR A 47 20.298 3.532 -9.345 1.00 26.05 H new ATOM 0 HA THR A 47 21.372 1.126 -9.099 1.00 25.27 H new ATOM 0 HB THR A 47 22.198 1.872 -7.013 1.00 29.54 H new ATOM 0 HG1 THR A 47 21.458 4.091 -6.591 1.00 24.89 H new ATOM 0 HG21 THR A 47 23.509 3.681 -7.570 1.00 31.28 H new ATOM 0 HG22 THR A 47 23.527 2.594 -8.722 1.00 31.28 H new ATOM 0 HG23 THR A 47 22.650 3.904 -8.882 1.00 31.28 H new ATOM 253 N GLY A 48 18.623 1.676 -7.761 1.00 24.89 N ANISOU 253 N GLY A 48 2866 4066 2525 -16 204 -686 N ATOM 254 CA GLY A 48 17.536 1.116 -6.964 1.00 23.85 C ANISOU 254 CA GLY A 48 2764 3857 2443 -20 174 -691 C ATOM 255 C GLY A 48 17.597 1.534 -5.504 1.00 24.92 C ANISOU 255 C GLY A 48 2911 3906 2653 0 160 -631 C ATOM 256 O GLY A 48 16.746 1.115 -4.707 1.00 25.07 O ANISOU 256 O GLY A 48 2952 3857 2715 -4 137 -630 O ATOM 0 H GLY A 48 18.421 2.396 -8.186 1.00 24.89 H new ATOM 0 HA2 GLY A 48 16.687 1.396 -7.341 1.00 23.85 H new ATOM 0 HA3 GLY A 48 17.565 0.148 -7.020 1.00 23.85 H new ATOM 257 N GLN A 49 18.580 2.375 -5.134 1.00 21.68 N ANISOU 257 N GLN A 49 2484 3500 2254 16 174 -583 N ATOM 258 CA GLN A 49 18.732 2.841 -3.759 1.00 19.74 C ANISOU 258 CA GLN A 49 2247 3181 2073 33 162 -528 C ATOM 259 C GLN A 49 17.469 3.589 -3.338 1.00 19.52 C ANISOU 259 C GLN A 49 2233 3137 2048 10 131 -466 C ATOM 260 O GLN A 49 16.984 4.442 -4.088 1.00 18.88 O ANISOU 260 O GLN A 49 2142 3118 1914 -13 123 -427 O ATOM 261 CB GLN A 49 19.940 3.777 -3.621 1.00 21.89 C ANISOU 261 CB GLN A 49 2495 3478 2344 43 181 -485 C ATOM 262 CG GLN A 49 20.202 4.181 -2.156 1.00 29.29 C ANISOU 262 CG GLN A 49 3441 4339 3347 60 170 -438 C ATOM 263 CD GLN A 49 21.253 5.248 -1.950 1.00 49.93 C ANISOU 263 CD GLN A 49 6033 6978 5961 60 185 -388 C ATOM 264 OE1 GLN A 49 21.436 6.166 -2.760 1.00 45.73 O ANISOU 264 OE1 GLN A 49 5486 6513 5377 37 195 -354 O ATOM 265 NE2 GLN A 49 21.946 5.163 -0.828 1.00 45.06 N ANISOU 265 NE2 GLN A 49 5415 6306 5400 84 184 -381 N ATOM 0 H GLN A 49 19.170 2.685 -5.677 1.00 21.68 H new ATOM 0 HA GLN A 49 18.874 2.069 -3.189 1.00 19.74 H new ATOM 0 HB2 GLN A 49 20.728 3.340 -3.980 1.00 21.89 H new ATOM 0 HB3 GLN A 49 19.791 4.575 -4.153 1.00 21.89 H new ATOM 0 HG2 GLN A 49 19.369 4.492 -1.769 1.00 29.29 H new ATOM 0 HG3 GLN A 49 20.466 3.390 -1.662 1.00 29.29 H new ATOM 0 HE21 GLN A 49 21.801 4.516 -0.281 1.00 45.06 H new ATOM 0 HE22 GLN A 49 22.542 5.755 -0.645 1.00 45.06 H new ATOM 266 N LEU A 50 16.956 3.279 -2.146 1.00 16.54 N ANISOU 266 N LEU A 50 1876 2679 1730 19 113 -456 N ATOM 267 CA LEU A 50 15.772 3.975 -1.653 1.00 15.73 C ANISOU 267 CA LEU A 50 1783 2561 1634 2 85 -401 C ATOM 268 C LEU A 50 16.116 5.324 -1.105 1.00 16.48 C ANISOU 268 C LEU A 50 1870 2652 1739 7 83 -325 C ATOM 269 O LEU A 50 17.261 5.567 -0.696 1.00 15.76 O ANISOU 269 O LEU A 50 1773 2547 1670 24 100 -316 O ATOM 270 CB LEU A 50 15.041 3.153 -0.585 1.00 16.65 C ANISOU 270 CB LEU A 50 1922 2599 1806 4 69 -418 C ATOM 271 CG LEU A 50 14.556 1.781 -1.021 1.00 21.05 C ANISOU 271 CG LEU A 50 2493 3146 2360 -7 68 -492 C ATOM 272 CD1 LEU A 50 13.980 1.036 0.164 1.00 21.87 C ANISOU 272 CD1 LEU A 50 2622 3164 2522 -7 54 -499 C ATOM 273 CD2 LEU A 50 13.506 1.871 -2.149 1.00 23.92 C ANISOU 273 CD2 LEU A 50 2846 3580 2662 -40 55 -504 C ATOM 0 H LEU A 50 17.273 2.679 -1.617 1.00 16.54 H new ATOM 0 HA LEU A 50 15.180 4.092 -2.413 1.00 15.73 H new ATOM 0 HB2 LEU A 50 15.634 3.041 0.174 1.00 16.65 H new ATOM 0 HB3 LEU A 50 14.277 3.664 -0.275 1.00 16.65 H new ATOM 0 HG LEU A 50 15.321 1.297 -1.371 1.00 21.05 H new ATOM 0 HD11 LEU A 50 13.673 0.161 -0.122 1.00 21.87 H new ATOM 0 HD12 LEU A 50 14.664 0.932 0.844 1.00 21.87 H new ATOM 0 HD13 LEU A 50 13.234 1.537 0.530 1.00 21.87 H new ATOM 0 HD21 LEU A 50 13.222 0.978 -2.399 1.00 23.92 H new ATOM 0 HD22 LEU A 50 12.740 2.378 -1.838 1.00 23.92 H new ATOM 0 HD23 LEU A 50 13.896 2.313 -2.919 1.00 23.92 H new ATOM 274 N ALA A 51 15.133 6.223 -1.115 1.00 13.78 N ANISOU 274 N ALA A 51 1529 2325 1382 -7 63 -272 N ATOM 275 CA ALA A 51 15.312 7.550 -0.547 1.00 12.13 C ANISOU 275 CA ALA A 51 1320 2102 1188 -3 59 -200 C ATOM 276 C ALA A 51 13.977 8.044 -0.049 1.00 13.55 C ANISOU 276 C ALA A 51 1507 2261 1380 -7 32 -162 C ATOM 277 O ALA A 51 12.938 7.548 -0.491 1.00 14.03 O ANISOU 277 O ALA A 51 1566 2345 1420 -19 17 -184 O ATOM 278 CB ALA A 51 15.801 8.512 -1.624 1.00 14.66 C ANISOU 278 CB ALA A 51 1626 2492 1453 -15 70 -164 C ATOM 0 H ALA A 51 14.353 6.080 -1.448 1.00 13.78 H new ATOM 0 HA ALA A 51 15.959 7.507 0.174 1.00 12.13 H new ATOM 0 HB1 ALA A 51 15.919 9.395 -1.240 1.00 14.66 H new ATOM 0 HB2 ALA A 51 16.648 8.198 -1.978 1.00 14.66 H new ATOM 0 HB3 ALA A 51 15.148 8.556 -2.340 1.00 14.66 H new ATOM 279 N ALA A 52 13.981 9.006 0.874 1.00 11.36 N ANISOU 279 N ALA A 52 1237 1944 1137 2 26 -110 N ATOM 280 CA ALA A 52 12.778 9.759 1.201 1.00 11.43 C ANISOU 280 CA ALA A 52 1248 1944 1150 2 3 -66 C ATOM 281 C ALA A 52 12.883 11.062 0.457 1.00 11.86 C ANISOU 281 C ALA A 52 1297 2040 1169 -1 1 -8 C ATOM 282 O ALA A 52 13.976 11.672 0.371 1.00 11.96 O ANISOU 282 O ALA A 52 1312 2054 1179 -2 19 15 O ATOM 283 CB ALA A 52 12.639 10.016 2.680 1.00 12.31 C ANISOU 283 CB ALA A 52 1372 1986 1320 14 -2 -48 C ATOM 0 H ALA A 52 14.677 9.237 1.323 1.00 11.36 H new ATOM 0 HA ALA A 52 11.992 9.251 0.945 1.00 11.43 H new ATOM 0 HB1 ALA A 52 11.826 10.518 2.846 1.00 12.31 H new ATOM 0 HB2 ALA A 52 12.598 9.170 3.153 1.00 12.31 H new ATOM 0 HB3 ALA A 52 13.403 10.525 2.993 1.00 12.31 H new ATOM 284 N ILE A 53 11.760 11.483 -0.156 1.00 10.36 N ANISOU 284 N ILE A 53 1101 1888 947 -3 -20 18 N ATOM 285 CA ILE A 53 11.766 12.684 -0.989 1.00 11.17 C ANISOU 285 CA ILE A 53 1201 2032 1010 -5 -25 78 C ATOM 286 C ILE A 53 10.669 13.587 -0.514 1.00 11.31 C ANISOU 286 C ILE A 53 1222 2028 1047 12 -50 128 C ATOM 287 O ILE A 53 9.486 13.211 -0.594 1.00 12.11 O ANISOU 287 O ILE A 53 1311 2148 1141 16 -71 115 O ATOM 288 CB ILE A 53 11.602 12.343 -2.500 1.00 12.19 C ANISOU 288 CB ILE A 53 1316 2249 1066 -22 -28 64 C ATOM 289 CG1 ILE A 53 12.741 11.370 -2.902 1.00 11.87 C ANISOU 289 CG1 ILE A 53 1272 2228 1011 -34 0 4 C ATOM 290 CG2 ILE A 53 11.601 13.638 -3.324 1.00 13.89 C ANISOU 290 CG2 ILE A 53 1533 2506 1240 -23 -36 137 C ATOM 291 CD1 ILE A 53 12.855 10.968 -4.349 1.00 15.16 C ANISOU 291 CD1 ILE A 53 1674 2732 1355 -53 6 -21 C ATOM 0 H ILE A 53 10.998 11.088 -0.099 1.00 10.36 H new ATOM 0 HA ILE A 53 12.623 13.130 -0.904 1.00 11.17 H new ATOM 0 HB ILE A 53 10.755 11.904 -2.676 1.00 12.19 H new ATOM 0 HG12 ILE A 53 13.583 11.774 -2.639 1.00 11.87 H new ATOM 0 HG13 ILE A 53 12.639 10.561 -2.377 1.00 11.87 H new ATOM 0 HG21 ILE A 53 11.499 13.423 -4.264 1.00 13.89 H new ATOM 0 HG22 ILE A 53 10.865 14.202 -3.040 1.00 13.89 H new ATOM 0 HG23 ILE A 53 12.439 14.108 -3.189 1.00 13.89 H new ATOM 0 HD11 ILE A 53 13.604 10.362 -4.459 1.00 15.16 H new ATOM 0 HD12 ILE A 53 12.038 10.525 -4.627 1.00 15.16 H new ATOM 0 HD13 ILE A 53 12.996 11.758 -4.894 1.00 15.16 H new ATOM 292 N LYS A 54 11.016 14.775 -0.028 1.00 11.13 N ANISOU 292 N LYS A 54 1213 1965 1049 23 -47 182 N ATOM 293 CA LYS A 54 10.051 15.797 0.379 1.00 11.38 C ANISOU 293 CA LYS A 54 1250 1973 1101 45 -68 232 C ATOM 294 C LYS A 54 9.784 16.706 -0.812 1.00 12.97 C ANISOU 294 C LYS A 54 1451 2226 1253 46 -82 290 C ATOM 295 O LYS A 54 10.730 17.234 -1.412 1.00 13.45 O ANISOU 295 O LYS A 54 1522 2301 1288 31 -68 319 O ATOM 296 CB LYS A 54 10.607 16.582 1.578 1.00 12.97 C ANISOU 296 CB LYS A 54 1473 2098 1359 55 -57 255 C ATOM 297 CG LYS A 54 9.630 17.631 2.091 1.00 17.48 C ANISOU 297 CG LYS A 54 2050 2636 1957 82 -76 300 C ATOM 298 CD LYS A 54 9.629 17.720 3.611 1.00 32.49 C ANISOU 298 CD LYS A 54 3962 4466 3919 93 -70 284 C ATOM 299 CE LYS A 54 10.543 18.808 4.069 1.00 37.56 C ANISOU 299 CE LYS A 54 4628 5056 4586 91 -56 318 C ATOM 300 NZ LYS A 54 10.535 18.988 5.555 1.00 21.91 N ANISOU 300 NZ LYS A 54 2657 3009 2660 101 -51 303 N ATOM 0 H LYS A 54 11.835 15.016 0.077 1.00 11.13 H new ATOM 0 HA LYS A 54 9.215 15.392 0.657 1.00 11.38 H new ATOM 0 HB2 LYS A 54 10.820 15.964 2.295 1.00 12.97 H new ATOM 0 HB3 LYS A 54 11.436 17.015 1.321 1.00 12.97 H new ATOM 0 HG2 LYS A 54 9.861 18.496 1.718 1.00 17.48 H new ATOM 0 HG3 LYS A 54 8.736 17.418 1.780 1.00 17.48 H new ATOM 0 HD2 LYS A 54 8.729 17.890 3.930 1.00 32.49 H new ATOM 0 HD3 LYS A 54 9.910 16.873 3.991 1.00 32.49 H new ATOM 0 HE2 LYS A 54 11.446 18.610 3.777 1.00 37.56 H new ATOM 0 HE3 LYS A 54 10.284 19.641 3.645 1.00 37.56 H new ATOM 0 HZ1 LYS A 54 10.314 19.827 5.751 1.00 21.91 H new ATOM 0 HZ2 LYS A 54 9.942 18.432 5.918 1.00 21.91 H new ATOM 0 HZ3 LYS A 54 11.344 18.811 5.880 1.00 21.91 H new ATOM 301 N VAL A 55 8.505 16.872 -1.173 1.00 11.98 N ANISOU 301 N VAL A 55 1312 2133 1110 63 -110 308 N ATOM 302 CA VAL A 55 8.077 17.638 -2.329 1.00 12.77 C ANISOU 302 CA VAL A 55 1408 2288 1158 69 -130 364 C ATOM 303 C VAL A 55 7.405 18.913 -1.881 1.00 16.54 C ANISOU 303 C VAL A 55 1896 2722 1666 104 -149 428 C ATOM 304 O VAL A 55 6.469 18.862 -1.096 1.00 16.43 O ANISOU 304 O VAL A 55 1871 2683 1690 128 -163 416 O ATOM 305 CB VAL A 55 7.139 16.787 -3.205 1.00 14.38 C ANISOU 305 CB VAL A 55 1582 2573 1310 62 -151 334 C ATOM 306 CG1 VAL A 55 6.715 17.558 -4.455 1.00 16.09 C ANISOU 306 CG1 VAL A 55 1793 2857 1464 67 -175 395 C ATOM 307 CG2 VAL A 55 7.800 15.463 -3.588 1.00 14.52 C ANISOU 307 CG2 VAL A 55 1591 2623 1301 29 -131 261 C ATOM 0 H VAL A 55 7.851 16.528 -0.733 1.00 11.98 H new ATOM 0 HA VAL A 55 8.850 17.878 -2.863 1.00 12.77 H new ATOM 0 HB VAL A 55 6.344 16.589 -2.686 1.00 14.38 H new ATOM 0 HG11 VAL A 55 6.126 17.005 -4.992 1.00 16.09 H new ATOM 0 HG12 VAL A 55 6.249 18.368 -4.194 1.00 16.09 H new ATOM 0 HG13 VAL A 55 7.501 17.791 -4.974 1.00 16.09 H new ATOM 0 HG21 VAL A 55 7.192 14.945 -4.138 1.00 14.52 H new ATOM 0 HG22 VAL A 55 8.614 15.639 -4.085 1.00 14.52 H new ATOM 0 HG23 VAL A 55 8.014 14.963 -2.784 1.00 14.52 H new ATOM 308 N MET A 56 7.863 20.069 -2.401 1.00 16.26 N ANISOU 308 N MET A 56 1882 2679 1616 106 -149 496 N ATOM 309 CA MET A 56 7.191 21.329 -2.033 1.00 19.08 C ANISOU 309 CA MET A 56 2254 2989 2005 145 -169 559 C ATOM 310 C MET A 56 7.118 22.278 -3.202 1.00 22.57 C ANISOU 310 C MET A 56 2707 3468 2399 150 -186 636 C ATOM 311 O MET A 56 7.970 22.242 -4.094 1.00 21.32 O ANISOU 311 O MET A 56 2557 3352 2192 116 -173 651 O ATOM 312 CB MET A 56 7.873 22.019 -0.853 1.00 22.13 C ANISOU 312 CB MET A 56 2670 3280 2457 149 -148 566 C ATOM 313 CG MET A 56 9.313 22.377 -1.124 1.00 26.39 C ANISOU 313 CG MET A 56 3235 3805 2987 113 -121 584 C ATOM 314 SD MET A 56 10.148 22.852 0.399 1.00 31.01 S ANISOU 314 SD MET A 56 3848 4288 3648 108 -96 569 S ATOM 315 CE MET A 56 10.533 21.302 1.044 1.00 25.79 C ANISOU 315 CE MET A 56 3162 3641 2997 90 -79 480 C ATOM 0 H MET A 56 8.528 20.144 -2.942 1.00 16.26 H new ATOM 0 HA MET A 56 6.290 21.090 -1.766 1.00 19.08 H new ATOM 0 HB2 MET A 56 7.382 22.825 -0.630 1.00 22.13 H new ATOM 0 HB3 MET A 56 7.831 21.438 -0.078 1.00 22.13 H new ATOM 0 HG2 MET A 56 9.769 21.621 -1.526 1.00 26.39 H new ATOM 0 HG3 MET A 56 9.355 23.106 -1.762 1.00 26.39 H new ATOM 0 HE1 MET A 56 11.168 21.402 1.770 1.00 25.79 H new ATOM 0 HE2 MET A 56 9.726 20.880 1.377 1.00 25.79 H new ATOM 0 HE3 MET A 56 10.922 20.749 0.348 1.00 25.79 H new ATOM 316 N ASP A 57 6.128 23.168 -3.173 1.00 24.41 N ANISOU 316 N ASP A 57 2942 3685 2647 194 -215 688 N ATOM 317 CA ASP A 57 6.019 24.183 -4.197 1.00 27.71 C ANISOU 317 CA ASP A 57 3377 4127 3026 205 -235 773 C ATOM 318 C ASP A 57 6.975 25.302 -3.872 1.00 33.05 C ANISOU 318 C ASP A 57 4100 4721 3735 196 -215 823 C ATOM 319 O ASP A 57 7.170 25.615 -2.698 1.00 32.94 O ANISOU 319 O ASP A 57 4104 4625 3789 207 -201 805 O ATOM 320 CB ASP A 57 4.578 24.705 -4.287 1.00 31.30 C ANISOU 320 CB ASP A 57 3813 4594 3485 261 -276 811 C ATOM 321 CG ASP A 57 3.636 23.710 -4.924 1.00 45.11 C ANISOU 321 CG ASP A 57 5514 6443 5184 261 -300 774 C ATOM 322 OD1 ASP A 57 4.055 23.025 -5.882 1.00 44.35 O ANISOU 322 OD1 ASP A 57 5407 6422 5021 222 -296 758 O ATOM 323 OD2 ASP A 57 2.476 23.620 -4.472 1.00 57.95 O ANISOU 323 OD2 ASP A 57 7110 8075 6834 299 -323 760 O ATOM 0 H ASP A 57 5.516 23.196 -2.570 1.00 24.41 H new ATOM 0 HA ASP A 57 6.247 23.804 -5.060 1.00 27.71 H new ATOM 0 HB2 ASP A 57 4.260 24.921 -3.396 1.00 31.30 H new ATOM 0 HB3 ASP A 57 4.568 25.528 -4.800 1.00 31.30 H new ATOM 324 N VAL A 58 7.617 25.880 -4.898 1.00 32.82 N ANISOU 324 N VAL A 58 4094 4720 3658 171 -213 884 N ATOM 325 CA VAL A 58 8.507 26.999 -4.651 1.00 35.16 C ANISOU 325 CA VAL A 58 4436 4938 3985 156 -195 937 C ATOM 326 C VAL A 58 7.757 28.294 -4.938 1.00 43.19 C ANISOU 326 C VAL A 58 5481 5919 5013 200 -226 1027 C ATOM 327 O VAL A 58 7.590 28.705 -6.088 1.00 43.19 O ANISOU 327 O VAL A 58 5487 5971 4954 199 -246 1093 O ATOM 328 CB VAL A 58 9.922 26.931 -5.280 1.00 41.07 C ANISOU 328 CB VAL A 58 5198 5714 4691 93 -162 945 C ATOM 329 CG1 VAL A 58 10.758 25.865 -4.595 1.00 40.51 C ANISOU 329 CG1 VAL A 58 5109 5644 4640 62 -129 856 C ATOM 330 CG2 VAL A 58 9.889 26.701 -6.781 1.00 42.28 C ANISOU 330 CG2 VAL A 58 5338 5973 4752 72 -173 978 C ATOM 0 H VAL A 58 7.548 25.640 -5.721 1.00 32.82 H new ATOM 0 HA VAL A 58 8.744 26.956 -3.711 1.00 35.16 H new ATOM 0 HB VAL A 58 10.333 27.798 -5.140 1.00 41.07 H new ATOM 0 HG11 VAL A 58 11.639 25.835 -4.999 1.00 40.51 H new ATOM 0 HG12 VAL A 58 10.843 26.076 -3.652 1.00 40.51 H new ATOM 0 HG13 VAL A 58 10.327 25.002 -4.695 1.00 40.51 H new ATOM 0 HG21 VAL A 58 10.796 26.667 -7.123 1.00 42.28 H new ATOM 0 HG22 VAL A 58 9.440 25.862 -6.970 1.00 42.28 H new ATOM 0 HG23 VAL A 58 9.409 27.427 -7.209 1.00 42.28 H new ATOM 331 N THR A 59 7.208 28.860 -3.862 1.00 42.63 N ANISOU 331 N THR A 59 5421 5760 5014 245 -233 1023 N ATOM 332 CA THR A 59 6.486 30.123 -3.858 1.00 44.56 C ANISOU 332 CA THR A 59 5695 5946 5290 297 -260 1098 C ATOM 333 C THR A 59 7.505 31.144 -3.355 1.00 49.73 C ANISOU 333 C THR A 59 6405 6498 5990 272 -234 1130 C ATOM 334 O THR A 59 8.380 30.800 -2.547 1.00 49.85 O ANISOU 334 O THR A 59 6425 6478 6036 234 -201 1074 O ATOM 335 CB THR A 59 5.255 30.045 -2.926 1.00 54.09 C ANISOU 335 CB THR A 59 6876 7126 6551 362 -279 1061 C ATOM 336 OG1 THR A 59 4.663 28.745 -3.000 1.00 53.16 O ANISOU 336 OG1 THR A 59 6703 7094 6403 359 -286 994 O ATOM 337 CG2 THR A 59 4.203 31.097 -3.257 1.00 56.04 C ANISOU 337 CG2 THR A 59 7133 7350 6809 430 -318 1136 C ATOM 0 H THR A 59 7.251 28.499 -3.083 1.00 42.63 H new ATOM 0 HA THR A 59 6.140 30.359 -4.733 1.00 44.56 H new ATOM 0 HB THR A 59 5.573 30.219 -2.026 1.00 54.09 H new ATOM 0 HG1 THR A 59 3.996 28.711 -2.490 1.00 53.16 H new ATOM 0 HG21 THR A 59 3.453 31.008 -2.648 1.00 56.04 H new ATOM 0 HG22 THR A 59 4.590 31.982 -3.166 1.00 56.04 H new ATOM 0 HG23 THR A 59 3.895 30.972 -4.168 1.00 56.04 H new ATOM 338 N GLY A 60 7.384 32.380 -3.823 1.00 46.29 N ANISOU 338 N GLY A 60 6013 6015 5560 292 -251 1220 N ATOM 339 CA GLY A 60 8.271 33.470 -3.430 1.00 45.87 C ANISOU 339 CA GLY A 60 6018 5859 5550 266 -230 1259 C ATOM 340 C GLY A 60 8.195 33.851 -1.963 1.00 48.10 C ANISOU 340 C GLY A 60 6318 6036 5921 290 -217 1212 C ATOM 341 O GLY A 60 9.102 34.519 -1.462 1.00 49.25 O ANISOU 341 O GLY A 60 6506 6102 6104 254 -192 1219 O ATOM 0 H GLY A 60 6.777 32.614 -4.385 1.00 46.29 H new ATOM 0 HA2 GLY A 60 9.184 33.219 -3.640 1.00 45.87 H new ATOM 0 HA3 GLY A 60 8.061 34.251 -3.966 1.00 45.87 H new ATOM 342 N ASP A 61 7.128 33.410 -1.258 1.00 42.15 N ANISOU 342 N ASP A 61 5529 5286 5199 347 -232 1160 N ATOM 343 CA ASP A 61 6.872 33.692 0.158 1.00 41.28 C ANISOU 343 CA ASP A 61 5427 5089 5167 377 -221 1109 C ATOM 344 C ASP A 61 7.620 32.789 1.147 1.00 41.89 C ANISOU 344 C ASP A 61 5486 5169 5263 332 -188 1019 C ATOM 345 O ASP A 61 7.829 33.202 2.288 1.00 41.93 O ANISOU 345 O ASP A 61 5512 5092 5327 336 -172 985 O ATOM 346 CB ASP A 61 5.364 33.655 0.449 1.00 43.79 C ANISOU 346 CB ASP A 61 5713 5417 5508 459 -251 1098 C ATOM 0 H ASP A 61 6.517 32.921 -1.614 1.00 42.15 H new ATOM 0 HA ASP A 61 7.226 34.583 0.304 1.00 41.28 H new ATOM 347 N GLU A 62 7.996 31.561 0.732 1.00 35.14 N ANISOU 347 N GLU A 62 4592 4405 4355 293 -179 979 N ATOM 348 CA GLU A 62 8.713 30.607 1.595 1.00 32.76 C ANISOU 348 CA GLU A 62 4270 4111 4066 254 -150 897 C ATOM 349 C GLU A 62 10.204 30.448 1.233 1.00 33.18 C ANISOU 349 C GLU A 62 4338 4179 4092 182 -121 898 C ATOM 350 O GLU A 62 10.834 29.477 1.657 1.00 29.34 O ANISOU 350 O GLU A 62 3826 3721 3600 150 -101 835 O ATOM 351 CB GLU A 62 7.989 29.248 1.620 1.00 33.87 C ANISOU 351 CB GLU A 62 4355 4334 4180 268 -159 837 C ATOM 0 H GLU A 62 7.840 31.263 -0.059 1.00 35.14 H new ATOM 0 HA GLU A 62 8.702 30.982 2.489 1.00 32.76 H new ATOM 352 N GLU A 63 10.782 31.419 0.507 1.00 30.04 N ANISOU 352 N GLU A 63 3978 3758 3679 157 -119 970 N ATOM 353 CA GLU A 63 12.182 31.404 0.074 1.00 30.40 C ANISOU 353 CA GLU A 63 4035 3821 3695 86 -91 980 C ATOM 354 C GLU A 63 13.166 31.232 1.227 1.00 32.54 C ANISOU 354 C GLU A 63 4309 4047 4009 50 -62 921 C ATOM 355 O GLU A 63 14.014 30.344 1.152 1.00 30.10 O ANISOU 355 O GLU A 63 3971 3791 3672 9 -41 878 O ATOM 356 CB GLU A 63 12.522 32.652 -0.759 1.00 33.04 C ANISOU 356 CB GLU A 63 4416 4124 4013 66 -95 1074 C ATOM 0 H GLU A 63 10.356 32.120 0.249 1.00 30.04 H new ATOM 0 HA GLU A 63 12.281 30.621 -0.490 1.00 30.40 H new ATOM 357 N GLU A 64 13.014 32.021 2.312 1.00 29.37 N ANISOU 357 N GLU A 64 3938 3548 3673 68 -61 913 N ATOM 358 CA GLU A 64 13.894 31.957 3.485 1.00 29.11 C ANISOU 358 CA GLU A 64 3910 3470 3682 34 -36 858 C ATOM 359 C GLU A 64 13.839 30.610 4.189 1.00 28.84 C ANISOU 359 C GLU A 64 3829 3483 3647 41 -30 776 C ATOM 360 O GLU A 64 14.881 30.095 4.608 1.00 26.63 O ANISOU 360 O GLU A 64 3535 3218 3367 -2 -8 735 O ATOM 361 CB GLU A 64 13.603 33.100 4.467 1.00 31.45 C ANISOU 361 CB GLU A 64 4250 3655 4046 56 -38 865 C ATOM 0 H GLU A 64 12.391 32.610 2.381 1.00 29.37 H new ATOM 0 HA GLU A 64 14.799 32.064 3.152 1.00 29.11 H new ATOM 362 N GLU A 65 12.632 30.032 4.306 1.00 23.77 N ANISOU 362 N GLU A 65 3160 2866 3005 94 -50 753 N ATOM 363 CA GLU A 65 12.430 28.731 4.937 1.00 21.86 C ANISOU 363 CA GLU A 65 2878 2667 2762 101 -46 681 C ATOM 364 C GLU A 65 13.018 27.607 4.097 1.00 22.97 C ANISOU 364 C GLU A 65 2986 2895 2847 70 -38 662 C ATOM 365 O GLU A 65 13.605 26.671 4.650 1.00 21.39 O ANISOU 365 O GLU A 65 2763 2715 2650 50 -23 605 O ATOM 366 CB GLU A 65 10.945 28.466 5.211 1.00 23.27 C ANISOU 366 CB GLU A 65 3038 2852 2953 161 -69 666 C ATOM 0 H GLU A 65 11.907 30.393 4.017 1.00 23.77 H new ATOM 0 HA GLU A 65 12.898 28.753 5.786 1.00 21.86 H new ATOM 367 N ILE A 66 12.859 27.683 2.768 1.00 18.36 N ANISOU 367 N ILE A 66 2399 2365 2212 66 -48 709 N ATOM 368 CA ILE A 66 13.407 26.666 1.853 1.00 18.74 C ANISOU 368 CA ILE A 66 2417 2501 2202 36 -38 690 C ATOM 369 C ILE A 66 14.933 26.724 1.923 1.00 21.79 C ANISOU 369 C ILE A 66 2808 2885 2585 -19 -8 682 C ATOM 370 O ILE A 66 15.584 25.679 2.048 1.00 19.64 O ANISOU 370 O ILE A 66 2507 2655 2300 -38 8 629 O ATOM 371 CB ILE A 66 12.855 26.848 0.411 1.00 22.74 C ANISOU 371 CB ILE A 66 2921 3069 2650 44 -56 745 C ATOM 372 CG1 ILE A 66 11.370 26.458 0.376 1.00 23.58 C ANISOU 372 CG1 ILE A 66 3006 3198 2755 97 -86 736 C ATOM 373 CG2 ILE A 66 13.679 26.023 -0.602 1.00 24.67 C ANISOU 373 CG2 ILE A 66 3142 3402 2831 3 -40 730 C ATOM 374 CD1 ILE A 66 10.604 26.956 -0.875 1.00 29.48 C ANISOU 374 CD1 ILE A 66 3757 3991 3455 117 -113 803 C ATOM 0 H ILE A 66 12.435 28.319 2.374 1.00 18.36 H new ATOM 0 HA ILE A 66 13.123 25.780 2.126 1.00 18.74 H new ATOM 0 HB ILE A 66 12.936 27.780 0.155 1.00 22.74 H new ATOM 0 HG12 ILE A 66 11.300 25.492 0.421 1.00 23.58 H new ATOM 0 HG13 ILE A 66 10.936 26.811 1.169 1.00 23.58 H new ATOM 0 HG21 ILE A 66 13.318 26.151 -1.493 1.00 24.67 H new ATOM 0 HG22 ILE A 66 14.603 26.316 -0.583 1.00 24.67 H new ATOM 0 HG23 ILE A 66 13.634 25.083 -0.367 1.00 24.67 H new ATOM 0 HD11 ILE A 66 9.678 26.671 -0.823 1.00 29.48 H new ATOM 0 HD12 ILE A 66 10.642 27.924 -0.914 1.00 29.48 H new ATOM 0 HD13 ILE A 66 11.012 26.585 -1.673 1.00 29.48 H new ATOM 375 N LYS A 67 15.502 27.927 1.905 1.00 19.92 N ANISOU 375 N LYS A 67 2608 2597 2364 -43 0 733 N ATOM 376 CA LYS A 67 16.960 28.091 1.984 1.00 19.92 C ANISOU 376 CA LYS A 67 2611 2598 2362 -101 29 729 C ATOM 377 C LYS A 67 17.517 27.567 3.301 1.00 21.16 C ANISOU 377 C LYS A 67 2753 2726 2562 -107 42 661 C ATOM 378 O LYS A 67 18.575 26.913 3.313 1.00 20.01 O ANISOU 378 O LYS A 67 2581 2622 2401 -141 62 627 O ATOM 379 CB LYS A 67 17.376 29.560 1.806 1.00 23.53 C ANISOU 379 CB LYS A 67 3114 2995 2833 -130 33 798 C ATOM 380 CG LYS A 67 17.074 30.208 0.446 1.00 41.84 C ANISOU 380 CG LYS A 67 5452 5340 5104 -135 23 878 C ATOM 381 CD LYS A 67 16.979 29.264 -0.761 1.00 52.80 C ANISOU 381 CD LYS A 67 6805 6838 6419 -136 21 875 C ATOM 382 CE LYS A 67 17.928 29.659 -1.859 1.00 66.91 C ANISOU 382 CE LYS A 67 8596 8674 8151 -193 41 923 C ATOM 383 NZ LYS A 67 17.534 30.927 -2.528 1.00 76.23 N ANISOU 383 NZ LYS A 67 9824 9818 9322 -196 27 1018 N ATOM 0 H LYS A 67 15.064 28.665 1.848 1.00 19.92 H new ATOM 0 HA LYS A 67 17.332 27.568 1.257 1.00 19.92 H new ATOM 0 HB2 LYS A 67 16.937 30.084 2.494 1.00 23.53 H new ATOM 0 HB3 LYS A 67 18.330 29.625 1.966 1.00 23.53 H new ATOM 0 HG2 LYS A 67 16.236 30.691 0.520 1.00 41.84 H new ATOM 0 HG3 LYS A 67 17.764 30.865 0.263 1.00 41.84 H new ATOM 0 HD2 LYS A 67 17.173 28.357 -0.477 1.00 52.80 H new ATOM 0 HD3 LYS A 67 16.071 29.267 -1.102 1.00 52.80 H new ATOM 0 HE2 LYS A 67 18.820 29.755 -1.491 1.00 66.91 H new ATOM 0 HE3 LYS A 67 17.968 28.949 -2.518 1.00 66.91 H new ATOM 0 HZ1 LYS A 67 18.097 31.098 -3.196 1.00 76.23 H new ATOM 0 HZ2 LYS A 67 16.708 30.849 -2.849 1.00 76.23 H new ATOM 0 HZ3 LYS A 67 17.561 31.594 -1.940 1.00 76.23 H new ATOM 384 N GLN A 68 16.853 27.863 4.416 1.00 18.20 N ANISOU 384 N GLN A 68 2393 2283 2239 -75 30 643 N ATOM 385 CA GLN A 68 17.279 27.384 5.728 1.00 17.93 C ANISOU 385 CA GLN A 68 2347 2223 2243 -79 39 582 C ATOM 386 C GLN A 68 17.311 25.840 5.733 1.00 18.31 C ANISOU 386 C GLN A 68 2352 2337 2268 -69 41 525 C ATOM 387 O GLN A 68 18.294 25.239 6.198 1.00 17.72 O ANISOU 387 O GLN A 68 2257 2279 2197 -93 56 485 O ATOM 388 CB GLN A 68 16.333 27.912 6.842 1.00 19.63 C ANISOU 388 CB GLN A 68 2584 2364 2510 -40 25 571 C ATOM 389 CG GLN A 68 16.457 27.254 8.251 1.00 16.77 C ANISOU 389 CG GLN A 68 2207 1983 2181 -35 30 505 C ATOM 390 CD GLN A 68 17.831 27.398 8.880 1.00 20.00 C ANISOU 390 CD GLN A 68 2615 2380 2603 -83 49 484 C ATOM 391 OE1 GLN A 68 18.638 28.265 8.507 1.00 20.59 O ANISOU 391 OE1 GLN A 68 2709 2437 2675 -123 60 518 O ATOM 392 NE2 GLN A 68 18.102 26.555 9.873 1.00 17.78 N ANISOU 392 NE2 GLN A 68 2312 2109 2335 -81 51 429 N ATOM 0 H GLN A 68 16.143 28.347 4.433 1.00 18.20 H new ATOM 0 HA GLN A 68 18.171 27.720 5.909 1.00 17.93 H new ATOM 0 HB2 GLN A 68 16.486 28.865 6.940 1.00 19.63 H new ATOM 0 HB3 GLN A 68 15.419 27.802 6.538 1.00 19.63 H new ATOM 0 HG2 GLN A 68 15.798 27.650 8.842 1.00 16.77 H new ATOM 0 HG3 GLN A 68 16.242 26.311 8.178 1.00 16.77 H new ATOM 0 HE21 GLN A 68 17.521 25.966 10.107 1.00 17.78 H new ATOM 0 HE22 GLN A 68 18.858 26.599 10.281 1.00 17.78 H new ATOM 393 N GLU A 69 16.257 25.192 5.209 1.00 14.30 N ANISOU 393 N GLU A 69 1829 1867 1739 -34 25 520 N ATOM 394 CA GLU A 69 16.175 23.755 5.194 1.00 13.51 C ANISOU 394 CA GLU A 69 1694 1820 1620 -25 25 466 C ATOM 395 C GLU A 69 17.241 23.114 4.288 1.00 15.23 C ANISOU 395 C GLU A 69 1890 2105 1794 -57 43 456 C ATOM 396 O GLU A 69 17.905 22.178 4.738 1.00 14.02 O ANISOU 396 O GLU A 69 1713 1968 1645 -64 55 406 O ATOM 397 CB GLU A 69 14.763 23.310 4.799 1.00 14.63 C ANISOU 397 CB GLU A 69 1826 1986 1747 14 3 466 C ATOM 398 CG GLU A 69 14.598 21.811 4.912 1.00 14.01 C ANISOU 398 CG GLU A 69 1717 1949 1657 21 3 406 C ATOM 399 CD GLU A 69 13.179 21.295 4.857 1.00 15.15 C ANISOU 399 CD GLU A 69 1849 2110 1797 55 -18 393 C ATOM 400 OE1 GLU A 69 12.247 22.085 4.580 1.00 18.93 O ANISOU 400 OE1 GLU A 69 2338 2579 2277 78 -36 433 O ATOM 401 OE2 GLU A 69 12.998 20.082 5.088 1.00 17.34 O ANISOU 401 OE2 GLU A 69 2106 2411 2072 57 -18 343 O ATOM 0 H GLU A 69 15.579 25.588 4.857 1.00 14.30 H new ATOM 0 HA GLU A 69 16.360 23.442 6.093 1.00 13.51 H new ATOM 0 HB2 GLU A 69 14.113 23.751 5.368 1.00 14.63 H new ATOM 0 HB3 GLU A 69 14.578 23.589 3.888 1.00 14.63 H new ATOM 0 HG2 GLU A 69 15.103 21.393 4.197 1.00 14.01 H new ATOM 0 HG3 GLU A 69 14.996 21.522 5.748 1.00 14.01 H new ATOM 402 N ILE A 70 17.449 23.618 3.067 1.00 14.01 N ANISOU 402 N ILE A 70 1740 1987 1596 -76 47 502 N ATOM 403 CA ILE A 70 18.490 23.065 2.189 1.00 13.69 C ANISOU 403 CA ILE A 70 1674 2016 1509 -109 68 490 C ATOM 404 C ILE A 70 19.863 23.265 2.838 1.00 17.22 C ANISOU 404 C ILE A 70 2116 2446 1979 -144 91 475 C ATOM 405 O ILE A 70 20.691 22.342 2.799 1.00 15.39 O ANISOU 405 O ILE A 70 1853 2259 1735 -154 107 429 O ATOM 406 CB ILE A 70 18.438 23.770 0.811 1.00 16.58 C ANISOU 406 CB ILE A 70 2051 2424 1823 -128 69 552 C ATOM 407 CG1 ILE A 70 17.171 23.376 0.059 1.00 17.99 C ANISOU 407 CG1 ILE A 70 2226 2641 1969 -95 45 560 C ATOM 408 CG2 ILE A 70 19.711 23.454 -0.025 1.00 17.76 C ANISOU 408 CG2 ILE A 70 2177 2643 1926 -171 97 544 C ATOM 409 CD1 ILE A 70 16.911 24.227 -1.216 1.00 18.12 C ANISOU 409 CD1 ILE A 70 2259 2692 1935 -107 37 633 C ATOM 0 H ILE A 70 17.004 24.273 2.730 1.00 14.01 H new ATOM 0 HA ILE A 70 18.338 22.116 2.059 1.00 13.69 H new ATOM 0 HB ILE A 70 18.416 24.729 0.958 1.00 16.58 H new ATOM 0 HG12 ILE A 70 17.231 22.441 -0.193 1.00 17.99 H new ATOM 0 HG13 ILE A 70 16.411 23.461 0.655 1.00 17.99 H new ATOM 0 HG21 ILE A 70 19.656 23.905 -0.882 1.00 17.76 H new ATOM 0 HG22 ILE A 70 20.497 23.763 0.453 1.00 17.76 H new ATOM 0 HG23 ILE A 70 19.775 22.497 -0.168 1.00 17.76 H new ATOM 0 HD11 ILE A 70 16.094 23.927 -1.645 1.00 18.12 H new ATOM 0 HD12 ILE A 70 16.822 25.161 -0.969 1.00 18.12 H new ATOM 0 HD13 ILE A 70 17.655 24.125 -1.830 1.00 18.12 H new ATOM 410 N ASN A 71 20.127 24.444 3.443 1.00 14.47 N ANISOU 410 N ASN A 71 1797 2035 1666 -162 93 509 N ATOM 411 CA ASN A 71 21.424 24.691 4.056 1.00 14.90 C ANISOU 411 CA ASN A 71 1844 2077 1739 -201 113 495 C ATOM 412 C ASN A 71 21.682 23.753 5.197 1.00 15.96 C ANISOU 412 C ASN A 71 1955 2202 1906 -184 112 431 C ATOM 413 O ASN A 71 22.808 23.251 5.324 1.00 14.70 O ANISOU 413 O ASN A 71 1766 2078 1740 -205 129 400 O ATOM 414 CB ASN A 71 21.573 26.154 4.466 1.00 20.34 C ANISOU 414 CB ASN A 71 2573 2696 2459 -227 113 542 C ATOM 415 CG ASN A 71 21.959 27.040 3.309 1.00 39.22 C ANISOU 415 CG ASN A 71 4980 5107 4813 -267 124 606 C ATOM 416 OD1 ASN A 71 22.634 26.615 2.359 1.00 31.93 O ANISOU 416 OD1 ASN A 71 4031 4260 3842 -293 141 607 O ATOM 417 ND2 ASN A 71 21.533 28.296 3.359 1.00 34.85 N ANISOU 417 ND2 ASN A 71 4473 4486 4282 -273 115 660 N ATOM 0 H ASN A 71 19.569 25.096 3.502 1.00 14.47 H new ATOM 0 HA ASN A 71 22.105 24.512 3.389 1.00 14.90 H new ATOM 0 HB2 ASN A 71 20.737 26.468 4.845 1.00 20.34 H new ATOM 0 HB3 ASN A 71 22.245 26.225 5.162 1.00 20.34 H new ATOM 0 HD21 ASN A 71 21.724 28.840 2.721 1.00 34.85 H new ATOM 0 HD22 ASN A 71 21.066 28.565 4.029 1.00 34.85 H new ATOM 418 N MET A 72 20.676 23.451 6.009 1.00 13.66 N ANISOU 418 N MET A 72 1675 1871 1646 -144 93 410 N ATOM 419 CA MET A 72 20.904 22.507 7.081 1.00 12.50 C ANISOU 419 CA MET A 72 1508 1717 1524 -129 91 354 C ATOM 420 C MET A 72 21.215 21.134 6.543 1.00 13.82 C ANISOU 420 C MET A 72 1640 1947 1663 -118 98 313 C ATOM 421 O MET A 72 22.110 20.455 7.058 1.00 12.75 O ANISOU 421 O MET A 72 1480 1827 1537 -122 107 276 O ATOM 422 CB MET A 72 19.707 22.400 8.065 1.00 14.44 C ANISOU 422 CB MET A 72 1770 1911 1804 -91 72 339 C ATOM 423 CG MET A 72 19.321 23.684 8.808 1.00 18.20 C ANISOU 423 CG MET A 72 2282 2317 2317 -93 65 366 C ATOM 424 SD MET A 72 20.671 24.428 9.757 1.00 19.94 S ANISOU 424 SD MET A 72 2508 2504 2565 -138 79 359 S ATOM 425 CE MET A 72 21.322 25.605 8.535 1.00 20.14 C ANISOU 425 CE MET A 72 2550 2536 2565 -182 93 420 C ATOM 0 H MET A 72 19.880 23.772 5.957 1.00 13.66 H new ATOM 0 HA MET A 72 21.666 22.853 7.571 1.00 12.50 H new ATOM 0 HB2 MET A 72 18.933 22.090 7.570 1.00 14.44 H new ATOM 0 HB3 MET A 72 19.914 21.718 8.723 1.00 14.44 H new ATOM 0 HG2 MET A 72 18.996 24.333 8.164 1.00 18.20 H new ATOM 0 HG3 MET A 72 18.586 23.489 9.410 1.00 18.20 H new ATOM 0 HE1 MET A 72 21.770 26.333 8.993 1.00 20.14 H new ATOM 0 HE2 MET A 72 21.953 25.152 7.954 1.00 20.14 H new ATOM 0 HE3 MET A 72 20.591 25.958 8.004 1.00 20.14 H new ATOM 426 N LEU A 73 20.439 20.699 5.557 1.00 12.14 N ANISOU 426 N LEU A 73 1425 1771 1418 -101 92 319 N ATOM 427 CA LEU A 73 20.628 19.383 4.949 1.00 11.41 C ANISOU 427 CA LEU A 73 1304 1736 1297 -90 98 276 C ATOM 428 C LEU A 73 22.016 19.271 4.310 1.00 12.47 C ANISOU 428 C LEU A 73 1411 1925 1404 -119 123 268 C ATOM 429 O LEU A 73 22.731 18.299 4.556 1.00 11.92 O ANISOU 429 O LEU A 73 1313 1876 1337 -111 133 221 O ATOM 430 CB LEU A 73 19.529 19.101 3.926 1.00 11.76 C ANISOU 430 CB LEU A 73 1351 1813 1305 -73 86 285 C ATOM 431 CG LEU A 73 18.163 18.766 4.545 1.00 12.05 C ANISOU 431 CG LEU A 73 1398 1813 1365 -40 63 274 C ATOM 432 CD1 LEU A 73 17.082 18.871 3.488 1.00 13.12 C ANISOU 432 CD1 LEU A 73 1538 1983 1465 -30 48 298 C ATOM 433 CD2 LEU A 73 18.165 17.365 5.122 1.00 13.77 C ANISOU 433 CD2 LEU A 73 1601 2033 1599 -23 62 213 C ATOM 0 H LEU A 73 19.791 21.154 5.222 1.00 12.14 H new ATOM 0 HA LEU A 73 20.568 18.713 5.648 1.00 11.41 H new ATOM 0 HB2 LEU A 73 19.431 19.875 3.350 1.00 11.76 H new ATOM 0 HB3 LEU A 73 19.807 18.362 3.363 1.00 11.76 H new ATOM 0 HG LEU A 73 17.987 19.399 5.259 1.00 12.05 H new ATOM 0 HD11 LEU A 73 16.222 18.659 3.883 1.00 13.12 H new ATOM 0 HD12 LEU A 73 17.061 19.774 3.135 1.00 13.12 H new ATOM 0 HD13 LEU A 73 17.270 18.247 2.769 1.00 13.12 H new ATOM 0 HD21 LEU A 73 17.296 17.172 5.507 1.00 13.77 H new ATOM 0 HD22 LEU A 73 18.355 16.725 4.418 1.00 13.77 H new ATOM 0 HD23 LEU A 73 18.845 17.299 5.810 1.00 13.77 H new ATOM 434 N LYS A 74 22.432 20.291 3.581 1.00 11.36 N ANISOU 434 N LYS A 74 1278 1801 1238 -153 135 316 N ATOM 435 CA LYS A 74 23.700 20.243 2.887 1.00 12.64 C ANISOU 435 CA LYS A 74 1412 2024 1368 -185 161 311 C ATOM 436 C LYS A 74 24.882 20.269 3.840 1.00 12.03 C ANISOU 436 C LYS A 74 1315 1934 1323 -202 173 289 C ATOM 437 O LYS A 74 25.909 19.622 3.596 1.00 12.18 O ANISOU 437 O LYS A 74 1295 2007 1327 -209 192 255 O ATOM 438 CB LYS A 74 23.743 21.468 1.942 1.00 16.42 C ANISOU 438 CB LYS A 74 1909 2517 1812 -223 169 378 C ATOM 439 CG LYS A 74 24.986 21.700 1.142 1.00 24.28 C ANISOU 439 CG LYS A 74 2880 3577 2768 -268 199 389 C ATOM 440 CD LYS A 74 24.872 23.044 0.389 1.00 23.01 C ANISOU 440 CD LYS A 74 2751 3412 2582 -307 202 466 C ATOM 441 CE LYS A 74 25.078 24.280 1.244 1.00 35.37 C ANISOU 441 CE LYS A 74 4348 4900 4192 -334 198 505 C ATOM 442 NZ LYS A 74 25.491 25.452 0.419 1.00 48.08 N ANISOU 442 NZ LYS A 74 5977 6520 5772 -388 212 573 N ATOM 0 H LYS A 74 21.992 21.022 3.476 1.00 11.36 H new ATOM 0 HA LYS A 74 23.770 19.410 2.395 1.00 12.64 H new ATOM 0 HB2 LYS A 74 23.002 21.390 1.322 1.00 16.42 H new ATOM 0 HB3 LYS A 74 23.583 22.261 2.477 1.00 16.42 H new ATOM 0 HG2 LYS A 74 25.761 21.710 1.726 1.00 24.28 H new ATOM 0 HG3 LYS A 74 25.116 20.975 0.511 1.00 24.28 H new ATOM 0 HD2 LYS A 74 25.524 23.053 -0.330 1.00 23.01 H new ATOM 0 HD3 LYS A 74 23.995 23.095 -0.023 1.00 23.01 H new ATOM 0 HE2 LYS A 74 24.257 24.489 1.717 1.00 35.37 H new ATOM 0 HE3 LYS A 74 25.754 24.101 1.916 1.00 35.37 H new ATOM 0 HZ1 LYS A 74 25.604 26.161 0.945 1.00 48.08 H new ATOM 0 HZ2 LYS A 74 26.255 25.267 0.002 1.00 48.08 H new ATOM 0 HZ3 LYS A 74 24.860 25.628 -0.183 1.00 48.08 H new ATOM 443 N LYS A 75 24.769 21.045 4.919 1.00 11.02 N ANISOU 443 N LYS A 75 1210 1739 1238 -209 162 306 N ATOM 444 CA LYS A 75 25.911 21.218 5.801 1.00 11.25 C ANISOU 444 CA LYS A 75 1221 1760 1293 -232 171 289 C ATOM 445 C LYS A 75 26.012 20.222 6.905 1.00 12.46 C ANISOU 445 C LYS A 75 1357 1898 1479 -199 160 238 C ATOM 446 O LYS A 75 27.141 19.918 7.315 1.00 12.76 O ANISOU 446 O LYS A 75 1362 1962 1524 -209 169 212 O ATOM 447 CB LYS A 75 25.848 22.627 6.440 1.00 13.35 C ANISOU 447 CB LYS A 75 1523 1963 1588 -264 166 330 C ATOM 448 CG LYS A 75 26.015 23.756 5.428 1.00 14.79 C ANISOU 448 CG LYS A 75 1723 2153 1741 -307 179 389 C ATOM 449 CD LYS A 75 25.833 25.120 6.108 1.00 20.67 C ANISOU 449 CD LYS A 75 2511 2819 2522 -333 171 426 C ATOM 450 CE LYS A 75 25.739 26.223 5.088 1.00 32.19 C ANISOU 450 CE LYS A 75 4000 4274 3956 -368 179 492 C ATOM 451 NZ LYS A 75 25.709 27.567 5.733 1.00 46.38 N ANISOU 451 NZ LYS A 75 5842 5989 5792 -397 175 526 N ATOM 0 H LYS A 75 24.057 21.468 5.150 1.00 11.02 H new ATOM 0 HA LYS A 75 26.691 21.092 5.239 1.00 11.25 H new ATOM 0 HB2 LYS A 75 24.997 22.732 6.894 1.00 13.35 H new ATOM 0 HB3 LYS A 75 26.541 22.701 7.115 1.00 13.35 H new ATOM 0 HG2 LYS A 75 26.894 23.706 5.022 1.00 14.79 H new ATOM 0 HG3 LYS A 75 25.367 23.656 4.714 1.00 14.79 H new ATOM 0 HD2 LYS A 75 25.030 25.109 6.653 1.00 20.67 H new ATOM 0 HD3 LYS A 75 26.578 25.290 6.705 1.00 20.67 H new ATOM 0 HE2 LYS A 75 26.496 26.171 4.483 1.00 32.19 H new ATOM 0 HE3 LYS A 75 24.939 26.102 4.553 1.00 32.19 H new ATOM 0 HZ1 LYS A 75 25.653 28.196 5.106 1.00 46.38 H new ATOM 0 HZ2 LYS A 75 25.003 27.622 6.272 1.00 46.38 H new ATOM 0 HZ3 LYS A 75 26.453 27.686 6.207 1.00 46.38 H new ATOM 452 N TYR A 76 24.871 19.777 7.473 1.00 10.35 N ANISOU 452 N TYR A 76 1113 1588 1234 -160 138 226 N ATOM 453 CA TYR A 76 24.948 19.064 8.745 1.00 10.52 C ANISOU 453 CA TYR A 76 1127 1581 1290 -136 126 188 C ATOM 454 C TYR A 76 24.436 17.667 8.740 1.00 11.30 C ANISOU 454 C TYR A 76 1216 1690 1388 -94 117 150 C ATOM 455 O TYR A 76 24.604 16.953 9.744 1.00 11.70 O ANISOU 455 O TYR A 76 1260 1721 1465 -74 108 120 O ATOM 456 CB TYR A 76 24.210 19.887 9.834 1.00 12.37 C ANISOU 456 CB TYR A 76 1396 1745 1559 -136 110 206 C ATOM 457 CG TYR A 76 24.683 21.322 9.904 1.00 13.55 C ANISOU 457 CG TYR A 76 1562 1871 1714 -180 117 242 C ATOM 458 CD1 TYR A 76 26.034 21.630 10.099 1.00 13.79 C ANISOU 458 CD1 TYR A 76 1568 1926 1745 -217 131 238 C ATOM 459 CD2 TYR A 76 23.794 22.374 9.753 1.00 14.62 C ANISOU 459 CD2 TYR A 76 1737 1961 1856 -184 111 281 C ATOM 460 CE1 TYR A 76 26.475 22.952 10.131 1.00 16.00 C ANISOU 460 CE1 TYR A 76 1865 2182 2030 -265 139 270 C ATOM 461 CE2 TYR A 76 24.222 23.699 9.799 1.00 16.11 C ANISOU 461 CE2 TYR A 76 1947 2119 2054 -225 118 315 C ATOM 462 CZ TYR A 76 25.560 23.979 9.996 1.00 17.46 C ANISOU 462 CZ TYR A 76 2097 2312 2225 -269 133 309 C ATOM 463 OH TYR A 76 25.978 25.287 10.074 1.00 22.45 O ANISOU 463 OH TYR A 76 2753 2910 2868 -316 140 341 O ATOM 0 H TYR A 76 24.081 19.876 7.148 1.00 10.35 H new ATOM 0 HA TYR A 76 25.896 18.977 8.933 1.00 10.52 H new ATOM 0 HB2 TYR A 76 23.257 19.873 9.654 1.00 12.37 H new ATOM 0 HB3 TYR A 76 24.342 19.465 10.697 1.00 12.37 H new ATOM 0 HD1 TYR A 76 26.648 20.941 10.209 1.00 13.79 H new ATOM 0 HD2 TYR A 76 22.892 22.192 9.618 1.00 14.62 H new ATOM 0 HE1 TYR A 76 27.379 23.142 10.242 1.00 16.00 H new ATOM 0 HE2 TYR A 76 23.610 24.392 9.698 1.00 16.11 H new ATOM 0 HH TYR A 76 25.317 25.784 10.222 1.00 22.45 H new ATOM 464 N SER A 77 23.761 17.237 7.684 1.00 10.68 N ANISOU 464 N SER A 77 1141 1638 1281 -81 119 149 N ATOM 465 CA SER A 77 23.114 15.934 7.739 1.00 10.12 C ANISOU 465 CA SER A 77 1067 1565 1212 -45 109 111 C ATOM 466 C SER A 77 24.033 14.768 7.513 1.00 12.52 C ANISOU 466 C SER A 77 1339 1908 1511 -30 120 66 C ATOM 467 O SER A 77 23.574 13.648 7.697 1.00 11.92 O ANISOU 467 O SER A 77 1264 1819 1444 -1 111 32 O ATOM 468 CB SER A 77 21.910 15.867 6.821 1.00 11.37 C ANISOU 468 CB SER A 77 1240 1733 1344 -37 102 122 C ATOM 469 OG SER A 77 22.398 15.828 5.489 1.00 11.93 O ANISOU 469 OG SER A 77 1295 1867 1372 -51 120 123 O ATOM 0 H SER A 77 23.666 17.668 6.946 1.00 10.68 H new ATOM 0 HA SER A 77 22.811 15.848 8.657 1.00 10.12 H new ATOM 0 HB2 SER A 77 21.377 15.080 7.013 1.00 11.37 H new ATOM 0 HB3 SER A 77 21.336 16.638 6.953 1.00 11.37 H new ATOM 0 HG SER A 77 22.640 16.598 5.256 1.00 11.93 H new ATOM 470 N HIS A 78 25.324 14.993 7.250 1.00 11.45 N ANISOU 470 N HIS A 78 1174 1813 1365 -47 139 63 N ATOM 471 CA HIS A 78 26.277 13.899 7.101 1.00 11.41 C ANISOU 471 CA HIS A 78 1132 1844 1358 -26 150 18 C ATOM 472 C HIS A 78 26.413 13.100 8.418 1.00 13.90 C ANISOU 472 C HIS A 78 1448 2118 1716 5 132 -8 C ATOM 473 O HIS A 78 26.812 11.937 8.380 1.00 14.01 O ANISOU 473 O HIS A 78 1444 2144 1736 37 134 -48 O ATOM 474 CB HIS A 78 27.644 14.471 6.699 1.00 11.93 C ANISOU 474 CB HIS A 78 1161 1965 1406 -55 173 24 C ATOM 475 CG HIS A 78 28.196 15.465 7.680 1.00 12.48 C ANISOU 475 CG HIS A 78 1231 2010 1500 -83 168 52 C ATOM 476 ND1 HIS A 78 28.872 15.044 8.820 1.00 13.02 N ANISOU 476 ND1 HIS A 78 1281 2065 1601 -67 157 30 N ATOM 477 CD2 HIS A 78 28.140 16.818 7.685 1.00 13.89 C ANISOU 477 CD2 HIS A 78 1428 2174 1675 -126 170 97 C ATOM 478 CE1 HIS A 78 29.214 16.145 9.468 1.00 12.99 C ANISOU 478 CE1 HIS A 78 1283 2044 1610 -104 155 59 C ATOM 479 NE2 HIS A 78 28.773 17.233 8.842 1.00 13.88 N ANISOU 479 NE2 HIS A 78 1420 2150 1704 -140 163 98 N ATOM 0 H HIS A 78 25.665 15.777 7.155 1.00 11.45 H new ATOM 0 HA HIS A 78 25.954 13.296 6.413 1.00 11.41 H new ATOM 0 HB2 HIS A 78 28.275 13.741 6.601 1.00 11.93 H new ATOM 0 HB3 HIS A 78 27.565 14.896 5.831 1.00 11.93 H new ATOM 0 HD2 HIS A 78 27.752 17.361 7.037 1.00 13.89 H new ATOM 0 HE1 HIS A 78 29.701 16.157 10.260 1.00 12.99 H new ATOM 0 HE2 HIS A 78 28.865 18.046 9.108 1.00 13.88 H new ATOM 480 N HIS A 79 26.103 13.730 9.567 1.00 11.23 N ANISOU 480 N HIS A 79 1131 1732 1406 -4 116 16 N ATOM 481 CA HIS A 79 26.292 13.086 10.863 1.00 10.64 C ANISOU 481 CA HIS A 79 1055 1623 1366 19 99 -1 C ATOM 482 C HIS A 79 25.481 11.788 10.917 1.00 10.04 C ANISOU 482 C HIS A 79 996 1522 1299 56 88 -29 C ATOM 483 O HIS A 79 24.358 11.739 10.421 1.00 9.98 O ANISOU 483 O HIS A 79 1011 1500 1280 55 85 -24 O ATOM 484 CB HIS A 79 25.934 14.075 11.961 1.00 10.81 C ANISOU 484 CB HIS A 79 1100 1601 1407 -2 85 28 C ATOM 485 CG HIS A 79 26.212 13.556 13.334 1.00 11.00 C ANISOU 485 CG HIS A 79 1122 1598 1459 16 68 16 C ATOM 486 ND1 HIS A 79 25.306 12.746 13.992 1.00 11.15 N ANISOU 486 ND1 HIS A 79 1166 1577 1494 41 51 6 N ATOM 487 CD2 HIS A 79 27.298 13.726 14.112 1.00 12.38 C ANISOU 487 CD2 HIS A 79 1273 1787 1646 9 64 13 C ATOM 488 CE1 HIS A 79 25.854 12.463 15.163 1.00 11.21 C ANISOU 488 CE1 HIS A 79 1165 1572 1520 50 38 1 C ATOM 489 NE2 HIS A 79 27.054 13.024 15.279 1.00 12.08 N ANISOU 489 NE2 HIS A 79 1245 1716 1628 33 43 4 N ATOM 0 H HIS A 79 25.784 14.527 9.608 1.00 11.23 H new ATOM 0 HA HIS A 79 27.219 12.833 10.998 1.00 10.64 H new ATOM 0 HB2 HIS A 79 26.433 14.895 11.825 1.00 10.81 H new ATOM 0 HB3 HIS A 79 24.993 14.300 11.891 1.00 10.81 H new ATOM 0 HD2 HIS A 79 28.060 14.217 13.906 1.00 12.38 H new ATOM 0 HE1 HIS A 79 25.452 11.940 15.819 1.00 11.21 H new ATOM 0 HE2 HIS A 79 27.582 12.962 15.955 1.00 12.08 H new ATOM 490 N ARG A 80 26.005 10.767 11.607 1.00 9.55 N ANISOU 490 N ARG A 80 921 1447 1259 87 79 -54 N ATOM 491 CA ARG A 80 25.372 9.464 11.680 1.00 10.26 C ANISOU 491 CA ARG A 80 1029 1508 1361 119 69 -81 C ATOM 492 C ARG A 80 24.007 9.456 12.357 1.00 11.06 C ANISOU 492 C ARG A 80 1169 1559 1475 114 52 -66 C ATOM 493 O ARG A 80 23.261 8.495 12.140 1.00 13.32 O ANISOU 493 O ARG A 80 1473 1824 1764 129 48 -86 O ATOM 494 CB ARG A 80 26.305 8.420 12.316 1.00 14.58 C ANISOU 494 CB ARG A 80 1557 2050 1933 156 62 -106 C ATOM 495 CG ARG A 80 26.615 8.714 13.766 1.00 18.04 C ANISOU 495 CG ARG A 80 1997 2463 2393 154 43 -85 C ATOM 496 CD ARG A 80 27.640 7.772 14.380 1.00 24.96 C ANISOU 496 CD ARG A 80 2851 3342 3292 192 33 -103 C ATOM 497 NE ARG A 80 27.256 6.376 14.224 1.00 25.24 N ANISOU 497 NE ARG A 80 2903 3344 3341 230 28 -129 N ATOM 498 CZ ARG A 80 26.425 5.725 15.040 1.00 38.92 C ANISOU 498 CZ ARG A 80 4673 5022 5093 239 9 -122 C ATOM 499 NH1 ARG A 80 25.850 6.353 16.056 1.00 19.30 N ANISOU 499 NH1 ARG A 80 2209 2513 2611 215 -5 -91 N ATOM 500 NH2 ARG A 80 26.136 4.458 14.822 1.00 35.42 N ANISOU 500 NH2 ARG A 80 4248 4546 4664 270 5 -147 N ATOM 0 H ARG A 80 26.743 10.821 12.045 1.00 9.55 H new ATOM 0 HA ARG A 80 25.204 9.219 10.757 1.00 10.26 H new ATOM 0 HB2 ARG A 80 25.895 7.543 12.249 1.00 14.58 H new ATOM 0 HB3 ARG A 80 27.134 8.385 11.813 1.00 14.58 H new ATOM 0 HG2 ARG A 80 26.941 9.625 13.840 1.00 18.04 H new ATOM 0 HG3 ARG A 80 25.794 8.664 14.280 1.00 18.04 H new ATOM 0 HD2 ARG A 80 28.504 7.918 13.963 1.00 24.96 H new ATOM 0 HD3 ARG A 80 27.742 7.976 15.323 1.00 24.96 H new ATOM 0 HE ARG A 80 27.588 5.941 13.560 1.00 25.24 H new ATOM 0 HH11 ARG A 80 26.012 7.186 16.193 1.00 19.30 H new ATOM 0 HH12 ARG A 80 25.315 5.927 16.578 1.00 19.30 H new ATOM 0 HH21 ARG A 80 26.484 4.047 14.151 1.00 35.42 H new ATOM 0 HH22 ARG A 80 25.600 4.042 15.350 1.00 35.42 H new ATOM 501 N ASN A 81 23.675 10.466 13.145 1.00 8.80 N ANISOU 501 N ASN A 81 895 1252 1194 92 45 -35 N ATOM 502 CA ASN A 81 22.355 10.514 13.777 1.00 8.90 C ANISOU 502 CA ASN A 81 941 1224 1217 88 31 -23 C ATOM 503 C ASN A 81 21.393 11.487 13.095 1.00 9.04 C ANISOU 503 C ASN A 81 971 1246 1216 67 36 -1 C ATOM 504 O ASN A 81 20.370 11.865 13.685 1.00 9.06 O ANISOU 504 O ASN A 81 995 1221 1227 61 27 13 O ATOM 505 CB ASN A 81 22.472 10.792 15.272 1.00 10.66 C ANISOU 505 CB ASN A 81 1173 1418 1461 84 17 -9 C ATOM 506 CG ASN A 81 23.165 9.663 15.977 1.00 9.99 C ANISOU 506 CG ASN A 81 1080 1323 1394 110 7 -26 C ATOM 507 OD1 ASN A 81 24.226 9.901 16.541 1.00 11.24 O ANISOU 507 OD1 ASN A 81 1219 1496 1558 111 3 -23 O ATOM 508 ND2 ASN A 81 22.620 8.442 15.913 1.00 10.16 N ANISOU 508 ND2 ASN A 81 1116 1321 1422 131 1 -43 N ATOM 0 H ASN A 81 24.190 11.130 13.329 1.00 8.80 H new ATOM 0 HA ASN A 81 21.964 9.634 13.662 1.00 8.90 H new ATOM 0 HB2 ASN A 81 22.963 11.616 15.414 1.00 10.66 H new ATOM 0 HB3 ASN A 81 21.588 10.920 15.651 1.00 10.66 H new ATOM 0 HD21 ASN A 81 23.018 7.774 16.280 1.00 10.16 H new ATOM 0 HD22 ASN A 81 21.872 8.326 15.505 1.00 10.16 H new ATOM 509 N AILE A 82 21.652 11.823 11.840 0.50 9.70 N ANISOU 509 N AILE A 82 1043 1369 1275 59 50 1 N ATOM 510 N BILE A 82 21.722 11.909 11.847 0.50 8.85 N ANISOU 510 N BILE A 82 934 1263 1167 57 51 2 N ATOM 511 CA AILE A 82 20.729 12.639 11.080 0.50 9.46 C ANISOU 511 CA AILE A 82 1024 1347 1224 44 52 24 C ATOM 512 CA BILE A 82 20.886 12.777 11.016 0.50 8.22 C ANISOU 512 CA BILE A 82 864 1193 1065 41 54 27 C ATOM 513 C AILE A 82 20.563 11.928 9.753 0.50 9.76 C ANISOU 513 C AILE A 82 1053 1423 1233 50 60 3 C ATOM 514 C BILE A 82 20.616 12.026 9.699 0.50 9.32 C ANISOU 514 C BILE A 82 996 1369 1175 48 61 5 C ATOM 515 O AILE A 82 21.523 11.372 9.215 0.50 10.12 O ANISOU 515 O AILE A 82 1077 1500 1268 56 73 -20 O ATOM 516 O BILE A 82 21.579 11.572 9.081 0.50 9.83 O ANISOU 516 O BILE A 82 1039 1468 1228 53 74 -16 O ATOM 517 CB AILE A 82 21.242 14.077 10.880 0.50 11.44 C ANISOU 517 CB AILE A 82 1273 1608 1467 19 61 59 C ATOM 518 CB BILE A 82 21.576 14.143 10.719 0.50 9.44 C ANISOU 518 CB BILE A 82 1012 1364 1209 15 65 59 C ATOM 519 CG1AILE A 82 21.533 14.764 12.217 0.50 11.96 C ANISOU 519 CG1AILE A 82 1347 1637 1561 10 54 72 C ATOM 520 CG1BILE A 82 22.208 14.801 11.966 0.50 8.02 C ANISOU 520 CG1BILE A 82 834 1156 1055 4 61 69 C ATOM 521 CG2AILE A 82 20.247 14.897 10.042 0.50 10.60 C ANISOU 521 CG2AILE A 82 1182 1507 1341 10 60 89 C ATOM 522 CG2BILE A 82 20.591 15.107 10.028 0.50 8.70 C ANISOU 522 CG2BILE A 82 937 1269 1098 4 63 93 C ATOM 523 CD1AILE A 82 22.306 16.010 12.079 0.50 11.74 C ANISOU 523 CD1AILE A 82 1315 1617 1529 -19 64 97 C ATOM 524 CD1BILE A 82 21.116 15.305 13.122 0.50 9.08 C ANISOU 524 CD1BILE A 82 999 1239 1214 6 45 83 C ATOM 0 H AILE A 82 22.359 11.587 11.412 0.50 8.85 H new ATOM 0 H BILE A 82 22.459 11.685 11.464 0.50 8.85 H new ATOM 0 HA AILE A 82 19.886 12.736 11.551 0.50 8.22 H new ATOM 0 HA BILE A 82 20.062 12.978 11.486 0.50 8.22 H new ATOM 0 HB AILE A 82 22.080 14.026 10.394 0.50 9.44 H new ATOM 0 HB BILE A 82 22.312 13.951 10.117 0.50 9.44 H new ATOM 0 HG12AILE A 82 20.693 14.960 12.662 0.50 8.02 H new ATOM 0 HG12BILE A 82 22.822 14.170 12.373 0.50 8.02 H new ATOM 0 HG13AILE A 82 22.021 14.151 12.789 0.50 8.02 H new ATOM 0 HG13BILE A 82 22.734 15.565 11.681 0.50 8.02 H new ATOM 0 HG21AILE A 82 20.586 15.798 9.927 0.50 8.70 H new ATOM 0 HG21BILE A 82 21.035 15.951 9.850 0.50 8.70 H new ATOM 0 HG22AILE A 82 20.135 14.481 9.173 0.50 8.70 H new ATOM 0 HG22BILE A 82 20.290 14.718 9.192 0.50 8.70 H new ATOM 0 HG23AILE A 82 19.391 14.930 10.497 0.50 8.70 H new ATOM 0 HG23BILE A 82 19.827 15.259 10.607 0.50 8.70 H new ATOM 0 HD11AILE A 82 22.457 16.396 12.956 0.50 9.08 H new ATOM 0 HD11BILE A 82 21.593 15.704 13.866 0.50 9.08 H new ATOM 0 HD12AILE A 82 23.159 15.817 11.659 0.50 9.08 H new ATOM 0 HD12BILE A 82 20.515 15.961 12.735 0.50 9.08 H new ATOM 0 HD13AILE A 82 21.811 16.639 11.531 0.50 9.08 H new ATOM 0 HD13BILE A 82 20.604 14.544 13.438 0.50 9.08 H new ATOM 525 N ALA A 83 19.346 11.927 9.220 1.00 9.75 N ANISOU 525 N ALA A 83 1065 1423 1217 49 53 8 N ATOM 526 CA ALA A 83 19.115 11.293 7.904 1.00 9.23 C ANISOU 526 CA ALA A 83 990 1399 1117 50 59 -14 C ATOM 527 C ALA A 83 19.846 12.108 6.834 1.00 10.13 C ANISOU 527 C ALA A 83 1089 1563 1198 34 75 6 C ATOM 528 O ALA A 83 19.683 13.327 6.731 1.00 10.45 O ANISOU 528 O ALA A 83 1136 1603 1230 18 74 49 O ATOM 529 CB ALA A 83 17.632 11.249 7.593 1.00 9.97 C ANISOU 529 CB ALA A 83 1097 1491 1200 48 45 -8 C ATOM 0 H AALA A 83 18.650 12.276 9.585 0.50 9.75 H new ATOM 0 H BALA A 83 18.641 12.208 9.625 0.50 9.75 H new ATOM 0 HA ALA A 83 19.451 10.383 7.918 1.00 9.23 H new ATOM 0 HB1 ALA A 83 17.495 10.831 6.728 1.00 9.97 H new ATOM 0 HB2 ALA A 83 17.173 10.736 8.276 1.00 9.97 H new ATOM 0 HB3 ALA A 83 17.278 12.152 7.575 1.00 9.97 H new ATOM 530 N THR A 84 20.737 11.432 6.091 1.00 9.64 N ANISOU 530 N THR A 84 1005 1541 1116 37 91 -26 N ATOM 531 CA THR A 84 21.668 12.130 5.204 1.00 9.50 C ANISOU 531 CA THR A 84 968 1575 1066 18 111 -10 C ATOM 532 C THR A 84 21.014 12.681 3.957 1.00 10.19 C ANISOU 532 C THR A 84 1060 1705 1106 1 113 14 C ATOM 533 O THR A 84 20.296 11.963 3.263 1.00 10.54 O ANISOU 533 O THR A 84 1107 1771 1128 8 108 -11 O ATOM 534 CB THR A 84 22.783 11.188 4.793 1.00 10.46 C ANISOU 534 CB THR A 84 1062 1733 1180 32 130 -57 C ATOM 535 OG1 THR A 84 23.396 10.677 5.993 1.00 11.98 O ANISOU 535 OG1 THR A 84 1250 1886 1417 52 124 -75 O ATOM 536 CG2 THR A 84 23.851 11.849 3.903 1.00 12.33 C ANISOU 536 CG2 THR A 84 1271 2032 1380 9 155 -44 C ATOM 0 H THR A 84 20.814 10.575 6.089 1.00 9.64 H new ATOM 0 HA THR A 84 22.011 12.885 5.707 1.00 9.50 H new ATOM 0 HB THR A 84 22.392 10.479 4.258 1.00 10.46 H new ATOM 0 HG1 THR A 84 23.939 10.068 5.793 1.00 11.98 H new ATOM 0 HG21 THR A 84 24.532 11.197 3.676 1.00 12.33 H new ATOM 0 HG22 THR A 84 23.436 12.179 3.090 1.00 12.33 H new ATOM 0 HG23 THR A 84 24.258 12.588 4.381 1.00 12.33 H new ATOM 537 N TYR A 85 21.338 13.926 3.630 1.00 10.02 N ANISOU 537 N TYR A 85 1039 1699 1067 -23 120 62 N ATOM 538 CA TYR A 85 20.887 14.566 2.403 1.00 10.31 C ANISOU 538 CA TYR A 85 1080 1781 1055 -42 122 95 C ATOM 539 C TYR A 85 21.612 14.000 1.186 1.00 11.92 C ANISOU 539 C TYR A 85 1258 2060 1211 -50 144 65 C ATOM 540 O TYR A 85 22.848 13.817 1.203 1.00 11.35 O ANISOU 540 O TYR A 85 1162 2012 1139 -55 166 45 O ATOM 541 CB TYR A 85 21.193 16.042 2.549 1.00 11.65 C ANISOU 541 CB TYR A 85 1262 1936 1229 -67 124 156 C ATOM 542 CG TYR A 85 20.871 16.943 1.383 1.00 12.10 C ANISOU 542 CG TYR A 85 1329 2032 1239 -88 125 207 C ATOM 543 CD1 TYR A 85 19.559 17.095 0.931 1.00 12.94 C ANISOU 543 CD1 TYR A 85 1451 2138 1327 -76 104 229 C ATOM 544 CD2 TYR A 85 21.844 17.760 0.826 1.00 13.91 C ANISOU 544 CD2 TYR A 85 1551 2293 1442 -123 146 240 C ATOM 545 CE1 TYR A 85 19.233 18.034 -0.047 1.00 14.88 C ANISOU 545 CE1 TYR A 85 1708 2414 1532 -93 101 285 C ATOM 546 CE2 TYR A 85 21.528 18.693 -0.155 1.00 15.80 C ANISOU 546 CE2 TYR A 85 1804 2560 1640 -144 145 297 C ATOM 547 CZ TYR A 85 20.221 18.843 -0.560 1.00 18.92 C ANISOU 547 CZ TYR A 85 2218 2951 2020 -127 121 322 C ATOM 548 OH TYR A 85 19.955 19.770 -1.541 1.00 24.07 O ANISOU 548 OH TYR A 85 2885 3632 2629 -146 118 384 O ATOM 0 H TYR A 85 21.833 14.429 4.122 1.00 10.02 H new ATOM 0 HA TYR A 85 19.940 14.409 2.267 1.00 10.31 H new ATOM 0 HB2 TYR A 85 20.711 16.372 3.323 1.00 11.65 H new ATOM 0 HB3 TYR A 85 22.139 16.133 2.744 1.00 11.65 H new ATOM 0 HD1 TYR A 85 18.889 16.559 1.289 1.00 12.94 H new ATOM 0 HD2 TYR A 85 22.725 17.682 1.114 1.00 13.91 H new ATOM 0 HE1 TYR A 85 18.357 18.113 -0.349 1.00 14.88 H new ATOM 0 HE2 TYR A 85 22.197 19.214 -0.536 1.00 15.80 H new ATOM 0 HH TYR A 85 20.669 20.150 -1.769 1.00 24.07 H new ATOM 549 N TYR A 86 20.843 13.759 0.119 1.00 11.81 N ANISOU 549 N TYR A 86 1247 2089 1151 -52 139 62 N ATOM 550 CA TYR A 86 21.351 13.250 -1.165 1.00 12.89 C ANISOU 550 CA TYR A 86 1362 2306 1231 -62 160 32 C ATOM 551 C TYR A 86 21.293 14.285 -2.269 1.00 17.66 C ANISOU 551 C TYR A 86 1968 2965 1778 -93 166 88 C ATOM 552 O TYR A 86 21.916 14.097 -3.323 1.00 19.63 O ANISOU 552 O TYR A 86 2196 3288 1974 -109 188 73 O ATOM 553 CB TYR A 86 20.557 12.013 -1.643 1.00 13.47 C ANISOU 553 CB TYR A 86 1435 2396 1288 -45 152 -24 C ATOM 554 CG TYR A 86 20.631 10.777 -0.775 1.00 12.73 C ANISOU 554 CG TYR A 86 1341 2254 1243 -16 149 -85 C ATOM 555 CD1 TYR A 86 21.637 10.617 0.186 1.00 14.91 C ANISOU 555 CD1 TYR A 86 1608 2494 1565 -3 159 -97 C ATOM 556 CD2 TYR A 86 19.733 9.727 -0.957 1.00 14.25 C ANISOU 556 CD2 TYR A 86 1541 2439 1433 -4 136 -130 C ATOM 557 CE1 TYR A 86 21.726 9.442 0.952 1.00 14.96 C ANISOU 557 CE1 TYR A 86 1616 2455 1614 26 154 -148 C ATOM 558 CE2 TYR A 86 19.842 8.544 -0.239 1.00 14.79 C ANISOU 558 CE2 TYR A 86 1613 2460 1545 20 135 -184 C ATOM 559 CZ TYR A 86 20.826 8.403 0.723 1.00 16.01 C ANISOU 559 CZ TYR A 86 1762 2577 1746 37 143 -191 C ATOM 560 OH TYR A 86 20.871 7.228 1.450 1.00 15.73 O ANISOU 560 OH TYR A 86 1734 2490 1753 63 138 -237 O ATOM 0 H TYR A 86 19.993 13.889 0.120 1.00 11.81 H new ATOM 0 HA TYR A 86 22.276 13.014 -0.994 1.00 12.89 H new ATOM 0 HB2 TYR A 86 19.625 12.267 -1.728 1.00 13.47 H new ATOM 0 HB3 TYR A 86 20.869 11.778 -2.531 1.00 13.47 H new ATOM 0 HD1 TYR A 86 22.256 11.299 0.319 1.00 14.91 H new ATOM 0 HD2 TYR A 86 19.044 9.821 -1.574 1.00 14.25 H new ATOM 0 HE1 TYR A 86 22.381 9.358 1.607 1.00 14.96 H new ATOM 0 HE2 TYR A 86 19.252 7.845 -0.405 1.00 14.79 H new ATOM 0 HH TYR A 86 21.560 7.222 1.930 1.00 15.73 H new ATOM 561 N GLY A 87 20.585 15.364 -2.073 1.00 14.60 N ANISOU 561 N GLY A 87 1604 2545 1397 -100 146 152 N ATOM 562 CA GLY A 87 20.531 16.395 -3.091 1.00 15.65 C ANISOU 562 CA GLY A 87 1744 2724 1478 -128 149 213 C ATOM 563 C GLY A 87 19.141 16.922 -3.328 1.00 16.76 C ANISOU 563 C GLY A 87 1909 2852 1609 -118 117 258 C ATOM 564 O GLY A 87 18.176 16.413 -2.734 1.00 16.43 O ANISOU 564 O GLY A 87 1873 2771 1597 -91 95 235 O ATOM 0 H GLY A 87 20.127 15.527 -1.364 1.00 14.60 H new ATOM 0 HA2 GLY A 87 21.109 17.129 -2.830 1.00 15.65 H new ATOM 0 HA3 GLY A 87 20.882 16.039 -3.922 1.00 15.65 H new ATOM 565 N ALA A 88 19.019 17.954 -4.171 1.00 17.32 N ANISOU 565 N ALA A 88 1991 2953 1636 -140 115 325 N ATOM 566 CA ALA A 88 17.769 18.640 -4.492 1.00 16.78 C ANISOU 566 CA ALA A 88 1944 2878 1554 -128 83 380 C ATOM 567 C ALA A 88 17.536 18.715 -5.980 1.00 18.26 C ANISOU 567 C ALA A 88 2124 3154 1658 -145 81 405 C ATOM 568 O ALA A 88 18.489 18.784 -6.750 1.00 20.39 O ANISOU 568 O ALA A 88 2382 3482 1881 -176 108 409 O ATOM 569 CB ALA A 88 17.774 20.042 -3.920 1.00 18.34 C ANISOU 569 CB ALA A 88 2171 3008 1788 -132 76 452 C ATOM 0 H ALA A 88 19.695 18.285 -4.588 1.00 17.32 H new ATOM 0 HA ALA A 88 17.051 18.123 -4.095 1.00 16.78 H new ATOM 0 HB1 ALA A 88 16.940 20.485 -4.141 1.00 18.34 H new ATOM 0 HB2 ALA A 88 17.871 19.998 -2.956 1.00 18.34 H new ATOM 0 HB3 ALA A 88 18.514 20.543 -4.297 1.00 18.34 H new ATOM 570 N PHE A 89 16.273 18.684 -6.387 1.00 16.85 N ANISOU 570 N PHE A 89 1950 2994 1458 -126 50 421 N ATOM 571 CA PHE A 89 15.869 18.700 -7.782 1.00 17.76 C ANISOU 571 CA PHE A 89 2058 3200 1490 -139 41 443 C ATOM 572 C PHE A 89 14.713 19.623 -7.933 1.00 19.30 C ANISOU 572 C PHE A 89 2272 3380 1682 -120 4 516 C ATOM 573 O PHE A 89 14.025 19.939 -6.970 1.00 17.55 O ANISOU 573 O PHE A 89 2062 3084 1521 -90 -16 528 O ATOM 574 CB PHE A 89 15.508 17.287 -8.272 1.00 19.61 C ANISOU 574 CB PHE A 89 2266 3495 1691 -135 40 361 C ATOM 575 CG PHE A 89 16.636 16.296 -8.165 1.00 21.31 C ANISOU 575 CG PHE A 89 2462 3725 1911 -147 77 283 C ATOM 576 CD1 PHE A 89 16.868 15.603 -6.975 1.00 23.87 C ANISOU 576 CD1 PHE A 89 2784 3979 2307 -127 83 228 C ATOM 577 CD2 PHE A 89 17.506 16.088 -9.236 1.00 24.19 C ANISOU 577 CD2 PHE A 89 2810 4174 2208 -176 105 268 C ATOM 578 CE1 PHE A 89 17.916 14.683 -6.876 1.00 26.43 C ANISOU 578 CE1 PHE A 89 3089 4314 2638 -131 114 159 C ATOM 579 CE2 PHE A 89 18.562 15.177 -9.131 1.00 28.08 C ANISOU 579 CE2 PHE A 89 3280 4680 2708 -180 140 194 C ATOM 580 CZ PHE A 89 18.776 14.500 -7.944 1.00 26.22 C ANISOU 580 CZ PHE A 89 3044 4371 2549 -155 143 142 C ATOM 0 H PHE A 89 15.609 18.652 -5.841 1.00 16.85 H new ATOM 0 HA PHE A 89 16.609 19.011 -8.327 1.00 17.76 H new ATOM 0 HB2 PHE A 89 14.752 16.960 -7.759 1.00 19.61 H new ATOM 0 HB3 PHE A 89 15.222 17.339 -9.197 1.00 19.61 H new ATOM 0 HD1 PHE A 89 16.319 15.755 -6.240 1.00 23.87 H new ATOM 0 HD2 PHE A 89 17.382 16.560 -10.028 1.00 24.19 H new ATOM 0 HE1 PHE A 89 18.035 14.195 -6.093 1.00 26.43 H new ATOM 0 HE2 PHE A 89 19.120 15.026 -9.859 1.00 28.08 H new ATOM 0 HZ PHE A 89 19.499 13.921 -7.864 1.00 26.22 H new ATOM 581 N ILE A 90 14.538 20.113 -9.178 1.00 20.72 N ANISOU 581 N ILE A 90 2454 3634 1787 -136 -5 570 N ATOM 582 CA ILE A 90 13.455 21.024 -9.496 1.00 22.27 C ANISOU 582 CA ILE A 90 2667 3825 1971 -114 -44 648 C ATOM 583 C ILE A 90 12.675 20.524 -10.693 1.00 24.71 C ANISOU 583 C ILE A 90 2954 4236 2198 -116 -66 642 C ATOM 584 O ILE A 90 13.270 20.103 -11.681 1.00 27.05 O ANISOU 584 O ILE A 90 3238 4618 2424 -149 -47 623 O ATOM 585 CB ILE A 90 13.962 22.498 -9.658 1.00 28.21 C ANISOU 585 CB ILE A 90 3453 4542 2723 -130 -39 747 C ATOM 586 CG1 ILE A 90 12.817 23.520 -9.626 1.00 31.61 C ANISOU 586 CG1 ILE A 90 3906 4936 3167 -93 -81 827 C ATOM 587 CG2 ILE A 90 14.850 22.699 -10.881 1.00 32.50 C ANISOU 587 CG2 ILE A 90 3995 5169 3184 -178 -15 777 C ATOM 588 CD1 ILE A 90 12.706 24.246 -8.272 1.00 36.64 C ANISOU 588 CD1 ILE A 90 4572 5452 3898 -68 -84 849 C ATOM 0 H ILE A 90 15.046 19.920 -9.845 1.00 20.72 H new ATOM 0 HA ILE A 90 12.839 21.044 -8.747 1.00 22.27 H new ATOM 0 HB ILE A 90 14.520 22.662 -8.882 1.00 28.21 H new ATOM 0 HG12 ILE A 90 12.953 24.174 -10.329 1.00 31.61 H new ATOM 0 HG13 ILE A 90 11.980 23.068 -9.816 1.00 31.61 H new ATOM 0 HG21 ILE A 90 15.131 23.626 -10.928 1.00 32.50 H new ATOM 0 HG22 ILE A 90 15.631 22.128 -10.812 1.00 32.50 H new ATOM 0 HG23 ILE A 90 14.353 22.471 -11.683 1.00 32.50 H new ATOM 0 HD11 ILE A 90 11.971 24.878 -8.303 1.00 36.64 H new ATOM 0 HD12 ILE A 90 12.545 23.597 -7.569 1.00 36.64 H new ATOM 0 HD13 ILE A 90 13.532 24.720 -8.090 1.00 36.64 H new ATOM 589 N LYS A 91 11.355 20.536 -10.576 1.00 21.26 N ANISOU 589 N LYS A 91 2511 3796 1771 -81 -106 653 N ATOM 590 CA LYS A 91 10.467 20.233 -11.709 1.00 22.11 C ANISOU 590 CA LYS A 91 2599 4003 1800 -81 -136 659 C ATOM 591 C LYS A 91 9.956 21.605 -12.106 1.00 24.20 C ANISOU 591 C LYS A 91 2886 4261 2048 -62 -166 772 C ATOM 592 O LYS A 91 9.219 22.239 -11.331 1.00 24.63 O ANISOU 592 O LYS A 91 2952 4243 2164 -21 -190 808 O ATOM 593 CB LYS A 91 9.266 19.368 -11.276 1.00 23.82 C ANISOU 593 CB LYS A 91 2789 4222 2040 -53 -163 600 C ATOM 594 CG LYS A 91 9.557 18.145 -10.399 1.00 39.29 C ANISOU 594 CG LYS A 91 4736 6143 4050 -58 -140 497 C ATOM 595 CD LYS A 91 9.574 16.825 -11.151 1.00 35.08 C ANISOU 595 CD LYS A 91 4176 5692 3459 -85 -131 413 C ATOM 596 CE LYS A 91 8.268 16.415 -11.793 1.00 30.36 C ANISOU 596 CE LYS A 91 3554 5167 2815 -79 -171 401 C ATOM 597 NZ LYS A 91 8.532 15.770 -13.097 1.00 29.95 N ANISOU 597 NZ LYS A 91 3486 5225 2670 -114 -163 364 N ATOM 0 H LYS A 91 10.942 20.718 -9.844 1.00 21.26 H new ATOM 0 HA LYS A 91 10.923 19.744 -12.412 1.00 22.11 H new ATOM 0 HB2 LYS A 91 8.643 19.938 -10.798 1.00 23.82 H new ATOM 0 HB3 LYS A 91 8.813 19.061 -12.077 1.00 23.82 H new ATOM 0 HG2 LYS A 91 10.416 18.269 -9.965 1.00 39.29 H new ATOM 0 HG3 LYS A 91 8.889 18.097 -9.698 1.00 39.29 H new ATOM 0 HD2 LYS A 91 10.253 16.875 -11.842 1.00 35.08 H new ATOM 0 HD3 LYS A 91 9.846 16.126 -10.536 1.00 35.08 H new ATOM 0 HE2 LYS A 91 7.790 15.804 -11.211 1.00 30.36 H new ATOM 0 HE3 LYS A 91 7.700 17.192 -11.916 1.00 30.36 H new ATOM 0 HZ1 LYS A 91 7.760 15.609 -13.510 1.00 29.95 H new ATOM 0 HZ2 LYS A 91 9.031 16.309 -13.600 1.00 29.95 H new ATOM 0 HZ3 LYS A 91 8.964 15.003 -12.967 1.00 29.95 H new ATOM 598 N LYS A 92 10.409 22.106 -13.271 1.00 25.45 N ANISOU 598 N LYS A 92 3053 4490 2127 -92 -162 830 N ATOM 599 CA LYS A 92 10.023 23.424 -13.742 1.00 26.66 C ANISOU 599 CA LYS A 92 3233 4635 2260 -77 -190 945 C ATOM 600 C LYS A 92 8.648 23.377 -14.365 1.00 31.23 C ANISOU 600 C LYS A 92 3791 5281 2794 -45 -241 969 C ATOM 601 O LYS A 92 8.344 22.479 -15.145 1.00 32.81 O ANISOU 601 O LYS A 92 3960 5582 2926 -62 -248 919 O ATOM 602 CB LYS A 92 11.041 23.969 -14.767 1.00 30.55 C ANISOU 602 CB LYS A 92 3745 5184 2680 -126 -166 1003 C ATOM 0 H LYS A 92 10.944 21.685 -13.797 1.00 25.45 H new ATOM 0 HA LYS A 92 10.008 24.020 -12.977 1.00 26.66 H new ATOM 603 N ASN A 93 7.817 24.329 -13.996 1.00 29.88 N ANISOU 603 N ASN A 93 3636 5053 2664 2 -276 1040 N ATOM 604 CA ASN A 93 6.487 24.464 -14.575 1.00 30.87 C ANISOU 604 CA ASN A 93 3739 5240 2750 39 -329 1077 C ATOM 605 C ASN A 93 6.409 25.770 -15.362 1.00 37.55 C ANISOU 605 C ASN A 93 4617 6093 3556 50 -354 1205 C ATOM 606 O ASN A 93 7.217 26.666 -15.101 1.00 34.14 O ANISOU 606 O ASN A 93 4230 5585 3158 39 -332 1262 O ATOM 607 CB ASN A 93 5.417 24.304 -13.503 1.00 30.53 C ANISOU 607 CB ASN A 93 3677 5137 2787 93 -353 1043 C ATOM 608 CG ASN A 93 5.460 22.900 -12.939 1.00 50.62 C ANISOU 608 CG ASN A 93 6189 7691 5353 73 -331 921 C ATOM 609 OD1 ASN A 93 5.548 21.905 -13.678 1.00 47.38 O ANISOU 609 OD1 ASN A 93 5754 7373 4877 37 -325 863 O ATOM 610 ND2 ASN A 93 5.463 22.787 -11.621 1.00 39.08 N ANISOU 610 ND2 ASN A 93 4733 6133 3984 93 -317 880 N ATOM 0 H ASN A 93 8.004 24.921 -13.400 1.00 29.88 H new ATOM 0 HA ASN A 93 6.314 23.751 -15.210 1.00 30.87 H new ATOM 0 HB2 ASN A 93 5.559 24.951 -12.794 1.00 30.53 H new ATOM 0 HB3 ASN A 93 4.541 24.483 -13.879 1.00 30.53 H new ATOM 0 HD21 ASN A 93 5.527 22.011 -11.256 1.00 39.08 H new ATOM 0 HD22 ASN A 93 5.401 23.490 -11.129 1.00 39.08 H new ATOM 611 N PRO A 94 5.499 25.888 -16.361 1.00 39.41 N ANISOU 611 N PRO A 94 4833 6424 3716 67 -400 1253 N ATOM 612 CA PRO A 94 5.467 27.102 -17.192 1.00 41.60 C ANISOU 612 CA PRO A 94 5144 6715 3948 76 -425 1381 C ATOM 613 C PRO A 94 5.270 28.419 -16.429 1.00 48.33 C ANISOU 613 C PRO A 94 6040 7437 4887 126 -439 1465 C ATOM 614 O PRO A 94 4.839 28.377 -15.272 1.00 46.65 O ANISOU 614 O PRO A 94 5821 7138 4765 167 -439 1422 O ATOM 615 CB PRO A 94 4.307 26.829 -18.159 1.00 44.13 C ANISOU 615 CB PRO A 94 5425 7155 4189 99 -479 1400 C ATOM 616 CG PRO A 94 4.218 25.373 -18.231 1.00 47.66 C ANISOU 616 CG PRO A 94 5825 7681 4604 68 -465 1279 C ATOM 617 CD PRO A 94 4.512 24.902 -16.843 1.00 42.20 C ANISOU 617 CD PRO A 94 5133 6883 4017 74 -431 1194 C ATOM 0 HA PRO A 94 6.325 27.246 -17.621 1.00 41.60 H new ATOM 0 HB2 PRO A 94 3.479 27.217 -17.835 1.00 44.13 H new ATOM 0 HB3 PRO A 94 4.478 27.215 -19.032 1.00 44.13 H new ATOM 0 HG2 PRO A 94 3.337 25.088 -18.520 1.00 47.66 H new ATOM 0 HG3 PRO A 94 4.855 25.013 -18.867 1.00 47.66 H new ATOM 0 HD2 PRO A 94 3.715 24.892 -16.291 1.00 42.20 H new ATOM 0 HD3 PRO A 94 4.872 24.001 -16.838 1.00 42.20 H new ATOM 618 N PRO A 95 5.562 29.600 -17.043 1.00 47.90 N ANISOU 618 N PRO A 95 6032 7364 4806 124 -449 1584 N ATOM 619 CA PRO A 95 5.357 30.875 -16.322 1.00 48.76 C ANISOU 619 CA PRO A 95 6187 7338 5001 173 -462 1661 C ATOM 620 C PRO A 95 3.954 31.024 -15.729 1.00 54.19 C ANISOU 620 C PRO A 95 6849 7995 5745 258 -509 1660 C ATOM 621 O PRO A 95 2.971 30.607 -16.342 1.00 54.55 O ANISOU 621 O PRO A 95 6852 8140 5736 286 -551 1661 O ATOM 622 CB PRO A 95 5.648 31.946 -17.382 1.00 51.72 C ANISOU 622 CB PRO A 95 6607 7729 5313 157 -477 1793 C ATOM 623 CG PRO A 95 5.659 31.231 -18.686 1.00 56.64 C ANISOU 623 CG PRO A 95 7198 8512 5811 116 -485 1789 C ATOM 624 CD PRO A 95 6.092 29.841 -18.401 1.00 51.07 C ANISOU 624 CD PRO A 95 6448 7860 5097 75 -448 1653 C ATOM 0 HA PRO A 95 5.935 30.941 -15.546 1.00 48.76 H new ATOM 0 HB2 PRO A 95 4.970 32.640 -17.371 1.00 51.72 H new ATOM 0 HB3 PRO A 95 6.500 32.379 -17.215 1.00 51.72 H new ATOM 0 HG2 PRO A 95 4.779 31.242 -19.093 1.00 56.64 H new ATOM 0 HG3 PRO A 95 6.265 31.660 -19.310 1.00 56.64 H new ATOM 0 HD2 PRO A 95 5.729 29.213 -19.045 1.00 51.07 H new ATOM 0 HD3 PRO A 95 7.057 29.752 -18.431 1.00 51.07 H new ATOM 625 N GLY A 96 3.893 31.557 -14.512 1.00 51.43 N ANISOU 625 N GLY A 96 6522 7515 5503 297 -499 1650 N ATOM 626 CA GLY A 96 2.647 31.726 -13.771 1.00 51.82 C ANISOU 626 CA GLY A 96 6547 7523 5618 378 -535 1639 C ATOM 627 C GLY A 96 2.340 30.555 -12.856 1.00 56.49 C ANISOU 627 C GLY A 96 7090 8123 6252 377 -517 1512 C ATOM 628 O GLY A 96 1.545 30.688 -11.918 1.00 56.80 O ANISOU 628 O GLY A 96 7115 8099 6366 434 -529 1486 O ATOM 0 H GLY A 96 4.587 31.835 -14.087 1.00 51.43 H new ATOM 0 HA2 GLY A 96 2.698 32.538 -13.243 1.00 51.82 H new ATOM 0 HA3 GLY A 96 1.916 31.841 -14.398 1.00 51.82 H new ATOM 629 N MET A 97 2.975 29.396 -13.125 1.00 51.68 N ANISOU 629 N MET A 97 6455 7589 5592 313 -488 1432 N ATOM 630 CA MET A 97 2.816 28.160 -12.367 1.00 50.08 C ANISOU 630 CA MET A 97 6211 7399 5420 301 -468 1312 C ATOM 631 C MET A 97 4.045 27.955 -11.486 1.00 49.21 C ANISOU 631 C MET A 97 6129 7204 5365 258 -412 1259 C ATOM 632 O MET A 97 5.168 28.215 -11.924 1.00 47.74 O ANISOU 632 O MET A 97 5976 7013 5150 210 -384 1287 O ATOM 633 CB MET A 97 2.636 26.970 -13.317 1.00 53.01 C ANISOU 633 CB MET A 97 6535 7909 5699 262 -475 1257 C ATOM 634 CG MET A 97 1.534 27.181 -14.345 1.00 58.35 C ANISOU 634 CG MET A 97 7180 8685 6305 295 -531 1314 C ATOM 635 SD MET A 97 1.177 25.720 -15.331 1.00 63.43 S ANISOU 635 SD MET A 97 7764 9489 6846 248 -542 1233 S ATOM 636 CE MET A 97 0.660 24.672 -14.086 1.00 59.08 C ANISOU 636 CE MET A 97 7177 8898 6373 256 -526 1113 C ATOM 0 H MET A 97 3.527 29.317 -13.779 1.00 51.68 H new ATOM 0 HA MET A 97 2.025 28.223 -11.809 1.00 50.08 H new ATOM 0 HB2 MET A 97 3.473 26.804 -13.779 1.00 53.01 H new ATOM 0 HB3 MET A 97 2.436 26.176 -12.797 1.00 53.01 H new ATOM 0 HG2 MET A 97 0.725 27.459 -13.888 1.00 58.35 H new ATOM 0 HG3 MET A 97 1.789 27.906 -14.936 1.00 58.35 H new ATOM 0 HE1 MET A 97 0.047 24.014 -14.450 1.00 59.08 H new ATOM 0 HE2 MET A 97 1.428 24.221 -13.703 1.00 59.08 H new ATOM 0 HE3 MET A 97 0.210 25.185 -13.397 1.00 59.08 H new ATOM 637 N ASP A 98 3.829 27.513 -10.242 1.00 42.67 N ANISOU 637 N ASP A 98 5287 6313 4613 276 -398 1183 N ATOM 638 CA ASP A 98 4.912 27.282 -9.288 1.00 40.64 C ANISOU 638 CA ASP A 98 5052 5977 4412 241 -349 1129 C ATOM 639 C ASP A 98 5.747 26.074 -9.660 1.00 38.67 C ANISOU 639 C ASP A 98 4784 5796 4115 179 -317 1054 C ATOM 640 O ASP A 98 5.199 25.045 -10.053 1.00 38.13 O ANISOU 640 O ASP A 98 4673 5810 4004 172 -329 998 O ATOM 641 CB ASP A 98 4.348 27.078 -7.873 1.00 42.20 C ANISOU 641 CB ASP A 98 5237 6099 4698 279 -346 1070 C ATOM 642 CG ASP A 98 3.853 28.331 -7.178 1.00 57.50 C ANISOU 642 CG ASP A 98 7204 7938 6706 336 -362 1127 C ATOM 643 OD1 ASP A 98 4.303 29.441 -7.552 1.00 60.07 O ANISOU 643 OD1 ASP A 98 7575 8218 7031 337 -363 1210 O ATOM 644 OD2 ASP A 98 3.033 28.203 -6.242 1.00 63.27 O ANISOU 644 OD2 ASP A 98 7913 8634 7493 379 -370 1088 O ATOM 0 H ASP A 98 3.047 27.339 -9.930 1.00 42.67 H new ATOM 0 HA ASP A 98 5.479 28.069 -9.311 1.00 40.64 H new ATOM 0 HB2 ASP A 98 3.615 26.444 -7.923 1.00 42.20 H new ATOM 0 HB3 ASP A 98 5.037 26.673 -7.323 1.00 42.20 H new ATOM 645 N ASP A 99 7.072 26.176 -9.489 1.00 31.91 N ANISOU 645 N ASP A 99 3956 4900 3268 133 -276 1048 N ATOM 646 CA ASP A 99 7.942 25.025 -9.722 1.00 28.96 C ANISOU 646 CA ASP A 99 3564 4582 2859 81 -241 971 C ATOM 647 C ASP A 99 7.883 24.148 -8.455 1.00 28.96 C ANISOU 647 C ASP A 99 3546 4530 2929 89 -225 877 C ATOM 648 O ASP A 99 7.474 24.611 -7.385 1.00 28.81 O ANISOU 648 O ASP A 99 3537 4425 2983 125 -231 881 O ATOM 649 CB ASP A 99 9.395 25.452 -9.979 1.00 30.37 C ANISOU 649 CB ASP A 99 3772 4743 3023 30 -202 998 C ATOM 650 CG ASP A 99 9.622 26.373 -11.163 1.00 39.50 C ANISOU 650 CG ASP A 99 4953 5942 4112 12 -212 1096 C ATOM 651 OD1 ASP A 99 8.894 26.237 -12.175 1.00 40.21 O ANISOU 651 OD1 ASP A 99 5025 6122 4131 21 -243 1123 O ATOM 652 OD2 ASP A 99 10.543 27.216 -11.087 1.00 44.75 O ANISOU 652 OD2 ASP A 99 5655 6554 4792 -15 -189 1147 O ATOM 0 H ASP A 99 7.478 26.893 -9.242 1.00 31.91 H new ATOM 0 HA ASP A 99 7.640 24.545 -10.509 1.00 28.96 H new ATOM 0 HB2 ASP A 99 9.729 25.892 -9.182 1.00 30.37 H new ATOM 0 HB3 ASP A 99 9.930 24.653 -10.107 1.00 30.37 H new ATOM 653 N GLN A 100 8.244 22.885 -8.600 1.00 22.23 N ANISOU 653 N GLN A 100 2666 3731 2050 59 -205 795 N ATOM 654 CA GLN A 100 8.251 21.959 -7.487 1.00 21.98 C ANISOU 654 CA GLN A 100 2619 3655 2076 62 -189 709 C ATOM 655 C GLN A 100 9.673 21.628 -7.144 1.00 21.12 C ANISOU 655 C GLN A 100 2523 3518 1983 24 -146 671 C ATOM 656 O GLN A 100 10.465 21.326 -8.022 1.00 20.87 O ANISOU 656 O GLN A 100 2487 3548 1894 -12 -126 664 O ATOM 657 CB GLN A 100 7.562 20.657 -7.848 1.00 24.68 C ANISOU 657 CB GLN A 100 2922 4071 2383 56 -201 637 C ATOM 658 CG GLN A 100 6.052 20.689 -7.813 1.00 41.71 C ANISOU 658 CG GLN A 100 5055 6251 4543 95 -243 647 C ATOM 659 CD GLN A 100 5.603 19.261 -7.798 1.00 46.51 C ANISOU 659 CD GLN A 100 5629 6906 5136 78 -244 557 C ATOM 660 OE1 GLN A 100 6.108 18.426 -8.544 1.00 44.66 O ANISOU 660 OE1 GLN A 100 5385 6734 4849 41 -229 512 O ATOM 661 NE2 GLN A 100 4.685 18.938 -6.927 1.00 28.59 N ANISOU 661 NE2 GLN A 100 3341 4607 2915 102 -258 526 N ATOM 0 H GLN A 100 8.492 22.541 -9.348 1.00 22.23 H new ATOM 0 HA GLN A 100 7.785 22.378 -6.746 1.00 21.98 H new ATOM 0 HB2 GLN A 100 7.844 20.396 -8.739 1.00 24.68 H new ATOM 0 HB3 GLN A 100 7.870 19.967 -7.240 1.00 24.68 H new ATOM 0 HG2 GLN A 100 5.734 21.160 -7.027 1.00 41.71 H new ATOM 0 HG3 GLN A 100 5.698 21.155 -8.586 1.00 41.71 H new ATOM 0 HE21 GLN A 100 4.346 19.541 -6.416 1.00 28.59 H new ATOM 0 HE22 GLN A 100 4.419 18.123 -6.865 1.00 28.59 H new ATOM 662 N LEU A 101 9.965 21.589 -5.855 1.00 18.52 N ANISOU 662 N LEU A 101 2204 3104 1730 34 -130 640 N ATOM 663 CA LEU A 101 11.280 21.252 -5.357 1.00 17.18 C ANISOU 663 CA LEU A 101 2040 2903 1582 3 -92 601 C ATOM 664 C LEU A 101 11.215 19.891 -4.681 1.00 17.36 C ANISOU 664 C LEU A 101 2040 2923 1631 5 -82 508 C ATOM 665 O LEU A 101 10.266 19.609 -3.943 1.00 18.05 O ANISOU 665 O LEU A 101 2120 2980 1758 32 -100 486 O ATOM 666 CB LEU A 101 11.682 22.318 -4.326 1.00 17.11 C ANISOU 666 CB LEU A 101 2063 2795 1641 12 -83 639 C ATOM 667 CG LEU A 101 12.945 22.072 -3.502 1.00 21.03 C ANISOU 667 CG LEU A 101 2565 3248 2177 -13 -48 599 C ATOM 668 CD1 LEU A 101 14.215 22.214 -4.344 1.00 22.26 C ANISOU 668 CD1 LEU A 101 2723 3449 2286 -58 -20 615 C ATOM 669 CD2 LEU A 101 12.951 22.942 -2.267 1.00 23.85 C ANISOU 669 CD2 LEU A 101 2949 3506 2608 3 -49 619 C ATOM 0 H LEU A 101 9.393 21.761 -5.236 1.00 18.52 H new ATOM 0 HA LEU A 101 11.927 21.222 -6.079 1.00 17.18 H new ATOM 0 HB2 LEU A 101 11.792 23.160 -4.795 1.00 17.11 H new ATOM 0 HB3 LEU A 101 10.941 22.431 -3.710 1.00 17.11 H new ATOM 0 HG LEU A 101 12.937 21.150 -3.200 1.00 21.03 H new ATOM 0 HD11 LEU A 101 14.992 22.051 -3.787 1.00 22.26 H new ATOM 0 HD12 LEU A 101 14.196 21.570 -5.069 1.00 22.26 H new ATOM 0 HD13 LEU A 101 14.262 23.111 -4.710 1.00 22.26 H new ATOM 0 HD21 LEU A 101 13.758 22.774 -1.756 1.00 23.85 H new ATOM 0 HD22 LEU A 101 12.923 23.876 -2.529 1.00 23.85 H new ATOM 0 HD23 LEU A 101 12.175 22.736 -1.722 1.00 23.85 H new ATOM 670 N TRP A 102 12.193 19.046 -4.978 1.00 14.04 N ANISOU 670 N TRP A 102 1609 2538 1189 -25 -54 457 N ATOM 671 CA TRP A 102 12.368 17.769 -4.299 1.00 13.81 C ANISOU 671 CA TRP A 102 1565 2494 1190 -25 -42 372 C ATOM 672 C TRP A 102 13.623 17.829 -3.450 1.00 13.91 C ANISOU 672 C TRP A 102 1587 2451 1248 -36 -11 357 C ATOM 673 O TRP A 102 14.701 18.131 -3.975 1.00 14.45 O ANISOU 673 O TRP A 102 1657 2545 1289 -61 12 371 O ATOM 674 CB TRP A 102 12.561 16.628 -5.290 1.00 13.15 C ANISOU 674 CB TRP A 102 1458 2490 1047 -45 -32 315 C ATOM 675 CG TRP A 102 11.383 16.216 -6.135 1.00 13.53 C ANISOU 675 CG TRP A 102 1490 2606 1045 -41 -60 307 C ATOM 676 CD1 TRP A 102 10.183 16.856 -6.282 1.00 16.33 C ANISOU 676 CD1 TRP A 102 1844 2969 1393 -20 -95 356 C ATOM 677 CD2 TRP A 102 11.306 15.029 -6.910 1.00 13.53 C ANISOU 677 CD2 TRP A 102 1470 2674 997 -58 -56 241 C ATOM 678 NE1 TRP A 102 9.362 16.134 -7.131 1.00 16.29 N ANISOU 678 NE1 TRP A 102 1815 3040 1333 -27 -115 326 N ATOM 679 CE2 TRP A 102 10.035 15.012 -7.541 1.00 15.35 C ANISOU 679 CE2 TRP A 102 1687 2958 1188 -53 -91 253 C ATOM 680 CE3 TRP A 102 12.187 13.970 -7.145 1.00 14.82 C ANISOU 680 CE3 TRP A 102 1625 2859 1147 -76 -27 168 C ATOM 681 CZ2 TRP A 102 9.641 13.972 -8.390 1.00 15.25 C ANISOU 681 CZ2 TRP A 102 1653 3019 1120 -71 -97 194 C ATOM 682 CZ3 TRP A 102 11.776 12.928 -7.957 1.00 16.37 C ANISOU 682 CZ3 TRP A 102 1804 3120 1294 -90 -32 108 C ATOM 683 CH2 TRP A 102 10.539 12.965 -8.615 1.00 16.84 C ANISOU 683 CH2 TRP A 102 1852 3236 1311 -91 -66 121 C ATOM 0 H TRP A 102 12.781 19.199 -5.587 1.00 14.04 H new ATOM 0 HA TRP A 102 11.572 17.609 -3.768 1.00 13.81 H new ATOM 0 HB2 TRP A 102 13.284 16.873 -5.888 1.00 13.15 H new ATOM 0 HB3 TRP A 102 12.856 15.849 -4.793 1.00 13.15 H new ATOM 0 HD1 TRP A 102 9.953 17.658 -5.872 1.00 16.33 H new ATOM 0 HE1 TRP A 102 8.563 16.353 -7.363 1.00 16.29 H new ATOM 0 HE3 TRP A 102 13.035 13.966 -6.762 1.00 14.82 H new ATOM 0 HZ2 TRP A 102 8.800 13.966 -8.787 1.00 15.25 H new ATOM 0 HZ3 TRP A 102 12.330 12.190 -8.068 1.00 16.37 H new ATOM 0 HH2 TRP A 102 10.324 12.290 -9.218 1.00 16.84 H new ATOM 684 N LEU A 103 13.496 17.476 -2.185 1.00 12.34 N ANISOU 684 N LEU A 103 1392 2186 1112 -19 -12 324 N ATOM 685 CA LEU A 103 14.645 17.339 -1.275 1.00 11.94 C ANISOU 685 CA LEU A 103 1346 2087 1105 -27 13 299 C ATOM 686 C LEU A 103 14.779 15.843 -1.009 1.00 12.24 C ANISOU 686 C LEU A 103 1366 2133 1151 -24 22 219 C ATOM 687 O LEU A 103 13.841 15.216 -0.486 1.00 12.23 O ANISOU 687 O LEU A 103 1363 2112 1173 -8 5 190 O ATOM 688 CB LEU A 103 14.455 18.126 0.021 1.00 13.39 C ANISOU 688 CB LEU A 103 1548 2186 1352 -12 6 324 C ATOM 689 CG LEU A 103 14.241 19.637 -0.120 1.00 16.59 C ANISOU 689 CG LEU A 103 1976 2566 1760 -10 -3 401 C ATOM 690 CD1 LEU A 103 14.140 20.313 1.246 1.00 18.38 C ANISOU 690 CD1 LEU A 103 2223 2707 2052 5 -6 412 C ATOM 691 CD2 LEU A 103 15.372 20.295 -0.925 1.00 20.63 C ANISOU 691 CD2 LEU A 103 2494 3106 2236 -44 18 439 C ATOM 0 H LEU A 103 12.738 17.305 -1.816 1.00 12.34 H new ATOM 0 HA LEU A 103 15.450 17.706 -1.673 1.00 11.94 H new ATOM 0 HB2 LEU A 103 13.693 17.754 0.493 1.00 13.39 H new ATOM 0 HB3 LEU A 103 15.234 17.981 0.581 1.00 13.39 H new ATOM 0 HG LEU A 103 13.405 19.756 -0.597 1.00 16.59 H new ATOM 0 HD11 LEU A 103 14.005 21.266 1.126 1.00 18.38 H new ATOM 0 HD12 LEU A 103 13.391 19.940 1.737 1.00 18.38 H new ATOM 0 HD13 LEU A 103 14.959 20.163 1.743 1.00 18.38 H new ATOM 0 HD21 LEU A 103 15.207 21.248 -0.996 1.00 20.63 H new ATOM 0 HD22 LEU A 103 16.218 20.146 -0.475 1.00 20.63 H new ATOM 0 HD23 LEU A 103 15.406 19.906 -1.813 1.00 20.63 H new ATOM 692 N VAL A 104 15.914 15.254 -1.367 1.00 12.31 N ANISOU 692 N VAL A 104 1362 2172 1143 -39 47 183 N ATOM 693 CA VAL A 104 16.122 13.823 -1.338 1.00 10.66 C ANISOU 693 CA VAL A 104 1140 1976 936 -35 56 108 C ATOM 694 C VAL A 104 17.064 13.462 -0.213 1.00 12.61 C ANISOU 694 C VAL A 104 1386 2168 1237 -27 72 80 C ATOM 695 O VAL A 104 18.106 14.132 -0.048 1.00 12.65 O ANISOU 695 O VAL A 104 1389 2168 1248 -38 89 104 O ATOM 696 CB VAL A 104 16.665 13.352 -2.708 1.00 14.04 C ANISOU 696 CB VAL A 104 1549 2486 1298 -52 74 82 C ATOM 697 CG1 VAL A 104 16.772 11.844 -2.758 1.00 13.86 C ANISOU 697 CG1 VAL A 104 1516 2472 1279 -44 82 -1 C ATOM 698 CG2 VAL A 104 15.808 13.876 -3.874 1.00 14.20 C ANISOU 698 CG2 VAL A 104 1569 2568 1256 -63 57 120 C ATOM 0 H VAL A 104 16.601 15.693 -1.641 1.00 12.31 H new ATOM 0 HA VAL A 104 15.280 13.371 -1.175 1.00 10.66 H new ATOM 0 HB VAL A 104 17.554 13.726 -2.809 1.00 14.04 H new ATOM 0 HG11 VAL A 104 17.114 11.572 -3.624 1.00 13.86 H new ATOM 0 HG12 VAL A 104 17.375 11.539 -2.063 1.00 13.86 H new ATOM 0 HG13 VAL A 104 15.895 11.452 -2.619 1.00 13.86 H new ATOM 0 HG21 VAL A 104 16.177 13.562 -4.714 1.00 14.20 H new ATOM 0 HG22 VAL A 104 14.899 13.551 -3.779 1.00 14.20 H new ATOM 0 HG23 VAL A 104 15.807 14.846 -3.865 1.00 14.20 H new ATOM 699 N MET A 105 16.737 12.420 0.556 1.00 10.21 N ANISOU 699 N MET A 105 1083 1826 969 -11 65 32 N ATOM 700 CA MET A 105 17.560 12.028 1.679 1.00 10.79 C ANISOU 700 CA MET A 105 1158 1849 1093 0 75 9 C ATOM 701 C MET A 105 17.463 10.542 1.937 1.00 11.33 C ANISOU 701 C MET A 105 1224 1902 1178 14 75 -56 C ATOM 702 O MET A 105 16.622 9.857 1.353 1.00 11.17 O ANISOU 702 O MET A 105 1205 1904 1137 12 66 -85 O ATOM 703 CB MET A 105 17.151 12.829 2.915 1.00 12.23 C ANISOU 703 CB MET A 105 1357 1968 1322 6 61 48 C ATOM 704 CG MET A 105 15.769 12.442 3.379 1.00 12.63 C ANISOU 704 CG MET A 105 1418 1992 1389 17 39 40 C ATOM 705 SD MET A 105 14.904 13.727 4.304 1.00 15.52 S ANISOU 705 SD MET A 105 1801 2311 1787 24 21 95 S ATOM 706 CE MET A 105 14.434 14.831 2.913 1.00 17.40 C ANISOU 706 CE MET A 105 2037 2601 1971 16 14 149 C ATOM 0 H MET A 105 16.039 11.932 0.436 1.00 10.21 H new ATOM 0 HA MET A 105 18.487 12.222 1.470 1.00 10.79 H new ATOM 0 HB2 MET A 105 17.790 12.677 3.629 1.00 12.23 H new ATOM 0 HB3 MET A 105 17.174 13.777 2.712 1.00 12.23 H new ATOM 0 HG2 MET A 105 15.236 12.202 2.605 1.00 12.63 H new ATOM 0 HG3 MET A 105 15.837 11.649 3.934 1.00 12.63 H new ATOM 0 HE1 MET A 105 14.590 15.754 3.166 1.00 17.40 H new ATOM 0 HE2 MET A 105 14.969 14.615 2.133 1.00 17.40 H new ATOM 0 HE3 MET A 105 13.495 14.708 2.705 1.00 17.40 H new ATOM 707 N GLU A 106 18.286 10.057 2.864 1.00 11.05 N ANISOU 707 N GLU A 106 1188 1826 1184 28 83 -79 N ATOM 708 CA GLU A 106 18.326 8.676 3.263 1.00 11.94 C ANISOU 708 CA GLU A 106 1304 1911 1323 44 83 -135 C ATOM 709 C GLU A 106 16.945 8.182 3.713 1.00 12.79 C ANISOU 709 C GLU A 106 1429 1984 1446 44 61 -142 C ATOM 710 O GLU A 106 16.252 8.881 4.454 1.00 12.68 O ANISOU 710 O GLU A 106 1426 1941 1451 41 47 -103 O ATOM 711 CB GLU A 106 19.316 8.652 4.429 1.00 14.90 C ANISOU 711 CB GLU A 106 1676 2241 1742 59 87 -132 C ATOM 712 CG GLU A 106 19.450 7.380 5.203 1.00 19.55 C ANISOU 712 CG GLU A 106 2275 2785 2371 81 83 -174 C ATOM 713 CD GLU A 106 20.495 7.423 6.301 1.00 17.36 C ANISOU 713 CD GLU A 106 1991 2475 2132 98 85 -167 C ATOM 714 OE1 GLU A 106 20.843 6.303 6.729 1.00 24.89 O ANISOU 714 OE1 GLU A 106 2948 3398 3111 121 84 -203 O ATOM 715 OE2 GLU A 106 20.978 8.510 6.729 1.00 14.84 O ANISOU 715 OE2 GLU A 106 1664 2158 1816 88 87 -127 O ATOM 0 H GLU A 106 18.852 10.549 3.286 1.00 11.05 H new ATOM 0 HA GLU A 106 18.589 8.093 2.534 1.00 11.94 H new ATOM 0 HB2 GLU A 106 20.192 8.883 4.081 1.00 14.90 H new ATOM 0 HB3 GLU A 106 19.063 9.353 5.049 1.00 14.90 H new ATOM 0 HG2 GLU A 106 18.591 7.162 5.597 1.00 19.55 H new ATOM 0 HG3 GLU A 106 19.671 6.662 4.589 1.00 19.55 H new ATOM 716 N PHE A 107 16.574 6.980 3.273 1.00 11.36 N ANISOU 716 N PHE A 107 1252 1807 1258 45 60 -194 N ATOM 717 CA PHE A 107 15.311 6.371 3.674 1.00 10.93 C ANISOU 717 CA PHE A 107 1212 1722 1217 38 42 -207 C ATOM 718 C PHE A 107 15.490 5.575 4.952 1.00 13.64 C ANISOU 718 C PHE A 107 1572 1996 1614 51 38 -223 C ATOM 719 O PHE A 107 16.317 4.660 5.018 1.00 14.82 O ANISOU 719 O PHE A 107 1725 2126 1780 67 49 -261 O ATOM 720 CB PHE A 107 14.806 5.463 2.564 1.00 12.23 C ANISOU 720 CB PHE A 107 1375 1925 1347 25 42 -257 C ATOM 721 CG PHE A 107 13.381 5.014 2.780 1.00 13.15 C ANISOU 721 CG PHE A 107 1502 2027 1469 8 22 -265 C ATOM 722 CD1 PHE A 107 12.334 5.926 2.718 1.00 14.36 C ANISOU 722 CD1 PHE A 107 1647 2205 1605 -3 5 -222 C ATOM 723 CD2 PHE A 107 13.089 3.679 3.027 1.00 15.38 C ANISOU 723 CD2 PHE A 107 1800 2271 1773 3 20 -317 C ATOM 724 CE1 PHE A 107 11.010 5.513 2.904 1.00 15.03 C ANISOU 724 CE1 PHE A 107 1733 2285 1692 -20 -13 -232 C ATOM 725 CE2 PHE A 107 11.752 3.264 3.214 1.00 16.99 C ANISOU 725 CE2 PHE A 107 2010 2466 1979 -20 3 -325 C ATOM 726 CZ PHE A 107 10.734 4.187 3.148 1.00 15.15 C ANISOU 726 CZ PHE A 107 1763 2267 1727 -32 -13 -283 C ATOM 0 H PHE A 107 17.045 6.499 2.738 1.00 11.36 H new ATOM 0 HA PHE A 107 14.661 7.073 3.836 1.00 10.93 H new ATOM 0 HB2 PHE A 107 14.869 5.930 1.716 1.00 12.23 H new ATOM 0 HB3 PHE A 107 15.381 4.684 2.502 1.00 12.23 H new ATOM 0 HD1 PHE A 107 12.516 6.823 2.551 1.00 14.36 H new ATOM 0 HD2 PHE A 107 13.777 3.055 3.069 1.00 15.38 H new ATOM 0 HE1 PHE A 107 10.318 6.133 2.863 1.00 15.03 H new ATOM 0 HE2 PHE A 107 11.560 2.369 3.381 1.00 16.99 H new ATOM 0 HZ PHE A 107 9.854 3.913 3.269 1.00 15.15 H new ATOM 727 N CYS A 108 14.725 5.920 5.982 1.00 12.06 N ANISOU 727 N CYS A 108 1384 1759 1441 47 24 -192 N ATOM 728 CA CYS A 108 14.831 5.241 7.283 1.00 12.54 C ANISOU 728 CA CYS A 108 1462 1756 1548 56 19 -198 C ATOM 729 C CYS A 108 13.686 4.254 7.363 1.00 14.21 C ANISOU 729 C CYS A 108 1687 1946 1764 39 9 -226 C ATOM 730 O CYS A 108 12.592 4.561 7.826 1.00 13.26 O ANISOU 730 O CYS A 108 1570 1822 1648 24 -3 -205 O ATOM 731 CB CYS A 108 14.773 6.284 8.392 1.00 12.50 C ANISOU 731 CB CYS A 108 1458 1727 1563 58 13 -149 C ATOM 732 SG CYS A 108 16.106 7.506 8.296 1.00 13.90 S ANISOU 732 SG CYS A 108 1619 1927 1734 68 26 -117 S ATOM 0 H CYS A 108 14.135 6.545 5.954 1.00 12.06 H new ATOM 0 HA CYS A 108 15.669 4.763 7.383 1.00 12.54 H new ATOM 0 HB2 CYS A 108 13.919 6.742 8.352 1.00 12.50 H new ATOM 0 HB3 CYS A 108 14.815 5.836 9.251 1.00 12.50 H new ATOM 0 HG CYS A 108 15.888 8.398 9.068 1.00 13.90 H new ATOM 733 N GLY A 109 13.949 3.084 6.787 1.00 15.06 N ANISOU 733 N GLY A 109 1803 2049 1871 40 15 -277 N ATOM 734 CA GLY A 109 12.959 2.066 6.493 1.00 15.80 C ANISOU 734 CA GLY A 109 1910 2132 1961 17 7 -314 C ATOM 735 C GLY A 109 12.178 1.469 7.635 1.00 16.98 C ANISOU 735 C GLY A 109 2081 2226 2145 2 -4 -308 C ATOM 736 O GLY A 109 11.098 0.908 7.406 1.00 17.69 O ANISOU 736 O GLY A 109 2176 2318 2227 -27 -12 -329 O ATOM 0 H GLY A 109 14.744 2.857 6.549 1.00 15.06 H new ATOM 0 HA2 GLY A 109 12.322 2.446 5.868 1.00 15.80 H new ATOM 0 HA3 GLY A 109 13.410 1.341 6.033 1.00 15.80 H new ATOM 737 N ALA A 110 12.704 1.559 8.857 1.00 14.35 N ANISOU 737 N ALA A 110 1759 1846 1848 19 -4 -281 N ATOM 738 CA ALA A 110 12.009 0.985 9.995 1.00 15.16 C ANISOU 738 CA ALA A 110 1884 1898 1980 3 -13 -271 C ATOM 739 C ALA A 110 10.979 1.920 10.615 1.00 14.11 C ANISOU 739 C ALA A 110 1739 1783 1840 -15 -22 -231 C ATOM 740 O ALA A 110 10.269 1.509 11.524 1.00 14.82 O ANISOU 740 O ALA A 110 1841 1841 1947 -34 -27 -222 O ATOM 741 CB ALA A 110 13.013 0.516 11.016 1.00 16.46 C ANISOU 741 CB ALA A 110 2067 2006 2181 28 -12 -262 C ATOM 0 H ALA A 110 13.451 1.943 9.041 1.00 14.35 H new ATOM 0 HA ALA A 110 11.500 0.227 9.668 1.00 15.16 H new ATOM 0 HB1 ALA A 110 12.547 0.133 11.776 1.00 16.46 H new ATOM 0 HB2 ALA A 110 13.590 -0.155 10.619 1.00 16.46 H new ATOM 0 HB3 ALA A 110 13.549 1.268 11.312 1.00 16.46 H new ATOM 742 N GLY A 111 10.809 3.129 10.080 1.00 13.37 N ANISOU 742 N GLY A 111 1619 1739 1719 -10 -22 -208 N ATOM 743 CA GLY A 111 9.789 4.032 10.578 1.00 12.03 C ANISOU 743 CA GLY A 111 1437 1588 1545 -20 -29 -174 C ATOM 744 C GLY A 111 10.188 4.883 11.775 1.00 11.63 C ANISOU 744 C GLY A 111 1390 1514 1516 -5 -28 -135 C ATOM 745 O GLY A 111 11.370 4.936 12.144 1.00 12.33 O ANISOU 745 O GLY A 111 1485 1580 1619 15 -22 -130 O ATOM 0 H GLY A 111 11.277 3.440 9.429 1.00 13.37 H new ATOM 0 HA2 GLY A 111 9.523 4.623 9.856 1.00 12.03 H new ATOM 0 HA3 GLY A 111 9.008 3.510 10.819 1.00 12.03 H new ATOM 746 N SER A 112 9.210 5.534 12.369 1.00 10.34 N ANISOU 746 N SER A 112 1216 1359 1352 -13 -32 -112 N ATOM 747 CA SER A 112 9.479 6.468 13.431 1.00 9.72 C ANISOU 747 CA SER A 112 1140 1264 1290 0 -30 -80 C ATOM 748 C SER A 112 9.456 5.847 14.816 1.00 9.81 C ANISOU 748 C SER A 112 1169 1233 1325 -9 -30 -77 C ATOM 749 O SER A 112 8.918 4.750 15.009 1.00 10.50 O ANISOU 749 O SER A 112 1269 1304 1419 -30 -32 -95 O ATOM 750 CB SER A 112 8.443 7.584 13.377 1.00 10.90 C ANISOU 750 CB SER A 112 1269 1446 1428 2 -34 -58 C ATOM 751 OG SER A 112 7.162 7.057 13.697 1.00 12.64 O ANISOU 751 OG SER A 112 1482 1674 1647 -20 -39 -68 O ATOM 0 H SER A 112 8.378 5.447 12.169 1.00 10.34 H new ATOM 0 HA SER A 112 10.379 6.800 13.289 1.00 9.72 H new ATOM 0 HB2 SER A 112 8.679 8.288 14.001 1.00 10.90 H new ATOM 0 HB3 SER A 112 8.428 7.982 12.493 1.00 10.90 H new ATOM 0 HG SER A 112 6.576 7.444 13.236 1.00 12.64 H new ATOM 752 N VAL A 113 9.907 6.621 15.806 1.00 9.43 N ANISOU 752 N VAL A 113 1125 1170 1289 3 -28 -53 N ATOM 753 CA VAL A 113 9.764 6.207 17.202 1.00 9.13 C ANISOU 753 CA VAL A 113 1101 1101 1266 -8 -28 -45 C ATOM 754 C VAL A 113 8.274 6.161 17.564 1.00 10.46 C ANISOU 754 C VAL A 113 1260 1285 1428 -31 -28 -45 C ATOM 755 O VAL A 113 7.849 5.280 18.314 1.00 10.23 O ANISOU 755 O VAL A 113 1245 1236 1405 -53 -28 -48 O ATOM 756 CB VAL A 113 10.600 7.137 18.105 1.00 10.70 C ANISOU 756 CB VAL A 113 1303 1289 1473 8 -26 -23 C ATOM 757 CG1 VAL A 113 10.155 7.045 19.575 1.00 12.19 C ANISOU 757 CG1 VAL A 113 1501 1461 1668 -5 -26 -12 C ATOM 758 CG2 VAL A 113 12.077 6.800 17.933 1.00 11.11 C ANISOU 758 CG2 VAL A 113 1362 1325 1533 25 -27 -27 C ATOM 0 H VAL A 113 10.294 7.380 15.692 1.00 9.43 H new ATOM 0 HA VAL A 113 10.111 5.312 17.341 1.00 9.13 H new ATOM 0 HB VAL A 113 10.457 8.058 17.837 1.00 10.70 H new ATOM 0 HG11 VAL A 113 10.698 7.640 20.116 1.00 12.19 H new ATOM 0 HG12 VAL A 113 9.223 7.303 19.648 1.00 12.19 H new ATOM 0 HG13 VAL A 113 10.263 6.134 19.890 1.00 12.19 H new ATOM 0 HG21 VAL A 113 12.610 7.381 18.498 1.00 11.11 H new ATOM 0 HG22 VAL A 113 12.230 5.876 18.185 1.00 11.11 H new ATOM 0 HG23 VAL A 113 12.333 6.928 17.006 1.00 11.11 H new ATOM 759 N THR A 114 7.452 7.084 17.017 1.00 10.07 N ANISOU 759 N THR A 114 1187 1274 1366 -26 -28 -40 N ATOM 760 CA THR A 114 6.013 7.037 17.312 1.00 10.33 C ANISOU 760 CA THR A 114 1203 1330 1391 -46 -28 -43 C ATOM 761 C THR A 114 5.438 5.689 16.854 1.00 12.59 C ANISOU 761 C THR A 114 1493 1617 1673 -78 -31 -67 C ATOM 762 O THR A 114 4.609 5.070 17.560 1.00 12.35 O ANISOU 762 O THR A 114 1463 1584 1644 -107 -29 -71 O ATOM 763 CB THR A 114 5.327 8.185 16.552 1.00 14.42 C ANISOU 763 CB THR A 114 1692 1890 1896 -27 -31 -35 C ATOM 764 OG1 THR A 114 6.005 9.415 16.807 1.00 20.15 O ANISOU 764 OG1 THR A 114 2421 2605 2629 1 -28 -14 O ATOM 765 CG2 THR A 114 3.867 8.379 16.923 1.00 15.37 C ANISOU 765 CG2 THR A 114 1786 2042 2011 -38 -30 -36 C ATOM 0 H THR A 114 7.701 7.719 16.494 1.00 10.07 H new ATOM 0 HA THR A 114 5.861 7.133 18.265 1.00 10.33 H new ATOM 0 HB THR A 114 5.368 7.937 15.615 1.00 14.42 H new ATOM 0 HG1 THR A 114 5.451 9.994 17.058 1.00 20.15 H new ATOM 0 HG21 THR A 114 3.498 9.115 16.410 1.00 15.37 H new ATOM 0 HG22 THR A 114 3.373 7.568 16.727 1.00 15.37 H new ATOM 0 HG23 THR A 114 3.797 8.578 17.870 1.00 15.37 H new ATOM 766 N ASP A 115 5.848 5.216 15.670 1.00 11.63 N ANISOU 766 N ASP A 115 1374 1500 1543 -76 -36 -86 N ATOM 767 CA ASP A 115 5.429 3.915 15.131 1.00 13.94 C ANISOU 767 CA ASP A 115 1675 1789 1833 -107 -39 -116 C ATOM 768 C ASP A 115 5.934 2.782 16.005 1.00 13.95 C ANISOU 768 C ASP A 115 1712 1733 1857 -122 -36 -120 C ATOM 769 O ASP A 115 5.172 1.823 16.257 1.00 13.42 O ANISOU 769 O ASP A 115 1653 1653 1792 -159 -37 -132 O ATOM 770 CB ASP A 115 6.021 3.712 13.719 1.00 17.05 C ANISOU 770 CB ASP A 115 2068 2197 2213 -96 -43 -138 C ATOM 771 CG ASP A 115 5.539 4.590 12.585 1.00 30.09 C ANISOU 771 CG ASP A 115 3688 3908 3836 -85 -49 -135 C ATOM 772 OD1 ASP A 115 4.345 4.953 12.588 1.00 27.47 O ANISOU 772 OD1 ASP A 115 3332 3613 3493 -97 -54 -130 O ATOM 773 OD2 ASP A 115 6.357 4.854 11.632 1.00 31.63 O ANISOU 773 OD2 ASP A 115 3884 4117 4019 -66 -48 -139 O ATOM 0 H ASP A 115 6.383 5.647 15.152 1.00 11.63 H new ATOM 0 HA ASP A 115 4.459 3.908 15.103 1.00 13.94 H new ATOM 0 HB2 ASP A 115 6.982 3.823 13.786 1.00 17.05 H new ATOM 0 HB3 ASP A 115 5.859 2.790 13.464 1.00 17.05 H new ATOM 774 N LEU A 116 7.172 2.863 16.507 1.00 11.78 N ANISOU 774 N LEU A 116 1456 1423 1597 -95 -35 -107 N ATOM 775 CA LEU A 116 7.725 1.836 17.365 1.00 11.41 C ANISOU 775 CA LEU A 116 1443 1321 1571 -102 -35 -104 C ATOM 776 C LEU A 116 6.872 1.688 18.626 1.00 11.48 C ANISOU 776 C LEU A 116 1457 1323 1582 -131 -33 -84 C ATOM 777 O LEU A 116 6.555 0.570 19.035 1.00 12.69 O ANISOU 777 O LEU A 116 1634 1442 1744 -161 -34 -88 O ATOM 778 CB LEU A 116 9.178 2.227 17.704 1.00 12.08 C ANISOU 778 CB LEU A 116 1536 1386 1668 -64 -36 -89 C ATOM 779 CG LEU A 116 9.953 1.284 18.600 1.00 14.92 C ANISOU 779 CG LEU A 116 1928 1692 2049 -59 -40 -80 C ATOM 780 CD1 LEU A 116 10.118 -0.095 17.953 1.00 17.94 C ANISOU 780 CD1 LEU A 116 2335 2037 2446 -64 -43 -110 C ATOM 781 CD2 LEU A 116 11.319 1.869 18.918 1.00 16.50 C ANISOU 781 CD2 LEU A 116 2125 1888 2256 -21 -42 -65 C ATOM 0 H LEU A 116 7.707 3.519 16.354 1.00 11.78 H new ATOM 0 HA LEU A 116 7.723 0.976 16.916 1.00 11.41 H new ATOM 0 HB2 LEU A 116 9.667 2.321 16.871 1.00 12.08 H new ATOM 0 HB3 LEU A 116 9.164 3.100 18.126 1.00 12.08 H new ATOM 0 HG LEU A 116 9.448 1.174 19.421 1.00 14.92 H new ATOM 0 HD11 LEU A 116 10.617 -0.675 18.549 1.00 17.94 H new ATOM 0 HD12 LEU A 116 9.244 -0.480 17.785 1.00 17.94 H new ATOM 0 HD13 LEU A 116 10.598 -0.004 17.115 1.00 17.94 H new ATOM 0 HD21 LEU A 116 11.807 1.258 19.492 1.00 16.50 H new ATOM 0 HD22 LEU A 116 11.813 2.003 18.094 1.00 16.50 H new ATOM 0 HD23 LEU A 116 11.209 2.720 19.371 1.00 16.50 H new ATOM 782 N ILE A 117 6.455 2.793 19.216 1.00 9.65 N ANISOU 782 N ILE A 117 1203 1122 1341 -125 -29 -65 N ATOM 783 CA ILE A 117 5.596 2.776 20.393 1.00 9.93 C ANISOU 783 CA ILE A 117 1238 1162 1372 -153 -23 -49 C ATOM 784 C ILE A 117 4.236 2.182 20.051 1.00 12.30 C ANISOU 784 C ILE A 117 1524 1486 1663 -195 -21 -66 C ATOM 785 O ILE A 117 3.723 1.344 20.806 1.00 12.55 O ANISOU 785 O ILE A 117 1571 1499 1697 -233 -17 -61 O ATOM 786 CB ILE A 117 5.426 4.212 20.897 1.00 11.86 C ANISOU 786 CB ILE A 117 1458 1440 1608 -131 -17 -34 C ATOM 787 CG1 ILE A 117 6.765 4.791 21.359 1.00 11.70 C ANISOU 787 CG1 ILE A 117 1451 1397 1596 -98 -19 -19 C ATOM 788 CG2 ILE A 117 4.397 4.256 22.061 1.00 14.49 C ANISOU 788 CG2 ILE A 117 1783 1791 1933 -159 -8 -25 C ATOM 789 CD1 ILE A 117 6.730 6.335 21.513 1.00 12.68 C ANISOU 789 CD1 ILE A 117 1553 1549 1715 -74 -14 -11 C ATOM 0 H ILE A 117 6.662 3.583 18.945 1.00 9.65 H new ATOM 0 HA ILE A 117 6.002 2.228 21.082 1.00 9.93 H new ATOM 0 HB ILE A 117 5.096 4.753 20.162 1.00 11.86 H new ATOM 0 HG12 ILE A 117 7.010 4.391 22.208 1.00 11.70 H new ATOM 0 HG13 ILE A 117 7.455 4.549 20.721 1.00 11.70 H new ATOM 0 HG21 ILE A 117 4.298 5.170 22.371 1.00 14.49 H new ATOM 0 HG22 ILE A 117 3.540 3.927 21.748 1.00 14.49 H new ATOM 0 HG23 ILE A 117 4.710 3.699 22.791 1.00 14.49 H new ATOM 0 HD11 ILE A 117 7.599 6.651 21.806 1.00 12.68 H new ATOM 0 HD12 ILE A 117 6.510 6.741 20.660 1.00 12.68 H new ATOM 0 HD13 ILE A 117 6.059 6.580 22.169 1.00 12.68 H new ATOM 790 N LYS A 118 3.641 2.612 18.931 1.00 11.72 N ANISOU 790 N LYS A 118 1421 1455 1577 -191 -24 -84 N ATOM 791 CA LYS A 118 2.323 2.108 18.518 1.00 12.88 C ANISOU 791 CA LYS A 118 1547 1636 1713 -232 -24 -102 C ATOM 792 C LYS A 118 2.377 0.582 18.314 1.00 15.16 C ANISOU 792 C LYS A 118 1867 1881 2010 -271 -26 -122 C ATOM 793 O LYS A 118 1.379 -0.110 18.613 1.00 17.39 O ANISOU 793 O LYS A 118 2147 2171 2289 -320 -23 -129 O ATOM 794 CB LYS A 118 1.948 2.818 17.192 1.00 15.04 C ANISOU 794 CB LYS A 118 1785 1962 1969 -213 -31 -117 C ATOM 795 CG LYS A 118 0.629 2.356 16.556 1.00 30.20 C ANISOU 795 CG LYS A 118 3676 3928 3872 -253 -36 -140 C ATOM 796 CD LYS A 118 -0.423 3.451 16.501 1.00 49.58 C ANISOU 796 CD LYS A 118 6080 6448 6310 -240 -37 -131 C ATOM 797 CE LYS A 118 -1.741 2.914 15.989 1.00 62.51 C ANISOU 797 CE LYS A 118 7683 8137 7931 -283 -42 -154 C ATOM 798 NZ LYS A 118 -2.838 3.908 16.118 1.00 74.53 N ANISOU 798 NZ LYS A 118 9153 9726 9441 -268 -43 -144 N ATOM 0 H LYS A 118 3.983 3.194 18.398 1.00 11.72 H new ATOM 0 HA LYS A 118 1.658 2.291 19.200 1.00 12.88 H new ATOM 0 HB2 LYS A 118 1.895 3.773 17.356 1.00 15.04 H new ATOM 0 HB3 LYS A 118 2.665 2.680 16.553 1.00 15.04 H new ATOM 0 HG2 LYS A 118 0.804 2.038 15.657 1.00 30.20 H new ATOM 0 HG3 LYS A 118 0.279 1.604 17.060 1.00 30.20 H new ATOM 0 HD2 LYS A 118 -0.546 3.830 17.385 1.00 49.58 H new ATOM 0 HD3 LYS A 118 -0.117 4.169 15.925 1.00 49.58 H new ATOM 0 HE2 LYS A 118 -1.645 2.659 15.058 1.00 62.51 H new ATOM 0 HE3 LYS A 118 -1.974 2.111 16.480 1.00 62.51 H new ATOM 0 HZ1 LYS A 118 -3.595 3.557 15.808 1.00 74.53 H new ATOM 0 HZ2 LYS A 118 -2.942 4.126 16.975 1.00 74.53 H new ATOM 0 HZ3 LYS A 118 -2.635 4.637 15.649 1.00 74.53 H new ATOM 799 N ASN A 119 3.493 0.049 17.831 1.00 13.09 N ANISOU 799 N ASN A 119 1636 1575 1762 -251 -31 -132 N ATOM 800 CA ASN A 119 3.659 -1.361 17.494 1.00 13.67 C ANISOU 800 CA ASN A 119 1744 1599 1849 -278 -34 -156 C ATOM 801 C ASN A 119 4.246 -2.208 18.618 1.00 17.08 C ANISOU 801 C ASN A 119 2222 1964 2305 -285 -33 -135 C ATOM 802 O ASN A 119 4.564 -3.388 18.392 1.00 18.87 O ANISOU 802 O ASN A 119 2484 2135 2549 -299 -36 -152 O ATOM 803 CB ASN A 119 4.535 -1.462 16.264 1.00 15.76 C ANISOU 803 CB ASN A 119 2014 1859 2114 -247 -39 -184 C ATOM 804 CG ASN A 119 3.923 -0.898 15.009 1.00 18.89 C ANISOU 804 CG ASN A 119 2372 2320 2483 -248 -42 -207 C ATOM 805 OD1 ASN A 119 2.700 -0.867 14.845 1.00 23.44 O ANISOU 805 OD1 ASN A 119 2922 2939 3044 -283 -44 -214 O ATOM 806 ND2 ASN A 119 4.762 -0.443 14.097 1.00 20.80 N ANISOU 806 ND2 ASN A 119 2609 2577 2718 -210 -44 -217 N ATOM 0 H ASN A 119 4.201 0.515 17.685 1.00 13.09 H new ATOM 0 HA ASN A 119 2.773 -1.720 17.332 1.00 13.67 H new ATOM 0 HB2 ASN A 119 5.370 -1.001 16.438 1.00 15.76 H new ATOM 0 HB3 ASN A 119 4.753 -2.395 16.112 1.00 15.76 H new ATOM 0 HD21 ASN A 119 4.461 -0.113 13.362 1.00 20.80 H new ATOM 0 HD22 ASN A 119 5.610 -0.477 14.238 1.00 20.80 H new ATOM 807 N THR A 120 4.348 -1.644 19.818 1.00 13.60 N ANISOU 807 N THR A 120 1780 1525 1863 -277 -29 -99 N ATOM 808 CA THR A 120 4.851 -2.370 20.980 1.00 14.02 C ANISOU 808 CA THR A 120 1874 1522 1932 -284 -30 -71 C ATOM 809 C THR A 120 3.695 -2.607 21.941 1.00 17.06 C ANISOU 809 C THR A 120 2256 1921 2305 -338 -21 -53 C ATOM 810 O THR A 120 2.881 -1.701 22.186 1.00 16.29 O ANISOU 810 O THR A 120 2119 1882 2187 -345 -13 -49 O ATOM 811 CB THR A 120 6.005 -1.594 21.653 1.00 15.11 C ANISOU 811 CB THR A 120 2014 1654 2073 -235 -33 -44 C ATOM 812 OG1 THR A 120 7.096 -1.476 20.739 1.00 18.11 O ANISOU 812 OG1 THR A 120 2394 2023 2464 -190 -39 -62 O ATOM 813 CG2 THR A 120 6.512 -2.281 22.918 1.00 17.30 C ANISOU 813 CG2 THR A 120 2330 1882 2361 -241 -38 -10 C ATOM 0 H THR A 120 4.127 -0.829 19.981 1.00 13.60 H new ATOM 0 HA THR A 120 5.214 -3.227 20.705 1.00 14.02 H new ATOM 0 HB THR A 120 5.656 -0.723 21.900 1.00 15.11 H new ATOM 0 HG1 THR A 120 6.952 -0.839 20.211 1.00 18.11 H new ATOM 0 HG21 THR A 120 7.233 -1.759 23.303 1.00 17.30 H new ATOM 0 HG22 THR A 120 5.788 -2.354 23.559 1.00 17.30 H new ATOM 0 HG23 THR A 120 6.838 -3.167 22.697 1.00 17.30 H new ATOM 814 N LYS A 121 3.613 -3.835 22.499 1.00 16.13 N ANISOU 814 N LYS A 121 2181 1748 2201 -376 -23 -41 N ATOM 815 CA LYS A 121 2.557 -4.180 23.441 1.00 16.58 C ANISOU 815 CA LYS A 121 2238 1816 2244 -434 -13 -21 C ATOM 816 C LYS A 121 2.543 -3.208 24.633 1.00 15.75 C ANISOU 816 C LYS A 121 2115 1751 2120 -421 -5 12 C ATOM 817 O LYS A 121 3.587 -2.942 25.235 1.00 17.18 O ANISOU 817 O LYS A 121 2314 1908 2306 -382 -12 35 O ATOM 818 CB LYS A 121 2.709 -5.637 23.912 1.00 19.32 C ANISOU 818 CB LYS A 121 2644 2087 2611 -472 -17 -5 C ATOM 819 CG LYS A 121 1.569 -6.043 24.848 1.00 24.96 C ANISOU 819 CG LYS A 121 3359 2817 3308 -543 -4 17 C ATOM 820 CD LYS A 121 1.500 -7.555 25.042 1.00 37.41 C ANISOU 820 CD LYS A 121 4994 4314 4905 -592 -7 27 C ATOM 821 CE LYS A 121 1.649 -7.956 26.485 1.00 54.34 C ANISOU 821 CE LYS A 121 7174 6428 7044 -613 -6 83 C ATOM 822 NZ LYS A 121 3.045 -7.767 26.957 1.00 65.69 N ANISOU 822 NZ LYS A 121 8638 7829 8494 -546 -21 111 N ATOM 0 H LYS A 121 4.166 -4.473 22.336 1.00 16.13 H new ATOM 0 HA LYS A 121 1.704 -4.098 22.986 1.00 16.58 H new ATOM 0 HB2 LYS A 121 2.724 -6.228 23.143 1.00 19.32 H new ATOM 0 HB3 LYS A 121 3.558 -5.744 24.368 1.00 19.32 H new ATOM 0 HG2 LYS A 121 1.689 -5.612 25.709 1.00 24.96 H new ATOM 0 HG3 LYS A 121 0.727 -5.725 24.487 1.00 24.96 H new ATOM 0 HD2 LYS A 121 0.652 -7.884 24.704 1.00 37.41 H new ATOM 0 HD3 LYS A 121 2.198 -7.978 24.518 1.00 37.41 H new ATOM 0 HE2 LYS A 121 1.046 -7.430 27.033 1.00 54.34 H new ATOM 0 HE3 LYS A 121 1.392 -8.885 26.593 1.00 54.34 H new ATOM 0 HZ1 LYS A 121 3.050 -7.683 27.843 1.00 65.69 H new ATOM 0 HZ2 LYS A 121 3.535 -8.472 26.724 1.00 65.69 H new ATOM 0 HZ3 LYS A 121 3.387 -7.033 26.587 1.00 65.69 H new ATOM 823 N GLY A 122 1.368 -2.654 24.915 1.00 13.99 N ANISOU 823 N GLY A 122 1852 1591 1874 -452 9 8 N ATOM 824 CA GLY A 122 1.195 -1.704 26.007 1.00 13.43 C ANISOU 824 CA GLY A 122 1759 1562 1781 -442 19 30 C ATOM 825 C GLY A 122 1.662 -0.295 25.709 1.00 12.60 C ANISOU 825 C GLY A 122 1622 1493 1673 -382 18 21 C ATOM 826 O GLY A 122 1.582 0.572 26.578 1.00 12.87 O ANISOU 826 O GLY A 122 1639 1559 1691 -370 27 33 O ATOM 0 H GLY A 122 0.647 -2.819 24.477 1.00 13.99 H new ATOM 0 HA2 GLY A 122 0.256 -1.675 26.247 1.00 13.43 H new ATOM 0 HA3 GLY A 122 1.676 -2.032 26.783 1.00 13.43 H new ATOM 827 N ASN A 123 2.128 -0.058 24.460 1.00 12.07 N ANISOU 827 N ASN A 123 1547 1420 1619 -347 7 -2 N ATOM 828 CA ASN A 123 2.578 1.268 24.023 1.00 11.23 C ANISOU 828 CA ASN A 123 1414 1343 1511 -294 5 -9 C ATOM 829 C ASN A 123 3.590 1.896 24.978 1.00 11.17 C ANISOU 829 C ASN A 123 1420 1320 1504 -261 4 14 C ATOM 830 O ASN A 123 3.445 3.028 25.461 1.00 11.95 O ANISOU 830 O ASN A 123 1496 1453 1591 -242 12 17 O ATOM 831 CB ASN A 123 1.380 2.186 23.799 1.00 13.38 C ANISOU 831 CB ASN A 123 1635 1683 1767 -297 15 -23 C ATOM 832 CG ASN A 123 0.399 1.537 22.863 1.00 18.39 C ANISOU 832 CG ASN A 123 2250 2338 2398 -332 13 -46 C ATOM 833 OD1 ASN A 123 0.736 1.122 21.740 1.00 18.47 O ANISOU 833 OD1 ASN A 123 2269 2333 2417 -325 2 -64 O ATOM 834 ND2 ASN A 123 -0.817 1.337 23.323 1.00 16.55 N ANISOU 834 ND2 ASN A 123 1993 2144 2151 -375 25 -49 N ATOM 0 H ASN A 123 2.188 -0.665 23.853 1.00 12.07 H new ATOM 0 HA ASN A 123 3.044 1.150 23.180 1.00 11.23 H new ATOM 0 HB2 ASN A 123 0.949 2.380 24.646 1.00 13.38 H new ATOM 0 HB3 ASN A 123 1.677 3.033 23.431 1.00 13.38 H new ATOM 0 HD21 ASN A 123 -1.393 0.913 22.845 1.00 16.55 H new ATOM 0 HD22 ASN A 123 -1.036 1.630 24.101 1.00 16.55 H new ATOM 835 N THR A 124 4.607 1.096 25.318 1.00 10.79 N ANISOU 835 N THR A 124 1412 1219 1468 -256 -6 30 N ATOM 836 CA THR A 124 5.656 1.483 26.249 1.00 11.30 C ANISOU 836 CA THR A 124 1493 1269 1532 -230 -11 53 C ATOM 837 C THR A 124 6.928 0.785 25.833 1.00 11.59 C ANISOU 837 C THR A 124 1560 1254 1591 -202 -27 57 C ATOM 838 O THR A 124 6.885 -0.407 25.498 1.00 13.11 O ANISOU 838 O THR A 124 1778 1406 1796 -220 -32 54 O ATOM 839 CB THR A 124 5.263 1.130 27.704 1.00 12.12 C ANISOU 839 CB THR A 124 1612 1375 1618 -265 -4 81 C ATOM 840 OG1 THR A 124 6.326 1.501 28.584 1.00 11.95 O ANISOU 840 OG1 THR A 124 1605 1344 1592 -239 -13 102 O ATOM 841 CG2 THR A 124 4.966 -0.372 27.940 1.00 13.78 C ANISOU 841 CG2 THR A 124 1858 1543 1833 -308 -8 96 C ATOM 0 H THR A 124 4.702 0.301 25.005 1.00 10.79 H new ATOM 0 HA THR A 124 5.789 2.444 26.224 1.00 11.30 H new ATOM 0 HB THR A 124 4.444 1.620 27.879 1.00 12.12 H new ATOM 0 HG1 THR A 124 6.235 2.305 28.810 1.00 11.95 H new ATOM 0 HG21 THR A 124 4.729 -0.513 28.870 1.00 13.78 H new ATOM 0 HG22 THR A 124 4.229 -0.649 27.373 1.00 13.78 H new ATOM 0 HG23 THR A 124 5.754 -0.896 27.725 1.00 13.78 H new ATOM 842 N LEU A 125 8.061 1.506 25.816 1.00 10.93 N ANISOU 842 N LEU A 125 1471 1170 1511 -160 -34 59 N ATOM 843 CA LEU A 125 9.339 0.876 25.460 1.00 10.16 C ANISOU 843 CA LEU A 125 1395 1031 1434 -129 -48 62 C ATOM 844 C LEU A 125 10.117 0.542 26.719 1.00 11.81 C ANISOU 844 C LEU A 125 1628 1217 1641 -123 -59 95 C ATOM 845 O LEU A 125 10.031 1.244 27.741 1.00 11.71 O ANISOU 845 O LEU A 125 1608 1233 1609 -130 -56 111 O ATOM 846 CB LEU A 125 10.150 1.831 24.573 1.00 9.86 C ANISOU 846 CB LEU A 125 1333 1013 1402 -89 -49 44 C ATOM 847 CG LEU A 125 9.462 2.347 23.301 1.00 10.52 C ANISOU 847 CG LEU A 125 1390 1126 1481 -90 -40 16 C ATOM 848 CD1 LEU A 125 10.464 3.087 22.420 1.00 11.37 C ANISOU 848 CD1 LEU A 125 1481 1245 1593 -53 -42 5 C ATOM 849 CD2 LEU A 125 8.842 1.222 22.463 1.00 12.57 C ANISOU 849 CD2 LEU A 125 1661 1367 1748 -112 -40 -4 C ATOM 0 H LEU A 125 8.109 2.344 26.004 1.00 10.93 H new ATOM 0 HA LEU A 125 9.170 0.055 24.972 1.00 10.16 H new ATOM 0 HB2 LEU A 125 10.407 2.597 25.110 1.00 9.86 H new ATOM 0 HB3 LEU A 125 10.968 1.380 24.312 1.00 9.86 H new ATOM 0 HG LEU A 125 8.753 2.938 23.600 1.00 10.52 H new ATOM 0 HD11 LEU A 125 10.018 3.408 21.621 1.00 11.37 H new ATOM 0 HD12 LEU A 125 10.831 3.840 22.909 1.00 11.37 H new ATOM 0 HD13 LEU A 125 11.182 2.484 22.169 1.00 11.37 H new ATOM 0 HD21 LEU A 125 8.422 1.600 21.674 1.00 12.57 H new ATOM 0 HD22 LEU A 125 9.535 0.600 22.193 1.00 12.57 H new ATOM 0 HD23 LEU A 125 8.176 0.754 22.991 1.00 12.57 H new ATOM 850 N LYS A 126 10.919 -0.545 26.634 1.00 12.99 N ANISOU 850 N LYS A 126 1807 1318 1812 -107 -73 103 N ATOM 851 CA LYS A 126 11.810 -0.949 27.713 1.00 13.42 C ANISOU 851 CA LYS A 126 1885 1350 1867 -92 -90 138 C ATOM 852 C LYS A 126 12.827 0.196 27.995 1.00 12.70 C ANISOU 852 C LYS A 126 1766 1293 1766 -58 -95 140 C ATOM 853 O LYS A 126 13.254 0.899 27.047 1.00 11.12 O ANISOU 853 O LYS A 126 1540 1111 1573 -34 -91 113 O ATOM 854 CB LYS A 126 12.638 -2.192 27.286 1.00 17.25 C ANISOU 854 CB LYS A 126 2398 1773 2381 -65 -105 140 C ATOM 855 CG LYS A 126 11.861 -3.510 27.131 1.00 23.17 C ANISOU 855 CG LYS A 126 3186 2471 3146 -98 -103 142 C ATOM 856 CD LYS A 126 12.767 -4.546 26.409 1.00 26.95 C ANISOU 856 CD LYS A 126 3688 2890 3661 -59 -116 128 C ATOM 857 CE LYS A 126 12.044 -5.821 26.054 1.00 46.06 C ANISOU 857 CE LYS A 126 6147 5252 6100 -92 -113 120 C ATOM 858 NZ LYS A 126 12.798 -6.618 25.046 1.00 58.59 N ANISOU 858 NZ LYS A 126 7750 6790 7722 -52 -119 88 N ATOM 0 H LYS A 126 10.951 -1.058 25.944 1.00 12.99 H new ATOM 0 HA LYS A 126 11.272 -1.148 28.495 1.00 13.42 H new ATOM 0 HB2 LYS A 126 13.071 -1.993 26.441 1.00 17.25 H new ATOM 0 HB3 LYS A 126 13.341 -2.329 27.940 1.00 17.25 H new ATOM 0 HG2 LYS A 126 11.594 -3.846 28.001 1.00 23.17 H new ATOM 0 HG3 LYS A 126 11.048 -3.363 26.622 1.00 23.17 H new ATOM 0 HD2 LYS A 126 13.123 -4.147 25.600 1.00 26.95 H new ATOM 0 HD3 LYS A 126 13.524 -4.758 26.978 1.00 26.95 H new ATOM 0 HE2 LYS A 126 11.912 -6.352 26.855 1.00 46.06 H new ATOM 0 HE3 LYS A 126 11.164 -5.608 25.706 1.00 46.06 H new ATOM 0 HZ1 LYS A 126 12.347 -7.362 24.858 1.00 58.59 H new ATOM 0 HZ2 LYS A 126 12.900 -6.138 24.304 1.00 58.59 H new ATOM 0 HZ3 LYS A 126 13.598 -6.831 25.374 1.00 58.59 H new ATOM 859 N GLU A 127 13.215 0.425 29.264 1.00 11.65 N ANISOU 859 N GLU A 127 1639 1173 1615 -60 -104 169 N ATOM 860 CA GLU A 127 14.180 1.454 29.603 1.00 12.01 C ANISOU 860 CA GLU A 127 1661 1252 1651 -35 -111 169 C ATOM 861 C GLU A 127 15.447 1.348 28.810 1.00 12.03 C ANISOU 861 C GLU A 127 1652 1242 1677 9 -123 157 C ATOM 862 O GLU A 127 15.980 2.391 28.414 1.00 11.62 O ANISOU 862 O GLU A 127 1571 1221 1622 24 -118 140 O ATOM 863 CB GLU A 127 14.589 1.392 31.073 1.00 15.22 C ANISOU 863 CB GLU A 127 2080 1669 2034 -41 -126 204 C ATOM 864 CG GLU A 127 13.712 2.232 31.940 1.00 20.44 C ANISOU 864 CG GLU A 127 2733 2371 2662 -77 -111 205 C ATOM 865 CD GLU A 127 14.234 2.343 33.352 1.00 15.19 C ANISOU 865 CD GLU A 127 2075 1728 1968 -82 -125 234 C ATOM 866 OE1 GLU A 127 15.440 2.641 33.546 1.00 17.89 O ANISOU 866 OE1 GLU A 127 2407 2080 2311 -54 -143 238 O ATOM 867 OE2 GLU A 127 13.413 2.110 34.261 1.00 19.43 O ANISOU 867 OE2 GLU A 127 2627 2276 2478 -118 -118 253 O ATOM 0 H GLU A 127 12.920 -0.017 29.940 1.00 11.65 H new ATOM 0 HA GLU A 127 13.725 2.286 29.400 1.00 12.01 H new ATOM 0 HB2 GLU A 127 14.555 0.472 31.377 1.00 15.22 H new ATOM 0 HB3 GLU A 127 15.508 1.687 31.164 1.00 15.22 H new ATOM 0 HG2 GLU A 127 13.636 3.119 31.555 1.00 20.44 H new ATOM 0 HG3 GLU A 127 12.819 1.853 31.957 1.00 20.44 H new ATOM 868 N GLU A 128 15.957 0.129 28.562 1.00 10.17 N ANISOU 868 N GLU A 128 1438 962 1464 31 -136 166 N ATOM 869 CA GLU A 128 17.220 0.023 27.824 1.00 9.63 C ANISOU 869 CA GLU A 128 1353 887 1417 78 -145 151 C ATOM 870 C GLU A 128 17.076 0.524 26.398 1.00 10.72 C ANISOU 870 C GLU A 128 1469 1041 1564 83 -127 111 C ATOM 871 O GLU A 128 18.041 1.073 25.838 1.00 10.58 O ANISOU 871 O GLU A 128 1423 1045 1550 111 -127 95 O ATOM 872 CB GLU A 128 17.710 -1.411 27.821 1.00 11.60 C ANISOU 872 CB GLU A 128 1633 1081 1692 105 -162 164 C ATOM 873 CG GLU A 128 18.213 -1.845 29.182 1.00 14.64 C ANISOU 873 CG GLU A 128 2036 1457 2068 112 -186 210 C ATOM 874 CD GLU A 128 18.891 -3.190 29.173 1.00 22.87 C ANISOU 874 CD GLU A 128 3107 2442 3141 150 -206 227 C ATOM 875 OE1 GLU A 128 18.659 -3.975 28.224 1.00 19.77 O ANISOU 875 OE1 GLU A 128 2732 2005 2776 159 -198 202 O ATOM 876 OE2 GLU A 128 19.654 -3.459 30.130 1.00 24.17 O ANISOU 876 OE2 GLU A 128 3277 2606 3300 173 -230 264 O ATOM 0 H GLU A 128 15.602 -0.617 28.802 1.00 10.17 H new ATOM 0 HA GLU A 128 17.871 0.583 28.275 1.00 9.63 H new ATOM 0 HB2 GLU A 128 16.989 -1.997 27.542 1.00 11.60 H new ATOM 0 HB3 GLU A 128 18.422 -1.507 27.169 1.00 11.60 H new ATOM 0 HG2 GLU A 128 18.835 -1.180 29.516 1.00 14.64 H new ATOM 0 HG3 GLU A 128 17.467 -1.871 29.801 1.00 14.64 H new ATOM 877 N TRP A 129 15.887 0.354 25.795 1.00 9.31 N ANISOU 877 N TRP A 129 1299 853 1384 55 -112 94 N ATOM 878 CA TRP A 129 15.650 0.917 24.454 1.00 9.10 C ANISOU 878 CA TRP A 129 1249 849 1359 57 -96 59 C ATOM 879 C TRP A 129 15.580 2.447 24.514 1.00 9.19 C ANISOU 879 C TRP A 129 1231 909 1351 49 -87 58 C ATOM 880 O TRP A 129 16.117 3.137 23.649 1.00 9.04 O ANISOU 880 O TRP A 129 1189 914 1334 66 -81 41 O ATOM 881 CB TRP A 129 14.322 0.424 23.889 1.00 9.20 C ANISOU 881 CB TRP A 129 1275 849 1371 24 -85 44 C ATOM 882 CG TRP A 129 14.250 -1.020 23.494 1.00 10.20 C ANISOU 882 CG TRP A 129 1432 923 1519 25 -90 34 C ATOM 883 CD1 TRP A 129 15.089 -2.045 23.829 1.00 12.01 C ANISOU 883 CD1 TRP A 129 1686 1106 1770 52 -105 45 C ATOM 884 CD2 TRP A 129 13.238 -1.577 22.674 1.00 11.37 C ANISOU 884 CD2 TRP A 129 1590 1061 1671 -2 -81 9 C ATOM 885 NE1 TRP A 129 14.658 -3.212 23.236 1.00 12.82 N ANISOU 885 NE1 TRP A 129 1817 1162 1892 43 -103 26 N ATOM 886 CE2 TRP A 129 13.530 -2.947 22.507 1.00 14.07 C ANISOU 886 CE2 TRP A 129 1965 1342 2037 6 -88 1 C ATOM 887 CE3 TRP A 129 12.097 -1.036 22.047 1.00 13.71 C ANISOU 887 CE3 TRP A 129 1867 1392 1949 -33 -68 -10 C ATOM 888 CZ2 TRP A 129 12.679 -3.809 21.781 1.00 14.55 C ANISOU 888 CZ2 TRP A 129 2045 1377 2106 -23 -82 -26 C ATOM 889 CZ3 TRP A 129 11.278 -1.859 21.297 1.00 15.51 C ANISOU 889 CZ3 TRP A 129 2108 1604 2183 -60 -63 -35 C ATOM 890 CH2 TRP A 129 11.568 -3.229 21.158 1.00 16.78 C ANISOU 890 CH2 TRP A 129 2305 1703 2368 -57 -69 -45 C ATOM 0 H TRP A 129 15.222 -0.072 26.135 1.00 9.31 H new ATOM 0 HA TRP A 129 16.386 0.632 23.890 1.00 9.10 H new ATOM 0 HB2 TRP A 129 13.632 0.592 24.550 1.00 9.20 H new ATOM 0 HB3 TRP A 129 14.106 0.961 23.111 1.00 9.20 H new ATOM 0 HD1 TRP A 129 15.838 -1.967 24.375 1.00 12.01 H new ATOM 0 HE1 TRP A 129 15.036 -3.981 23.312 1.00 12.82 H new ATOM 0 HE3 TRP A 129 11.897 -0.132 22.137 1.00 13.71 H new ATOM 0 HZ2 TRP A 129 12.849 -4.721 21.720 1.00 14.55 H new ATOM 0 HZ3 TRP A 129 10.527 -1.503 20.880 1.00 15.51 H new ATOM 0 HH2 TRP A 129 11.008 -3.761 20.640 1.00 16.78 H new ATOM 891 N ILE A 130 14.914 2.977 25.544 1.00 8.02 N ANISOU 891 N ILE A 130 1085 775 1185 24 -85 75 N ATOM 892 CA ILE A 130 14.800 4.424 25.690 1.00 7.96 C ANISOU 892 CA ILE A 130 1055 807 1163 18 -76 72 C ATOM 893 C ILE A 130 16.190 5.030 25.884 1.00 8.74 C ANISOU 893 C ILE A 130 1138 919 1263 41 -85 75 C ATOM 894 O ILE A 130 16.472 6.078 25.283 1.00 8.97 O ANISOU 894 O ILE A 130 1146 972 1291 46 -77 63 O ATOM 895 CB ILE A 130 13.877 4.768 26.877 1.00 8.68 C ANISOU 895 CB ILE A 130 1154 911 1235 -11 -71 85 C ATOM 896 CG1 ILE A 130 12.485 4.176 26.634 1.00 9.20 C ANISOU 896 CG1 ILE A 130 1228 969 1298 -39 -61 80 C ATOM 897 CG2 ILE A 130 13.824 6.284 27.117 1.00 9.58 C ANISOU 897 CG2 ILE A 130 1247 1057 1336 -14 -62 78 C ATOM 898 CD1 ILE A 130 11.474 4.450 27.737 1.00 10.72 C ANISOU 898 CD1 ILE A 130 1423 1180 1469 -70 -52 91 C ATOM 0 H ILE A 130 14.526 2.519 26.160 1.00 8.02 H new ATOM 0 HA ILE A 130 14.407 4.800 24.887 1.00 7.96 H new ATOM 0 HB ILE A 130 14.238 4.372 27.686 1.00 8.68 H new ATOM 0 HG12 ILE A 130 12.138 4.529 25.800 1.00 9.20 H new ATOM 0 HG13 ILE A 130 12.571 3.216 26.522 1.00 9.20 H new ATOM 0 HG21 ILE A 130 13.238 6.473 27.867 1.00 9.58 H new ATOM 0 HG22 ILE A 130 14.716 6.612 27.313 1.00 9.58 H new ATOM 0 HG23 ILE A 130 13.485 6.726 26.323 1.00 9.58 H new ATOM 0 HD11 ILE A 130 10.624 4.043 27.506 1.00 10.72 H new ATOM 0 HD12 ILE A 130 11.796 4.074 28.572 1.00 10.72 H new ATOM 0 HD13 ILE A 130 11.357 5.408 27.838 1.00 10.72 H new ATOM 899 N ALA A 131 17.060 4.423 26.704 1.00 8.15 N ANISOU 899 N ALA A 131 1072 834 1191 55 -102 93 N ATOM 900 CA ALA A 131 18.404 4.955 26.899 1.00 8.22 C ANISOU 900 CA ALA A 131 1059 863 1199 75 -113 95 C ATOM 901 C ALA A 131 19.177 4.988 25.580 1.00 8.51 C ANISOU 901 C ALA A 131 1076 906 1252 100 -107 74 C ATOM 902 O ALA A 131 19.867 5.987 25.300 1.00 9.04 O ANISOU 902 O ALA A 131 1117 1002 1314 102 -103 67 O ATOM 903 CB ALA A 131 19.142 4.126 27.950 1.00 9.72 C ANISOU 903 CB ALA A 131 1261 1043 1388 89 -136 121 C ATOM 0 H ALA A 131 16.888 3.708 27.150 1.00 8.15 H new ATOM 0 HA ALA A 131 18.335 5.869 27.217 1.00 8.22 H new ATOM 0 HB1 ALA A 131 20.035 4.484 28.076 1.00 9.72 H new ATOM 0 HB2 ALA A 131 18.658 4.163 28.790 1.00 9.72 H new ATOM 0 HB3 ALA A 131 19.202 3.205 27.652 1.00 9.72 H new ATOM 904 N TYR A 132 19.083 3.938 24.791 1.00 8.36 N ANISOU 904 N TYR A 132 1067 861 1249 116 -107 64 N ATOM 905 CA TYR A 132 19.793 3.893 23.527 1.00 8.30 C ANISOU 905 CA TYR A 132 1039 863 1253 140 -99 40 C ATOM 906 C TYR A 132 19.270 4.984 22.602 1.00 8.84 C ANISOU 906 C TYR A 132 1091 957 1309 122 -80 25 C ATOM 907 O TYR A 132 20.064 5.752 22.039 1.00 8.95 O ANISOU 907 O TYR A 132 1079 1000 1319 129 -74 17 O ATOM 908 CB TYR A 132 19.626 2.509 22.917 1.00 9.80 C ANISOU 908 CB TYR A 132 1248 1014 1460 157 -101 26 C ATOM 909 CG TYR A 132 20.094 2.414 21.476 1.00 11.10 C ANISOU 909 CG TYR A 132 1394 1192 1631 177 -88 -6 C ATOM 910 CD1 TYR A 132 21.451 2.452 21.158 1.00 15.75 C ANISOU 910 CD1 TYR A 132 1956 1802 2228 210 -90 -15 C ATOM 911 CD2 TYR A 132 19.179 2.286 20.434 1.00 11.98 C ANISOU 911 CD2 TYR A 132 1512 1301 1738 161 -74 -29 C ATOM 912 CE1 TYR A 132 21.878 2.365 19.828 1.00 17.06 C ANISOU 912 CE1 TYR A 132 2101 1985 2394 226 -76 -47 C ATOM 913 CE2 TYR A 132 19.591 2.221 19.103 1.00 13.82 C ANISOU 913 CE2 TYR A 132 1728 1553 1971 176 -62 -59 C ATOM 914 CZ TYR A 132 20.939 2.261 18.814 1.00 16.49 C ANISOU 914 CZ TYR A 132 2040 1911 2314 208 -61 -69 C ATOM 915 OH TYR A 132 21.349 2.201 17.490 1.00 19.28 O ANISOU 915 OH TYR A 132 2374 2290 2662 222 -46 -101 O ATOM 0 H TYR A 132 18.614 3.239 24.966 1.00 8.36 H new ATOM 0 HA TYR A 132 20.739 4.056 23.664 1.00 8.30 H new ATOM 0 HB2 TYR A 132 20.120 1.867 23.452 1.00 9.80 H new ATOM 0 HB3 TYR A 132 18.691 2.256 22.962 1.00 9.80 H new ATOM 0 HD1 TYR A 132 22.080 2.536 21.838 1.00 15.75 H new ATOM 0 HD2 TYR A 132 18.271 2.243 20.630 1.00 11.98 H new ATOM 0 HE1 TYR A 132 22.786 2.377 19.626 1.00 17.06 H new ATOM 0 HE2 TYR A 132 18.965 2.152 18.419 1.00 13.82 H new ATOM 0 HH TYR A 132 20.697 1.992 17.004 1.00 19.28 H new ATOM 916 N ILE A 133 17.951 5.072 22.425 1.00 8.10 N ANISOU 916 N ILE A 133 1012 857 1209 98 -72 23 N ATOM 917 CA ILE A 133 17.382 6.061 21.504 1.00 8.10 C ANISOU 917 CA ILE A 133 998 882 1198 86 -57 12 C ATOM 918 C ILE A 133 17.671 7.471 21.993 1.00 8.39 C ANISOU 918 C ILE A 133 1022 941 1226 76 -54 24 C ATOM 919 O ILE A 133 18.071 8.320 21.178 1.00 9.01 O ANISOU 919 O ILE A 133 1082 1040 1300 78 -45 19 O ATOM 920 CB ILE A 133 15.885 5.777 21.320 1.00 8.50 C ANISOU 920 CB ILE A 133 1063 924 1244 65 -51 8 C ATOM 921 CG1 ILE A 133 15.703 4.404 20.635 1.00 9.06 C ANISOU 921 CG1 ILE A 133 1147 970 1324 70 -53 -10 C ATOM 922 CG2 ILE A 133 15.199 6.895 20.497 1.00 9.75 C ANISOU 922 CG2 ILE A 133 1206 1109 1390 55 -40 4 C ATOM 923 CD1 ILE A 133 14.208 3.905 20.681 1.00 11.16 C ANISOU 923 CD1 ILE A 133 1429 1227 1587 41 -50 -13 C ATOM 0 H ILE A 133 17.373 4.575 22.823 1.00 8.10 H new ATOM 0 HA ILE A 133 17.800 5.989 20.631 1.00 8.10 H new ATOM 0 HB ILE A 133 15.462 5.758 22.193 1.00 8.50 H new ATOM 0 HG12 ILE A 133 15.993 4.465 19.711 1.00 9.06 H new ATOM 0 HG13 ILE A 133 16.273 3.750 21.069 1.00 9.06 H new ATOM 0 HG21 ILE A 133 14.256 6.691 20.396 1.00 9.75 H new ATOM 0 HG22 ILE A 133 15.298 7.743 20.957 1.00 9.75 H new ATOM 0 HG23 ILE A 133 15.612 6.953 19.621 1.00 9.75 H new ATOM 0 HD11 ILE A 133 14.141 3.043 20.241 1.00 11.16 H new ATOM 0 HD12 ILE A 133 13.923 3.820 21.604 1.00 11.16 H new ATOM 0 HD13 ILE A 133 13.639 4.545 20.226 1.00 11.16 H new ATOM 924 N CYS A 134 17.527 7.751 23.296 1.00 8.03 N ANISOU 924 N CYS A 134 985 892 1176 65 -60 38 N ATOM 925 CA CYS A 134 17.843 9.098 23.803 1.00 8.08 C ANISOU 925 CA CYS A 134 981 915 1175 54 -57 43 C ATOM 926 C CYS A 134 19.293 9.455 23.574 1.00 9.02 C ANISOU 926 C CYS A 134 1079 1051 1297 64 -61 42 C ATOM 927 O CYS A 134 19.597 10.603 23.261 1.00 8.91 O ANISOU 927 O CYS A 134 1053 1051 1279 54 -53 40 O ATOM 928 CB CYS A 134 17.503 9.231 25.281 1.00 8.77 C ANISOU 928 CB CYS A 134 1080 999 1252 39 -64 53 C ATOM 929 SG CYS A 134 15.742 9.311 25.622 1.00 11.19 S ANISOU 929 SG CYS A 134 1402 1300 1551 20 -53 52 S ATOM 0 H CYS A 134 17.255 7.192 23.890 1.00 8.03 H new ATOM 0 HA CYS A 134 17.293 9.720 23.302 1.00 8.08 H new ATOM 0 HB2 CYS A 134 17.882 8.477 25.759 1.00 8.77 H new ATOM 0 HB3 CYS A 134 17.927 10.030 25.630 1.00 8.77 H new ATOM 0 HG CYS A 134 15.567 9.412 26.805 1.00 11.19 H new ATOM 930 N ARG A 135 20.229 8.508 23.795 1.00 7.74 N ANISOU 930 N ARG A 135 912 887 1141 83 -74 43 N ATOM 931 CA ARG A 135 21.622 8.847 23.577 1.00 8.07 C ANISOU 931 CA ARG A 135 927 955 1186 93 -77 40 C ATOM 932 C ARG A 135 21.843 9.204 22.120 1.00 8.87 C ANISOU 932 C ARG A 135 1011 1071 1288 96 -61 27 C ATOM 933 O ARG A 135 22.586 10.165 21.837 1.00 9.14 O ANISOU 933 O ARG A 135 1025 1130 1317 85 -55 26 O ATOM 934 CB ARG A 135 22.513 7.667 23.961 1.00 9.18 C ANISOU 934 CB ARG A 135 1061 1092 1335 122 -95 43 C ATOM 935 CG ARG A 135 24.005 7.969 23.757 1.00 10.20 C ANISOU 935 CG ARG A 135 1153 1255 1465 134 -99 38 C ATOM 936 CD ARG A 135 24.812 6.702 23.933 1.00 11.61 C ANISOU 936 CD ARG A 135 1324 1429 1657 174 -116 39 C ATOM 937 NE ARG A 135 24.616 5.843 22.766 1.00 14.57 N ANISOU 937 NE ARG A 135 1703 1787 2045 197 -104 21 N ATOM 938 CZ ARG A 135 25.025 4.578 22.698 1.00 17.62 C ANISOU 938 CZ ARG A 135 2093 2153 2449 236 -115 16 C ATOM 939 NH1 ARG A 135 25.614 4.003 23.748 1.00 16.54 N ANISOU 939 NH1 ARG A 135 1956 2010 2318 257 -139 35 N ATOM 940 NH2 ARG A 135 24.838 3.875 21.590 1.00 18.88 N ANISOU 940 NH2 ARG A 135 2257 2299 2619 254 -102 -8 N ATOM 0 H ARG A 135 20.075 7.704 24.059 1.00 7.74 H new ATOM 0 HA ARG A 135 21.851 9.610 24.130 1.00 8.07 H new ATOM 0 HB2 ARG A 135 22.357 7.436 24.890 1.00 9.18 H new ATOM 0 HB3 ARG A 135 22.267 6.893 23.431 1.00 9.18 H new ATOM 0 HG2 ARG A 135 24.151 8.335 22.871 1.00 10.20 H new ATOM 0 HG3 ARG A 135 24.298 8.640 24.393 1.00 10.20 H new ATOM 0 HD2 ARG A 135 25.752 6.916 24.037 1.00 11.61 H new ATOM 0 HD3 ARG A 135 24.536 6.239 24.739 1.00 11.61 H new ATOM 0 HE ARG A 135 24.212 6.175 22.083 1.00 14.57 H new ATOM 0 HH11 ARG A 135 25.731 4.450 24.473 1.00 16.54 H new ATOM 0 HH12 ARG A 135 25.877 3.186 23.699 1.00 16.54 H new ATOM 0 HH21 ARG A 135 24.451 4.236 20.912 1.00 18.88 H new ATOM 0 HH22 ARG A 135 25.103 3.058 21.549 1.00 18.88 H new ATOM 941 N GLU A 136 21.220 8.458 21.188 1.00 8.07 N ANISOU 941 N GLU A 136 919 958 1189 107 -54 16 N ATOM 942 CA GLU A 136 21.440 8.746 19.777 1.00 8.63 C ANISOU 942 CA GLU A 136 974 1051 1256 109 -39 4 C ATOM 943 C GLU A 136 20.840 10.109 19.412 1.00 9.17 C ANISOU 943 C GLU A 136 1044 1129 1313 84 -27 13 C ATOM 944 O GLU A 136 21.460 10.884 18.664 1.00 9.67 O ANISOU 944 O GLU A 136 1090 1217 1369 77 -17 15 O ATOM 945 CB GLU A 136 20.871 7.621 18.924 1.00 9.65 C ANISOU 945 CB GLU A 136 1113 1166 1387 124 -36 -14 C ATOM 946 CG GLU A 136 21.535 6.261 19.145 1.00 10.10 C ANISOU 946 CG GLU A 136 1171 1206 1460 154 -46 -26 C ATOM 947 CD GLU A 136 23.036 6.257 18.940 1.00 12.32 C ANISOU 947 CD GLU A 136 1421 1517 1745 176 -45 -34 C ATOM 948 OE1 GLU A 136 23.467 6.305 17.767 1.00 13.66 O ANISOU 948 OE1 GLU A 136 1570 1713 1907 183 -31 -53 O ATOM 949 OE2 GLU A 136 23.784 6.226 19.943 1.00 13.69 O ANISOU 949 OE2 GLU A 136 1586 1691 1926 185 -60 -21 O ATOM 0 H GLU A 136 20.686 7.805 21.353 1.00 8.07 H new ATOM 0 HA GLU A 136 22.392 8.796 19.600 1.00 8.63 H new ATOM 0 HB2 GLU A 136 19.922 7.539 19.108 1.00 9.65 H new ATOM 0 HB3 GLU A 136 20.959 7.863 17.989 1.00 9.65 H new ATOM 0 HG2 GLU A 136 21.342 5.962 20.047 1.00 10.10 H new ATOM 0 HG3 GLU A 136 21.135 5.616 18.541 1.00 10.10 H new ATOM 950 N ILE A 137 19.654 10.457 19.959 1.00 8.67 N ANISOU 950 N ILE A 137 1001 1046 1248 71 -29 22 N ATOM 951 CA ILE A 137 19.085 11.775 19.710 1.00 8.21 C ANISOU 951 CA ILE A 137 946 990 1183 55 -20 32 C ATOM 952 C ILE A 137 20.023 12.822 20.271 1.00 10.16 C ANISOU 952 C ILE A 137 1184 1244 1432 40 -19 39 C ATOM 953 O ILE A 137 20.291 13.842 19.602 1.00 9.97 O ANISOU 953 O ILE A 137 1154 1229 1404 28 -10 47 O ATOM 954 CB ILE A 137 17.683 11.913 20.333 1.00 8.64 C ANISOU 954 CB ILE A 137 1018 1025 1237 48 -21 36 C ATOM 955 CG1 ILE A 137 16.678 10.924 19.723 1.00 9.60 C ANISOU 955 CG1 ILE A 137 1147 1145 1357 55 -21 27 C ATOM 956 CG2 ILE A 137 17.190 13.371 20.224 1.00 10.19 C ANISOU 956 CG2 ILE A 137 1219 1221 1433 38 -13 46 C ATOM 957 CD1 ILE A 137 15.428 10.777 20.591 1.00 9.41 C ANISOU 957 CD1 ILE A 137 1136 1107 1333 47 -24 29 C ATOM 0 H ILE A 137 19.182 9.947 20.465 1.00 8.67 H new ATOM 0 HA ILE A 137 18.984 11.900 18.753 1.00 8.21 H new ATOM 0 HB ILE A 137 17.751 11.685 21.273 1.00 8.64 H new ATOM 0 HG12 ILE A 137 16.423 11.227 18.837 1.00 9.60 H new ATOM 0 HG13 ILE A 137 17.101 10.058 19.616 1.00 9.60 H new ATOM 0 HG21 ILE A 137 16.307 13.445 20.619 1.00 10.19 H new ATOM 0 HG22 ILE A 137 17.804 13.956 20.694 1.00 10.19 H new ATOM 0 HG23 ILE A 137 17.148 13.630 19.290 1.00 10.19 H new ATOM 0 HD11 ILE A 137 14.818 10.147 20.176 1.00 9.41 H new ATOM 0 HD12 ILE A 137 15.680 10.452 21.469 1.00 9.41 H new ATOM 0 HD13 ILE A 137 14.992 11.639 20.679 1.00 9.41 H new ATOM 958 N LEU A 138 20.518 12.637 21.493 1.00 8.63 N ANISOU 958 N LEU A 138 991 1047 1242 38 -31 39 N ATOM 959 CA LEU A 138 21.433 13.612 22.083 1.00 9.40 C ANISOU 959 CA LEU A 138 1079 1154 1339 20 -32 41 C ATOM 960 C LEU A 138 22.706 13.771 21.275 1.00 9.58 C ANISOU 960 C LEU A 138 1074 1205 1360 17 -27 40 C ATOM 961 O LEU A 138 23.220 14.896 21.194 1.00 9.81 O ANISOU 961 O LEU A 138 1097 1242 1388 -7 -20 44 O ATOM 962 CB LEU A 138 21.781 13.203 23.512 1.00 10.62 C ANISOU 962 CB LEU A 138 1236 1309 1493 19 -48 40 C ATOM 963 CG LEU A 138 20.749 13.509 24.565 1.00 12.95 C ANISOU 963 CG LEU A 138 1554 1584 1783 8 -50 41 C ATOM 964 CD1 LEU A 138 21.076 12.748 25.860 1.00 14.44 C ANISOU 964 CD1 LEU A 138 1744 1778 1964 11 -67 44 C ATOM 965 CD2 LEU A 138 20.726 15.030 24.882 1.00 15.84 C ANISOU 965 CD2 LEU A 138 1925 1944 2148 -17 -41 37 C ATOM 0 H LEU A 138 20.339 11.961 21.993 1.00 8.63 H new ATOM 0 HA LEU A 138 20.978 14.468 22.084 1.00 9.40 H new ATOM 0 HB2 LEU A 138 21.952 12.248 23.522 1.00 10.62 H new ATOM 0 HB3 LEU A 138 22.609 13.642 23.761 1.00 10.62 H new ATOM 0 HG LEU A 138 19.883 13.234 24.225 1.00 12.95 H new ATOM 0 HD11 LEU A 138 20.407 12.951 26.532 1.00 14.44 H new ATOM 0 HD12 LEU A 138 21.078 11.794 25.683 1.00 14.44 H new ATOM 0 HD13 LEU A 138 21.950 13.018 26.183 1.00 14.44 H new ATOM 0 HD21 LEU A 138 20.057 15.209 25.561 1.00 15.84 H new ATOM 0 HD22 LEU A 138 21.597 15.306 25.206 1.00 15.84 H new ATOM 0 HD23 LEU A 138 20.509 15.525 24.077 1.00 15.84 H new ATOM 966 N ARG A 139 23.228 12.706 20.688 1.00 8.86 N ANISOU 966 N ARG A 139 967 1130 1270 40 -28 32 N ATOM 967 CA ARG A 139 24.413 12.865 19.839 1.00 8.77 C ANISOU 967 CA ARG A 139 924 1153 1254 39 -20 27 C ATOM 968 C ARG A 139 24.093 13.705 18.607 1.00 9.63 C ANISOU 968 C ARG A 139 1035 1269 1353 22 -1 35 C ATOM 969 O ARG A 139 24.891 14.556 18.201 1.00 10.05 O ANISOU 969 O ARG A 139 1072 1346 1401 -1 9 40 O ATOM 970 CB ARG A 139 24.943 11.499 19.426 1.00 10.22 C ANISOU 970 CB ARG A 139 1090 1350 1442 73 -23 12 C ATOM 971 CG ARG A 139 25.565 10.720 20.575 1.00 11.80 C ANISOU 971 CG ARG A 139 1282 1549 1651 92 -44 11 C ATOM 972 CD ARG A 139 25.750 9.296 20.185 1.00 20.80 C ANISOU 972 CD ARG A 139 2419 2684 2801 132 -48 -2 C ATOM 973 NE ARG A 139 26.696 8.650 21.078 1.00 31.02 N ANISOU 973 NE ARG A 139 3695 3987 4104 155 -68 -1 N ATOM 974 CZ ARG A 139 27.124 7.409 20.908 1.00 42.50 C ANISOU 974 CZ ARG A 139 5142 5435 5571 197 -76 -12 C ATOM 975 NH1 ARG A 139 26.682 6.678 19.882 1.00 27.83 N ANISOU 975 NH1 ARG A 139 3294 3562 3718 215 -63 -30 N ATOM 976 NH2 ARG A 139 27.984 6.878 21.765 1.00 30.19 N ANISOU 976 NH2 ARG A 139 3567 3884 4020 222 -97 -5 N ATOM 0 H ARG A 139 22.928 11.903 20.760 1.00 8.86 H new ATOM 0 HA ARG A 139 25.096 13.329 20.349 1.00 8.77 H new ATOM 0 HB2 ARG A 139 24.217 10.979 19.047 1.00 10.22 H new ATOM 0 HB3 ARG A 139 25.605 11.614 18.726 1.00 10.22 H new ATOM 0 HG2 ARG A 139 26.420 11.111 20.815 1.00 11.80 H new ATOM 0 HG3 ARG A 139 24.997 10.777 21.359 1.00 11.80 H new ATOM 0 HD2 ARG A 139 24.899 8.832 20.215 1.00 20.80 H new ATOM 0 HD3 ARG A 139 26.070 9.243 19.271 1.00 20.80 H new ATOM 0 HE ARG A 139 26.993 9.096 21.751 1.00 31.02 H new ATOM 0 HH11 ARG A 139 26.116 7.013 19.327 1.00 27.83 H new ATOM 0 HH12 ARG A 139 26.963 5.872 19.776 1.00 27.83 H new ATOM 0 HH21 ARG A 139 28.265 7.340 22.434 1.00 30.19 H new ATOM 0 HH22 ARG A 139 28.261 6.072 21.653 1.00 30.19 H new ATOM 977 N GLY A 140 22.928 13.483 18.004 1.00 8.22 N ANISOU 977 N GLY A 140 877 1075 1172 31 3 36 N ATOM 978 CA GLY A 140 22.525 14.296 16.855 1.00 8.89 C ANISOU 978 CA GLY A 140 966 1168 1244 17 17 49 C ATOM 979 C GLY A 140 22.324 15.748 17.256 1.00 8.24 C ANISOU 979 C GLY A 140 898 1065 1165 -9 20 68 C ATOM 980 O GLY A 140 22.779 16.670 16.553 1.00 9.30 O ANISOU 980 O GLY A 140 1029 1212 1292 -31 31 83 O ATOM 0 H GLY A 140 22.364 12.878 18.238 1.00 8.22 H new ATOM 0 HA2 GLY A 140 23.201 14.239 16.162 1.00 8.89 H new ATOM 0 HA3 GLY A 140 21.703 13.945 16.479 1.00 8.89 H new ATOM 981 N LEU A 141 21.688 15.978 18.409 1.00 8.57 N ANISOU 981 N LEU A 141 960 1077 1220 -10 10 67 N ATOM 982 CA LEU A 141 21.501 17.331 18.903 1.00 9.14 C ANISOU 982 CA LEU A 141 1050 1125 1299 -32 13 79 C ATOM 983 C LEU A 141 22.814 17.994 19.262 1.00 10.31 C ANISOU 983 C LEU A 141 1183 1285 1448 -61 15 78 C ATOM 984 O LEU A 141 22.967 19.200 18.997 1.00 10.02 O ANISOU 984 O LEU A 141 1157 1236 1415 -87 24 91 O ATOM 985 CB LEU A 141 20.550 17.373 20.104 1.00 8.96 C ANISOU 985 CB LEU A 141 1047 1073 1286 -26 5 71 C ATOM 986 CG LEU A 141 19.091 17.071 19.825 1.00 9.47 C ANISOU 986 CG LEU A 141 1125 1123 1348 -6 5 74 C ATOM 987 CD1 LEU A 141 18.295 17.050 21.113 1.00 11.19 C ANISOU 987 CD1 LEU A 141 1357 1321 1572 -2 0 63 C ATOM 988 CD2 LEU A 141 18.463 18.069 18.794 1.00 11.04 C ANISOU 988 CD2 LEU A 141 1335 1313 1547 -6 13 93 C ATOM 0 H LEU A 141 21.361 15.363 18.913 1.00 8.57 H new ATOM 0 HA LEU A 141 21.099 17.830 18.175 1.00 9.14 H new ATOM 0 HB2 LEU A 141 20.869 16.740 20.766 1.00 8.96 H new ATOM 0 HB3 LEU A 141 20.606 18.255 20.504 1.00 8.96 H new ATOM 0 HG LEU A 141 19.053 16.190 19.422 1.00 9.47 H new ATOM 0 HD11 LEU A 141 17.365 16.856 20.916 1.00 11.19 H new ATOM 0 HD12 LEU A 141 18.650 16.366 21.702 1.00 11.19 H new ATOM 0 HD13 LEU A 141 18.359 17.915 21.547 1.00 11.19 H new ATOM 0 HD21 LEU A 141 17.532 17.839 18.646 1.00 11.04 H new ATOM 0 HD22 LEU A 141 18.521 18.973 19.142 1.00 11.04 H new ATOM 0 HD23 LEU A 141 18.946 18.014 17.955 1.00 11.04 H new ATOM 989 N SER A 142 23.745 17.266 19.875 1.00 9.36 N ANISOU 989 N SER A 142 1040 1188 1328 -58 6 64 N ATOM 990 CA SER A 142 25.035 17.849 20.216 1.00 10.16 C ANISOU 990 CA SER A 142 1120 1311 1429 -87 7 61 C ATOM 991 C SER A 142 25.729 18.352 18.952 1.00 10.60 C ANISOU 991 C SER A 142 1159 1392 1476 -106 23 73 C ATOM 992 O SER A 142 26.282 19.457 18.945 1.00 10.53 O ANISOU 992 O SER A 142 1151 1382 1468 -145 31 81 O ATOM 993 CB SER A 142 25.858 16.789 20.902 1.00 11.55 C ANISOU 993 CB SER A 142 1269 1516 1603 -70 -8 47 C ATOM 994 OG SER A 142 27.134 17.336 21.212 1.00 18.27 O ANISOU 994 OG SER A 142 2093 2397 2452 -99 -9 42 O ATOM 0 H SER A 142 23.649 16.441 20.099 1.00 9.36 H new ATOM 0 HA SER A 142 24.923 18.607 20.810 1.00 10.16 H new ATOM 0 HB2 SER A 142 25.414 16.489 21.711 1.00 11.55 H new ATOM 0 HB3 SER A 142 25.955 16.013 20.328 1.00 11.55 H new ATOM 0 HG SER A 142 27.603 16.754 21.596 1.00 18.27 H new ATOM 995 N HIS A 143 25.686 17.565 17.878 1.00 9.14 N ANISOU 995 N HIS A 143 961 1231 1281 -84 30 73 N ATOM 996 CA HIS A 143 26.267 17.961 16.599 1.00 9.63 C ANISOU 996 CA HIS A 143 1006 1325 1328 -102 49 84 C ATOM 997 C HIS A 143 25.586 19.230 16.080 1.00 10.05 C ANISOU 997 C HIS A 143 1091 1348 1380 -127 58 112 C ATOM 998 O HIS A 143 26.261 20.203 15.719 1.00 10.60 O ANISOU 998 O HIS A 143 1157 1425 1445 -165 69 127 O ATOM 999 CB HIS A 143 26.102 16.777 15.633 1.00 10.57 C ANISOU 999 CB HIS A 143 1111 1471 1434 -68 53 73 C ATOM 1000 CG HIS A 143 26.263 17.145 14.206 1.00 10.99 C ANISOU 1000 CG HIS A 143 1156 1554 1465 -82 72 87 C ATOM 1001 ND1 HIS A 143 27.489 17.488 13.697 1.00 12.91 N ANISOU 1001 ND1 HIS A 143 1367 1843 1696 -109 87 88 N ATOM 1002 CD2 HIS A 143 25.342 17.182 13.218 1.00 11.87 C ANISOU 1002 CD2 HIS A 143 1286 1662 1562 -75 78 99 C ATOM 1003 CE1 HIS A 143 27.285 17.725 12.403 1.00 13.49 C ANISOU 1003 CE1 HIS A 143 1443 1939 1745 -117 103 103 C ATOM 1004 NE2 HIS A 143 26.010 17.551 12.075 1.00 13.39 N ANISOU 1004 NE2 HIS A 143 1460 1898 1730 -97 97 111 N ATOM 0 H HIS A 143 25.319 16.787 17.872 1.00 9.14 H new ATOM 0 HA HIS A 143 27.209 18.172 16.689 1.00 9.63 H new ATOM 0 HB2 HIS A 143 26.752 16.093 15.858 1.00 10.57 H new ATOM 0 HB3 HIS A 143 25.224 16.386 15.761 1.00 10.57 H new ATOM 0 HD2 HIS A 143 24.434 16.995 13.296 1.00 11.87 H new ATOM 0 HE1 HIS A 143 27.950 17.980 11.805 1.00 13.49 H new ATOM 0 HE2 HIS A 143 25.666 17.651 11.293 1.00 13.39 H new ATOM 1005 N LEU A 144 24.251 19.269 16.134 1.00 9.09 N ANISOU 1005 N LEU A 144 1001 1189 1264 -106 52 119 N ATOM 1006 CA LEU A 144 23.557 20.464 15.656 1.00 9.20 C ANISOU 1006 CA LEU A 144 1046 1171 1280 -121 58 147 C ATOM 1007 C LEU A 144 23.872 21.692 16.503 1.00 10.65 C ANISOU 1007 C LEU A 144 1248 1319 1482 -154 58 152 C ATOM 1008 O LEU A 144 24.196 22.754 15.972 1.00 10.03 O ANISOU 1008 O LEU A 144 1180 1229 1402 -186 69 176 O ATOM 1009 CB LEU A 144 22.057 20.222 15.607 1.00 9.15 C ANISOU 1009 CB LEU A 144 1062 1138 1277 -88 50 151 C ATOM 1010 CG LEU A 144 21.587 19.172 14.588 1.00 9.92 C ANISOU 1010 CG LEU A 144 1147 1268 1354 -62 50 147 C ATOM 1011 CD1 LEU A 144 20.090 18.968 14.689 1.00 11.25 C ANISOU 1011 CD1 LEU A 144 1334 1413 1527 -35 41 148 C ATOM 1012 CD2 LEU A 144 21.945 19.598 13.135 1.00 13.03 C ANISOU 1012 CD2 LEU A 144 1534 1693 1723 -77 63 171 C ATOM 0 H LEU A 144 23.747 18.639 16.432 1.00 9.09 H new ATOM 0 HA LEU A 144 23.879 20.644 14.759 1.00 9.20 H new ATOM 0 HB2 LEU A 144 21.761 19.949 16.489 1.00 9.15 H new ATOM 0 HB3 LEU A 144 21.616 21.063 15.408 1.00 9.15 H new ATOM 0 HG LEU A 144 22.044 18.342 14.794 1.00 9.92 H new ATOM 0 HD11 LEU A 144 19.809 18.303 14.041 1.00 11.25 H new ATOM 0 HD12 LEU A 144 19.864 18.663 15.582 1.00 11.25 H new ATOM 0 HD13 LEU A 144 19.636 19.806 14.509 1.00 11.25 H new ATOM 0 HD21 LEU A 144 21.638 18.919 12.514 1.00 13.03 H new ATOM 0 HD22 LEU A 144 21.514 20.442 12.930 1.00 13.03 H new ATOM 0 HD23 LEU A 144 22.906 19.698 13.055 1.00 13.03 H new ATOM 1013 N HIS A 145 23.852 21.534 17.828 1.00 9.70 N ANISOU 1013 N HIS A 145 1129 1181 1375 -151 47 129 N ATOM 1014 CA HIS A 145 24.085 22.653 18.737 1.00 10.29 C ANISOU 1014 CA HIS A 145 1223 1220 1465 -182 47 125 C ATOM 1015 C HIS A 145 25.503 23.171 18.617 1.00 11.31 C ANISOU 1015 C HIS A 145 1332 1376 1591 -228 54 127 C ATOM 1016 O HIS A 145 25.722 24.381 18.728 1.00 12.99 O ANISOU 1016 O HIS A 145 1565 1556 1813 -266 61 136 O ATOM 1017 CB HIS A 145 23.752 22.261 20.177 1.00 9.48 C ANISOU 1017 CB HIS A 145 1125 1106 1371 -169 33 97 C ATOM 1018 CG HIS A 145 22.297 21.965 20.354 1.00 9.83 C ANISOU 1018 CG HIS A 145 1192 1124 1421 -131 29 96 C ATOM 1019 ND1 HIS A 145 21.833 21.391 21.519 1.00 10.94 N ANISOU 1019 ND1 HIS A 145 1335 1261 1563 -116 18 75 N ATOM 1020 CD2 HIS A 145 21.245 22.142 19.515 1.00 10.81 C ANISOU 1020 CD2 HIS A 145 1331 1230 1545 -109 33 115 C ATOM 1021 CE1 HIS A 145 20.520 21.245 21.378 1.00 11.08 C ANISOU 1021 CE1 HIS A 145 1367 1258 1583 -87 19 79 C ATOM 1022 NE2 HIS A 145 20.109 21.685 20.185 1.00 10.42 N ANISOU 1022 NE2 HIS A 145 1292 1167 1501 -80 26 102 N ATOM 0 H HIS A 145 23.704 20.783 18.220 1.00 9.70 H new ATOM 0 HA HIS A 145 23.491 23.376 18.482 1.00 10.29 H new ATOM 0 HB2 HIS A 145 24.273 21.482 20.428 1.00 9.48 H new ATOM 0 HB3 HIS A 145 24.010 22.980 20.775 1.00 9.48 H new ATOM 0 HD2 HIS A 145 21.275 22.500 18.657 1.00 10.81 H new ATOM 0 HE1 HIS A 145 19.959 20.883 22.026 1.00 11.08 H new ATOM 0 HE2 HIS A 145 19.302 21.686 19.888 1.00 10.42 H new ATOM 1023 N GLN A 146 26.436 22.281 18.356 1.00 11.29 N ANISOU 1023 N GLN A 146 1288 1428 1574 -226 54 117 N ATOM 1024 CA GLN A 146 27.846 22.693 18.171 1.00 13.03 C ANISOU 1024 CA GLN A 146 1478 1686 1787 -271 62 117 C ATOM 1025 C GLN A 146 27.980 23.599 16.951 1.00 15.52 C ANISOU 1025 C GLN A 146 1805 1998 2095 -303 82 149 C ATOM 1026 O GLN A 146 28.909 24.429 16.887 1.00 15.69 O ANISOU 1026 O GLN A 146 1817 2028 2115 -355 91 156 O ATOM 1027 CB GLN A 146 28.748 21.472 18.024 1.00 15.36 C ANISOU 1027 CB GLN A 146 1722 2046 2069 -251 59 100 C ATOM 1028 CG GLN A 146 29.072 20.794 19.345 1.00 24.86 C ANISOU 1028 CG GLN A 146 2908 3259 3278 -235 39 74 C ATOM 1029 CD GLN A 146 29.897 19.552 19.137 1.00 43.78 C ANISOU 1029 CD GLN A 146 5256 5712 5664 -206 34 60 C ATOM 1030 OE1 GLN A 146 31.036 19.604 18.655 1.00 41.46 O ANISOU 1030 OE1 GLN A 146 4922 5469 5362 -226 44 57 O ATOM 1031 NE2 GLN A 146 29.342 18.401 19.498 1.00 32.98 N ANISOU 1031 NE2 GLN A 146 3892 4337 4300 -157 21 50 N ATOM 0 H GLN A 146 26.294 21.436 18.279 1.00 11.29 H new ATOM 0 HA GLN A 146 28.125 23.188 18.958 1.00 13.03 H new ATOM 0 HB2 GLN A 146 28.319 20.831 17.436 1.00 15.36 H new ATOM 0 HB3 GLN A 146 29.576 21.740 17.595 1.00 15.36 H new ATOM 0 HG2 GLN A 146 29.553 21.412 19.918 1.00 24.86 H new ATOM 0 HG3 GLN A 146 28.248 20.564 19.803 1.00 24.86 H new ATOM 0 HE21 GLN A 146 28.549 18.392 19.831 1.00 32.98 H new ATOM 0 HE22 GLN A 146 29.776 17.665 19.399 1.00 32.98 H new ATOM 1032 N HIS A 147 27.107 23.424 15.960 1.00 12.44 N ANISOU 1032 N HIS A 147 1431 1600 1696 -276 87 170 N ATOM 1033 CA HIS A 147 27.040 24.204 14.736 1.00 13.54 C ANISOU 1033 CA HIS A 147 1586 1736 1823 -299 103 208 C ATOM 1034 C HIS A 147 26.009 25.337 14.794 1.00 14.33 C ANISOU 1034 C HIS A 147 1740 1764 1942 -301 100 234 C ATOM 1035 O HIS A 147 25.683 25.955 13.769 1.00 15.12 O ANISOU 1035 O HIS A 147 1860 1853 2032 -310 109 272 O ATOM 1036 CB HIS A 147 26.824 23.299 13.535 1.00 14.47 C ANISOU 1036 CB HIS A 147 1684 1900 1913 -270 109 215 C ATOM 1037 CG HIS A 147 28.013 22.438 13.267 1.00 17.16 C ANISOU 1037 CG HIS A 147 1972 2311 2236 -274 118 193 C ATOM 1038 ND1 HIS A 147 28.097 21.131 13.726 1.00 20.26 N ANISOU 1038 ND1 HIS A 147 2337 2728 2631 -233 107 158 N ATOM 1039 CD2 HIS A 147 29.173 22.760 12.650 1.00 20.76 C ANISOU 1039 CD2 HIS A 147 2398 2816 2675 -316 136 200 C ATOM 1040 CE1 HIS A 147 29.301 20.704 13.362 1.00 21.19 C ANISOU 1040 CE1 HIS A 147 2409 2907 2734 -245 118 144 C ATOM 1041 NE2 HIS A 147 29.969 21.640 12.698 1.00 22.01 N ANISOU 1041 NE2 HIS A 147 2507 3033 2825 -295 137 168 N ATOM 0 H HIS A 147 26.505 22.810 15.990 1.00 12.44 H new ATOM 0 HA HIS A 147 27.899 24.644 14.636 1.00 13.54 H new ATOM 0 HB2 HIS A 147 26.047 22.739 13.688 1.00 14.47 H new ATOM 0 HB3 HIS A 147 26.634 23.840 12.753 1.00 14.47 H new ATOM 0 HD1 HIS A 147 27.496 20.690 14.156 1.00 20.26 H new ATOM 0 HD2 HIS A 147 29.390 23.580 12.268 1.00 20.76 H new ATOM 0 HE1 HIS A 147 29.634 19.856 13.549 1.00 21.19 H new ATOM 1042 N LYS A 148 25.537 25.649 16.018 1.00 13.18 N ANISOU 1042 N LYS A 148 1617 1571 1822 -294 89 213 N ATOM 1043 CA LYS A 148 24.637 26.772 16.304 1.00 13.78 C ANISOU 1043 CA LYS A 148 1742 1573 1921 -293 87 228 C ATOM 1044 C LYS A 148 23.263 26.588 15.676 1.00 13.92 C ANISOU 1044 C LYS A 148 1780 1574 1937 -243 81 249 C ATOM 1045 O LYS A 148 22.588 27.551 15.330 1.00 14.43 O ANISOU 1045 O LYS A 148 1880 1588 2014 -240 82 277 O ATOM 1046 CB LYS A 148 25.275 28.135 15.925 1.00 17.00 C ANISOU 1046 CB LYS A 148 2174 1948 2336 -349 99 257 C ATOM 1047 CG LYS A 148 26.385 28.612 16.851 1.00 22.12 C ANISOU 1047 CG LYS A 148 2814 2595 2996 -403 102 231 C ATOM 1048 CD LYS A 148 27.499 27.605 17.072 1.00 33.63 C ANISOU 1048 CD LYS A 148 4214 4130 4434 -413 100 204 C ATOM 1049 CE LYS A 148 28.857 28.168 17.325 1.00 39.27 C ANISOU 1049 CE LYS A 148 4907 4866 5146 -480 108 197 C ATOM 1050 NZ LYS A 148 29.788 27.076 17.721 1.00 34.28 N ANISOU 1050 NZ LYS A 148 4217 4311 4499 -475 102 166 N ATOM 0 H LYS A 148 25.742 25.196 16.720 1.00 13.18 H new ATOM 0 HA LYS A 148 24.500 26.781 17.264 1.00 13.78 H new ATOM 0 HB2 LYS A 148 25.630 28.070 15.025 1.00 17.00 H new ATOM 0 HB3 LYS A 148 24.577 28.808 15.907 1.00 17.00 H new ATOM 0 HG2 LYS A 148 26.768 29.425 16.486 1.00 22.12 H new ATOM 0 HG3 LYS A 148 25.997 28.842 17.710 1.00 22.12 H new ATOM 0 HD2 LYS A 148 27.257 27.043 17.825 1.00 33.63 H new ATOM 0 HD3 LYS A 148 27.548 27.029 16.293 1.00 33.63 H new ATOM 0 HE2 LYS A 148 29.186 28.612 16.528 1.00 39.27 H new ATOM 0 HE3 LYS A 148 28.814 28.838 18.025 1.00 39.27 H new ATOM 0 HZ1 LYS A 148 30.101 27.234 18.539 1.00 34.28 H new ATOM 0 HZ2 LYS A 148 29.354 26.299 17.715 1.00 34.28 H new ATOM 0 HZ3 LYS A 148 30.467 27.041 17.146 1.00 34.28 H new ATOM 1051 N VAL A 149 22.845 25.339 15.542 1.00 11.29 N ANISOU 1051 N VAL A 149 1421 1280 1588 -205 75 233 N ATOM 1052 CA VAL A 149 21.535 25.041 14.991 1.00 10.77 C ANISOU 1052 CA VAL A 149 1367 1207 1518 -160 68 247 C ATOM 1053 C VAL A 149 20.580 24.635 16.103 1.00 12.16 C ANISOU 1053 C VAL A 149 1549 1359 1711 -126 56 217 C ATOM 1054 O VAL A 149 20.971 23.861 16.984 1.00 12.93 O ANISOU 1054 O VAL A 149 1628 1476 1809 -125 52 185 O ATOM 1055 CB VAL A 149 21.635 23.894 13.949 1.00 12.37 C ANISOU 1055 CB VAL A 149 1539 1472 1690 -145 69 249 C ATOM 1056 CG1 VAL A 149 20.254 23.477 13.443 1.00 12.21 C ANISOU 1056 CG1 VAL A 149 1526 1451 1662 -102 60 257 C ATOM 1057 CG2 VAL A 149 22.529 24.304 12.787 1.00 13.56 C ANISOU 1057 CG2 VAL A 149 1681 1655 1817 -179 84 278 C ATOM 0 H VAL A 149 23.306 24.648 15.765 1.00 11.29 H new ATOM 0 HA VAL A 149 21.198 25.838 14.553 1.00 10.77 H new ATOM 0 HB VAL A 149 22.032 23.127 14.391 1.00 12.37 H new ATOM 0 HG11 VAL A 149 20.349 22.761 12.795 1.00 12.21 H new ATOM 0 HG12 VAL A 149 19.715 23.169 14.189 1.00 12.21 H new ATOM 0 HG13 VAL A 149 19.820 24.236 13.023 1.00 12.21 H new ATOM 0 HG21 VAL A 149 22.581 23.578 12.146 1.00 13.56 H new ATOM 0 HG22 VAL A 149 22.159 25.090 12.355 1.00 13.56 H new ATOM 0 HG23 VAL A 149 23.418 24.506 13.118 1.00 13.56 H new ATOM 1058 N ILE A 150 19.328 25.090 16.035 1.00 10.60 N ANISOU 1058 N ILE A 150 1375 1126 1525 -96 51 230 N ATOM 1059 CA ILE A 150 18.250 24.639 16.939 1.00 10.42 C ANISOU 1059 CA ILE A 150 1355 1092 1514 -61 43 204 C ATOM 1060 C ILE A 150 17.275 23.886 16.026 1.00 10.53 C ANISOU 1060 C ILE A 150 1356 1136 1509 -26 36 216 C ATOM 1061 O ILE A 150 16.822 24.434 15.020 1.00 10.78 O ANISOU 1061 O ILE A 150 1397 1163 1535 -17 35 250 O ATOM 1062 CB ILE A 150 17.521 25.765 17.705 1.00 11.20 C ANISOU 1062 CB ILE A 150 1485 1130 1641 -50 43 200 C ATOM 1063 CG1 ILE A 150 18.502 26.800 18.312 1.00 12.67 C ANISOU 1063 CG1 ILE A 150 1691 1279 1844 -92 50 194 C ATOM 1064 CG2 ILE A 150 16.678 25.124 18.807 1.00 11.68 C ANISOU 1064 CG2 ILE A 150 1538 1194 1706 -23 38 165 C ATOM 1065 CD1 ILE A 150 17.759 28.023 18.955 1.00 15.50 C ANISOU 1065 CD1 ILE A 150 2087 1568 2233 -79 52 188 C ATOM 0 H ILE A 150 19.072 25.675 15.459 1.00 10.60 H new ATOM 0 HA ILE A 150 18.627 24.097 17.649 1.00 10.42 H new ATOM 0 HB ILE A 150 16.961 26.252 17.080 1.00 11.20 H new ATOM 0 HG12 ILE A 150 19.049 26.367 18.986 1.00 12.67 H new ATOM 0 HG13 ILE A 150 19.103 27.117 17.620 1.00 12.67 H new ATOM 0 HG21 ILE A 150 16.211 25.816 19.301 1.00 11.68 H new ATOM 0 HG22 ILE A 150 16.032 24.519 18.410 1.00 11.68 H new ATOM 0 HG23 ILE A 150 17.255 24.630 19.410 1.00 11.68 H new ATOM 0 HD11 ILE A 150 18.410 28.642 19.321 1.00 15.50 H new ATOM 0 HD12 ILE A 150 17.230 28.473 18.278 1.00 15.50 H new ATOM 0 HD13 ILE A 150 17.176 27.711 19.665 1.00 15.50 H new ATOM 1066 N HIS A 151 16.967 22.640 16.343 1.00 9.15 N ANISOU 1066 N HIS A 151 1159 992 1325 -10 31 191 N ATOM 1067 CA HIS A 151 16.057 21.842 15.496 1.00 9.66 C ANISOU 1067 CA HIS A 151 1211 1088 1372 16 24 196 C ATOM 1068 C HIS A 151 14.632 22.385 15.559 1.00 10.38 C ANISOU 1068 C HIS A 151 1313 1157 1474 47 18 206 C ATOM 1069 O HIS A 151 13.987 22.627 14.523 1.00 10.36 O ANISOU 1069 O HIS A 151 1311 1167 1460 63 13 233 O ATOM 1070 CB HIS A 151 16.117 20.352 15.906 1.00 9.32 C ANISOU 1070 CB HIS A 151 1145 1075 1319 21 21 165 C ATOM 1071 CG HIS A 151 15.275 19.473 15.037 1.00 9.86 C ANISOU 1071 CG HIS A 151 1201 1177 1369 40 15 164 C ATOM 1072 ND1 HIS A 151 13.904 19.437 15.189 1.00 10.24 N ANISOU 1072 ND1 HIS A 151 1250 1220 1421 63 8 163 N ATOM 1073 CD2 HIS A 151 15.632 18.603 14.057 1.00 11.17 C ANISOU 1073 CD2 HIS A 151 1351 1382 1512 37 16 161 C ATOM 1074 CE1 HIS A 151 13.457 18.556 14.286 1.00 10.58 C ANISOU 1074 CE1 HIS A 151 1277 1299 1442 70 3 160 C ATOM 1075 NE2 HIS A 151 14.465 18.028 13.594 1.00 10.82 N ANISOU 1075 NE2 HIS A 151 1299 1355 1456 55 7 157 N ATOM 0 H HIS A 151 17.265 22.229 17.037 1.00 9.15 H new ATOM 0 HA HIS A 151 16.349 21.913 14.574 1.00 9.66 H new ATOM 0 HB2 HIS A 151 17.038 20.048 15.869 1.00 9.32 H new ATOM 0 HB3 HIS A 151 15.825 20.263 16.827 1.00 9.32 H new ATOM 0 HD2 HIS A 151 16.495 18.428 13.756 1.00 11.17 H new ATOM 0 HE1 HIS A 151 12.561 18.341 14.159 1.00 10.58 H new ATOM 0 HE2 HIS A 151 14.401 17.437 12.972 1.00 10.82 H new ATOM 1076 N ARG A 152 14.123 22.584 16.792 1.00 9.38 N ANISOU 1076 N ARG A 152 1195 1003 1368 56 18 183 N ATOM 1077 CA ARG A 152 12.827 23.194 17.120 1.00 9.29 C ANISOU 1077 CA ARG A 152 1191 968 1372 88 15 184 C ATOM 1078 C ARG A 152 11.627 22.316 16.870 1.00 11.80 C ANISOU 1078 C ARG A 152 1486 1320 1677 114 7 176 C ATOM 1079 O ARG A 152 10.513 22.769 17.180 1.00 12.13 O ANISOU 1079 O ARG A 152 1527 1350 1730 142 5 174 O ATOM 1080 CB ARG A 152 12.618 24.566 16.470 1.00 10.80 C ANISOU 1080 CB ARG A 152 1405 1122 1576 100 14 219 C ATOM 1081 CG ARG A 152 13.786 25.509 16.753 1.00 10.75 C ANISOU 1081 CG ARG A 152 1424 1075 1585 67 23 225 C ATOM 1082 CD ARG A 152 13.401 26.980 16.673 1.00 13.40 C ANISOU 1082 CD ARG A 152 1793 1352 1947 82 24 248 C ATOM 1083 NE ARG A 152 13.161 27.376 15.296 1.00 12.20 N ANISOU 1083 NE ARG A 152 1646 1206 1783 93 18 297 N ATOM 1084 CZ ARG A 152 12.996 28.624 14.889 1.00 12.56 C ANISOU 1084 CZ ARG A 152 1723 1201 1847 103 16 333 C ATOM 1085 NH1 ARG A 152 13.083 29.633 15.758 1.00 14.68 N ANISOU 1085 NH1 ARG A 152 2022 1404 2151 101 23 319 N ATOM 1086 NH2 ARG A 152 12.804 28.881 13.614 1.00 13.94 N ANISOU 1086 NH2 ARG A 152 1902 1389 2006 112 8 382 N ATOM 0 H ARG A 152 14.556 22.350 17.497 1.00 9.38 H new ATOM 0 HA ARG A 152 12.886 23.315 18.081 1.00 9.29 H new ATOM 0 HB2 ARG A 152 12.514 24.458 15.512 1.00 10.80 H new ATOM 0 HB3 ARG A 152 11.796 24.960 16.802 1.00 10.80 H new ATOM 0 HG2 ARG A 152 14.140 25.321 17.636 1.00 10.75 H new ATOM 0 HG3 ARG A 152 14.498 25.332 16.119 1.00 10.75 H new ATOM 0 HD2 ARG A 152 12.605 27.140 17.203 1.00 13.40 H new ATOM 0 HD3 ARG A 152 14.108 27.525 17.052 1.00 13.40 H new ATOM 0 HE ARG A 152 13.123 26.754 14.703 1.00 12.20 H new ATOM 0 HH11 ARG A 152 13.247 29.474 16.587 1.00 14.68 H new ATOM 0 HH12 ARG A 152 12.975 30.443 15.489 1.00 14.68 H new ATOM 0 HH21 ARG A 152 12.786 28.238 13.044 1.00 13.94 H new ATOM 0 HH22 ARG A 152 12.697 29.693 13.350 1.00 13.94 H new ATOM 1087 N ASP A 153 11.805 21.050 16.465 1.00 9.43 N ANISOU 1087 N ASP A 153 1167 1062 1356 104 4 167 N ATOM 1088 CA ASP A 153 10.620 20.186 16.388 1.00 10.12 C ANISOU 1088 CA ASP A 153 1233 1179 1432 121 -3 154 C ATOM 1089 C ASP A 153 11.008 18.752 16.715 1.00 9.86 C ANISOU 1089 C ASP A 153 1189 1170 1389 103 -3 129 C ATOM 1090 O ASP A 153 10.685 17.784 15.999 1.00 10.59 O ANISOU 1090 O ASP A 153 1267 1294 1463 102 -8 124 O ATOM 1091 CB ASP A 153 9.910 20.315 15.044 1.00 12.65 C ANISOU 1091 CB ASP A 153 1543 1527 1736 138 -13 180 C ATOM 1092 CG ASP A 153 8.463 19.843 15.050 1.00 16.23 C ANISOU 1092 CG ASP A 153 1975 2009 2185 159 -21 170 C ATOM 1093 OD1 ASP A 153 7.885 19.644 16.157 1.00 14.03 O ANISOU 1093 OD1 ASP A 153 1690 1721 1918 164 -17 146 O ATOM 1094 OD2 ASP A 153 7.912 19.657 13.966 1.00 22.25 O ANISOU 1094 OD2 ASP A 153 2722 2806 2927 169 -32 185 O ATOM 0 H ASP A 153 12.554 20.690 16.243 1.00 9.43 H new ATOM 0 HA ASP A 153 9.975 20.478 17.051 1.00 10.12 H new ATOM 0 HB2 ASP A 153 9.935 21.244 14.765 1.00 12.65 H new ATOM 0 HB3 ASP A 153 10.402 19.807 14.380 1.00 12.65 H new ATOM 1095 N ILE A 154 11.689 18.569 17.848 1.00 9.38 N ANISOU 1095 N ILE A 154 1136 1090 1337 88 3 111 N ATOM 1096 CA ILE A 154 12.041 17.224 18.309 1.00 8.36 C ANISOU 1096 CA ILE A 154 999 975 1201 74 1 90 C ATOM 1097 C ILE A 154 10.819 16.567 18.942 1.00 9.59 C ANISOU 1097 C ILE A 154 1147 1140 1356 80 -1 75 C ATOM 1098 O ILE A 154 10.182 17.148 19.815 1.00 10.07 O ANISOU 1098 O ILE A 154 1211 1189 1427 87 4 69 O ATOM 1099 CB ILE A 154 13.189 17.316 19.326 1.00 9.16 C ANISOU 1099 CB ILE A 154 1111 1058 1311 58 4 81 C ATOM 1100 CG1 ILE A 154 14.486 17.851 18.662 1.00 10.42 C ANISOU 1100 CG1 ILE A 154 1272 1216 1469 46 7 95 C ATOM 1101 CG2 ILE A 154 13.433 15.982 20.043 1.00 10.77 C ANISOU 1101 CG2 ILE A 154 1311 1271 1510 50 0 64 C ATOM 1102 CD1 ILE A 154 15.089 16.894 17.553 1.00 12.33 C ANISOU 1102 CD1 ILE A 154 1500 1488 1695 44 6 95 C ATOM 0 H ILE A 154 11.955 19.206 18.361 1.00 9.38 H new ATOM 0 HA ILE A 154 12.331 16.684 17.557 1.00 8.36 H new ATOM 0 HB ILE A 154 12.919 17.954 20.005 1.00 9.16 H new ATOM 0 HG12 ILE A 154 14.300 18.715 18.263 1.00 10.42 H new ATOM 0 HG13 ILE A 154 15.155 17.994 19.350 1.00 10.42 H new ATOM 0 HG21 ILE A 154 14.163 16.082 20.674 1.00 10.77 H new ATOM 0 HG22 ILE A 154 12.629 15.718 20.518 1.00 10.77 H new ATOM 0 HG23 ILE A 154 13.661 15.301 19.391 1.00 10.77 H new ATOM 0 HD11 ILE A 154 15.893 17.292 17.185 1.00 12.33 H new ATOM 0 HD12 ILE A 154 15.305 16.035 17.949 1.00 12.33 H new ATOM 0 HD13 ILE A 154 14.438 16.768 16.845 1.00 12.33 H new ATOM 1103 N LYS A 155 10.504 15.355 18.484 1.00 8.10 N ANISOU 1103 N LYS A 155 948 974 1155 75 -5 66 N ATOM 1104 CA LYS A 155 9.358 14.568 18.933 1.00 8.14 C ANISOU 1104 CA LYS A 155 944 992 1157 72 -7 52 C ATOM 1105 C LYS A 155 9.536 13.195 18.325 1.00 8.55 C ANISOU 1105 C LYS A 155 993 1058 1198 59 -12 42 C ATOM 1106 O LYS A 155 10.296 13.053 17.350 1.00 7.90 O ANISOU 1106 O LYS A 155 911 983 1109 60 -14 45 O ATOM 1107 CB LYS A 155 7.997 15.200 18.535 1.00 9.42 C ANISOU 1107 CB LYS A 155 1089 1172 1316 89 -8 58 C ATOM 1108 CG LYS A 155 7.873 15.508 17.049 1.00 9.58 C ANISOU 1108 CG LYS A 155 1101 1214 1326 101 -16 74 C ATOM 1109 CD LYS A 155 6.498 16.057 16.747 1.00 10.39 C ANISOU 1109 CD LYS A 155 1184 1339 1426 122 -21 81 C ATOM 1110 CE LYS A 155 6.440 16.465 15.310 1.00 12.13 C ANISOU 1110 CE LYS A 155 1397 1580 1631 135 -31 103 C ATOM 1111 NZ LYS A 155 5.074 17.011 14.980 1.00 13.96 N ANISOU 1111 NZ LYS A 155 1605 1838 1860 161 -40 113 N ATOM 0 H LYS A 155 10.970 14.955 17.881 1.00 8.10 H new ATOM 0 HA LYS A 155 9.332 14.530 19.902 1.00 8.14 H new ATOM 0 HB2 LYS A 155 7.282 14.597 18.792 1.00 9.42 H new ATOM 0 HB3 LYS A 155 7.871 16.020 19.038 1.00 9.42 H new ATOM 0 HG2 LYS A 155 8.551 16.151 16.787 1.00 9.58 H new ATOM 0 HG3 LYS A 155 8.029 14.703 16.530 1.00 9.58 H new ATOM 0 HD2 LYS A 155 5.822 15.387 16.932 1.00 10.39 H new ATOM 0 HD3 LYS A 155 6.308 16.817 17.319 1.00 10.39 H new ATOM 0 HE2 LYS A 155 7.116 17.136 15.130 1.00 12.13 H new ATOM 0 HE3 LYS A 155 6.637 15.704 14.742 1.00 12.13 H new ATOM 0 HZ1 LYS A 155 5.016 17.156 14.104 1.00 13.96 H new ATOM 0 HZ2 LYS A 155 4.452 16.423 15.225 1.00 13.96 H new ATOM 0 HZ3 LYS A 155 4.947 17.776 15.416 1.00 13.96 H new ATOM 1112 N GLY A 156 8.782 12.213 18.820 1.00 8.71 N ANISOU 1112 N GLY A 156 1010 1084 1216 46 -13 28 N ATOM 1113 CA GLY A 156 8.924 10.856 18.305 1.00 9.31 C ANISOU 1113 CA GLY A 156 1089 1163 1286 32 -17 15 C ATOM 1114 C GLY A 156 8.736 10.727 16.800 1.00 8.96 C ANISOU 1114 C GLY A 156 1032 1145 1227 36 -22 12 C ATOM 1115 O GLY A 156 9.373 9.877 16.167 1.00 9.41 O ANISOU 1115 O GLY A 156 1095 1202 1280 31 -23 -1 O ATOM 0 H GLY A 156 8.195 12.310 19.441 1.00 8.71 H new ATOM 0 HA2 GLY A 156 9.805 10.524 18.539 1.00 9.31 H new ATOM 0 HA3 GLY A 156 8.279 10.285 18.750 1.00 9.31 H new ATOM 1116 N GLN A 157 7.878 11.559 16.207 1.00 8.52 N ANISOU 1116 N GLN A 157 959 1115 1162 47 -25 22 N ATOM 1117 CA GLN A 157 7.612 11.462 14.786 1.00 9.18 C ANISOU 1117 CA GLN A 157 1030 1232 1226 49 -31 21 C ATOM 1118 C GLN A 157 8.823 11.854 13.954 1.00 8.91 C ANISOU 1118 C GLN A 157 1004 1197 1185 57 -29 31 C ATOM 1119 O GLN A 157 8.950 11.430 12.801 1.00 9.67 O ANISOU 1119 O GLN A 157 1094 1320 1261 53 -32 24 O ATOM 1120 CB GLN A 157 6.459 12.432 14.467 1.00 12.72 C ANISOU 1120 CB GLN A 157 1458 1707 1667 65 -37 37 C ATOM 1121 CG GLN A 157 5.829 12.306 13.126 1.00 23.85 C ANISOU 1121 CG GLN A 157 2848 3161 3051 66 -49 38 C ATOM 1122 CD GLN A 157 4.640 13.219 13.093 1.00 34.84 C ANISOU 1122 CD GLN A 157 4218 4577 4442 87 -56 55 C ATOM 1123 OE1 GLN A 157 4.719 14.364 12.647 1.00 39.33 O ANISOU 1123 OE1 GLN A 157 4787 5148 5010 113 -60 84 O ATOM 1124 NE2 GLN A 157 3.532 12.733 13.615 1.00 25.45 N ANISOU 1124 NE2 GLN A 157 3009 3406 3255 78 -58 39 N ATOM 0 H GLN A 157 7.445 12.181 16.613 1.00 8.52 H new ATOM 0 HA GLN A 157 7.389 10.543 14.568 1.00 9.18 H new ATOM 0 HB2 GLN A 157 5.769 12.312 15.138 1.00 12.72 H new ATOM 0 HB3 GLN A 157 6.792 13.338 14.561 1.00 12.72 H new ATOM 0 HG2 GLN A 157 6.461 12.545 12.430 1.00 23.85 H new ATOM 0 HG3 GLN A 157 5.559 11.389 12.962 1.00 23.85 H new ATOM 0 HE21 GLN A 157 3.516 11.928 13.916 1.00 25.45 H new ATOM 0 HE22 GLN A 157 2.825 13.221 13.654 1.00 25.45 H new ATOM 1125 N ASN A 158 9.744 12.645 14.495 1.00 7.65 N ANISOU 1125 N ASN A 158 857 1013 1039 65 -23 46 N ATOM 1126 CA ASN A 158 10.916 13.128 13.763 1.00 8.09 C ANISOU 1126 CA ASN A 158 916 1071 1088 68 -19 58 C ATOM 1127 C ASN A 158 12.173 12.392 14.128 1.00 8.84 C ANISOU 1127 C ASN A 158 1018 1150 1190 61 -13 43 C ATOM 1128 O ASN A 158 13.273 12.816 13.745 1.00 9.03 O ANISOU 1128 O ASN A 158 1043 1177 1211 61 -7 51 O ATOM 1129 CB ASN A 158 11.078 14.628 13.895 1.00 9.11 C ANISOU 1129 CB ASN A 158 1050 1186 1224 78 -16 88 C ATOM 1130 CG ASN A 158 10.027 15.377 13.133 1.00 9.51 C ANISOU 1130 CG ASN A 158 1092 1258 1263 92 -24 109 C ATOM 1131 OD1 ASN A 158 9.449 14.868 12.156 1.00 11.71 O ANISOU 1131 OD1 ASN A 158 1357 1573 1518 91 -31 105 O ATOM 1132 ND2 ASN A 158 9.741 16.578 13.589 1.00 9.82 N ANISOU 1132 ND2 ASN A 158 1139 1275 1318 106 -23 130 N ATOM 0 H ASN A 158 9.707 12.921 15.309 1.00 7.65 H new ATOM 0 HA ASN A 158 10.754 12.936 12.826 1.00 8.09 H new ATOM 0 HB2 ASN A 158 11.035 14.876 14.832 1.00 9.11 H new ATOM 0 HB3 ASN A 158 11.956 14.887 13.573 1.00 9.11 H new ATOM 0 HD21 ASN A 158 9.130 17.048 13.208 1.00 9.82 H new ATOM 0 HD22 ASN A 158 10.165 16.892 14.268 1.00 9.82 H new ATOM 1133 N VAL A 159 12.017 11.266 14.850 1.00 8.03 N ANISOU 1133 N VAL A 159 922 1032 1098 55 -15 22 N ATOM 1134 CA VAL A 159 13.138 10.389 15.186 1.00 7.77 C ANISOU 1134 CA VAL A 159 895 983 1074 54 -13 7 C ATOM 1135 C VAL A 159 12.871 9.070 14.504 1.00 9.09 C ANISOU 1135 C VAL A 159 1063 1157 1234 50 -15 -20 C ATOM 1136 O VAL A 159 11.883 8.399 14.832 1.00 9.41 O ANISOU 1136 O VAL A 159 1107 1190 1276 39 -20 -30 O ATOM 1137 CB VAL A 159 13.306 10.217 16.716 1.00 8.45 C ANISOU 1137 CB VAL A 159 994 1038 1180 52 -15 9 C ATOM 1138 CG1 VAL A 159 14.544 9.366 17.002 1.00 9.61 C ANISOU 1138 CG1 VAL A 159 1145 1171 1337 58 -16 -1 C ATOM 1139 CG2 VAL A 159 13.446 11.576 17.385 1.00 9.25 C ANISOU 1139 CG2 VAL A 159 1095 1132 1286 53 -12 29 C ATOM 0 H VAL A 159 11.259 10.997 15.154 1.00 8.03 H new ATOM 0 HA VAL A 159 13.974 10.775 14.880 1.00 7.77 H new ATOM 0 HB VAL A 159 12.521 9.774 17.073 1.00 8.45 H new ATOM 0 HG11 VAL A 159 14.649 9.259 17.960 1.00 9.61 H new ATOM 0 HG12 VAL A 159 14.440 8.495 16.589 1.00 9.61 H new ATOM 0 HG13 VAL A 159 15.329 9.804 16.638 1.00 9.61 H new ATOM 0 HG21 VAL A 159 13.551 11.457 18.342 1.00 9.25 H new ATOM 0 HG22 VAL A 159 14.224 12.033 17.030 1.00 9.25 H new ATOM 0 HG23 VAL A 159 12.653 12.106 17.211 1.00 9.25 H new ATOM 1140 N LEU A 160 13.689 8.732 13.522 1.00 8.36 N ANISOU 1140 N LEU A 160 964 1082 1130 56 -10 -34 N ATOM 1141 CA LEU A 160 13.461 7.550 12.709 1.00 8.83 C ANISOU 1141 CA LEU A 160 1025 1149 1180 52 -11 -66 C ATOM 1142 C LEU A 160 14.492 6.485 12.940 1.00 9.80 C ANISOU 1142 C LEU A 160 1155 1247 1319 64 -8 -88 C ATOM 1143 O LEU A 160 15.577 6.745 13.434 1.00 10.34 O ANISOU 1143 O LEU A 160 1221 1307 1399 77 -5 -79 O ATOM 1144 CB LEU A 160 13.392 7.944 11.208 1.00 9.30 C ANISOU 1144 CB LEU A 160 1069 1257 1208 51 -7 -69 C ATOM 1145 CG LEU A 160 12.510 9.128 10.824 1.00 9.40 C ANISOU 1145 CG LEU A 160 1073 1297 1203 47 -12 -40 C ATOM 1146 CD1 LEU A 160 12.447 9.263 9.321 1.00 10.57 C ANISOU 1146 CD1 LEU A 160 1207 1493 1314 44 -10 -44 C ATOM 1147 CD2 LEU A 160 11.102 9.033 11.372 1.00 11.06 C ANISOU 1147 CD2 LEU A 160 1283 1500 1419 39 -22 -37 C ATOM 0 H LEU A 160 14.391 9.180 13.307 1.00 8.36 H new ATOM 0 HA LEU A 160 12.610 7.170 12.978 1.00 8.83 H new ATOM 0 HB2 LEU A 160 14.294 8.135 10.908 1.00 9.30 H new ATOM 0 HB3 LEU A 160 13.085 7.170 10.710 1.00 9.30 H new ATOM 0 HG LEU A 160 12.921 9.911 11.222 1.00 9.40 H new ATOM 0 HD11 LEU A 160 11.884 10.018 9.087 1.00 10.57 H new ATOM 0 HD12 LEU A 160 13.340 9.405 8.971 1.00 10.57 H new ATOM 0 HD13 LEU A 160 12.076 8.453 8.938 1.00 10.57 H new ATOM 0 HD21 LEU A 160 10.593 9.811 11.095 1.00 11.06 H new ATOM 0 HD22 LEU A 160 10.676 8.231 11.032 1.00 11.06 H new ATOM 0 HD23 LEU A 160 11.133 8.996 12.341 1.00 11.06 H new ATOM 1148 N LEU A 161 14.149 5.273 12.505 1.00 11.45 N ANISOU 1148 N LEU A 161 1374 1448 1528 59 -9 -121 N ATOM 1149 CA LEU A 161 15.061 4.146 12.609 1.00 12.27 C ANISOU 1149 CA LEU A 161 1488 1523 1650 75 -7 -146 C ATOM 1150 C LEU A 161 15.322 3.574 11.242 1.00 12.55 C ANISOU 1150 C LEU A 161 1517 1584 1668 80 1 -185 C ATOM 1151 O LEU A 161 14.412 3.459 10.428 1.00 12.63 O ANISOU 1151 O LEU A 161 1525 1618 1655 61 0 -200 O ATOM 1152 CB LEU A 161 14.478 3.030 13.487 1.00 14.64 C ANISOU 1152 CB LEU A 161 1815 1773 1974 66 -16 -154 C ATOM 1153 CG LEU A 161 14.297 3.339 14.963 1.00 22.34 C ANISOU 1153 CG LEU A 161 2801 2722 2966 61 -24 -120 C ATOM 1154 CD1 LEU A 161 13.103 2.551 15.538 1.00 24.91 C ANISOU 1154 CD1 LEU A 161 3147 3019 3299 34 -30 -122 C ATOM 1155 CD2 LEU A 161 15.532 2.981 15.723 1.00 27.09 C ANISOU 1155 CD2 LEU A 161 3409 3296 3589 87 -27 -113 C ATOM 0 H LEU A 161 13.390 5.086 12.146 1.00 11.45 H new ATOM 0 HA LEU A 161 15.881 4.472 13.011 1.00 12.27 H new ATOM 0 HB2 LEU A 161 13.614 2.780 13.123 1.00 14.64 H new ATOM 0 HB3 LEU A 161 15.054 2.253 13.410 1.00 14.64 H new ATOM 0 HG LEU A 161 14.126 4.290 15.053 1.00 22.34 H new ATOM 0 HD11 LEU A 161 13.001 2.759 16.480 1.00 24.91 H new ATOM 0 HD12 LEU A 161 12.294 2.797 15.063 1.00 24.91 H new ATOM 0 HD13 LEU A 161 13.262 1.600 15.433 1.00 24.91 H new ATOM 0 HD21 LEU A 161 15.404 3.183 16.663 1.00 27.09 H new ATOM 0 HD22 LEU A 161 15.714 2.034 15.618 1.00 27.09 H new ATOM 0 HD23 LEU A 161 16.282 3.493 15.382 1.00 27.09 H new ATOM 1156 N THR A 162 16.549 3.124 11.013 1.00 13.07 N ANISOU 1156 N THR A 162 1577 1646 1741 105 9 -205 N ATOM 1157 CA THR A 162 16.886 2.408 9.799 1.00 13.27 C ANISOU 1157 CA THR A 162 1598 1693 1752 113 19 -250 C ATOM 1158 C THR A 162 16.604 0.932 10.057 1.00 18.04 C ANISOU 1158 C THR A 162 2231 2243 2382 116 14 -285 C ATOM 1159 O THR A 162 16.373 0.498 11.201 1.00 16.05 O ANISOU 1159 O THR A 162 1999 1939 2159 115 3 -267 O ATOM 1160 CB THR A 162 18.345 2.598 9.414 1.00 15.19 C ANISOU 1160 CB THR A 162 1819 1962 1993 141 33 -259 C ATOM 1161 OG1 THR A 162 19.190 1.982 10.376 1.00 15.76 O ANISOU 1161 OG1 THR A 162 1897 1990 2100 169 28 -260 O ATOM 1162 CG2 THR A 162 18.716 4.081 9.232 1.00 19.30 C ANISOU 1162 CG2 THR A 162 2315 2529 2490 132 39 -221 C ATOM 0 H THR A 162 17.206 3.226 11.558 1.00 13.07 H new ATOM 0 HA THR A 162 16.356 2.749 9.062 1.00 13.27 H new ATOM 0 HB THR A 162 18.476 2.169 8.554 1.00 15.19 H new ATOM 0 HG1 THR A 162 19.945 1.840 10.036 1.00 15.76 H new ATOM 0 HG21 THR A 162 19.652 4.153 8.988 1.00 19.30 H new ATOM 0 HG22 THR A 162 18.169 4.468 8.531 1.00 19.30 H new ATOM 0 HG23 THR A 162 18.561 4.558 10.062 1.00 19.30 H new ATOM 1163 N GLU A 163 16.701 0.138 8.994 1.00 18.09 N ANISOU 1163 N GLU A 163 2238 2259 2376 120 23 -334 N ATOM 1164 CA GLU A 163 16.518 -1.320 9.122 1.00 18.80 C ANISOU 1164 CA GLU A 163 2359 2291 2494 123 20 -374 C ATOM 1165 C GLU A 163 17.561 -1.949 10.058 1.00 22.23 C ANISOU 1165 C GLU A 163 2807 2671 2971 162 16 -369 C ATOM 1166 O GLU A 163 17.276 -2.981 10.662 1.00 24.33 O ANISOU 1166 O GLU A 163 3106 2872 3268 162 7 -377 O ATOM 1167 CB GLU A 163 16.526 -2.022 7.761 1.00 20.98 C ANISOU 1167 CB GLU A 163 2634 2589 2748 122 32 -436 C ATOM 1168 CG GLU A 163 15.505 -1.504 6.752 1.00 30.24 C ANISOU 1168 CG GLU A 163 3793 3822 3874 84 32 -443 C ATOM 1169 CD GLU A 163 14.050 -1.923 6.864 1.00 53.50 C ANISOU 1169 CD GLU A 163 6758 6751 6818 41 19 -448 C ATOM 1170 OE1 GLU A 163 13.676 -2.571 7.868 1.00 45.45 O ANISOU 1170 OE1 GLU A 163 5766 5669 5835 33 10 -439 O ATOM 1171 OE2 GLU A 163 13.278 -1.598 5.933 1.00 47.44 O ANISOU 1171 OE2 GLU A 163 5975 6039 6010 14 18 -460 O ATOM 0 H GLU A 163 16.870 0.412 8.197 1.00 18.09 H new ATOM 0 HA GLU A 163 15.642 -1.451 9.519 1.00 18.80 H new ATOM 0 HB2 GLU A 163 17.412 -1.936 7.375 1.00 20.98 H new ATOM 0 HB3 GLU A 163 16.368 -2.969 7.901 1.00 20.98 H new ATOM 0 HG2 GLU A 163 15.530 -0.535 6.787 1.00 30.24 H new ATOM 0 HG3 GLU A 163 15.813 -1.764 5.870 1.00 30.24 H new ATOM 1172 N ASN A 164 18.738 -1.308 10.213 1.00 18.48 N ANISOU 1172 N ASN A 164 2304 2222 2495 193 22 -352 N ATOM 1173 CA ASN A 164 19.811 -1.735 11.119 1.00 18.52 C ANISOU 1173 CA ASN A 164 2311 2189 2536 233 16 -341 C ATOM 1174 C ASN A 164 19.724 -1.098 12.524 1.00 17.16 C ANISOU 1174 C ASN A 164 2143 2000 2378 226 0 -283 C ATOM 1175 O ASN A 164 20.677 -1.178 13.299 1.00 17.98 O ANISOU 1175 O ASN A 164 2240 2089 2502 257 -7 -267 O ATOM 1176 CB ASN A 164 21.169 -1.474 10.486 1.00 23.48 C ANISOU 1176 CB ASN A 164 2902 2863 3156 269 31 -361 C ATOM 1177 CG ASN A 164 21.447 -2.363 9.297 1.00 58.31 C ANISOU 1177 CG ASN A 164 7312 7280 7561 288 47 -426 C ATOM 1178 OD1 ASN A 164 21.239 -3.586 9.328 1.00 56.89 O ANISOU 1178 OD1 ASN A 164 7164 7042 7408 301 43 -459 O ATOM 1179 ND2 ASN A 164 21.932 -1.767 8.220 1.00 52.69 N ANISOU 1179 ND2 ASN A 164 6566 6640 6814 287 67 -445 N ATOM 0 H ASN A 164 18.933 -0.592 9.778 1.00 18.48 H new ATOM 0 HA ASN A 164 19.696 -2.689 11.254 1.00 18.52 H new ATOM 0 HB2 ASN A 164 21.218 -0.546 10.208 1.00 23.48 H new ATOM 0 HB3 ASN A 164 21.862 -1.607 11.152 1.00 23.48 H new ATOM 0 HD21 ASN A 164 22.112 -2.229 7.517 1.00 52.69 H new ATOM 0 HD22 ASN A 164 22.068 -0.918 8.223 1.00 52.69 H new ATOM 1180 N ALA A 165 18.561 -0.501 12.857 1.00 15.51 N ANISOU 1180 N ALA A 165 1943 1795 2154 185 -6 -256 N ATOM 1181 CA ALA A 165 18.278 0.105 14.157 1.00 15.57 C ANISOU 1181 CA ALA A 165 1957 1790 2170 173 -18 -207 C ATOM 1182 C ALA A 165 19.183 1.290 14.498 1.00 16.46 C ANISOU 1182 C ALA A 165 2038 1941 2274 184 -17 -179 C ATOM 1183 O ALA A 165 19.455 1.549 15.670 1.00 16.44 O ANISOU 1183 O ALA A 165 2040 1923 2284 187 -28 -147 O ATOM 1184 CB ALA A 165 18.284 -0.955 15.263 1.00 17.05 C ANISOU 1184 CB ALA A 165 2177 1911 2390 183 -33 -196 C ATOM 0 H ALA A 165 17.901 -0.441 12.309 1.00 15.51 H new ATOM 0 HA ALA A 165 17.386 0.480 14.094 1.00 15.57 H new ATOM 0 HB1 ALA A 165 18.095 -0.534 16.116 1.00 17.05 H new ATOM 0 HB2 ALA A 165 17.606 -1.623 15.075 1.00 17.05 H new ATOM 0 HB3 ALA A 165 19.155 -1.380 15.299 1.00 17.05 H new ATOM 1185 N GLU A 166 19.664 2.016 13.445 1.00 13.41 N ANISOU 1185 N GLU A 166 1623 1609 1864 186 -2 -191 N ATOM 1186 CA GLU A 166 20.358 3.278 13.668 1.00 12.51 C ANISOU 1186 CA GLU A 166 1482 1532 1739 184 1 -163 C ATOM 1187 C GLU A 166 19.264 4.335 13.804 1.00 13.20 C ANISOU 1187 C GLU A 166 1575 1632 1809 150 0 -134 C ATOM 1188 O GLU A 166 18.221 4.257 13.152 1.00 15.58 O ANISOU 1188 O GLU A 166 1885 1940 2096 131 2 -144 O ATOM 1189 CB GLU A 166 21.242 3.642 12.492 1.00 14.70 C ANISOU 1189 CB GLU A 166 1728 1862 1995 193 19 -183 C ATOM 1190 CG GLU A 166 22.396 2.691 12.274 1.00 21.82 C ANISOU 1190 CG GLU A 166 2617 2762 2913 233 24 -216 C ATOM 1191 CD GLU A 166 23.430 3.195 11.285 1.00 44.43 C ANISOU 1191 CD GLU A 166 5441 5687 5754 240 44 -231 C ATOM 1192 OE1 GLU A 166 23.844 2.399 10.413 1.00 44.21 O ANISOU 1192 OE1 GLU A 166 5404 5672 5721 262 57 -275 O ATOM 1193 OE2 GLU A 166 23.845 4.371 11.392 1.00 33.33 O ANISOU 1193 OE2 GLU A 166 4014 4317 4335 223 48 -202 O ATOM 0 H GLU A 166 19.591 1.784 12.620 1.00 13.41 H new ATOM 0 HA GLU A 166 20.926 3.216 14.452 1.00 12.51 H new ATOM 0 HB2 GLU A 166 20.700 3.668 11.688 1.00 14.70 H new ATOM 0 HB3 GLU A 166 21.593 4.536 12.627 1.00 14.70 H new ATOM 0 HG2 GLU A 166 22.830 2.523 13.125 1.00 21.82 H new ATOM 0 HG3 GLU A 166 22.049 1.841 11.960 1.00 21.82 H new ATOM 1194 N VAL A 167 19.512 5.326 14.630 1.00 10.50 N ANISOU 1194 N VAL A 167 1226 1294 1469 142 -4 -102 N ATOM 1195 CA VAL A 167 18.556 6.385 14.973 1.00 10.01 C ANISOU 1195 CA VAL A 167 1169 1236 1397 117 -7 -75 C ATOM 1196 C VAL A 167 18.941 7.654 14.261 1.00 10.49 C ANISOU 1196 C VAL A 167 1210 1337 1438 108 4 -61 C ATOM 1197 O VAL A 167 20.095 8.100 14.363 1.00 11.12 O ANISOU 1197 O VAL A 167 1273 1434 1520 113 9 -55 O ATOM 1198 CB VAL A 167 18.576 6.546 16.501 1.00 12.07 C ANISOU 1198 CB VAL A 167 1442 1469 1675 114 -18 -52 C ATOM 1199 CG1 VAL A 167 17.680 7.701 16.933 1.00 11.92 C ANISOU 1199 CG1 VAL A 167 1427 1454 1648 92 -18 -28 C ATOM 1200 CG2 VAL A 167 18.141 5.267 17.202 1.00 12.71 C ANISOU 1200 CG2 VAL A 167 1547 1510 1773 119 -29 -58 C ATOM 0 H VAL A 167 20.269 5.415 15.029 1.00 10.50 H new ATOM 0 HA VAL A 167 17.655 6.163 14.691 1.00 10.01 H new ATOM 0 HB VAL A 167 19.491 6.739 16.759 1.00 12.07 H new ATOM 0 HG11 VAL A 167 17.706 7.787 17.899 1.00 11.92 H new ATOM 0 HG12 VAL A 167 17.994 8.524 16.527 1.00 11.92 H new ATOM 0 HG13 VAL A 167 16.769 7.528 16.648 1.00 11.92 H new ATOM 0 HG21 VAL A 167 18.164 5.400 18.163 1.00 12.71 H new ATOM 0 HG22 VAL A 167 17.238 5.039 16.929 1.00 12.71 H new ATOM 0 HG23 VAL A 167 18.743 4.545 16.962 1.00 12.71 H new ATOM 1201 N LYS A 168 17.954 8.268 13.570 1.00 10.45 N ANISOU 1201 N LYS A 168 1207 1348 1414 92 7 -52 N ATOM 1202 CA LYS A 168 18.235 9.414 12.713 1.00 10.68 C ANISOU 1202 CA LYS A 168 1223 1414 1423 83 17 -36 C ATOM 1203 C LYS A 168 17.178 10.501 12.873 1.00 10.09 C ANISOU 1203 C LYS A 168 1156 1335 1343 69 13 -7 C ATOM 1204 O LYS A 168 15.955 10.223 12.800 1.00 11.32 O ANISOU 1204 O LYS A 168 1320 1486 1494 66 6 -10 O ATOM 1205 CB LYS A 168 18.115 8.973 11.225 1.00 14.35 C ANISOU 1205 CB LYS A 168 1678 1915 1860 83 25 -57 C ATOM 1206 CG LYS A 168 18.898 7.732 10.778 1.00 19.95 C ANISOU 1206 CG LYS A 168 2380 2631 2571 100 32 -97 C ATOM 1207 CD LYS A 168 20.319 8.069 10.462 1.00 16.69 C ANISOU 1207 CD LYS A 168 1942 2247 2152 108 45 -98 C ATOM 1208 CE LYS A 168 21.073 6.814 10.055 1.00 14.10 C ANISOU 1208 CE LYS A 168 1604 1924 1829 132 53 -142 C ATOM 1209 NZ LYS A 168 22.529 7.069 9.865 1.00 24.68 N ANISOU 1209 NZ LYS A 168 2914 3298 3166 143 66 -147 N ATOM 0 H LYS A 168 17.128 8.030 13.592 1.00 10.45 H new ATOM 0 HA LYS A 168 19.116 9.740 12.954 1.00 10.68 H new ATOM 0 HB2 LYS A 168 17.177 8.817 11.036 1.00 14.35 H new ATOM 0 HB3 LYS A 168 18.396 9.718 10.670 1.00 14.35 H new ATOM 0 HG2 LYS A 168 18.871 7.061 11.478 1.00 19.95 H new ATOM 0 HG3 LYS A 168 18.474 7.344 9.996 1.00 19.95 H new ATOM 0 HD2 LYS A 168 20.353 8.722 9.746 1.00 16.69 H new ATOM 0 HD3 LYS A 168 20.743 8.474 11.235 1.00 16.69 H new ATOM 0 HE2 LYS A 168 20.952 6.131 10.733 1.00 14.10 H new ATOM 0 HE3 LYS A 168 20.697 6.466 9.231 1.00 14.10 H new ATOM 0 HZ1 LYS A 168 22.948 6.299 9.714 1.00 24.68 H new ATOM 0 HZ2 LYS A 168 22.647 7.612 9.170 1.00 24.68 H new ATOM 0 HZ3 LYS A 168 22.862 7.449 10.598 1.00 24.68 H new ATOM 1210 N LEU A 169 17.623 11.743 12.962 1.00 8.67 N ANISOU 1210 N LEU A 169 973 1160 1162 61 17 19 N ATOM 1211 CA LEU A 169 16.716 12.882 13.019 1.00 8.86 C ANISOU 1211 CA LEU A 169 1007 1177 1183 54 14 47 C ATOM 1212 C LEU A 169 16.343 13.348 11.634 1.00 8.95 C ANISOU 1212 C LEU A 169 1012 1222 1167 50 17 60 C ATOM 1213 O LEU A 169 17.192 13.359 10.714 1.00 9.34 O ANISOU 1213 O LEU A 169 1050 1303 1197 45 27 59 O ATOM 1214 CB LEU A 169 17.363 14.053 13.744 1.00 9.57 C ANISOU 1214 CB LEU A 169 1100 1249 1286 44 17 68 C ATOM 1215 CG LEU A 169 17.839 13.776 15.165 1.00 11.14 C ANISOU 1215 CG LEU A 169 1303 1421 1508 45 12 59 C ATOM 1216 CD1 LEU A 169 18.419 15.027 15.796 1.00 11.49 C ANISOU 1216 CD1 LEU A 169 1352 1452 1563 30 15 76 C ATOM 1217 CD2 LEU A 169 16.668 13.270 16.048 1.00 12.00 C ANISOU 1217 CD2 LEU A 169 1425 1506 1627 51 3 51 C ATOM 0 H LEU A 169 18.457 11.952 12.991 1.00 8.67 H new ATOM 0 HA LEU A 169 15.924 12.588 13.495 1.00 8.86 H new ATOM 0 HB2 LEU A 169 18.122 14.356 13.221 1.00 9.57 H new ATOM 0 HB3 LEU A 169 16.727 14.785 13.771 1.00 9.57 H new ATOM 0 HG LEU A 169 18.526 13.093 15.112 1.00 11.14 H new ATOM 0 HD11 LEU A 169 18.715 14.827 16.698 1.00 11.49 H new ATOM 0 HD12 LEU A 169 19.173 15.335 15.270 1.00 11.49 H new ATOM 0 HD13 LEU A 169 17.741 15.720 15.825 1.00 11.49 H new ATOM 0 HD21 LEU A 169 16.990 13.100 16.947 1.00 12.00 H new ATOM 0 HD22 LEU A 169 15.970 13.943 16.077 1.00 12.00 H new ATOM 0 HD23 LEU A 169 16.310 12.450 15.673 1.00 12.00 H new ATOM 1218 N VAL A 170 15.091 13.768 11.479 1.00 8.33 N ANISOU 1218 N VAL A 170 940 1143 1083 54 9 75 N ATOM 1219 CA VAL A 170 14.615 14.360 10.233 1.00 8.74 C ANISOU 1219 CA VAL A 170 987 1227 1106 53 8 96 C ATOM 1220 C VAL A 170 13.936 15.681 10.538 1.00 10.44 C ANISOU 1220 C VAL A 170 1214 1422 1333 58 2 132 C ATOM 1221 O VAL A 170 13.589 16.005 11.696 1.00 10.46 O ANISOU 1221 O VAL A 170 1225 1387 1362 64 -1 132 O ATOM 1222 CB VAL A 170 13.619 13.457 9.445 1.00 9.47 C ANISOU 1222 CB VAL A 170 1070 1350 1176 56 -1 76 C ATOM 1223 CG1 VAL A 170 14.343 12.250 8.893 1.00 10.72 C ANISOU 1223 CG1 VAL A 170 1221 1530 1322 52 7 39 C ATOM 1224 CG2 VAL A 170 12.385 13.071 10.278 1.00 10.21 C ANISOU 1224 CG2 VAL A 170 1167 1424 1288 61 -12 66 C ATOM 0 H VAL A 170 14.493 13.718 12.095 1.00 8.33 H new ATOM 0 HA VAL A 170 15.396 14.477 9.669 1.00 8.74 H new ATOM 0 HB VAL A 170 13.274 13.971 8.699 1.00 9.47 H new ATOM 0 HG11 VAL A 170 13.717 11.693 8.404 1.00 10.72 H new ATOM 0 HG12 VAL A 170 15.050 12.541 8.297 1.00 10.72 H new ATOM 0 HG13 VAL A 170 14.727 11.740 9.624 1.00 10.72 H new ATOM 0 HG21 VAL A 170 11.798 12.511 9.746 1.00 10.21 H new ATOM 0 HG22 VAL A 170 12.667 12.584 11.068 1.00 10.21 H new ATOM 0 HG23 VAL A 170 11.911 13.874 10.546 1.00 10.21 H new ATOM 1225 N ASP A 171 13.681 16.411 9.450 1.00 10.03 N ANISOU 1225 N ASP A 171 1160 1394 1256 59 -1 162 N ATOM 1226 CA ASP A 171 12.859 17.626 9.345 1.00 10.76 C ANISOU 1226 CA ASP A 171 1263 1474 1352 71 -9 201 C ATOM 1227 C ASP A 171 13.517 18.866 9.927 1.00 11.45 C ANISOU 1227 C ASP A 171 1369 1518 1463 65 -2 227 C ATOM 1228 O ASP A 171 13.256 19.245 11.088 1.00 11.79 O ANISOU 1228 O ASP A 171 1422 1519 1537 73 -3 221 O ATOM 1229 CB ASP A 171 11.453 17.435 9.928 1.00 12.02 C ANISOU 1229 CB ASP A 171 1417 1624 1525 91 -22 191 C ATOM 1230 CG ASP A 171 10.470 18.476 9.407 1.00 13.96 C ANISOU 1230 CG ASP A 171 1664 1875 1765 111 -35 229 C ATOM 1231 OD1 ASP A 171 10.913 19.461 8.763 1.00 15.22 O ANISOU 1231 OD1 ASP A 171 1836 2030 1916 110 -34 268 O ATOM 1232 OD2 ASP A 171 9.251 18.288 9.610 1.00 18.79 O ANISOU 1232 OD2 ASP A 171 2263 2496 2380 129 -46 222 O ATOM 0 H ASP A 171 14.012 16.191 8.688 1.00 10.03 H new ATOM 0 HA ASP A 171 12.773 17.780 8.391 1.00 10.76 H new ATOM 0 HB2 ASP A 171 11.130 16.548 9.706 1.00 12.02 H new ATOM 0 HB3 ASP A 171 11.496 17.488 10.896 1.00 12.02 H new ATOM 1233 N PHE A 172 14.247 19.568 9.077 1.00 10.95 N ANISOU 1233 N PHE A 172 1312 1467 1382 50 5 258 N ATOM 1234 CA PHE A 172 14.842 20.849 9.411 1.00 10.93 C ANISOU 1234 CA PHE A 172 1330 1423 1398 38 11 289 C ATOM 1235 C PHE A 172 13.933 22.006 8.973 1.00 11.51 C ANISOU 1235 C PHE A 172 1423 1478 1475 57 0 334 C ATOM 1236 O PHE A 172 14.370 23.160 8.967 1.00 12.20 O ANISOU 1236 O PHE A 172 1532 1529 1573 46 5 368 O ATOM 1237 CB PHE A 172 16.193 20.970 8.724 1.00 12.73 C ANISOU 1237 CB PHE A 172 1555 1676 1606 7 27 299 C ATOM 1238 CG PHE A 172 17.226 20.092 9.363 1.00 13.65 C ANISOU 1238 CG PHE A 172 1654 1800 1730 -7 37 258 C ATOM 1239 CD1 PHE A 172 17.805 20.449 10.576 1.00 14.45 C ANISOU 1239 CD1 PHE A 172 1764 1862 1864 -17 41 247 C ATOM 1240 CD2 PHE A 172 17.621 18.907 8.755 1.00 16.38 C ANISOU 1240 CD2 PHE A 172 1977 2195 2051 -8 43 230 C ATOM 1241 CE1 PHE A 172 18.789 19.656 11.160 1.00 17.81 C ANISOU 1241 CE1 PHE A 172 2172 2300 2296 -27 48 214 C ATOM 1242 CE2 PHE A 172 18.597 18.095 9.347 1.00 20.47 C ANISOU 1242 CE2 PHE A 172 2480 2719 2580 -13 51 194 C ATOM 1243 CZ PHE A 172 19.193 18.490 10.535 1.00 19.64 C ANISOU 1243 CZ PHE A 172 2379 2576 2505 -22 52 189 C ATOM 0 H PHE A 172 14.414 19.308 8.274 1.00 10.95 H new ATOM 0 HA PHE A 172 14.955 20.898 10.373 1.00 10.93 H new ATOM 0 HB2 PHE A 172 16.102 20.733 7.788 1.00 12.73 H new ATOM 0 HB3 PHE A 172 16.490 21.893 8.755 1.00 12.73 H new ATOM 0 HD1 PHE A 172 17.531 21.228 11.003 1.00 14.45 H new ATOM 0 HD2 PHE A 172 17.235 18.651 7.949 1.00 16.38 H new ATOM 0 HE1 PHE A 172 19.174 19.909 11.968 1.00 17.81 H new ATOM 0 HE2 PHE A 172 18.844 17.294 8.945 1.00 20.47 H new ATOM 0 HZ PHE A 172 19.866 17.970 10.912 1.00 19.64 H new ATOM 1244 N GLY A 173 12.684 21.695 8.635 1.00 11.12 N ANISOU 1244 N GLY A 173 1362 1449 1414 85 -15 335 N ATOM 1245 CA GLY A 173 11.764 22.691 8.098 1.00 11.97 C ANISOU 1245 CA GLY A 173 1481 1548 1520 110 -30 380 C ATOM 1246 C GLY A 173 11.457 23.871 8.995 1.00 15.20 C ANISOU 1246 C GLY A 173 1915 1888 1972 128 -31 395 C ATOM 1247 O GLY A 173 11.035 24.917 8.478 1.00 16.02 O ANISOU 1247 O GLY A 173 2036 1972 2078 146 -40 442 O ATOM 0 H GLY A 173 12.349 20.907 8.710 1.00 11.12 H new ATOM 0 HA2 GLY A 173 12.132 23.028 7.266 1.00 11.97 H new ATOM 0 HA3 GLY A 173 10.929 22.248 7.880 1.00 11.97 H new ATOM 1248 N VAL A 174 11.596 23.753 10.316 1.00 11.99 N ANISOU 1248 N VAL A 174 1512 1444 1598 126 -22 359 N ATOM 1249 CA VAL A 174 11.365 24.875 11.231 1.00 11.43 C ANISOU 1249 CA VAL A 174 1466 1308 1568 141 -20 365 C ATOM 1250 C VAL A 174 12.601 25.197 12.032 1.00 13.28 C ANISOU 1250 C VAL A 174 1719 1505 1823 106 -4 350 C ATOM 1251 O VAL A 174 12.512 25.911 13.039 1.00 13.31 O ANISOU 1251 O VAL A 174 1741 1455 1859 112 0 338 O ATOM 1252 CB VAL A 174 10.118 24.684 12.126 1.00 14.91 C ANISOU 1252 CB VAL A 174 1895 1741 2030 178 -27 337 C ATOM 1253 CG1 VAL A 174 8.852 24.568 11.283 1.00 15.89 C ANISOU 1253 CG1 VAL A 174 1998 1903 2135 213 -45 357 C ATOM 1254 CG2 VAL A 174 10.231 23.473 13.049 1.00 14.68 C ANISOU 1254 CG2 VAL A 174 1846 1732 2001 163 -20 285 C ATOM 0 H VAL A 174 11.826 23.023 10.707 1.00 11.99 H new ATOM 0 HA VAL A 174 11.169 25.646 10.676 1.00 11.43 H new ATOM 0 HB VAL A 174 10.065 25.475 12.685 1.00 14.91 H new ATOM 0 HG11 VAL A 174 8.085 24.449 11.865 1.00 15.89 H new ATOM 0 HG12 VAL A 174 8.737 25.376 10.758 1.00 15.89 H new ATOM 0 HG13 VAL A 174 8.928 23.805 10.689 1.00 15.89 H new ATOM 0 HG21 VAL A 174 9.427 23.399 13.586 1.00 14.68 H new ATOM 0 HG22 VAL A 174 10.339 22.669 12.517 1.00 14.68 H new ATOM 0 HG23 VAL A 174 10.999 23.580 13.631 1.00 14.68 H new ATOM 1255 N SER A 175 13.762 24.745 11.576 1.00 11.09 N ANISOU 1255 N SER A 175 1434 1255 1523 70 5 349 N ATOM 1256 CA SER A 175 14.995 24.933 12.320 1.00 10.94 C ANISOU 1256 CA SER A 175 1423 1213 1519 33 19 332 C ATOM 1257 C SER A 175 15.518 26.357 12.283 1.00 12.68 C ANISOU 1257 C SER A 175 1678 1381 1758 13 25 365 C ATOM 1258 O SER A 175 15.086 27.185 11.450 1.00 14.01 O ANISOU 1258 O SER A 175 1866 1534 1924 25 20 411 O ATOM 1259 CB SER A 175 16.061 23.938 11.850 1.00 11.60 C ANISOU 1259 CB SER A 175 1482 1350 1574 5 27 317 C ATOM 1260 OG SER A 175 16.376 24.210 10.489 1.00 14.17 O ANISOU 1260 OG SER A 175 1808 1706 1870 -8 30 356 O ATOM 0 H SER A 175 13.856 24.324 10.832 1.00 11.09 H new ATOM 0 HA SER A 175 14.784 24.757 13.250 1.00 10.94 H new ATOM 0 HB2 SER A 175 16.856 24.013 12.400 1.00 11.60 H new ATOM 0 HB3 SER A 175 15.736 23.029 11.944 1.00 11.60 H new ATOM 0 HG SER A 175 15.774 23.896 9.994 1.00 14.17 H new ATOM 1261 N ALA A 176 16.447 26.657 13.174 1.00 11.84 N ANISOU 1261 N ALA A 176 1580 1247 1671 -18 36 344 N ATOM 1262 CA ALA A 176 17.089 27.963 13.242 1.00 12.63 C ANISOU 1262 CA ALA A 176 1713 1294 1791 -49 44 368 C ATOM 1263 C ALA A 176 18.587 27.803 13.161 1.00 13.86 C ANISOU 1263 C ALA A 176 1857 1478 1934 -102 57 362 C ATOM 1264 O ALA A 176 19.129 26.883 13.768 1.00 12.95 O ANISOU 1264 O ALA A 176 1713 1395 1811 -111 59 323 O ATOM 1265 CB ALA A 176 16.741 28.614 14.579 1.00 14.25 C ANISOU 1265 CB ALA A 176 1941 1438 2035 -39 44 338 C ATOM 0 H ALA A 176 16.729 26.101 13.767 1.00 11.84 H new ATOM 0 HA ALA A 176 16.780 28.512 12.504 1.00 12.63 H new ATOM 0 HB1 ALA A 176 17.164 29.485 14.635 1.00 14.25 H new ATOM 0 HB2 ALA A 176 15.779 28.717 14.648 1.00 14.25 H new ATOM 0 HB3 ALA A 176 17.059 28.054 15.304 1.00 14.25 H new ATOM 1266 N GLN A 177 19.270 28.741 12.501 1.00 13.45 N ANISOU 1266 N GLN A 177 1825 1407 1878 -139 65 401 N ATOM 1267 CA GLN A 177 20.734 28.825 12.467 1.00 14.75 C ANISOU 1267 CA GLN A 177 1978 1594 2034 -197 80 398 C ATOM 1268 C GLN A 177 21.097 30.126 13.215 1.00 14.76 C ANISOU 1268 C GLN A 177 2017 1520 2070 -231 85 400 C ATOM 1269 O GLN A 177 20.727 31.220 12.752 1.00 16.87 O ANISOU 1269 O GLN A 177 2325 1734 2352 -233 85 443 O ATOM 1270 CB GLN A 177 21.240 28.862 11.002 1.00 18.11 C ANISOU 1270 CB GLN A 177 2395 2065 2421 -222 89 443 C ATOM 1271 CG GLN A 177 22.724 29.203 10.841 1.00 18.90 C ANISOU 1271 CG GLN A 177 2484 2185 2512 -288 107 449 C ATOM 1272 CD GLN A 177 23.563 28.031 11.295 1.00 17.76 C ANISOU 1272 CD GLN A 177 2290 2103 2354 -295 112 399 C ATOM 1273 OE1 GLN A 177 23.813 27.093 10.532 1.00 22.78 O ANISOU 1273 OE1 GLN A 177 2891 2806 2956 -286 117 394 O ATOM 1274 NE2 GLN A 177 24.044 28.057 12.523 1.00 19.88 N ANISOU 1274 NE2 GLN A 177 2553 2351 2647 -309 110 361 N ATOM 0 H GLN A 177 18.885 29.363 12.049 1.00 13.45 H new ATOM 0 HA GLN A 177 21.150 28.054 12.884 1.00 14.75 H new ATOM 0 HB2 GLN A 177 21.074 27.998 10.594 1.00 18.11 H new ATOM 0 HB3 GLN A 177 20.717 29.513 10.509 1.00 18.11 H new ATOM 0 HG2 GLN A 177 22.919 29.413 9.914 1.00 18.90 H new ATOM 0 HG3 GLN A 177 22.943 29.991 11.362 1.00 18.90 H new ATOM 0 HE21 GLN A 177 23.861 28.717 13.043 1.00 19.88 H new ATOM 0 HE22 GLN A 177 24.541 27.414 12.804 1.00 19.88 H new ATOM 1275 N LEU A 178 21.791 30.013 14.355 1.00 15.47 N ANISOU 1275 N LEU A 178 2096 1607 2175 -256 88 356 N ATOM 1276 CA LEU A 178 22.267 31.140 15.178 1.00 16.04 C ANISOU 1276 CA LEU A 178 2201 1616 2279 -296 94 346 C ATOM 1277 C LEU A 178 23.664 31.583 14.685 1.00 20.61 C ANISOU 1277 C LEU A 178 2773 2214 2845 -367 108 365 C ATOM 1278 O LEU A 178 24.341 30.846 13.955 1.00 20.08 O ANISOU 1278 O LEU A 178 2666 2219 2744 -381 115 373 O ATOM 1279 CB LEU A 178 22.399 30.698 16.654 1.00 16.35 C ANISOU 1279 CB LEU A 178 2225 1657 2331 -293 89 285 C ATOM 1280 CG LEU A 178 21.176 30.127 17.368 1.00 20.60 C ANISOU 1280 CG LEU A 178 2763 2188 2878 -232 77 257 C ATOM 1281 CD1 LEU A 178 21.572 29.554 18.707 1.00 21.59 C ANISOU 1281 CD1 LEU A 178 2867 2333 3004 -241 73 204 C ATOM 1282 CD2 LEU A 178 20.135 31.220 17.600 1.00 23.88 C ANISOU 1282 CD2 LEU A 178 3224 2522 3325 -205 76 265 C ATOM 0 H LEU A 178 22.007 29.248 14.684 1.00 15.47 H new ATOM 0 HA LEU A 178 21.631 31.869 15.104 1.00 16.04 H new ATOM 0 HB2 LEU A 178 23.102 30.031 16.698 1.00 16.35 H new ATOM 0 HB3 LEU A 178 22.704 31.465 17.163 1.00 16.35 H new ATOM 0 HG LEU A 178 20.801 29.430 16.807 1.00 20.60 H new ATOM 0 HD11 LEU A 178 20.788 29.195 19.150 1.00 21.59 H new ATOM 0 HD12 LEU A 178 22.222 28.846 18.577 1.00 21.59 H new ATOM 0 HD13 LEU A 178 21.961 30.253 19.256 1.00 21.59 H new ATOM 0 HD21 LEU A 178 19.365 30.843 18.054 1.00 23.88 H new ATOM 0 HD22 LEU A 178 20.520 31.923 18.147 1.00 23.88 H new ATOM 0 HD23 LEU A 178 19.858 31.590 16.747 1.00 23.88 H new ATOM 1283 N ASP A 179 24.099 32.760 15.155 1.00 20.46 N ANISOU 1283 N ASP A 179 2789 2132 2852 -413 114 366 N ATOM 1284 CA ASP A 179 25.394 33.387 14.876 1.00 21.84 C ANISOU 1284 CA ASP A 179 2962 2314 3022 -491 129 381 C ATOM 1285 C ASP A 179 26.399 33.152 16.006 1.00 25.68 C ANISOU 1285 C ASP A 179 3418 2826 3511 -531 130 327 C ATOM 1286 O ASP A 179 27.608 33.268 15.777 1.00 26.09 O ANISOU 1286 O ASP A 179 3446 2919 3549 -594 141 330 O ATOM 1287 CB ASP A 179 25.219 34.889 14.621 1.00 26.38 C ANISOU 1287 CB ASP A 179 3601 2796 3626 -521 135 421 C ATOM 0 H ASP A 179 23.613 33.241 15.677 1.00 20.46 H new ATOM 0 HA ASP A 179 25.752 32.970 14.077 1.00 21.84 H new ATOM 1288 N ARG A 180 25.913 32.845 17.226 1.00 22.03 N ANISOU 1288 N ARG A 180 2957 2349 3066 -499 118 278 N ATOM 1289 CA ARG A 180 26.748 32.608 18.408 1.00 22.68 C ANISOU 1289 CA ARG A 180 3012 2457 3149 -532 114 226 C ATOM 1290 C ARG A 180 26.087 31.578 19.263 1.00 24.29 C ANISOU 1290 C ARG A 180 3194 2686 3348 -474 100 188 C ATOM 1291 O ARG A 180 24.859 31.440 19.197 1.00 22.02 O ANISOU 1291 O ARG A 180 2929 2369 3070 -417 94 194 O ATOM 1292 CB ARG A 180 26.916 33.901 19.197 1.00 24.91 C ANISOU 1292 CB ARG A 180 3339 2663 3463 -578 117 208 C ATOM 0 H ARG A 180 25.071 32.769 17.385 1.00 22.03 H new ATOM 0 HA ARG A 180 27.624 32.297 18.132 1.00 22.68 H new HETATM 1293 N TPO A 181 26.873 30.838 20.076 1.00 22.94 N ANISOU 1293 N TPO A 181 2980 2572 3162 -488 92 150 N HETATM 1294 CA TPO A 181 26.366 29.810 20.978 1.00 23.79 C ANISOU 1294 CA TPO A 181 3068 2708 3263 -440 78 116 C HETATM 1295 CB TPO A 181 27.558 29.207 21.796 1.00 26.02 C ANISOU 1295 CB TPO A 181 3304 3054 3529 -470 69 83 C HETATM 1296 CG2 TPO A 181 27.145 28.020 22.684 1.00 27.20 C ANISOU 1296 CG2 TPO A 181 3431 3238 3666 -422 52 55 C HETATM 1297 OG1 TPO A 181 28.529 28.744 20.794 1.00 26.69 O ANISOU 1297 OG1 TPO A 181 3346 3200 3593 -489 76 106 O HETATM 1298 P TPO A 181 29.908 29.365 20.855 1.00 27.01 P ANISOU 1298 P TPO A 181 3365 3267 3631 -563 82 100 P HETATM 1299 O1P TPO A 181 30.767 28.688 19.773 1.00 28.48 O ANISOU 1299 O1P TPO A 181 3501 3528 3793 -569 92 121 O HETATM 1300 O2P TPO A 181 30.516 29.141 22.283 1.00 27.44 O ANISOU 1300 O2P TPO A 181 3395 3350 3681 -580 65 54 O HETATM 1301 O3P TPO A 181 29.872 30.792 20.526 1.00 26.08 O ANISOU 1301 O3P TPO A 181 3295 3082 3532 -613 96 119 O HETATM 1302 C TPO A 181 25.241 30.345 21.882 1.00 26.64 C ANISOU 1302 C TPO A 181 3471 3002 3646 -412 74 93 C HETATM 1303 O TPO A 181 24.269 29.633 22.109 1.00 28.31 O ANISOU 1303 O TPO A 181 3681 3220 3855 -357 67 86 O HETATM 0 HG23 TPO A 181 26.471 28.310 23.319 1.00 27.20 H new HETATM 0 HG22 TPO A 181 26.783 27.311 22.129 1.00 27.20 H new HETATM 0 HG21 TPO A 181 27.920 27.690 23.164 1.00 27.20 H new HETATM 0 HB TPO A 181 27.912 29.880 22.398 1.00 26.02 H new HETATM 0 HA TPO A 181 25.964 29.099 20.455 1.00 23.79 H new HETATM 0 H TPO A 181 27.713 31.021 20.061 1.00 22.94 H new ATOM 1304 N VAL A 182 25.403 31.581 22.388 1.00 26.14 N ANISOU 1304 N VAL A 182 3445 2879 3606 -452 79 79 N ATOM 1305 CA VAL A 182 24.458 32.272 23.288 1.00 26.25 C ANISOU 1305 CA VAL A 182 3503 2827 3645 -432 79 49 C ATOM 1306 C VAL A 182 23.327 33.023 22.529 1.00 29.13 C ANISOU 1306 C VAL A 182 3912 3120 4035 -394 86 82 C ATOM 1307 O VAL A 182 22.591 33.811 23.135 1.00 29.03 O ANISOU 1307 O VAL A 182 3939 3042 4048 -378 89 60 O ATOM 1308 CB VAL A 182 25.195 33.227 24.286 1.00 30.31 C ANISOU 1308 CB VAL A 182 4035 3309 4171 -494 81 9 C ATOM 1309 CG1 VAL A 182 26.200 32.473 25.160 1.00 30.48 C ANISOU 1309 CG1 VAL A 182 4009 3407 4164 -524 69 -26 C ATOM 1310 CG2 VAL A 182 25.861 34.400 23.569 1.00 30.54 C ANISOU 1310 CG2 VAL A 182 4095 3291 4220 -552 93 36 C ATOM 0 H VAL A 182 26.095 32.058 22.208 1.00 26.14 H new ATOM 0 HA VAL A 182 24.028 31.572 23.804 1.00 26.25 H new ATOM 0 HB VAL A 182 24.515 33.593 24.872 1.00 30.31 H new ATOM 0 HG11 VAL A 182 26.635 33.095 25.763 1.00 30.48 H new ATOM 0 HG12 VAL A 182 25.736 31.795 25.675 1.00 30.48 H new ATOM 0 HG13 VAL A 182 26.866 32.050 24.596 1.00 30.48 H new ATOM 0 HG21 VAL A 182 26.305 34.967 24.219 1.00 30.54 H new ATOM 0 HG22 VAL A 182 26.513 34.064 22.934 1.00 30.54 H new ATOM 0 HG23 VAL A 182 25.188 34.916 23.098 1.00 30.54 H new ATOM 1311 N GLY A 183 23.226 32.801 21.219 1.00 23.05 N ANISOU 1311 N GLY A 183 3136 2364 3256 -379 89 133 N ATOM 1312 CA GLY A 183 22.234 33.464 20.370 1.00 21.35 C ANISOU 1312 CA GLY A 183 2959 2092 3061 -343 92 174 C ATOM 1313 C GLY A 183 20.821 33.076 20.749 1.00 19.91 C ANISOU 1313 C GLY A 183 2780 1899 2885 -271 85 159 C ATOM 1314 O GLY A 183 20.585 31.984 21.255 1.00 18.80 O ANISOU 1314 O GLY A 183 2604 1813 2725 -246 78 133 O ATOM 0 H GLY A 183 23.737 32.256 20.793 1.00 23.05 H new ATOM 0 HA2 GLY A 183 22.336 34.426 20.444 1.00 21.35 H new ATOM 0 HA3 GLY A 183 22.395 33.232 19.442 1.00 21.35 H new ATOM 1315 N ARG A 184 19.883 33.984 20.545 1.00 18.08 N ANISOU 1315 N ARG A 184 2590 1597 2683 -238 87 174 N ATOM 1316 CA ARG A 184 18.500 33.757 20.919 1.00 16.94 C ANISOU 1316 CA ARG A 184 2447 1442 2548 -169 82 158 C ATOM 1317 C ARG A 184 17.541 33.902 19.778 1.00 18.33 C ANISOU 1317 C ARG A 184 2632 1604 2728 -119 77 209 C ATOM 1318 O ARG A 184 17.826 34.573 18.768 1.00 18.68 O ANISOU 1318 O ARG A 184 2701 1619 2779 -136 78 259 O ATOM 1319 CB ARG A 184 18.128 34.669 22.085 1.00 18.19 C ANISOU 1319 CB ARG A 184 2640 1533 2738 -165 88 111 C ATOM 1320 CG ARG A 184 19.100 34.435 23.256 1.00 24.16 C ANISOU 1320 CG ARG A 184 3381 2316 3481 -218 90 58 C ATOM 1321 CD ARG A 184 18.782 35.176 24.508 1.00 25.25 C ANISOU 1321 CD ARG A 184 3549 2404 3642 -218 97 1 C ATOM 1322 NE ARG A 184 17.586 34.647 25.151 1.00 20.80 N ANISOU 1322 NE ARG A 184 2971 1859 3074 -157 96 -28 N ATOM 1323 CZ ARG A 184 17.538 33.565 25.918 1.00 23.90 C ANISOU 1323 CZ ARG A 184 3325 2321 3436 -153 92 -57 C ATOM 1324 NH1 ARG A 184 18.629 32.828 26.115 1.00 23.16 N ANISOU 1324 NH1 ARG A 184 3202 2286 3313 -198 85 -60 N ATOM 1325 NH2 ARG A 184 16.391 33.188 26.463 1.00 25.70 N ANISOU 1325 NH2 ARG A 184 3543 2562 3661 -102 94 -81 N ATOM 0 H ARG A 184 20.030 34.751 20.185 1.00 18.08 H new ATOM 0 HA ARG A 184 18.425 32.831 21.197 1.00 16.94 H new ATOM 0 HB2 ARG A 184 18.162 35.597 21.805 1.00 18.19 H new ATOM 0 HB3 ARG A 184 17.217 34.492 22.368 1.00 18.19 H new ATOM 0 HG2 ARG A 184 19.119 33.486 23.456 1.00 24.16 H new ATOM 0 HG3 ARG A 184 19.993 34.683 22.970 1.00 24.16 H new ATOM 0 HD2 ARG A 184 19.533 35.118 25.120 1.00 25.25 H new ATOM 0 HD3 ARG A 184 18.653 36.116 24.306 1.00 25.25 H new ATOM 0 HE ARG A 184 16.849 35.072 25.023 1.00 20.80 H new ATOM 0 HH11 ARG A 184 19.372 33.052 25.744 1.00 23.16 H new ATOM 0 HH12 ARG A 184 18.591 32.128 26.613 1.00 23.16 H new ATOM 0 HH21 ARG A 184 15.676 33.645 26.320 1.00 25.70 H new ATOM 0 HH22 ARG A 184 16.361 32.487 26.960 1.00 25.70 H new ATOM 1326 N ARG A 185 16.355 33.292 19.953 1.00 15.13 N ANISOU 1326 N ARG A 185 2208 1222 2319 -59 70 197 N ATOM 1327 CA ARG A 185 15.282 33.357 18.973 1.00 14.05 C ANISOU 1327 CA ARG A 185 2073 1081 2185 -4 62 239 C ATOM 1328 C ARG A 185 13.981 33.709 19.665 1.00 16.40 C ANISOU 1328 C ARG A 185 2380 1345 2508 55 61 211 C ATOM 1329 O ARG A 185 13.883 33.573 20.886 1.00 16.29 O ANISOU 1329 O ARG A 185 2360 1330 2499 54 68 156 O ATOM 1330 CB ARG A 185 15.144 32.008 18.212 1.00 13.61 C ANISOU 1330 CB ARG A 185 1970 1112 2088 8 53 257 C ATOM 1331 CG ARG A 185 16.422 31.518 17.487 1.00 15.15 C ANISOU 1331 CG ARG A 185 2149 1353 2254 -46 56 280 C ATOM 1332 CD ARG A 185 16.804 32.432 16.330 1.00 17.42 C ANISOU 1332 CD ARG A 185 2466 1608 2544 -66 58 338 C ATOM 1333 NE ARG A 185 15.859 32.288 15.237 1.00 15.54 N ANISOU 1333 NE ARG A 185 2222 1388 2293 -20 46 382 N ATOM 1334 CZ ARG A 185 16.197 32.056 13.977 1.00 17.42 C ANISOU 1334 CZ ARG A 185 2451 1667 2500 -35 44 428 C ATOM 1335 NH1 ARG A 185 17.479 32.068 13.611 1.00 18.34 N ANISOU 1335 NH1 ARG A 185 2565 1802 2600 -94 55 440 N ATOM 1336 NH2 ARG A 185 15.266 31.821 13.075 1.00 16.70 N ANISOU 1336 NH2 ARG A 185 2351 1602 2393 9 32 461 N ATOM 0 H ARG A 185 16.160 32.829 20.651 1.00 15.13 H new ATOM 0 HA ARG A 185 15.495 34.046 18.324 1.00 14.05 H new ATOM 0 HB2 ARG A 185 14.867 31.325 18.843 1.00 13.61 H new ATOM 0 HB3 ARG A 185 14.433 32.095 17.558 1.00 13.61 H new ATOM 0 HG2 ARG A 185 17.156 31.474 18.120 1.00 15.15 H new ATOM 0 HG3 ARG A 185 16.280 30.618 17.154 1.00 15.15 H new ATOM 0 HD2 ARG A 185 16.821 33.354 16.631 1.00 17.42 H new ATOM 0 HD3 ARG A 185 17.698 32.217 16.022 1.00 17.42 H new ATOM 0 HE ARG A 185 15.022 32.358 15.420 1.00 15.54 H new ATOM 0 HH11 ARG A 185 18.091 32.227 14.194 1.00 18.34 H new ATOM 0 HH12 ARG A 185 17.694 31.917 12.792 1.00 18.34 H new ATOM 0 HH21 ARG A 185 14.437 31.818 13.303 1.00 16.70 H new ATOM 0 HH22 ARG A 185 15.487 31.671 12.258 1.00 16.70 H new ATOM 1337 N ASN A 186 12.973 34.121 18.901 1.00 14.73 N ANISOU 1337 N ASN A 186 2176 1111 2308 109 53 248 N ATOM 1338 CA ASN A 186 11.662 34.428 19.498 1.00 15.46 C ANISOU 1338 CA ASN A 186 2270 1180 2426 173 52 221 C ATOM 1339 C ASN A 186 10.481 33.915 18.683 1.00 16.56 C ANISOU 1339 C ASN A 186 2377 1363 2551 232 38 252 C ATOM 1340 O ASN A 186 9.345 34.274 18.985 1.00 17.19 O ANISOU 1340 O ASN A 186 2455 1424 2653 290 37 239 O ATOM 1341 CB ASN A 186 11.505 35.920 19.786 1.00 18.10 C ANISOU 1341 CB ASN A 186 2658 1412 2808 189 58 219 C ATOM 1342 CG ASN A 186 11.503 36.777 18.550 1.00 23.21 C ANISOU 1342 CG ASN A 186 3339 2010 3471 200 49 290 C ATOM 1343 OD1 ASN A 186 11.617 36.292 17.422 1.00 21.38 O ANISOU 1343 OD1 ASN A 186 3090 1825 3209 194 38 342 O ATOM 1344 ND2 ASN A 186 11.387 38.084 18.736 1.00 23.87 N ANISOU 1344 ND2 ASN A 186 3475 1996 3599 213 53 293 N ATOM 0 H ASN A 186 13.019 34.230 18.049 1.00 14.73 H new ATOM 0 HA ASN A 186 11.648 33.945 20.339 1.00 15.46 H new ATOM 0 HB2 ASN A 186 10.677 36.062 20.270 1.00 18.10 H new ATOM 0 HB3 ASN A 186 12.226 36.207 20.368 1.00 18.10 H new ATOM 0 HD21 ASN A 186 11.390 38.616 18.061 1.00 23.87 H new ATOM 0 HD22 ASN A 186 11.309 38.400 19.532 1.00 23.87 H new HETATM 1345 N TPO A 187 10.706 33.060 17.666 1.00 14.55 N ANISOU 1345 N TPO A 187 2096 1172 2259 218 28 289 N HETATM 1346 CA TPO A 187 9.579 32.592 16.873 1.00 14.41 C ANISOU 1346 CA TPO A 187 2048 1201 2226 269 13 316 C HETATM 1347 CB TPO A 187 10.027 32.035 15.495 1.00 15.70 C ANISOU 1347 CB TPO A 187 2198 1415 2351 247 2 367 C HETATM 1348 CG2 TPO A 187 8.830 31.621 14.631 1.00 17.77 C ANISOU 1348 CG2 TPO A 187 2429 1726 2595 298 -16 395 C HETATM 1349 OG1 TPO A 187 10.696 33.109 14.779 1.00 16.23 O ANISOU 1349 OG1 TPO A 187 2309 1426 2431 226 2 417 O HETATM 1350 P TPO A 187 12.234 32.975 14.461 1.00 16.11 P ANISOU 1350 P TPO A 187 2304 1422 2396 151 13 429 P HETATM 1351 O1P TPO A 187 12.418 31.776 13.520 1.00 17.24 O ANISOU 1351 O1P TPO A 187 2407 1655 2489 138 6 445 O HETATM 1352 O2P TPO A 187 12.556 34.270 13.721 1.00 18.75 O ANISOU 1352 O2P TPO A 187 2687 1689 2748 141 11 488 O HETATM 1353 O3P TPO A 187 13.010 32.724 15.694 1.00 17.21 O ANISOU 1353 O3P TPO A 187 2441 1554 2544 112 28 372 O HETATM 1354 C TPO A 187 8.825 31.506 17.659 1.00 14.96 C ANISOU 1354 C TPO A 187 2072 1329 2281 288 15 266 C HETATM 1355 O TPO A 187 9.405 30.492 18.087 1.00 14.09 O ANISOU 1355 O TPO A 187 1941 1265 2147 250 21 238 O HETATM 0 HG23 TPO A 187 8.324 30.931 15.088 1.00 17.77 H new HETATM 0 HG22 TPO A 187 8.260 32.391 14.477 1.00 17.77 H new HETATM 0 HG21 TPO A 187 9.147 31.279 13.781 1.00 17.77 H new HETATM 0 HB TPO A 187 10.594 31.264 15.652 1.00 15.70 H new HETATM 0 HA TPO A 187 8.996 33.348 16.702 1.00 14.41 H new HETATM 0 H TPO A 187 11.505 33.007 17.351 1.00 14.55 H new ATOM 1356 N PHE A 188 7.518 31.685 17.793 1.00 15.15 N ANISOU 1356 N PHE A 188 2082 1357 2320 348 10 259 N ATOM 1357 CA PHE A 188 6.656 30.688 18.412 1.00 13.72 C ANISOU 1357 CA PHE A 188 1855 1236 2123 366 12 219 C ATOM 1358 C PHE A 188 6.430 29.611 17.346 1.00 16.47 C ANISOU 1358 C PHE A 188 2167 1658 2432 361 -4 248 C ATOM 1359 O PHE A 188 5.732 29.847 16.346 1.00 18.05 O ANISOU 1359 O PHE A 188 2358 1873 2628 397 -20 288 O ATOM 1360 CB PHE A 188 5.340 31.358 18.786 1.00 15.52 C ANISOU 1360 CB PHE A 188 2074 1444 2378 432 11 205 C ATOM 1361 CG PHE A 188 4.253 30.421 19.268 1.00 16.80 C ANISOU 1361 CG PHE A 188 2185 1675 2523 455 13 171 C ATOM 1362 CD1 PHE A 188 4.401 29.709 20.452 1.00 17.40 C ANISOU 1362 CD1 PHE A 188 2247 1777 2588 425 29 118 C ATOM 1363 CD2 PHE A 188 3.053 30.308 18.577 1.00 19.65 C ANISOU 1363 CD2 PHE A 188 2511 2076 2880 506 -3 192 C ATOM 1364 CE1 PHE A 188 3.370 28.887 20.924 1.00 18.41 C ANISOU 1364 CE1 PHE A 188 2328 1966 2700 442 32 89 C ATOM 1365 CE2 PHE A 188 2.020 29.501 19.055 1.00 22.73 C ANISOU 1365 CE2 PHE A 188 2850 2530 3255 523 1 158 C ATOM 1366 CZ PHE A 188 2.185 28.793 20.223 1.00 20.14 C ANISOU 1366 CZ PHE A 188 2511 2224 2916 489 19 108 C ATOM 0 H PHE A 188 7.104 32.390 17.527 1.00 15.15 H new ATOM 0 HA PHE A 188 7.040 30.302 19.214 1.00 13.72 H new ATOM 0 HB2 PHE A 188 5.513 32.013 19.480 1.00 15.52 H new ATOM 0 HB3 PHE A 188 5.010 31.843 18.014 1.00 15.52 H new ATOM 0 HD1 PHE A 188 5.192 29.779 20.936 1.00 17.40 H new ATOM 0 HD2 PHE A 188 2.936 30.778 17.783 1.00 19.65 H new ATOM 0 HE1 PHE A 188 3.484 28.404 21.711 1.00 18.41 H new ATOM 0 HE2 PHE A 188 1.220 29.442 18.584 1.00 22.73 H new ATOM 0 HZ PHE A 188 1.499 28.251 20.540 1.00 20.14 H new ATOM 1367 N ILE A 189 7.062 28.454 17.539 1.00 13.75 N ANISOU 1367 N ILE A 189 1804 1360 2058 316 1 228 N ATOM 1368 CA ILE A 189 7.051 27.392 16.536 1.00 14.39 C ANISOU 1368 CA ILE A 189 1857 1506 2103 303 -11 249 C ATOM 1369 C ILE A 189 7.332 26.077 17.219 1.00 14.52 C ANISOU 1369 C ILE A 189 1851 1566 2099 270 -4 210 C ATOM 1370 O ILE A 189 7.955 26.046 18.288 1.00 14.57 O ANISOU 1370 O ILE A 189 1869 1551 2115 245 9 178 O ATOM 1371 CB ILE A 189 8.097 27.746 15.423 1.00 17.86 C ANISOU 1371 CB ILE A 189 2321 1934 2531 275 -16 295 C ATOM 1372 CG1 ILE A 189 7.776 27.033 14.078 1.00 18.58 C ANISOU 1372 CG1 ILE A 189 2386 2088 2585 279 -31 327 C ATOM 1373 CG2 ILE A 189 9.528 27.514 15.892 1.00 18.46 C ANISOU 1373 CG2 ILE A 189 2413 1998 2604 220 -2 278 C ATOM 1374 CD1 ILE A 189 8.237 27.843 12.861 1.00 30.68 C ANISOU 1374 CD1 ILE A 189 3943 3604 4109 276 -39 385 C ATOM 0 H ILE A 189 7.506 28.264 18.250 1.00 13.75 H new ATOM 0 HA ILE A 189 6.186 27.311 16.104 1.00 14.39 H new ATOM 0 HB ILE A 189 8.022 28.697 15.249 1.00 17.86 H new ATOM 0 HG12 ILE A 189 8.205 26.163 14.066 1.00 18.58 H new ATOM 0 HG13 ILE A 189 6.820 26.878 14.017 1.00 18.58 H new ATOM 0 HG21 ILE A 189 10.144 27.743 15.178 1.00 18.46 H new ATOM 0 HG22 ILE A 189 9.709 28.070 16.666 1.00 18.46 H new ATOM 0 HG23 ILE A 189 9.643 26.581 16.130 1.00 18.46 H new ATOM 0 HD11 ILE A 189 8.017 27.361 12.049 1.00 30.68 H new ATOM 0 HD12 ILE A 189 7.790 28.704 12.857 1.00 30.68 H new ATOM 0 HD13 ILE A 189 9.197 27.978 12.906 1.00 30.68 H new ATOM 1375 N GLY A 190 6.905 24.989 16.584 1.00 13.97 N ANISOU 1375 N GLY A 190 1750 1556 2002 268 -13 212 N ATOM 1376 CA GLY A 190 7.056 23.646 17.132 1.00 13.33 C ANISOU 1376 CA GLY A 190 1648 1513 1902 240 -8 179 C ATOM 1377 C GLY A 190 5.715 22.944 17.244 1.00 13.93 C ANISOU 1377 C GLY A 190 1689 1635 1969 260 -14 162 C ATOM 1378 O GLY A 190 4.691 23.426 16.745 1.00 15.87 O ANISOU 1378 O GLY A 190 1919 1893 2218 298 -23 178 O ATOM 0 H GLY A 190 6.517 25.011 15.817 1.00 13.97 H new ATOM 0 HA2 GLY A 190 7.649 23.128 16.566 1.00 13.33 H new ATOM 0 HA3 GLY A 190 7.472 23.696 18.007 1.00 13.33 H new ATOM 1379 N THR A 191 5.706 21.818 17.933 1.00 11.48 N ANISOU 1379 N THR A 191 1364 1351 1647 235 -8 132 N ATOM 1380 CA THR A 191 4.495 21.013 18.117 1.00 11.11 C ANISOU 1380 CA THR A 191 1283 1350 1589 243 -10 114 C ATOM 1381 C THR A 191 4.098 21.138 19.591 1.00 12.38 C ANISOU 1381 C THR A 191 1441 1499 1762 244 6 81 C ATOM 1382 O THR A 191 4.886 20.767 20.462 1.00 11.90 O ANISOU 1382 O THR A 191 1397 1423 1701 215 15 63 O ATOM 1383 CB THR A 191 4.735 19.562 17.710 1.00 12.31 C ANISOU 1383 CB THR A 191 1423 1539 1715 209 -15 106 C ATOM 1384 OG1 THR A 191 5.246 19.512 16.370 1.00 12.75 O ANISOU 1384 OG1 THR A 191 1483 1606 1756 205 -26 132 O ATOM 1385 CG2 THR A 191 3.470 18.750 17.798 1.00 12.11 C ANISOU 1385 CG2 THR A 191 1362 1561 1677 209 -18 89 C ATOM 0 H THR A 191 6.404 21.490 18.313 1.00 11.48 H new ATOM 0 HA THR A 191 3.775 21.331 17.550 1.00 11.11 H new ATOM 0 HB THR A 191 5.382 19.182 18.324 1.00 12.31 H new ATOM 0 HG1 THR A 191 6.084 19.574 16.387 1.00 12.75 H new ATOM 0 HG21 THR A 191 3.654 17.835 17.534 1.00 12.11 H new ATOM 0 HG22 THR A 191 3.140 18.763 18.710 1.00 12.11 H new ATOM 0 HG23 THR A 191 2.801 19.128 17.207 1.00 12.11 H new ATOM 1386 N PRO A 192 2.910 21.673 19.878 1.00 12.04 N ANISOU 1386 N PRO A 192 1378 1468 1730 280 8 72 N ATOM 1387 CA PRO A 192 2.558 22.061 21.255 1.00 11.89 C ANISOU 1387 CA PRO A 192 1359 1435 1724 287 26 39 C ATOM 1388 C PRO A 192 2.969 21.127 22.387 1.00 13.72 C ANISOU 1388 C PRO A 192 1595 1678 1942 245 38 11 C ATOM 1389 O PRO A 192 3.603 21.604 23.329 1.00 12.11 O ANISOU 1389 O PRO A 192 1414 1441 1746 236 50 -5 O ATOM 1390 CB PRO A 192 1.045 22.253 21.182 1.00 13.13 C ANISOU 1390 CB PRO A 192 1474 1630 1883 326 25 31 C ATOM 1391 CG PRO A 192 0.846 22.814 19.810 1.00 15.41 C ANISOU 1391 CG PRO A 192 1760 1917 2176 358 6 69 C ATOM 1392 CD PRO A 192 1.911 22.183 18.915 1.00 13.51 C ANISOU 1392 CD PRO A 192 1540 1676 1918 322 -6 93 C ATOM 0 HA PRO A 192 3.064 22.849 21.507 1.00 11.89 H new ATOM 0 HB2 PRO A 192 0.570 21.416 21.300 1.00 13.13 H new ATOM 0 HB3 PRO A 192 0.726 22.860 21.868 1.00 13.13 H new ATOM 0 HG2 PRO A 192 -0.044 22.611 19.481 1.00 15.41 H new ATOM 0 HG3 PRO A 192 0.932 23.780 19.818 1.00 15.41 H new ATOM 0 HD2 PRO A 192 1.543 21.470 18.370 1.00 13.51 H new ATOM 0 HD3 PRO A 192 2.299 22.833 18.308 1.00 13.51 H new ATOM 1393 N TYR A 193 2.646 19.854 22.338 1.00 10.77 N ANISOU 1393 N TYR A 193 1200 1345 1546 217 36 7 N ATOM 1394 CA TYR A 193 2.905 18.985 23.492 1.00 9.49 C ANISOU 1394 CA TYR A 193 1042 1192 1370 180 47 -14 C ATOM 1395 C TYR A 193 4.379 18.828 23.794 1.00 11.05 C ANISOU 1395 C TYR A 193 1275 1356 1567 153 45 -9 C ATOM 1396 O TYR A 193 4.732 18.529 24.941 1.00 10.40 O ANISOU 1396 O TYR A 193 1203 1270 1477 131 54 -26 O ATOM 1397 CB TYR A 193 2.273 17.592 23.319 1.00 10.71 C ANISOU 1397 CB TYR A 193 1173 1392 1504 152 43 -16 C ATOM 1398 CG TYR A 193 0.805 17.643 22.947 1.00 14.03 C ANISOU 1398 CG TYR A 193 1552 1857 1921 173 43 -22 C ATOM 1399 CD1 TYR A 193 -0.177 17.900 23.907 1.00 14.69 C ANISOU 1399 CD1 TYR A 193 1611 1967 2005 183 60 -46 C ATOM 1400 CD2 TYR A 193 0.404 17.544 21.622 1.00 17.98 C ANISOU 1400 CD2 TYR A 193 2033 2379 2418 187 26 -4 C ATOM 1401 CE1 TYR A 193 -1.526 18.013 23.553 1.00 14.19 C ANISOU 1401 CE1 TYR A 193 1502 1951 1939 206 59 -52 C ATOM 1402 CE2 TYR A 193 -0.929 17.718 21.250 1.00 18.88 C ANISOU 1402 CE2 TYR A 193 2104 2539 2530 211 23 -7 C ATOM 1403 CZ TYR A 193 -1.887 17.921 22.222 1.00 16.92 C ANISOU 1403 CZ TYR A 193 1829 2317 2283 220 39 -31 C ATOM 1404 OH TYR A 193 -3.199 17.996 21.840 1.00 20.84 O ANISOU 1404 OH TYR A 193 2276 2867 2776 242 36 -36 O ATOM 0 H TYR A 193 2.281 19.466 21.663 1.00 10.77 H new ATOM 0 HA TYR A 193 2.488 19.433 24.244 1.00 9.49 H new ATOM 0 HB2 TYR A 193 2.758 17.107 22.633 1.00 10.71 H new ATOM 0 HB3 TYR A 193 2.374 17.093 24.145 1.00 10.71 H new ATOM 0 HD1 TYR A 193 0.071 17.998 24.798 1.00 14.69 H new ATOM 0 HD2 TYR A 193 1.038 17.358 20.968 1.00 17.98 H new ATOM 0 HE1 TYR A 193 -2.173 18.149 24.207 1.00 14.19 H new ATOM 0 HE2 TYR A 193 -1.171 17.697 20.352 1.00 18.88 H new ATOM 0 HH TYR A 193 -3.682 18.112 22.517 1.00 20.84 H new ATOM 1405 N TRP A 194 5.243 19.076 22.799 1.00 9.18 N ANISOU 1405 N TRP A 194 1054 1098 1337 156 34 13 N ATOM 1406 CA TRP A 194 6.683 18.925 22.985 1.00 9.26 C ANISOU 1406 CA TRP A 194 1090 1082 1347 131 32 18 C ATOM 1407 C TRP A 194 7.385 20.240 23.205 1.00 10.02 C ANISOU 1407 C TRP A 194 1209 1136 1460 140 36 19 C ATOM 1408 O TRP A 194 8.591 20.255 23.438 1.00 10.27 O ANISOU 1408 O TRP A 194 1259 1149 1492 118 34 20 O ATOM 1409 CB TRP A 194 7.299 18.185 21.773 1.00 9.16 C ANISOU 1409 CB TRP A 194 1077 1078 1325 120 19 38 C ATOM 1410 CG TRP A 194 6.922 16.739 21.669 1.00 9.12 C ANISOU 1410 CG TRP A 194 1058 1104 1304 102 15 32 C ATOM 1411 CD1 TRP A 194 7.671 15.671 22.085 1.00 10.54 C ANISOU 1411 CD1 TRP A 194 1248 1282 1476 76 13 28 C ATOM 1412 CD2 TRP A 194 5.725 16.194 21.099 1.00 8.67 C ANISOU 1412 CD2 TRP A 194 975 1081 1237 106 11 31 C ATOM 1413 NE1 TRP A 194 6.984 14.499 21.840 1.00 10.22 N ANISOU 1413 NE1 TRP A 194 1194 1265 1424 63 10 23 N ATOM 1414 CE2 TRP A 194 5.787 14.790 21.242 1.00 10.25 C ANISOU 1414 CE2 TRP A 194 1175 1294 1426 78 9 23 C ATOM 1415 CE3 TRP A 194 4.612 16.754 20.458 1.00 9.50 C ANISOU 1415 CE3 TRP A 194 1058 1208 1344 132 8 36 C ATOM 1416 CZ2 TRP A 194 4.786 13.932 20.734 1.00 10.47 C ANISOU 1416 CZ2 TRP A 194 1181 1355 1442 68 5 17 C ATOM 1417 CZ3 TRP A 194 3.609 15.914 19.981 1.00 11.36 C ANISOU 1417 CZ3 TRP A 194 1266 1484 1565 125 2 31 C ATOM 1418 CH2 TRP A 194 3.714 14.514 20.096 1.00 11.35 C ANISOU 1418 CH2 TRP A 194 1267 1495 1552 89 1 20 C ATOM 0 H TRP A 194 5.010 19.332 22.012 1.00 9.18 H new ATOM 0 HA TRP A 194 6.812 18.400 23.790 1.00 9.26 H new ATOM 0 HB2 TRP A 194 7.026 18.638 20.960 1.00 9.16 H new ATOM 0 HB3 TRP A 194 8.265 18.252 21.825 1.00 9.16 H new ATOM 0 HD1 TRP A 194 8.514 15.727 22.473 1.00 10.54 H new ATOM 0 HE1 TRP A 194 7.264 13.709 22.033 1.00 10.22 H new ATOM 0 HE3 TRP A 194 4.544 17.675 20.352 1.00 9.50 H new ATOM 0 HZ2 TRP A 194 4.849 13.009 20.827 1.00 10.47 H new ATOM 0 HZ3 TRP A 194 2.856 16.284 19.579 1.00 11.36 H new ATOM 0 HH2 TRP A 194 3.048 13.974 19.735 1.00 11.35 H new ATOM 1419 N MET A 195 6.673 21.362 23.154 1.00 10.04 N ANISOU 1419 N MET A 195 1213 1123 1481 172 41 17 N ATOM 1420 CA MET A 195 7.300 22.665 23.234 1.00 10.36 C ANISOU 1420 CA MET A 195 1281 1115 1543 180 44 20 C ATOM 1421 C MET A 195 7.710 23.039 24.630 1.00 10.01 C ANISOU 1421 C MET A 195 1251 1051 1500 164 56 -12 C ATOM 1422 O MET A 195 6.979 22.861 25.597 1.00 10.25 O ANISOU 1422 O MET A 195 1270 1100 1524 168 67 -40 O ATOM 1423 CB MET A 195 6.327 23.705 22.682 1.00 12.00 C ANISOU 1423 CB MET A 195 1484 1305 1769 225 44 30 C ATOM 1424 CG MET A 195 6.224 23.636 21.153 1.00 13.42 C ANISOU 1424 CG MET A 195 1657 1497 1945 238 28 70 C ATOM 1425 SD MET A 195 4.983 24.693 20.432 1.00 17.43 S ANISOU 1425 SD MET A 195 2155 1995 2472 297 22 90 S ATOM 1426 CE MET A 195 5.460 26.111 21.152 1.00 15.40 C ANISOU 1426 CE MET A 195 1936 1667 2247 307 33 78 C ATOM 0 H MET A 195 5.817 21.384 23.072 1.00 10.04 H new ATOM 0 HA MET A 195 8.115 22.634 22.710 1.00 10.36 H new ATOM 0 HB2 MET A 195 5.450 23.566 23.072 1.00 12.00 H new ATOM 0 HB3 MET A 195 6.617 24.592 22.947 1.00 12.00 H new ATOM 0 HG2 MET A 195 7.086 23.867 20.774 1.00 13.42 H new ATOM 0 HG3 MET A 195 6.038 22.719 20.896 1.00 13.42 H new ATOM 0 HE1 MET A 195 5.407 26.835 20.508 1.00 15.40 H new ATOM 0 HE2 MET A 195 4.878 26.304 21.904 1.00 15.40 H new ATOM 0 HE3 MET A 195 6.374 26.024 21.465 1.00 15.40 H new ATOM 1427 N ALA A 196 8.899 23.638 24.719 1.00 10.69 N ANISOU 1427 N ALA A 196 1364 1103 1596 143 56 -10 N ATOM 1428 CA ALA A 196 9.395 24.130 25.993 1.00 10.87 C ANISOU 1428 CA ALA A 196 1403 1106 1619 124 65 -42 C ATOM 1429 C ALA A 196 8.628 25.359 26.468 1.00 11.74 C ANISOU 1429 C ALA A 196 1525 1182 1752 154 78 -66 C ATOM 1430 O ALA A 196 8.152 26.170 25.638 1.00 11.35 O ANISOU 1430 O ALA A 196 1483 1104 1727 187 77 -48 O ATOM 1431 CB ALA A 196 10.854 24.489 25.839 1.00 11.98 C ANISOU 1431 CB ALA A 196 1565 1222 1764 92 60 -33 C ATOM 0 H ALA A 196 9.428 23.766 24.053 1.00 10.69 H new ATOM 0 HA ALA A 196 9.275 23.431 26.654 1.00 10.87 H new ATOM 0 HB1 ALA A 196 11.197 24.819 26.684 1.00 11.98 H new ATOM 0 HB2 ALA A 196 11.355 23.702 25.573 1.00 11.98 H new ATOM 0 HB3 ALA A 196 10.948 25.177 25.161 1.00 11.98 H new ATOM 1432 N PRO A 197 8.531 25.582 27.782 1.00 11.76 N ANISOU 1432 N PRO A 197 1534 1187 1750 145 91 -107 N ATOM 1433 CA PRO A 197 7.777 26.745 28.281 1.00 12.59 C ANISOU 1433 CA PRO A 197 1649 1258 1876 178 106 -138 C ATOM 1434 C PRO A 197 8.258 28.069 27.726 1.00 13.76 C ANISOU 1434 C PRO A 197 1832 1338 2060 188 104 -128 C ATOM 1435 O PRO A 197 7.429 28.945 27.420 1.00 13.30 O ANISOU 1435 O PRO A 197 1779 1246 2029 233 110 -130 O ATOM 1436 CB PRO A 197 7.951 26.698 29.808 1.00 15.40 C ANISOU 1436 CB PRO A 197 2009 1630 2213 153 119 -186 C ATOM 1437 CG PRO A 197 8.552 25.396 30.097 1.00 17.99 C ANISOU 1437 CG PRO A 197 2323 2006 2506 114 109 -173 C ATOM 1438 CD PRO A 197 9.020 24.712 28.879 1.00 13.32 C ANISOU 1438 CD PRO A 197 1724 1420 1915 108 92 -127 C ATOM 0 HA PRO A 197 6.851 26.692 27.998 1.00 12.59 H new ATOM 0 HB2 PRO A 197 8.520 27.421 30.116 1.00 15.40 H new ATOM 0 HB3 PRO A 197 7.098 26.796 30.259 1.00 15.40 H new ATOM 0 HG2 PRO A 197 9.298 25.515 30.705 1.00 17.99 H new ATOM 0 HG3 PRO A 197 7.903 24.836 30.550 1.00 17.99 H new ATOM 0 HD2 PRO A 197 9.986 24.629 28.865 1.00 13.32 H new ATOM 0 HD3 PRO A 197 8.657 23.815 28.812 1.00 13.32 H new ATOM 1439 N GLU A 198 9.571 28.224 27.543 1.00 11.20 N ANISOU 1439 N GLU A 198 1529 991 1735 147 97 -115 N ATOM 1440 CA GLU A 198 10.097 29.500 27.039 1.00 12.30 C ANISOU 1440 CA GLU A 198 1704 1061 1907 147 97 -104 C ATOM 1441 C GLU A 198 9.771 29.744 25.564 1.00 12.35 C ANISOU 1441 C GLU A 198 1713 1051 1930 176 87 -52 C ATOM 1442 O GLU A 198 9.761 30.908 25.121 1.00 13.99 O ANISOU 1442 O GLU A 198 1951 1196 2170 192 88 -39 O ATOM 1443 CB GLU A 198 11.618 29.607 27.302 1.00 13.01 C ANISOU 1443 CB GLU A 198 1813 1140 1990 88 93 -107 C ATOM 1444 CG GLU A 198 12.474 28.619 26.521 1.00 13.36 C ANISOU 1444 CG GLU A 198 1839 1225 2012 59 80 -68 C ATOM 1445 CD GLU A 198 12.659 27.231 27.100 1.00 13.78 C ANISOU 1445 CD GLU A 198 1862 1344 2031 42 74 -78 C ATOM 1446 OE1 GLU A 198 11.942 26.838 28.047 1.00 13.38 O ANISOU 1446 OE1 GLU A 198 1800 1318 1967 53 81 -107 O ATOM 1447 OE2 GLU A 198 13.557 26.534 26.585 1.00 11.98 O ANISOU 1447 OE2 GLU A 198 1623 1141 1788 18 64 -54 O ATOM 0 H GLU A 198 10.163 27.620 27.700 1.00 11.20 H new ATOM 0 HA GLU A 198 9.645 30.202 27.534 1.00 12.30 H new ATOM 0 HB2 GLU A 198 11.908 30.507 27.086 1.00 13.01 H new ATOM 0 HB3 GLU A 198 11.779 29.476 28.250 1.00 13.01 H new ATOM 0 HG2 GLU A 198 12.087 28.524 25.637 1.00 13.36 H new ATOM 0 HG3 GLU A 198 13.353 29.013 26.405 1.00 13.36 H new ATOM 1448 N VAL A 199 9.493 28.674 24.793 1.00 11.43 N ANISOU 1448 N VAL A 199 1564 986 1791 182 76 -21 N ATOM 1449 CA VAL A 199 9.084 28.862 23.405 1.00 11.55 C ANISOU 1449 CA VAL A 199 1578 996 1815 211 65 26 C ATOM 1450 C VAL A 199 7.594 29.259 23.408 1.00 13.28 C ANISOU 1450 C VAL A 199 1783 1212 2050 271 67 19 C ATOM 1451 O VAL A 199 7.175 30.167 22.688 1.00 12.79 O ANISOU 1451 O VAL A 199 1736 1110 2013 308 62 46 O ATOM 1452 CB VAL A 199 9.308 27.595 22.574 1.00 12.78 C ANISOU 1452 CB VAL A 199 1705 1211 1941 195 53 55 C ATOM 1453 CG1 VAL A 199 8.841 27.805 21.129 1.00 14.13 C ANISOU 1453 CG1 VAL A 199 1873 1383 2114 224 41 103 C ATOM 1454 CG2 VAL A 199 10.779 27.186 22.580 1.00 12.27 C ANISOU 1454 CG2 VAL A 199 1649 1153 1862 142 51 59 C ATOM 0 H VAL A 199 9.536 27.856 25.055 1.00 11.43 H new ATOM 0 HA VAL A 199 9.622 29.558 22.996 1.00 11.55 H new ATOM 0 HB VAL A 199 8.785 26.885 22.978 1.00 12.78 H new ATOM 0 HG11 VAL A 199 8.991 26.993 20.619 1.00 14.13 H new ATOM 0 HG12 VAL A 199 7.895 28.021 21.122 1.00 14.13 H new ATOM 0 HG13 VAL A 199 9.341 28.534 20.730 1.00 14.13 H new ATOM 0 HG21 VAL A 199 10.894 26.383 22.048 1.00 12.27 H new ATOM 0 HG22 VAL A 199 11.316 27.902 22.205 1.00 12.27 H new ATOM 0 HG23 VAL A 199 11.063 27.013 23.491 1.00 12.27 H new ATOM 1455 N ILE A 200 6.784 28.579 24.233 1.00 12.48 N ANISOU 1455 N ILE A 200 1651 1156 1934 283 75 -15 N ATOM 1456 CA ILE A 200 5.357 28.874 24.357 1.00 12.73 C ANISOU 1456 CA ILE A 200 1661 1197 1978 339 80 -29 C ATOM 1457 C ILE A 200 5.129 30.316 24.744 1.00 16.47 C ANISOU 1457 C ILE A 200 2166 1602 2491 373 90 -49 C ATOM 1458 O ILE A 200 4.206 30.954 24.232 1.00 16.05 O ANISOU 1458 O ILE A 200 2107 1532 2461 430 86 -35 O ATOM 1459 CB ILE A 200 4.727 27.927 25.390 1.00 13.37 C ANISOU 1459 CB ILE A 200 1708 1338 2034 331 91 -69 C ATOM 1460 CG1 ILE A 200 4.816 26.489 24.878 1.00 12.53 C ANISOU 1460 CG1 ILE A 200 1574 1293 1895 302 80 -46 C ATOM 1461 CG2 ILE A 200 3.252 28.303 25.652 1.00 14.63 C ANISOU 1461 CG2 ILE A 200 1839 1514 2206 387 100 -91 C ATOM 1462 CD1 ILE A 200 4.320 25.452 25.885 1.00 15.86 C ANISOU 1462 CD1 ILE A 200 1967 1771 2289 283 90 -78 C ATOM 0 H ILE A 200 7.052 27.934 24.735 1.00 12.48 H new ATOM 0 HA ILE A 200 4.934 28.734 23.496 1.00 12.73 H new ATOM 0 HB ILE A 200 5.213 28.008 26.226 1.00 13.37 H new ATOM 0 HG12 ILE A 200 4.297 26.411 24.062 1.00 12.53 H new ATOM 0 HG13 ILE A 200 5.737 26.291 24.648 1.00 12.53 H new ATOM 0 HG21 ILE A 200 2.874 27.694 26.306 1.00 14.63 H new ATOM 0 HG22 ILE A 200 3.204 29.211 25.991 1.00 14.63 H new ATOM 0 HG23 ILE A 200 2.750 28.241 24.824 1.00 14.63 H new ATOM 0 HD11 ILE A 200 4.402 24.564 25.503 1.00 15.86 H new ATOM 0 HD12 ILE A 200 4.853 25.506 26.694 1.00 15.86 H new ATOM 0 HD13 ILE A 200 3.390 25.627 26.099 1.00 15.86 H new ATOM 1463 N ALA A 201 5.999 30.867 25.606 1.00 14.66 N ANISOU 1463 N ALA A 201 1970 1330 2270 341 101 -80 N ATOM 1464 CA ALA A 201 5.900 32.262 26.070 1.00 15.83 C ANISOU 1464 CA ALA A 201 2155 1402 2457 366 113 -107 C ATOM 1465 C ALA A 201 5.945 33.263 24.929 1.00 20.10 C ANISOU 1465 C ALA A 201 2727 1877 3032 395 101 -59 C ATOM 1466 O ALA A 201 5.415 34.366 25.074 1.00 20.71 O ANISOU 1466 O ALA A 201 2827 1894 3147 440 107 -73 O ATOM 1467 CB ALA A 201 7.015 32.581 27.064 1.00 17.38 C ANISOU 1467 CB ALA A 201 2384 1569 2651 312 124 -146 C ATOM 0 H ALA A 201 6.666 30.439 25.939 1.00 14.66 H new ATOM 0 HA ALA A 201 5.036 32.344 26.504 1.00 15.83 H new ATOM 0 HB1 ALA A 201 6.933 33.502 27.358 1.00 17.38 H new ATOM 0 HB2 ALA A 201 6.944 31.990 27.830 1.00 17.38 H new ATOM 0 HB3 ALA A 201 7.876 32.454 26.636 1.00 17.38 H new ATOM 1468 N CYS A 202 6.582 32.909 23.802 1.00 16.72 N ANISOU 1468 N CYS A 202 2301 1459 2591 370 84 -3 N ATOM 1469 CA CYS A 202 6.711 33.829 22.663 1.00 17.67 C ANISOU 1469 CA CYS A 202 2455 1522 2739 389 72 51 C ATOM 1470 C CYS A 202 5.405 34.081 21.937 1.00 24.04 C ANISOU 1470 C CYS A 202 3241 2334 3559 463 61 80 C ATOM 1471 O CYS A 202 5.345 35.020 21.146 1.00 26.69 O ANISOU 1471 O CYS A 202 3607 2612 3922 492 51 122 O ATOM 1472 CB CYS A 202 7.776 33.316 21.703 1.00 15.98 C ANISOU 1472 CB CYS A 202 2243 1328 2499 338 60 100 C ATOM 1473 SG CYS A 202 9.426 33.240 22.431 1.00 17.68 S ANISOU 1473 SG CYS A 202 2483 1530 2704 254 71 74 S ATOM 0 H CYS A 202 6.946 32.140 23.679 1.00 16.72 H new ATOM 0 HA CYS A 202 6.981 34.688 23.024 1.00 17.67 H new ATOM 0 HB2 CYS A 202 7.525 32.431 21.396 1.00 15.98 H new ATOM 0 HB3 CYS A 202 7.801 33.891 20.922 1.00 15.98 H new ATOM 0 HG CYS A 202 10.112 32.491 21.791 1.00 17.68 H new ATOM 1474 N ASP A 203 4.376 33.256 22.153 1.00 20.19 N ANISOU 1474 N ASP A 203 2702 1918 3052 493 60 61 N ATOM 1475 CA ASP A 203 3.085 33.482 21.508 1.00 20.72 C ANISOU 1475 CA ASP A 203 2741 2000 3130 565 48 84 C ATOM 1476 C ASP A 203 2.412 34.753 22.039 1.00 29.59 C ANISOU 1476 C ASP A 203 3887 3055 4302 627 58 58 C ATOM 1477 O ASP A 203 1.954 35.562 21.237 1.00 34.30 O ANISOU 1477 O ASP A 203 4498 3610 4926 680 43 99 O ATOM 1478 CB ASP A 203 2.148 32.282 21.723 1.00 21.24 C ANISOU 1478 CB ASP A 203 2744 2163 3164 575 48 63 C ATOM 1479 CG ASP A 203 0.843 32.320 20.950 1.00 30.10 C ANISOU 1479 CG ASP A 203 3826 3321 4289 641 32 89 C ATOM 1480 OD1 ASP A 203 0.786 33.021 19.917 1.00 31.17 O ANISOU 1480 OD1 ASP A 203 3981 3422 4441 673 13 142 O ATOM 1481 OD2 ASP A 203 -0.107 31.604 21.354 1.00 34.80 O ANISOU 1481 OD2 ASP A 203 4369 3986 4867 657 37 60 O ATOM 0 H ASP A 203 4.407 32.566 22.666 1.00 20.19 H new ATOM 0 HA ASP A 203 3.253 33.591 20.559 1.00 20.72 H new ATOM 0 HB2 ASP A 203 2.625 31.473 21.481 1.00 21.24 H new ATOM 0 HB3 ASP A 203 1.943 32.218 22.669 1.00 21.24 H new ATOM 1482 N GLU A 204 2.379 34.936 23.372 1.00 26.66 N ANISOU 1482 N GLU A 204 3520 2670 3940 622 82 -10 N ATOM 1483 CA GLU A 204 1.671 36.055 24.027 1.00 28.82 C ANISOU 1483 CA GLU A 204 3809 2883 4257 683 96 -50 C ATOM 1484 C GLU A 204 2.575 37.169 24.582 1.00 33.90 C ANISOU 1484 C GLU A 204 4520 3426 4936 659 109 -75 C ATOM 1485 O GLU A 204 2.073 38.264 24.863 1.00 36.05 O ANISOU 1485 O GLU A 204 4818 3627 5252 715 117 -97 O ATOM 1486 CB GLU A 204 0.751 35.515 25.130 1.00 30.55 C ANISOU 1486 CB GLU A 204 3979 3169 4460 703 116 -116 C ATOM 0 H GLU A 204 2.771 34.408 23.926 1.00 26.66 H new ATOM 0 HA GLU A 204 1.155 36.480 23.324 1.00 28.82 H new ATOM 1487 N ASN A 205 3.880 36.904 24.755 1.00 27.35 N ANISOU 1487 N ASN A 205 3718 2587 4086 579 111 -74 N ATOM 1488 CA ASN A 205 4.831 37.890 25.246 1.00 26.79 C ANISOU 1488 CA ASN A 205 3709 2427 4044 543 122 -97 C ATOM 1489 C ASN A 205 5.796 38.286 24.112 1.00 30.26 C ANISOU 1489 C ASN A 205 4188 2816 4492 507 105 -28 C ATOM 1490 O ASN A 205 6.710 37.513 23.811 1.00 27.52 O ANISOU 1490 O ASN A 205 3832 2516 4110 443 99 -5 O ATOM 1491 CB ASN A 205 5.560 37.396 26.507 1.00 28.62 C ANISOU 1491 CB ASN A 205 3937 2690 4247 478 140 -160 C ATOM 1492 CG ASN A 205 6.571 38.359 27.104 1.00 45.05 C ANISOU 1492 CG ASN A 205 6077 4689 6352 432 151 -193 C ATOM 1493 OD1 ASN A 205 6.768 39.490 26.642 1.00 36.59 O ANISOU 1493 OD1 ASN A 205 5055 3522 5324 446 148 -172 O ATOM 1494 ND2 ASN A 205 7.249 37.924 28.154 1.00 39.50 N ANISOU 1494 ND2 ASN A 205 5370 4020 5620 374 162 -243 N ATOM 0 H ASN A 205 4.232 36.137 24.586 1.00 27.35 H new ATOM 0 HA ASN A 205 4.351 38.687 25.519 1.00 26.79 H new ATOM 0 HB2 ASN A 205 4.897 37.189 27.184 1.00 28.62 H new ATOM 0 HB3 ASN A 205 6.015 36.567 26.293 1.00 28.62 H new ATOM 0 HD21 ASN A 205 7.837 38.430 28.526 1.00 39.50 H new ATOM 0 HD22 ASN A 205 7.102 37.136 28.464 1.00 39.50 H new ATOM 1495 N PRO A 206 5.643 39.497 23.491 1.00 28.69 N ANISOU 1495 N PRO A 206 4037 2525 4340 545 98 7 N ATOM 1496 CA PRO A 206 6.554 39.886 22.393 1.00 27.83 C ANISOU 1496 CA PRO A 206 3968 2372 4236 505 84 78 C ATOM 1497 C PRO A 206 8.019 40.076 22.789 1.00 28.49 C ANISOU 1497 C PRO A 206 4088 2423 4313 414 94 62 C ATOM 1498 O PRO A 206 8.877 40.096 21.915 1.00 27.00 O ANISOU 1498 O PRO A 206 3918 2227 4115 367 84 118 O ATOM 1499 CB PRO A 206 5.929 41.183 21.850 1.00 31.28 C ANISOU 1499 CB PRO A 206 4449 2710 4727 573 76 111 C ATOM 1500 CG PRO A 206 5.164 41.728 22.976 1.00 36.54 C ANISOU 1500 CG PRO A 206 5118 3339 5427 624 95 36 C ATOM 1501 CD PRO A 206 4.621 40.540 23.727 1.00 30.84 C ANISOU 1501 CD PRO A 206 4327 2728 4662 628 104 -15 C ATOM 0 HA PRO A 206 6.619 39.174 21.737 1.00 27.83 H new ATOM 0 HB2 PRO A 206 6.611 41.806 21.553 1.00 31.28 H new ATOM 0 HB3 PRO A 206 5.356 41.006 21.088 1.00 31.28 H new ATOM 0 HG2 PRO A 206 5.728 42.271 23.548 1.00 36.54 H new ATOM 0 HG3 PRO A 206 4.445 42.298 22.663 1.00 36.54 H new ATOM 0 HD2 PRO A 206 4.515 40.731 24.672 1.00 30.84 H new ATOM 0 HD3 PRO A 206 3.751 40.272 23.393 1.00 30.84 H new ATOM 1502 N ASP A 207 8.312 40.159 24.089 1.00 26.96 N ANISOU 1502 N ASP A 207 3901 2221 4122 386 113 -14 N ATOM 1503 CA ASP A 207 9.683 40.340 24.569 1.00 27.15 C ANISOU 1503 CA ASP A 207 3955 2222 4140 298 122 -37 C ATOM 1504 C ASP A 207 10.362 39.046 24.997 1.00 28.82 C ANISOU 1504 C ASP A 207 4120 2534 4296 240 122 -55 C ATOM 1505 O ASP A 207 11.552 39.055 25.315 1.00 28.13 O ANISOU 1505 O ASP A 207 4047 2445 4197 167 125 -67 O ATOM 1506 CB ASP A 207 9.735 41.378 25.691 1.00 29.69 C ANISOU 1506 CB ASP A 207 4320 2462 4498 295 140 -108 C ATOM 1507 CG ASP A 207 9.300 42.758 25.235 1.00 40.05 C ANISOU 1507 CG ASP A 207 5691 3655 5871 344 140 -87 C ATOM 1508 OD1 ASP A 207 9.774 43.208 24.163 1.00 40.39 O ANISOU 1508 OD1 ASP A 207 5767 3651 5928 325 128 -16 O ATOM 1509 OD2 ASP A 207 8.472 43.379 25.933 1.00 46.95 O ANISOU 1509 OD2 ASP A 207 6577 4483 6778 402 152 -140 O ATOM 0 H ASP A 207 7.724 40.112 24.714 1.00 26.96 H new ATOM 0 HA ASP A 207 10.189 40.666 23.808 1.00 27.15 H new ATOM 0 HB2 ASP A 207 9.165 41.088 26.421 1.00 29.69 H new ATOM 0 HB3 ASP A 207 10.639 41.427 26.039 1.00 29.69 H new ATOM 1510 N ALA A 208 9.619 37.928 24.986 1.00 24.22 N ANISOU 1510 N ALA A 208 3481 2041 3681 273 117 -55 N ATOM 1511 CA ALA A 208 10.171 36.643 25.386 1.00 21.64 C ANISOU 1511 CA ALA A 208 3112 1805 3304 226 115 -69 C ATOM 1512 C ALA A 208 11.108 36.091 24.315 1.00 22.26 C ANISOU 1512 C ALA A 208 3183 1916 3360 181 102 -9 C ATOM 1513 O ALA A 208 10.914 36.372 23.122 1.00 20.70 O ANISOU 1513 O ALA A 208 2994 1698 3172 203 91 51 O ATOM 1514 CB ALA A 208 9.051 35.656 25.648 1.00 21.36 C ANISOU 1514 CB ALA A 208 3024 1847 3245 272 115 -84 C ATOM 0 H ALA A 208 8.793 37.902 24.748 1.00 24.22 H new ATOM 0 HA ALA A 208 10.682 36.774 26.200 1.00 21.64 H new ATOM 0 HB1 ALA A 208 9.427 34.802 25.914 1.00 21.36 H new ATOM 0 HB2 ALA A 208 8.482 35.993 26.357 1.00 21.36 H new ATOM 0 HB3 ALA A 208 8.526 35.540 24.841 1.00 21.36 H new ATOM 1515 N THR A 209 12.177 35.400 24.745 1.00 17.76 N ANISOU 1515 N THR A 209 2598 1392 2759 118 102 -24 N ATOM 1516 CA THR A 209 13.126 34.759 23.821 1.00 16.93 C ANISOU 1516 CA THR A 209 2478 1328 2628 75 92 24 C ATOM 1517 C THR A 209 13.564 33.406 24.367 1.00 17.95 C ANISOU 1517 C THR A 209 2562 1542 2714 47 89 2 C ATOM 1518 O THR A 209 13.344 33.080 25.548 1.00 17.89 O ANISOU 1518 O THR A 209 2543 1558 2697 46 95 -50 O ATOM 1519 CB THR A 209 14.393 35.613 23.578 1.00 21.27 C ANISOU 1519 CB THR A 209 3065 1825 3192 12 95 38 C ATOM 1520 OG1 THR A 209 15.083 35.717 24.821 1.00 22.38 O ANISOU 1520 OG1 THR A 209 3211 1965 3328 -33 103 -20 O ATOM 1521 CG2 THR A 209 14.096 36.974 22.984 1.00 19.06 C ANISOU 1521 CG2 THR A 209 2837 1450 2954 32 96 68 C ATOM 0 H THR A 209 12.370 35.291 25.576 1.00 17.76 H new ATOM 0 HA THR A 209 12.657 34.658 22.978 1.00 16.93 H new ATOM 0 HB THR A 209 14.947 35.175 22.913 1.00 21.27 H new ATOM 0 HG1 THR A 209 15.500 36.446 24.850 1.00 22.38 H new ATOM 0 HG21 THR A 209 14.926 37.459 22.856 1.00 19.06 H new ATOM 0 HG22 THR A 209 13.651 36.864 22.129 1.00 19.06 H new ATOM 0 HG23 THR A 209 13.521 37.472 23.586 1.00 19.06 H new ATOM 1522 N TYR A 210 14.189 32.608 23.512 1.00 14.82 N ANISOU 1522 N TYR A 210 2143 1195 2293 23 80 41 N ATOM 1523 CA TYR A 210 14.674 31.310 23.921 1.00 13.73 C ANISOU 1523 CA TYR A 210 1966 1133 2119 0 75 25 C ATOM 1524 C TYR A 210 15.953 30.995 23.207 1.00 17.20 C ANISOU 1524 C TYR A 210 2396 1596 2541 -48 70 55 C ATOM 1525 O TYR A 210 16.443 31.811 22.414 1.00 17.05 O ANISOU 1525 O TYR A 210 2403 1540 2537 -67 72 88 O ATOM 1526 CB TYR A 210 13.597 30.235 23.713 1.00 13.37 C ANISOU 1526 CB TYR A 210 1886 1141 2055 45 70 31 C ATOM 1527 CG TYR A 210 13.160 30.095 22.283 1.00 12.55 C ANISOU 1527 CG TYR A 210 1775 1046 1949 72 61 83 C ATOM 1528 CD1 TYR A 210 13.800 29.204 21.421 1.00 12.89 C ANISOU 1528 CD1 TYR A 210 1795 1137 1965 51 54 113 C ATOM 1529 CD2 TYR A 210 12.071 30.806 21.799 1.00 12.84 C ANISOU 1529 CD2 TYR A 210 1824 1047 2008 122 60 101 C ATOM 1530 CE1 TYR A 210 13.397 29.071 20.094 1.00 12.77 C ANISOU 1530 CE1 TYR A 210 1773 1136 1942 73 46 158 C ATOM 1531 CE2 TYR A 210 11.640 30.664 20.480 1.00 13.08 C ANISOU 1531 CE2 TYR A 210 1845 1093 2031 147 49 151 C ATOM 1532 CZ TYR A 210 12.300 29.786 19.638 1.00 14.42 C ANISOU 1532 CZ TYR A 210 1994 1314 2170 120 43 178 C ATOM 1533 OH TYR A 210 11.886 29.645 18.342 1.00 14.05 O ANISOU 1533 OH TYR A 210 1939 1289 2112 141 32 224 O ATOM 0 H TYR A 210 14.340 32.805 22.689 1.00 14.82 H new ATOM 0 HA TYR A 210 14.869 31.322 24.871 1.00 13.73 H new ATOM 0 HB2 TYR A 210 13.937 29.382 24.025 1.00 13.37 H new ATOM 0 HB3 TYR A 210 12.825 30.450 24.260 1.00 13.37 H new ATOM 0 HD1 TYR A 210 14.508 28.690 21.738 1.00 12.89 H new ATOM 0 HD2 TYR A 210 11.619 31.389 22.366 1.00 12.84 H new ATOM 0 HE1 TYR A 210 13.860 28.507 19.518 1.00 12.77 H new ATOM 0 HE2 TYR A 210 10.915 31.156 20.169 1.00 13.08 H new ATOM 0 HH TYR A 210 11.082 29.878 18.278 1.00 14.05 H new ATOM 1534 N ASP A 211 16.498 29.831 23.462 1.00 16.08 N ANISOU 1534 N ASP A 211 2221 1519 2370 -66 65 46 N ATOM 1535 CA ASP A 211 17.760 29.393 22.893 1.00 15.45 C ANISOU 1535 CA ASP A 211 2124 1475 2273 -108 61 66 C ATOM 1536 C ASP A 211 17.741 27.892 22.554 1.00 16.42 C ANISOU 1536 C ASP A 211 2207 1666 2366 -93 53 75 C ATOM 1537 O ASP A 211 16.667 27.297 22.492 1.00 14.66 O ANISOU 1537 O ASP A 211 1974 1459 2139 -52 50 75 O ATOM 1538 CB ASP A 211 18.914 29.811 23.829 1.00 17.95 C ANISOU 1538 CB ASP A 211 2446 1785 2589 -162 64 35 C ATOM 1539 CG ASP A 211 18.892 29.151 25.194 1.00 22.44 C ANISOU 1539 CG ASP A 211 2999 2386 3142 -163 59 -10 C ATOM 1540 OD1 ASP A 211 18.230 28.109 25.340 1.00 20.74 O ANISOU 1540 OD1 ASP A 211 2761 2209 2911 -129 55 -12 O ATOM 1541 OD2 ASP A 211 19.549 29.671 26.116 1.00 23.79 O ANISOU 1541 OD2 ASP A 211 3178 2545 3314 -200 61 -43 O ATOM 0 H ASP A 211 16.139 29.251 23.986 1.00 16.08 H new ATOM 0 HA ASP A 211 17.907 29.834 22.042 1.00 15.45 H new ATOM 0 HB2 ASP A 211 19.757 29.603 23.396 1.00 17.95 H new ATOM 0 HB3 ASP A 211 18.886 30.773 23.948 1.00 17.95 H new ATOM 1542 N PHE A 212 18.912 27.250 22.364 1.00 13.47 N ANISOU 1542 N PHE A 212 1809 1335 1974 -126 50 79 N ATOM 1543 CA PHE A 212 18.984 25.849 21.974 1.00 13.50 C ANISOU 1543 CA PHE A 212 1779 1397 1954 -111 43 86 C ATOM 1544 C PHE A 212 18.494 24.896 23.064 1.00 11.83 C ANISOU 1544 C PHE A 212 1553 1210 1732 -93 36 56 C ATOM 1545 O PHE A 212 18.231 23.720 22.788 1.00 12.25 O ANISOU 1545 O PHE A 212 1585 1300 1770 -73 30 61 O ATOM 1546 CB PHE A 212 20.406 25.455 21.558 1.00 15.02 C ANISOU 1546 CB PHE A 212 1948 1628 2132 -146 42 94 C ATOM 1547 CG PHE A 212 21.383 25.473 22.699 1.00 14.56 C ANISOU 1547 CG PHE A 212 1880 1582 2071 -180 38 64 C ATOM 1548 CD1 PHE A 212 21.549 24.360 23.511 1.00 16.59 C ANISOU 1548 CD1 PHE A 212 2113 1878 2312 -170 27 44 C ATOM 1549 CD2 PHE A 212 22.127 26.611 22.976 1.00 18.54 C ANISOU 1549 CD2 PHE A 212 2399 2057 2586 -224 43 58 C ATOM 1550 CE1 PHE A 212 22.436 24.382 24.586 1.00 20.08 C ANISOU 1550 CE1 PHE A 212 2545 2338 2748 -199 20 19 C ATOM 1551 CE2 PHE A 212 23.008 26.633 24.059 1.00 22.14 C ANISOU 1551 CE2 PHE A 212 2845 2532 3036 -257 37 27 C ATOM 1552 CZ PHE A 212 23.139 25.521 24.866 1.00 20.35 C ANISOU 1552 CZ PHE A 212 2592 2350 2791 -243 24 9 C ATOM 0 H PHE A 212 19.680 27.625 22.461 1.00 13.47 H new ATOM 0 HA PHE A 212 18.387 25.762 21.214 1.00 13.50 H new ATOM 0 HB2 PHE A 212 20.388 24.567 21.169 1.00 15.02 H new ATOM 0 HB3 PHE A 212 20.714 26.061 20.866 1.00 15.02 H new ATOM 0 HD1 PHE A 212 21.061 23.588 23.335 1.00 16.59 H new ATOM 0 HD2 PHE A 212 22.038 27.364 22.437 1.00 18.54 H new ATOM 0 HE1 PHE A 212 22.550 23.623 25.112 1.00 20.08 H new ATOM 0 HE2 PHE A 212 23.507 27.397 24.237 1.00 22.14 H new ATOM 0 HZ PHE A 212 23.707 25.546 25.602 1.00 20.35 H new ATOM 1553 N LYS A 213 18.418 25.382 24.328 1.00 11.70 N ANISOU 1553 N LYS A 213 1550 1174 1721 -103 37 24 N ATOM 1554 CA LYS A 213 17.964 24.509 25.423 1.00 10.86 C ANISOU 1554 CA LYS A 213 1431 1094 1599 -90 32 -2 C ATOM 1555 C LYS A 213 16.556 23.995 25.184 1.00 10.50 C ANISOU 1555 C LYS A 213 1384 1053 1554 -49 34 4 C ATOM 1556 O LYS A 213 16.188 22.962 25.739 1.00 9.80 O ANISOU 1556 O LYS A 213 1280 995 1449 -39 29 -6 O ATOM 1557 CB LYS A 213 17.962 25.258 26.778 1.00 14.09 C ANISOU 1557 CB LYS A 213 1858 1483 2011 -108 36 -39 C ATOM 1558 CG LYS A 213 19.268 25.881 27.269 1.00 19.48 C ANISOU 1558 CG LYS A 213 2545 2164 2694 -155 33 -54 C ATOM 1559 CD LYS A 213 20.219 24.833 27.720 1.00 18.43 C ANISOU 1559 CD LYS A 213 2382 2084 2536 -172 19 -56 C ATOM 1560 CE LYS A 213 21.469 25.462 28.350 1.00 15.20 C ANISOU 1560 CE LYS A 213 1971 1680 2123 -221 15 -76 C ATOM 1561 NZ LYS A 213 21.197 26.239 29.610 1.00 16.97 N ANISOU 1561 NZ LYS A 213 2217 1885 2345 -238 18 -117 N ATOM 0 H LYS A 213 18.619 26.186 24.559 1.00 11.70 H new ATOM 0 HA LYS A 213 18.588 23.767 25.449 1.00 10.86 H new ATOM 0 HB2 LYS A 213 17.300 25.965 26.723 1.00 14.09 H new ATOM 0 HB3 LYS A 213 17.658 24.637 27.458 1.00 14.09 H new ATOM 0 HG2 LYS A 213 19.670 26.403 26.557 1.00 19.48 H new ATOM 0 HG3 LYS A 213 19.084 26.492 27.999 1.00 19.48 H new ATOM 0 HD2 LYS A 213 19.785 24.253 28.364 1.00 18.43 H new ATOM 0 HD3 LYS A 213 20.476 24.278 26.967 1.00 18.43 H new ATOM 0 HE2 LYS A 213 22.109 24.760 28.546 1.00 15.20 H new ATOM 0 HE3 LYS A 213 21.885 26.051 27.701 1.00 15.20 H new ATOM 0 HZ1 LYS A 213 21.968 26.477 29.985 1.00 16.97 H new ATOM 0 HZ2 LYS A 213 20.726 26.968 29.414 1.00 16.97 H new ATOM 0 HZ3 LYS A 213 20.736 25.732 30.178 1.00 16.97 H new ATOM 1562 N SER A 214 15.772 24.691 24.352 1.00 9.65 N ANISOU 1562 N SER A 214 1288 915 1462 -25 40 21 N ATOM 1563 CA SER A 214 14.421 24.255 24.035 1.00 9.07 C ANISOU 1563 CA SER A 214 1207 852 1388 14 40 27 C ATOM 1564 C SER A 214 14.432 22.832 23.450 1.00 9.45 C ANISOU 1564 C SER A 214 1229 946 1416 18 32 41 C ATOM 1565 O SER A 214 13.532 22.034 23.765 1.00 9.51 O ANISOU 1565 O SER A 214 1224 975 1414 35 31 32 O ATOM 1566 CB SER A 214 13.776 25.238 23.074 1.00 11.51 C ANISOU 1566 CB SER A 214 1531 1126 1717 38 44 50 C ATOM 1567 OG SER A 214 14.545 25.390 21.892 1.00 12.96 O ANISOU 1567 OG SER A 214 1715 1309 1898 24 40 84 O ATOM 0 H SER A 214 16.011 25.420 23.963 1.00 9.65 H new ATOM 0 HA SER A 214 13.897 24.232 24.851 1.00 9.07 H new ATOM 0 HB2 SER A 214 12.885 24.931 22.844 1.00 11.51 H new ATOM 0 HB3 SER A 214 13.676 26.099 23.509 1.00 11.51 H new ATOM 0 HG SER A 214 15.176 25.926 22.035 1.00 12.96 H new ATOM 1568 N ASP A 215 15.458 22.455 22.655 1.00 8.23 N ANISOU 1568 N ASP A 215 1066 808 1254 1 27 59 N ATOM 1569 CA ASP A 215 15.530 21.111 22.116 1.00 8.11 C ANISOU 1569 CA ASP A 215 1030 831 1222 7 21 66 C ATOM 1570 C ASP A 215 15.698 20.053 23.194 1.00 8.65 C ANISOU 1570 C ASP A 215 1088 920 1279 1 15 46 C ATOM 1571 O ASP A 215 15.247 18.928 23.015 1.00 8.82 O ANISOU 1571 O ASP A 215 1099 963 1291 12 10 47 O ATOM 1572 CB ASP A 215 16.696 20.972 21.137 1.00 9.42 C ANISOU 1572 CB ASP A 215 1186 1012 1381 -9 20 83 C ATOM 1573 CG ASP A 215 16.523 21.544 19.729 1.00 10.88 C ANISOU 1573 CG ASP A 215 1374 1193 1566 -3 23 112 C ATOM 1574 OD1 ASP A 215 15.349 21.751 19.308 1.00 10.48 O ANISOU 1574 OD1 ASP A 215 1328 1135 1517 22 22 122 O ATOM 1575 OD2 ASP A 215 17.561 21.711 19.033 1.00 10.68 O ANISOU 1575 OD2 ASP A 215 1344 1179 1535 -23 26 126 O ATOM 0 H ASP A 215 16.109 22.969 22.427 1.00 8.23 H new ATOM 0 HA ASP A 215 14.684 20.967 21.663 1.00 8.11 H new ATOM 0 HB2 ASP A 215 17.472 21.396 21.537 1.00 9.42 H new ATOM 0 HB3 ASP A 215 16.901 20.028 21.051 1.00 9.42 H new ATOM 1576 N LEU A 216 16.361 20.391 24.308 1.00 8.23 N ANISOU 1576 N LEU A 216 1041 861 1225 -19 14 29 N ATOM 1577 CA LEU A 216 16.557 19.427 25.404 1.00 8.60 C ANISOU 1577 CA LEU A 216 1081 930 1258 -26 6 15 C ATOM 1578 C LEU A 216 15.252 19.195 26.156 1.00 9.07 C ANISOU 1578 C LEU A 216 1144 989 1311 -13 11 3 C ATOM 1579 O LEU A 216 15.005 18.060 26.584 1.00 9.03 O ANISOU 1579 O LEU A 216 1133 1004 1293 -11 5 3 O ATOM 1580 CB LEU A 216 17.659 19.875 26.377 1.00 9.46 C ANISOU 1580 CB LEU A 216 1191 1041 1362 -53 2 1 C ATOM 1581 CG LEU A 216 19.111 19.771 25.877 1.00 13.93 C ANISOU 1581 CG LEU A 216 1743 1623 1928 -70 -5 11 C ATOM 1582 CD1 LEU A 216 19.374 18.502 25.041 1.00 15.93 C ANISOU 1582 CD1 LEU A 216 1976 1900 2175 -53 -12 26 C ATOM 1583 CD2 LEU A 216 19.571 20.965 25.159 1.00 17.16 C ANISOU 1583 CD2 LEU A 216 2158 2011 2350 -87 3 17 C ATOM 0 H LEU A 216 16.703 21.167 24.449 1.00 8.23 H new ATOM 0 HA LEU A 216 16.843 18.592 25.002 1.00 8.60 H new ATOM 0 HB2 LEU A 216 17.489 20.798 26.622 1.00 9.46 H new ATOM 0 HB3 LEU A 216 17.580 19.347 27.187 1.00 9.46 H new ATOM 0 HG LEU A 216 19.638 19.704 26.688 1.00 13.93 H new ATOM 0 HD11 LEU A 216 20.301 18.490 24.754 1.00 15.93 H new ATOM 0 HD12 LEU A 216 19.192 17.716 25.580 1.00 15.93 H new ATOM 0 HD13 LEU A 216 18.795 18.501 24.263 1.00 15.93 H new ATOM 0 HD21 LEU A 216 20.489 20.837 24.872 1.00 17.16 H new ATOM 0 HD22 LEU A 216 19.008 21.114 24.384 1.00 17.16 H new ATOM 0 HD23 LEU A 216 19.521 21.735 25.746 1.00 17.16 H new ATOM 1584 N TRP A 217 14.432 20.225 26.319 1.00 8.06 N ANISOU 1584 N TRP A 217 1028 839 1194 -3 21 -8 N ATOM 1585 CA TRP A 217 13.112 20.006 26.900 1.00 7.84 C ANISOU 1585 CA TRP A 217 998 820 1162 12 29 -20 C ATOM 1586 C TRP A 217 12.337 19.021 25.980 1.00 8.56 C ANISOU 1586 C TRP A 217 1074 929 1248 28 25 -3 C ATOM 1587 O TRP A 217 11.747 18.053 26.432 1.00 7.75 O ANISOU 1587 O TRP A 217 963 847 1133 26 24 -7 O ATOM 1588 CB TRP A 217 12.357 21.332 27.020 1.00 8.52 C ANISOU 1588 CB TRP A 217 1095 877 1264 28 41 -35 C ATOM 1589 CG TRP A 217 10.931 21.170 27.473 1.00 8.09 C ANISOU 1589 CG TRP A 217 1031 837 1205 48 51 -49 C ATOM 1590 CD1 TRP A 217 9.844 20.834 26.705 1.00 9.33 C ANISOU 1590 CD1 TRP A 217 1173 1008 1365 73 51 -37 C ATOM 1591 CD2 TRP A 217 10.447 21.305 28.809 1.00 8.16 C ANISOU 1591 CD2 TRP A 217 1041 856 1202 43 61 -80 C ATOM 1592 NE1 TRP A 217 8.723 20.712 27.496 1.00 8.93 N ANISOU 1592 NE1 TRP A 217 1110 977 1306 82 62 -58 N ATOM 1593 CE2 TRP A 217 9.067 20.997 28.797 1.00 10.35 C ANISOU 1593 CE2 TRP A 217 1301 1155 1476 64 70 -85 C ATOM 1594 CE3 TRP A 217 11.058 21.616 30.030 1.00 8.72 C ANISOU 1594 CE3 TRP A 217 1124 928 1260 19 64 -105 C ATOM 1595 CZ2 TRP A 217 8.270 21.083 29.943 1.00 10.25 C ANISOU 1595 CZ2 TRP A 217 1282 1163 1450 65 85 -114 C ATOM 1596 CZ3 TRP A 217 10.270 21.669 31.165 1.00 10.28 C ANISOU 1596 CZ3 TRP A 217 1319 1146 1442 20 78 -134 C ATOM 1597 CH2 TRP A 217 8.900 21.391 31.124 1.00 10.95 C ANISOU 1597 CH2 TRP A 217 1385 1250 1524 42 89 -138 C ATOM 0 H TRP A 217 14.612 21.039 26.107 1.00 8.06 H new ATOM 0 HA TRP A 217 13.197 19.632 27.791 1.00 7.84 H new ATOM 0 HB2 TRP A 217 12.825 21.907 27.646 1.00 8.52 H new ATOM 0 HB3 TRP A 217 12.367 21.781 26.160 1.00 8.52 H new ATOM 0 HD1 TRP A 217 9.862 20.707 25.784 1.00 9.33 H new ATOM 0 HE1 TRP A 217 7.938 20.494 27.222 1.00 8.93 H new ATOM 0 HE3 TRP A 217 11.972 21.783 30.076 1.00 8.72 H new ATOM 0 HZ2 TRP A 217 7.352 20.938 29.907 1.00 10.25 H new ATOM 0 HZ3 TRP A 217 10.662 21.896 31.978 1.00 10.28 H new ATOM 0 HH2 TRP A 217 8.406 21.415 31.912 1.00 10.95 H new ATOM 1598 N SER A 218 12.335 19.300 24.668 1.00 7.52 N ANISOU 1598 N SER A 218 939 789 1127 41 23 16 N ATOM 1599 CA SER A 218 11.605 18.431 23.735 1.00 7.10 C ANISOU 1599 CA SER A 218 872 757 1068 54 19 28 C ATOM 1600 C SER A 218 12.104 17.005 23.788 1.00 8.06 C ANISOU 1600 C SER A 218 987 898 1177 41 11 29 C ATOM 1601 O SER A 218 11.317 16.054 23.678 1.00 8.14 O ANISOU 1601 O SER A 218 988 924 1179 42 10 28 O ATOM 1602 CB SER A 218 11.659 18.968 22.318 1.00 8.52 C ANISOU 1602 CB SER A 218 1050 931 1255 67 17 49 C ATOM 1603 OG SER A 218 11.083 20.263 22.266 1.00 9.91 O ANISOU 1603 OG SER A 218 1236 1084 1447 85 23 51 O ATOM 0 H SER A 218 12.738 19.968 24.307 1.00 7.52 H new ATOM 0 HA SER A 218 10.678 18.428 24.019 1.00 7.10 H new ATOM 0 HB2 SER A 218 12.579 19.003 22.012 1.00 8.52 H new ATOM 0 HB3 SER A 218 11.184 18.370 21.720 1.00 8.52 H new ATOM 0 HG SER A 218 10.318 20.244 22.613 1.00 9.91 H new ATOM 1604 N LEU A 219 13.423 16.828 23.963 1.00 7.49 N ANISOU 1604 N LEU A 219 918 823 1103 27 6 31 N ATOM 1605 CA LEU A 219 13.976 15.497 24.146 1.00 8.01 C ANISOU 1605 CA LEU A 219 980 901 1160 20 -3 32 C ATOM 1606 C LEU A 219 13.416 14.832 25.416 1.00 8.21 C ANISOU 1606 C LEU A 219 1011 933 1176 11 -5 24 C ATOM 1607 O LEU A 219 13.020 13.664 25.371 1.00 8.45 O ANISOU 1607 O LEU A 219 1040 970 1200 10 -9 28 O ATOM 1608 CB LEU A 219 15.498 15.584 24.211 1.00 9.19 C ANISOU 1608 CB LEU A 219 1128 1052 1311 10 -10 35 C ATOM 1609 CG LEU A 219 16.179 14.287 24.634 1.00 12.55 C ANISOU 1609 CG LEU A 219 1550 1487 1730 9 -21 36 C ATOM 1610 CD1 LEU A 219 15.912 13.107 23.688 1.00 13.07 C ANISOU 1610 CD1 LEU A 219 1611 1557 1797 21 -24 40 C ATOM 1611 CD2 LEU A 219 17.609 14.539 24.988 1.00 17.90 C ANISOU 1611 CD2 LEU A 219 2221 2172 2408 1 -29 37 C ATOM 0 H LEU A 219 14.001 17.465 23.977 1.00 7.49 H new ATOM 0 HA LEU A 219 13.718 14.946 23.390 1.00 8.01 H new ATOM 0 HB2 LEU A 219 15.835 15.845 23.340 1.00 9.19 H new ATOM 0 HB3 LEU A 219 15.746 16.286 24.833 1.00 9.19 H new ATOM 0 HG LEU A 219 15.760 13.975 25.451 1.00 12.55 H new ATOM 0 HD11 LEU A 219 16.373 12.319 24.015 1.00 13.07 H new ATOM 0 HD12 LEU A 219 14.959 12.931 23.650 1.00 13.07 H new ATOM 0 HD13 LEU A 219 16.236 13.324 22.800 1.00 13.07 H new ATOM 0 HD21 LEU A 219 18.028 13.706 25.255 1.00 17.90 H new ATOM 0 HD22 LEU A 219 18.074 14.903 24.218 1.00 17.90 H new ATOM 0 HD23 LEU A 219 17.654 15.172 25.721 1.00 17.90 H new ATOM 1612 N GLY A 220 13.328 15.559 26.529 1.00 8.15 N ANISOU 1612 N GLY A 220 1010 923 1164 3 0 13 N ATOM 1613 CA GLY A 220 12.746 14.966 27.736 1.00 8.41 C ANISOU 1613 CA GLY A 220 1047 969 1181 -8 1 7 C ATOM 1614 C GLY A 220 11.296 14.550 27.519 1.00 8.04 C ANISOU 1614 C GLY A 220 993 931 1131 -3 10 5 C ATOM 1615 O GLY A 220 10.870 13.477 27.996 1.00 8.81 O ANISOU 1615 O GLY A 220 1091 1039 1216 -16 8 10 O ATOM 0 H GLY A 220 13.591 16.374 26.608 1.00 8.15 H new ATOM 0 HA2 GLY A 220 13.268 14.193 28.001 1.00 8.41 H new ATOM 0 HA3 GLY A 220 12.794 15.604 28.465 1.00 8.41 H new ATOM 1616 N ILE A 221 10.522 15.364 26.785 1.00 7.94 N ANISOU 1616 N ILE A 221 972 916 1130 14 19 1 N ATOM 1617 CA ILE A 221 9.140 14.987 26.491 1.00 7.45 C ANISOU 1617 CA ILE A 221 895 870 1064 19 25 -2 C ATOM 1618 C ILE A 221 9.105 13.736 25.615 1.00 7.51 C ANISOU 1618 C ILE A 221 898 884 1070 13 16 10 C ATOM 1619 O ILE A 221 8.240 12.862 25.802 1.00 8.32 O ANISOU 1619 O ILE A 221 995 1002 1164 1 18 8 O ATOM 1620 CB ILE A 221 8.365 16.165 25.837 1.00 8.34 C ANISOU 1620 CB ILE A 221 997 980 1190 45 33 -7 C ATOM 1621 CG1 ILE A 221 8.335 17.382 26.769 1.00 8.21 C ANISOU 1621 CG1 ILE A 221 989 952 1180 52 44 -24 C ATOM 1622 CG2 ILE A 221 6.935 15.726 25.467 1.00 9.24 C ANISOU 1622 CG2 ILE A 221 1089 1122 1300 51 37 -9 C ATOM 1623 CD1 ILE A 221 7.617 17.198 28.114 1.00 10.06 C ANISOU 1623 CD1 ILE A 221 1218 1208 1397 40 56 -45 C ATOM 0 H ILE A 221 10.774 16.118 26.458 1.00 7.94 H new ATOM 0 HA ILE A 221 8.694 14.780 27.327 1.00 7.45 H new ATOM 0 HB ILE A 221 8.828 16.422 25.024 1.00 8.34 H new ATOM 0 HG12 ILE A 221 9.250 17.650 26.948 1.00 8.21 H new ATOM 0 HG13 ILE A 221 7.911 18.116 26.297 1.00 8.21 H new ATOM 0 HG21 ILE A 221 6.463 16.470 25.060 1.00 9.24 H new ATOM 0 HG22 ILE A 221 6.975 14.987 24.840 1.00 9.24 H new ATOM 0 HG23 ILE A 221 6.465 15.445 26.268 1.00 9.24 H new ATOM 0 HD11 ILE A 221 7.659 18.025 28.619 1.00 10.06 H new ATOM 0 HD12 ILE A 221 6.689 16.963 27.956 1.00 10.06 H new ATOM 0 HD13 ILE A 221 8.049 16.490 28.617 1.00 10.06 H new ATOM 1624 N THR A 222 10.031 13.636 24.652 1.00 7.14 N ANISOU 1624 N THR A 222 855 826 1031 20 7 19 N ATOM 1625 CA THR A 222 10.126 12.468 23.785 1.00 7.32 C ANISOU 1625 CA THR A 222 876 852 1053 17 -1 24 C ATOM 1626 C THR A 222 10.464 11.229 24.609 1.00 8.21 C ANISOU 1626 C THR A 222 1002 958 1160 -1 -7 26 C ATOM 1627 O THR A 222 9.974 10.118 24.304 1.00 8.05 O ANISOU 1627 O THR A 222 982 938 1137 -11 -9 26 O ATOM 1628 CB THR A 222 11.116 12.731 22.660 1.00 7.67 C ANISOU 1628 CB THR A 222 920 891 1104 28 -6 30 C ATOM 1629 OG1 THR A 222 10.684 13.891 21.936 1.00 8.51 O ANISOU 1629 OG1 THR A 222 1018 1001 1214 43 -1 34 O ATOM 1630 CG2 THR A 222 11.174 11.551 21.655 1.00 9.65 C ANISOU 1630 CG2 THR A 222 1168 1146 1352 27 -12 28 C ATOM 0 H THR A 222 10.617 14.244 24.489 1.00 7.14 H new ATOM 0 HA THR A 222 9.269 12.296 23.365 1.00 7.32 H new ATOM 0 HB THR A 222 11.993 12.851 23.057 1.00 7.67 H new ATOM 0 HG1 THR A 222 10.851 14.580 22.386 1.00 8.51 H new ATOM 0 HG21 THR A 222 11.813 11.754 20.954 1.00 9.65 H new ATOM 0 HG22 THR A 222 11.448 10.744 22.118 1.00 9.65 H new ATOM 0 HG23 THR A 222 10.297 11.416 21.263 1.00 9.65 H new ATOM 1631 N ALA A 223 11.299 11.358 25.628 1.00 7.65 N ANISOU 1631 N ALA A 223 941 879 1086 -6 -10 30 N ATOM 1632 CA ALA A 223 11.585 10.220 26.506 1.00 8.34 C ANISOU 1632 CA ALA A 223 1043 961 1166 -20 -18 39 C ATOM 1633 C ALA A 223 10.329 9.801 27.265 1.00 8.65 C ANISOU 1633 C ALA A 223 1083 1011 1191 -40 -10 38 C ATOM 1634 O ALA A 223 10.071 8.587 27.420 1.00 7.98 O ANISOU 1634 O ALA A 223 1009 919 1104 -55 -14 47 O ATOM 1635 CB ALA A 223 12.696 10.594 27.483 1.00 9.94 C ANISOU 1635 CB ALA A 223 1252 1163 1363 -21 -25 43 C ATOM 0 H ALA A 223 11.710 12.085 25.832 1.00 7.65 H new ATOM 0 HA ALA A 223 11.876 9.469 25.965 1.00 8.34 H new ATOM 0 HB1 ALA A 223 12.884 9.840 28.063 1.00 9.94 H new ATOM 0 HB2 ALA A 223 13.497 10.829 26.988 1.00 9.94 H new ATOM 0 HB3 ALA A 223 12.414 11.352 28.019 1.00 9.94 H new ATOM 1636 N ILE A 224 9.531 10.771 27.772 1.00 8.07 N ANISOU 1636 N ILE A 224 999 956 1110 -42 4 27 N ATOM 1637 CA ILE A 224 8.244 10.415 28.382 1.00 8.33 C ANISOU 1637 CA ILE A 224 1025 1009 1129 -62 15 23 C ATOM 1638 C ILE A 224 7.310 9.767 27.353 1.00 9.08 C ANISOU 1638 C ILE A 224 1109 1111 1231 -66 17 21 C ATOM 1639 O ILE A 224 6.619 8.786 27.680 1.00 9.36 O ANISOU 1639 O ILE A 224 1146 1153 1257 -93 19 25 O ATOM 1640 CB ILE A 224 7.569 11.627 29.039 1.00 9.35 C ANISOU 1640 CB ILE A 224 1142 1160 1251 -56 31 6 C ATOM 1641 CG1 ILE A 224 8.391 12.088 30.237 1.00 10.10 C ANISOU 1641 CG1 ILE A 224 1251 1254 1333 -62 30 4 C ATOM 1642 CG2 ILE A 224 6.128 11.268 29.463 1.00 10.77 C ANISOU 1642 CG2 ILE A 224 1305 1370 1416 -74 46 -1 C ATOM 1643 CD1 ILE A 224 7.863 13.304 30.972 1.00 11.10 C ANISOU 1643 CD1 ILE A 224 1369 1397 1453 -56 47 -20 C ATOM 0 H ILE A 224 9.716 11.611 27.770 1.00 8.07 H new ATOM 0 HA ILE A 224 8.427 9.768 29.081 1.00 8.33 H new ATOM 0 HB ILE A 224 7.523 12.355 28.399 1.00 9.35 H new ATOM 0 HG12 ILE A 224 8.454 11.353 30.867 1.00 10.10 H new ATOM 0 HG13 ILE A 224 9.292 12.280 29.934 1.00 10.10 H new ATOM 0 HG21 ILE A 224 5.710 12.040 29.877 1.00 10.77 H new ATOM 0 HG22 ILE A 224 5.617 11.004 28.682 1.00 10.77 H new ATOM 0 HG23 ILE A 224 6.150 10.534 30.097 1.00 10.77 H new ATOM 0 HD11 ILE A 224 8.452 13.516 31.713 1.00 11.10 H new ATOM 0 HD12 ILE A 224 7.825 14.059 30.364 1.00 11.10 H new ATOM 0 HD13 ILE A 224 6.973 13.117 31.310 1.00 11.10 H new ATOM 1644 N GLU A 225 7.304 10.225 26.126 1.00 8.26 N ANISOU 1644 N GLU A 225 993 1007 1140 -45 14 15 N ATOM 1645 CA GLU A 225 6.503 9.658 25.063 1.00 8.94 C ANISOU 1645 CA GLU A 225 1065 1103 1228 -50 12 11 C ATOM 1646 C GLU A 225 6.875 8.174 24.877 1.00 9.02 C ANISOU 1646 C GLU A 225 1095 1093 1241 -70 3 17 C ATOM 1647 O GLU A 225 6.003 7.324 24.735 1.00 9.38 O ANISOU 1647 O GLU A 225 1136 1146 1280 -94 5 13 O ATOM 1648 CB GLU A 225 6.737 10.477 23.797 1.00 10.60 C ANISOU 1648 CB GLU A 225 1264 1315 1448 -22 8 9 C ATOM 1649 CG GLU A 225 6.040 9.986 22.548 1.00 12.02 C ANISOU 1649 CG GLU A 225 1428 1512 1626 -24 3 3 C ATOM 1650 CD GLU A 225 6.396 10.740 21.283 1.00 13.45 C ANISOU 1650 CD GLU A 225 1601 1697 1810 2 -2 6 C ATOM 1651 OE1 GLU A 225 5.754 10.418 20.252 1.00 15.76 O ANISOU 1651 OE1 GLU A 225 1879 2013 2097 0 -7 1 O ATOM 1652 OE2 GLU A 225 7.332 11.571 21.276 1.00 11.24 O ANISOU 1652 OE2 GLU A 225 1331 1402 1539 19 -3 15 O ATOM 0 H GLU A 225 7.780 10.896 25.875 1.00 8.26 H new ATOM 0 HA GLU A 225 5.558 9.692 25.278 1.00 8.94 H new ATOM 0 HB2 GLU A 225 6.453 11.389 23.967 1.00 10.60 H new ATOM 0 HB3 GLU A 225 7.691 10.505 23.623 1.00 10.60 H new ATOM 0 HG2 GLU A 225 6.253 9.048 22.421 1.00 12.02 H new ATOM 0 HG3 GLU A 225 5.081 10.043 22.684 1.00 12.02 H new ATOM 1653 N MET A 226 8.175 7.855 24.873 1.00 8.21 N ANISOU 1653 N MET A 226 1011 962 1145 -60 -7 25 N ATOM 1654 CA MET A 226 8.574 6.447 24.739 1.00 7.83 C ANISOU 1654 CA MET A 226 984 887 1103 -72 -16 29 C ATOM 1655 C MET A 226 8.196 5.605 25.954 1.00 9.11 C ANISOU 1655 C MET A 226 1165 1040 1256 -101 -15 43 C ATOM 1656 O MET A 226 7.865 4.438 25.798 1.00 9.29 O ANISOU 1656 O MET A 226 1202 1045 1283 -122 -18 45 O ATOM 1657 CB MET A 226 10.084 6.359 24.534 1.00 8.35 C ANISOU 1657 CB MET A 226 1062 931 1181 -48 -27 34 C ATOM 1658 CG MET A 226 10.509 6.850 23.158 1.00 9.04 C ANISOU 1658 CG MET A 226 1135 1025 1275 -26 -27 22 C ATOM 1659 SD MET A 226 12.267 6.555 22.807 1.00 10.74 S ANISOU 1659 SD MET A 226 1357 1221 1501 0 -37 23 S ATOM 1660 CE MET A 226 12.948 8.049 23.403 1.00 11.59 C ANISOU 1660 CE MET A 226 1454 1344 1605 10 -35 32 C ATOM 0 H MET A 226 8.822 8.417 24.944 1.00 8.21 H new ATOM 0 HA MET A 226 8.096 6.092 23.973 1.00 7.83 H new ATOM 0 HB2 MET A 226 10.532 6.884 25.215 1.00 8.35 H new ATOM 0 HB3 MET A 226 10.371 5.440 24.650 1.00 8.35 H new ATOM 0 HG2 MET A 226 9.971 6.408 22.483 1.00 9.04 H new ATOM 0 HG3 MET A 226 10.326 7.800 23.089 1.00 9.04 H new ATOM 0 HE1 MET A 226 13.470 8.469 22.702 1.00 11.59 H new ATOM 0 HE2 MET A 226 12.233 8.645 23.675 1.00 11.59 H new ATOM 0 HE3 MET A 226 13.520 7.863 24.164 1.00 11.59 H new ATOM 1661 N ALA A 227 8.286 6.184 27.150 1.00 8.56 N ANISOU 1661 N ALA A 227 1096 982 1173 -105 -11 53 N ATOM 1662 CA ALA A 227 7.999 5.454 28.370 1.00 8.46 C ANISOU 1662 CA ALA A 227 1102 968 1147 -134 -10 71 C ATOM 1663 C ALA A 227 6.498 5.215 28.558 1.00 10.69 C ANISOU 1663 C ALA A 227 1371 1276 1416 -168 5 65 C ATOM 1664 O ALA A 227 6.069 4.122 28.958 1.00 10.59 O ANISOU 1664 O ALA A 227 1375 1251 1397 -202 6 78 O ATOM 1665 CB ALA A 227 8.540 6.277 29.518 1.00 9.50 C ANISOU 1665 CB ALA A 227 1233 1113 1262 -128 -9 77 C ATOM 0 H ALA A 227 8.514 7.004 27.271 1.00 8.56 H new ATOM 0 HA ALA A 227 8.416 4.579 28.330 1.00 8.46 H new ATOM 0 HB1 ALA A 227 8.366 5.819 30.355 1.00 9.50 H new ATOM 0 HB2 ALA A 227 9.496 6.397 29.408 1.00 9.50 H new ATOM 0 HB3 ALA A 227 8.105 7.144 29.528 1.00 9.50 H new ATOM 1666 N GLU A 228 5.702 6.270 28.365 1.00 9.82 N ANISOU 1666 N GLU A 228 1229 1201 1299 -160 19 46 N ATOM 1667 CA GLU A 228 4.265 6.237 28.662 1.00 10.46 C ANISOU 1667 CA GLU A 228 1288 1320 1366 -188 35 38 C ATOM 1668 C GLU A 228 3.386 6.128 27.446 1.00 12.72 C ANISOU 1668 C GLU A 228 1549 1621 1661 -190 36 21 C ATOM 1669 O GLU A 228 2.178 5.861 27.622 1.00 13.01 O ANISOU 1669 O GLU A 228 1566 1692 1686 -219 48 14 O ATOM 1670 CB GLU A 228 3.913 7.462 29.514 1.00 11.75 C ANISOU 1670 CB GLU A 228 1432 1518 1514 -177 50 27 C ATOM 1671 CG GLU A 228 4.608 7.440 30.869 1.00 13.69 C ANISOU 1671 CG GLU A 228 1701 1758 1742 -187 50 42 C ATOM 1672 CD GLU A 228 4.390 8.617 31.798 1.00 16.36 C ANISOU 1672 CD GLU A 228 2024 2128 2063 -177 66 26 C ATOM 1673 OE1 GLU A 228 3.790 9.629 31.371 1.00 17.23 O ANISOU 1673 OE1 GLU A 228 2108 2258 2182 -153 76 2 O ATOM 1674 OE2 GLU A 228 4.808 8.520 32.969 1.00 16.63 O ANISOU 1674 OE2 GLU A 228 2076 2169 2075 -193 66 36 O ATOM 0 H GLU A 228 5.979 7.024 28.059 1.00 9.82 H new ATOM 0 HA GLU A 228 4.085 5.422 29.157 1.00 10.46 H new ATOM 0 HB2 GLU A 228 4.164 8.268 29.037 1.00 11.75 H new ATOM 0 HB3 GLU A 228 2.953 7.497 29.646 1.00 11.75 H new ATOM 0 HG2 GLU A 228 4.326 6.637 31.335 1.00 13.69 H new ATOM 0 HG3 GLU A 228 5.562 7.357 30.713 1.00 13.69 H new ATOM 1675 N GLY A 229 3.930 6.243 26.262 1.00 10.86 N ANISOU 1675 N GLY A 229 1315 1369 1442 -164 25 15 N ATOM 1676 CA GLY A 229 3.194 6.080 25.029 1.00 10.99 C ANISOU 1676 CA GLY A 229 1309 1404 1464 -166 22 -1 C ATOM 1677 C GLY A 229 2.717 7.344 24.381 1.00 12.32 C ANISOU 1677 C GLY A 229 1443 1605 1632 -133 25 -12 C ATOM 1678 O GLY A 229 2.267 7.319 23.241 1.00 15.50 O ANISOU 1678 O GLY A 229 1828 2026 2037 -129 18 -22 O ATOM 0 H GLY A 229 4.763 6.423 26.144 1.00 10.86 H new ATOM 0 HA2 GLY A 229 3.756 5.605 24.397 1.00 10.99 H new ATOM 0 HA3 GLY A 229 2.424 5.516 25.204 1.00 10.99 H new ATOM 1679 N ALA A 230 2.780 8.453 25.119 1.00 11.19 N ANISOU 1679 N ALA A 230 1294 1472 1487 -111 33 -11 N ATOM 1680 CA ALA A 230 2.302 9.726 24.619 1.00 11.51 C ANISOU 1680 CA ALA A 230 1306 1537 1532 -76 36 -19 C ATOM 1681 C ALA A 230 2.970 10.794 25.456 1.00 10.72 C ANISOU 1681 C ALA A 230 1216 1421 1435 -53 42 -17 C ATOM 1682 O ALA A 230 3.334 10.543 26.598 1.00 10.69 O ANISOU 1682 O ALA A 230 1230 1408 1423 -70 48 -14 O ATOM 1683 CB ALA A 230 0.772 9.807 24.813 1.00 13.37 C ANISOU 1683 CB ALA A 230 1501 1822 1756 -88 48 -32 C ATOM 0 H ALA A 230 3.100 8.482 25.917 1.00 11.19 H new ATOM 0 HA ALA A 230 2.504 9.836 23.677 1.00 11.51 H new ATOM 0 HB1 ALA A 230 0.448 10.658 24.479 1.00 13.37 H new ATOM 0 HB2 ALA A 230 0.345 9.085 24.325 1.00 13.37 H new ATOM 0 HB3 ALA A 230 0.561 9.728 25.756 1.00 13.37 H new ATOM 1684 N PRO A 231 3.066 12.028 24.945 1.00 10.23 N ANISOU 1684 N PRO A 231 1145 1357 1384 -15 41 -20 N ATOM 1685 CA PRO A 231 3.619 13.107 25.763 1.00 10.08 C ANISOU 1685 CA PRO A 231 1138 1321 1370 4 49 -23 C ATOM 1686 C PRO A 231 2.603 13.479 26.847 1.00 11.30 C ANISOU 1686 C PRO A 231 1274 1506 1515 1 67 -40 C ATOM 1687 O PRO A 231 1.398 13.185 26.713 1.00 12.35 O ANISOU 1687 O PRO A 231 1377 1677 1641 -6 74 -48 O ATOM 1688 CB PRO A 231 3.775 14.260 24.764 1.00 11.51 C ANISOU 1688 CB PRO A 231 1314 1492 1568 42 43 -19 C ATOM 1689 CG PRO A 231 2.686 14.017 23.736 1.00 12.88 C ANISOU 1689 CG PRO A 231 1457 1698 1739 49 38 -19 C ATOM 1690 CD PRO A 231 2.637 12.502 23.613 1.00 10.70 C ANISOU 1690 CD PRO A 231 1185 1430 1451 10 33 -18 C ATOM 0 HA PRO A 231 4.450 12.880 26.208 1.00 10.08 H new ATOM 0 HB2 PRO A 231 3.666 15.121 25.198 1.00 11.51 H new ATOM 0 HB3 PRO A 231 4.655 14.257 24.355 1.00 11.51 H new ATOM 0 HG2 PRO A 231 1.834 14.379 24.027 1.00 12.88 H new ATOM 0 HG3 PRO A 231 2.897 14.437 22.887 1.00 12.88 H new ATOM 0 HD2 PRO A 231 1.745 12.191 23.395 1.00 10.70 H new ATOM 0 HD3 PRO A 231 3.228 12.182 22.914 1.00 10.70 H new ATOM 1691 N PRO A 232 3.035 14.156 27.906 1.00 10.69 N ANISOU 1691 N PRO A 232 1210 1418 1435 5 77 -50 N ATOM 1692 CA PRO A 232 2.059 14.669 28.893 1.00 11.72 C ANISOU 1692 CA PRO A 232 1320 1580 1553 8 98 -73 C ATOM 1693 C PRO A 232 1.009 15.551 28.191 1.00 12.97 C ANISOU 1693 C PRO A 232 1444 1757 1726 47 102 -84 C ATOM 1694 O PRO A 232 1.267 16.233 27.175 1.00 13.12 O ANISOU 1694 O PRO A 232 1466 1753 1766 79 91 -75 O ATOM 1695 CB PRO A 232 2.936 15.545 29.809 1.00 12.96 C ANISOU 1695 CB PRO A 232 1502 1713 1711 15 103 -84 C ATOM 1696 CG PRO A 232 4.347 14.924 29.687 1.00 15.04 C ANISOU 1696 CG PRO A 232 1797 1943 1974 -4 85 -62 C ATOM 1697 CD PRO A 232 4.428 14.554 28.218 1.00 12.63 C ANISOU 1697 CD PRO A 232 1487 1627 1685 7 70 -45 C ATOM 0 HA PRO A 232 1.577 13.968 29.359 1.00 11.72 H new ATOM 0 HB2 PRO A 232 2.931 16.472 29.524 1.00 12.96 H new ATOM 0 HB3 PRO A 232 2.619 15.528 30.726 1.00 12.96 H new ATOM 0 HG2 PRO A 232 5.040 15.554 29.938 1.00 15.04 H new ATOM 0 HG3 PRO A 232 4.449 14.148 30.260 1.00 15.04 H new ATOM 0 HD2 PRO A 232 4.720 15.302 27.673 1.00 12.63 H new ATOM 0 HD3 PRO A 232 5.053 13.829 28.063 1.00 12.63 H new ATOM 1698 N LEU A 233 -0.209 15.505 28.727 1.00 13.35 N ANISOU 1698 N LEU A 233 1459 1851 1763 44 120 -102 N ATOM 1699 CA LEU A 233 -1.342 16.340 28.272 1.00 14.21 C ANISOU 1699 CA LEU A 233 1528 1988 1884 86 126 -117 C ATOM 1700 C LEU A 233 -1.855 16.023 26.870 1.00 17.72 C ANISOU 1700 C LEU A 233 1949 2447 2336 96 108 -100 C ATOM 1701 O LEU A 233 -2.608 16.809 26.290 1.00 17.05 O ANISOU 1701 O LEU A 233 1834 2378 2264 139 105 -104 O ATOM 1702 CB LEU A 233 -1.012 17.864 28.379 1.00 14.39 C ANISOU 1702 CB LEU A 233 1564 1974 1929 135 130 -130 C ATOM 1703 CG LEU A 233 -0.350 18.336 29.666 1.00 16.18 C ANISOU 1703 CG LEU A 233 1818 2180 2149 126 145 -151 C ATOM 1704 CD1 LEU A 233 0.170 19.771 29.535 1.00 16.83 C ANISOU 1704 CD1 LEU A 233 1922 2213 2260 168 144 -161 C ATOM 1705 CD2 LEU A 233 -1.272 18.155 30.862 1.00 18.23 C ANISOU 1705 CD2 LEU A 233 2051 2490 2384 111 171 -180 C ATOM 0 H LEU A 233 -0.412 14.981 29.378 1.00 13.35 H new ATOM 0 HA LEU A 233 -2.062 16.112 28.881 1.00 14.21 H new ATOM 0 HB2 LEU A 233 -0.433 18.100 27.637 1.00 14.39 H new ATOM 0 HB3 LEU A 233 -1.837 18.361 28.264 1.00 14.39 H new ATOM 0 HG LEU A 233 0.425 17.775 29.826 1.00 16.18 H new ATOM 0 HD11 LEU A 233 0.585 20.042 30.369 1.00 16.83 H new ATOM 0 HD12 LEU A 233 0.824 19.815 28.820 1.00 16.83 H new ATOM 0 HD13 LEU A 233 -0.569 20.366 29.334 1.00 16.83 H new ATOM 0 HD21 LEU A 233 -0.824 18.463 31.665 1.00 18.23 H new ATOM 0 HD22 LEU A 233 -2.083 18.669 30.726 1.00 18.23 H new ATOM 0 HD23 LEU A 233 -1.497 17.216 30.958 1.00 18.23 H new ATOM 1706 N ACYS A 234 -1.457 14.859 26.299 0.50 15.09 N ANISOU 1706 N ACYS A 234 1629 2110 1994 59 94 -82 N ATOM 1707 N BCYS A 234 -1.480 14.841 26.339 0.50 17.32 N ANISOU 1707 N BCYS A 234 1910 2393 2276 58 94 -82 N ATOM 1708 CA ACYS A 234 -1.844 14.449 24.939 0.50 16.30 C ANISOU 1708 CA ACYS A 234 1763 2280 2150 62 75 -69 C ATOM 1709 CA BCYS A 234 -1.851 14.365 25.005 0.50 19.53 C ANISOU 1709 CA BCYS A 234 2172 2690 2557 59 76 -69 C ATOM 1710 C ACYS A 234 -3.365 14.352 24.734 0.50 23.22 C ANISOU 1710 C ACYS A 234 2583 3220 3017 66 80 -82 C ATOM 1711 C BCYS A 234 -3.352 14.365 24.758 0.50 24.49 C ANISOU 1711 C BCYS A 234 2746 3381 3179 66 80 -82 C ATOM 1712 O ACYS A 234 -3.825 14.597 23.622 0.50 24.23 O ANISOU 1712 O ACYS A 234 2688 3368 3151 90 64 -74 O ATOM 1713 O BCYS A 234 -3.779 14.644 23.640 0.50 24.97 O ANISOU 1713 O BCYS A 234 2784 3459 3246 92 65 -74 O ATOM 1714 CB ACYS A 234 -1.141 13.151 24.543 0.50 16.87 C ANISOU 1714 CB ACYS A 234 1862 2335 2214 19 63 -56 C ATOM 1715 CB BCYS A 234 -1.266 12.977 24.765 0.50 21.04 C ANISOU 1715 CB BCYS A 234 2387 2867 2738 11 67 -58 C ATOM 1716 SG ACYS A 234 -1.275 12.723 22.782 0.50 21.17 S ANISOU 1716 SG ACYS A 234 2393 2891 2759 23 40 -44 S ATOM 1717 SG BCYS A 234 -1.977 11.680 25.812 0.50 26.38 S ANISOU 1717 SG BCYS A 234 3054 3576 3391 -50 82 -66 S ATOM 0 H ACYS A 234 -0.953 14.289 26.699 0.50 17.32 H new ATOM 0 H BCYS A 234 -0.986 14.282 26.767 0.50 17.32 H new ATOM 0 HA ACYS A 234 -1.547 15.157 24.346 0.50 19.53 H new ATOM 0 HA BCYS A 234 -1.475 14.994 24.369 0.50 19.53 H new ATOM 0 HB2ACYS A 234 -0.202 13.222 24.776 0.50 21.04 H new ATOM 0 HB2BCYS A 234 -1.400 12.737 23.835 0.50 21.04 H new ATOM 0 HB3ACYS A 234 -1.510 12.424 25.069 0.50 21.04 H new ATOM 0 HB3BCYS A 234 -0.308 13.010 24.914 0.50 21.04 H new ATOM 0 HG ACYS A 234 -2.266 13.220 22.323 0.50 26.38 H new ATOM 0 HG BCYS A 234 -1.940 12.027 26.960 0.50 26.38 H new ATOM 1718 N ASP A 235 -4.120 14.049 25.808 1.00 22.46 N ANISOU 1718 N ASP A 235 2466 3161 2907 42 101 -100 N ATOM 1719 CA ASP A 235 -5.593 13.933 25.801 1.00 23.88 C ANISOU 1719 CA ASP A 235 2586 3411 3076 39 110 -116 C ATOM 1720 C ASP A 235 -6.305 15.284 25.897 1.00 29.35 C ANISOU 1720 C ASP A 235 3244 4125 3783 103 119 -133 C ATOM 1721 O ASP A 235 -7.509 15.322 26.180 1.00 31.39 O ANISOU 1721 O ASP A 235 3449 4445 4032 107 132 -152 O ATOM 1722 CB ASP A 235 -6.058 13.025 26.950 1.00 26.96 C ANISOU 1722 CB ASP A 235 2968 3835 3442 -18 133 -128 C ATOM 0 H AASP A 235 -3.777 13.901 26.583 0.50 22.46 H new ATOM 0 H BASP A 235 -3.783 13.888 26.583 0.50 22.46 H new ATOM 0 HA ASP A 235 -5.833 13.544 24.945 1.00 23.88 H new ATOM 1723 N MET A 236 -5.594 16.386 25.685 1.00 21.70 N ANISOU 1723 N MET A 236 2303 3106 2838 153 112 -126 N ATOM 1724 CA MET A 236 -6.293 17.650 25.705 1.00 21.52 C ANISOU 1724 CA MET A 236 2250 3095 2833 217 118 -140 C ATOM 1725 C MET A 236 -6.008 18.427 24.463 1.00 21.47 C ANISOU 1725 C MET A 236 2253 3058 2848 266 92 -115 C ATOM 1726 O MET A 236 -5.014 18.185 23.778 1.00 20.18 O ANISOU 1726 O MET A 236 2128 2853 2687 251 75 -91 O ATOM 1727 CB MET A 236 -6.126 18.471 26.991 1.00 24.98 C ANISOU 1727 CB MET A 236 2703 3513 3277 236 144 -168 C ATOM 1728 CG MET A 236 -4.771 18.596 27.515 1.00 27.24 C ANISOU 1728 CG MET A 236 3049 3735 3566 219 145 -163 C ATOM 1729 SD MET A 236 -4.745 19.350 29.168 1.00 28.64 S ANISOU 1729 SD MET A 236 3235 3907 3738 226 178 -205 S ATOM 1730 CE MET A 236 -5.523 18.106 30.181 1.00 27.92 C ANISOU 1730 CE MET A 236 3111 3892 3606 165 201 -220 C ATOM 0 H MET A 236 -4.748 16.421 25.535 1.00 21.70 H new ATOM 0 HA MET A 236 -7.238 17.432 25.715 1.00 21.52 H new ATOM 0 HB2 MET A 236 -6.472 19.363 26.828 1.00 24.98 H new ATOM 0 HB3 MET A 236 -6.682 18.073 27.679 1.00 24.98 H new ATOM 0 HG2 MET A 236 -4.358 17.719 27.554 1.00 27.24 H new ATOM 0 HG3 MET A 236 -4.239 19.133 26.907 1.00 27.24 H new ATOM 0 HE1 MET A 236 -5.275 18.242 31.109 1.00 27.92 H new ATOM 0 HE2 MET A 236 -6.487 18.172 30.091 1.00 27.92 H new ATOM 0 HE3 MET A 236 -5.231 17.226 29.895 1.00 27.92 H new ATOM 1731 N HIS A 237 -6.898 19.363 24.155 1.00 18.88 N ANISOU 1731 N HIS A 237 1887 2751 2536 327 90 -121 N ATOM 1732 CA HIS A 237 -6.761 20.206 22.995 1.00 17.85 C ANISOU 1732 CA HIS A 237 1763 2594 2426 379 65 -92 C ATOM 1733 C HIS A 237 -5.396 20.892 23.069 1.00 18.73 C ANISOU 1733 C HIS A 237 1940 2620 2555 386 64 -79 C ATOM 1734 O HIS A 237 -4.970 21.285 24.168 1.00 15.38 O ANISOU 1734 O HIS A 237 1541 2163 2139 383 86 -102 O ATOM 1735 CB HIS A 237 -7.905 21.242 22.977 1.00 20.95 C ANISOU 1735 CB HIS A 237 2108 3016 2837 451 67 -104 C ATOM 1736 CG HIS A 237 -7.985 22.038 21.715 1.00 25.67 C ANISOU 1736 CG HIS A 237 2704 3598 3451 506 38 -68 C ATOM 1737 ND1 HIS A 237 -7.101 23.075 21.456 1.00 27.28 N ANISOU 1737 ND1 HIS A 237 2961 3722 3682 542 31 -47 N ATOM 1738 CD2 HIS A 237 -8.851 21.932 20.678 1.00 29.18 C ANISOU 1738 CD2 HIS A 237 3102 4099 3887 529 13 -49 C ATOM 1739 CE1 HIS A 237 -7.440 23.549 20.268 1.00 28.35 C ANISOU 1739 CE1 HIS A 237 3082 3865 3823 585 3 -11 C ATOM 1740 NE2 HIS A 237 -8.491 22.891 19.761 1.00 29.34 N ANISOU 1740 NE2 HIS A 237 3148 4075 3927 581 -10 -11 N ATOM 0 H HIS A 237 -7.602 19.522 24.623 1.00 18.88 H new ATOM 0 HA HIS A 237 -6.816 19.687 22.177 1.00 17.85 H new ATOM 0 HB2 HIS A 237 -8.748 20.781 23.112 1.00 20.95 H new ATOM 0 HB3 HIS A 237 -7.791 21.849 23.725 1.00 20.95 H new ATOM 0 HD2 HIS A 237 -9.553 21.327 20.601 1.00 29.18 H new ATOM 0 HE1 HIS A 237 -7.004 24.250 19.839 1.00 28.35 H new ATOM 0 HE2 HIS A 237 -8.870 23.041 19.003 1.00 29.34 H new ATOM 1741 N PRO A 238 -4.706 21.063 21.938 1.00 17.54 N ANISOU 1741 N PRO A 238 1818 2438 2410 393 41 -43 N ATOM 1742 CA PRO A 238 -3.382 21.705 21.994 1.00 16.79 C ANISOU 1742 CA PRO A 238 1782 2265 2331 393 41 -29 C ATOM 1743 C PRO A 238 -3.379 23.097 22.651 1.00 18.09 C ANISOU 1743 C PRO A 238 1964 2382 2527 442 54 -44 C ATOM 1744 O PRO A 238 -2.393 23.407 23.318 1.00 15.62 O ANISOU 1744 O PRO A 238 1696 2017 2223 424 65 -53 O ATOM 1745 CB PRO A 238 -2.926 21.717 20.524 1.00 19.32 C ANISOU 1745 CB PRO A 238 2116 2577 2649 397 13 13 C ATOM 1746 CG PRO A 238 -4.190 21.505 19.713 1.00 25.61 C ANISOU 1746 CG PRO A 238 2857 3439 3434 422 -3 22 C ATOM 1747 CD PRO A 238 -5.017 20.606 20.560 1.00 20.21 C ANISOU 1747 CD PRO A 238 2134 2812 2735 392 14 -14 C ATOM 0 HA PRO A 238 -2.770 21.220 22.570 1.00 16.79 H new ATOM 0 HB2 PRO A 238 -2.501 22.558 20.296 1.00 19.32 H new ATOM 0 HB3 PRO A 238 -2.278 21.016 20.352 1.00 19.32 H new ATOM 0 HG2 PRO A 238 -4.644 22.344 19.538 1.00 25.61 H new ATOM 0 HG3 PRO A 238 -3.996 21.102 18.852 1.00 25.61 H new ATOM 0 HD2 PRO A 238 -5.962 20.692 20.358 1.00 20.21 H new ATOM 0 HD3 PRO A 238 -4.782 19.674 20.430 1.00 20.21 H new ATOM 1748 N AMET A 239 -4.448 23.900 22.509 0.50 17.23 N ANISOU 1748 N AMET A 239 1821 2290 2436 503 53 -48 N ATOM 1749 N BMET A 239 -4.438 23.912 22.513 0.50 15.87 N ANISOU 1749 N BMET A 239 1649 2116 2264 503 53 -48 N ATOM 1750 CA AMET A 239 -4.497 25.211 23.160 0.50 18.46 C ANISOU 1750 CA AMET A 239 1995 2394 2624 554 67 -68 C ATOM 1751 CA BMET A 239 -4.447 25.225 23.172 0.50 16.42 C ANISOU 1751 CA BMET A 239 1739 2133 2367 553 67 -68 C ATOM 1752 C AMET A 239 -4.497 25.095 24.679 0.50 17.59 C ANISOU 1752 C AMET A 239 1886 2288 2508 531 98 -118 C ATOM 1753 C BMET A 239 -4.464 25.089 24.690 0.50 16.57 C ANISOU 1753 C BMET A 239 1758 2157 2378 530 99 -119 C ATOM 1754 O AMET A 239 -3.936 25.959 25.358 0.50 16.10 O ANISOU 1754 O AMET A 239 1736 2041 2340 543 112 -138 O ATOM 1755 O BMET A 239 -3.891 25.936 25.382 0.50 15.05 O ANISOU 1755 O BMET A 239 1605 1908 2207 541 112 -139 O ATOM 1756 CB AMET A 239 -5.726 26.031 22.724 0.50 22.90 C ANISOU 1756 CB AMET A 239 2515 2977 3207 630 59 -65 C ATOM 1757 CB BMET A 239 -5.659 26.068 22.764 0.50 20.33 C ANISOU 1757 CB BMET A 239 2193 2647 2883 630 60 -66 C ATOM 1758 CG AMET A 239 -5.616 26.679 21.344 0.50 28.68 C ANISOU 1758 CG AMET A 239 3262 3680 3956 671 28 -12 C ATOM 1759 CG BMET A 239 -5.627 26.586 21.351 0.50 25.40 C ANISOU 1759 CG BMET A 239 2843 3269 3537 669 28 -13 C ATOM 1760 SD AMET A 239 -4.107 27.600 20.918 0.50 34.35 S ANISOU 1760 SD AMET A 239 4064 4290 4700 669 21 23 S ATOM 1761 SD BMET A 239 -6.796 27.960 21.157 0.50 31.15 S ANISOU 1761 SD BMET A 239 3541 3992 4305 774 22 -12 S ATOM 1762 CE AMET A 239 -3.845 28.505 22.319 0.50 30.85 C ANISOU 1762 CE AMET A 239 3652 3787 4284 679 52 -29 C ATOM 1763 CE BMET A 239 -8.373 27.107 21.303 0.50 28.18 C ANISOU 1763 CE BMET A 239 3074 3730 3903 779 26 -41 C ATOM 0 H AMET A 239 -5.144 23.702 22.045 0.50 15.87 H new ATOM 0 H BMET A 239 -5.142 23.728 22.054 0.50 15.87 H new ATOM 0 HA AMET A 239 -3.693 25.673 22.876 0.50 16.42 H new ATOM 0 HA BMET A 239 -3.633 25.667 22.885 0.50 16.42 H new ATOM 0 HB2AMET A 239 -6.504 25.452 22.733 0.50 20.33 H new ATOM 0 HB2BMET A 239 -6.461 25.535 22.881 0.50 20.33 H new ATOM 0 HB3AMET A 239 -5.883 26.727 23.381 0.50 20.33 H new ATOM 0 HB3BMET A 239 -5.730 26.823 23.369 0.50 20.33 H new ATOM 0 HG2AMET A 239 -5.728 25.979 20.682 0.50 25.40 H new ATOM 0 HG2BMET A 239 -4.730 26.882 21.129 0.50 25.40 H new ATOM 0 HG3AMET A 239 -6.367 27.285 21.245 0.50 25.40 H new ATOM 0 HG3BMET A 239 -5.851 25.873 20.733 0.50 25.40 H new ATOM 0 HE1AMET A 239 -3.390 29.331 22.091 0.50 28.18 H new ATOM 0 HE1BMET A 239 -9.096 27.732 21.136 0.50 28.18 H new ATOM 0 HE2AMET A 239 -4.696 28.710 22.736 0.50 28.18 H new ATOM 0 HE2BMET A 239 -8.413 26.387 20.655 0.50 28.18 H new ATOM 0 HE3AMET A 239 -3.298 27.995 22.936 0.50 28.18 H new ATOM 0 HE3BMET A 239 -8.462 26.742 22.197 0.50 28.18 H new ATOM 1764 N ARG A 240 -5.120 24.034 25.210 1.00 14.21 N ANISOU 1764 N ARG A 240 1419 1931 2051 495 110 -140 N ATOM 1765 CA ARG A 240 -5.168 23.794 26.642 1.00 13.60 C ANISOU 1765 CA ARG A 240 1340 1870 1959 467 140 -184 C ATOM 1766 C ARG A 240 -3.799 23.314 27.098 1.00 13.65 C ANISOU 1766 C ARG A 240 1399 1836 1951 408 142 -178 C ATOM 1767 O ARG A 240 -3.327 23.744 28.147 1.00 13.92 O ANISOU 1767 O ARG A 240 1459 1842 1986 399 160 -207 O ATOM 1768 CB ARG A 240 -6.252 22.784 26.991 1.00 15.90 C ANISOU 1768 CB ARG A 240 1572 2249 2220 440 152 -200 C ATOM 1769 CG ARG A 240 -6.508 22.715 28.465 1.00 22.98 C ANISOU 1769 CG ARG A 240 2460 3172 3100 421 185 -246 C ATOM 1770 CD ARG A 240 -7.700 21.837 28.757 1.00 29.66 C ANISOU 1770 CD ARG A 240 3242 4109 3918 399 199 -262 C ATOM 1771 NE ARG A 240 -7.754 21.529 30.181 1.00 34.62 N ANISOU 1771 NE ARG A 240 3870 4765 4519 361 231 -298 N ATOM 1772 CZ ARG A 240 -8.342 20.452 30.689 1.00 53.01 C ANISOU 1772 CZ ARG A 240 6167 7163 6813 307 245 -304 C ATOM 1773 NH1 ARG A 240 -8.923 19.564 29.889 1.00 38.75 N ANISOU 1773 NH1 ARG A 240 4326 5402 4997 282 230 -280 N ATOM 1774 NH2 ARG A 240 -8.346 20.249 31.998 1.00 44.90 N ANISOU 1774 NH2 ARG A 240 5142 6160 5758 273 275 -333 N ATOM 0 H AARG A 240 -5.525 23.437 24.741 0.50 14.21 H new ATOM 0 H BARG A 240 -5.541 23.451 24.738 0.50 14.21 H new ATOM 0 HA ARG A 240 -5.392 24.617 27.104 1.00 13.60 H new ATOM 0 HB2 ARG A 240 -7.073 23.022 26.533 1.00 15.90 H new ATOM 0 HB3 ARG A 240 -5.991 21.907 26.668 1.00 15.90 H new ATOM 0 HG2 ARG A 240 -5.725 22.366 28.918 1.00 22.98 H new ATOM 0 HG3 ARG A 240 -6.664 23.607 28.813 1.00 22.98 H new ATOM 0 HD2 ARG A 240 -8.516 22.285 28.484 1.00 29.66 H new ATOM 0 HD3 ARG A 240 -7.641 21.017 28.243 1.00 29.66 H new ATOM 0 HE ARG A 240 -7.381 22.080 30.727 1.00 34.62 H new ATOM 0 HH11 ARG A 240 -8.919 19.685 29.038 1.00 38.75 H new ATOM 0 HH12 ARG A 240 -9.302 18.868 30.223 1.00 38.75 H new ATOM 0 HH21 ARG A 240 -7.967 20.816 32.522 1.00 44.90 H new ATOM 0 HH22 ARG A 240 -8.728 19.551 32.324 1.00 44.90 H new ATOM 1775 N ALA A 241 -3.137 22.446 26.312 1.00 12.15 N ANISOU 1775 N ALA A 241 1224 1644 1748 368 121 -143 N ATOM 1776 CA ALA A 241 -1.791 22.034 26.704 1.00 12.56 C ANISOU 1776 CA ALA A 241 1324 1658 1791 319 120 -136 C ATOM 1777 C ALA A 241 -0.850 23.253 26.698 1.00 13.72 C ANISOU 1777 C ALA A 241 1516 1731 1965 343 119 -135 C ATOM 1778 O ALA A 241 -0.052 23.417 27.630 1.00 12.43 O ANISOU 1778 O ALA A 241 1384 1541 1798 318 130 -154 O ATOM 1779 CB ALA A 241 -1.278 20.961 25.753 1.00 13.83 C ANISOU 1779 CB ALA A 241 1490 1826 1937 283 99 -102 C ATOM 0 H ALA A 241 -3.437 22.102 25.583 1.00 12.15 H new ATOM 0 HA ALA A 241 -1.818 21.665 27.601 1.00 12.56 H new ATOM 0 HB1 ALA A 241 -0.385 20.693 26.019 1.00 13.83 H new ATOM 0 HB2 ALA A 241 -1.869 20.192 25.783 1.00 13.83 H new ATOM 0 HB3 ALA A 241 -1.253 21.314 24.850 1.00 13.83 H new ATOM 1780 N LEU A 242 -0.942 24.117 25.691 1.00 11.72 N ANISOU 1780 N LEU A 242 1268 1446 1738 387 104 -111 N ATOM 1781 CA LEU A 242 -0.089 25.317 25.641 1.00 12.00 C ANISOU 1781 CA LEU A 242 1350 1406 1802 406 103 -106 C ATOM 1782 C LEU A 242 -0.299 26.187 26.878 1.00 13.57 C ANISOU 1782 C LEU A 242 1559 1582 2015 425 127 -154 C ATOM 1783 O LEU A 242 0.660 26.777 27.371 1.00 13.97 O ANISOU 1783 O LEU A 242 1652 1580 2076 409 133 -166 O ATOM 1784 CB LEU A 242 -0.371 26.161 24.393 1.00 12.82 C ANISOU 1784 CB LEU A 242 1456 1481 1932 456 84 -70 C ATOM 1785 CG LEU A 242 0.142 25.544 23.079 1.00 14.98 C ANISOU 1785 CG LEU A 242 1734 1765 2192 434 60 -22 C ATOM 1786 CD1 LEU A 242 -0.397 26.288 21.884 1.00 17.10 C ANISOU 1786 CD1 LEU A 242 1995 2023 2478 487 41 16 C ATOM 1787 CD2 LEU A 242 1.688 25.481 23.035 1.00 16.57 C ANISOU 1787 CD2 LEU A 242 1983 1923 2391 388 58 -8 C ATOM 0 H LEU A 242 -1.485 24.034 25.029 1.00 11.72 H new ATOM 0 HA LEU A 242 0.829 25.005 25.611 1.00 12.00 H new ATOM 0 HB2 LEU A 242 -1.328 26.301 24.320 1.00 12.82 H new ATOM 0 HB3 LEU A 242 0.035 27.034 24.508 1.00 12.82 H new ATOM 0 HG LEU A 242 -0.187 24.632 23.045 1.00 14.98 H new ATOM 0 HD11 LEU A 242 -0.060 25.881 21.070 1.00 17.10 H new ATOM 0 HD12 LEU A 242 -1.366 26.248 21.888 1.00 17.10 H new ATOM 0 HD13 LEU A 242 -0.112 27.214 21.924 1.00 17.10 H new ATOM 0 HD21 LEU A 242 1.972 25.088 22.195 1.00 16.57 H new ATOM 0 HD22 LEU A 242 2.051 26.377 23.111 1.00 16.57 H new ATOM 0 HD23 LEU A 242 2.011 24.938 23.771 1.00 16.57 H new ATOM 1788 N PHE A 243 -1.541 26.303 27.343 1.00 11.02 N ANISOU 1788 N PHE A 243 1195 1300 1693 460 142 -184 N ATOM 1789 CA PHE A 243 -1.861 27.075 28.540 1.00 11.29 C ANISOU 1789 CA PHE A 243 1232 1322 1736 482 168 -237 C ATOM 1790 C PHE A 243 -1.223 26.435 29.785 1.00 11.70 C ANISOU 1790 C PHE A 243 1298 1392 1755 421 185 -267 C ATOM 1791 O PHE A 243 -0.708 27.161 30.651 1.00 12.41 O ANISOU 1791 O PHE A 243 1419 1444 1851 418 200 -302 O ATOM 1792 CB PHE A 243 -3.385 27.116 28.673 1.00 12.45 C ANISOU 1792 CB PHE A 243 1321 1526 1884 529 180 -260 C ATOM 1793 CG PHE A 243 -3.843 27.713 29.979 1.00 11.69 C ANISOU 1793 CG PHE A 243 1217 1436 1789 549 213 -322 C ATOM 1794 CD1 PHE A 243 -3.802 29.086 30.185 1.00 13.46 C ANISOU 1794 CD1 PHE A 243 1469 1593 2052 601 221 -348 C ATOM 1795 CD2 PHE A 243 -4.328 26.903 30.995 1.00 13.55 C ANISOU 1795 CD2 PHE A 243 1420 1744 1986 513 235 -355 C ATOM 1796 CE1 PHE A 243 -4.225 29.638 31.405 1.00 15.06 C ANISOU 1796 CE1 PHE A 243 1665 1803 2254 620 253 -413 C ATOM 1797 CE2 PHE A 243 -4.755 27.454 32.204 1.00 14.81 C ANISOU 1797 CE2 PHE A 243 1571 1916 2141 530 268 -416 C ATOM 1798 CZ PHE A 243 -4.698 28.815 32.398 1.00 14.43 C ANISOU 1798 CZ PHE A 243 1548 1802 2131 584 277 -447 C ATOM 0 H PHE A 243 -2.223 25.935 26.971 1.00 11.02 H new ATOM 0 HA PHE A 243 -1.506 27.975 28.465 1.00 11.29 H new ATOM 0 HB2 PHE A 243 -3.755 27.631 27.939 1.00 12.45 H new ATOM 0 HB3 PHE A 243 -3.737 26.215 28.593 1.00 12.45 H new ATOM 0 HD1 PHE A 243 -3.492 29.645 29.509 1.00 13.46 H new ATOM 0 HD2 PHE A 243 -4.369 25.982 30.869 1.00 13.55 H new ATOM 0 HE1 PHE A 243 -4.185 30.557 31.540 1.00 15.06 H new ATOM 0 HE2 PHE A 243 -5.078 26.901 32.879 1.00 14.81 H new ATOM 0 HZ PHE A 243 -4.981 29.180 33.205 1.00 14.43 H new ATOM 1799 N LEU A 244 -1.255 25.092 29.886 1.00 11.06 N ANISOU 1799 N LEU A 244 1196 1369 1638 373 182 -253 N ATOM 1800 CA LEU A 244 -0.791 24.418 31.083 1.00 11.19 C ANISOU 1800 CA LEU A 244 1221 1410 1619 319 196 -276 C ATOM 1801 C LEU A 244 0.709 24.192 31.198 1.00 12.82 C ANISOU 1801 C LEU A 244 1475 1578 1818 273 184 -259 C ATOM 1802 O LEU A 244 1.244 24.188 32.319 1.00 12.23 O ANISOU 1802 O LEU A 244 1418 1505 1723 242 195 -286 O ATOM 1803 CB LEU A 244 -1.476 23.050 31.200 1.00 12.04 C ANISOU 1803 CB LEU A 244 1290 1592 1692 284 199 -266 C ATOM 1804 CG LEU A 244 -2.974 23.100 31.456 1.00 15.37 C ANISOU 1804 CG LEU A 244 1658 2074 2109 314 218 -293 C ATOM 1805 CD1 LEU A 244 -3.557 21.708 31.315 1.00 17.68 C ANISOU 1805 CD1 LEU A 244 1915 2432 2370 273 216 -274 C ATOM 1806 CD2 LEU A 244 -3.278 23.648 32.834 1.00 17.00 C ANISOU 1806 CD2 LEU A 244 1860 2297 2302 319 250 -347 C ATOM 0 H LEU A 244 -1.543 24.568 29.268 1.00 11.06 H new ATOM 0 HA LEU A 244 -1.024 25.029 31.799 1.00 11.19 H new ATOM 0 HB2 LEU A 244 -1.318 22.553 30.382 1.00 12.04 H new ATOM 0 HB3 LEU A 244 -1.055 22.553 31.919 1.00 12.04 H new ATOM 0 HG LEU A 244 -3.376 23.693 30.803 1.00 15.37 H new ATOM 0 HD11 LEU A 244 -4.513 21.739 31.478 1.00 17.68 H new ATOM 0 HD12 LEU A 244 -3.393 21.378 30.418 1.00 17.68 H new ATOM 0 HD13 LEU A 244 -3.139 21.115 31.959 1.00 17.68 H new ATOM 0 HD21 LEU A 244 -4.238 23.669 32.970 1.00 17.00 H new ATOM 0 HD22 LEU A 244 -2.869 23.080 33.506 1.00 17.00 H new ATOM 0 HD23 LEU A 244 -2.922 24.547 32.911 1.00 17.00 H new ATOM 1807 N ILE A 245 1.402 23.988 30.084 1.00 10.76 N ANISOU 1807 N ILE A 245 1230 1288 1570 267 160 -216 N ATOM 1808 CA ILE A 245 2.831 23.663 30.171 1.00 10.89 C ANISOU 1808 CA ILE A 245 1283 1277 1578 223 147 -200 C ATOM 1809 C ILE A 245 3.629 24.704 30.993 1.00 14.04 C ANISOU 1809 C ILE A 245 1717 1631 1986 218 157 -231 C ATOM 1810 O ILE A 245 4.448 24.297 31.823 1.00 13.57 O ANISOU 1810 O ILE A 245 1673 1580 1903 175 157 -240 O ATOM 1811 CB ILE A 245 3.394 23.440 28.747 1.00 11.86 C ANISOU 1811 CB ILE A 245 1414 1377 1714 224 124 -153 C ATOM 1812 CG1 ILE A 245 2.808 22.136 28.180 1.00 12.79 C ANISOU 1812 CG1 ILE A 245 1500 1546 1812 211 115 -130 C ATOM 1813 CG2 ILE A 245 4.940 23.342 28.778 1.00 12.92 C ANISOU 1813 CG2 ILE A 245 1584 1480 1846 186 113 -139 C ATOM 1814 CD1 ILE A 245 2.893 21.993 26.654 1.00 13.46 C ANISOU 1814 CD1 ILE A 245 1581 1623 1908 224 94 -91 C ATOM 0 H ILE A 245 1.080 24.030 29.287 1.00 10.76 H new ATOM 0 HA ILE A 245 2.935 22.835 30.666 1.00 10.89 H new ATOM 0 HB ILE A 245 3.146 24.192 28.187 1.00 11.86 H new ATOM 0 HG12 ILE A 245 3.270 21.386 28.587 1.00 12.79 H new ATOM 0 HG13 ILE A 245 1.877 22.074 28.445 1.00 12.79 H new ATOM 0 HG21 ILE A 245 5.274 23.202 27.878 1.00 12.92 H new ATOM 0 HG22 ILE A 245 5.309 24.165 29.136 1.00 12.92 H new ATOM 0 HG23 ILE A 245 5.206 22.597 29.340 1.00 12.92 H new ATOM 0 HD11 ILE A 245 2.502 21.147 26.386 1.00 13.46 H new ATOM 0 HD12 ILE A 245 2.408 22.720 26.233 1.00 13.46 H new ATOM 0 HD13 ILE A 245 3.822 22.022 26.377 1.00 13.46 H new ATOM 1815 N PRO A 246 3.460 26.012 30.805 1.00 12.02 N ANISOU 1815 N PRO A 246 1477 1326 1765 257 162 -246 N ATOM 1816 CA PRO A 246 4.270 26.952 31.609 1.00 13.68 C ANISOU 1816 CA PRO A 246 1725 1491 1984 244 171 -280 C ATOM 1817 C PRO A 246 3.900 27.010 33.088 1.00 15.37 C ANISOU 1817 C PRO A 246 1931 1736 2172 233 195 -335 C ATOM 1818 O PRO A 246 4.692 27.518 33.883 1.00 16.76 O ANISOU 1818 O PRO A 246 2137 1889 2343 207 200 -365 O ATOM 1819 CB PRO A 246 4.045 28.302 30.935 1.00 16.33 C ANISOU 1819 CB PRO A 246 2080 1760 2366 292 171 -280 C ATOM 1820 CG PRO A 246 3.463 27.973 29.543 1.00 18.69 C ANISOU 1820 CG PRO A 246 2356 2068 2676 324 154 -230 C ATOM 1821 CD PRO A 246 2.675 26.715 29.774 1.00 13.37 C ANISOU 1821 CD PRO A 246 1637 1473 1969 313 157 -229 C ATOM 0 HA PRO A 246 5.197 26.668 31.625 1.00 13.68 H new ATOM 0 HB2 PRO A 246 3.433 28.852 31.449 1.00 16.33 H new ATOM 0 HB3 PRO A 246 4.875 28.797 30.859 1.00 16.33 H new ATOM 0 HG2 PRO A 246 2.900 28.691 29.214 1.00 18.69 H new ATOM 0 HG3 PRO A 246 4.164 27.839 28.886 1.00 18.69 H new ATOM 0 HD2 PRO A 246 1.774 26.907 30.078 1.00 13.37 H new ATOM 0 HD3 PRO A 246 2.595 26.188 28.963 1.00 13.37 H new ATOM 1822 N ARG A 247 2.675 26.583 33.456 1.00 12.19 N ANISOU 1822 N ARG A 247 1490 1389 1753 253 210 -352 N ATOM 1823 CA ARG A 247 2.196 26.744 34.818 1.00 11.77 C ANISOU 1823 CA ARG A 247 1427 1370 1675 247 237 -407 C ATOM 1824 C ARG A 247 2.191 25.487 35.634 1.00 13.87 C ANISOU 1824 C ARG A 247 1675 1706 1889 198 241 -404 C ATOM 1825 O ARG A 247 2.223 25.580 36.864 1.00 15.53 O ANISOU 1825 O ARG A 247 1889 1943 2068 176 259 -446 O ATOM 1826 CB ARG A 247 0.813 27.408 34.828 1.00 13.26 C ANISOU 1826 CB ARG A 247 1585 1569 1883 308 258 -440 C ATOM 1827 CG ARG A 247 -0.235 26.706 34.008 1.00 14.26 C ANISOU 1827 CG ARG A 247 1666 1742 2010 332 252 -408 C ATOM 1828 CD ARG A 247 -1.583 27.438 34.096 1.00 14.01 C ANISOU 1828 CD ARG A 247 1598 1726 1999 396 273 -444 C ATOM 1829 NE ARG A 247 -1.528 28.835 33.628 1.00 15.51 N ANISOU 1829 NE ARG A 247 1815 1838 2240 454 271 -455 N ATOM 1830 CZ ARG A 247 -1.644 29.916 34.401 1.00 13.86 C ANISOU 1830 CZ ARG A 247 1623 1595 2049 483 293 -511 C ATOM 1831 NH1 ARG A 247 -1.782 29.795 35.713 1.00 15.34 N ANISOU 1831 NH1 ARG A 247 1802 1824 2201 459 320 -566 N ATOM 1832 NH2 ARG A 247 -1.610 31.132 33.868 1.00 17.61 N ANISOU 1832 NH2 ARG A 247 2125 1990 2574 536 288 -514 N ATOM 0 H ARG A 247 2.118 26.201 32.924 1.00 12.19 H new ATOM 0 HA ARG A 247 2.841 27.324 35.252 1.00 11.77 H new ATOM 0 HB2 ARG A 247 0.503 27.464 35.745 1.00 13.26 H new ATOM 0 HB3 ARG A 247 0.903 28.317 34.503 1.00 13.26 H new ATOM 0 HG2 ARG A 247 0.052 26.659 33.082 1.00 14.26 H new ATOM 0 HG3 ARG A 247 -0.337 25.793 34.320 1.00 14.26 H new ATOM 0 HD2 ARG A 247 -2.240 26.955 33.571 1.00 14.01 H new ATOM 0 HD3 ARG A 247 -1.890 27.425 35.016 1.00 14.01 H new ATOM 0 HE ARG A 247 -1.411 28.964 32.786 1.00 15.51 H new ATOM 0 HH11 ARG A 247 -1.797 29.014 36.074 1.00 15.34 H new ATOM 0 HH12 ARG A 247 -1.856 30.497 36.204 1.00 15.34 H new ATOM 0 HH21 ARG A 247 -1.513 31.227 33.019 1.00 17.61 H new ATOM 0 HH22 ARG A 247 -1.685 31.825 34.372 1.00 17.61 H new ATOM 1833 N ASN A 248 2.070 24.323 35.007 1.00 13.21 N ANISOU 1833 N ASN A 248 1573 1655 1793 180 226 -358 N ATOM 1834 CA ASN A 248 2.120 23.068 35.735 1.00 13.74 C ANISOU 1834 CA ASN A 248 1628 1779 1812 130 227 -348 C ATOM 1835 C ASN A 248 3.535 22.787 36.203 1.00 14.40 C ANISOU 1835 C ASN A 248 1748 1846 1878 86 212 -336 C ATOM 1836 O ASN A 248 4.499 23.226 35.568 1.00 13.26 O ANISOU 1836 O ASN A 248 1629 1649 1759 88 194 -320 O ATOM 1837 CB ASN A 248 1.672 21.912 34.842 1.00 13.46 C ANISOU 1837 CB ASN A 248 1569 1770 1774 123 214 -302 C ATOM 1838 CG ASN A 248 0.182 21.723 34.792 1.00 15.40 C ANISOU 1838 CG ASN A 248 1768 2067 2016 145 232 -315 C ATOM 1839 OD1 ASN A 248 -0.581 22.440 35.440 1.00 16.34 O ANISOU 1839 OD1 ASN A 248 1870 2206 2134 170 256 -358 O ATOM 1840 ND2 ASN A 248 -0.259 20.718 34.026 1.00 17.05 N ANISOU 1840 ND2 ASN A 248 1956 2302 2222 133 220 -279 N ATOM 0 H ASN A 248 1.958 24.241 34.158 1.00 13.21 H new ATOM 0 HA ASN A 248 1.526 23.144 36.498 1.00 13.74 H new ATOM 0 HB2 ASN A 248 2.000 22.064 33.942 1.00 13.46 H new ATOM 0 HB3 ASN A 248 2.083 21.092 35.159 1.00 13.46 H new ATOM 0 HD21 ASN A 248 -1.102 20.555 33.974 1.00 17.05 H new ATOM 0 HD22 ASN A 248 0.300 20.236 33.586 1.00 17.05 H new ATOM 1841 N PRO A 249 3.710 21.955 37.241 1.00 14.82 N ANISOU 1841 N PRO A 249 1800 1946 1885 43 215 -337 N ATOM 1842 CA PRO A 249 5.069 21.520 37.575 1.00 14.68 C ANISOU 1842 CA PRO A 249 1811 1918 1849 3 194 -317 C ATOM 1843 C PRO A 249 5.682 20.794 36.365 1.00 12.84 C ANISOU 1843 C PRO A 249 1582 1659 1638 1 167 -264 C ATOM 1844 O PRO A 249 4.971 20.237 35.525 1.00 14.15 O ANISOU 1844 O PRO A 249 1729 1833 1816 15 165 -240 O ATOM 1845 CB PRO A 249 4.841 20.523 38.728 1.00 17.79 C ANISOU 1845 CB PRO A 249 2197 2375 2189 -38 202 -315 C ATOM 1846 CG PRO A 249 3.499 20.886 39.301 1.00 23.29 C ANISOU 1846 CG PRO A 249 2866 3112 2872 -22 235 -355 C ATOM 1847 CD PRO A 249 2.698 21.303 38.108 1.00 18.12 C ANISOU 1847 CD PRO A 249 2190 2432 2263 26 237 -351 C ATOM 0 HA PRO A 249 5.667 22.246 37.810 1.00 14.68 H new ATOM 0 HB2 PRO A 249 4.849 19.608 38.407 1.00 17.79 H new ATOM 0 HB3 PRO A 249 5.539 20.595 39.397 1.00 17.79 H new ATOM 0 HG2 PRO A 249 3.092 20.133 39.757 1.00 23.29 H new ATOM 0 HG3 PRO A 249 3.572 21.604 39.949 1.00 23.29 H new ATOM 0 HD2 PRO A 249 2.284 20.543 37.669 1.00 18.12 H new ATOM 0 HD3 PRO A 249 1.984 21.914 38.350 1.00 18.12 H new ATOM 1848 N ALA A 250 6.988 20.790 36.286 1.00 12.42 N ANISOU 1848 N ALA A 250 1553 1580 1587 -17 147 -249 N ATOM 1849 CA ALA A 250 7.630 20.073 35.183 1.00 13.35 C ANISOU 1849 CA ALA A 250 1673 1677 1722 -19 123 -203 C ATOM 1850 C ALA A 250 7.175 18.622 35.191 1.00 13.63 C ANISOU 1850 C ALA A 250 1694 1748 1735 -36 118 -173 C ATOM 1851 O ALA A 250 7.014 18.014 36.258 1.00 13.55 O ANISOU 1851 O ALA A 250 1684 1777 1688 -63 124 -176 O ATOM 1852 CB ALA A 250 9.125 20.099 35.362 1.00 15.81 C ANISOU 1852 CB ALA A 250 2005 1972 2029 -42 103 -194 C ATOM 0 H ALA A 250 7.521 21.180 36.837 1.00 12.42 H new ATOM 0 HA ALA A 250 7.387 20.499 34.346 1.00 13.35 H new ATOM 0 HB1 ALA A 250 9.547 19.623 34.630 1.00 15.81 H new ATOM 0 HB2 ALA A 250 9.434 21.018 35.371 1.00 15.81 H new ATOM 0 HB3 ALA A 250 9.358 19.672 36.201 1.00 15.81 H new ATOM 1853 N PRO A 251 6.885 18.044 34.027 1.00 11.59 N ANISOU 1853 N PRO A 251 1426 1480 1497 -23 110 -145 N ATOM 1854 CA PRO A 251 6.440 16.648 34.008 1.00 11.24 C ANISOU 1854 CA PRO A 251 1372 1463 1434 -44 106 -119 C ATOM 1855 C PRO A 251 7.483 15.696 34.565 1.00 12.14 C ANISOU 1855 C PRO A 251 1505 1580 1527 -74 88 -94 C ATOM 1856 O PRO A 251 8.700 15.902 34.470 1.00 12.77 O ANISOU 1856 O PRO A 251 1600 1637 1614 -75 71 -87 O ATOM 1857 CB PRO A 251 6.250 16.343 32.519 1.00 12.89 C ANISOU 1857 CB PRO A 251 1571 1653 1672 -25 95 -97 C ATOM 1858 CG PRO A 251 6.065 17.695 31.875 1.00 16.27 C ANISOU 1858 CG PRO A 251 1997 2057 2130 12 101 -114 C ATOM 1859 CD PRO A 251 6.925 18.625 32.670 1.00 12.72 C ANISOU 1859 CD PRO A 251 1567 1588 1678 8 103 -135 C ATOM 0 HA PRO A 251 5.645 16.532 34.551 1.00 11.24 H new ATOM 0 HB2 PRO A 251 7.020 15.880 32.153 1.00 12.89 H new ATOM 0 HB3 PRO A 251 5.479 15.773 32.371 1.00 12.89 H new ATOM 0 HG2 PRO A 251 6.333 17.679 30.943 1.00 16.27 H new ATOM 0 HG3 PRO A 251 5.135 17.971 31.898 1.00 16.27 H new ATOM 0 HD2 PRO A 251 7.830 18.662 32.322 1.00 12.72 H new ATOM 0 HD3 PRO A 251 6.579 19.531 32.658 1.00 12.72 H new ATOM 1860 N ARG A 252 6.950 14.619 35.167 1.00 13.35 N ANISOU 1860 N ARG A 252 1656 1764 1653 -100 91 -79 N ATOM 1861 CA ARG A 252 7.772 13.530 35.687 1.00 13.99 C ANISOU 1861 CA ARG A 252 1755 1846 1713 -127 73 -48 C ATOM 1862 C ARG A 252 7.123 12.234 35.245 1.00 16.32 C ANISOU 1862 C ARG A 252 2048 2144 2009 -141 70 -21 C ATOM 1863 O ARG A 252 5.948 12.214 34.898 1.00 15.83 O ANISOU 1863 O ARG A 252 1966 2099 1951 -140 87 -31 O ATOM 1864 CB ARG A 252 7.837 13.601 37.229 1.00 17.27 C ANISOU 1864 CB ARG A 252 2179 2298 2085 -153 79 -57 C ATOM 1865 CG ARG A 252 8.461 14.888 37.779 1.00 21.07 C ANISOU 1865 CG ARG A 252 2665 2779 2563 -145 82 -92 C ATOM 1866 CD ARG A 252 9.960 14.943 37.523 1.00 24.35 C ANISOU 1866 CD ARG A 252 3094 3167 2990 -142 56 -77 C ATOM 1867 NE ARG A 252 10.559 16.150 38.083 1.00 29.60 N ANISOU 1867 NE ARG A 252 3763 3832 3650 -143 58 -112 N ATOM 1868 CZ ARG A 252 10.982 17.194 37.380 1.00 23.36 C ANISOU 1868 CZ ARG A 252 2974 3008 2892 -124 58 -131 C ATOM 1869 NH1 ARG A 252 11.533 18.228 37.994 1.00 30.76 N ANISOU 1869 NH1 ARG A 252 3920 3945 3824 -132 61 -164 N ATOM 1870 NH2 ARG A 252 10.878 17.203 36.048 1.00 23.28 N ANISOU 1870 NH2 ARG A 252 2958 2965 2921 -100 56 -117 N ATOM 0 H ARG A 252 6.105 14.507 35.281 1.00 13.35 H new ATOM 0 HA ARG A 252 8.680 13.591 35.352 1.00 13.99 H new ATOM 0 HB2 ARG A 252 6.939 13.513 37.584 1.00 17.27 H new ATOM 0 HB3 ARG A 252 8.346 12.843 37.555 1.00 17.27 H new ATOM 0 HG2 ARG A 252 8.034 15.656 37.368 1.00 21.07 H new ATOM 0 HG3 ARG A 252 8.293 14.947 38.733 1.00 21.07 H new ATOM 0 HD2 ARG A 252 10.384 14.161 37.911 1.00 24.35 H new ATOM 0 HD3 ARG A 252 10.127 14.912 36.568 1.00 24.35 H new ATOM 0 HE ARG A 252 10.645 16.188 38.938 1.00 29.60 H new ATOM 0 HH11 ARG A 252 11.618 18.225 38.850 1.00 30.76 H new ATOM 0 HH12 ARG A 252 11.807 18.903 37.537 1.00 30.76 H new ATOM 0 HH21 ARG A 252 10.535 16.529 35.639 1.00 23.28 H new ATOM 0 HH22 ARG A 252 11.154 17.883 35.600 1.00 23.28 H new ATOM 1871 N LEU A 253 7.883 11.137 35.301 1.00 14.46 N ANISOU 1871 N LEU A 253 1832 1894 1769 -155 50 12 N ATOM 1872 CA LEU A 253 7.272 9.834 35.032 1.00 14.65 C ANISOU 1872 CA LEU A 253 1860 1914 1792 -175 48 38 C ATOM 1873 C LEU A 253 6.254 9.562 36.145 1.00 18.82 C ANISOU 1873 C LEU A 253 2383 2485 2283 -210 68 37 C ATOM 1874 O LEU A 253 6.528 9.843 37.323 1.00 19.73 O ANISOU 1874 O LEU A 253 2506 2626 2366 -224 71 35 O ATOM 1875 CB LEU A 253 8.354 8.751 35.025 1.00 15.55 C ANISOU 1875 CB LEU A 253 2000 1999 1909 -179 22 73 C ATOM 1876 CG LEU A 253 9.351 8.865 33.881 1.00 16.12 C ANISOU 1876 CG LEU A 253 2074 2036 2017 -147 5 73 C ATOM 1877 CD1 LEU A 253 10.606 8.089 34.202 1.00 15.98 C ANISOU 1877 CD1 LEU A 253 2077 1998 1997 -144 -21 101 C ATOM 1878 CD2 LEU A 253 8.692 8.416 32.563 1.00 16.70 C ANISOU 1878 CD2 LEU A 253 2139 2092 2117 -140 9 70 C ATOM 0 H LEU A 253 8.723 11.123 35.486 1.00 14.46 H new ATOM 0 HA LEU A 253 6.833 9.829 34.167 1.00 14.65 H new ATOM 0 HB2 LEU A 253 8.837 8.787 35.865 1.00 15.55 H new ATOM 0 HB3 LEU A 253 7.926 7.882 34.981 1.00 15.55 H new ATOM 0 HG LEU A 253 9.616 9.791 33.767 1.00 16.12 H new ATOM 0 HD11 LEU A 253 11.233 8.169 33.466 1.00 15.98 H new ATOM 0 HD12 LEU A 253 11.009 8.444 35.010 1.00 15.98 H new ATOM 0 HD13 LEU A 253 10.383 7.154 34.336 1.00 15.98 H new ATOM 0 HD21 LEU A 253 9.333 8.491 31.839 1.00 16.70 H new ATOM 0 HD22 LEU A 253 8.402 7.494 32.644 1.00 16.70 H new ATOM 0 HD23 LEU A 253 7.925 8.980 32.376 1.00 16.70 H new ATOM 1879 N LYS A 254 5.089 9.103 35.768 1.00 17.10 N ANISOU 1879 N LYS A 254 2149 2280 2067 -225 83 36 N ATOM 1880 CA LYS A 254 4.016 8.852 36.741 1.00 18.15 C ANISOU 1880 CA LYS A 254 2272 2461 2164 -261 106 34 C ATOM 1881 C LYS A 254 4.285 7.682 37.680 1.00 22.56 C ANISOU 1881 C LYS A 254 2858 3021 2691 -303 98 74 C ATOM 1882 O LYS A 254 3.986 7.768 38.880 1.00 23.17 O ANISOU 1882 O LYS A 254 2937 3141 2727 -330 112 74 O ATOM 1883 CB LYS A 254 2.687 8.682 36.008 1.00 19.78 C ANISOU 1883 CB LYS A 254 2447 2687 2383 -268 123 21 C ATOM 1884 CG LYS A 254 2.225 9.938 35.253 1.00 28.95 C ANISOU 1884 CG LYS A 254 3576 3857 3569 -226 133 -17 C ATOM 1885 CD LYS A 254 0.940 9.669 34.487 1.00 39.96 C ANISOU 1885 CD LYS A 254 4937 5275 4973 -232 144 -26 C ATOM 1886 CE LYS A 254 0.328 10.928 33.925 1.00 54.21 C ANISOU 1886 CE LYS A 254 6705 7096 6795 -188 155 -61 C ATOM 1887 NZ LYS A 254 0.948 11.327 32.637 1.00 65.90 N ANISOU 1887 NZ LYS A 254 8192 8534 8312 -149 135 -58 N ATOM 0 H LYS A 254 4.882 8.924 34.953 1.00 17.10 H new ATOM 0 HA LYS A 254 3.976 9.630 37.319 1.00 18.15 H new ATOM 0 HB2 LYS A 254 2.767 7.948 35.378 1.00 19.78 H new ATOM 0 HB3 LYS A 254 2.004 8.432 36.650 1.00 19.78 H new ATOM 0 HG2 LYS A 254 2.086 10.664 35.881 1.00 28.95 H new ATOM 0 HG3 LYS A 254 2.919 10.224 34.638 1.00 28.95 H new ATOM 0 HD2 LYS A 254 1.122 9.050 33.763 1.00 39.96 H new ATOM 0 HD3 LYS A 254 0.301 9.237 35.075 1.00 39.96 H new ATOM 0 HE2 LYS A 254 -0.624 10.793 33.796 1.00 54.21 H new ATOM 0 HE3 LYS A 254 0.428 11.648 34.567 1.00 54.21 H new ATOM 0 HZ1 LYS A 254 0.561 12.071 32.339 1.00 65.90 H new ATOM 0 HZ2 LYS A 254 1.817 11.473 32.759 1.00 65.90 H new ATOM 0 HZ3 LYS A 254 0.838 10.676 32.040 1.00 65.90 H new ATOM 1888 N SER A 255 4.780 6.574 37.134 1.00 16.91 N ANISOU 1888 N SER A 255 2168 2262 1994 -309 76 107 N ATOM 1889 CA SER A 255 5.009 5.343 37.877 1.00 16.18 C ANISOU 1889 CA SER A 255 2108 2159 1880 -345 65 152 C ATOM 1890 C SER A 255 6.365 5.304 38.527 1.00 20.92 C ANISOU 1890 C SER A 255 2735 2744 2469 -331 40 175 C ATOM 1891 O SER A 255 7.353 5.775 37.945 1.00 19.91 O ANISOU 1891 O SER A 255 2608 2590 2368 -291 23 165 O ATOM 1892 CB SER A 255 4.861 4.163 36.925 1.00 15.60 C ANISOU 1892 CB SER A 255 2051 2039 1837 -355 54 173 C ATOM 1893 OG SER A 255 5.182 2.938 37.569 1.00 16.96 O ANISOU 1893 OG SER A 255 2262 2187 1995 -386 40 220 O ATOM 0 H SER A 255 4.996 6.518 36.303 1.00 16.91 H new ATOM 0 HA SER A 255 4.353 5.297 38.590 1.00 16.18 H new ATOM 0 HB2 SER A 255 3.951 4.126 36.591 1.00 15.60 H new ATOM 0 HB3 SER A 255 5.441 4.289 36.157 1.00 15.60 H new ATOM 0 HG SER A 255 4.493 2.624 37.933 1.00 16.96 H new ATOM 1894 N LYS A 256 6.426 4.709 39.730 1.00 20.20 N ANISOU 1894 N LYS A 256 2666 2673 2337 -365 37 209 N ATOM 1895 CA LYS A 256 7.676 4.512 40.433 1.00 21.08 C ANISOU 1895 CA LYS A 256 2803 2776 2432 -354 9 239 C ATOM 1896 C LYS A 256 8.288 3.177 40.003 1.00 19.72 C ANISOU 1896 C LYS A 256 2665 2544 2286 -349 -18 285 C ATOM 1897 O LYS A 256 9.318 2.796 40.556 1.00 22.24 O ANISOU 1897 O LYS A 256 3006 2852 2594 -338 -46 318 O ATOM 1898 CB LYS A 256 7.474 4.586 41.959 1.00 25.14 C ANISOU 1898 CB LYS A 256 3323 3345 2883 -390 18 254 C ATOM 0 H LYS A 256 5.736 4.413 40.150 1.00 20.20 H new ATOM 0 HA LYS A 256 8.292 5.225 40.201 1.00 21.08 H new ATOM 1899 N LYS A 257 7.715 2.489 38.969 1.00 15.72 N ANISOU 1899 N LYS A 257 2161 1997 1815 -354 -13 284 N ATOM 1900 CA LYS A 257 8.317 1.237 38.479 1.00 15.01 C ANISOU 1900 CA LYS A 257 2105 1843 1755 -344 -38 320 C ATOM 1901 C LYS A 257 9.646 1.492 37.779 1.00 16.25 C ANISOU 1901 C LYS A 257 2259 1968 1945 -288 -63 311 C ATOM 1902 O LYS A 257 10.487 0.598 37.699 1.00 17.78 O ANISOU 1902 O LYS A 257 2481 2117 2157 -270 -89 343 O ATOM 1903 CB LYS A 257 7.355 0.380 37.608 1.00 14.93 C ANISOU 1903 CB LYS A 257 2101 1799 1771 -370 -26 318 C ATOM 1904 CG LYS A 257 7.203 0.829 36.144 1.00 14.14 C ANISOU 1904 CG LYS A 257 1976 1684 1713 -341 -20 273 C ATOM 1905 CD LYS A 257 8.132 0.131 35.156 1.00 16.08 C ANISOU 1905 CD LYS A 257 2241 1866 2002 -305 -44 277 C ATOM 1906 CE LYS A 257 7.877 0.587 33.737 1.00 14.72 C ANISOU 1906 CE LYS A 257 2042 1689 1861 -283 -35 233 C ATOM 1907 NZ LYS A 257 8.723 -0.124 32.745 1.00 16.40 N ANISOU 1907 NZ LYS A 257 2273 1847 2113 -251 -54 232 N ATOM 0 H LYS A 257 7.000 2.733 38.558 1.00 15.72 H new ATOM 0 HA LYS A 257 8.495 0.702 39.268 1.00 15.01 H new ATOM 0 HB2 LYS A 257 7.668 -0.538 37.617 1.00 14.93 H new ATOM 0 HB3 LYS A 257 6.478 0.385 38.023 1.00 14.93 H new ATOM 0 HG2 LYS A 257 6.286 0.678 35.867 1.00 14.14 H new ATOM 0 HG3 LYS A 257 7.360 1.785 36.095 1.00 14.14 H new ATOM 0 HD2 LYS A 257 9.055 0.312 35.394 1.00 16.08 H new ATOM 0 HD3 LYS A 257 8.007 -0.829 35.216 1.00 16.08 H new ATOM 0 HE2 LYS A 257 6.942 0.446 33.519 1.00 14.72 H new ATOM 0 HE3 LYS A 257 8.043 1.541 33.673 1.00 14.72 H new ATOM 0 HZ1 LYS A 257 8.560 0.197 31.931 1.00 16.40 H new ATOM 0 HZ2 LYS A 257 9.582 -0.002 32.945 1.00 16.40 H new ATOM 0 HZ3 LYS A 257 8.536 -0.994 32.764 1.00 16.40 H new ATOM 1908 N TRP A 258 9.802 2.692 37.204 1.00 14.28 N ANISOU 1908 N TRP A 258 1977 1740 1708 -261 -54 267 N ATOM 1909 CA TRP A 258 10.989 3.088 36.462 1.00 13.64 C ANISOU 1909 CA TRP A 258 1887 1638 1657 -213 -73 253 C ATOM 1910 C TRP A 258 12.176 3.183 37.393 1.00 15.53 C ANISOU 1910 C TRP A 258 2135 1891 1876 -199 -97 277 C ATOM 1911 O TRP A 258 12.016 3.561 38.557 1.00 17.49 O ANISOU 1911 O TRP A 258 2383 2181 2082 -222 -94 284 O ATOM 1912 CB TRP A 258 10.747 4.437 35.796 1.00 13.10 C ANISOU 1912 CB TRP A 258 1784 1594 1600 -197 -55 206 C ATOM 1913 CG TRP A 258 9.590 4.438 34.836 1.00 12.32 C ANISOU 1913 CG TRP A 258 1672 1491 1520 -207 -34 182 C ATOM 1914 CD1 TRP A 258 8.361 4.994 35.050 1.00 14.15 C ANISOU 1914 CD1 TRP A 258 1883 1758 1734 -230 -8 162 C ATOM 1915 CD2 TRP A 258 9.541 3.843 33.532 1.00 11.14 C ANISOU 1915 CD2 TRP A 258 1525 1304 1406 -194 -38 176 C ATOM 1916 NE1 TRP A 258 7.553 4.793 33.959 1.00 12.74 N ANISOU 1916 NE1 TRP A 258 1693 1570 1579 -232 2 145 N ATOM 1917 CE2 TRP A 258 8.241 4.075 33.016 1.00 12.13 C ANISOU 1917 CE2 TRP A 258 1630 1447 1532 -212 -16 153 C ATOM 1918 CE3 TRP A 258 10.461 3.147 32.742 1.00 12.35 C ANISOU 1918 CE3 TRP A 258 1692 1413 1589 -166 -57 183 C ATOM 1919 CZ2 TRP A 258 7.858 3.662 31.733 1.00 11.86 C ANISOU 1919 CZ2 TRP A 258 1590 1391 1525 -208 -14 138 C ATOM 1920 CZ3 TRP A 258 10.082 2.741 31.469 1.00 12.77 C ANISOU 1920 CZ3 TRP A 258 1741 1443 1669 -161 -53 165 C ATOM 1921 CH2 TRP A 258 8.788 3.002 30.972 1.00 12.65 C ANISOU 1921 CH2 TRP A 258 1706 1448 1651 -184 -32 144 C ATOM 0 H TRP A 258 9.202 3.307 37.240 1.00 14.28 H new ATOM 0 HA TRP A 258 11.176 2.421 35.783 1.00 13.64 H new ATOM 0 HB2 TRP A 258 10.588 5.104 36.482 1.00 13.10 H new ATOM 0 HB3 TRP A 258 11.550 4.704 35.322 1.00 13.10 H new ATOM 0 HD1 TRP A 258 8.108 5.444 35.824 1.00 14.15 H new ATOM 0 HE1 TRP A 258 6.744 5.073 33.880 1.00 12.74 H new ATOM 0 HE3 TRP A 258 11.313 2.959 33.064 1.00 12.35 H new ATOM 0 HZ2 TRP A 258 7.003 3.830 31.409 1.00 11.86 H new ATOM 0 HZ3 TRP A 258 10.693 2.288 30.934 1.00 12.77 H new ATOM 0 HH2 TRP A 258 8.562 2.722 30.114 1.00 12.65 H new ATOM 1922 N SER A 259 13.375 2.935 36.867 1.00 13.97 N ANISOU 1922 N SER A 259 1939 1665 1706 -160 -122 283 N ATOM 1923 CA SER A 259 14.573 3.053 37.698 1.00 13.97 C ANISOU 1923 CA SER A 259 1938 1683 1686 -143 -148 304 C ATOM 1924 C SER A 259 14.716 4.485 38.192 1.00 15.06 C ANISOU 1924 C SER A 259 2050 1874 1799 -149 -139 271 C ATOM 1925 O SER A 259 14.286 5.451 37.544 1.00 14.95 O ANISOU 1925 O SER A 259 2015 1868 1798 -148 -117 230 O ATOM 1926 CB SER A 259 15.816 2.640 36.916 1.00 14.69 C ANISOU 1926 CB SER A 259 2025 1741 1814 -96 -172 308 C ATOM 1927 OG SER A 259 16.141 3.621 35.928 1.00 14.32 O ANISOU 1927 OG SER A 259 1949 1702 1791 -76 -162 265 O ATOM 0 H SER A 259 13.516 2.703 36.051 1.00 13.97 H new ATOM 0 HA SER A 259 14.483 2.459 38.460 1.00 13.97 H new ATOM 0 HB2 SER A 259 16.563 2.527 37.524 1.00 14.69 H new ATOM 0 HB3 SER A 259 15.665 1.782 36.489 1.00 14.69 H new ATOM 0 HG SER A 259 16.033 3.294 35.162 1.00 14.32 H new ATOM 1928 N LYS A 260 15.406 4.635 39.334 1.00 16.55 N ANISOU 1928 N LYS A 260 2241 2098 1951 -155 -158 290 N ATOM 1929 CA LYS A 260 15.666 5.980 39.849 1.00 16.02 C ANISOU 1929 CA LYS A 260 2150 2077 1859 -163 -151 255 C ATOM 1930 C LYS A 260 16.569 6.739 38.865 1.00 15.44 C ANISOU 1930 C LYS A 260 2052 1993 1822 -131 -156 224 C ATOM 1931 O LYS A 260 16.417 7.936 38.722 1.00 16.40 O ANISOU 1931 O LYS A 260 2156 2131 1943 -137 -138 184 O ATOM 1932 CB LYS A 260 16.328 5.915 41.251 1.00 19.64 C ANISOU 1932 CB LYS A 260 2615 2580 2268 -176 -175 281 C ATOM 1933 CG LYS A 260 15.505 5.179 42.306 1.00 31.98 C ANISOU 1933 CG LYS A 260 4204 4160 3787 -212 -170 317 C ATOM 1934 CD LYS A 260 14.413 6.042 42.927 1.00 46.91 C ANISOU 1934 CD LYS A 260 6087 6094 5642 -249 -136 282 C ATOM 0 H LYS A 260 15.721 3.991 39.809 1.00 16.55 H new ATOM 0 HA LYS A 260 14.823 6.451 39.939 1.00 16.02 H new ATOM 0 HB2 LYS A 260 17.191 5.480 41.169 1.00 19.64 H new ATOM 0 HB3 LYS A 260 16.494 6.819 41.560 1.00 19.64 H new ATOM 0 HG2 LYS A 260 15.099 4.396 41.903 1.00 31.98 H new ATOM 0 HG3 LYS A 260 16.097 4.863 43.007 1.00 31.98 H new ATOM 1935 N LYS A 261 17.476 6.034 38.171 1.00 15.13 N ANISOU 1935 N LYS A 261 2011 1923 1813 -98 -177 242 N ATOM 1936 CA LYS A 261 18.366 6.593 37.153 1.00 14.67 C ANISOU 1936 CA LYS A 261 1928 1857 1789 -69 -181 217 C ATOM 1937 C LYS A 261 17.523 7.271 36.009 1.00 14.57 C ANISOU 1937 C LYS A 261 1907 1824 1804 -71 -150 181 C ATOM 1938 O LYS A 261 17.795 8.396 35.584 1.00 13.17 O ANISOU 1938 O LYS A 261 1710 1658 1635 -69 -140 150 O ATOM 1939 CB LYS A 261 19.201 5.429 36.592 1.00 19.04 C ANISOU 1939 CB LYS A 261 2485 2378 2371 -32 -204 245 C ATOM 1940 CG LYS A 261 20.171 5.767 35.507 1.00 26.80 C ANISOU 1940 CG LYS A 261 3441 3354 3387 -1 -208 224 C ATOM 1941 CD LYS A 261 21.097 4.590 35.254 1.00 23.85 C ANISOU 1941 CD LYS A 261 3070 2959 3035 39 -234 251 C ATOM 1942 CE LYS A 261 20.516 3.515 34.376 1.00 26.38 C ANISOU 1942 CE LYS A 261 3413 3224 3387 54 -226 257 C ATOM 1943 NZ LYS A 261 21.590 2.601 33.923 1.00 34.75 N ANISOU 1943 NZ LYS A 261 4468 4263 4475 101 -249 271 N ATOM 0 H LYS A 261 17.590 5.190 38.288 1.00 15.13 H new ATOM 0 HA LYS A 261 18.943 7.273 37.533 1.00 14.67 H new ATOM 0 HB2 LYS A 261 19.693 5.027 37.325 1.00 19.04 H new ATOM 0 HB3 LYS A 261 18.592 4.753 36.255 1.00 19.04 H new ATOM 0 HG2 LYS A 261 19.693 5.993 34.694 1.00 26.80 H new ATOM 0 HG3 LYS A 261 20.689 6.548 35.757 1.00 26.80 H new ATOM 0 HD2 LYS A 261 21.914 4.918 34.847 1.00 23.85 H new ATOM 0 HD3 LYS A 261 21.343 4.198 36.106 1.00 23.85 H new ATOM 0 HE2 LYS A 261 19.841 3.018 34.864 1.00 26.38 H new ATOM 0 HE3 LYS A 261 20.076 3.915 33.610 1.00 26.38 H new ATOM 0 HZ1 LYS A 261 21.751 2.738 33.058 1.00 34.75 H new ATOM 0 HZ2 LYS A 261 22.331 2.758 34.391 1.00 34.75 H new ATOM 0 HZ3 LYS A 261 21.334 1.758 34.047 1.00 34.75 H new ATOM 1944 N PHE A 262 16.486 6.570 35.504 1.00 12.18 N ANISOU 1944 N PHE A 262 1621 1494 1515 -76 -135 187 N ATOM 1945 CA PHE A 262 15.664 7.131 34.441 1.00 10.91 C ANISOU 1945 CA PHE A 262 1449 1320 1375 -76 -110 157 C ATOM 1946 C PHE A 262 14.831 8.306 34.987 1.00 11.68 C ANISOU 1946 C PHE A 262 1538 1447 1451 -99 -88 131 C ATOM 1947 O PHE A 262 14.736 9.340 34.329 1.00 11.90 O ANISOU 1947 O PHE A 262 1551 1475 1494 -91 -75 102 O ATOM 1948 CB PHE A 262 14.810 6.026 33.806 1.00 10.81 C ANISOU 1948 CB PHE A 262 1452 1275 1379 -78 -104 169 C ATOM 1949 CG PHE A 262 13.928 6.454 32.671 1.00 10.21 C ANISOU 1949 CG PHE A 262 1365 1191 1324 -78 -82 142 C ATOM 1950 CD1 PHE A 262 14.322 7.455 31.789 1.00 11.38 C ANISOU 1950 CD1 PHE A 262 1492 1343 1488 -60 -76 117 C ATOM 1951 CD2 PHE A 262 12.718 5.828 32.450 1.00 10.91 C ANISOU 1951 CD2 PHE A 262 1462 1270 1413 -98 -69 144 C ATOM 1952 CE1 PHE A 262 13.515 7.815 30.721 1.00 10.68 C ANISOU 1952 CE1 PHE A 262 1393 1250 1416 -57 -59 97 C ATOM 1953 CE2 PHE A 262 11.917 6.179 31.365 1.00 11.49 C ANISOU 1953 CE2 PHE A 262 1522 1342 1503 -95 -52 120 C ATOM 1954 CZ PHE A 262 12.305 7.191 30.522 1.00 9.68 C ANISOU 1954 CZ PHE A 262 1272 1117 1288 -73 -48 98 C ATOM 0 H PHE A 262 16.255 5.784 35.765 1.00 12.18 H new ATOM 0 HA PHE A 262 16.224 7.491 33.736 1.00 10.91 H new ATOM 0 HB2 PHE A 262 15.401 5.326 33.488 1.00 10.81 H new ATOM 0 HB3 PHE A 262 14.253 5.634 34.497 1.00 10.81 H new ATOM 0 HD1 PHE A 262 15.135 7.887 31.917 1.00 11.38 H new ATOM 0 HD2 PHE A 262 12.433 5.162 33.034 1.00 10.91 H new ATOM 0 HE1 PHE A 262 13.793 8.482 30.136 1.00 10.68 H new ATOM 0 HE2 PHE A 262 11.119 5.727 31.212 1.00 11.49 H new ATOM 0 HZ PHE A 262 11.753 7.453 29.821 1.00 9.68 H new ATOM 1955 N GLN A 263 14.262 8.141 36.199 1.00 12.85 N ANISOU 1955 N GLN A 263 1698 1620 1564 -126 -84 141 N ATOM 1956 CA GLN A 263 13.508 9.250 36.813 1.00 13.77 C ANISOU 1956 CA GLN A 263 1806 1768 1658 -145 -62 111 C ATOM 1957 C GLN A 263 14.380 10.505 36.925 1.00 14.42 C ANISOU 1957 C GLN A 263 1875 1863 1741 -137 -65 83 C ATOM 1958 O GLN A 263 13.943 11.610 36.577 1.00 14.39 O ANISOU 1958 O GLN A 263 1861 1859 1749 -134 -46 50 O ATOM 1959 CB GLN A 263 13.038 8.852 38.206 1.00 15.92 C ANISOU 1959 CB GLN A 263 2092 2073 1885 -176 -60 127 C ATOM 1960 CG GLN A 263 11.955 7.768 38.177 1.00 17.95 C ANISOU 1960 CG GLN A 263 2362 2321 2138 -195 -49 151 C ATOM 1961 CD GLN A 263 11.601 7.377 39.592 1.00 23.28 C ANISOU 1961 CD GLN A 263 3050 3033 2763 -229 -48 172 C ATOM 1962 OE1 GLN A 263 11.320 8.236 40.449 1.00 27.14 O ANISOU 1962 OE1 GLN A 263 3530 3564 3218 -245 -33 148 O ATOM 1963 NE2 GLN A 263 11.638 6.095 39.875 1.00 19.23 N ANISOU 1963 NE2 GLN A 263 2560 2503 2241 -242 -62 218 N ATOM 0 H GLN A 263 14.300 7.420 36.666 1.00 12.85 H new ATOM 0 HA GLN A 263 12.744 9.442 36.247 1.00 13.77 H new ATOM 0 HB2 GLN A 263 13.796 8.533 38.720 1.00 15.92 H new ATOM 0 HB3 GLN A 263 12.694 9.635 38.663 1.00 15.92 H new ATOM 0 HG2 GLN A 263 11.168 8.095 37.714 1.00 17.95 H new ATOM 0 HG3 GLN A 263 12.271 6.994 37.686 1.00 17.95 H new ATOM 0 HE21 GLN A 263 11.835 5.525 39.262 1.00 19.23 H new ATOM 0 HE22 GLN A 263 11.465 5.826 40.673 1.00 19.23 H new ATOM 1964 N SER A 264 15.647 10.303 37.304 1.00 14.93 N ANISOU 1964 N SER A 264 1940 1936 1798 -132 -91 99 N ATOM 1965 CA SER A 264 16.631 11.379 37.428 1.00 15.23 C ANISOU 1965 CA SER A 264 1963 1987 1835 -131 -98 75 C ATOM 1966 C SER A 264 16.947 12.023 36.071 1.00 15.21 C ANISOU 1966 C SER A 264 1948 1957 1875 -111 -91 57 C ATOM 1967 O SER A 264 17.061 13.253 35.957 1.00 15.29 O ANISOU 1967 O SER A 264 1951 1968 1891 -116 -80 26 O ATOM 1968 CB SER A 264 17.893 10.822 38.069 1.00 17.33 C ANISOU 1968 CB SER A 264 2227 2274 2084 -128 -131 101 C ATOM 1969 OG SER A 264 18.946 11.773 38.031 1.00 20.17 O ANISOU 1969 OG SER A 264 2568 2648 2446 -129 -140 78 O ATOM 0 H SER A 264 15.960 9.526 37.498 1.00 14.93 H new ATOM 0 HA SER A 264 16.259 12.078 37.989 1.00 15.23 H new ATOM 0 HB2 SER A 264 17.710 10.574 38.989 1.00 17.33 H new ATOM 0 HB3 SER A 264 18.165 10.014 37.606 1.00 17.33 H new ATOM 0 HG SER A 264 19.675 11.390 38.196 1.00 20.17 H new ATOM 1970 N PHE A 265 17.047 11.220 34.995 1.00 12.92 N ANISOU 1970 N PHE A 265 1656 1640 1613 -89 -96 75 N ATOM 1971 CA PHE A 265 17.302 11.778 33.685 1.00 11.73 C ANISOU 1971 CA PHE A 265 1493 1468 1496 -72 -88 61 C ATOM 1972 C PHE A 265 16.155 12.713 33.265 1.00 13.46 C ANISOU 1972 C PHE A 265 1713 1677 1724 -76 -61 36 C ATOM 1973 O PHE A 265 16.386 13.799 32.725 1.00 13.70 O ANISOU 1973 O PHE A 265 1737 1699 1770 -74 -53 17 O ATOM 1974 CB PHE A 265 17.461 10.627 32.664 1.00 13.17 C ANISOU 1974 CB PHE A 265 1675 1627 1702 -49 -95 81 C ATOM 1975 CG PHE A 265 17.572 11.119 31.254 1.00 11.71 C ANISOU 1975 CG PHE A 265 1478 1426 1545 -34 -85 67 C ATOM 1976 CD1 PHE A 265 18.728 11.744 30.808 1.00 13.74 C ANISOU 1976 CD1 PHE A 265 1718 1691 1812 -29 -90 60 C ATOM 1977 CD2 PHE A 265 16.516 10.956 30.355 1.00 13.35 C ANISOU 1977 CD2 PHE A 265 1689 1616 1766 -29 -69 63 C ATOM 1978 CE1 PHE A 265 18.800 12.254 29.510 1.00 14.08 C ANISOU 1978 CE1 PHE A 265 1751 1722 1876 -19 -78 51 C ATOM 1979 CE2 PHE A 265 16.607 11.446 29.053 1.00 15.52 C ANISOU 1979 CE2 PHE A 265 1953 1882 2061 -16 -60 53 C ATOM 1980 CZ PHE A 265 17.763 12.064 28.629 1.00 14.36 C ANISOU 1980 CZ PHE A 265 1793 1741 1923 -12 -65 49 C ATOM 0 H PHE A 265 16.969 10.364 35.016 1.00 12.92 H new ATOM 0 HA PHE A 265 18.120 12.299 33.712 1.00 11.73 H new ATOM 0 HB2 PHE A 265 18.251 10.110 32.886 1.00 13.17 H new ATOM 0 HB3 PHE A 265 16.701 10.029 32.735 1.00 13.17 H new ATOM 0 HD1 PHE A 265 19.459 11.824 31.377 1.00 13.74 H new ATOM 0 HD2 PHE A 265 15.744 10.516 30.628 1.00 13.35 H new ATOM 0 HE1 PHE A 265 19.555 12.725 29.240 1.00 14.08 H new ATOM 0 HE2 PHE A 265 15.887 11.356 28.471 1.00 15.52 H new ATOM 0 HZ PHE A 265 17.841 12.352 27.748 1.00 14.36 H new ATOM 1981 N ILE A 266 14.900 12.272 33.467 1.00 12.12 N ANISOU 1981 N ILE A 266 1551 1507 1545 -82 -48 38 N ATOM 1982 CA ILE A 266 13.740 13.094 33.091 1.00 12.46 C ANISOU 1982 CA ILE A 266 1591 1546 1598 -80 -24 16 C ATOM 1983 C ILE A 266 13.764 14.402 33.917 1.00 14.32 C ANISOU 1983 C ILE A 266 1826 1794 1821 -90 -14 -13 C ATOM 1984 O ILE A 266 13.546 15.478 33.349 1.00 13.90 O ANISOU 1984 O ILE A 266 1770 1725 1787 -80 -2 -34 O ATOM 1985 CB ILE A 266 12.432 12.308 33.329 1.00 12.73 C ANISOU 1985 CB ILE A 266 1627 1588 1620 -89 -13 23 C ATOM 1986 CG1 ILE A 266 12.319 11.079 32.399 1.00 12.10 C ANISOU 1986 CG1 ILE A 266 1550 1490 1556 -81 -21 46 C ATOM 1987 CG2 ILE A 266 11.202 13.228 33.237 1.00 12.94 C ANISOU 1987 CG2 ILE A 266 1644 1622 1649 -86 12 -3 C ATOM 1988 CD1 ILE A 266 12.371 11.404 30.935 1.00 13.27 C ANISOU 1988 CD1 ILE A 266 1688 1619 1734 -60 -19 39 C ATOM 0 H ILE A 266 14.704 11.511 33.815 1.00 12.12 H new ATOM 0 HA ILE A 266 13.783 13.316 32.148 1.00 12.46 H new ATOM 0 HB ILE A 266 12.460 11.962 34.235 1.00 12.73 H new ATOM 0 HG12 ILE A 266 13.037 10.462 32.608 1.00 12.10 H new ATOM 0 HG13 ILE A 266 11.486 10.619 32.588 1.00 12.10 H new ATOM 0 HG21 ILE A 266 10.397 12.709 33.390 1.00 12.94 H new ATOM 0 HG22 ILE A 266 11.269 13.926 33.908 1.00 12.94 H new ATOM 0 HG23 ILE A 266 11.164 13.630 32.355 1.00 12.94 H new ATOM 0 HD11 ILE A 266 12.295 10.586 30.419 1.00 13.27 H new ATOM 0 HD12 ILE A 266 11.638 11.998 30.709 1.00 13.27 H new ATOM 0 HD13 ILE A 266 13.214 11.838 30.729 1.00 13.27 H new ATOM 1989 N GLU A 267 14.053 14.297 35.218 1.00 13.36 N ANISOU 1989 N GLU A 267 1710 1698 1666 -110 -20 -15 N ATOM 1990 CA GLU A 267 14.160 15.482 36.096 1.00 15.15 C ANISOU 1990 CA GLU A 267 1940 1940 1878 -124 -11 -49 C ATOM 1991 C GLU A 267 15.237 16.450 35.545 1.00 21.13 C ANISOU 1991 C GLU A 267 2695 2677 2658 -121 -18 -62 C ATOM 1992 O GLU A 267 15.089 17.663 35.671 1.00 21.04 O ANISOU 1992 O GLU A 267 2686 2654 2653 -125 -5 -94 O ATOM 1993 CB GLU A 267 14.504 15.052 37.524 1.00 16.84 C ANISOU 1993 CB GLU A 267 2161 2192 2048 -149 -23 -44 C ATOM 1994 CG GLU A 267 14.495 16.183 38.546 1.00 28.90 C ANISOU 1994 CG GLU A 267 3691 3740 3551 -167 -12 -84 C ATOM 0 H GLU A 267 14.192 13.548 35.618 1.00 13.36 H new ATOM 0 HA GLU A 267 13.307 15.943 36.112 1.00 15.15 H new ATOM 0 HB2 GLU A 267 13.872 14.372 37.806 1.00 16.84 H new ATOM 0 HB3 GLU A 267 15.382 14.640 37.523 1.00 16.84 H new ATOM 1995 N SER A 268 16.298 15.929 34.901 1.00 17.58 N ANISOU 1995 N SER A 268 2237 2221 2220 -114 -38 -39 N ATOM 1996 CA SER A 268 17.384 16.749 34.336 1.00 17.49 C ANISOU 1996 CA SER A 268 2219 2198 2229 -117 -44 -47 C ATOM 1997 C SER A 268 17.017 17.485 33.038 1.00 24.16 C ANISOU 1997 C SER A 268 3064 3007 3108 -101 -28 -53 C ATOM 1998 O SER A 268 17.394 18.655 32.928 1.00 25.38 O ANISOU 1998 O SER A 268 3222 3147 3275 -111 -22 -72 O ATOM 1999 CB SER A 268 18.645 15.901 34.166 1.00 22.56 C ANISOU 1999 CB SER A 268 2848 2855 2869 -114 -69 -22 C ATOM 2000 OG SER A 268 19.032 15.385 35.433 1.00 23.85 O ANISOU 2000 OG SER A 268 3012 3053 2999 -128 -86 -16 O ATOM 0 H SER A 268 16.406 15.084 34.781 1.00 17.58 H new ATOM 0 HA SER A 268 17.553 17.457 34.977 1.00 17.49 H new ATOM 0 HB2 SER A 268 18.479 15.174 33.545 1.00 22.56 H new ATOM 0 HB3 SER A 268 19.361 16.437 33.790 1.00 22.56 H new ATOM 0 HG SER A 268 18.510 14.766 35.655 1.00 23.85 H new ATOM 2001 N CYS A 269 16.333 16.856 32.050 1.00 15.39 N ANISOU 2001 N CYS A 269 1950 1883 2014 -79 -23 -35 N ATOM 2002 CA CYS A 269 15.923 17.518 30.792 1.00 15.00 C ANISOU 2002 CA CYS A 269 1901 1807 1992 -63 -11 -35 C ATOM 2003 C CYS A 269 14.845 18.513 31.171 1.00 17.51 C ANISOU 2003 C CYS A 269 2228 2112 2313 -60 8 -59 C ATOM 2004 O CYS A 269 14.769 19.565 30.540 1.00 18.26 O ANISOU 2004 O CYS A 269 2329 2180 2430 -53 17 -66 O ATOM 2005 CB CYS A 269 15.394 16.585 29.662 1.00 15.26 C ANISOU 2005 CB CYS A 269 1926 1835 2036 -43 -11 -13 C ATOM 2006 SG CYS A 269 16.419 15.181 29.213 1.00 18.35 S ANISOU 2006 SG CYS A 269 2308 2238 2426 -38 -31 10 S ATOM 0 H CYS A 269 16.096 16.031 32.097 1.00 15.39 H new ATOM 0 HA CYS A 269 16.718 17.918 30.407 1.00 15.00 H new ATOM 0 HB2 CYS A 269 14.525 16.249 29.931 1.00 15.26 H new ATOM 0 HB3 CYS A 269 15.256 17.123 28.867 1.00 15.26 H new ATOM 0 HG CYS A 269 15.884 14.559 28.337 1.00 18.35 H new ATOM 2007 N LEU A 270 13.880 18.106 32.033 1.00 11.91 N ANISOU 2007 N LEU A 270 1520 1421 1585 -61 15 -68 N ATOM 2008 CA LEU A 270 12.692 18.877 32.177 1.00 11.12 C ANISOU 2008 CA LEU A 270 1422 1314 1491 -48 35 -90 C ATOM 2009 C LEU A 270 12.766 19.877 33.295 1.00 12.46 C ANISOU 2009 C LEU A 270 1602 1483 1649 -62 45 -126 C ATOM 2010 O LEU A 270 12.008 19.821 34.257 1.00 16.09 O ANISOU 2010 O LEU A 270 2060 1966 2087 -66 57 -145 O ATOM 2011 CB LEU A 270 11.469 17.967 32.273 1.00 10.69 C ANISOU 2011 CB LEU A 270 1356 1281 1423 -41 43 -83 C ATOM 2012 CG LEU A 270 11.267 17.039 31.055 1.00 10.31 C ANISOU 2012 CG LEU A 270 1299 1229 1388 -29 35 -54 C ATOM 2013 CD1 LEU A 270 10.006 16.225 31.225 1.00 11.74 C ANISOU 2013 CD1 LEU A 270 1470 1433 1558 -29 43 -52 C ATOM 2014 CD2 LEU A 270 11.125 17.839 29.761 1.00 11.93 C ANISOU 2014 CD2 LEU A 270 1502 1409 1623 -5 38 -51 C ATOM 0 H LEU A 270 13.921 17.398 32.520 1.00 11.91 H new ATOM 0 HA LEU A 270 12.598 19.413 31.374 1.00 11.12 H new ATOM 0 HB2 LEU A 270 11.547 17.422 33.072 1.00 10.69 H new ATOM 0 HB3 LEU A 270 10.678 18.517 32.381 1.00 10.69 H new ATOM 0 HG LEU A 270 12.048 16.466 31.002 1.00 10.31 H new ATOM 0 HD11 LEU A 270 9.888 15.646 30.456 1.00 11.74 H new ATOM 0 HD12 LEU A 270 10.075 15.685 32.028 1.00 11.74 H new ATOM 0 HD13 LEU A 270 9.244 16.820 31.301 1.00 11.74 H new ATOM 0 HD21 LEU A 270 11.000 17.230 29.016 1.00 11.93 H new ATOM 0 HD22 LEU A 270 10.358 18.430 29.828 1.00 11.93 H new ATOM 0 HD23 LEU A 270 11.927 18.366 29.616 1.00 11.93 H new ATOM 2015 N VAL A 271 13.691 20.784 33.161 1.00 9.96 N ANISOU 2015 N VAL A 271 1295 1143 1346 -71 41 -136 N ATOM 2016 CA VAL A 271 13.839 21.945 34.041 1.00 10.11 C ANISOU 2016 CA VAL A 271 1328 1151 1361 -85 51 -176 C ATOM 2017 C VAL A 271 13.079 23.074 33.336 1.00 11.58 C ANISOU 2017 C VAL A 271 1524 1293 1583 -58 67 -189 C ATOM 2018 O VAL A 271 13.439 23.457 32.218 1.00 10.17 O ANISOU 2018 O VAL A 271 1350 1083 1432 -49 63 -168 O ATOM 2019 CB VAL A 271 15.325 22.278 34.255 1.00 11.41 C ANISOU 2019 CB VAL A 271 1498 1314 1523 -117 35 -178 C ATOM 2020 CG1 VAL A 271 15.457 23.541 35.113 1.00 11.92 C ANISOU 2020 CG1 VAL A 271 1580 1363 1586 -135 46 -225 C ATOM 2021 CG2 VAL A 271 16.052 21.097 34.913 1.00 13.33 C ANISOU 2021 CG2 VAL A 271 1729 1604 1733 -135 15 -160 C ATOM 0 H VAL A 271 14.281 20.755 32.536 1.00 9.96 H new ATOM 0 HA VAL A 271 13.483 21.790 34.930 1.00 10.11 H new ATOM 0 HB VAL A 271 15.738 22.442 33.393 1.00 11.41 H new ATOM 0 HG11 VAL A 271 16.396 23.746 35.245 1.00 11.92 H new ATOM 0 HG12 VAL A 271 15.024 24.284 34.664 1.00 11.92 H new ATOM 0 HG13 VAL A 271 15.035 23.393 35.974 1.00 11.92 H new ATOM 0 HG21 VAL A 271 16.987 21.323 35.041 1.00 13.33 H new ATOM 0 HG22 VAL A 271 15.646 20.905 35.773 1.00 13.33 H new ATOM 0 HG23 VAL A 271 15.984 20.316 34.342 1.00 13.33 H new ATOM 2022 N LYS A 272 12.062 23.645 34.002 1.00 10.21 N ANISOU 2022 N LYS A 272 1354 1117 1407 -44 87 -223 N ATOM 2023 CA LYS A 272 11.269 24.659 33.343 1.00 10.04 C ANISOU 2023 CA LYS A 272 1341 1054 1421 -9 101 -233 C ATOM 2024 C LYS A 272 12.065 25.896 33.015 1.00 12.19 C ANISOU 2024 C LYS A 272 1638 1271 1721 -18 100 -242 C ATOM 2025 O LYS A 272 11.894 26.442 31.919 1.00 12.97 O ANISOU 2025 O LYS A 272 1744 1330 1852 5 100 -221 O ATOM 2026 CB LYS A 272 10.019 25.013 34.145 1.00 11.32 C ANISOU 2026 CB LYS A 272 1497 1228 1576 13 123 -271 C ATOM 2027 CG LYS A 272 8.970 23.891 34.057 1.00 14.11 C ANISOU 2027 CG LYS A 272 1822 1628 1911 27 126 -253 C ATOM 2028 CD LYS A 272 7.771 24.127 34.988 1.00 19.14 C ANISOU 2028 CD LYS A 272 2447 2293 2534 43 151 -294 C ATOM 2029 CE LYS A 272 6.968 25.346 34.663 1.00 18.67 C ANISOU 2029 CE LYS A 272 2390 2195 2510 87 167 -320 C ATOM 2030 NZ LYS A 272 5.937 25.617 35.737 1.00 17.22 N ANISOU 2030 NZ LYS A 272 2192 2044 2308 101 193 -369 N ATOM 0 H LYS A 272 11.831 23.459 34.809 1.00 10.21 H new ATOM 0 HA LYS A 272 10.985 24.271 32.501 1.00 10.04 H new ATOM 0 HB2 LYS A 272 10.258 25.164 35.073 1.00 11.32 H new ATOM 0 HB3 LYS A 272 9.640 25.841 33.811 1.00 11.32 H new ATOM 0 HG2 LYS A 272 8.655 23.818 33.142 1.00 14.11 H new ATOM 0 HG3 LYS A 272 9.387 23.045 34.281 1.00 14.11 H new ATOM 0 HD2 LYS A 272 7.190 23.351 34.952 1.00 19.14 H new ATOM 0 HD3 LYS A 272 8.093 24.199 35.900 1.00 19.14 H new ATOM 0 HE2 LYS A 272 7.557 26.112 34.575 1.00 18.67 H new ATOM 0 HE3 LYS A 272 6.526 25.228 33.808 1.00 18.67 H new ATOM 0 HZ1 LYS A 272 5.424 26.301 35.490 1.00 17.22 H new ATOM 0 HZ2 LYS A 272 5.431 24.894 35.853 1.00 17.22 H new ATOM 0 HZ3 LYS A 272 6.349 25.816 36.501 1.00 17.22 H new ATOM 2031 N ASN A 273 12.892 26.386 33.977 1.00 10.94 N ANISOU 2031 N ASN A 273 1495 1112 1550 -53 99 -275 N ATOM 2032 CA ASN A 273 13.686 27.583 33.753 1.00 11.96 C ANISOU 2032 CA ASN A 273 1651 1188 1706 -71 100 -289 C ATOM 2033 C ASN A 273 14.854 27.191 32.846 1.00 12.70 C ANISOU 2033 C ASN A 273 1738 1283 1804 -95 81 -246 C ATOM 2034 O ASN A 273 15.780 26.501 33.288 1.00 12.89 O ANISOU 2034 O ASN A 273 1749 1348 1802 -126 66 -240 O ATOM 2035 CB ASN A 273 14.163 28.120 35.119 1.00 14.62 C ANISOU 2035 CB ASN A 273 2000 1533 2021 -107 104 -341 C ATOM 2036 CG ASN A 273 15.014 29.348 34.973 1.00 21.91 C ANISOU 2036 CG ASN A 273 2953 2401 2971 -134 105 -360 C ATOM 2037 OD1 ASN A 273 15.425 29.740 33.869 1.00 20.80 O ANISOU 2037 OD1 ASN A 273 2823 2219 2862 -133 100 -328 O ATOM 2038 ND2 ASN A 273 15.240 30.019 36.081 1.00 23.85 N ANISOU 2038 ND2 ASN A 273 3215 2642 3204 -160 112 -415 N ATOM 0 H ASN A 273 12.994 26.030 34.753 1.00 10.94 H new ATOM 0 HA ASN A 273 13.178 28.289 33.323 1.00 11.96 H new ATOM 0 HB2 ASN A 273 13.393 28.325 35.672 1.00 14.62 H new ATOM 0 HB3 ASN A 273 14.667 27.431 35.579 1.00 14.62 H new ATOM 0 HD21 ASN A 273 15.685 30.754 36.055 1.00 23.85 H new ATOM 0 HD22 ASN A 273 14.943 29.723 36.831 1.00 23.85 H new ATOM 2039 N HIS A 274 14.825 27.622 31.603 1.00 11.79 N ANISOU 2039 N HIS A 274 1631 1129 1721 -78 81 -214 N ATOM 2040 CA HIS A 274 15.818 27.165 30.637 1.00 12.61 C ANISOU 2040 CA HIS A 274 1724 1242 1825 -96 66 -173 C ATOM 2041 C HIS A 274 17.227 27.609 30.953 1.00 14.17 C ANISOU 2041 C HIS A 274 1928 1437 2019 -147 59 -184 C ATOM 2042 O HIS A 274 18.161 26.902 30.578 1.00 15.01 O ANISOU 2042 O HIS A 274 2013 1577 2112 -166 45 -159 O ATOM 2043 CB HIS A 274 15.416 27.523 29.218 1.00 15.25 C ANISOU 2043 CB HIS A 274 2065 1542 2188 -68 69 -136 C ATOM 2044 CG HIS A 274 15.516 28.962 28.856 1.00 18.19 C ANISOU 2044 CG HIS A 274 2470 1846 2594 -72 77 -140 C ATOM 2045 ND1 HIS A 274 14.584 29.885 29.275 1.00 20.02 N ANISOU 2045 ND1 HIS A 274 2725 2034 2848 -44 91 -169 N ATOM 2046 CD2 HIS A 274 16.386 29.576 28.014 1.00 19.72 C ANISOU 2046 CD2 HIS A 274 2678 2009 2804 -98 74 -114 C ATOM 2047 CE1 HIS A 274 14.947 31.035 28.731 1.00 21.42 C ANISOU 2047 CE1 HIS A 274 2935 2149 3057 -54 94 -159 C ATOM 2048 NE2 HIS A 274 16.021 30.883 27.958 1.00 20.89 N ANISOU 2048 NE2 HIS A 274 2863 2088 2985 -89 85 -125 N ATOM 0 H HIS A 274 14.245 28.176 31.293 1.00 11.79 H new ATOM 0 HA HIS A 274 15.833 26.198 30.710 1.00 12.61 H new ATOM 0 HB2 HIS A 274 15.970 27.014 28.606 1.00 15.25 H new ATOM 0 HB3 HIS A 274 14.500 27.235 29.078 1.00 15.25 H new ATOM 0 HD1 HIS A 274 13.906 29.743 29.785 1.00 20.02 H new ATOM 0 HD2 HIS A 274 17.095 29.178 27.563 1.00 19.72 H new ATOM 0 HE1 HIS A 274 14.509 31.844 28.870 1.00 21.42 H new ATOM 2049 N SER A 275 17.379 28.708 31.692 1.00 14.52 N ANISOU 2049 N SER A 275 1997 1446 2072 -168 67 -224 N ATOM 2050 CA SER A 275 18.722 29.142 32.073 1.00 15.27 C ANISOU 2050 CA SER A 275 2095 1544 2161 -224 59 -239 C ATOM 2051 C SER A 275 19.407 28.119 32.922 1.00 17.21 C ANISOU 2051 C SER A 275 2313 1861 2367 -246 43 -246 C ATOM 2052 O SER A 275 20.639 28.056 32.889 1.00 19.85 O ANISOU 2052 O SER A 275 2633 2218 2692 -285 30 -240 O ATOM 2053 CB SER A 275 18.687 30.512 32.747 1.00 17.93 C ANISOU 2053 CB SER A 275 2469 1828 2517 -245 72 -288 C ATOM 2054 OG SER A 275 18.163 31.412 31.786 1.00 25.36 O ANISOU 2054 OG SER A 275 3438 2699 3500 -221 84 -270 O ATOM 0 H SER A 275 16.737 29.204 31.976 1.00 14.52 H new ATOM 0 HA SER A 275 19.246 29.233 31.262 1.00 15.27 H new ATOM 0 HB2 SER A 275 18.132 30.493 33.542 1.00 17.93 H new ATOM 0 HB3 SER A 275 19.575 30.783 33.027 1.00 17.93 H new ATOM 0 HG SER A 275 18.531 31.275 31.043 1.00 25.36 H new ATOM 2055 N GLN A 276 18.635 27.288 33.654 1.00 13.26 N ANISOU 2055 N GLN A 276 1800 1397 1840 -222 43 -254 N ATOM 2056 CA GLN A 276 19.089 26.243 34.544 1.00 14.24 C ANISOU 2056 CA GLN A 276 1901 1587 1924 -237 26 -255 C ATOM 2057 C GLN A 276 18.943 24.853 33.977 1.00 13.97 C ANISOU 2057 C GLN A 276 1841 1587 1879 -210 15 -211 C ATOM 2058 O GLN A 276 19.183 23.876 34.676 1.00 15.39 O ANISOU 2058 O GLN A 276 2005 1816 2028 -214 1 -205 O ATOM 2059 CB GLN A 276 18.391 26.348 35.903 1.00 17.39 C ANISOU 2059 CB GLN A 276 2308 2005 2294 -239 34 -298 C ATOM 2060 CG GLN A 276 18.429 27.787 36.523 1.00 21.63 C ANISOU 2060 CG GLN A 276 2874 2502 2842 -262 49 -354 C ATOM 2061 CD GLN A 276 19.658 28.679 36.257 1.00 39.28 C ANISOU 2061 CD GLN A 276 5120 4711 5095 -308 42 -363 C ATOM 2062 OE1 GLN A 276 20.811 28.234 36.221 1.00 28.24 O ANISOU 2062 OE1 GLN A 276 3699 3352 3681 -338 22 -345 O ATOM 2063 NE2 GLN A 276 19.443 29.981 36.071 1.00 37.22 N ANISOU 2063 NE2 GLN A 276 4892 4382 4868 -313 58 -390 N ATOM 0 H GLN A 276 17.777 27.338 33.629 1.00 13.26 H new ATOM 0 HA GLN A 276 20.042 26.386 34.658 1.00 14.24 H new ATOM 0 HB2 GLN A 276 17.466 26.071 35.805 1.00 17.39 H new ATOM 0 HB3 GLN A 276 18.809 25.727 36.521 1.00 17.39 H new ATOM 0 HG2 GLN A 276 17.646 28.264 36.206 1.00 21.63 H new ATOM 0 HG3 GLN A 276 18.335 27.695 37.484 1.00 21.63 H new ATOM 0 HE21 GLN A 276 18.642 30.292 36.096 1.00 37.22 H new ATOM 0 HE22 GLN A 276 20.106 30.510 35.926 1.00 37.22 H new ATOM 2064 N ARG A 277 18.546 24.759 32.715 1.00 11.04 N ANISOU 2064 N ARG A 277 1470 1190 1535 -182 21 -180 N ATOM 2065 CA ARG A 277 18.414 23.453 32.074 1.00 10.26 C ANISOU 2065 CA ARG A 277 1350 1120 1429 -158 11 -142 C ATOM 2066 C ARG A 277 19.781 23.046 31.497 1.00 10.98 C ANISOU 2066 C ARG A 277 1421 1232 1520 -176 -4 -119 C ATOM 2067 O ARG A 277 20.438 23.857 30.858 1.00 11.30 O ANISOU 2067 O ARG A 277 1466 1250 1579 -195 -1 -116 O ATOM 2068 CB ARG A 277 17.374 23.553 30.962 1.00 10.12 C ANISOU 2068 CB ARG A 277 1338 1072 1437 -122 24 -122 C ATOM 2069 CG ARG A 277 16.964 22.194 30.391 1.00 8.94 C ANISOU 2069 CG ARG A 277 1170 949 1279 -98 17 -92 C ATOM 2070 CD ARG A 277 15.935 22.322 29.264 1.00 9.26 C ANISOU 2070 CD ARG A 277 1212 966 1339 -65 27 -75 C ATOM 2071 NE ARG A 277 14.761 23.060 29.735 1.00 7.78 N ANISOU 2071 NE ARG A 277 1038 758 1159 -48 42 -99 N ATOM 2072 CZ ARG A 277 14.172 24.031 29.055 1.00 8.87 C ANISOU 2072 CZ ARG A 277 1189 858 1324 -27 52 -97 C ATOM 2073 NH1 ARG A 277 14.496 24.250 27.780 1.00 9.86 N ANISOU 2073 NH1 ARG A 277 1316 965 1466 -21 49 -66 N ATOM 2074 NH2 ARG A 277 13.212 24.744 29.617 1.00 9.59 N ANISOU 2074 NH2 ARG A 277 1290 931 1423 -8 66 -124 N ATOM 0 H ARG A 277 18.349 25.430 32.215 1.00 11.04 H new ATOM 0 HA ARG A 277 18.128 22.783 32.715 1.00 10.26 H new ATOM 0 HB2 ARG A 277 16.586 24.004 31.304 1.00 10.12 H new ATOM 0 HB3 ARG A 277 17.727 24.104 30.246 1.00 10.12 H new ATOM 0 HG2 ARG A 277 17.751 21.735 30.057 1.00 8.94 H new ATOM 0 HG3 ARG A 277 16.596 21.645 31.101 1.00 8.94 H new ATOM 0 HD2 ARG A 277 16.331 22.780 28.506 1.00 9.26 H new ATOM 0 HD3 ARG A 277 15.670 21.441 28.957 1.00 9.26 H new ATOM 0 HE ARG A 277 14.434 22.849 30.502 1.00 7.78 H new ATOM 0 HH11 ARG A 277 15.089 23.760 27.397 1.00 9.86 H new ATOM 0 HH12 ARG A 277 14.111 24.882 27.341 1.00 9.86 H new ATOM 0 HH21 ARG A 277 12.969 24.577 30.425 1.00 9.59 H new ATOM 0 HH22 ARG A 277 12.830 25.375 29.175 1.00 9.59 H new ATOM 2075 N PRO A 278 20.197 21.796 31.644 1.00 11.12 N ANISOU 2075 N PRO A 278 1417 1290 1518 -170 -20 -100 N ATOM 2076 CA PRO A 278 21.481 21.384 31.058 1.00 12.14 C ANISOU 2076 CA PRO A 278 1522 1442 1648 -180 -34 -81 C ATOM 2077 C PRO A 278 21.492 21.388 29.537 1.00 14.31 C ANISOU 2077 C PRO A 278 1793 1699 1947 -165 -26 -56 C ATOM 2078 O PRO A 278 20.460 21.158 28.896 1.00 14.63 O ANISOU 2078 O PRO A 278 1842 1721 1997 -136 -16 -44 O ATOM 2079 CB PRO A 278 21.656 19.932 31.568 1.00 14.44 C ANISOU 2079 CB PRO A 278 1795 1774 1916 -164 -53 -65 C ATOM 2080 CG PRO A 278 20.750 19.817 32.765 1.00 21.92 C ANISOU 2080 CG PRO A 278 2758 2726 2843 -164 -51 -81 C ATOM 2081 CD PRO A 278 19.575 20.710 32.421 1.00 15.55 C ANISOU 2081 CD PRO A 278 1974 1879 2055 -154 -27 -96 C ATOM 0 HA PRO A 278 22.187 21.998 31.313 1.00 12.14 H new ATOM 0 HB2 PRO A 278 21.414 19.289 30.883 1.00 14.44 H new ATOM 0 HB3 PRO A 278 22.579 19.755 31.810 1.00 14.44 H new ATOM 0 HG2 PRO A 278 20.469 18.900 32.911 1.00 21.92 H new ATOM 0 HG3 PRO A 278 21.194 20.110 33.576 1.00 21.92 H new ATOM 0 HD2 PRO A 278 18.905 20.237 31.904 1.00 15.55 H new ATOM 0 HD3 PRO A 278 19.134 21.046 33.217 1.00 15.55 H new ATOM 2082 N ALA A 279 22.690 21.550 28.966 1.00 14.25 N ANISOU 2082 N ALA A 279 1766 1706 1943 -184 -31 -47 N ATOM 2083 CA ALA A 279 22.947 21.382 27.529 1.00 15.02 C ANISOU 2083 CA ALA A 279 1852 1801 2054 -173 -24 -23 C ATOM 2084 C ALA A 279 23.274 19.895 27.259 1.00 14.97 C ANISOU 2084 C ALA A 279 1820 1832 2037 -146 -37 -8 C ATOM 2085 O ALA A 279 23.349 19.075 28.200 1.00 13.79 O ANISOU 2085 O ALA A 279 1663 1704 1872 -138 -52 -12 O ATOM 2086 CB ALA A 279 24.105 22.270 27.095 1.00 16.68 C ANISOU 2086 CB ALA A 279 2053 2015 2271 -211 -20 -23 C ATOM 0 H ALA A 279 23.392 21.766 29.413 1.00 14.25 H new ATOM 0 HA ALA A 279 22.163 21.642 27.020 1.00 15.02 H new ATOM 0 HB1 ALA A 279 24.266 22.151 26.146 1.00 16.68 H new ATOM 0 HB2 ALA A 279 23.885 23.198 27.272 1.00 16.68 H new ATOM 0 HB3 ALA A 279 24.903 22.027 27.591 1.00 16.68 H new ATOM 2087 N THR A 280 23.472 19.520 25.972 1.00 12.12 N ANISOU 2087 N THR A 280 1445 1476 1683 -132 -30 10 N ATOM 2088 CA THR A 280 23.694 18.124 25.615 1.00 13.48 C ANISOU 2088 CA THR A 280 1597 1674 1850 -102 -40 20 C ATOM 2089 C THR A 280 24.911 17.509 26.289 1.00 12.98 C ANISOU 2089 C THR A 280 1505 1650 1776 -105 -58 16 C ATOM 2090 O THR A 280 24.825 16.365 26.721 1.00 15.47 O ANISOU 2090 O THR A 280 1816 1976 2086 -80 -72 20 O ATOM 2091 CB THR A 280 23.814 17.934 24.100 1.00 14.54 C ANISOU 2091 CB THR A 280 1721 1813 1990 -90 -28 33 C ATOM 2092 OG1 THR A 280 24.856 18.763 23.594 1.00 15.19 O ANISOU 2092 OG1 THR A 280 1787 1911 2075 -120 -21 35 O ATOM 2093 CG2 THR A 280 22.504 18.153 23.376 1.00 14.99 C ANISOU 2093 CG2 THR A 280 1802 1840 2053 -75 -16 42 C ATOM 0 H THR A 280 23.479 20.065 25.306 1.00 12.12 H new ATOM 0 HA THR A 280 22.908 17.659 25.941 1.00 13.48 H new ATOM 0 HB THR A 280 24.046 17.007 23.931 1.00 14.54 H new ATOM 0 HG1 THR A 280 24.590 19.559 23.562 1.00 15.19 H new ATOM 0 HG21 THR A 280 22.634 18.021 22.424 1.00 14.99 H new ATOM 0 HG22 THR A 280 21.844 17.521 23.702 1.00 14.99 H new ATOM 0 HG23 THR A 280 22.192 19.057 23.537 1.00 14.99 H new ATOM 2094 N GLU A 281 26.029 18.231 26.382 1.00 14.43 N ANISOU 2094 N GLU A 281 1668 1856 1958 -137 -59 9 N ATOM 2095 CA GLU A 281 27.241 17.642 26.962 1.00 15.65 C ANISOU 2095 CA GLU A 281 1788 2058 2103 -137 -79 6 C ATOM 2096 C GLU A 281 27.032 17.244 28.403 1.00 16.35 C ANISOU 2096 C GLU A 281 1884 2152 2175 -133 -99 0 C ATOM 2097 O GLU A 281 27.402 16.126 28.784 1.00 17.76 O ANISOU 2097 O GLU A 281 2046 2354 2347 -106 -118 9 O ATOM 2098 CB GLU A 281 28.435 18.591 26.833 1.00 18.28 C ANISOU 2098 CB GLU A 281 2094 2418 2434 -179 -76 -3 C ATOM 0 H GLU A 281 26.108 19.047 26.122 1.00 14.43 H new ATOM 0 HA GLU A 281 27.437 16.837 26.457 1.00 15.65 H new ATOM 2099 N GLN A 282 26.350 18.095 29.178 1.00 13.54 N ANISOU 2099 N GLN A 282 1557 1772 1814 -158 -94 -13 N ATOM 2100 CA GLN A 282 26.071 17.750 30.567 1.00 12.87 C ANISOU 2100 CA GLN A 282 1483 1699 1709 -158 -111 -19 C ATOM 2101 C GLN A 282 25.086 16.572 30.641 1.00 14.30 C ANISOU 2101 C GLN A 282 1681 1865 1889 -120 -114 -2 C ATOM 2102 O GLN A 282 25.271 15.657 31.445 1.00 14.42 O ANISOU 2102 O GLN A 282 1690 1901 1887 -106 -134 8 O ATOM 2103 CB GLN A 282 25.512 18.989 31.292 1.00 14.12 C ANISOU 2103 CB GLN A 282 1668 1835 1862 -192 -100 -43 C ATOM 2104 CG GLN A 282 25.153 18.761 32.763 1.00 13.44 C ANISOU 2104 CG GLN A 282 1594 1765 1748 -198 -114 -54 C ATOM 2105 CD GLN A 282 24.769 20.033 33.484 1.00 14.12 C ANISOU 2105 CD GLN A 282 1703 1833 1827 -232 -102 -87 C ATOM 2106 OE1 GLN A 282 25.197 21.140 33.143 1.00 17.49 O ANISOU 2106 OE1 GLN A 282 2132 2244 2268 -262 -92 -104 O ATOM 2107 NE2 GLN A 282 23.932 19.920 34.489 1.00 14.12 N ANISOU 2107 NE2 GLN A 282 1722 1834 1807 -231 -102 -98 N ATOM 0 H GLN A 282 26.048 18.859 28.922 1.00 13.54 H new ATOM 0 HA GLN A 282 26.891 17.473 31.005 1.00 12.87 H new ATOM 0 HB2 GLN A 282 26.166 19.703 31.238 1.00 14.12 H new ATOM 0 HB3 GLN A 282 24.720 19.294 30.822 1.00 14.12 H new ATOM 0 HG2 GLN A 282 24.418 18.131 32.817 1.00 13.44 H new ATOM 0 HG3 GLN A 282 25.909 18.355 33.215 1.00 13.44 H new ATOM 0 HE21 GLN A 282 23.639 19.145 34.720 1.00 14.12 H new ATOM 0 HE22 GLN A 282 23.677 20.621 34.917 1.00 14.12 H new ATOM 2108 N LEU A 283 24.040 16.568 29.781 1.00 12.58 N ANISOU 2108 N LEU A 283 1483 1612 1686 -104 -94 3 N ATOM 2109 CA LEU A 283 23.070 15.462 29.794 1.00 13.52 C ANISOU 2109 CA LEU A 283 1616 1716 1804 -75 -95 16 C ATOM 2110 C LEU A 283 23.662 14.123 29.370 1.00 13.65 C ANISOU 2110 C LEU A 283 1616 1746 1825 -44 -110 34 C ATOM 2111 O LEU A 283 23.261 13.081 29.883 1.00 14.64 O ANISOU 2111 O LEU A 283 1752 1868 1944 -27 -120 47 O ATOM 2112 CB LEU A 283 21.856 15.768 28.915 1.00 14.63 C ANISOU 2112 CB LEU A 283 1777 1823 1959 -67 -74 16 C ATOM 2113 CG LEU A 283 20.863 16.682 29.524 1.00 18.73 C ANISOU 2113 CG LEU A 283 2318 2323 2474 -81 -61 1 C ATOM 2114 CD1 LEU A 283 19.868 17.146 28.484 1.00 19.48 C ANISOU 2114 CD1 LEU A 283 2425 2389 2586 -70 -42 2 C ATOM 2115 CD2 LEU A 283 20.146 16.024 30.710 1.00 19.70 C ANISOU 2115 CD2 LEU A 283 2453 2454 2576 -80 -68 1 C ATOM 0 H LEU A 283 23.883 17.182 29.200 1.00 12.58 H new ATOM 0 HA LEU A 283 22.796 15.383 30.721 1.00 13.52 H new ATOM 0 HB2 LEU A 283 22.166 16.156 28.082 1.00 14.63 H new ATOM 0 HB3 LEU A 283 21.415 14.933 28.693 1.00 14.63 H new ATOM 0 HG LEU A 283 21.339 17.456 29.865 1.00 18.73 H new ATOM 0 HD11 LEU A 283 19.224 17.743 28.896 1.00 19.48 H new ATOM 0 HD12 LEU A 283 20.336 17.614 27.775 1.00 19.48 H new ATOM 0 HD13 LEU A 283 19.405 16.378 28.113 1.00 19.48 H new ATOM 0 HD21 LEU A 283 19.504 16.646 31.086 1.00 19.70 H new ATOM 0 HD22 LEU A 283 19.684 15.227 30.407 1.00 19.70 H new ATOM 0 HD23 LEU A 283 20.796 15.782 31.388 1.00 19.70 H new ATOM 2116 N AMET A 284 24.629 14.143 28.466 0.50 12.94 N ANISOU 2116 N AMET A 284 1500 1671 1746 -38 -109 34 N ATOM 2117 N BMET A 284 24.647 14.163 28.466 0.50 13.69 N ANISOU 2117 N BMET A 284 1593 1766 1841 -39 -109 33 N ATOM 2118 CA AMET A 284 25.212 12.885 28.022 0.50 13.30 C ANISOU 2118 CA AMET A 284 1528 1728 1799 -4 -120 45 C ATOM 2119 CA BMET A 284 25.353 12.976 27.982 0.50 14.37 C ANISOU 2119 CA BMET A 284 1659 1866 1934 -6 -120 44 C ATOM 2120 C AMET A 284 26.107 12.240 29.080 0.50 16.24 C ANISOU 2120 C AMET A 284 1883 2129 2159 6 -148 54 C ATOM 2121 C BMET A 284 26.066 12.242 29.100 0.50 16.32 C ANISOU 2121 C BMET A 284 1894 2138 2169 6 -148 54 C ATOM 2122 O AMET A 284 26.388 11.046 28.970 0.50 18.34 O ANISOU 2122 O AMET A 284 2142 2393 2431 41 -161 66 O ATOM 2123 O BMET A 284 26.229 11.020 29.021 0.50 17.89 O ANISOU 2123 O BMET A 284 2090 2333 2374 41 -160 67 O ATOM 2124 CB AMET A 284 25.895 13.027 26.682 0.50 14.84 C ANISOU 2124 CB AMET A 284 1698 1935 2007 3 -107 39 C ATOM 2125 CB BMET A 284 26.370 13.357 26.926 0.50 16.67 C ANISOU 2125 CB BMET A 284 1918 2181 2235 -8 -111 37 C ATOM 2126 CG AMET A 284 24.886 13.277 25.581 0.50 16.24 C ANISOU 2126 CG AMET A 284 1894 2083 2193 4 -85 38 C ATOM 2127 CG BMET A 284 25.753 13.616 25.616 0.50 19.06 C ANISOU 2127 CG BMET A 284 2230 2463 2548 -6 -88 35 C ATOM 2128 SD AMET A 284 25.613 13.335 23.942 0.50 18.66 S ANISOU 2128 SD AMET A 284 2173 2409 2507 11 -69 33 S ATOM 2129 SD BMET A 284 25.379 12.118 24.687 0.50 20.59 S ANISOU 2129 SD BMET A 284 2426 2643 2752 39 -86 38 S ATOM 2130 CE AMET A 284 26.514 14.807 24.049 0.50 17.55 C ANISOU 2130 CE AMET A 284 2014 2293 2362 -32 -63 29 C ATOM 2131 CE BMET A 284 25.854 12.681 23.209 0.50 19.34 C ANISOU 2131 CE BMET A 284 2247 2504 2598 33 -66 30 C ATOM 0 H AMET A 284 24.956 14.852 28.105 0.50 13.69 H new ATOM 0 H BMET A 284 24.927 14.895 28.112 0.50 13.69 H new ATOM 0 HA AMET A 284 24.476 12.266 27.895 0.50 14.37 H new ATOM 0 HA BMET A 284 24.681 12.387 27.604 0.50 14.37 H new ATOM 0 HB2AMET A 284 26.530 13.759 26.715 0.50 16.67 H new ATOM 0 HB2BMET A 284 26.851 14.148 27.215 0.50 16.67 H new ATOM 0 HB3AMET A 284 26.400 12.222 26.486 0.50 16.67 H new ATOM 0 HB3BMET A 284 27.022 12.645 26.838 0.50 16.67 H new ATOM 0 HG2AMET A 284 24.213 12.578 25.604 0.50 19.06 H new ATOM 0 HG2BMET A 284 24.934 14.120 25.746 0.50 19.06 H new ATOM 0 HG3AMET A 284 24.430 14.115 25.754 0.50 19.06 H new ATOM 0 HG3BMET A 284 26.348 14.173 25.091 0.50 19.06 H new ATOM 0 HE1AMET A 284 26.787 15.085 23.161 0.50 19.34 H new ATOM 0 HE1BMET A 284 25.085 12.731 22.619 0.50 19.34 H new ATOM 0 HE2AMET A 284 25.961 15.497 24.447 0.50 19.34 H new ATOM 0 HE2BMET A 284 26.243 13.564 23.309 0.50 19.34 H new ATOM 0 HE3AMET A 284 27.300 14.666 24.599 0.50 19.34 H new ATOM 0 HE3BMET A 284 26.513 12.079 22.830 0.50 19.34 H new ATOM 2132 N LYS A 285 26.459 12.971 30.156 1.00 12.92 N ANISOU 2132 N LYS A 285 1458 1731 1719 -23 -159 48 N ATOM 2133 CA LYS A 285 27.175 12.415 31.287 1.00 13.32 C ANISOU 2133 CA LYS A 285 1494 1814 1752 -16 -188 59 C ATOM 2134 C LYS A 285 26.235 11.742 32.281 1.00 14.21 C ANISOU 2134 C LYS A 285 1641 1910 1848 -11 -198 76 C ATOM 2135 O LYS A 285 26.697 11.075 33.220 1.00 15.34 O ANISOU 2135 O LYS A 285 1779 2076 1975 0 -225 94 O ATOM 2136 CB LYS A 285 27.965 13.517 32.010 1.00 15.97 C ANISOU 2136 CB LYS A 285 1810 2189 2070 -56 -196 43 C ATOM 2137 CG LYS A 285 29.045 14.156 31.183 1.00 21.87 C ANISOU 2137 CG LYS A 285 2519 2961 2829 -69 -190 30 C ATOM 2138 CD LYS A 285 29.685 15.298 31.993 1.00 26.29 C ANISOU 2138 CD LYS A 285 3065 3554 3370 -118 -197 10 C ATOM 2139 CE LYS A 285 30.594 16.152 31.150 1.00 38.38 C ANISOU 2139 CE LYS A 285 4566 5104 4914 -146 -184 -4 C ATOM 2140 NZ LYS A 285 31.090 17.324 31.916 1.00 45.02 N ANISOU 2140 NZ LYS A 285 5400 5968 5739 -201 -188 -27 N ATOM 0 H ALYS A 285 26.281 13.808 30.236 0.50 12.92 H new ATOM 0 H BLYS A 285 26.309 13.815 30.225 0.50 12.92 H new ATOM 0 HA LYS A 285 27.782 11.744 30.939 1.00 13.32 H new ATOM 0 HB2 LYS A 285 27.346 14.205 32.300 1.00 15.97 H new ATOM 0 HB3 LYS A 285 28.366 13.140 32.809 1.00 15.97 H new ATOM 0 HG2 LYS A 285 29.716 13.498 30.942 1.00 21.87 H new ATOM 0 HG3 LYS A 285 28.674 14.499 30.355 1.00 21.87 H new ATOM 0 HD2 LYS A 285 28.987 15.852 32.376 1.00 26.29 H new ATOM 0 HD3 LYS A 285 30.189 14.925 32.733 1.00 26.29 H new ATOM 0 HE2 LYS A 285 31.346 15.622 30.841 1.00 38.38 H new ATOM 0 HE3 LYS A 285 30.118 16.455 30.361 1.00 38.38 H new ATOM 0 HZ1 LYS A 285 31.438 17.920 31.354 1.00 45.02 H new ATOM 0 HZ2 LYS A 285 30.415 17.695 32.361 1.00 45.02 H new ATOM 0 HZ3 LYS A 285 31.715 17.060 32.492 1.00 45.02 H new ATOM 2141 N HIS A 286 24.906 11.940 32.136 1.00 11.42 N ANISOU 2141 N HIS A 286 1320 1521 1497 -20 -176 71 N ATOM 2142 CA HIS A 286 23.978 11.350 33.057 1.00 11.05 C ANISOU 2142 CA HIS A 286 1303 1463 1432 -22 -181 86 C ATOM 2143 C HIS A 286 24.094 9.812 32.994 1.00 11.84 C ANISOU 2143 C HIS A 286 1408 1550 1540 15 -199 115 C ATOM 2144 O HIS A 286 24.175 9.277 31.890 1.00 13.11 O ANISOU 2144 O HIS A 286 1564 1689 1727 40 -192 115 O ATOM 2145 CB HIS A 286 22.550 11.806 32.706 1.00 11.48 C ANISOU 2145 CB HIS A 286 1384 1485 1493 -35 -153 73 C ATOM 2146 CG HIS A 286 21.590 11.507 33.795 1.00 13.13 C ANISOU 2146 CG HIS A 286 1618 1694 1677 -48 -153 81 C ATOM 2147 ND1 HIS A 286 21.114 10.229 33.997 1.00 13.24 N ANISOU 2147 ND1 HIS A 286 1649 1694 1689 -33 -161 108 N ATOM 2148 CD2 HIS A 286 21.115 12.304 34.780 1.00 14.72 C ANISOU 2148 CD2 HIS A 286 1829 1911 1853 -76 -146 66 C ATOM 2149 CE1 HIS A 286 20.400 10.272 35.103 1.00 14.16 C ANISOU 2149 CE1 HIS A 286 1782 1822 1775 -55 -160 112 C ATOM 2150 NE2 HIS A 286 20.332 11.517 35.583 1.00 14.83 N ANISOU 2150 NE2 HIS A 286 1864 1927 1846 -80 -149 84 N ATOM 0 H HIS A 286 24.548 12.411 31.511 1.00 11.42 H new ATOM 0 HA HIS A 286 24.182 11.637 33.961 1.00 11.05 H new ATOM 0 HB2 HIS A 286 22.550 12.760 32.528 1.00 11.48 H new ATOM 0 HB3 HIS A 286 22.262 11.366 31.891 1.00 11.48 H new ATOM 0 HD2 HIS A 286 21.287 13.211 34.891 1.00 14.72 H new ATOM 0 HE1 HIS A 286 19.996 9.533 35.498 1.00 14.16 H new ATOM 0 HE2 HIS A 286 19.881 11.776 36.268 1.00 14.83 H new ATOM 2151 N PRO A 287 24.092 9.124 34.159 1.00 12.79 N ANISOU 2151 N PRO A 287 1541 1681 1637 16 -221 140 N ATOM 2152 CA PRO A 287 24.199 7.647 34.151 1.00 12.51 C ANISOU 2152 CA PRO A 287 1518 1624 1612 51 -239 172 C ATOM 2153 C PRO A 287 23.181 6.960 33.235 1.00 14.35 C ANISOU 2153 C PRO A 287 1776 1808 1870 62 -219 172 C ATOM 2154 O PRO A 287 23.508 5.942 32.642 1.00 14.26 O ANISOU 2154 O PRO A 287 1766 1772 1882 96 -227 183 O ATOM 2155 CB PRO A 287 23.921 7.281 35.603 1.00 14.76 C ANISOU 2155 CB PRO A 287 1823 1925 1861 36 -257 199 C ATOM 2156 CG PRO A 287 24.418 8.455 36.390 1.00 19.83 C ANISOU 2156 CG PRO A 287 2445 2617 2473 5 -262 180 C ATOM 2157 CD PRO A 287 24.040 9.654 35.536 1.00 15.75 C ANISOU 2157 CD PRO A 287 1922 2090 1974 -15 -231 140 C ATOM 0 HA PRO A 287 25.061 7.358 33.813 1.00 12.51 H new ATOM 0 HB2 PRO A 287 22.975 7.130 35.754 1.00 14.76 H new ATOM 0 HB3 PRO A 287 24.382 6.466 35.856 1.00 14.76 H new ATOM 0 HG2 PRO A 287 24.003 8.497 37.266 1.00 19.83 H new ATOM 0 HG3 PRO A 287 25.376 8.408 36.532 1.00 19.83 H new ATOM 0 HD2 PRO A 287 23.156 9.987 35.758 1.00 15.75 H new ATOM 0 HD3 PRO A 287 24.659 10.390 35.659 1.00 15.75 H new ATOM 2158 N PHE A 288 21.965 7.526 33.077 1.00 10.97 N ANISOU 2158 N PHE A 288 1365 1366 1438 34 -193 157 N ATOM 2159 CA PHE A 288 20.980 6.892 32.179 1.00 11.14 C ANISOU 2159 CA PHE A 288 1405 1347 1480 41 -176 155 C ATOM 2160 C PHE A 288 21.486 6.828 30.767 1.00 11.44 C ANISOU 2160 C PHE A 288 1425 1373 1548 66 -168 138 C ATOM 2161 O PHE A 288 21.211 5.881 30.022 1.00 12.46 O ANISOU 2161 O PHE A 288 1566 1472 1698 85 -165 140 O ATOM 2162 CB PHE A 288 19.650 7.655 32.273 1.00 11.45 C ANISOU 2162 CB PHE A 288 1457 1385 1507 9 -150 139 C ATOM 2163 CG PHE A 288 18.549 7.042 31.441 1.00 10.46 C ANISOU 2163 CG PHE A 288 1347 1227 1399 10 -134 137 C ATOM 2164 CD1 PHE A 288 17.997 5.814 31.792 1.00 11.80 C ANISOU 2164 CD1 PHE A 288 1543 1373 1568 8 -141 160 C ATOM 2165 CD2 PHE A 288 18.093 7.676 30.302 1.00 10.56 C ANISOU 2165 CD2 PHE A 288 1350 1234 1427 11 -114 113 C ATOM 2166 CE1 PHE A 288 17.009 5.221 31.003 1.00 11.54 C ANISOU 2166 CE1 PHE A 288 1523 1313 1550 3 -127 154 C ATOM 2167 CE2 PHE A 288 17.093 7.076 29.518 1.00 11.26 C ANISOU 2167 CE2 PHE A 288 1450 1299 1528 10 -102 109 C ATOM 2168 CZ PHE A 288 16.566 5.862 29.882 1.00 11.52 C ANISOU 2168 CZ PHE A 288 1506 1311 1560 4 -108 127 C ATOM 0 H PHE A 288 21.701 8.247 33.465 1.00 10.97 H new ATOM 0 HA PHE A 288 20.836 5.975 32.460 1.00 11.14 H new ATOM 0 HB2 PHE A 288 19.367 7.686 33.200 1.00 11.45 H new ATOM 0 HB3 PHE A 288 19.790 8.572 31.988 1.00 11.45 H new ATOM 0 HD1 PHE A 288 18.290 5.382 32.562 1.00 11.80 H new ATOM 0 HD2 PHE A 288 18.447 8.499 30.054 1.00 10.56 H new ATOM 0 HE1 PHE A 288 16.655 4.394 31.240 1.00 11.54 H new ATOM 0 HE2 PHE A 288 16.787 7.503 28.750 1.00 11.26 H new ATOM 0 HZ PHE A 288 15.902 5.473 29.361 1.00 11.52 H new ATOM 2169 N ILE A 289 22.175 7.876 30.325 1.00 11.18 N ANISOU 2169 N ILE A 289 1365 1366 1517 62 -162 118 N ATOM 2170 CA ILE A 289 22.697 7.941 28.980 1.00 11.00 C ANISOU 2170 CA ILE A 289 1322 1342 1517 81 -152 102 C ATOM 2171 C ILE A 289 24.060 7.255 28.869 1.00 12.61 C ANISOU 2171 C ILE A 289 1501 1559 1731 115 -172 108 C ATOM 2172 O ILE A 289 24.335 6.561 27.883 1.00 13.24 O ANISOU 2172 O ILE A 289 1574 1625 1831 143 -168 100 O ATOM 2173 CB ILE A 289 22.787 9.428 28.535 1.00 11.94 C ANISOU 2173 CB ILE A 289 1425 1480 1633 57 -135 82 C ATOM 2174 CG1 ILE A 289 21.423 10.115 28.606 1.00 11.42 C ANISOU 2174 CG1 ILE A 289 1381 1398 1560 32 -116 75 C ATOM 2175 CG2 ILE A 289 23.451 9.588 27.198 1.00 12.19 C ANISOU 2175 CG2 ILE A 289 1432 1519 1680 71 -124 68 C ATOM 2176 CD1 ILE A 289 20.335 9.442 27.670 1.00 13.21 C ANISOU 2176 CD1 ILE A 289 1623 1596 1799 42 -102 73 C ATOM 0 H ILE A 289 22.350 8.568 30.804 1.00 11.18 H new ATOM 0 HA ILE A 289 22.092 7.464 28.390 1.00 11.00 H new ATOM 0 HB ILE A 289 23.364 9.883 29.169 1.00 11.94 H new ATOM 0 HG12 ILE A 289 21.107 10.099 29.523 1.00 11.42 H new ATOM 0 HG13 ILE A 289 21.524 11.047 28.357 1.00 11.42 H new ATOM 0 HG21 ILE A 289 23.484 10.529 26.963 1.00 12.19 H new ATOM 0 HG22 ILE A 289 24.353 9.234 27.240 1.00 12.19 H new ATOM 0 HG23 ILE A 289 22.945 9.105 26.526 1.00 12.19 H new ATOM 0 HD11 ILE A 289 19.494 9.918 27.757 1.00 13.21 H new ATOM 0 HD12 ILE A 289 20.634 9.479 26.748 1.00 13.21 H new ATOM 0 HD13 ILE A 289 20.210 8.516 27.932 1.00 13.21 H new ATOM 2177 N ARG A 290 24.943 7.535 29.822 1.00 13.75 N ANISOU 2177 N ARG A 290 1627 1736 1860 112 -192 117 N ATOM 2178 CA ARG A 290 26.337 7.089 29.781 1.00 15.32 C ANISOU 2178 CA ARG A 290 1792 1961 2066 144 -212 121 C ATOM 2179 C ARG A 290 26.501 5.575 29.917 1.00 18.80 C ANISOU 2179 C ARG A 290 2246 2375 2522 188 -231 143 C ATOM 2180 O ARG A 290 27.396 5.005 29.274 1.00 21.42 O ANISOU 2180 O ARG A 290 2553 2711 2873 227 -237 136 O ATOM 2181 CB ARG A 290 27.090 7.841 30.894 1.00 16.93 C ANISOU 2181 CB ARG A 290 1975 2212 2246 123 -230 126 C ATOM 2182 CG ARG A 290 28.583 7.525 31.121 1.00 24.22 C ANISOU 2182 CG ARG A 290 2855 3179 3170 151 -257 132 C ATOM 2183 CD ARG A 290 29.029 8.010 32.508 1.00 19.39 C ANISOU 2183 CD ARG A 290 2233 2609 2526 127 -281 143 C ATOM 2184 NE ARG A 290 28.434 7.199 33.566 1.00 29.89 N ANISOU 2184 NE ARG A 290 3597 3920 3838 134 -301 175 N ATOM 2185 CZ ARG A 290 28.233 7.590 34.817 1.00 36.12 C ANISOU 2185 CZ ARG A 290 4397 4733 4592 103 -314 185 C ATOM 2186 NH1 ARG A 290 27.669 6.766 35.690 1.00 27.62 N ANISOU 2186 NH1 ARG A 290 3354 3640 3499 110 -330 218 N ATOM 2187 NH2 ARG A 290 28.571 8.814 35.201 1.00 31.80 N ANISOU 2187 NH2 ARG A 290 3831 4227 4025 63 -311 161 N ATOM 0 H ARG A 290 24.749 7.996 30.522 1.00 13.75 H new ATOM 0 HA ARG A 290 26.707 7.294 28.908 1.00 15.32 H new ATOM 0 HB2 ARG A 290 27.015 8.791 30.711 1.00 16.93 H new ATOM 0 HB3 ARG A 290 26.624 7.675 31.728 1.00 16.93 H new ATOM 0 HG2 ARG A 290 28.733 6.570 31.042 1.00 24.22 H new ATOM 0 HG3 ARG A 290 29.118 7.953 30.435 1.00 24.22 H new ATOM 0 HD2 ARG A 290 29.996 7.971 32.572 1.00 19.39 H new ATOM 0 HD3 ARG A 290 28.774 8.938 32.626 1.00 19.39 H new ATOM 0 HE ARG A 290 28.193 6.399 33.360 1.00 29.89 H new ATOM 0 HH11 ARG A 290 27.433 5.976 35.445 1.00 27.62 H new ATOM 0 HH12 ARG A 290 27.540 7.022 36.501 1.00 27.62 H new ATOM 0 HH21 ARG A 290 28.923 9.360 34.637 1.00 31.80 H new ATOM 0 HH22 ARG A 290 28.438 9.062 36.014 1.00 31.80 H new ATOM 2188 N ASP A 291 25.692 4.937 30.739 1.00 13.86 N ANISOU 2188 N ASP A 291 1658 1720 1887 182 -241 167 N ATOM 2189 CA ASP A 291 25.907 3.524 31.071 1.00 14.00 C ANISOU 2189 CA ASP A 291 1695 1708 1918 221 -264 195 C ATOM 2190 C ASP A 291 24.990 2.595 30.323 1.00 14.73 C ANISOU 2190 C ASP A 291 1822 1741 2033 230 -249 192 C ATOM 2191 O ASP A 291 23.834 2.413 30.732 1.00 16.15 O ANISOU 2191 O ASP A 291 2039 1895 2203 201 -242 204 O ATOM 2192 CB ASP A 291 25.756 3.341 32.578 1.00 17.39 C ANISOU 2192 CB ASP A 291 2144 2147 2318 207 -288 232 C ATOM 2193 CG ASP A 291 26.718 4.173 33.407 1.00 23.66 C ANISOU 2193 CG ASP A 291 2902 3003 3085 196 -307 234 C ATOM 2194 OD1 ASP A 291 27.688 4.710 32.831 1.00 23.16 O ANISOU 2194 OD1 ASP A 291 2795 2973 3030 208 -306 211 O ATOM 2195 OD2 ASP A 291 26.511 4.262 34.635 1.00 29.37 O ANISOU 2195 OD2 ASP A 291 3640 3745 3775 174 -323 257 O ATOM 0 H ASP A 291 25.010 5.295 31.121 1.00 13.86 H new ATOM 0 HA ASP A 291 26.806 3.287 30.793 1.00 14.00 H new ATOM 0 HB2 ASP A 291 24.848 3.568 32.831 1.00 17.39 H new ATOM 0 HB3 ASP A 291 25.886 2.404 32.794 1.00 17.39 H new ATOM 2196 N GLN A 292 25.478 2.002 29.237 1.00 12.24 N ANISOU 2196 N GLN A 292 1495 1408 1748 268 -244 172 N ATOM 2197 CA GLN A 292 24.649 1.117 28.401 1.00 11.96 C ANISOU 2197 CA GLN A 292 1492 1317 1735 275 -229 161 C ATOM 2198 C GLN A 292 25.353 -0.204 28.121 1.00 13.50 C ANISOU 2198 C GLN A 292 1693 1476 1961 331 -245 165 C ATOM 2199 O GLN A 292 25.710 -0.500 26.988 1.00 14.49 O ANISOU 2199 O GLN A 292 1803 1593 2108 358 -232 133 O ATOM 2200 CB GLN A 292 24.209 1.820 27.144 1.00 12.49 C ANISOU 2200 CB GLN A 292 1546 1396 1805 256 -198 123 C ATOM 2201 CG GLN A 292 23.406 3.075 27.472 1.00 13.56 C ANISOU 2201 CG GLN A 292 1682 1557 1914 206 -183 122 C ATOM 2202 CD GLN A 292 22.644 3.596 26.309 1.00 12.14 C ANISOU 2202 CD GLN A 292 1500 1375 1736 187 -156 94 C ATOM 2203 OE1 GLN A 292 22.126 2.824 25.487 1.00 13.72 O ANISOU 2203 OE1 GLN A 292 1718 1545 1952 196 -147 81 O ATOM 2204 NE2 GLN A 292 22.553 4.915 26.241 1.00 11.46 N ANISOU 2204 NE2 GLN A 292 1397 1323 1635 160 -143 86 N ATOM 0 H GLN A 292 26.287 2.095 28.962 1.00 12.24 H new ATOM 0 HA GLN A 292 23.844 0.897 28.896 1.00 11.96 H new ATOM 0 HB2 GLN A 292 24.986 2.058 26.614 1.00 12.49 H new ATOM 0 HB3 GLN A 292 23.671 1.219 26.605 1.00 12.49 H new ATOM 0 HG2 GLN A 292 22.789 2.879 28.195 1.00 13.56 H new ATOM 0 HG3 GLN A 292 24.009 3.764 27.792 1.00 13.56 H new ATOM 0 HE21 GLN A 292 22.932 5.404 26.839 1.00 11.46 H new ATOM 0 HE22 GLN A 292 22.115 5.283 25.599 1.00 11.46 H new ATOM 2205 N PRO A 293 25.505 -1.046 29.146 1.00 11.94 N ANISOU 2205 N PRO A 293 1520 1252 1764 349 -272 205 N ATOM 2206 CA PRO A 293 26.211 -2.325 28.951 1.00 11.68 C ANISOU 2206 CA PRO A 293 1496 1178 1766 409 -291 212 C ATOM 2207 C PRO A 293 25.456 -3.388 28.144 1.00 12.67 C ANISOU 2207 C PRO A 293 1664 1230 1921 416 -277 195 C ATOM 2208 O PRO A 293 25.969 -4.475 27.927 1.00 13.71 O ANISOU 2208 O PRO A 293 1809 1317 2085 467 -289 196 O ATOM 2209 CB PRO A 293 26.461 -2.810 30.378 1.00 13.79 C ANISOU 2209 CB PRO A 293 1782 1438 2020 419 -326 267 C ATOM 2210 CG PRO A 293 25.310 -2.194 31.156 1.00 16.51 C ANISOU 2210 CG PRO A 293 2152 1792 2328 352 -317 285 C ATOM 2211 CD PRO A 293 25.075 -0.854 30.546 1.00 12.94 C ANISOU 2211 CD PRO A 293 1667 1388 1860 316 -289 246 C ATOM 0 HA PRO A 293 27.009 -2.184 28.418 1.00 11.68 H new ATOM 0 HB2 PRO A 293 26.455 -3.778 30.434 1.00 13.79 H new ATOM 0 HB3 PRO A 293 27.321 -2.512 30.713 1.00 13.79 H new ATOM 0 HG2 PRO A 293 24.515 -2.747 31.097 1.00 16.51 H new ATOM 0 HG3 PRO A 293 25.530 -2.114 32.097 1.00 16.51 H new ATOM 0 HD2 PRO A 293 24.143 -0.592 30.603 1.00 12.94 H new ATOM 0 HD3 PRO A 293 25.591 -0.162 30.989 1.00 12.94 H new ATOM 2212 N ASN A 294 24.222 -3.081 27.706 1.00 12.35 N ANISOU 2212 N ASN A 294 1645 1177 1871 365 -251 178 N ATOM 2213 CA ASN A 294 23.476 -4.081 26.938 1.00 13.50 C ANISOU 2213 CA ASN A 294 1830 1257 2043 364 -238 159 C ATOM 2214 C ASN A 294 23.097 -3.529 25.577 1.00 14.07 C ANISOU 2214 C ASN A 294 1881 1350 2114 348 -207 107 C ATOM 2215 O ASN A 294 22.157 -4.048 24.946 1.00 14.01 O ANISOU 2215 O ASN A 294 1903 1304 2115 326 -192 87 O ATOM 2216 CB ASN A 294 22.245 -4.508 27.729 1.00 15.06 C ANISOU 2216 CB ASN A 294 2077 1414 2229 317 -240 192 C ATOM 2217 CG ASN A 294 21.772 -5.895 27.341 1.00 15.71 C ANISOU 2217 CG ASN A 294 2210 1415 2345 325 -240 188 C ATOM 2218 OD1 ASN A 294 22.563 -6.748 26.940 1.00 17.76 O ANISOU 2218 OD1 ASN A 294 2475 1635 2637 379 -251 178 O ATOM 2219 ND2 ASN A 294 20.459 -6.089 27.346 1.00 18.02 N ANISOU 2219 ND2 ASN A 294 2536 1682 2629 269 -226 189 N ATOM 0 H ASN A 294 23.818 -2.333 27.837 1.00 12.35 H new ATOM 0 HA ASN A 294 24.034 -4.861 26.790 1.00 13.50 H new ATOM 0 HB2 ASN A 294 22.449 -4.490 28.677 1.00 15.06 H new ATOM 0 HB3 ASN A 294 21.529 -3.870 27.581 1.00 15.06 H new ATOM 0 HD21 ASN A 294 20.133 -6.832 27.062 1.00 18.02 H new ATOM 0 HD22 ASN A 294 19.934 -5.471 27.633 1.00 18.02 H new ATOM 2220 N GLU A 295 23.803 -2.511 25.078 1.00 14.32 N ANISOU 2220 N GLU A 295 1863 1444 2133 356 -198 85 N ATOM 2221 CA GLU A 295 23.410 -1.874 23.822 1.00 14.47 C ANISOU 2221 CA GLU A 295 1864 1490 2146 336 -169 44 C ATOM 2222 C GLU A 295 23.469 -2.822 22.612 1.00 16.71 C ANISOU 2222 C GLU A 295 2157 1738 2455 364 -157 3 C ATOM 2223 O GLU A 295 22.639 -2.687 21.718 1.00 16.32 O ANISOU 2223 O GLU A 295 2114 1688 2398 336 -137 -25 O ATOM 2224 CB GLU A 295 24.167 -0.548 23.587 1.00 17.83 C ANISOU 2224 CB GLU A 295 2237 1986 2551 333 -161 35 C ATOM 2225 CG GLU A 295 25.590 -0.653 23.085 1.00 24.39 C ANISOU 2225 CG GLU A 295 3026 2847 3395 382 -163 14 C ATOM 2226 CD GLU A 295 26.040 0.728 22.655 1.00 28.95 C ANISOU 2226 CD GLU A 295 3558 3492 3949 360 -148 3 C ATOM 2227 OE1 GLU A 295 26.665 1.413 23.491 1.00 28.90 O ANISOU 2227 OE1 GLU A 295 3529 3521 3931 354 -162 25 O ATOM 2228 OE2 GLU A 295 25.759 1.130 21.502 1.00 28.83 O ANISOU 2228 OE2 GLU A 295 3532 3494 3927 346 -124 -26 O ATOM 0 H GLU A 295 24.505 -2.179 25.448 1.00 14.32 H new ATOM 0 HA GLU A 295 22.472 -1.646 23.916 1.00 14.47 H new ATOM 0 HB2 GLU A 295 23.660 -0.020 22.950 1.00 17.83 H new ATOM 0 HB3 GLU A 295 24.177 -0.054 24.422 1.00 17.83 H new ATOM 0 HG2 GLU A 295 26.171 -0.997 23.782 1.00 24.39 H new ATOM 0 HG3 GLU A 295 25.642 -1.273 22.341 1.00 24.39 H new ATOM 2229 N ARG A 296 24.358 -3.795 22.600 1.00 16.48 N ANISOU 2229 N ARG A 296 2130 1679 2454 419 -170 -2 N ATOM 2230 CA ARG A 296 24.417 -4.746 21.481 1.00 16.68 C ANISOU 2230 CA ARG A 296 2167 1667 2505 449 -158 -48 C ATOM 2231 C ARG A 296 23.090 -5.525 21.397 1.00 17.90 C ANISOU 2231 C ARG A 296 2377 1756 2667 411 -153 -50 C ATOM 2232 O ARG A 296 22.514 -5.671 20.298 1.00 18.22 O ANISOU 2232 O ARG A 296 2423 1793 2707 394 -133 -93 O ATOM 2233 CB ARG A 296 25.601 -5.711 21.655 1.00 19.92 C ANISOU 2233 CB ARG A 296 2573 2048 2949 521 -176 -49 C ATOM 2234 CG ARG A 296 25.905 -6.563 20.428 1.00 31.49 C ANISOU 2234 CG ARG A 296 4041 3484 4441 560 -160 -106 C ATOM 0 H ARG A 296 24.938 -3.931 23.221 1.00 16.48 H new ATOM 0 HA ARG A 296 24.549 -4.256 20.654 1.00 16.68 H new ATOM 0 HB2 ARG A 296 26.392 -5.197 21.883 1.00 19.92 H new ATOM 0 HB3 ARG A 296 25.418 -6.298 22.405 1.00 19.92 H new ATOM 2235 N GLN A 297 22.610 -6.042 22.540 1.00 15.91 N ANISOU 2235 N GLN A 297 2166 1458 2422 396 -172 -5 N ATOM 2236 CA GLN A 297 21.330 -6.757 22.605 1.00 15.94 C ANISOU 2236 CA GLN A 297 2221 1403 2430 352 -168 -2 C ATOM 2237 C GLN A 297 20.143 -5.845 22.333 1.00 15.17 C ANISOU 2237 C GLN A 297 2116 1347 2300 287 -149 -9 C ATOM 2238 O GLN A 297 19.167 -6.281 21.708 1.00 14.33 O ANISOU 2238 O GLN A 297 2033 1216 2197 254 -137 -34 O ATOM 2239 CB GLN A 297 21.152 -7.518 23.917 1.00 17.80 C ANISOU 2239 CB GLN A 297 2502 1584 2677 349 -193 53 C ATOM 2240 CG GLN A 297 22.087 -8.723 24.067 1.00 22.98 C ANISOU 2240 CG GLN A 297 3182 2176 3375 414 -213 60 C ATOM 2241 CD GLN A 297 22.060 -9.676 22.887 1.00 32.45 C ANISOU 2241 CD GLN A 297 4402 3320 4608 436 -199 4 C ATOM 2242 OE1 GLN A 297 20.995 -10.105 22.419 1.00 27.51 O ANISOU 2242 OE1 GLN A 297 3810 2656 3984 390 -185 -17 O ATOM 2243 NE2 GLN A 297 23.241 -10.029 22.384 1.00 31.43 N ANISOU 2243 NE2 GLN A 297 4251 3188 4504 507 -203 -23 N ATOM 0 H GLN A 297 23.018 -5.986 23.295 1.00 15.91 H new ATOM 0 HA GLN A 297 21.358 -7.415 21.893 1.00 15.94 H new ATOM 0 HB2 GLN A 297 21.302 -6.909 24.657 1.00 17.80 H new ATOM 0 HB3 GLN A 297 20.233 -7.822 23.982 1.00 17.80 H new ATOM 0 HG2 GLN A 297 22.994 -8.403 24.192 1.00 22.98 H new ATOM 0 HG3 GLN A 297 21.845 -9.210 24.870 1.00 22.98 H new ATOM 0 HE21 GLN A 297 23.965 -9.717 22.727 1.00 31.43 H new ATOM 0 HE22 GLN A 297 23.280 -10.569 21.716 1.00 31.43 H new ATOM 2244 N VAL A 298 20.193 -4.590 22.781 1.00 12.66 N ANISOU 2244 N VAL A 298 1764 1093 1953 270 -148 10 N ATOM 2245 CA VAL A 298 19.139 -3.638 22.455 1.00 11.53 C ANISOU 2245 CA VAL A 298 1609 991 1781 218 -130 2 C ATOM 2246 C VAL A 298 18.995 -3.527 20.928 1.00 14.08 C ANISOU 2246 C VAL A 298 1913 1332 2102 219 -110 -50 C ATOM 2247 O VAL A 298 17.878 -3.554 20.412 1.00 12.61 O ANISOU 2247 O VAL A 298 1739 1146 1907 180 -98 -66 O ATOM 2248 CB VAL A 298 19.409 -2.250 23.096 1.00 13.50 C ANISOU 2248 CB VAL A 298 1823 1302 2003 208 -131 25 C ATOM 2249 CG1 VAL A 298 18.566 -1.143 22.452 1.00 13.54 C ANISOU 2249 CG1 VAL A 298 1807 1352 1983 172 -111 8 C ATOM 2250 CG2 VAL A 298 19.228 -2.328 24.601 1.00 13.75 C ANISOU 2250 CG2 VAL A 298 1876 1322 2026 193 -148 73 C ATOM 0 H VAL A 298 20.825 -4.274 23.271 1.00 12.66 H new ATOM 0 HA VAL A 298 18.304 -3.963 22.825 1.00 11.53 H new ATOM 0 HB VAL A 298 20.331 -2.006 22.922 1.00 13.50 H new ATOM 0 HG11 VAL A 298 18.764 -0.295 22.880 1.00 13.54 H new ATOM 0 HG12 VAL A 298 18.776 -1.085 21.507 1.00 13.54 H new ATOM 0 HG13 VAL A 298 17.624 -1.348 22.562 1.00 13.54 H new ATOM 0 HG21 VAL A 298 19.398 -1.457 24.993 1.00 13.75 H new ATOM 0 HG22 VAL A 298 18.320 -2.601 24.804 1.00 13.75 H new ATOM 0 HG23 VAL A 298 19.850 -2.975 24.969 1.00 13.75 H new ATOM 2251 N AARG A 299 20.115 -3.408 20.192 0.50 13.11 N ANISOU 2251 N AARG A 299 1762 1233 1987 262 -106 -75 N ATOM 2252 N BARG A 299 20.112 -3.443 20.229 0.50 13.92 N ANISOU 2252 N BARG A 299 1865 1335 2090 262 -106 -75 N ATOM 2253 CA AARG A 299 20.020 -3.308 18.728 0.50 13.39 C ANISOU 2253 CA AARG A 299 1780 1293 2015 262 -86 -124 C ATOM 2254 CA BARG A 299 20.117 -3.329 18.779 0.50 14.77 C ANISOU 2254 CA BARG A 299 1954 1467 2190 265 -87 -123 C ATOM 2255 C AARG A 299 19.487 -4.598 18.101 0.50 16.19 C ANISOU 2255 C AARG A 299 2170 1591 2389 260 -82 -159 C ATOM 2256 C BARG A 299 19.531 -4.583 18.115 0.50 17.03 C ANISOU 2256 C BARG A 299 2276 1698 2495 261 -82 -159 C ATOM 2257 O AARG A 299 18.687 -4.517 17.171 0.50 15.21 O ANISOU 2257 O AARG A 299 2046 1483 2250 230 -68 -190 O ATOM 2258 O BARG A 299 18.728 -4.455 17.189 0.50 16.60 O ANISOU 2258 O BARG A 299 2221 1661 2426 230 -68 -189 O ATOM 2259 CB AARG A 299 21.344 -2.890 18.091 0.50 14.32 C ANISOU 2259 CB AARG A 299 1855 1454 2131 306 -80 -144 C ATOM 2260 CB BARG A 299 21.538 -3.040 18.316 0.50 17.02 C ANISOU 2260 CB BARG A 299 2198 1790 2477 311 -83 -141 C ATOM 2261 CG AARG A 299 21.635 -1.402 18.151 0.50 17.46 C ANISOU 2261 CG AARG A 299 2213 1920 2501 290 -73 -128 C ATOM 2262 CG BARG A 299 22.020 -1.627 18.689 0.50 20.84 C ANISOU 2262 CG BARG A 299 2644 2337 2939 303 -82 -114 C ATOM 2263 CD AARG A 299 22.884 -1.043 17.347 0.50 23.67 C ANISOU 2263 CD AARG A 299 2955 2755 3283 323 -62 -152 C ATOM 2264 CD BARG A 299 23.377 -1.289 18.064 0.50 22.67 C ANISOU 2264 CD BARG A 299 2830 2614 3169 341 -75 -134 C ATOM 2265 NE AARG A 299 24.097 -1.708 17.840 0.50 21.39 N ANISOU 2265 NE AARG A 299 2656 2453 3020 375 -75 -150 N ATOM 2266 NE BARG A 299 23.548 -1.965 16.776 0.50 26.91 N ANISOU 2266 NE BARG A 299 3363 3149 3712 363 -59 -184 N ATOM 2267 CZ AARG A 299 24.851 -1.253 18.834 0.50 27.98 C ANISOU 2267 CZ AARG A 299 3471 3305 3855 387 -91 -117 C ATOM 2268 CZ BARG A 299 22.903 -1.638 15.659 0.50 36.20 C ANISOU 2268 CZ BARG A 299 4537 4351 4868 337 -39 -213 C ATOM 2269 NH1AARG A 299 25.943 -1.914 19.205 0.50 18.13 N ANISOU 2269 NH1AARG A 299 2210 2049 2631 439 -105 -116 N ATOM 2270 NH1BARG A 299 23.072 -2.353 14.556 0.50 20.64 N ANISOU 2270 NH1BARG A 299 2564 2377 2900 357 -26 -262 N ATOM 2271 NH2AARG A 299 24.525 -0.133 19.463 0.50 24.88 N ANISOU 2271 NH2AARG A 299 3071 2941 3440 349 -94 -86 N ATOM 2272 NH2BARG A 299 22.055 -0.615 15.648 0.50 21.61 N ANISOU 2272 NH2BARG A 299 2687 2530 2993 291 -35 -193 N ATOM 0 H AARG A 299 20.913 -3.384 20.511 0.50 13.92 H new ATOM 0 H BARG A 299 20.896 -3.450 20.583 0.50 13.92 H new ATOM 0 HA AARG A 299 19.377 -2.606 18.542 0.50 14.77 H new ATOM 0 HA BARG A 299 19.545 -2.594 18.508 0.50 14.77 H new ATOM 0 HB2AARG A 299 22.065 -3.366 18.531 0.50 17.02 H new ATOM 0 HB2BARG A 299 22.139 -3.694 18.706 0.50 17.02 H new ATOM 0 HB3AARG A 299 21.345 -3.170 17.162 0.50 17.02 H new ATOM 0 HB3BARG A 299 21.587 -3.149 17.353 0.50 17.02 H new ATOM 0 HG2AARG A 299 20.874 -0.908 17.807 0.50 20.84 H new ATOM 0 HG2BARG A 299 21.362 -0.976 18.398 0.50 20.84 H new ATOM 0 HG3AARG A 299 21.755 -1.131 19.075 0.50 20.84 H new ATOM 0 HG3BARG A 299 22.084 -1.554 19.654 0.50 20.84 H new ATOM 0 HD2AARG A 299 22.744 -1.284 16.418 0.50 22.67 H new ATOM 0 HD2BARG A 299 23.450 -0.330 17.941 0.50 22.67 H new ATOM 0 HD3AARG A 299 23.015 -0.082 17.374 0.50 22.67 H new ATOM 0 HD3BARG A 299 24.089 -1.552 18.668 0.50 22.67 H new ATOM 0 HE AARG A 299 24.335 -2.441 17.459 0.50 26.91 H new ATOM 0 HE BARG A 299 24.105 -2.620 16.739 0.50 26.91 H new ATOM 0 HH11AARG A 299 26.164 -2.640 18.801 0.50 20.64 H new ATOM 0 HH11BARG A 299 23.600 -3.032 14.560 0.50 20.64 H new ATOM 0 HH12AARG A 299 26.428 -1.616 19.849 0.50 20.64 H new ATOM 0 HH12BARG A 299 22.653 -2.138 13.836 0.50 20.64 H new ATOM 0 HH21AARG A 299 23.822 0.303 19.228 0.50 21.61 H new ATOM 0 HH21BARG A 299 21.921 -0.160 16.365 0.50 21.61 H new ATOM 0 HH22AARG A 299 25.016 0.158 20.106 0.50 21.61 H new ATOM 0 HH22BARG A 299 21.641 -0.408 14.923 0.50 21.61 H new ATOM 2273 N ILE A 300 19.848 -5.776 18.646 1.00 14.21 N ANISOU 2273 N ILE A 300 1954 1273 2172 288 -96 -152 N ATOM 2274 CA ILE A 300 19.306 -7.053 18.148 1.00 14.42 C ANISOU 2274 CA ILE A 300 2024 1233 2223 282 -94 -184 C ATOM 2275 C ILE A 300 17.793 -7.079 18.403 1.00 16.10 C ANISOU 2275 C ILE A 300 2264 1433 2421 214 -91 -171 C ATOM 2276 O ILE A 300 17.038 -7.478 17.512 1.00 15.55 O ANISOU 2276 O ILE A 300 2206 1354 2348 185 -80 -212 O ATOM 2277 CB ILE A 300 20.039 -8.221 18.835 1.00 17.43 C ANISOU 2277 CB ILE A 300 2440 1539 2645 328 -112 -169 C ATOM 2278 CG1 ILE A 300 21.476 -8.333 18.272 1.00 19.11 C ANISOU 2278 CG1 ILE A 300 2620 1768 2874 400 -110 -199 C ATOM 2279 CG2 ILE A 300 19.270 -9.552 18.697 1.00 17.84 C ANISOU 2279 CG2 ILE A 300 2549 1504 2723 307 -113 -187 C ATOM 2280 CD1 ILE A 300 22.441 -9.218 19.082 1.00 26.98 C ANISOU 2280 CD1 ILE A 300 3636 2705 3910 462 -133 -174 C ATOM 0 H AILE A 300 20.401 -5.854 19.300 0.50 14.21 H new ATOM 0 H BILE A 300 20.387 -5.866 19.310 0.50 14.21 H new ATOM 0 HA ILE A 300 19.449 -7.145 17.193 1.00 14.42 H new ATOM 0 HB ILE A 300 20.087 -8.034 19.786 1.00 17.43 H new ATOM 0 HG12 ILE A 300 21.426 -8.681 17.368 1.00 19.11 H new ATOM 0 HG13 ILE A 300 21.853 -7.441 18.212 1.00 19.11 H new ATOM 0 HG21 ILE A 300 19.764 -10.259 19.141 1.00 17.84 H new ATOM 0 HG22 ILE A 300 18.394 -9.464 19.105 1.00 17.84 H new ATOM 0 HG23 ILE A 300 19.168 -9.771 17.758 1.00 17.84 H new ATOM 0 HD11 ILE A 300 23.311 -9.226 18.653 1.00 26.98 H new ATOM 0 HD12 ILE A 300 22.528 -8.864 19.981 1.00 26.98 H new ATOM 0 HD13 ILE A 300 22.093 -10.123 19.123 1.00 26.98 H new ATOM 2281 N GLN A 301 17.343 -6.635 19.605 1.00 13.52 N ANISOU 2281 N GLN A 301 1944 1111 2083 186 -102 -118 N ATOM 2282 CA GLN A 301 15.922 -6.613 19.943 1.00 13.25 C ANISOU 2282 CA GLN A 301 1928 1073 2033 122 -98 -104 C ATOM 2283 C GLN A 301 15.169 -5.659 19.045 1.00 14.54 C ANISOU 2283 C GLN A 301 2057 1302 2165 90 -82 -130 C ATOM 2284 O GLN A 301 14.059 -5.972 18.583 1.00 13.89 O ANISOU 2284 O GLN A 301 1987 1216 2076 45 -75 -151 O ATOM 2285 CB GLN A 301 15.720 -6.210 21.398 1.00 14.16 C ANISOU 2285 CB GLN A 301 2050 1193 2138 104 -110 -45 C ATOM 2286 CG GLN A 301 16.230 -7.277 22.342 1.00 13.54 C ANISOU 2286 CG GLN A 301 2013 1045 2087 126 -129 -12 C ATOM 2287 CD GLN A 301 16.393 -6.750 23.750 1.00 19.40 C ANISOU 2287 CD GLN A 301 2752 1807 2812 121 -142 46 C ATOM 2288 OE1 GLN A 301 16.082 -5.597 24.094 1.00 18.06 O ANISOU 2288 OE1 GLN A 301 2551 1699 2611 100 -136 58 O ATOM 2289 NE2 GLN A 301 16.933 -7.585 24.623 1.00 22.12 N ANISOU 2289 NE2 GLN A 301 3129 2099 3175 145 -162 83 N ATOM 0 H GLN A 301 17.858 -6.345 20.230 1.00 13.52 H new ATOM 0 HA GLN A 301 15.574 -7.509 19.811 1.00 13.25 H new ATOM 0 HB2 GLN A 301 16.182 -5.375 21.571 1.00 14.16 H new ATOM 0 HB3 GLN A 301 14.777 -6.053 21.564 1.00 14.16 H new ATOM 0 HG2 GLN A 301 15.614 -8.026 22.346 1.00 13.54 H new ATOM 0 HG3 GLN A 301 17.082 -7.612 22.021 1.00 13.54 H new ATOM 0 HE21 GLN A 301 17.147 -8.382 24.380 1.00 22.12 H new ATOM 0 HE22 GLN A 301 17.070 -7.331 25.433 1.00 22.12 H new ATOM 2290 N LEU A 302 15.752 -4.485 18.768 1.00 13.07 N ANISOU 2290 N LEU A 302 1828 1179 1960 111 -77 -129 N ATOM 2291 CA LEU A 302 15.108 -3.543 17.866 1.00 12.96 C ANISOU 2291 CA LEU A 302 1783 1227 1916 87 -63 -149 C ATOM 2292 C LEU A 302 15.024 -4.106 16.457 1.00 16.36 C ANISOU 2292 C LEU A 302 2213 1657 2345 89 -53 -203 C ATOM 2293 O LEU A 302 13.956 -4.028 15.843 1.00 15.23 O ANISOU 2293 O LEU A 302 2067 1535 2184 50 -47 -222 O ATOM 2294 CB LEU A 302 15.857 -2.219 17.869 1.00 13.23 C ANISOU 2294 CB LEU A 302 1777 1318 1933 109 -60 -134 C ATOM 2295 CG LEU A 302 15.641 -1.355 19.120 1.00 15.03 C ANISOU 2295 CG LEU A 302 1998 1562 2150 95 -67 -88 C ATOM 2296 CD1 LEU A 302 16.667 -0.207 19.138 1.00 16.92 C ANISOU 2296 CD1 LEU A 302 2204 1846 2380 121 -65 -77 C ATOM 2297 CD2 LEU A 302 14.253 -0.751 19.166 1.00 16.17 C ANISOU 2297 CD2 LEU A 302 2138 1733 2273 50 -60 -81 C ATOM 0 H LEU A 302 16.506 -4.225 19.089 1.00 13.07 H new ATOM 0 HA LEU A 302 14.203 -3.391 18.180 1.00 12.96 H new ATOM 0 HB2 LEU A 302 16.806 -2.399 17.776 1.00 13.23 H new ATOM 0 HB3 LEU A 302 15.588 -1.709 17.089 1.00 13.23 H new ATOM 0 HG LEU A 302 15.750 -1.935 19.890 1.00 15.03 H new ATOM 0 HD11 LEU A 302 16.529 0.338 19.929 1.00 16.92 H new ATOM 0 HD12 LEU A 302 17.564 -0.575 19.152 1.00 16.92 H new ATOM 0 HD13 LEU A 302 16.554 0.340 18.345 1.00 16.92 H new ATOM 0 HD21 LEU A 302 14.160 -0.215 19.969 1.00 16.17 H new ATOM 0 HD22 LEU A 302 14.118 -0.190 18.386 1.00 16.17 H new ATOM 0 HD23 LEU A 302 13.591 -1.460 19.172 1.00 16.17 H new ATOM 2298 N LYS A 303 16.110 -4.704 15.958 1.00 15.15 N ANISOU 2298 N LYS A 303 2061 1483 2211 133 -52 -231 N ATOM 2299 CA LYS A 303 16.078 -5.293 14.622 1.00 15.74 C ANISOU 2299 CA LYS A 303 2138 1560 2283 136 -40 -289 C ATOM 2300 C LYS A 303 15.068 -6.433 14.541 1.00 19.48 C ANISOU 2300 C LYS A 303 2654 1977 2771 98 -42 -311 C ATOM 2301 O LYS A 303 14.408 -6.577 13.503 1.00 18.97 O ANISOU 2301 O LYS A 303 2585 1934 2688 70 -34 -353 O ATOM 2302 CB LYS A 303 17.453 -5.775 14.221 1.00 17.06 C ANISOU 2302 CB LYS A 303 2299 1713 2470 194 -37 -317 C ATOM 2303 CG LYS A 303 18.385 -4.647 13.793 1.00 22.56 C ANISOU 2303 CG LYS A 303 2946 2482 3144 221 -28 -313 C ATOM 2304 CD LYS A 303 19.810 -5.140 13.513 1.00 29.20 C ANISOU 2304 CD LYS A 303 3774 3314 4006 282 -24 -338 C ATOM 2305 CE LYS A 303 20.051 -5.688 12.116 1.00 41.48 C ANISOU 2305 CE LYS A 303 5324 4881 5555 297 -6 -405 C ATOM 2306 NZ LYS A 303 19.277 -6.933 11.828 1.00 57.69 N ANISOU 2306 NZ LYS A 303 7424 6870 7627 277 -8 -441 N ATOM 0 H LYS A 303 16.861 -4.777 16.371 1.00 15.15 H new ATOM 0 HA LYS A 303 15.797 -4.603 14.001 1.00 15.74 H new ATOM 0 HB2 LYS A 303 17.852 -6.251 14.966 1.00 17.06 H new ATOM 0 HB3 LYS A 303 17.367 -6.409 13.492 1.00 17.06 H new ATOM 0 HG2 LYS A 303 18.030 -4.222 12.996 1.00 22.56 H new ATOM 0 HG3 LYS A 303 18.410 -3.971 14.488 1.00 22.56 H new ATOM 0 HD2 LYS A 303 20.425 -4.406 13.666 1.00 29.20 H new ATOM 0 HD3 LYS A 303 20.028 -5.832 14.157 1.00 29.20 H new ATOM 0 HE2 LYS A 303 19.815 -5.010 11.464 1.00 41.48 H new ATOM 0 HE3 LYS A 303 20.997 -5.870 12.006 1.00 41.48 H new ATOM 0 HZ1 LYS A 303 19.669 -7.380 11.166 1.00 57.69 H new ATOM 0 HZ2 LYS A 303 19.253 -7.443 12.557 1.00 57.69 H new ATOM 0 HZ3 LYS A 303 18.447 -6.718 11.589 1.00 57.69 H new ATOM 2307 N ASP A 304 14.922 -7.236 15.613 1.00 16.61 N ANISOU 2307 N ASP A 304 2330 1544 2437 92 -54 -283 N ATOM 2308 CA ASP A 304 13.940 -8.328 15.626 1.00 16.98 C ANISOU 2308 CA ASP A 304 2421 1533 2499 47 -56 -300 C ATOM 2309 C ASP A 304 12.519 -7.746 15.572 1.00 18.32 C ANISOU 2309 C ASP A 304 2575 1750 2637 -17 -53 -292 C ATOM 2310 O ASP A 304 11.679 -8.244 14.821 1.00 18.83 O ANISOU 2310 O ASP A 304 2648 1812 2693 -57 -48 -331 O ATOM 2311 CB ASP A 304 14.131 -9.217 16.870 1.00 20.20 C ANISOU 2311 CB ASP A 304 2875 1859 2942 54 -71 -260 C ATOM 2312 CG ASP A 304 13.074 -10.306 17.032 1.00 38.93 C ANISOU 2312 CG ASP A 304 5295 4166 5329 -2 -72 -267 C ATOM 2313 OD1 ASP A 304 12.842 -11.062 16.062 1.00 40.82 O ANISOU 2313 OD1 ASP A 304 5553 4378 5579 -14 -65 -323 O ATOM 2314 OD2 ASP A 304 12.485 -10.402 18.130 1.00 49.36 O ANISOU 2314 OD2 ASP A 304 6636 5466 6651 -37 -80 -218 O ATOM 0 H ASP A 304 15.382 -7.162 16.336 1.00 16.61 H new ATOM 0 HA ASP A 304 14.075 -8.886 14.844 1.00 16.98 H new ATOM 0 HB2 ASP A 304 15.006 -9.634 16.825 1.00 20.20 H new ATOM 0 HB3 ASP A 304 14.125 -8.655 17.660 1.00 20.20 H new ATOM 2315 N HIS A 305 12.255 -6.653 16.317 1.00 16.24 N ANISOU 2315 N HIS A 305 2284 1533 2352 -26 -55 -245 N ATOM 2316 CA HIS A 305 10.959 -5.999 16.247 1.00 16.31 C ANISOU 2316 CA HIS A 305 2271 1594 2331 -78 -51 -238 C ATOM 2317 C HIS A 305 10.730 -5.483 14.810 1.00 19.69 C ANISOU 2317 C HIS A 305 2666 2084 2731 -80 -43 -281 C ATOM 2318 O HIS A 305 9.635 -5.659 14.262 1.00 18.14 O ANISOU 2318 O HIS A 305 2465 1909 2519 -125 -41 -304 O ATOM 2319 CB HIS A 305 10.903 -4.811 17.220 1.00 16.43 C ANISOU 2319 CB HIS A 305 2262 1651 2331 -74 -53 -188 C ATOM 2320 CG HIS A 305 9.763 -3.886 16.924 1.00 19.10 C ANISOU 2320 CG HIS A 305 2566 2054 2637 -109 -48 -186 C ATOM 2321 ND1 HIS A 305 8.529 -4.045 17.535 1.00 22.38 N ANISOU 2321 ND1 HIS A 305 2985 2473 3046 -159 -47 -172 N ATOM 2322 CD2 HIS A 305 9.684 -2.860 16.041 1.00 19.87 C ANISOU 2322 CD2 HIS A 305 2625 2217 2709 -98 -43 -198 C ATOM 2323 CE1 HIS A 305 7.745 -3.105 17.019 1.00 21.17 C ANISOU 2323 CE1 HIS A 305 2793 2386 2865 -173 -43 -177 C ATOM 2324 NE2 HIS A 305 8.385 -2.401 16.078 1.00 20.27 N ANISOU 2324 NE2 HIS A 305 2655 2308 2739 -137 -42 -192 N ATOM 0 H HIS A 305 12.814 -6.288 16.859 1.00 16.24 H new ATOM 0 HA HIS A 305 10.271 -6.639 16.490 1.00 16.31 H new ATOM 0 HB2 HIS A 305 10.820 -5.143 18.128 1.00 16.43 H new ATOM 0 HB3 HIS A 305 11.737 -4.318 17.173 1.00 16.43 H new ATOM 0 HD1 HIS A 305 8.315 -4.632 18.126 1.00 22.38 H new ATOM 0 HD2 HIS A 305 10.374 -2.530 15.512 1.00 19.87 H new ATOM 0 HE1 HIS A 305 6.865 -2.955 17.278 1.00 21.17 H new ATOM 2325 N ILE A 306 11.738 -4.843 14.208 1.00 16.32 N ANISOU 2325 N ILE A 306 2214 1692 2296 -35 -38 -290 N ATOM 2326 CA ILE A 306 11.647 -4.292 12.832 1.00 17.42 C ANISOU 2326 CA ILE A 306 2321 1894 2402 -34 -30 -325 C ATOM 2327 C ILE A 306 11.310 -5.409 11.826 1.00 21.35 C ANISOU 2327 C ILE A 306 2839 2372 2901 -54 -27 -385 C ATOM 2328 O ILE A 306 10.378 -5.262 11.019 1.00 20.77 O ANISOU 2328 O ILE A 306 2749 2343 2798 -90 -26 -408 O ATOM 2329 CB ILE A 306 12.942 -3.511 12.482 1.00 19.24 C ANISOU 2329 CB ILE A 306 2526 2159 2626 16 -24 -320 C ATOM 2330 CG1 ILE A 306 13.029 -2.237 13.336 1.00 17.74 C ANISOU 2330 CG1 ILE A 306 2314 2000 2429 23 -27 -266 C ATOM 2331 CG2 ILE A 306 13.030 -3.194 10.964 1.00 19.42 C ANISOU 2331 CG2 ILE A 306 2522 2241 2616 19 -14 -360 C ATOM 2332 CD1 ILE A 306 14.431 -1.664 13.433 1.00 19.01 C ANISOU 2332 CD1 ILE A 306 2456 2173 2593 68 -24 -253 C ATOM 0 H ILE A 306 12.501 -4.712 14.582 1.00 16.32 H new ATOM 0 HA ILE A 306 10.918 -3.654 12.780 1.00 17.42 H new ATOM 0 HB ILE A 306 13.705 -4.072 12.689 1.00 19.24 H new ATOM 0 HG12 ILE A 306 12.438 -1.565 12.961 1.00 17.74 H new ATOM 0 HG13 ILE A 306 12.705 -2.433 14.229 1.00 17.74 H new ATOM 0 HG21 ILE A 306 13.849 -2.707 10.782 1.00 19.42 H new ATOM 0 HG22 ILE A 306 13.028 -4.023 10.460 1.00 19.42 H new ATOM 0 HG23 ILE A 306 12.268 -2.654 10.701 1.00 19.42 H new ATOM 0 HD11 ILE A 306 14.417 -0.865 13.983 1.00 19.01 H new ATOM 0 HD12 ILE A 306 15.022 -2.321 13.833 1.00 19.01 H new ATOM 0 HD13 ILE A 306 14.751 -1.439 12.545 1.00 19.01 H new ATOM 2333 N ASP A 307 12.033 -6.533 11.901 1.00 21.22 N ANISOU 2333 N ASP A 307 2858 2287 2919 -31 -26 -410 N ATOM 2334 CA ASP A 307 11.832 -7.674 11.006 1.00 21.86 C ANISOU 2334 CA ASP A 307 2963 2335 3007 -46 -21 -473 C ATOM 2335 C ASP A 307 10.423 -8.257 11.166 1.00 26.58 C ANISOU 2335 C ASP A 307 3583 2914 3604 -114 -27 -480 C ATOM 2336 O ASP A 307 9.769 -8.517 10.151 1.00 27.04 O ANISOU 2336 O ASP A 307 3635 3001 3639 -147 -23 -528 O ATOM 2337 CB ASP A 307 12.909 -8.737 11.260 1.00 24.67 C ANISOU 2337 CB ASP A 307 3356 2611 3407 -1 -20 -491 C ATOM 2338 CG ASP A 307 12.888 -9.872 10.256 1.00 46.01 C ANISOU 2338 CG ASP A 307 6086 5278 6119 -6 -13 -565 C ATOM 2339 OD1 ASP A 307 12.988 -9.591 9.037 1.00 48.88 O ANISOU 2339 OD1 ASP A 307 6422 5701 6450 -3 -2 -612 O ATOM 2340 OD2 ASP A 307 12.781 -11.041 10.687 1.00 56.58 O ANISOU 2340 OD2 ASP A 307 7474 6527 7497 -14 -17 -577 O ATOM 0 H ASP A 307 12.659 -6.653 12.479 1.00 21.22 H new ATOM 0 HA ASP A 307 11.915 -7.368 10.089 1.00 21.86 H new ATOM 0 HB2 ASP A 307 13.782 -8.314 11.241 1.00 24.67 H new ATOM 0 HB3 ASP A 307 12.790 -9.101 12.151 1.00 24.67 H new ATOM 2341 N ARG A 308 9.948 -8.436 12.412 1.00 23.37 N ANISOU 2341 N ARG A 308 3197 2466 3217 -137 -34 -433 N ATOM 2342 CA ARG A 308 8.603 -8.963 12.719 1.00 24.73 C ANISOU 2342 CA ARG A 308 3386 2622 3388 -207 -38 -432 C ATOM 2343 C ARG A 308 7.485 -8.052 12.194 1.00 28.49 C ANISOU 2343 C ARG A 308 3815 3191 3820 -246 -38 -434 C ATOM 2344 O ARG A 308 6.485 -8.553 11.664 1.00 29.44 O ANISOU 2344 O ARG A 308 3936 3321 3927 -300 -39 -468 O ATOM 2345 CB ARG A 308 8.407 -9.166 14.230 1.00 26.53 C ANISOU 2345 CB ARG A 308 3640 2801 3639 -221 -44 -374 C ATOM 2346 CG ARG A 308 9.061 -10.418 14.805 1.00 41.38 C ANISOU 2346 CG ARG A 308 5579 4575 5566 -205 -49 -371 C ATOM 2347 CD ARG A 308 9.296 -10.300 16.306 1.00 55.80 C ANISOU 2347 CD ARG A 308 7422 6371 7408 -196 -56 -302 C ATOM 2348 NE ARG A 308 8.056 -10.112 17.065 1.00 72.89 N ANISOU 2348 NE ARG A 308 9583 8557 9556 -261 -56 -269 N ATOM 2349 CZ ARG A 308 7.998 -9.650 18.311 1.00 95.53 C ANISOU 2349 CZ ARG A 308 12447 11430 12418 -263 -60 -209 C ATOM 2350 NH1 ARG A 308 9.110 -9.316 18.955 1.00 86.22 N ANISOU 2350 NH1 ARG A 308 11271 10239 11250 -206 -66 -175 N ATOM 2351 NH2 ARG A 308 6.828 -9.512 18.920 1.00 86.37 N ANISOU 2351 NH2 ARG A 308 11281 10296 11241 -323 -56 -186 N ATOM 0 H ARG A 308 10.408 -8.251 13.115 1.00 23.37 H new ATOM 0 HA ARG A 308 8.546 -9.819 12.266 1.00 24.73 H new ATOM 0 HB2 ARG A 308 8.760 -8.391 14.695 1.00 26.53 H new ATOM 0 HB3 ARG A 308 7.456 -9.200 14.417 1.00 26.53 H new ATOM 0 HG2 ARG A 308 8.498 -11.187 14.626 1.00 41.38 H new ATOM 0 HG3 ARG A 308 9.907 -10.575 14.357 1.00 41.38 H new ATOM 0 HD2 ARG A 308 9.745 -11.100 16.622 1.00 55.80 H new ATOM 0 HD3 ARG A 308 9.891 -9.554 16.478 1.00 55.80 H new ATOM 0 HE ARG A 308 7.315 -10.314 16.678 1.00 72.89 H new ATOM 0 HH11 ARG A 308 9.873 -9.398 18.567 1.00 86.22 H new ATOM 0 HH12 ARG A 308 9.067 -9.018 19.760 1.00 86.22 H new ATOM 0 HH21 ARG A 308 6.102 -9.722 18.509 1.00 86.37 H new ATOM 0 HH22 ARG A 308 6.795 -9.213 19.726 1.00 86.37 H new ATOM 2352 N THR A 309 7.652 -6.722 12.342 1.00 24.33 N ANISOU 2352 N THR A 309 3246 2728 3269 -219 -38 -397 N ATOM 2353 CA THR A 309 6.677 -5.726 11.912 1.00 23.93 C ANISOU 2353 CA THR A 309 3150 2764 3180 -243 -40 -390 C ATOM 2354 C THR A 309 6.559 -5.734 10.400 1.00 29.28 C ANISOU 2354 C THR A 309 3808 3492 3827 -248 -39 -442 C ATOM 2355 O THR A 309 5.438 -5.664 9.888 1.00 29.91 O ANISOU 2355 O THR A 309 3865 3620 3880 -291 -44 -458 O ATOM 2356 CB THR A 309 7.007 -4.355 12.534 1.00 25.68 C ANISOU 2356 CB THR A 309 3340 3024 3391 -208 -40 -337 C ATOM 2357 OG1 THR A 309 6.963 -4.491 13.955 1.00 25.41 O ANISOU 2357 OG1 THR A 309 3326 2946 3381 -214 -41 -295 O ATOM 2358 CG2 THR A 309 5.999 -3.271 12.138 1.00 26.59 C ANISOU 2358 CG2 THR A 309 3409 3222 3471 -225 -43 -325 C ATOM 0 H THR A 309 8.353 -6.378 12.703 1.00 24.33 H new ATOM 0 HA THR A 309 5.792 -5.948 12.240 1.00 23.93 H new ATOM 0 HB THR A 309 7.881 -4.086 12.211 1.00 25.68 H new ATOM 0 HG1 THR A 309 7.683 -4.828 14.227 1.00 25.41 H new ATOM 0 HG21 THR A 309 6.248 -2.430 12.552 1.00 26.59 H new ATOM 0 HG22 THR A 309 5.997 -3.168 11.174 1.00 26.59 H new ATOM 0 HG23 THR A 309 5.113 -3.528 12.437 1.00 26.59 H new ATOM 2359 N LYS A 310 7.701 -5.855 9.689 1.00 26.74 N ANISOU 2359 N LYS A 310 3491 3162 3506 -204 -33 -469 N ATOM 2360 CA LYS A 310 7.766 -5.907 8.226 1.00 28.03 C ANISOU 2360 CA LYS A 310 3638 3375 3636 -205 -29 -522 C ATOM 2361 C LYS A 310 7.047 -7.161 7.700 1.00 36.66 C ANISOU 2361 C LYS A 310 4757 4439 4733 -256 -31 -580 C ATOM 2362 O LYS A 310 6.339 -7.080 6.695 1.00 36.03 O ANISOU 2362 O LYS A 310 4655 4421 4615 -287 -34 -615 O ATOM 2363 CB LYS A 310 9.225 -5.873 7.750 1.00 31.13 C ANISOU 2363 CB LYS A 310 4033 3759 4034 -148 -18 -539 C ATOM 2364 CG LYS A 310 9.380 -5.675 6.237 1.00 44.30 C ANISOU 2364 CG LYS A 310 5678 5497 5659 -145 -12 -585 C ATOM 2365 CD LYS A 310 10.830 -5.785 5.763 1.00 52.41 C ANISOU 2365 CD LYS A 310 6707 6517 6691 -91 2 -610 C ATOM 2366 CE LYS A 310 11.632 -4.513 5.934 1.00 63.65 C ANISOU 2366 CE LYS A 310 8098 7983 8102 -52 6 -560 C ATOM 2367 NZ LYS A 310 11.116 -3.392 5.100 1.00 72.41 N ANISOU 2367 NZ LYS A 310 9170 9186 9158 -67 4 -543 N ATOM 0 H LYS A 310 8.474 -5.910 10.062 1.00 26.74 H new ATOM 0 HA LYS A 310 7.314 -5.126 7.869 1.00 28.03 H new ATOM 0 HB2 LYS A 310 9.690 -5.157 8.210 1.00 31.13 H new ATOM 0 HB3 LYS A 310 9.659 -6.702 8.005 1.00 31.13 H new ATOM 0 HG2 LYS A 310 8.843 -6.336 5.773 1.00 44.30 H new ATOM 0 HG3 LYS A 310 9.031 -4.804 5.993 1.00 44.30 H new ATOM 0 HD2 LYS A 310 11.267 -6.500 6.252 1.00 52.41 H new ATOM 0 HD3 LYS A 310 10.836 -6.037 4.826 1.00 52.41 H new ATOM 0 HE2 LYS A 310 11.619 -4.250 6.867 1.00 63.65 H new ATOM 0 HE3 LYS A 310 12.558 -4.685 5.701 1.00 63.65 H new ATOM 0 HZ1 LYS A 310 11.702 -2.722 5.108 1.00 72.41 H new ATOM 0 HZ2 LYS A 310 10.998 -3.673 4.264 1.00 72.41 H new ATOM 0 HZ3 LYS A 310 10.339 -3.110 5.430 1.00 72.41 H new ATOM 2368 N LYS A 311 7.190 -8.298 8.412 1.00 36.54 N ANISOU 2368 N LYS A 311 4790 4331 4762 -266 -30 -589 N ATOM 2369 CA LYS A 311 6.556 -9.573 8.051 1.00 39.19 C ANISOU 2369 CA LYS A 311 5160 4621 5109 -318 -30 -644 C ATOM 2370 C LYS A 311 5.053 -9.600 8.338 1.00 48.54 C ANISOU 2370 C LYS A 311 6332 5832 6279 -391 -39 -633 C ATOM 2371 O LYS A 311 4.301 -10.191 7.555 1.00 48.81 O ANISOU 2371 O LYS A 311 6367 5884 6296 -442 -41 -685 O ATOM 2372 CB LYS A 311 7.259 -10.743 8.755 1.00 41.99 C ANISOU 2372 CB LYS A 311 5575 4859 5520 -301 -27 -650 C ATOM 2373 CG LYS A 311 8.598 -11.102 8.127 1.00 57.74 C ANISOU 2373 CG LYS A 311 7584 6826 7529 -238 -17 -691 C ATOM 2374 CD LYS A 311 9.278 -12.249 8.867 1.00 68.78 C ANISOU 2374 CD LYS A 311 9041 8106 8986 -214 -16 -692 C ATOM 2375 CE LYS A 311 10.447 -12.826 8.102 1.00 80.69 C ANISOU 2375 CE LYS A 311 10564 9583 10511 -157 -6 -750 C ATOM 2376 NZ LYS A 311 11.600 -11.887 8.032 1.00 88.28 N ANISOU 2376 NZ LYS A 311 11487 10596 11460 -88 0 -726 N ATOM 0 H LYS A 311 7.666 -8.344 9.127 1.00 36.54 H new ATOM 0 HA LYS A 311 6.656 -9.668 7.091 1.00 39.19 H new ATOM 0 HB2 LYS A 311 7.396 -10.516 9.688 1.00 41.99 H new ATOM 0 HB3 LYS A 311 6.680 -11.521 8.734 1.00 41.99 H new ATOM 0 HG2 LYS A 311 8.464 -11.349 7.199 1.00 57.74 H new ATOM 0 HG3 LYS A 311 9.177 -10.324 8.133 1.00 57.74 H new ATOM 0 HD2 LYS A 311 9.586 -11.934 9.731 1.00 68.78 H new ATOM 0 HD3 LYS A 311 8.629 -12.950 9.035 1.00 68.78 H new ATOM 0 HE2 LYS A 311 10.731 -13.652 8.525 1.00 80.69 H new ATOM 0 HE3 LYS A 311 10.162 -13.051 7.203 1.00 80.69 H new ATOM 0 HZ1 LYS A 311 12.077 -12.057 7.300 1.00 88.28 H new ATOM 0 HZ2 LYS A 311 11.300 -11.050 8.002 1.00 88.28 H new ATOM 0 HZ3 LYS A 311 12.113 -11.993 8.751 1.00 88.28 H new ATOM 2377 N LYS A 312 4.619 -8.979 9.458 1.00 48.33 N ANISOU 2377 N LYS A 312 6292 5814 6258 -397 -43 -569 N ATOM 2378 CA LYS A 312 3.217 -8.911 9.897 1.00 49.79 C ANISOU 2378 CA LYS A 312 6457 6030 6430 -462 -48 -552 C ATOM 2379 C LYS A 312 2.308 -8.147 8.928 1.00 57.69 C ANISOU 2379 C LYS A 312 7400 7139 7379 -484 -56 -569 C ATOM 2380 O LYS A 312 1.127 -8.485 8.814 1.00 58.50 O ANISOU 2380 O LYS A 312 7489 7270 7468 -548 -62 -586 O ATOM 2381 CB LYS A 312 3.110 -8.319 11.309 1.00 51.85 C ANISOU 2381 CB LYS A 312 6714 6282 6706 -452 -48 -481 C ATOM 0 H LYS A 312 5.156 -8.575 9.995 1.00 48.33 H new ATOM 0 HA LYS A 312 2.899 -9.827 9.909 1.00 49.79 H new ATOM 2382 N ARG A 313 2.853 -7.124 8.239 1.00 55.59 N ANISOU 2382 N ARG A 313 7101 6936 7085 -433 -57 -561 N ATOM 2383 CA ARG A 313 2.113 -6.316 7.265 1.00 56.25 C ANISOU 2383 CA ARG A 313 7132 7123 7118 -444 -67 -570 C ATOM 2384 C ARG A 313 1.854 -7.101 5.975 1.00 62.59 C ANISOU 2384 C ARG A 313 7938 7949 7896 -479 -70 -642 C ATOM 2385 O ARG A 313 0.743 -7.053 5.441 1.00 63.05 O ANISOU 2385 O ARG A 313 7963 8074 7920 -526 -82 -660 O ATOM 2386 CB ARG A 313 2.857 -5.003 6.968 1.00 56.30 C ANISOU 2386 CB ARG A 313 7109 7179 7104 -380 -66 -534 C ATOM 0 H ARG A 313 3.673 -6.883 8.331 1.00 55.59 H new ATOM 0 HA ARG A 313 1.252 -6.096 7.654 1.00 56.25 H new ATOM 2387 N GLY A 314 2.872 -7.824 5.507 1.00 59.80 N ANISOU 2387 N GLY A 314 7623 7542 7557 -456 -60 -685 N ATOM 2388 CA GLY A 314 2.802 -8.639 4.300 1.00 88.79 C ANISOU 2388 CA GLY A 314 11304 11225 11206 -485 -60 -762 C ATOM 2389 C GLY A 314 3.905 -8.327 3.313 1.00113.67 C ANISOU 2389 C GLY A 314 14450 14405 14334 -432 -52 -788 C ATOM 2390 O GLY A 314 4.178 -7.160 3.030 1.00 74.67 O ANISOU 2390 O GLY A 314 9473 9534 9363 -394 -54 -749 O ATOM 0 H GLY A 314 3.640 -7.853 5.894 1.00 59.80 H new ATOM 0 HA2 GLY A 314 2.850 -9.576 4.545 1.00 88.79 H new ATOM 0 HA3 GLY A 314 1.943 -8.501 3.872 1.00 88.79 H new TER 2391 GLY A 314 HETATM 2392 C1 EDO A 401 2.402 25.857 18.217 1.00 26.49 C ANISOU 2392 C1 EDO A 401 3255 3179 3632 415 -12 154 C HETATM 2393 O1 EDO A 401 1.152 26.058 17.590 1.00 30.93 O ANISOU 2393 O1 EDO A 401 3782 3775 4193 463 -27 170 O HETATM 2394 C2 EDO A 401 3.517 26.603 17.467 1.00 25.00 C ANISOU 2394 C2 EDO A 401 3109 2940 3450 402 -18 193 C HETATM 2395 O2 EDO A 401 3.719 26.011 16.194 1.00 26.04 O ANISOU 2395 O2 EDO A 401 3230 3112 3552 387 -35 228 O HETATM 0 HO2 EDO A 401 4.013 25.230 16.291 1.00 26.04 H new HETATM 0 HO1 EDO A 401 1.266 26.161 16.764 1.00 30.93 H new HETATM 0 H22 EDO A 401 3.280 27.538 17.364 1.00 25.00 H new HETATM 0 H21 EDO A 401 4.339 26.574 17.981 1.00 25.00 H new HETATM 0 H12 EDO A 401 2.361 26.167 19.135 1.00 26.49 H new HETATM 0 H11 EDO A 401 2.605 24.909 18.246 1.00 26.49 H new HETATM 2396 MG MG A 402 23.588 11.341 8.252 1.00 11.04 MG2+ HETATM 2397 C1 JWK A 403 9.281 6.995 7.008 1.00 11.91 C HETATM 2398 C2 JWK A 403 9.060 7.139 8.513 1.00 12.80 C HETATM 2399 C3 JWK A 403 10.450 7.857 6.506 1.00 10.54 C HETATM 2400 C7 JWK A 403 10.559 12.036 6.684 1.00 10.03 C HETATM 2401 C8 JWK A 403 9.362 11.400 7.019 1.00 10.86 C HETATM 2402 C9 JWK A 403 9.263 10.054 6.901 1.00 9.83 C HETATM 2403 C10 JWK A 403 10.394 9.284 6.552 1.00 10.15 C HETATM 2404 C11 JWK A 403 10.667 13.511 6.684 1.00 10.16 C HETATM 2405 C12 JWK A 403 9.691 14.316 7.274 1.00 12.07 C HETATM 2406 C13 JWK A 403 9.827 15.688 7.219 1.00 13.80 C HETATM 2407 C14 JWK A 403 11.746 15.520 6.100 1.00 12.97 C HETATM 2408 C15 JWK A 403 11.730 14.141 6.036 1.00 11.80 C HETATM 2409 F JWK A 403 12.769 16.153 5.482 1.00 17.12 F HETATM 2410 N3 JWK A 403 10.851 16.309 6.620 1.00 12.38 N HETATM 2411 N2 JWK A 403 11.645 11.366 6.306 1.00 9.32 N HETATM 2412 O JWK A 403 8.061 7.433 6.383 1.00 14.34 O HETATM 2413 C JWK A 403 9.474 5.521 6.663 1.00 15.38 C HETATM 2414 C6 JWK A 403 11.583 10.009 6.240 1.00 8.79 C HETATM 2415 C5 JWK A 403 12.757 9.272 5.943 1.00 9.51 C HETATM 2416 N1 JWK A 403 13.900 9.972 5.761 1.00 9.95 N HETATM 2417 N JWK A 403 12.760 7.946 5.845 1.00 10.72 N HETATM 2418 C4 JWK A 403 11.640 7.258 6.132 1.00 11.43 C HETATM 2419 O HOH A 501 8.267 18.327 11.967 1.00 34.68 O HETATM 2420 O HOH A 502 13.223 19.237 36.405 1.00 39.70 O HETATM 2421 O HOH A 503 6.422 15.942 -7.897 1.00 18.58 O HETATM 2422 O HOH A 504 23.379 12.141 -4.188 1.00 19.84 O HETATM 2423 O HOH A 505 23.365 8.925 8.189 1.00 22.60 O HETATM 2424 O HOH A 506 4.608 20.683 -4.795 1.00 33.17 O HETATM 2425 O HOH A 507 7.583 36.222 19.302 1.00 28.58 O HETATM 2426 O HOH A 508 11.453 24.591 4.242 1.00 29.76 O HETATM 2427 O HOH A 509 28.019 9.608 27.444 1.00 41.41 O HETATM 2428 O HOH A 510 7.789 16.236 10.595 1.00 23.99 O HETATM 2429 O HOH A 511 33.009 29.034 23.205 1.00 22.91 O HETATM 2430 O HOH A 512 21.541 1.962 9.128 1.00 30.73 O HETATM 2431 O HOH A 513 27.658 18.656 23.464 1.00 40.22 O HETATM 2432 O HOH A 514 5.292 18.535 -11.076 1.00 28.29 O HETATM 2433 O HOH A 515 30.305 32.537 18.560 1.00 45.99 O HETATM 2434 O HOH A 516 3.173 1.728 38.850 1.00 16.22 O HETATM 2435 O HOH A 517 12.962 21.750 11.980 1.00 14.62 O HETATM 2436 O HOH A 518 21.596 29.692 22.204 1.00 35.26 O HETATM 2437 O HOH A 519 21.203 3.373 30.955 1.00 16.65 O HETATM 2438 O HOH A 520 22.378 5.475 -5.792 1.00 31.77 O HETATM 2439 O HOH A 521 26.502 8.737 17.343 1.00 38.43 O HETATM 2440 O HOH A 522 4.997 6.103 34.111 1.00 17.51 O HETATM 2441 O HOH A 523 15.568 27.773 25.278 1.00 17.24 O HETATM 2442 O HOH A 524 20.780 -5.752 30.983 1.00 22.81 O HETATM 2443 O HOH A 525 14.764 18.620 6.510 1.00 13.33 O HETATM 2444 O HOH A 526 -3.082 21.763 36.196 1.00 35.91 O HETATM 2445 O HOH A 527 18.602 5.570 1.647 1.00 15.54 O HETATM 2446 O HOH A 528 18.809 -2.873 32.627 1.00 42.56 O HETATM 2447 O HOH A 529 5.463 8.467 12.141 1.00 18.98 O HETATM 2448 O HOH A 530 28.587 -5.140 27.990 1.00 26.68 O HETATM 2449 O HOH A 531 3.642 17.546 27.210 1.00 21.71 O HETATM 2450 O HOH A 532 9.600 21.813 5.068 1.00 32.55 O HETATM 2451 O HOH A 533 26.548 4.412 11.516 1.00 46.49 O HETATM 2452 O HOH A 534 18.944 23.398 37.331 1.00 37.98 O HETATM 2453 O HOH A 535 11.048 -1.951 8.088 1.00 30.27 O HETATM 2454 O HOH A 536 4.716 31.813 14.782 1.00 39.68 O HETATM 2455 O HOH A 537 2.956 18.429 35.400 1.00 25.78 O HETATM 2456 O HOH A 538 10.898 31.191 11.353 1.00 28.07 O HETATM 2457 O HOH A 539 20.802 0.593 26.276 1.00 16.15 O HETATM 2458 O HOH A 540 17.140 31.374 5.392 1.00 38.89 O HETATM 2459 O HOH A 541 3.852 4.177 2.173 1.00 39.75 O HETATM 2460 O HOH A 542 22.932 6.763 3.154 1.00 30.84 O HETATM 2461 O HOH A 543 11.204 10.955 -11.825 1.00 30.98 O HETATM 2462 O HOH A 544 23.616 21.179 23.657 1.00 15.72 O HETATM 2463 O HOH A 545 21.512 33.058 25.512 1.00 29.51 O HETATM 2464 O HOH A 546 5.512 30.271 28.817 1.00 27.64 O HETATM 2465 O HOH A 547 27.136 11.990 35.741 1.00 34.42 O HETATM 2466 O HOH A 548 5.223 21.901 32.845 1.00 13.25 O HETATM 2467 O HOH A 549 5.066 16.025 10.524 1.00 56.02 O HETATM 2468 O HOH A 550 4.340 11.994 32.592 1.00 19.74 O HETATM 2469 O HOH A 551 23.930 -5.739 17.979 1.00 32.72 O HETATM 2470 O HOH A 552 -0.572 29.851 31.017 1.00 20.52 O HETATM 2471 O HOH A 553 8.058 -2.794 26.062 1.00 21.58 O HETATM 2472 O HOH A 554 -1.155 27.156 18.520 1.00 39.39 O HETATM 2473 O HOH A 555 -1.157 0.434 19.430 1.00 32.81 O HETATM 2474 O HOH A 556 29.379 14.766 27.504 1.00 29.58 O HETATM 2475 O HOH A 557 25.093 8.695 5.225 1.00 26.88 O HETATM 2476 O HOH A 558 8.083 18.417 38.727 1.00 23.30 O HETATM 2477 O HOH A 559 1.203 5.922 2.728 1.00 30.64 O HETATM 2478 O HOH A 560 23.663 6.053 13.523 1.00 18.82 O HETATM 2479 O HOH A 561 8.298 20.963 11.610 1.00 50.43 O HETATM 2480 O HOH A 562 18.483 -9.870 23.439 1.00 32.52 O HETATM 2481 O HOH A 563 2.362 32.689 25.235 1.00 31.09 O HETATM 2482 O HOH A 564 20.000 34.894 17.158 1.00 25.93 O HETATM 2483 O HOH A 565 14.781 35.337 12.562 1.00 39.49 O HETATM 2484 O HOH A 566 16.552 -4.469 26.566 1.00 25.81 O HETATM 2485 O HOH A 567 9.493 -1.008 12.230 1.00 25.67 O HETATM 2486 O HOH A 568 12.347 20.853 -14.889 1.00 56.97 O HETATM 2487 O HOH A 569 22.728 0.531 32.557 1.00 44.51 O HETATM 2488 O HOH A 570 22.201 5.129 15.655 1.00 13.50 O HETATM 2489 O HOH A 571 -3.895 16.909 19.435 1.00 37.54 O HETATM 2490 O HOH A 572 20.464 28.906 28.572 1.00 24.07 O HETATM 2491 O HOH A 573 9.259 2.087 13.994 1.00 18.94 O HETATM 2492 O HOH A 574 -2.035 1.154 25.761 1.00 21.87 O HETATM 2493 O HOH A 575 2.624 5.972 14.448 1.00 46.24 O HETATM 2494 O HOH A 576 29.800 16.854 15.008 1.00 29.39 O HETATM 2495 O HOH A 577 22.848 36.264 24.308 1.00 33.83 O HETATM 2496 O HOH A 578 15.867 -5.320 10.745 1.00 39.59 O HETATM 2497 O HOH A 579 8.445 36.751 21.843 1.00 23.32 O HETATM 2498 O HOH A 580 8.622 25.987 7.771 1.00 42.67 O HETATM 2499 O HOH A 581 8.207 18.853 18.753 1.00 13.58 O HETATM 2500 O HOH A 582 30.045 30.412 24.659 1.00 24.57 O HETATM 2501 O HOH A 583 5.122 8.564 41.237 1.00 44.45 O HETATM 2502 O HOH A 584 10.032 0.374 4.943 1.00 36.53 O HETATM 2503 O HOH A 585 10.775 32.903 26.699 1.00 18.06 O HETATM 2504 O HOH A 586 4.857 16.834 37.472 1.00 29.89 O HETATM 2505 O HOH A 587 27.734 27.198 12.438 1.00 41.17 O HETATM 2506 O HOH A 588 13.213 26.201 7.326 1.00 23.97 O HETATM 2507 O HOH A 589 24.468 -6.532 24.975 1.00 22.73 O HETATM 2508 O HOH A 590 13.267 23.182 20.387 1.00 27.25 O HETATM 2509 O HOH A 591 18.946 4.292 5.729 1.00 33.29 O HETATM 2510 O HOH A 592 2.984 17.102 -4.095 1.00 19.23 O HETATM 2511 O HOH A 593 12.293 28.849 30.646 1.00 25.23 O HETATM 2512 O HOH A 594 3.016 10.641 20.434 1.00 25.28 O HETATM 2513 O HOH A 595 22.138 21.177 -2.461 1.00 33.28 O HETATM 2514 O HOH A 596 3.325 11.751 4.734 1.00 16.81 O HETATM 2515 O HOH A 597 5.026 2.829 -7.140 1.00 39.56 O HETATM 2516 O HOH A 598 0.328 5.393 22.850 1.00 27.90 O HETATM 2517 O HOH A 599 23.734 14.967 33.636 1.00 21.26 O HETATM 2518 O HOH A 600 30.281 26.484 23.010 1.00124.66 O HETATM 2519 O HOH A 601 11.300 38.768 21.775 1.00 24.37 O HETATM 2520 O HOH A 602 8.379 8.250 38.661 1.00 28.74 O HETATM 2521 O HOH A 603 20.994 -12.385 20.840 1.00 42.29 O HETATM 2522 O HOH A 604 4.102 4.415 41.219 1.00 30.74 O HETATM 2523 O HOH A 605 5.548 11.420 39.387 1.00 38.77 O HETATM 2524 O HOH A 606 11.101 36.495 14.700 1.00 40.06 O HETATM 2525 O HOH A 607 -0.585 11.980 28.241 1.00 28.30 O HETATM 2526 O HOH A 608 -0.064 15.909 2.053 1.00 18.39 O HETATM 2527 O HOH A 609 12.135 -7.365 20.035 1.00 26.87 O HETATM 2528 O HOH A 610 29.249 19.611 10.212 1.00 29.37 O HETATM 2529 O HOH A 611 23.028 -9.384 27.710 1.00 31.47 O HETATM 2530 O HOH A 612 18.859 31.537 29.090 1.00 32.64 O HETATM 2531 O HOH A 613 5.864 6.215 7.592 1.00 26.28 O HETATM 2532 O HOH A 614 6.291 19.305 1.651 1.00 34.45 O HETATM 2533 O HOH A 615 2.557 6.089 19.150 1.00 19.62 O HETATM 2534 O HOH A 616 0.748 29.511 27.917 1.00 23.15 O HETATM 2535 O HOH A 617 13.117 27.694 9.537 1.00 21.83 O HETATM 2536 O HOH A 618 8.088 -4.271 20.283 1.00 34.43 O HETATM 2537 O HOH A 619 27.648 14.257 18.529 1.00 21.85 O HETATM 2538 O HOH A 620 6.334 21.849 13.241 1.00 46.70 O HETATM 2539 O HOH A 621 11.295 4.075 42.067 1.00 29.57 O HETATM 2540 O HOH A 622 6.051 20.411 26.581 1.00 9.56 O HETATM 2541 O HOH A 623 9.472 -2.770 10.123 1.00 22.41 O HETATM 2542 O HOH A 624 2.381 10.748 29.226 1.00 21.88 O HETATM 2543 O HOH A 625 32.622 21.045 12.026 1.00 41.70 O HETATM 2544 O HOH A 626 28.491 2.404 21.611 1.00 38.09 O HETATM 2545 O HOH A 627 3.030 -7.514 29.748 1.00 27.78 O HETATM 2546 O HOH A 628 7.797 18.933 7.302 1.00 35.94 O HETATM 2547 O HOH A 629 23.544 27.822 7.501 1.00 50.15 O HETATM 2548 O HOH A 630 5.897 -4.450 25.754 1.00 31.55 O HETATM 2549 O HOH A 631 30.876 24.790 18.935 1.00 44.35 O HETATM 2550 O HOH A 632 28.489 10.817 6.425 1.00 19.61 O HETATM 2551 O HOH A 633 29.334 21.419 8.224 1.00 24.32 O HETATM 2552 O HOH A 634 8.329 -0.044 29.811 1.00 16.54 O HETATM 2553 O HOH A 635 5.761 17.987 12.433 1.00 26.26 O HETATM 2554 O HOH A 636 4.081 19.225 -2.541 1.00 21.83 O HETATM 2555 O HOH A 637 27.738 10.067 37.581 1.00 28.14 O HETATM 2556 O HOH A 638 0.229 11.467 -2.934 1.00 13.96 O HETATM 2557 O HOH A 639 -7.291 24.062 31.323 1.00 32.06 O HETATM 2558 O HOH A 640 20.907 28.876 6.952 1.00 35.50 O HETATM 2559 O HOH A 641 27.766 4.445 18.549 1.00 31.81 O HETATM 2560 O HOH A 642 10.411 -2.358 24.537 1.00 21.70 O HETATM 2561 O HOH A 643 19.853 30.108 4.723 1.00 51.41 O HETATM 2562 O HOH A 644 27.538 9.297 9.068 1.00 23.69 O HETATM 2563 O HOH A 645 10.017 24.458 19.397 1.00 19.04 O HETATM 2564 O HOH A 646 23.940 26.845 29.964 1.00 21.42 O HETATM 2565 O HOH A 647 7.739 -0.234 14.364 1.00 16.10 O HETATM 2566 O HOH A 648 22.225 -1.087 28.004 1.00 13.48 O HETATM 2567 O HOH A 649 18.821 7.221 -16.270 1.00 53.78 O HETATM 2568 O HOH A 650 17.657 14.813 8.068 1.00 11.76 O HETATM 2569 O HOH A 651 17.731 -9.239 15.384 1.00 29.72 O HETATM 2570 O HOH A 652 4.881 4.533 4.762 1.00 28.64 O HETATM 2571 O HOH A 653 3.633 18.745 2.637 1.00 27.17 O HETATM 2572 O HOH A 654 30.107 12.686 9.855 1.00 15.89 O HETATM 2573 O HOH A 655 -0.928 -3.273 23.331 1.00 24.24 O HETATM 2574 O HOH A 656 23.034 17.271 35.073 1.00 28.25 O HETATM 2575 O HOH A 657 14.320 35.177 16.368 1.00 20.80 O HETATM 2576 O HOH A 658 11.521 0.010 33.815 1.00 22.06 O HETATM 2577 O HOH A 659 8.611 -2.210 5.820 1.00 37.12 O HETATM 2578 O HOH A 660 3.496 8.113 20.780 1.00 29.19 O HETATM 2579 O HOH A 661 27.389 9.778 23.618 1.00 99.80 O HETATM 2580 O HOH A 662 25.024 22.320 30.535 1.00 14.83 O HETATM 2581 O HOH A 663 26.480 5.119 26.245 1.00 22.21 O HETATM 2582 O HOH A 664 4.982 21.672 -16.482 1.00 34.16 O HETATM 2583 O HOH A 665 12.639 25.770 19.780 1.00 23.88 O HETATM 2584 O HOH A 666 8.959 21.538 9.104 1.00 34.89 O HETATM 2585 O HOH A 667 5.935 15.233 -14.201 1.00 34.30 O HETATM 2586 O HOH A 668 5.718 12.229 18.021 1.00 19.21 O HETATM 2587 O HOH A 669 12.144 -1.281 31.320 1.00 20.48 O HETATM 2588 O HOH A 670 17.798 1.093 32.973 1.00 40.37 O HETATM 2589 O HOH A 671 3.141 24.584 39.407 1.00 29.22 O HETATM 2590 O HOH A 672 22.137 30.434 25.081 1.00 32.71 O HETATM 2591 O HOH A 673 7.296 28.346 32.936 1.00 32.07 O HETATM 2592 O HOH A 674 13.216 -0.192 38.244 1.00 39.23 O HETATM 2593 O HOH A 675 4.350 23.029 -0.891 1.00 38.60 O HETATM 2594 O HOH A 676 -0.434 6.846 26.845 1.00 55.34 O HETATM 2595 O HOH A 677 10.153 31.502 4.617 1.00 37.41 O HETATM 2596 O HOH A 678 14.041 37.955 26.344 1.00 46.20 O HETATM 2597 O HOH A 679 1.494 14.451 11.838 1.00 44.86 O HETATM 2598 O HOH A 680 7.414 7.911 -10.485 1.00 36.37 O HETATM 2599 O HOH A 681 6.217 17.893 4.265 1.00 63.41 O HETATM 2600 O HOH A 682 12.635 20.702 19.575 1.00 16.64 O HETATM 2601 O HOH A 683 18.195 1.252 -0.476 1.00 26.92 O HETATM 2602 O HOH A 684 9.772 13.232 -12.414 1.00 33.77 O HETATM 2603 O HOH A 685 2.862 15.455 16.051 1.00 23.80 O HETATM 2604 O HOH A 686 17.807 30.729 10.960 1.00 19.13 O HETATM 2605 O HOH A 687 19.354 34.016 14.687 1.00 24.84 O HETATM 2606 O HOH A 688 -0.518 14.321 31.369 1.00 25.05 O HETATM 2607 O HOH A 689 2.422 22.302 15.307 1.00 37.58 O HETATM 2608 O HOH A 690 6.236 33.965 16.506 1.00 24.77 O HETATM 2609 O HOH A 691 22.538 10.526 -8.378 1.00 55.91 O HETATM 2610 O HOH A 692 17.038 -7.281 27.522 1.00 44.25 O HETATM 2611 O HOH A 693 -1.052 33.304 31.998 1.00 45.05 O HETATM 2612 O HOH A 694 -2.156 9.332 8.846 1.00 70.63 O HETATM 2613 O HOH A 695 24.224 2.604 35.395 1.00 39.12 O HETATM 2614 O HOH A 696 27.617 -2.287 25.670 1.00 26.07 O HETATM 2615 O HOH A 697 15.540 9.506 41.038 1.00 32.25 O HETATM 2616 O HOH A 698 8.133 21.444 19.537 1.00 19.21 O HETATM 2617 O HOH A 699 16.666 1.545 6.418 1.00 25.55 O HETATM 2618 O HOH A 700 22.794 34.340 17.261 1.00 25.15 O HETATM 2619 O HOH A 701 28.922 10.963 11.910 1.00 15.09 O HETATM 2620 O HOH A 702 10.682 23.439 22.379 1.00 16.90 O HETATM 2621 O HOH A 703 17.131 32.238 35.635 1.00 39.96 O HETATM 2622 O HOH A 704 11.497 22.919 36.807 1.00 15.25 O HETATM 2623 O HOH A 705 6.772 3.706 2.456 1.00 35.00 O HETATM 2624 O HOH A 706 5.694 -5.779 21.695 1.00 27.32 O HETATM 2625 O HOH A 707 0.234 -1.923 20.875 1.00 40.32 O HETATM 2626 O HOH A 708 28.815 12.112 17.480 1.00 34.76 O HETATM 2627 O HOH A 709 12.700 25.454 36.783 1.00 15.39 O HETATM 2628 O HOH A 710 26.422 -4.520 24.607 1.00 20.31 O HETATM 2629 O HOH A 711 28.581 32.334 22.712 1.00 28.70 O HETATM 2630 O HOH A 712 12.807 35.760 27.628 1.00 34.13 O HETATM 2631 O HOH A 713 5.726 24.334 13.930 1.00 31.96 O HETATM 2632 O HOH A 714 26.906 20.869 25.315 1.00 25.05 O HETATM 2633 O HOH A 715 28.819 18.509 33.437 1.00 35.32 O HETATM 2634 O HOH A 716 15.264 15.749 7.015 1.00 11.50 O HETATM 2635 O HOH A 717 4.422 0.882 11.448 1.00 47.30 O HETATM 2636 O HOH A 718 19.277 -8.771 26.792 1.00 31.71 O HETATM 2637 O HOH A 719 25.601 17.049 5.075 1.00 10.98 O HETATM 2638 O HOH A 720 8.939 22.405 37.879 1.00 22.03 O HETATM 2639 O HOH A 721 1.830 18.863 32.953 1.00 18.27 O HETATM 2640 O HOH A 722 4.772 6.783 9.981 1.00 40.95 O HETATM 2641 O HOH A 723 -9.273 19.427 25.979 1.00 28.85 O HETATM 2642 O HOH A 724 20.482 36.902 20.219 1.00 26.91 O HETATM 2643 O HOH A 725 2.730 18.424 13.758 1.00 32.21 O HETATM 2644 O HOH A 726 26.936 20.558 21.659 1.00 42.25 O HETATM 2645 O HOH A 727 26.820 21.044 28.864 1.00 20.63 O HETATM 2646 O HOH A 728 8.593 40.223 18.920 1.00 50.27 O HETATM 2647 O HOH A 729 -1.625 29.362 20.035 1.00 44.04 O HETATM 2648 O HOH A 730 14.936 -2.188 30.195 1.00 18.00 O HETATM 2649 O HOH A 731 8.627 10.289 -10.259 1.00 19.04 O HETATM 2650 O HOH A 732 -2.003 32.762 23.402 1.00 35.78 O HETATM 2651 O HOH A 733 19.504 -0.233 7.248 1.00 44.51 O HETATM 2652 O HOH A 734 10.621 11.322 36.595 1.00 21.02 O HETATM 2653 O HOH A 735 7.240 0.731 -7.630 1.00 48.06 O HETATM 2654 O HOH A 736 4.000 14.814 35.901 1.00 29.84 O HETATM 2655 O HOH A 737 21.322 -0.958 30.644 1.00 24.59 O HETATM 2656 O HOH A 738 7.013 0.191 -1.754 1.00 56.00 O HETATM 2657 O HOH A 739 15.088 30.089 10.492 1.00 35.84 O HETATM 2658 O HOH A 740 0.845 29.731 23.579 1.00 40.33 O HETATM 2659 O HOH A 741 8.436 4.682 -9.543 1.00 37.07 O HETATM 2660 O HOH A 742 10.718 34.041 2.966 1.00 52.06 O HETATM 2661 O HOH A 743 11.938 0.934 40.412 1.00 38.61 O HETATM 2662 O HOH A 744 9.993 10.826 39.383 1.00 34.57 O HETATM 2663 O HOH A 745 0.858 19.224 19.883 1.00 29.48 O HETATM 2664 O HOH A 746 29.015 25.549 10.697 1.00 40.31 O HETATM 2665 O HOH A 747 12.218 9.204 -13.857 1.00 42.32 O HETATM 2666 O HOH A 748 22.681 9.559 -11.185 1.00 47.93 O HETATM 2667 O HOH A 749 20.970 9.404 38.366 1.00 30.10 O HETATM 2668 O HOH A 750 29.490 15.963 17.531 1.00 33.62 O HETATM 2669 O HOH A 751 16.950 19.099 37.781 1.00 32.39 O HETATM 2670 O HOH A 752 3.318 12.823 16.773 1.00 22.15 O HETATM 2671 O HOH A 753 14.924 0.266 3.904 1.00 51.92 O HETATM 2672 O HOH A 754 11.499 -1.413 -2.063 1.00 57.28 O HETATM 2673 O HOH A 755 22.424 26.093 18.839 1.00 34.00 O HETATM 2674 O HOH A 756 25.223 3.581 18.241 1.00 37.65 O HETATM 2675 O HOH A 757 22.697 21.113 -9.287 1.00 53.64 O HETATM 2676 O HOH A 758 6.419 16.630 8.288 1.00 41.79 O HETATM 2677 O HOH A 759 15.123 -10.151 20.116 1.00 39.53 O HETATM 2678 O HOH A 760 0.527 17.049 6.788 1.00 62.79 O HETATM 2679 O HOH A 761 14.965 0.607 -9.251 1.00 40.77 O HETATM 2680 O HOH A 762 23.999 8.094 -1.675 1.00 38.33 O HETATM 2681 O HOH A 763 13.205 21.186 38.141 1.00 27.19 O HETATM 2682 O HOH A 764 23.923 -0.761 11.669 1.00 37.76 O HETATM 2683 O HOH A 765 0.784 4.278 20.455 1.00 27.87 O HETATM 2684 O HOH A 766 3.392 20.627 -9.945 1.00 53.62 O HETATM 2685 O HOH A 767 27.278 23.232 21.619 1.00 38.23 O HETATM 2686 O HOH A 768 3.822 34.828 18.014 1.00 46.05 O HETATM 2687 O HOH A 769 19.433 19.187 35.716 1.00 25.76 O HETATM 2688 O HOH A 770 -10.266 22.748 33.546 1.00 43.86 O HETATM 2689 O HOH A 771 10.816 28.513 10.716 1.00 25.76 O HETATM 2690 O HOH A 772 3.214 9.215 13.499 1.00 49.18 O HETATM 2691 O HOH A 773 16.552 35.710 14.536 1.00 33.86 O HETATM 2692 O HOH A 774 -4.304 14.640 29.315 1.00 36.67 O HETATM 2693 O HOH A 775 1.282 19.241 -7.935 1.00 34.89 O HETATM 2694 O HOH A 776 14.307 12.150 40.090 1.00 41.35 O HETATM 2695 O HOH A 777 19.577 8.105 40.519 1.00 27.00 O HETATM 2696 O HOH A 778 28.522 13.972 21.092 1.00 38.83 O HETATM 2697 O HOH A 779 29.042 20.221 30.438 1.00 31.42 O HETATM 2698 O HOH A 780 -0.784 29.776 25.754 1.00 33.41 O HETATM 2699 O HOH A 781 6.984 -2.400 8.544 1.00 36.65 O HETATM 2700 O HOH A 782 1.693 30.481 36.849 1.00 35.34 O HETATM 2701 O HOH A 783 21.846 14.270 37.621 1.00 51.40 O HETATM 2702 O HOH A 784 -6.951 15.003 29.860 1.00 35.53 O HETATM 2703 O HOH A 785 9.255 20.551 39.846 1.00 32.25 O HETATM 2704 O HOH A 786 7.998 24.782 38.791 1.00 39.81 O HETATM 2705 O HOH A 787 -10.040 24.937 22.934 1.00 60.89 O HETATM 2706 O HOH A 788 -1.625 3.244 19.686 1.00 49.95 O HETATM 2707 O HOH A 789 3.343 14.435 33.284 1.00 39.77 O HETATM 2708 O HOH A 790 18.738 0.569 35.506 1.00 38.44 O HETATM 2709 O HOH A 791 -2.333 12.001 9.398 1.00 39.30 O HETATM 2710 O HOH A 792 11.698 12.912 39.822 1.00 47.43 O HETATM 2711 O HOH A 793 31.850 14.287 11.168 1.00 21.53 O HETATM 2712 O HOH A 794 1.776 31.099 31.913 1.00 35.92 O HETATM 2713 O HOH A 795 5.713 23.930 40.001 1.00 45.38 O HETATM 2714 O HOH A 796 8.510 -2.670 28.930 1.00 24.83 O HETATM 2715 O HOH A 797 10.889 27.436 37.243 1.00 29.10 O HETATM 2716 O HOH A 798 24.663 13.541 35.776 1.00 26.44 O HETATM 2717 O HOH A 799 7.052 30.606 31.033 1.00 38.13 O HETATM 2718 O HOH A 800 2.192 20.876 -1.511 1.00 64.10 O HETATM 2719 O HOH A 801 2.771 31.310 28.032 1.00 27.96 O HETATM 2720 O HOH A 802 29.324 11.577 22.149 1.00 36.99 O HETATM 2721 O HOH A 803 5.546 -4.229 28.573 1.00 49.70 O HETATM 2722 O HOH A 804 22.437 9.812 -5.492 1.00 33.87 O HETATM 2723 O HOH A 805 20.912 1.202 -0.661 1.00 51.05 O HETATM 2724 O HOH A 806 4.767 19.250 28.982 1.00 11.67 O HETATM 2725 O HOH A 807 31.954 18.308 14.070 1.00 87.70 O HETATM 2726 O HOH A 808 28.020 7.367 25.941 1.00 38.88 O HETATM 2727 O HOH A 809 17.960 9.390 42.293 1.00 36.15 O HETATM 2728 O HOH A 810 2.213 5.282 34.124 1.00 27.41 O HETATM 2729 O HOH A 811 6.547 12.168 -13.758 1.00 37.29 O HETATM 2730 O HOH A 812 -2.684 24.830 18.834 1.00 44.70 O HETATM 2731 O HOH A 813 25.801 22.831 23.833 1.00 29.57 O HETATM 2732 O HOH A 814 3.604 20.203 31.383 1.00 13.89 O HETATM 2733 O HOH A 815 8.014 1.532 3.508 1.00 48.71 O HETATM 2734 O HOH A 816 20.060 1.650 37.740 1.00 32.93 O HETATM 2735 O HOH A 817 19.821 1.243 30.059 1.00 28.89 O HETATM 2736 O HOH A 818 13.495 2.175 42.282 1.00 44.26 O HETATM 2737 O HOH A 819 9.440 28.781 34.573 1.00 39.99 O HETATM 2738 O HOH A 820 16.484 -1.478 32.494 1.00 33.43 O HETATM 2739 O HOH A 821 9.224 12.213 -15.385 1.00 43.45 O HETATM 2740 O HOH A 822 -5.285 25.211 18.116 1.00 37.89 O HETATM 2741 O HOH A 823 17.625 1.635 2.275 1.00 41.04 O HETATM 2742 O HOH A 824 6.170 19.550 -17.402 1.00 39.71 O HETATM 2743 O HOH A 825 33.193 26.771 24.705 1.00 34.84 O HETATM 2744 O HOH A 826 7.717 11.816 40.976 1.00 54.50 O HETATM 2745 O HOH A 827 1.633 3.371 3.763 1.00 41.51 O HETATM 2746 O HOH A 828 4.000 19.943 11.943 1.00 38.84 O HETATM 2747 O HOH A 829 0.638 6.892 17.307 1.00 29.02 O HETATM 2748 O HOH A 830 22.291 1.006 -3.260 1.00 49.26 O HETATM 2749 O HOH A 831 1.040 16.081 32.895 1.00 25.46 O HETATM 2750 O HOH A 832 8.394 28.274 9.492 1.00 44.92 O HETATM 2751 O HOH A 833 0.948 20.005 15.305 1.00 35.98 O HETATM 2752 O HOH A 834 8.988 25.597 3.613 1.00 49.20 O HETATM 2753 O HOH A 835 23.362 10.721 38.905 1.00 39.38 O HETATM 2754 O HOH A 836 29.712 15.292 24.901 1.00 41.72 O HETATM 2755 O HOH A 837 -1.742 22.510 17.089 1.00 34.49 O HETATM 2756 O HOH A 838 -0.785 19.780 17.869 1.00 28.34 O HETATM 2757 O HOH A 839 10.430 32.804 29.338 1.00 33.03 O HETATM 2758 O HOH A 840 1.596 11.450 18.325 1.00 31.69 O HETATM 2759 O HOH A 841 15.023 25.805 38.155 1.00 37.29 O HETATM 2760 O HOH A 842 25.920 24.899 30.412 1.00 35.79 O HETATM 2761 O HOH A 843 17.676 -12.152 16.888 1.00 46.40 O HETATM 2762 O HOH A 844 -0.934 -5.659 22.025 1.00 36.73 O HETATM 2763 O HOH A 845 7.224 21.500 3.163 1.00133.35 O HETATM 2764 O HOH A 846 16.799 23.901 38.872 1.00 40.10 O HETATM 2765 O HOH A 847 27.950 22.722 27.028 1.00 33.67 O HETATM 2766 O HOH A 848 28.675 -6.318 24.108 1.00 46.03 O HETATM 2767 O HOH A 849 0.610 16.600 17.998 1.00 35.55 O HETATM 2768 O HOH A 850 -0.012 13.871 19.395 1.00 38.97 O HETATM 2769 O HOH A 851 26.589 24.975 25.766 1.00 49.79 O CONECT 467 2396 CONECT 483 2396 CONECT 515 2396 CONECT 516 2396 CONECT 535 2396 CONECT 1290 1293 CONECT 1293 1290 1294 CONECT 1294 1293 1295 1302 CONECT 1295 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1295 1298 CONECT 1298 1297 1299 1300 1301 CONECT 1299 1298 CONECT 1300 1298 CONECT 1301 1298 CONECT 1302 1294 1303 1304 CONECT 1303 1302 CONECT 1304 1302 CONECT 1339 1345 CONECT 1345 1339 1346 CONECT 1346 1345 1347 1354 CONECT 1347 1346 1348 1349 CONECT 1348 1347 CONECT 1349 1347 1350 CONECT 1350 1349 1351 1352 1353 CONECT 1351 1350 CONECT 1352 1350 CONECT 1353 1350 CONECT 1354 1346 1355 1356 CONECT 1355 1354 CONECT 1356 1354 CONECT 2392 2393 2394 CONECT 2393 2392 CONECT 2394 2392 2395 CONECT 2395 2394 CONECT 2396 467 483 515 516 CONECT 2396 535 2423 CONECT 2397 2398 2399 2412 2413 CONECT 2398 2397 CONECT 2399 2397 2403 2418 CONECT 2400 2401 2404 2411 CONECT 2401 2400 2402 CONECT 2402 2401 2403 CONECT 2403 2399 2402 2414 CONECT 2404 2400 2405 2408 CONECT 2405 2404 2406 CONECT 2406 2405 2410 CONECT 2407 2408 2409 2410 CONECT 2408 2404 2407 CONECT 2409 2407 CONECT 2410 2406 2407 CONECT 2411 2400 2414 CONECT 2412 2397 CONECT 2413 2397 CONECT 2414 2403 2411 2415 CONECT 2415 2414 2416 2417 CONECT 2416 2415 CONECT 2417 2415 2418 CONECT 2418 2399 2417 CONECT 2423 2396 END