USER MOD reduce.3.24.130724 H: found=0, std=0, add=1738, rem=0, adj=86 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER HYDROLASE 08-JUL-16 5LH8 TITLE TRYPSIN INHIBITORS FOR THE TREATMENT OF PANCREATITIS - CPD 8 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CATIONIC TRYPSIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: BETA-TRYPSIN; COMPND 5 EC: 3.4.21.4 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; SOURCE 3 ORGANISM_COMMON: BOVINE; SOURCE 4 ORGANISM_TAXID: 9913 KEYWDS S1 PROTEASE, COMPLEX, INHIBITOR, PANCREATITIS, HYDROLASE EXPDTA X-RAY DIFFRACTION AUTHOR N.SCHIERING,A.D'ARCY,P.SKAANDERUP,O.SIMIC,T.BRANDL,J.WOELCKE REVDAT 3 24-AUG-16 5LH8 1 JRNL REVDAT 2 17-AUG-16 5LH8 1 REVDAT 1 10-AUG-16 5LH8 0 JRNL AUTH T.BRANDL,O.SIMIC,P.R.SKAANDERUP,K.NAMOTO,F.BERST,C.EHRHARDT, JRNL AUTH 2 N.SCHIERING,I.MUELLER,J.WOELCKE JRNL TITL TRYPSIN INHIBITORS FOR THE TREATMENT OF PANCREATITIS. JRNL REF BIOORG.MED.CHEM.LETT. V. 26 4340 2016 JRNL REFN ESSN 1464-3405 JRNL PMID 27476144 JRNL DOI 10.1016/J.BMCL.2016.07.029 REMARK 2 REMARK 2 RESOLUTION. 1.54 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : BUSTER 2.11.6 REMARK 3 AUTHORS : BRICOGNE,BLANC,BRANDL,FLENSBURG,KELLER, REMARK 3 : PACIOREK,ROVERSI,SHARFF,SMART,VONRHEIN, REMARK 3 : WOMACK,MATTHEWS,TEN EYCK,TRONRUD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.54 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 43.52 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 3 NUMBER OF REFLECTIONS : 30975 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.154 REMARK 3 R VALUE (WORKING SET) : 0.152 REMARK 3 FREE R VALUE : 0.182 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1549 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 : 16 REMARK 3 BIN RESOLUTION RANGE HIGH (ANGSTROMS) : 1.54 REMARK 3 BIN RESOLUTION RANGE LOW (ANGSTROMS) : 1.59 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 90.36 REMARK 3 REFLECTIONS IN BIN (WORKING + TEST SET) : 2568 REMARK 3 BIN R VALUE (WORKING + TEST SET) : 0.2680 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 2440 REMARK 3 BIN R VALUE (WORKING SET) : 0.2650 REMARK 3 BIN FREE R VALUE : 0.3200 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 4.98 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 128 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.000 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1629 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 49 REMARK 3 SOLVENT ATOMS : 306 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 10.45 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 11.36 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.52430 REMARK 3 B22 (A**2) : 0.22140 REMARK 3 B33 (A**2) : 0.30290 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.170 REMARK 3 DPI (BLOW EQ-10) BASED ON R VALUE (A) : 0.080 REMARK 3 DPI (BLOW EQ-9) BASED ON FREE R VALUE (A) : 0.079 REMARK 3 DPI (CRUICKSHANK) BASED ON R VALUE (A) : 0.071 REMARK 3 DPI (CRUICKSHANK) BASED ON FREE R VALUE (A) : 0.073 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 : 0.957 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.945 REMARK 3 REMARK 3 NUMBER OF GEOMETRIC FUNCTION TERMS DEFINED : 15 REMARK 3 TERM COUNT WEIGHT FUNCTION. REMARK 3 BOND LENGTHS : 1834 ; 2.000 ; HARMONIC REMARK 3 BOND ANGLES : 2520 ; 2.000 ; HARMONIC REMARK 3 TORSION ANGLES : 623 ; 2.000 ; SINUSOIDAL REMARK 3 TRIGONAL CARBON PLANES : 38 ; 2.000 ; HARMONIC REMARK 3 GENERAL PLANES : 284 ; 5.000 ; HARMONIC REMARK 3 ISOTROPIC THERMAL FACTORS : 1834 ; 20.000 ; HARMONIC REMARK 3 BAD NON-BONDED CONTACTS : 0 ; 5.000 ; SEMIHARMONIC REMARK 3 IMPROPER TORSIONS : NULL ; NULL ; NULL REMARK 3 PSEUDOROTATION ANGLES : NULL ; NULL ; NULL REMARK 3 CHIRAL IMPROPER TORSION : 244 ; 5.000 ; SEMIHARMONIC 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 : 2703 ; 4.000 ; SEMIHARMONIC REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.18 REMARK 3 PEPTIDE OMEGA TORSION ANGLES (DEGREES) : 4.27 REMARK 3 OTHER TORSION ANGLES (DEGREES) : 15.10 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 5LH8 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 11-JUL-16. REMARK 100 THE DEPOSITION ID IS D_1200000727. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 27-JUN-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : ENRAF-NONIUS FR591 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30977 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.540 REMARK 200 RESOLUTION RANGE LOW (A) : 65.810 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 REMARK 200 DATA REDUNDANCY : 7.510 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.09700 REMARK 200 FOR THE DATA SET : 15.6400 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL 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: NULL REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 44.30 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.21 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG3350, 0.2 M LISO4, 100 MM HEPES REMARK 280 PH 7.5 CRYSTALLIZATION PROTEIN SOLUTION = 100 MG/ML IN H2O. REMARK 280 COMPLEX FORMATION METHOD = SOAKING CRYSTALLIZATION PROTOCOL = REMARK 280 EQUAL VOLUMES (2UL+2UL) CRYSTALLIZATION METHOD = VAPOR DIFFUSION REMARK 280 - HANGING DROP CRYSTALLIZATION TEMPERATURE = 298.0 CRYO PROTOCOL REMARK 280 = THE CRYSTAL WAS FLASH FROZEN IN LIQUID NITROGEN PICTURES = REMARK 280 REMARKS = SAOKING WITH CPD 8 AT 10 MM FOR 4 HOURS., VAPOR REMARK 280 DIFFUSION, HANGING DROP REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 26.97550 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 32.90550 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.01200 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 32.90550 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 26.97550 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 29.01200 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: 450 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 9000 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -11.0 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 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 71 -82.93 -123.04 REMARK 500 GLN A 192 114.63 -30.39 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 705 DISTANCE = 6.67 ANGSTROMS REMARK 525 HOH A 706 DISTANCE = 6.73 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 CA A 303 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 GLU A 70 OE1 REMARK 620 2 ASN A 72 O 90.3 REMARK 620 3 VAL A 75 O 162.7 82.2 REMARK 620 4 GLU A 80 OE2 105.6 156.7 86.5 REMARK 620 5 HOH A 408 O 89.4 89.4 106.0 74.2 REMARK 620 6 HOH A 411 O 75.1 107.4 92.3 93.2 156.8 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 DMS A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue DMS A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue CA A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue 6WH A 304 DBREF 5LH8 A 16 245 UNP P00760 TRY1_BOVIN 24 246 SEQRES 1 A 223 ILE VAL GLY GLY TYR THR CYS GLY ALA ASN THR VAL PRO SEQRES 2 A 223 TYR GLN VAL SER LEU ASN SER GLY TYR HIS PHE CYS GLY SEQRES 3 A 223 GLY SER LEU ILE ASN SER GLN TRP VAL VAL SER ALA ALA SEQRES 4 A 223 HIS CYS TYR LYS SER GLY ILE GLN VAL ARG LEU GLY GLU SEQRES 5 A 223 ASP ASN ILE ASN VAL VAL GLU GLY ASN GLU GLN PHE ILE SEQRES 6 A 223 SER ALA SER LYS SER ILE VAL HIS PRO SER TYR ASN SER SEQRES 7 A 223 ASN THR LEU ASN ASN ASP ILE MET LEU ILE LYS LEU LYS SEQRES 8 A 223 SER ALA ALA SER LEU ASN SER ARG VAL ALA SER ILE SER SEQRES 9 A 223 LEU PRO THR SER CYS ALA SER ALA GLY THR GLN CYS LEU SEQRES 10 A 223 ILE SER GLY TRP GLY ASN THR LYS SER SER GLY THR SER SEQRES 11 A 223 TYR PRO ASP VAL LEU LYS CYS LEU LYS ALA PRO ILE LEU SEQRES 12 A 223 SER ASP SER SER CYS LYS SER ALA TYR PRO GLY GLN ILE SEQRES 13 A 223 THR SER ASN MET PHE CYS ALA GLY TYR LEU GLU GLY GLY SEQRES 14 A 223 LYS ASP SER CYS GLN GLY ASP SER GLY GLY PRO VAL VAL SEQRES 15 A 223 CYS SER GLY LYS LEU GLN GLY ILE VAL SER TRP GLY SER SEQRES 16 A 223 GLY CYS ALA GLN LYS ASN LYS PRO GLY VAL TYR THR LYS SEQRES 17 A 223 VAL CYS ASN TYR VAL SER TRP ILE LYS GLN THR ILE ALA SEQRES 18 A 223 SER ASN HET DMS A 301 4 HET DMS A 302 4 HET CA A 303 1 HET 6WH A 304 40 HETNAM DMS DIMETHYL SULFOXIDE HETNAM CA CALCIUM ION HETNAM 6WH (2~{S},4~{S})-1-[4-(AMINOMETHYL)-3-METHOXY- HETNAM 2 6WH PHENYL]CARBONYL-4-(4-CYCLOPROPYL-1,2,3-TRIAZOL-1-YL)- HETNAM 3 6WH ~{N}-[(1~{S},2~{R})-2-PHENYLCYCLOHEXYL]PYRROLIDINE-2- HETNAM 4 6WH CARBOXAMIDE FORMUL 2 DMS 2(C2 H6 O S) FORMUL 4 CA CA 2+ FORMUL 5 6WH C31 H38 N6 O3 FORMUL 6 HOH *306(H2 O) HELIX 1 AA1 ALA A 55 TYR A 59 5 5 HELIX 2 AA2 SER A 164 TYR A 172 1 9 HELIX 3 AA3 TYR A 234 ASN A 245 1 12 SHEET 1 AA1 7 TYR A 20 THR A 21 0 SHEET 2 AA1 7 LYS A 156 PRO A 161 -1 O CYS A 157 N TYR A 20 SHEET 3 AA1 7 GLN A 135 GLY A 140 -1 N ILE A 138 O LEU A 158 SHEET 4 AA1 7 PRO A 198 CYS A 201 -1 O VAL A 200 N LEU A 137 SHEET 5 AA1 7 LYS A 204 TRP A 215 -1 O LYS A 204 N CYS A 201 SHEET 6 AA1 7 GLY A 226 LYS A 230 -1 O VAL A 227 N TRP A 215 SHEET 7 AA1 7 MET A 180 ALA A 183 -1 N PHE A 181 O TYR A 228 SHEET 1 AA2 7 GLN A 30 ASN A 34 0 SHEET 2 AA2 7 HIS A 40 ASN A 48 -1 O CYS A 42 N LEU A 33 SHEET 3 AA2 7 TRP A 51 SER A 54 -1 O VAL A 53 N SER A 45 SHEET 4 AA2 7 MET A 104 LEU A 108 -1 O ILE A 106 N VAL A 52 SHEET 5 AA2 7 GLN A 81 VAL A 90 -1 N ILE A 89 O LEU A 105 SHEET 6 AA2 7 GLN A 64 LEU A 67 -1 N LEU A 67 O GLN A 81 SHEET 7 AA2 7 GLN A 30 ASN A 34 -1 N SER A 32 O ARG A 66 SSBOND *** CYS A 22 CYS A 157 1555 1555 2.03 SSBOND *** CYS A 42 CYS A 58 1555 1555 2.04 SSBOND *** CYS A 128 CYS A 232 1555 1555 2.04 SSBOND *** CYS A 136 CYS A 201 1555 1555 2.03 SSBOND *** CYS A 168 CYS A 182 1555 1555 2.03 SSBOND *** CYS A 191 CYS A 220 1555 1555 2.10 LINK OE1 GLU A 70 CA CA A 303 1555 1555 2.23 LINK O ASN A 72 CA CA A 303 1555 1555 2.24 LINK O VAL A 75 CA CA A 303 1555 1555 2.31 LINK OE2 GLU A 80 CA CA A 303 1555 1555 2.30 LINK CA CA A 303 O HOH A 408 1555 1555 2.38 LINK CA CA A 303 O HOH A 411 1555 1555 2.43 SITE *** AC1 5 VAL A 76 SER A 96 ASN A 97 HOH A 429 SITE *** AC1 5 HOH A 437 SITE *** AC2 8 ARG A 66 ILE A 73 ASN A 74 PHE A 82 SITE *** AC2 8 VAL A 90 HIS A 91 TYR A 94 HOH A 411 SITE *** AC3 6 GLU A 70 ASN A 72 VAL A 75 GLU A 80 SITE *** AC3 6 HOH A 408 HOH A 411 SITE *** AC4 24 PHE A 41 HIS A 57 LYS A 87 LEU A 99 SITE *** AC4 24 TYR A 151 ASP A 189 SER A 190 CYS A 191 SITE *** AC4 24 GLN A 192 GLY A 193 ASP A 194 SER A 195 SITE *** AC4 24 VAL A 213 TRP A 215 GLY A 216 GLY A 219 SITE *** AC4 24 GLY A 226 SER A 244 HOH A 431 HOH A 533 SITE *** AC4 24 HOH A 578 HOH A 596 HOH A 598 HOH A 600 CRYST1 53.951 58.024 65.811 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 0.018535 0.000000 0.000000 0.00000 SCALE2 0.000000 0.017234 0.000000 0.00000 SCALE3 0.000000 0.000000 0.015195 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 97 ASN : amide:sc= 3.04 K(o=3,f=-0.099) USER MOD Set 1.2: A 301 DMS C2 :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 122 SER OG B: rot 44:sc= 1.08 USER MOD Set 2.2: A 204 LYS NZ :NH3+ -121:sc= 0.194 (180deg=0) USER MOD Set 3.1: A 190 SER OG : rot -110:sc= 1.04 USER MOD Set 3.2: A 228 TYR OH : rot -172:sc= 1.88 USER MOD Set 4.1: A 164 SER OG : rot -170:sc= 1.73 USER MOD Set 4.2: A 166 SER OG A: rot -22:sc= 1.3 USER MOD Set 4.3: A 167 SER OG A: rot -81:sc= 0.757 USER MOD Set 4.4: A 167 SER OG B: rot 99:sc= 1.11 USER MOD Set 5.1: A 21 THR OG1 : rot 176:sc= 2.18 USER MOD Set 5.2: A 156 LYS NZ :NH3+ -171:sc= 1.51 (180deg=0.344) USER MOD Set 6.1: A 88 SER OG A: rot 131:sc= 1.1 USER MOD Set 6.2: A 104 MET CE A:methyl -158:sc= -0.553 (180deg=-1.06) USER MOD Set 7.1: A 101 ASN :FLIP amide:sc= 1.91 F(o=-1.3,f=1) USER MOD Set 7.2: A 234 TYR OH : rot 7:sc= -0.882 USER MOD Set 8.1: A 100 ASN : amide:sc= 2.2 K(o=8.3,f=-0.18) USER MOD Set 8.2: A 177 THR OG1 : rot -178:sc= 1.35 USER MOD Set 8.3: A 179 ASN : amide:sc= 2.03 K(o=8.3,f=4.2) USER MOD Set 8.4: A 180 MET CE :methyl -122:sc=-0.00454 (180deg=-0.0803) USER MOD Set 8.5: A 233 ASN : amide:sc= 2.74 K(o=8.3,f=5.2) USER MOD Set 9.1: A 96 SER OG : rot 99:sc= 2.23 USER MOD Set 9.2: A 301 DMS C1 :methyl -129:sc= 0 (180deg=-0.00423) USER MOD Set10.1: A 95 ASN : amide:sc= 0.591 K(o=1.6,f=-5.9!) USER MOD Set10.2: A 98 THR OG1 : rot -164:sc= 0.995 USER MOD Set11.1: A 87 LYS NZ :NH3+ -165:sc= 1.95 (180deg=0.712) USER MOD Set11.2: A 245 ASN : amide:sc= 1.67 K(o=3.6,f=-7.3!) USER MOD Set12.1: A 37 SER OG : rot -84:sc= 0.846 USER MOD Set12.2: A 39 TYR OH : rot 30:sc= 0.97 USER MOD Set12.3: A 60 LYS NZ :NH3+ -156:sc= 1.18 (180deg=1.03) USER MOD Set13.1: A 57 HIS : no HE2:sc= -0.146 K(o=2.2,f=-12!) USER MOD Set13.2: A 195 SER OG : rot 142:sc= 2.39 USER MOD Set14.1: A 32 SER OG : rot 64:sc= 2.46 USER MOD Set14.2: A 40 HIS : no HD1:sc= 1.65 K(o=4.1,f=-7.7!) USER MOD Set15.1: A 30 GLN :FLIP amide:sc= 0.844 F(o=-1.1,f=2.7) USER MOD Set15.2: A 139 SER OG : rot 84:sc= 1.87 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.0152 USER MOD Single : A 25 ASN : amide:sc= 3.1 K(o=3.1,f=2.4) USER MOD Single : A 26 THR OG1 : rot -83:sc= 0.763 USER MOD Single : A 29 TYR OH : rot -15:sc= 2.13 USER MOD Single : A 34 ASN : amide:sc= 2.27 K(o=2.3,f=-1.9!) USER MOD Single : A 45 SER OG : rot 88:sc= 0.181 USER MOD Single : A 48 ASN : amide:sc= 0.83 K(o=0.83,f=-7.2!) USER MOD Single : A 49 SER OG : rot 177:sc= 2.13 USER MOD Single : A 50 GLN A: amide:sc= 0.555 K(o=0.56,f=-2.1!) USER MOD Single : A 50 GLN B: amide:sc= 0.0835 X(o=0.083,f=0.56) USER MOD Single : A 54 SER OG : rot 93:sc= 0.986 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -98:sc= 0.0265 USER MOD Single : A 64 GLN : amide:sc= 1.39 K(o=1.4,f=-5.4!) USER MOD Single : A 72 ASN : amide:sc= 0.263 K(o=0.26,f=-8.3!) USER MOD Single : A 74 ASN : amide:sc= 1.17 K(o=1.2,f=-1.4!) USER MOD Single : A 79 ASN : amide:sc= 0.473 X(o=0.47,f=0.58) USER MOD Single : A 81 GLN : amide:sc= 3.49 K(o=3.5,f=-5!) USER MOD Single : A 84 SER OG : rot 63:sc= 1.08 USER MOD Single : A 86 SER OG : rot 176:sc= 1.04 USER MOD Single : A 88 SER OG B: rot 156:sc= 0.225 USER MOD Single : A 91 HIS : no HD1:sc= 1.88 K(o=1.9,f=-8.8!) USER MOD Single : A 93 SER OG : rot 111:sc= 0.816 USER MOD Single : A 94 TYR OH : rot 168:sc= 1.19 USER MOD Single : A 104 MET CE B:methyl 141:sc= -0.188 (180deg=-1.84) USER MOD Single : A 107 LYS NZ :NH3+ -163:sc= 1.08 (180deg=0.862) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -108:sc= 2.16 USER MOD Single : A 113 SER OG A: rot -113:sc= 1.12 USER MOD Single : A 113 SER OG B: rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 1.4 K(o=1.4,f=-6.1!) USER MOD Single : A 116 SER OG A: rot -177:sc= 2.05 USER MOD Single : A 116 SER OG B: rot -74:sc= 0.752 USER MOD Single : A 120 SER OG A: rot 93:sc= 2.01 USER MOD Single : A 120 SER OG B: rot 147:sc= 0.3 USER MOD Single : A 122 SER OG A: rot 2:sc= 0.395 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 84:sc= 0.92 USER MOD Single : A 135 GLN : amide:sc= 0.175 X(o=0.17,f=0.09) USER MOD Single : A 143 ASN : amide:sc= 0.88 K(o=0.88,f=-6.6!) USER MOD Single : A 144 THR OG1 : rot 110:sc= 2.08 USER MOD Single : A 145 LYS NZ :NH3+ -163:sc= -0.0138 (180deg=-0.0979) USER MOD Single : A 146 SER OG : rot -70:sc= 0.777 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 149 THR OG1 : rot 180:sc= -0.024 USER MOD Single : A 150 SER OG : rot -88:sc= 0.76 USER MOD Single : A 151 TYR OH : rot 150:sc=-0.00162 USER MOD Single : A 159 LYS NZ :NH3+ -143:sc= 0.927 (180deg=0.244) USER MOD Single : A 166 SER OG B: rot 180:sc= 0 USER MOD Single : A 169 LYS NZ :NH3+ 168:sc= 0.883 (180deg=0.78) USER MOD Single : A 170 SER OG A: rot 83:sc= 1.69 USER MOD Single : A 170 SER OG B: rot 180:sc= 0 USER MOD Single : A 172 TYR OH : rot -165:sc= 1.27 USER MOD Single : A 175 GLN : amide:sc= 2.82 X(o=2.8,f=2.9) USER MOD Single : A 178 SER OG : rot 106:sc= 1.12 USER MOD Single : A 184ATYR OH : rot -177:sc= 2.02 USER MOD Single : A 188ALYS NZ A:NH3+ -173:sc= 1.5 (180deg=1.46) USER MOD Single : A 188ALYS NZ B:NH3+ 136:sc= 1.71 (180deg=0.13) USER MOD Single : A 192 GLN : amide:sc= -0.122 X(o=-0.12,f=0.27) USER MOD Single : A 202 SER OG : rot 180:sc= 0 USER MOD Single : A 210 GLN : amide:sc= 1.75 K(o=1.8,f=0.088) USER MOD Single : A 214 SER OG : rot 59:sc= 2.01 USER MOD Single : A 217 SER OG A: rot 156:sc= 1.05 USER MOD Single : A 217 SER OG B: rot 170:sc= 3.3 USER MOD Single : A 221AGLN : amide:sc= 0.421 X(o=0.42,f=0.45) USER MOD Single : A 222 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 223 ASN : amide:sc= 0.518 X(o=0.52,f=0.55) USER MOD Single : A 224 LYS NZ :NH3+ 169:sc= 1.74 (180deg=1.59) USER MOD Single : A 229 THR OG1 : rot -171:sc= 0.985 USER MOD Single : A 230 LYS NZ :NH3+ 145:sc= 1.92 (180deg=0.683) USER MOD Single : A 236 SER OG A: rot 180:sc= 0 USER MOD Single : A 236 SER OG B: rot -10:sc= 0.787 USER MOD Single : A 239 LYS NZ :NH3+ -131:sc= 0.238 (180deg=0) USER MOD Single : A 240 GLN : amide:sc= 1.77 K(o=1.8,f=-0.47) USER MOD Single : A 241 THR OG1 : rot 82:sc= 0.931 USER MOD Single : A 244 SER OG : rot 114:sc= 0.836 USER MOD Single : A 302 DMS C1 :methyl -124:sc= 0 (180deg=-0.345) USER MOD Single : A 302 DMS C2 :methyl 173:sc= -0.0667 (180deg=-0.105) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 16 35.025 19.677 19.651 1.00 5.11 N ATOM 2 CA ILE A 16 35.018 20.575 18.495 1.00 5.46 C ATOM 3 C ILE A 16 36.294 20.333 17.698 1.00 8.87 C ATOM 4 O ILE A 16 37.405 20.482 18.222 1.00 7.68 O ATOM 5 CB ILE A 16 34.920 22.074 18.894 1.00 7.29 C ATOM 6 CG1 ILE A 16 33.674 22.394 19.740 1.00 7.99 C ATOM 7 CG2 ILE A 16 35.008 22.994 17.660 1.00 5.64 C ATOM 8 CD1 ILE A 16 32.332 22.417 18.934 1.00 7.28 C ATOM 0 HA ILE A 16 34.229 20.380 17.965 1.00 5.46 H new ATOM 0 HB ILE A 16 35.688 22.252 19.460 1.00 7.29 H new ATOM 0 HG12 ILE A 16 33.601 21.737 20.450 1.00 7.99 H new ATOM 0 HG13 ILE A 16 33.798 23.257 20.165 1.00 7.99 H new ATOM 0 HG21 ILE A 16 34.944 23.920 17.941 1.00 5.64 H new ATOM 0 HG22 ILE A 16 35.855 22.851 17.209 1.00 5.64 H new ATOM 0 HG23 ILE A 16 34.280 22.790 17.052 1.00 5.64 H new ATOM 0 HD11 ILE A 16 31.598 22.624 19.533 1.00 7.28 H new ATOM 0 HD12 ILE A 16 32.383 23.092 18.240 1.00 7.28 H new ATOM 0 HD13 ILE A 16 32.183 21.548 18.529 1.00 7.28 H new ATOM 9 N VAL A 17 36.120 20.008 16.417 1.00 5.77 N ATOM 10 CA VAL A 17 37.239 19.781 15.499 1.00 5.27 C ATOM 11 C VAL A 17 37.410 21.035 14.637 1.00 9.10 C ATOM 12 O VAL A 17 36.436 21.512 14.046 1.00 7.37 O ATOM 13 CB VAL A 17 37.010 18.513 14.616 1.00 9.13 C ATOM 14 CG1 VAL A 17 38.186 18.298 13.664 1.00 9.71 C ATOM 15 CG2 VAL A 17 36.777 17.259 15.474 1.00 9.09 C ATOM 0 H VAL A 17 35.346 19.912 16.054 1.00 5.77 H new ATOM 0 HA VAL A 17 38.049 19.617 16.007 1.00 5.27 H new ATOM 0 HB VAL A 17 36.208 18.665 14.091 1.00 9.13 H new ATOM 0 HG11 VAL A 17 38.026 17.508 13.125 1.00 9.71 H new ATOM 0 HG12 VAL A 17 38.279 19.070 13.085 1.00 9.71 H new ATOM 0 HG13 VAL A 17 39.001 18.179 14.177 1.00 9.71 H new ATOM 0 HG21 VAL A 17 36.639 16.492 14.896 1.00 9.09 H new ATOM 0 HG22 VAL A 17 37.551 17.103 16.037 1.00 9.09 H new ATOM 0 HG23 VAL A 17 35.994 17.389 16.031 1.00 9.09 H new ATOM 16 N GLY A 18 38.653 21.518 14.535 1.00 8.33 N ATOM 17 CA GLY A 18 38.981 22.659 13.688 1.00 8.85 C ATOM 18 C GLY A 18 38.410 23.989 14.147 1.00 12.28 C ATOM 19 O GLY A 18 38.215 24.898 13.330 1.00 12.31 O ATOM 0 H GLY A 18 39.327 21.190 14.957 1.00 8.33 H new ATOM 0 HA2 GLY A 18 39.946 22.738 13.636 1.00 8.85 H new ATOM 0 HA3 GLY A 18 38.662 22.479 12.790 1.00 8.85 H new ATOM 20 N GLY A 19 38.170 24.097 15.451 1.00 7.64 N ATOM 21 CA GLY A 19 37.658 25.303 16.080 1.00 6.80 C ATOM 22 C GLY A 19 38.766 26.097 16.722 1.00 10.86 C ATOM 23 O GLY A 19 39.929 26.006 16.329 1.00 11.66 O ATOM 0 H GLY A 19 38.305 23.453 16.005 1.00 7.64 H new ATOM 0 HA2 GLY A 19 37.207 25.850 15.418 1.00 6.80 H new ATOM 0 HA3 GLY A 19 36.997 25.066 16.749 1.00 6.80 H new ATOM 24 N TYR A 20 38.409 26.886 17.719 1.00 6.30 N ATOM 25 CA TYR A 20 39.373 27.721 18.391 1.00 5.27 C ATOM 26 C TYR A 20 39.076 27.752 19.854 1.00 8.16 C ATOM 27 O TYR A 20 37.964 27.469 20.268 1.00 7.09 O ATOM 28 CB TYR A 20 39.344 29.151 17.803 1.00 6.09 C ATOM 29 CG TYR A 20 37.996 29.828 17.919 1.00 6.51 C ATOM 30 CD1 TYR A 20 36.989 29.583 16.990 1.00 6.57 C ATOM 31 CD2 TYR A 20 37.737 30.744 18.939 1.00 6.17 C ATOM 32 CE1 TYR A 20 35.746 30.208 17.094 1.00 5.03 C ATOM 33 CE2 TYR A 20 36.511 31.405 19.029 1.00 4.87 C ATOM 34 CZ TYR A 20 35.522 31.138 18.093 1.00 5.51 C ATOM 35 OH TYR A 20 34.304 31.758 18.131 1.00 8.25 O ATOM 0 H TYR A 20 37.606 26.950 18.021 1.00 6.30 H new ATOM 0 HA TYR A 20 40.261 27.354 18.257 1.00 5.27 H new ATOM 0 HB2 TYR A 20 40.009 29.692 18.256 1.00 6.09 H new ATOM 0 HB3 TYR A 20 39.599 29.113 16.868 1.00 6.09 H new ATOM 0 HD1 TYR A 20 37.147 28.993 16.289 1.00 6.57 H new ATOM 0 HD2 TYR A 20 38.395 30.918 19.572 1.00 6.17 H new ATOM 0 HE1 TYR A 20 35.068 29.999 16.492 1.00 5.03 H new ATOM 0 HE2 TYR A 20 36.358 32.019 19.710 1.00 4.87 H new ATOM 0 HH TYR A 20 34.283 32.297 18.775 1.00 8.25 H new ATOM 36 N THR A 21 40.045 28.168 20.642 1.00 4.78 N ATOM 37 CA THR A 21 39.829 28.305 22.078 1.00 3.09 C ATOM 38 C THR A 21 38.891 29.512 22.303 1.00 6.78 C ATOM 39 O THR A 21 39.218 30.640 21.920 1.00 5.78 O ATOM 40 CB THR A 21 41.196 28.450 22.769 1.00 6.68 C ATOM 41 OG1 THR A 21 41.913 27.231 22.575 1.00 8.04 O ATOM 42 CG2 THR A 21 41.076 28.730 24.269 1.00 6.88 C ATOM 0 H THR A 21 40.835 28.377 20.373 1.00 4.78 H new ATOM 0 HA THR A 21 39.401 27.526 22.466 1.00 3.09 H new ATOM 0 HB THR A 21 41.657 29.209 22.377 1.00 6.68 H new ATOM 0 HG1 THR A 21 42.686 27.306 22.896 1.00 8.04 H new ATOM 0 HG21 THR A 21 41.962 28.812 24.655 1.00 6.88 H new ATOM 0 HG22 THR A 21 40.586 29.556 24.406 1.00 6.88 H new ATOM 0 HG23 THR A 21 40.604 27.999 24.698 1.00 6.88 H new ATOM 43 N CYS A 22 37.729 29.271 22.898 1.00 4.95 N ATOM 44 CA CYS A 22 36.750 30.340 23.131 1.00 5.47 C ATOM 45 C CYS A 22 37.318 31.496 23.900 1.00 8.20 C ATOM 46 O CYS A 22 37.101 32.639 23.526 1.00 6.94 O ATOM 47 CB CYS A 22 35.498 29.833 23.853 1.00 5.36 C ATOM 48 SG CYS A 22 34.674 28.441 23.068 1.00 6.97 S ATOM 0 H CYS A 22 37.483 28.496 23.177 1.00 4.95 H new ATOM 0 HA CYS A 22 36.505 30.650 22.245 1.00 5.47 H new ATOM 0 HB2 CYS A 22 35.744 29.578 24.756 1.00 5.36 H new ATOM 0 HB3 CYS A 22 34.866 30.565 23.927 1.00 5.36 H new ATOM 49 N GLY A 23 37.998 31.187 25.000 1.00 5.60 N ATOM 50 CA GLY A 23 38.409 32.180 25.978 1.00 5.25 C ATOM 51 C GLY A 23 37.522 31.951 27.183 1.00 8.18 C ATOM 52 O GLY A 23 36.327 31.650 27.044 1.00 7.33 O ATOM 0 H GLY A 23 38.235 30.385 25.199 1.00 5.60 H new ATOM 0 HA2 GLY A 23 39.345 32.076 26.209 1.00 5.25 H new ATOM 0 HA3 GLY A 23 38.300 33.079 25.630 1.00 5.25 H new ATOM 53 N ALA A 24 38.116 32.000 28.369 1.00 6.11 N ATOM 54 CA ALA A 24 37.389 31.702 29.585 1.00 5.65 C ATOM 55 C ALA A 24 36.120 32.507 29.760 1.00 6.93 C ATOM 56 O ALA A 24 36.134 33.738 29.662 1.00 6.19 O ATOM 57 CB ALA A 24 38.303 31.875 30.789 1.00 6.69 C ATOM 0 H ALA A 24 38.943 32.205 28.487 1.00 6.11 H new ATOM 0 HA ALA A 24 37.102 30.778 29.512 1.00 5.65 H new ATOM 0 HB1 ALA A 24 37.811 31.674 31.601 1.00 6.69 H new ATOM 0 HB2 ALA A 24 39.058 31.271 30.712 1.00 6.69 H new ATOM 0 HB3 ALA A 24 38.623 32.790 30.824 1.00 6.69 H new ATOM 58 N ASN A 25 35.007 31.786 29.976 1.00 5.90 N ATOM 59 CA ASN A 25 33.696 32.337 30.302 1.00 6.99 C ATOM 60 C ASN A 25 33.155 33.260 29.250 1.00 8.23 C ATOM 61 O ASN A 25 32.334 34.116 29.573 1.00 7.77 O ATOM 62 CB ASN A 25 33.730 33.027 31.665 1.00 10.83 C ATOM 63 CG ASN A 25 34.330 32.158 32.725 1.00 12.36 C ATOM 64 OD1 ASN A 25 35.423 32.414 33.220 1.00 12.13 O ATOM 65 ND2 ASN A 25 33.645 31.070 33.040 1.00 5.64 N ATOM 0 H ASN A 25 35.004 30.927 29.933 1.00 5.90 H new ATOM 0 HA ASN A 25 33.084 31.585 30.338 1.00 6.99 H new ATOM 0 HB2 ASN A 25 34.240 33.849 31.597 1.00 10.83 H new ATOM 0 HB3 ASN A 25 32.828 33.273 31.923 1.00 10.83 H new ATOM 0 HD21 ASN A 25 33.964 30.512 33.611 1.00 5.64 H new ATOM 0 HD22 ASN A 25 32.881 30.922 32.674 1.00 5.64 H new ATOM 66 N THR A 26 33.618 33.114 28.003 1.00 6.50 N ATOM 67 CA THR A 26 33.107 33.947 26.914 1.00 5.82 C ATOM 68 C THR A 26 31.795 33.391 26.349 1.00 9.24 C ATOM 69 O THR A 26 31.174 34.023 25.494 1.00 7.92 O ATOM 70 CB THR A 26 34.141 34.057 25.791 1.00 4.75 C ATOM 71 OG1 THR A 26 34.412 32.741 25.288 1.00 3.25 O ATOM 72 CG2 THR A 26 35.438 34.759 26.230 1.00 5.67 C ATOM 0 H THR A 26 34.220 32.545 27.771 1.00 6.50 H new ATOM 0 HA THR A 26 32.934 34.828 27.281 1.00 5.82 H new ATOM 0 HB THR A 26 33.768 34.615 25.091 1.00 4.75 H new ATOM 0 HG1 THR A 26 34.983 32.366 25.777 1.00 3.25 H new ATOM 0 HG21 THR A 26 36.053 34.800 25.481 1.00 5.67 H new ATOM 0 HG22 THR A 26 35.234 35.659 26.530 1.00 5.67 H new ATOM 0 HG23 THR A 26 35.846 34.262 26.956 1.00 5.67 H new ATOM 73 N VAL A 27 31.371 32.184 26.794 1.00 4.53 N ATOM 74 CA VAL A 27 30.148 31.525 26.298 1.00 4.61 C ATOM 75 C VAL A 27 29.422 31.219 27.617 1.00 5.31 C ATOM 76 O VAL A 27 29.483 30.105 28.147 1.00 6.06 O ATOM 77 CB VAL A 27 30.509 30.258 25.474 1.00 6.61 C ATOM 78 CG1 VAL A 27 29.268 29.658 24.880 1.00 5.23 C ATOM 79 CG2 VAL A 27 31.496 30.587 24.353 1.00 5.83 C ATOM 0 H VAL A 27 31.790 31.730 27.392 1.00 4.53 H new ATOM 0 HA VAL A 27 29.606 32.048 25.686 1.00 4.61 H new ATOM 0 HB VAL A 27 30.926 29.623 26.077 1.00 6.61 H new ATOM 0 HG11 VAL A 27 29.503 28.868 24.368 1.00 5.23 H new ATOM 0 HG12 VAL A 27 28.655 29.411 25.591 1.00 5.23 H new ATOM 0 HG13 VAL A 27 28.842 30.306 24.297 1.00 5.23 H new ATOM 0 HG21 VAL A 27 31.703 29.780 23.857 1.00 5.83 H new ATOM 0 HG22 VAL A 27 31.101 31.241 23.756 1.00 5.83 H new ATOM 0 HG23 VAL A 27 32.311 30.949 24.735 1.00 5.83 H new ATOM 80 N PRO A 28 28.832 32.266 28.219 1.00 4.00 N ATOM 81 CA PRO A 28 28.388 32.171 29.622 1.00 3.88 C ATOM 82 C PRO A 28 27.208 31.260 29.906 1.00 6.73 C ATOM 83 O PRO A 28 26.952 30.898 31.064 1.00 5.88 O ATOM 84 CB PRO A 28 28.088 33.620 29.988 1.00 7.31 C ATOM 85 CG PRO A 28 27.758 34.280 28.698 1.00 9.81 C ATOM 86 CD PRO A 28 28.719 33.650 27.713 1.00 5.51 C ATOM 0 HA PRO A 28 29.076 31.747 30.158 1.00 3.88 H new ATOM 0 HB2 PRO A 28 27.348 33.679 30.612 1.00 7.31 H new ATOM 0 HB3 PRO A 28 28.852 34.041 30.413 1.00 7.31 H new ATOM 0 HG2 PRO A 28 26.835 34.124 28.444 1.00 9.81 H new ATOM 0 HG3 PRO A 28 27.879 35.241 28.749 1.00 9.81 H new ATOM 0 HD2 PRO A 28 28.376 33.676 26.806 1.00 5.51 H new ATOM 0 HD3 PRO A 28 29.577 34.103 27.705 1.00 5.51 H new ATOM 87 N TYR A 29 26.545 30.842 28.847 1.00 4.00 N ATOM 88 CA TYR A 29 25.394 29.947 28.945 1.00 3.78 C ATOM 89 C TYR A 29 25.830 28.491 28.765 1.00 4.61 C ATOM 90 O TYR A 29 24.985 27.588 28.881 1.00 5.44 O ATOM 91 CB TYR A 29 24.335 30.310 27.881 1.00 5.35 C ATOM 92 CG TYR A 29 24.943 30.456 26.500 1.00 4.89 C ATOM 93 CD1 TYR A 29 25.161 29.342 25.695 1.00 6.35 C ATOM 94 CD2 TYR A 29 25.375 31.699 26.032 1.00 4.71 C ATOM 95 CE1 TYR A 29 25.785 29.453 24.462 1.00 5.76 C ATOM 96 CE2 TYR A 29 26.018 31.820 24.803 1.00 4.56 C ATOM 97 CZ TYR A 29 26.206 30.700 24.011 1.00 7.00 C ATOM 98 OH TYR A 29 26.801 30.833 22.778 1.00 5.23 O ATOM 0 H TYR A 29 26.746 31.067 28.042 1.00 4.00 H new ATOM 0 HA TYR A 29 25.004 30.052 29.827 1.00 3.78 H new ATOM 0 HB2 TYR A 29 23.650 29.624 27.861 1.00 5.35 H new ATOM 0 HB3 TYR A 29 23.898 31.139 28.130 1.00 5.35 H new ATOM 0 HD1 TYR A 29 24.882 28.505 25.990 1.00 6.35 H new ATOM 0 HD2 TYR A 29 25.231 32.458 26.550 1.00 4.71 H new ATOM 0 HE1 TYR A 29 25.922 28.697 23.938 1.00 5.76 H new ATOM 0 HE2 TYR A 29 26.320 32.651 24.515 1.00 4.56 H new ATOM 0 HH TYR A 29 27.033 30.077 22.496 1.00 5.23 H new ATOM 99 N GLN A 30 27.110 28.266 28.368 1.00 3.00 N ATOM 100 CA GLN A 30 27.573 26.893 28.117 1.00 3.00 C ATOM 101 C GLN A 30 27.768 26.181 29.454 1.00 5.19 C ATOM 102 O GLN A 30 28.437 26.710 30.360 1.00 4.99 O ATOM 103 CB GLN A 30 28.908 26.904 27.377 1.00 3.48 C ATOM 104 CG GLN A 30 29.606 25.536 27.381 1.00 4.40 C ATOM 105 CD GLN A 30 29.105 24.622 26.290 1.00 7.05 C ATOM 106 OE1 GLN A 30 29.150 25.086 25.079 1.00 8.94 O flip ATOM 107 NE2 GLN A 30 28.705 23.465 26.532 1.00 5.48 N flip ATOM 0 H GLN A 30 27.700 28.879 28.245 1.00 3.00 H new ATOM 0 HA GLN A 30 26.910 26.436 27.576 1.00 3.00 H new ATOM 0 HB2 GLN A 30 28.762 27.184 26.460 1.00 3.48 H new ATOM 0 HB3 GLN A 30 29.493 27.561 27.785 1.00 3.48 H new ATOM 0 HG2 GLN A 30 30.562 25.665 27.276 1.00 4.40 H new ATOM 0 HG3 GLN A 30 29.470 25.110 28.242 1.00 4.40 H new ATOM 0 HE21 GLN A 30 28.684 23.178 27.342 1.00 5.48 H new ATOM 0 HE22 GLN A 30 28.451 22.954 25.888 1.00 5.48 H new ATOM 108 N AVAL A 31 27.157 25.015 29.607 0.50 3.00 N ATOM 109 N BVAL A 31 27.168 24.998 29.556 0.50 3.00 N ATOM 110 CA AVAL A 31 27.372 24.259 30.832 0.50 3.00 C ATOM 111 CA BVAL A 31 27.138 24.131 30.726 0.50 3.07 C ATOM 112 C AVAL A 31 27.979 22.926 30.458 0.50 6.23 C ATOM 113 C BVAL A 31 27.926 22.865 30.420 0.50 6.25 C ATOM 114 O AVAL A 31 27.915 22.505 29.293 0.50 4.34 O ATOM 115 O BVAL A 31 27.922 22.416 29.266 0.50 4.58 O ATOM 116 CB AVAL A 31 26.113 24.105 31.725 0.50 5.87 C ATOM 117 CB BVAL A 31 25.632 23.773 30.918 0.50 6.45 C ATOM 118 CG1AVAL A 31 25.473 25.448 32.039 0.50 5.24 C ATOM 119 CG1BVAL A 31 25.401 22.692 31.955 0.50 5.78 C ATOM 120 CG2AVAL A 31 25.100 23.148 31.115 0.50 5.53 C ATOM 121 CG2BVAL A 31 24.792 25.006 31.208 0.50 6.72 C ATOM 0 H AVAL A 31 26.629 24.652 29.033 0.50 3.00 H new ATOM 0 H BVAL A 31 26.737 24.658 28.894 0.50 3.00 H new ATOM 0 HA AVAL A 31 27.982 24.764 31.393 0.50 3.07 H new ATOM 0 HA BVAL A 31 27.520 24.548 31.514 0.50 3.07 H new ATOM 0 HB AVAL A 31 26.413 23.720 32.563 0.50 6.45 H new ATOM 0 HB BVAL A 31 25.338 23.404 30.070 0.50 6.45 H new ATOM 0 HG11AVAL A 31 24.692 25.312 32.597 0.50 5.78 H new ATOM 0 HG11BVAL A 31 24.451 22.513 32.030 0.50 5.78 H new ATOM 0 HG12AVAL A 31 26.111 26.009 32.508 0.50 5.78 H new ATOM 0 HG12BVAL A 31 25.862 21.882 31.686 0.50 5.78 H new ATOM 0 HG13AVAL A 31 25.208 25.881 31.213 0.50 5.78 H new ATOM 0 HG13BVAL A 31 25.742 22.988 32.813 0.50 5.78 H new ATOM 0 HG21AVAL A 31 24.329 23.077 31.699 0.50 6.72 H new ATOM 0 HG21BVAL A 31 23.864 24.746 31.321 0.50 6.72 H new ATOM 0 HG22AVAL A 31 24.819 23.483 30.249 0.50 6.72 H new ATOM 0 HG22BVAL A 31 25.110 25.431 32.020 0.50 6.72 H new ATOM 0 HG23AVAL A 31 25.505 22.273 31.007 0.50 6.72 H new ATOM 0 HG23BVAL A 31 24.865 25.629 30.468 0.50 6.72 H new ATOM 122 N SER A 32 28.602 22.293 31.446 1.00 3.51 N ATOM 123 CA SER A 32 29.179 20.958 31.334 1.00 3.00 C ATOM 124 C SER A 32 28.289 20.083 32.237 1.00 7.14 C ATOM 125 O SER A 32 27.971 20.455 33.378 1.00 7.62 O ATOM 126 CB SER A 32 30.620 20.899 31.836 1.00 5.22 C ATOM 127 OG SER A 32 30.991 19.547 32.067 1.00 7.80 O ATOM 0 H ASER A 32 28.704 22.640 32.226 0.50 3.51 H new ATOM 0 H BSER A 32 28.729 22.672 32.207 0.50 3.51 H new ATOM 0 HA SER A 32 29.207 20.670 30.408 1.00 3.00 H new ATOM 0 HB2 SER A 32 31.216 21.300 31.184 1.00 5.22 H new ATOM 0 HB3 SER A 32 30.708 21.412 32.654 1.00 5.22 H new ATOM 0 HG SER A 32 30.976 19.124 31.341 1.00 7.80 H new ATOM 128 N LEU A 33 27.855 18.935 31.723 1.00 4.36 N ATOM 129 CA LEU A 33 27.089 17.981 32.519 1.00 3.00 C ATOM 130 C LEU A 33 28.115 16.962 32.987 1.00 6.26 C ATOM 131 O LEU A 33 28.838 16.381 32.178 1.00 6.79 O ATOM 132 CB LEU A 33 25.960 17.315 31.712 1.00 3.52 C ATOM 133 CG LEU A 33 24.918 18.234 31.075 1.00 6.68 C ATOM 134 CD1 LEU A 33 23.864 17.393 30.379 1.00 5.82 C ATOM 135 CD2 LEU A 33 24.271 19.190 32.078 1.00 8.27 C ATOM 0 H LEU A 33 27.995 18.689 30.911 1.00 4.36 H new ATOM 0 HA LEU A 33 26.637 18.417 33.258 1.00 3.00 H new ATOM 0 HB2 LEU A 33 26.366 16.787 31.007 1.00 3.52 H new ATOM 0 HB3 LEU A 33 25.497 16.696 32.298 1.00 3.52 H new ATOM 0 HG LEU A 33 25.377 18.793 30.428 1.00 6.68 H new ATOM 0 HD11 LEU A 33 23.201 17.974 29.974 1.00 5.82 H new ATOM 0 HD12 LEU A 33 24.283 16.853 29.691 1.00 5.82 H new ATOM 0 HD13 LEU A 33 23.433 16.814 31.026 1.00 5.82 H new ATOM 0 HD21 LEU A 33 23.621 19.747 31.622 1.00 8.27 H new ATOM 0 HD22 LEU A 33 23.827 18.679 32.773 1.00 8.27 H new ATOM 0 HD23 LEU A 33 24.954 19.752 32.477 1.00 8.27 H new ATOM 136 N ASN A 34 28.174 16.769 34.297 1.00 4.35 N ATOM 137 CA ASN A 34 29.189 15.930 34.901 1.00 3.84 C ATOM 138 C ASN A 34 28.574 14.856 35.750 1.00 6.96 C ATOM 139 O ASN A 34 27.759 15.151 36.629 1.00 5.98 O ATOM 140 CB ASN A 34 30.097 16.836 35.757 1.00 3.34 C ATOM 141 CG ASN A 34 31.266 16.124 36.391 1.00 8.52 C ATOM 142 OD1 ASN A 34 31.108 15.336 37.346 1.00 4.34 O ATOM 143 ND2 ASN A 34 32.481 16.388 35.866 1.00 4.97 N ATOM 0 H ASN A 34 27.626 17.122 34.858 1.00 4.35 H new ATOM 0 HA ASN A 34 29.702 15.486 34.208 1.00 3.84 H new ATOM 0 HB2 ASN A 34 30.434 17.556 35.201 1.00 3.34 H new ATOM 0 HB3 ASN A 34 29.562 17.243 36.456 1.00 3.34 H new ATOM 0 HD21 ASN A 34 33.181 16.008 36.190 1.00 4.97 H new ATOM 0 HD22 ASN A 34 32.555 16.936 35.208 1.00 4.97 H new ATOM 144 N SER A 37 28.964 13.600 35.493 1.00 4.79 N ATOM 145 CA SER A 37 28.485 12.459 36.277 1.00 4.20 C ATOM 146 C SER A 37 29.747 11.723 36.794 1.00 9.53 C ATOM 147 O SER A 37 29.861 10.503 36.677 1.00 9.46 O ATOM 148 CB SER A 37 27.632 11.553 35.391 1.00 7.08 C ATOM 149 OG SER A 37 28.398 11.041 34.309 1.00 10.87 O ATOM 0 H SER A 37 29.510 13.390 34.863 1.00 4.79 H new ATOM 0 HA SER A 37 27.929 12.735 37.022 1.00 4.20 H new ATOM 0 HB2 SER A 37 27.277 10.820 35.917 1.00 7.08 H new ATOM 0 HB3 SER A 37 26.873 12.050 35.049 1.00 7.08 H new ATOM 0 HG SER A 37 28.406 11.600 33.682 1.00 10.87 H new ATOM 150 N GLY A 38 30.698 12.503 37.322 1.00 6.33 N ATOM 151 CA GLY A 38 32.013 12.026 37.741 1.00 5.98 C ATOM 152 C GLY A 38 33.053 12.414 36.705 1.00 8.91 C ATOM 153 O GLY A 38 34.251 12.293 36.935 1.00 6.66 O ATOM 0 H GLY A 38 30.588 13.347 37.448 1.00 6.33 H new ATOM 0 HA2 GLY A 38 32.245 12.406 38.603 1.00 5.98 H new ATOM 0 HA3 GLY A 38 31.997 11.062 37.851 1.00 5.98 H new ATOM 154 N TYR A 39 32.595 12.939 35.556 1.00 5.82 N ATOM 155 CA TYR A 39 33.420 13.317 34.426 1.00 5.82 C ATOM 156 C TYR A 39 32.483 14.080 33.500 1.00 7.28 C ATOM 157 O TYR A 39 31.260 13.875 33.549 1.00 5.61 O ATOM 158 CB TYR A 39 33.957 12.045 33.696 1.00 7.80 C ATOM 159 CG TYR A 39 32.875 11.015 33.437 1.00 7.53 C ATOM 160 CD1 TYR A 39 32.093 11.072 32.284 1.00 8.97 C ATOM 161 CD2 TYR A 39 32.597 10.016 34.365 1.00 8.54 C ATOM 162 CE1 TYR A 39 31.072 10.160 32.061 1.00 6.75 C ATOM 163 CE2 TYR A 39 31.525 9.143 34.185 1.00 8.24 C ATOM 164 CZ TYR A 39 30.770 9.216 33.028 1.00 12.63 C ATOM 165 OH TYR A 39 29.738 8.327 32.835 1.00 18.10 O ATOM 0 H TYR A 39 31.758 13.086 35.421 1.00 5.82 H new ATOM 0 HA TYR A 39 34.189 13.842 34.697 1.00 5.82 H new ATOM 0 HB2 TYR A 39 34.357 12.306 32.852 1.00 7.80 H new ATOM 0 HB3 TYR A 39 34.659 11.643 34.231 1.00 7.80 H new ATOM 0 HD1 TYR A 39 32.259 11.734 31.652 1.00 8.97 H new ATOM 0 HD2 TYR A 39 33.136 9.929 35.118 1.00 8.54 H new ATOM 0 HE1 TYR A 39 30.592 10.182 31.265 1.00 6.75 H new ATOM 0 HE2 TYR A 39 31.319 8.515 34.839 1.00 8.24 H new ATOM 0 HH TYR A 39 29.650 8.174 32.014 1.00 18.10 H new ATOM 166 N HIS A 40 33.038 14.939 32.673 1.00 5.83 N ATOM 167 CA HIS A 40 32.235 15.667 31.684 1.00 3.71 C ATOM 168 C HIS A 40 31.728 14.650 30.641 1.00 5.34 C ATOM 169 O HIS A 40 32.536 13.905 30.083 1.00 5.57 O ATOM 170 CB HIS A 40 33.081 16.718 30.969 1.00 4.43 C ATOM 171 CG HIS A 40 32.455 17.227 29.701 1.00 5.74 C ATOM 172 ND1 HIS A 40 31.522 18.261 29.723 1.00 6.38 N ATOM 173 CD2 HIS A 40 32.562 16.762 28.426 1.00 6.82 C ATOM 174 CE1 HIS A 40 31.119 18.409 28.470 1.00 6.05 C ATOM 175 NE2 HIS A 40 31.722 17.548 27.648 1.00 6.39 N ATOM 0 H HIS A 40 33.878 15.123 32.659 1.00 5.83 H new ATOM 0 HA HIS A 40 31.499 16.112 32.132 1.00 3.71 H new ATOM 0 HB2 HIS A 40 33.232 17.465 31.569 1.00 4.43 H new ATOM 0 HB3 HIS A 40 33.950 16.339 30.763 1.00 4.43 H new ATOM 0 HD2 HIS A 40 33.093 16.057 28.134 1.00 6.82 H new ATOM 0 HE1 HIS A 40 30.491 19.038 28.196 1.00 6.05 H new ATOM 0 HE2 HIS A 40 31.611 17.491 26.797 1.00 6.39 H new ATOM 176 N PHE A 41 30.414 14.631 30.343 1.00 3.35 N ATOM 177 CA PHE A 41 29.957 13.716 29.301 1.00 3.97 C ATOM 178 C PHE A 41 29.076 14.414 28.246 1.00 6.60 C ATOM 179 O PHE A 41 28.801 13.827 27.210 1.00 6.56 O ATOM 180 CB PHE A 41 29.223 12.518 29.909 1.00 4.24 C ATOM 181 CG PHE A 41 27.926 12.923 30.550 1.00 4.87 C ATOM 182 CD1 PHE A 41 27.886 13.321 31.882 1.00 4.77 C ATOM 183 CD2 PHE A 41 26.727 12.846 29.847 1.00 6.60 C ATOM 184 CE1 PHE A 41 26.682 13.718 32.478 1.00 4.76 C ATOM 185 CE2 PHE A 41 25.520 13.224 30.452 1.00 7.18 C ATOM 186 CZ PHE A 41 25.509 13.676 31.755 1.00 5.68 C ATOM 0 H PHE A 41 29.807 15.115 30.714 1.00 3.35 H new ATOM 0 HA PHE A 41 30.750 13.397 28.843 1.00 3.97 H new ATOM 0 HB2 PHE A 41 29.050 11.860 29.218 1.00 4.24 H new ATOM 0 HB3 PHE A 41 29.791 12.092 30.570 1.00 4.24 H new ATOM 0 HD1 PHE A 41 28.669 13.324 32.384 1.00 4.77 H new ATOM 0 HD2 PHE A 41 26.727 12.541 28.968 1.00 6.60 H new ATOM 0 HE1 PHE A 41 26.674 14.010 33.361 1.00 4.76 H new ATOM 0 HE2 PHE A 41 24.725 13.170 29.973 1.00 7.18 H new ATOM 0 HZ PHE A 41 24.711 13.952 32.145 1.00 5.68 H new ATOM 187 N CYS A 42 28.606 15.639 28.529 1.00 4.88 N ATOM 188 CA CYS A 42 27.715 16.336 27.616 1.00 3.52 C ATOM 189 C CYS A 42 27.774 17.813 27.899 1.00 5.34 C ATOM 190 O CYS A 42 27.977 18.233 29.033 1.00 4.41 O ATOM 191 CB CYS A 42 26.271 15.845 27.750 1.00 3.65 C ATOM 192 SG CYS A 42 25.849 14.444 26.694 1.00 6.00 S ATOM 0 H CYS A 42 28.796 16.075 29.245 1.00 4.88 H new ATOM 0 HA CYS A 42 28.007 16.154 26.709 1.00 3.52 H new ATOM 0 HB2 CYS A 42 26.111 15.597 28.674 1.00 3.65 H new ATOM 0 HB3 CYS A 42 25.672 16.580 27.546 1.00 3.65 H new ATOM 193 N GLY A 43 27.402 18.575 26.907 1.00 3.00 N ATOM 194 CA GLY A 43 27.213 19.997 27.072 1.00 3.42 C ATOM 195 C GLY A 43 25.758 20.251 27.407 1.00 6.64 C ATOM 196 O GLY A 43 24.910 19.330 27.417 1.00 5.55 O ATOM 0 H GLY A 43 27.249 18.287 26.111 1.00 3.00 H new ATOM 0 HA2 GLY A 43 27.786 20.334 27.779 1.00 3.42 H new ATOM 0 HA3 GLY A 43 27.459 20.467 26.260 1.00 3.42 H new ATOM 197 N GLY A 44 25.459 21.517 27.644 1.00 4.60 N ATOM 198 CA GLY A 44 24.106 21.965 27.919 1.00 3.87 C ATOM 199 C GLY A 44 24.088 23.471 27.769 1.00 6.51 C ATOM 200 O GLY A 44 25.152 24.087 27.642 1.00 5.44 O ATOM 0 H GLY A 44 26.043 22.148 27.650 1.00 4.60 H new ATOM 0 HA2 GLY A 44 23.478 21.553 27.305 1.00 3.87 H new ATOM 0 HA3 GLY A 44 23.837 21.708 28.815 1.00 3.87 H new ATOM 201 N SER A 45 22.904 24.055 27.792 1.00 4.67 N ATOM 202 CA SER A 45 22.751 25.505 27.701 1.00 5.53 C ATOM 203 C SER A 45 21.852 25.994 28.822 1.00 8.46 C ATOM 204 O SER A 45 20.742 25.460 29.003 1.00 7.72 O ATOM 205 CB SER A 45 22.178 25.920 26.342 1.00 5.42 C ATOM 206 OG SER A 45 22.942 25.459 25.239 1.00 6.71 O ATOM 0 H SER A 45 22.162 23.626 27.861 1.00 4.67 H new ATOM 0 HA SER A 45 23.627 25.911 27.789 1.00 5.53 H new ATOM 0 HB2 SER A 45 21.273 25.580 26.264 1.00 5.42 H new ATOM 0 HB3 SER A 45 22.122 26.888 26.305 1.00 5.42 H new ATOM 0 HG SER A 45 22.677 24.694 25.015 1.00 6.71 H new ATOM 207 N LEU A 46 22.315 27.011 29.579 1.00 5.74 N ATOM 208 CA LEU A 46 21.479 27.563 30.640 1.00 4.95 C ATOM 209 C LEU A 46 20.440 28.470 29.996 1.00 8.05 C ATOM 210 O LEU A 46 20.793 29.411 29.299 1.00 6.94 O ATOM 211 CB LEU A 46 22.368 28.377 31.597 1.00 4.82 C ATOM 212 CG LEU A 46 21.712 28.864 32.879 1.00 9.09 C ATOM 213 CD1 LEU A 46 21.441 27.706 33.832 1.00 8.78 C ATOM 214 CD2 LEU A 46 22.639 29.819 33.585 1.00 9.03 C ATOM 0 H LEU A 46 23.087 27.379 29.491 1.00 5.74 H new ATOM 0 HA LEU A 46 21.037 26.858 31.139 1.00 4.95 H new ATOM 0 HB2 LEU A 46 23.135 27.834 31.836 1.00 4.82 H new ATOM 0 HB3 LEU A 46 22.706 29.149 31.116 1.00 4.82 H new ATOM 0 HG LEU A 46 20.876 29.293 32.638 1.00 9.09 H new ATOM 0 HD11 LEU A 46 21.023 28.043 34.640 1.00 8.78 H new ATOM 0 HD12 LEU A 46 20.849 27.067 33.405 1.00 8.78 H new ATOM 0 HD13 LEU A 46 22.278 27.270 34.058 1.00 8.78 H new ATOM 0 HD21 LEU A 46 22.221 30.130 34.403 1.00 9.03 H new ATOM 0 HD22 LEU A 46 23.470 29.366 33.799 1.00 9.03 H new ATOM 0 HD23 LEU A 46 22.824 30.577 33.008 1.00 9.03 H new ATOM 215 N ILE A 47 19.155 28.233 30.284 1.00 6.95 N ATOM 216 CA ILE A 47 18.084 29.026 29.685 1.00 7.59 C ATOM 217 C ILE A 47 17.372 29.915 30.718 1.00 9.78 C ATOM 218 O ILE A 47 16.686 30.856 30.360 1.00 8.58 O ATOM 219 CB ILE A 47 17.127 28.164 28.866 1.00 10.88 C ATOM 220 CG1 ILE A 47 16.500 27.064 29.734 1.00 10.61 C ATOM 221 CG2 ILE A 47 17.844 27.616 27.589 1.00 10.00 C ATOM 222 CD1 ILE A 47 15.324 26.409 29.133 1.00 18.47 C ATOM 0 H ILE A 47 18.887 27.619 30.823 1.00 6.95 H new ATOM 0 HA ILE A 47 18.496 29.638 29.055 1.00 7.59 H new ATOM 0 HB ILE A 47 16.389 28.711 28.555 1.00 10.88 H new ATOM 0 HG12 ILE A 47 17.173 26.390 29.918 1.00 10.61 H new ATOM 0 HG13 ILE A 47 16.242 27.448 30.587 1.00 10.61 H new ATOM 0 HG21 ILE A 47 17.225 27.071 27.079 1.00 10.00 H new ATOM 0 HG22 ILE A 47 18.146 28.359 27.043 1.00 10.00 H new ATOM 0 HG23 ILE A 47 18.607 27.078 27.852 1.00 10.00 H new ATOM 0 HD11 ILE A 47 14.987 25.730 29.738 1.00 18.47 H new ATOM 0 HD12 ILE A 47 14.632 27.070 28.972 1.00 18.47 H new ATOM 0 HD13 ILE A 47 15.578 25.996 28.293 1.00 18.47 H new ATOM 223 N ASN A 48 17.587 29.645 31.984 1.00 8.63 N ATOM 224 CA ASN A 48 17.168 30.522 33.081 1.00 8.27 C ATOM 225 C ASN A 48 17.924 30.090 34.297 1.00 10.38 C ATOM 226 O ASN A 48 18.657 29.091 34.230 1.00 9.47 O ATOM 227 CB ASN A 48 15.653 30.648 33.277 1.00 10.75 C ATOM 228 CG ASN A 48 14.969 29.470 33.900 1.00 13.98 C ATOM 229 OD1 ASN A 48 15.556 28.646 34.608 1.00 10.39 O ATOM 230 ND2 ASN A 48 13.665 29.445 33.730 1.00 15.34 N ATOM 0 H ASN A 48 17.989 28.933 32.249 1.00 8.63 H new ATOM 0 HA ASN A 48 17.393 31.440 32.862 1.00 8.27 H new ATOM 0 HB2 ASN A 48 15.480 31.428 33.828 1.00 10.75 H new ATOM 0 HB3 ASN A 48 15.246 30.815 32.412 1.00 10.75 H new ATOM 0 HD21 ASN A 48 13.192 28.841 34.118 1.00 15.34 H new ATOM 0 HD22 ASN A 48 13.285 30.033 33.230 1.00 15.34 H new ATOM 231 N SER A 49 17.771 30.788 35.419 1.00 8.38 N ATOM 232 CA SER A 49 18.592 30.427 36.575 1.00 7.37 C ATOM 233 C SER A 49 18.413 29.002 37.128 1.00 10.40 C ATOM 234 O SER A 49 19.265 28.556 37.881 1.00 10.68 O ATOM 235 CB SER A 49 18.366 31.433 37.699 1.00 8.74 C ATOM 236 OG SER A 49 17.033 31.318 38.175 1.00 8.65 O ATOM 0 H SER A 49 17.226 31.443 35.533 1.00 8.38 H new ATOM 0 HA SER A 49 19.501 30.449 36.238 1.00 7.37 H new ATOM 0 HB2 SER A 49 18.993 31.272 38.421 1.00 8.74 H new ATOM 0 HB3 SER A 49 18.529 32.334 37.378 1.00 8.74 H new ATOM 0 HG SER A 49 16.922 31.838 38.826 1.00 8.65 H new ATOM 237 N AGLN A 50 17.341 28.291 36.761 0.50 7.66 N ATOM 238 N BGLN A 50 17.307 28.315 36.778 0.50 7.91 N ATOM 239 CA AGLN A 50 17.146 26.959 37.319 0.50 7.60 C ATOM 240 CA BGLN A 50 17.002 26.984 37.305 0.50 7.96 C ATOM 241 C AGLN A 50 17.008 25.868 36.248 0.50 8.77 C ATOM 242 C BGLN A 50 17.005 25.881 36.252 0.50 8.94 C ATOM 243 O AGLN A 50 16.774 24.712 36.590 0.50 7.62 O ATOM 244 O BGLN A 50 16.795 24.727 36.616 0.50 7.73 O ATOM 245 CB AGLN A 50 15.938 26.978 38.271 0.50 8.61 C ATOM 246 CB BGLN A 50 15.594 26.985 37.934 0.50 9.20 C ATOM 247 CG AGLN A 50 15.922 25.841 39.285 0.50 14.87 C ATOM 248 CG BGLN A 50 15.435 27.761 39.228 0.50 12.46 C ATOM 249 CD AGLN A 50 15.733 26.302 40.705 0.50 23.10 C ATOM 250 CD BGLN A 50 14.097 27.441 39.842 0.50 19.10 C ATOM 251 OE1AGLN A 50 15.483 27.482 40.986 0.50 19.39 O ATOM 252 OE1BGLN A 50 14.002 26.643 40.778 0.50 23.50 O ATOM 253 NE2AGLN A 50 15.855 25.374 41.636 0.50 8.89 N ATOM 254 NE2BGLN A 50 13.023 28.000 39.300 0.50 6.24 N ATOM 0 H AGLN A 50 16.736 28.554 36.209 0.50 7.91 H new ATOM 0 H BGLN A 50 16.718 28.615 36.228 0.50 7.91 H new ATOM 0 HA AGLN A 50 17.945 26.726 37.817 0.50 7.96 H new ATOM 0 HA BGLN A 50 17.704 26.797 37.947 0.50 7.96 H new ATOM 0 HB2AGLN A 50 15.928 27.823 38.748 0.50 9.20 H new ATOM 0 HB2BGLN A 50 14.971 27.346 37.284 0.50 9.20 H new ATOM 0 HB3AGLN A 50 15.124 26.940 37.745 0.50 9.20 H new ATOM 0 HB3BGLN A 50 15.333 26.065 38.097 0.50 9.20 H new ATOM 0 HG2AGLN A 50 15.210 25.224 39.056 0.50 12.46 H new ATOM 0 HG2BGLN A 50 16.148 27.531 39.844 0.50 12.46 H new ATOM 0 HG3AGLN A 50 16.755 25.349 39.221 0.50 12.46 H new ATOM 0 HG3BGLN A 50 15.504 28.713 39.056 0.50 12.46 H new ATOM 0 HE21AGLN A 50 16.029 24.562 41.413 0.50 6.24 H new ATOM 0 HE21BGLN A 50 13.109 28.554 38.648 0.50 6.24 H new ATOM 0 HE22AGLN A 50 15.760 25.582 42.465 0.50 6.24 H new ATOM 0 HE22BGLN A 50 12.240 27.808 39.601 0.50 6.24 H new ATOM 255 N TRP A 51 17.162 26.225 34.961 1.00 4.88 N ATOM 256 CA TRP A 51 16.978 25.234 33.923 1.00 5.50 C ATOM 257 C TRP A 51 18.037 25.237 32.908 1.00 6.89 C ATOM 258 O TRP A 51 18.450 26.300 32.419 1.00 4.62 O ATOM 259 CB TRP A 51 15.626 25.477 33.239 1.00 5.12 C ATOM 260 CG TRP A 51 14.439 25.127 34.112 1.00 6.39 C ATOM 261 CD1 TRP A 51 13.750 25.967 34.944 1.00 9.40 C ATOM 262 CD2 TRP A 51 13.774 23.855 34.187 1.00 6.15 C ATOM 263 NE1 TRP A 51 12.732 25.276 35.576 1.00 7.83 N ATOM 264 CE2 TRP A 51 12.693 23.995 35.088 1.00 9.29 C ATOM 265 CE3 TRP A 51 13.980 22.612 33.570 1.00 7.33 C ATOM 266 CZ2 TRP A 51 11.811 22.941 35.374 1.00 8.41 C ATOM 267 CZ3 TRP A 51 13.139 21.554 33.897 1.00 8.17 C ATOM 268 CH2 TRP A 51 12.073 21.722 34.793 1.00 8.50 C ATOM 0 H ATRP A 51 17.367 27.014 34.687 0.50 4.88 H new ATOM 0 H BTRP A 51 17.370 27.012 34.684 0.50 4.88 H new ATOM 0 HA TRP A 51 17.011 24.366 34.355 1.00 5.50 H new ATOM 0 HB2 TRP A 51 15.565 26.410 32.980 1.00 5.12 H new ATOM 0 HB3 TRP A 51 15.585 24.953 32.424 1.00 5.12 H new ATOM 0 HD1 TRP A 51 13.938 26.869 35.066 1.00 9.40 H new ATOM 0 HE1 TRP A 51 12.208 25.598 36.178 1.00 7.83 H new ATOM 0 HE3 TRP A 51 14.667 22.498 32.953 1.00 7.33 H new ATOM 0 HZ2 TRP A 51 11.079 23.062 35.934 1.00 8.41 H new ATOM 0 HZ3 TRP A 51 13.286 20.719 33.514 1.00 8.17 H new ATOM 0 HH2 TRP A 51 11.532 20.994 34.999 1.00 8.50 H new ATOM 269 N VAL A 52 18.423 24.005 32.540 1.00 4.43 N ATOM 270 CA VAL A 52 19.375 23.754 31.464 1.00 4.94 C ATOM 271 C VAL A 52 18.687 22.946 30.375 1.00 8.09 C ATOM 272 O VAL A 52 17.877 22.065 30.676 1.00 8.63 O ATOM 273 CB VAL A 52 20.608 22.987 32.022 1.00 7.79 C ATOM 274 CG1 VAL A 52 21.478 22.373 30.903 1.00 7.79 C ATOM 275 CG2 VAL A 52 21.441 23.898 32.912 1.00 6.90 C ATOM 0 H VAL A 52 18.132 23.289 32.917 1.00 4.43 H new ATOM 0 HA VAL A 52 19.683 24.594 31.089 1.00 4.94 H new ATOM 0 HB VAL A 52 20.270 22.248 32.552 1.00 7.79 H new ATOM 0 HG11 VAL A 52 22.232 21.907 31.298 1.00 7.79 H new ATOM 0 HG12 VAL A 52 20.946 21.748 30.386 1.00 7.79 H new ATOM 0 HG13 VAL A 52 21.803 23.078 30.322 1.00 7.79 H new ATOM 0 HG21 VAL A 52 22.205 23.407 33.252 1.00 6.90 H new ATOM 0 HG22 VAL A 52 21.750 24.660 32.397 1.00 6.90 H new ATOM 0 HG23 VAL A 52 20.900 24.208 33.655 1.00 6.90 H new ATOM 276 N AVAL A 53 18.999 23.273 29.102 0.50 5.29 N ATOM 277 N BVAL A 53 18.987 23.248 29.122 0.50 4.10 N ATOM 278 CA AVAL A 53 18.554 22.564 27.899 0.50 4.94 C ATOM 279 CA BVAL A 53 18.485 22.425 28.037 0.50 3.00 C ATOM 280 C AVAL A 53 19.731 21.705 27.413 0.50 7.56 C ATOM 281 C BVAL A 53 19.683 21.683 27.446 0.50 6.65 C ATOM 282 O AVAL A 53 20.834 22.226 27.248 0.50 6.08 O ATOM 283 O BVAL A 53 20.759 22.257 27.276 0.50 4.89 O ATOM 284 CB AVAL A 53 18.072 23.571 26.805 0.50 10.02 C ATOM 285 CB BVAL A 53 17.644 23.205 27.005 0.50 5.47 C ATOM 286 CG1AVAL A 53 18.300 23.046 25.398 0.50 10.42 C ATOM 287 CG1BVAL A 53 18.490 24.222 26.251 0.50 3.95 C ATOM 288 CG2AVAL A 53 16.605 23.895 26.982 0.50 9.84 C ATOM 289 CG2BVAL A 53 16.919 22.258 26.060 0.50 4.32 C ATOM 0 H AVAL A 53 19.500 23.947 28.918 0.50 4.10 H new ATOM 0 H BVAL A 53 19.473 23.915 28.881 0.50 4.10 H new ATOM 0 HA AVAL A 53 17.793 21.995 28.094 0.50 3.00 H new ATOM 0 HA BVAL A 53 17.843 21.781 28.375 0.50 3.00 H new ATOM 0 HB AVAL A 53 18.602 24.375 26.918 0.50 5.47 H new ATOM 0 HB BVAL A 53 16.968 23.703 27.490 0.50 5.47 H new ATOM 0 HG11AVAL A 53 17.988 23.700 24.754 0.50 3.95 H new ATOM 0 HG11BVAL A 53 17.935 24.695 25.612 0.50 3.95 H new ATOM 0 HG12AVAL A 53 19.247 22.885 25.262 0.50 3.95 H new ATOM 0 HG12BVAL A 53 18.870 24.856 26.879 0.50 3.95 H new ATOM 0 HG13AVAL A 53 17.811 22.217 25.279 0.50 3.95 H new ATOM 0 HG13BVAL A 53 19.205 23.764 25.781 0.50 3.95 H new ATOM 0 HG21AVAL A 53 16.326 24.520 26.295 0.50 4.32 H new ATOM 0 HG21BVAL A 53 16.399 22.772 25.423 0.50 4.32 H new ATOM 0 HG22AVAL A 53 16.083 23.081 26.909 0.50 4.32 H new ATOM 0 HG22BVAL A 53 17.568 21.716 25.585 0.50 4.32 H new ATOM 0 HG23AVAL A 53 16.464 24.292 27.856 0.50 4.32 H new ATOM 0 HG23BVAL A 53 16.328 21.682 26.569 0.50 4.32 H new ATOM 290 N SER A 54 19.493 20.406 27.168 1.00 4.94 N ATOM 291 CA SER A 54 20.539 19.542 26.637 1.00 3.00 C ATOM 292 C SER A 54 19.889 18.593 25.649 1.00 4.41 C ATOM 293 O SER A 54 18.711 18.783 25.313 1.00 4.17 O ATOM 294 CB SER A 54 21.244 18.786 27.771 1.00 3.23 C ATOM 295 OG SER A 54 22.441 18.170 27.324 1.00 4.87 O ATOM 0 H ASER A 54 18.738 20.017 27.304 0.50 4.94 H new ATOM 0 H BSER A 54 18.740 20.006 27.283 0.50 4.94 H new ATOM 0 HA SER A 54 21.222 20.064 26.188 1.00 3.00 H new ATOM 0 HB2 SER A 54 21.446 19.401 28.494 1.00 3.23 H new ATOM 0 HB3 SER A 54 20.647 18.111 28.131 1.00 3.23 H new ATOM 0 HG SER A 54 23.088 18.690 27.452 1.00 4.87 H new ATOM 296 N ALA A 55 20.642 17.579 25.181 1.00 3.00 N ATOM 297 CA ALA A 55 20.123 16.573 24.276 1.00 3.89 C ATOM 298 C ALA A 55 19.518 15.445 25.128 1.00 6.23 C ATOM 299 O ALA A 55 20.030 15.133 26.211 1.00 5.16 O ATOM 300 CB ALA A 55 21.246 16.020 23.430 1.00 6.12 C ATOM 0 H ALA A 55 21.469 17.468 25.389 1.00 3.00 H new ATOM 0 HA ALA A 55 19.452 16.957 23.690 1.00 3.89 H new ATOM 0 HB1 ALA A 55 20.895 15.347 22.826 1.00 6.12 H new ATOM 0 HB2 ALA A 55 21.648 16.738 22.916 1.00 6.12 H new ATOM 0 HB3 ALA A 55 21.917 15.619 24.004 1.00 6.12 H new ATOM 301 N ALA A 56 18.392 14.867 24.659 1.00 3.20 N ATOM 302 CA ALA A 56 17.778 13.735 25.346 1.00 4.43 C ATOM 303 C ALA A 56 18.766 12.556 25.455 1.00 4.90 C ATOM 304 O ALA A 56 18.714 11.795 26.422 1.00 4.09 O ATOM 305 CB ALA A 56 16.533 13.302 24.611 1.00 5.28 C ATOM 0 H ALA A 56 17.979 15.121 23.949 1.00 3.20 H new ATOM 0 HA ALA A 56 17.539 14.014 26.244 1.00 4.43 H new ATOM 0 HB1 ALA A 56 16.130 12.550 25.072 1.00 5.28 H new ATOM 0 HB2 ALA A 56 15.902 14.038 24.581 1.00 5.28 H new ATOM 0 HB3 ALA A 56 16.766 13.039 23.707 1.00 5.28 H new ATOM 306 N HIS A 57 19.699 12.422 24.478 1.00 3.00 N ATOM 307 CA HIS A 57 20.667 11.317 24.574 1.00 3.20 C ATOM 308 C HIS A 57 21.691 11.560 25.702 1.00 4.94 C ATOM 309 O HIS A 57 22.475 10.649 26.009 1.00 5.66 O ATOM 310 CB HIS A 57 21.339 11.018 23.249 1.00 4.71 C ATOM 311 CG HIS A 57 22.345 12.038 22.874 1.00 7.66 C ATOM 312 ND1 HIS A 57 22.107 12.943 21.867 1.00 8.10 N ATOM 313 CD2 HIS A 57 23.571 12.271 23.397 1.00 8.00 C ATOM 314 CE1 HIS A 57 23.186 13.706 21.809 1.00 8.02 C ATOM 315 NE2 HIS A 57 24.084 13.344 22.735 1.00 8.11 N ATOM 0 H HIS A 57 19.781 12.934 23.792 1.00 3.00 H new ATOM 0 HA HIS A 57 20.164 10.521 24.807 1.00 3.20 H new ATOM 0 HB2 HIS A 57 21.768 10.149 23.297 1.00 4.71 H new ATOM 0 HB3 HIS A 57 20.665 10.964 22.554 1.00 4.71 H new ATOM 0 HD1 HIS A 57 21.403 13.001 21.377 1.00 8.10 H new ATOM 0 HD2 HIS A 57 23.984 11.790 24.078 1.00 8.00 H new ATOM 0 HE1 HIS A 57 23.306 14.403 21.205 1.00 8.02 H new ATOM 316 N CYS A 58 21.667 12.759 26.327 1.00 3.05 N ATOM 317 CA CYS A 58 22.530 13.056 27.460 1.00 3.99 C ATOM 318 C CYS A 58 21.873 12.640 28.772 1.00 7.33 C ATOM 319 O CYS A 58 22.434 12.892 29.833 1.00 7.39 O ATOM 320 CB CYS A 58 22.908 14.525 27.479 1.00 4.24 C ATOM 321 SG CYS A 58 23.976 14.997 26.115 1.00 6.60 S ATOM 0 H CYS A 58 21.150 13.407 26.098 1.00 3.05 H new ATOM 0 HA CYS A 58 23.345 12.539 27.361 1.00 3.99 H new ATOM 0 HB2 CYS A 58 22.100 15.061 27.450 1.00 4.24 H new ATOM 0 HB3 CYS A 58 23.354 14.728 28.316 1.00 4.24 H new ATOM 322 N TYR A 59 20.672 12.057 28.715 1.00 5.33 N ATOM 323 CA TYR A 59 19.998 11.645 29.914 1.00 5.41 C ATOM 324 C TYR A 59 20.790 10.583 30.657 1.00 7.99 C ATOM 325 O TYR A 59 21.325 9.646 30.050 1.00 7.92 O ATOM 326 CB TYR A 59 18.555 11.142 29.625 1.00 7.13 C ATOM 327 CG TYR A 59 18.031 10.345 30.791 1.00 7.49 C ATOM 328 CD1 TYR A 59 17.605 10.983 31.961 1.00 8.77 C ATOM 329 CD2 TYR A 59 18.183 8.962 30.827 1.00 8.17 C ATOM 330 CE1 TYR A 59 17.245 10.249 33.094 1.00 9.78 C ATOM 331 CE2 TYR A 59 17.872 8.228 31.965 1.00 9.45 C ATOM 332 CZ TYR A 59 17.393 8.869 33.083 1.00 11.84 C ATOM 333 OH TYR A 59 17.149 8.081 34.172 1.00 14.15 O ATOM 0 H TYR A 59 20.243 11.898 27.987 1.00 5.33 H new ATOM 0 HA TYR A 59 19.931 12.429 30.481 1.00 5.41 H new ATOM 0 HB2 TYR A 59 17.971 11.898 29.454 1.00 7.13 H new ATOM 0 HB3 TYR A 59 18.552 10.594 28.824 1.00 7.13 H new ATOM 0 HD1 TYR A 59 17.561 11.912 31.985 1.00 8.77 H new ATOM 0 HD2 TYR A 59 18.500 8.519 30.073 1.00 8.17 H new ATOM 0 HE1 TYR A 59 16.910 10.680 33.847 1.00 9.78 H new ATOM 0 HE2 TYR A 59 17.988 7.305 31.970 1.00 9.45 H new ATOM 0 HH TYR A 59 17.292 7.277 33.974 1.00 14.15 H new ATOM 334 N LYS A 60 20.871 10.762 31.974 1.00 8.53 N ATOM 335 CA LYS A 60 21.388 9.797 32.933 1.00 9.56 C ATOM 336 C LYS A 60 21.061 10.267 34.314 1.00 10.03 C ATOM 337 O LYS A 60 20.734 11.435 34.505 1.00 9.02 O ATOM 338 CB LYS A 60 22.889 9.504 32.765 1.00 13.45 C ATOM 339 CG LYS A 60 23.760 10.709 32.939 1.00 9.85 C ATOM 340 CD LYS A 60 25.227 10.288 33.109 1.00 13.97 C ATOM 341 CE LYS A 60 25.899 9.770 31.850 1.00 14.18 C ATOM 342 NZ LYS A 60 27.335 9.484 32.128 1.00 11.48 N ATOM 0 H LYS A 60 20.611 11.491 32.349 1.00 8.53 H new ATOM 0 HA LYS A 60 20.954 8.946 32.765 1.00 9.56 H new ATOM 0 HB2 LYS A 60 23.153 8.828 33.409 1.00 13.45 H new ATOM 0 HB3 LYS A 60 23.041 9.130 31.883 1.00 13.45 H new ATOM 0 HG2 LYS A 60 23.672 11.293 32.170 1.00 9.85 H new ATOM 0 HG3 LYS A 60 23.471 11.215 33.714 1.00 9.85 H new ATOM 0 HD2 LYS A 60 25.731 11.049 33.438 1.00 13.97 H new ATOM 0 HD3 LYS A 60 25.274 9.600 33.791 1.00 13.97 H new ATOM 0 HE2 LYS A 60 25.453 8.965 31.543 1.00 14.18 H new ATOM 0 HE3 LYS A 60 25.822 10.425 31.139 1.00 14.18 H new ATOM 0 HZ1 LYS A 60 27.798 9.522 31.369 1.00 11.48 H new ATOM 0 HZ2 LYS A 60 27.653 10.088 32.699 1.00 11.48 H new ATOM 0 HZ3 LYS A 60 27.413 8.671 32.483 1.00 11.48 H new ATOM 343 N SER A 61 21.158 9.364 35.292 1.00 9.39 N ATOM 344 CA SER A 61 20.932 9.748 36.687 1.00 10.01 C ATOM 345 C SER A 61 22.274 10.368 37.209 1.00 13.17 C ATOM 346 O SER A 61 23.328 10.220 36.574 1.00 12.83 O ATOM 347 CB SER A 61 20.536 8.516 37.506 1.00 14.58 C ATOM 348 OG SER A 61 21.534 7.521 37.363 1.00 26.01 O ATOM 0 H SER A 61 21.351 8.535 35.171 1.00 9.39 H new ATOM 0 HA SER A 61 20.211 10.392 36.768 1.00 10.01 H new ATOM 0 HB2 SER A 61 20.434 8.755 38.441 1.00 14.58 H new ATOM 0 HB3 SER A 61 19.679 8.176 37.205 1.00 14.58 H new ATOM 0 HG SER A 61 21.294 6.965 36.781 1.00 26.01 H new ATOM 349 N GLY A 62 22.214 11.065 38.336 1.00 13.60 N ATOM 350 CA GLY A 62 23.412 11.617 38.970 1.00 12.78 C ATOM 351 C GLY A 62 24.115 12.697 38.171 1.00 16.44 C ATOM 352 O GLY A 62 25.345 12.709 38.068 1.00 17.43 O ATOM 0 H GLY A 62 21.483 11.233 38.756 1.00 13.60 H new ATOM 0 HA2 GLY A 62 23.166 11.981 39.835 1.00 12.78 H new ATOM 0 HA3 GLY A 62 24.038 10.894 39.134 1.00 12.78 H new ATOM 353 N ILE A 63 23.353 13.588 37.577 1.00 9.36 N ATOM 354 CA ILE A 63 23.981 14.684 36.822 1.00 7.17 C ATOM 355 C ILE A 63 24.257 15.843 37.752 1.00 9.63 C ATOM 356 O ILE A 63 23.364 16.259 38.500 1.00 8.60 O ATOM 357 CB ILE A 63 23.072 15.161 35.649 1.00 7.59 C ATOM 358 CG1 ILE A 63 22.827 14.008 34.635 1.00 7.57 C ATOM 359 CG2 ILE A 63 23.619 16.447 34.948 1.00 9.15 C ATOM 360 CD1 ILE A 63 21.891 14.401 33.444 1.00 8.63 C ATOM 0 H ILE A 63 22.493 13.591 37.588 1.00 9.36 H new ATOM 0 HA ILE A 63 24.812 14.355 36.445 1.00 7.17 H new ATOM 0 HB ILE A 63 22.216 15.409 36.033 1.00 7.59 H new ATOM 0 HG12 ILE A 63 23.681 13.714 34.281 1.00 7.57 H new ATOM 0 HG13 ILE A 63 22.439 13.253 35.104 1.00 7.57 H new ATOM 0 HG21 ILE A 63 23.021 16.703 34.228 1.00 9.15 H new ATOM 0 HG22 ILE A 63 23.675 17.169 35.594 1.00 9.15 H new ATOM 0 HG23 ILE A 63 24.501 16.268 34.587 1.00 9.15 H new ATOM 0 HD11 ILE A 63 21.782 13.639 32.853 1.00 8.63 H new ATOM 0 HD12 ILE A 63 21.025 14.670 33.788 1.00 8.63 H new ATOM 0 HD13 ILE A 63 22.286 15.138 32.951 1.00 8.63 H new ATOM 361 N GLN A 64 25.481 16.413 37.649 1.00 5.17 N ATOM 362 CA GLN A 64 25.828 17.645 38.316 1.00 6.13 C ATOM 363 C GLN A 64 26.037 18.618 37.190 1.00 8.80 C ATOM 364 O GLN A 64 26.804 18.348 36.262 1.00 7.44 O ATOM 365 CB GLN A 64 27.084 17.547 39.166 1.00 7.70 C ATOM 366 CG GLN A 64 27.333 18.862 39.940 1.00 9.30 C ATOM 367 CD GLN A 64 28.606 18.801 40.735 1.00 14.98 C ATOM 368 OE1 GLN A 64 29.677 18.636 40.181 1.00 7.40 O ATOM 369 NE2 GLN A 64 28.513 18.881 42.052 1.00 12.31 N ATOM 0 H GLN A 64 26.121 16.077 37.183 1.00 5.17 H new ATOM 0 HA GLN A 64 25.133 17.904 38.941 1.00 6.13 H new ATOM 0 HB2 GLN A 64 26.999 16.811 39.792 1.00 7.70 H new ATOM 0 HB3 GLN A 64 27.847 17.351 38.600 1.00 7.70 H new ATOM 0 HG2 GLN A 64 27.375 19.603 39.316 1.00 9.30 H new ATOM 0 HG3 GLN A 64 26.587 19.035 40.535 1.00 9.30 H new ATOM 0 HE21 GLN A 64 27.746 18.998 42.423 1.00 12.31 H new ATOM 0 HE22 GLN A 64 29.220 18.816 42.538 1.00 12.31 H new ATOM 370 N VAL A 65 25.334 19.739 37.248 1.00 5.33 N ATOM 371 CA VAL A 65 25.482 20.778 36.241 1.00 4.89 C ATOM 372 C VAL A 65 26.653 21.672 36.659 1.00 5.70 C ATOM 373 O VAL A 65 26.709 22.137 37.812 1.00 7.01 O ATOM 374 CB VAL A 65 24.163 21.549 36.083 1.00 9.05 C ATOM 375 CG1 VAL A 65 24.360 22.823 35.267 1.00 8.29 C ATOM 376 CG2 VAL A 65 23.084 20.662 35.455 1.00 8.29 C ATOM 0 H VAL A 65 24.763 19.919 37.865 1.00 5.33 H new ATOM 0 HA VAL A 65 25.680 20.402 35.369 1.00 4.89 H new ATOM 0 HB VAL A 65 23.865 21.808 36.969 1.00 9.05 H new ATOM 0 HG11 VAL A 65 23.513 23.288 35.184 1.00 8.29 H new ATOM 0 HG12 VAL A 65 25.001 23.398 35.713 1.00 8.29 H new ATOM 0 HG13 VAL A 65 24.691 22.594 34.384 1.00 8.29 H new ATOM 0 HG21 VAL A 65 22.261 21.168 35.365 1.00 8.29 H new ATOM 0 HG22 VAL A 65 23.378 20.365 34.580 1.00 8.29 H new ATOM 0 HG23 VAL A 65 22.928 19.891 36.022 1.00 8.29 H new ATOM 377 N ARG A 66 27.584 21.904 35.722 1.00 4.56 N ATOM 378 CA ARG A 66 28.734 22.735 35.980 1.00 4.25 C ATOM 379 C ARG A 66 28.692 23.968 35.121 1.00 8.09 C ATOM 380 O ARG A 66 28.845 23.906 33.902 1.00 6.37 O ATOM 381 CB ARG A 66 30.040 21.956 35.851 1.00 3.72 C ATOM 382 CG ARG A 66 30.073 20.774 36.806 1.00 3.98 C ATOM 383 CD ARG A 66 31.412 20.084 36.865 1.00 5.45 C ATOM 384 NE ARG A 66 31.522 19.434 38.176 1.00 3.86 N ATOM 385 CZ ARG A 66 32.652 19.247 38.837 1.00 8.77 C ATOM 386 NH1 ARG A 66 33.821 19.504 38.257 1.00 6.07 N ATOM 387 NH2 ARG A 66 32.628 18.766 40.071 1.00 7.89 N ATOM 0 H ARG A 66 27.554 21.579 34.926 1.00 4.56 H new ATOM 0 HA ARG A 66 28.700 23.030 36.904 1.00 4.25 H new ATOM 0 HB2 ARG A 66 30.143 21.641 34.939 1.00 3.72 H new ATOM 0 HB3 ARG A 66 30.789 22.544 36.034 1.00 3.72 H new ATOM 0 HG2 ARG A 66 29.835 21.080 37.695 1.00 3.98 H new ATOM 0 HG3 ARG A 66 29.398 20.131 36.537 1.00 3.98 H new ATOM 0 HD2 ARG A 66 31.489 19.430 36.153 1.00 5.45 H new ATOM 0 HD3 ARG A 66 32.130 20.724 36.741 1.00 5.45 H new ATOM 0 HE ARG A 66 30.796 19.153 38.542 1.00 3.86 H new ATOM 0 HH11 ARG A 66 33.845 19.794 37.448 1.00 6.07 H new ATOM 0 HH12 ARG A 66 34.553 19.381 38.691 1.00 6.07 H new ATOM 0 HH21 ARG A 66 31.877 18.575 40.443 1.00 7.89 H new ATOM 0 HH22 ARG A 66 33.364 18.645 40.500 1.00 7.89 H new ATOM 388 N LEU A 67 28.455 25.092 35.790 1.00 5.71 N ATOM 389 CA ALEU A 67 28.349 26.404 35.159 0.50 4.59 C ATOM 390 CA BLEU A 67 28.355 26.409 35.160 0.50 5.13 C ATOM 391 C LEU A 67 29.630 27.198 35.361 1.00 7.79 C ATOM 392 O LEU A 67 30.413 26.888 36.260 1.00 6.76 O ATOM 393 CB ALEU A 67 27.162 27.169 35.772 0.50 3.68 C ATOM 394 CB BLEU A 67 27.179 27.211 35.760 0.50 4.67 C ATOM 395 CG ALEU A 67 25.836 26.418 35.726 0.50 7.01 C ATOM 396 CG BLEU A 67 25.829 26.507 35.814 0.50 9.13 C ATOM 397 CD1ALEU A 67 25.495 25.818 37.096 0.50 6.11 C ATOM 398 CD1BLEU A 67 24.846 27.321 36.593 0.50 8.42 C ATOM 399 CD2ALEU A 67 24.742 27.325 35.280 0.50 8.00 C ATOM 400 CD2BLEU A 67 25.280 26.262 34.449 0.50 11.90 C ATOM 0 H ALEU A 67 28.349 25.114 36.643 0.50 5.71 H new ATOM 0 H BLEU A 67 28.345 25.113 36.643 0.50 5.71 H new ATOM 0 HA ALEU A 67 28.207 26.285 34.207 0.50 5.13 H new ATOM 0 HA BLEU A 67 28.206 26.269 34.212 0.50 5.13 H new ATOM 0 HB2ALEU A 67 27.370 27.380 36.696 0.50 4.67 H new ATOM 0 HB2BLEU A 67 27.420 27.473 36.662 0.50 4.67 H new ATOM 0 HB3ALEU A 67 27.059 28.013 35.305 0.50 4.67 H new ATOM 0 HB3BLEU A 67 27.075 28.027 35.246 0.50 4.67 H new ATOM 0 HG ALEU A 67 25.925 25.692 35.089 0.50 9.13 H new ATOM 0 HG BLEU A 67 25.970 25.652 36.250 0.50 9.13 H new ATOM 0 HD11ALEU A 67 24.649 25.346 37.041 0.50 8.42 H new ATOM 0 HD11BLEU A 67 23.993 26.861 36.619 0.50 8.42 H new ATOM 0 HD12ALEU A 67 26.193 25.199 37.361 0.50 8.42 H new ATOM 0 HD12BLEU A 67 25.173 27.445 37.498 0.50 8.42 H new ATOM 0 HD13ALEU A 67 25.427 26.529 37.753 0.50 8.42 H new ATOM 0 HD13BLEU A 67 24.734 28.186 36.169 0.50 8.42 H new ATOM 0 HD21ALEU A 67 23.905 26.835 35.255 0.50 11.90 H new ATOM 0 HD21BLEU A 67 24.423 25.814 34.520 0.50 11.90 H new ATOM 0 HD22ALEU A 67 24.664 28.067 35.900 0.50 11.90 H new ATOM 0 HD22BLEU A 67 25.165 27.109 33.990 0.50 11.90 H new ATOM 0 HD23ALEU A 67 24.944 27.664 34.394 0.50 11.90 H new ATOM 0 HD23BLEU A 67 25.895 25.704 33.948 0.50 11.90 H new ATOM 401 N GLY A 69 29.831 28.219 34.532 1.00 5.84 N ATOM 402 CA GLY A 69 30.999 29.090 34.625 1.00 4.73 C ATOM 403 C GLY A 69 32.307 28.361 34.394 1.00 7.17 C ATOM 404 O GLY A 69 33.353 28.775 34.908 1.00 6.96 O ATOM 0 H GLY A 69 29.290 28.427 33.896 1.00 5.84 H new ATOM 0 HA2 GLY A 69 30.915 29.805 33.975 1.00 4.73 H new ATOM 0 HA3 GLY A 69 31.017 29.505 35.502 1.00 4.73 H new ATOM 405 N GLU A 70 32.261 27.284 33.590 1.00 3.59 N ATOM 406 CA GLU A 70 33.471 26.515 33.345 1.00 3.46 C ATOM 407 C GLU A 70 34.281 26.995 32.185 1.00 6.83 C ATOM 408 O GLU A 70 33.716 27.356 31.164 1.00 5.79 O ATOM 409 CB GLU A 70 33.119 25.061 33.025 1.00 3.03 C ATOM 410 CG GLU A 70 32.675 24.250 34.221 1.00 3.00 C ATOM 411 CD GLU A 70 33.814 23.767 35.094 1.00 7.05 C ATOM 412 OE1 GLU A 70 34.954 24.248 34.909 1.00 6.58 O ATOM 413 OE2 GLU A 70 33.575 22.856 35.914 1.00 7.26 O ATOM 0 H GLU A 70 31.555 26.996 33.192 1.00 3.59 H new ATOM 0 HA GLU A 70 33.989 26.615 34.159 1.00 3.46 H new ATOM 0 HB2 GLU A 70 32.413 25.049 32.360 1.00 3.03 H new ATOM 0 HB3 GLU A 70 33.892 24.632 32.626 1.00 3.03 H new ATOM 0 HG2 GLU A 70 32.073 24.787 34.759 1.00 3.00 H new ATOM 0 HG3 GLU A 70 32.170 23.482 33.910 1.00 3.00 H new ATOM 414 N ASP A 71 35.604 26.901 32.312 1.00 5.28 N ATOM 415 CA ASP A 71 36.498 27.019 31.180 1.00 5.37 C ATOM 416 C ASP A 71 37.271 25.734 31.205 1.00 8.13 C ATOM 417 O ASP A 71 36.835 24.769 30.583 1.00 5.72 O ATOM 418 CB ASP A 71 37.403 28.251 31.146 1.00 6.10 C ATOM 419 CG ASP A 71 38.061 28.319 29.772 1.00 8.89 C ATOM 420 OD1 ASP A 71 37.352 28.065 28.748 1.00 5.93 O ATOM 421 OD2 ASP A 71 39.279 28.542 29.712 1.00 9.01 O ATOM 0 H ASP A 71 36.002 26.767 33.062 1.00 5.28 H new ATOM 0 HA ASP A 71 35.986 27.158 30.368 1.00 5.37 H new ATOM 0 HB2 ASP A 71 36.887 29.055 31.314 1.00 6.10 H new ATOM 0 HB3 ASP A 71 38.077 28.195 31.842 1.00 6.10 H new ATOM 422 N ASN A 72 38.328 25.657 32.025 1.00 3.11 N ATOM 423 CA ASN A 72 39.037 24.393 32.105 1.00 3.55 C ATOM 424 C ASN A 72 38.185 23.468 33.007 1.00 5.96 C ATOM 425 O ASN A 72 38.002 23.747 34.190 1.00 5.37 O ATOM 426 CB ASN A 72 40.429 24.585 32.684 1.00 6.72 C ATOM 427 CG ASN A 72 41.243 23.320 32.583 1.00 7.54 C ATOM 428 OD1 ASN A 72 40.764 22.210 32.875 1.00 8.09 O ATOM 429 ND2 ASN A 72 42.486 23.428 32.090 1.00 4.27 N ATOM 0 H ASN A 72 38.632 26.294 32.516 1.00 3.11 H new ATOM 0 HA ASN A 72 39.156 24.006 31.224 1.00 3.55 H new ATOM 0 HB2 ASN A 72 40.882 25.302 32.213 1.00 6.72 H new ATOM 0 HB3 ASN A 72 40.361 24.855 33.613 1.00 6.72 H new ATOM 0 HD21 ASN A 72 42.964 22.723 31.972 1.00 4.27 H new ATOM 0 HD22 ASN A 72 42.804 24.202 31.892 1.00 4.27 H new ATOM 430 N ILE A 73 37.620 22.392 32.434 1.00 3.26 N ATOM 431 CA ILE A 73 36.773 21.491 33.230 1.00 3.00 C ATOM 432 C ILE A 73 37.548 20.580 34.203 1.00 6.03 C ATOM 433 O ILE A 73 36.925 19.887 35.025 1.00 6.31 O ATOM 434 CB ILE A 73 35.827 20.672 32.321 1.00 5.17 C ATOM 435 CG1 ILE A 73 36.601 19.962 31.193 1.00 5.29 C ATOM 436 CG2 ILE A 73 34.691 21.537 31.796 1.00 6.37 C ATOM 437 CD1 ILE A 73 35.814 18.802 30.514 1.00 7.55 C ATOM 0 H ILE A 73 37.712 22.172 31.608 1.00 3.26 H new ATOM 0 HA ILE A 73 36.241 22.070 33.798 1.00 3.00 H new ATOM 0 HB ILE A 73 35.424 19.972 32.858 1.00 5.17 H new ATOM 0 HG12 ILE A 73 36.841 20.616 30.518 1.00 5.29 H new ATOM 0 HG13 ILE A 73 37.429 19.610 31.554 1.00 5.29 H new ATOM 0 HG21 ILE A 73 34.112 21.003 31.230 1.00 6.37 H new ATOM 0 HG22 ILE A 73 34.179 21.887 32.542 1.00 6.37 H new ATOM 0 HG23 ILE A 73 35.056 22.273 31.281 1.00 6.37 H new ATOM 0 HD11 ILE A 73 36.360 18.404 29.818 1.00 7.55 H new ATOM 0 HD12 ILE A 73 35.594 18.129 31.177 1.00 7.55 H new ATOM 0 HD13 ILE A 73 34.997 19.150 30.124 1.00 7.55 H new ATOM 438 N ASN A 74 38.887 20.631 34.166 1.00 3.00 N ATOM 439 CA ASN A 74 39.702 19.800 35.034 1.00 3.00 C ATOM 440 C ASN A 74 40.340 20.606 36.182 1.00 6.31 C ATOM 441 O ASN A 74 41.006 20.003 37.031 1.00 6.52 O ATOM 442 CB ASN A 74 40.790 19.082 34.222 1.00 4.14 C ATOM 443 CG ASN A 74 40.339 17.732 33.749 1.00 5.72 C ATOM 444 OD1 ASN A 74 39.556 17.056 34.430 1.00 4.55 O ATOM 445 ND2 ASN A 74 40.901 17.293 32.631 1.00 4.33 N ATOM 0 H ASN A 74 39.335 21.144 33.641 1.00 3.00 H new ATOM 0 HA ASN A 74 39.113 19.141 35.434 1.00 3.00 H new ATOM 0 HB2 ASN A 74 41.034 19.627 33.457 1.00 4.14 H new ATOM 0 HB3 ASN A 74 41.587 18.984 34.766 1.00 4.14 H new ATOM 0 HD21 ASN A 74 40.727 16.501 32.345 1.00 4.33 H new ATOM 0 HD22 ASN A 74 41.439 17.800 32.192 1.00 4.33 H new ATOM 446 N VAL A 75 40.171 21.976 36.190 1.00 3.95 N ATOM 447 CA VAL A 75 40.775 22.838 37.211 1.00 3.70 C ATOM 448 C VAL A 75 39.713 23.755 37.752 1.00 7.86 C ATOM 449 O VAL A 75 38.939 24.321 36.971 1.00 6.00 O ATOM 450 CB VAL A 75 41.892 23.689 36.531 1.00 6.23 C ATOM 451 CG1 VAL A 75 42.542 24.693 37.511 1.00 6.61 C ATOM 452 CG2 VAL A 75 42.938 22.815 35.831 1.00 6.86 C ATOM 0 H VAL A 75 39.707 22.401 35.604 1.00 3.95 H new ATOM 0 HA VAL A 75 41.150 22.308 37.932 1.00 3.70 H new ATOM 0 HB VAL A 75 41.456 24.214 35.841 1.00 6.23 H new ATOM 0 HG11 VAL A 75 43.228 25.199 37.048 1.00 6.61 H new ATOM 0 HG12 VAL A 75 41.865 25.300 37.849 1.00 6.61 H new ATOM 0 HG13 VAL A 75 42.941 24.210 38.252 1.00 6.61 H new ATOM 0 HG21 VAL A 75 43.612 23.381 35.423 1.00 6.86 H new ATOM 0 HG22 VAL A 75 43.358 22.230 36.481 1.00 6.86 H new ATOM 0 HG23 VAL A 75 42.507 22.280 35.146 1.00 6.86 H new ATOM 453 N VAL A 76 39.713 23.978 39.065 1.00 4.97 N ATOM 454 CA VAL A 76 38.783 24.951 39.661 1.00 5.46 C ATOM 455 C VAL A 76 39.431 26.313 39.483 1.00 8.70 C ATOM 456 O VAL A 76 40.464 26.601 40.104 1.00 8.87 O ATOM 457 CB VAL A 76 38.444 24.649 41.138 1.00 10.07 C ATOM 458 CG1 VAL A 76 37.602 25.781 41.738 1.00 10.65 C ATOM 459 CG2 VAL A 76 37.714 23.316 41.249 1.00 10.56 C ATOM 0 H VAL A 76 40.234 23.585 39.625 1.00 4.97 H new ATOM 0 HA VAL A 76 37.922 24.910 39.216 1.00 5.46 H new ATOM 0 HB VAL A 76 39.271 24.589 41.641 1.00 10.07 H new ATOM 0 HG11 VAL A 76 37.398 25.577 42.664 1.00 10.65 H new ATOM 0 HG12 VAL A 76 38.099 26.613 41.693 1.00 10.65 H new ATOM 0 HG13 VAL A 76 36.776 25.870 41.237 1.00 10.65 H new ATOM 0 HG21 VAL A 76 37.507 23.137 42.179 1.00 10.56 H new ATOM 0 HG22 VAL A 76 36.892 23.354 40.736 1.00 10.56 H new ATOM 0 HG23 VAL A 76 38.279 22.608 40.902 1.00 10.56 H new ATOM 460 N GLU A 77 38.896 27.108 38.563 1.00 4.38 N ATOM 461 CA GLU A 77 39.511 28.390 38.246 1.00 4.38 C ATOM 462 C GLU A 77 38.874 29.594 38.965 1.00 10.42 C ATOM 463 O GLU A 77 39.425 30.699 38.905 1.00 10.62 O ATOM 464 CB GLU A 77 39.560 28.601 36.734 1.00 5.36 C ATOM 465 CG GLU A 77 40.289 27.475 36.019 1.00 7.29 C ATOM 466 CD GLU A 77 40.347 27.663 34.520 1.00 17.07 C ATOM 467 OE1 GLU A 77 39.290 27.538 33.864 1.00 8.31 O ATOM 468 OE2 GLU A 77 41.459 27.888 33.994 1.00 14.67 O ATOM 0 H GLU A 77 38.185 26.926 38.115 1.00 4.38 H new ATOM 0 HA GLU A 77 40.417 28.345 38.590 1.00 4.38 H new ATOM 0 HB2 GLU A 77 38.656 28.669 36.389 1.00 5.36 H new ATOM 0 HB3 GLU A 77 40.001 29.443 36.541 1.00 5.36 H new ATOM 0 HG2 GLU A 77 41.192 27.410 36.366 1.00 7.29 H new ATOM 0 HG3 GLU A 77 39.848 26.634 36.217 1.00 7.29 H new ATOM 469 N GLY A 78 37.742 29.384 39.618 1.00 9.17 N ATOM 470 CA GLY A 78 37.137 30.432 40.437 1.00 9.89 C ATOM 471 C GLY A 78 35.815 31.003 39.989 1.00 13.95 C ATOM 472 O GLY A 78 35.241 31.811 40.724 1.00 13.06 O ATOM 0 H GLY A 78 37.305 28.643 39.603 1.00 9.17 H new ATOM 0 HA2 GLY A 78 37.020 30.079 41.333 1.00 9.89 H new ATOM 0 HA3 GLY A 78 37.771 31.163 40.500 1.00 9.89 H new ATOM 473 N ASN A 79 35.298 30.601 38.810 1.00 8.54 N ATOM 474 CA ASN A 79 34.005 31.143 38.367 1.00 8.03 C ATOM 475 C ASN A 79 32.888 30.094 38.244 1.00 8.68 C ATOM 476 O ASN A 79 31.791 30.401 37.806 1.00 7.44 O ATOM 477 CB ASN A 79 34.175 31.896 37.059 1.00 9.31 C ATOM 478 CG ASN A 79 34.923 33.173 37.268 1.00 13.99 C ATOM 479 OD1 ASN A 79 34.473 34.081 37.987 1.00 14.52 O ATOM 480 ND2 ASN A 79 36.085 33.249 36.682 1.00 10.23 N ATOM 0 H ASN A 79 35.666 30.038 38.274 1.00 8.54 H new ATOM 0 HA ASN A 79 33.716 31.750 39.066 1.00 8.03 H new ATOM 0 HB2 ASN A 79 34.650 31.340 36.421 1.00 9.31 H new ATOM 0 HB3 ASN A 79 33.304 32.086 36.676 1.00 9.31 H new ATOM 0 HD21 ASN A 79 36.574 33.949 36.786 1.00 10.23 H new ATOM 0 HD22 ASN A 79 36.363 32.599 36.192 1.00 10.23 H new ATOM 481 N GLU A 80 33.171 28.887 38.681 1.00 7.41 N ATOM 482 CA GLU A 80 32.234 27.772 38.559 1.00 7.33 C ATOM 483 C GLU A 80 31.142 27.804 39.554 1.00 9.95 C ATOM 484 O GLU A 80 31.332 28.317 40.651 1.00 7.68 O ATOM 485 CB GLU A 80 32.951 26.432 38.733 1.00 8.14 C ATOM 486 CG GLU A 80 34.082 26.200 37.740 1.00 10.22 C ATOM 487 CD GLU A 80 35.460 26.589 38.233 1.00 10.44 C ATOM 488 OE1 GLU A 80 35.567 27.343 39.234 1.00 6.11 O ATOM 489 OE2 GLU A 80 36.442 26.148 37.593 1.00 5.28 O ATOM 0 H GLU A 80 33.915 28.681 39.061 1.00 7.41 H new ATOM 0 HA GLU A 80 31.856 27.865 37.671 1.00 7.33 H new ATOM 0 HB2 GLU A 80 33.308 26.382 39.633 1.00 8.14 H new ATOM 0 HB3 GLU A 80 32.303 25.715 38.644 1.00 8.14 H new ATOM 0 HG2 GLU A 80 34.094 25.261 37.498 1.00 10.22 H new ATOM 0 HG3 GLU A 80 33.891 26.699 36.931 1.00 10.22 H new ATOM 490 N GLN A 81 30.004 27.209 39.190 1.00 5.68 N ATOM 491 CA GLN A 81 28.882 26.935 40.090 1.00 5.80 C ATOM 492 C GLN A 81 28.567 25.488 39.802 1.00 9.20 C ATOM 493 O GLN A 81 28.361 25.127 38.630 1.00 9.07 O ATOM 494 CB GLN A 81 27.677 27.820 39.847 1.00 5.79 C ATOM 495 CG GLN A 81 28.018 29.256 40.173 1.00 8.58 C ATOM 496 CD GLN A 81 26.883 30.164 39.918 1.00 10.07 C ATOM 497 OE1 GLN A 81 25.749 29.892 40.334 1.00 10.48 O ATOM 498 NE2 GLN A 81 27.183 31.291 39.270 1.00 8.01 N ATOM 0 H GLN A 81 29.860 26.945 38.384 1.00 5.68 H new ATOM 0 HA GLN A 81 29.110 27.115 41.015 1.00 5.80 H new ATOM 0 HB2 GLN A 81 27.395 27.748 38.922 1.00 5.79 H new ATOM 0 HB3 GLN A 81 26.933 27.524 40.394 1.00 5.79 H new ATOM 0 HG2 GLN A 81 28.281 29.322 41.104 1.00 8.58 H new ATOM 0 HG3 GLN A 81 28.780 29.535 39.642 1.00 8.58 H new ATOM 0 HE21 GLN A 81 27.988 31.431 39.002 1.00 8.01 H new ATOM 0 HE22 GLN A 81 26.572 31.877 39.121 1.00 8.01 H new ATOM 499 N PHE A 82 28.636 24.642 40.845 1.00 6.06 N ATOM 500 CA PHE A 82 28.355 23.218 40.686 1.00 5.83 C ATOM 501 C PHE A 82 27.018 22.955 41.339 1.00 9.90 C ATOM 502 O PHE A 82 26.889 23.176 42.544 1.00 9.15 O ATOM 503 CB PHE A 82 29.455 22.361 41.335 1.00 6.82 C ATOM 504 CG PHE A 82 30.872 22.508 40.832 1.00 7.28 C ATOM 505 CD1 PHE A 82 31.129 22.986 39.545 1.00 7.24 C ATOM 506 CD2 PHE A 82 31.945 22.061 41.599 1.00 10.41 C ATOM 507 CE1 PHE A 82 32.430 23.030 39.047 1.00 8.71 C ATOM 508 CE2 PHE A 82 33.250 22.141 41.114 1.00 12.53 C ATOM 509 CZ PHE A 82 33.488 22.650 39.850 1.00 9.80 C ATOM 0 H PHE A 82 28.843 24.879 41.645 1.00 6.06 H new ATOM 0 HA PHE A 82 28.333 22.980 39.746 1.00 5.83 H new ATOM 0 HB2 PHE A 82 29.458 22.554 42.286 1.00 6.82 H new ATOM 0 HB3 PHE A 82 29.201 21.430 41.235 1.00 6.82 H new ATOM 0 HD1 PHE A 82 30.424 23.278 39.014 1.00 7.24 H new ATOM 0 HD2 PHE A 82 31.790 21.705 42.444 1.00 10.41 H new ATOM 0 HE1 PHE A 82 32.586 23.315 38.175 1.00 8.71 H new ATOM 0 HE2 PHE A 82 33.960 21.852 41.640 1.00 12.53 H new ATOM 0 HZ PHE A 82 34.361 22.736 39.541 1.00 9.80 H new ATOM 510 N ILE A 83 25.993 22.599 40.542 1.00 5.75 N ATOM 511 CA ILE A 83 24.643 22.430 41.104 1.00 5.44 C ATOM 512 C ILE A 83 24.091 21.136 40.608 1.00 8.34 C ATOM 513 O ILE A 83 24.015 20.942 39.389 1.00 7.53 O ATOM 514 CB ILE A 83 23.719 23.599 40.649 1.00 7.95 C ATOM 515 CG1 ILE A 83 24.308 24.978 41.016 1.00 7.91 C ATOM 516 CG2 ILE A 83 22.320 23.467 41.278 1.00 7.05 C ATOM 517 CD1 ILE A 83 23.623 26.144 40.366 1.00 9.99 C ATOM 0 H ILE A 83 26.057 22.455 39.697 1.00 5.75 H new ATOM 0 HA ILE A 83 24.687 22.432 42.073 1.00 5.44 H new ATOM 0 HB ILE A 83 23.651 23.540 39.683 1.00 7.95 H new ATOM 0 HG12 ILE A 83 24.265 25.089 41.979 1.00 7.91 H new ATOM 0 HG13 ILE A 83 25.246 24.991 40.770 1.00 7.91 H new ATOM 0 HG21 ILE A 83 21.761 24.203 40.983 1.00 7.05 H new ATOM 0 HG22 ILE A 83 21.919 22.627 41.003 1.00 7.05 H new ATOM 0 HG23 ILE A 83 22.396 23.487 42.245 1.00 7.05 H new ATOM 0 HD11 ILE A 83 24.051 26.968 40.647 1.00 9.99 H new ATOM 0 HD12 ILE A 83 23.686 26.060 39.402 1.00 9.99 H new ATOM 0 HD13 ILE A 83 22.689 26.159 40.629 1.00 9.99 H new ATOM 518 N SER A 84 23.687 20.245 41.540 1.00 6.33 N ATOM 519 CA SER A 84 23.102 18.971 41.164 1.00 5.47 C ATOM 520 C SER A 84 21.743 19.166 40.478 1.00 6.84 C ATOM 521 O SER A 84 21.011 20.099 40.815 1.00 7.42 O ATOM 522 CB SER A 84 22.897 18.094 42.398 1.00 9.88 C ATOM 523 OG SER A 84 24.149 17.839 43.007 1.00 19.68 O ATOM 0 H SER A 84 23.749 20.373 42.388 1.00 6.33 H new ATOM 0 HA SER A 84 23.716 18.542 40.547 1.00 5.47 H new ATOM 0 HB2 SER A 84 22.305 18.536 43.026 1.00 9.88 H new ATOM 0 HB3 SER A 84 22.472 17.259 42.147 1.00 9.88 H new ATOM 0 HG SER A 84 24.483 18.562 43.275 1.00 19.68 H new ATOM 524 N ALA A 85 21.416 18.285 39.541 1.00 6.51 N ATOM 525 CA ALA A 85 20.131 18.273 38.857 1.00 6.12 C ATOM 526 C ALA A 85 19.138 17.685 39.866 1.00 9.37 C ATOM 527 O ALA A 85 19.464 16.711 40.555 1.00 10.38 O ATOM 528 CB ALA A 85 20.205 17.353 37.645 1.00 6.45 C ATOM 0 H ALA A 85 21.949 17.663 39.279 1.00 6.51 H new ATOM 0 HA ALA A 85 19.875 19.159 38.556 1.00 6.12 H new ATOM 0 HB1 ALA A 85 19.348 17.346 37.191 1.00 6.45 H new ATOM 0 HB2 ALA A 85 20.890 17.673 37.037 1.00 6.45 H new ATOM 0 HB3 ALA A 85 20.424 16.453 37.934 1.00 6.45 H new ATOM 529 N SER A 86 17.958 18.284 39.974 1.00 7.34 N ATOM 530 CA SER A 86 16.899 17.775 40.844 1.00 8.37 C ATOM 531 C SER A 86 15.912 16.992 39.998 1.00 10.58 C ATOM 532 O SER A 86 15.147 16.186 40.536 1.00 9.16 O ATOM 533 CB SER A 86 16.180 18.933 41.520 1.00 10.88 C ATOM 534 OG SER A 86 15.637 19.812 40.554 1.00 15.68 O ATOM 0 H SER A 86 17.746 18.999 39.545 1.00 7.34 H new ATOM 0 HA SER A 86 17.283 17.203 41.527 1.00 8.37 H new ATOM 0 HB2 SER A 86 15.472 18.593 42.090 1.00 10.88 H new ATOM 0 HB3 SER A 86 16.798 19.415 42.092 1.00 10.88 H new ATOM 0 HG SER A 86 15.191 20.411 40.939 1.00 15.68 H new ATOM 535 N LYS A 87 15.879 17.270 38.669 1.00 6.35 N ATOM 536 CA LYS A 87 14.910 16.649 37.797 1.00 6.05 C ATOM 537 C LYS A 87 15.366 16.749 36.366 1.00 9.15 C ATOM 538 O LYS A 87 15.887 17.790 35.949 1.00 9.82 O ATOM 539 CB LYS A 87 13.582 17.421 37.942 1.00 7.90 C ATOM 540 CG LYS A 87 12.386 16.826 37.220 1.00 12.81 C ATOM 541 CD LYS A 87 11.132 17.661 37.475 1.00 11.60 C ATOM 542 CE LYS A 87 9.932 16.792 37.709 1.00 14.96 C ATOM 543 NZ LYS A 87 8.722 17.588 38.086 1.00 12.06 N ATOM 0 H LYS A 87 16.416 17.815 38.277 1.00 6.35 H new ATOM 0 HA LYS A 87 14.804 15.714 38.034 1.00 6.05 H new ATOM 0 HB2 LYS A 87 13.368 17.487 38.886 1.00 7.90 H new ATOM 0 HB3 LYS A 87 13.717 18.325 37.618 1.00 7.90 H new ATOM 0 HG2 LYS A 87 12.565 16.785 36.268 1.00 12.81 H new ATOM 0 HG3 LYS A 87 12.241 15.915 37.521 1.00 12.81 H new ATOM 0 HD2 LYS A 87 11.274 18.233 38.245 1.00 11.60 H new ATOM 0 HD3 LYS A 87 10.969 18.242 36.716 1.00 11.60 H new ATOM 0 HE2 LYS A 87 9.744 16.281 36.907 1.00 14.96 H new ATOM 0 HE3 LYS A 87 10.129 16.154 38.412 1.00 14.96 H new ATOM 0 HZ1 LYS A 87 8.103 17.045 38.424 1.00 12.06 H new ATOM 0 HZ2 LYS A 87 8.945 18.198 38.695 1.00 12.06 H new ATOM 0 HZ3 LYS A 87 8.397 17.995 37.364 1.00 12.06 H new ATOM 544 N SER A 88 15.158 15.679 35.617 1.00 5.92 N ATOM 545 CA ASER A 88 15.450 15.659 34.196 0.50 5.56 C ATOM 546 CA BSER A 88 15.443 15.675 34.189 0.50 6.33 C ATOM 547 C SER A 88 14.163 15.304 33.476 1.00 7.43 C ATOM 548 O SER A 88 13.429 14.418 33.938 1.00 8.12 O ATOM 549 CB ASER A 88 16.559 14.662 33.884 0.50 6.23 C ATOM 550 CB BSER A 88 16.581 14.722 33.833 0.50 9.78 C ATOM 551 OG ASER A 88 17.822 15.188 34.261 0.50 5.67 O ATOM 552 OG BSER A 88 16.220 13.357 33.956 0.50 19.64 O ATOM 0 H ASER A 88 14.841 14.939 35.921 0.50 5.92 H new ATOM 0 H BSER A 88 14.849 14.935 35.919 0.50 5.92 H new ATOM 0 HA ASER A 88 15.769 16.526 33.899 0.50 6.33 H new ATOM 0 HA BSER A 88 15.744 16.554 33.910 0.50 6.33 H new ATOM 0 HB2ASER A 88 16.395 13.830 34.355 0.50 9.78 H new ATOM 0 HB2BSER A 88 16.868 14.895 32.923 0.50 9.78 H new ATOM 0 HB3ASER A 88 16.558 14.456 32.936 0.50 9.78 H new ATOM 0 HB3BSER A 88 17.340 14.904 34.409 0.50 9.78 H new ATOM 0 HG ASER A 88 18.239 14.618 34.716 0.50 19.64 H new ATOM 0 HG BSER A 88 16.718 12.890 33.466 0.50 19.64 H new ATOM 553 N ILE A 89 13.876 16.004 32.384 1.00 4.75 N ATOM 554 CA ILE A 89 12.679 15.754 31.621 1.00 4.80 C ATOM 555 C ILE A 89 13.087 15.565 30.186 1.00 6.88 C ATOM 556 O ILE A 89 13.456 16.525 29.506 1.00 6.70 O ATOM 557 CB ILE A 89 11.665 16.902 31.781 1.00 7.20 C ATOM 558 CG1 ILE A 89 11.229 17.072 33.265 1.00 7.36 C ATOM 559 CG2 ILE A 89 10.442 16.656 30.858 1.00 6.76 C ATOM 560 CD1 ILE A 89 10.607 18.367 33.523 1.00 7.15 C ATOM 0 H ILE A 89 14.372 16.633 32.072 1.00 4.75 H new ATOM 0 HA ILE A 89 12.233 14.956 31.944 1.00 4.80 H new ATOM 0 HB ILE A 89 12.093 17.731 31.515 1.00 7.20 H new ATOM 0 HG12 ILE A 89 10.606 16.366 33.498 1.00 7.36 H new ATOM 0 HG13 ILE A 89 12.003 16.969 33.840 1.00 7.36 H new ATOM 0 HG21 ILE A 89 9.807 17.381 30.962 1.00 6.76 H new ATOM 0 HG22 ILE A 89 10.736 16.615 29.935 1.00 6.76 H new ATOM 0 HG23 ILE A 89 10.018 15.818 31.099 1.00 6.76 H new ATOM 0 HD11 ILE A 89 10.354 18.424 34.458 1.00 7.15 H new ATOM 0 HD12 ILE A 89 11.236 19.076 33.315 1.00 7.15 H new ATOM 0 HD13 ILE A 89 9.817 18.463 32.968 1.00 7.15 H new ATOM 561 N VAL A 90 13.096 14.311 29.739 1.00 4.63 N ATOM 562 CA VAL A 90 13.395 14.010 28.344 1.00 3.83 C ATOM 563 C VAL A 90 12.129 14.309 27.542 1.00 5.82 C ATOM 564 O VAL A 90 11.022 14.041 28.018 1.00 4.96 O ATOM 565 CB VAL A 90 13.819 12.536 28.221 1.00 5.77 C ATOM 566 CG1 VAL A 90 13.799 12.047 26.779 1.00 5.27 C ATOM 567 CG2 VAL A 90 15.210 12.337 28.826 1.00 6.53 C ATOM 0 H VAL A 90 12.932 13.622 30.227 1.00 4.63 H new ATOM 0 HA VAL A 90 14.128 14.547 28.004 1.00 3.83 H new ATOM 0 HB VAL A 90 13.172 12.007 28.713 1.00 5.77 H new ATOM 0 HG11 VAL A 90 14.072 11.117 26.749 1.00 5.27 H new ATOM 0 HG12 VAL A 90 12.902 12.132 26.421 1.00 5.27 H new ATOM 0 HG13 VAL A 90 14.411 12.580 26.248 1.00 5.27 H new ATOM 0 HG21 VAL A 90 15.469 11.406 28.744 1.00 6.53 H new ATOM 0 HG22 VAL A 90 15.850 12.893 28.355 1.00 6.53 H new ATOM 0 HG23 VAL A 90 15.194 12.586 29.763 1.00 6.53 H new ATOM 568 N HIS A 91 12.284 14.846 26.312 1.00 3.84 N ATOM 569 CA HIS A 91 11.119 15.137 25.478 1.00 3.48 C ATOM 570 C HIS A 91 10.237 13.903 25.385 1.00 6.34 C ATOM 571 O HIS A 91 10.749 12.811 25.167 1.00 4.64 O ATOM 572 CB HIS A 91 11.548 15.587 24.084 1.00 3.01 C ATOM 573 CG HIS A 91 10.421 16.204 23.337 1.00 6.04 C ATOM 574 ND1 HIS A 91 9.441 15.419 22.729 1.00 7.94 N ATOM 575 CD2 HIS A 91 10.042 17.502 23.276 1.00 7.81 C ATOM 576 CE1 HIS A 91 8.544 16.277 22.258 1.00 7.80 C ATOM 577 NE2 HIS A 91 8.867 17.536 22.567 1.00 8.29 N ATOM 0 H HIS A 91 13.043 15.042 25.957 1.00 3.84 H new ATOM 0 HA HIS A 91 10.617 15.860 25.886 1.00 3.48 H new ATOM 0 HB2 HIS A 91 12.275 16.225 24.159 1.00 3.01 H new ATOM 0 HB3 HIS A 91 11.888 14.826 23.588 1.00 3.01 H new ATOM 0 HD2 HIS A 91 10.490 18.229 23.643 1.00 7.81 H new ATOM 0 HE1 HIS A 91 7.788 16.033 21.775 1.00 7.80 H new ATOM 0 HE2 HIS A 91 8.420 18.240 22.359 1.00 8.29 H new ATOM 578 N PRO A 92 8.911 14.039 25.524 1.00 5.34 N ATOM 579 CA PRO A 92 8.081 12.842 25.517 1.00 4.79 C ATOM 580 C PRO A 92 8.173 12.041 24.223 1.00 7.42 C ATOM 581 O PRO A 92 7.907 10.842 24.234 1.00 7.07 O ATOM 582 CB PRO A 92 6.659 13.384 25.707 1.00 7.10 C ATOM 583 CG PRO A 92 6.723 14.832 25.376 1.00 11.42 C ATOM 584 CD PRO A 92 8.118 15.248 25.815 1.00 7.27 C ATOM 0 HA PRO A 92 8.365 12.221 26.206 1.00 4.79 H new ATOM 0 HB2 PRO A 92 6.032 12.923 25.128 1.00 7.10 H new ATOM 0 HB3 PRO A 92 6.355 13.250 26.618 1.00 7.10 H new ATOM 0 HG2 PRO A 92 6.588 14.986 24.428 1.00 11.42 H new ATOM 0 HG3 PRO A 92 6.038 15.334 25.845 1.00 11.42 H new ATOM 0 HD2 PRO A 92 8.438 16.019 25.321 1.00 7.27 H new ATOM 0 HD3 PRO A 92 8.147 15.482 26.756 1.00 7.27 H new ATOM 585 N SER A 93 8.572 12.698 23.134 1.00 5.21 N ATOM 586 CA SER A 93 8.638 12.024 21.832 1.00 5.07 C ATOM 587 C SER A 93 10.057 11.658 21.386 1.00 7.40 C ATOM 588 O SER A 93 10.253 11.213 20.250 1.00 6.08 O ATOM 589 CB SER A 93 7.932 12.872 20.768 1.00 7.87 C ATOM 590 OG SER A 93 6.563 13.049 21.107 1.00 12.96 O ATOM 0 H SER A 93 8.807 13.525 23.125 1.00 5.21 H new ATOM 0 HA SER A 93 8.177 11.177 21.939 1.00 5.07 H new ATOM 0 HB2 SER A 93 8.367 13.736 20.693 1.00 7.87 H new ATOM 0 HB3 SER A 93 8.004 12.441 19.902 1.00 7.87 H new ATOM 0 HG SER A 93 6.427 13.851 21.315 1.00 12.96 H new ATOM 591 N TYR A 94 11.025 11.766 22.295 1.00 3.13 N ATOM 592 CA TYR A 94 12.384 11.397 21.929 1.00 3.00 C ATOM 593 C TYR A 94 12.414 9.932 21.530 1.00 5.36 C ATOM 594 O TYR A 94 11.961 9.073 22.278 1.00 4.37 O ATOM 595 CB TYR A 94 13.320 11.642 23.103 1.00 3.58 C ATOM 596 CG TYR A 94 14.687 11.057 22.876 1.00 3.82 C ATOM 597 CD1 TYR A 94 15.481 11.492 21.815 1.00 5.02 C ATOM 598 CD2 TYR A 94 15.233 10.140 23.776 1.00 3.25 C ATOM 599 CE1 TYR A 94 16.760 11.008 21.628 1.00 3.30 C ATOM 600 CE2 TYR A 94 16.529 9.659 23.608 1.00 3.14 C ATOM 601 CZ TYR A 94 17.281 10.094 22.526 1.00 5.87 C ATOM 602 OH TYR A 94 18.539 9.624 22.317 1.00 6.18 O ATOM 0 H TYR A 94 10.919 12.042 23.103 1.00 3.13 H new ATOM 0 HA TYR A 94 12.678 11.939 21.180 1.00 3.00 H new ATOM 0 HB2 TYR A 94 13.400 12.596 23.256 1.00 3.58 H new ATOM 0 HB3 TYR A 94 12.935 11.257 23.906 1.00 3.58 H new ATOM 0 HD1 TYR A 94 15.141 12.122 21.221 1.00 5.02 H new ATOM 0 HD2 TYR A 94 14.725 9.846 24.497 1.00 3.25 H new ATOM 0 HE1 TYR A 94 17.268 11.294 20.903 1.00 3.30 H new ATOM 0 HE2 TYR A 94 16.887 9.052 24.215 1.00 3.14 H new ATOM 0 HH TYR A 94 18.805 9.219 23.003 1.00 6.18 H new ATOM 603 N ASN A 95 13.027 9.667 20.382 1.00 3.46 N ATOM 604 CA ASN A 95 13.267 8.324 19.854 1.00 3.43 C ATOM 605 C ASN A 95 14.781 8.214 19.783 1.00 6.34 C ATOM 606 O ASN A 95 15.418 8.907 18.973 1.00 6.68 O ATOM 607 CB ASN A 95 12.646 8.171 18.474 1.00 5.26 C ATOM 608 CG ASN A 95 12.839 6.791 17.914 1.00 11.23 C ATOM 609 OD1 ASN A 95 13.974 6.358 17.689 1.00 9.40 O ATOM 610 ND2 ASN A 95 11.736 6.101 17.608 1.00 8.90 N ATOM 0 H ASN A 95 13.327 10.287 19.867 1.00 3.46 H new ATOM 0 HA ASN A 95 12.873 7.631 20.406 1.00 3.43 H new ATOM 0 HB2 ASN A 95 11.698 8.368 18.524 1.00 5.26 H new ATOM 0 HB3 ASN A 95 13.039 8.821 17.871 1.00 5.26 H new ATOM 0 HD21 ASN A 95 11.802 5.326 17.241 1.00 8.90 H new ATOM 0 HD22 ASN A 95 10.961 6.432 17.778 1.00 8.90 H new ATOM 611 N SER A 96 15.364 7.325 20.614 1.00 3.93 N ATOM 612 CA SER A 96 16.827 7.193 20.646 1.00 4.90 C ATOM 613 C SER A 96 17.397 6.479 19.412 1.00 9.05 C ATOM 614 O SER A 96 18.614 6.561 19.178 1.00 9.40 O ATOM 615 CB SER A 96 17.255 6.441 21.898 1.00 7.67 C ATOM 616 OG SER A 96 16.543 5.217 21.979 1.00 10.24 O ATOM 0 H SER A 96 14.939 6.805 21.151 1.00 3.93 H new ATOM 0 HA SER A 96 17.183 8.095 20.649 1.00 4.90 H new ATOM 0 HB2 SER A 96 18.210 6.270 21.874 1.00 7.67 H new ATOM 0 HB3 SER A 96 17.082 6.980 22.686 1.00 7.67 H new ATOM 0 HG SER A 96 17.026 4.592 21.692 1.00 10.24 H new ATOM 617 N ASN A 97 16.556 5.765 18.643 1.00 6.89 N ATOM 618 CA ASN A 97 17.067 5.085 17.449 1.00 7.03 C ATOM 619 C ASN A 97 17.283 6.049 16.296 1.00 12.03 C ATOM 620 O ASN A 97 18.245 5.896 15.547 1.00 13.91 O ATOM 621 CB ASN A 97 16.118 3.981 17.025 1.00 6.53 C ATOM 622 CG ASN A 97 16.100 2.878 18.040 1.00 10.32 C ATOM 623 OD1 ASN A 97 17.142 2.507 18.605 1.00 7.94 O ATOM 624 ND2 ASN A 97 14.928 2.284 18.229 1.00 8.00 N ATOM 0 H ASN A 97 15.715 5.666 18.792 1.00 6.89 H new ATOM 0 HA ASN A 97 17.927 4.702 17.681 1.00 7.03 H new ATOM 0 HB2 ASN A 97 15.224 4.341 16.916 1.00 6.53 H new ATOM 0 HB3 ASN A 97 16.389 3.629 16.163 1.00 6.53 H new ATOM 0 HD21 ASN A 97 14.868 1.612 18.762 1.00 8.00 H new ATOM 0 HD22 ASN A 97 14.229 2.571 17.819 1.00 8.00 H new ATOM 625 N THR A 98 16.384 7.037 16.147 1.00 7.18 N ATOM 626 CA THR A 98 16.440 8.018 15.054 1.00 6.26 C ATOM 627 C THR A 98 16.995 9.360 15.509 1.00 8.32 C ATOM 628 O THR A 98 17.277 10.225 14.677 1.00 8.80 O ATOM 629 CB THR A 98 15.042 8.229 14.515 1.00 7.69 C ATOM 630 OG1 THR A 98 14.218 8.750 15.578 1.00 7.66 O ATOM 631 CG2 THR A 98 14.467 6.955 13.951 1.00 7.80 C ATOM 0 H THR A 98 15.722 7.155 16.683 1.00 7.18 H new ATOM 0 HA THR A 98 17.033 7.666 14.372 1.00 6.26 H new ATOM 0 HB THR A 98 15.071 8.864 13.782 1.00 7.69 H new ATOM 0 HG1 THR A 98 13.408 8.671 15.370 1.00 7.66 H new ATOM 0 HG21 THR A 98 13.573 7.124 13.615 1.00 7.80 H new ATOM 0 HG22 THR A 98 15.030 6.639 13.227 1.00 7.80 H new ATOM 0 HG23 THR A 98 14.428 6.281 14.648 1.00 7.80 H new ATOM 632 N LEU A 99 17.040 9.570 16.841 1.00 5.37 N ATOM 633 CA LEU A 99 17.416 10.814 17.523 1.00 7.58 C ATOM 634 C LEU A 99 16.441 11.950 17.221 1.00 8.38 C ATOM 635 O LEU A 99 16.738 13.125 17.461 1.00 6.46 O ATOM 636 CB LEU A 99 18.879 11.236 17.316 1.00 9.27 C ATOM 637 CG LEU A 99 19.913 10.210 17.793 1.00 14.85 C ATOM 638 CD1 LEU A 99 21.255 10.767 17.681 1.00 15.70 C ATOM 639 CD2 LEU A 99 19.698 9.841 19.264 1.00 17.76 C ATOM 0 H LEU A 99 16.838 8.947 17.398 1.00 5.37 H new ATOM 0 HA LEU A 99 17.348 10.611 18.469 1.00 7.58 H new ATOM 0 HB2 LEU A 99 19.023 11.408 16.372 1.00 9.27 H new ATOM 0 HB3 LEU A 99 19.031 12.072 17.783 1.00 9.27 H new ATOM 0 HG LEU A 99 19.810 9.422 17.237 1.00 14.85 H new ATOM 0 HD11 LEU A 99 21.904 10.113 17.984 1.00 15.70 H new ATOM 0 HD12 LEU A 99 21.435 10.995 16.755 1.00 15.70 H new ATOM 0 HD13 LEU A 99 21.321 11.565 18.229 1.00 15.70 H new ATOM 0 HD21 LEU A 99 20.366 9.192 19.536 1.00 17.76 H new ATOM 0 HD22 LEU A 99 19.779 10.637 19.813 1.00 17.76 H new ATOM 0 HD23 LEU A 99 18.813 9.460 19.376 1.00 17.76 H new ATOM 640 N ASN A 100 15.222 11.586 16.786 1.00 5.73 N ATOM 641 CA ASN A 100 14.163 12.573 16.612 1.00 4.52 C ATOM 642 C ASN A 100 13.719 13.086 17.997 1.00 7.33 C ATOM 643 O ASN A 100 13.563 12.300 18.934 1.00 4.80 O ATOM 644 CB ASN A 100 12.977 11.979 15.884 1.00 4.56 C ATOM 645 CG ASN A 100 12.070 13.070 15.307 1.00 8.68 C ATOM 646 OD1 ASN A 100 12.494 14.194 14.995 1.00 6.70 O ATOM 647 ND2 ASN A 100 10.815 12.717 15.068 1.00 4.29 N ATOM 0 H ASN A 100 14.998 10.779 16.590 1.00 5.73 H new ATOM 0 HA ASN A 100 14.507 13.306 16.078 1.00 4.52 H new ATOM 0 HB2 ASN A 100 13.290 11.404 15.168 1.00 4.56 H new ATOM 0 HB3 ASN A 100 12.468 11.422 16.493 1.00 4.56 H new ATOM 0 HD21 ASN A 100 10.277 13.271 14.690 1.00 4.29 H new ATOM 0 HD22 ASN A 100 10.539 11.934 15.291 1.00 4.29 H new ATOM 648 N ASN A 101 13.596 14.417 18.120 1.00 4.93 N ATOM 649 CA ASN A 101 13.195 15.122 19.358 1.00 3.95 C ATOM 650 C ASN A 101 14.283 14.941 20.397 1.00 6.83 C ATOM 651 O ASN A 101 14.021 14.606 21.560 1.00 5.37 O ATOM 652 CB ASN A 101 11.839 14.624 19.889 1.00 5.81 C ATOM 653 CG ASN A 101 10.754 14.639 18.836 1.00 8.17 C ATOM 654 OD1 ASN A 101 10.414 15.814 18.403 1.00 8.30 O flip ATOM 655 ND2 ASN A 101 10.293 13.594 18.333 1.00 3.45 N flip ATOM 0 H ASN A 101 13.748 14.954 17.465 1.00 4.93 H new ATOM 0 HA ASN A 101 13.084 16.065 19.159 1.00 3.95 H new ATOM 0 HB2 ASN A 101 11.942 13.721 20.228 1.00 5.81 H new ATOM 0 HB3 ASN A 101 11.566 15.179 20.636 1.00 5.81 H new ATOM 0 HD21 ASN A 101 10.534 12.827 18.638 1.00 3.45 H new ATOM 0 HD22 ASN A 101 9.734 13.641 17.681 1.00 3.45 H new ATOM 656 N ASP A 102 15.519 15.116 19.948 1.00 5.50 N ATOM 657 CA ASP A 102 16.667 14.931 20.824 1.00 4.55 C ATOM 658 C ASP A 102 16.868 16.132 21.718 1.00 6.49 C ATOM 659 O ASP A 102 17.747 16.954 21.494 1.00 3.55 O ATOM 660 CB ASP A 102 17.908 14.582 20.031 1.00 6.58 C ATOM 661 CG ASP A 102 19.076 14.147 20.897 1.00 5.74 C ATOM 662 OD1 ASP A 102 18.855 13.862 22.122 1.00 4.86 O ATOM 663 OD2 ASP A 102 20.202 14.054 20.362 1.00 6.90 O ATOM 0 H ASP A 102 15.714 15.341 19.141 1.00 5.50 H new ATOM 0 HA ASP A 102 16.488 14.176 21.407 1.00 4.55 H new ATOM 0 HB2 ASP A 102 17.695 13.871 19.407 1.00 6.58 H new ATOM 0 HB3 ASP A 102 18.174 15.352 19.504 1.00 6.58 H new ATOM 664 N ILE A 103 16.015 16.250 22.711 1.00 3.11 N ATOM 665 CA ILE A 103 16.021 17.386 23.618 1.00 3.00 C ATOM 666 C ILE A 103 15.557 16.978 24.998 1.00 6.70 C ATOM 667 O ILE A 103 14.678 16.108 25.161 1.00 5.51 O ATOM 668 CB ILE A 103 15.182 18.560 23.026 1.00 4.70 C ATOM 669 CG1 ILE A 103 15.350 19.856 23.829 1.00 3.25 C ATOM 670 CG2 ILE A 103 13.682 18.193 22.836 1.00 7.15 C ATOM 671 CD1 ILE A 103 14.794 21.119 23.106 1.00 11.20 C ATOM 0 H ILE A 103 15.406 15.668 22.884 1.00 3.11 H new ATOM 0 HA ILE A 103 16.931 17.706 23.715 1.00 3.00 H new ATOM 0 HB ILE A 103 15.541 18.723 22.140 1.00 4.70 H new ATOM 0 HG12 ILE A 103 14.901 19.758 24.683 1.00 3.25 H new ATOM 0 HG13 ILE A 103 16.292 19.990 24.018 1.00 3.25 H new ATOM 0 HG21 ILE A 103 13.207 18.954 22.467 1.00 7.15 H new ATOM 0 HG22 ILE A 103 13.607 17.440 22.229 1.00 7.15 H new ATOM 0 HG23 ILE A 103 13.296 17.956 23.694 1.00 7.15 H new ATOM 0 HD11 ILE A 103 14.932 21.899 23.666 1.00 11.20 H new ATOM 0 HD12 ILE A 103 15.258 21.240 22.263 1.00 11.20 H new ATOM 0 HD13 ILE A 103 13.845 21.005 22.939 1.00 11.20 H new ATOM 672 N MET A 104 16.180 17.611 25.986 1.00 3.27 N ATOM 673 CA AMET A 104 15.814 17.371 27.367 0.50 3.42 C ATOM 674 CA BMET A 104 15.891 17.336 27.380 0.50 3.00 C ATOM 675 C MET A 104 16.040 18.585 28.231 1.00 6.49 C ATOM 676 O MET A 104 16.951 19.371 27.991 1.00 6.52 O ATOM 677 CB AMET A 104 16.540 16.145 27.939 0.50 5.34 C ATOM 678 CB BMET A 104 16.869 16.254 27.858 0.50 3.42 C ATOM 679 CG AMET A 104 17.968 16.420 28.375 0.50 7.76 C ATOM 680 CG BMET A 104 16.796 15.931 29.332 0.50 3.73 C ATOM 681 SD AMET A 104 18.824 15.079 29.210 0.50 10.10 S ATOM 682 SD BMET A 104 17.985 14.675 29.836 0.50 4.47 S ATOM 683 CE AMET A 104 17.818 14.852 30.562 0.50 6.91 C ATOM 684 CE BMET A 104 19.504 15.547 29.582 0.50 3.00 C ATOM 0 H AMET A 104 16.815 18.181 25.874 0.50 3.27 H new ATOM 0 H BMET A 104 16.782 18.212 25.863 0.50 3.27 H new ATOM 0 HA AMET A 104 14.862 17.183 27.375 0.50 3.00 H new ATOM 0 HA BMET A 104 14.973 17.034 27.468 0.50 3.00 H new ATOM 0 HB2AMET A 104 16.039 15.809 28.699 0.50 3.42 H new ATOM 0 HB2BMET A 104 16.703 15.442 27.354 0.50 3.42 H new ATOM 0 HB3AMET A 104 16.546 15.443 27.270 0.50 3.42 H new ATOM 0 HB3BMET A 104 17.772 16.538 27.648 0.50 3.42 H new ATOM 0 HG2AMET A 104 18.483 16.667 27.591 0.50 3.73 H new ATOM 0 HG2BMET A 104 16.951 16.740 29.844 0.50 3.73 H new ATOM 0 HG3AMET A 104 17.962 17.190 28.965 0.50 3.73 H new ATOM 0 HG3BMET A 104 15.901 15.627 29.548 0.50 3.73 H new ATOM 0 HE1AMET A 104 18.319 14.414 31.268 0.50 3.00 H new ATOM 0 HE1BMET A 104 20.123 15.333 30.297 0.50 3.00 H new ATOM 0 HE2AMET A 104 17.500 15.713 30.877 0.50 3.00 H new ATOM 0 HE2BMET A 104 19.890 15.284 28.732 0.50 3.00 H new ATOM 0 HE3AMET A 104 17.061 14.300 30.313 0.50 3.00 H new ATOM 0 HE3BMET A 104 19.332 16.502 29.578 0.50 3.00 H new ATOM 685 N LEU A 105 15.217 18.698 29.265 1.00 4.28 N ATOM 686 CA LEU A 105 15.327 19.785 30.205 1.00 3.26 C ATOM 687 C LEU A 105 15.849 19.254 31.508 1.00 5.81 C ATOM 688 O LEU A 105 15.486 18.161 31.915 1.00 4.66 O ATOM 689 CB LEU A 105 13.975 20.453 30.410 1.00 3.00 C ATOM 690 CG LEU A 105 13.595 21.418 29.278 1.00 6.30 C ATOM 691 CD1 LEU A 105 12.091 21.679 29.267 1.00 6.00 C ATOM 692 CD2 LEU A 105 14.329 22.737 29.421 1.00 7.52 C ATOM 0 H LEU A 105 14.582 18.144 29.436 1.00 4.28 H new ATOM 0 HA LEU A 105 15.941 20.450 29.856 1.00 3.26 H new ATOM 0 HB2 LEU A 105 13.292 19.769 30.486 1.00 3.00 H new ATOM 0 HB3 LEU A 105 13.985 20.938 31.250 1.00 3.00 H new ATOM 0 HG LEU A 105 13.852 21.000 28.442 1.00 6.30 H new ATOM 0 HD11 LEU A 105 11.874 22.290 28.546 1.00 6.00 H new ATOM 0 HD12 LEU A 105 11.618 20.842 29.135 1.00 6.00 H new ATOM 0 HD13 LEU A 105 11.824 22.071 30.113 1.00 6.00 H new ATOM 0 HD21 LEU A 105 14.074 23.330 28.697 1.00 7.52 H new ATOM 0 HD22 LEU A 105 14.098 23.146 30.270 1.00 7.52 H new ATOM 0 HD23 LEU A 105 15.286 22.580 29.388 1.00 7.52 H new ATOM 693 N ILE A 106 16.703 20.022 32.165 1.00 3.44 N ATOM 694 CA ILE A 106 17.270 19.630 33.451 1.00 3.00 C ATOM 695 C ILE A 106 17.024 20.767 34.425 1.00 7.99 C ATOM 696 O ILE A 106 17.433 21.907 34.165 1.00 8.44 O ATOM 697 CB ILE A 106 18.796 19.351 33.359 1.00 5.95 C ATOM 698 CG1 ILE A 106 19.080 18.167 32.415 1.00 6.30 C ATOM 699 CG2 ILE A 106 19.393 19.085 34.759 1.00 9.24 C ATOM 700 CD1 ILE A 106 20.559 18.099 32.046 1.00 10.24 C ATOM 0 H ILE A 106 16.973 20.787 31.880 1.00 3.44 H new ATOM 0 HA ILE A 106 16.847 18.808 33.744 1.00 3.00 H new ATOM 0 HB ILE A 106 19.223 20.141 32.993 1.00 5.95 H new ATOM 0 HG12 ILE A 106 18.812 17.338 32.842 1.00 6.30 H new ATOM 0 HG13 ILE A 106 18.547 18.257 31.610 1.00 6.30 H new ATOM 0 HG21 ILE A 106 20.344 18.914 34.678 1.00 9.24 H new ATOM 0 HG22 ILE A 106 19.252 19.861 35.324 1.00 9.24 H new ATOM 0 HG23 ILE A 106 18.958 18.313 35.155 1.00 9.24 H new ATOM 0 HD11 ILE A 106 20.710 17.347 31.453 1.00 10.24 H new ATOM 0 HD12 ILE A 106 20.819 18.920 31.600 1.00 10.24 H new ATOM 0 HD13 ILE A 106 21.089 17.987 32.851 1.00 10.24 H new ATOM 701 N LYS A 107 16.362 20.464 35.537 1.00 8.37 N ATOM 702 CA LYS A 107 16.130 21.465 36.571 1.00 6.06 C ATOM 703 C LYS A 107 17.272 21.393 37.594 1.00 9.99 C ATOM 704 O LYS A 107 17.661 20.308 38.033 1.00 8.70 O ATOM 705 CB LYS A 107 14.780 21.253 37.278 1.00 8.21 C ATOM 706 CG LYS A 107 14.366 22.500 38.076 1.00 4.88 C ATOM 707 CD LYS A 107 13.032 22.301 38.744 1.00 10.54 C ATOM 708 CE LYS A 107 12.681 23.585 39.467 1.00 9.29 C ATOM 709 NZ LYS A 107 11.397 23.459 40.233 1.00 8.70 N ATOM 0 H LYS A 107 16.040 19.686 35.712 1.00 8.37 H new ATOM 0 HA LYS A 107 16.104 22.340 36.153 1.00 6.06 H new ATOM 0 HB2 LYS A 107 14.097 21.046 36.621 1.00 8.21 H new ATOM 0 HB3 LYS A 107 14.841 20.490 37.874 1.00 8.21 H new ATOM 0 HG2 LYS A 107 15.040 22.697 38.746 1.00 4.88 H new ATOM 0 HG3 LYS A 107 14.323 23.267 37.483 1.00 4.88 H new ATOM 0 HD2 LYS A 107 12.352 22.084 38.087 1.00 10.54 H new ATOM 0 HD3 LYS A 107 13.071 21.559 39.368 1.00 10.54 H new ATOM 0 HE2 LYS A 107 13.399 23.821 40.075 1.00 9.29 H new ATOM 0 HE3 LYS A 107 12.605 24.308 38.825 1.00 9.29 H new ATOM 0 HZ1 LYS A 107 11.092 24.270 40.437 1.00 8.70 H new ATOM 0 HZ2 LYS A 107 10.795 23.032 39.736 1.00 8.70 H new ATOM 0 HZ3 LYS A 107 11.542 23.000 40.982 1.00 8.70 H new ATOM 710 N LEU A 108 17.763 22.552 37.999 1.00 6.56 N ATOM 711 CA LEU A 108 18.818 22.672 38.999 1.00 7.09 C ATOM 712 C LEU A 108 18.232 22.612 40.412 1.00 9.60 C ATOM 713 O LEU A 108 17.141 23.128 40.645 1.00 8.37 O ATOM 714 CB LEU A 108 19.585 24.002 38.804 1.00 6.83 C ATOM 715 CG LEU A 108 20.225 24.220 37.449 1.00 9.15 C ATOM 716 CD1 LEU A 108 21.104 25.450 37.444 1.00 9.64 C ATOM 717 CD2 LEU A 108 21.009 23.013 37.033 1.00 11.59 C ATOM 0 H LEU A 108 17.489 23.309 37.696 1.00 6.56 H new ATOM 0 HA LEU A 108 19.432 21.930 38.887 1.00 7.09 H new ATOM 0 HB2 LEU A 108 18.971 24.734 38.971 1.00 6.83 H new ATOM 0 HB3 LEU A 108 20.279 24.054 39.480 1.00 6.83 H new ATOM 0 HG LEU A 108 19.512 24.362 36.807 1.00 9.15 H new ATOM 0 HD11 LEU A 108 21.499 25.562 36.565 1.00 9.64 H new ATOM 0 HD12 LEU A 108 20.570 26.230 37.661 1.00 9.64 H new ATOM 0 HD13 LEU A 108 21.808 25.347 38.103 1.00 9.64 H new ATOM 0 HD21 LEU A 108 21.411 23.171 36.164 1.00 11.59 H new ATOM 0 HD22 LEU A 108 21.706 22.840 37.684 1.00 11.59 H new ATOM 0 HD23 LEU A 108 20.418 22.245 36.980 1.00 11.59 H new ATOM 718 N LYS A 109 18.940 21.970 41.360 1.00 8.83 N ATOM 719 CA LYS A 109 18.471 21.869 42.758 1.00 10.55 C ATOM 720 C LYS A 109 18.367 23.242 43.411 1.00 13.35 C ATOM 721 O LYS A 109 17.522 23.461 44.280 1.00 12.47 O ATOM 722 CB LYS A 109 19.378 20.967 43.602 1.00 13.56 C ATOM 723 CG LYS A 109 19.041 19.502 43.500 1.00 34.95 C ATOM 724 CD LYS A 109 19.860 18.650 44.458 1.00 46.87 C ATOM 725 CE LYS A 109 19.519 17.183 44.312 1.00 54.79 C ATOM 726 NZ LYS A 109 20.471 16.319 45.060 1.00 64.96 N ATOM 0 H LYS A 109 19.695 21.586 41.213 1.00 8.83 H new ATOM 0 HA LYS A 109 17.588 21.469 42.723 1.00 10.55 H new ATOM 0 HB2 LYS A 109 20.299 21.099 43.326 1.00 13.56 H new ATOM 0 HB3 LYS A 109 19.318 21.240 44.531 1.00 13.56 H new ATOM 0 HG2 LYS A 109 18.097 19.376 43.685 1.00 34.95 H new ATOM 0 HG3 LYS A 109 19.194 19.200 42.591 1.00 34.95 H new ATOM 0 HD2 LYS A 109 20.805 18.784 44.287 1.00 46.87 H new ATOM 0 HD3 LYS A 109 19.694 18.934 45.370 1.00 46.87 H new ATOM 0 HE2 LYS A 109 18.618 17.027 44.635 1.00 54.79 H new ATOM 0 HE3 LYS A 109 19.530 16.940 43.373 1.00 54.79 H new ATOM 0 HZ1 LYS A 109 20.243 15.465 44.954 1.00 64.96 H new ATOM 0 HZ2 LYS A 109 21.295 16.447 44.749 1.00 64.96 H new ATOM 0 HZ3 LYS A 109 20.445 16.527 45.925 1.00 64.96 H new ATOM 727 N SER A 110 19.255 24.154 43.013 1.00 9.00 N ATOM 728 CA SER A 110 19.218 25.533 43.476 1.00 8.21 C ATOM 729 C SER A 110 19.423 26.430 42.264 1.00 11.63 C ATOM 730 O SER A 110 20.000 25.994 41.278 1.00 10.74 O ATOM 731 CB SER A 110 20.284 25.783 44.541 1.00 10.89 C ATOM 732 OG SER A 110 21.597 25.529 44.062 1.00 17.24 O ATOM 0 H SER A 110 19.896 23.986 42.465 1.00 9.00 H new ATOM 0 HA SER A 110 18.363 25.727 43.892 1.00 8.21 H new ATOM 0 HB2 SER A 110 20.225 26.702 44.844 1.00 10.89 H new ATOM 0 HB3 SER A 110 20.108 25.219 45.310 1.00 10.89 H new ATOM 0 HG SER A 110 21.891 24.824 44.411 1.00 17.24 H new ATOM 733 N ALA A 111 18.966 27.689 42.319 1.00 9.21 N ATOM 734 CA ALA A 111 19.125 28.581 41.187 1.00 9.75 C ATOM 735 C ALA A 111 20.557 29.041 41.061 1.00 13.33 C ATOM 736 O ALA A 111 21.209 29.368 42.060 1.00 10.69 O ATOM 737 CB ALA A 111 18.205 29.789 41.321 1.00 10.83 C ATOM 0 H ALA A 111 18.567 28.033 42.999 1.00 9.21 H new ATOM 0 HA ALA A 111 18.885 28.089 40.386 1.00 9.75 H new ATOM 0 HB1 ALA A 111 18.325 30.374 40.556 1.00 10.83 H new ATOM 0 HB2 ALA A 111 17.283 29.491 41.358 1.00 10.83 H new ATOM 0 HB3 ALA A 111 18.421 30.272 42.134 1.00 10.83 H new ATOM 738 N ALA A 112 21.053 29.079 39.832 1.00 9.15 N ATOM 739 CA ALA A 112 22.385 29.582 39.544 1.00 8.92 C ATOM 740 C ALA A 112 22.411 31.071 39.833 1.00 11.14 C ATOM 741 O ALA A 112 21.400 31.752 39.640 1.00 11.66 O ATOM 742 CB ALA A 112 22.708 29.375 38.075 1.00 9.38 C ATOM 0 H ALA A 112 20.622 28.811 39.137 1.00 9.15 H new ATOM 0 HA ALA A 112 23.034 29.111 40.090 1.00 8.92 H new ATOM 0 HB1 ALA A 112 23.598 29.713 37.888 1.00 9.38 H new ATOM 0 HB2 ALA A 112 22.671 28.429 37.866 1.00 9.38 H new ATOM 0 HB3 ALA A 112 22.061 29.851 37.531 1.00 9.38 H new ATOM 743 N SER A 113 23.562 31.574 40.274 1.00 8.45 N ATOM 744 CA ASER A 113 23.733 33.002 40.509 0.50 8.53 C ATOM 745 CA BSER A 113 23.717 33.005 40.498 0.50 8.59 C ATOM 746 C SER A 113 24.148 33.575 39.161 1.00 12.70 C ATOM 747 O SER A 113 25.204 33.204 38.630 1.00 10.57 O ATOM 748 CB ASER A 113 24.816 33.248 41.555 0.50 11.00 C ATOM 749 CB BSER A 113 24.753 33.273 41.583 0.50 11.36 C ATOM 750 OG ASER A 113 24.998 34.641 41.731 0.50 15.71 O ATOM 751 OG BSER A 113 24.212 32.886 42.834 0.50 16.89 O ATOM 0 H ASER A 113 24.259 31.100 40.444 0.50 8.45 H new ATOM 0 H BSER A 113 24.261 31.105 40.448 0.50 8.45 H new ATOM 0 HA ASER A 113 22.923 33.416 40.847 0.50 8.59 H new ATOM 0 HA BSER A 113 22.896 33.417 40.808 0.50 8.59 H new ATOM 0 HB2ASER A 113 24.565 32.836 42.397 0.50 11.36 H new ATOM 0 HB2BSER A 113 25.567 32.777 41.401 0.50 11.36 H new ATOM 0 HB3ASER A 113 25.649 32.836 41.275 0.50 11.36 H new ATOM 0 HB3BSER A 113 24.991 34.213 41.596 0.50 11.36 H new ATOM 0 HG ASER A 113 25.758 34.862 41.449 0.50 16.89 H new ATOM 0 HG BSER A 113 24.776 33.028 43.440 0.50 16.89 H new ATOM 752 N LEU A 114 23.295 34.421 38.562 1.00 10.04 N ATOM 753 CA LEU A 114 23.605 34.964 37.250 1.00 10.99 C ATOM 754 C LEU A 114 24.460 36.198 37.319 1.00 17.17 C ATOM 755 O LEU A 114 24.199 37.086 38.127 1.00 17.00 O ATOM 756 CB LEU A 114 22.354 35.195 36.404 1.00 11.07 C ATOM 757 CG LEU A 114 21.425 33.998 36.241 1.00 14.62 C ATOM 758 CD1 LEU A 114 20.260 34.343 35.364 1.00 15.43 C ATOM 759 CD2 LEU A 114 22.166 32.786 35.677 1.00 15.75 C ATOM 0 H LEU A 114 22.548 34.683 38.898 1.00 10.04 H new ATOM 0 HA LEU A 114 24.131 34.284 36.801 1.00 10.99 H new ATOM 0 HB2 LEU A 114 21.848 35.922 36.799 1.00 11.07 H new ATOM 0 HB3 LEU A 114 22.632 35.488 35.522 1.00 11.07 H new ATOM 0 HG LEU A 114 21.095 33.766 37.123 1.00 14.62 H new ATOM 0 HD11 LEU A 114 19.682 33.569 35.274 1.00 15.43 H new ATOM 0 HD12 LEU A 114 19.761 35.074 35.761 1.00 15.43 H new ATOM 0 HD13 LEU A 114 20.582 34.610 34.489 1.00 15.43 H new ATOM 0 HD21 LEU A 114 21.549 32.043 35.585 1.00 15.75 H new ATOM 0 HD22 LEU A 114 22.535 33.008 34.808 1.00 15.75 H new ATOM 0 HD23 LEU A 114 22.884 32.537 36.279 1.00 15.75 H new ATOM 760 N ASN A 115 25.486 36.234 36.461 1.00 15.42 N ATOM 761 CA ASN A 115 26.497 37.290 36.333 1.00 15.13 C ATOM 762 C ASN A 115 26.998 37.297 34.852 1.00 15.39 C ATOM 763 O ASN A 115 26.451 36.561 34.039 1.00 15.99 O ATOM 764 CB ASN A 115 27.625 37.025 37.344 1.00 18.19 C ATOM 765 CG ASN A 115 28.251 35.653 37.222 1.00 33.92 C ATOM 766 OD1 ASN A 115 28.809 35.300 36.180 1.00 24.23 O ATOM 767 ND2 ASN A 115 28.177 34.845 38.284 1.00 21.74 N ATOM 0 H ASN A 115 25.618 35.596 35.899 1.00 15.42 H new ATOM 0 HA ASN A 115 26.136 38.168 36.533 1.00 15.13 H new ATOM 0 HB2 ASN A 115 28.315 37.697 37.228 1.00 18.19 H new ATOM 0 HB3 ASN A 115 27.274 37.131 38.242 1.00 18.19 H new ATOM 0 HD21 ASN A 115 28.523 34.058 38.251 1.00 21.74 H new ATOM 0 HD22 ASN A 115 27.783 35.112 39.001 1.00 21.74 H new ATOM 768 N ASER A 116 28.019 38.107 34.529 0.50 10.09 N ATOM 769 N BSER A 116 28.006 38.128 34.494 0.50 11.13 N ATOM 770 CA ASER A 116 28.580 38.222 33.178 0.50 9.39 C ATOM 771 CA BSER A 116 28.477 38.176 33.098 0.50 10.84 C ATOM 772 C ASER A 116 29.147 36.899 32.663 0.50 13.42 C ATOM 773 C BSER A 116 29.145 36.878 32.635 0.50 14.08 C ATOM 774 O ASER A 116 29.176 36.665 31.456 0.50 13.45 O ATOM 775 O BSER A 116 29.195 36.615 31.433 0.50 14.10 O ATOM 776 CB ASER A 116 29.705 39.247 33.195 0.50 10.73 C ATOM 777 CB BSER A 116 29.395 39.372 32.868 0.50 15.05 C ATOM 778 OG ASER A 116 30.705 38.850 34.121 0.50 10.64 O ATOM 779 OG BSER A 116 28.727 40.382 32.128 0.50 21.29 O ATOM 0 H ASER A 116 28.410 38.614 35.103 0.50 11.13 H new ATOM 0 H BSER A 116 28.417 38.657 35.034 0.50 11.13 H new ATOM 0 HA ASER A 116 27.858 38.490 32.588 0.50 10.84 H new ATOM 0 HA BSER A 116 27.682 38.282 32.552 0.50 10.84 H new ATOM 0 HB2ASER A 116 30.089 39.332 32.308 0.50 15.05 H new ATOM 0 HB2BSER A 116 29.688 39.730 33.721 0.50 15.05 H new ATOM 0 HB3ASER A 116 29.356 40.119 33.438 0.50 15.05 H new ATOM 0 HB3BSER A 116 30.191 39.088 32.391 0.50 15.05 H new ATOM 0 HG ASER A 116 31.301 39.440 34.160 0.50 21.29 H new ATOM 0 HG BSER A 116 28.662 40.145 31.325 0.50 21.29 H new ATOM 780 N ARG A 117 29.614 36.051 33.584 1.00 11.32 N ATOM 781 CA ARG A 117 30.248 34.774 33.252 1.00 10.24 C ATOM 782 C ARG A 117 29.304 33.597 33.314 1.00 12.92 C ATOM 783 O ARG A 117 29.651 32.534 32.800 1.00 11.86 O ATOM 784 CB ARG A 117 31.481 34.543 34.124 1.00 12.21 C ATOM 785 CG ARG A 117 32.541 35.613 33.936 1.00 11.07 C ATOM 786 CD ARG A 117 33.704 35.468 34.896 1.00 15.59 C ATOM 787 NE ARG A 117 34.805 36.353 34.507 1.00 25.31 N ATOM 788 CZ ARG A 117 34.895 37.635 34.841 1.00 43.97 C ATOM 789 NH1 ARG A 117 33.952 38.203 35.591 1.00 30.57 N ATOM 790 NH2 ARG A 117 35.924 38.363 34.428 1.00 30.96 N ATOM 0 H AARG A 117 29.570 36.205 34.429 0.50 11.32 H new ATOM 0 H BARG A 117 29.572 36.217 34.427 0.50 11.32 H new ATOM 0 HA ARG A 117 30.526 34.838 32.325 1.00 10.24 H new ATOM 0 HB2 ARG A 117 31.213 34.519 35.056 1.00 12.21 H new ATOM 0 HB3 ARG A 117 31.862 33.676 33.916 1.00 12.21 H new ATOM 0 HG2 ARG A 117 32.873 35.576 33.025 1.00 11.07 H new ATOM 0 HG3 ARG A 117 32.137 36.487 34.055 1.00 11.07 H new ATOM 0 HD2 ARG A 117 33.415 35.680 35.797 1.00 15.59 H new ATOM 0 HD3 ARG A 117 34.010 34.547 34.905 1.00 15.59 H new ATOM 0 HE ARG A 117 35.437 36.019 34.029 1.00 25.31 H new ATOM 0 HH11 ARG A 117 33.280 37.739 35.862 1.00 30.57 H new ATOM 0 HH12 ARG A 117 34.015 39.034 35.805 1.00 30.57 H new ATOM 0 HH21 ARG A 117 36.536 38.005 33.942 1.00 30.96 H new ATOM 0 HH22 ARG A 117 35.979 39.193 34.646 1.00 30.96 H new ATOM 791 N VAL A 118 28.126 33.752 33.954 1.00 6.97 N ATOM 792 CA VAL A 118 27.134 32.666 34.032 1.00 5.56 C ATOM 793 C VAL A 118 25.830 33.369 33.675 1.00 9.88 C ATOM 794 O VAL A 118 25.318 34.178 34.457 1.00 10.16 O ATOM 795 CB VAL A 118 27.074 32.014 35.441 1.00 8.53 C ATOM 796 CG1 VAL A 118 25.921 31.023 35.541 1.00 8.30 C ATOM 797 CG2 VAL A 118 28.394 31.332 35.803 1.00 8.30 C ATOM 0 H VAL A 118 27.887 34.478 34.347 1.00 6.97 H new ATOM 0 HA VAL A 118 27.344 31.925 33.443 1.00 5.56 H new ATOM 0 HB VAL A 118 26.921 32.728 36.079 1.00 8.53 H new ATOM 0 HG11 VAL A 118 25.907 30.632 36.428 1.00 8.30 H new ATOM 0 HG12 VAL A 118 25.083 31.484 35.378 1.00 8.30 H new ATOM 0 HG13 VAL A 118 26.038 30.322 34.881 1.00 8.30 H new ATOM 0 HG21 VAL A 118 28.323 30.937 36.686 1.00 8.30 H new ATOM 0 HG22 VAL A 118 28.589 30.639 35.153 1.00 8.30 H new ATOM 0 HG23 VAL A 118 29.109 31.988 35.800 1.00 8.30 H new ATOM 798 N ALA A 119 25.304 33.091 32.483 1.00 7.22 N ATOM 799 CA ALA A 119 24.151 33.806 31.971 1.00 7.51 C ATOM 800 C ALA A 119 23.314 32.879 31.159 1.00 9.31 C ATOM 801 O ALA A 119 23.822 31.948 30.555 1.00 9.36 O ATOM 802 CB ALA A 119 24.622 34.974 31.098 1.00 8.75 C ATOM 0 H ALA A 119 25.608 32.484 31.955 1.00 7.22 H new ATOM 0 HA ALA A 119 23.626 34.149 32.711 1.00 7.51 H new ATOM 0 HB1 ALA A 119 23.851 35.453 30.755 1.00 8.75 H new ATOM 0 HB2 ALA A 119 25.166 35.576 31.629 1.00 8.75 H new ATOM 0 HB3 ALA A 119 25.147 34.633 30.357 1.00 8.75 H new ATOM 803 N SER A 120 22.035 33.170 31.103 1.00 5.67 N ATOM 804 CA ASER A 120 21.101 32.388 30.326 0.50 5.12 C ATOM 805 CA BSER A 120 21.084 32.404 30.322 0.50 5.73 C ATOM 806 C SER A 120 21.181 32.804 28.851 1.00 8.85 C ATOM 807 O SER A 120 21.618 33.920 28.527 1.00 7.27 O ATOM 808 CB ASER A 120 19.690 32.581 30.873 0.50 7.69 C ATOM 809 CB BSER A 120 19.671 32.665 30.833 0.50 10.18 C ATOM 810 OG ASER A 120 19.287 33.935 30.767 0.50 8.91 O ATOM 811 OG BSER A 120 19.594 32.421 32.225 0.50 19.37 O ATOM 0 H ASER A 120 21.678 33.833 31.518 0.50 5.67 H new ATOM 0 H BSER A 120 21.683 33.832 31.525 0.50 5.67 H new ATOM 0 HA ASER A 120 21.328 31.447 30.391 0.50 5.73 H new ATOM 0 HA BSER A 120 21.287 31.460 30.410 0.50 5.73 H new ATOM 0 HB2ASER A 120 19.070 32.016 30.386 0.50 10.18 H new ATOM 0 HB2BSER A 120 19.418 33.582 30.646 0.50 10.18 H new ATOM 0 HB3ASER A 120 19.658 32.302 31.801 0.50 10.18 H new ATOM 0 HB3BSER A 120 19.041 32.095 30.364 0.50 10.18 H new ATOM 0 HG ASER A 120 18.879 34.050 30.042 0.50 19.37 H new ATOM 0 HG BSER A 120 19.043 32.951 32.573 0.50 19.37 H new ATOM 812 N ILE A 121 20.795 31.903 27.966 1.00 4.62 N ATOM 813 CA ILE A 121 20.740 32.145 26.544 1.00 3.66 C ATOM 814 C ILE A 121 19.252 32.210 26.186 1.00 7.18 C ATOM 815 O ILE A 121 18.472 31.341 26.571 1.00 6.84 O ATOM 816 CB ILE A 121 21.521 31.104 25.695 1.00 6.86 C ATOM 817 CG1 ILE A 121 21.513 31.452 24.171 1.00 9.21 C ATOM 818 CG2 ILE A 121 21.014 29.674 25.917 1.00 7.35 C ATOM 819 CD1 ILE A 121 22.245 32.709 23.790 1.00 13.43 C ATOM 0 H ILE A 121 20.550 31.109 28.186 1.00 4.62 H new ATOM 0 HA ILE A 121 21.191 32.977 26.330 1.00 3.66 H new ATOM 0 HB ILE A 121 22.439 31.148 26.006 1.00 6.86 H new ATOM 0 HG12 ILE A 121 21.902 30.709 23.684 1.00 9.21 H new ATOM 0 HG13 ILE A 121 20.592 31.532 23.878 1.00 9.21 H new ATOM 0 HG21 ILE A 121 21.528 29.060 25.370 1.00 7.35 H new ATOM 0 HG22 ILE A 121 21.116 29.436 26.852 1.00 7.35 H new ATOM 0 HG23 ILE A 121 20.077 29.621 25.670 1.00 7.35 H new ATOM 0 HD11 ILE A 121 22.185 32.840 22.831 1.00 13.43 H new ATOM 0 HD12 ILE A 121 21.846 33.467 24.245 1.00 13.43 H new ATOM 0 HD13 ILE A 121 23.177 32.632 24.048 1.00 13.43 H new ATOM 820 N ASER A 122 18.870 33.231 25.421 0.50 5.68 N ATOM 821 N BSER A 122 18.879 33.228 25.425 0.50 6.45 N ATOM 822 CA ASER A 122 17.488 33.408 24.995 0.50 5.78 C ATOM 823 CA BSER A 122 17.510 33.433 24.984 0.50 6.96 C ATOM 824 C ASER A 122 17.040 32.300 24.044 0.50 10.45 C ATOM 825 C BSER A 122 17.046 32.308 24.040 0.50 10.99 C ATOM 826 O ASER A 122 17.824 31.787 23.235 0.50 9.74 O ATOM 827 O BSER A 122 17.828 31.791 23.233 0.50 10.25 O ATOM 828 CB ASER A 122 17.314 34.762 24.318 0.50 9.48 C ATOM 829 CB BSER A 122 17.404 34.781 24.280 0.50 11.97 C ATOM 830 OG ASER A 122 17.373 35.795 25.284 0.50 12.44 O ATOM 831 OG BSER A 122 16.105 34.987 23.758 0.50 22.08 O ATOM 0 H ASER A 122 19.407 33.839 25.136 0.50 6.45 H new ATOM 0 H BSER A 122 19.425 33.830 25.145 0.50 6.45 H new ATOM 0 HA ASER A 122 16.933 33.365 25.789 0.50 6.96 H new ATOM 0 HA BSER A 122 16.933 33.420 25.763 0.50 6.96 H new ATOM 0 HB2ASER A 122 18.007 34.891 23.652 0.50 11.97 H new ATOM 0 HB2BSER A 122 17.621 35.492 24.903 0.50 11.97 H new ATOM 0 HB3ASER A 122 16.464 34.793 23.852 0.50 11.97 H new ATOM 0 HB3BSER A 122 18.054 34.825 23.562 0.50 11.97 H new ATOM 0 HG ASER A 122 17.515 35.462 26.042 0.50 22.08 H new ATOM 0 HG BSER A 122 15.534 34.750 24.326 0.50 22.08 H new ATOM 832 N LEU A 123 15.772 31.925 24.167 1.00 8.87 N ATOM 833 CA LEU A 123 15.149 30.937 23.307 1.00 7.70 C ATOM 834 C LEU A 123 14.777 31.669 22.016 1.00 12.12 C ATOM 835 O LEU A 123 14.536 32.891 22.042 1.00 11.55 O ATOM 836 CB LEU A 123 13.883 30.362 23.954 1.00 7.52 C ATOM 837 CG LEU A 123 14.051 29.376 25.112 1.00 10.63 C ATOM 838 CD1 LEU A 123 12.675 28.887 25.541 1.00 10.42 C ATOM 839 CD2 LEU A 123 14.946 28.173 24.713 1.00 13.67 C ATOM 0 H ALEU A 123 15.243 32.245 24.764 0.50 8.87 H new ATOM 0 H BLEU A 123 15.244 32.242 24.767 0.50 8.87 H new ATOM 0 HA LEU A 123 15.753 30.195 23.145 1.00 7.70 H new ATOM 0 HB2 LEU A 123 13.348 31.106 24.273 1.00 7.52 H new ATOM 0 HB3 LEU A 123 13.369 29.920 23.260 1.00 7.52 H new ATOM 0 HG LEU A 123 14.490 29.831 25.848 1.00 10.63 H new ATOM 0 HD11 LEU A 123 12.769 28.260 26.276 1.00 10.42 H new ATOM 0 HD12 LEU A 123 12.138 29.642 25.827 1.00 10.42 H new ATOM 0 HD13 LEU A 123 12.241 28.446 24.794 1.00 10.42 H new ATOM 0 HD21 LEU A 123 15.032 27.569 25.467 1.00 13.67 H new ATOM 0 HD22 LEU A 123 14.542 27.703 23.967 1.00 13.67 H new ATOM 0 HD23 LEU A 123 15.824 28.494 24.455 1.00 13.67 H new ATOM 840 N PRO A 124 14.724 30.970 20.879 1.00 10.14 N ATOM 841 CA PRO A 124 14.390 31.662 19.627 1.00 10.90 C ATOM 842 C PRO A 124 12.913 32.028 19.598 1.00 14.14 C ATOM 843 O PRO A 124 12.110 31.344 20.217 1.00 12.70 O ATOM 844 CB PRO A 124 14.706 30.615 18.553 1.00 12.99 C ATOM 845 CG PRO A 124 14.610 29.318 19.222 1.00 16.61 C ATOM 846 CD PRO A 124 14.980 29.534 20.662 1.00 11.41 C ATOM 0 HA PRO A 124 14.878 32.492 19.507 1.00 10.90 H new ATOM 0 HB2 PRO A 124 14.079 30.673 17.815 1.00 12.99 H new ATOM 0 HB3 PRO A 124 15.593 30.752 18.184 1.00 12.99 H new ATOM 0 HG2 PRO A 124 13.711 28.961 19.149 1.00 16.61 H new ATOM 0 HG3 PRO A 124 15.206 28.674 18.808 1.00 16.61 H new ATOM 0 HD2 PRO A 124 14.444 28.983 21.254 1.00 11.41 H new ATOM 0 HD3 PRO A 124 15.909 29.309 20.829 1.00 11.41 H new ATOM 847 N THR A 125 12.563 33.073 18.841 1.00 15.03 N ATOM 848 CA THR A 125 11.168 33.478 18.645 1.00 16.25 C ATOM 849 C THR A 125 10.741 32.909 17.294 1.00 20.80 C ATOM 850 O THR A 125 9.557 32.721 17.039 1.00 22.13 O ATOM 851 CB THR A 125 11.019 35.007 18.716 1.00 23.75 C ATOM 852 OG1 THR A 125 11.849 35.593 17.722 1.00 26.89 O ATOM 853 CG2 THR A 125 11.381 35.573 20.094 1.00 22.85 C ATOM 0 H THR A 125 13.131 33.568 18.426 1.00 15.03 H new ATOM 0 HA THR A 125 10.595 33.134 19.348 1.00 16.25 H new ATOM 0 HB THR A 125 10.086 35.223 18.560 1.00 23.75 H new ATOM 0 HG1 THR A 125 11.774 36.429 17.751 1.00 26.89 H new ATOM 0 HG21 THR A 125 11.271 36.537 20.087 1.00 22.85 H new ATOM 0 HG22 THR A 125 10.798 35.186 20.766 1.00 22.85 H new ATOM 0 HG23 THR A 125 12.303 35.355 20.302 1.00 22.85 H new ATOM 854 N SER A 127 11.732 32.629 16.440 1.00 18.20 N ATOM 855 CA SER A 127 11.571 32.006 15.130 1.00 17.42 C ATOM 856 C SER A 127 12.812 31.175 14.791 1.00 18.32 C ATOM 857 O SER A 127 13.882 31.368 15.371 1.00 19.39 O ATOM 858 CB SER A 127 11.341 33.063 14.052 1.00 22.19 C ATOM 859 OG SER A 127 12.497 33.876 13.923 1.00 32.12 O ATOM 0 H SER A 127 12.553 32.807 16.622 1.00 18.20 H new ATOM 0 HA SER A 127 10.795 31.425 15.160 1.00 17.42 H new ATOM 0 HB2 SER A 127 11.140 32.635 13.205 1.00 22.19 H new ATOM 0 HB3 SER A 127 10.574 33.611 14.282 1.00 22.19 H new ATOM 0 HG SER A 127 12.368 34.455 13.328 1.00 32.12 H new ATOM 860 N CYS A 128 12.647 30.247 13.861 1.00 14.38 N ATOM 861 CA CYS A 128 13.671 29.337 13.365 1.00 11.86 C ATOM 862 C CYS A 128 14.695 30.078 12.522 1.00 17.79 C ATOM 863 O CYS A 128 14.311 30.946 11.736 1.00 20.02 O ATOM 864 CB CYS A 128 13.010 28.215 12.580 1.00 11.13 C ATOM 865 SG CYS A 128 11.721 27.344 13.502 1.00 13.58 S ATOM 0 H CYS A 128 11.887 30.123 13.478 1.00 14.38 H new ATOM 0 HA CYS A 128 14.148 28.952 14.117 1.00 11.86 H new ATOM 0 HB2 CYS A 128 12.625 28.582 11.769 1.00 11.13 H new ATOM 0 HB3 CYS A 128 13.689 27.578 12.308 1.00 11.13 H new ATOM 866 N ALA A 129 15.992 29.769 12.700 1.00 13.27 N ATOM 867 CA ALA A 129 17.058 30.395 11.923 1.00 12.54 C ATOM 868 C ALA A 129 17.187 29.726 10.573 1.00 17.57 C ATOM 869 O ALA A 129 17.030 28.514 10.455 1.00 19.49 O ATOM 870 CB ALA A 129 18.382 30.343 12.667 1.00 13.93 C ATOM 0 H ALA A 129 16.269 29.192 13.274 1.00 13.27 H new ATOM 0 HA ALA A 129 16.825 31.327 11.790 1.00 12.54 H new ATOM 0 HB1 ALA A 129 19.072 30.764 12.131 1.00 13.93 H new ATOM 0 HB2 ALA A 129 18.298 30.813 13.511 1.00 13.93 H new ATOM 0 HB3 ALA A 129 18.623 29.419 12.835 1.00 13.93 H new ATOM 871 N SER A 130 17.495 30.518 9.562 1.00 11.79 N ATOM 872 CA SER A 130 17.598 30.064 8.183 1.00 10.26 C ATOM 873 C SER A 130 18.944 29.488 7.859 1.00 12.76 C ATOM 874 O SER A 130 19.958 29.865 8.453 1.00 11.37 O ATOM 875 CB SER A 130 17.382 31.248 7.244 1.00 12.28 C ATOM 876 OG SER A 130 16.109 31.823 7.440 1.00 14.79 O ATOM 0 H SER A 130 17.655 31.358 9.658 1.00 11.79 H new ATOM 0 HA SER A 130 16.926 29.374 8.069 1.00 10.26 H new ATOM 0 HB2 SER A 130 18.069 31.916 7.396 1.00 12.28 H new ATOM 0 HB3 SER A 130 17.470 30.955 6.323 1.00 12.28 H new ATOM 0 HG SER A 130 16.011 32.472 6.916 1.00 14.79 H new ATOM 877 N ALA A 132 18.972 28.680 6.800 1.00 11.26 N ATOM 878 CA ALA A 132 20.220 28.187 6.225 1.00 9.26 C ATOM 879 C ALA A 132 21.023 29.412 5.811 1.00 12.34 C ATOM 880 O ALA A 132 20.454 30.424 5.380 1.00 12.84 O ATOM 881 CB ALA A 132 19.917 27.336 5.016 1.00 10.70 C ATOM 0 H ALA A 132 18.266 28.403 6.395 1.00 11.26 H new ATOM 0 HA ALA A 132 20.714 27.646 6.860 1.00 9.26 H new ATOM 0 HB1 ALA A 132 20.747 27.009 4.634 1.00 10.70 H new ATOM 0 HB2 ALA A 132 19.364 26.584 5.280 1.00 10.70 H new ATOM 0 HB3 ALA A 132 19.445 27.868 4.356 1.00 10.70 H new ATOM 882 N GLY A 133 22.317 29.354 6.074 1.00 8.09 N ATOM 883 CA GLY A 133 23.234 30.453 5.821 1.00 7.61 C ATOM 884 C GLY A 133 23.467 31.308 7.046 1.00 10.28 C ATOM 885 O GLY A 133 24.452 32.041 7.089 1.00 11.23 O ATOM 0 H GLY A 133 22.696 28.660 6.412 1.00 8.09 H new ATOM 0 HA2 GLY A 133 24.082 30.098 5.512 1.00 7.61 H new ATOM 0 HA3 GLY A 133 22.881 31.006 5.107 1.00 7.61 H new ATOM 886 N THR A 134 22.593 31.218 8.055 1.00 7.67 N ATOM 887 CA THR A 134 22.819 31.970 9.314 1.00 7.71 C ATOM 888 C THR A 134 24.113 31.485 9.990 1.00 10.85 C ATOM 889 O THR A 134 24.306 30.282 10.171 1.00 9.40 O ATOM 890 CB THR A 134 21.645 31.821 10.303 1.00 14.85 C ATOM 891 OG1 THR A 134 20.449 32.259 9.673 1.00 16.70 O ATOM 892 CG2 THR A 134 21.851 32.633 11.588 1.00 10.26 C ATOM 0 H THR A 134 21.878 30.741 8.040 1.00 7.67 H new ATOM 0 HA THR A 134 22.893 32.908 9.077 1.00 7.71 H new ATOM 0 HB THR A 134 21.591 30.885 10.550 1.00 14.85 H new ATOM 0 HG1 THR A 134 20.124 31.630 9.221 1.00 16.70 H new ATOM 0 HG21 THR A 134 21.090 32.508 12.176 1.00 10.26 H new ATOM 0 HG22 THR A 134 22.657 32.332 12.035 1.00 10.26 H new ATOM 0 HG23 THR A 134 21.936 33.574 11.367 1.00 10.26 H new ATOM 893 N GLN A 135 24.978 32.424 10.356 1.00 8.58 N ATOM 894 CA GLN A 135 26.204 32.118 11.059 1.00 8.92 C ATOM 895 C GLN A 135 25.878 31.893 12.540 1.00 11.65 C ATOM 896 O GLN A 135 25.149 32.692 13.159 1.00 12.21 O ATOM 897 CB GLN A 135 27.203 33.275 10.915 1.00 10.55 C ATOM 898 CG GLN A 135 27.914 33.288 9.561 1.00 25.43 C ATOM 899 CD GLN A 135 28.819 32.095 9.342 1.00 36.80 C ATOM 900 OE1 GLN A 135 29.429 31.544 10.270 1.00 38.54 O ATOM 901 NE2 GLN A 135 28.929 31.676 8.099 1.00 21.48 N ATOM 0 H GLN A 135 24.864 33.262 10.199 1.00 8.58 H new ATOM 0 HA GLN A 135 26.604 31.319 10.682 1.00 8.92 H new ATOM 0 HB2 GLN A 135 26.735 34.116 11.037 1.00 10.55 H new ATOM 0 HB3 GLN A 135 27.865 33.214 11.621 1.00 10.55 H new ATOM 0 HG2 GLN A 135 27.249 33.314 8.855 1.00 25.43 H new ATOM 0 HG3 GLN A 135 28.439 34.101 9.487 1.00 25.43 H new ATOM 0 HE21 GLN A 135 28.496 32.074 7.471 1.00 21.48 H new ATOM 0 HE22 GLN A 135 29.434 31.004 7.915 1.00 21.48 H new ATOM 902 N CYS A 136 26.410 30.797 13.108 1.00 7.96 N ATOM 903 CA CYS A 136 26.181 30.469 14.512 1.00 7.31 C ATOM 904 C CYS A 136 27.463 30.156 15.226 1.00 8.55 C ATOM 905 O CYS A 136 28.502 29.925 14.605 1.00 7.25 O ATOM 906 CB CYS A 136 25.239 29.282 14.619 1.00 6.81 C ATOM 907 SG CYS A 136 23.709 29.459 13.678 1.00 9.09 S ATOM 0 H CYS A 136 26.907 30.234 12.689 1.00 7.96 H new ATOM 0 HA CYS A 136 25.783 31.247 14.934 1.00 7.31 H new ATOM 0 HB2 CYS A 136 25.703 28.486 14.315 1.00 6.81 H new ATOM 0 HB3 CYS A 136 25.017 29.142 15.553 1.00 6.81 H new ATOM 908 N LEU A 137 27.357 30.019 16.534 1.00 3.00 N ATOM 909 CA LEU A 137 28.499 29.630 17.377 1.00 3.87 C ATOM 910 C LEU A 137 28.214 28.304 18.045 1.00 5.50 C ATOM 911 O LEU A 137 27.199 28.177 18.740 1.00 4.48 O ATOM 912 CB LEU A 137 28.787 30.698 18.416 1.00 4.60 C ATOM 913 CG LEU A 137 29.968 30.370 19.332 1.00 7.92 C ATOM 914 CD1 LEU A 137 31.296 30.440 18.590 1.00 7.58 C ATOM 915 CD2 LEU A 137 29.972 31.233 20.604 1.00 10.50 C ATOM 0 H LEU A 137 26.626 30.146 16.969 1.00 3.00 H new ATOM 0 HA LEU A 137 29.285 29.538 16.816 1.00 3.87 H new ATOM 0 HB2 LEU A 137 28.964 31.538 17.963 1.00 4.60 H new ATOM 0 HB3 LEU A 137 27.994 30.830 18.960 1.00 4.60 H new ATOM 0 HG LEU A 137 29.853 29.451 19.621 1.00 7.92 H new ATOM 0 HD11 LEU A 137 32.019 30.227 19.200 1.00 7.58 H new ATOM 0 HD12 LEU A 137 31.292 29.803 17.859 1.00 7.58 H new ATOM 0 HD13 LEU A 137 31.423 31.335 18.238 1.00 7.58 H new ATOM 0 HD21 LEU A 137 30.734 30.994 21.155 1.00 10.50 H new ATOM 0 HD22 LEU A 137 30.031 32.170 20.360 1.00 10.50 H new ATOM 0 HD23 LEU A 137 29.153 31.080 21.101 1.00 10.50 H new ATOM 916 N ILE A 138 29.090 27.317 17.830 1.00 4.35 N ATOM 917 CA ILE A 138 28.924 25.988 18.413 1.00 3.81 C ATOM 918 C ILE A 138 30.071 25.877 19.407 1.00 5.50 C ATOM 919 O ILE A 138 31.164 26.337 19.117 1.00 6.23 O ATOM 920 CB ILE A 138 28.987 24.888 17.308 1.00 5.15 C ATOM 921 CG1 ILE A 138 27.932 25.165 16.179 1.00 4.74 C ATOM 922 CG2 ILE A 138 28.824 23.463 17.940 1.00 4.55 C ATOM 923 CD1 ILE A 138 28.025 24.175 14.974 1.00 9.49 C ATOM 0 H ILE A 138 29.794 27.402 17.343 1.00 4.35 H new ATOM 0 HA ILE A 138 28.064 25.863 18.843 1.00 3.81 H new ATOM 0 HB ILE A 138 29.861 24.918 16.888 1.00 5.15 H new ATOM 0 HG12 ILE A 138 27.042 25.115 16.560 1.00 4.74 H new ATOM 0 HG13 ILE A 138 28.050 26.071 15.853 1.00 4.74 H new ATOM 0 HG21 ILE A 138 28.865 22.792 17.241 1.00 4.55 H new ATOM 0 HG22 ILE A 138 29.538 23.308 18.579 1.00 4.55 H new ATOM 0 HG23 ILE A 138 27.968 23.405 18.392 1.00 4.55 H new ATOM 0 HD11 ILE A 138 27.349 24.401 14.316 1.00 9.49 H new ATOM 0 HD12 ILE A 138 28.904 24.240 14.569 1.00 9.49 H new ATOM 0 HD13 ILE A 138 27.880 23.269 15.288 1.00 9.49 H new ATOM 924 N SER A 139 29.824 25.324 20.576 1.00 3.78 N ATOM 925 CA SER A 139 30.887 25.265 21.567 1.00 3.00 C ATOM 926 C SER A 139 30.795 23.978 22.378 1.00 6.95 C ATOM 927 O SER A 139 29.731 23.386 22.481 1.00 6.59 O ATOM 928 CB SER A 139 30.839 26.481 22.479 1.00 5.38 C ATOM 929 OG SER A 139 29.512 26.764 22.891 1.00 6.43 O ATOM 0 H SER A 139 29.071 24.984 20.816 1.00 3.78 H new ATOM 0 HA SER A 139 31.738 25.269 21.101 1.00 3.00 H new ATOM 0 HB2 SER A 139 31.396 26.326 23.258 1.00 5.38 H new ATOM 0 HB3 SER A 139 31.207 27.250 22.016 1.00 5.38 H new ATOM 0 HG SER A 139 29.318 26.291 23.557 1.00 6.43 H new ATOM 930 N GLY A 140 31.914 23.566 22.956 1.00 5.02 N ATOM 931 CA GLY A 140 31.907 22.361 23.772 1.00 4.28 C ATOM 932 C GLY A 140 33.293 21.887 24.093 1.00 6.42 C ATOM 933 O GLY A 140 34.268 22.407 23.548 1.00 4.13 O ATOM 0 H GLY A 140 32.675 23.961 22.891 1.00 5.02 H new ATOM 0 HA2 GLY A 140 31.427 22.534 24.597 1.00 4.28 H new ATOM 0 HA3 GLY A 140 31.427 21.659 23.306 1.00 4.28 H new ATOM 934 N TRP A 141 33.359 20.862 24.945 1.00 4.21 N ATOM 935 CA TRP A 141 34.585 20.221 25.413 1.00 4.85 C ATOM 936 C TRP A 141 34.812 18.876 24.715 1.00 8.31 C ATOM 937 O TRP A 141 35.539 18.020 25.215 1.00 6.49 O ATOM 938 CB TRP A 141 34.445 20.014 26.910 1.00 3.31 C ATOM 939 CG TRP A 141 34.613 21.277 27.675 1.00 3.78 C ATOM 940 CD1 TRP A 141 35.787 21.908 27.958 1.00 6.29 C ATOM 941 CD2 TRP A 141 33.574 22.110 28.185 1.00 3.14 C ATOM 942 NE1 TRP A 141 35.550 23.034 28.715 1.00 4.83 N ATOM 943 CE2 TRP A 141 34.198 23.168 28.896 1.00 6.24 C ATOM 944 CE3 TRP A 141 32.175 21.990 28.241 1.00 4.38 C ATOM 945 CZ2 TRP A 141 33.469 24.165 29.550 1.00 5.26 C ATOM 946 CZ3 TRP A 141 31.454 22.979 28.884 1.00 4.90 C ATOM 947 CH2 TRP A 141 32.097 24.014 29.591 1.00 5.03 C ATOM 0 H TRP A 141 32.652 20.505 25.281 1.00 4.21 H new ATOM 0 HA TRP A 141 35.349 20.782 25.208 1.00 4.85 H new ATOM 0 HB2 TRP A 141 33.572 19.637 27.101 1.00 3.31 H new ATOM 0 HB3 TRP A 141 35.105 19.368 27.208 1.00 3.31 H new ATOM 0 HD1 TRP A 141 36.627 21.620 27.680 1.00 6.29 H new ATOM 0 HE1 TRP A 141 36.152 23.566 29.023 1.00 4.83 H new ATOM 0 HE3 TRP A 141 31.744 21.262 27.854 1.00 4.38 H new ATOM 0 HZ2 TRP A 141 33.889 24.897 29.940 1.00 5.26 H new ATOM 0 HZ3 TRP A 141 30.525 22.961 28.849 1.00 4.90 H new ATOM 0 HH2 TRP A 141 31.588 24.607 30.095 1.00 5.03 H new ATOM 948 N GLY A 142 34.190 18.701 23.570 1.00 4.75 N ATOM 949 CA GLY A 142 34.310 17.472 22.798 1.00 5.53 C ATOM 950 C GLY A 142 35.664 17.274 22.146 1.00 8.26 C ATOM 951 O GLY A 142 36.509 18.180 22.143 1.00 8.22 O ATOM 0 H GLY A 142 33.680 19.293 23.210 1.00 4.75 H new ATOM 0 HA2 GLY A 142 34.130 16.718 23.381 1.00 5.53 H new ATOM 0 HA3 GLY A 142 33.627 17.467 22.109 1.00 5.53 H new ATOM 952 N ASN A 143 35.871 16.067 21.612 1.00 5.60 N ATOM 953 CA ASN A 143 37.068 15.654 20.900 1.00 6.05 C ATOM 954 C ASN A 143 37.466 16.700 19.853 1.00 8.67 C ATOM 955 O ASN A 143 36.600 17.268 19.168 1.00 6.39 O ATOM 956 CB ASN A 143 36.792 14.296 20.239 1.00 8.35 C ATOM 957 CG ASN A 143 37.973 13.629 19.611 1.00 22.79 C ATOM 958 OD1 ASN A 143 39.115 14.095 19.712 1.00 12.04 O ATOM 959 ND2 ASN A 143 37.702 12.504 18.947 1.00 14.39 N ATOM 0 H ASN A 143 35.284 15.441 21.661 1.00 5.60 H new ATOM 0 HA ASN A 143 37.809 15.572 21.521 1.00 6.05 H new ATOM 0 HB2 ASN A 143 36.422 13.699 20.908 1.00 8.35 H new ATOM 0 HB3 ASN A 143 36.111 14.418 19.559 1.00 8.35 H new ATOM 0 HD21 ASN A 143 38.336 12.067 18.564 1.00 14.39 H new ATOM 0 HD22 ASN A 143 36.893 12.216 18.902 1.00 14.39 H new ATOM 960 N THR A 144 38.775 16.980 19.747 1.00 6.75 N ATOM 961 CA THR A 144 39.278 17.990 18.801 1.00 7.63 C ATOM 962 C THR A 144 39.884 17.333 17.560 1.00 11.80 C ATOM 963 O THR A 144 40.284 18.031 16.644 1.00 10.02 O ATOM 964 CB THR A 144 40.264 18.970 19.462 1.00 13.72 C ATOM 965 OG1 THR A 144 41.377 18.226 19.952 1.00 10.80 O ATOM 966 CG2 THR A 144 39.626 19.796 20.568 1.00 11.39 C ATOM 0 H THR A 144 39.387 16.596 20.214 1.00 6.75 H new ATOM 0 HA THR A 144 38.515 18.516 18.515 1.00 7.63 H new ATOM 0 HB THR A 144 40.555 19.611 18.794 1.00 13.72 H new ATOM 0 HG1 THR A 144 42.055 18.395 19.485 1.00 10.80 H new ATOM 0 HG21 THR A 144 40.288 20.394 20.949 1.00 11.39 H new ATOM 0 HG22 THR A 144 38.894 20.316 20.202 1.00 11.39 H new ATOM 0 HG23 THR A 144 39.289 19.205 21.260 1.00 11.39 H new ATOM 967 N LYS A 145 39.899 15.995 17.493 1.00 12.31 N ATOM 968 CA LYS A 145 40.447 15.300 16.319 1.00 12.93 C ATOM 969 C LYS A 145 39.372 14.548 15.517 1.00 19.93 C ATOM 970 O LYS A 145 38.464 13.951 16.103 1.00 19.33 O ATOM 971 CB LYS A 145 41.547 14.327 16.764 1.00 15.00 C ATOM 972 CG LYS A 145 42.642 14.947 17.639 1.00 30.47 C ATOM 973 CD LYS A 145 43.665 15.749 16.862 1.00 45.43 C ATOM 974 CE LYS A 145 45.030 15.098 16.842 1.00 59.21 C ATOM 975 NZ LYS A 145 45.658 15.037 18.191 1.00 68.03 N ATOM 0 H LYS A 145 39.600 15.476 18.110 1.00 12.31 H new ATOM 0 HA LYS A 145 40.816 15.976 15.730 1.00 12.93 H new ATOM 0 HB2 LYS A 145 41.136 13.596 17.252 1.00 15.00 H new ATOM 0 HB3 LYS A 145 41.960 13.944 15.975 1.00 15.00 H new ATOM 0 HG2 LYS A 145 42.228 15.522 18.301 1.00 30.47 H new ATOM 0 HG3 LYS A 145 43.097 14.240 18.122 1.00 30.47 H new ATOM 0 HD2 LYS A 145 43.354 15.866 15.951 1.00 45.43 H new ATOM 0 HD3 LYS A 145 43.739 16.634 17.252 1.00 45.43 H new ATOM 0 HE2 LYS A 145 44.950 14.199 16.486 1.00 59.21 H new ATOM 0 HE3 LYS A 145 45.610 15.591 16.241 1.00 59.21 H new ATOM 0 HZ1 LYS A 145 46.530 14.883 18.106 1.00 68.03 H new ATOM 0 HZ2 LYS A 145 45.533 15.811 18.612 1.00 68.03 H new ATOM 0 HZ3 LYS A 145 45.286 14.380 18.662 1.00 68.03 H new ATOM 976 N SER A 146 39.492 14.564 14.175 1.00 19.20 N ATOM 977 CA SER A 146 38.567 13.891 13.243 1.00 19.78 C ATOM 978 C SER A 146 38.956 12.422 13.061 1.00 26.55 C ATOM 979 O SER A 146 38.112 11.598 12.722 1.00 27.14 O ATOM 980 CB SER A 146 38.547 14.615 11.899 1.00 22.81 C ATOM 981 OG SER A 146 39.855 14.775 11.374 1.00 28.69 O ATOM 0 H SER A 146 40.131 14.978 13.774 1.00 19.20 H new ATOM 0 HA SER A 146 37.674 13.921 13.621 1.00 19.78 H new ATOM 0 HB2 SER A 146 38.003 14.116 11.270 1.00 22.81 H new ATOM 0 HB3 SER A 146 38.131 15.485 12.005 1.00 22.81 H new ATOM 0 HG SER A 146 40.278 15.331 11.840 1.00 28.69 H new ATOM 982 N SER A 147 40.251 12.113 13.264 1.00 24.30 N ATOM 983 CA SER A 147 40.831 10.767 13.255 1.00 25.17 C ATOM 984 C SER A 147 41.694 10.705 14.503 1.00 30.05 C ATOM 985 O SER A 147 42.662 11.465 14.650 1.00 30.54 O ATOM 986 CB SER A 147 41.663 10.507 12.001 1.00 28.96 C ATOM 987 OG SER A 147 40.956 9.639 11.129 1.00 42.42 O ATOM 0 H SER A 147 40.840 12.720 13.418 1.00 24.30 H new ATOM 0 HA SER A 147 40.140 10.086 13.248 1.00 25.17 H new ATOM 0 HB2 SER A 147 41.856 11.344 11.551 1.00 28.96 H new ATOM 0 HB3 SER A 147 42.515 10.112 12.244 1.00 28.96 H new ATOM 0 HG SER A 147 41.415 9.499 10.440 1.00 42.42 H new ATOM 988 N GLY A 148 41.280 9.863 15.429 1.00 24.75 N ATOM 989 CA GLY A 148 41.955 9.771 16.711 1.00 24.11 C ATOM 990 C GLY A 148 41.135 10.487 17.764 1.00 25.90 C ATOM 991 O GLY A 148 39.969 10.845 17.530 1.00 23.52 O ATOM 0 H GLY A 148 40.609 9.334 15.337 1.00 24.75 H new ATOM 0 HA2 GLY A 148 42.076 8.841 16.958 1.00 24.11 H new ATOM 0 HA3 GLY A 148 42.839 10.166 16.651 1.00 24.11 H new ATOM 992 N THR A 149 41.731 10.669 18.949 1.00 20.68 N ATOM 993 CA THR A 149 41.019 11.232 20.087 1.00 18.31 C ATOM 994 C THR A 149 41.925 12.122 20.926 1.00 16.19 C ATOM 995 O THR A 149 43.031 11.718 21.306 1.00 15.42 O ATOM 996 CB THR A 149 40.426 10.049 20.906 1.00 27.41 C ATOM 997 OG1 THR A 149 39.547 9.282 20.078 1.00 27.49 O ATOM 998 CG2 THR A 149 39.660 10.490 22.114 1.00 25.43 C ATOM 0 H THR A 149 42.552 10.469 19.108 1.00 20.68 H new ATOM 0 HA THR A 149 40.299 11.807 19.784 1.00 18.31 H new ATOM 0 HB THR A 149 41.182 9.523 21.209 1.00 27.41 H new ATOM 0 HG1 THR A 149 39.230 8.644 20.522 1.00 27.49 H new ATOM 0 HG21 THR A 149 39.317 9.712 22.581 1.00 25.43 H new ATOM 0 HG22 THR A 149 40.246 10.989 22.705 1.00 25.43 H new ATOM 0 HG23 THR A 149 38.920 11.055 21.840 1.00 25.43 H new ATOM 999 N SER A 150 41.434 13.340 21.224 1.00 9.85 N ATOM 1000 CA SER A 150 42.083 14.281 22.114 1.00 10.75 C ATOM 1001 C SER A 150 40.992 15.158 22.687 1.00 13.26 C ATOM 1002 O SER A 150 40.309 15.885 21.943 1.00 10.08 O ATOM 1003 CB SER A 150 43.110 15.141 21.399 1.00 13.15 C ATOM 1004 OG SER A 150 43.746 15.968 22.361 1.00 13.71 O ATOM 0 H SER A 150 40.695 13.635 20.898 1.00 9.85 H new ATOM 0 HA SER A 150 42.564 13.796 22.803 1.00 10.75 H new ATOM 0 HB2 SER A 150 43.763 14.583 20.948 1.00 13.15 H new ATOM 0 HB3 SER A 150 42.682 15.683 20.718 1.00 13.15 H new ATOM 0 HG SER A 150 43.305 16.677 22.457 1.00 13.71 H new ATOM 1005 N TYR A 151 40.792 15.038 23.994 1.00 10.99 N ATOM 1006 CA TYR A 151 39.798 15.835 24.698 1.00 9.92 C ATOM 1007 C TYR A 151 40.431 17.057 25.268 1.00 12.83 C ATOM 1008 O TYR A 151 41.437 16.944 25.972 1.00 11.10 O ATOM 1009 CB TYR A 151 39.096 15.027 25.765 1.00 9.89 C ATOM 1010 CG TYR A 151 38.107 14.092 25.129 1.00 10.46 C ATOM 1011 CD1 TYR A 151 38.503 12.847 24.653 1.00 11.61 C ATOM 1012 CD2 TYR A 151 36.781 14.467 24.953 1.00 11.70 C ATOM 1013 CE1 TYR A 151 37.585 11.965 24.090 1.00 13.52 C ATOM 1014 CE2 TYR A 151 35.866 13.617 24.333 1.00 14.14 C ATOM 1015 CZ TYR A 151 36.276 12.369 23.897 1.00 18.25 C ATOM 1016 OH TYR A 151 35.362 11.521 23.329 1.00 21.48 O ATOM 0 H TYR A 151 41.228 14.493 24.496 1.00 10.99 H new ATOM 0 HA TYR A 151 39.121 16.111 24.061 1.00 9.92 H new ATOM 0 HB2 TYR A 151 39.745 14.523 26.280 1.00 9.89 H new ATOM 0 HB3 TYR A 151 38.641 15.619 26.384 1.00 9.89 H new ATOM 0 HD1 TYR A 151 39.397 12.599 24.712 1.00 11.61 H new ATOM 0 HD2 TYR A 151 36.498 15.300 25.254 1.00 11.70 H new ATOM 0 HE1 TYR A 151 37.850 11.108 23.845 1.00 13.52 H new ATOM 0 HE2 TYR A 151 34.984 13.887 24.213 1.00 14.14 H new ATOM 0 HH TYR A 151 34.596 11.692 23.629 1.00 21.48 H new ATOM 1017 N PRO A 152 39.897 18.246 24.934 1.00 8.04 N ATOM 1018 CA PRO A 152 40.511 19.473 25.424 1.00 8.81 C ATOM 1019 C PRO A 152 40.034 19.715 26.847 1.00 11.41 C ATOM 1020 O PRO A 152 39.035 19.155 27.280 1.00 13.15 O ATOM 1021 CB PRO A 152 39.970 20.536 24.461 1.00 10.81 C ATOM 1022 CG PRO A 152 38.596 20.059 24.123 1.00 13.39 C ATOM 1023 CD PRO A 152 38.720 18.534 24.082 1.00 9.48 C ATOM 0 HA PRO A 152 41.481 19.464 25.449 1.00 8.81 H new ATOM 0 HB2 PRO A 152 39.949 21.412 24.876 1.00 10.81 H new ATOM 0 HB3 PRO A 152 40.524 20.611 23.668 1.00 10.81 H new ATOM 0 HG2 PRO A 152 37.950 20.343 24.788 1.00 13.39 H new ATOM 0 HG3 PRO A 152 38.299 20.412 23.270 1.00 13.39 H new ATOM 0 HD2 PRO A 152 37.921 18.104 24.424 1.00 9.48 H new ATOM 0 HD3 PRO A 152 38.850 18.213 23.176 1.00 9.48 H new ATOM 1024 N AASP A 153 40.751 20.529 27.581 0.50 9.14 N ATOM 1025 N BASP A 153 40.751 20.529 27.581 0.50 9.14 N ATOM 1026 CA ASP A 153 40.318 20.861 28.930 1.00 8.33 C ATOM 1027 C ASP A 153 39.493 22.156 28.884 1.00 9.24 C ATOM 1028 O ASP A 153 38.533 22.307 29.641 1.00 6.70 O ATOM 1029 CB ASP A 153 41.524 21.014 29.847 1.00 9.75 C ATOM 1030 CG ASP A 153 42.341 19.734 29.924 1.00 18.58 C ATOM 1031 OD1 ASP A 153 41.777 18.695 30.309 1.00 13.67 O ATOM 1032 OD2 ASP A 153 43.517 19.758 29.515 1.00 20.24 O ATOM 0 H AASP A 153 41.484 20.901 27.329 0.50 9.14 H new ATOM 0 H BASP A 153 41.484 20.901 27.329 0.50 9.14 H new ATOM 0 HA AASP A 153 39.766 20.146 29.284 0.50 8.33 H new ATOM 0 HA BASP A 153 39.766 20.146 29.284 0.50 8.33 H new ATOM 0 HB2 ASP A 153 42.085 21.737 29.525 1.00 9.75 H new ATOM 0 HB3 ASP A 153 41.225 21.261 30.736 1.00 9.75 H new ATOM 1033 N VAL A 154 39.876 23.080 27.995 1.00 5.99 N ATOM 1034 CA VAL A 154 39.212 24.372 27.866 1.00 5.98 C ATOM 1035 C VAL A 154 38.124 24.333 26.805 1.00 6.69 C ATOM 1036 O VAL A 154 38.125 23.464 25.920 1.00 6.02 O ATOM 1037 CB VAL A 154 40.216 25.540 27.659 1.00 9.99 C ATOM 1038 CG1 VAL A 154 41.213 25.608 28.820 1.00 10.26 C ATOM 1039 CG2 VAL A 154 40.947 25.402 26.325 1.00 9.65 C ATOM 0 H VAL A 154 40.532 22.969 27.450 1.00 5.99 H new ATOM 0 HA VAL A 154 38.773 24.554 28.712 1.00 5.98 H new ATOM 0 HB VAL A 154 39.713 26.369 27.641 1.00 9.99 H new ATOM 0 HG11 VAL A 154 41.831 26.342 28.674 1.00 10.26 H new ATOM 0 HG12 VAL A 154 40.733 25.751 29.651 1.00 10.26 H new ATOM 0 HG13 VAL A 154 41.707 24.775 28.871 1.00 10.26 H new ATOM 0 HG21 VAL A 154 41.567 26.140 26.218 1.00 9.65 H new ATOM 0 HG22 VAL A 154 41.436 24.565 26.309 1.00 9.65 H new ATOM 0 HG23 VAL A 154 40.303 25.413 25.600 1.00 9.65 H new ATOM 1040 N LEU A 155 37.208 25.290 26.894 1.00 5.46 N ATOM 1041 CA LEU A 155 36.078 25.343 25.990 1.00 4.08 C ATOM 1042 C LEU A 155 36.510 25.711 24.597 1.00 7.15 C ATOM 1043 O LEU A 155 37.283 26.644 24.414 1.00 5.08 O ATOM 1044 CB LEU A 155 34.980 26.290 26.521 1.00 3.50 C ATOM 1045 CG LEU A 155 33.673 26.331 25.708 1.00 6.47 C ATOM 1046 CD1 LEU A 155 32.918 24.975 25.811 1.00 6.32 C ATOM 1047 CD2 LEU A 155 32.769 27.446 26.206 1.00 6.96 C ATOM 0 H LEU A 155 37.227 25.921 27.478 1.00 5.46 H new ATOM 0 HA LEU A 155 35.692 24.454 25.944 1.00 4.08 H new ATOM 0 HB2 LEU A 155 34.766 26.030 27.431 1.00 3.50 H new ATOM 0 HB3 LEU A 155 35.344 27.188 26.560 1.00 3.50 H new ATOM 0 HG LEU A 155 33.906 26.496 24.781 1.00 6.47 H new ATOM 0 HD11 LEU A 155 32.099 25.020 25.293 1.00 6.32 H new ATOM 0 HD12 LEU A 155 33.480 24.264 25.465 1.00 6.32 H new ATOM 0 HD13 LEU A 155 32.704 24.794 26.739 1.00 6.32 H new ATOM 0 HD21 LEU A 155 31.952 27.458 25.684 1.00 6.96 H new ATOM 0 HD22 LEU A 155 32.554 27.296 27.140 1.00 6.96 H new ATOM 0 HD23 LEU A 155 33.224 28.298 26.113 1.00 6.96 H new ATOM 1048 N LYS A 156 36.046 24.919 23.626 1.00 6.37 N ATOM 1049 CA LYS A 156 36.362 25.167 22.215 1.00 5.01 C ATOM 1050 C LYS A 156 35.136 25.693 21.513 1.00 7.54 C ATOM 1051 O LYS A 156 34.026 25.395 21.927 1.00 4.98 O ATOM 1052 CB LYS A 156 36.858 23.903 21.523 1.00 6.27 C ATOM 1053 CG LYS A 156 38.191 23.376 22.072 1.00 7.89 C ATOM 1054 CD LYS A 156 39.360 24.295 21.717 1.00 15.30 C ATOM 1055 CE LYS A 156 40.674 23.789 22.237 1.00 19.12 C ATOM 1056 NZ LYS A 156 41.791 24.616 21.707 1.00 21.09 N ATOM 0 H LYS A 156 35.546 24.233 23.763 1.00 6.37 H new ATOM 0 HA LYS A 156 37.074 25.825 22.172 1.00 5.01 H new ATOM 0 HB2 LYS A 156 36.185 23.210 21.613 1.00 6.27 H new ATOM 0 HB3 LYS A 156 36.957 24.081 20.575 1.00 6.27 H new ATOM 0 HG2 LYS A 156 38.131 23.288 23.036 1.00 7.89 H new ATOM 0 HG3 LYS A 156 38.358 22.489 21.716 1.00 7.89 H new ATOM 0 HD2 LYS A 156 39.412 24.388 20.753 1.00 15.30 H new ATOM 0 HD3 LYS A 156 39.192 25.179 22.078 1.00 15.30 H new ATOM 0 HE2 LYS A 156 40.677 23.814 23.207 1.00 19.12 H new ATOM 0 HE3 LYS A 156 40.797 22.863 21.977 1.00 19.12 H new ATOM 0 HZ1 LYS A 156 42.568 24.233 21.913 1.00 21.09 H new ATOM 0 HZ2 LYS A 156 41.718 24.682 20.822 1.00 21.09 H new ATOM 0 HZ3 LYS A 156 41.756 25.429 22.068 1.00 21.09 H new ATOM 1057 N CYS A 157 35.353 26.532 20.489 1.00 6.09 N ATOM 1058 CA CYS A 157 34.306 27.213 19.749 1.00 4.81 C ATOM 1059 C CYS A 157 34.467 26.963 18.294 1.00 6.81 C ATOM 1060 O CYS A 157 35.583 26.777 17.826 1.00 6.69 O ATOM 1061 CB CYS A 157 34.391 28.709 20.012 1.00 4.34 C ATOM 1062 SG CYS A 157 33.604 29.245 21.539 1.00 6.66 S ATOM 0 H CYS A 157 36.143 26.719 20.205 1.00 6.09 H new ATOM 0 HA CYS A 157 33.444 26.876 20.038 1.00 4.81 H new ATOM 0 HB2 CYS A 157 35.325 28.969 20.034 1.00 4.34 H new ATOM 0 HB3 CYS A 157 33.983 29.180 19.269 1.00 4.34 H new ATOM 1063 N LEU A 158 33.362 27.063 17.565 1.00 4.14 N ATOM 1064 CA LEU A 158 33.362 26.953 16.128 1.00 3.48 C ATOM 1065 C LEU A 158 32.289 27.853 15.569 1.00 6.50 C ATOM 1066 O LEU A 158 31.130 27.744 15.966 1.00 7.60 O ATOM 1067 CB LEU A 158 33.075 25.496 15.676 1.00 3.72 C ATOM 1068 CG LEU A 158 33.008 25.257 14.139 1.00 7.34 C ATOM 1069 CD1 LEU A 158 34.326 25.592 13.478 1.00 4.84 C ATOM 1070 CD2 LEU A 158 32.590 23.832 13.829 1.00 6.48 C ATOM 0 H LEU A 158 32.583 27.199 17.903 1.00 4.14 H new ATOM 0 HA LEU A 158 34.238 27.212 15.801 1.00 3.48 H new ATOM 0 HB2 LEU A 158 33.763 24.921 16.045 1.00 3.72 H new ATOM 0 HB3 LEU A 158 32.232 25.216 16.066 1.00 3.72 H new ATOM 0 HG LEU A 158 32.334 25.852 13.775 1.00 7.34 H new ATOM 0 HD11 LEU A 158 34.258 25.435 12.523 1.00 4.84 H new ATOM 0 HD12 LEU A 158 34.541 26.524 13.638 1.00 4.84 H new ATOM 0 HD13 LEU A 158 35.026 25.032 13.849 1.00 4.84 H new ATOM 0 HD21 LEU A 158 32.555 23.707 12.868 1.00 6.48 H new ATOM 0 HD22 LEU A 158 33.233 23.215 14.212 1.00 6.48 H new ATOM 0 HD23 LEU A 158 31.714 23.662 14.209 1.00 6.48 H new ATOM 1071 N LYS A 159 32.670 28.713 14.629 1.00 4.75 N ATOM 1072 CA LYS A 159 31.691 29.543 13.935 1.00 4.80 C ATOM 1073 C LYS A 159 31.312 28.760 12.721 1.00 7.34 C ATOM 1074 O LYS A 159 32.180 28.316 11.949 1.00 6.49 O ATOM 1075 CB LYS A 159 32.212 30.931 13.572 1.00 5.32 C ATOM 1076 CG LYS A 159 32.291 31.778 14.814 1.00 3.99 C ATOM 1077 CD LYS A 159 32.805 33.165 14.497 1.00 8.12 C ATOM 1078 CE LYS A 159 32.980 33.898 15.815 1.00 15.18 C ATOM 1079 NZ LYS A 159 33.287 35.330 15.609 1.00 15.35 N ATOM 0 H LYS A 159 33.485 28.831 14.380 1.00 4.75 H new ATOM 0 HA LYS A 159 30.932 29.727 14.510 1.00 4.80 H new ATOM 0 HB2 LYS A 159 33.088 30.861 13.160 1.00 5.32 H new ATOM 0 HB3 LYS A 159 31.625 31.347 12.922 1.00 5.32 H new ATOM 0 HG2 LYS A 159 31.413 31.841 15.222 1.00 3.99 H new ATOM 0 HG3 LYS A 159 32.875 31.354 15.462 1.00 3.99 H new ATOM 0 HD2 LYS A 159 33.648 33.116 14.019 1.00 8.12 H new ATOM 0 HD3 LYS A 159 32.181 33.637 13.924 1.00 8.12 H new ATOM 0 HE2 LYS A 159 32.170 33.813 16.343 1.00 15.18 H new ATOM 0 HE3 LYS A 159 33.695 33.484 16.323 1.00 15.18 H new ATOM 0 HZ1 LYS A 159 33.870 35.600 16.225 1.00 15.35 H new ATOM 0 HZ2 LYS A 159 33.637 35.445 14.799 1.00 15.35 H new ATOM 0 HZ3 LYS A 159 32.539 35.807 15.679 1.00 15.35 H new ATOM 1080 N ALA A 160 30.021 28.483 12.594 1.00 7.23 N ATOM 1081 CA ALA A 160 29.596 27.641 11.476 1.00 5.91 C ATOM 1082 C ALA A 160 28.232 28.091 10.979 1.00 10.74 C ATOM 1083 O ALA A 160 27.396 28.481 11.786 1.00 9.71 O ATOM 1084 CB ALA A 160 29.466 26.203 11.974 1.00 6.31 C ATOM 0 H ALA A 160 29.396 28.757 13.117 1.00 7.23 H new ATOM 0 HA ALA A 160 30.246 27.707 10.759 1.00 5.91 H new ATOM 0 HB1 ALA A 160 29.184 25.631 11.243 1.00 6.31 H new ATOM 0 HB2 ALA A 160 30.323 25.898 12.310 1.00 6.31 H new ATOM 0 HB3 ALA A 160 28.808 26.165 12.686 1.00 6.31 H new ATOM 1085 N PRO A 161 27.973 27.940 9.666 1.00 7.72 N ATOM 1086 CA PRO A 161 26.645 28.291 9.154 1.00 6.60 C ATOM 1087 C PRO A 161 25.658 27.127 9.226 1.00 7.81 C ATOM 1088 O PRO A 161 26.039 25.954 9.127 1.00 7.98 O ATOM 1089 CB PRO A 161 26.926 28.615 7.686 1.00 7.40 C ATOM 1090 CG PRO A 161 28.034 27.664 7.317 1.00 11.52 C ATOM 1091 CD PRO A 161 28.874 27.492 8.581 1.00 8.33 C ATOM 0 HA PRO A 161 26.242 29.009 9.666 1.00 6.60 H new ATOM 0 HB2 PRO A 161 26.140 28.478 7.134 1.00 7.40 H new ATOM 0 HB3 PRO A 161 27.196 29.539 7.570 1.00 7.40 H new ATOM 0 HG2 PRO A 161 27.677 26.813 7.018 1.00 11.52 H new ATOM 0 HG3 PRO A 161 28.569 28.018 6.589 1.00 11.52 H new ATOM 0 HD2 PRO A 161 29.148 26.570 8.704 1.00 8.33 H new ATOM 0 HD3 PRO A 161 29.683 28.026 8.546 1.00 8.33 H new ATOM 1092 N ILE A 162 24.370 27.467 9.298 1.00 5.26 N ATOM 1093 CA ILE A 162 23.320 26.468 9.179 1.00 4.96 C ATOM 1094 C ILE A 162 23.280 26.091 7.704 1.00 9.19 C ATOM 1095 O ILE A 162 23.429 26.965 6.850 1.00 8.85 O ATOM 1096 CB ILE A 162 21.972 27.025 9.654 1.00 6.51 C ATOM 1097 CG1 ILE A 162 22.013 27.333 11.176 1.00 7.05 C ATOM 1098 CG2 ILE A 162 20.812 26.077 9.264 1.00 7.10 C ATOM 1099 CD1 ILE A 162 20.701 27.810 11.771 1.00 12.07 C ATOM 0 H ILE A 162 24.088 28.271 9.415 1.00 5.26 H new ATOM 0 HA ILE A 162 23.497 25.694 9.736 1.00 4.96 H new ATOM 0 HB ILE A 162 21.803 27.866 9.201 1.00 6.51 H new ATOM 0 HG12 ILE A 162 22.294 26.533 11.647 1.00 7.05 H new ATOM 0 HG13 ILE A 162 22.690 28.009 11.337 1.00 7.05 H new ATOM 0 HG21 ILE A 162 19.972 26.449 9.574 1.00 7.10 H new ATOM 0 HG22 ILE A 162 20.785 25.978 8.299 1.00 7.10 H new ATOM 0 HG23 ILE A 162 20.952 25.209 9.674 1.00 7.10 H new ATOM 0 HD11 ILE A 162 20.817 27.977 12.719 1.00 12.07 H new ATOM 0 HD12 ILE A 162 20.424 28.628 11.330 1.00 12.07 H new ATOM 0 HD13 ILE A 162 20.022 27.129 11.644 1.00 12.07 H new ATOM 1100 N LEU A 163 23.151 24.789 7.418 1.00 5.68 N ATOM 1101 CA LEU A 163 23.101 24.295 6.061 1.00 6.62 C ATOM 1102 C LEU A 163 21.654 24.153 5.626 1.00 10.04 C ATOM 1103 O LEU A 163 20.743 24.001 6.460 1.00 10.36 O ATOM 1104 CB LEU A 163 23.875 22.981 5.945 1.00 6.79 C ATOM 1105 CG LEU A 163 25.391 23.100 6.288 1.00 9.08 C ATOM 1106 CD1 LEU A 163 26.078 21.757 6.185 1.00 9.38 C ATOM 1107 CD2 LEU A 163 26.110 24.022 5.323 1.00 10.81 C ATOM 0 H LEU A 163 23.091 24.175 8.017 1.00 5.68 H new ATOM 0 HA LEU A 163 23.529 24.928 5.463 1.00 6.62 H new ATOM 0 HB2 LEU A 163 23.471 22.326 6.535 1.00 6.79 H new ATOM 0 HB3 LEU A 163 23.784 22.642 5.041 1.00 6.79 H new ATOM 0 HG LEU A 163 25.434 23.448 7.192 1.00 9.08 H new ATOM 0 HD11 LEU A 163 27.018 21.857 6.402 1.00 9.38 H new ATOM 0 HD12 LEU A 163 25.667 21.135 6.805 1.00 9.38 H new ATOM 0 HD13 LEU A 163 25.990 21.417 5.281 1.00 9.38 H new ATOM 0 HD21 LEU A 163 27.048 24.074 5.563 1.00 10.81 H new ATOM 0 HD22 LEU A 163 26.026 23.675 4.421 1.00 10.81 H new ATOM 0 HD23 LEU A 163 25.716 24.907 5.366 1.00 10.81 H new ATOM 1108 N SER A 164 21.431 24.212 4.311 1.00 7.36 N ATOM 1109 CA SER A 164 20.086 24.068 3.769 1.00 6.96 C ATOM 1110 C SER A 164 19.528 22.699 4.111 1.00 10.88 C ATOM 1111 O SER A 164 20.281 21.730 4.201 1.00 9.77 O ATOM 1112 CB SER A 164 20.119 24.230 2.252 1.00 10.39 C ATOM 1113 OG SER A 164 20.822 23.137 1.695 1.00 9.46 O ATOM 0 H SER A 164 22.045 24.334 3.721 1.00 7.36 H new ATOM 0 HA SER A 164 19.520 24.752 4.159 1.00 6.96 H new ATOM 0 HB2 SER A 164 19.217 24.265 1.898 1.00 10.39 H new ATOM 0 HB3 SER A 164 20.551 25.065 2.012 1.00 10.39 H new ATOM 0 HG SER A 164 20.969 23.283 0.881 1.00 9.46 H new ATOM 1114 N ASP A 165 18.194 22.613 4.251 1.00 9.60 N ATOM 1115 CA ASP A 165 17.524 21.340 4.483 1.00 9.59 C ATOM 1116 C ASP A 165 17.877 20.320 3.374 1.00 13.23 C ATOM 1117 O ASP A 165 18.127 19.146 3.666 1.00 11.37 O ATOM 1118 CB ASP A 165 16.010 21.561 4.533 1.00 11.75 C ATOM 1119 CG ASP A 165 15.257 20.299 4.907 1.00 22.97 C ATOM 1120 OD1 ASP A 165 15.657 19.634 5.909 1.00 21.91 O ATOM 1121 OD2 ASP A 165 14.292 19.953 4.189 1.00 23.05 O ATOM 0 H ASP A 165 17.664 23.290 4.213 1.00 9.60 H new ATOM 0 HA ASP A 165 17.827 20.979 5.331 1.00 9.59 H new ATOM 0 HB2 ASP A 165 15.808 22.258 5.176 1.00 11.75 H new ATOM 0 HB3 ASP A 165 15.702 21.875 3.668 1.00 11.75 H new ATOM 1122 N SER A 166 17.924 20.788 2.112 1.00 10.32 N ATOM 1123 CA ASER A 166 18.238 19.916 0.980 0.50 10.02 C ATOM 1124 CA BSER A 166 18.258 19.964 0.943 0.50 10.39 C ATOM 1125 C SER A 166 19.652 19.342 1.084 1.00 12.24 C ATOM 1126 O SER A 166 19.801 18.142 0.892 1.00 11.85 O ATOM 1127 CB ASER A 166 18.004 20.623 -0.353 0.50 13.78 C ATOM 1128 CB BSER A 166 18.171 20.791 -0.340 0.50 15.15 C ATOM 1129 OG ASER A 166 18.922 21.684 -0.550 0.50 14.00 O ATOM 1130 OG BSER A 166 18.751 20.100 -1.434 0.50 20.17 O ATOM 0 H ASER A 166 17.776 21.608 1.898 0.50 10.32 H new ATOM 0 H BSER A 166 17.759 21.608 1.914 0.50 10.32 H new ATOM 0 HA ASER A 166 17.626 19.164 1.014 0.50 10.39 H new ATOM 0 HA BSER A 166 17.611 19.243 0.893 0.50 10.39 H new ATOM 0 HB2ASER A 166 18.087 19.984 -1.078 0.50 15.15 H new ATOM 0 HB2BSER A 166 17.243 20.992 -0.536 0.50 15.15 H new ATOM 0 HB3ASER A 166 17.098 20.969 -0.382 0.50 15.15 H new ATOM 0 HB3BSER A 166 18.624 21.639 -0.213 0.50 15.15 H new ATOM 0 HG ASER A 166 19.225 21.934 0.192 0.50 20.17 H new ATOM 0 HG BSER A 166 18.691 20.571 -2.127 0.50 20.17 H new ATOM 1131 N SER A 167 20.686 20.170 1.429 1.00 8.69 N ATOM 1132 CA ASER A 167 22.045 19.637 1.560 0.50 8.13 C ATOM 1133 CA BSER A 167 22.060 19.674 1.598 0.50 7.92 C ATOM 1134 C SER A 167 22.135 18.700 2.772 1.00 9.80 C ATOM 1135 O SER A 167 22.859 17.717 2.716 1.00 7.76 O ATOM 1136 CB ASER A 167 23.081 20.751 1.667 0.50 12.16 C ATOM 1137 CB BSER A 167 23.031 20.823 1.849 0.50 11.04 C ATOM 1138 OG ASER A 167 22.878 21.547 2.821 0.50 17.90 O ATOM 1139 OG BSER A 167 23.263 21.565 0.665 0.50 14.17 O ATOM 0 H ASER A 167 20.608 21.013 1.583 0.50 8.69 H new ATOM 0 H BSER A 167 20.597 21.014 1.565 0.50 8.69 H new ATOM 0 HA ASER A 167 22.243 19.132 0.756 0.50 7.92 H new ATOM 0 HA BSER A 167 22.309 19.220 0.778 0.50 7.92 H new ATOM 0 HB2ASER A 167 23.970 20.365 1.693 0.50 11.04 H new ATOM 0 HB2BSER A 167 22.674 21.408 2.535 0.50 11.04 H new ATOM 0 HB3ASER A 167 23.037 21.311 0.876 0.50 11.04 H new ATOM 0 HB3BSER A 167 23.871 20.473 2.184 0.50 11.04 H new ATOM 0 HG ASER A 167 22.272 22.109 2.671 0.50 14.17 H new ATOM 0 HG BSER A 167 22.786 22.256 0.669 0.50 14.17 H new ATOM 1140 N CYS A 168 21.377 18.988 3.841 1.00 7.43 N ATOM 1141 CA CYS A 168 21.355 18.160 5.048 1.00 6.55 C ATOM 1142 C CYS A 168 20.796 16.776 4.713 1.00 9.98 C ATOM 1143 O CYS A 168 21.427 15.745 4.988 1.00 8.16 O ATOM 1144 CB CYS A 168 20.540 18.847 6.138 1.00 5.54 C ATOM 1145 SG CYS A 168 20.754 18.105 7.768 1.00 7.60 S ATOM 0 H CYS A 168 20.860 19.674 3.882 1.00 7.43 H new ATOM 0 HA CYS A 168 22.258 18.046 5.383 1.00 6.55 H new ATOM 0 HB2 CYS A 168 20.793 19.783 6.180 1.00 5.54 H new ATOM 0 HB3 CYS A 168 19.601 18.817 5.897 1.00 5.54 H new ATOM 1146 N LYS A 169 19.627 16.765 4.069 1.00 8.44 N ATOM 1147 CA LYS A 169 18.971 15.547 3.593 1.00 8.31 C ATOM 1148 C LYS A 169 19.820 14.772 2.589 1.00 11.31 C ATOM 1149 O LYS A 169 19.848 13.547 2.667 1.00 11.02 O ATOM 1150 CB LYS A 169 17.578 15.859 3.048 1.00 10.35 C ATOM 1151 CG LYS A 169 16.617 16.260 4.145 1.00 11.39 C ATOM 1152 CD LYS A 169 15.269 16.596 3.621 1.00 13.32 C ATOM 1153 CE LYS A 169 14.320 16.729 4.771 0.50 14.82 C ATOM 1154 NZ LYS A 169 13.066 17.422 4.379 0.50 13.52 N ATOM 0 H LYS A 169 19.185 17.481 3.894 1.00 8.44 H new ATOM 0 HA LYS A 169 18.868 14.960 4.358 1.00 8.31 H new ATOM 0 HB2 LYS A 169 17.640 16.574 2.396 1.00 10.35 H new ATOM 0 HB3 LYS A 169 17.231 15.081 2.584 1.00 10.35 H new ATOM 0 HG2 LYS A 169 16.541 15.536 4.786 1.00 11.39 H new ATOM 0 HG3 LYS A 169 16.976 17.025 4.622 1.00 11.39 H new ATOM 0 HD2 LYS A 169 15.302 17.424 3.116 1.00 13.32 H new ATOM 0 HD3 LYS A 169 14.964 15.905 3.013 1.00 13.32 H new ATOM 0 HE2 LYS A 169 14.107 15.848 5.118 0.50 14.82 H new ATOM 0 HE3 LYS A 169 14.749 17.220 5.489 0.50 14.82 H new ATOM 0 HZ1 LYS A 169 12.462 17.331 5.026 0.50 13.52 H new ATOM 0 HZ2 LYS A 169 13.233 18.286 4.248 0.50 13.52 H new ATOM 0 HZ3 LYS A 169 12.751 17.064 3.627 0.50 13.52 H new ATOM 1155 N ASER A 170 20.541 15.463 1.686 0.50 9.10 N ATOM 1156 N BSER A 170 20.535 15.469 1.689 0.50 9.69 N ATOM 1157 CA ASER A 170 21.413 14.794 0.710 0.50 9.14 C ATOM 1158 CA BSER A 170 21.411 14.826 0.707 0.50 10.06 C ATOM 1159 C ASER A 170 22.614 14.122 1.404 0.50 12.68 C ATOM 1160 C BSER A 170 22.608 14.137 1.398 0.50 13.11 C ATOM 1161 O ASER A 170 23.022 13.035 1.001 0.50 14.08 O ATOM 1162 O BSER A 170 23.004 13.051 0.986 0.50 14.48 O ATOM 1163 CB ASER A 170 21.892 15.775 -0.356 0.50 11.15 C ATOM 1164 CB BSER A 170 21.894 15.840 -0.327 0.50 13.42 C ATOM 1165 OG ASER A 170 20.796 16.383 -1.017 0.50 13.94 O ATOM 1166 OG BSER A 170 22.664 15.224 -1.344 0.50 21.10 O ATOM 0 H ASER A 170 20.536 16.321 1.626 0.50 9.69 H new ATOM 0 H BSER A 170 20.522 16.327 1.635 0.50 9.69 H new ATOM 0 HA ASER A 170 20.890 14.102 0.276 0.50 10.06 H new ATOM 0 HA BSER A 170 20.898 14.142 0.249 0.50 10.06 H new ATOM 0 HB2ASER A 170 22.446 16.458 0.054 0.50 13.42 H new ATOM 0 HB2BSER A 170 21.130 16.286 -0.725 0.50 13.42 H new ATOM 0 HB3ASER A 170 22.446 15.310 -1.002 0.50 13.42 H new ATOM 0 HB3BSER A 170 22.425 16.523 0.112 0.50 13.42 H new ATOM 0 HG ASER A 170 20.516 17.029 -0.559 0.50 21.10 H new ATOM 0 HG BSER A 170 22.914 15.805 -1.897 0.50 21.10 H new ATOM 1167 N ALA A 171 23.142 14.750 2.472 1.00 8.55 N ATOM 1168 CA ALA A 171 24.255 14.239 3.266 1.00 7.81 C ATOM 1169 C ALA A 171 23.825 13.023 4.067 1.00 9.26 C ATOM 1170 O ALA A 171 24.633 12.139 4.297 1.00 8.62 O ATOM 1171 CB ALA A 171 24.734 15.314 4.230 1.00 8.20 C ATOM 0 H AALA A 171 22.847 15.507 2.755 0.50 8.55 H new ATOM 0 H BALA A 171 22.847 15.504 2.761 0.50 8.55 H new ATOM 0 HA ALA A 171 24.971 13.988 2.661 1.00 7.81 H new ATOM 0 HB1 ALA A 171 25.473 14.971 4.756 1.00 8.20 H new ATOM 0 HB2 ALA A 171 25.027 16.091 3.729 1.00 8.20 H new ATOM 0 HB3 ALA A 171 24.007 15.566 4.821 1.00 8.20 H new ATOM 1172 N TYR A 172 22.570 13.030 4.551 1.00 6.62 N ATOM 1173 CA TYR A 172 22.032 11.975 5.397 1.00 6.23 C ATOM 1174 C TYR A 172 20.683 11.491 4.863 1.00 11.03 C ATOM 1175 O TYR A 172 19.627 11.764 5.465 1.00 9.37 O ATOM 1176 CB TYR A 172 21.922 12.447 6.855 1.00 6.17 C ATOM 1177 CG TYR A 172 23.243 12.816 7.494 1.00 6.21 C ATOM 1178 CD1 TYR A 172 24.059 11.840 8.070 1.00 6.96 C ATOM 1179 CD2 TYR A 172 23.630 14.151 7.624 1.00 6.65 C ATOM 1180 CE1 TYR A 172 25.232 12.182 8.747 1.00 9.06 C ATOM 1181 CE2 TYR A 172 24.822 14.501 8.265 1.00 8.07 C ATOM 1182 CZ TYR A 172 25.600 13.515 8.856 1.00 9.97 C ATOM 1183 OH TYR A 172 26.766 13.832 9.501 1.00 7.88 O ATOM 0 H TYR A 172 22.008 13.661 4.389 1.00 6.62 H new ATOM 0 HA TYR A 172 22.645 11.224 5.378 1.00 6.23 H new ATOM 0 HB2 TYR A 172 21.332 13.216 6.891 1.00 6.17 H new ATOM 0 HB3 TYR A 172 21.506 11.745 7.380 1.00 6.17 H new ATOM 0 HD1 TYR A 172 23.817 10.945 8.002 1.00 6.96 H new ATOM 0 HD2 TYR A 172 23.085 14.820 7.278 1.00 6.65 H new ATOM 0 HE1 TYR A 172 25.764 11.519 9.123 1.00 9.06 H new ATOM 0 HE2 TYR A 172 25.092 15.390 8.295 1.00 8.07 H new ATOM 0 HH TYR A 172 26.773 14.653 9.680 1.00 7.88 H new ATOM 1184 N PRO A 173 20.694 10.755 3.721 1.00 8.68 N ATOM 1185 CA PRO A 173 19.415 10.276 3.170 1.00 8.90 C ATOM 1186 C PRO A 173 18.603 9.484 4.198 1.00 9.69 C ATOM 1187 O PRO A 173 19.148 8.668 4.952 1.00 8.71 O ATOM 1188 CB PRO A 173 19.818 9.395 1.975 1.00 10.71 C ATOM 1189 CG PRO A 173 21.244 9.585 1.776 1.00 13.47 C ATOM 1190 CD PRO A 173 21.843 10.362 2.879 1.00 9.71 C ATOM 0 HA PRO A 173 18.838 11.012 2.911 1.00 8.90 H new ATOM 0 HB2 PRO A 173 19.616 8.463 2.151 1.00 10.71 H new ATOM 0 HB3 PRO A 173 19.323 9.647 1.180 1.00 10.71 H new ATOM 0 HG2 PRO A 173 21.681 8.721 1.712 1.00 13.47 H new ATOM 0 HG3 PRO A 173 21.397 10.044 0.935 1.00 13.47 H new ATOM 0 HD2 PRO A 173 22.482 9.831 3.379 1.00 9.71 H new ATOM 0 HD3 PRO A 173 22.319 11.139 2.546 1.00 9.71 H new ATOM 1191 N GLY A 174 17.317 9.820 4.270 1.00 8.10 N ATOM 1192 CA GLY A 174 16.332 9.182 5.133 1.00 9.76 C ATOM 1193 C GLY A 174 16.488 9.338 6.632 1.00 12.26 C ATOM 1194 O GLY A 174 15.770 8.673 7.394 1.00 11.36 O ATOM 0 H GLY A 174 16.982 10.454 3.795 1.00 8.10 H new ATOM 0 HA2 GLY A 174 15.458 9.524 4.889 1.00 9.76 H new ATOM 0 HA3 GLY A 174 16.332 8.233 4.932 1.00 9.76 H new ATOM 1195 N GLN A 175 17.359 10.265 7.077 1.00 7.05 N ATOM 1196 CA GLN A 175 17.632 10.466 8.507 1.00 5.27 C ATOM 1197 C GLN A 175 17.254 11.830 9.085 1.00 7.56 C ATOM 1198 O GLN A 175 17.272 11.986 10.307 1.00 8.21 O ATOM 1199 CB GLN A 175 19.102 10.203 8.822 1.00 5.34 C ATOM 1200 CG GLN A 175 19.498 8.742 8.615 1.00 12.39 C ATOM 1201 CD GLN A 175 20.743 8.453 9.389 1.00 26.17 C ATOM 1202 OE1 GLN A 175 21.835 8.637 8.894 1.00 12.30 O ATOM 1203 NE2 GLN A 175 20.601 8.087 10.664 1.00 23.56 N ATOM 0 H GLN A 175 17.802 10.789 6.558 1.00 7.05 H new ATOM 0 HA GLN A 175 17.047 9.822 8.936 1.00 5.27 H new ATOM 0 HB2 GLN A 175 19.655 10.767 8.259 1.00 5.34 H new ATOM 0 HB3 GLN A 175 19.282 10.456 9.741 1.00 5.34 H new ATOM 0 HG2 GLN A 175 18.781 8.157 8.906 1.00 12.39 H new ATOM 0 HG3 GLN A 175 19.643 8.566 7.672 1.00 12.39 H new ATOM 0 HE21 GLN A 175 19.815 7.963 10.991 1.00 23.56 H new ATOM 0 HE22 GLN A 175 21.295 7.975 11.159 1.00 23.56 H new ATOM 1204 N ILE A 176 17.046 12.836 8.248 1.00 4.97 N ATOM 1205 CA ILE A 176 16.800 14.191 8.758 1.00 4.47 C ATOM 1206 C ILE A 176 15.321 14.448 8.908 1.00 9.09 C ATOM 1207 O ILE A 176 14.575 14.444 7.934 1.00 8.84 O ATOM 1208 CB ILE A 176 17.518 15.230 7.852 1.00 6.71 C ATOM 1209 CG1 ILE A 176 19.042 14.867 7.658 1.00 7.08 C ATOM 1210 CG2 ILE A 176 17.297 16.693 8.345 1.00 7.97 C ATOM 1211 CD1 ILE A 176 19.884 14.726 9.031 1.00 6.86 C ATOM 0 H ILE A 176 17.042 12.764 7.391 1.00 4.97 H new ATOM 0 HA ILE A 176 17.176 14.281 9.648 1.00 4.47 H new ATOM 0 HB ILE A 176 17.109 15.185 6.974 1.00 6.71 H new ATOM 0 HG12 ILE A 176 19.103 14.032 7.168 1.00 7.08 H new ATOM 0 HG13 ILE A 176 19.457 15.549 7.107 1.00 7.08 H new ATOM 0 HG21 ILE A 176 17.760 17.307 7.754 1.00 7.97 H new ATOM 0 HG22 ILE A 176 16.348 16.896 8.343 1.00 7.97 H new ATOM 0 HG23 ILE A 176 17.645 16.787 9.246 1.00 7.97 H new ATOM 0 HD11 ILE A 176 20.805 14.503 8.824 1.00 6.86 H new ATOM 0 HD12 ILE A 176 19.856 15.566 9.516 1.00 6.86 H new ATOM 0 HD13 ILE A 176 19.497 14.025 9.578 1.00 6.86 H new ATOM 1212 N THR A 177 14.881 14.689 10.139 1.00 6.24 N ATOM 1213 CA THR A 177 13.479 14.979 10.363 1.00 5.40 C ATOM 1214 C THR A 177 13.270 16.493 10.383 1.00 7.68 C ATOM 1215 O THR A 177 14.238 17.245 10.314 1.00 7.68 O ATOM 1216 CB THR A 177 13.014 14.363 11.667 1.00 10.64 C ATOM 1217 OG1 THR A 177 13.588 15.114 12.743 1.00 7.03 O ATOM 1218 CG2 THR A 177 13.350 12.887 11.766 1.00 10.02 C ATOM 0 H THR A 177 15.372 14.689 10.845 1.00 6.24 H new ATOM 0 HA THR A 177 12.955 14.595 9.643 1.00 5.40 H new ATOM 0 HB THR A 177 12.046 14.407 11.713 1.00 10.64 H new ATOM 0 HG1 THR A 177 13.360 14.773 13.476 1.00 7.03 H new ATOM 0 HG21 THR A 177 13.034 12.539 12.614 1.00 10.02 H new ATOM 0 HG22 THR A 177 12.921 12.408 11.040 1.00 10.02 H new ATOM 0 HG23 THR A 177 14.311 12.769 11.707 1.00 10.02 H new ATOM 1219 N SER A 178 12.030 16.927 10.550 1.00 6.48 N ATOM 1220 CA SER A 178 11.717 18.353 10.609 1.00 5.27 C ATOM 1221 C SER A 178 12.236 18.953 11.922 1.00 6.92 C ATOM 1222 O SER A 178 12.171 20.155 12.113 1.00 8.72 O ATOM 1223 CB SER A 178 10.200 18.555 10.504 1.00 7.95 C ATOM 1224 OG SER A 178 9.549 17.773 11.491 0.40 4.36 O ATOM 0 H SER A 178 11.348 16.410 10.632 1.00 6.48 H new ATOM 0 HA SER A 178 12.150 18.803 9.867 1.00 5.27 H new ATOM 0 HB2 SER A 178 9.980 19.492 10.623 1.00 7.95 H new ATOM 0 HB3 SER A 178 9.891 18.301 9.620 1.00 7.95 H new ATOM 0 HG SER A 178 9.266 18.273 12.103 0.40 4.36 H new ATOM 1225 N ASN A 179 12.752 18.124 12.818 1.00 6.06 N ATOM 1226 CA ASN A 179 13.274 18.578 14.107 1.00 6.15 C ATOM 1227 C ASN A 179 14.787 18.613 14.151 1.00 9.31 C ATOM 1228 O ASN A 179 15.371 18.665 15.233 1.00 6.79 O ATOM 1229 CB ASN A 179 12.772 17.664 15.209 1.00 7.21 C ATOM 1230 CG ASN A 179 11.280 17.686 15.295 1.00 9.07 C ATOM 1231 OD1 ASN A 179 10.655 18.747 15.328 1.00 7.73 O ATOM 1232 ND2 ASN A 179 10.698 16.522 15.259 1.00 8.55 N ATOM 0 H ASN A 179 12.811 17.275 12.698 1.00 6.06 H new ATOM 0 HA ASN A 179 12.956 19.485 14.235 1.00 6.15 H new ATOM 0 HB2 ASN A 179 13.075 16.758 15.044 1.00 7.21 H new ATOM 0 HB3 ASN A 179 13.151 17.939 16.058 1.00 7.21 H new ATOM 0 HD21 ASN A 179 9.840 16.470 15.258 1.00 8.55 H new ATOM 0 HD22 ASN A 179 11.172 15.805 15.237 1.00 8.55 H new ATOM 1233 N MET A 180 15.416 18.575 12.966 1.00 5.56 N ATOM 1234 CA MET A 180 16.872 18.559 12.847 1.00 3.00 C ATOM 1235 C MET A 180 17.328 19.530 11.786 1.00 8.75 C ATOM 1236 O MET A 180 16.637 19.732 10.789 1.00 7.37 O ATOM 1237 CB MET A 180 17.309 17.152 12.392 1.00 4.95 C ATOM 1238 CG MET A 180 17.015 16.090 13.418 1.00 7.13 C ATOM 1239 SD MET A 180 17.387 14.501 12.658 1.00 7.26 S ATOM 1240 CE MET A 180 16.712 13.372 13.870 1.00 6.56 C ATOM 0 H MET A 180 15.004 18.558 12.211 1.00 5.56 H new ATOM 0 HA MET A 180 17.256 18.800 13.704 1.00 3.00 H new ATOM 0 HB2 MET A 180 16.857 16.929 11.563 1.00 4.95 H new ATOM 0 HB3 MET A 180 18.260 17.159 12.203 1.00 4.95 H new ATOM 0 HG2 MET A 180 17.554 16.224 14.214 1.00 7.13 H new ATOM 0 HG3 MET A 180 16.086 16.128 13.695 1.00 7.13 H new ATOM 0 HE1 MET A 180 17.411 12.777 14.183 1.00 6.56 H new ATOM 0 HE2 MET A 180 16.357 13.876 14.619 1.00 6.56 H new ATOM 0 HE3 MET A 180 16.001 12.851 13.466 1.00 6.56 H new ATOM 1241 N PHE A 181 18.536 20.058 11.956 1.00 4.61 N ATOM 1242 CA PHE A 181 19.192 20.819 10.891 1.00 5.08 C ATOM 1243 C PHE A 181 20.668 20.495 10.934 1.00 7.33 C ATOM 1244 O PHE A 181 21.181 20.071 11.976 1.00 6.02 O ATOM 1245 CB PHE A 181 18.912 22.335 10.979 1.00 5.94 C ATOM 1246 CG PHE A 181 19.545 23.041 12.154 1.00 5.30 C ATOM 1247 CD1 PHE A 181 20.855 23.490 12.090 1.00 6.06 C ATOM 1248 CD2 PHE A 181 18.824 23.261 13.332 1.00 7.62 C ATOM 1249 CE1 PHE A 181 21.450 24.118 13.179 1.00 6.26 C ATOM 1250 CE2 PHE A 181 19.431 23.879 14.436 1.00 8.78 C ATOM 1251 CZ PHE A 181 20.719 24.347 14.335 1.00 7.11 C ATOM 0 H PHE A 181 18.995 19.988 12.680 1.00 4.61 H new ATOM 0 HA PHE A 181 18.825 20.557 10.032 1.00 5.08 H new ATOM 0 HB2 PHE A 181 19.224 22.755 10.162 1.00 5.94 H new ATOM 0 HB3 PHE A 181 17.952 22.470 11.018 1.00 5.94 H new ATOM 0 HD1 PHE A 181 21.343 23.370 11.308 1.00 6.06 H new ATOM 0 HD2 PHE A 181 17.934 22.995 13.384 1.00 7.62 H new ATOM 0 HE1 PHE A 181 22.340 24.385 13.132 1.00 6.26 H new ATOM 0 HE2 PHE A 181 18.963 23.972 15.234 1.00 8.78 H new ATOM 0 HZ PHE A 181 21.100 24.817 15.041 1.00 7.11 H new ATOM 1252 N CYS A 182 21.353 20.675 9.793 1.00 5.04 N ATOM 1253 CA CYS A 182 22.789 20.484 9.674 1.00 4.36 C ATOM 1254 C CYS A 182 23.413 21.839 9.830 1.00 7.89 C ATOM 1255 O CYS A 182 22.834 22.861 9.444 1.00 6.39 O ATOM 1256 CB CYS A 182 23.146 19.896 8.323 1.00 4.41 C ATOM 1257 SG CYS A 182 22.746 18.142 8.154 1.00 7.25 S ATOM 0 H CYS A 182 20.979 20.916 9.057 1.00 5.04 H new ATOM 0 HA CYS A 182 23.111 19.865 10.348 1.00 4.36 H new ATOM 0 HB2 CYS A 182 22.680 20.392 7.632 1.00 4.41 H new ATOM 0 HB3 CYS A 182 24.096 20.018 8.169 1.00 4.41 H new ATOM 1258 N ALA A 183 24.615 21.841 10.372 1.00 6.58 N ATOM 1259 CA ALA A 183 25.389 23.059 10.409 1.00 4.37 C ATOM 1260 C ALA A 183 26.808 22.649 10.279 1.00 7.81 C ATOM 1261 O ALA A 183 27.192 21.549 10.677 1.00 7.49 O ATOM 1262 CB ALA A 183 25.173 23.855 11.690 1.00 4.61 C ATOM 0 H ALA A 183 24.997 21.154 10.721 1.00 6.58 H new ATOM 0 HA ALA A 183 25.113 23.649 9.690 1.00 4.37 H new ATOM 0 HB1 ALA A 183 25.713 24.660 11.666 1.00 4.61 H new ATOM 0 HB2 ALA A 183 24.237 24.096 11.767 1.00 4.61 H new ATOM 0 HB3 ALA A 183 25.432 23.316 12.454 1.00 4.61 H new ATOM 1263 N GLY A 184 27.584 23.511 9.674 1.00 5.12 N ATOM 1264 CA GLY A 184 28.988 23.194 9.529 1.00 4.82 C ATOM 1265 C GLY A 184 29.451 23.356 8.111 1.00 8.56 C ATOM 1266 O GLY A 184 29.078 24.316 7.433 1.00 7.42 O ATOM 0 H GLY A 184 27.334 24.266 9.347 1.00 5.12 H new ATOM 0 HA2 GLY A 184 29.511 23.770 10.108 1.00 4.82 H new ATOM 0 HA3 GLY A 184 29.145 22.282 9.819 1.00 4.82 H new ATOM 1267 N TYR A 184A 30.346 22.444 7.698 1.00 8.21 N ATOM 1268 CA TYR A 184A 31.024 22.544 6.421 1.00 8.87 C ATOM 1269 C TYR A 184A 31.001 21.233 5.701 1.00 12.04 C ATOM 1270 O TYR A 184A 31.519 20.252 6.217 1.00 12.81 O ATOM 1271 CB TYR A 184A 32.472 23.002 6.699 1.00 9.06 C ATOM 1272 CG TYR A 184A 32.496 24.347 7.387 1.00 9.02 C ATOM 1273 CD1 TYR A 184A 32.480 25.527 6.646 1.00 10.93 C ATOM 1274 CD2 TYR A 184A 32.402 24.446 8.777 1.00 8.74 C ATOM 1275 CE1 TYR A 184A 32.464 26.770 7.269 1.00 10.66 C ATOM 1276 CE2 TYR A 184A 32.361 25.686 9.411 1.00 9.31 C ATOM 1277 CZ TYR A 184A 32.402 26.845 8.649 1.00 12.69 C ATOM 1278 OH TYR A 184A 32.352 28.091 9.213 1.00 10.81 O ATOM 0 H TYR A 184A 30.569 21.754 8.160 1.00 8.21 H new ATOM 0 HA TYR A 184A 30.575 23.185 5.848 1.00 8.87 H new ATOM 0 HB2 TYR A 184A 32.921 22.344 7.253 1.00 9.06 H new ATOM 0 HB3 TYR A 184A 32.964 23.054 5.864 1.00 9.06 H new ATOM 0 HD1 TYR A 184A 32.480 25.482 5.717 1.00 10.93 H new ATOM 0 HD2 TYR A 184A 32.366 23.670 9.289 1.00 8.74 H new ATOM 0 HE1 TYR A 184A 32.495 27.548 6.760 1.00 10.66 H new ATOM 0 HE2 TYR A 184A 32.307 25.737 10.338 1.00 9.31 H new ATOM 0 HH TYR A 184A 32.357 28.020 10.050 1.00 10.81 H new ATOM 1279 N LEU A 185 30.435 21.221 4.501 1.00 8.92 N ATOM 1280 CA LEU A 185 30.370 20.019 3.671 1.00 9.15 C ATOM 1281 C LEU A 185 31.770 19.574 3.215 1.00 12.77 C ATOM 1282 O LEU A 185 31.983 18.383 3.023 1.00 12.24 O ATOM 1283 CB LEU A 185 29.425 20.237 2.477 1.00 8.89 C ATOM 1284 CG LEU A 185 27.932 20.464 2.793 1.00 13.47 C ATOM 1285 CD1 LEU A 185 27.163 20.732 1.517 1.00 14.14 C ATOM 1286 CD2 LEU A 185 27.308 19.252 3.556 1.00 13.53 C ATOM 0 H LEU A 185 30.075 21.914 4.140 1.00 8.92 H new ATOM 0 HA LEU A 185 30.007 19.299 4.210 1.00 9.15 H new ATOM 0 HB2 LEU A 185 29.746 21.003 1.975 1.00 8.89 H new ATOM 0 HB3 LEU A 185 29.495 19.466 1.893 1.00 8.89 H new ATOM 0 HG LEU A 185 27.869 21.238 3.374 1.00 13.47 H new ATOM 0 HD11 LEU A 185 26.227 20.873 1.727 1.00 14.14 H new ATOM 0 HD12 LEU A 185 27.520 21.523 1.084 1.00 14.14 H new ATOM 0 HD13 LEU A 185 27.249 19.971 0.921 1.00 14.14 H new ATOM 0 HD21 LEU A 185 26.372 19.430 3.737 1.00 13.53 H new ATOM 0 HD22 LEU A 185 27.385 18.453 3.012 1.00 13.53 H new ATOM 0 HD23 LEU A 185 27.779 19.119 4.394 1.00 13.53 H new ATOM 1287 N GLU A 186 32.752 20.506 3.162 1.00 10.81 N ATOM 1288 CA GLU A 186 34.128 20.143 2.807 1.00 10.98 C ATOM 1289 C GLU A 186 34.802 19.406 3.973 1.00 16.97 C ATOM 1290 O GLU A 186 35.816 18.748 3.764 1.00 16.73 O ATOM 1291 CB GLU A 186 34.950 21.383 2.401 1.00 12.76 C ATOM 1292 CG GLU A 186 34.605 21.911 1.015 0.50 24.82 C ATOM 1293 CD GLU A 186 35.498 23.003 0.449 0.50 53.16 C ATOM 1294 OE1 GLU A 186 36.029 23.823 1.235 0.50 49.06 O ATOM 1295 OE2 GLU A 186 35.634 23.059 -0.795 0.50 49.36 O ATOM 0 H GLU A 186 32.634 21.342 3.328 1.00 10.81 H new ATOM 0 HA GLU A 186 34.093 19.550 2.040 1.00 10.98 H new ATOM 0 HB2 GLU A 186 34.805 22.086 3.053 1.00 12.76 H new ATOM 0 HB3 GLU A 186 35.894 21.160 2.429 1.00 12.76 H new ATOM 0 HG2 GLU A 186 34.615 21.163 0.397 0.50 24.82 H new ATOM 0 HG3 GLU A 186 33.696 22.248 1.039 0.50 24.82 H new ATOM 1296 N GLY A 187 34.196 19.481 5.162 1.00 13.91 N ATOM 1297 CA GLY A 187 34.691 18.846 6.376 1.00 13.33 C ATOM 1298 C GLY A 187 35.760 19.694 7.029 1.00 14.98 C ATOM 1299 O GLY A 187 35.904 20.878 6.702 1.00 16.92 O ATOM 0 H GLY A 187 33.464 19.917 5.282 1.00 13.91 H new ATOM 0 HA2 GLY A 187 33.958 18.709 6.996 1.00 13.33 H new ATOM 0 HA3 GLY A 187 35.051 17.971 6.164 1.00 13.33 H new ATOM 1300 N GLY A 188 36.508 19.093 7.945 1.00 9.17 N ATOM 1301 CA GLY A 188 37.572 19.771 8.671 1.00 9.69 C ATOM 1302 C GLY A 188 37.146 20.555 9.893 1.00 10.49 C ATOM 1303 O GLY A 188 37.969 20.789 10.768 1.00 8.84 O ATOM 0 H GLY A 188 36.410 18.268 8.165 1.00 9.17 H new ATOM 0 HA2 GLY A 188 38.225 19.109 8.945 1.00 9.69 H new ATOM 0 HA3 GLY A 188 38.021 20.376 8.061 1.00 9.69 H new ATOM 1304 N ALYS A 188A 35.875 21.012 9.956 0.50 6.63 N ATOM 1305 N BLYS A 188A 35.882 21.015 9.939 0.50 6.92 N ATOM 1306 CA ALYS A 188A 35.379 21.821 11.080 0.50 5.62 C ATOM 1307 CA BLYS A 188A 35.359 21.815 11.050 0.50 6.04 C ATOM 1308 C ALYS A 188A 34.006 21.319 11.490 0.50 9.41 C ATOM 1309 C BLYS A 188A 34.022 21.228 11.452 0.50 9.45 C ATOM 1310 O ALYS A 188A 33.070 21.373 10.692 0.50 8.92 O ATOM 1311 O BLYS A 188A 33.131 21.123 10.606 0.50 8.26 O ATOM 1312 CB ALYS A 188A 35.316 23.308 10.713 0.50 7.11 C ATOM 1313 CB BLYS A 188A 35.166 23.281 10.634 0.50 7.86 C ATOM 1314 CG ALYS A 188A 36.676 23.923 10.405 0.50 8.12 C ATOM 1315 CG BLYS A 188A 36.455 24.023 10.335 0.50 17.82 C ATOM 1316 CD ALYS A 188A 36.562 25.412 10.225 0.50 4.21 C ATOM 1317 CD BLYS A 188A 36.142 25.366 9.738 0.50 21.80 C ATOM 1318 CE ALYS A 188A 36.157 25.834 8.835 0.50 13.28 C ATOM 1319 CE BLYS A 188A 37.183 26.375 10.120 0.50 32.23 C ATOM 1320 NZ ALYS A 188A 35.927 27.308 8.786 0.50 16.23 N ATOM 1321 NZ BLYS A 188A 36.959 27.658 9.412 0.50 38.63 N ATOM 0 H ALYS A 188A 35.285 20.859 9.349 0.50 6.92 H new ATOM 0 H BLYS A 188A 35.305 20.867 9.319 0.50 6.92 H new ATOM 0 HA ALYS A 188A 35.995 21.730 11.823 0.50 6.04 H new ATOM 0 HA BLYS A 188A 35.989 21.795 11.788 0.50 6.04 H new ATOM 0 HB2ALYS A 188A 34.738 23.418 9.942 0.50 7.86 H new ATOM 0 HB2BLYS A 188A 34.599 23.311 9.848 0.50 7.86 H new ATOM 0 HB3ALYS A 188A 34.908 23.796 11.445 0.50 7.86 H new ATOM 0 HB3BLYS A 188A 34.694 23.747 11.342 0.50 7.86 H new ATOM 0 HG2ALYS A 188A 37.295 23.727 11.126 0.50 17.82 H new ATOM 0 HG2BLYS A 188A 36.971 24.134 11.149 0.50 17.82 H new ATOM 0 HG3ALYS A 188A 37.042 23.523 9.600 0.50 17.82 H new ATOM 0 HG3BLYS A 188A 37.001 23.506 9.722 0.50 17.82 H new ATOM 0 HD2ALYS A 188A 35.914 25.756 10.859 0.50 21.80 H new ATOM 0 HD2BLYS A 188A 36.096 25.292 8.772 0.50 21.80 H new ATOM 0 HD3ALYS A 188A 37.415 25.821 10.441 0.50 21.80 H new ATOM 0 HD3BLYS A 188A 35.270 25.664 10.041 0.50 21.80 H new ATOM 0 HE2ALYS A 188A 36.849 25.587 8.201 0.50 32.23 H new ATOM 0 HE2BLYS A 188A 37.161 26.522 11.079 0.50 32.23 H new ATOM 0 HE3ALYS A 188A 35.350 25.366 8.571 0.50 32.23 H new ATOM 0 HE3BLYS A 188A 38.065 26.033 9.906 0.50 32.23 H new ATOM 0 HZ1ALYS A 188A 35.592 27.530 7.992 0.50 38.63 H new ATOM 0 HZ1BLYS A 188A 37.059 28.334 9.983 0.50 38.63 H new ATOM 0 HZ2ALYS A 188A 35.353 27.541 9.425 0.50 38.63 H new ATOM 0 HZ2BLYS A 188A 37.549 27.739 8.750 0.50 38.63 H new ATOM 0 HZ3ALYS A 188A 36.699 27.733 8.911 0.50 38.63 H new ATOM 0 HZ3BLYS A 188A 36.134 27.673 9.077 0.50 38.63 H new ATOM 1322 N ASP A 189 33.890 20.773 12.715 1.00 6.84 N ATOM 1323 CA ASP A 189 32.632 20.175 13.145 1.00 7.32 C ATOM 1324 C ASP A 189 32.606 20.056 14.642 1.00 8.86 C ATOM 1325 O ASP A 189 33.634 20.212 15.299 1.00 7.94 O ATOM 1326 CB ASP A 189 32.581 18.743 12.547 1.00 8.53 C ATOM 1327 CG ASP A 189 31.243 18.052 12.515 1.00 9.81 C ATOM 1328 OD1 ASP A 189 30.231 18.694 12.865 1.00 10.17 O ATOM 1329 OD2 ASP A 189 31.203 16.877 12.111 1.00 6.99 O ATOM 0 H AASP A 189 34.523 20.743 13.297 0.50 6.84 H new ATOM 0 H BASP A 189 34.505 20.804 13.315 0.50 6.84 H new ATOM 0 HA ASP A 189 31.884 20.719 12.854 1.00 7.32 H new ATOM 0 HB2 ASP A 189 32.918 18.785 11.638 1.00 8.53 H new ATOM 0 HB3 ASP A 189 33.194 18.186 13.051 1.00 8.53 H new ATOM 1330 N SER A 190 31.439 19.711 15.198 1.00 4.92 N ATOM 1331 CA SER A 190 31.352 19.381 16.607 1.00 4.78 C ATOM 1332 C SER A 190 31.730 17.867 16.660 1.00 8.91 C ATOM 1333 O SER A 190 31.852 17.228 15.599 1.00 9.57 O ATOM 1334 CB SER A 190 29.945 19.644 17.125 1.00 6.53 C ATOM 1335 OG SER A 190 28.989 18.931 16.358 1.00 7.21 O ATOM 0 H SER A 190 30.694 19.665 14.771 1.00 4.92 H new ATOM 0 HA SER A 190 31.936 19.915 17.168 1.00 4.78 H new ATOM 0 HB2 SER A 190 29.883 19.379 18.056 1.00 6.53 H new ATOM 0 HB3 SER A 190 29.754 20.594 17.087 1.00 6.53 H new ATOM 0 HG SER A 190 28.541 19.471 15.896 1.00 7.21 H new ATOM 1336 N CYS A 191 31.954 17.305 17.860 1.00 6.79 N ATOM 1337 CA CYS A 191 32.408 15.930 17.964 1.00 6.01 C ATOM 1338 C CYS A 191 32.115 15.356 19.353 1.00 8.43 C ATOM 1339 O CYS A 191 31.657 16.088 20.234 1.00 8.90 O ATOM 1340 CB CYS A 191 33.898 15.866 17.633 1.00 6.01 C ATOM 1341 SG CYS A 191 34.481 14.211 17.147 1.00 9.81 S ATOM 0 H CYS A 191 31.847 17.708 18.612 1.00 6.79 H new ATOM 0 HA CYS A 191 31.922 15.384 17.326 1.00 6.01 H new ATOM 0 HB2 CYS A 191 34.087 16.489 16.914 1.00 6.01 H new ATOM 0 HB3 CYS A 191 34.404 16.163 18.405 1.00 6.01 H new ATOM 1342 N GLN A 192 32.367 14.041 19.532 1.00 7.76 N ATOM 1343 CA GLN A 192 32.225 13.301 20.784 1.00 7.83 C ATOM 1344 C GLN A 192 32.478 14.173 22.010 1.00 9.16 C ATOM 1345 O GLN A 192 33.609 14.587 22.228 1.00 8.02 O ATOM 1346 CB GLN A 192 33.224 12.131 20.834 1.00 9.90 C ATOM 1347 CG GLN A 192 32.880 10.944 19.966 1.00 21.59 C ATOM 1348 CD GLN A 192 33.417 11.097 18.563 1.00 44.94 C ATOM 1349 OE1 GLN A 192 34.636 10.974 18.291 1.00 38.33 O ATOM 1350 NE2 GLN A 192 32.507 11.383 17.646 1.00 27.56 N ATOM 0 H GLN A 192 32.639 13.542 18.887 1.00 7.76 H new ATOM 0 HA GLN A 192 31.309 12.982 20.805 1.00 7.83 H new ATOM 0 HB2 GLN A 192 34.098 12.461 20.572 1.00 9.90 H new ATOM 0 HB3 GLN A 192 33.299 11.829 21.753 1.00 9.90 H new ATOM 0 HG2 GLN A 192 33.242 10.137 20.364 1.00 21.59 H new ATOM 0 HG3 GLN A 192 31.917 10.836 19.933 1.00 21.59 H new ATOM 0 HE21 GLN A 192 31.680 11.460 17.870 1.00 27.56 H new ATOM 0 HE22 GLN A 192 32.742 11.492 16.826 1.00 27.56 H new ATOM 1351 N GLY A 193 31.455 14.391 22.824 1.00 6.40 N ATOM 1352 CA GLY A 193 31.615 15.199 24.035 1.00 5.06 C ATOM 1353 C GLY A 193 30.997 16.581 23.928 1.00 7.18 C ATOM 1354 O GLY A 193 30.851 17.252 24.947 1.00 7.04 O ATOM 0 H GLY A 193 30.662 14.084 22.698 1.00 6.40 H new ATOM 0 HA2 GLY A 193 31.213 14.730 24.783 1.00 5.06 H new ATOM 0 HA3 GLY A 193 32.560 15.290 24.232 1.00 5.06 H new ATOM 1355 N ASP A 194 30.683 17.035 22.701 1.00 5.75 N ATOM 1356 CA ASP A 194 30.049 18.329 22.481 1.00 3.79 C ATOM 1357 C ASP A 194 28.559 18.184 22.537 1.00 4.29 C ATOM 1358 O ASP A 194 27.882 19.201 22.722 1.00 3.46 O ATOM 1359 CB ASP A 194 30.393 18.882 21.099 1.00 4.44 C ATOM 1360 CG ASP A 194 31.839 19.286 20.938 1.00 6.05 C ATOM 1361 OD1 ASP A 194 32.383 19.876 21.867 1.00 6.07 O ATOM 1362 OD2 ASP A 194 32.373 19.122 19.833 1.00 6.96 O ATOM 0 H ASP A 194 30.836 16.594 21.979 1.00 5.75 H new ATOM 0 HA ASP A 194 30.371 18.929 23.171 1.00 3.79 H new ATOM 0 HB2 ASP A 194 30.178 18.212 20.431 1.00 4.44 H new ATOM 0 HB3 ASP A 194 29.830 19.652 20.920 1.00 4.44 H new ATOM 1363 N SER A 195 28.034 16.959 22.382 1.00 3.68 N ATOM 1364 CA SER A 195 26.593 16.787 22.289 1.00 3.72 C ATOM 1365 C SER A 195 25.883 17.294 23.530 1.00 7.12 C ATOM 1366 O SER A 195 26.458 17.317 24.617 1.00 5.49 O ATOM 1367 CB SER A 195 26.212 15.369 21.929 1.00 6.56 C ATOM 1368 OG SER A 195 26.484 14.507 23.010 1.00 5.69 O ATOM 0 H SER A 195 28.492 16.233 22.330 1.00 3.68 H new ATOM 0 HA SER A 195 26.284 17.341 21.555 1.00 3.72 H new ATOM 0 HB2 SER A 195 25.270 15.327 21.701 1.00 6.56 H new ATOM 0 HB3 SER A 195 26.706 15.083 21.145 1.00 6.56 H new ATOM 0 HG SER A 195 25.877 13.929 23.067 1.00 5.69 H new ATOM 1369 N GLY A 196 24.678 17.792 23.322 1.00 3.32 N ATOM 1370 CA GLY A 196 23.912 18.444 24.370 1.00 3.10 C ATOM 1371 C GLY A 196 24.136 19.952 24.430 1.00 6.26 C ATOM 1372 O GLY A 196 23.339 20.685 25.015 1.00 6.48 O ATOM 0 H GLY A 196 24.276 17.762 22.562 1.00 3.32 H new ATOM 0 HA2 GLY A 196 22.968 18.269 24.229 1.00 3.10 H new ATOM 0 HA3 GLY A 196 24.149 18.054 25.226 1.00 3.10 H new ATOM 1373 N GLY A 197 25.263 20.397 23.871 1.00 4.65 N ATOM 1374 CA GLY A 197 25.681 21.781 23.891 1.00 3.00 C ATOM 1375 C GLY A 197 24.947 22.671 22.929 1.00 5.95 C ATOM 1376 O GLY A 197 24.131 22.226 22.130 1.00 4.13 O ATOM 0 H GLY A 197 25.815 19.880 23.460 1.00 4.65 H new ATOM 0 HA2 GLY A 197 25.564 22.129 24.789 1.00 3.00 H new ATOM 0 HA3 GLY A 197 26.630 21.823 23.692 1.00 3.00 H new ATOM 1377 N PRO A 198 25.324 23.952 22.972 1.00 3.59 N ATOM 1378 CA PRO A 198 24.629 24.966 22.159 1.00 3.15 C ATOM 1379 C PRO A 198 25.082 25.211 20.744 1.00 4.96 C ATOM 1380 O PRO A 198 26.272 25.166 20.460 1.00 4.34 O ATOM 1381 CB PRO A 198 24.909 26.254 22.934 1.00 4.81 C ATOM 1382 CG PRO A 198 26.252 26.020 23.573 1.00 8.58 C ATOM 1383 CD PRO A 198 26.287 24.558 23.917 1.00 4.85 C ATOM 0 HA PRO A 198 23.715 24.663 22.045 1.00 3.15 H new ATOM 0 HB2 PRO A 198 24.927 27.025 22.345 1.00 4.81 H new ATOM 0 HB3 PRO A 198 24.224 26.422 23.600 1.00 4.81 H new ATOM 0 HG2 PRO A 198 26.972 26.253 22.966 1.00 8.58 H new ATOM 0 HG3 PRO A 198 26.361 26.568 24.366 1.00 8.58 H new ATOM 0 HD2 PRO A 198 27.176 24.187 23.806 1.00 4.85 H new ATOM 0 HD3 PRO A 198 26.028 24.403 24.839 1.00 4.85 H new ATOM 1384 N VAL A 199 24.118 25.674 19.925 1.00 3.17 N ATOM 1385 CA VAL A 199 24.298 26.305 18.629 1.00 4.38 C ATOM 1386 C VAL A 199 23.541 27.614 18.788 1.00 6.12 C ATOM 1387 O VAL A 199 22.304 27.613 18.880 1.00 6.82 O ATOM 1388 CB VAL A 199 23.766 25.499 17.442 1.00 7.86 C ATOM 1389 CG1 VAL A 199 24.062 26.253 16.139 1.00 8.27 C ATOM 1390 CG2 VAL A 199 24.384 24.095 17.428 1.00 7.58 C ATOM 0 H VAL A 199 23.287 25.617 20.140 1.00 3.17 H new ATOM 0 HA VAL A 199 25.239 26.402 18.414 1.00 4.38 H new ATOM 0 HB VAL A 199 22.805 25.394 17.526 1.00 7.86 H new ATOM 0 HG11 VAL A 199 23.725 25.743 15.386 1.00 8.27 H new ATOM 0 HG12 VAL A 199 23.628 27.120 16.161 1.00 8.27 H new ATOM 0 HG13 VAL A 199 25.020 26.373 16.045 1.00 8.27 H new ATOM 0 HG21 VAL A 199 24.038 23.596 16.671 1.00 7.58 H new ATOM 0 HG22 VAL A 199 25.349 24.167 17.354 1.00 7.58 H new ATOM 0 HG23 VAL A 199 24.157 23.633 18.250 1.00 7.58 H new ATOM 1391 N VAL A 200 24.279 28.704 18.909 1.00 4.11 N ATOM 1392 CA VAL A 200 23.687 30.019 19.152 1.00 4.14 C ATOM 1393 C VAL A 200 23.888 30.888 17.943 1.00 7.40 C ATOM 1394 O VAL A 200 24.996 30.985 17.420 1.00 7.44 O ATOM 1395 CB VAL A 200 24.268 30.636 20.443 1.00 6.31 C ATOM 1396 CG1 VAL A 200 23.984 32.139 20.536 1.00 7.30 C ATOM 1397 CG2 VAL A 200 23.699 29.904 21.653 1.00 6.48 C ATOM 0 H VAL A 200 25.137 28.708 18.854 1.00 4.11 H new ATOM 0 HA VAL A 200 22.731 29.937 19.293 1.00 4.14 H new ATOM 0 HB VAL A 200 25.232 30.532 20.424 1.00 6.31 H new ATOM 0 HG11 VAL A 200 24.363 32.490 21.357 1.00 7.30 H new ATOM 0 HG12 VAL A 200 24.384 32.592 19.777 1.00 7.30 H new ATOM 0 HG13 VAL A 200 23.026 32.288 20.533 1.00 7.30 H new ATOM 0 HG21 VAL A 200 24.063 30.290 22.465 1.00 6.48 H new ATOM 0 HG22 VAL A 200 22.733 29.990 21.659 1.00 6.48 H new ATOM 0 HG23 VAL A 200 23.939 28.965 21.606 1.00 6.48 H new ATOM 1398 N CYS A 201 22.807 31.487 17.475 1.00 6.50 N ATOM 1399 CA CYS A 201 22.856 32.337 16.282 1.00 6.10 C ATOM 1400 C CYS A 201 22.196 33.635 16.655 1.00 10.35 C ATOM 1401 O CYS A 201 21.042 33.612 17.067 1.00 8.99 O ATOM 1402 CB CYS A 201 22.104 31.662 15.141 1.00 5.81 C ATOM 1403 SG CYS A 201 22.298 29.862 15.073 1.00 8.65 S ATOM 0 H CYS A 201 22.027 31.418 17.831 1.00 6.50 H new ATOM 0 HA CYS A 201 23.767 32.487 15.986 1.00 6.10 H new ATOM 0 HB2 CYS A 201 21.160 31.871 15.222 1.00 5.81 H new ATOM 0 HB3 CYS A 201 22.407 32.040 14.301 1.00 5.81 H new ATOM 1404 N SER A 202 22.917 34.752 16.532 1.00 9.50 N ATOM 1405 CA SER A 202 22.409 36.086 16.883 1.00 10.90 C ATOM 1406 C SER A 202 21.784 36.149 18.305 1.00 14.19 C ATOM 1407 O SER A 202 20.700 36.702 18.509 1.00 13.91 O ATOM 1408 CB SER A 202 21.451 36.602 15.806 1.00 14.23 C ATOM 1409 OG SER A 202 22.073 36.650 14.529 1.00 20.15 O ATOM 0 H SER A 202 23.725 34.758 16.239 1.00 9.50 H new ATOM 0 HA SER A 202 23.175 36.681 16.914 1.00 10.90 H new ATOM 0 HB2 SER A 202 20.670 36.028 15.765 1.00 14.23 H new ATOM 0 HB3 SER A 202 21.139 37.488 16.048 1.00 14.23 H new ATOM 0 HG SER A 202 21.524 36.935 13.960 1.00 20.15 H new ATOM 1410 N GLY A 203 22.486 35.545 19.259 1.00 11.04 N ATOM 1411 CA GLY A 203 22.119 35.526 20.669 1.00 11.08 C ATOM 1412 C GLY A 203 20.914 34.672 20.989 1.00 13.40 C ATOM 1413 O GLY A 203 20.337 34.821 22.069 1.00 14.37 O ATOM 0 H GLY A 203 23.216 35.120 19.096 1.00 11.04 H new ATOM 0 HA2 GLY A 203 22.875 35.205 21.185 1.00 11.08 H new ATOM 0 HA3 GLY A 203 21.944 36.435 20.959 1.00 11.08 H new ATOM 1414 N LYS A 204 20.537 33.729 20.089 1.00 8.60 N ATOM 1415 CA LYS A 204 19.390 32.844 20.360 1.00 8.45 C ATOM 1416 C LYS A 204 19.843 31.416 20.288 1.00 8.75 C ATOM 1417 O LYS A 204 20.643 31.084 19.426 1.00 9.52 O ATOM 1418 CB LYS A 204 18.266 33.024 19.322 1.00 11.85 C ATOM 1419 CG LYS A 204 17.746 34.462 19.169 1.00 20.49 C ATOM 1420 CD LYS A 204 17.067 35.017 20.443 1.00 25.63 C ATOM 1421 CE LYS A 204 16.518 36.406 20.182 1.00 37.16 C ATOM 1422 NZ LYS A 204 15.904 36.997 21.400 1.00 52.47 N ATOM 0 H LYS A 204 20.927 33.594 19.335 1.00 8.60 H new ATOM 0 HA LYS A 204 19.050 33.072 21.239 1.00 8.45 H new ATOM 0 HB2 LYS A 204 18.588 32.718 18.460 1.00 11.85 H new ATOM 0 HB3 LYS A 204 17.523 32.450 19.567 1.00 11.85 H new ATOM 0 HG2 LYS A 204 18.486 35.041 18.928 1.00 20.49 H new ATOM 0 HG3 LYS A 204 17.112 34.492 18.435 1.00 20.49 H new ATOM 0 HD2 LYS A 204 16.350 34.425 20.719 1.00 25.63 H new ATOM 0 HD3 LYS A 204 17.707 35.047 21.172 1.00 25.63 H new ATOM 0 HE2 LYS A 204 17.233 36.982 19.868 1.00 37.16 H new ATOM 0 HE3 LYS A 204 15.856 36.364 19.474 1.00 37.16 H new ATOM 0 HZ1 LYS A 204 15.050 37.188 21.239 1.00 52.47 H new ATOM 0 HZ2 LYS A 204 15.957 36.415 22.071 1.00 52.47 H new ATOM 0 HZ3 LYS A 204 16.338 37.743 21.619 1.00 52.47 H new ATOM 1423 N LEU A 209 19.329 30.571 21.169 1.00 4.48 N ATOM 1424 CA LEU A 209 19.675 29.148 21.106 1.00 4.62 C ATOM 1425 C LEU A 209 18.866 28.474 19.993 1.00 8.25 C ATOM 1426 O LEU A 209 17.698 28.178 20.198 1.00 8.20 O ATOM 1427 CB LEU A 209 19.407 28.464 22.454 1.00 4.66 C ATOM 1428 CG LEU A 209 19.804 27.002 22.545 1.00 7.03 C ATOM 1429 CD1 LEU A 209 21.334 26.824 22.466 1.00 5.46 C ATOM 1430 CD2 LEU A 209 19.225 26.381 23.800 1.00 8.98 C ATOM 0 H LEU A 209 18.788 30.789 21.801 1.00 4.48 H new ATOM 0 HA LEU A 209 20.621 29.062 20.910 1.00 4.62 H new ATOM 0 HB2 LEU A 209 19.880 28.953 23.145 1.00 4.66 H new ATOM 0 HB3 LEU A 209 18.460 28.537 22.652 1.00 4.66 H new ATOM 0 HG LEU A 209 19.433 26.535 21.780 1.00 7.03 H new ATOM 0 HD11 LEU A 209 21.554 25.881 22.527 1.00 5.46 H new ATOM 0 HD12 LEU A 209 21.658 27.177 21.623 1.00 5.46 H new ATOM 0 HD13 LEU A 209 21.754 27.301 23.199 1.00 5.46 H new ATOM 0 HD21 LEU A 209 19.484 25.448 23.849 1.00 8.98 H new ATOM 0 HD22 LEU A 209 19.562 26.851 24.579 1.00 8.98 H new ATOM 0 HD23 LEU A 209 18.257 26.447 23.777 1.00 8.98 H new ATOM 1431 N GLN A 210 19.480 28.244 18.824 1.00 3.67 N ATOM 1432 CA GLN A 210 18.770 27.599 17.725 1.00 3.40 C ATOM 1433 C GLN A 210 18.967 26.108 17.650 1.00 6.65 C ATOM 1434 O GLN A 210 18.152 25.433 17.057 1.00 6.16 O ATOM 1435 CB GLN A 210 19.165 28.231 16.376 1.00 4.23 C ATOM 1436 CG GLN A 210 18.760 29.694 16.266 1.00 9.19 C ATOM 1437 CD GLN A 210 17.273 29.907 16.018 1.00 17.68 C ATOM 1438 OE1 GLN A 210 16.503 28.978 15.800 1.00 16.86 O ATOM 1439 NE2 GLN A 210 16.852 31.158 15.961 1.00 8.83 N ATOM 0 H GLN A 210 20.297 28.453 18.654 1.00 3.67 H new ATOM 0 HA GLN A 210 17.829 27.747 17.910 1.00 3.40 H new ATOM 0 HB2 GLN A 210 20.125 28.156 16.258 1.00 4.23 H new ATOM 0 HB3 GLN A 210 18.751 27.730 15.656 1.00 4.23 H new ATOM 0 HG2 GLN A 210 19.011 30.152 17.083 1.00 9.19 H new ATOM 0 HG3 GLN A 210 19.261 30.106 15.545 1.00 9.19 H new ATOM 0 HE21 GLN A 210 17.399 31.803 16.115 1.00 8.83 H new ATOM 0 HE22 GLN A 210 16.031 31.327 15.770 1.00 8.83 H new ATOM 1440 N GLY A 211 20.072 25.604 18.154 1.00 3.00 N ATOM 1441 CA GLY A 211 20.271 24.159 18.084 1.00 3.42 C ATOM 1442 C GLY A 211 20.920 23.575 19.301 1.00 6.95 C ATOM 1443 O GLY A 211 21.489 24.287 20.136 1.00 5.30 O ATOM 0 H GLY A 211 20.702 26.053 18.529 1.00 3.00 H new ATOM 0 HA2 GLY A 211 19.412 23.729 17.949 1.00 3.42 H new ATOM 0 HA3 GLY A 211 20.816 23.954 17.308 1.00 3.42 H new ATOM 1444 N ILE A 212 20.827 22.247 19.396 1.00 4.73 N ATOM 1445 CA ILE A 212 21.485 21.426 20.405 1.00 3.53 C ATOM 1446 C ILE A 212 22.353 20.463 19.631 1.00 5.00 C ATOM 1447 O ILE A 212 21.867 19.809 18.701 1.00 5.08 O ATOM 1448 CB ILE A 212 20.460 20.690 21.300 1.00 7.53 C ATOM 1449 CG1 ILE A 212 19.618 21.730 22.055 1.00 7.31 C ATOM 1450 CG2 ILE A 212 21.171 19.751 22.288 1.00 7.52 C ATOM 1451 CD1 ILE A 212 18.469 21.156 22.704 1.00 7.16 C ATOM 0 H ILE A 212 20.356 21.782 18.847 1.00 4.73 H new ATOM 0 HA ILE A 212 22.012 21.964 21.017 1.00 3.53 H new ATOM 0 HB ILE A 212 19.881 20.147 20.743 1.00 7.53 H new ATOM 0 HG12 ILE A 212 20.173 22.169 22.719 1.00 7.31 H new ATOM 0 HG13 ILE A 212 19.324 22.414 21.434 1.00 7.31 H new ATOM 0 HG21 ILE A 212 20.511 19.300 22.838 1.00 7.52 H new ATOM 0 HG22 ILE A 212 21.685 19.092 21.796 1.00 7.52 H new ATOM 0 HG23 ILE A 212 21.766 20.267 22.854 1.00 7.52 H new ATOM 0 HD11 ILE A 212 17.975 21.853 23.164 1.00 7.16 H new ATOM 0 HD12 ILE A 212 17.897 20.739 22.041 1.00 7.16 H new ATOM 0 HD13 ILE A 212 18.759 20.489 23.346 1.00 7.16 H new ATOM 1452 N VAL A 213 23.613 20.326 20.032 1.00 4.35 N ATOM 1453 CA VAL A 213 24.517 19.380 19.378 1.00 3.28 C ATOM 1454 C VAL A 213 23.918 18.014 19.590 1.00 4.15 C ATOM 1455 O VAL A 213 23.678 17.621 20.726 1.00 5.73 O ATOM 1456 CB VAL A 213 25.919 19.478 19.993 1.00 5.53 C ATOM 1457 CG1 VAL A 213 26.877 18.537 19.287 1.00 4.74 C ATOM 1458 CG2 VAL A 213 26.448 20.914 19.934 1.00 5.25 C ATOM 0 H VAL A 213 23.965 20.769 20.679 1.00 4.35 H new ATOM 0 HA VAL A 213 24.614 19.568 18.431 1.00 3.28 H new ATOM 0 HB VAL A 213 25.854 19.217 20.925 1.00 5.53 H new ATOM 0 HG11 VAL A 213 27.757 18.611 19.687 1.00 4.74 H new ATOM 0 HG12 VAL A 213 26.558 17.625 19.374 1.00 4.74 H new ATOM 0 HG13 VAL A 213 26.929 18.772 18.347 1.00 4.74 H new ATOM 0 HG21 VAL A 213 27.334 20.949 20.328 1.00 5.25 H new ATOM 0 HG22 VAL A 213 26.494 21.204 19.010 1.00 5.25 H new ATOM 0 HG23 VAL A 213 25.852 21.499 20.427 1.00 5.25 H new ATOM 1459 N SER A 214 23.635 17.309 18.482 1.00 3.00 N ATOM 1460 CA SER A 214 22.900 16.061 18.571 1.00 3.00 C ATOM 1461 C SER A 214 23.687 14.871 18.044 1.00 7.34 C ATOM 1462 O SER A 214 24.080 14.015 18.836 1.00 8.06 O ATOM 1463 CB SER A 214 21.536 16.211 17.899 1.00 7.00 C ATOM 1464 OG SER A 214 20.781 15.019 17.975 1.00 6.58 O ATOM 0 H SER A 214 23.861 17.541 17.685 1.00 3.00 H new ATOM 0 HA SER A 214 22.755 15.866 19.510 1.00 3.00 H new ATOM 0 HB2 SER A 214 21.045 16.933 18.321 1.00 7.00 H new ATOM 0 HB3 SER A 214 21.659 16.458 16.969 1.00 7.00 H new ATOM 0 HG SER A 214 20.675 14.805 18.780 1.00 6.58 H new ATOM 1465 N TRP A 215 23.940 14.802 16.737 1.00 4.21 N ATOM 1466 CA TRP A 215 24.608 13.616 16.217 1.00 4.18 C ATOM 1467 C TRP A 215 25.327 13.904 14.918 1.00 7.31 C ATOM 1468 O TRP A 215 25.329 15.032 14.453 1.00 7.29 O ATOM 1469 CB TRP A 215 23.578 12.476 15.994 1.00 3.82 C ATOM 1470 CG TRP A 215 22.495 12.785 14.998 1.00 4.63 C ATOM 1471 CD1 TRP A 215 21.307 13.407 15.249 1.00 6.68 C ATOM 1472 CD2 TRP A 215 22.437 12.354 13.624 1.00 4.83 C ATOM 1473 NE1 TRP A 215 20.512 13.389 14.127 1.00 6.99 N ATOM 1474 CE2 TRP A 215 21.171 12.739 13.120 1.00 7.88 C ATOM 1475 CE3 TRP A 215 23.305 11.625 12.787 1.00 6.35 C ATOM 1476 CZ2 TRP A 215 20.806 12.530 11.787 1.00 7.95 C ATOM 1477 CZ3 TRP A 215 22.925 11.389 11.473 1.00 7.45 C ATOM 1478 CH2 TRP A 215 21.677 11.812 10.995 1.00 8.12 C ATOM 0 H TRP A 215 23.742 15.405 16.157 1.00 4.21 H new ATOM 0 HA TRP A 215 25.266 13.341 16.874 1.00 4.18 H new ATOM 0 HB2 TRP A 215 24.052 11.683 15.700 1.00 3.82 H new ATOM 0 HB3 TRP A 215 23.165 12.261 16.845 1.00 3.82 H new ATOM 0 HD1 TRP A 215 21.069 13.789 16.063 1.00 6.68 H new ATOM 0 HE1 TRP A 215 19.726 13.732 14.068 1.00 6.99 H new ATOM 0 HE3 TRP A 215 24.118 11.308 13.109 1.00 6.35 H new ATOM 0 HZ2 TRP A 215 20.007 12.862 11.447 1.00 7.95 H new ATOM 0 HZ3 TRP A 215 23.507 10.943 10.901 1.00 7.45 H new ATOM 0 HH2 TRP A 215 21.431 11.603 10.123 1.00 8.12 H new ATOM 1479 N AGLY A 216 25.941 12.872 14.352 0.50 4.71 N ATOM 1480 N BGLY A 216 25.974 12.875 14.378 0.50 5.73 N ATOM 1481 CA AGLY A 216 26.615 12.962 13.071 0.50 4.66 C ATOM 1482 CA BGLY A 216 26.685 12.959 13.117 0.50 6.27 C ATOM 1483 C AGLY A 216 27.086 11.588 12.657 0.50 7.85 C ATOM 1484 C BGLY A 216 27.305 11.621 12.781 0.50 10.99 C ATOM 1485 O AGLY A 216 26.638 10.579 13.213 0.50 7.20 O ATOM 1486 O BGLY A 216 27.214 10.680 13.575 0.50 10.98 O ATOM 0 H AGLY A 216 25.977 12.090 14.709 0.50 5.73 H new ATOM 0 H BGLY A 216 26.010 12.098 14.744 0.50 5.73 H new ATOM 0 HA2AGLY A 216 26.013 13.324 12.402 0.50 6.27 H new ATOM 0 HA2BGLY A 216 26.076 13.228 12.411 0.50 6.27 H new ATOM 0 HA3AGLY A 216 27.369 13.569 13.133 0.50 6.27 H new ATOM 0 HA3BGLY A 216 27.375 13.639 13.171 0.50 6.27 H new ATOM 1487 N ASER A 217 27.959 11.544 11.653 0.50 5.65 N ATOM 1488 N BSER A 217 27.914 11.521 11.596 0.50 9.07 N ATOM 1489 CA ASER A 217 28.608 10.316 11.209 0.50 5.12 C ATOM 1490 CA BSER A 217 28.612 10.308 11.168 0.50 8.84 C ATOM 1491 C ASER A 217 30.067 10.687 11.202 0.50 9.23 C ATOM 1492 C BSER A 217 30.075 10.680 11.187 0.50 11.11 C ATOM 1493 O ASER A 217 30.512 11.445 10.332 0.50 8.43 O ATOM 1494 O BSER A 217 30.532 11.430 10.317 0.50 10.56 O ATOM 1495 CB ASER A 217 28.145 9.889 9.823 0.50 6.50 C ATOM 1496 CB BSER A 217 28.156 9.888 9.776 0.50 12.80 C ATOM 1497 OG ASER A 217 28.788 8.655 9.554 0.50 3.58 O ATOM 1498 OG BSER A 217 26.800 9.491 9.856 0.50 22.36 O ATOM 0 H ASER A 217 28.194 12.239 11.204 0.50 9.07 H new ATOM 0 H BSER A 217 27.933 12.157 11.018 0.50 9.07 H new ATOM 0 HA ASER A 217 28.402 9.560 11.780 0.50 8.84 H new ATOM 0 HA BSER A 217 28.429 9.550 11.745 0.50 8.84 H new ATOM 0 HB2ASER A 217 27.180 9.790 9.795 0.50 12.80 H new ATOM 0 HB2BSER A 217 28.257 10.623 9.151 0.50 12.80 H new ATOM 0 HB3ASER A 217 28.381 10.555 9.158 0.50 12.80 H new ATOM 0 HB3BSER A 217 28.703 9.158 9.447 0.50 12.80 H new ATOM 0 HG ASER A 217 28.345 8.227 8.983 0.50 22.36 H new ATOM 0 HG BSER A 217 26.490 9.394 9.081 0.50 22.36 H new ATOM 1499 N GLY A 219 30.761 10.287 12.259 1.00 7.81 N ATOM 1500 CA GLY A 219 32.147 10.670 12.465 1.00 7.54 C ATOM 1501 C GLY A 219 32.167 12.179 12.739 1.00 8.72 C ATOM 1502 O GLY A 219 31.126 12.803 13.028 1.00 7.40 O ATOM 0 H AGLY A 219 30.439 9.784 12.878 0.50 7.81 H new ATOM 0 H BGLY A 219 30.434 9.793 12.882 0.50 7.81 H new ATOM 0 HA2 GLY A 219 32.529 10.182 13.211 1.00 7.54 H new ATOM 0 HA3 GLY A 219 32.680 10.457 11.683 1.00 7.54 H new ATOM 1503 N CYS A 220 33.326 12.779 12.629 1.00 7.90 N ATOM 1504 CA CYS A 220 33.448 14.229 12.832 1.00 7.14 C ATOM 1505 C CYS A 220 34.262 14.834 11.762 1.00 10.93 C ATOM 1506 O CYS A 220 35.331 14.309 11.442 1.00 10.36 O ATOM 1507 CB CYS A 220 34.067 14.524 14.189 1.00 7.18 C ATOM 1508 SG CYS A 220 33.258 13.638 15.538 1.00 10.28 S ATOM 0 H CYS A 220 34.063 12.379 12.438 1.00 7.90 H new ATOM 0 HA CYS A 220 32.559 14.617 12.803 1.00 7.14 H new ATOM 0 HB2 CYS A 220 35.007 14.285 14.169 1.00 7.18 H new ATOM 0 HB3 CYS A 220 34.020 15.478 14.360 1.00 7.18 H new ATOM 1509 N ALA A 221 33.835 16.009 11.287 1.00 8.79 N ATOM 1510 CA ALA A 221 34.580 16.795 10.300 1.00 8.22 C ATOM 1511 C ALA A 221 34.897 16.044 9.015 1.00 11.50 C ATOM 1512 O ALA A 221 35.829 16.421 8.289 1.00 11.89 O ATOM 1513 CB ALA A 221 35.850 17.357 10.921 1.00 9.02 C ATOM 0 H ALA A 221 33.096 16.375 11.533 1.00 8.79 H new ATOM 0 HA ALA A 221 33.992 17.521 10.039 1.00 8.22 H new ATOM 0 HB1 ALA A 221 36.333 17.874 10.258 1.00 9.02 H new ATOM 0 HB2 ALA A 221 35.619 17.928 11.670 1.00 9.02 H new ATOM 0 HB3 ALA A 221 36.409 16.627 11.231 1.00 9.02 H new ATOM 1514 N GLN A 221A 34.121 14.984 8.713 1.00 9.42 N ATOM 1515 CA GLN A 221A 34.316 14.235 7.473 1.00 7.86 C ATOM 1516 C GLN A 221A 33.587 14.962 6.365 1.00 11.50 C ATOM 1517 O GLN A 221A 32.577 15.626 6.621 1.00 11.66 O ATOM 1518 CB GLN A 221A 33.782 12.789 7.571 1.00 8.29 C ATOM 1519 CG GLN A 221A 34.395 11.967 8.691 1.00 13.39 C ATOM 1520 CD GLN A 221A 35.880 11.836 8.520 1.00 27.38 C ATOM 1521 OE1 GLN A 221A 36.359 11.240 7.558 1.00 19.43 O ATOM 1522 NE2 GLN A 221A 36.632 12.424 9.427 1.00 21.26 N ATOM 0 H GLN A 221A 33.485 14.692 9.213 1.00 9.42 H new ATOM 0 HA GLN A 221A 35.268 14.179 7.296 1.00 7.86 H new ATOM 0 HB2 GLN A 221A 32.821 12.819 7.696 1.00 8.29 H new ATOM 0 HB3 GLN A 221A 33.945 12.338 6.728 1.00 8.29 H new ATOM 0 HG2 GLN A 221A 34.201 12.384 9.545 1.00 13.39 H new ATOM 0 HG3 GLN A 221A 33.990 11.086 8.707 1.00 13.39 H new ATOM 0 HE21 GLN A 221A 36.266 12.833 10.089 1.00 21.26 H new ATOM 0 HE22 GLN A 221A 37.489 12.399 9.357 1.00 21.26 H new ATOM 1523 N LYS A 222 34.079 14.810 5.126 1.00 9.22 N ATOM 1524 CA LYS A 222 33.465 15.431 3.962 1.00 9.47 C ATOM 1525 C LYS A 222 32.016 14.934 3.826 1.00 12.21 C ATOM 1526 O LYS A 222 31.749 13.735 4.018 1.00 11.53 O ATOM 1527 CB LYS A 222 34.277 15.099 2.693 1.00 11.89 C ATOM 1528 CG LYS A 222 33.724 15.757 1.434 1.00 20.39 C ATOM 1529 CD LYS A 222 34.448 15.314 0.160 1.00 29.48 C ATOM 1530 CE LYS A 222 34.012 16.142 -1.029 1.00 44.99 C ATOM 1531 NZ LYS A 222 34.948 16.003 -2.179 1.00 56.24 N ATOM 0 H LYS A 222 34.778 14.343 4.946 1.00 9.22 H new ATOM 0 HA LYS A 222 33.459 16.395 4.073 1.00 9.47 H new ATOM 0 HB2 LYS A 222 35.196 15.382 2.821 1.00 11.89 H new ATOM 0 HB3 LYS A 222 34.291 14.137 2.568 1.00 11.89 H new ATOM 0 HG2 LYS A 222 32.780 15.547 1.353 1.00 20.39 H new ATOM 0 HG3 LYS A 222 33.794 16.721 1.521 1.00 20.39 H new ATOM 0 HD2 LYS A 222 35.406 15.399 0.283 1.00 29.48 H new ATOM 0 HD3 LYS A 222 34.265 14.377 -0.010 1.00 29.48 H new ATOM 0 HE2 LYS A 222 33.122 15.870 -1.303 1.00 44.99 H new ATOM 0 HE3 LYS A 222 33.956 17.075 -0.769 1.00 44.99 H new ATOM 0 HZ1 LYS A 222 34.661 16.502 -2.858 1.00 56.24 H new ATOM 0 HZ2 LYS A 222 35.760 16.273 -1.935 1.00 56.24 H new ATOM 0 HZ3 LYS A 222 34.983 15.150 -2.432 1.00 56.24 H new ATOM 1532 N ASN A 223 31.086 15.869 3.582 1.00 10.40 N ATOM 1533 CA ASN A 223 29.673 15.599 3.353 1.00 10.38 C ATOM 1534 C ASN A 223 28.957 14.978 4.554 1.00 12.80 C ATOM 1535 O ASN A 223 27.866 14.412 4.403 1.00 11.57 O ATOM 1536 CB ASN A 223 29.470 14.743 2.071 1.00 13.18 C ATOM 1537 CG ASN A 223 29.908 15.442 0.793 1.00 37.29 C ATOM 1538 OD1 ASN A 223 30.521 14.838 -0.103 1.00 31.71 O ATOM 1539 ND2 ASN A 223 29.605 16.730 0.672 1.00 30.10 N ATOM 0 H ASN A 223 31.276 16.707 3.546 1.00 10.40 H new ATOM 0 HA ASN A 223 29.256 16.465 3.221 1.00 10.38 H new ATOM 0 HB2 ASN A 223 29.966 13.914 2.163 1.00 13.18 H new ATOM 0 HB3 ASN A 223 28.533 14.506 1.995 1.00 13.18 H new ATOM 0 HD21 ASN A 223 29.834 17.161 -0.036 1.00 30.10 H new ATOM 0 HD22 ASN A 223 29.180 17.133 1.302 1.00 30.10 H new ATOM 1540 N LYS A 224 29.545 15.113 5.754 1.00 9.56 N ATOM 1541 CA LYS A 224 28.917 14.577 6.967 1.00 7.56 C ATOM 1542 C LYS A 224 28.923 15.643 8.046 1.00 9.11 C ATOM 1543 O LYS A 224 29.647 15.545 9.038 1.00 7.75 O ATOM 1544 CB LYS A 224 29.570 13.258 7.415 1.00 9.82 C ATOM 1545 CG LYS A 224 29.373 12.081 6.431 1.00 10.38 C ATOM 1546 CD LYS A 224 27.903 11.700 6.296 1.00 17.23 C ATOM 1547 CE LYS A 224 27.711 10.562 5.333 1.00 20.69 C ATOM 1548 NZ LYS A 224 26.281 10.146 5.258 1.00 13.37 N ATOM 0 H LYS A 224 30.298 15.507 5.883 1.00 9.56 H new ATOM 0 HA LYS A 224 27.993 14.350 6.777 1.00 7.56 H new ATOM 0 HB2 LYS A 224 30.521 13.406 7.539 1.00 9.82 H new ATOM 0 HB3 LYS A 224 29.207 13.007 8.279 1.00 9.82 H new ATOM 0 HG2 LYS A 224 29.726 12.324 5.561 1.00 10.38 H new ATOM 0 HG3 LYS A 224 29.880 11.313 6.739 1.00 10.38 H new ATOM 0 HD2 LYS A 224 27.551 11.452 7.165 1.00 17.23 H new ATOM 0 HD3 LYS A 224 27.395 12.469 5.994 1.00 17.23 H new ATOM 0 HE2 LYS A 224 28.019 10.826 4.452 1.00 20.69 H new ATOM 0 HE3 LYS A 224 28.255 9.808 5.609 1.00 20.69 H new ATOM 0 HZ1 LYS A 224 26.169 9.588 4.574 1.00 13.37 H new ATOM 0 HZ2 LYS A 224 26.050 9.737 6.014 1.00 13.37 H new ATOM 0 HZ3 LYS A 224 25.768 10.864 5.141 1.00 13.37 H new ATOM 1549 N PRO A 225 28.196 16.744 7.836 1.00 7.10 N ATOM 1550 CA PRO A 225 28.211 17.803 8.848 1.00 5.78 C ATOM 1551 C PRO A 225 27.475 17.376 10.117 1.00 8.07 C ATOM 1552 O PRO A 225 26.671 16.464 10.069 1.00 6.78 O ATOM 1553 CB PRO A 225 27.457 18.937 8.158 1.00 7.13 C ATOM 1554 CG PRO A 225 26.458 18.206 7.258 1.00 10.92 C ATOM 1555 CD PRO A 225 27.260 17.064 6.730 1.00 7.87 C ATOM 0 HA PRO A 225 29.108 18.039 9.132 1.00 5.78 H new ATOM 0 HB2 PRO A 225 27.008 19.509 8.799 1.00 7.13 H new ATOM 0 HB3 PRO A 225 28.054 19.502 7.643 1.00 7.13 H new ATOM 0 HG2 PRO A 225 25.682 17.902 7.755 1.00 10.92 H new ATOM 0 HG3 PRO A 225 26.132 18.777 6.545 1.00 10.92 H new ATOM 0 HD2 PRO A 225 26.697 16.306 6.510 1.00 7.87 H new ATOM 0 HD3 PRO A 225 27.736 17.308 5.921 1.00 7.87 H new ATOM 1556 N GLY A 226 27.692 18.102 11.211 1.00 7.73 N ATOM 1557 CA GLY A 226 26.951 17.814 12.421 1.00 6.65 C ATOM 1558 C GLY A 226 25.467 18.053 12.232 1.00 5.84 C ATOM 1559 O GLY A 226 25.038 18.877 11.418 1.00 5.11 O ATOM 0 H GLY A 226 28.253 18.751 11.268 1.00 7.73 H new ATOM 0 HA2 GLY A 226 27.101 16.892 12.682 1.00 6.65 H new ATOM 0 HA3 GLY A 226 27.280 18.371 13.144 1.00 6.65 H new ATOM 1560 N VAL A 227 24.670 17.296 12.992 1.00 4.82 N ATOM 1561 CA VAL A 227 23.215 17.386 12.990 1.00 3.71 C ATOM 1562 C VAL A 227 22.798 17.872 14.349 1.00 6.82 C ATOM 1563 O VAL A 227 23.312 17.413 15.386 1.00 5.64 O ATOM 1564 CB VAL A 227 22.529 16.068 12.559 1.00 4.88 C ATOM 1565 CG1 VAL A 227 21.017 16.284 12.359 1.00 5.27 C ATOM 1566 CG2 VAL A 227 23.139 15.554 11.257 1.00 4.40 C ATOM 0 H VAL A 227 24.973 16.702 13.535 1.00 4.82 H new ATOM 0 HA VAL A 227 22.918 18.019 12.317 1.00 3.71 H new ATOM 0 HB VAL A 227 22.667 15.414 13.262 1.00 4.88 H new ATOM 0 HG11 VAL A 227 20.604 15.449 12.089 1.00 5.27 H new ATOM 0 HG12 VAL A 227 20.620 16.587 13.191 1.00 5.27 H new ATOM 0 HG13 VAL A 227 20.874 16.952 11.671 1.00 5.27 H new ATOM 0 HG21 VAL A 227 22.701 14.728 10.998 1.00 4.40 H new ATOM 0 HG22 VAL A 227 23.018 16.217 10.559 1.00 4.40 H new ATOM 0 HG23 VAL A 227 24.086 15.390 11.386 1.00 4.40 H new ATOM 1567 N TYR A 228 21.856 18.832 14.326 1.00 3.94 N ATOM 1568 CA TYR A 228 21.409 19.591 15.478 1.00 3.15 C ATOM 1569 C TYR A 228 19.945 19.556 15.715 1.00 5.92 C ATOM 1570 O TYR A 228 19.161 19.606 14.761 1.00 4.57 O ATOM 1571 CB TYR A 228 21.907 21.035 15.323 1.00 3.00 C ATOM 1572 CG TYR A 228 23.414 21.070 15.203 1.00 3.78 C ATOM 1573 CD1 TYR A 228 24.219 21.007 16.334 1.00 4.52 C ATOM 1574 CD2 TYR A 228 24.038 21.034 13.950 1.00 4.67 C ATOM 1575 CE1 TYR A 228 25.603 20.948 16.235 1.00 6.28 C ATOM 1576 CE2 TYR A 228 25.427 20.974 13.838 1.00 3.68 C ATOM 1577 CZ TYR A 228 26.205 20.955 14.989 1.00 6.02 C ATOM 1578 OH TYR A 228 27.572 20.835 14.931 1.00 5.58 O ATOM 0 H TYR A 228 21.451 19.058 13.602 1.00 3.94 H new ATOM 0 HA TYR A 228 21.788 19.170 16.265 1.00 3.15 H new ATOM 0 HB2 TYR A 228 21.506 21.438 14.537 1.00 3.00 H new ATOM 0 HB3 TYR A 228 21.626 21.563 16.087 1.00 3.00 H new ATOM 0 HD1 TYR A 228 23.822 21.004 17.175 1.00 4.52 H new ATOM 0 HD2 TYR A 228 23.518 21.050 13.179 1.00 4.67 H new ATOM 0 HE1 TYR A 228 26.124 20.904 17.004 1.00 6.28 H new ATOM 0 HE2 TYR A 228 25.829 20.947 13.000 1.00 3.68 H new ATOM 0 HH TYR A 228 27.831 20.958 14.141 1.00 5.58 H new ATOM 1579 N THR A 229 19.553 19.487 16.999 1.00 3.47 N ATOM 1580 CA THR A 229 18.129 19.527 17.334 1.00 3.00 C ATOM 1581 C THR A 229 17.624 20.922 17.058 1.00 6.14 C ATOM 1582 O THR A 229 18.271 21.876 17.445 1.00 4.17 O ATOM 1583 CB THR A 229 17.894 19.132 18.778 1.00 4.05 C ATOM 1584 OG1 THR A 229 18.555 17.890 19.028 1.00 4.80 O ATOM 1585 CG2 THR A 229 16.394 19.081 19.136 1.00 5.18 C ATOM 0 H THR A 229 20.085 19.419 17.671 1.00 3.47 H new ATOM 0 HA THR A 229 17.643 18.887 16.790 1.00 3.00 H new ATOM 0 HB THR A 229 18.270 19.813 19.357 1.00 4.05 H new ATOM 0 HG1 THR A 229 18.330 17.600 19.783 1.00 4.80 H new ATOM 0 HG21 THR A 229 16.292 18.825 20.066 1.00 5.18 H new ATOM 0 HG22 THR A 229 15.998 19.955 18.996 1.00 5.18 H new ATOM 0 HG23 THR A 229 15.948 18.431 18.571 1.00 5.18 H new ATOM 1586 N LYS A 230 16.488 21.038 16.356 1.00 3.51 N ATOM 1587 CA LYS A 230 15.912 22.328 15.937 1.00 3.00 C ATOM 1588 C LYS A 230 15.132 22.956 17.068 1.00 6.76 C ATOM 1589 O LYS A 230 13.946 22.689 17.224 1.00 5.79 O ATOM 1590 CB LYS A 230 15.038 22.107 14.692 1.00 3.95 C ATOM 1591 CG LYS A 230 14.777 23.379 13.903 1.00 10.29 C ATOM 1592 CD LYS A 230 14.067 23.098 12.562 1.00 9.70 C ATOM 1593 CE LYS A 230 13.685 24.432 11.932 1.00 25.44 C ATOM 1594 NZ LYS A 230 13.153 24.338 10.533 1.00 26.56 N ATOM 0 H LYS A 230 16.023 20.359 16.106 1.00 3.51 H new ATOM 0 HA LYS A 230 16.623 22.947 15.708 1.00 3.00 H new ATOM 0 HB2 LYS A 230 15.469 21.459 14.114 1.00 3.95 H new ATOM 0 HB3 LYS A 230 14.190 21.724 14.965 1.00 3.95 H new ATOM 0 HG2 LYS A 230 14.234 23.982 14.435 1.00 10.29 H new ATOM 0 HG3 LYS A 230 15.618 23.831 13.733 1.00 10.29 H new ATOM 0 HD2 LYS A 230 14.651 22.599 11.969 1.00 9.70 H new ATOM 0 HD3 LYS A 230 13.277 22.554 12.706 1.00 9.70 H new ATOM 0 HE2 LYS A 230 13.017 24.859 12.490 1.00 25.44 H new ATOM 0 HE3 LYS A 230 14.465 25.009 11.930 1.00 25.44 H new ATOM 0 HZ1 LYS A 230 12.524 24.956 10.412 1.00 26.56 H new ATOM 0 HZ2 LYS A 230 13.815 24.472 9.954 1.00 26.56 H new ATOM 0 HZ3 LYS A 230 12.804 23.530 10.402 1.00 26.56 H new ATOM 1595 N VAL A 231 15.812 23.731 17.911 1.00 3.00 N ATOM 1596 CA VAL A 231 15.232 24.278 19.144 1.00 3.25 C ATOM 1597 C VAL A 231 13.929 25.062 18.926 1.00 6.02 C ATOM 1598 O VAL A 231 13.031 24.981 19.769 1.00 5.69 O ATOM 1599 CB VAL A 231 16.280 25.102 19.938 1.00 6.97 C ATOM 1600 CG1 VAL A 231 15.657 25.773 21.169 1.00 7.61 C ATOM 1601 CG2 VAL A 231 17.453 24.206 20.366 1.00 6.21 C ATOM 0 H VAL A 231 16.632 23.958 17.784 1.00 3.00 H new ATOM 0 HA VAL A 231 14.978 23.512 19.682 1.00 3.25 H new ATOM 0 HB VAL A 231 16.608 25.800 19.351 1.00 6.97 H new ATOM 0 HG11 VAL A 231 16.337 26.278 21.641 1.00 7.61 H new ATOM 0 HG12 VAL A 231 14.947 26.371 20.887 1.00 7.61 H new ATOM 0 HG13 VAL A 231 15.292 25.094 21.758 1.00 7.61 H new ATOM 0 HG21 VAL A 231 18.100 24.733 20.861 1.00 6.21 H new ATOM 0 HG22 VAL A 231 17.123 23.488 20.929 1.00 6.21 H new ATOM 0 HG23 VAL A 231 17.877 23.830 19.579 1.00 6.21 H new ATOM 1602 N CYS A 232 13.824 25.843 17.839 1.00 6.80 N ATOM 1603 CA CYS A 232 12.618 26.654 17.621 1.00 7.14 C ATOM 1604 C CYS A 232 11.331 25.816 17.620 1.00 11.16 C ATOM 1605 O CYS A 232 10.242 26.352 17.872 1.00 10.70 O ATOM 1606 CB CYS A 232 12.760 27.433 16.325 1.00 8.39 C ATOM 1607 SG CYS A 232 12.846 26.356 14.886 1.00 12.07 S ATOM 0 H CYS A 232 14.426 25.916 17.230 1.00 6.80 H new ATOM 0 HA CYS A 232 12.538 27.271 18.365 1.00 7.14 H new ATOM 0 HB2 CYS A 232 12.007 28.037 16.229 1.00 8.39 H new ATOM 0 HB3 CYS A 232 13.560 27.980 16.365 1.00 8.39 H new ATOM 1608 N ASN A 233 11.450 24.502 17.325 1.00 7.13 N ATOM 1609 CA ASN A 233 10.289 23.623 17.315 1.00 4.99 C ATOM 1610 C ASN A 233 9.825 23.243 18.714 1.00 8.49 C ATOM 1611 O ASN A 233 8.731 22.696 18.855 1.00 8.58 O ATOM 1612 CB ASN A 233 10.604 22.326 16.576 1.00 4.61 C ATOM 1613 CG ASN A 233 10.712 22.504 15.085 1.00 13.37 C ATOM 1614 OD1 ASN A 233 10.496 23.601 14.555 1.00 9.76 O ATOM 1615 ND2 ASN A 233 11.021 21.425 14.387 1.00 10.77 N ATOM 0 H ASN A 233 12.194 24.116 17.131 1.00 7.13 H new ATOM 0 HA ASN A 233 9.586 24.122 16.871 1.00 4.99 H new ATOM 0 HB2 ASN A 233 11.438 21.963 16.914 1.00 4.61 H new ATOM 0 HB3 ASN A 233 9.912 21.674 16.769 1.00 4.61 H new ATOM 0 HD21 ASN A 233 11.079 21.469 13.530 1.00 10.77 H new ATOM 0 HD22 ASN A 233 11.165 20.679 14.790 1.00 10.77 H new ATOM 1616 N TYR A 234 10.639 23.558 19.725 1.00 5.39 N ATOM 1617 CA TYR A 234 10.412 23.129 21.109 1.00 4.45 C ATOM 1618 C TYR A 234 10.149 24.227 22.103 1.00 6.84 C ATOM 1619 O TYR A 234 9.944 23.929 23.271 1.00 6.29 O ATOM 1620 CB TYR A 234 11.634 22.292 21.573 1.00 3.98 C ATOM 1621 CG TYR A 234 11.800 21.069 20.716 1.00 5.51 C ATOM 1622 CD1 TYR A 234 10.990 19.950 20.900 1.00 5.72 C ATOM 1623 CD2 TYR A 234 12.677 21.070 19.631 1.00 5.48 C ATOM 1624 CE1 TYR A 234 11.070 18.853 20.036 1.00 6.62 C ATOM 1625 CE2 TYR A 234 12.779 19.975 18.779 1.00 5.90 C ATOM 1626 CZ TYR A 234 11.977 18.868 18.992 1.00 7.53 C ATOM 1627 OH TYR A 234 12.078 17.792 18.147 1.00 8.31 O ATOM 0 H TYR A 234 11.348 24.034 19.625 1.00 5.39 H new ATOM 0 HA TYR A 234 9.591 22.612 21.092 1.00 4.45 H new ATOM 0 HB2 TYR A 234 12.437 22.834 21.530 1.00 3.98 H new ATOM 0 HB3 TYR A 234 11.518 22.029 22.500 1.00 3.98 H new ATOM 0 HD1 TYR A 234 10.387 19.932 21.608 1.00 5.72 H new ATOM 0 HD2 TYR A 234 13.205 21.819 19.474 1.00 5.48 H new ATOM 0 HE1 TYR A 234 10.516 18.117 20.163 1.00 6.62 H new ATOM 0 HE2 TYR A 234 13.382 19.987 18.071 1.00 5.90 H new ATOM 0 HH TYR A 234 11.468 17.241 18.320 1.00 8.31 H new ATOM 1628 N VAL A 235 10.124 25.477 21.662 1.00 5.60 N ATOM 1629 CA VAL A 235 9.965 26.600 22.582 1.00 4.15 C ATOM 1630 C VAL A 235 8.681 26.512 23.385 1.00 7.69 C ATOM 1631 O VAL A 235 8.734 26.772 24.592 1.00 7.41 O ATOM 1632 CB VAL A 235 10.129 27.949 21.839 1.00 7.99 C ATOM 1633 CG1 VAL A 235 9.795 29.132 22.757 1.00 9.07 C ATOM 1634 CG2 VAL A 235 11.549 28.084 21.279 1.00 8.45 C ATOM 0 H VAL A 235 10.197 25.699 20.834 1.00 5.60 H new ATOM 0 HA VAL A 235 10.678 26.550 23.237 1.00 4.15 H new ATOM 0 HB VAL A 235 9.502 27.961 21.099 1.00 7.99 H new ATOM 0 HG11 VAL A 235 9.906 29.962 22.268 1.00 9.07 H new ATOM 0 HG12 VAL A 235 8.877 29.056 23.062 1.00 9.07 H new ATOM 0 HG13 VAL A 235 10.391 29.126 23.522 1.00 9.07 H new ATOM 0 HG21 VAL A 235 11.636 28.933 20.817 1.00 8.45 H new ATOM 0 HG22 VAL A 235 12.189 28.046 22.007 1.00 8.45 H new ATOM 0 HG23 VAL A 235 11.722 27.359 20.658 1.00 8.45 H new ATOM 1635 N ASER A 236 7.561 26.076 22.766 0.50 5.99 N ATOM 1636 N BSER A 236 7.548 26.096 22.777 0.50 6.48 N ATOM 1637 CA ASER A 236 6.301 25.957 23.501 0.50 5.96 C ATOM 1638 CA BSER A 236 6.317 26.001 23.569 0.50 6.58 C ATOM 1639 C ASER A 236 6.413 24.877 24.561 0.50 8.83 C ATOM 1640 C BSER A 236 6.428 24.881 24.593 0.50 8.89 C ATOM 1641 O ASER A 236 5.998 25.091 25.695 0.50 9.94 O ATOM 1642 O BSER A 236 6.034 25.075 25.738 0.50 9.69 O ATOM 1643 CB ASER A 236 5.144 25.662 22.552 0.50 8.54 C ATOM 1644 CB BSER A 236 5.088 25.824 22.683 0.50 10.49 C ATOM 1645 OG ASER A 236 4.943 26.754 21.672 0.50 9.20 O ATOM 1646 OG BSER A 236 5.208 24.677 21.862 0.50 17.42 O ATOM 0 H ASER A 236 7.519 25.851 21.937 0.50 6.48 H new ATOM 0 H BSER A 236 7.478 25.876 21.949 0.50 6.48 H new ATOM 0 HA ASER A 236 6.120 26.804 23.939 0.50 6.58 H new ATOM 0 HA BSER A 236 6.204 26.838 24.045 0.50 6.58 H new ATOM 0 HB2ASER A 236 5.331 24.858 22.043 0.50 10.49 H new ATOM 0 HB2BSER A 236 4.296 25.747 23.237 0.50 10.49 H new ATOM 0 HB3ASER A 236 4.335 25.494 23.060 0.50 10.49 H new ATOM 0 HB3BSER A 236 4.970 26.611 22.128 0.50 10.49 H new ATOM 0 HG ASER A 236 4.306 26.582 21.153 0.50 17.42 H new ATOM 0 HG BSER A 236 5.993 24.381 21.907 0.50 17.42 H new ATOM 1647 N TRP A 237 7.014 23.725 24.208 1.00 5.35 N ATOM 1648 CA TRP A 237 7.200 22.632 25.170 1.00 4.87 C ATOM 1649 C TRP A 237 8.160 23.077 26.311 1.00 8.10 C ATOM 1650 O TRP A 237 7.885 22.854 27.479 1.00 6.07 O ATOM 1651 CB TRP A 237 7.744 21.384 24.472 1.00 3.84 C ATOM 1652 CG TRP A 237 8.203 20.320 25.429 1.00 4.81 C ATOM 1653 CD1 TRP A 237 7.409 19.490 26.164 1.00 7.15 C ATOM 1654 CD2 TRP A 237 9.555 20.018 25.802 1.00 4.72 C ATOM 1655 NE1 TRP A 237 8.181 18.668 26.949 1.00 6.65 N ATOM 1656 CE2 TRP A 237 9.504 18.962 26.741 1.00 8.26 C ATOM 1657 CE3 TRP A 237 10.814 20.492 25.393 1.00 6.68 C ATOM 1658 CZ2 TRP A 237 10.659 18.392 27.295 1.00 8.94 C ATOM 1659 CZ3 TRP A 237 11.958 19.908 25.925 1.00 8.57 C ATOM 1660 CH2 TRP A 237 11.871 18.868 26.858 1.00 9.48 C ATOM 0 H ATRP A 237 7.318 23.562 23.420 0.50 5.35 H new ATOM 0 H BTRP A 237 7.301 23.564 23.414 0.50 5.35 H new ATOM 0 HA TRP A 237 6.337 22.413 25.556 1.00 4.87 H new ATOM 0 HB2 TRP A 237 7.055 21.017 23.896 1.00 3.84 H new ATOM 0 HB3 TRP A 237 8.486 21.638 23.901 1.00 3.84 H new ATOM 0 HD1 TRP A 237 6.479 19.482 26.138 1.00 7.15 H new ATOM 0 HE1 TRP A 237 7.882 18.066 27.485 1.00 6.65 H new ATOM 0 HE3 TRP A 237 10.880 21.185 24.776 1.00 6.68 H new ATOM 0 HZ2 TRP A 237 10.607 17.718 27.934 1.00 8.94 H new ATOM 0 HZ3 TRP A 237 12.795 20.213 25.657 1.00 8.57 H new ATOM 0 HH2 TRP A 237 12.653 18.490 27.190 1.00 9.48 H new ATOM 1661 N ILE A 238 9.266 23.729 25.962 1.00 5.47 N ATOM 1662 CA ILE A 238 10.196 24.229 26.972 1.00 4.01 C ATOM 1663 C ILE A 238 9.479 25.214 27.920 1.00 5.90 C ATOM 1664 O ILE A 238 9.573 25.065 29.131 1.00 7.00 O ATOM 1665 CB ILE A 238 11.397 24.908 26.278 1.00 6.13 C ATOM 1666 CG1 ILE A 238 12.248 23.858 25.505 1.00 5.43 C ATOM 1667 CG2 ILE A 238 12.227 25.653 27.298 1.00 5.10 C ATOM 1668 CD1 ILE A 238 13.346 24.492 24.684 1.00 8.53 C ATOM 0 H ILE A 238 9.496 23.892 25.150 1.00 5.47 H new ATOM 0 HA ILE A 238 10.522 23.486 27.504 1.00 4.01 H new ATOM 0 HB ILE A 238 11.068 25.550 25.629 1.00 6.13 H new ATOM 0 HG12 ILE A 238 12.640 23.235 26.137 1.00 5.43 H new ATOM 0 HG13 ILE A 238 11.669 23.343 24.922 1.00 5.43 H new ATOM 0 HG21 ILE A 238 12.979 26.077 26.856 1.00 5.10 H new ATOM 0 HG22 ILE A 238 11.681 26.330 27.727 1.00 5.10 H new ATOM 0 HG23 ILE A 238 12.554 25.031 27.966 1.00 5.10 H new ATOM 0 HD11 ILE A 238 13.846 23.800 24.223 1.00 8.53 H new ATOM 0 HD12 ILE A 238 12.956 25.096 24.033 1.00 8.53 H new ATOM 0 HD13 ILE A 238 13.942 24.987 25.268 1.00 8.53 H new ATOM 1669 N LYS A 239 8.784 26.217 27.373 1.00 4.97 N ATOM 1670 CA LYS A 239 8.126 27.220 28.222 1.00 5.91 C ATOM 1671 C LYS A 239 7.070 26.612 29.135 1.00 8.91 C ATOM 1672 O LYS A 239 7.047 26.904 30.351 1.00 9.28 O ATOM 1673 CB LYS A 239 7.516 28.335 27.349 1.00 7.38 C ATOM 1674 CG LYS A 239 8.553 29.274 26.735 1.00 18.21 C ATOM 1675 CD LYS A 239 7.877 30.256 25.777 1.00 26.38 C ATOM 1676 CE LYS A 239 8.776 31.416 25.429 1.00 43.00 C ATOM 1677 NZ LYS A 239 8.311 32.108 24.197 1.00 57.80 N ATOM 0 H LYS A 239 8.682 26.335 26.527 1.00 4.97 H new ATOM 0 HA LYS A 239 8.806 27.600 28.799 1.00 5.91 H new ATOM 0 HB2 LYS A 239 6.997 27.929 26.637 1.00 7.38 H new ATOM 0 HB3 LYS A 239 6.900 28.855 27.888 1.00 7.38 H new ATOM 0 HG2 LYS A 239 9.013 29.761 27.436 1.00 18.21 H new ATOM 0 HG3 LYS A 239 9.224 28.759 26.260 1.00 18.21 H new ATOM 0 HD2 LYS A 239 7.622 29.791 24.965 1.00 26.38 H new ATOM 0 HD3 LYS A 239 7.061 30.590 26.181 1.00 26.38 H new ATOM 0 HE2 LYS A 239 8.797 32.045 26.167 1.00 43.00 H new ATOM 0 HE3 LYS A 239 9.683 31.098 25.301 1.00 43.00 H new ATOM 0 HZ1 LYS A 239 8.997 32.216 23.640 1.00 57.80 H new ATOM 0 HZ2 LYS A 239 7.682 31.619 23.801 1.00 57.80 H new ATOM 0 HZ3 LYS A 239 7.975 32.904 24.412 1.00 57.80 H new ATOM 1678 N GLN A 240 6.250 25.707 28.576 1.00 6.49 N ATOM 1679 CA GLN A 240 5.192 25.052 29.347 1.00 6.25 C ATOM 1680 C GLN A 240 5.800 24.162 30.402 1.00 8.80 C ATOM 1681 O GLN A 240 5.330 24.131 31.531 1.00 7.27 O ATOM 1682 CB GLN A 240 4.284 24.229 28.431 1.00 8.14 C ATOM 1683 CG GLN A 240 3.269 25.138 27.735 1.00 34.33 C ATOM 1684 CD GLN A 240 2.659 24.562 26.478 1.00 59.82 C ATOM 1685 OE1 GLN A 240 2.371 23.361 26.373 1.00 56.92 O ATOM 1686 NE2 GLN A 240 2.397 25.432 25.511 1.00 50.07 N ATOM 0 H GLN A 240 6.294 25.462 27.753 1.00 6.49 H new ATOM 0 HA GLN A 240 4.656 25.737 29.776 1.00 6.25 H new ATOM 0 HB2 GLN A 240 4.818 23.763 27.769 1.00 8.14 H new ATOM 0 HB3 GLN A 240 3.820 23.552 28.948 1.00 8.14 H new ATOM 0 HG2 GLN A 240 2.556 25.344 28.360 1.00 34.33 H new ATOM 0 HG3 GLN A 240 3.703 25.977 27.514 1.00 34.33 H new ATOM 0 HE21 GLN A 240 2.607 26.260 25.609 1.00 50.07 H new ATOM 0 HE22 GLN A 240 2.017 25.168 24.786 1.00 50.07 H new ATOM 1687 N THR A 241 6.871 23.443 30.039 1.00 7.87 N ATOM 1688 CA THR A 241 7.474 22.564 31.009 1.00 7.02 C ATOM 1689 C THR A 241 8.059 23.344 32.175 1.00 7.39 C ATOM 1690 O THR A 241 7.792 23.011 33.332 1.00 8.27 O ATOM 1691 CB THR A 241 8.482 21.635 30.329 1.00 8.06 C ATOM 1692 OG1 THR A 241 7.795 20.862 29.335 1.00 4.58 O ATOM 1693 CG2 THR A 241 9.180 20.743 31.347 1.00 9.13 C ATOM 0 H THR A 241 7.242 23.456 29.263 1.00 7.87 H new ATOM 0 HA THR A 241 6.787 21.997 31.394 1.00 7.02 H new ATOM 0 HB THR A 241 9.174 22.162 29.901 1.00 8.06 H new ATOM 0 HG1 THR A 241 7.709 21.318 28.635 1.00 4.58 H new ATOM 0 HG21 THR A 241 9.812 20.165 30.892 1.00 9.13 H new ATOM 0 HG22 THR A 241 9.652 21.294 31.991 1.00 9.13 H new ATOM 0 HG23 THR A 241 8.521 20.201 31.808 1.00 9.13 H new ATOM 1694 N AILE A 242 8.831 24.406 31.885 0.50 3.55 N ATOM 1695 N BILE A 242 8.827 24.402 31.880 0.50 5.21 N ATOM 1696 CA AILE A 242 9.416 25.247 32.932 0.50 3.00 C ATOM 1697 CA BILE A 242 9.464 25.182 32.936 0.50 5.49 C ATOM 1698 C AILE A 242 8.319 25.840 33.819 0.50 8.14 C ATOM 1699 C BILE A 242 8.407 25.970 33.763 0.50 9.89 C ATOM 1700 O AILE A 242 8.454 25.872 35.054 0.50 8.82 O ATOM 1701 O BILE A 242 8.642 26.196 34.948 0.50 10.47 O ATOM 1702 CB AILE A 242 10.296 26.350 32.284 0.50 5.57 C ATOM 1703 CB BILE A 242 10.663 26.026 32.400 0.50 9.55 C ATOM 1704 CG1AILE A 242 11.602 25.754 31.734 0.50 6.83 C ATOM 1705 CG1BILE A 242 10.228 27.170 31.468 0.50 11.81 C ATOM 1706 CG2AILE A 242 10.571 27.503 33.274 0.50 5.16 C ATOM 1707 CG2BILE A 242 11.697 25.092 31.726 0.50 9.92 C ATOM 1708 CD1AILE A 242 12.444 26.734 30.927 0.50 3.00 C ATOM 1709 CD1BILE A 242 11.376 27.991 30.811 0.50 21.10 C ATOM 0 H AILE A 242 9.025 24.652 31.084 0.50 5.21 H new ATOM 0 H BILE A 242 8.987 24.678 31.081 0.50 5.21 H new ATOM 0 HA AILE A 242 9.984 24.706 33.503 0.50 5.49 H new ATOM 0 HA BILE A 242 9.876 24.575 33.571 0.50 5.49 H new ATOM 0 HB AILE A 242 9.804 26.725 31.537 0.50 9.55 H new ATOM 0 HB BILE A 242 11.080 26.462 33.160 0.50 9.55 H new ATOM 0 HG12AILE A 242 12.132 25.422 32.476 0.50 11.81 H new ATOM 0 HG12BILE A 242 9.677 26.796 30.762 0.50 11.81 H new ATOM 0 HG13AILE A 242 11.387 24.991 31.175 0.50 11.81 H new ATOM 0 HG13BILE A 242 9.667 27.779 31.973 0.50 11.81 H new ATOM 0 HG21AILE A 242 11.121 28.175 32.843 0.50 9.92 H new ATOM 0 HG21BILE A 242 12.441 25.619 31.394 0.50 9.92 H new ATOM 0 HG22AILE A 242 9.730 27.901 33.549 0.50 9.92 H new ATOM 0 HG22BILE A 242 12.022 24.447 32.374 0.50 9.92 H new ATOM 0 HG23AILE A 242 11.034 27.157 34.053 0.50 9.92 H new ATOM 0 HG23BILE A 242 11.277 24.624 30.987 0.50 9.92 H new ATOM 0 HD11AILE A 242 13.248 26.290 30.614 0.50 21.10 H new ATOM 0 HD11BILE A 242 10.997 28.683 30.246 0.50 21.10 H new ATOM 0 HD12AILE A 242 11.933 27.050 30.166 0.50 21.10 H new ATOM 0 HD12BILE A 242 11.919 28.400 31.503 0.50 21.10 H new ATOM 0 HD13AILE A 242 12.689 27.488 31.486 0.50 21.10 H new ATOM 0 HD13BILE A 242 11.929 27.402 30.273 0.50 21.10 H new ATOM 1710 N ALA A 243 7.224 26.284 33.182 1.00 6.33 N ATOM 1711 CA ALA A 243 6.128 26.969 33.901 1.00 6.64 C ATOM 1712 C ALA A 243 5.406 26.029 34.872 1.00 9.55 C ATOM 1713 O ALA A 243 4.714 26.506 35.760 1.00 8.78 O ATOM 1714 CB ALA A 243 5.107 27.535 32.913 1.00 7.59 C ATOM 0 H AALA A 243 7.095 26.200 32.336 0.50 6.33 H new ATOM 0 H BALA A 243 7.040 26.104 32.361 0.50 6.33 H new ATOM 0 HA ALA A 243 6.533 27.689 34.409 1.00 6.64 H new ATOM 0 HB1 ALA A 243 4.397 27.980 33.401 1.00 7.59 H new ATOM 0 HB2 ALA A 243 5.543 28.172 32.326 1.00 7.59 H new ATOM 0 HB3 ALA A 243 4.733 26.813 32.385 1.00 7.59 H new ATOM 1715 N SER A 244 5.581 24.707 34.725 1.00 7.39 N ATOM 1716 CA SER A 244 4.849 23.740 35.542 1.00 7.31 C ATOM 1717 C SER A 244 5.693 22.808 36.400 1.00 9.05 C ATOM 1718 O SER A 244 5.125 21.972 37.119 1.00 8.06 O ATOM 1719 CB SER A 244 4.009 22.865 34.620 1.00 11.69 C ATOM 1720 OG SER A 244 3.218 23.700 33.796 1.00 16.66 O ATOM 0 H SER A 244 6.121 24.355 34.156 1.00 7.39 H new ATOM 0 HA SER A 244 4.331 24.280 36.159 1.00 7.31 H new ATOM 0 HB2 SER A 244 4.582 22.302 34.076 1.00 11.69 H new ATOM 0 HB3 SER A 244 3.443 22.274 35.141 1.00 11.69 H new ATOM 0 HG SER A 244 3.467 23.624 32.998 1.00 16.66 H new ATOM 1721 N ASN A 245 7.012 22.918 36.315 1.00 6.17 N ATOM 1722 CA ASN A 245 7.900 22.001 37.025 1.00 5.04 C ATOM 1723 C ASN A 245 8.875 22.735 37.898 1.00 9.83 C ATOM 1724 O ASN A 245 8.830 23.982 37.921 1.00 10.75 O ATOM 1725 CB ASN A 245 8.658 21.165 35.999 1.00 8.28 C ATOM 1726 CG ASN A 245 7.779 20.123 35.400 1.00 8.78 C ATOM 1727 OD1 ASN A 245 7.669 19.012 35.930 1.00 6.50 O ATOM 1728 ND2 ASN A 245 7.095 20.463 34.319 1.00 6.87 N ATOM 1729 OXT ASN A 245 9.698 22.065 38.538 1.00 11.78 O ATOM 0 H ASN A 245 7.416 23.518 35.850 1.00 6.17 H new ATOM 0 HA ASN A 245 7.363 21.434 37.600 1.00 5.04 H new ATOM 0 HB2 ASN A 245 9.004 21.742 35.300 1.00 8.28 H new ATOM 0 HB3 ASN A 245 9.422 20.743 36.422 1.00 8.28 H new ATOM 0 HD21 ASN A 245 6.550 19.902 33.961 1.00 6.87 H new ATOM 0 HD22 ASN A 245 7.195 21.245 33.975 1.00 6.87 H new TER 1730 ASN A 245 HETATM 1731 S DMS A 301 13.163 4.065 20.609 1.00 16.17 S HETATM 1732 O DMS A 301 12.291 5.007 21.368 1.00 16.14 O HETATM 1733 C1 DMS A 301 13.882 3.074 21.889 1.00 16.91 C HETATM 1734 C2 DMS A 301 11.958 2.923 19.952 1.00 12.81 C HETATM 0 H23 DMS A 301 12.409 2.244 19.426 1.00 12.81 H new HETATM 0 H22 DMS A 301 11.480 2.501 20.683 1.00 12.81 H new HETATM 0 H21 DMS A 301 11.330 3.403 19.390 1.00 12.81 H new HETATM 0 H13 DMS A 301 14.845 3.052 21.779 1.00 16.91 H new HETATM 0 H12 DMS A 301 13.664 3.455 22.754 1.00 16.91 H new HETATM 0 H11 DMS A 301 13.530 2.172 21.836 1.00 16.91 H new HETATM 1735 S DMS A 302 37.703 20.107 38.579 1.00 9.15 S HETATM 1736 O DMS A 302 36.373 20.738 38.847 1.00 8.52 O HETATM 1737 C1 DMS A 302 38.244 19.589 40.202 1.00 11.96 C HETATM 1738 C2 DMS A 302 37.359 18.460 37.955 1.00 7.37 C HETATM 0 H23 DMS A 302 38.185 18.046 37.661 1.00 7.37 H new HETATM 0 H22 DMS A 302 36.962 17.923 38.659 1.00 7.37 H new HETATM 0 H21 DMS A 302 36.743 18.519 37.208 1.00 7.37 H new HETATM 0 H13 DMS A 302 39.111 19.979 40.394 1.00 11.96 H new HETATM 0 H12 DMS A 302 37.602 19.885 40.867 1.00 11.96 H new HETATM 0 H11 DMS A 302 38.312 18.622 40.227 1.00 11.96 H new HETATM 1739 CA CA A 303 36.900 24.624 35.935 1.00 5.13 CA2+ HETATM 1740 C43 6WH A 304 31.926 11.525 24.687 1.00 8.41 C HETATM 1741 C46 6WH A 304 28.358 10.149 25.660 1.00 12.14 C HETATM 1742 C47 6WH A 304 28.053 8.951 24.984 1.00 13.31 C HETATM 1743 C49 6WH A 304 26.707 8.586 24.833 1.00 10.47 C HETATM 1744 C51 6WH A 304 25.628 9.379 25.310 1.00 7.84 C HETATM 1745 C53 6WH A 304 25.927 10.609 25.903 1.00 3.77 C HETATM 1746 C55 6WH A 304 27.285 10.956 26.076 1.00 10.16 C HETATM 1747 C57 6WH A 304 28.661 13.601 20.220 1.00 6.38 C HETATM 1748 C59 6WH A 304 28.700 14.140 18.826 1.00 6.51 C HETATM 1749 C60 6WH A 304 28.901 13.250 17.761 1.00 8.29 C HETATM 1750 C12 6WH A 304 23.118 6.386 21.220 1.00 21.86 C HETATM 1751 C15 6WH A 304 26.066 11.479 20.704 1.00 8.11 C HETATM 1752 C17 6WH A 304 27.205 11.659 19.644 1.00 7.53 C HETATM 1753 C21 6WH A 304 28.042 12.090 21.939 1.00 7.34 C HETATM 1754 C23 6WH A 304 26.752 11.215 22.039 1.00 8.27 C HETATM 1755 C26 6WH A 304 29.174 11.248 22.424 1.00 7.59 C HETATM 1756 C30 6WH A 304 30.518 10.917 24.470 1.00 8.58 C HETATM 1757 N1 6WH A 304 25.128 10.397 20.360 1.00 12.60 N HETATM 1758 N2 6WH A 304 24.901 10.082 19.075 1.00 11.83 N HETATM 1759 N3 6WH A 304 24.029 9.083 18.984 1.00 13.99 N HETATM 1760 C4 6WH A 304 23.688 8.796 20.350 1.00 13.37 C HETATM 1761 C5 6WH A 304 24.398 9.609 21.150 1.00 12.70 C HETATM 1762 C7 6WH A 304 22.651 7.702 20.565 1.00 20.04 C HETATM 1763 C9 6WH A 304 22.176 7.336 21.990 1.00 23.16 C HETATM 1764 N20 6WH A 304 28.020 12.453 20.537 1.00 7.66 N HETATM 1765 O27 6WH A 304 29.626 10.307 21.779 1.00 9.01 O HETATM 1766 N28 6WH A 304 29.535 11.642 23.643 1.00 7.07 N HETATM 1767 C32 6WH A 304 29.789 10.718 25.857 1.00 9.20 C HETATM 1768 C34 6WH A 304 30.546 9.751 26.800 1.00 10.14 C HETATM 1769 C37 6WH A 304 31.946 10.351 27.057 1.00 12.08 C HETATM 1770 C40 6WH A 304 32.726 10.698 25.747 1.00 10.60 C HETATM 1771 O58 6WH A 304 29.222 14.265 21.089 1.00 6.75 O HETATM 1772 C62 6WH A 304 28.962 13.800 16.479 1.00 8.89 C HETATM 1773 C63 6WH A 304 28.758 15.178 16.269 1.00 7.48 C HETATM 1774 C64 6WH A 304 28.547 16.047 17.336 1.00 5.16 C HETATM 1775 C66 6WH A 304 28.491 15.525 18.645 1.00 6.87 C HETATM 1776 C68 6WH A 304 28.791 15.732 14.845 1.00 6.15 C HETATM 1777 N71 6WH A 304 30.102 15.480 14.205 1.00 4.49 N HETATM 1778 O74 6WH A 304 29.169 13.037 15.348 1.00 8.95 O HETATM 1779 C75 6WH A 304 29.496 11.630 15.517 1.00 8.51 C HETATM 1780 O HOH A 401 8.663 28.156 36.654 1.00 26.51 O HETATM 1781 O HOH A 402 40.942 20.409 15.823 1.00 10.88 O HETATM 1782 O HOH A 403 37.179 17.332 27.139 1.00 21.19 O HETATM 1783 O HOH A 404 39.500 17.583 29.690 1.00 14.75 O HETATM 1784 O HOH A 405 32.272 40.943 34.193 1.00 19.48 O HETATM 1785 O HOH A 406 26.315 19.155 43.659 1.00 19.68 O HETATM 1786 O HOH A 407 37.643 27.456 13.386 1.00 13.82 O HETATM 1787 O HOH A 408 37.005 26.761 34.897 1.00 8.34 O HETATM 1788 O HOH A 409 30.916 17.724 6.594 1.00 19.47 O HETATM 1789 O HOH A 410 40.553 29.111 27.484 1.00 8.62 O HETATM 1790 O HOH A 411 35.893 22.782 37.161 1.00 5.52 O HETATM 1791 O HOH A 412 21.507 8.776 6.283 1.00 25.61 O HETATM 1792 O HOH A 413 28.939 34.707 24.276 1.00 18.92 O HETATM 1793 O HOH A 414 26.056 8.535 7.515 1.00 20.18 O HETATM 1794 O HOH A 415 40.438 19.853 10.904 1.00 19.18 O HETATM 1795 O HOH A 416 33.957 34.006 19.481 1.00 42.65 O HETATM 1796 O HOH A 417 41.256 28.769 31.460 1.00 14.66 O HETATM 1797 O HOH A 418 28.940 21.041 12.672 1.00 5.46 O HETATM 1798 O HOH A 419 18.732 33.214 15.825 1.00 16.23 O HETATM 1799 O HOH A 420 32.977 29.986 41.900 1.00 25.68 O HETATM 1800 O HOH A 421 16.122 31.523 27.851 1.00 13.83 O HETATM 1801 O HOH A 422 13.500 35.064 23.173 1.00 29.66 O HETATM 1802 O HOH A 423 19.449 7.990 24.210 1.00 7.19 O HETATM 1803 O HOH A 424 30.602 36.088 29.131 1.00 8.37 O HETATM 1804 O HOH A 425 27.058 10.952 39.100 1.00 30.98 O HETATM 1805 O HOH A 426 15.884 26.394 15.970 1.00 8.76 O HETATM 1806 O HOH A 427 12.914 33.008 10.795 1.00 43.54 O HETATM 1807 O HOH A 428 14.106 29.327 42.344 1.00 40.78 O HETATM 1808 O HOH A 429 9.734 5.517 20.775 1.00 25.14 O HETATM 1809 O HOH A 430 35.513 10.967 12.673 1.00 14.05 O HETATM 1810 O HOH A 431 28.660 14.246 24.547 1.00 7.62 O HETATM 1811 O HOH A 432 9.094 19.777 39.798 1.00 15.30 O HETATM 1812 O HOH A 433 43.100 26.918 40.481 1.00 15.09 O HETATM 1813 O HOH A 434 2.388 24.988 31.594 1.00 30.75 O HETATM 1814 O HOH A 435 23.586 9.823 28.617 1.00 15.70 O HETATM 1815 O HOH A 436 20.527 33.058 5.886 1.00 22.07 O HETATM 1816 O HOH A 437 13.508 6.847 22.904 1.00 7.25 O HETATM 1817 O HOH A 438 21.989 8.083 25.367 1.00 15.86 O HETATM 1818 O HOH A 439 7.011 22.738 21.387 1.00 10.68 O HETATM 1819 O HOH A 440 24.627 27.477 4.496 1.00 9.10 O HETATM 1820 O HOH A 441 27.637 28.532 21.659 1.00 5.27 O HETATM 1821 O HOH A 442 31.219 30.643 31.698 1.00 5.67 O HETATM 1822 O HOH A 443 17.224 20.640 7.854 1.00 15.94 O HETATM 1823 O HOH A 444 32.833 11.277 4.208 1.00 26.19 O HETATM 1824 O HOH A 445 12.203 21.789 9.970 1.00 39.75 O HETATM 1825 O HOH A 446 42.563 20.472 39.181 1.00 5.79 O HETATM 1826 O HOH A 447 44.406 27.303 23.598 1.00 28.02 O HETATM 1827 O HOH A 448 16.862 9.947 12.023 1.00 12.58 O HETATM 1828 O HOH A 449 20.978 31.392 43.827 1.00 35.34 O HETATM 1829 O HOH A 450 7.874 29.359 31.105 1.00 15.45 O HETATM 1830 O HOH A 451 38.296 35.315 29.308 1.00 29.14 O HETATM 1831 O HOH A 452 34.281 20.237 35.442 1.00 5.08 O HETATM 1832 O HOH A 453 15.507 21.768 44.882 1.00 25.27 O HETATM 1833 O HOH A 454 21.859 23.030 24.773 1.00 7.83 O HETATM 1834 O HOH A 455 18.028 3.150 21.076 1.00 13.86 O HETATM 1835 O HOH A 456 13.472 18.867 7.299 1.00 25.82 O HETATM 1836 O HOH A 457 36.427 23.514 6.415 1.00 40.51 O HETATM 1837 O HOH A 458 23.822 37.042 33.632 1.00 13.24 O HETATM 1838 O HOH A 459 30.075 25.725 32.319 1.00 6.39 O HETATM 1839 O HOH A 460 23.923 35.111 13.286 1.00 40.53 O HETATM 1840 O HOH A 461 10.442 25.992 37.083 1.00 14.60 O HETATM 1841 O HOH A 462 28.857 21.309 24.118 1.00 4.55 O HETATM 1842 O HOH A 463 22.885 27.891 43.594 1.00 15.50 O HETATM 1843 O HOH A 464 24.386 8.174 9.691 1.00 14.35 O HETATM 1844 O HOH A 465 8.529 19.149 13.595 1.00 27.66 O HETATM 1845 O HOH A 466 14.546 20.406 9.197 1.00 23.07 O HETATM 1846 O HOH A 467 27.406 35.552 40.872 1.00 21.85 O HETATM 1847 O HOH A 468 16.656 4.606 24.622 1.00 14.32 O HETATM 1848 O HOH A 469 26.872 32.000 5.858 1.00 38.31 O HETATM 1849 O HOH A 470 40.651 28.777 41.718 1.00 27.18 O HETATM 1850 O HOH A 471 28.565 6.309 10.908 1.00 23.37 O HETATM 1851 O HOH A 472 30.695 20.373 9.662 1.00 9.94 O HETATM 1852 O HOH A 473 18.996 13.177 35.663 1.00 18.07 O HETATM 1853 O HOH A 474 8.935 25.826 14.507 1.00 19.95 O HETATM 1854 O HOH A 475 29.772 15.084 39.700 1.00 16.33 O HETATM 1855 O HOH A 476 36.000 20.847 22.006 1.00 8.02 O HETATM 1856 O HOH A 477 26.676 21.556 44.717 1.00 35.02 O HETATM 1857 O HOH A 478 31.698 13.862 9.952 1.00 7.65 O HETATM 1858 O HOH A 479 37.029 31.076 34.959 1.00 8.65 O HETATM 1859 O HOH A 480 22.506 23.262 45.259 1.00 24.08 O HETATM 1860 O HOH A 481 42.190 18.313 22.547 1.00 16.28 O HETATM 1861 O HOH A 482 25.001 23.532 1.382 1.00 27.33 O HETATM 1862 O HOH A 483 28.974 6.616 34.808 1.00 31.18 O HETATM 1863 O HOH A 484 34.785 28.542 11.195 1.00 13.64 O HETATM 1864 O HOH A 485 25.079 8.155 36.264 1.00 33.82 O HETATM 1865 O HOH A 486 3.802 29.074 35.659 1.00 17.72 O HETATM 1866 O HOH A 487 16.731 33.027 40.279 1.00 22.87 O HETATM 1867 O HOH A 488 3.582 22.249 24.196 1.00 30.56 O HETATM 1868 O HOH A 489 21.394 36.332 29.784 1.00 13.88 O HETATM 1869 O HOH A 490 27.085 37.468 29.896 1.00 9.34 O HETATM 1870 O HOH A 491 35.795 28.908 36.123 1.00 6.31 O HETATM 1871 O HOH A 492 37.762 35.283 23.325 1.00 35.28 O HETATM 1872 O HOH A 493 5.138 15.241 21.903 1.00 34.05 O HETATM 1873 O HOH A 494 10.417 23.287 11.841 1.00 21.59 O HETATM 1874 O HOH A 495 8.837 9.678 18.486 1.00 10.41 O HETATM 1875 O HOH A 496 20.628 13.788 37.664 1.00 13.02 O HETATM 1876 O HOH A 497 26.998 41.335 30.236 1.00 33.50 O HETATM 1877 O HOH A 498 40.072 25.136 11.336 1.00 24.85 O HETATM 1878 O HOH A 499 19.662 33.393 40.970 1.00 32.07 O HETATM 1879 O HOH A 500 18.265 15.208 16.557 1.00 8.79 O HETATM 1880 O HOH A 501 14.275 21.704 41.987 1.00 28.32 O HETATM 1881 O HOH A 502 21.654 18.717 -2.161 1.00 44.65 O HETATM 1882 O HOH A 503 36.966 30.266 10.248 1.00 35.24 O HETATM 1883 O HOH A 504 38.202 28.550 26.189 1.00 8.06 O HETATM 1884 O HOH A 505 43.604 18.762 18.447 1.00 25.33 O HETATM 1885 O HOH A 506 18.565 24.370 -0.970 1.00 39.84 O HETATM 1886 O HOH A 507 29.236 25.688 43.310 1.00 15.07 O HETATM 1887 O HOH A 508 36.733 34.912 33.188 1.00 18.41 O HETATM 1888 O HOH A 509 11.545 8.531 14.987 1.00 9.56 O HETATM 1889 O HOH A 510 7.321 19.592 21.595 1.00 13.38 O HETATM 1890 O HOH A 511 17.955 34.598 28.452 1.00 36.84 O HETATM 1891 O HOH A 512 28.022 8.946 29.516 1.00 13.43 O HETATM 1892 O HOH A 513 12.241 31.557 32.679 1.00 30.83 O HETATM 1893 O HOH A 514 18.456 0.114 18.989 1.00 7.44 O HETATM 1894 O HOH A 515 18.259 9.087 26.672 1.00 9.49 O HETATM 1895 O HOH A 516 35.318 27.935 6.165 1.00 24.65 O HETATM 1896 O HOH A 517 36.765 11.792 15.801 1.00 31.56 O HETATM 1897 O HOH A 518 34.757 28.985 29.184 1.00 7.62 O HETATM 1898 O HOH A 519 39.262 33.225 20.933 1.00 13.69 O HETATM 1899 O HOH A 520 27.302 13.910 39.618 1.00 24.29 O HETATM 1900 O HOH A 521 21.664 15.026 40.308 1.00 22.34 O HETATM 1901 O HOH A 522 43.884 8.978 19.388 1.00 42.30 O HETATM 1902 O HOH A 523 24.050 8.584 5.802 1.00 26.13 O HETATM 1903 O HOH A 524 19.749 21.675 7.612 1.00 7.96 O HETATM 1904 O HOH A 525 29.136 8.763 14.177 1.00 11.16 O HETATM 1905 O HOH A 526 17.128 12.981 5.367 1.00 11.03 O HETATM 1906 O HOH A 527 2.384 22.208 37.547 1.00 15.58 O HETATM 1907 O HOH A 528 25.587 8.253 12.101 1.00 12.91 O HETATM 1908 O HOH A 529 42.540 22.278 26.359 1.00 21.25 O HETATM 1909 O HOH A 530 38.875 22.824 17.886 1.00 9.64 O HETATM 1910 O HOH A 531 32.418 30.173 28.413 1.00 5.93 O HETATM 1911 O HOH A 532 14.596 6.371 6.352 1.00 25.11 O HETATM 1912 O HOH A 533 30.681 36.266 15.921 1.00 22.30 O HETATM 1913 O HOH A 534 25.237 35.182 19.003 1.00 15.62 O HETATM 1914 O HOH A 535 25.393 28.627 42.793 1.00 17.09 O HETATM 1915 O HOH A 536 36.686 17.139 34.614 1.00 21.04 O HETATM 1916 O HOH A 537 43.800 16.989 29.339 1.00 18.68 O HETATM 1917 O HOH A 538 38.999 27.238 7.556 1.00 39.62 O HETATM 1918 O HOH A 539 10.886 13.678 34.815 1.00 18.97 O HETATM 1919 O HOH A 540 32.666 18.549 34.065 1.00 6.47 O HETATM 1920 O HOH A 541 23.462 25.235 2.691 1.00 16.38 O HETATM 1921 O HOH A 542 29.832 32.090 38.858 1.00 12.24 O HETATM 1922 O HOH A 543 30.678 19.947 25.659 1.00 4.60 O HETATM 1923 O HOH A 544 34.034 13.689 27.735 1.00 14.28 O HETATM 1924 O HOH A 545 21.245 23.850 -0.979 1.00 21.62 O HETATM 1925 O HOH A 546 20.240 7.951 28.103 1.00 29.96 O HETATM 1926 O HOH A 547 26.552 33.311 17.523 1.00 35.33 O HETATM 1927 O HOH A 548 28.014 28.587 32.396 1.00 8.34 O HETATM 1928 O HOH A 549 6.837 22.352 16.818 1.00 27.14 O HETATM 1929 O HOH A 550 17.972 16.765 -0.725 1.00 25.45 O HETATM 1930 O HOH A 551 21.629 6.935 30.695 1.00 28.41 O HETATM 1931 O HOH A 552 14.522 19.811 1.397 1.00 28.25 O HETATM 1932 O HOH A 553 24.555 35.079 9.553 1.00 19.23 O HETATM 1933 O HOH A 554 17.406 33.295 9.985 1.00 40.82 O HETATM 1934 O HOH A 555 26.087 17.539 15.844 1.00 14.13 O HETATM 1935 O HOH A 556 4.070 27.691 25.675 1.00 53.03 O HETATM 1936 O HOH A 557 11.237 26.209 9.655 1.00 24.31 O HETATM 1937 O HOH A 558 20.125 37.428 23.119 1.00 27.94 O HETATM 1938 O HOH A 559 20.439 35.575 25.386 1.00 20.39 O HETATM 1939 O HOH A 560 7.903 13.560 16.832 1.00 13.49 O HETATM 1940 O HOH A 561 17.867 7.634 11.202 1.00 23.38 O HETATM 1941 O HOH A 562 36.317 13.110 4.832 1.00 24.83 O HETATM 1942 O HOH A 563 29.234 25.678 4.961 1.00 9.20 O HETATM 1943 O HOH A 564 31.186 34.690 22.745 1.00 63.14 O HETATM 1944 O HOH A 565 25.086 17.498 0.985 1.00 20.63 O HETATM 1945 O HOH A 566 21.010 35.479 39.862 1.00 24.51 O HETATM 1946 O HOH A 567 32.600 23.335 3.233 1.00 17.86 O HETATM 1947 O HOH A 568 16.570 33.354 35.330 1.00 16.43 O HETATM 1948 O HOH A 569 9.783 29.151 17.792 1.00 29.90 O HETATM 1949 O HOH A 570 14.040 0.019 19.690 1.00 20.93 O HETATM 1950 O HOH A 571 25.510 34.678 7.031 1.00 15.60 O HETATM 1951 O HOH A 572 35.041 28.095 41.926 1.00 22.06 O HETATM 1952 O HOH A 573 18.871 38.775 17.826 1.00 28.83 O HETATM 1953 O HOH A 574 40.957 31.846 28.207 1.00 19.52 O HETATM 1954 O HOH A 575 14.382 30.728 37.309 1.00 21.43 O HETATM 1955 O HOH A 576 41.620 27.853 14.964 1.00 24.70 O HETATM 1956 O HOH A 577 23.576 20.973 44.304 1.00 12.36 O HETATM 1957 O HOH A 578 29.159 14.480 11.690 1.00 9.02 O HETATM 1958 O HOH A 579 41.671 24.008 15.238 1.00 27.74 O HETATM 1959 O HOH A 580 16.592 27.422 5.805 1.00 27.78 O HETATM 1960 O HOH A 581 10.880 32.474 22.551 1.00 31.08 O HETATM 1961 O HOH A 582 18.055 24.745 7.143 1.00 25.13 O HETATM 1962 O HOH A 583 31.795 12.272 0.111 1.00 33.58 O HETATM 1963 O HOH A 584 39.668 12.551 9.562 1.00 27.43 O HETATM 1964 O HOH A 585 17.519 34.307 33.011 1.00 14.89 O HETATM 1965 O HOH A 586 29.208 32.475 13.455 1.00 26.22 O HETATM 1966 O HOH A 587 41.734 22.573 40.572 1.00 8.17 O HETATM 1967 O HOH A 588 27.645 33.545 22.250 1.00 13.80 O HETATM 1968 O HOH A 589 42.689 28.345 19.490 1.00 28.45 O HETATM 1969 O HOH A 590 31.100 28.250 30.300 1.00 8.22 O HETATM 1970 O HOH A 591 28.860 40.198 36.352 1.00 38.55 O HETATM 1971 O HOH A 592 32.558 30.912 9.857 1.00 26.68 O HETATM 1972 O HOH A 593 35.909 15.277 32.939 1.00 10.44 O HETATM 1973 O HOH A 594 42.322 25.664 19.051 1.00 31.75 O HETATM 1974 O HOH A 595 9.146 7.015 18.560 1.00 15.13 O HETATM 1975 O HOH A 596 26.192 10.440 16.491 1.00 8.96 O HETATM 1976 O HOH A 597 43.602 26.062 31.552 1.00 22.08 O HETATM 1977 O HOH A 598 30.117 10.008 18.922 1.00 19.94 O HETATM 1978 O HOH A 599 25.053 8.697 14.782 1.00 25.71 O HETATM 1979 O HOH A 600 28.062 7.904 21.229 1.00 30.08 O HETATM 1980 O HOH A 601 17.338 5.509 12.799 1.00 22.48 O HETATM 1981 O HOH A 602 16.687 23.306 1.292 1.00 17.44 O HETATM 1982 O HOH A 603 9.088 8.619 22.744 1.00 14.38 O HETATM 1983 O HOH A 604 9.688 10.192 16.029 1.00 7.91 O HETATM 1984 O HOH A 605 29.592 23.698 3.180 1.00 13.22 O HETATM 1985 O HOH A 606 34.932 24.629 3.842 1.00 34.83 O HETATM 1986 O HOH A 607 16.823 25.200 3.959 1.00 16.10 O HETATM 1987 O HOH A 608 9.156 14.126 13.072 1.00 22.15 O HETATM 1988 O HOH A 609 5.587 22.682 39.954 1.00 25.51 O HETATM 1989 O HOH A 610 24.746 19.686 -1.078 1.00 42.85 O HETATM 1990 O HOH A 611 12.474 16.380 7.087 1.00 27.29 O HETATM 1991 O HOH A 612 7.851 15.807 14.864 1.00 32.79 O HETATM 1992 O HOH A 613 3.932 20.844 26.455 1.00 34.20 O HETATM 1993 O HOH A 614 31.623 17.745 9.246 1.00 12.54 O HETATM 1994 O HOH A 615 16.058 26.852 13.270 1.00 21.81 O HETATM 1995 O HOH A 616 8.267 13.627 29.068 1.00 13.01 O HETATM 1996 O HOH A 617 42.830 14.089 13.235 1.00 29.53 O HETATM 1997 O HOH A 618 41.186 15.774 28.722 1.00 13.96 O HETATM 1998 O HOH A 619 10.047 14.769 9.908 1.00 22.98 O HETATM 1999 O HOH A 620 14.162 32.774 26.553 1.00 17.98 O HETATM 2000 O HOH A 621 15.749 16.143 16.936 1.00 5.96 O HETATM 2001 O HOH A 622 12.595 3.219 16.580 1.00 8.76 O HETATM 2002 O HOH A 623 31.249 37.253 36.623 1.00 32.80 O HETATM 2003 O HOH A 624 21.492 35.825 32.431 1.00 7.83 O HETATM 2004 O HOH A 625 31.175 34.564 38.074 1.00 41.10 O HETATM 2005 O HOH A 626 17.710 28.485 44.949 1.00 24.57 O HETATM 2006 O HOH A 627 12.485 28.928 36.468 1.00 33.20 O HETATM 2007 O HOH A 628 21.875 6.559 34.334 1.00 27.76 O HETATM 2008 O HOH A 629 13.688 10.673 8.503 1.00 37.91 O HETATM 2009 O HOH A 630 25.830 34.739 15.380 1.00 32.46 O HETATM 2010 O HOH A 631 42.317 30.822 37.796 1.00 51.68 O HETATM 2011 O HOH A 632 20.206 9.877 13.567 1.00 36.38 O HETATM 2012 O HOH A 633 31.601 18.173 42.994 1.00 25.32 O HETATM 2013 O HOH A 634 5.767 29.613 22.734 1.00 40.95 O HETATM 2014 O HOH A 635 32.980 36.612 18.506 1.00 20.92 O HETATM 2015 O HOH A 636 16.774 25.408 11.144 1.00 25.81 O HETATM 2016 O HOH A 637 14.838 34.108 16.809 1.00 31.86 O HETATM 2017 O HOH A 638 41.902 16.550 13.282 1.00 25.98 O HETATM 2018 O HOH A 639 25.039 14.975 41.605 1.00 33.90 O HETATM 2019 O HOH A 640 15.473 33.916 30.838 1.00 42.98 O HETATM 2020 O HOH A 641 23.646 39.015 35.464 1.00 36.70 O HETATM 2021 O HOH A 642 15.462 12.227 2.884 1.00 27.21 O HETATM 2022 O HOH A 643 7.633 17.697 18.716 1.00 29.71 O HETATM 2023 O HOH A 644 6.918 25.788 18.821 1.00 21.87 O HETATM 2024 O HOH A 645 41.470 32.538 23.844 1.00 45.20 O HETATM 2025 O HOH A 646 10.798 5.905 14.197 1.00 15.93 O HETATM 2026 O HOH A 647 8.337 21.551 12.055 1.00 32.11 O HETATM 2027 O HOH A 648 30.239 35.083 8.004 1.00 32.42 O HETATM 2028 O HOH A 649 4.028 28.608 28.760 1.00 40.81 O HETATM 2029 O HOH A 650 12.087 9.897 12.781 1.00 18.26 O HETATM 2030 O HOH A 651 32.360 25.532 42.885 1.00 33.45 O HETATM 2031 O HOH A 652 41.945 20.394 13.191 1.00 31.61 O HETATM 2032 O HOH A 653 11.537 12.322 8.412 1.00 37.43 O HETATM 2033 O HOH A 654 28.106 34.810 6.226 1.00 20.04 O HETATM 2034 O HOH A 655 28.966 7.569 4.725 1.00 31.22 O HETATM 2035 O HOH A 656 19.046 36.719 33.294 1.00 23.38 O HETATM 2036 O HOH A 657 23.256 28.075 46.341 1.00 50.23 O HETATM 2037 O HOH A 658 33.087 33.063 21.739 1.00 16.98 O HETATM 2038 O HOH A 659 5.678 30.460 29.897 1.00 33.62 O HETATM 2039 O HOH A 660 6.156 9.997 18.810 1.00 30.13 O HETATM 2040 O HOH A 661 6.727 24.319 14.942 1.00 41.57 O HETATM 2041 O HOH A 662 45.419 16.765 25.779 1.00 22.77 O HETATM 2042 O HOH A 663 24.891 38.675 31.171 1.00 18.90 O HETATM 2043 O HOH A 664 9.934 11.099 11.623 1.00 27.60 O HETATM 2044 O HOH A 665 39.613 31.425 34.158 1.00 19.74 O HETATM 2045 O HOH A 666 17.054 35.155 37.330 1.00 21.66 O HETATM 2046 O HOH A 667 30.875 29.961 5.140 1.00 33.50 O HETATM 2047 O HOH A 668 30.352 15.397 42.326 1.00 31.47 O HETATM 2048 O HOH A 669 25.661 37.938 15.666 1.00 19.35 O HETATM 2049 O HOH A 670 8.453 5.108 15.587 1.00 48.76 O HETATM 2050 O HOH A 671 30.852 34.312 18.591 1.00 37.38 O HETATM 2051 O HOH A 672 43.572 28.440 38.301 1.00 24.34 O HETATM 2052 O HOH A 673 7.573 10.416 14.351 1.00 37.70 O HETATM 2053 O HOH A 674 41.276 32.757 19.159 1.00 13.92 O HETATM 2054 O HOH A 675 14.222 9.464 11.147 1.00 18.58 O HETATM 2055 O HOH A 676 7.660 30.283 33.751 1.00 27.79 O HETATM 2056 O HOH A 677 30.426 32.331 41.521 1.00 35.80 O HETATM 2057 O HOH A 678 28.108 30.030 4.449 1.00 32.38 O HETATM 2058 O HOH A 679 9.417 13.672 37.094 1.00 20.00 O HETATM 2059 O HOH A 680 41.615 22.429 18.238 1.00 32.32 O HETATM 2060 O HOH A 681 20.495 4.110 21.889 1.00 24.41 O HETATM 2061 O HOH A 682 43.082 30.931 20.067 1.00 41.01 O HETATM 2062 O HOH A 683 14.628 22.143 -0.025 1.00 44.18 O HETATM 2063 O HOH A 684 9.960 30.832 35.047 1.00 35.23 O HETATM 2064 O HOH A 685 21.899 27.134 1.185 1.00 17.17 O HETATM 2065 O HOH A 686 15.464 17.649 -0.160 1.00 29.69 O HETATM 2066 O HOH A 687 43.607 28.405 30.159 1.00 31.07 O HETATM 2067 O HOH A 688 20.248 5.390 24.269 1.00 44.44 O HETATM 2068 O HOH A 689 43.487 20.662 22.898 1.00 29.08 O HETATM 2069 O HOH A 690 25.290 7.883 28.595 1.00 19.50 O HETATM 2070 O HOH A 691 18.364 31.182 44.909 1.00 25.44 O HETATM 2071 O HOH A 692 30.910 9.368 3.671 1.00 16.89 O HETATM 2072 O HOH A 693 44.639 18.779 15.939 1.00 39.08 O HETATM 2073 O HOH A 694 19.572 5.512 29.648 1.00 42.03 O HETATM 2074 O HOH A 695 13.934 33.804 35.024 1.00 34.22 O HETATM 2075 O HOH A 696 43.213 28.456 27.402 1.00 14.64 O HETATM 2076 O HOH A 697 36.782 28.532 44.022 1.00 31.13 O HETATM 2077 O HOH A 698 39.324 29.451 43.972 1.00 45.96 O HETATM 2078 O HOH A 699 27.271 27.263 3.991 1.00 14.98 O HETATM 2079 O HOH A 700 34.036 27.359 3.913 1.00 24.16 O HETATM 2080 O HOH A 701 28.246 34.592 19.793 1.00 25.80 O HETATM 2081 O HOH A 702 27.657 24.078 1.288 1.00 24.42 O HETATM 2082 O HOH A 703 31.186 27.496 3.992 1.00 19.74 O HETATM 2083 O HOH A 704 3.345 30.854 31.756 1.00 40.00 O HETATM 2084 O HOH A 705 30.325 27.284 1.131 1.00 43.46 O HETATM 2085 O HOH A 706 27.450 26.790 1.379 1.00 30.97 O CONECT 48 1062 CONECT 192 321 CONECT 321 192 CONECT 412 1739 CONECT 425 1739 CONECT 449 1739 CONECT 489 1739 CONECT 865 1607 CONECT 907 1403 CONECT 1062 48 CONECT 1145 1257 CONECT 1257 1145 CONECT 1341 1508 CONECT 1403 907 CONECT 1508 1341 CONECT 1607 865 CONECT 1731 1732 1733 1734 CONECT 1732 1731 CONECT 1733 1731 CONECT 1734 1731 CONECT 1735 1736 1737 1738 CONECT 1736 1735 CONECT 1737 1735 CONECT 1738 1735 CONECT 1739 412 425 449 489 CONECT 1739 1787 1790 CONECT 1740 1756 1770 CONECT 1741 1742 1746 1767 CONECT 1742 1741 1743 CONECT 1743 1742 1744 CONECT 1744 1743 1745 CONECT 1745 1744 1746 CONECT 1746 1741 1745 CONECT 1747 1748 1764 1771 CONECT 1748 1747 1749 1775 CONECT 1749 1748 1772 CONECT 1750 1762 1763 CONECT 1751 1752 1754 1757 CONECT 1752 1751 1764 CONECT 1753 1754 1755 1764 CONECT 1754 1751 1753 CONECT 1755 1753 1765 1766 CONECT 1756 1740 1766 1767 CONECT 1757 1751 1758 1761 CONECT 1758 1757 1759 CONECT 1759 1758 1760 CONECT 1760 1759 1761 1762 CONECT 1761 1757 1760 CONECT 1762 1750 1760 1763 CONECT 1763 1750 1762 CONECT 1764 1747 1752 1753 CONECT 1765 1755 CONECT 1766 1755 1756 CONECT 1767 1741 1756 1768 CONECT 1768 1767 1769 CONECT 1769 1768 1770 CONECT 1770 1740 1769 CONECT 1771 1747 CONECT 1772 1749 1773 1778 CONECT 1773 1772 1774 1776 CONECT 1774 1773 1775 CONECT 1775 1748 1774 CONECT 1776 1773 1777 CONECT 1777 1776 CONECT 1778 1772 1779 CONECT 1779 1778 CONECT 1787 1739 CONECT 1790 1739 END