USER MOD reduce.3.24.130724 H: found=0, std=0, add=2174, rem=0, adj=67 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER LYASE/LYASE INHIBITOR 01-JUL-13 4LHI TITLE CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE ISOZYME II WITH 5- TITLE 2 (PHENYLSULFONYL)THIOPHENE-2-SULFONAMIDE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CARBONIC ANHYDRASE 2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CARBONATE DEHYDRATASE II, CARBONIC ANHYDRASE C, CAC, COMPND 5 CARBONIC ANHYDRASE II, CA-II; COMPND 6 EC: 4.2.1.1; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CA2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET15B KEYWDS DRUG DESIGN, CARBONIC ANHYDRASE, BENZENESULFONAMIDE, METAL-BINDING, KEYWDS 2 LYASE-LYASE INHIBITOR COMPLEX EXPDTA X-RAY DIFFRACTION AUTHOR A.SMIRNOV,E.MANAKOVA,S.GRAZULIS REVDAT 1 02-JUL-14 4LHI 0 JRNL AUTH A.SMIRNOV,E.MANAKOVA,S.GRAZULIS,D.MATULIS JRNL TITL CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE ISOZYME II JRNL TITL 2 WITH 5-(PHENYLSULFONYL)THIOPHENE-2-SULFONAMIDE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 2 REMARK 2 RESOLUTION. 1.60 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.6.0117 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.60 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 22.56 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 3 NUMBER OF REFLECTIONS : 30923 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) : 0.189 REMARK 3 R VALUE (WORKING SET) : 0.185 REMARK 3 FREE R VALUE : 0.225 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 3105 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.60 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.64 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1855 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 89.80 REMARK 3 BIN R VALUE (WORKING SET) : 0.7650 REMARK 3 BIN FREE R VALUE SET COUNT : 215 REMARK 3 BIN FREE R VALUE : 0.7760 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2049 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 27 REMARK 3 SOLVENT ATOMS : 233 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 22.46 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.56 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.01000 REMARK 3 B22 (A**2) : -0.64000 REMARK 3 B33 (A**2) : 0.64000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.03000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.114 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.111 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.966 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.950 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2290 ; 0.021 ; 0.020 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3132 ; 2.158 ; 1.960 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 287 ; 6.974 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 105 ;36.689 ;24.762 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 383 ;15.179 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 8 ;14.814 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 324 ; 0.159 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1795 ; 0.012 ; 0.021 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN REMARK 3 THE INPUT U VALUES: REFINED INDIVIDUALLY REMARK 4 REMARK 4 4LHI COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-JUL-13. REMARK 100 THE RCSB ID CODE IS RCSB080636. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 07-MAR-13 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 8 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU MICROMAX-007 HF REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : VARIMAX-HF MIRROR REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IV++ REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM REMARK 200 DATA SCALING SOFTWARE : SCALA REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30936 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.600 REMARK 200 RESOLUTION RANGE LOW (A) : 22.561 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.5 REMARK 200 DATA REDUNDANCY : 5.700 REMARK 200 R MERGE (I) : 0.05200 REMARK 200 R SYM (I) : 0.05200 REMARK 200 FOR THE DATA SET : 13.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.60 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 REMARK 200 COMPLETENESS FOR SHELL (%) : 93.3 REMARK 200 DATA REDUNDANCY IN SHELL : 5.00 REMARK 200 R MERGE FOR SHELL (I) : 0.39100 REMARK 200 R SYM FOR SHELL (I) : 0.39100 REMARK 200 FOR SHELL : 1.400 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: 3HLJ REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 40.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.10 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M SODIUM BICINE (PH 9), 2M SODIUM REMARK 280 MALONATE (PH 7), VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 20.61350 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A 1 REMARK 465 SER A 2 REMARK 465 HIS A 3 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 77 79.76 54.93 REMARK 500 LYS A 111 -1.86 69.71 REMARK 500 PHE A 176 78.10 -152.16 REMARK 500 ASN A 244 50.30 -93.03 REMARK 500 LYS A 252 -143.44 60.50 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 301 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 94 NE2 REMARK 620 2 WWL A 304 N4 110.0 REMARK 620 3 HIS A 96 NE2 105.2 109.4 REMARK 620 4 HIS A 119 ND1 114.2 116.3 100.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 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 DMS A 303 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE WWL A 304 DBREF 4LHI A 1 261 UNP P00918 CAH2_HUMAN 1 260 SEQRES 1 A 260 MET SER HIS HIS TRP GLY TYR GLY LYS HIS ASN GLY PRO SEQRES 2 A 260 GLU HIS TRP HIS LYS ASP PHE PRO ILE ALA LYS GLY GLU SEQRES 3 A 260 ARG GLN SER PRO VAL ASP ILE ASP THR HIS THR ALA LYS SEQRES 4 A 260 TYR ASP PRO SER LEU LYS PRO LEU SER VAL SER TYR ASP SEQRES 5 A 260 GLN ALA THR SER LEU ARG ILE LEU ASN ASN GLY HIS ALA SEQRES 6 A 260 PHE ASN VAL GLU PHE ASP ASP SER GLN ASP LYS ALA VAL SEQRES 7 A 260 LEU LYS GLY GLY PRO LEU ASP GLY THR TYR ARG LEU ILE SEQRES 8 A 260 GLN PHE HIS PHE HIS TRP GLY SER LEU ASP GLY GLN GLY SEQRES 9 A 260 SER GLU HIS THR VAL ASP LYS LYS LYS TYR ALA ALA GLU SEQRES 10 A 260 LEU HIS LEU VAL HIS TRP ASN THR LYS TYR GLY ASP PHE SEQRES 11 A 260 GLY LYS ALA VAL GLN GLN PRO ASP GLY LEU ALA VAL LEU SEQRES 12 A 260 GLY ILE PHE LEU LYS VAL GLY SER ALA LYS PRO GLY LEU SEQRES 13 A 260 GLN LYS VAL VAL ASP VAL LEU ASP SER ILE LYS THR LYS SEQRES 14 A 260 GLY LYS SER ALA ASP PHE THR ASN PHE ASP PRO ARG GLY SEQRES 15 A 260 LEU LEU PRO GLU SER LEU ASP TYR TRP THR TYR PRO GLY SEQRES 16 A 260 SER LEU THR THR PRO PRO LEU LEU GLU CYS VAL THR TRP SEQRES 17 A 260 ILE VAL LEU LYS GLU PRO ILE SER VAL SER SER GLU GLN SEQRES 18 A 260 VAL LEU LYS PHE ARG LYS LEU ASN PHE ASN GLY GLU GLY SEQRES 19 A 260 GLU PRO GLU GLU LEU MET VAL ASP ASN TRP ARG PRO ALA SEQRES 20 A 260 GLN PRO LEU LYS ASN ARG GLN ILE LYS ALA SER PHE LYS HET ZN A 301 1 HET DMS A 302 4 HET DMS A 303 4 HET WWL A 304 18 HETNAM ZN ZINC ION HETNAM DMS DIMETHYL SULFOXIDE HETNAM WWL 5-(PHENYLSULFONYL)THIOPHENE-2-SULFONAMIDE FORMUL 2 ZN ZN 2+ FORMUL 3 DMS 2(C2 H6 O S) FORMUL 5 WWL C10 H9 N O4 S3 FORMUL 6 HOH *233(H2 O) HELIX 1 1 GLY A 12 ASP A 19 5 8 HELIX 2 2 PHE A 20 GLY A 25 5 6 HELIX 3 3 LYS A 127 GLY A 129 5 3 HELIX 4 4 ASP A 130 VAL A 135 1 6 HELIX 5 5 LYS A 154 GLY A 156 5 3 HELIX 6 6 LEU A 157 LEU A 164 1 8 HELIX 7 7 ASP A 165 LYS A 168 5 4 HELIX 8 8 ASP A 180 LEU A 185 5 6 HELIX 9 9 SER A 219 ARG A 227 1 9 SHEET 1 A 2 ASP A 32 ILE A 33 0 SHEET 2 A 2 THR A 108 VAL A 109 1 O THR A 108 N ILE A 33 SHEET 1 B10 LYS A 39 TYR A 40 0 SHEET 2 B10 LYS A 257 ALA A 258 1 O ALA A 258 N LYS A 39 SHEET 3 B10 TYR A 191 GLY A 196 -1 N THR A 193 O LYS A 257 SHEET 4 B10 VAL A 207 LEU A 212 -1 O VAL A 207 N GLY A 196 SHEET 5 B10 LEU A 141 VAL A 150 1 N GLY A 145 O LEU A 212 SHEET 6 B10 ALA A 116 ASN A 124 -1 N LEU A 118 O ILE A 146 SHEET 7 B10 TYR A 88 TRP A 97 -1 N HIS A 94 O HIS A 119 SHEET 8 B10 PHE A 66 PHE A 70 -1 N PHE A 70 O ILE A 91 SHEET 9 B10 SER A 56 ASN A 61 -1 N LEU A 57 O GLU A 69 SHEET 10 B10 SER A 173 ASP A 175 -1 O ALA A 174 N ILE A 59 SHEET 1 C 6 LEU A 47 SER A 50 0 SHEET 2 C 6 VAL A 78 GLY A 81 -1 O LYS A 80 N SER A 48 SHEET 3 C 6 TYR A 88 TRP A 97 -1 O TYR A 88 N LEU A 79 SHEET 4 C 6 ALA A 116 ASN A 124 -1 O HIS A 119 N HIS A 94 SHEET 5 C 6 LEU A 141 VAL A 150 -1 O ILE A 146 N LEU A 118 SHEET 6 C 6 ILE A 216 VAL A 218 1 O ILE A 216 N PHE A 147 LINK NE2 HIS A 94 ZN ZN A 301 1555 1555 1.99 LINK ZN ZN A 301 N4 WWL A 304 1555 1555 1.99 LINK NE2 HIS A 96 ZN ZN A 301 1555 1555 2.01 LINK ND1 HIS A 119 ZN ZN A 301 1555 1555 2.05 CISPEP 1 SER A 29 PRO A 30 0 -0.84 CISPEP 2 PRO A 201 PRO A 202 0 4.98 SITE *** AC1 4 HIS A 94 HIS A 96 HIS A 119 WWL A 304 SITE *** AC2 4 TYR A 7 ASP A 243 TRP A 245 HOH A 540 SITE *** AC3 8 ASN A 62 HIS A 64 ASN A 67 GLN A 92 SITE *** AC3 8 HIS A 94 THR A 200 WWL A 304 HOH A 537 SITE *** AC4 12 GLN A 92 HIS A 94 HIS A 96 HIS A 119 SITE *** AC4 12 PHE A 131 VAL A 143 LEU A 198 THR A 199 SITE *** AC4 12 THR A 200 TRP A 209 ZN A 301 DMS A 303 CRYST1 41.957 41.227 71.278 90.00 104.25 90.00 P 1 21 1 2 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.023834 0.000000 0.006053 0.00000 SCALE2 0.000000 0.024256 0.000000 0.00000 SCALE3 0.000000 0.000000 0.014475 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 94 HIS HE2 : A 94 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 96 HIS HE2 : A 96 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 119 HIS HD1 : A 119 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 177 THR OG1 : rot 93:sc= 0.31 USER MOD Set 1.2: A 178 ASN :FLIP amide:sc= 0.292 F(o=0.053,f=0.6) USER MOD Set 2.1: A 158 GLN : amide:sc= 0.296 K(o=1.7,f=-6!) USER MOD Set 2.2: A 222 GLN : amide:sc= 1.44 K(o=1.7,f=-5.9!) USER MOD Set 3.1: A 152 SER OG A: rot 86:sc= 0.316 USER MOD Set 3.2: A 217 SER OG B: rot -48:sc= 0.638! USER MOD Set 4.1: A 29 SER OG : rot -92:sc= 1.01 USER MOD Set 4.2: A 107 HIS : no HE2:sc= 2.23 K(o=5.4,f=-7.2!) USER MOD Set 4.3: A 194 TYR OH : rot -30:sc= 2.19 USER MOD Set 5.1: A 88 TYR OH : rot -137:sc= 2.77 USER MOD Set 5.2: A 124 ASN : amide:sc= 1.69 K(o=4.5,f=-1.1!) USER MOD Set 6.1: A 87 THR OG1B: rot 144:sc= 0.726 USER MOD Set 6.2: A 125 THR OG1 : rot -127:sc= 0.564 USER MOD Set 7.1: A 67 ASN : amide:sc= 0.559 K(o=0.42,f=-3.7) USER MOD Set 7.2: A 92 GLN : amide:sc= 0.54 K(o=0.42,f=-7.7!) USER MOD Set 7.3: A 303 DMS C2 :methyl 179:sc= -0.681 (180deg=-0.345) USER MOD Set 8.1: A 61 ASN : amide:sc= 0.0876 K(o=0.088,f=-7.3!) USER MOD Set 8.2: A 241 MET CE :methyl -117:sc= 0 (180deg=-0.00767) USER MOD Set 9.1: A 51 TYR OH : rot -33:sc= 1.32 USER MOD Set 9.2: A 122 HIS : no HE2:sc= 1.02 K(o=2.3,f=-8.4!) USER MOD Set10.1: A 15 HIS : no HD1:sc= -0.693! C(o=2.1!,f=-14!) USER MOD Set10.2: A 18 LYS NZ A:NH3+ -174:sc= 2.6 (180deg=1.29) USER MOD Set10.3: A 18 LYS NZ B:NH3+ 169:sc= 0.218 (180deg=0) USER MOD Single : A 4 HIS A: no HD1:sc= 0.0458 X(o=0.046,f=-0.011) USER MOD Single : A 4 HIS B: no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 7 TYR OH : rot -3:sc= 2.11 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.941 K(o=-0.94,f=-1.4) USER MOD Single : A 11 ASN : amide:sc= -0.567 K(o=-0.57,f=-6.3!) USER MOD Single : A 17 HIS : no HD1:sc= -0.413 K(o=-0.41,f=-3.7!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.974 K(o=0.97,f=-5.7!) USER MOD Single : A 35 THR OG1 : rot -125:sc= 2.22 USER MOD Single : A 36 HIS : no HE2:sc= -0.129! C(o=-0.13!,f=-7.6!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -61:sc= 0.438 USER MOD Single : A 45 LYS NZ :NH3+ 141:sc= -0.267 (180deg=-1.18!) USER MOD Single : A 48 SER OG : rot -87:sc= 1.24 USER MOD Single : A 50 SER OG : rot 126:sc= 1.34 USER MOD Single : A 53 GLN A: amide:sc= -0.0114 X(o=-0.011,f=-0.44) USER MOD Single : A 53 GLN B: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -68:sc= 0.0247 USER MOD Single : A 56 SER OG : rot 92:sc= 1.53 USER MOD Single : A 62 ASN : amide:sc= 0.421 K(o=0.42,f=-7.6!) USER MOD Single : A 64 HIS : no HD1:sc= 0.882 K(o=0.88,f=-3.3!) USER MOD Single : A 73 SER OG : rot -74:sc= 0.952 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ -144:sc= 0.811 (180deg=-0.168) USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 0.602 (180deg=0.271) USER MOD Single : A 87 THR OG1A: rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -107:sc= 0.54 USER MOD Single : A 103 GLN : amide:sc= 1.68 K(o=1.7,f=-1.3) USER MOD Single : A 105 SER OG : rot 101:sc= 0.897 USER MOD Single : A 108 THR OG1 : rot 83:sc= 2.31 USER MOD Single : A 111 LYS NZ :NH3+ -169:sc= 0.01 (180deg=0.00435) USER MOD Single : A 112 LYS NZ :NH3+ 161:sc= 1.82 (180deg=1.66) USER MOD Single : A 113 LYS NZ :NH3+ 157:sc= 0.294 (180deg=0.167) USER MOD Single : A 114 TYR OH : rot -147:sc= 2.14 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot -149:sc= 2.15 USER MOD Single : A 133 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 GLN A: amide:sc= 0.933 K(o=0.93,f=-0.15) USER MOD Single : A 136 GLN B: amide:sc= 0.325 X(o=0.33,f=0.23) USER MOD Single : A 137 GLN : amide:sc= 1.03 K(o=1,f=-0.69) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 SER OG B: rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 177:sc= 0.0358 (180deg=0.0346) USER MOD Single : A 159 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 LYS NZ B:NH3+ -149:sc= 0.766 (180deg=-1.23!) USER MOD Single : A 166 SER OG : rot -66:sc= 1.39 USER MOD Single : A 168 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 THR OG1 : rot 110:sc= 1.27 USER MOD Single : A 170 LYS NZ A:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 LYS NZ B:NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 172 LYS NZ :NH3+ 170:sc= 0.37 (180deg=0.347) USER MOD Single : A 173 SER OG A: rot -98:sc= 0.637 USER MOD Single : A 173 SER OG B: rot -150:sc= -2.78! USER MOD Single : A 188 SER OG : rot 180:sc= 0.122 USER MOD Single : A 191 TYR OH : rot -163:sc= -0.467 USER MOD Single : A 193 THR OG1 : rot 45:sc= 1.79 USER MOD Single : A 197 SER OG : rot 83:sc= 1.28 USER MOD Single : A 199 THR OG1 : rot 157:sc= 1.14 USER MOD Single : A 200 THR OG1 : rot 86:sc= 0.162 USER MOD Single : A 206 CYS SG : rot 180:sc= 0 USER MOD Single : A 208 THR OG1 : rot 94:sc= 2.6 USER MOD Single : A 213 LYS NZ :NH3+ -161:sc= -1.19 (180deg=-1.67!) USER MOD Single : A 217 SER OG A: rot -149:sc= -0.0389 USER MOD Single : A 219 SER OG : rot -179:sc= 1.29 USER MOD Single : A 220 SER OG A: rot -78:sc= 0 USER MOD Single : A 220 SER OG B: rot 17:sc= 0.738 USER MOD Single : A 225 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 228 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 230 ASN : amide:sc= -0.794 X(o=-0.79,f=-0.81) USER MOD Single : A 232 ASN : amide:sc= 0.964 K(o=0.96,f=-6.5!) USER MOD Single : A 244 ASN : amide:sc= 1.82 K(o=1.8,f=-7!) USER MOD Single : A 249 GLN : amide:sc= 2.22 K(o=2.2,f=1.3) USER MOD Single : A 252 LYS NZ :NH3+ -156:sc= 1.66 (180deg=0.569) USER MOD Single : A 253 ASN A: amide:sc= 0.0234 X(o=0.023,f=0.34) USER MOD Single : A 253 ASN B: amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 255 GLN :FLIP amide:sc= 0.577 F(o=0,f=0.58) USER MOD Single : A 257 LYS NZ :NH3+ 158:sc= -0.181 (180deg=-0.693) USER MOD Single : A 259 SER OG : rot 125:sc= 0.408 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 302 DMS C1 :methyl -158:sc= -0.193 (180deg=-1) USER MOD Single : A 302 DMS C2 :methyl -129:sc= -0.148 (180deg=-0.782) USER MOD Single : A 303 DMS C1 :methyl 157:sc= -0.406 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N AHIS A 4 30.742 3.313 9.053 0.50 26.42 N ATOM 2 N BHIS A 4 30.010 3.165 7.904 0.50 26.68 N ATOM 3 CA AHIS A 4 31.452 2.021 9.059 0.50 24.75 C ATOM 4 CA BHIS A 4 30.671 1.851 8.067 0.50 26.35 C ATOM 5 C AHIS A 4 30.544 0.976 9.633 0.50 23.74 C ATOM 6 C BHIS A 4 30.037 0.920 9.091 0.50 24.89 C ATOM 7 O AHIS A 4 30.792 -0.211 9.499 0.50 23.16 O ATOM 8 O BHIS A 4 30.095 -0.270 8.839 0.50 20.82 O ATOM 9 CB AHIS A 4 32.759 2.115 9.867 0.50 27.01 C ATOM 10 CB BHIS A 4 32.203 1.931 8.259 0.50 26.79 C ATOM 11 CG AHIS A 4 33.793 1.105 9.477 0.50 26.21 C ATOM 12 CG BHIS A 4 33.013 2.042 6.961 0.50 31.67 C ATOM 13 ND1AHIS A 4 34.140 0.070 10.284 0.50 29.84 N ATOM 14 ND1BHIS A 4 34.289 1.550 6.852 0.50 27.57 N ATOM 15 CD2AHIS A 4 34.557 0.967 8.310 0.50 25.85 C ATOM 16 CD2BHIS A 4 32.709 2.621 5.711 0.50 30.24 C ATOM 17 CE1AHIS A 4 35.071 -0.689 9.675 0.50 24.80 C ATOM 18 CE1BHIS A 4 34.759 1.786 5.613 0.50 27.64 C ATOM 19 NE2AHIS A 4 35.349 -0.128 8.474 0.50 26.33 N ATOM 20 NE2BHIS A 4 33.801 2.443 4.913 0.50 33.50 N ATOM 0 HA AHIS A 4 31.692 1.780 8.151 0.50 26.35 H new ATOM 0 HA BHIS A 4 30.510 1.439 7.204 0.50 26.35 H new ATOM 0 HB2AHIS A 4 33.132 3.004 9.758 0.50 26.79 H new ATOM 0 HB2BHIS A 4 32.406 2.697 8.818 0.50 26.79 H new ATOM 0 HB3AHIS A 4 32.554 2.007 10.809 0.50 26.79 H new ATOM 0 HB3BHIS A 4 32.497 1.142 8.741 0.50 26.79 H new ATOM 0 HD2AHIS A 4 34.528 1.520 7.563 0.50 30.24 H new ATOM 0 HD2BHIS A 4 31.915 3.044 5.476 0.50 30.24 H new ATOM 0 HE1AHIS A 4 35.456 -1.463 10.019 0.50 27.64 H new ATOM 0 HE1BHIS A 4 35.597 1.541 5.292 0.50 27.64 H new ATOM 0 HE2AHIS A 4 35.930 -0.416 7.909 0.50 33.50 H new ATOM 0 HE2BHIS A 4 33.871 2.705 4.097 0.50 33.50 H new ATOM 21 N TRP A 5 29.425 1.399 10.210 1.00 23.09 N ATOM 22 CA TRP A 5 28.684 0.477 11.116 1.00 19.46 C ATOM 23 C TRP A 5 27.703 -0.340 10.347 1.00 19.33 C ATOM 24 O TRP A 5 27.165 0.077 9.310 1.00 21.13 O ATOM 25 CB TRP A 5 28.055 1.215 12.325 1.00 20.52 C ATOM 26 CG TRP A 5 26.804 1.970 11.970 1.00 21.62 C ATOM 27 CD1 TRP A 5 26.656 3.318 11.624 1.00 22.14 C ATOM 28 CD2 TRP A 5 25.453 1.414 11.962 1.00 18.25 C ATOM 29 NE1 TRP A 5 25.350 3.601 11.380 1.00 22.28 N ATOM 30 CE2 TRP A 5 24.558 2.490 11.569 1.00 20.17 C ATOM 31 CE3 TRP A 5 24.924 0.150 12.233 1.00 19.04 C ATOM 32 CZ2 TRP A 5 23.190 2.294 11.433 1.00 19.84 C ATOM 33 CZ3 TRP A 5 23.537 -0.037 12.066 1.00 17.32 C ATOM 34 CH2 TRP A 5 22.701 1.027 11.725 1.00 18.94 C ATOM 0 H ATRP A 5 29.077 2.179 10.107 0.50 23.09 H new ATOM 0 H BTRP A 5 29.427 2.224 10.453 0.50 23.09 H new ATOM 0 HA TRP A 5 29.324 -0.140 11.504 1.00 19.46 H new ATOM 0 HB2 TRP A 5 27.851 0.570 13.020 1.00 20.52 H new ATOM 0 HB3 TRP A 5 28.705 1.833 12.694 1.00 20.52 H new ATOM 0 HD1 TRP A 5 27.352 3.932 11.569 1.00 22.14 H new ATOM 0 HE1 TRP A 5 25.056 4.373 11.139 1.00 22.28 H new ATOM 0 HE3 TRP A 5 25.471 -0.547 12.515 1.00 19.04 H new ATOM 0 HZ2 TRP A 5 22.626 2.981 11.159 1.00 19.84 H new ATOM 0 HZ3 TRP A 5 23.173 -0.884 12.185 1.00 17.32 H new ATOM 0 HH2 TRP A 5 21.783 0.883 11.692 1.00 18.94 H new ATOM 35 N GLY A 6 27.477 -1.566 10.834 1.00 19.23 N ATOM 36 CA GLY A 6 26.432 -2.429 10.236 1.00 18.18 C ATOM 37 C GLY A 6 26.085 -3.557 11.202 1.00 17.58 C ATOM 38 O GLY A 6 26.123 -3.422 12.417 1.00 16.40 O ATOM 0 H GLY A 6 27.903 -1.916 11.494 1.00 19.23 H new ATOM 0 HA2 GLY A 6 25.640 -1.904 10.039 1.00 18.18 H new ATOM 0 HA3 GLY A 6 26.745 -2.796 9.395 1.00 18.18 H new ATOM 39 N TYR A 7 25.820 -4.731 10.640 1.00 18.62 N ATOM 40 CA TYR A 7 25.419 -5.852 11.489 1.00 20.48 C ATOM 41 C TYR A 7 26.305 -7.123 11.387 1.00 25.75 C ATOM 42 O TYR A 7 25.956 -8.169 11.974 1.00 27.30 O ATOM 43 CB TYR A 7 23.958 -6.230 11.251 1.00 17.58 C ATOM 44 CG TYR A 7 22.990 -5.174 11.767 1.00 14.37 C ATOM 45 CD1 TYR A 7 22.641 -5.186 13.128 1.00 14.84 C ATOM 46 CD2 TYR A 7 22.493 -4.202 10.912 1.00 13.79 C ATOM 47 CE1 TYR A 7 21.745 -4.193 13.633 1.00 13.81 C ATOM 48 CE2 TYR A 7 21.641 -3.188 11.386 1.00 13.91 C ATOM 49 CZ TYR A 7 21.283 -3.227 12.750 1.00 14.19 C ATOM 50 OH TYR A 7 20.338 -2.229 13.109 1.00 15.40 O ATOM 0 H TYR A 7 25.863 -4.899 9.798 1.00 18.62 H new ATOM 0 HA TYR A 7 25.544 -5.516 12.390 1.00 20.48 H new ATOM 0 HB2 TYR A 7 23.812 -6.362 10.301 1.00 17.58 H new ATOM 0 HB3 TYR A 7 23.771 -7.076 11.687 1.00 17.58 H new ATOM 0 HD1 TYR A 7 22.990 -5.835 13.696 1.00 14.84 H new ATOM 0 HD2 TYR A 7 22.726 -4.221 10.012 1.00 13.79 H new ATOM 0 HE1 TYR A 7 21.480 -4.194 14.525 1.00 13.81 H new ATOM 0 HE2 TYR A 7 21.326 -2.518 10.823 1.00 13.91 H new ATOM 0 HH TYR A 7 20.089 -2.351 13.902 1.00 15.40 H new ATOM 51 N GLY A 8 27.419 -7.030 10.658 1.00 25.44 N ATOM 52 CA GLY A 8 28.352 -8.207 10.553 1.00 23.00 C ATOM 53 C GLY A 8 29.407 -8.379 11.654 1.00 24.60 C ATOM 54 O GLY A 8 29.493 -7.608 12.658 1.00 24.11 O ATOM 0 H GLY A 8 27.664 -6.329 10.224 1.00 25.44 H new ATOM 0 HA2 GLY A 8 27.814 -9.014 10.526 1.00 23.00 H new ATOM 0 HA3 GLY A 8 28.815 -8.147 9.703 1.00 23.00 H new ATOM 55 N LYS A 9 30.282 -9.382 11.421 1.00 25.18 N ATOM 56 CA LYS A 9 31.294 -9.828 12.383 1.00 26.46 C ATOM 57 C LYS A 9 32.258 -8.675 12.707 1.00 23.46 C ATOM 58 O LYS A 9 32.683 -8.522 13.868 1.00 27.45 O ATOM 59 CB LYS A 9 32.109 -11.011 11.815 1.00 30.27 C ATOM 60 CG LYS A 9 33.047 -11.621 12.846 1.00 40.23 C ATOM 61 CD LYS A 9 34.231 -12.392 12.240 1.00 47.07 C ATOM 62 CE LYS A 9 35.157 -12.902 13.366 1.00 52.56 C ATOM 63 NZ LYS A 9 36.420 -13.558 12.898 1.00 54.81 N ATOM 0 H LYS A 9 30.296 -9.824 10.683 1.00 25.18 H new ATOM 0 HA LYS A 9 30.834 -10.114 13.188 1.00 26.46 H new ATOM 0 HB2 LYS A 9 31.500 -11.694 11.492 1.00 30.27 H new ATOM 0 HB3 LYS A 9 32.625 -10.707 11.052 1.00 30.27 H new ATOM 0 HG2 LYS A 9 33.391 -10.914 13.414 1.00 40.23 H new ATOM 0 HG3 LYS A 9 32.540 -12.221 13.415 1.00 40.23 H new ATOM 0 HD2 LYS A 9 33.906 -13.140 11.714 1.00 47.07 H new ATOM 0 HD3 LYS A 9 34.728 -11.817 11.637 1.00 47.07 H new ATOM 0 HE2 LYS A 9 35.390 -12.154 13.939 1.00 52.56 H new ATOM 0 HE3 LYS A 9 34.663 -13.534 13.911 1.00 52.56 H new ATOM 0 HZ1 LYS A 9 36.896 -13.823 13.602 1.00 54.81 H new ATOM 0 HZ2 LYS A 9 36.219 -14.264 12.394 1.00 54.81 H new ATOM 0 HZ3 LYS A 9 36.896 -12.978 12.420 1.00 54.81 H new ATOM 64 N HIS A 10 32.536 -7.888 11.680 1.00 25.92 N ATOM 65 CA HIS A 10 33.552 -6.860 11.811 1.00 27.00 C ATOM 66 C HIS A 10 33.067 -5.471 12.052 1.00 28.44 C ATOM 67 O HIS A 10 33.882 -4.634 12.431 1.00 26.01 O ATOM 68 CB HIS A 10 34.515 -6.903 10.651 1.00 24.89 C ATOM 69 CG HIS A 10 35.151 -8.268 10.476 1.00 25.10 C ATOM 70 ND1 HIS A 10 36.162 -8.703 11.281 1.00 30.00 N ATOM 71 CD2 HIS A 10 34.883 -9.278 9.572 1.00 28.63 C ATOM 72 CE1 HIS A 10 36.514 -9.949 10.900 1.00 29.34 C ATOM 73 NE2 HIS A 10 35.710 -10.308 9.855 1.00 25.81 N ATOM 0 H HIS A 10 32.155 -7.931 10.910 1.00 25.92 H new ATOM 0 HA HIS A 10 34.009 -7.090 12.635 1.00 27.00 H new ATOM 0 HB2 HIS A 10 34.047 -6.661 9.837 1.00 24.89 H new ATOM 0 HB3 HIS A 10 35.210 -6.240 10.787 1.00 24.89 H new ATOM 0 HD2 HIS A 10 34.249 -9.253 8.892 1.00 28.63 H new ATOM 0 HE1 HIS A 10 37.184 -10.470 11.281 1.00 29.34 H new ATOM 0 HE2 HIS A 10 35.728 -11.064 9.446 1.00 25.81 H new ATOM 74 N ASN A 11 31.756 -5.217 11.900 1.00 24.78 N ATOM 75 CA ASN A 11 31.216 -3.860 12.114 1.00 24.58 C ATOM 76 C ASN A 11 29.868 -3.856 12.864 1.00 23.93 C ATOM 77 O ASN A 11 29.137 -2.839 12.826 1.00 22.78 O ATOM 78 CB ASN A 11 30.995 -3.187 10.775 1.00 23.46 C ATOM 79 CG ASN A 11 29.935 -3.879 9.938 1.00 25.45 C ATOM 80 OD1 ASN A 11 29.366 -4.896 10.357 1.00 26.23 O ATOM 81 ND2 ASN A 11 29.680 -3.363 8.750 1.00 25.40 N ATOM 0 H ASN A 11 31.171 -5.806 11.677 1.00 24.78 H new ATOM 0 HA ASN A 11 31.868 -3.389 12.655 1.00 24.58 H new ATOM 0 HB2 ASN A 11 30.735 -2.264 10.920 1.00 23.46 H new ATOM 0 HB3 ASN A 11 31.831 -3.172 10.283 1.00 23.46 H new ATOM 0 HD21 ASN A 11 29.100 -3.735 8.235 1.00 25.40 H new ATOM 0 HD22 ASN A 11 30.094 -2.655 8.491 1.00 25.40 H new ATOM 82 N GLY A 12 29.551 -4.993 13.486 1.00 24.19 N ATOM 83 CA GLY A 12 28.206 -5.247 14.051 1.00 21.29 C ATOM 84 C GLY A 12 28.157 -4.671 15.439 1.00 20.63 C ATOM 85 O GLY A 12 29.085 -3.980 15.902 1.00 18.27 O ATOM 0 H GLY A 12 30.104 -5.643 13.596 1.00 24.19 H new ATOM 0 HA2 GLY A 12 27.524 -4.842 13.493 1.00 21.29 H new ATOM 0 HA3 GLY A 12 28.024 -6.200 14.074 1.00 21.29 H new ATOM 86 N PRO A 13 27.073 -4.978 16.196 1.00 20.10 N ATOM 87 CA PRO A 13 26.848 -4.426 17.536 1.00 20.55 C ATOM 88 C PRO A 13 28.013 -4.448 18.534 1.00 21.31 C ATOM 89 O PRO A 13 28.163 -3.495 19.351 1.00 19.78 O ATOM 90 CB PRO A 13 25.715 -5.326 18.097 1.00 21.25 C ATOM 91 CG PRO A 13 24.962 -5.698 16.866 1.00 19.24 C ATOM 92 CD PRO A 13 25.936 -5.792 15.725 1.00 20.01 C ATOM 0 HA PRO A 13 26.669 -3.477 17.440 1.00 20.55 H new ATOM 0 HB2 PRO A 13 26.066 -6.105 18.555 1.00 21.25 H new ATOM 0 HB3 PRO A 13 25.157 -4.851 18.732 1.00 21.25 H new ATOM 0 HG2 PRO A 13 24.507 -6.545 16.992 1.00 19.24 H new ATOM 0 HG3 PRO A 13 24.280 -5.035 16.674 1.00 19.24 H new ATOM 0 HD2 PRO A 13 26.198 -6.709 15.551 1.00 20.01 H new ATOM 0 HD3 PRO A 13 25.560 -5.443 14.902 1.00 20.01 H new ATOM 93 N AGLU A 14 28.824 -5.497 18.434 0.50 19.53 N ATOM 94 N BGLU A 14 28.855 -5.492 18.536 0.50 20.22 N ATOM 95 CA AGLU A 14 29.971 -5.653 19.295 0.50 19.74 C ATOM 96 CA BGLU A 14 29.975 -5.470 19.502 0.50 20.98 C ATOM 97 C AGLU A 14 31.056 -4.580 19.061 0.50 18.35 C ATOM 98 C BGLU A 14 31.092 -4.495 19.095 0.50 19.19 C ATOM 99 O AGLU A 14 31.876 -4.350 19.956 0.50 19.61 O ATOM 100 O BGLU A 14 32.000 -4.260 19.884 0.50 21.66 O ATOM 101 CB AGLU A 14 30.547 -7.045 19.083 0.50 20.92 C ATOM 102 CB BGLU A 14 30.575 -6.855 19.777 0.50 22.98 C ATOM 103 CG AGLU A 14 31.118 -7.217 17.702 0.50 20.02 C ATOM 104 CG BGLU A 14 29.568 -7.998 19.804 0.50 24.59 C ATOM 105 CD AGLU A 14 30.265 -7.970 16.711 0.50 20.95 C ATOM 106 CD BGLU A 14 28.591 -7.858 20.947 0.50 28.34 C ATOM 107 OE1AGLU A 14 29.035 -7.629 16.603 0.50 15.52 O ATOM 108 OE1BGLU A 14 29.050 -7.673 22.088 0.50 29.90 O ATOM 109 OE2AGLU A 14 30.914 -8.859 16.022 0.50 17.53 O ATOM 110 OE2BGLU A 14 27.358 -7.935 20.706 0.50 31.68 O ATOM 0 H AGLU A 14 28.719 -6.133 17.864 0.50 20.22 H new ATOM 0 H BGLU A 14 28.807 -6.181 18.024 0.50 20.22 H new ATOM 0 HA AGLU A 14 29.675 -5.538 20.212 0.50 20.98 H new ATOM 0 HA BGLU A 14 29.573 -5.154 20.326 0.50 20.98 H new ATOM 0 HB2AGLU A 14 31.240 -7.211 19.741 0.50 22.98 H new ATOM 0 HB2BGLU A 14 31.241 -7.045 19.098 0.50 22.98 H new ATOM 0 HB3AGLU A 14 29.853 -7.707 19.229 0.50 22.98 H new ATOM 0 HB3BGLU A 14 31.038 -6.829 20.629 0.50 22.98 H new ATOM 0 HG2AGLU A 14 31.302 -6.337 17.338 0.50 24.59 H new ATOM 0 HG2BGLU A 14 29.083 -8.021 18.965 0.50 24.59 H new ATOM 0 HG3AGLU A 14 31.969 -7.675 17.780 0.50 24.59 H new ATOM 0 HG3BGLU A 14 30.039 -8.842 19.883 0.50 24.59 H new ATOM 111 N HIS A 15 31.005 -3.923 17.897 1.00 18.57 N ATOM 112 CA HIS A 15 31.988 -2.946 17.449 1.00 17.42 C ATOM 113 C HIS A 15 31.540 -1.514 17.628 1.00 20.28 C ATOM 114 O HIS A 15 32.373 -0.578 17.577 1.00 18.05 O ATOM 115 CB HIS A 15 32.268 -3.138 15.978 1.00 18.36 C ATOM 116 CG HIS A 15 33.053 -4.399 15.714 1.00 22.45 C ATOM 117 ND1 HIS A 15 34.398 -4.425 15.779 1.00 24.84 N ATOM 118 CD2 HIS A 15 32.645 -5.691 15.387 1.00 23.97 C ATOM 119 CE1 HIS A 15 34.846 -5.684 15.530 1.00 25.85 C ATOM 120 NE2 HIS A 15 33.791 -6.468 15.310 1.00 23.24 N ATOM 0 H AHIS A 15 30.370 -4.043 17.329 0.50 18.57 H new ATOM 0 H BHIS A 15 30.382 -4.089 17.328 0.50 18.57 H new ATOM 0 HA HIS A 15 32.774 -3.096 17.997 1.00 17.42 H new ATOM 0 HB2 HIS A 15 31.430 -3.172 15.491 1.00 18.36 H new ATOM 0 HB3 HIS A 15 32.761 -2.374 15.641 1.00 18.36 H new ATOM 0 HD2 HIS A 15 31.771 -5.977 15.247 1.00 23.97 H new ATOM 0 HE1 HIS A 15 35.736 -5.952 15.516 1.00 25.85 H new ATOM 0 HE2 HIS A 15 33.817 -7.312 15.148 1.00 23.24 H new ATOM 121 N TRP A 16 30.242 -1.313 17.832 1.00 18.32 N ATOM 122 CA TRP A 16 29.712 0.041 17.808 1.00 17.90 C ATOM 123 C TRP A 16 30.266 1.005 18.788 1.00 15.84 C ATOM 124 O TRP A 16 30.301 2.190 18.425 1.00 19.48 O ATOM 125 CB TRP A 16 28.148 0.010 17.930 1.00 15.24 C ATOM 126 CG TRP A 16 27.497 -0.668 16.761 1.00 16.25 C ATOM 127 CD1 TRP A 16 28.038 -1.085 15.533 1.00 15.66 C ATOM 128 CD2 TRP A 16 26.081 -1.029 16.707 1.00 15.66 C ATOM 129 NE1 TRP A 16 27.083 -1.681 14.756 1.00 16.41 N ATOM 130 CE2 TRP A 16 25.868 -1.651 15.409 1.00 15.50 C ATOM 131 CE3 TRP A 16 25.027 -0.873 17.579 1.00 16.58 C ATOM 132 CZ2 TRP A 16 24.630 -2.131 15.023 1.00 15.54 C ATOM 133 CZ3 TRP A 16 23.782 -1.376 17.200 1.00 15.91 C ATOM 134 CH2 TRP A 16 23.581 -1.942 15.943 1.00 16.54 C ATOM 0 H TRP A 16 29.665 -1.932 17.983 1.00 18.32 H new ATOM 0 HA TRP A 16 30.006 0.383 16.949 1.00 17.90 H new ATOM 0 HB2 TRP A 16 27.899 -0.449 18.747 1.00 15.24 H new ATOM 0 HB3 TRP A 16 27.814 0.918 18.002 1.00 15.24 H new ATOM 0 HD1 TRP A 16 28.926 -0.971 15.282 1.00 15.66 H new ATOM 0 HE1 TRP A 16 27.219 -2.023 13.979 1.00 16.41 H new ATOM 0 HE3 TRP A 16 25.142 -0.445 18.397 1.00 16.58 H new ATOM 0 HZ2 TRP A 16 24.498 -2.553 14.205 1.00 15.54 H new ATOM 0 HZ3 TRP A 16 23.072 -1.333 17.799 1.00 15.91 H new ATOM 0 HH2 TRP A 16 22.722 -2.205 15.703 1.00 16.54 H new ATOM 135 N HIS A 17 30.712 0.546 19.949 1.00 15.74 N ATOM 136 CA HIS A 17 31.202 1.389 21.028 1.00 16.86 C ATOM 137 C HIS A 17 32.402 2.208 20.615 1.00 17.06 C ATOM 138 O HIS A 17 32.628 3.265 21.235 1.00 17.58 O ATOM 139 CB HIS A 17 31.481 0.643 22.332 1.00 16.60 C ATOM 140 CG HIS A 17 32.678 -0.263 22.246 1.00 19.70 C ATOM 141 ND1 HIS A 17 33.884 0.058 22.789 1.00 23.22 N ATOM 142 CD2 HIS A 17 32.855 -1.417 21.534 1.00 19.57 C ATOM 143 CE1 HIS A 17 34.766 -0.895 22.457 1.00 20.14 C ATOM 144 NE2 HIS A 17 34.140 -1.797 21.697 1.00 23.39 N ATOM 0 H HIS A 17 30.738 -0.293 20.136 1.00 15.74 H new ATOM 0 HA HIS A 17 30.466 1.993 21.214 1.00 16.86 H new ATOM 0 HB2 HIS A 17 31.620 1.287 23.044 1.00 16.60 H new ATOM 0 HB3 HIS A 17 30.701 0.118 22.572 1.00 16.60 H new ATOM 0 HD2 HIS A 17 32.209 -1.858 21.031 1.00 19.57 H new ATOM 0 HE1 HIS A 17 35.660 -0.923 22.712 1.00 20.14 H new ATOM 0 HE2 HIS A 17 34.498 -2.505 21.365 1.00 23.39 H new ATOM 145 N ALYS A 18 33.160 1.737 19.595 0.50 16.48 N ATOM 146 N BLYS A 18 33.176 1.755 19.643 0.50 17.45 N ATOM 147 CA ALYS A 18 34.413 2.404 19.119 0.50 16.77 C ATOM 148 CA BLYS A 18 34.362 2.524 19.355 0.50 17.74 C ATOM 149 C ALYS A 18 34.164 3.719 18.363 0.50 18.37 C ATOM 150 C BLYS A 18 33.952 3.869 18.708 0.50 19.29 C ATOM 151 O ALYS A 18 34.993 4.603 18.333 0.50 20.72 O ATOM 152 O BLYS A 18 34.429 4.936 19.173 0.50 17.78 O ATOM 153 CB ALYS A 18 35.196 1.486 18.178 0.50 15.56 C ATOM 154 CB BLYS A 18 35.321 1.658 18.561 0.50 18.35 C ATOM 155 CG ALYS A 18 36.058 0.424 18.846 0.50 15.89 C ATOM 156 CG BLYS A 18 35.433 0.288 19.246 0.50 20.33 C ATOM 157 CD ALYS A 18 36.634 -0.494 17.803 0.50 14.07 C ATOM 158 CD BLYS A 18 36.625 -0.518 18.786 0.50 19.38 C ATOM 159 CE ALYS A 18 35.777 -1.727 17.513 0.50 13.99 C ATOM 160 CE BLYS A 18 36.600 -0.704 17.280 0.50 21.69 C ATOM 161 NZ ALYS A 18 36.228 -2.343 16.206 0.50 11.27 N ATOM 162 NZ BLYS A 18 35.981 -1.979 16.809 0.50 23.36 N ATOM 0 H ALYS A 18 32.965 1.022 19.158 0.50 17.45 H new ATOM 0 H BLYS A 18 33.044 1.051 19.167 0.50 17.45 H new ATOM 0 HA ALYS A 18 34.912 2.599 19.928 0.50 17.74 H new ATOM 0 HA BLYS A 18 34.851 2.777 20.153 0.50 17.74 H new ATOM 0 HB2ALYS A 18 34.566 1.042 17.589 0.50 18.35 H new ATOM 0 HB2BLYS A 18 35.004 1.553 17.650 0.50 18.35 H new ATOM 0 HB3ALYS A 18 35.767 2.036 17.619 0.50 18.35 H new ATOM 0 HB3BLYS A 18 36.193 2.081 18.511 0.50 18.35 H new ATOM 0 HG2ALYS A 18 36.773 0.845 19.349 0.50 20.33 H new ATOM 0 HG2BLYS A 18 35.490 0.418 20.206 0.50 20.33 H new ATOM 0 HG3ALYS A 18 35.527 -0.084 19.479 0.50 20.33 H new ATOM 0 HG3BLYS A 18 34.623 -0.218 19.075 0.50 20.33 H new ATOM 0 HD2ALYS A 18 36.756 0.004 16.980 0.50 19.38 H new ATOM 0 HD2BLYS A 18 37.444 -0.070 19.047 0.50 19.38 H new ATOM 0 HD3ALYS A 18 37.513 -0.784 18.092 0.50 19.38 H new ATOM 0 HD3BLYS A 18 36.624 -1.384 19.223 0.50 19.38 H new ATOM 0 HE2ALYS A 18 35.861 -2.371 18.234 0.50 21.69 H new ATOM 0 HE2BLYS A 18 36.118 0.039 16.884 0.50 21.69 H new ATOM 0 HE3ALYS A 18 34.840 -1.480 17.462 0.50 21.69 H new ATOM 0 HE3BLYS A 18 37.510 -0.661 16.948 0.50 21.69 H new ATOM 0 HZ1ALYS A 18 35.679 -3.008 15.986 0.50 23.36 H new ATOM 0 HZ1BLYS A 18 35.860 -1.943 15.928 0.50 23.36 H new ATOM 0 HZ2ALYS A 18 36.215 -1.725 15.566 0.50 23.36 H new ATOM 0 HZ2BLYS A 18 36.518 -2.661 17.007 0.50 23.36 H new ATOM 0 HZ3ALYS A 18 37.055 -2.659 16.296 0.50 23.36 H new ATOM 0 HZ3BLYS A 18 35.196 -2.094 17.211 0.50 23.36 H new ATOM 163 N ASP A 19 33.008 3.842 17.751 1.00 19.64 N ATOM 164 CA ASP A 19 32.587 5.094 17.107 1.00 21.51 C ATOM 165 C ASP A 19 31.562 5.847 17.970 1.00 24.13 C ATOM 166 O ASP A 19 31.480 7.076 17.902 1.00 23.35 O ATOM 167 CB ASP A 19 32.053 4.840 15.704 1.00 26.23 C ATOM 168 CG ASP A 19 33.105 4.950 14.621 1.00 30.09 C ATOM 169 OD1 ASP A 19 34.176 5.489 14.868 1.00 35.67 O ATOM 170 OD2 ASP A 19 32.847 4.501 13.491 1.00 40.74 O ATOM 0 H AASP A 19 32.433 3.206 17.690 0.50 19.64 H new ATOM 0 H BASP A 19 32.612 3.132 17.470 0.50 19.64 H new ATOM 0 HA ASP A 19 33.370 5.660 17.023 1.00 21.51 H new ATOM 0 HB2 ASP A 19 31.660 3.954 15.672 1.00 26.23 H new ATOM 0 HB3 ASP A 19 31.342 5.473 15.518 1.00 26.23 H new ATOM 171 N PHE A 20 30.806 5.105 18.808 1.00 19.63 N ATOM 172 CA PHE A 20 29.678 5.612 19.617 1.00 19.35 C ATOM 173 C PHE A 20 29.818 5.071 20.977 1.00 20.21 C ATOM 174 O PHE A 20 29.212 4.061 21.303 1.00 16.65 O ATOM 175 CB PHE A 20 28.324 5.189 18.957 1.00 20.74 C ATOM 176 CG PHE A 20 28.254 5.574 17.518 1.00 19.16 C ATOM 177 CD1 PHE A 20 27.859 6.858 17.174 1.00 20.43 C ATOM 178 CD2 PHE A 20 28.638 4.672 16.493 1.00 20.14 C ATOM 179 CE1 PHE A 20 27.817 7.208 15.856 1.00 19.37 C ATOM 180 CE2 PHE A 20 28.625 5.027 15.180 1.00 20.36 C ATOM 181 CZ PHE A 20 28.207 6.320 14.847 1.00 22.12 C ATOM 0 H PHE A 20 30.944 4.264 18.922 1.00 19.63 H new ATOM 0 HA PHE A 20 29.685 6.581 19.661 1.00 19.35 H new ATOM 0 HB2 PHE A 20 28.212 4.229 19.039 1.00 20.74 H new ATOM 0 HB3 PHE A 20 27.589 5.602 19.437 1.00 20.74 H new ATOM 0 HD1 PHE A 20 27.626 7.472 17.833 1.00 20.43 H new ATOM 0 HD2 PHE A 20 28.907 3.813 16.725 1.00 20.14 H new ATOM 0 HE1 PHE A 20 27.522 8.058 15.622 1.00 19.37 H new ATOM 0 HE2 PHE A 20 28.887 4.426 14.521 1.00 20.36 H new ATOM 0 HZ PHE A 20 28.188 6.589 13.957 1.00 22.12 H new ATOM 182 N PRO A 21 30.695 5.692 21.809 1.00 19.85 N ATOM 183 CA PRO A 21 30.955 5.177 23.136 1.00 19.34 C ATOM 184 C PRO A 21 29.738 5.049 24.097 1.00 19.40 C ATOM 185 O PRO A 21 29.791 4.262 25.062 1.00 19.60 O ATOM 186 CB PRO A 21 32.158 6.042 23.666 1.00 22.17 C ATOM 187 CG PRO A 21 32.184 7.200 22.738 1.00 24.37 C ATOM 188 CD PRO A 21 31.617 6.775 21.419 1.00 21.08 C ATOM 0 HA PRO A 21 31.181 4.235 23.093 1.00 19.34 H new ATOM 0 HB2 PRO A 21 32.020 6.323 24.584 1.00 22.17 H new ATOM 0 HB3 PRO A 21 32.992 5.547 23.643 1.00 22.17 H new ATOM 0 HG2 PRO A 21 31.668 7.935 23.104 1.00 24.37 H new ATOM 0 HG3 PRO A 21 33.093 7.520 22.625 1.00 24.37 H new ATOM 0 HD2 PRO A 21 31.154 7.501 20.973 1.00 21.08 H new ATOM 0 HD3 PRO A 21 32.306 6.463 20.812 1.00 21.08 H new ATOM 189 N AILE A 22 28.678 5.776 23.736 0.50 18.77 N ATOM 190 N BILE A 22 28.624 5.769 23.865 0.50 18.97 N ATOM 191 CA AILE A 22 27.415 5.756 24.412 0.50 17.59 C ATOM 192 CA BILE A 22 27.415 5.629 24.715 0.50 18.52 C ATOM 193 C AILE A 22 26.832 4.346 24.367 0.50 17.54 C ATOM 194 C BILE A 22 26.803 4.260 24.432 0.50 17.89 C ATOM 195 O AILE A 22 26.003 4.003 25.197 0.50 18.29 O ATOM 196 O BILE A 22 25.861 3.870 25.119 0.50 19.00 O ATOM 197 CB AILE A 22 26.452 6.833 23.839 0.50 14.97 C ATOM 198 CB BILE A 22 26.345 6.749 24.487 0.50 16.66 C ATOM 199 CG1AILE A 22 25.427 7.225 24.899 0.50 12.77 C ATOM 200 CG1BILE A 22 25.308 6.799 25.630 0.50 15.77 C ATOM 201 CG2AILE A 22 25.884 6.425 22.478 0.50 13.95 C ATOM 202 CG2BILE A 22 25.675 6.591 23.142 0.50 16.36 C ATOM 203 CD1AILE A 22 24.425 8.253 24.491 0.50 13.45 C ATOM 204 CD1BILE A 22 25.604 7.771 26.718 0.50 14.91 C ATOM 0 H AILE A 22 28.692 6.310 23.062 0.50 18.97 H new ATOM 0 H BILE A 22 28.545 6.340 23.227 0.50 18.97 H new ATOM 0 HA AILE A 22 27.544 5.988 25.345 0.50 18.52 H new ATOM 0 HA BILE A 22 27.692 5.719 25.640 0.50 18.52 H new ATOM 0 HB AILE A 22 26.942 7.646 23.638 0.50 16.66 H new ATOM 0 HB BILE A 22 26.811 7.600 24.492 0.50 16.66 H new ATOM 0 HG12AILE A 22 24.951 6.426 25.174 0.50 15.77 H new ATOM 0 HG12BILE A 22 24.442 7.015 25.251 0.50 15.77 H new ATOM 0 HG13AILE A 22 25.903 7.554 25.678 0.50 15.77 H new ATOM 0 HG13BILE A 22 25.235 5.913 26.019 0.50 15.77 H new ATOM 0 HG21AILE A 22 25.290 7.120 22.154 0.50 16.36 H new ATOM 0 HG21BILE A 22 25.018 7.294 23.023 0.50 16.36 H new ATOM 0 HG22AILE A 22 26.611 6.302 21.848 0.50 16.36 H new ATOM 0 HG22BILE A 22 26.341 6.650 22.439 0.50 16.36 H new ATOM 0 HG23AILE A 22 25.391 5.595 22.569 0.50 16.36 H new ATOM 0 HG23BILE A 22 25.235 5.727 23.099 0.50 16.36 H new ATOM 0 HD11AILE A 22 23.823 8.430 25.231 0.50 14.91 H new ATOM 0 HD11BILE A 22 24.902 7.732 27.387 0.50 14.91 H new ATOM 0 HD12AILE A 22 24.883 9.072 24.244 0.50 14.91 H new ATOM 0 HD12BILE A 22 26.454 7.548 27.129 0.50 14.91 H new ATOM 0 HD13AILE A 22 23.916 7.926 23.733 0.50 14.91 H new ATOM 0 HD13BILE A 22 25.648 8.667 26.349 0.50 14.91 H new ATOM 205 N ALA A 23 27.338 3.534 23.433 1.00 16.20 N ATOM 206 CA ALA A 23 26.935 2.070 23.318 1.00 18.54 C ATOM 207 C ALA A 23 27.012 1.359 24.686 1.00 19.31 C ATOM 208 O ALA A 23 26.310 0.350 24.930 1.00 16.99 O ATOM 209 CB ALA A 23 27.708 1.259 22.253 1.00 18.18 C ATOM 0 H AALA A 23 27.915 3.785 22.847 0.50 16.20 H new ATOM 0 H BALA A 23 27.894 3.821 22.844 0.50 16.20 H new ATOM 0 HA ALA A 23 26.016 2.097 23.010 1.00 18.54 H new ATOM 0 HB1 ALA A 23 27.389 0.343 22.249 1.00 18.18 H new ATOM 0 HB2 ALA A 23 27.566 1.655 21.379 1.00 18.18 H new ATOM 0 HB3 ALA A 23 28.655 1.270 22.462 1.00 18.18 H new ATOM 210 N LYS A 24 27.862 1.842 25.612 1.00 20.03 N ATOM 211 CA LYS A 24 28.089 1.176 26.890 1.00 20.65 C ATOM 212 C LYS A 24 27.492 2.073 27.972 1.00 23.23 C ATOM 213 O LYS A 24 27.882 1.982 29.145 1.00 23.34 O ATOM 214 CB LYS A 24 29.612 1.042 27.149 1.00 23.23 C ATOM 215 CG LYS A 24 30.266 -0.001 26.263 1.00 22.60 C ATOM 216 CD LYS A 24 31.732 -0.170 26.660 1.00 24.38 C ATOM 217 CE LYS A 24 32.460 -1.015 25.635 1.00 25.89 C ATOM 218 NZ LYS A 24 32.151 -2.426 25.993 1.00 32.33 N ATOM 0 H LYS A 24 28.318 2.564 25.508 1.00 20.03 H new ATOM 0 HA LYS A 24 27.687 0.293 26.890 1.00 20.65 H new ATOM 0 HB2 LYS A 24 30.038 1.901 27.001 1.00 23.23 H new ATOM 0 HB3 LYS A 24 29.759 0.809 28.079 1.00 23.23 H new ATOM 0 HG2 LYS A 24 29.800 -0.847 26.347 1.00 22.60 H new ATOM 0 HG3 LYS A 24 30.203 0.267 25.333 1.00 22.60 H new ATOM 0 HD2 LYS A 24 32.156 0.699 26.732 1.00 24.38 H new ATOM 0 HD3 LYS A 24 31.791 -0.588 27.533 1.00 24.38 H new ATOM 0 HE2 LYS A 24 32.160 -0.809 24.736 1.00 25.89 H new ATOM 0 HE3 LYS A 24 33.415 -0.849 25.660 1.00 25.89 H new ATOM 0 HZ1 LYS A 24 32.556 -2.973 25.420 1.00 32.33 H new ATOM 0 HZ2 LYS A 24 32.441 -2.594 26.818 1.00 32.33 H new ATOM 0 HZ3 LYS A 24 31.271 -2.556 25.956 1.00 32.33 H new ATOM 219 N GLY A 25 26.533 2.919 27.566 1.00 20.39 N ATOM 220 CA GLY A 25 25.847 3.820 28.517 1.00 19.80 C ATOM 221 C GLY A 25 24.899 3.217 29.508 1.00 19.62 C ATOM 222 O GLY A 25 24.734 1.982 29.646 1.00 21.08 O ATOM 0 H GLY A 25 26.265 2.988 26.752 1.00 20.39 H new ATOM 0 HA2 GLY A 25 26.528 4.300 29.013 1.00 19.80 H new ATOM 0 HA3 GLY A 25 25.356 4.478 28.000 1.00 19.80 H new ATOM 223 N GLU A 26 24.242 4.133 30.221 1.00 19.15 N ATOM 224 CA GLU A 26 23.439 3.777 31.323 1.00 20.89 C ATOM 225 C GLU A 26 21.985 3.490 30.959 1.00 15.54 C ATOM 226 O GLU A 26 21.247 2.906 31.733 1.00 16.50 O ATOM 227 CB GLU A 26 23.467 4.944 32.380 1.00 25.11 C ATOM 228 CG GLU A 26 24.744 5.041 33.254 1.00 34.98 C ATOM 229 CD GLU A 26 25.454 3.689 33.598 1.00 38.77 C ATOM 230 OE1 GLU A 26 24.944 2.863 34.428 1.00 43.63 O ATOM 231 OE2 GLU A 26 26.571 3.457 33.038 1.00 41.73 O ATOM 0 H GLU A 26 24.266 4.977 30.057 1.00 19.15 H new ATOM 0 HA GLU A 26 23.811 2.955 31.679 1.00 20.89 H new ATOM 0 HB2 GLU A 26 23.354 5.785 31.910 1.00 25.11 H new ATOM 0 HB3 GLU A 26 22.702 4.843 32.967 1.00 25.11 H new ATOM 0 HG2 GLU A 26 25.382 5.612 32.799 1.00 34.98 H new ATOM 0 HG3 GLU A 26 24.511 5.483 34.086 1.00 34.98 H new ATOM 232 N ARG A 27 21.567 3.887 29.761 1.00 15.03 N ATOM 233 CA ARG A 27 20.189 3.599 29.376 1.00 13.94 C ATOM 234 C ARG A 27 20.122 3.092 27.911 1.00 13.20 C ATOM 235 O ARG A 27 19.455 3.676 27.035 1.00 13.97 O ATOM 236 CB ARG A 27 19.282 4.824 29.630 1.00 15.32 C ATOM 237 CG ARG A 27 19.765 6.132 28.978 1.00 22.90 C ATOM 238 CD ARG A 27 18.857 7.417 29.164 1.00 28.04 C ATOM 239 NE ARG A 27 17.601 7.249 28.435 1.00 26.77 N ATOM 240 CZ ARG A 27 16.737 8.226 28.179 1.00 24.78 C ATOM 241 NH1 ARG A 27 16.982 9.460 28.595 1.00 16.38 N ATOM 242 NH2 ARG A 27 15.624 7.965 27.507 1.00 20.05 N ATOM 0 H ARG A 27 22.041 4.306 29.179 1.00 15.03 H new ATOM 0 HA ARG A 27 19.849 2.882 29.934 1.00 13.94 H new ATOM 0 HB2 ARG A 27 18.391 4.624 29.303 1.00 15.32 H new ATOM 0 HB3 ARG A 27 19.208 4.963 30.587 1.00 15.32 H new ATOM 0 HG2 ARG A 27 20.646 6.334 29.329 1.00 22.90 H new ATOM 0 HG3 ARG A 27 19.868 5.973 28.027 1.00 22.90 H new ATOM 0 HD2 ARG A 27 18.676 7.562 30.106 1.00 28.04 H new ATOM 0 HD3 ARG A 27 19.325 8.203 28.841 1.00 28.04 H new ATOM 0 HE ARG A 27 17.407 6.461 28.151 1.00 26.77 H new ATOM 0 HH11 ARG A 27 17.702 9.631 29.032 1.00 16.38 H new ATOM 0 HH12 ARG A 27 16.421 10.090 28.427 1.00 16.38 H new ATOM 0 HH21 ARG A 27 15.462 7.165 27.238 1.00 20.05 H new ATOM 0 HH22 ARG A 27 15.064 8.596 27.341 1.00 20.05 H new ATOM 243 N GLN A 28 20.825 1.997 27.628 1.00 13.67 N ATOM 244 CA GLN A 28 20.860 1.526 26.240 1.00 11.15 C ATOM 245 C GLN A 28 19.711 0.504 25.960 1.00 10.96 C ATOM 246 O GLN A 28 19.211 -0.176 26.853 1.00 13.32 O ATOM 247 CB GLN A 28 22.201 0.820 25.993 1.00 13.08 C ATOM 248 CG GLN A 28 23.309 1.857 25.843 1.00 12.23 C ATOM 249 CD GLN A 28 23.169 2.607 24.533 1.00 13.85 C ATOM 250 OE1 GLN A 28 23.364 2.058 23.478 1.00 14.75 O ATOM 251 NE2 GLN A 28 22.868 3.907 24.605 1.00 14.74 N ATOM 0 H GLN A 28 21.271 1.529 28.195 1.00 13.67 H new ATOM 0 HA GLN A 28 20.750 2.291 25.654 1.00 11.15 H new ATOM 0 HB2 GLN A 28 22.403 0.223 26.730 1.00 13.08 H new ATOM 0 HB3 GLN A 28 22.146 0.274 25.193 1.00 13.08 H new ATOM 0 HG2 GLN A 28 23.275 2.482 26.584 1.00 12.23 H new ATOM 0 HG3 GLN A 28 24.174 1.420 25.880 1.00 12.23 H new ATOM 0 HE21 GLN A 28 22.733 4.275 25.370 1.00 14.74 H new ATOM 0 HE22 GLN A 28 22.809 4.375 23.886 1.00 14.74 H new ATOM 252 N SER A 29 19.330 0.438 24.679 1.00 11.92 N ATOM 253 CA SER A 29 18.240 -0.463 24.192 1.00 10.60 C ATOM 254 C SER A 29 18.777 -1.319 23.079 1.00 11.15 C ATOM 255 O SER A 29 19.719 -0.937 22.374 1.00 13.62 O ATOM 256 CB SER A 29 17.057 0.375 23.653 1.00 10.51 C ATOM 257 OG SER A 29 16.555 1.101 24.784 1.00 11.38 O ATOM 0 H SER A 29 19.690 0.911 24.057 1.00 11.92 H new ATOM 0 HA SER A 29 17.931 -1.016 24.926 1.00 10.60 H new ATOM 0 HB2 SER A 29 17.348 0.979 22.951 1.00 10.51 H new ATOM 0 HB3 SER A 29 16.371 -0.195 23.271 1.00 10.51 H new ATOM 0 HG SER A 29 15.943 0.659 25.152 1.00 11.38 H new ATOM 258 N PRO A 30 18.121 -2.440 22.856 1.00 10.84 N ATOM 259 CA PRO A 30 16.949 -2.969 23.560 1.00 11.84 C ATOM 260 C PRO A 30 17.342 -3.677 24.858 1.00 12.42 C ATOM 261 O PRO A 30 18.558 -3.732 25.168 1.00 12.31 O ATOM 262 CB PRO A 30 16.405 -3.939 22.524 1.00 10.46 C ATOM 263 CG PRO A 30 17.696 -4.579 21.907 1.00 10.62 C ATOM 264 CD PRO A 30 18.623 -3.377 21.816 1.00 10.90 C ATOM 0 HA PRO A 30 16.313 -2.295 23.846 1.00 11.84 H new ATOM 0 HB2 PRO A 30 15.833 -4.609 22.929 1.00 10.46 H new ATOM 0 HB3 PRO A 30 15.876 -3.483 21.851 1.00 10.46 H new ATOM 0 HG2 PRO A 30 18.061 -5.279 22.471 1.00 10.62 H new ATOM 0 HG3 PRO A 30 17.527 -4.975 21.038 1.00 10.62 H new ATOM 0 HD2 PRO A 30 19.545 -3.629 21.983 1.00 10.90 H new ATOM 0 HD3 PRO A 30 18.594 -2.974 20.934 1.00 10.90 H new ATOM 265 N VAL A 31 16.348 -4.225 25.562 1.00 12.45 N ATOM 266 CA VAL A 31 16.608 -5.000 26.769 1.00 11.37 C ATOM 267 C VAL A 31 15.678 -6.210 26.748 1.00 12.96 C ATOM 268 O VAL A 31 14.663 -6.270 26.012 1.00 11.64 O ATOM 269 CB VAL A 31 16.317 -4.154 28.061 1.00 13.02 C ATOM 270 CG1 VAL A 31 17.254 -2.943 28.197 1.00 13.73 C ATOM 271 CG2 VAL A 31 14.841 -3.696 28.125 1.00 12.33 C ATOM 0 H VAL A 31 15.516 -4.157 25.354 1.00 12.45 H new ATOM 0 HA VAL A 31 17.541 -5.266 26.788 1.00 11.37 H new ATOM 0 HB VAL A 31 16.490 -4.745 28.811 1.00 13.02 H new ATOM 0 HG11 VAL A 31 17.036 -2.454 29.006 1.00 13.73 H new ATOM 0 HG12 VAL A 31 18.174 -3.249 28.242 1.00 13.73 H new ATOM 0 HG13 VAL A 31 17.144 -2.361 27.429 1.00 13.73 H new ATOM 0 HG21 VAL A 31 14.697 -3.178 28.933 1.00 12.33 H new ATOM 0 HG22 VAL A 31 14.638 -3.149 27.350 1.00 12.33 H new ATOM 0 HG23 VAL A 31 14.261 -4.473 28.132 1.00 12.33 H new ATOM 272 N ASP A 32 16.002 -7.196 27.609 1.00 12.92 N ATOM 273 CA ASP A 32 15.087 -8.250 27.872 1.00 12.56 C ATOM 274 C ASP A 32 13.986 -7.710 28.817 1.00 14.02 C ATOM 275 O ASP A 32 14.279 -7.075 29.846 1.00 14.73 O ATOM 276 CB ASP A 32 15.802 -9.437 28.535 1.00 15.15 C ATOM 277 CG ASP A 32 14.811 -10.582 28.823 1.00 15.56 C ATOM 278 OD1 ASP A 32 14.163 -11.059 27.837 1.00 15.15 O ATOM 279 OD2 ASP A 32 14.737 -11.064 30.004 1.00 18.42 O ATOM 0 H ASP A 32 16.748 -7.248 28.034 1.00 12.92 H new ATOM 0 HA ASP A 32 14.699 -8.560 27.038 1.00 12.56 H new ATOM 0 HB2 ASP A 32 16.512 -9.756 27.957 1.00 15.15 H new ATOM 0 HB3 ASP A 32 16.218 -9.148 29.362 1.00 15.15 H new ATOM 280 N ILE A 33 12.751 -8.011 28.493 1.00 13.12 N ATOM 281 CA ILE A 33 11.683 -7.659 29.362 1.00 13.15 C ATOM 282 C ILE A 33 11.336 -8.829 30.258 1.00 14.10 C ATOM 283 O ILE A 33 10.734 -9.764 29.817 1.00 14.54 O ATOM 284 CB ILE A 33 10.452 -7.180 28.582 1.00 12.70 C ATOM 285 CG1 ILE A 33 10.801 -5.919 27.816 1.00 10.66 C ATOM 286 CG2 ILE A 33 9.301 -6.897 29.520 1.00 11.89 C ATOM 287 CD1 ILE A 33 9.852 -5.599 26.721 1.00 8.93 C ATOM 0 H ILE A 33 12.518 -8.419 27.773 1.00 13.12 H new ATOM 0 HA ILE A 33 11.976 -6.918 29.915 1.00 13.15 H new ATOM 0 HB ILE A 33 10.184 -7.879 27.965 1.00 12.70 H new ATOM 0 HG12 ILE A 33 10.830 -5.173 28.435 1.00 10.66 H new ATOM 0 HG13 ILE A 33 11.691 -6.014 27.443 1.00 10.66 H new ATOM 0 HG21 ILE A 33 8.533 -6.596 29.009 1.00 11.89 H new ATOM 0 HG22 ILE A 33 9.070 -7.706 30.003 1.00 11.89 H new ATOM 0 HG23 ILE A 33 9.560 -6.207 30.151 1.00 11.89 H new ATOM 0 HD11 ILE A 33 10.134 -4.785 26.276 1.00 8.93 H new ATOM 0 HD12 ILE A 33 9.837 -6.328 26.082 1.00 8.93 H new ATOM 0 HD13 ILE A 33 8.963 -5.474 27.089 1.00 8.93 H new ATOM 288 N ASP A 34 11.785 -8.745 31.497 1.00 15.54 N ATOM 289 CA ASP A 34 11.505 -9.807 32.523 1.00 17.97 C ATOM 290 C ASP A 34 10.045 -9.561 33.073 1.00 18.94 C ATOM 291 O ASP A 34 9.821 -8.624 33.812 1.00 21.59 O ATOM 292 CB ASP A 34 12.620 -9.763 33.586 1.00 21.53 C ATOM 293 CG ASP A 34 12.346 -10.690 34.780 1.00 26.07 C ATOM 294 OD1 ASP A 34 11.217 -11.204 34.894 1.00 24.61 O ATOM 295 OD2 ASP A 34 13.294 -10.906 35.588 1.00 35.88 O ATOM 0 H ASP A 34 12.258 -8.089 31.790 1.00 15.54 H new ATOM 0 HA ASP A 34 11.520 -10.708 32.164 1.00 17.97 H new ATOM 0 HB2 ASP A 34 13.462 -10.013 33.175 1.00 21.53 H new ATOM 0 HB3 ASP A 34 12.720 -8.853 33.906 1.00 21.53 H new ATOM 296 N THR A 35 9.063 -10.316 32.614 1.00 19.06 N ATOM 297 CA THR A 35 7.631 -9.975 32.788 1.00 21.09 C ATOM 298 C THR A 35 7.222 -10.129 34.242 1.00 24.60 C ATOM 299 O THR A 35 6.243 -9.506 34.713 1.00 23.21 O ATOM 300 CB THR A 35 6.735 -10.860 31.981 1.00 26.40 C ATOM 301 OG1 THR A 35 6.963 -12.226 32.363 1.00 24.68 O ATOM 302 CG2 THR A 35 7.012 -10.686 30.475 1.00 23.17 C ATOM 0 H THR A 35 9.194 -11.051 32.187 1.00 19.06 H new ATOM 0 HA THR A 35 7.534 -9.057 32.489 1.00 21.09 H new ATOM 0 HB THR A 35 5.811 -10.617 32.150 1.00 26.40 H new ATOM 0 HG1 THR A 35 7.149 -12.680 31.682 1.00 24.68 H new ATOM 0 HG21 THR A 35 6.423 -11.267 29.968 1.00 23.17 H new ATOM 0 HG22 THR A 35 6.853 -9.763 30.221 1.00 23.17 H new ATOM 0 HG23 THR A 35 7.935 -10.918 30.287 1.00 23.17 H new ATOM 303 N HIS A 36 8.050 -10.893 34.944 1.00 24.32 N ATOM 304 CA HIS A 36 7.912 -11.095 36.379 1.00 26.06 C ATOM 305 C HIS A 36 8.481 -10.004 37.258 1.00 29.17 C ATOM 306 O HIS A 36 7.992 -9.828 38.377 1.00 38.02 O ATOM 307 CB HIS A 36 8.408 -12.526 36.737 1.00 28.36 C ATOM 308 CG HIS A 36 7.638 -13.638 35.981 1.00 27.37 C ATOM 309 ND1 HIS A 36 8.225 -14.438 35.040 1.00 34.98 N ATOM 310 CD2 HIS A 36 6.292 -13.997 36.007 1.00 27.99 C ATOM 311 CE1 HIS A 36 7.320 -15.289 34.539 1.00 32.16 C ATOM 312 NE2 HIS A 36 6.127 -15.015 35.101 1.00 32.22 N ATOM 0 H HIS A 36 8.715 -11.313 34.596 1.00 24.32 H new ATOM 0 HA HIS A 36 6.967 -11.024 36.588 1.00 26.06 H new ATOM 0 HB2 HIS A 36 9.353 -12.597 36.531 1.00 28.36 H new ATOM 0 HB3 HIS A 36 8.314 -12.666 37.692 1.00 28.36 H new ATOM 0 HD1 HIS A 36 9.051 -14.400 34.805 1.00 34.98 H new ATOM 0 HD2 HIS A 36 5.630 -13.618 36.538 1.00 27.99 H new ATOM 0 HE1 HIS A 36 7.487 -15.955 33.911 1.00 32.16 H new ATOM 313 N THR A 37 9.485 -9.260 36.823 1.00 24.22 N ATOM 314 CA THR A 37 10.022 -8.153 37.610 1.00 25.21 C ATOM 315 C THR A 37 9.583 -6.751 37.084 1.00 23.95 C ATOM 316 O THR A 37 9.927 -5.702 37.713 1.00 26.20 O ATOM 317 CB THR A 37 11.550 -8.251 37.894 1.00 29.98 C ATOM 318 OG1 THR A 37 12.309 -7.930 36.730 1.00 37.30 O ATOM 319 CG2 THR A 37 11.917 -9.654 38.317 1.00 29.49 C ATOM 0 H THR A 37 9.876 -9.379 36.066 1.00 24.22 H new ATOM 0 HA THR A 37 9.605 -8.250 38.480 1.00 25.21 H new ATOM 0 HB THR A 37 11.753 -7.620 38.602 1.00 29.98 H new ATOM 0 HG1 THR A 37 13.129 -7.988 36.905 1.00 37.30 H new ATOM 0 HG21 THR A 37 12.870 -9.701 38.490 1.00 29.49 H new ATOM 0 HG22 THR A 37 11.430 -9.887 39.123 1.00 29.49 H new ATOM 0 HG23 THR A 37 11.687 -10.276 37.609 1.00 29.49 H new ATOM 320 N ALA A 38 8.842 -6.754 35.972 1.00 21.93 N ATOM 321 CA ALA A 38 8.194 -5.507 35.493 1.00 21.85 C ATOM 322 C ALA A 38 7.088 -5.144 36.493 1.00 23.69 C ATOM 323 O ALA A 38 6.297 -5.998 36.891 1.00 27.21 O ATOM 324 CB ALA A 38 7.600 -5.656 34.112 1.00 18.94 C ATOM 0 H ALA A 38 8.699 -7.447 35.484 1.00 21.93 H new ATOM 0 HA ALA A 38 8.866 -4.810 35.433 1.00 21.85 H new ATOM 0 HB1 ALA A 38 7.190 -4.819 33.844 1.00 18.94 H new ATOM 0 HB2 ALA A 38 8.300 -5.889 33.482 1.00 18.94 H new ATOM 0 HB3 ALA A 38 6.928 -6.356 34.122 1.00 18.94 H new ATOM 325 N LYS A 39 7.052 -3.869 36.879 1.00 23.07 N ATOM 326 CA LYS A 39 6.050 -3.373 37.829 1.00 25.68 C ATOM 327 C LYS A 39 4.733 -2.899 37.181 1.00 23.93 C ATOM 328 O LYS A 39 4.704 -1.927 36.411 1.00 21.30 O ATOM 329 CB LYS A 39 6.692 -2.244 38.631 1.00 26.28 C ATOM 330 CG LYS A 39 5.790 -1.517 39.633 1.00 32.88 C ATOM 331 CD LYS A 39 5.696 -2.157 41.024 1.00 28.78 C ATOM 332 CE LYS A 39 4.928 -1.215 41.949 1.00 33.06 C ATOM 333 NZ LYS A 39 4.763 -1.698 43.359 1.00 33.15 N ATOM 0 H LYS A 39 7.603 -3.270 36.601 1.00 23.07 H new ATOM 0 HA LYS A 39 5.789 -4.115 38.397 1.00 25.68 H new ATOM 0 HB2 LYS A 39 7.450 -2.608 39.114 1.00 26.28 H new ATOM 0 HB3 LYS A 39 7.041 -1.589 38.007 1.00 26.28 H new ATOM 0 HG2 LYS A 39 6.112 -0.608 39.734 1.00 32.88 H new ATOM 0 HG3 LYS A 39 4.897 -1.461 39.259 1.00 32.88 H new ATOM 0 HD2 LYS A 39 5.246 -3.015 40.969 1.00 28.78 H new ATOM 0 HD3 LYS A 39 6.584 -2.325 41.377 1.00 28.78 H new ATOM 0 HE2 LYS A 39 5.384 -0.359 41.967 1.00 33.06 H new ATOM 0 HE3 LYS A 39 4.048 -1.059 41.571 1.00 33.06 H new ATOM 0 HZ1 LYS A 39 4.307 -1.094 43.828 1.00 33.15 H new ATOM 0 HZ2 LYS A 39 4.319 -2.470 43.359 1.00 33.15 H new ATOM 0 HZ3 LYS A 39 5.564 -1.817 43.728 1.00 33.15 H new ATOM 334 N TYR A 40 3.628 -3.503 37.582 1.00 24.39 N ATOM 335 CA TYR A 40 2.364 -2.936 37.224 1.00 25.37 C ATOM 336 C TYR A 40 2.198 -1.551 37.841 1.00 25.28 C ATOM 337 O TYR A 40 2.424 -1.356 39.060 1.00 25.57 O ATOM 338 CB TYR A 40 1.225 -3.869 37.570 1.00 29.10 C ATOM 339 CG TYR A 40 -0.106 -3.198 37.437 1.00 31.45 C ATOM 340 CD1 TYR A 40 -0.554 -2.721 36.201 1.00 31.95 C ATOM 341 CD2 TYR A 40 -0.931 -3.029 38.556 1.00 36.84 C ATOM 342 CE1 TYR A 40 -1.755 -2.084 36.070 1.00 33.48 C ATOM 343 CE2 TYR A 40 -2.167 -2.400 38.430 1.00 34.53 C ATOM 344 CZ TYR A 40 -2.570 -1.931 37.199 1.00 39.34 C ATOM 345 OH TYR A 40 -3.777 -1.308 37.082 1.00 40.21 O ATOM 0 H TYR A 40 3.596 -4.224 38.050 1.00 24.39 H new ATOM 0 HA TYR A 40 2.341 -2.821 36.261 1.00 25.37 H new ATOM 0 HB2 TYR A 40 1.255 -4.645 36.989 1.00 29.10 H new ATOM 0 HB3 TYR A 40 1.335 -4.191 38.478 1.00 29.10 H new ATOM 0 HD1 TYR A 40 -0.020 -2.841 35.449 1.00 31.95 H new ATOM 0 HD2 TYR A 40 -0.652 -3.338 39.387 1.00 36.84 H new ATOM 0 HE1 TYR A 40 -2.028 -1.757 35.243 1.00 33.48 H new ATOM 0 HE2 TYR A 40 -2.717 -2.297 39.173 1.00 34.53 H new ATOM 0 HH TYR A 40 -4.156 -1.288 37.831 1.00 40.21 H new ATOM 346 N ASP A 41 1.804 -0.592 36.995 1.00 25.88 N ATOM 347 CA ASP A 41 1.698 0.777 37.475 1.00 26.99 C ATOM 348 C ASP A 41 0.325 1.347 37.189 1.00 30.43 C ATOM 349 O ASP A 41 0.051 1.760 36.045 1.00 25.45 O ATOM 350 CB ASP A 41 2.773 1.691 36.895 1.00 30.09 C ATOM 351 CG ASP A 41 2.694 3.121 37.476 1.00 33.14 C ATOM 352 OD1 ASP A 41 1.746 3.421 38.229 1.00 35.01 O ATOM 353 OD2 ASP A 41 3.590 3.928 37.195 1.00 35.05 O ATOM 0 H ASP A 41 1.601 -0.713 36.168 1.00 25.88 H new ATOM 0 HA ASP A 41 1.836 0.740 38.434 1.00 26.99 H new ATOM 0 HB2 ASP A 41 3.649 1.316 37.079 1.00 30.09 H new ATOM 0 HB3 ASP A 41 2.678 1.729 35.930 1.00 30.09 H new ATOM 354 N PRO A 42 -0.544 1.412 38.233 1.00 33.74 N ATOM 355 CA PRO A 42 -1.958 1.741 37.982 1.00 35.78 C ATOM 356 C PRO A 42 -2.144 3.227 37.641 1.00 34.25 C ATOM 357 O PRO A 42 -3.236 3.638 37.195 1.00 37.89 O ATOM 358 CB PRO A 42 -2.656 1.393 39.325 1.00 37.13 C ATOM 359 CG PRO A 42 -1.614 0.685 40.161 1.00 38.99 C ATOM 360 CD PRO A 42 -0.282 1.191 39.670 1.00 34.73 C ATOM 0 HA PRO A 42 -2.321 1.256 37.224 1.00 35.78 H new ATOM 0 HB2 PRO A 42 -2.973 2.194 39.770 1.00 37.13 H new ATOM 0 HB3 PRO A 42 -3.429 0.825 39.178 1.00 37.13 H new ATOM 0 HG2 PRO A 42 -1.734 0.879 41.104 1.00 38.99 H new ATOM 0 HG3 PRO A 42 -1.680 -0.277 40.058 1.00 38.99 H new ATOM 0 HD2 PRO A 42 -0.016 2.008 40.120 1.00 34.73 H new ATOM 0 HD3 PRO A 42 0.427 0.545 39.814 1.00 34.73 H new ATOM 361 N SER A 43 -1.094 4.020 37.831 1.00 33.74 N ATOM 362 CA SER A 43 -1.129 5.418 37.423 1.00 36.23 C ATOM 363 C SER A 43 -0.817 5.632 35.925 1.00 36.87 C ATOM 364 O SER A 43 -1.000 6.736 35.407 1.00 41.10 O ATOM 365 CB SER A 43 -0.235 6.289 38.320 1.00 39.50 C ATOM 366 OG SER A 43 1.124 6.258 37.919 1.00 38.58 O ATOM 0 H SER A 43 -0.355 3.769 38.193 1.00 33.74 H new ATOM 0 HA SER A 43 -2.047 5.707 37.543 1.00 36.23 H new ATOM 0 HB2 SER A 43 -0.555 7.205 38.300 1.00 39.50 H new ATOM 0 HB3 SER A 43 -0.306 5.983 39.238 1.00 39.50 H new ATOM 0 HG SER A 43 1.414 5.471 37.971 1.00 38.58 H new ATOM 367 N LEU A 44 -0.349 4.598 35.213 1.00 33.34 N ATOM 368 CA LEU A 44 -0.136 4.728 33.770 1.00 30.96 C ATOM 369 C LEU A 44 -1.484 4.876 33.069 1.00 36.04 C ATOM 370 O LEU A 44 -2.433 4.136 33.359 1.00 35.00 O ATOM 371 CB LEU A 44 0.583 3.495 33.210 1.00 28.85 C ATOM 372 CG LEU A 44 2.087 3.414 33.480 1.00 25.06 C ATOM 373 CD1 LEU A 44 2.583 2.018 33.089 1.00 25.22 C ATOM 374 CD2 LEU A 44 2.846 4.505 32.737 1.00 23.62 C ATOM 0 H LEU A 44 -0.153 3.828 35.542 1.00 33.34 H new ATOM 0 HA LEU A 44 0.414 5.511 33.612 1.00 30.96 H new ATOM 0 HB2 LEU A 44 0.163 2.702 33.579 1.00 28.85 H new ATOM 0 HB3 LEU A 44 0.443 3.469 32.251 1.00 28.85 H new ATOM 0 HG LEU A 44 2.252 3.560 34.425 1.00 25.06 H new ATOM 0 HD11 LEU A 44 3.536 1.955 33.256 1.00 25.22 H new ATOM 0 HD12 LEU A 44 2.118 1.350 33.616 1.00 25.22 H new ATOM 0 HD13 LEU A 44 2.409 1.865 32.147 1.00 25.22 H new ATOM 0 HD21 LEU A 44 3.794 4.427 32.928 1.00 23.62 H new ATOM 0 HD22 LEU A 44 2.700 4.409 31.783 1.00 23.62 H new ATOM 0 HD23 LEU A 44 2.529 5.375 33.026 1.00 23.62 H new ATOM 375 N LYS A 45 -1.562 5.819 32.143 1.00 34.74 N ATOM 376 CA LYS A 45 -2.782 6.016 31.335 1.00 32.95 C ATOM 377 C LYS A 45 -2.808 5.067 30.151 1.00 30.89 C ATOM 378 O LYS A 45 -1.746 4.509 29.768 1.00 29.82 O ATOM 379 CB LYS A 45 -2.811 7.423 30.811 1.00 34.20 C ATOM 380 CG LYS A 45 -2.823 8.459 31.907 1.00 38.23 C ATOM 381 CD LYS A 45 -2.902 9.866 31.343 1.00 45.14 C ATOM 382 CE LYS A 45 -2.506 10.879 32.416 1.00 50.83 C ATOM 383 NZ LYS A 45 -1.125 10.556 32.894 1.00 49.82 N ATOM 0 H LYS A 45 -0.922 6.363 31.958 1.00 34.74 H new ATOM 0 HA LYS A 45 -3.550 5.843 31.901 1.00 32.95 H new ATOM 0 HB2 LYS A 45 -2.037 7.568 30.244 1.00 34.20 H new ATOM 0 HB3 LYS A 45 -3.597 7.539 30.254 1.00 34.20 H new ATOM 0 HG2 LYS A 45 -3.579 8.302 32.494 1.00 38.23 H new ATOM 0 HG3 LYS A 45 -2.022 8.370 32.446 1.00 38.23 H new ATOM 0 HD2 LYS A 45 -2.314 9.949 30.576 1.00 45.14 H new ATOM 0 HD3 LYS A 45 -3.802 10.048 31.031 1.00 45.14 H new ATOM 0 HE2 LYS A 45 -2.535 11.779 32.056 1.00 50.83 H new ATOM 0 HE3 LYS A 45 -3.133 10.849 33.155 1.00 50.83 H new ATOM 0 HZ1 LYS A 45 -0.673 11.311 33.030 1.00 49.82 H new ATOM 0 HZ2 LYS A 45 -1.174 10.099 33.656 1.00 49.82 H new ATOM 0 HZ3 LYS A 45 -0.705 10.066 32.281 1.00 49.82 H new ATOM 384 N PRO A 46 -4.021 4.850 29.554 1.00 26.13 N ATOM 385 CA PRO A 46 -4.050 4.141 28.284 1.00 23.31 C ATOM 386 C PRO A 46 -3.182 4.977 27.307 1.00 21.17 C ATOM 387 O PRO A 46 -3.128 6.218 27.383 1.00 22.34 O ATOM 388 CB PRO A 46 -5.561 4.100 27.904 1.00 26.31 C ATOM 389 CG PRO A 46 -6.288 4.393 29.184 1.00 27.11 C ATOM 390 CD PRO A 46 -5.374 5.278 29.983 1.00 28.57 C ATOM 0 HA PRO A 46 -3.697 3.237 28.285 1.00 23.31 H new ATOM 0 HB2 PRO A 46 -5.770 4.757 27.222 1.00 26.31 H new ATOM 0 HB3 PRO A 46 -5.811 3.233 27.548 1.00 26.31 H new ATOM 0 HG2 PRO A 46 -7.134 4.834 29.010 1.00 27.11 H new ATOM 0 HG3 PRO A 46 -6.488 3.575 29.665 1.00 27.11 H new ATOM 0 HD2 PRO A 46 -5.529 6.217 29.793 1.00 28.57 H new ATOM 0 HD3 PRO A 46 -5.502 5.156 30.937 1.00 28.57 H new ATOM 391 N LEU A 47 -2.527 4.261 26.412 1.00 23.74 N ATOM 392 CA LEU A 47 -1.793 4.828 25.311 1.00 21.78 C ATOM 393 C LEU A 47 -2.825 5.346 24.330 1.00 24.33 C ATOM 394 O LEU A 47 -3.806 4.650 24.030 1.00 25.01 O ATOM 395 CB LEU A 47 -1.055 3.686 24.644 1.00 24.29 C ATOM 396 CG LEU A 47 0.044 4.035 23.717 1.00 25.29 C ATOM 397 CD1 LEU A 47 1.054 4.917 24.463 1.00 24.49 C ATOM 398 CD2 LEU A 47 0.652 2.724 23.218 1.00 25.44 C ATOM 0 H LEU A 47 -2.499 3.402 26.433 1.00 23.74 H new ATOM 0 HA LEU A 47 -1.182 5.528 25.591 1.00 21.78 H new ATOM 0 HB2 LEU A 47 -0.691 3.117 25.340 1.00 24.29 H new ATOM 0 HB3 LEU A 47 -1.703 3.156 24.155 1.00 24.29 H new ATOM 0 HG LEU A 47 -0.262 4.542 22.949 1.00 25.29 H new ATOM 0 HD11 LEU A 47 1.781 5.153 23.866 1.00 24.49 H new ATOM 0 HD12 LEU A 47 0.613 5.725 24.771 1.00 24.49 H new ATOM 0 HD13 LEU A 47 1.407 4.431 25.225 1.00 24.49 H new ATOM 0 HD21 LEU A 47 1.379 2.917 22.605 1.00 25.44 H new ATOM 0 HD22 LEU A 47 0.991 2.217 23.972 1.00 25.44 H new ATOM 0 HD23 LEU A 47 -0.028 2.206 22.760 1.00 25.44 H new ATOM 399 N SER A 48 -2.578 6.536 23.797 1.00 19.16 N ATOM 400 CA SER A 48 -3.397 7.098 22.777 1.00 21.48 C ATOM 401 C SER A 48 -2.677 7.138 21.470 1.00 21.07 C ATOM 402 O SER A 48 -1.690 7.864 21.331 1.00 17.35 O ATOM 403 CB SER A 48 -3.776 8.504 23.209 1.00 20.12 C ATOM 404 OG SER A 48 -4.332 9.271 22.158 1.00 22.40 O ATOM 0 H SER A 48 -1.917 7.034 24.031 1.00 19.16 H new ATOM 0 HA SER A 48 -4.189 6.551 22.654 1.00 21.48 H new ATOM 0 HB2 SER A 48 -4.414 8.453 23.938 1.00 20.12 H new ATOM 0 HB3 SER A 48 -2.989 8.956 23.552 1.00 20.12 H new ATOM 0 HG SER A 48 -3.716 9.648 21.730 1.00 22.40 H new ATOM 405 N VAL A 49 -3.148 6.354 20.520 1.00 18.45 N ATOM 406 CA VAL A 49 -2.520 6.259 19.184 1.00 21.11 C ATOM 407 C VAL A 49 -3.534 6.816 18.215 1.00 23.40 C ATOM 408 O VAL A 49 -4.630 6.267 18.047 1.00 25.26 O ATOM 409 CB VAL A 49 -2.169 4.794 18.826 1.00 23.07 C ATOM 410 CG1 VAL A 49 -1.496 4.693 17.440 1.00 25.18 C ATOM 411 CG2 VAL A 49 -1.320 4.146 19.914 1.00 24.34 C ATOM 0 H VAL A 49 -3.842 5.855 20.617 1.00 18.45 H new ATOM 0 HA VAL A 49 -1.685 6.751 19.155 1.00 21.11 H new ATOM 0 HB VAL A 49 -3.001 4.299 18.775 1.00 23.07 H new ATOM 0 HG11 VAL A 49 -1.290 3.765 17.247 1.00 25.18 H new ATOM 0 HG12 VAL A 49 -2.098 5.038 16.762 1.00 25.18 H new ATOM 0 HG13 VAL A 49 -0.677 5.213 17.439 1.00 25.18 H new ATOM 0 HG21 VAL A 49 -1.116 3.231 19.664 1.00 24.34 H new ATOM 0 HG22 VAL A 49 -0.494 4.644 20.020 1.00 24.34 H new ATOM 0 HG23 VAL A 49 -1.809 4.150 20.752 1.00 24.34 H new ATOM 412 N SER A 50 -3.231 7.970 17.644 1.00 18.58 N ATOM 413 CA SER A 50 -4.164 8.663 16.736 1.00 21.47 C ATOM 414 C SER A 50 -3.546 8.757 15.363 1.00 20.00 C ATOM 415 O SER A 50 -2.958 9.751 14.987 1.00 19.61 O ATOM 416 CB SER A 50 -4.599 10.023 17.306 1.00 21.81 C ATOM 417 OG SER A 50 -5.132 9.832 18.623 1.00 30.04 O ATOM 0 H SER A 50 -2.485 8.381 17.764 1.00 18.58 H new ATOM 0 HA SER A 50 -4.982 8.149 16.654 1.00 21.47 H new ATOM 0 HB2 SER A 50 -3.843 10.630 17.336 1.00 21.81 H new ATOM 0 HB3 SER A 50 -5.266 10.429 16.731 1.00 21.81 H new ATOM 0 HG SER A 50 -4.727 10.331 19.164 1.00 30.04 H new ATOM 418 N TYR A 51 -3.755 7.712 14.569 1.00 19.94 N ATOM 419 CA TYR A 51 -3.192 7.594 13.222 1.00 18.78 C ATOM 420 C TYR A 51 -4.164 7.865 12.032 1.00 19.77 C ATOM 421 O TYR A 51 -3.765 7.705 10.873 1.00 21.71 O ATOM 422 CB TYR A 51 -2.453 6.245 13.005 1.00 18.45 C ATOM 423 CG TYR A 51 -1.154 5.990 13.816 1.00 17.63 C ATOM 424 CD1 TYR A 51 -0.415 7.045 14.460 1.00 18.05 C ATOM 425 CD2 TYR A 51 -0.662 4.699 13.885 1.00 16.85 C ATOM 426 CE1 TYR A 51 0.760 6.752 15.215 1.00 15.96 C ATOM 427 CE2 TYR A 51 0.499 4.404 14.563 1.00 17.03 C ATOM 428 CZ TYR A 51 1.204 5.444 15.224 1.00 16.43 C ATOM 429 OH TYR A 51 2.348 5.086 15.877 1.00 16.22 O ATOM 0 H TYR A 51 -4.236 7.038 14.800 1.00 19.94 H new ATOM 0 HA TYR A 51 -2.557 8.327 13.201 1.00 18.78 H new ATOM 0 HB2 TYR A 51 -3.075 5.529 13.207 1.00 18.45 H new ATOM 0 HB3 TYR A 51 -2.234 6.174 12.063 1.00 18.45 H new ATOM 0 HD1 TYR A 51 -0.706 7.925 14.383 1.00 18.05 H new ATOM 0 HD2 TYR A 51 -1.127 4.013 13.463 1.00 16.85 H new ATOM 0 HE1 TYR A 51 1.210 7.417 15.684 1.00 15.96 H new ATOM 0 HE2 TYR A 51 0.819 3.531 14.588 1.00 17.03 H new ATOM 0 HH TYR A 51 2.899 5.719 15.846 1.00 16.22 H new ATOM 430 N ASP A 52 -5.400 8.302 12.333 1.00 24.64 N ATOM 431 CA ASP A 52 -6.431 8.577 11.287 1.00 28.15 C ATOM 432 C ASP A 52 -5.940 9.451 10.127 1.00 28.52 C ATOM 433 O ASP A 52 -6.211 9.178 8.956 1.00 29.62 O ATOM 434 CB ASP A 52 -7.786 9.076 11.852 1.00 31.38 C ATOM 435 CG ASP A 52 -7.650 10.155 12.944 1.00 37.43 C ATOM 436 OD1 ASP A 52 -7.311 9.845 14.121 1.00 43.06 O ATOM 437 OD2 ASP A 52 -7.925 11.343 12.630 1.00 48.79 O ATOM 0 H ASP A 52 -5.669 8.448 13.137 1.00 24.64 H new ATOM 0 HA ASP A 52 -6.600 7.701 10.906 1.00 28.15 H new ATOM 0 HB2 ASP A 52 -8.319 9.432 11.123 1.00 31.38 H new ATOM 0 HB3 ASP A 52 -8.272 8.320 12.216 1.00 31.38 H new ATOM 438 N AGLN A 53 -5.161 10.458 10.465 0.50 25.65 N ATOM 439 N BGLN A 53 -5.190 10.496 10.432 0.50 26.20 N ATOM 440 CA AGLN A 53 -4.710 11.375 9.433 0.50 24.43 C ATOM 441 CA BGLN A 53 -4.733 11.370 9.338 0.50 24.90 C ATOM 442 C AGLN A 53 -3.249 11.199 9.069 0.50 21.58 C ATOM 443 C BGLN A 53 -3.298 11.104 8.882 0.50 21.63 C ATOM 444 O AGLN A 53 -2.654 12.133 8.544 0.50 20.76 O ATOM 445 O BGLN A 53 -2.758 11.880 8.104 0.50 20.36 O ATOM 446 CB AGLN A 53 -5.004 12.812 9.871 0.50 25.90 C ATOM 447 CB BGLN A 53 -4.925 12.858 9.694 0.50 27.48 C ATOM 448 CG AGLN A 53 -6.444 13.020 10.320 0.50 28.38 C ATOM 449 CG BGLN A 53 -6.348 13.418 9.593 0.50 31.49 C ATOM 450 CD AGLN A 53 -7.404 12.821 9.168 0.50 29.70 C ATOM 451 CD BGLN A 53 -6.465 14.846 10.146 0.50 33.78 C ATOM 452 OE1AGLN A 53 -7.120 13.232 8.040 0.50 35.24 O ATOM 453 OE1BGLN A 53 -6.371 15.068 11.355 0.50 30.39 O ATOM 454 NE2AGLN A 53 -8.538 12.163 9.434 0.50 30.84 N ATOM 455 NE2BGLN A 53 -6.685 15.819 9.257 0.50 34.53 N ATOM 0 H AGLN A 53 -4.886 10.629 11.262 0.50 26.20 H new ATOM 0 H BGLN A 53 -4.938 10.719 11.223 0.50 26.20 H new ATOM 0 HA AGLN A 53 -5.204 11.170 8.623 0.50 24.90 H new ATOM 0 HA BGLN A 53 -5.298 11.148 8.581 0.50 24.90 H new ATOM 0 HB2AGLN A 53 -4.407 13.051 10.597 0.50 27.48 H new ATOM 0 HB2BGLN A 53 -4.611 12.994 10.602 0.50 27.48 H new ATOM 0 HB3AGLN A 53 -4.811 13.414 9.135 0.50 27.48 H new ATOM 0 HB3BGLN A 53 -4.352 13.383 9.114 0.50 27.48 H new ATOM 0 HG2AGLN A 53 -6.657 12.399 11.034 0.50 31.49 H new ATOM 0 HG2BGLN A 53 -6.629 13.411 8.665 0.50 31.49 H new ATOM 0 HG3AGLN A 53 -6.548 13.914 10.681 0.50 31.49 H new ATOM 0 HG3BGLN A 53 -6.955 12.837 10.078 0.50 31.49 H new ATOM 0 HE21AGLN A 53 -8.700 11.892 10.234 0.50 34.53 H new ATOM 0 HE21BGLN A 53 -6.746 15.631 8.420 0.50 34.53 H new ATOM 0 HE22AGLN A 53 -9.105 12.011 8.805 0.50 34.53 H new ATOM 0 HE22BGLN A 53 -6.766 16.633 9.522 0.50 34.53 H new ATOM 456 N ALA A 54 -2.651 10.024 9.339 1.00 20.62 N ATOM 457 CA ALA A 54 -1.264 9.784 8.912 1.00 16.98 C ATOM 458 C ALA A 54 -1.060 9.927 7.408 1.00 19.67 C ATOM 459 O ALA A 54 -1.908 9.448 6.632 1.00 21.61 O ATOM 460 CB ALA A 54 -0.702 8.408 9.384 1.00 16.65 C ATOM 0 H AALA A 54 -3.022 9.371 9.757 0.50 20.62 H new ATOM 0 H BALA A 54 -2.981 9.439 9.876 0.50 20.62 H new ATOM 0 HA ALA A 54 -0.761 10.486 9.354 1.00 16.98 H new ATOM 0 HB1 ALA A 54 0.212 8.308 9.074 1.00 16.65 H new ATOM 0 HB2 ALA A 54 -0.720 8.366 10.353 1.00 16.65 H new ATOM 0 HB3 ALA A 54 -1.247 7.693 9.019 1.00 16.65 H new ATOM 461 N THR A 55 0.029 10.602 7.006 1.00 17.83 N ATOM 462 CA THR A 55 0.384 10.739 5.568 1.00 18.91 C ATOM 463 C THR A 55 1.746 10.237 5.238 1.00 18.85 C ATOM 464 O THR A 55 2.729 10.944 5.462 1.00 18.38 O ATOM 465 CB THR A 55 0.405 12.200 5.064 1.00 25.80 C ATOM 466 OG1 THR A 55 -0.680 12.902 5.620 1.00 30.87 O ATOM 467 CG2 THR A 55 0.266 12.163 3.512 1.00 24.57 C ATOM 0 H THR A 55 0.577 10.989 7.544 1.00 17.83 H new ATOM 0 HA THR A 55 -0.315 10.217 5.144 1.00 18.91 H new ATOM 0 HB THR A 55 1.228 12.643 5.323 1.00 25.80 H new ATOM 0 HG1 THR A 55 -1.399 12.603 5.305 1.00 30.87 H new ATOM 0 HG21 THR A 55 0.276 13.069 3.164 1.00 24.57 H new ATOM 0 HG22 THR A 55 1.006 11.663 3.132 1.00 24.57 H new ATOM 0 HG23 THR A 55 -0.570 11.734 3.272 1.00 24.57 H new ATOM 468 N SER A 56 1.838 9.032 4.693 1.00 18.61 N ATOM 469 CA SER A 56 3.123 8.529 4.309 1.00 19.17 C ATOM 470 C SER A 56 3.696 9.202 3.014 1.00 19.11 C ATOM 471 O SER A 56 2.950 9.760 2.143 1.00 23.01 O ATOM 472 CB SER A 56 3.055 6.999 4.181 1.00 20.57 C ATOM 473 OG SER A 56 2.171 6.635 3.111 1.00 21.27 O ATOM 0 H SER A 56 1.175 8.505 4.543 1.00 18.61 H new ATOM 0 HA SER A 56 3.752 8.764 5.009 1.00 19.17 H new ATOM 0 HB2 SER A 56 3.941 6.641 4.014 1.00 20.57 H new ATOM 0 HB3 SER A 56 2.744 6.611 5.014 1.00 20.57 H new ATOM 0 HG SER A 56 2.610 6.553 2.400 1.00 21.27 H new ATOM 474 N LEU A 57 4.989 9.268 2.932 1.00 19.24 N ATOM 475 CA LEU A 57 5.588 9.922 1.749 1.00 21.85 C ATOM 476 C LEU A 57 6.401 8.953 0.850 1.00 22.43 C ATOM 477 O LEU A 57 6.242 8.904 -0.394 1.00 21.21 O ATOM 478 CB LEU A 57 6.500 11.066 2.174 1.00 25.51 C ATOM 479 CG LEU A 57 5.849 12.308 2.810 1.00 28.99 C ATOM 480 CD1 LEU A 57 6.962 13.226 3.293 1.00 28.40 C ATOM 481 CD2 LEU A 57 4.936 13.023 1.809 1.00 32.89 C ATOM 0 H LEU A 57 5.544 8.961 3.513 1.00 19.24 H new ATOM 0 HA LEU A 57 4.839 10.252 1.228 1.00 21.85 H new ATOM 0 HB2 LEU A 57 7.146 10.713 2.805 1.00 25.51 H new ATOM 0 HB3 LEU A 57 6.996 11.357 1.393 1.00 25.51 H new ATOM 0 HG LEU A 57 5.291 12.045 3.558 1.00 28.99 H new ATOM 0 HD11 LEU A 57 6.575 14.018 3.699 1.00 28.40 H new ATOM 0 HD12 LEU A 57 7.505 12.760 3.948 1.00 28.40 H new ATOM 0 HD13 LEU A 57 7.516 13.486 2.541 1.00 28.40 H new ATOM 0 HD21 LEU A 57 4.538 13.800 2.232 1.00 32.89 H new ATOM 0 HD22 LEU A 57 5.456 13.304 1.040 1.00 32.89 H new ATOM 0 HD23 LEU A 57 4.235 12.418 1.521 1.00 32.89 H new ATOM 482 N AARG A 58 7.213 8.132 1.469 0.50 20.29 N ATOM 483 N BARG A 58 7.358 8.288 1.500 0.50 21.83 N ATOM 484 CA AARG A 58 8.205 7.430 0.709 0.50 18.04 C ATOM 485 CA BARG A 58 8.471 7.616 0.834 0.50 18.99 C ATOM 486 C AARG A 58 8.517 6.194 1.484 0.50 17.97 C ATOM 487 C BARG A 58 8.949 6.379 1.599 0.50 19.17 C ATOM 488 O AARG A 58 8.127 6.084 2.654 0.50 14.95 O ATOM 489 O BARG A 58 8.961 6.347 2.842 0.50 14.85 O ATOM 490 CB AARG A 58 9.501 8.240 0.655 0.50 17.88 C ATOM 491 CB BARG A 58 9.657 8.564 0.616 0.50 20.15 C ATOM 492 CG AARG A 58 9.590 9.383 -0.363 0.50 19.01 C ATOM 493 CG BARG A 58 10.813 7.930 -0.142 0.50 20.76 C ATOM 494 CD AARG A 58 11.051 9.695 -0.571 0.50 18.18 C ATOM 495 CD BARG A 58 11.855 8.891 -0.750 0.50 22.76 C ATOM 496 NE AARG A 58 11.871 9.346 0.615 0.50 18.30 N ATOM 497 NE BARG A 58 11.234 9.612 -1.842 0.50 20.33 N ATOM 498 CZ AARG A 58 13.208 9.243 0.600 0.50 17.61 C ATOM 499 CZ BARG A 58 11.374 9.347 -3.136 0.50 19.07 C ATOM 500 NH1AARG A 58 13.866 9.431 -0.513 0.50 18.39 N ATOM 501 NH1BARG A 58 12.234 8.435 -3.591 0.50 19.37 N ATOM 502 NH2AARG A 58 13.896 9.029 1.707 0.50 18.95 N ATOM 503 NH2BARG A 58 10.677 10.062 -3.984 0.50 17.98 N ATOM 0 H AARG A 58 7.207 7.970 2.314 0.50 21.83 H new ATOM 0 H BARG A 58 7.377 8.215 2.357 0.50 21.83 H new ATOM 0 HA AARG A 58 7.882 7.261 -0.190 0.50 18.99 H new ATOM 0 HA BARG A 58 8.128 7.330 -0.027 0.50 18.99 H new ATOM 0 HB2AARG A 58 9.655 8.614 1.537 0.50 20.15 H new ATOM 0 HB2BARG A 58 9.351 9.346 0.130 0.50 20.15 H new ATOM 0 HB3AARG A 58 10.229 7.625 0.476 0.50 20.15 H new ATOM 0 HB3BARG A 58 9.977 8.873 1.478 0.50 20.15 H new ATOM 0 HG2AARG A 58 9.174 9.127 -1.201 0.50 20.76 H new ATOM 0 HG2BARG A 58 11.274 7.325 0.460 0.50 20.76 H new ATOM 0 HG3AARG A 58 9.117 10.166 -0.039 0.50 20.76 H new ATOM 0 HG3BARG A 58 10.445 7.390 -0.859 0.50 20.76 H new ATOM 0 HD2AARG A 58 11.378 9.207 -1.343 0.50 22.76 H new ATOM 0 HD2BARG A 58 12.175 9.511 -0.076 0.50 22.76 H new ATOM 0 HD3AARG A 58 11.154 10.639 -0.767 0.50 22.76 H new ATOM 0 HD3BARG A 58 12.625 8.395 -1.069 0.50 22.76 H new ATOM 0 HE AARG A 58 11.464 9.201 1.358 0.50 20.33 H new ATOM 0 HE BARG A 58 10.727 10.274 -1.633 0.50 20.33 H new ATOM 0 HH11AARG A 58 13.442 9.621 -1.237 0.50 19.37 H new ATOM 0 HH11BARG A 58 12.724 7.993 -3.039 0.50 19.37 H new ATOM 0 HH12AARG A 58 14.723 9.365 -0.522 0.50 19.37 H new ATOM 0 HH12BARG A 58 12.299 8.289 -4.436 0.50 19.37 H new ATOM 0 HH21AARG A 58 13.487 8.952 2.460 0.50 17.98 H new ATOM 0 HH21BARG A 58 10.151 10.679 -3.696 0.50 17.98 H new ATOM 0 HH22AARG A 58 14.753 8.966 1.675 0.50 17.98 H new ATOM 0 HH22BARG A 58 10.745 9.915 -4.829 0.50 17.98 H new ATOM 504 N ILE A 59 9.315 5.356 0.833 1.00 18.72 N ATOM 505 CA ILE A 59 9.962 4.194 1.461 1.00 18.47 C ATOM 506 C ILE A 59 11.402 4.111 0.955 1.00 18.25 C ATOM 507 O ILE A 59 11.700 4.280 -0.250 1.00 18.14 O ATOM 508 CB ILE A 59 9.106 2.918 1.293 1.00 20.05 C ATOM 509 CG1 ILE A 59 9.724 1.777 2.120 1.00 19.07 C ATOM 510 CG2 ILE A 59 9.021 2.473 -0.173 1.00 19.04 C ATOM 511 CD1 ILE A 59 8.882 0.491 2.056 1.00 20.79 C ATOM 0 H AILE A 59 9.503 5.443 -0.002 0.50 18.72 H new ATOM 0 H BILE A 59 9.206 5.308 -0.019 0.50 18.72 H new ATOM 0 HA ILE A 59 10.019 4.294 2.424 1.00 18.47 H new ATOM 0 HB ILE A 59 8.209 3.123 1.601 1.00 20.05 H new ATOM 0 HG12 ILE A 59 10.619 1.592 1.795 1.00 19.07 H new ATOM 0 HG13 ILE A 59 9.810 2.059 3.044 1.00 19.07 H new ATOM 0 HG21 ILE A 59 8.478 1.672 -0.237 1.00 19.04 H new ATOM 0 HG22 ILE A 59 8.619 3.179 -0.703 1.00 19.04 H new ATOM 0 HG23 ILE A 59 9.912 2.286 -0.507 1.00 19.04 H new ATOM 0 HD11 ILE A 59 9.306 -0.200 2.589 1.00 20.79 H new ATOM 0 HD12 ILE A 59 7.994 0.668 2.404 1.00 20.79 H new ATOM 0 HD13 ILE A 59 8.815 0.193 1.135 1.00 20.79 H new ATOM 512 N LEU A 60 12.320 3.860 1.873 1.00 17.10 N ATOM 513 CA LEU A 60 13.693 3.931 1.666 1.00 15.84 C ATOM 514 C LEU A 60 14.481 2.744 2.232 1.00 18.45 C ATOM 515 O LEU A 60 14.349 2.423 3.426 1.00 17.58 O ATOM 516 CB LEU A 60 14.169 5.225 2.363 1.00 20.92 C ATOM 517 CG LEU A 60 15.662 5.419 2.271 1.00 21.24 C ATOM 518 CD1 LEU A 60 16.230 5.664 0.858 1.00 24.30 C ATOM 519 CD2 LEU A 60 16.077 6.550 3.226 1.00 20.89 C ATOM 0 H LEU A 60 12.115 3.631 2.676 1.00 17.10 H new ATOM 0 HA LEU A 60 13.856 3.919 0.710 1.00 15.84 H new ATOM 0 HB2 LEU A 60 13.722 5.987 1.962 1.00 20.92 H new ATOM 0 HB3 LEU A 60 13.906 5.201 3.296 1.00 20.92 H new ATOM 0 HG LEU A 60 16.052 4.570 2.530 1.00 21.24 H new ATOM 0 HD11 LEU A 60 17.192 5.775 0.911 1.00 24.30 H new ATOM 0 HD12 LEU A 60 16.023 4.905 0.290 1.00 24.30 H new ATOM 0 HD13 LEU A 60 15.832 6.466 0.484 1.00 24.30 H new ATOM 0 HD21 LEU A 60 17.037 6.682 3.174 1.00 20.89 H new ATOM 0 HD22 LEU A 60 15.624 7.370 2.973 1.00 20.89 H new ATOM 0 HD23 LEU A 60 15.833 6.313 4.134 1.00 20.89 H new ATOM 520 N ASN A 61 15.333 2.120 1.420 1.00 17.64 N ATOM 521 CA ASN A 61 16.311 1.181 1.899 1.00 17.74 C ATOM 522 C ASN A 61 17.562 1.981 2.267 1.00 21.75 C ATOM 523 O ASN A 61 18.168 2.565 1.364 1.00 21.22 O ATOM 524 CB ASN A 61 16.648 0.098 0.829 1.00 18.14 C ATOM 525 CG ASN A 61 17.690 -0.901 1.279 1.00 20.26 C ATOM 526 OD1 ASN A 61 18.513 -0.648 2.148 1.00 22.43 O ATOM 527 ND2 ASN A 61 17.692 -2.114 0.629 1.00 19.53 N ATOM 0 H ASN A 61 15.350 2.239 0.568 1.00 17.64 H new ATOM 0 HA ASN A 61 15.961 0.705 2.669 1.00 17.74 H new ATOM 0 HB2 ASN A 61 15.836 -0.378 0.596 1.00 18.14 H new ATOM 0 HB3 ASN A 61 16.961 0.538 0.023 1.00 18.14 H new ATOM 0 HD21 ASN A 61 18.279 -2.709 0.832 1.00 19.53 H new ATOM 0 HD22 ASN A 61 17.107 -2.277 0.020 1.00 19.53 H new ATOM 528 N ASN A 62 17.946 2.034 3.557 1.00 20.87 N ATOM 529 CA ASN A 62 19.106 2.871 4.006 1.00 21.08 C ATOM 530 C ASN A 62 20.348 2.036 4.287 1.00 22.10 C ATOM 531 O ASN A 62 21.409 2.470 4.859 1.00 23.14 O ATOM 532 CB ASN A 62 18.697 3.768 5.217 1.00 22.37 C ATOM 533 CG ASN A 62 18.430 2.932 6.493 1.00 25.25 C ATOM 534 OD1 ASN A 62 18.557 1.700 6.479 1.00 19.48 O ATOM 535 ND2 ASN A 62 18.083 3.605 7.591 1.00 27.60 N ATOM 0 H ASN A 62 17.558 1.600 4.190 1.00 20.87 H new ATOM 0 HA ASN A 62 19.350 3.460 3.275 1.00 21.08 H new ATOM 0 HB2 ASN A 62 19.401 4.412 5.394 1.00 22.37 H new ATOM 0 HB3 ASN A 62 17.901 4.274 4.990 1.00 22.37 H new ATOM 0 HD21 ASN A 62 17.938 3.183 8.326 1.00 27.60 H new ATOM 0 HD22 ASN A 62 18.004 4.461 7.564 1.00 27.60 H new ATOM 536 N GLY A 63 20.262 0.779 3.846 1.00 19.95 N ATOM 537 CA GLY A 63 21.286 -0.155 3.977 1.00 18.35 C ATOM 538 C GLY A 63 21.352 -0.857 5.336 1.00 19.12 C ATOM 539 O GLY A 63 22.229 -1.713 5.524 1.00 19.50 O ATOM 0 H GLY A 63 19.564 0.469 3.452 1.00 19.95 H new ATOM 0 HA2 GLY A 63 21.183 -0.827 3.286 1.00 18.35 H new ATOM 0 HA3 GLY A 63 22.133 0.289 3.816 1.00 18.35 H new ATOM 540 N HIS A 64 20.426 -0.490 6.245 1.00 18.82 N ATOM 541 CA HIS A 64 20.327 -1.158 7.588 1.00 16.97 C ATOM 542 C HIS A 64 18.950 -1.775 7.721 1.00 17.97 C ATOM 543 O HIS A 64 18.777 -2.872 8.302 1.00 19.34 O ATOM 544 CB HIS A 64 20.531 -0.115 8.683 1.00 18.25 C ATOM 545 CG HIS A 64 21.840 0.659 8.523 1.00 21.97 C ATOM 546 ND1 HIS A 64 23.052 0.058 8.616 1.00 23.35 N ATOM 547 CD2 HIS A 64 22.078 2.009 8.233 1.00 24.89 C ATOM 548 CE1 HIS A 64 24.039 0.997 8.458 1.00 23.16 C ATOM 549 NE2 HIS A 64 23.441 2.190 8.209 1.00 22.58 N ATOM 0 H HIS A 64 19.848 0.134 6.116 1.00 18.82 H new ATOM 0 HA HIS A 64 21.005 -1.847 7.672 1.00 16.97 H new ATOM 0 HB2 HIS A 64 19.788 0.508 8.674 1.00 18.25 H new ATOM 0 HB3 HIS A 64 20.522 -0.554 9.548 1.00 18.25 H new ATOM 0 HD2 HIS A 64 21.433 2.662 8.084 1.00 24.89 H new ATOM 0 HE1 HIS A 64 24.955 0.844 8.512 1.00 23.16 H new ATOM 0 HE2 HIS A 64 23.846 2.934 8.061 1.00 22.58 H new ATOM 550 N ALA A 65 17.967 -1.085 7.206 1.00 15.60 N ATOM 551 CA ALA A 65 16.564 -1.507 7.222 1.00 16.96 C ATOM 552 C ALA A 65 15.795 -0.808 6.082 1.00 15.22 C ATOM 553 O ALA A 65 16.434 -0.103 5.240 1.00 17.14 O ATOM 554 CB ALA A 65 15.915 -1.237 8.596 1.00 15.03 C ATOM 0 H ALA A 65 18.087 -0.326 6.819 1.00 15.60 H new ATOM 0 HA ALA A 65 16.524 -2.465 7.075 1.00 16.96 H new ATOM 0 HB1 ALA A 65 14.989 -1.525 8.579 1.00 15.03 H new ATOM 0 HB2 ALA A 65 16.393 -1.728 9.282 1.00 15.03 H new ATOM 0 HB3 ALA A 65 15.954 -0.288 8.792 1.00 15.03 H new ATOM 555 N PHE A 66 14.457 -0.941 6.033 1.00 14.91 N ATOM 556 CA PHE A 66 13.723 -0.028 5.198 1.00 16.16 C ATOM 557 C PHE A 66 12.870 0.893 6.064 1.00 16.98 C ATOM 558 O PHE A 66 12.311 0.467 7.091 1.00 16.40 O ATOM 559 CB PHE A 66 12.877 -0.776 4.112 1.00 16.94 C ATOM 560 CG PHE A 66 11.829 -1.684 4.676 1.00 16.38 C ATOM 561 CD1 PHE A 66 10.564 -1.167 5.028 1.00 16.29 C ATOM 562 CD2 PHE A 66 12.052 -3.080 4.827 1.00 17.95 C ATOM 563 CE1 PHE A 66 9.590 -1.959 5.609 1.00 18.22 C ATOM 564 CE2 PHE A 66 11.049 -3.887 5.414 1.00 16.95 C ATOM 565 CZ PHE A 66 9.812 -3.334 5.760 1.00 16.11 C ATOM 0 H PHE A 66 13.992 -1.526 6.458 1.00 14.91 H new ATOM 0 HA PHE A 66 14.357 0.519 4.708 1.00 16.16 H new ATOM 0 HB2 PHE A 66 12.449 -0.120 3.540 1.00 16.94 H new ATOM 0 HB3 PHE A 66 13.474 -1.295 3.551 1.00 16.94 H new ATOM 0 HD1 PHE A 66 10.380 -0.270 4.865 1.00 16.29 H new ATOM 0 HD2 PHE A 66 12.852 -3.460 4.542 1.00 17.95 H new ATOM 0 HE1 PHE A 66 8.791 -1.580 5.898 1.00 18.22 H new ATOM 0 HE2 PHE A 66 11.213 -4.789 5.570 1.00 16.95 H new ATOM 0 HZ PHE A 66 9.136 -3.880 6.091 1.00 16.11 H new ATOM 566 N ASN A 67 12.753 2.163 5.668 1.00 17.02 N ATOM 567 CA ASN A 67 12.013 3.101 6.466 1.00 18.59 C ATOM 568 C ASN A 67 10.834 3.613 5.671 1.00 16.42 C ATOM 569 O ASN A 67 11.037 4.061 4.484 1.00 21.24 O ATOM 570 CB ASN A 67 12.874 4.350 6.807 1.00 21.23 C ATOM 571 CG ASN A 67 14.026 4.110 7.758 1.00 25.54 C ATOM 572 OD1 ASN A 67 14.115 3.134 8.509 1.00 21.17 O ATOM 573 ND2 ASN A 67 14.938 5.101 7.767 1.00 27.69 N ATOM 0 H ASN A 67 13.095 2.485 4.948 1.00 17.02 H new ATOM 0 HA ASN A 67 11.742 2.641 7.276 1.00 18.59 H new ATOM 0 HB2 ASN A 67 13.228 4.714 5.981 1.00 21.23 H new ATOM 0 HB3 ASN A 67 12.295 5.027 7.190 1.00 21.23 H new ATOM 0 HD21 ASN A 67 15.607 5.065 8.307 1.00 27.69 H new ATOM 0 HD22 ASN A 67 14.852 5.770 7.233 1.00 27.69 H new ATOM 574 N VAL A 68 9.644 3.544 6.253 1.00 16.03 N ATOM 575 CA VAL A 68 8.470 4.217 5.690 1.00 15.78 C ATOM 576 C VAL A 68 8.399 5.600 6.388 1.00 18.01 C ATOM 577 O VAL A 68 8.161 5.660 7.607 1.00 15.17 O ATOM 578 CB VAL A 68 7.187 3.413 5.824 1.00 16.98 C ATOM 579 CG1 VAL A 68 6.021 4.286 5.343 1.00 16.92 C ATOM 580 CG2 VAL A 68 7.227 2.116 4.980 1.00 17.61 C ATOM 0 H VAL A 68 9.490 3.111 6.980 1.00 16.03 H new ATOM 0 HA VAL A 68 8.563 4.317 4.730 1.00 15.78 H new ATOM 0 HB VAL A 68 7.079 3.158 6.754 1.00 16.98 H new ATOM 0 HG11 VAL A 68 5.191 3.790 5.421 1.00 16.92 H new ATOM 0 HG12 VAL A 68 5.970 5.087 5.887 1.00 16.92 H new ATOM 0 HG13 VAL A 68 6.163 4.534 4.416 1.00 16.92 H new ATOM 0 HG21 VAL A 68 6.394 1.632 5.091 1.00 17.61 H new ATOM 0 HG22 VAL A 68 7.347 2.342 4.044 1.00 17.61 H new ATOM 0 HG23 VAL A 68 7.965 1.560 5.275 1.00 17.61 H new ATOM 581 N GLU A 69 8.556 6.689 5.638 1.00 19.60 N ATOM 582 CA GLU A 69 8.546 8.040 6.172 1.00 20.61 C ATOM 583 C GLU A 69 7.244 8.734 5.983 1.00 21.43 C ATOM 584 O GLU A 69 6.537 8.528 4.966 1.00 25.65 O ATOM 585 CB GLU A 69 9.537 8.866 5.430 1.00 27.87 C ATOM 586 CG GLU A 69 10.925 8.296 5.479 1.00 30.36 C ATOM 587 CD GLU A 69 11.704 8.619 4.220 1.00 38.69 C ATOM 588 OE1 GLU A 69 11.046 9.169 3.258 1.00 38.23 O ATOM 589 OE2 GLU A 69 12.946 8.329 4.180 1.00 40.96 O ATOM 0 H GLU A 69 8.674 6.658 4.787 1.00 19.60 H new ATOM 0 HA GLU A 69 8.739 7.953 7.119 1.00 20.61 H new ATOM 0 HB2 GLU A 69 9.257 8.945 4.505 1.00 27.87 H new ATOM 0 HB3 GLU A 69 9.547 9.762 5.801 1.00 27.87 H new ATOM 0 HG2 GLU A 69 11.394 8.650 6.251 1.00 30.36 H new ATOM 0 HG3 GLU A 69 10.877 7.334 5.593 1.00 30.36 H new ATOM 590 N PHE A 70 6.949 9.599 6.950 1.00 16.48 N ATOM 591 CA PHE A 70 5.702 10.339 6.988 1.00 16.08 C ATOM 592 C PHE A 70 5.970 11.825 6.866 1.00 17.31 C ATOM 593 O PHE A 70 6.988 12.277 7.233 1.00 17.30 O ATOM 594 CB PHE A 70 4.907 10.019 8.290 1.00 15.31 C ATOM 595 CG PHE A 70 4.289 8.621 8.250 1.00 14.73 C ATOM 596 CD1 PHE A 70 5.091 7.510 8.513 1.00 16.35 C ATOM 597 CD2 PHE A 70 2.968 8.415 7.899 1.00 14.47 C ATOM 598 CE1 PHE A 70 4.582 6.229 8.379 1.00 15.89 C ATOM 599 CE2 PHE A 70 2.404 7.132 7.814 1.00 15.27 C ATOM 600 CZ PHE A 70 3.259 6.032 8.049 1.00 15.64 C ATOM 0 H PHE A 70 7.476 9.771 7.607 1.00 16.48 H new ATOM 0 HA PHE A 70 5.157 10.064 6.234 1.00 16.08 H new ATOM 0 HB2 PHE A 70 5.499 10.089 9.056 1.00 15.31 H new ATOM 0 HB3 PHE A 70 4.206 10.679 8.411 1.00 15.31 H new ATOM 0 HD1 PHE A 70 5.974 7.631 8.780 1.00 16.35 H new ATOM 0 HD2 PHE A 70 2.434 9.153 7.712 1.00 14.47 H new ATOM 0 HE1 PHE A 70 5.138 5.496 8.513 1.00 15.89 H new ATOM 0 HE2 PHE A 70 1.504 7.011 7.611 1.00 15.27 H new ATOM 0 HZ PHE A 70 2.925 5.167 7.980 1.00 15.64 H new ATOM 601 N ASP A 71 4.982 12.529 6.320 1.00 19.10 N ATOM 602 CA ASP A 71 4.935 13.994 6.396 1.00 18.50 C ATOM 603 C ASP A 71 4.475 14.363 7.821 1.00 17.32 C ATOM 604 O ASP A 71 3.300 14.127 8.222 1.00 18.90 O ATOM 605 CB ASP A 71 3.985 14.466 5.340 1.00 21.22 C ATOM 606 CG ASP A 71 3.712 15.979 5.416 1.00 27.14 C ATOM 607 OD1 ASP A 71 4.261 16.671 6.272 1.00 21.92 O ATOM 608 OD2 ASP A 71 2.927 16.465 4.575 1.00 34.03 O ATOM 0 H ASP A 71 4.322 12.176 5.896 1.00 19.10 H new ATOM 0 HA ASP A 71 5.794 14.417 6.237 1.00 18.50 H new ATOM 0 HB2 ASP A 71 4.346 14.250 4.466 1.00 21.22 H new ATOM 0 HB3 ASP A 71 3.147 13.986 5.427 1.00 21.22 H new ATOM 609 N ASP A 72 5.424 14.907 8.598 1.00 16.48 N ATOM 610 CA ASP A 72 5.264 15.307 9.995 1.00 16.00 C ATOM 611 C ASP A 72 5.306 16.830 10.126 1.00 17.29 C ATOM 612 O ASP A 72 5.759 17.335 11.149 1.00 17.76 O ATOM 613 CB ASP A 72 6.383 14.648 10.841 1.00 17.87 C ATOM 614 CG ASP A 72 7.776 15.151 10.507 1.00 19.87 C ATOM 615 OD1 ASP A 72 8.036 15.784 9.437 1.00 19.06 O ATOM 616 OD2 ASP A 72 8.702 14.888 11.278 1.00 19.62 O ATOM 0 H ASP A 72 6.218 15.058 8.303 1.00 16.48 H new ATOM 0 HA ASP A 72 4.401 15.008 10.321 1.00 16.00 H new ATOM 0 HB2 ASP A 72 6.206 14.811 11.781 1.00 17.87 H new ATOM 0 HB3 ASP A 72 6.354 13.687 10.709 1.00 17.87 H new ATOM 617 N SER A 73 4.897 17.520 9.064 1.00 18.21 N ATOM 618 CA SER A 73 4.871 19.008 9.080 1.00 21.00 C ATOM 619 C SER A 73 3.591 19.580 9.704 1.00 23.24 C ATOM 620 O SER A 73 3.501 20.804 9.964 1.00 18.08 O ATOM 621 CB SER A 73 5.140 19.566 7.678 1.00 20.79 C ATOM 622 OG SER A 73 4.023 19.355 6.815 1.00 22.35 O ATOM 0 H SER A 73 4.631 17.164 8.328 1.00 18.21 H new ATOM 0 HA SER A 73 5.589 19.303 9.661 1.00 21.00 H new ATOM 0 HB2 SER A 73 5.332 20.515 7.736 1.00 20.79 H new ATOM 0 HB3 SER A 73 5.927 19.140 7.303 1.00 20.79 H new ATOM 0 HG SER A 73 3.990 18.546 6.592 1.00 22.35 H new ATOM 623 N GLN A 74 2.599 18.725 9.965 1.00 22.58 N ATOM 624 CA GLN A 74 1.359 19.178 10.622 1.00 26.43 C ATOM 625 C GLN A 74 1.081 18.237 11.762 1.00 26.69 C ATOM 626 O GLN A 74 1.675 17.144 11.853 1.00 20.61 O ATOM 627 CB GLN A 74 0.165 19.179 9.646 1.00 25.12 C ATOM 628 CG GLN A 74 0.225 20.277 8.566 1.00 33.70 C ATOM 629 CD GLN A 74 -0.725 19.998 7.403 1.00 35.59 C ATOM 630 OE1 GLN A 74 -1.893 19.678 7.618 1.00 40.42 O ATOM 631 NE2 GLN A 74 -0.225 20.102 6.174 1.00 39.87 N ATOM 0 H GLN A 74 2.619 17.887 9.774 1.00 22.58 H new ATOM 0 HA GLN A 74 1.474 20.089 10.935 1.00 26.43 H new ATOM 0 HB2 GLN A 74 0.118 18.314 9.210 1.00 25.12 H new ATOM 0 HB3 GLN A 74 -0.654 19.286 10.155 1.00 25.12 H new ATOM 0 HG2 GLN A 74 0.002 21.133 8.965 1.00 33.70 H new ATOM 0 HG3 GLN A 74 1.132 20.348 8.230 1.00 33.70 H new ATOM 0 HE21 GLN A 74 0.597 20.328 6.062 1.00 39.87 H new ATOM 0 HE22 GLN A 74 -0.724 19.943 5.492 1.00 39.87 H new ATOM 632 N ASP A 75 0.139 18.647 12.597 1.00 25.26 N ATOM 633 CA ASP A 75 -0.263 17.893 13.754 1.00 27.58 C ATOM 634 C ASP A 75 -1.194 16.739 13.286 1.00 28.59 C ATOM 635 O ASP A 75 -2.422 16.851 13.322 1.00 30.05 O ATOM 636 CB ASP A 75 -0.919 18.915 14.703 1.00 31.33 C ATOM 637 CG ASP A 75 -1.663 18.294 15.852 1.00 38.83 C ATOM 638 OD1 ASP A 75 -1.294 17.166 16.283 1.00 37.83 O ATOM 639 OD2 ASP A 75 -2.626 18.970 16.319 1.00 36.02 O ATOM 0 H ASP A 75 -0.289 19.387 12.499 1.00 25.26 H new ATOM 0 HA ASP A 75 0.462 17.460 14.231 1.00 27.58 H new ATOM 0 HB2 ASP A 75 -0.232 19.503 15.055 1.00 31.33 H new ATOM 0 HB3 ASP A 75 -1.532 19.468 14.194 1.00 31.33 H new ATOM 640 N LYS A 76 -0.588 15.655 12.818 1.00 24.04 N ATOM 641 CA LYS A 76 -1.283 14.453 12.327 1.00 27.01 C ATOM 642 C LYS A 76 -0.510 13.255 12.863 1.00 28.47 C ATOM 643 O LYS A 76 0.721 13.350 13.083 1.00 31.20 O ATOM 644 CB LYS A 76 -1.188 14.365 10.816 1.00 26.43 C ATOM 645 CG LYS A 76 -2.146 15.309 10.127 1.00 30.02 C ATOM 646 CD LYS A 76 -1.709 15.549 8.718 1.00 32.07 C ATOM 647 CE LYS A 76 -2.866 16.180 7.955 1.00 36.57 C ATOM 648 NZ LYS A 76 -2.423 16.282 6.541 1.00 36.28 N ATOM 0 H LYS A 76 0.268 15.589 12.773 1.00 24.04 H new ATOM 0 HA LYS A 76 -2.212 14.478 12.604 1.00 27.01 H new ATOM 0 HB2 LYS A 76 -0.281 14.568 10.538 1.00 26.43 H new ATOM 0 HB3 LYS A 76 -1.374 13.456 10.534 1.00 26.43 H new ATOM 0 HG2 LYS A 76 -3.041 14.936 10.136 1.00 30.02 H new ATOM 0 HG3 LYS A 76 -2.185 16.150 10.609 1.00 30.02 H new ATOM 0 HD2 LYS A 76 -0.935 16.133 8.700 1.00 32.07 H new ATOM 0 HD3 LYS A 76 -1.445 14.714 8.300 1.00 32.07 H new ATOM 0 HE2 LYS A 76 -3.667 15.637 8.029 1.00 36.57 H new ATOM 0 HE3 LYS A 76 -3.082 17.055 8.314 1.00 36.57 H new ATOM 0 HZ1 LYS A 76 -2.745 17.030 6.182 1.00 36.28 H new ATOM 0 HZ2 LYS A 76 -1.534 16.297 6.509 1.00 36.28 H new ATOM 0 HZ3 LYS A 76 -2.724 15.580 6.084 1.00 36.28 H new ATOM 649 N ALA A 77 -1.175 12.140 13.059 1.00 25.44 N ATOM 650 CA ALA A 77 -0.478 10.917 13.554 1.00 23.24 C ATOM 651 C ALA A 77 0.283 11.154 14.852 1.00 21.65 C ATOM 652 O ALA A 77 1.512 11.325 14.819 1.00 24.19 O ATOM 653 CB ALA A 77 0.447 10.307 12.490 1.00 23.39 C ATOM 0 H ALA A 77 -2.019 12.045 12.921 1.00 25.44 H new ATOM 0 HA ALA A 77 -1.181 10.277 13.745 1.00 23.24 H new ATOM 0 HB1 ALA A 77 0.879 9.517 12.851 1.00 23.39 H new ATOM 0 HB2 ALA A 77 -0.075 10.062 11.710 1.00 23.39 H new ATOM 0 HB3 ALA A 77 1.121 10.956 12.236 1.00 23.39 H new ATOM 654 N VAL A 78 -0.420 11.155 15.965 1.00 19.53 N ATOM 655 CA VAL A 78 0.214 11.476 17.262 1.00 20.82 C ATOM 656 C VAL A 78 0.095 10.295 18.243 1.00 19.43 C ATOM 657 O VAL A 78 -0.911 9.556 18.253 1.00 18.93 O ATOM 658 CB VAL A 78 -0.368 12.778 17.874 1.00 25.00 C ATOM 659 CG1 VAL A 78 -0.061 13.967 16.959 1.00 24.72 C ATOM 660 CG2 VAL A 78 -1.840 12.636 18.005 1.00 26.41 C ATOM 0 H VAL A 78 -1.260 10.976 16.009 1.00 19.53 H new ATOM 0 HA VAL A 78 1.157 11.631 17.097 1.00 20.82 H new ATOM 0 HB VAL A 78 0.033 12.930 18.744 1.00 25.00 H new ATOM 0 HG11 VAL A 78 -0.427 14.777 17.347 1.00 24.72 H new ATOM 0 HG12 VAL A 78 0.900 14.061 16.862 1.00 24.72 H new ATOM 0 HG13 VAL A 78 -0.461 13.817 16.088 1.00 24.72 H new ATOM 0 HG21 VAL A 78 -2.211 13.447 18.387 1.00 26.41 H new ATOM 0 HG22 VAL A 78 -2.230 12.484 17.130 1.00 26.41 H new ATOM 0 HG23 VAL A 78 -2.043 11.884 18.584 1.00 26.41 H new ATOM 661 N LEU A 79 1.155 10.126 19.046 1.00 17.30 N ATOM 662 CA LEU A 79 1.126 9.258 20.180 1.00 16.44 C ATOM 663 C LEU A 79 1.154 10.131 21.415 1.00 17.70 C ATOM 664 O LEU A 79 1.898 11.131 21.472 1.00 18.33 O ATOM 665 CB LEU A 79 2.341 8.346 20.096 1.00 15.43 C ATOM 666 CG LEU A 79 2.533 7.321 21.161 1.00 17.73 C ATOM 667 CD1 LEU A 79 1.505 6.226 20.946 1.00 22.50 C ATOM 668 CD2 LEU A 79 3.928 6.811 20.951 1.00 15.45 C ATOM 0 H LEU A 79 1.908 10.525 18.929 1.00 17.30 H new ATOM 0 HA LEU A 79 0.331 8.702 20.211 1.00 16.44 H new ATOM 0 HB2 LEU A 79 2.305 7.884 19.244 1.00 15.43 H new ATOM 0 HB3 LEU A 79 3.132 8.908 20.081 1.00 15.43 H new ATOM 0 HG LEU A 79 2.421 7.660 22.063 1.00 17.73 H new ATOM 0 HD11 LEU A 79 1.610 5.545 21.629 1.00 22.50 H new ATOM 0 HD12 LEU A 79 0.613 6.604 21.001 1.00 22.50 H new ATOM 0 HD13 LEU A 79 1.634 5.828 20.071 1.00 22.50 H new ATOM 0 HD21 LEU A 79 4.128 6.132 21.615 1.00 15.45 H new ATOM 0 HD22 LEU A 79 4.002 6.427 20.064 1.00 15.45 H new ATOM 0 HD23 LEU A 79 4.557 7.544 21.039 1.00 15.45 H new ATOM 669 N LYS A 80 0.287 9.845 22.374 1.00 16.03 N ATOM 670 CA LYS A 80 0.319 10.525 23.645 1.00 17.97 C ATOM 671 C LYS A 80 -0.262 9.587 24.729 1.00 18.15 C ATOM 672 O LYS A 80 -0.614 8.456 24.408 1.00 17.44 O ATOM 673 CB LYS A 80 -0.455 11.881 23.573 1.00 21.40 C ATOM 674 CG LYS A 80 -1.981 11.704 23.505 1.00 26.82 C ATOM 675 CD LYS A 80 -2.746 13.026 23.332 1.00 30.09 C ATOM 676 CE LYS A 80 -2.549 13.537 21.923 1.00 38.79 C ATOM 677 NZ LYS A 80 -3.608 13.126 20.928 1.00 48.47 N ATOM 0 H LYS A 80 -0.332 9.253 22.302 1.00 16.03 H new ATOM 0 HA LYS A 80 1.236 10.741 23.878 1.00 17.97 H new ATOM 0 HB2 LYS A 80 -0.232 12.416 24.351 1.00 21.40 H new ATOM 0 HB3 LYS A 80 -0.157 12.376 22.793 1.00 21.40 H new ATOM 0 HG2 LYS A 80 -2.198 11.114 22.766 1.00 26.82 H new ATOM 0 HG3 LYS A 80 -2.285 11.267 24.316 1.00 26.82 H new ATOM 0 HD2 LYS A 80 -3.690 12.891 23.509 1.00 30.09 H new ATOM 0 HD3 LYS A 80 -2.428 13.682 23.972 1.00 30.09 H new ATOM 0 HE2 LYS A 80 -2.511 14.506 21.949 1.00 38.79 H new ATOM 0 HE3 LYS A 80 -1.688 13.228 21.601 1.00 38.79 H new ATOM 0 HZ1 LYS A 80 -3.561 13.651 20.211 1.00 48.47 H new ATOM 0 HZ2 LYS A 80 -3.475 12.280 20.685 1.00 48.47 H new ATOM 0 HZ3 LYS A 80 -4.412 13.204 21.301 1.00 48.47 H new ATOM 678 N GLY A 81 -0.442 10.074 25.955 1.00 18.83 N ATOM 679 CA GLY A 81 -0.976 9.251 27.033 1.00 21.16 C ATOM 680 C GLY A 81 0.058 8.219 27.407 1.00 23.62 C ATOM 681 O GLY A 81 1.248 8.452 27.244 1.00 19.71 O ATOM 0 H GLY A 81 -0.259 10.883 26.182 1.00 18.83 H new ATOM 0 HA2 GLY A 81 -1.195 9.802 27.801 1.00 21.16 H new ATOM 0 HA3 GLY A 81 -1.797 8.818 26.751 1.00 21.16 H new ATOM 682 N GLY A 82 -0.385 7.098 27.966 1.00 25.17 N ATOM 683 CA GLY A 82 0.571 6.157 28.533 1.00 25.00 C ATOM 684 C GLY A 82 1.529 6.799 29.490 1.00 23.55 C ATOM 685 O GLY A 82 1.130 7.570 30.390 1.00 23.02 O ATOM 0 H GLY A 82 -1.211 6.868 28.027 1.00 25.17 H new ATOM 0 HA2 GLY A 82 0.089 5.451 28.991 1.00 25.00 H new ATOM 0 HA3 GLY A 82 1.071 5.739 27.814 1.00 25.00 H new ATOM 686 N PRO A 83 2.866 6.574 29.284 1.00 19.44 N ATOM 687 CA PRO A 83 3.815 7.189 30.151 1.00 18.31 C ATOM 688 C PRO A 83 4.270 8.586 29.695 1.00 20.86 C ATOM 689 O PRO A 83 5.107 9.196 30.334 1.00 23.56 O ATOM 690 CB PRO A 83 5.058 6.274 29.988 1.00 21.47 C ATOM 691 CG PRO A 83 4.998 5.942 28.479 1.00 19.00 C ATOM 692 CD PRO A 83 3.499 5.698 28.249 1.00 18.99 C ATOM 0 HA PRO A 83 3.436 7.288 31.039 1.00 18.31 H new ATOM 0 HB2 PRO A 83 5.880 6.728 30.230 1.00 21.47 H new ATOM 0 HB3 PRO A 83 5.001 5.478 30.540 1.00 21.47 H new ATOM 0 HG2 PRO A 83 5.332 6.673 27.935 1.00 19.00 H new ATOM 0 HG3 PRO A 83 5.529 5.160 28.260 1.00 19.00 H new ATOM 0 HD2 PRO A 83 3.226 5.945 27.351 1.00 18.99 H new ATOM 0 HD3 PRO A 83 3.262 4.765 28.371 1.00 18.99 H new ATOM 693 N LEU A 84 3.684 9.111 28.643 1.00 19.73 N ATOM 694 CA LEU A 84 4.285 10.302 27.991 1.00 18.41 C ATOM 695 C LEU A 84 3.667 11.562 28.542 1.00 20.83 C ATOM 696 O LEU A 84 2.482 11.554 28.841 1.00 19.85 O ATOM 697 CB LEU A 84 3.989 10.245 26.523 1.00 17.08 C ATOM 698 CG LEU A 84 4.528 8.975 25.832 1.00 17.33 C ATOM 699 CD1 LEU A 84 4.101 8.875 24.379 1.00 14.46 C ATOM 700 CD2 LEU A 84 6.046 8.935 25.877 1.00 14.99 C ATOM 0 H LEU A 84 2.959 8.819 28.284 1.00 19.73 H new ATOM 0 HA LEU A 84 5.241 10.306 28.156 1.00 18.41 H new ATOM 0 HB2 LEU A 84 3.029 10.292 26.392 1.00 17.08 H new ATOM 0 HB3 LEU A 84 4.373 11.025 26.093 1.00 17.08 H new ATOM 0 HG LEU A 84 4.151 8.228 26.323 1.00 17.33 H new ATOM 0 HD11 LEU A 84 4.463 8.063 23.990 1.00 14.46 H new ATOM 0 HD12 LEU A 84 3.133 8.854 24.327 1.00 14.46 H new ATOM 0 HD13 LEU A 84 4.434 9.644 23.890 1.00 14.46 H new ATOM 0 HD21 LEU A 84 6.362 8.130 25.438 1.00 14.99 H new ATOM 0 HD22 LEU A 84 6.404 9.713 25.422 1.00 14.99 H new ATOM 0 HD23 LEU A 84 6.343 8.937 26.801 1.00 14.99 H new ATOM 701 N AASP A 85 4.431 12.644 28.643 0.50 24.57 N ATOM 702 N BASP A 85 4.483 12.615 28.578 0.50 20.12 N ATOM 703 CA AASP A 85 3.822 13.877 29.196 0.50 27.76 C ATOM 704 CA BASP A 85 4.006 13.970 28.902 0.50 20.63 C ATOM 705 C AASP A 85 3.436 14.837 28.099 0.50 28.84 C ATOM 706 C BASP A 85 3.955 14.689 27.573 0.50 20.52 C ATOM 707 O AASP A 85 2.878 15.896 28.374 0.50 30.31 O ATOM 708 O BASP A 85 4.903 14.641 26.764 0.50 19.81 O ATOM 709 CB AASP A 85 4.711 14.579 30.227 0.50 33.02 C ATOM 710 CB BASP A 85 4.938 14.687 29.899 0.50 22.39 C ATOM 711 CG AASP A 85 3.935 14.956 31.502 0.50 38.41 C ATOM 712 CG BASP A 85 4.902 14.051 31.316 0.50 24.35 C ATOM 713 OD1AASP A 85 2.855 14.350 31.730 0.50 37.82 O ATOM 714 OD1BASP A 85 3.851 13.471 31.712 0.50 26.35 O ATOM 715 OD2AASP A 85 4.401 15.844 32.266 0.50 40.33 O ATOM 716 OD2BASP A 85 5.934 14.112 32.022 0.50 24.15 O ATOM 0 H AASP A 85 5.258 12.699 28.415 0.50 20.12 H new ATOM 0 H BASP A 85 5.326 12.569 28.417 0.50 20.12 H new ATOM 0 HA AASP A 85 3.021 13.590 29.662 0.50 20.63 H new ATOM 0 HA BASP A 85 3.141 13.950 29.340 0.50 20.63 H new ATOM 0 HB2AASP A 85 5.452 13.999 30.461 0.50 22.39 H new ATOM 0 HB2BASP A 85 5.847 14.663 29.561 0.50 22.39 H new ATOM 0 HB3AASP A 85 5.091 15.380 29.833 0.50 22.39 H new ATOM 0 HB3BASP A 85 4.683 15.621 29.961 0.50 22.39 H new ATOM 717 N AGLY A 86 3.738 14.490 26.853 0.50 29.62 N ATOM 718 N BGLY A 86 2.831 15.351 27.314 0.50 19.01 N ATOM 719 CA AGLY A 86 3.399 15.389 25.767 0.50 26.67 C ATOM 720 CA BGLY A 86 2.702 16.083 26.072 0.50 17.46 C ATOM 721 C AGLY A 86 2.891 14.685 24.522 0.50 27.12 C ATOM 722 C BGLY A 86 2.410 15.130 24.930 0.50 18.85 C ATOM 723 O AGLY A 86 2.595 13.487 24.552 0.50 26.85 O ATOM 724 O BGLY A 86 1.679 14.140 25.081 0.50 17.23 O ATOM 0 H AGLY A 86 4.128 13.759 26.622 0.50 19.01 H new ATOM 0 H BGLY A 86 2.148 15.386 27.835 0.50 19.01 H new ATOM 0 HA2AGLY A 86 2.722 16.012 26.074 0.50 17.46 H new ATOM 0 HA2BGLY A 86 1.989 16.737 26.147 0.50 17.46 H new ATOM 0 HA3AGLY A 86 4.182 15.912 25.535 0.50 17.46 H new ATOM 0 HA3BGLY A 86 3.519 16.574 25.892 0.50 17.46 H new ATOM 725 N ATHR A 87 2.756 15.462 23.443 0.50 24.60 N ATOM 726 N BTHR A 87 3.007 15.412 23.770 0.50 18.29 N ATOM 727 CA ATHR A 87 2.361 14.954 22.142 0.50 20.86 C ATOM 728 CA BTHR A 87 2.582 14.746 22.542 0.50 16.53 C ATOM 729 C ATHR A 87 3.595 14.609 21.319 0.50 18.62 C ATOM 730 C BTHR A 87 3.734 14.504 21.570 0.50 16.38 C ATOM 731 O ATHR A 87 4.464 15.439 21.104 0.50 17.38 O ATOM 732 O BTHR A 87 4.642 15.316 21.451 0.50 14.43 O ATOM 733 CB ATHR A 87 1.515 15.985 21.351 0.50 24.56 C ATOM 734 CB BTHR A 87 1.486 15.552 21.857 0.50 18.85 C ATOM 735 OG1ATHR A 87 0.228 16.151 21.979 0.50 25.58 O ATOM 736 OG1BTHR A 87 2.032 16.803 21.396 0.50 16.77 O ATOM 737 CG2ATHR A 87 1.325 15.504 19.921 0.50 23.67 C ATOM 738 CG2BTHR A 87 0.333 15.792 22.856 0.50 17.20 C ATOM 0 H ATHR A 87 2.895 16.311 23.454 0.50 18.29 H new ATOM 0 H BTHR A 87 3.649 15.976 23.675 0.50 18.29 H new ATOM 0 HA ATHR A 87 1.822 14.163 22.297 0.50 16.53 H new ATOM 0 HA BTHR A 87 2.239 13.876 22.800 0.50 16.53 H new ATOM 0 HB ATHR A 87 1.979 16.837 21.346 0.50 18.85 H new ATOM 0 HB BTHR A 87 1.140 15.065 21.093 0.50 18.85 H new ATOM 0 HG1ATHR A 87 -0.225 16.711 21.547 0.50 16.77 H new ATOM 0 HG1BTHR A 87 1.673 17.013 20.666 0.50 16.77 H new ATOM 0 HG21ATHR A 87 0.796 16.151 19.429 0.50 17.20 H new ATOM 0 HG21BTHR A 87 -0.368 16.305 22.424 0.50 17.20 H new ATOM 0 HG22ATHR A 87 2.191 15.405 19.495 0.50 17.20 H new ATOM 0 HG22BTHR A 87 -0.025 14.939 23.149 0.50 17.20 H new ATOM 0 HG23ATHR A 87 0.867 14.649 19.925 0.50 17.20 H new ATOM 0 HG23BTHR A 87 0.666 16.283 23.623 0.50 17.20 H new ATOM 739 N TYR A 88 3.702 13.352 20.909 1.00 15.27 N ATOM 740 CA TYR A 88 4.803 12.940 20.033 1.00 13.90 C ATOM 741 C TYR A 88 4.263 12.637 18.608 1.00 15.33 C ATOM 742 O TYR A 88 3.169 11.999 18.469 1.00 18.59 O ATOM 743 CB TYR A 88 5.446 11.689 20.584 1.00 12.36 C ATOM 744 CG TYR A 88 6.208 11.864 21.905 1.00 12.79 C ATOM 745 CD1 TYR A 88 5.575 12.258 23.099 1.00 12.65 C ATOM 746 CD2 TYR A 88 7.629 11.710 21.914 1.00 12.55 C ATOM 747 CE1 TYR A 88 6.337 12.417 24.307 1.00 11.98 C ATOM 748 CE2 TYR A 88 8.355 11.857 23.082 1.00 12.27 C ATOM 749 CZ TYR A 88 7.726 12.183 24.267 1.00 12.86 C ATOM 750 OH TYR A 88 8.451 12.268 25.394 1.00 14.15 O ATOM 0 H ATYR A 88 3.155 12.723 21.122 0.50 15.27 H new ATOM 0 H BTYR A 88 3.052 12.791 20.952 0.50 15.27 H new ATOM 0 HA TYR A 88 5.454 13.658 19.989 1.00 13.90 H new ATOM 0 HB2 TYR A 88 4.756 11.020 20.713 1.00 12.36 H new ATOM 0 HB3 TYR A 88 6.059 11.340 19.919 1.00 12.36 H new ATOM 0 HD1 TYR A 88 4.659 12.416 23.106 1.00 12.65 H new ATOM 0 HD2 TYR A 88 8.072 11.508 21.122 1.00 12.55 H new ATOM 0 HE1 TYR A 88 5.921 12.669 25.100 1.00 11.98 H new ATOM 0 HE2 TYR A 88 9.277 11.735 23.069 1.00 12.27 H new ATOM 0 HH TYR A 88 9.164 12.684 25.238 1.00 14.15 H new ATOM 751 N ARG A 89 4.947 13.123 17.590 1.00 11.99 N ATOM 752 CA ARG A 89 4.444 13.090 16.226 1.00 12.25 C ATOM 753 C ARG A 89 5.139 11.947 15.430 1.00 11.13 C ATOM 754 O ARG A 89 6.367 11.816 15.447 1.00 10.93 O ATOM 755 CB ARG A 89 4.554 14.485 15.598 1.00 15.46 C ATOM 756 CG ARG A 89 3.949 14.552 14.203 1.00 17.13 C ATOM 757 CD ARG A 89 4.089 15.990 13.691 1.00 18.77 C ATOM 758 NE ARG A 89 3.403 16.942 14.558 1.00 19.99 N ATOM 759 CZ ARG A 89 3.514 18.260 14.353 1.00 22.70 C ATOM 760 NH1 ARG A 89 4.260 18.695 13.323 1.00 21.91 N ATOM 761 NH2 ARG A 89 2.927 19.139 15.171 1.00 21.59 N ATOM 0 H ARG A 89 5.723 13.485 17.668 1.00 11.99 H new ATOM 0 HA ARG A 89 3.499 12.873 16.207 1.00 12.25 H new ATOM 0 HB2 ARG A 89 4.109 15.129 16.171 1.00 15.46 H new ATOM 0 HB3 ARG A 89 5.488 14.743 15.554 1.00 15.46 H new ATOM 0 HG2 ARG A 89 4.402 13.935 13.607 1.00 17.13 H new ATOM 0 HG3 ARG A 89 3.015 14.290 14.226 1.00 17.13 H new ATOM 0 HD2 ARG A 89 5.029 16.223 13.634 1.00 18.77 H new ATOM 0 HD3 ARG A 89 3.727 16.051 12.793 1.00 18.77 H new ATOM 0 HE ARG A 89 2.921 16.653 15.209 1.00 19.99 H new ATOM 0 HH11 ARG A 89 4.656 18.130 12.810 1.00 21.91 H new ATOM 0 HH12 ARG A 89 4.342 19.539 13.177 1.00 21.91 H new ATOM 0 HH21 ARG A 89 2.468 18.861 15.843 1.00 21.59 H new ATOM 0 HH22 ARG A 89 3.008 19.983 15.025 1.00 21.59 H new ATOM 762 N LEU A 90 4.353 11.083 14.741 1.00 12.12 N ATOM 763 CA LEU A 90 4.997 10.029 13.905 1.00 11.32 C ATOM 764 C LEU A 90 5.874 10.573 12.778 1.00 12.22 C ATOM 765 O LEU A 90 5.407 11.433 11.963 1.00 12.70 O ATOM 766 CB LEU A 90 3.866 9.126 13.308 1.00 12.84 C ATOM 767 CG LEU A 90 4.326 7.994 12.401 1.00 13.02 C ATOM 768 CD1 LEU A 90 5.081 6.918 13.170 1.00 13.50 C ATOM 769 CD2 LEU A 90 3.088 7.311 11.824 1.00 14.09 C ATOM 0 H LEU A 90 3.493 11.085 14.740 1.00 12.12 H new ATOM 0 HA LEU A 90 5.596 9.528 14.481 1.00 11.32 H new ATOM 0 HB2 LEU A 90 3.361 8.743 14.042 1.00 12.84 H new ATOM 0 HB3 LEU A 90 3.256 9.690 12.807 1.00 12.84 H new ATOM 0 HG LEU A 90 4.904 8.378 11.723 1.00 13.02 H new ATOM 0 HD11 LEU A 90 5.357 6.217 12.559 1.00 13.50 H new ATOM 0 HD12 LEU A 90 5.864 7.308 13.588 1.00 13.50 H new ATOM 0 HD13 LEU A 90 4.504 6.543 13.853 1.00 13.50 H new ATOM 0 HD21 LEU A 90 3.361 6.585 11.242 1.00 14.09 H new ATOM 0 HD22 LEU A 90 2.546 6.959 12.547 1.00 14.09 H new ATOM 0 HD23 LEU A 90 2.570 7.955 11.316 1.00 14.09 H new ATOM 770 N ILE A 91 7.098 10.072 12.665 1.00 12.78 N ATOM 771 CA ILE A 91 7.967 10.486 11.551 1.00 13.01 C ATOM 772 C ILE A 91 8.304 9.318 10.645 1.00 12.65 C ATOM 773 O ILE A 91 8.321 9.459 9.428 1.00 11.45 O ATOM 774 CB ILE A 91 9.274 11.221 11.990 1.00 15.10 C ATOM 775 CG1 ILE A 91 10.099 11.561 10.732 1.00 15.65 C ATOM 776 CG2 ILE A 91 10.092 10.379 12.964 1.00 12.58 C ATOM 777 CD1 ILE A 91 11.262 12.528 11.060 1.00 18.55 C ATOM 0 H ILE A 91 7.446 9.502 13.207 1.00 12.78 H new ATOM 0 HA ILE A 91 7.443 11.137 11.058 1.00 13.01 H new ATOM 0 HB ILE A 91 9.035 12.037 12.456 1.00 15.10 H new ATOM 0 HG12 ILE A 91 10.454 10.745 10.346 1.00 15.65 H new ATOM 0 HG13 ILE A 91 9.522 11.962 10.064 1.00 15.65 H new ATOM 0 HG21 ILE A 91 10.894 10.863 13.216 1.00 12.58 H new ATOM 0 HG22 ILE A 91 9.563 10.196 13.756 1.00 12.58 H new ATOM 0 HG23 ILE A 91 10.339 9.542 12.540 1.00 12.58 H new ATOM 0 HD11 ILE A 91 11.760 12.722 10.251 1.00 18.55 H new ATOM 0 HD12 ILE A 91 10.904 13.353 11.424 1.00 18.55 H new ATOM 0 HD13 ILE A 91 11.851 12.116 11.711 1.00 18.55 H new ATOM 778 N GLN A 92 8.448 8.096 11.188 1.00 12.28 N ATOM 779 CA GLN A 92 8.828 6.965 10.269 1.00 11.83 C ATOM 780 C GLN A 92 8.565 5.684 11.024 1.00 12.21 C ATOM 781 O GLN A 92 8.417 5.696 12.232 1.00 12.23 O ATOM 782 CB GLN A 92 10.302 6.976 9.796 1.00 14.42 C ATOM 783 CG GLN A 92 11.295 6.952 10.956 1.00 15.04 C ATOM 784 CD GLN A 92 12.039 5.632 11.002 1.00 18.69 C ATOM 785 OE1 GLN A 92 11.456 4.626 11.208 1.00 15.33 O ATOM 786 NE2 GLN A 92 13.329 5.681 10.955 1.00 25.14 N ATOM 0 H GLN A 92 8.343 7.895 12.018 1.00 12.28 H new ATOM 0 HA GLN A 92 8.300 7.056 9.460 1.00 11.83 H new ATOM 0 HB2 GLN A 92 10.460 6.208 9.224 1.00 14.42 H new ATOM 0 HB3 GLN A 92 10.459 7.767 9.258 1.00 14.42 H new ATOM 0 HG2 GLN A 92 11.928 7.681 10.861 1.00 15.04 H new ATOM 0 HG3 GLN A 92 10.825 7.092 11.793 1.00 15.04 H new ATOM 0 HE21 GLN A 92 13.726 6.429 10.803 1.00 25.14 H new ATOM 0 HE22 GLN A 92 13.791 4.966 11.076 1.00 25.14 H new ATOM 787 N PHE A 93 8.411 4.581 10.283 1.00 11.93 N ATOM 788 CA PHE A 93 8.519 3.264 10.919 1.00 11.03 C ATOM 789 C PHE A 93 9.498 2.377 10.131 1.00 11.12 C ATOM 790 O PHE A 93 9.748 2.575 8.943 1.00 11.64 O ATOM 791 CB PHE A 93 7.178 2.572 11.150 1.00 10.95 C ATOM 792 CG PHE A 93 6.496 2.126 9.865 1.00 13.13 C ATOM 793 CD1 PHE A 93 6.878 0.959 9.171 1.00 13.61 C ATOM 794 CD2 PHE A 93 5.377 2.854 9.422 1.00 14.17 C ATOM 795 CE1 PHE A 93 6.183 0.543 8.010 1.00 15.39 C ATOM 796 CE2 PHE A 93 4.653 2.402 8.301 1.00 16.69 C ATOM 797 CZ PHE A 93 5.061 1.279 7.589 1.00 15.70 C ATOM 0 H PHE A 93 8.249 4.572 9.438 1.00 11.93 H new ATOM 0 HA PHE A 93 8.873 3.412 11.810 1.00 11.03 H new ATOM 0 HB2 PHE A 93 7.315 1.799 11.720 1.00 10.95 H new ATOM 0 HB3 PHE A 93 6.588 3.176 11.628 1.00 10.95 H new ATOM 0 HD1 PHE A 93 7.596 0.456 9.480 1.00 13.61 H new ATOM 0 HD2 PHE A 93 5.117 3.629 9.866 1.00 14.17 H new ATOM 0 HE1 PHE A 93 6.464 -0.205 7.534 1.00 15.39 H new ATOM 0 HE2 PHE A 93 3.890 2.862 8.033 1.00 16.69 H new ATOM 0 HZ PHE A 93 4.590 1.014 6.832 1.00 15.70 H new ATOM 798 N HIS A 94 9.976 1.308 10.783 1.00 10.18 N ATOM 799 CA HIS A 94 10.888 0.346 10.191 1.00 10.51 C ATOM 800 C HIS A 94 10.821 -0.888 11.046 1.00 11.14 C ATOM 801 O HIS A 94 10.102 -0.908 12.061 1.00 10.59 O ATOM 802 CB HIS A 94 12.312 0.868 10.173 1.00 10.76 C ATOM 803 CG HIS A 94 12.840 1.137 11.556 1.00 11.18 C ATOM 804 ND1 HIS A 94 12.714 2.362 12.204 1.00 11.40 N ATOM 805 CD2 HIS A 94 13.395 0.277 12.450 1.00 11.27 C ATOM 806 CE1 HIS A 94 13.197 2.260 13.424 1.00 11.88 C ATOM 807 NE2 HIS A 94 13.660 0.987 13.602 1.00 10.99 N ATOM 0 H HIS A 94 9.769 1.127 11.598 1.00 10.18 H new ATOM 0 HA HIS A 94 10.634 0.169 9.272 1.00 10.51 H new ATOM 0 HB2 HIS A 94 12.885 0.223 9.730 1.00 10.76 H new ATOM 0 HB3 HIS A 94 12.348 1.685 9.651 1.00 10.76 H new ATOM 0 HD1 HIS A 94 12.374 3.074 11.861 1.00 11.40 H new ATOM 0 HD2 HIS A 94 13.565 -0.627 12.310 1.00 11.27 H new ATOM 0 HE1 HIS A 94 13.219 2.940 14.058 1.00 11.88 H new ATOM 808 N PHE A 95 11.494 -1.937 10.556 1.00 10.10 N ATOM 809 CA PHE A 95 11.460 -3.209 11.223 1.00 9.48 C ATOM 810 C PHE A 95 12.903 -3.660 11.364 1.00 8.88 C ATOM 811 O PHE A 95 13.862 -3.200 10.724 1.00 10.58 O ATOM 812 CB PHE A 95 10.785 -4.306 10.372 1.00 9.72 C ATOM 813 CG PHE A 95 9.325 -4.030 10.070 1.00 9.76 C ATOM 814 CD1 PHE A 95 8.999 -3.126 9.045 1.00 11.29 C ATOM 815 CD2 PHE A 95 8.313 -4.652 10.737 1.00 11.56 C ATOM 816 CE1 PHE A 95 7.695 -2.863 8.679 1.00 11.12 C ATOM 817 CE2 PHE A 95 6.969 -4.417 10.396 1.00 11.83 C ATOM 818 CZ PHE A 95 6.666 -3.506 9.321 1.00 12.33 C ATOM 0 H PHE A 95 11.970 -1.917 9.840 1.00 10.10 H new ATOM 0 HA PHE A 95 10.975 -3.099 12.056 1.00 9.48 H new ATOM 0 HB2 PHE A 95 11.268 -4.399 9.536 1.00 9.72 H new ATOM 0 HB3 PHE A 95 10.856 -5.154 10.837 1.00 9.72 H new ATOM 0 HD1 PHE A 95 9.687 -2.689 8.597 1.00 11.29 H new ATOM 0 HD2 PHE A 95 8.514 -5.241 11.428 1.00 11.56 H new ATOM 0 HE1 PHE A 95 7.514 -2.253 8.001 1.00 11.12 H new ATOM 0 HE2 PHE A 95 6.284 -4.844 10.858 1.00 11.83 H new ATOM 0 HZ PHE A 95 5.785 -3.356 9.066 1.00 12.33 H new ATOM 819 N HIS A 96 13.025 -4.606 12.306 1.00 9.54 N ATOM 820 CA HIS A 96 14.206 -5.472 12.468 1.00 10.08 C ATOM 821 C HIS A 96 13.822 -6.917 12.358 1.00 11.15 C ATOM 822 O HIS A 96 12.802 -7.264 12.877 1.00 11.87 O ATOM 823 CB HIS A 96 14.873 -5.222 13.841 1.00 10.40 C ATOM 824 CG HIS A 96 15.213 -3.765 14.109 1.00 9.65 C ATOM 825 ND1 HIS A 96 16.467 -3.278 13.946 1.00 10.11 N ATOM 826 CD2 HIS A 96 14.423 -2.726 14.518 1.00 10.70 C ATOM 827 CE1 HIS A 96 16.475 -1.940 14.280 1.00 9.97 C ATOM 828 NE2 HIS A 96 15.199 -1.608 14.596 1.00 9.71 N ATOM 0 H HIS A 96 12.408 -4.766 12.883 1.00 9.54 H new ATOM 0 HA HIS A 96 14.835 -5.257 11.761 1.00 10.08 H new ATOM 0 HB2 HIS A 96 14.281 -5.540 14.540 1.00 10.40 H new ATOM 0 HB3 HIS A 96 15.685 -5.749 13.896 1.00 10.40 H new ATOM 0 HD1 HIS A 96 17.148 -3.730 13.678 1.00 10.11 H new ATOM 0 HD2 HIS A 96 13.514 -2.774 14.710 1.00 10.70 H new ATOM 0 HE1 HIS A 96 17.213 -1.374 14.287 1.00 9.97 H new ATOM 829 N TRP A 97 14.623 -7.771 11.706 1.00 9.99 N ATOM 830 CA TRP A 97 14.190 -9.197 11.523 1.00 10.77 C ATOM 831 C TRP A 97 15.342 -10.086 11.416 1.00 10.89 C ATOM 832 O TRP A 97 16.513 -9.640 11.274 1.00 11.31 O ATOM 833 CB TRP A 97 13.311 -9.332 10.271 1.00 11.22 C ATOM 834 CG TRP A 97 13.957 -8.927 8.979 1.00 12.21 C ATOM 835 CD1 TRP A 97 14.665 -9.729 8.100 1.00 12.12 C ATOM 836 CD2 TRP A 97 14.014 -7.579 8.409 1.00 11.79 C ATOM 837 NE1 TRP A 97 15.084 -9.002 6.990 1.00 13.60 N ATOM 838 CE2 TRP A 97 14.713 -7.683 7.140 1.00 13.13 C ATOM 839 CE3 TRP A 97 13.541 -6.327 8.826 1.00 13.04 C ATOM 840 CZ2 TRP A 97 14.921 -6.589 6.330 1.00 12.89 C ATOM 841 CZ3 TRP A 97 13.777 -5.201 7.947 1.00 13.20 C ATOM 842 CH2 TRP A 97 14.449 -5.341 6.756 1.00 13.94 C ATOM 0 H TRP A 97 15.389 -7.572 11.371 1.00 9.99 H new ATOM 0 HA TRP A 97 13.675 -9.454 12.304 1.00 10.77 H new ATOM 0 HB2 TRP A 97 13.024 -10.255 10.195 1.00 11.22 H new ATOM 0 HB3 TRP A 97 12.512 -8.796 10.397 1.00 11.22 H new ATOM 0 HD1 TRP A 97 14.838 -10.633 8.234 1.00 12.12 H new ATOM 0 HE1 TRP A 97 15.508 -9.325 6.315 1.00 13.60 H new ATOM 0 HE3 TRP A 97 13.094 -6.224 9.635 1.00 13.04 H new ATOM 0 HZ2 TRP A 97 15.365 -6.677 5.518 1.00 12.89 H new ATOM 0 HZ3 TRP A 97 13.466 -4.360 8.195 1.00 13.20 H new ATOM 0 HH2 TRP A 97 14.593 -4.593 6.223 1.00 13.94 H new ATOM 843 N GLY A 98 15.062 -11.374 11.447 1.00 10.48 N ATOM 844 CA GLY A 98 16.132 -12.394 11.423 1.00 10.66 C ATOM 845 C GLY A 98 16.309 -13.110 10.106 1.00 11.43 C ATOM 846 O GLY A 98 15.564 -12.899 9.149 1.00 12.50 O ATOM 0 H GLY A 98 14.264 -11.693 11.482 1.00 10.48 H new ATOM 0 HA2 GLY A 98 16.971 -11.967 11.658 1.00 10.66 H new ATOM 0 HA3 GLY A 98 15.946 -13.053 12.110 1.00 10.66 H new ATOM 847 N SER A 99 17.347 -13.935 10.120 1.00 12.42 N ATOM 848 CA SER A 99 17.600 -14.909 9.020 1.00 13.49 C ATOM 849 C SER A 99 16.663 -16.145 9.121 1.00 16.12 C ATOM 850 O SER A 99 16.577 -16.898 8.122 1.00 17.72 O ATOM 851 CB SER A 99 19.069 -15.337 9.070 1.00 13.87 C ATOM 852 OG SER A 99 19.418 -15.943 10.301 1.00 15.37 O ATOM 0 H SER A 99 17.929 -13.959 10.753 1.00 12.42 H new ATOM 0 HA SER A 99 17.410 -14.481 8.171 1.00 13.49 H new ATOM 0 HB2 SER A 99 19.246 -15.958 8.346 1.00 13.87 H new ATOM 0 HB3 SER A 99 19.633 -14.562 8.924 1.00 13.87 H new ATOM 0 HG SER A 99 19.896 -15.416 10.748 1.00 15.37 H new ATOM 853 N LEU A 100 16.039 -16.353 10.280 1.00 14.61 N ATOM 854 CA LEU A 100 15.189 -17.507 10.564 1.00 17.29 C ATOM 855 C LEU A 100 14.060 -16.971 11.393 1.00 16.60 C ATOM 856 O LEU A 100 14.196 -15.984 12.122 1.00 16.66 O ATOM 857 CB LEU A 100 15.964 -18.498 11.511 1.00 20.77 C ATOM 858 CG LEU A 100 17.335 -18.992 11.054 1.00 24.53 C ATOM 859 CD1 LEU A 100 18.071 -19.798 12.116 1.00 29.56 C ATOM 860 CD2 LEU A 100 17.030 -19.888 9.855 1.00 24.88 C ATOM 0 H LEU A 100 16.101 -15.809 10.943 1.00 14.61 H new ATOM 0 HA LEU A 100 14.915 -17.949 9.745 1.00 17.29 H new ATOM 0 HB2 LEU A 100 16.075 -18.063 12.371 1.00 20.77 H new ATOM 0 HB3 LEU A 100 15.400 -19.274 11.656 1.00 20.77 H new ATOM 0 HG LEU A 100 17.916 -18.242 10.854 1.00 24.53 H new ATOM 0 HD11 LEU A 100 18.931 -20.083 11.768 1.00 29.56 H new ATOM 0 HD12 LEU A 100 18.207 -19.248 12.903 1.00 29.56 H new ATOM 0 HD13 LEU A 100 17.545 -20.577 12.353 1.00 29.56 H new ATOM 0 HD21 LEU A 100 17.858 -20.247 9.500 1.00 24.88 H new ATOM 0 HD22 LEU A 100 16.455 -20.618 10.134 1.00 24.88 H new ATOM 0 HD23 LEU A 100 16.583 -19.369 9.168 1.00 24.88 H new ATOM 861 N ASP A 101 12.922 -17.633 11.360 1.00 15.24 N ATOM 862 CA ASP A 101 11.815 -17.198 12.221 1.00 14.43 C ATOM 863 C ASP A 101 12.102 -17.174 13.741 1.00 14.72 C ATOM 864 O ASP A 101 11.465 -16.445 14.458 1.00 16.55 O ATOM 865 CB ASP A 101 10.578 -18.095 12.015 1.00 14.13 C ATOM 866 CG ASP A 101 10.090 -18.128 10.575 1.00 18.27 C ATOM 867 OD1 ASP A 101 10.525 -17.286 9.763 1.00 17.04 O ATOM 868 OD2 ASP A 101 9.258 -19.006 10.256 1.00 21.59 O ATOM 0 H ASP A 101 12.761 -18.318 10.866 1.00 15.24 H new ATOM 0 HA ASP A 101 11.669 -16.281 11.942 1.00 14.43 H new ATOM 0 HB2 ASP A 101 10.791 -18.998 12.298 1.00 14.13 H new ATOM 0 HB3 ASP A 101 9.860 -17.780 12.586 1.00 14.13 H new ATOM 869 N GLY A 102 13.062 -17.972 14.238 1.00 15.48 N ATOM 870 CA GLY A 102 13.344 -17.994 15.696 1.00 13.46 C ATOM 871 C GLY A 102 14.148 -16.823 16.244 1.00 11.95 C ATOM 872 O GLY A 102 14.475 -16.800 17.433 1.00 14.79 O ATOM 0 H GLY A 102 13.552 -18.497 13.766 1.00 15.48 H new ATOM 0 HA2 GLY A 102 12.498 -18.031 16.169 1.00 13.46 H new ATOM 0 HA3 GLY A 102 13.820 -18.814 15.902 1.00 13.46 H new ATOM 873 N GLN A 103 14.425 -15.821 15.419 1.00 12.62 N ATOM 874 CA GLN A 103 15.125 -14.608 15.934 1.00 11.86 C ATOM 875 C GLN A 103 14.805 -13.446 15.029 1.00 13.42 C ATOM 876 O GLN A 103 14.309 -13.621 13.922 1.00 13.24 O ATOM 877 CB GLN A 103 16.653 -14.872 15.935 1.00 13.00 C ATOM 878 CG GLN A 103 17.251 -15.065 14.529 1.00 15.25 C ATOM 879 CD GLN A 103 18.637 -15.651 14.629 1.00 18.42 C ATOM 880 OE1 GLN A 103 18.811 -16.583 15.415 1.00 24.35 O ATOM 881 NE2 GLN A 103 19.609 -15.149 13.859 1.00 17.21 N ATOM 0 H GLN A 103 14.231 -15.805 14.581 1.00 12.62 H new ATOM 0 HA GLN A 103 14.835 -14.405 16.837 1.00 11.86 H new ATOM 0 HB2 GLN A 103 17.101 -14.129 16.369 1.00 13.00 H new ATOM 0 HB3 GLN A 103 16.836 -15.663 16.466 1.00 13.00 H new ATOM 0 HG2 GLN A 103 16.682 -15.651 14.006 1.00 15.25 H new ATOM 0 HG3 GLN A 103 17.285 -14.214 14.065 1.00 15.25 H new ATOM 0 HE21 GLN A 103 19.440 -14.497 13.324 1.00 17.21 H new ATOM 0 HE22 GLN A 103 20.402 -15.478 13.899 1.00 17.21 H new ATOM 882 N GLY A 104 15.086 -12.233 15.514 1.00 13.86 N ATOM 883 CA GLY A 104 14.898 -11.052 14.689 1.00 11.54 C ATOM 884 C GLY A 104 14.468 -9.895 15.547 1.00 11.89 C ATOM 885 O GLY A 104 14.720 -8.729 15.195 1.00 12.72 O ATOM 0 H GLY A 104 15.382 -12.080 16.307 1.00 13.86 H new ATOM 0 HA2 GLY A 104 15.723 -10.834 14.228 1.00 11.54 H new ATOM 0 HA3 GLY A 104 14.230 -11.226 14.008 1.00 11.54 H new ATOM 886 N SER A 105 13.829 -10.162 16.675 1.00 10.65 N ATOM 887 CA SER A 105 13.349 -8.996 17.517 1.00 11.50 C ATOM 888 C SER A 105 14.547 -8.482 18.308 1.00 12.45 C ATOM 889 O SER A 105 15.577 -9.187 18.503 1.00 11.32 O ATOM 890 CB SER A 105 12.214 -9.391 18.394 1.00 12.33 C ATOM 891 OG SER A 105 12.600 -10.283 19.369 1.00 11.82 O ATOM 0 H SER A 105 13.657 -10.947 16.982 1.00 10.65 H new ATOM 0 HA SER A 105 13.003 -8.286 16.954 1.00 11.50 H new ATOM 0 HB2 SER A 105 11.839 -8.600 18.811 1.00 12.33 H new ATOM 0 HB3 SER A 105 11.512 -9.787 17.854 1.00 12.33 H new ATOM 0 HG SER A 105 12.697 -9.877 20.098 1.00 11.82 H new ATOM 892 N GLU A 106 14.451 -7.207 18.639 1.00 11.67 N ATOM 893 CA GLU A 106 15.512 -6.548 19.449 1.00 12.78 C ATOM 894 C GLU A 106 15.153 -6.721 20.936 1.00 11.45 C ATOM 895 O GLU A 106 15.902 -7.317 21.693 1.00 11.86 O ATOM 896 CB GLU A 106 15.619 -5.075 19.019 1.00 11.18 C ATOM 897 CG GLU A 106 15.896 -4.956 17.523 1.00 13.57 C ATOM 898 CD GLU A 106 16.663 -3.701 17.229 1.00 11.95 C ATOM 899 OE1 GLU A 106 16.076 -2.573 17.478 1.00 12.86 O ATOM 900 OE2 GLU A 106 17.866 -3.797 16.888 1.00 14.46 O ATOM 0 H GLU A 106 13.796 -6.696 18.417 1.00 11.67 H new ATOM 0 HA GLU A 106 16.384 -6.949 19.307 1.00 12.78 H new ATOM 0 HB2 GLU A 106 14.795 -4.611 19.236 1.00 11.18 H new ATOM 0 HB3 GLU A 106 16.329 -4.641 19.518 1.00 11.18 H new ATOM 0 HG2 GLU A 106 16.399 -5.728 17.219 1.00 13.57 H new ATOM 0 HG3 GLU A 106 15.059 -4.952 17.033 1.00 13.57 H new ATOM 901 N HIS A 107 13.954 -6.285 21.358 1.00 11.32 N ATOM 902 CA HIS A 107 13.507 -6.636 22.697 1.00 10.27 C ATOM 903 C HIS A 107 13.186 -8.093 22.724 1.00 10.79 C ATOM 904 O HIS A 107 12.801 -8.678 21.708 1.00 11.33 O ATOM 905 CB HIS A 107 12.270 -5.824 23.074 1.00 10.42 C ATOM 906 CG HIS A 107 12.595 -4.365 23.221 1.00 10.54 C ATOM 907 ND1 HIS A 107 12.538 -3.503 22.166 1.00 9.38 N ATOM 908 CD2 HIS A 107 13.049 -3.645 24.310 1.00 11.79 C ATOM 909 CE1 HIS A 107 12.999 -2.293 22.579 1.00 10.07 C ATOM 910 NE2 HIS A 107 13.249 -2.362 23.876 1.00 10.24 N ATOM 0 H HIS A 107 13.410 -5.804 20.898 1.00 11.32 H new ATOM 0 HA HIS A 107 14.208 -6.437 23.337 1.00 10.27 H new ATOM 0 HB2 HIS A 107 11.587 -5.938 22.395 1.00 10.42 H new ATOM 0 HB3 HIS A 107 11.902 -6.160 23.906 1.00 10.42 H new ATOM 0 HD1 HIS A 107 12.258 -3.692 21.375 1.00 9.38 H new ATOM 0 HD2 HIS A 107 13.191 -3.969 25.170 1.00 11.79 H new ATOM 0 HE1 HIS A 107 13.118 -1.544 22.041 1.00 10.07 H new ATOM 911 N THR A 108 13.386 -8.697 23.894 1.00 10.82 N ATOM 912 CA THR A 108 12.911 -10.054 24.139 1.00 11.40 C ATOM 913 C THR A 108 11.976 -10.072 25.358 1.00 12.83 C ATOM 914 O THR A 108 11.914 -9.126 26.143 1.00 11.81 O ATOM 915 CB THR A 108 14.122 -10.991 24.341 1.00 11.22 C ATOM 916 OG1 THR A 108 14.988 -10.469 25.362 1.00 12.31 O ATOM 917 CG2 THR A 108 15.025 -11.028 23.106 1.00 11.31 C ATOM 0 H THR A 108 13.795 -8.336 24.559 1.00 10.82 H new ATOM 0 HA THR A 108 12.404 -10.369 23.374 1.00 11.40 H new ATOM 0 HB THR A 108 13.746 -11.861 24.550 1.00 11.22 H new ATOM 0 HG1 THR A 108 14.695 -10.690 26.118 1.00 12.31 H new ATOM 0 HG21 THR A 108 15.772 -11.625 23.269 1.00 11.31 H new ATOM 0 HG22 THR A 108 14.518 -11.347 22.343 1.00 11.31 H new ATOM 0 HG23 THR A 108 15.358 -10.136 22.922 1.00 11.31 H new ATOM 918 N VAL A 109 11.164 -11.133 25.488 1.00 13.29 N ATOM 919 CA VAL A 109 10.182 -11.181 26.576 1.00 12.88 C ATOM 920 C VAL A 109 10.511 -12.468 27.363 1.00 12.50 C ATOM 921 O VAL A 109 10.400 -13.534 26.771 1.00 14.58 O ATOM 922 CB VAL A 109 8.753 -11.246 25.996 1.00 13.77 C ATOM 923 CG1 VAL A 109 7.714 -11.348 27.124 1.00 15.53 C ATOM 924 CG2 VAL A 109 8.398 -10.005 25.146 1.00 12.37 C ATOM 0 H VAL A 109 11.167 -11.818 24.968 1.00 13.29 H new ATOM 0 HA VAL A 109 10.222 -10.395 27.143 1.00 12.88 H new ATOM 0 HB VAL A 109 8.733 -12.033 25.430 1.00 13.77 H new ATOM 0 HG11 VAL A 109 6.824 -11.388 26.741 1.00 15.53 H new ATOM 0 HG12 VAL A 109 7.878 -12.150 27.644 1.00 15.53 H new ATOM 0 HG13 VAL A 109 7.784 -10.570 27.700 1.00 15.53 H new ATOM 0 HG21 VAL A 109 7.494 -10.093 24.806 1.00 12.37 H new ATOM 0 HG22 VAL A 109 8.460 -9.208 25.695 1.00 12.37 H new ATOM 0 HG23 VAL A 109 9.017 -9.934 24.403 1.00 12.37 H new ATOM 925 N ASP A 110 10.982 -12.347 28.576 1.00 14.11 N ATOM 926 CA ASP A 110 11.547 -13.532 29.334 1.00 16.84 C ATOM 927 C ASP A 110 12.452 -14.364 28.399 1.00 14.67 C ATOM 928 O ASP A 110 12.331 -15.623 28.320 1.00 17.03 O ATOM 929 CB ASP A 110 10.378 -14.334 29.894 1.00 18.47 C ATOM 930 CG ASP A 110 9.512 -13.484 30.850 1.00 17.09 C ATOM 931 OD1 ASP A 110 10.099 -12.720 31.567 1.00 19.67 O ATOM 932 OD2 ASP A 110 8.294 -13.652 30.872 1.00 20.16 O ATOM 0 H ASP A 110 11.001 -11.606 29.011 1.00 14.11 H new ATOM 0 HA ASP A 110 12.104 -13.247 30.076 1.00 16.84 H new ATOM 0 HB2 ASP A 110 9.830 -14.661 29.164 1.00 18.47 H new ATOM 0 HB3 ASP A 110 10.715 -15.112 30.366 1.00 18.47 H new ATOM 933 N LYS A 111 13.384 -13.653 27.729 1.00 14.54 N ATOM 934 CA LYS A 111 14.419 -14.178 26.793 1.00 14.57 C ATOM 935 C LYS A 111 13.862 -14.706 25.462 1.00 13.76 C ATOM 936 O LYS A 111 14.622 -15.148 24.605 1.00 14.57 O ATOM 937 CB LYS A 111 15.272 -15.250 27.497 1.00 17.81 C ATOM 938 CG LYS A 111 15.830 -14.759 28.836 1.00 21.50 C ATOM 939 CD LYS A 111 16.830 -13.651 28.562 1.00 26.32 C ATOM 940 CE LYS A 111 17.651 -13.259 29.771 1.00 28.40 C ATOM 941 NZ LYS A 111 19.038 -13.683 29.406 1.00 35.16 N ATOM 0 H LYS A 111 13.434 -12.798 27.812 1.00 14.54 H new ATOM 0 HA LYS A 111 14.974 -13.420 26.552 1.00 14.57 H new ATOM 0 HB2 LYS A 111 14.734 -16.044 27.644 1.00 17.81 H new ATOM 0 HB3 LYS A 111 16.006 -15.508 26.918 1.00 17.81 H new ATOM 0 HG2 LYS A 111 15.112 -14.433 29.401 1.00 21.50 H new ATOM 0 HG3 LYS A 111 16.257 -15.489 29.311 1.00 21.50 H new ATOM 0 HD2 LYS A 111 17.428 -13.934 27.853 1.00 26.32 H new ATOM 0 HD3 LYS A 111 16.355 -12.870 28.237 1.00 26.32 H new ATOM 0 HE2 LYS A 111 17.603 -12.305 29.941 1.00 28.40 H new ATOM 0 HE3 LYS A 111 17.341 -13.707 30.574 1.00 28.40 H new ATOM 0 HZ1 LYS A 111 19.562 -13.635 30.124 1.00 35.16 H new ATOM 0 HZ2 LYS A 111 19.023 -14.520 29.105 1.00 35.16 H new ATOM 0 HZ3 LYS A 111 19.356 -13.146 28.771 1.00 35.16 H new ATOM 942 N LYS A 112 12.542 -14.680 25.294 1.00 12.79 N ATOM 943 CA LYS A 112 11.921 -15.078 24.027 1.00 14.21 C ATOM 944 C LYS A 112 12.222 -14.029 22.931 1.00 14.86 C ATOM 945 O LYS A 112 11.962 -12.832 23.133 1.00 13.49 O ATOM 946 CB LYS A 112 10.383 -15.219 24.135 1.00 14.95 C ATOM 947 CG LYS A 112 9.759 -15.524 22.764 1.00 16.27 C ATOM 948 CD LYS A 112 8.225 -15.437 22.889 1.00 18.20 C ATOM 949 CE LYS A 112 7.613 -15.601 21.489 1.00 20.84 C ATOM 950 NZ LYS A 112 7.713 -17.010 21.044 1.00 20.09 N ATOM 0 H LYS A 112 11.985 -14.435 25.902 1.00 12.79 H new ATOM 0 HA LYS A 112 12.299 -15.942 23.800 1.00 14.21 H new ATOM 0 HB2 LYS A 112 10.163 -15.928 24.759 1.00 14.95 H new ATOM 0 HB3 LYS A 112 10.004 -14.400 24.491 1.00 14.95 H new ATOM 0 HG2 LYS A 112 10.079 -14.892 22.101 1.00 16.27 H new ATOM 0 HG3 LYS A 112 10.022 -16.408 22.464 1.00 16.27 H new ATOM 0 HD2 LYS A 112 7.895 -16.128 23.484 1.00 18.20 H new ATOM 0 HD3 LYS A 112 7.966 -14.585 23.273 1.00 18.20 H new ATOM 0 HE2 LYS A 112 6.683 -15.325 21.502 1.00 20.84 H new ATOM 0 HE3 LYS A 112 8.072 -15.023 20.859 1.00 20.84 H new ATOM 0 HZ1 LYS A 112 7.133 -17.155 20.385 1.00 20.09 H new ATOM 0 HZ2 LYS A 112 8.538 -17.172 20.753 1.00 20.09 H new ATOM 0 HZ3 LYS A 112 7.528 -17.551 21.726 1.00 20.09 H new ATOM 951 N LYS A 113 12.767 -14.504 21.821 1.00 13.10 N ATOM 952 CA LYS A 113 12.998 -13.733 20.584 1.00 13.64 C ATOM 953 C LYS A 113 11.846 -13.961 19.609 1.00 14.24 C ATOM 954 O LYS A 113 11.451 -15.097 19.299 1.00 13.95 O ATOM 955 CB LYS A 113 14.323 -14.152 19.903 1.00 13.94 C ATOM 956 CG LYS A 113 15.534 -13.727 20.672 1.00 15.35 C ATOM 957 CD LYS A 113 16.761 -14.338 20.009 1.00 16.86 C ATOM 958 CE LYS A 113 17.956 -13.796 20.750 1.00 19.75 C ATOM 959 NZ LYS A 113 19.144 -14.640 20.455 1.00 27.30 N ATOM 0 H LYS A 113 13.028 -15.321 21.755 1.00 13.10 H new ATOM 0 HA LYS A 113 13.053 -12.795 20.824 1.00 13.64 H new ATOM 0 HB2 LYS A 113 14.335 -15.116 19.796 1.00 13.94 H new ATOM 0 HB3 LYS A 113 14.359 -13.768 19.013 1.00 13.94 H new ATOM 0 HG2 LYS A 113 15.604 -12.760 20.685 1.00 15.35 H new ATOM 0 HG3 LYS A 113 15.468 -14.019 21.595 1.00 15.35 H new ATOM 0 HD2 LYS A 113 16.734 -15.306 20.057 1.00 16.86 H new ATOM 0 HD3 LYS A 113 16.800 -14.102 19.069 1.00 16.86 H new ATOM 0 HE2 LYS A 113 18.125 -12.878 20.485 1.00 19.75 H new ATOM 0 HE3 LYS A 113 17.781 -13.788 21.704 1.00 19.75 H new ATOM 0 HZ1 LYS A 113 19.886 -14.169 20.596 1.00 27.30 H new ATOM 0 HZ2 LYS A 113 19.141 -15.354 20.987 1.00 27.30 H new ATOM 0 HZ3 LYS A 113 19.118 -14.903 19.605 1.00 27.30 H new ATOM 960 N TYR A 114 11.214 -12.878 19.154 1.00 14.22 N ATOM 961 CA TYR A 114 10.221 -12.975 18.121 1.00 11.56 C ATOM 962 C TYR A 114 10.875 -12.860 16.694 1.00 10.87 C ATOM 963 O TYR A 114 12.122 -12.595 16.564 1.00 12.90 O ATOM 964 CB TYR A 114 9.185 -11.852 18.238 1.00 12.71 C ATOM 965 CG TYR A 114 8.212 -12.047 19.390 1.00 11.37 C ATOM 966 CD1 TYR A 114 8.539 -11.652 20.681 1.00 13.89 C ATOM 967 CD2 TYR A 114 6.974 -12.686 19.147 1.00 14.91 C ATOM 968 CE1 TYR A 114 7.630 -11.829 21.736 1.00 16.60 C ATOM 969 CE2 TYR A 114 6.079 -12.881 20.156 1.00 16.45 C ATOM 970 CZ TYR A 114 6.421 -12.461 21.450 1.00 16.76 C ATOM 971 OH TYR A 114 5.530 -12.655 22.484 1.00 21.46 O ATOM 0 H TYR A 114 11.356 -12.080 19.441 1.00 14.22 H new ATOM 0 HA TYR A 114 9.795 -13.839 18.231 1.00 11.56 H new ATOM 0 HB2 TYR A 114 9.646 -11.006 18.352 1.00 12.71 H new ATOM 0 HB3 TYR A 114 8.686 -11.793 17.408 1.00 12.71 H new ATOM 0 HD1 TYR A 114 9.369 -11.266 20.848 1.00 13.89 H new ATOM 0 HD2 TYR A 114 6.768 -12.977 18.288 1.00 14.91 H new ATOM 0 HE1 TYR A 114 7.828 -11.535 22.596 1.00 16.60 H new ATOM 0 HE2 TYR A 114 5.258 -13.285 19.990 1.00 16.45 H new ATOM 0 HH TYR A 114 5.101 -13.366 22.355 1.00 21.46 H new ATOM 972 N ALA A 115 10.093 -13.148 15.618 1.00 11.44 N ATOM 973 CA ALA A 115 10.606 -13.217 14.231 1.00 11.86 C ATOM 974 C ALA A 115 11.055 -11.833 13.737 1.00 11.59 C ATOM 975 O ALA A 115 11.908 -11.699 12.873 1.00 13.16 O ATOM 976 CB ALA A 115 9.519 -13.775 13.306 1.00 12.41 C ATOM 0 H ALA A 115 9.250 -13.308 15.681 1.00 11.44 H new ATOM 0 HA ALA A 115 11.377 -13.806 14.219 1.00 11.86 H new ATOM 0 HB1 ALA A 115 9.858 -13.819 12.398 1.00 12.41 H new ATOM 0 HB2 ALA A 115 9.268 -14.665 13.601 1.00 12.41 H new ATOM 0 HB3 ALA A 115 8.742 -13.195 13.333 1.00 12.41 H new ATOM 977 N ALA A 116 10.431 -10.805 14.341 1.00 11.90 N ATOM 978 CA ALA A 116 10.723 -9.423 13.857 1.00 11.57 C ATOM 979 C ALA A 116 10.165 -8.391 14.846 1.00 12.33 C ATOM 980 O ALA A 116 9.487 -8.811 15.778 1.00 10.96 O ATOM 981 CB ALA A 116 10.180 -9.161 12.436 1.00 11.67 C ATOM 0 H ALA A 116 9.870 -10.868 14.990 1.00 11.90 H new ATOM 0 HA ALA A 116 11.688 -9.335 13.806 1.00 11.57 H new ATOM 0 HB1 ALA A 116 10.395 -8.253 12.170 1.00 11.67 H new ATOM 0 HB2 ALA A 116 10.586 -9.785 11.814 1.00 11.67 H new ATOM 0 HB3 ALA A 116 9.217 -9.280 12.430 1.00 11.67 H new ATOM 982 N GLU A 117 10.543 -7.112 14.732 1.00 11.62 N ATOM 983 CA GLU A 117 9.957 -6.107 15.629 1.00 10.96 C ATOM 984 C GLU A 117 9.792 -4.901 14.763 1.00 11.51 C ATOM 985 O GLU A 117 10.720 -4.524 14.039 1.00 11.15 O ATOM 986 CB GLU A 117 10.890 -5.822 16.802 1.00 12.08 C ATOM 987 CG GLU A 117 10.359 -4.932 17.931 1.00 11.81 C ATOM 988 CD GLU A 117 11.346 -4.866 19.080 1.00 13.57 C ATOM 989 OE1 GLU A 117 12.008 -5.921 19.400 1.00 11.97 O ATOM 990 OE2 GLU A 117 11.445 -3.758 19.678 1.00 14.09 O ATOM 0 H GLU A 117 11.116 -6.813 14.164 1.00 11.62 H new ATOM 0 HA GLU A 117 9.118 -6.396 16.022 1.00 10.96 H new ATOM 0 HB2 GLU A 117 11.152 -6.672 17.189 1.00 12.08 H new ATOM 0 HB3 GLU A 117 11.695 -5.411 16.451 1.00 12.08 H new ATOM 0 HG2 GLU A 117 10.192 -4.039 17.592 1.00 11.81 H new ATOM 0 HG3 GLU A 117 9.510 -5.278 18.249 1.00 11.81 H new ATOM 991 N LEU A 118 8.616 -4.312 14.869 1.00 10.17 N ATOM 992 CA LEU A 118 8.224 -3.041 14.207 1.00 9.72 C ATOM 993 C LEU A 118 8.459 -1.867 15.189 1.00 9.24 C ATOM 994 O LEU A 118 8.114 -1.977 16.343 1.00 9.25 O ATOM 995 CB LEU A 118 6.726 -3.093 13.843 1.00 9.20 C ATOM 996 CG LEU A 118 6.024 -1.749 13.520 1.00 9.64 C ATOM 997 CD1 LEU A 118 6.595 -1.209 12.206 1.00 11.34 C ATOM 998 CD2 LEU A 118 4.485 -2.100 13.395 1.00 10.16 C ATOM 0 H LEU A 118 7.983 -4.644 15.347 1.00 10.17 H new ATOM 0 HA LEU A 118 8.753 -2.916 13.404 1.00 9.72 H new ATOM 0 HB2 LEU A 118 6.624 -3.677 13.075 1.00 9.20 H new ATOM 0 HB3 LEU A 118 6.252 -3.509 14.580 1.00 9.20 H new ATOM 0 HG LEU A 118 6.160 -1.067 14.196 1.00 9.64 H new ATOM 0 HD11 LEU A 118 6.166 -0.367 11.988 1.00 11.34 H new ATOM 0 HD12 LEU A 118 7.550 -1.070 12.301 1.00 11.34 H new ATOM 0 HD13 LEU A 118 6.431 -1.848 11.495 1.00 11.34 H new ATOM 0 HD21 LEU A 118 3.985 -1.294 13.192 1.00 10.16 H new ATOM 0 HD22 LEU A 118 4.357 -2.747 12.684 1.00 10.16 H new ATOM 0 HD23 LEU A 118 4.169 -2.474 14.233 1.00 10.16 H new ATOM 999 N HIS A 119 9.096 -0.788 14.705 1.00 8.90 N ATOM 1000 CA HIS A 119 9.371 0.428 15.460 1.00 9.89 C ATOM 1001 C HIS A 119 8.676 1.566 14.797 1.00 10.37 C ATOM 1002 O HIS A 119 8.999 1.853 13.617 1.00 11.01 O ATOM 1003 CB HIS A 119 10.897 0.693 15.516 1.00 9.37 C ATOM 1004 CG HIS A 119 11.571 -0.319 16.474 1.00 9.25 C ATOM 1005 ND1 HIS A 119 12.887 -0.647 16.466 1.00 10.50 N ATOM 1006 CD2 HIS A 119 10.973 -1.074 17.466 1.00 9.34 C ATOM 1007 CE1 HIS A 119 13.133 -1.551 17.440 1.00 9.98 C ATOM 1008 NE2 HIS A 119 11.949 -1.898 17.990 1.00 8.95 N ATOM 0 H HIS A 119 9.387 -0.752 13.897 1.00 8.90 H new ATOM 0 HA HIS A 119 9.048 0.329 16.369 1.00 9.89 H new ATOM 0 HB2 HIS A 119 11.280 0.615 14.628 1.00 9.37 H new ATOM 0 HB3 HIS A 119 11.065 1.599 15.819 1.00 9.37 H new ATOM 0 HD2 HIS A 119 10.082 -1.034 17.730 1.00 9.34 H new ATOM 0 HE1 HIS A 119 13.968 -1.876 17.687 1.00 9.98 H new ATOM 0 HE2 HIS A 119 11.825 -2.524 18.567 1.00 8.95 H new ATOM 1009 N LEU A 120 7.683 2.200 15.491 1.00 10.29 N ATOM 1010 CA LEU A 120 7.013 3.446 15.008 1.00 10.13 C ATOM 1011 C LEU A 120 7.611 4.588 15.797 1.00 9.62 C ATOM 1012 O LEU A 120 7.532 4.593 16.990 1.00 10.08 O ATOM 1013 CB LEU A 120 5.508 3.297 15.240 1.00 9.90 C ATOM 1014 CG LEU A 120 4.915 2.224 14.317 1.00 12.54 C ATOM 1015 CD1 LEU A 120 4.013 1.330 15.155 1.00 14.85 C ATOM 1016 CD2 LEU A 120 4.119 2.873 13.184 1.00 14.26 C ATOM 0 H LEU A 120 7.385 1.919 16.247 1.00 10.29 H new ATOM 0 HA LEU A 120 7.146 3.612 14.062 1.00 10.13 H new ATOM 0 HB2 LEU A 120 5.342 3.060 16.166 1.00 9.90 H new ATOM 0 HB3 LEU A 120 5.067 4.146 15.080 1.00 9.90 H new ATOM 0 HG LEU A 120 5.625 1.700 13.915 1.00 12.54 H new ATOM 0 HD11 LEU A 120 3.625 0.642 14.592 1.00 14.85 H new ATOM 0 HD12 LEU A 120 4.534 0.915 15.860 1.00 14.85 H new ATOM 0 HD13 LEU A 120 3.304 1.863 15.548 1.00 14.85 H new ATOM 0 HD21 LEU A 120 3.751 2.183 12.610 1.00 14.26 H new ATOM 0 HD22 LEU A 120 3.396 3.402 13.557 1.00 14.26 H new ATOM 0 HD23 LEU A 120 4.704 3.447 12.665 1.00 14.26 H new ATOM 1017 N VAL A 121 8.354 5.442 15.077 1.00 10.56 N ATOM 1018 CA VAL A 121 9.226 6.442 15.746 1.00 9.77 C ATOM 1019 C VAL A 121 8.491 7.785 15.776 1.00 9.27 C ATOM 1020 O VAL A 121 8.140 8.240 14.721 1.00 9.63 O ATOM 1021 CB VAL A 121 10.556 6.567 14.958 1.00 10.77 C ATOM 1022 CG1 VAL A 121 11.536 7.541 15.643 1.00 12.37 C ATOM 1023 CG2 VAL A 121 11.253 5.186 14.781 1.00 10.48 C ATOM 0 H VAL A 121 8.372 5.464 14.217 1.00 10.56 H new ATOM 0 HA VAL A 121 9.428 6.167 16.654 1.00 9.77 H new ATOM 0 HB VAL A 121 10.321 6.917 14.084 1.00 10.77 H new ATOM 0 HG11 VAL A 121 12.354 7.595 15.125 1.00 12.37 H new ATOM 0 HG12 VAL A 121 11.131 8.421 15.700 1.00 12.37 H new ATOM 0 HG13 VAL A 121 11.740 7.221 16.536 1.00 12.37 H new ATOM 0 HG21 VAL A 121 12.079 5.301 14.286 1.00 10.48 H new ATOM 0 HG22 VAL A 121 11.449 4.808 15.653 1.00 10.48 H new ATOM 0 HG23 VAL A 121 10.666 4.587 14.294 1.00 10.48 H new ATOM 1024 N HIS A 122 8.418 8.394 16.948 1.00 9.19 N ATOM 1025 CA HIS A 122 7.703 9.660 17.131 1.00 10.52 C ATOM 1026 C HIS A 122 8.593 10.624 17.859 1.00 11.86 C ATOM 1027 O HIS A 122 9.302 10.248 18.756 1.00 11.10 O ATOM 1028 CB HIS A 122 6.423 9.493 17.956 1.00 12.57 C ATOM 1029 CG HIS A 122 5.579 8.317 17.560 1.00 12.23 C ATOM 1030 ND1 HIS A 122 5.944 7.016 17.849 1.00 12.02 N ATOM 1031 CD2 HIS A 122 4.314 8.251 16.984 1.00 13.25 C ATOM 1032 CE1 HIS A 122 4.954 6.177 17.416 1.00 13.24 C ATOM 1033 NE2 HIS A 122 3.959 6.924 16.877 1.00 13.01 N ATOM 0 H HIS A 122 8.781 8.089 17.666 1.00 9.19 H new ATOM 0 HA HIS A 122 7.462 9.984 16.249 1.00 10.52 H new ATOM 0 HB2 HIS A 122 6.664 9.404 18.891 1.00 12.57 H new ATOM 0 HB3 HIS A 122 5.892 10.300 17.875 1.00 12.57 H new ATOM 0 HD1 HIS A 122 6.673 6.774 18.237 1.00 12.02 H new ATOM 0 HD2 HIS A 122 3.798 8.977 16.717 1.00 13.25 H new ATOM 0 HE1 HIS A 122 4.962 5.249 17.481 1.00 13.24 H new ATOM 1034 N TRP A 123 8.482 11.879 17.494 1.00 10.68 N ATOM 1035 CA TRP A 123 9.262 12.901 18.223 1.00 11.40 C ATOM 1036 C TRP A 123 8.381 13.865 19.022 1.00 12.11 C ATOM 1037 O TRP A 123 7.258 14.225 18.658 1.00 13.61 O ATOM 1038 CB TRP A 123 10.173 13.683 17.296 1.00 12.17 C ATOM 1039 CG TRP A 123 9.471 14.318 16.113 1.00 12.31 C ATOM 1040 CD1 TRP A 123 9.188 13.740 14.876 1.00 12.10 C ATOM 1041 CD2 TRP A 123 8.943 15.691 16.021 1.00 13.86 C ATOM 1042 NE1 TRP A 123 8.539 14.632 14.057 1.00 14.18 N ATOM 1043 CE2 TRP A 123 8.362 15.820 14.682 1.00 14.37 C ATOM 1044 CE3 TRP A 123 8.897 16.779 16.882 1.00 12.77 C ATOM 1045 CZ2 TRP A 123 7.767 16.997 14.252 1.00 16.87 C ATOM 1046 CZ3 TRP A 123 8.295 17.959 16.438 1.00 14.24 C ATOM 1047 CH2 TRP A 123 7.744 18.064 15.155 1.00 14.78 C ATOM 0 H TRP A 123 7.986 12.171 16.855 1.00 10.68 H new ATOM 0 HA TRP A 123 9.808 12.408 18.856 1.00 11.40 H new ATOM 0 HB2 TRP A 123 10.615 14.379 17.807 1.00 12.17 H new ATOM 0 HB3 TRP A 123 10.866 13.090 16.966 1.00 12.17 H new ATOM 0 HD1 TRP A 123 9.409 12.869 14.638 1.00 12.10 H new ATOM 0 HE1 TRP A 123 8.280 14.459 13.255 1.00 14.18 H new ATOM 0 HE3 TRP A 123 9.259 16.724 17.737 1.00 12.77 H new ATOM 0 HZ2 TRP A 123 7.400 17.073 13.401 1.00 16.87 H new ATOM 0 HZ3 TRP A 123 8.259 18.693 17.008 1.00 14.24 H new ATOM 0 HH2 TRP A 123 7.352 18.866 14.896 1.00 14.78 H new ATOM 1048 N ASN A 124 8.943 14.334 20.131 1.00 12.90 N ATOM 1049 CA ASN A 124 8.229 15.221 21.032 1.00 12.00 C ATOM 1050 C ASN A 124 8.016 16.630 20.416 1.00 12.91 C ATOM 1051 O ASN A 124 8.986 17.339 20.119 1.00 14.05 O ATOM 1052 CB ASN A 124 9.059 15.284 22.312 1.00 13.75 C ATOM 1053 CG ASN A 124 8.283 15.865 23.502 1.00 14.49 C ATOM 1054 OD1 ASN A 124 7.405 16.709 23.339 1.00 14.62 O ATOM 1055 ND2 ASN A 124 8.604 15.397 24.703 1.00 16.02 N ATOM 0 H ASN A 124 9.745 14.147 20.379 1.00 12.90 H new ATOM 0 HA ASN A 124 7.337 14.885 21.210 1.00 12.00 H new ATOM 0 HB2 ASN A 124 9.366 14.392 22.537 1.00 13.75 H new ATOM 0 HB3 ASN A 124 9.849 15.824 22.153 1.00 13.75 H new ATOM 0 HD21 ASN A 124 8.192 15.685 25.401 1.00 16.02 H new ATOM 0 HD22 ASN A 124 9.224 14.806 24.783 1.00 16.02 H new ATOM 1056 N THR A 125 6.740 17.024 20.281 1.00 15.36 N ATOM 1057 CA THR A 125 6.431 18.253 19.524 1.00 17.50 C ATOM 1058 C THR A 125 7.009 19.462 20.296 1.00 17.41 C ATOM 1059 O THR A 125 7.189 20.539 19.725 1.00 16.97 O ATOM 1060 CB THR A 125 4.922 18.368 19.264 1.00 16.83 C ATOM 1061 OG1 THR A 125 4.195 18.281 20.461 1.00 19.89 O ATOM 1062 CG2 THR A 125 4.460 17.196 18.415 1.00 19.68 C ATOM 0 H THR A 125 6.060 16.611 20.607 1.00 15.36 H new ATOM 0 HA THR A 125 6.847 18.228 18.648 1.00 17.50 H new ATOM 0 HB THR A 125 4.771 19.222 18.828 1.00 16.83 H new ATOM 0 HG1 THR A 125 3.605 17.688 20.388 1.00 19.89 H new ATOM 0 HG21 THR A 125 3.507 17.270 18.252 1.00 19.68 H new ATOM 0 HG22 THR A 125 4.934 17.203 17.569 1.00 19.68 H new ATOM 0 HG23 THR A 125 4.644 16.366 18.882 1.00 19.68 H new ATOM 1063 N LYS A 127 7.244 19.248 21.694 1.00 14.94 N ATOM 1064 CA LYS A 127 7.836 20.435 22.409 1.00 16.37 C ATOM 1065 C LYS A 127 9.185 20.911 21.862 1.00 17.63 C ATOM 1066 O LYS A 127 9.635 22.033 22.216 1.00 19.05 O ATOM 1067 CB LYS A 127 7.904 20.200 23.926 1.00 17.77 C ATOM 1068 CG LYS A 127 9.086 19.397 24.396 1.00 19.49 C ATOM 1069 CD LYS A 127 8.956 18.970 25.884 1.00 23.03 C ATOM 1070 CE LYS A 127 9.616 19.988 26.823 1.00 29.69 C ATOM 1071 NZ LYS A 127 9.301 19.745 28.279 1.00 32.55 N ATOM 0 H LYS A 127 7.088 18.537 22.152 1.00 14.94 H new ATOM 0 HA LYS A 127 7.221 21.163 22.229 1.00 16.37 H new ATOM 0 HB2 LYS A 127 7.918 21.061 24.372 1.00 17.77 H new ATOM 0 HB3 LYS A 127 7.092 19.749 24.206 1.00 17.77 H new ATOM 0 HG2 LYS A 127 9.178 18.606 23.842 1.00 19.49 H new ATOM 0 HG3 LYS A 127 9.895 19.919 24.281 1.00 19.49 H new ATOM 0 HD2 LYS A 127 8.018 18.877 26.114 1.00 23.03 H new ATOM 0 HD3 LYS A 127 9.366 18.100 26.009 1.00 23.03 H new ATOM 0 HE2 LYS A 127 10.577 19.960 26.697 1.00 29.69 H new ATOM 0 HE3 LYS A 127 9.324 20.880 26.580 1.00 29.69 H new ATOM 0 HZ1 LYS A 127 9.707 20.361 28.777 1.00 32.55 H new ATOM 0 HZ2 LYS A 127 8.421 19.794 28.405 1.00 32.55 H new ATOM 0 HZ3 LYS A 127 9.589 18.936 28.514 1.00 32.55 H new ATOM 1072 N TYR A 128 9.862 20.092 21.045 1.00 14.46 N ATOM 1073 CA TYR A 128 11.200 20.417 20.502 1.00 13.69 C ATOM 1074 C TYR A 128 11.228 20.851 19.064 1.00 16.06 C ATOM 1075 O TYR A 128 12.328 21.032 18.526 1.00 15.64 O ATOM 1076 CB TYR A 128 12.192 19.287 20.702 1.00 13.89 C ATOM 1077 CG TYR A 128 12.304 18.943 22.149 1.00 13.08 C ATOM 1078 CD1 TYR A 128 12.675 19.926 23.077 1.00 16.13 C ATOM 1079 CD2 TYR A 128 12.070 17.682 22.617 1.00 14.68 C ATOM 1080 CE1 TYR A 128 12.805 19.623 24.423 1.00 15.23 C ATOM 1081 CE2 TYR A 128 12.183 17.365 23.953 1.00 15.08 C ATOM 1082 CZ TYR A 128 12.574 18.380 24.863 1.00 15.91 C ATOM 1083 OH TYR A 128 12.689 18.027 26.162 1.00 16.31 O ATOM 0 H TYR A 128 9.560 19.329 20.787 1.00 14.46 H new ATOM 0 HA TYR A 128 11.464 21.189 21.026 1.00 13.69 H new ATOM 0 HB2 TYR A 128 11.909 18.507 20.199 1.00 13.89 H new ATOM 0 HB3 TYR A 128 13.061 19.547 20.357 1.00 13.89 H new ATOM 0 HD1 TYR A 128 12.836 20.794 22.785 1.00 16.13 H new ATOM 0 HD2 TYR A 128 11.827 17.016 22.015 1.00 14.68 H new ATOM 0 HE1 TYR A 128 13.054 20.287 25.024 1.00 15.23 H new ATOM 0 HE2 TYR A 128 12.006 16.502 24.252 1.00 15.08 H new ATOM 0 HH TYR A 128 12.931 17.224 26.214 1.00 16.31 H new ATOM 1084 N GLY A 129 10.056 20.934 18.466 1.00 15.58 N ATOM 1085 CA GLY A 129 9.849 21.661 17.196 1.00 15.82 C ATOM 1086 C GLY A 129 10.135 20.825 15.983 1.00 17.67 C ATOM 1087 O GLY A 129 9.417 20.960 14.990 1.00 19.01 O ATOM 0 H GLY A 129 9.341 20.571 18.778 1.00 15.58 H new ATOM 0 HA2 GLY A 129 8.932 21.976 17.156 1.00 15.82 H new ATOM 0 HA3 GLY A 129 10.419 22.446 17.183 1.00 15.82 H new ATOM 1088 N ASP A 130 11.128 19.941 16.072 1.00 16.41 N ATOM 1089 CA ASP A 130 11.303 19.011 14.962 1.00 17.71 C ATOM 1090 C ASP A 130 12.070 17.800 15.440 1.00 18.70 C ATOM 1091 O ASP A 130 12.557 17.755 16.580 1.00 16.04 O ATOM 1092 CB ASP A 130 11.866 19.638 13.684 1.00 20.97 C ATOM 1093 CG ASP A 130 13.322 20.058 13.799 1.00 23.30 C ATOM 1094 OD1 ASP A 130 13.965 19.873 14.858 1.00 25.75 O ATOM 1095 OD2 ASP A 130 13.819 20.593 12.788 1.00 23.59 O ATOM 0 H ASP A 130 11.681 19.864 16.726 1.00 16.41 H new ATOM 0 HA ASP A 130 10.421 18.724 14.679 1.00 17.71 H new ATOM 0 HB2 ASP A 130 11.777 19.003 12.956 1.00 20.97 H new ATOM 0 HB3 ASP A 130 11.332 20.413 13.451 1.00 20.97 H new ATOM 1096 N PHE A 131 12.190 16.831 14.551 1.00 17.52 N ATOM 1097 CA PHE A 131 12.874 15.619 14.897 1.00 18.34 C ATOM 1098 C PHE A 131 14.350 15.839 15.231 1.00 16.53 C ATOM 1099 O PHE A 131 14.910 15.242 16.181 1.00 16.18 O ATOM 1100 CB PHE A 131 12.766 14.633 13.700 1.00 15.61 C ATOM 1101 CG PHE A 131 13.567 13.365 13.880 1.00 18.38 C ATOM 1102 CD1 PHE A 131 13.006 12.285 14.523 1.00 18.27 C ATOM 1103 CD2 PHE A 131 14.865 13.289 13.413 1.00 21.19 C ATOM 1104 CE1 PHE A 131 13.741 11.121 14.718 1.00 20.55 C ATOM 1105 CE2 PHE A 131 15.624 12.116 13.570 1.00 20.77 C ATOM 1106 CZ PHE A 131 15.047 11.058 14.235 1.00 21.35 C ATOM 0 H PHE A 131 11.882 16.861 13.748 1.00 17.52 H new ATOM 0 HA PHE A 131 12.453 15.262 15.695 1.00 18.34 H new ATOM 0 HB2 PHE A 131 11.834 14.400 13.567 1.00 15.61 H new ATOM 0 HB3 PHE A 131 13.064 15.082 12.894 1.00 15.61 H new ATOM 0 HD1 PHE A 131 12.129 12.334 14.829 1.00 18.27 H new ATOM 0 HD2 PHE A 131 15.243 14.025 12.988 1.00 21.19 H new ATOM 0 HE1 PHE A 131 13.367 10.396 15.164 1.00 20.55 H new ATOM 0 HE2 PHE A 131 16.489 12.057 13.235 1.00 20.77 H new ATOM 0 HZ PHE A 131 15.541 10.281 14.365 1.00 21.35 H new ATOM 1107 N GLY A 132 15.009 16.641 14.408 1.00 17.68 N ATOM 1108 CA GLY A 132 16.467 16.816 14.605 1.00 17.77 C ATOM 1109 C GLY A 132 16.855 17.426 15.958 1.00 16.79 C ATOM 1110 O GLY A 132 17.866 17.046 16.540 1.00 22.48 O ATOM 0 H GLY A 132 14.663 17.080 13.755 1.00 17.68 H new ATOM 0 HA2 GLY A 132 16.900 15.953 14.516 1.00 17.77 H new ATOM 0 HA3 GLY A 132 16.812 17.381 13.897 1.00 17.77 H new ATOM 1111 N LYS A 133 16.075 18.397 16.436 1.00 17.10 N ATOM 1112 CA LYS A 133 16.258 18.887 17.808 1.00 19.08 C ATOM 1113 C LYS A 133 15.816 17.896 18.872 1.00 19.35 C ATOM 1114 O LYS A 133 16.485 17.751 19.909 1.00 20.34 O ATOM 1115 CB LYS A 133 15.510 20.186 17.985 1.00 22.87 C ATOM 1116 CG LYS A 133 16.070 21.340 17.165 1.00 27.87 C ATOM 1117 CD LYS A 133 17.601 21.415 17.202 1.00 32.74 C ATOM 1118 CE LYS A 133 18.095 21.613 18.646 1.00 36.22 C ATOM 1119 NZ LYS A 133 18.301 23.026 19.048 1.00 38.48 N ATOM 0 H LYS A 133 15.445 18.780 15.993 1.00 17.10 H new ATOM 0 HA LYS A 133 17.211 19.018 17.930 1.00 19.08 H new ATOM 0 HB2 LYS A 133 14.581 20.049 17.742 1.00 22.87 H new ATOM 0 HB3 LYS A 133 15.524 20.431 18.923 1.00 22.87 H new ATOM 0 HG2 LYS A 133 15.778 21.248 16.245 1.00 27.87 H new ATOM 0 HG3 LYS A 133 15.702 22.174 17.497 1.00 27.87 H new ATOM 0 HD2 LYS A 133 17.979 20.601 16.833 1.00 32.74 H new ATOM 0 HD3 LYS A 133 17.908 22.148 16.646 1.00 32.74 H new ATOM 0 HE2 LYS A 133 17.454 21.208 19.251 1.00 36.22 H new ATOM 0 HE3 LYS A 133 18.931 21.134 18.756 1.00 36.22 H new ATOM 0 HZ1 LYS A 133 18.585 23.057 19.891 1.00 38.48 H new ATOM 0 HZ2 LYS A 133 18.909 23.400 18.517 1.00 38.48 H new ATOM 0 HZ3 LYS A 133 17.533 23.470 18.978 1.00 38.48 H new ATOM 1120 N ALA A 134 14.675 17.222 18.621 1.00 16.19 N ATOM 1121 CA ALA A 134 14.177 16.287 19.629 1.00 16.40 C ATOM 1122 C ALA A 134 15.212 15.171 19.950 1.00 15.26 C ATOM 1123 O ALA A 134 15.332 14.756 21.117 1.00 15.29 O ATOM 1124 CB ALA A 134 12.823 15.662 19.171 1.00 14.13 C ATOM 0 H ALA A 134 14.201 17.291 17.907 1.00 16.19 H new ATOM 0 HA ALA A 134 14.032 16.790 20.445 1.00 16.40 H new ATOM 0 HB1 ALA A 134 12.506 15.045 19.849 1.00 14.13 H new ATOM 0 HB2 ALA A 134 12.168 16.366 19.043 1.00 14.13 H new ATOM 0 HB3 ALA A 134 12.952 15.186 18.336 1.00 14.13 H new ATOM 1125 N VAL A 135 15.956 14.650 18.953 1.00 15.01 N ATOM 1126 CA VAL A 135 16.870 13.523 19.239 1.00 18.69 C ATOM 1127 C VAL A 135 18.043 13.921 20.141 1.00 17.49 C ATOM 1128 O VAL A 135 18.757 13.066 20.640 1.00 16.75 O ATOM 1129 CB VAL A 135 17.409 12.791 17.969 1.00 19.65 C ATOM 1130 CG1 VAL A 135 16.228 12.279 17.181 1.00 22.09 C ATOM 1131 CG2 VAL A 135 18.383 13.650 17.137 1.00 20.22 C ATOM 0 H VAL A 135 15.948 14.922 18.137 1.00 15.01 H new ATOM 0 HA VAL A 135 16.308 12.892 19.716 1.00 18.69 H new ATOM 0 HB VAL A 135 17.954 12.037 18.242 1.00 19.65 H new ATOM 0 HG11 VAL A 135 16.543 11.820 16.387 1.00 22.09 H new ATOM 0 HG12 VAL A 135 15.716 11.663 17.728 1.00 22.09 H new ATOM 0 HG13 VAL A 135 15.664 13.024 16.921 1.00 22.09 H new ATOM 0 HG21 VAL A 135 18.682 13.144 16.365 1.00 20.22 H new ATOM 0 HG22 VAL A 135 17.932 14.456 16.840 1.00 20.22 H new ATOM 0 HG23 VAL A 135 19.148 13.891 17.682 1.00 20.22 H new ATOM 1132 N AGLN A 136 18.227 15.220 20.355 0.50 17.10 N ATOM 1133 N BGLN A 136 18.163 15.220 20.403 0.50 16.60 N ATOM 1134 CA AGLN A 136 19.309 15.637 21.232 0.50 18.19 C ATOM 1135 CA BGLN A 136 19.233 15.732 21.250 0.50 17.54 C ATOM 1136 C AGLN A 136 18.762 15.944 22.660 0.50 17.63 C ATOM 1137 C BGLN A 136 18.817 15.743 22.733 0.50 17.17 C ATOM 1138 O AGLN A 136 19.412 16.632 23.468 0.50 17.83 O ATOM 1139 O BGLN A 136 19.591 16.021 23.648 0.50 18.52 O ATOM 1140 CB AGLN A 136 20.174 16.772 20.601 0.50 18.74 C ATOM 1141 CB BGLN A 136 19.662 17.109 20.735 0.50 17.61 C ATOM 1142 CG AGLN A 136 20.739 16.562 19.165 0.50 22.22 C ATOM 1143 CG BGLN A 136 20.075 17.047 19.279 0.50 21.02 C ATOM 1144 CD AGLN A 136 21.739 15.391 18.925 0.50 24.04 C ATOM 1145 CD BGLN A 136 20.582 18.353 18.745 0.50 22.29 C ATOM 1146 OE1AGLN A 136 22.651 15.120 19.719 0.50 26.90 O ATOM 1147 OE1BGLN A 136 21.505 18.922 19.292 0.50 26.44 O ATOM 1148 NE2AGLN A 136 21.584 14.721 17.786 0.50 23.95 N ATOM 1149 NE2BGLN A 136 19.994 18.822 17.663 0.50 27.73 N ATOM 0 H AGLN A 136 17.755 15.854 20.015 0.50 16.60 H new ATOM 0 H BGLN A 136 17.631 15.823 20.098 0.50 16.60 H new ATOM 0 HA AGLN A 136 19.933 14.902 21.338 0.50 17.54 H new ATOM 0 HA BGLN A 136 20.002 15.143 21.202 0.50 17.54 H new ATOM 0 HB2AGLN A 136 19.639 17.581 20.592 0.50 17.61 H new ATOM 0 HB2BGLN A 136 18.931 17.738 20.840 0.50 17.61 H new ATOM 0 HB3AGLN A 136 20.925 16.935 21.193 0.50 17.61 H new ATOM 0 HB3BGLN A 136 20.401 17.441 21.269 0.50 17.61 H new ATOM 0 HG2AGLN A 136 19.986 16.434 18.567 0.50 21.02 H new ATOM 0 HG2BGLN A 136 20.765 16.373 19.174 0.50 21.02 H new ATOM 0 HG3AGLN A 136 21.178 17.385 18.897 0.50 21.02 H new ATOM 0 HG3BGLN A 136 19.316 16.761 18.747 0.50 21.02 H new ATOM 0 HE21AGLN A 136 20.944 14.927 17.250 0.50 27.73 H new ATOM 0 HE21BGLN A 136 19.343 18.389 17.305 0.50 27.73 H new ATOM 0 HE22AGLN A 136 22.124 14.082 17.586 0.50 27.73 H new ATOM 0 HE22BGLN A 136 20.261 19.561 17.315 0.50 27.73 H new ATOM 1150 N GLN A 137 17.555 15.438 22.966 1.00 17.17 N ATOM 1151 CA GLN A 137 16.968 15.595 24.321 1.00 16.24 C ATOM 1152 C GLN A 137 16.647 14.300 24.950 1.00 15.56 C ATOM 1153 O GLN A 137 16.200 13.348 24.290 1.00 13.94 O ATOM 1154 CB GLN A 137 15.664 16.389 24.219 1.00 17.97 C ATOM 1155 CG GLN A 137 15.707 17.610 23.302 1.00 19.91 C ATOM 1156 CD GLN A 137 16.716 18.646 23.764 1.00 24.95 C ATOM 1157 OE1 GLN A 137 17.020 18.731 24.953 1.00 23.32 O ATOM 1158 NE2 GLN A 137 17.282 19.409 22.801 1.00 29.08 N ATOM 0 H AGLN A 137 17.061 15.004 22.412 0.50 17.17 H new ATOM 0 H BGLN A 137 17.011 15.140 22.371 0.50 17.17 H new ATOM 0 HA GLN A 137 17.630 16.051 24.864 1.00 16.24 H new ATOM 0 HB2 GLN A 137 14.965 15.794 23.906 1.00 17.97 H new ATOM 0 HB3 GLN A 137 15.411 16.681 25.109 1.00 17.97 H new ATOM 0 HG2 GLN A 137 15.928 17.327 22.401 1.00 19.91 H new ATOM 0 HG3 GLN A 137 14.826 18.014 23.265 1.00 19.91 H new ATOM 0 HE21 GLN A 137 17.039 19.317 21.981 1.00 29.08 H new ATOM 0 HE22 GLN A 137 17.884 19.986 23.009 1.00 29.08 H new ATOM 1159 N PRO A 138 16.665 14.230 26.270 1.00 15.37 N ATOM 1160 CA PRO A 138 16.480 12.927 26.934 1.00 18.29 C ATOM 1161 C PRO A 138 15.065 12.347 26.807 1.00 17.04 C ATOM 1162 O PRO A 138 14.885 11.117 26.951 1.00 16.82 O ATOM 1163 CB PRO A 138 16.755 13.233 28.391 1.00 19.78 C ATOM 1164 CG PRO A 138 17.512 14.504 28.364 1.00 22.67 C ATOM 1165 CD PRO A 138 17.010 15.307 27.218 1.00 20.52 C ATOM 0 HA PRO A 138 17.058 12.261 26.530 1.00 18.29 H new ATOM 0 HB2 PRO A 138 15.931 13.323 28.895 1.00 19.78 H new ATOM 0 HB3 PRO A 138 17.268 12.525 28.810 1.00 19.78 H new ATOM 0 HG2 PRO A 138 17.394 14.988 29.196 1.00 22.67 H new ATOM 0 HG3 PRO A 138 18.462 14.332 28.269 1.00 22.67 H new ATOM 0 HD2 PRO A 138 16.242 15.850 27.456 1.00 20.52 H new ATOM 0 HD3 PRO A 138 17.684 15.908 26.865 1.00 20.52 H new ATOM 1166 N ASP A 139 14.073 13.213 26.551 1.00 15.70 N ATOM 1167 CA ASP A 139 12.673 12.784 26.320 1.00 15.29 C ATOM 1168 C ASP A 139 12.235 13.140 24.878 1.00 14.13 C ATOM 1169 O ASP A 139 11.085 13.551 24.680 1.00 14.41 O ATOM 1170 CB ASP A 139 11.721 13.417 27.306 1.00 16.61 C ATOM 1171 CG ASP A 139 11.838 14.939 27.341 1.00 15.05 C ATOM 1172 OD1 ASP A 139 12.796 15.538 26.752 1.00 18.22 O ATOM 1173 OD2 ASP A 139 10.912 15.536 27.953 1.00 18.56 O ATOM 0 H ASP A 139 14.188 14.064 26.506 1.00 15.70 H new ATOM 0 HA ASP A 139 12.641 11.823 26.445 1.00 15.29 H new ATOM 0 HB2 ASP A 139 10.811 13.171 27.076 1.00 16.61 H new ATOM 0 HB3 ASP A 139 11.895 13.062 28.192 1.00 16.61 H new ATOM 1174 N GLY A 140 13.171 13.121 23.926 1.00 13.74 N ATOM 1175 CA GLY A 140 12.903 13.649 22.582 1.00 12.03 C ATOM 1176 C GLY A 140 12.071 12.678 21.746 1.00 11.27 C ATOM 1177 O GLY A 140 11.311 13.135 20.943 1.00 11.30 O ATOM 0 H GLY A 140 13.965 12.808 24.036 1.00 13.74 H new ATOM 0 HA2 GLY A 140 12.436 14.496 22.655 1.00 12.03 H new ATOM 0 HA3 GLY A 140 13.743 13.826 22.131 1.00 12.03 H new ATOM 1178 N LEU A 141 12.259 11.352 21.956 1.00 10.55 N ATOM 1179 CA LEU A 141 11.542 10.401 21.117 1.00 10.01 C ATOM 1180 C LEU A 141 10.665 9.446 21.951 1.00 10.44 C ATOM 1181 O LEU A 141 10.947 9.143 23.117 1.00 11.16 O ATOM 1182 CB LEU A 141 12.531 9.498 20.331 1.00 11.54 C ATOM 1183 CG LEU A 141 13.397 10.180 19.322 1.00 13.28 C ATOM 1184 CD1 LEU A 141 14.101 9.131 18.428 1.00 14.59 C ATOM 1185 CD2 LEU A 141 12.665 11.142 18.371 1.00 15.66 C ATOM 0 H LEU A 141 12.775 11.010 22.553 1.00 10.55 H new ATOM 0 HA LEU A 141 10.995 10.936 20.521 1.00 10.01 H new ATOM 0 HB2 LEU A 141 13.106 9.048 20.970 1.00 11.54 H new ATOM 0 HB3 LEU A 141 12.019 8.810 19.877 1.00 11.54 H new ATOM 0 HG LEU A 141 14.014 10.703 19.857 1.00 13.28 H new ATOM 0 HD11 LEU A 141 14.660 9.583 17.777 1.00 14.59 H new ATOM 0 HD12 LEU A 141 14.651 8.552 18.979 1.00 14.59 H new ATOM 0 HD13 LEU A 141 13.434 8.599 17.967 1.00 14.59 H new ATOM 0 HD21 LEU A 141 13.302 11.536 17.755 1.00 15.66 H new ATOM 0 HD22 LEU A 141 11.992 10.654 17.871 1.00 15.66 H new ATOM 0 HD23 LEU A 141 12.238 11.844 18.886 1.00 15.66 H new ATOM 1186 N ALA A 142 9.632 8.949 21.294 1.00 11.18 N ATOM 1187 CA ALA A 142 8.879 7.821 21.847 1.00 9.85 C ATOM 1188 C ALA A 142 8.812 6.827 20.710 1.00 10.39 C ATOM 1189 O ALA A 142 8.374 7.124 19.616 1.00 11.65 O ATOM 1190 CB ALA A 142 7.487 8.184 22.356 1.00 10.61 C ATOM 0 H ALA A 142 9.348 9.240 20.536 1.00 11.18 H new ATOM 0 HA ALA A 142 9.319 7.473 22.638 1.00 9.85 H new ATOM 0 HB1 ALA A 142 7.053 7.390 22.705 1.00 10.61 H new ATOM 0 HB2 ALA A 142 7.562 8.847 23.060 1.00 10.61 H new ATOM 0 HB3 ALA A 142 6.960 8.546 21.627 1.00 10.61 H new ATOM 1191 N VAL A 143 9.313 5.613 20.989 1.00 10.43 N ATOM 1192 CA VAL A 143 9.264 4.577 19.963 1.00 10.19 C ATOM 1193 C VAL A 143 8.284 3.485 20.399 1.00 10.30 C ATOM 1194 O VAL A 143 8.414 2.921 21.489 1.00 10.27 O ATOM 1195 CB VAL A 143 10.654 4.009 19.620 1.00 11.29 C ATOM 1196 CG1 VAL A 143 10.544 2.955 18.486 1.00 13.10 C ATOM 1197 CG2 VAL A 143 11.525 5.161 19.138 1.00 11.51 C ATOM 0 H VAL A 143 9.670 5.382 21.736 1.00 10.43 H new ATOM 0 HA VAL A 143 8.946 4.978 19.139 1.00 10.19 H new ATOM 0 HB VAL A 143 11.036 3.584 20.404 1.00 11.29 H new ATOM 0 HG11 VAL A 143 11.426 2.607 18.281 1.00 13.10 H new ATOM 0 HG12 VAL A 143 9.969 2.229 18.774 1.00 13.10 H new ATOM 0 HG13 VAL A 143 10.169 3.370 17.694 1.00 13.10 H new ATOM 0 HG21 VAL A 143 12.408 4.828 18.915 1.00 11.51 H new ATOM 0 HG22 VAL A 143 11.124 5.563 18.352 1.00 11.51 H new ATOM 0 HG23 VAL A 143 11.599 5.827 19.840 1.00 11.51 H new ATOM 1198 N LEU A 144 7.293 3.190 19.556 1.00 10.36 N ATOM 1199 CA LEU A 144 6.293 2.147 19.876 1.00 9.93 C ATOM 1200 C LEU A 144 6.848 0.898 19.206 1.00 10.21 C ATOM 1201 O LEU A 144 6.976 0.884 17.968 1.00 9.85 O ATOM 1202 CB LEU A 144 4.904 2.589 19.321 1.00 12.17 C ATOM 1203 CG LEU A 144 3.749 1.617 19.425 1.00 12.13 C ATOM 1204 CD1 LEU A 144 3.509 1.249 20.879 1.00 11.83 C ATOM 1205 CD2 LEU A 144 2.497 2.270 18.834 1.00 13.89 C ATOM 0 H LEU A 144 7.176 3.576 18.796 1.00 10.36 H new ATOM 0 HA LEU A 144 6.153 1.990 20.823 1.00 9.93 H new ATOM 0 HB2 LEU A 144 4.647 3.404 19.780 1.00 12.17 H new ATOM 0 HB3 LEU A 144 5.018 2.815 18.385 1.00 12.17 H new ATOM 0 HG LEU A 144 3.957 0.807 18.933 1.00 12.13 H new ATOM 0 HD11 LEU A 144 2.768 0.626 20.937 1.00 11.83 H new ATOM 0 HD12 LEU A 144 4.307 0.836 21.245 1.00 11.83 H new ATOM 0 HD13 LEU A 144 3.299 2.049 21.385 1.00 11.83 H new ATOM 0 HD21 LEU A 144 1.750 1.654 18.896 1.00 13.89 H new ATOM 0 HD22 LEU A 144 2.290 3.079 19.328 1.00 13.89 H new ATOM 0 HD23 LEU A 144 2.656 2.492 17.903 1.00 13.89 H new ATOM 1206 N GLY A 145 7.090 -0.154 19.999 1.00 10.24 N ATOM 1207 CA GLY A 145 7.586 -1.401 19.413 1.00 8.69 C ATOM 1208 C GLY A 145 6.527 -2.477 19.479 1.00 8.83 C ATOM 1209 O GLY A 145 5.825 -2.579 20.464 1.00 10.35 O ATOM 0 H GLY A 145 6.977 -0.166 20.851 1.00 10.24 H new ATOM 0 HA2 GLY A 145 7.844 -1.250 18.490 1.00 8.69 H new ATOM 0 HA3 GLY A 145 8.381 -1.693 19.886 1.00 8.69 H new ATOM 1210 N ILE A 146 6.457 -3.225 18.404 1.00 9.47 N ATOM 1211 CA ILE A 146 5.417 -4.265 18.251 1.00 9.42 C ATOM 1212 C ILE A 146 6.135 -5.497 17.741 1.00 9.65 C ATOM 1213 O ILE A 146 6.743 -5.450 16.694 1.00 10.56 O ATOM 1214 CB ILE A 146 4.352 -3.788 17.232 1.00 9.79 C ATOM 1215 CG1 ILE A 146 3.775 -2.488 17.725 1.00 11.00 C ATOM 1216 CG2 ILE A 146 3.298 -4.894 17.061 1.00 11.02 C ATOM 1217 CD1 ILE A 146 2.723 -1.911 16.773 1.00 11.04 C ATOM 0 H ILE A 146 6.997 -3.160 17.737 1.00 9.47 H new ATOM 0 HA ILE A 146 4.958 -4.450 19.085 1.00 9.42 H new ATOM 0 HB ILE A 146 4.734 -3.624 16.356 1.00 9.79 H new ATOM 0 HG12 ILE A 146 3.375 -2.626 18.598 1.00 11.00 H new ATOM 0 HG13 ILE A 146 4.491 -1.843 17.840 1.00 11.00 H new ATOM 0 HG21 ILE A 146 2.626 -4.605 16.424 1.00 11.02 H new ATOM 0 HG22 ILE A 146 3.726 -5.701 16.735 1.00 11.02 H new ATOM 0 HG23 ILE A 146 2.877 -5.075 17.916 1.00 11.02 H new ATOM 0 HD11 ILE A 146 2.383 -1.077 17.133 1.00 11.04 H new ATOM 0 HD12 ILE A 146 3.126 -1.748 15.906 1.00 11.04 H new ATOM 0 HD13 ILE A 146 1.993 -2.542 16.676 1.00 11.04 H new ATOM 1218 N PHE A 147 5.905 -6.622 18.426 1.00 10.94 N ATOM 1219 CA PHE A 147 6.566 -7.875 17.977 1.00 11.11 C ATOM 1220 C PHE A 147 5.791 -8.521 16.832 1.00 11.56 C ATOM 1221 O PHE A 147 4.539 -8.409 16.802 1.00 11.94 O ATOM 1222 CB PHE A 147 6.576 -8.808 19.156 1.00 11.56 C ATOM 1223 CG PHE A 147 7.410 -8.349 20.300 1.00 9.93 C ATOM 1224 CD1 PHE A 147 8.805 -8.226 20.129 1.00 11.52 C ATOM 1225 CD2 PHE A 147 6.864 -8.128 21.563 1.00 13.00 C ATOM 1226 CE1 PHE A 147 9.610 -7.872 21.201 1.00 10.79 C ATOM 1227 CE2 PHE A 147 7.657 -7.721 22.631 1.00 11.97 C ATOM 1228 CZ PHE A 147 9.049 -7.611 22.453 1.00 11.88 C ATOM 0 H PHE A 147 5.399 -6.691 19.118 1.00 10.94 H new ATOM 0 HA PHE A 147 7.462 -7.685 17.659 1.00 11.11 H new ATOM 0 HB2 PHE A 147 5.665 -8.931 19.464 1.00 11.56 H new ATOM 0 HB3 PHE A 147 6.897 -9.676 18.864 1.00 11.56 H new ATOM 0 HD1 PHE A 147 9.186 -8.383 19.295 1.00 11.52 H new ATOM 0 HD2 PHE A 147 5.952 -8.255 21.694 1.00 13.00 H new ATOM 0 HE1 PHE A 147 10.531 -7.808 21.085 1.00 10.79 H new ATOM 0 HE2 PHE A 147 7.272 -7.524 23.454 1.00 11.97 H new ATOM 0 HZ PHE A 147 9.593 -7.365 23.166 1.00 11.88 H new ATOM 1229 N LEU A 148 6.521 -9.182 15.959 1.00 11.01 N ATOM 1230 CA LEU A 148 5.919 -9.997 14.908 1.00 10.88 C ATOM 1231 C LEU A 148 6.194 -11.451 15.161 1.00 11.56 C ATOM 1232 O LEU A 148 7.349 -11.839 15.311 1.00 12.57 O ATOM 1233 CB LEU A 148 6.465 -9.640 13.528 1.00 11.18 C ATOM 1234 CG LEU A 148 5.963 -8.317 12.857 1.00 11.29 C ATOM 1235 CD1 LEU A 148 6.175 -7.004 13.718 1.00 13.55 C ATOM 1236 CD2 LEU A 148 6.453 -8.150 11.434 1.00 12.23 C ATOM 0 H LEU A 148 7.381 -9.176 15.952 1.00 11.01 H new ATOM 0 HA LEU A 148 4.965 -9.821 14.924 1.00 10.88 H new ATOM 0 HB2 LEU A 148 7.431 -9.591 13.595 1.00 11.18 H new ATOM 0 HB3 LEU A 148 6.259 -10.374 12.928 1.00 11.18 H new ATOM 0 HG LEU A 148 5.001 -8.434 12.817 1.00 11.29 H new ATOM 0 HD11 LEU A 148 5.837 -6.238 13.228 1.00 13.55 H new ATOM 0 HD12 LEU A 148 5.697 -7.087 14.558 1.00 13.55 H new ATOM 0 HD13 LEU A 148 7.121 -6.882 13.896 1.00 13.55 H new ATOM 0 HD21 LEU A 148 6.113 -7.318 11.070 1.00 12.23 H new ATOM 0 HD22 LEU A 148 7.423 -8.134 11.425 1.00 12.23 H new ATOM 0 HD23 LEU A 148 6.137 -8.891 10.894 1.00 12.23 H new ATOM 1237 N LYS A 149 5.151 -12.283 15.049 1.00 12.41 N ATOM 1238 CA LYS A 149 5.383 -13.732 15.003 1.00 13.79 C ATOM 1239 C LYS A 149 4.902 -14.244 13.644 1.00 13.03 C ATOM 1240 O LYS A 149 4.107 -13.587 12.961 1.00 13.92 O ATOM 1241 CB LYS A 149 4.606 -14.442 16.139 1.00 16.81 C ATOM 1242 CG LYS A 149 3.104 -14.416 15.999 1.00 19.20 C ATOM 1243 CD LYS A 149 2.580 -15.138 17.240 1.00 26.89 C ATOM 1244 CE LYS A 149 1.083 -14.965 17.354 1.00 32.18 C ATOM 1245 NZ LYS A 149 0.498 -16.198 17.972 1.00 43.72 N ATOM 0 H LYS A 149 4.328 -12.039 15.000 1.00 12.41 H new ATOM 0 HA LYS A 149 6.327 -13.920 15.123 1.00 13.79 H new ATOM 0 HB2 LYS A 149 4.897 -15.366 16.183 1.00 16.81 H new ATOM 0 HB3 LYS A 149 4.846 -14.029 16.983 1.00 16.81 H new ATOM 0 HG2 LYS A 149 2.771 -13.506 15.955 1.00 19.20 H new ATOM 0 HG3 LYS A 149 2.819 -14.862 15.186 1.00 19.20 H new ATOM 0 HD2 LYS A 149 2.800 -16.081 17.190 1.00 26.89 H new ATOM 0 HD3 LYS A 149 3.014 -14.787 18.033 1.00 26.89 H new ATOM 0 HE2 LYS A 149 0.875 -14.187 17.896 1.00 32.18 H new ATOM 0 HE3 LYS A 149 0.695 -14.812 16.478 1.00 32.18 H new ATOM 0 HZ1 LYS A 149 -0.384 -16.105 18.043 1.00 43.72 H new ATOM 0 HZ2 LYS A 149 0.681 -16.903 17.460 1.00 43.72 H new ATOM 0 HZ3 LYS A 149 0.849 -16.320 18.781 1.00 43.72 H new ATOM 1246 N VAL A 150 5.359 -15.428 13.234 1.00 12.78 N ATOM 1247 CA VAL A 150 4.966 -15.969 11.928 1.00 13.12 C ATOM 1248 C VAL A 150 3.784 -16.888 12.102 1.00 14.11 C ATOM 1249 O VAL A 150 3.814 -17.822 12.956 1.00 16.07 O ATOM 1250 CB VAL A 150 6.137 -16.783 11.363 1.00 14.72 C ATOM 1251 CG1 VAL A 150 5.721 -17.644 10.138 1.00 14.74 C ATOM 1252 CG2 VAL A 150 7.206 -15.814 10.978 1.00 13.11 C ATOM 0 H VAL A 150 5.890 -15.929 13.689 1.00 12.78 H new ATOM 0 HA VAL A 150 4.734 -15.243 11.328 1.00 13.12 H new ATOM 0 HB VAL A 150 6.451 -17.406 12.038 1.00 14.72 H new ATOM 0 HG11 VAL A 150 6.489 -18.140 9.815 1.00 14.74 H new ATOM 0 HG12 VAL A 150 5.023 -18.265 10.400 1.00 14.74 H new ATOM 0 HG13 VAL A 150 5.390 -17.066 9.433 1.00 14.74 H new ATOM 0 HG21 VAL A 150 7.965 -16.297 10.615 1.00 13.11 H new ATOM 0 HG22 VAL A 150 6.862 -15.202 10.308 1.00 13.11 H new ATOM 0 HG23 VAL A 150 7.486 -15.313 11.760 1.00 13.11 H new ATOM 1253 N GLY A 151 2.746 -16.635 11.314 1.00 13.98 N ATOM 1254 CA GLY A 151 1.478 -17.351 11.490 1.00 16.24 C ATOM 1255 C GLY A 151 0.607 -16.921 10.348 1.00 16.19 C ATOM 1256 O GLY A 151 1.007 -17.041 9.205 1.00 17.08 O ATOM 0 H GLY A 151 2.750 -16.059 10.676 1.00 13.98 H new ATOM 0 HA2 GLY A 151 1.616 -18.311 11.481 1.00 16.24 H new ATOM 0 HA3 GLY A 151 1.069 -17.131 12.342 1.00 16.24 H new ATOM 1257 N ASER A 152 -0.581 -16.405 10.669 0.50 17.23 N ATOM 1258 N BSER A 152 -0.573 -16.397 10.677 0.50 16.96 N ATOM 1259 CA ASER A 152 -1.463 -15.863 9.636 0.50 17.63 C ATOM 1260 CA BSER A 152 -1.493 -15.852 9.679 0.50 17.20 C ATOM 1261 C ASER A 152 -0.827 -14.594 9.075 0.50 17.88 C ATOM 1262 C BSER A 152 -0.919 -14.547 9.121 0.50 17.52 C ATOM 1263 O ASER A 152 -0.008 -13.948 9.736 0.50 17.62 O ATOM 1264 O BSER A 152 -0.233 -13.817 9.854 0.50 17.26 O ATOM 1265 CB ASER A 152 -2.862 -15.556 10.169 0.50 20.01 C ATOM 1266 CB BSER A 152 -2.834 -15.563 10.323 0.50 19.26 C ATOM 1267 OG ASER A 152 -2.908 -14.350 10.913 0.50 20.85 O ATOM 1268 OG BSER A 152 -3.385 -16.740 10.893 0.50 19.42 O ATOM 0 H ASER A 152 -0.891 -16.360 11.470 0.50 16.96 H new ATOM 0 H BSER A 152 -0.863 -16.347 11.485 0.50 16.96 H new ATOM 0 HA ASER A 152 -1.568 -16.532 8.941 0.50 17.20 H new ATOM 0 HA BSER A 152 -1.608 -16.497 8.964 0.50 17.20 H new ATOM 0 HB2ASER A 152 -3.482 -15.498 9.426 0.50 19.26 H new ATOM 0 HB2BSER A 152 -2.728 -14.885 11.009 0.50 19.26 H new ATOM 0 HB3ASER A 152 -3.159 -16.290 10.730 0.50 19.26 H new ATOM 0 HB3BSER A 152 -3.445 -15.203 9.661 0.50 19.26 H new ATOM 0 HG ASER A 152 -3.025 -13.703 10.391 0.50 19.42 H new ATOM 0 HG BSER A 152 -4.126 -16.560 11.246 0.50 19.42 H new ATOM 1269 N ALA A 153 -1.181 -14.276 7.836 1.00 17.58 N ATOM 1270 CA ALA A 153 -0.758 -13.027 7.197 1.00 15.37 C ATOM 1271 C ALA A 153 -1.367 -11.820 7.888 1.00 15.12 C ATOM 1272 O ALA A 153 -2.460 -11.921 8.430 1.00 17.71 O ATOM 1273 CB ALA A 153 -1.115 -13.012 5.711 1.00 17.22 C ATOM 0 H AALA A 153 -1.673 -14.776 7.338 0.50 17.58 H new ATOM 0 H BALA A 153 -1.607 -14.810 7.314 0.50 17.58 H new ATOM 0 HA ALA A 153 0.207 -12.977 7.282 1.00 15.37 H new ATOM 0 HB1 ALA A 153 -0.823 -12.175 5.316 1.00 17.22 H new ATOM 0 HB2 ALA A 153 -0.673 -13.751 5.264 1.00 17.22 H new ATOM 0 HB3 ALA A 153 -2.075 -13.100 5.608 1.00 17.22 H new ATOM 1274 N LYS A 154 -0.641 -10.702 7.836 1.00 15.43 N ATOM 1275 CA LYS A 154 -1.179 -9.415 8.275 1.00 15.69 C ATOM 1276 C LYS A 154 -1.556 -8.649 6.975 1.00 15.65 C ATOM 1277 O LYS A 154 -0.669 -8.183 6.231 1.00 15.28 O ATOM 1278 CB LYS A 154 -0.104 -8.649 9.079 1.00 14.79 C ATOM 1279 CG LYS A 154 -0.719 -7.442 9.804 1.00 17.60 C ATOM 1280 CD LYS A 154 -1.692 -7.846 10.902 1.00 18.69 C ATOM 1281 CE LYS A 154 -1.887 -6.694 11.898 1.00 22.15 C ATOM 1282 NZ LYS A 154 -3.011 -7.032 12.768 1.00 24.75 N ATOM 0 H LYS A 154 0.169 -10.669 7.548 1.00 15.43 H new ATOM 0 HA LYS A 154 -1.951 -9.517 8.854 1.00 15.69 H new ATOM 0 HB2 LYS A 154 0.307 -9.244 9.725 1.00 14.79 H new ATOM 0 HB3 LYS A 154 0.599 -8.349 8.482 1.00 14.79 H new ATOM 0 HG2 LYS A 154 -0.009 -6.905 10.189 1.00 17.60 H new ATOM 0 HG3 LYS A 154 -1.180 -6.883 9.159 1.00 17.60 H new ATOM 0 HD2 LYS A 154 -2.545 -8.091 10.511 1.00 18.69 H new ATOM 0 HD3 LYS A 154 -1.357 -8.629 11.366 1.00 18.69 H new ATOM 0 HE2 LYS A 154 -1.082 -6.559 12.422 1.00 22.15 H new ATOM 0 HE3 LYS A 154 -2.061 -5.864 11.427 1.00 22.15 H new ATOM 0 HZ1 LYS A 154 -3.113 -6.396 13.382 1.00 24.75 H new ATOM 0 HZ2 LYS A 154 -3.754 -7.097 12.282 1.00 24.75 H new ATOM 0 HZ3 LYS A 154 -2.851 -7.809 13.171 1.00 24.75 H new ATOM 1283 N PRO A 155 -2.899 -8.502 6.718 1.00 16.10 N ATOM 1284 CA PRO A 155 -3.346 -7.922 5.433 1.00 15.73 C ATOM 1285 C PRO A 155 -2.827 -6.533 5.273 1.00 15.64 C ATOM 1286 O PRO A 155 -2.366 -6.167 4.206 1.00 17.50 O ATOM 1287 CB PRO A 155 -4.907 -7.955 5.560 1.00 17.38 C ATOM 1288 CG PRO A 155 -5.181 -9.131 6.474 1.00 19.43 C ATOM 1289 CD PRO A 155 -4.041 -9.061 7.485 1.00 16.98 C ATOM 0 HA PRO A 155 -3.026 -8.402 4.653 1.00 15.73 H new ATOM 0 HB2 PRO A 155 -5.250 -7.128 5.934 1.00 17.38 H new ATOM 0 HB3 PRO A 155 -5.330 -8.072 4.695 1.00 17.38 H new ATOM 0 HG2 PRO A 155 -6.047 -9.056 6.905 1.00 19.43 H new ATOM 0 HG3 PRO A 155 -5.178 -9.971 5.988 1.00 19.43 H new ATOM 0 HD2 PRO A 155 -4.271 -8.495 8.239 1.00 16.98 H new ATOM 0 HD3 PRO A 155 -3.831 -9.938 7.842 1.00 16.98 H new ATOM 1290 N GLY A 156 -2.797 -5.803 6.379 1.00 16.58 N ATOM 1291 CA GLY A 156 -2.326 -4.403 6.345 1.00 17.75 C ATOM 1292 C GLY A 156 -0.871 -4.176 6.108 1.00 19.25 C ATOM 1293 O GLY A 156 -0.434 -3.037 5.840 1.00 23.47 O ATOM 0 H GLY A 156 -3.039 -6.085 7.155 1.00 16.58 H new ATOM 0 HA2 GLY A 156 -2.819 -3.937 5.652 1.00 17.75 H new ATOM 0 HA3 GLY A 156 -2.561 -3.987 7.189 1.00 17.75 H new ATOM 1294 N LEU A 157 -0.089 -5.256 6.199 1.00 15.02 N ATOM 1295 CA LEU A 157 1.357 -5.240 5.867 1.00 14.77 C ATOM 1296 C LEU A 157 1.664 -5.438 4.384 1.00 13.82 C ATOM 1297 O LEU A 157 2.787 -5.204 3.890 1.00 14.33 O ATOM 1298 CB LEU A 157 2.115 -6.271 6.716 1.00 14.46 C ATOM 1299 CG LEU A 157 3.671 -6.418 6.545 1.00 13.99 C ATOM 1300 CD1 LEU A 157 4.397 -5.062 6.832 1.00 14.98 C ATOM 1301 CD2 LEU A 157 4.271 -7.543 7.430 1.00 12.94 C ATOM 0 H LEU A 157 -0.376 -6.025 6.455 1.00 15.02 H new ATOM 0 HA LEU A 157 1.665 -4.346 6.081 1.00 14.77 H new ATOM 0 HB2 LEU A 157 1.943 -6.064 7.648 1.00 14.46 H new ATOM 0 HB3 LEU A 157 1.720 -7.139 6.541 1.00 14.46 H new ATOM 0 HG LEU A 157 3.820 -6.670 5.620 1.00 13.99 H new ATOM 0 HD11 LEU A 157 5.354 -5.177 6.721 1.00 14.98 H new ATOM 0 HD12 LEU A 157 4.079 -4.387 6.213 1.00 14.98 H new ATOM 0 HD13 LEU A 157 4.209 -4.780 7.741 1.00 14.98 H new ATOM 0 HD21 LEU A 157 5.229 -7.591 7.287 1.00 12.94 H new ATOM 0 HD22 LEU A 157 4.093 -7.350 8.364 1.00 12.94 H new ATOM 0 HD23 LEU A 157 3.866 -8.392 7.193 1.00 12.94 H new ATOM 1302 N GLN A 158 0.703 -6.005 3.646 1.00 16.05 N ATOM 1303 CA GLN A 158 0.988 -6.443 2.272 1.00 17.30 C ATOM 1304 C GLN A 158 1.455 -5.334 1.335 1.00 17.13 C ATOM 1305 O GLN A 158 2.366 -5.550 0.522 1.00 16.83 O ATOM 1306 CB GLN A 158 -0.190 -7.277 1.747 1.00 20.78 C ATOM 1307 CG GLN A 158 0.182 -8.009 0.493 1.00 19.68 C ATOM 1308 CD GLN A 158 1.277 -9.027 0.740 1.00 19.78 C ATOM 1309 OE1 GLN A 158 1.351 -9.624 1.827 1.00 20.49 O ATOM 1310 NE2 GLN A 158 2.152 -9.228 -0.252 1.00 21.39 N ATOM 0 H GLN A 158 -0.103 -6.143 3.913 1.00 16.05 H new ATOM 0 HA GLN A 158 1.769 -7.018 2.298 1.00 17.30 H new ATOM 0 HB2 GLN A 158 -0.468 -7.912 2.425 1.00 20.78 H new ATOM 0 HB3 GLN A 158 -0.948 -6.697 1.574 1.00 20.78 H new ATOM 0 HG2 GLN A 158 -0.601 -8.456 0.135 1.00 19.68 H new ATOM 0 HG3 GLN A 158 0.477 -7.373 -0.178 1.00 19.68 H new ATOM 0 HE21 GLN A 158 2.070 -8.797 -0.992 1.00 21.39 H new ATOM 0 HE22 GLN A 158 2.796 -9.788 -0.150 1.00 21.39 H new ATOM 1311 N ALYS A 159 0.915 -4.110 1.466 0.50 17.73 N ATOM 1312 N BLYS A 159 0.896 -4.135 1.509 0.50 17.92 N ATOM 1313 CA ALYS A 159 1.360 -2.999 0.599 0.50 17.70 C ATOM 1314 CA BLYS A 159 1.275 -3.021 0.661 0.50 18.02 C ATOM 1315 C ALYS A 159 2.838 -2.758 0.785 0.50 17.36 C ATOM 1316 C BLYS A 159 2.740 -2.649 0.827 0.50 17.69 C ATOM 1317 O ALYS A 159 3.585 -2.518 -0.153 0.50 17.55 O ATOM 1318 O BLYS A 159 3.376 -2.212 -0.107 0.50 17.97 O ATOM 1319 CB ALYS A 159 0.530 -1.705 0.862 0.50 19.90 C ATOM 1320 CB BLYS A 159 0.295 -1.833 0.861 0.50 20.03 C ATOM 1321 CG ALYS A 159 0.907 -0.480 0.018 0.50 21.61 C ATOM 1322 CG BLYS A 159 -1.056 -2.071 0.199 0.50 21.81 C ATOM 1323 CD ALYS A 159 0.052 0.740 0.404 0.50 23.21 C ATOM 1324 CD BLYS A 159 -1.969 -0.873 0.360 0.50 24.74 C ATOM 1325 CE ALYS A 159 0.480 2.054 -0.266 0.50 21.74 C ATOM 1326 CE BLYS A 159 -3.407 -1.153 -0.093 0.50 25.59 C ATOM 1327 NZ ALYS A 159 0.111 2.027 -1.721 0.50 22.03 N ATOM 1328 NZ BLYS A 159 -4.260 0.081 -0.118 0.50 25.36 N ATOM 0 H ALYS A 159 0.305 -3.904 2.036 0.50 17.92 H new ATOM 0 H BLYS A 159 0.304 -3.954 2.106 0.50 17.92 H new ATOM 0 HA ALYS A 159 1.206 -3.249 -0.326 0.50 18.02 H new ATOM 0 HA BLYS A 159 1.195 -3.293 -0.267 0.50 18.02 H new ATOM 0 HB2ALYS A 159 -0.406 -1.906 0.708 0.50 20.03 H new ATOM 0 HB2BLYS A 159 0.164 -1.682 1.810 0.50 20.03 H new ATOM 0 HB3ALYS A 159 0.619 -1.470 1.799 0.50 20.03 H new ATOM 0 HB3BLYS A 159 0.692 -1.026 0.498 0.50 20.03 H new ATOM 0 HG2ALYS A 159 1.846 -0.273 0.143 0.50 21.81 H new ATOM 0 HG2BLYS A 159 -0.928 -2.257 -0.744 0.50 21.81 H new ATOM 0 HG3ALYS A 159 0.784 -0.681 -0.923 0.50 21.81 H new ATOM 0 HG3BLYS A 159 -1.475 -2.854 0.588 0.50 21.81 H new ATOM 0 HD2ALYS A 159 -0.873 0.559 0.174 0.50 24.74 H new ATOM 0 HD2BLYS A 159 -1.975 -0.600 1.291 0.50 24.74 H new ATOM 0 HD3ALYS A 159 0.087 0.854 1.367 0.50 24.74 H new ATOM 0 HD3BLYS A 159 -1.613 -0.130 -0.151 0.50 24.74 H new ATOM 0 HE2ALYS A 159 0.049 2.805 0.172 0.50 25.59 H new ATOM 0 HE2BLYS A 159 -3.391 -1.548 -0.979 0.50 25.59 H new ATOM 0 HE3ALYS A 159 1.437 2.180 -0.169 0.50 25.59 H new ATOM 0 HE3BLYS A 159 -3.808 -1.806 0.502 0.50 25.59 H new ATOM 0 HZ1ALYS A 159 0.361 2.790 -2.105 0.50 25.36 H new ATOM 0 HZ1BLYS A 159 -5.104 -0.137 0.062 0.50 25.36 H new ATOM 0 HZ2ALYS A 159 0.523 1.346 -2.119 0.50 25.36 H new ATOM 0 HZ2BLYS A 159 -3.966 0.658 0.493 0.50 25.36 H new ATOM 0 HZ3ALYS A 159 -0.770 1.929 -1.802 0.50 25.36 H new ATOM 0 HZ3BLYS A 159 -4.216 0.456 -0.924 0.50 25.36 H new ATOM 1329 N VAL A 160 3.281 -2.851 2.041 1.00 16.72 N ATOM 1330 CA VAL A 160 4.711 -2.686 2.293 1.00 14.77 C ATOM 1331 C VAL A 160 5.486 -3.830 1.615 1.00 16.61 C ATOM 1332 O VAL A 160 6.458 -3.591 0.950 1.00 15.48 O ATOM 1333 CB VAL A 160 5.013 -2.670 3.819 1.00 15.68 C ATOM 1334 CG1 VAL A 160 6.517 -2.769 4.085 1.00 18.11 C ATOM 1335 CG2 VAL A 160 4.443 -1.382 4.434 1.00 17.75 C ATOM 0 H AVAL A 160 2.793 -3.002 2.733 0.50 16.72 H new ATOM 0 H BVAL A 160 2.827 -3.086 2.732 0.50 16.72 H new ATOM 0 HA VAL A 160 4.994 -1.835 1.923 1.00 14.77 H new ATOM 0 HB VAL A 160 4.591 -3.441 4.230 1.00 15.68 H new ATOM 0 HG11 VAL A 160 6.678 -2.757 5.041 1.00 18.11 H new ATOM 0 HG12 VAL A 160 6.858 -3.596 3.710 1.00 18.11 H new ATOM 0 HG13 VAL A 160 6.969 -2.017 3.672 1.00 18.11 H new ATOM 0 HG21 VAL A 160 4.629 -1.368 5.386 1.00 17.75 H new ATOM 0 HG22 VAL A 160 4.856 -0.612 4.013 1.00 17.75 H new ATOM 0 HG23 VAL A 160 3.484 -1.352 4.292 1.00 17.75 H new ATOM 1336 N VAL A 161 5.064 -5.082 1.823 1.00 16.66 N ATOM 1337 CA VAL A 161 5.846 -6.194 1.292 1.00 17.65 C ATOM 1338 C VAL A 161 5.857 -6.113 -0.243 1.00 16.93 C ATOM 1339 O VAL A 161 6.873 -6.289 -0.843 1.00 16.79 O ATOM 1340 CB VAL A 161 5.194 -7.567 1.692 1.00 18.37 C ATOM 1341 CG1 VAL A 161 5.701 -8.695 0.780 1.00 20.02 C ATOM 1342 CG2 VAL A 161 5.417 -7.850 3.174 1.00 18.97 C ATOM 0 H VAL A 161 4.353 -5.301 2.254 1.00 16.66 H new ATOM 0 HA VAL A 161 6.744 -6.138 1.654 1.00 17.65 H new ATOM 0 HB VAL A 161 4.234 -7.517 1.559 1.00 18.37 H new ATOM 0 HG11 VAL A 161 5.288 -9.533 1.042 1.00 20.02 H new ATOM 0 HG12 VAL A 161 5.471 -8.495 -0.141 1.00 20.02 H new ATOM 0 HG13 VAL A 161 6.665 -8.770 0.863 1.00 20.02 H new ATOM 0 HG21 VAL A 161 5.010 -8.699 3.406 1.00 18.97 H new ATOM 0 HG22 VAL A 161 6.369 -7.887 3.357 1.00 18.97 H new ATOM 0 HG23 VAL A 161 5.014 -7.143 3.703 1.00 18.97 H new ATOM 1343 N ASP A 162 4.753 -5.698 -0.845 1.00 18.05 N ATOM 1344 CA ASP A 162 4.746 -5.586 -2.304 1.00 21.89 C ATOM 1345 C ASP A 162 5.713 -4.544 -2.936 1.00 21.73 C ATOM 1346 O ASP A 162 6.164 -4.703 -4.054 1.00 24.50 O ATOM 1347 CB ASP A 162 3.291 -5.399 -2.733 1.00 26.38 C ATOM 1348 CG ASP A 162 2.546 -6.744 -2.751 1.00 27.38 C ATOM 1349 OD1 ASP A 162 3.206 -7.798 -2.872 1.00 29.15 O ATOM 1350 OD2 ASP A 162 1.308 -6.745 -2.639 1.00 32.47 O ATOM 0 H ASP A 162 4.020 -5.482 -0.450 1.00 18.05 H new ATOM 0 HA ASP A 162 5.120 -6.407 -2.660 1.00 21.89 H new ATOM 0 HB2 ASP A 162 2.847 -4.787 -2.125 1.00 26.38 H new ATOM 0 HB3 ASP A 162 3.259 -4.996 -3.615 1.00 26.38 H new ATOM 1351 N VAL A 163 6.032 -3.468 -2.220 1.00 19.51 N ATOM 1352 CA VAL A 163 6.944 -2.461 -2.794 1.00 21.19 C ATOM 1353 C VAL A 163 8.417 -2.806 -2.595 1.00 18.63 C ATOM 1354 O VAL A 163 9.301 -2.175 -3.136 1.00 19.19 O ATOM 1355 CB VAL A 163 6.580 -1.090 -2.152 1.00 21.25 C ATOM 1356 CG1 VAL A 163 7.389 -0.825 -0.905 1.00 21.71 C ATOM 1357 CG2 VAL A 163 6.812 0.067 -3.108 1.00 24.59 C ATOM 0 H VAL A 163 5.746 -3.299 -1.427 1.00 19.51 H new ATOM 0 HA VAL A 163 6.827 -2.432 -3.756 1.00 21.19 H new ATOM 0 HB VAL A 163 5.637 -1.148 -1.931 1.00 21.25 H new ATOM 0 HG11 VAL A 163 7.137 0.035 -0.532 1.00 21.71 H new ATOM 0 HG12 VAL A 163 7.217 -1.522 -0.253 1.00 21.71 H new ATOM 0 HG13 VAL A 163 8.333 -0.817 -1.127 1.00 21.71 H new ATOM 0 HG21 VAL A 163 6.574 0.900 -2.672 1.00 24.59 H new ATOM 0 HG22 VAL A 163 7.747 0.092 -3.365 1.00 24.59 H new ATOM 0 HG23 VAL A 163 6.263 -0.051 -3.899 1.00 24.59 H new ATOM 1358 N LEU A 164 8.762 -3.808 -1.760 1.00 18.32 N ATOM 1359 CA LEU A 164 10.187 -4.103 -1.456 1.00 17.25 C ATOM 1360 C LEU A 164 11.101 -4.435 -2.656 1.00 20.80 C ATOM 1361 O LEU A 164 12.298 -4.149 -2.623 1.00 18.17 O ATOM 1362 CB LEU A 164 10.330 -5.165 -0.334 1.00 15.36 C ATOM 1363 CG LEU A 164 9.649 -4.892 1.018 1.00 16.11 C ATOM 1364 CD1 LEU A 164 10.066 -5.997 2.002 1.00 15.16 C ATOM 1365 CD2 LEU A 164 10.085 -3.534 1.543 1.00 17.55 C ATOM 0 H LEU A 164 8.198 -4.322 -1.364 1.00 18.32 H new ATOM 0 HA LEU A 164 10.522 -3.249 -1.141 1.00 17.25 H new ATOM 0 HB2 LEU A 164 9.984 -6.005 -0.675 1.00 15.36 H new ATOM 0 HB3 LEU A 164 11.277 -5.294 -0.168 1.00 15.36 H new ATOM 0 HG LEU A 164 8.684 -4.889 0.915 1.00 16.11 H new ATOM 0 HD11 LEU A 164 9.645 -5.841 2.862 1.00 15.16 H new ATOM 0 HD12 LEU A 164 9.786 -6.860 1.658 1.00 15.16 H new ATOM 0 HD13 LEU A 164 11.030 -5.989 2.108 1.00 15.16 H new ATOM 0 HD21 LEU A 164 9.655 -3.363 2.395 1.00 17.55 H new ATOM 0 HD22 LEU A 164 11.048 -3.526 1.660 1.00 17.55 H new ATOM 0 HD23 LEU A 164 9.831 -2.845 0.909 1.00 17.55 H new ATOM 1366 N ASP A 165 10.515 -5.058 -3.692 1.00 24.98 N ATOM 1367 CA ASP A 165 11.331 -5.428 -4.830 1.00 29.78 C ATOM 1368 C ASP A 165 11.817 -4.166 -5.596 1.00 29.02 C ATOM 1369 O ASP A 165 12.868 -4.218 -6.232 1.00 30.61 O ATOM 1370 CB ASP A 165 10.582 -6.418 -5.724 1.00 37.42 C ATOM 1371 CG ASP A 165 9.604 -5.734 -6.644 1.00 47.20 C ATOM 1372 OD1 ASP A 165 8.517 -5.293 -6.187 1.00 50.67 O ATOM 1373 OD2 ASP A 165 9.946 -5.596 -7.848 1.00 54.52 O ATOM 0 H ASP A 165 9.682 -5.263 -3.745 1.00 24.98 H new ATOM 0 HA ASP A 165 12.129 -5.881 -4.516 1.00 29.78 H new ATOM 0 HB2 ASP A 165 11.222 -6.921 -6.252 1.00 37.42 H new ATOM 0 HB3 ASP A 165 10.108 -7.057 -5.169 1.00 37.42 H new ATOM 1374 N SER A 166 11.094 -3.052 -5.446 1.00 25.54 N ATOM 1375 CA SER A 166 11.521 -1.765 -6.003 1.00 25.84 C ATOM 1376 C SER A 166 12.604 -1.020 -5.177 1.00 24.19 C ATOM 1377 O SER A 166 13.206 -0.028 -5.659 1.00 23.15 O ATOM 1378 CB SER A 166 10.289 -0.887 -6.174 1.00 25.73 C ATOM 1379 OG SER A 166 9.910 -0.351 -4.915 1.00 26.79 O ATOM 0 H SER A 166 10.347 -3.022 -5.021 1.00 25.54 H new ATOM 0 HA SER A 166 11.949 -1.955 -6.853 1.00 25.84 H new ATOM 0 HB2 SER A 166 10.476 -0.169 -6.799 1.00 25.73 H new ATOM 0 HB3 SER A 166 9.560 -1.406 -6.548 1.00 25.73 H new ATOM 0 HG SER A 166 9.660 -0.973 -4.409 1.00 26.79 H new ATOM 1380 N ILE A 167 12.886 -1.469 -3.931 1.00 18.76 N ATOM 1381 CA ILE A 167 13.960 -0.872 -3.144 1.00 18.95 C ATOM 1382 C ILE A 167 14.932 -1.917 -2.642 1.00 18.39 C ATOM 1383 O ILE A 167 15.294 -1.931 -1.463 1.00 20.47 O ATOM 1384 CB ILE A 167 13.410 -0.029 -1.941 1.00 18.48 C ATOM 1385 CG1 ILE A 167 12.444 -0.862 -1.060 1.00 17.95 C ATOM 1386 CG2 ILE A 167 12.658 1.225 -2.464 1.00 19.96 C ATOM 1387 CD1 ILE A 167 12.187 -0.251 0.319 1.00 20.18 C ATOM 0 H ILE A 167 12.466 -2.110 -3.540 1.00 18.76 H new ATOM 0 HA ILE A 167 14.434 -0.272 -3.741 1.00 18.95 H new ATOM 0 HB ILE A 167 14.171 0.240 -1.403 1.00 18.48 H new ATOM 0 HG12 ILE A 167 11.598 -0.959 -1.525 1.00 17.95 H new ATOM 0 HG13 ILE A 167 12.810 -1.753 -0.947 1.00 17.95 H new ATOM 0 HG21 ILE A 167 12.323 1.738 -1.712 1.00 19.96 H new ATOM 0 HG22 ILE A 167 13.266 1.774 -2.984 1.00 19.96 H new ATOM 0 HG23 ILE A 167 11.915 0.948 -3.023 1.00 19.96 H new ATOM 0 HD11 ILE A 167 11.578 -0.819 0.816 1.00 20.18 H new ATOM 0 HD12 ILE A 167 13.025 -0.176 0.801 1.00 20.18 H new ATOM 0 HD13 ILE A 167 11.795 0.630 0.215 1.00 20.18 H new ATOM 1388 N LYS A 168 15.346 -2.835 -3.517 1.00 19.44 N ATOM 1389 CA LYS A 168 16.179 -3.941 -3.054 1.00 22.14 C ATOM 1390 C LYS A 168 17.527 -3.595 -2.371 1.00 21.90 C ATOM 1391 O LYS A 168 17.929 -4.250 -1.414 1.00 19.43 O ATOM 1392 CB LYS A 168 16.426 -4.906 -4.233 1.00 20.22 C ATOM 1393 CG LYS A 168 17.151 -6.184 -3.814 1.00 25.06 C ATOM 1394 CD LYS A 168 17.196 -7.131 -5.016 1.00 29.21 C ATOM 1395 CE LYS A 168 18.367 -8.093 -4.893 1.00 34.82 C ATOM 1396 NZ LYS A 168 18.480 -9.074 -6.036 1.00 36.29 N ATOM 0 H LYS A 168 15.162 -2.837 -4.357 1.00 19.44 H new ATOM 0 HA LYS A 168 15.664 -4.340 -2.335 1.00 22.14 H new ATOM 0 HB2 LYS A 168 15.576 -5.140 -4.637 1.00 20.22 H new ATOM 0 HB3 LYS A 168 16.948 -4.452 -4.913 1.00 20.22 H new ATOM 0 HG2 LYS A 168 18.050 -5.979 -3.512 1.00 25.06 H new ATOM 0 HG3 LYS A 168 16.691 -6.604 -3.070 1.00 25.06 H new ATOM 0 HD2 LYS A 168 16.366 -7.629 -5.073 1.00 29.21 H new ATOM 0 HD3 LYS A 168 17.276 -6.618 -5.836 1.00 29.21 H new ATOM 0 HE2 LYS A 168 19.189 -7.581 -4.836 1.00 34.82 H new ATOM 0 HE3 LYS A 168 18.282 -8.587 -4.062 1.00 34.82 H new ATOM 0 HZ1 LYS A 168 19.182 -9.605 -5.903 1.00 36.29 H new ATOM 0 HZ2 LYS A 168 17.740 -9.566 -6.079 1.00 36.29 H new ATOM 0 HZ3 LYS A 168 18.585 -8.629 -6.800 1.00 36.29 H new ATOM 1397 N THR A 169 18.208 -2.521 -2.825 1.00 17.64 N ATOM 1398 CA THR A 169 19.601 -2.275 -2.464 1.00 19.37 C ATOM 1399 C THR A 169 19.721 -0.928 -1.766 1.00 17.35 C ATOM 1400 O THR A 169 18.815 -0.119 -1.912 1.00 18.82 O ATOM 1401 CB THR A 169 20.533 -2.301 -3.716 1.00 20.69 C ATOM 1402 OG1 THR A 169 19.948 -1.503 -4.741 1.00 22.55 O ATOM 1403 CG2 THR A 169 20.763 -3.771 -4.180 1.00 20.44 C ATOM 0 H THR A 169 17.869 -1.926 -3.346 1.00 17.64 H new ATOM 0 HA THR A 169 19.883 -2.984 -1.865 1.00 19.37 H new ATOM 0 HB THR A 169 21.403 -1.931 -3.498 1.00 20.69 H new ATOM 0 HG1 THR A 169 20.401 -0.803 -4.844 1.00 22.55 H new ATOM 0 HG21 THR A 169 21.343 -3.778 -4.958 1.00 20.44 H new ATOM 0 HG22 THR A 169 21.178 -4.276 -3.463 1.00 20.44 H new ATOM 0 HG23 THR A 169 19.911 -4.175 -4.408 1.00 20.44 H new ATOM 1404 N ALYS A 170 20.795 -0.768 -0.987 0.50 19.64 N ATOM 1405 N BLYS A 170 20.813 -0.773 -1.022 0.50 19.82 N ATOM 1406 CA ALYS A 170 21.090 0.399 -0.150 0.50 20.48 C ATOM 1407 CA BLYS A 170 21.160 0.424 -0.291 0.50 20.77 C ATOM 1408 C ALYS A 170 21.181 1.640 -0.992 0.50 21.31 C ATOM 1409 C BLYS A 170 20.957 1.633 -1.188 0.50 21.63 C ATOM 1410 O ALYS A 170 21.997 1.652 -1.951 0.50 22.03 O ATOM 1411 O BLYS A 170 21.269 1.641 -2.399 0.50 22.79 O ATOM 1412 CB ALYS A 170 22.413 0.215 0.580 0.50 20.03 C ATOM 1413 CB BLYS A 170 22.585 0.329 0.256 0.50 20.59 C ATOM 1414 CG ALYS A 170 22.970 1.482 1.287 0.50 19.90 C ATOM 1415 CG BLYS A 170 23.102 1.513 1.118 0.50 20.27 C ATOM 1416 CD ALYS A 170 24.413 1.257 1.722 0.50 22.45 C ATOM 1417 CD BLYS A 170 24.405 1.116 1.814 0.50 22.23 C ATOM 1418 CE ALYS A 170 24.926 2.402 2.593 0.50 22.53 C ATOM 1419 CE BLYS A 170 25.501 0.777 0.816 0.50 22.32 C ATOM 1420 NZ ALYS A 170 26.321 2.689 2.177 0.50 25.21 N ATOM 1421 NZ BLYS A 170 26.785 0.353 1.445 0.50 24.52 N ATOM 0 H ALYS A 170 21.405 -1.372 -0.930 0.50 19.82 H new ATOM 0 H BLYS A 170 21.396 -1.399 -0.930 0.50 19.82 H new ATOM 0 HA ALYS A 170 20.370 0.489 0.494 0.50 20.77 H new ATOM 0 HA BLYS A 170 20.578 0.523 0.479 0.50 20.77 H new ATOM 0 HB2ALYS A 170 22.304 -0.484 1.243 0.50 20.59 H new ATOM 0 HB2BLYS A 170 22.648 -0.479 0.789 0.50 20.59 H new ATOM 0 HB3ALYS A 170 23.075 -0.098 -0.056 0.50 20.59 H new ATOM 0 HB3BLYS A 170 23.188 0.221 -0.496 0.50 20.59 H new ATOM 0 HG2ALYS A 170 22.922 2.242 0.686 0.50 20.27 H new ATOM 0 HG2BLYS A 170 23.249 2.292 0.558 0.50 20.27 H new ATOM 0 HG3ALYS A 170 22.423 1.696 2.059 0.50 20.27 H new ATOM 0 HG3BLYS A 170 22.435 1.759 1.778 0.50 20.27 H new ATOM 0 HD2ALYS A 170 24.477 0.423 2.213 0.50 22.23 H new ATOM 0 HD2BLYS A 170 24.701 1.843 2.384 0.50 22.23 H new ATOM 0 HD3ALYS A 170 24.977 1.169 0.938 0.50 22.23 H new ATOM 0 HD3BLYS A 170 24.244 0.352 2.389 0.50 22.23 H new ATOM 0 HE2ALYS A 170 24.369 3.189 2.485 0.50 22.32 H new ATOM 0 HE2BLYS A 170 25.187 0.068 0.234 0.50 22.32 H new ATOM 0 HE3ALYS A 170 24.893 2.158 3.531 0.50 22.32 H new ATOM 0 HE3BLYS A 170 25.666 1.551 0.256 0.50 22.32 H new ATOM 0 HZ1ALYS A 170 26.647 3.355 2.670 0.50 24.52 H new ATOM 0 HZ1BLYS A 170 27.381 0.170 0.810 0.50 24.52 H new ATOM 0 HZ2ALYS A 170 26.821 1.962 2.293 0.50 24.52 H new ATOM 0 HZ2BLYS A 170 27.094 1.009 1.961 0.50 24.52 H new ATOM 0 HZ3ALYS A 170 26.333 2.923 1.318 0.50 24.52 H new ATOM 0 HZ3BLYS A 170 26.648 -0.374 1.940 0.50 24.52 H new ATOM 1422 N GLY A 171 20.381 2.643 -0.592 1.00 21.38 N ATOM 1423 CA GLY A 171 20.128 3.913 -1.314 1.00 25.24 C ATOM 1424 C GLY A 171 18.923 4.014 -2.213 1.00 26.10 C ATOM 1425 O GLY A 171 18.644 5.126 -2.738 1.00 28.04 O ATOM 0 H AGLY A 171 19.946 2.601 0.149 0.50 21.38 H new ATOM 0 H BGLY A 171 20.121 2.637 0.228 0.50 21.38 H new ATOM 0 HA2 GLY A 171 20.059 4.618 -0.651 1.00 25.24 H new ATOM 0 HA3 GLY A 171 20.912 4.105 -1.852 1.00 25.24 H new ATOM 1426 N LYS A 172 18.195 2.905 -2.484 1.00 21.33 N ATOM 1427 CA LYS A 172 16.989 2.983 -3.296 1.00 21.94 C ATOM 1428 C LYS A 172 15.738 3.482 -2.550 1.00 23.50 C ATOM 1429 O LYS A 172 15.470 3.082 -1.405 1.00 25.33 O ATOM 1430 CB LYS A 172 16.694 1.635 -4.043 1.00 22.61 C ATOM 1431 CG LYS A 172 17.772 1.303 -5.090 1.00 29.14 C ATOM 1432 CD LYS A 172 17.412 0.151 -6.064 1.00 29.89 C ATOM 1433 CE LYS A 172 16.770 0.609 -7.376 1.00 38.56 C ATOM 1434 NZ LYS A 172 15.408 -0.003 -7.676 1.00 36.96 N ATOM 0 H LYS A 172 18.391 2.116 -2.205 1.00 21.33 H new ATOM 0 HA LYS A 172 17.189 3.667 -3.954 1.00 21.94 H new ATOM 0 HB2 LYS A 172 16.640 0.914 -3.397 1.00 22.61 H new ATOM 0 HB3 LYS A 172 15.829 1.691 -4.478 1.00 22.61 H new ATOM 0 HG2 LYS A 172 17.955 2.101 -5.609 1.00 29.14 H new ATOM 0 HG3 LYS A 172 18.592 1.072 -4.627 1.00 29.14 H new ATOM 0 HD2 LYS A 172 18.218 -0.349 -6.268 1.00 29.89 H new ATOM 0 HD3 LYS A 172 16.806 -0.459 -5.616 1.00 29.89 H new ATOM 0 HE2 LYS A 172 16.678 1.574 -7.355 1.00 38.56 H new ATOM 0 HE3 LYS A 172 17.372 0.397 -8.106 1.00 38.56 H new ATOM 0 HZ1 LYS A 172 15.040 0.416 -8.370 1.00 36.96 H new ATOM 0 HZ2 LYS A 172 15.506 -0.866 -7.869 1.00 36.96 H new ATOM 0 HZ3 LYS A 172 14.880 0.083 -6.965 1.00 36.96 H new ATOM 1435 N ASER A 173 14.917 4.259 -3.253 0.50 22.79 N ATOM 1436 N BSER A 173 15.009 4.404 -3.128 0.50 22.64 N ATOM 1437 CA ASER A 173 13.654 4.763 -2.710 0.50 21.38 C ATOM 1438 CA BSER A 173 13.812 4.869 -2.484 0.50 22.37 C ATOM 1439 C ASER A 173 12.357 4.628 -3.575 0.50 22.54 C ATOM 1440 C BSER A 173 12.810 4.919 -3.573 0.50 24.58 C ATOM 1441 O ASER A 173 12.378 4.557 -4.834 0.50 20.28 O ATOM 1442 O BSER A 173 13.221 4.967 -4.752 0.50 22.73 O ATOM 1443 CB ASER A 173 13.843 6.214 -2.165 0.50 24.93 C ATOM 1444 CB BSER A 173 13.975 6.310 -1.989 0.50 24.19 C ATOM 1445 OG ASER A 173 14.878 6.965 -2.834 0.50 18.71 O ATOM 1446 OG BSER A 173 14.030 7.200 -3.123 0.50 17.57 O ATOM 0 H ASER A 173 15.076 4.510 -4.060 0.50 22.64 H new ATOM 0 H BSER A 173 15.187 4.771 -3.885 0.50 22.64 H new ATOM 0 HA ASER A 173 13.461 4.140 -1.992 0.50 22.37 H new ATOM 0 HA BSER A 173 13.582 4.301 -1.732 0.50 22.37 H new ATOM 0 HB2ASER A 173 13.004 6.693 -2.249 0.50 24.19 H new ATOM 0 HB2BSER A 173 13.234 6.550 -1.412 0.50 24.19 H new ATOM 0 HB3ASER A 173 14.050 6.169 -1.218 0.50 24.19 H new ATOM 0 HB3BSER A 173 14.784 6.392 -1.461 0.50 24.19 H new ATOM 0 HG ASER A 173 15.586 6.930 -2.383 0.50 17.57 H new ATOM 0 HG BSER A 173 14.501 7.869 -2.932 0.50 17.57 H new ATOM 1447 N AALA A 174 11.207 4.591 -2.924 0.50 22.40 N ATOM 1448 N BALA A 174 11.522 4.997 -3.200 0.50 22.89 N ATOM 1449 CA AALA A 174 9.970 4.538 -3.681 0.50 23.19 C ATOM 1450 CA BALA A 174 10.381 5.110 -4.154 0.50 25.96 C ATOM 1451 C AALA A 174 8.913 5.426 -3.086 0.50 24.24 C ATOM 1452 C BALA A 174 9.362 6.291 -3.975 0.50 25.72 C ATOM 1453 O AALA A 174 8.864 5.631 -1.885 0.50 17.47 O ATOM 1454 O BALA A 174 9.759 7.455 -3.941 0.50 30.59 O ATOM 1455 CB AALA A 174 9.461 3.116 -3.839 0.50 24.08 C ATOM 1456 CB BALA A 174 9.629 3.781 -4.219 0.50 23.10 C ATOM 0 H AALA A 174 11.120 4.596 -2.068 0.50 22.89 H new ATOM 0 H BALA A 174 11.276 4.986 -2.376 0.50 22.89 H new ATOM 0 HA AALA A 174 10.173 4.875 -4.568 0.50 25.96 H new ATOM 0 HA BALA A 174 10.822 5.336 -4.988 0.50 25.96 H new ATOM 0 HB1AALA A 174 8.636 3.122 -4.349 0.50 23.10 H new ATOM 0 HB1BALA A 174 8.888 3.858 -4.840 0.50 23.10 H new ATOM 0 HB2AALA A 174 10.125 2.585 -4.306 0.50 23.10 H new ATOM 0 HB2BALA A 174 10.231 3.083 -4.520 0.50 23.10 H new ATOM 0 HB3AALA A 174 9.297 2.732 -2.964 0.50 23.10 H new ATOM 0 HB3BALA A 174 9.290 3.557 -3.338 0.50 23.10 H new ATOM 1457 N ASP A 175 8.061 5.956 -3.962 1.00 27.12 N ATOM 1458 CA ASP A 175 6.956 6.805 -3.537 1.00 30.33 C ATOM 1459 C ASP A 175 6.059 5.884 -2.786 1.00 29.86 C ATOM 1460 O ASP A 175 5.800 4.741 -3.232 1.00 29.22 O ATOM 1461 CB ASP A 175 6.160 7.390 -4.716 1.00 35.18 C ATOM 1462 CG ASP A 175 6.904 8.483 -5.367 1.00 43.74 C ATOM 1463 OD1 ASP A 175 7.418 9.330 -4.608 1.00 42.84 O ATOM 1464 OD2 ASP A 175 7.021 8.489 -6.617 1.00 55.07 O ATOM 0 H AASP A 175 8.108 5.834 -4.812 0.50 27.12 H new ATOM 0 H BASP A 175 7.794 5.180 -4.218 0.50 27.12 H new ATOM 0 HA ASP A 175 7.289 7.560 -3.027 1.00 30.33 H new ATOM 0 HB2 ASP A 175 5.974 6.691 -5.363 1.00 35.18 H new ATOM 0 HB3 ASP A 175 5.304 7.720 -4.400 1.00 35.18 H new ATOM 1465 N PHE A 176 5.551 6.350 -1.651 1.00 23.91 N ATOM 1466 CA PHE A 176 4.811 5.429 -0.827 1.00 24.75 C ATOM 1467 C PHE A 176 3.818 6.223 -0.054 1.00 25.64 C ATOM 1468 O PHE A 176 4.051 6.553 1.128 1.00 23.32 O ATOM 1469 CB PHE A 176 5.784 4.583 0.052 1.00 21.73 C ATOM 1470 CG PHE A 176 5.142 3.326 0.596 1.00 21.33 C ATOM 1471 CD1 PHE A 176 4.844 2.261 -0.252 1.00 23.43 C ATOM 1472 CD2 PHE A 176 4.800 3.201 1.944 1.00 22.24 C ATOM 1473 CE1 PHE A 176 4.214 1.123 0.249 1.00 23.97 C ATOM 1474 CE2 PHE A 176 4.202 2.061 2.465 1.00 21.63 C ATOM 1475 CZ PHE A 176 3.903 1.014 1.611 1.00 24.62 C ATOM 0 H PHE A 176 5.621 7.155 -1.357 1.00 23.91 H new ATOM 0 HA PHE A 176 4.325 4.777 -1.355 1.00 24.75 H new ATOM 0 HB2 PHE A 176 6.562 4.342 -0.475 1.00 21.73 H new ATOM 0 HB3 PHE A 176 6.100 5.126 0.791 1.00 21.73 H new ATOM 0 HD1 PHE A 176 5.066 2.310 -1.154 1.00 23.43 H new ATOM 0 HD2 PHE A 176 4.980 3.911 2.517 1.00 22.24 H new ATOM 0 HE1 PHE A 176 3.997 0.427 -0.328 1.00 23.97 H new ATOM 0 HE2 PHE A 176 4.006 2.002 3.372 1.00 21.63 H new ATOM 0 HZ PHE A 176 3.498 0.243 1.939 1.00 24.62 H new ATOM 1476 N THR A 177 2.745 6.577 -0.760 1.00 20.98 N ATOM 1477 CA THR A 177 1.706 7.428 -0.240 1.00 20.71 C ATOM 1478 C THR A 177 0.501 6.606 0.188 1.00 18.20 C ATOM 1479 O THR A 177 0.281 5.448 -0.284 1.00 20.84 O ATOM 1480 CB THR A 177 1.278 8.538 -1.257 1.00 22.07 C ATOM 1481 OG1 THR A 177 0.621 7.908 -2.370 1.00 26.10 O ATOM 1482 CG2 THR A 177 2.492 9.368 -1.749 1.00 27.82 C ATOM 0 H THR A 177 2.608 6.319 -1.569 1.00 20.98 H new ATOM 0 HA THR A 177 2.073 7.878 0.537 1.00 20.71 H new ATOM 0 HB THR A 177 0.675 9.154 -0.813 1.00 22.07 H new ATOM 0 HG1 THR A 177 -0.208 7.898 -2.237 1.00 26.10 H new ATOM 0 HG21 THR A 177 2.190 10.044 -2.376 1.00 27.82 H new ATOM 0 HG22 THR A 177 2.919 9.798 -0.991 1.00 27.82 H new ATOM 0 HG23 THR A 177 3.128 8.782 -2.188 1.00 27.82 H new ATOM 1483 N ASN A 178 -0.289 7.196 1.090 1.00 19.47 N ATOM 1484 CA ASN A 178 -1.537 6.675 1.564 1.00 18.82 C ATOM 1485 C ASN A 178 -1.405 5.311 2.264 1.00 20.12 C ATOM 1486 O ASN A 178 -2.344 4.585 2.275 1.00 24.16 O ATOM 1487 CB ASN A 178 -2.550 6.564 0.415 1.00 20.42 C ATOM 1488 CG ASN A 178 -2.816 7.933 -0.228 1.00 21.75 C ATOM 1489 OD1 ASN A 178 -2.153 8.219 -1.371 1.00 22.18 O flip ATOM 1490 ND2 ASN A 178 -3.565 8.714 0.341 1.00 19.10 N flip ATOM 0 H ASN A 178 -0.086 7.950 1.451 1.00 19.47 H new ATOM 0 HA ASN A 178 -1.853 7.308 2.228 1.00 18.82 H new ATOM 0 HB2 ASN A 178 -2.215 5.949 -0.256 1.00 20.42 H new ATOM 0 HB3 ASN A 178 -3.382 6.194 0.749 1.00 20.42 H new ATOM 0 HD21 ASN A 178 -3.961 8.478 1.067 1.00 19.10 H new ATOM 0 HD22 ASN A 178 -3.695 9.499 0.015 1.00 19.10 H new ATOM 1491 N PHE A 179 -0.243 5.029 2.844 1.00 18.79 N ATOM 1492 CA PHE A 179 -0.120 3.759 3.675 1.00 17.75 C ATOM 1493 C PHE A 179 -0.662 4.036 5.062 1.00 18.19 C ATOM 1494 O PHE A 179 -0.253 5.027 5.684 1.00 20.42 O ATOM 1495 CB PHE A 179 1.287 3.278 3.734 1.00 17.91 C ATOM 1496 CG PHE A 179 1.405 2.038 4.540 1.00 16.82 C ATOM 1497 CD1 PHE A 179 0.997 0.833 4.003 1.00 19.01 C ATOM 1498 CD2 PHE A 179 1.709 2.123 5.885 1.00 17.04 C ATOM 1499 CE1 PHE A 179 1.001 -0.293 4.793 1.00 18.52 C ATOM 1500 CE2 PHE A 179 1.702 0.989 6.685 1.00 17.20 C ATOM 1501 CZ PHE A 179 1.377 -0.206 6.126 1.00 18.09 C ATOM 0 H PHE A 179 0.468 5.511 2.793 1.00 18.79 H new ATOM 0 HA PHE A 179 -0.637 3.052 3.258 1.00 17.75 H new ATOM 0 HB2 PHE A 179 1.612 3.113 2.835 1.00 17.91 H new ATOM 0 HB3 PHE A 179 1.850 3.969 4.117 1.00 17.91 H new ATOM 0 HD1 PHE A 179 0.722 0.783 3.116 1.00 19.01 H new ATOM 0 HD2 PHE A 179 1.920 2.948 6.258 1.00 17.04 H new ATOM 0 HE1 PHE A 179 0.751 -1.114 4.433 1.00 18.52 H new ATOM 0 HE2 PHE A 179 1.916 1.046 7.588 1.00 17.20 H new ATOM 0 HZ PHE A 179 1.407 -0.977 6.645 1.00 18.09 H new ATOM 1502 N ASP A 180 -1.592 3.205 5.528 1.00 18.06 N ATOM 1503 CA ASP A 180 -2.229 3.390 6.807 1.00 18.22 C ATOM 1504 C ASP A 180 -1.604 2.558 7.876 1.00 16.96 C ATOM 1505 O ASP A 180 -1.806 1.315 7.880 1.00 14.60 O ATOM 1506 CB ASP A 180 -3.712 2.990 6.676 1.00 21.10 C ATOM 1507 CG ASP A 180 -4.567 3.466 7.846 1.00 23.38 C ATOM 1508 OD1 ASP A 180 -4.029 3.612 8.962 1.00 20.47 O ATOM 1509 OD2 ASP A 180 -5.782 3.697 7.648 1.00 28.23 O ATOM 0 H ASP A 180 -1.867 2.513 5.098 1.00 18.06 H new ATOM 0 HA ASP A 180 -2.130 4.321 7.059 1.00 18.22 H new ATOM 0 HB2 ASP A 180 -4.069 3.357 5.852 1.00 21.10 H new ATOM 0 HB3 ASP A 180 -3.776 2.025 6.608 1.00 21.10 H new ATOM 1510 N PRO A 181 -0.857 3.189 8.817 1.00 15.30 N ATOM 1511 CA PRO A 181 -0.184 2.367 9.839 1.00 15.67 C ATOM 1512 C PRO A 181 -1.114 1.750 10.855 1.00 14.20 C ATOM 1513 O PRO A 181 -0.686 0.826 11.609 1.00 13.56 O ATOM 1514 CB PRO A 181 0.778 3.391 10.488 1.00 17.14 C ATOM 1515 CG PRO A 181 0.046 4.675 10.370 1.00 16.79 C ATOM 1516 CD PRO A 181 -0.425 4.601 8.933 1.00 16.61 C ATOM 0 HA PRO A 181 0.249 1.589 9.456 1.00 15.67 H new ATOM 0 HB2 PRO A 181 0.964 3.170 11.414 1.00 17.14 H new ATOM 0 HB3 PRO A 181 1.631 3.422 10.027 1.00 17.14 H new ATOM 0 HG2 PRO A 181 -0.692 4.737 10.996 1.00 16.79 H new ATOM 0 HG3 PRO A 181 0.619 5.441 10.530 1.00 16.79 H new ATOM 0 HD2 PRO A 181 -1.153 5.218 8.758 1.00 16.61 H new ATOM 0 HD3 PRO A 181 0.285 4.815 8.308 1.00 16.61 H new ATOM 1517 N ARG A 182 -2.412 2.133 10.881 1.00 13.95 N ATOM 1518 CA ARG A 182 -3.340 1.426 11.813 1.00 15.58 C ATOM 1519 C ARG A 182 -3.433 -0.079 11.461 1.00 15.61 C ATOM 1520 O ARG A 182 -3.757 -0.880 12.319 1.00 16.49 O ATOM 1521 CB ARG A 182 -4.757 2.080 11.820 1.00 16.48 C ATOM 1522 CG ARG A 182 -4.659 3.544 12.298 1.00 16.96 C ATOM 1523 CD ARG A 182 -5.979 4.306 12.083 1.00 17.90 C ATOM 1524 NE ARG A 182 -6.306 4.410 10.698 1.00 18.49 N ATOM 1525 CZ ARG A 182 -7.423 5.041 10.313 1.00 25.42 C ATOM 1526 NH1 ARG A 182 -8.190 5.568 11.259 1.00 27.88 N ATOM 1527 NH2 ARG A 182 -7.775 5.101 9.044 1.00 24.36 N ATOM 0 H ARG A 182 -2.761 2.757 10.403 1.00 13.95 H new ATOM 0 HA ARG A 182 -2.974 1.510 12.707 1.00 15.58 H new ATOM 0 HB2 ARG A 182 -5.141 2.047 10.930 1.00 16.48 H new ATOM 0 HB3 ARG A 182 -5.349 1.580 12.403 1.00 16.48 H new ATOM 0 HG2 ARG A 182 -4.425 3.562 13.239 1.00 16.96 H new ATOM 0 HG3 ARG A 182 -3.945 3.993 11.820 1.00 16.96 H new ATOM 0 HD2 ARG A 182 -6.696 3.851 12.552 1.00 17.90 H new ATOM 0 HD3 ARG A 182 -5.907 5.194 12.467 1.00 17.90 H new ATOM 0 HE ARG A 182 -5.784 4.066 10.108 1.00 18.49 H new ATOM 0 HH11 ARG A 182 -7.963 5.498 12.085 1.00 27.88 H new ATOM 0 HH12 ARG A 182 -8.914 5.980 11.046 1.00 27.88 H new ATOM 0 HH21 ARG A 182 -7.284 4.730 8.443 1.00 24.36 H new ATOM 0 HH22 ARG A 182 -8.496 5.511 8.817 1.00 24.36 H new ATOM 1528 N GLY A 183 -3.198 -0.390 10.206 1.00 15.50 N ATOM 1529 CA GLY A 183 -3.207 -1.795 9.715 1.00 17.39 C ATOM 1530 C GLY A 183 -2.093 -2.667 10.261 1.00 20.43 C ATOM 1531 O GLY A 183 -2.129 -3.878 10.028 1.00 22.14 O ATOM 0 H GLY A 183 -3.026 0.192 9.597 1.00 15.50 H new ATOM 0 HA2 GLY A 183 -4.059 -2.199 9.944 1.00 17.39 H new ATOM 0 HA3 GLY A 183 -3.149 -1.786 8.747 1.00 17.39 H new ATOM 1532 N LEU A 184 -1.142 -2.081 11.010 1.00 16.76 N ATOM 1533 CA LEU A 184 -0.019 -2.849 11.586 1.00 16.12 C ATOM 1534 C LEU A 184 -0.205 -3.041 13.116 1.00 15.90 C ATOM 1535 O LEU A 184 0.671 -3.610 13.780 1.00 18.89 O ATOM 1536 CB LEU A 184 1.299 -2.115 11.325 1.00 15.54 C ATOM 1537 CG LEU A 184 1.661 -1.881 9.825 1.00 16.06 C ATOM 1538 CD1 LEU A 184 2.940 -1.113 9.620 1.00 17.98 C ATOM 1539 CD2 LEU A 184 1.828 -3.165 9.012 1.00 19.28 C ATOM 0 H LEU A 184 -1.129 -1.241 11.196 1.00 16.76 H new ATOM 0 HA LEU A 184 -0.000 -3.722 11.163 1.00 16.12 H new ATOM 0 HB2 LEU A 184 1.263 -1.254 11.770 1.00 15.54 H new ATOM 0 HB3 LEU A 184 2.017 -2.618 11.739 1.00 15.54 H new ATOM 0 HG LEU A 184 0.894 -1.374 9.515 1.00 16.06 H new ATOM 0 HD11 LEU A 184 3.104 -1.004 8.670 1.00 17.98 H new ATOM 0 HD12 LEU A 184 2.864 -0.240 10.037 1.00 17.98 H new ATOM 0 HD13 LEU A 184 3.677 -1.599 10.021 1.00 17.98 H new ATOM 0 HD21 LEU A 184 2.051 -2.941 8.095 1.00 19.28 H new ATOM 0 HD22 LEU A 184 2.540 -3.701 9.396 1.00 19.28 H new ATOM 0 HD23 LEU A 184 0.999 -3.669 9.029 1.00 19.28 H new ATOM 1540 N LEU A 185 -1.334 -2.640 13.697 1.00 14.77 N ATOM 1541 CA LEU A 185 -1.455 -2.626 15.169 1.00 14.14 C ATOM 1542 C LEU A 185 -2.187 -3.884 15.646 1.00 16.38 C ATOM 1543 O LEU A 185 -3.196 -4.278 15.011 1.00 19.88 O ATOM 1544 CB LEU A 185 -2.183 -1.360 15.708 1.00 13.61 C ATOM 1545 CG LEU A 185 -1.572 -0.024 15.348 1.00 15.14 C ATOM 1546 CD1 LEU A 185 -2.369 1.207 15.832 1.00 16.66 C ATOM 1547 CD2 LEU A 185 -0.131 0.090 15.844 1.00 16.32 C ATOM 0 H LEU A 185 -2.034 -2.375 13.273 1.00 14.77 H new ATOM 0 HA LEU A 185 -0.552 -2.608 15.523 1.00 14.14 H new ATOM 0 HB2 LEU A 185 -3.096 -1.374 15.382 1.00 13.61 H new ATOM 0 HB3 LEU A 185 -2.226 -1.423 16.675 1.00 13.61 H new ATOM 0 HG LEU A 185 -1.597 -0.011 14.378 1.00 15.14 H new ATOM 0 HD11 LEU A 185 -1.910 2.017 15.561 1.00 16.66 H new ATOM 0 HD12 LEU A 185 -3.257 1.192 15.441 1.00 16.66 H new ATOM 0 HD13 LEU A 185 -2.442 1.186 16.799 1.00 16.66 H new ATOM 0 HD21 LEU A 185 0.229 0.956 15.597 1.00 16.32 H new ATOM 0 HD22 LEU A 185 -0.112 -0.004 16.809 1.00 16.32 H new ATOM 0 HD23 LEU A 185 0.406 -0.610 15.441 1.00 16.32 H new ATOM 1548 N PRO A 186 -1.771 -4.459 16.778 1.00 16.21 N ATOM 1549 CA PRO A 186 -2.563 -5.565 17.286 1.00 16.51 C ATOM 1550 C PRO A 186 -3.871 -5.062 17.968 1.00 17.73 C ATOM 1551 O PRO A 186 -4.024 -3.892 18.172 1.00 18.40 O ATOM 1552 CB PRO A 186 -1.631 -6.194 18.345 1.00 15.59 C ATOM 1553 CG PRO A 186 -0.876 -4.992 18.920 1.00 13.60 C ATOM 1554 CD PRO A 186 -0.685 -4.052 17.706 1.00 15.16 C ATOM 0 HA PRO A 186 -2.843 -6.177 16.587 1.00 16.51 H new ATOM 0 HB2 PRO A 186 -2.134 -6.661 19.031 1.00 15.59 H new ATOM 0 HB3 PRO A 186 -1.025 -6.840 17.949 1.00 15.59 H new ATOM 0 HG2 PRO A 186 -1.381 -4.561 19.627 1.00 13.60 H new ATOM 0 HG3 PRO A 186 -0.024 -5.257 19.301 1.00 13.60 H new ATOM 0 HD2 PRO A 186 -0.764 -3.119 17.961 1.00 15.16 H new ATOM 0 HD3 PRO A 186 0.190 -4.163 17.302 1.00 15.16 H new ATOM 1555 N GLU A 187 -4.733 -5.948 18.457 1.00 18.53 N ATOM 1556 CA GLU A 187 -5.966 -5.483 19.190 1.00 18.72 C ATOM 1557 C GLU A 187 -5.689 -4.711 20.448 1.00 17.97 C ATOM 1558 O GLU A 187 -6.286 -3.662 20.650 1.00 21.03 O ATOM 1559 CB GLU A 187 -6.816 -6.676 19.626 1.00 20.12 C ATOM 1560 CG GLU A 187 -7.407 -7.488 18.490 1.00 24.38 C ATOM 1561 CD GLU A 187 -8.140 -8.768 19.005 1.00 24.29 C ATOM 1562 OE1 GLU A 187 -8.644 -9.518 18.190 1.00 32.37 O ATOM 1563 OE2 GLU A 187 -8.203 -9.017 20.226 1.00 26.32 O ATOM 0 H GLU A 187 -4.648 -6.801 18.391 1.00 18.53 H new ATOM 0 HA GLU A 187 -6.413 -4.906 18.551 1.00 18.72 H new ATOM 0 HB2 GLU A 187 -6.271 -7.261 20.175 1.00 20.12 H new ATOM 0 HB3 GLU A 187 -7.539 -6.354 20.186 1.00 20.12 H new ATOM 0 HG2 GLU A 187 -8.031 -6.938 17.991 1.00 24.38 H new ATOM 0 HG3 GLU A 187 -6.701 -7.745 17.876 1.00 24.38 H new ATOM 1564 N SER A 188 -4.811 -5.214 21.322 1.00 17.54 N ATOM 1565 CA SER A 188 -4.633 -4.615 22.630 1.00 17.87 C ATOM 1566 C SER A 188 -3.506 -3.613 22.557 1.00 17.13 C ATOM 1567 O SER A 188 -2.529 -3.890 21.887 1.00 17.62 O ATOM 1568 CB SER A 188 -4.198 -5.654 23.626 1.00 17.56 C ATOM 1569 OG SER A 188 -4.021 -5.157 24.922 1.00 17.42 O ATOM 0 H SER A 188 -4.314 -5.899 21.170 1.00 17.54 H new ATOM 0 HA SER A 188 -5.473 -4.210 22.895 1.00 17.87 H new ATOM 0 HB2 SER A 188 -4.858 -6.364 23.649 1.00 17.56 H new ATOM 0 HB3 SER A 188 -3.366 -6.050 23.324 1.00 17.56 H new ATOM 0 HG SER A 188 -3.781 -5.781 25.431 1.00 17.42 H new ATOM 1570 N LEU A 189 -3.649 -2.525 23.294 1.00 15.96 N ATOM 1571 CA LEU A 189 -2.562 -1.551 23.526 1.00 17.03 C ATOM 1572 C LEU A 189 -1.889 -1.696 24.915 1.00 17.90 C ATOM 1573 O LEU A 189 -1.250 -0.751 25.395 1.00 19.98 O ATOM 1574 CB LEU A 189 -3.100 -0.102 23.283 1.00 16.44 C ATOM 1575 CG LEU A 189 -3.414 0.242 21.813 1.00 18.81 C ATOM 1576 CD1 LEU A 189 -3.924 1.697 21.690 1.00 19.91 C ATOM 1577 CD2 LEU A 189 -2.281 -0.050 20.799 1.00 19.07 C ATOM 0 H LEU A 189 -4.386 -2.317 23.685 1.00 15.96 H new ATOM 0 HA LEU A 189 -1.857 -1.741 22.888 1.00 17.03 H new ATOM 0 HB2 LEU A 189 -3.906 0.021 23.809 1.00 16.44 H new ATOM 0 HB3 LEU A 189 -2.445 0.531 23.616 1.00 16.44 H new ATOM 0 HG LEU A 189 -4.119 -0.374 21.558 1.00 18.81 H new ATOM 0 HD11 LEU A 189 -4.116 1.895 20.760 1.00 19.91 H new ATOM 0 HD12 LEU A 189 -4.732 1.802 22.216 1.00 19.91 H new ATOM 0 HD13 LEU A 189 -3.244 2.307 22.016 1.00 19.91 H new ATOM 0 HD21 LEU A 189 -2.572 0.198 19.908 1.00 19.07 H new ATOM 0 HD22 LEU A 189 -1.494 0.464 21.036 1.00 19.07 H new ATOM 0 HD23 LEU A 189 -2.066 -0.996 20.817 1.00 19.07 H new ATOM 1578 N ASP A 190 -2.058 -2.832 25.597 1.00 17.97 N ATOM 1579 CA ASP A 190 -1.294 -3.142 26.811 1.00 17.90 C ATOM 1580 C ASP A 190 0.195 -3.123 26.447 1.00 15.37 C ATOM 1581 O ASP A 190 0.606 -3.583 25.354 1.00 15.90 O ATOM 1582 CB ASP A 190 -1.637 -4.517 27.345 1.00 20.80 C ATOM 1583 CG ASP A 190 -3.040 -4.555 28.026 1.00 25.55 C ATOM 1584 OD1 ASP A 190 -3.715 -3.510 28.144 1.00 29.10 O ATOM 1585 OD2 ASP A 190 -3.401 -5.661 28.423 1.00 30.10 O ATOM 0 H ASP A 190 -2.618 -3.444 25.370 1.00 17.97 H new ATOM 0 HA ASP A 190 -1.509 -2.487 27.493 1.00 17.90 H new ATOM 0 HB2 ASP A 190 -1.615 -5.159 26.618 1.00 20.80 H new ATOM 0 HB3 ASP A 190 -0.962 -4.791 27.985 1.00 20.80 H new ATOM 1586 N TYR A 191 0.947 -2.479 27.310 1.00 15.31 N ATOM 1587 CA TYR A 191 2.370 -2.250 27.025 1.00 14.76 C ATOM 1588 C TYR A 191 3.271 -2.345 28.238 1.00 14.28 C ATOM 1589 O TYR A 191 2.824 -2.214 29.402 1.00 13.34 O ATOM 1590 CB TYR A 191 2.537 -0.865 26.349 1.00 15.07 C ATOM 1591 CG TYR A 191 2.156 0.285 27.279 1.00 15.98 C ATOM 1592 CD1 TYR A 191 3.104 0.852 28.128 1.00 16.66 C ATOM 1593 CD2 TYR A 191 0.872 0.847 27.227 1.00 15.60 C ATOM 1594 CE1 TYR A 191 2.719 1.899 29.024 1.00 18.72 C ATOM 1595 CE2 TYR A 191 0.494 1.893 28.068 1.00 19.09 C ATOM 1596 CZ TYR A 191 1.429 2.410 28.956 1.00 17.90 C ATOM 1597 OH TYR A 191 1.052 3.438 29.796 1.00 18.14 O ATOM 0 H TYR A 191 0.670 -2.165 28.061 1.00 15.31 H new ATOM 0 HA TYR A 191 2.651 -2.965 26.433 1.00 14.76 H new ATOM 0 HB2 TYR A 191 3.458 -0.756 26.064 1.00 15.07 H new ATOM 0 HB3 TYR A 191 1.987 -0.829 25.551 1.00 15.07 H new ATOM 0 HD1 TYR A 191 3.984 0.551 28.112 1.00 16.66 H new ATOM 0 HD2 TYR A 191 0.256 0.513 26.615 1.00 15.60 H new ATOM 0 HE1 TYR A 191 3.325 2.234 29.645 1.00 18.72 H new ATOM 0 HE2 TYR A 191 -0.369 2.238 28.035 1.00 19.09 H new ATOM 0 HH TYR A 191 0.214 3.491 29.816 1.00 18.14 H new ATOM 1598 N TRP A 192 4.576 -2.490 27.995 1.00 12.19 N ATOM 1599 CA TRP A 192 5.617 -2.225 28.955 1.00 11.29 C ATOM 1600 C TRP A 192 6.346 -0.947 28.497 1.00 11.17 C ATOM 1601 O TRP A 192 6.317 -0.600 27.315 1.00 11.17 O ATOM 1602 CB TRP A 192 6.660 -3.302 28.920 1.00 13.28 C ATOM 1603 CG TRP A 192 6.148 -4.661 29.323 1.00 13.59 C ATOM 1604 CD1 TRP A 192 5.877 -5.122 30.609 1.00 14.09 C ATOM 1605 CD2 TRP A 192 5.873 -5.786 28.433 1.00 14.27 C ATOM 1606 NE1 TRP A 192 5.458 -6.428 30.564 1.00 17.59 N ATOM 1607 CE2 TRP A 192 5.433 -6.890 29.289 1.00 14.46 C ATOM 1608 CE3 TRP A 192 5.944 -5.986 27.061 1.00 13.36 C ATOM 1609 CZ2 TRP A 192 5.088 -8.130 28.773 1.00 17.09 C ATOM 1610 CZ3 TRP A 192 5.595 -7.237 26.544 1.00 14.80 C ATOM 1611 CH2 TRP A 192 5.177 -8.280 27.381 1.00 16.10 C ATOM 0 H TRP A 192 4.878 -2.756 27.235 1.00 12.19 H new ATOM 0 HA TRP A 192 5.218 -2.160 29.837 1.00 11.29 H new ATOM 0 HB2 TRP A 192 7.026 -3.357 28.023 1.00 13.28 H new ATOM 0 HB3 TRP A 192 7.389 -3.053 29.509 1.00 13.28 H new ATOM 0 HD1 TRP A 192 5.967 -4.618 31.385 1.00 14.09 H new ATOM 0 HE1 TRP A 192 5.240 -6.893 31.254 1.00 17.59 H new ATOM 0 HE3 TRP A 192 6.219 -5.300 26.496 1.00 13.36 H new ATOM 0 HZ2 TRP A 192 4.811 -8.828 29.322 1.00 17.09 H new ATOM 0 HZ3 TRP A 192 5.641 -7.380 25.626 1.00 14.80 H new ATOM 0 HH2 TRP A 192 4.951 -9.098 27.001 1.00 16.10 H new ATOM 1612 N THR A 193 6.902 -0.250 29.442 1.00 11.26 N ATOM 1613 CA THR A 193 7.646 0.991 29.120 1.00 12.81 C ATOM 1614 C THR A 193 8.873 1.169 30.009 1.00 13.39 C ATOM 1615 O THR A 193 8.881 0.764 31.174 1.00 13.69 O ATOM 1616 CB THR A 193 6.717 2.226 29.181 1.00 13.08 C ATOM 1617 OG1 THR A 193 7.424 3.408 28.736 1.00 13.15 O ATOM 1618 CG2 THR A 193 6.137 2.423 30.639 1.00 13.03 C ATOM 0 H THR A 193 6.877 -0.452 30.277 1.00 11.26 H new ATOM 0 HA THR A 193 7.970 0.906 28.209 1.00 12.81 H new ATOM 0 HB THR A 193 5.967 2.078 28.584 1.00 13.08 H new ATOM 0 HG1 THR A 193 7.854 3.231 28.037 1.00 13.15 H new ATOM 0 HG21 THR A 193 5.558 3.201 30.655 1.00 13.03 H new ATOM 0 HG22 THR A 193 5.629 1.637 30.894 1.00 13.03 H new ATOM 0 HG23 THR A 193 6.868 2.551 31.264 1.00 13.03 H new ATOM 1619 N TYR A 194 9.929 1.773 29.445 1.00 13.97 N ATOM 1620 CA TYR A 194 11.158 2.020 30.145 1.00 12.82 C ATOM 1621 C TYR A 194 11.937 3.064 29.336 1.00 12.78 C ATOM 1622 O TYR A 194 11.670 3.289 28.126 1.00 11.80 O ATOM 1623 CB TYR A 194 11.965 0.667 30.393 1.00 12.65 C ATOM 1624 CG TYR A 194 12.673 0.246 29.096 1.00 11.09 C ATOM 1625 CD1 TYR A 194 11.973 -0.471 28.114 1.00 10.77 C ATOM 1626 CD2 TYR A 194 14.054 0.570 28.849 1.00 12.28 C ATOM 1627 CE1 TYR A 194 12.608 -0.814 26.890 1.00 10.36 C ATOM 1628 CE2 TYR A 194 14.680 0.235 27.650 1.00 12.29 C ATOM 1629 CZ TYR A 194 13.967 -0.460 26.678 1.00 10.03 C ATOM 1630 OH TYR A 194 14.675 -0.741 25.521 1.00 11.57 O ATOM 0 H TYR A 194 9.934 2.049 28.630 1.00 13.97 H new ATOM 0 HA TYR A 194 10.994 2.371 31.034 1.00 12.82 H new ATOM 0 HB2 TYR A 194 12.615 0.793 31.102 1.00 12.65 H new ATOM 0 HB3 TYR A 194 11.360 -0.033 30.684 1.00 12.65 H new ATOM 0 HD1 TYR A 194 11.090 -0.723 28.265 1.00 10.77 H new ATOM 0 HD2 TYR A 194 14.540 1.014 29.506 1.00 12.28 H new ATOM 0 HE1 TYR A 194 12.136 -1.268 26.230 1.00 10.36 H new ATOM 0 HE2 TYR A 194 15.566 0.474 27.501 1.00 12.29 H new ATOM 0 HH TYR A 194 14.378 -1.446 25.175 1.00 11.57 H new ATOM 1631 N PRO A 195 12.894 3.741 29.980 1.00 12.33 N ATOM 1632 CA PRO A 195 13.708 4.754 29.312 1.00 13.37 C ATOM 1633 C PRO A 195 14.935 4.132 28.643 1.00 12.21 C ATOM 1634 O PRO A 195 15.637 3.358 29.318 1.00 12.54 O ATOM 1635 CB PRO A 195 14.202 5.633 30.496 1.00 14.58 C ATOM 1636 CG PRO A 195 14.146 4.735 31.694 1.00 14.40 C ATOM 1637 CD PRO A 195 13.069 3.710 31.443 1.00 13.83 C ATOM 0 HA PRO A 195 13.212 5.225 28.624 1.00 13.37 H new ATOM 0 HB2 PRO A 195 15.103 5.957 30.341 1.00 14.58 H new ATOM 0 HB3 PRO A 195 13.637 6.413 30.614 1.00 14.58 H new ATOM 0 HG2 PRO A 195 15.002 4.302 31.836 1.00 14.40 H new ATOM 0 HG3 PRO A 195 13.950 5.246 32.495 1.00 14.40 H new ATOM 0 HD2 PRO A 195 13.335 2.830 31.752 1.00 13.83 H new ATOM 0 HD3 PRO A 195 12.247 3.936 31.905 1.00 13.83 H new ATOM 1638 N GLY A 196 15.195 4.429 27.373 1.00 11.08 N ATOM 1639 CA GLY A 196 16.376 3.815 26.738 1.00 13.15 C ATOM 1640 C GLY A 196 16.853 4.670 25.609 1.00 13.27 C ATOM 1641 O GLY A 196 16.903 5.896 25.751 1.00 12.49 O ATOM 0 H GLY A 196 14.731 4.956 26.876 1.00 11.08 H new ATOM 0 HA2 GLY A 196 17.084 3.706 27.392 1.00 13.15 H new ATOM 0 HA3 GLY A 196 16.153 2.930 26.411 1.00 13.15 H new ATOM 1642 N SER A 197 17.274 3.998 24.513 1.00 12.86 N ATOM 1643 CA SER A 197 18.030 4.638 23.451 1.00 12.34 C ATOM 1644 C SER A 197 17.606 4.208 22.092 1.00 12.61 C ATOM 1645 O SER A 197 16.860 3.234 21.942 1.00 12.78 O ATOM 1646 CB SER A 197 19.531 4.284 23.576 1.00 13.65 C ATOM 1647 OG SER A 197 19.785 2.891 23.292 1.00 11.88 O ATOM 0 H SER A 197 17.122 3.162 24.380 1.00 12.86 H new ATOM 0 HA SER A 197 17.867 5.589 23.552 1.00 12.34 H new ATOM 0 HB2 SER A 197 20.044 4.836 22.966 1.00 13.65 H new ATOM 0 HB3 SER A 197 19.838 4.491 24.473 1.00 13.65 H new ATOM 0 HG SER A 197 19.848 2.781 22.462 1.00 11.88 H new ATOM 1648 N LEU A 198 18.164 4.864 21.092 1.00 10.96 N ATOM 1649 CA LEU A 198 18.124 4.285 19.744 1.00 11.07 C ATOM 1650 C LEU A 198 18.838 2.968 19.825 1.00 10.91 C ATOM 1651 O LEU A 198 19.856 2.804 20.528 1.00 12.43 O ATOM 1652 CB LEU A 198 18.868 5.161 18.703 1.00 13.52 C ATOM 1653 CG LEU A 198 18.438 6.607 18.723 1.00 14.95 C ATOM 1654 CD1 LEU A 198 19.328 7.390 17.755 1.00 15.49 C ATOM 1655 CD2 LEU A 198 17.015 6.829 18.333 1.00 15.72 C ATOM 0 H LEU A 198 18.562 5.624 21.158 1.00 10.96 H new ATOM 0 HA LEU A 198 17.199 4.208 19.461 1.00 11.07 H new ATOM 0 HB2 LEU A 198 19.822 5.112 18.871 1.00 13.52 H new ATOM 0 HB3 LEU A 198 18.717 4.797 17.817 1.00 13.52 H new ATOM 0 HG LEU A 198 18.526 6.909 19.641 1.00 14.95 H new ATOM 0 HD11 LEU A 198 19.064 8.323 17.756 1.00 15.49 H new ATOM 0 HD12 LEU A 198 20.254 7.316 18.034 1.00 15.49 H new ATOM 0 HD13 LEU A 198 19.231 7.028 16.860 1.00 15.49 H new ATOM 0 HD21 LEU A 198 16.813 7.777 18.369 1.00 15.72 H new ATOM 0 HD22 LEU A 198 16.872 6.503 17.431 1.00 15.72 H new ATOM 0 HD23 LEU A 198 16.433 6.352 18.945 1.00 15.72 H new ATOM 1656 N THR A 199 18.347 2.001 19.065 1.00 11.69 N ATOM 1657 CA THR A 199 19.043 0.722 19.013 1.00 10.87 C ATOM 1658 C THR A 199 20.063 0.631 17.854 1.00 12.82 C ATOM 1659 O THR A 199 20.625 -0.476 17.624 1.00 13.17 O ATOM 1660 CB THR A 199 17.999 -0.421 18.842 1.00 10.96 C ATOM 1661 OG1 THR A 199 17.480 -0.423 17.503 1.00 12.14 O ATOM 1662 CG2 THR A 199 16.934 -0.330 19.951 1.00 11.92 C ATOM 0 H THR A 199 17.636 2.058 18.585 1.00 11.69 H new ATOM 0 HA THR A 199 19.536 0.636 19.844 1.00 10.87 H new ATOM 0 HB THR A 199 18.418 -1.288 18.954 1.00 10.96 H new ATOM 0 HG1 THR A 199 17.187 -1.188 17.317 1.00 12.14 H new ATOM 0 HG21 THR A 199 16.287 -1.044 19.838 1.00 11.92 H new ATOM 0 HG22 THR A 199 17.361 -0.415 20.818 1.00 11.92 H new ATOM 0 HG23 THR A 199 16.482 0.526 19.896 1.00 11.92 H new ATOM 1663 N THR A 200 20.250 1.703 17.083 1.00 14.00 N ATOM 1664 CA THR A 200 21.366 1.724 16.119 1.00 14.62 C ATOM 1665 C THR A 200 22.188 2.957 16.431 1.00 14.91 C ATOM 1666 O THR A 200 21.648 3.918 17.033 1.00 13.25 O ATOM 1667 CB THR A 200 20.928 1.874 14.641 1.00 15.14 C ATOM 1668 OG1 THR A 200 20.280 3.163 14.434 1.00 16.84 O ATOM 1669 CG2 THR A 200 19.963 0.779 14.204 1.00 16.34 C ATOM 0 H THR A 200 19.761 2.411 17.096 1.00 14.00 H new ATOM 0 HA THR A 200 21.834 0.879 16.208 1.00 14.62 H new ATOM 0 HB THR A 200 21.735 1.804 14.108 1.00 15.14 H new ATOM 0 HG1 THR A 200 20.862 3.747 14.275 1.00 16.84 H new ATOM 0 HG21 THR A 200 19.718 0.915 13.275 1.00 16.34 H new ATOM 0 HG22 THR A 200 20.390 -0.087 14.302 1.00 16.34 H new ATOM 0 HG23 THR A 200 19.166 0.811 14.756 1.00 16.34 H new ATOM 1670 N PRO A 201 23.462 2.943 15.989 1.00 15.45 N ATOM 1671 CA PRO A 201 24.196 4.240 15.935 1.00 14.89 C ATOM 1672 C PRO A 201 23.250 5.340 15.409 1.00 14.81 C ATOM 1673 O PRO A 201 22.574 5.143 14.387 1.00 15.70 O ATOM 1674 CB PRO A 201 25.305 3.921 14.922 1.00 14.68 C ATOM 1675 CG PRO A 201 25.620 2.491 15.171 1.00 16.54 C ATOM 1676 CD PRO A 201 24.215 1.852 15.277 1.00 15.74 C ATOM 0 HA PRO A 201 24.534 4.562 16.786 1.00 14.89 H new ATOM 0 HB2 PRO A 201 25.006 4.065 14.011 1.00 14.68 H new ATOM 0 HB3 PRO A 201 26.083 4.485 15.058 1.00 14.68 H new ATOM 0 HG2 PRO A 201 26.139 2.104 14.448 1.00 16.54 H new ATOM 0 HG3 PRO A 201 26.134 2.371 15.985 1.00 16.54 H new ATOM 0 HD2 PRO A 201 23.836 1.651 14.407 1.00 15.74 H new ATOM 0 HD3 PRO A 201 24.225 1.023 15.781 1.00 15.74 H new ATOM 1677 N PRO A 202 23.290 6.567 16.005 1.00 16.39 N ATOM 1678 CA PRO A 202 24.202 7.039 17.049 1.00 17.26 C ATOM 1679 C PRO A 202 23.868 6.649 18.484 1.00 14.17 C ATOM 1680 O PRO A 202 24.504 7.079 19.451 1.00 16.13 O ATOM 1681 CB PRO A 202 24.266 8.557 16.770 1.00 15.34 C ATOM 1682 CG PRO A 202 22.843 8.850 16.374 1.00 17.04 C ATOM 1683 CD PRO A 202 22.463 7.659 15.461 1.00 15.55 C ATOM 0 HA PRO A 202 25.067 6.602 16.997 1.00 17.26 H new ATOM 0 HB2 PRO A 202 24.538 9.061 17.553 1.00 15.34 H new ATOM 0 HB3 PRO A 202 24.893 8.772 16.062 1.00 15.34 H new ATOM 0 HG2 PRO A 202 22.262 8.905 17.149 1.00 17.04 H new ATOM 0 HG3 PRO A 202 22.771 9.696 15.905 1.00 17.04 H new ATOM 0 HD2 PRO A 202 21.516 7.454 15.509 1.00 15.55 H new ATOM 0 HD3 PRO A 202 22.667 7.838 14.530 1.00 15.55 H new ATOM 1684 N LEU A 203 22.876 5.729 18.652 1.00 13.43 N ATOM 1685 CA LEU A 203 22.646 5.146 20.012 1.00 12.38 C ATOM 1686 C LEU A 203 22.277 6.162 21.120 1.00 11.34 C ATOM 1687 O LEU A 203 22.396 5.904 22.313 1.00 13.77 O ATOM 1688 CB LEU A 203 23.743 4.199 20.539 1.00 13.67 C ATOM 1689 CG LEU A 203 24.114 3.055 19.574 1.00 14.59 C ATOM 1690 CD1 LEU A 203 25.364 2.437 20.188 1.00 16.89 C ATOM 1691 CD2 LEU A 203 22.961 2.008 19.556 1.00 14.37 C ATOM 0 H LEU A 203 22.354 5.443 18.032 1.00 13.43 H new ATOM 0 HA LEU A 203 21.862 4.606 19.825 1.00 12.38 H new ATOM 0 HB2 LEU A 203 24.540 4.719 20.729 1.00 13.67 H new ATOM 0 HB3 LEU A 203 23.448 3.815 21.380 1.00 13.67 H new ATOM 0 HG LEU A 203 24.258 3.356 18.663 1.00 14.59 H new ATOM 0 HD11 LEU A 203 25.666 1.700 19.635 1.00 16.89 H new ATOM 0 HD12 LEU A 203 26.063 3.107 20.243 1.00 16.89 H new ATOM 0 HD13 LEU A 203 25.160 2.110 21.078 1.00 16.89 H new ATOM 0 HD21 LEU A 203 23.189 1.286 18.950 1.00 14.37 H new ATOM 0 HD22 LEU A 203 22.833 1.652 20.449 1.00 14.37 H new ATOM 0 HD23 LEU A 203 22.142 2.433 19.257 1.00 14.37 H new ATOM 1692 N LEU A 204 21.705 7.266 20.672 1.00 13.25 N ATOM 1693 CA LEU A 204 21.305 8.386 21.574 1.00 15.61 C ATOM 1694 C LEU A 204 20.307 7.983 22.624 1.00 15.45 C ATOM 1695 O LEU A 204 19.324 7.248 22.339 1.00 14.26 O ATOM 1696 CB LEU A 204 20.748 9.524 20.698 1.00 15.81 C ATOM 1697 CG LEU A 204 21.811 10.144 19.768 1.00 18.18 C ATOM 1698 CD1 LEU A 204 21.194 11.117 18.785 1.00 21.68 C ATOM 1699 CD2 LEU A 204 22.994 10.786 20.568 1.00 21.04 C ATOM 0 H LEU A 204 21.530 7.406 19.842 1.00 13.25 H new ATOM 0 HA LEU A 204 22.089 8.676 22.066 1.00 15.61 H new ATOM 0 HB2 LEU A 204 20.015 9.183 20.161 1.00 15.81 H new ATOM 0 HB3 LEU A 204 20.383 10.217 21.270 1.00 15.81 H new ATOM 0 HG LEU A 204 22.192 9.418 19.249 1.00 18.18 H new ATOM 0 HD11 LEU A 204 21.888 11.487 18.217 1.00 21.68 H new ATOM 0 HD12 LEU A 204 20.541 10.654 18.237 1.00 21.68 H new ATOM 0 HD13 LEU A 204 20.757 11.834 19.270 1.00 21.68 H new ATOM 0 HD21 LEU A 204 23.638 11.163 19.948 1.00 21.04 H new ATOM 0 HD22 LEU A 204 22.652 11.487 21.144 1.00 21.04 H new ATOM 0 HD23 LEU A 204 23.426 10.106 21.108 1.00 21.04 H new ATOM 1700 N GLU A 205 20.531 8.455 23.861 1.00 15.80 N ATOM 1701 CA GLU A 205 19.730 8.064 24.984 1.00 15.59 C ATOM 1702 C GLU A 205 18.543 9.030 25.109 1.00 17.82 C ATOM 1703 O GLU A 205 18.442 9.784 26.104 1.00 18.53 O ATOM 1704 CB GLU A 205 20.590 7.943 26.251 1.00 18.25 C ATOM 1705 CG GLU A 205 21.372 6.607 26.176 1.00 15.55 C ATOM 1706 CD GLU A 205 22.371 6.389 27.285 1.00 19.59 C ATOM 1707 OE1 GLU A 205 22.639 7.346 28.058 1.00 21.58 O ATOM 1708 OE2 GLU A 205 22.844 5.239 27.414 1.00 16.52 O ATOM 0 H GLU A 205 21.158 9.011 24.053 1.00 15.80 H new ATOM 0 HA GLU A 205 19.358 7.178 24.852 1.00 15.59 H new ATOM 0 HB2 GLU A 205 21.204 8.691 26.317 1.00 18.25 H new ATOM 0 HB3 GLU A 205 20.031 7.964 27.043 1.00 18.25 H new ATOM 0 HG2 GLU A 205 20.736 5.875 26.184 1.00 15.55 H new ATOM 0 HG3 GLU A 205 21.839 6.568 25.327 1.00 15.55 H new ATOM 1709 N CYS A 206 17.634 8.968 24.115 1.00 14.26 N ATOM 1710 CA CYS A 206 16.587 9.976 23.938 1.00 13.49 C ATOM 1711 C CYS A 206 15.222 9.330 23.788 1.00 13.49 C ATOM 1712 O CYS A 206 14.297 10.010 23.374 1.00 12.43 O ATOM 1713 CB CYS A 206 16.885 10.780 22.661 1.00 12.74 C ATOM 1714 SG CYS A 206 16.909 9.821 21.101 1.00 14.85 S ATOM 0 H CYS A 206 17.614 8.338 23.530 1.00 14.26 H new ATOM 0 HA CYS A 206 16.578 10.549 24.721 1.00 13.49 H new ATOM 0 HB2 CYS A 206 16.221 11.482 22.579 1.00 12.74 H new ATOM 0 HB3 CYS A 206 17.746 11.215 22.767 1.00 12.74 H new ATOM 0 HG CYS A 206 17.149 10.556 20.183 1.00 14.85 H new ATOM 1715 N VAL A 207 15.109 8.026 24.060 1.00 11.33 N ATOM 1716 CA VAL A 207 13.834 7.302 23.738 1.00 11.42 C ATOM 1717 C VAL A 207 13.054 6.858 24.971 1.00 11.64 C ATOM 1718 O VAL A 207 13.589 6.228 25.918 1.00 14.01 O ATOM 1719 CB VAL A 207 14.155 6.033 22.866 1.00 10.96 C ATOM 1720 CG1 VAL A 207 12.784 5.351 22.597 1.00 12.84 C ATOM 1721 CG2 VAL A 207 14.939 6.381 21.565 1.00 11.35 C ATOM 0 H VAL A 207 15.725 7.543 24.417 1.00 11.33 H new ATOM 0 HA VAL A 207 13.277 7.934 23.257 1.00 11.42 H new ATOM 0 HB VAL A 207 14.753 5.427 23.331 1.00 10.96 H new ATOM 0 HG11 VAL A 207 12.918 4.555 22.059 1.00 12.84 H new ATOM 0 HG12 VAL A 207 12.374 5.105 23.441 1.00 12.84 H new ATOM 0 HG13 VAL A 207 12.203 5.967 22.123 1.00 12.84 H new ATOM 0 HG21 VAL A 207 15.112 5.569 21.064 1.00 11.35 H new ATOM 0 HG22 VAL A 207 14.413 6.989 21.023 1.00 11.35 H new ATOM 0 HG23 VAL A 207 15.781 6.803 21.797 1.00 11.35 H new ATOM 1722 N THR A 208 11.763 7.164 25.013 1.00 10.54 N ATOM 1723 CA THR A 208 10.867 6.471 25.889 1.00 10.34 C ATOM 1724 C THR A 208 10.322 5.290 25.103 1.00 10.89 C ATOM 1725 O THR A 208 9.668 5.502 24.078 1.00 10.34 O ATOM 1726 CB THR A 208 9.667 7.363 26.341 1.00 12.13 C ATOM 1727 OG1 THR A 208 10.156 8.430 27.155 1.00 12.70 O ATOM 1728 CG2 THR A 208 8.751 6.531 27.218 1.00 11.51 C ATOM 0 H THR A 208 11.395 7.776 24.534 1.00 10.54 H new ATOM 0 HA THR A 208 11.345 6.206 26.690 1.00 10.34 H new ATOM 0 HB THR A 208 9.205 7.703 25.558 1.00 12.13 H new ATOM 0 HG1 THR A 208 10.291 9.108 26.678 1.00 12.70 H new ATOM 0 HG21 THR A 208 8.000 7.072 27.507 1.00 11.51 H new ATOM 0 HG22 THR A 208 8.425 5.769 26.714 1.00 11.51 H new ATOM 0 HG23 THR A 208 9.242 6.219 27.994 1.00 11.51 H new ATOM 1729 N TRP A 209 10.626 4.072 25.551 1.00 11.02 N ATOM 1730 CA TRP A 209 10.194 2.884 24.805 1.00 10.09 C ATOM 1731 C TRP A 209 8.841 2.411 25.296 1.00 11.13 C ATOM 1732 O TRP A 209 8.634 2.380 26.507 1.00 12.00 O ATOM 1733 CB TRP A 209 11.218 1.703 24.986 1.00 10.84 C ATOM 1734 CG TRP A 209 12.332 1.833 24.048 1.00 10.68 C ATOM 1735 CD1 TRP A 209 13.626 2.361 24.240 1.00 10.46 C ATOM 1736 CD2 TRP A 209 12.277 1.441 22.651 1.00 10.85 C ATOM 1737 NE1 TRP A 209 14.292 2.389 23.061 1.00 10.51 N ATOM 1738 CE2 TRP A 209 13.575 1.764 22.084 1.00 10.80 C ATOM 1739 CE3 TRP A 209 11.287 0.800 21.844 1.00 10.51 C ATOM 1740 CZ2 TRP A 209 13.853 1.573 20.743 1.00 10.42 C ATOM 1741 CZ3 TRP A 209 11.580 0.560 20.524 1.00 11.40 C ATOM 1742 CH2 TRP A 209 12.865 0.896 19.976 1.00 10.76 C ATOM 0 H TRP A 209 11.072 3.911 26.269 1.00 11.02 H new ATOM 0 HA TRP A 209 10.143 3.134 23.869 1.00 10.09 H new ATOM 0 HB2 TRP A 209 11.555 1.698 25.896 1.00 10.84 H new ATOM 0 HB3 TRP A 209 10.768 0.855 24.845 1.00 10.84 H new ATOM 0 HD1 TRP A 209 13.971 2.647 25.055 1.00 10.46 H new ATOM 0 HE1 TRP A 209 15.063 2.752 22.944 1.00 10.51 H new ATOM 0 HE3 TRP A 209 10.466 0.552 22.203 1.00 10.51 H new ATOM 0 HZ2 TRP A 209 14.647 1.872 20.362 1.00 10.42 H new ATOM 0 HZ3 TRP A 209 10.936 0.174 19.976 1.00 11.40 H new ATOM 0 HH2 TRP A 209 13.056 0.664 19.096 1.00 10.76 H new ATOM 1743 N ILE A 210 7.957 2.124 24.367 1.00 11.24 N ATOM 1744 CA ILE A 210 6.586 1.595 24.725 1.00 10.48 C ATOM 1745 C ILE A 210 6.522 0.336 23.874 1.00 9.69 C ATOM 1746 O ILE A 210 6.420 0.447 22.675 1.00 10.39 O ATOM 1747 CB ILE A 210 5.495 2.611 24.371 1.00 11.53 C ATOM 1748 CG1 ILE A 210 5.755 3.939 25.166 1.00 13.50 C ATOM 1749 CG2 ILE A 210 4.106 2.011 24.701 1.00 12.16 C ATOM 1750 CD1 ILE A 210 4.995 5.195 24.642 1.00 14.99 C ATOM 0 H ILE A 210 8.096 2.215 23.523 1.00 11.24 H new ATOM 0 HA ILE A 210 6.446 1.425 25.670 1.00 10.48 H new ATOM 0 HB ILE A 210 5.514 2.815 23.423 1.00 11.53 H new ATOM 0 HG12 ILE A 210 5.510 3.796 26.093 1.00 13.50 H new ATOM 0 HG13 ILE A 210 6.707 4.126 25.150 1.00 13.50 H new ATOM 0 HG21 ILE A 210 3.414 2.653 24.477 1.00 12.16 H new ATOM 0 HG22 ILE A 210 3.973 1.200 24.185 1.00 12.16 H new ATOM 0 HG23 ILE A 210 4.060 1.803 25.647 1.00 12.16 H new ATOM 0 HD11 ILE A 210 5.218 5.962 25.193 1.00 14.99 H new ATOM 0 HD12 ILE A 210 5.255 5.371 23.724 1.00 14.99 H new ATOM 0 HD13 ILE A 210 4.039 5.035 24.682 1.00 14.99 H new ATOM 1751 N VAL A 211 6.543 -0.838 24.480 1.00 10.59 N ATOM 1752 CA VAL A 211 6.551 -2.112 23.752 1.00 10.05 C ATOM 1753 C VAL A 211 5.211 -2.810 24.040 1.00 9.93 C ATOM 1754 O VAL A 211 4.893 -3.061 25.196 1.00 12.32 O ATOM 1755 CB VAL A 211 7.732 -2.985 24.227 1.00 9.24 C ATOM 1756 CG1 VAL A 211 7.743 -4.305 23.427 1.00 10.00 C ATOM 1757 CG2 VAL A 211 9.073 -2.250 23.934 1.00 9.66 C ATOM 0 H VAL A 211 6.553 -0.927 25.335 1.00 10.59 H new ATOM 0 HA VAL A 211 6.658 -1.967 22.799 1.00 10.05 H new ATOM 0 HB VAL A 211 7.635 -3.156 25.177 1.00 9.24 H new ATOM 0 HG11 VAL A 211 8.484 -4.857 23.723 1.00 10.00 H new ATOM 0 HG12 VAL A 211 6.909 -4.779 23.573 1.00 10.00 H new ATOM 0 HG13 VAL A 211 7.843 -4.110 22.482 1.00 10.00 H new ATOM 0 HG21 VAL A 211 9.815 -2.799 24.233 1.00 9.66 H new ATOM 0 HG22 VAL A 211 9.153 -2.090 22.981 1.00 9.66 H new ATOM 0 HG23 VAL A 211 9.088 -1.403 24.406 1.00 9.66 H new ATOM 1758 N LEU A 212 4.473 -3.100 22.993 1.00 10.83 N ATOM 1759 CA LEU A 212 3.139 -3.749 23.150 1.00 11.06 C ATOM 1760 C LEU A 212 3.357 -5.196 23.537 1.00 12.17 C ATOM 1761 O LEU A 212 4.253 -5.851 23.014 1.00 14.05 O ATOM 1762 CB LEU A 212 2.368 -3.674 21.845 1.00 11.00 C ATOM 1763 CG LEU A 212 1.961 -2.220 21.427 1.00 13.48 C ATOM 1764 CD1 LEU A 212 0.855 -2.268 20.349 1.00 15.10 C ATOM 1765 CD2 LEU A 212 1.628 -1.319 22.639 1.00 12.03 C ATOM 0 H LEU A 212 4.702 -2.941 22.180 1.00 10.83 H new ATOM 0 HA LEU A 212 2.626 -3.293 23.836 1.00 11.06 H new ATOM 0 HB2 LEU A 212 2.907 -4.065 21.139 1.00 11.00 H new ATOM 0 HB3 LEU A 212 1.566 -4.215 21.922 1.00 11.00 H new ATOM 0 HG LEU A 212 2.730 -1.789 21.023 1.00 13.48 H new ATOM 0 HD11 LEU A 212 0.610 -1.364 20.097 1.00 15.10 H new ATOM 0 HD12 LEU A 212 1.183 -2.743 19.570 1.00 15.10 H new ATOM 0 HD13 LEU A 212 0.077 -2.727 20.703 1.00 15.10 H new ATOM 0 HD21 LEU A 212 1.383 -0.434 22.327 1.00 12.03 H new ATOM 0 HD22 LEU A 212 0.887 -1.703 23.134 1.00 12.03 H new ATOM 0 HD23 LEU A 212 2.404 -1.254 23.217 1.00 12.03 H new ATOM 1766 N LYS A 213 2.487 -5.680 24.466 1.00 13.07 N ATOM 1767 CA LYS A 213 2.538 -7.084 24.907 1.00 14.39 C ATOM 1768 C LYS A 213 2.050 -8.015 23.817 1.00 13.77 C ATOM 1769 O LYS A 213 2.554 -9.113 23.633 1.00 14.59 O ATOM 1770 CB LYS A 213 1.738 -7.252 26.224 1.00 17.60 C ATOM 1771 CG LYS A 213 1.429 -8.712 26.656 1.00 22.02 C ATOM 1772 CD LYS A 213 0.305 -8.750 27.719 1.00 29.45 C ATOM 1773 CE LYS A 213 -1.164 -8.570 27.216 1.00 33.73 C ATOM 1774 NZ LYS A 213 -1.556 -7.744 25.994 1.00 35.09 N ATOM 0 H LYS A 213 1.872 -5.210 24.841 1.00 13.07 H new ATOM 0 HA LYS A 213 3.460 -7.327 25.086 1.00 14.39 H new ATOM 0 HB2 LYS A 213 2.232 -6.821 26.938 1.00 17.60 H new ATOM 0 HB3 LYS A 213 0.898 -6.776 26.133 1.00 17.60 H new ATOM 0 HG2 LYS A 213 1.164 -9.233 25.882 1.00 22.02 H new ATOM 0 HG3 LYS A 213 2.231 -9.124 27.014 1.00 22.02 H new ATOM 0 HD2 LYS A 213 0.361 -9.599 28.185 1.00 29.45 H new ATOM 0 HD3 LYS A 213 0.486 -8.056 28.372 1.00 29.45 H new ATOM 0 HE2 LYS A 213 -1.507 -9.464 27.060 1.00 33.73 H new ATOM 0 HE3 LYS A 213 -1.662 -8.201 27.962 1.00 33.73 H new ATOM 0 HZ1 LYS A 213 -2.422 -7.543 26.037 1.00 35.09 H new ATOM 0 HZ2 LYS A 213 -1.078 -6.993 25.977 1.00 35.09 H new ATOM 0 HZ3 LYS A 213 -1.397 -8.213 25.255 1.00 35.09 H new ATOM 1775 N GLU A 214 1.072 -7.578 23.065 1.00 13.73 N ATOM 1776 CA GLU A 214 0.450 -8.475 22.052 1.00 14.41 C ATOM 1777 C GLU A 214 1.162 -8.387 20.720 1.00 13.82 C ATOM 1778 O GLU A 214 1.190 -7.323 20.107 1.00 12.38 O ATOM 1779 CB GLU A 214 -1.009 -8.080 21.821 1.00 13.97 C ATOM 1780 CG GLU A 214 -1.713 -9.032 20.858 1.00 16.86 C ATOM 1781 CD GLU A 214 -3.202 -8.652 20.648 1.00 23.44 C ATOM 1782 OE1 GLU A 214 -3.758 -8.029 21.537 1.00 23.74 O ATOM 1783 OE2 GLU A 214 -3.797 -8.985 19.595 1.00 33.36 O ATOM 0 H GLU A 214 0.741 -6.785 23.104 1.00 13.73 H new ATOM 0 HA GLU A 214 0.515 -9.379 22.398 1.00 14.41 H new ATOM 0 HB2 GLU A 214 -1.480 -8.073 22.669 1.00 13.97 H new ATOM 0 HB3 GLU A 214 -1.047 -7.177 21.468 1.00 13.97 H new ATOM 0 HG2 GLU A 214 -1.254 -9.023 20.003 1.00 16.86 H new ATOM 0 HG3 GLU A 214 -1.657 -9.938 21.201 1.00 16.86 H new ATOM 1784 N PRO A 215 1.793 -9.481 20.243 1.00 12.77 N ATOM 1785 CA PRO A 215 2.418 -9.440 18.913 1.00 13.24 C ATOM 1786 C PRO A 215 1.371 -9.434 17.790 1.00 14.46 C ATOM 1787 O PRO A 215 0.145 -9.791 18.034 1.00 14.99 O ATOM 1788 CB PRO A 215 3.243 -10.773 18.825 1.00 13.77 C ATOM 1789 CG PRO A 215 2.465 -11.710 19.751 1.00 16.86 C ATOM 1790 CD PRO A 215 1.805 -10.850 20.852 1.00 14.44 C ATOM 0 HA PRO A 215 2.953 -8.638 18.805 1.00 13.24 H new ATOM 0 HB2 PRO A 215 3.282 -11.114 17.918 1.00 13.77 H new ATOM 0 HB3 PRO A 215 4.158 -10.651 19.122 1.00 13.77 H new ATOM 0 HG2 PRO A 215 1.791 -12.198 19.252 1.00 16.86 H new ATOM 0 HG3 PRO A 215 3.059 -12.368 20.145 1.00 16.86 H new ATOM 0 HD2 PRO A 215 0.909 -11.159 21.061 1.00 14.44 H new ATOM 0 HD3 PRO A 215 2.313 -10.872 21.678 1.00 14.44 H new ATOM 1791 N ILE A 216 1.811 -9.017 16.624 1.00 13.59 N ATOM 1792 CA ILE A 216 1.001 -9.213 15.443 1.00 14.68 C ATOM 1793 C ILE A 216 1.535 -10.473 14.761 1.00 14.41 C ATOM 1794 O ILE A 216 2.727 -10.814 14.847 1.00 15.56 O ATOM 1795 CB ILE A 216 1.016 -7.993 14.459 1.00 14.10 C ATOM 1796 CG1 ILE A 216 2.435 -7.633 13.931 1.00 15.02 C ATOM 1797 CG2 ILE A 216 0.253 -6.775 15.103 1.00 15.49 C ATOM 1798 CD1 ILE A 216 2.475 -6.679 12.684 1.00 13.84 C ATOM 0 H ILE A 216 2.564 -8.623 16.493 1.00 13.59 H new ATOM 0 HA ILE A 216 0.071 -9.304 15.703 1.00 14.68 H new ATOM 0 HB ILE A 216 0.536 -8.253 13.657 1.00 14.10 H new ATOM 0 HG12 ILE A 216 2.935 -7.218 14.651 1.00 15.02 H new ATOM 0 HG13 ILE A 216 2.896 -8.456 13.703 1.00 15.02 H new ATOM 0 HG21 ILE A 216 0.266 -6.024 14.489 1.00 15.49 H new ATOM 0 HG22 ILE A 216 -0.666 -7.028 15.285 1.00 15.49 H new ATOM 0 HG23 ILE A 216 0.688 -6.522 15.932 1.00 15.49 H new ATOM 0 HD11 ILE A 216 3.397 -6.515 12.432 1.00 13.84 H new ATOM 0 HD12 ILE A 216 2.007 -7.095 11.943 1.00 13.84 H new ATOM 0 HD13 ILE A 216 2.046 -5.838 12.906 1.00 13.84 H new ATOM 1799 N ASER A 217 0.622 -11.118 14.020 0.50 14.01 N ATOM 1800 N BSER A 217 0.661 -11.149 14.046 0.50 14.59 N ATOM 1801 CA ASER A 217 0.925 -12.269 13.136 0.50 13.73 C ATOM 1802 CA BSER A 217 1.160 -12.250 13.257 0.50 14.42 C ATOM 1803 C ASER A 217 1.209 -11.817 11.682 0.50 14.40 C ATOM 1804 C BSER A 217 1.223 -11.865 11.773 0.50 15.09 C ATOM 1805 O ASER A 217 0.468 -11.003 11.075 0.50 15.02 O ATOM 1806 O BSER A 217 0.350 -11.113 11.264 0.50 16.36 O ATOM 1807 CB ASER A 217 -0.228 -13.299 13.212 0.50 13.87 C ATOM 1808 CB BSER A 217 0.370 -13.490 13.557 0.50 15.77 C ATOM 1809 OG ASER A 217 -0.127 -14.030 14.464 0.50 15.40 O ATOM 1810 OG BSER A 217 0.062 -14.181 12.402 0.50 17.33 O ATOM 0 H ASER A 217 -0.209 -10.897 14.014 0.50 14.59 H new ATOM 0 H BSER A 217 -0.185 -10.998 14.002 0.50 14.59 H new ATOM 0 HA ASER A 217 1.738 -12.697 13.447 0.50 14.42 H new ATOM 0 HA BSER A 217 2.076 -12.456 13.500 0.50 14.42 H new ATOM 0 HB2ASER A 217 -1.085 -12.848 13.156 0.50 15.77 H new ATOM 0 HB2BSER A 217 0.877 -14.063 14.153 0.50 15.77 H new ATOM 0 HB3ASER A 217 -0.180 -13.912 12.461 0.50 15.77 H new ATOM 0 HB3BSER A 217 -0.448 -13.251 14.021 0.50 15.77 H new ATOM 0 HG ASER A 217 -0.419 -14.810 14.358 0.50 17.33 H new ATOM 0 HG BSER A 217 -0.245 -13.648 11.830 0.50 17.33 H new ATOM 1811 N VAL A 218 2.300 -12.300 11.133 1.00 14.08 N ATOM 1812 CA VAL A 218 2.570 -12.061 9.727 1.00 13.15 C ATOM 1813 C VAL A 218 2.835 -13.434 9.121 1.00 13.06 C ATOM 1814 O VAL A 218 3.175 -14.361 9.838 1.00 14.58 O ATOM 1815 CB VAL A 218 3.778 -11.132 9.470 1.00 13.58 C ATOM 1816 CG1 VAL A 218 3.513 -9.829 10.155 1.00 13.69 C ATOM 1817 CG2 VAL A 218 5.080 -11.770 9.950 1.00 13.28 C ATOM 0 H AVAL A 218 2.894 -12.764 11.547 0.50 14.08 H new ATOM 0 H BVAL A 218 2.915 -12.759 11.521 0.50 14.08 H new ATOM 0 HA VAL A 218 1.813 -11.604 9.329 1.00 13.15 H new ATOM 0 HB VAL A 218 3.886 -10.982 8.518 1.00 13.58 H new ATOM 0 HG11 VAL A 218 4.260 -9.228 10.007 1.00 13.69 H new ATOM 0 HG12 VAL A 218 2.704 -9.433 9.796 1.00 13.69 H new ATOM 0 HG13 VAL A 218 3.403 -9.980 11.107 1.00 13.69 H new ATOM 0 HG21 VAL A 218 5.819 -11.167 9.777 1.00 13.28 H new ATOM 0 HG22 VAL A 218 5.023 -11.945 10.902 1.00 13.28 H new ATOM 0 HG23 VAL A 218 5.226 -12.604 9.476 1.00 13.28 H new ATOM 1818 N SER A 219 2.627 -13.586 7.831 1.00 13.36 N ATOM 1819 CA SER A 219 2.886 -14.897 7.243 1.00 14.09 C ATOM 1820 C SER A 219 4.361 -15.180 6.958 1.00 13.56 C ATOM 1821 O SER A 219 5.210 -14.285 6.856 1.00 13.94 O ATOM 1822 CB SER A 219 2.103 -15.109 5.967 1.00 14.23 C ATOM 1823 OG SER A 219 2.629 -14.321 4.915 1.00 17.58 O ATOM 0 H SER A 219 2.348 -12.977 7.291 1.00 13.36 H new ATOM 0 HA SER A 219 2.593 -15.520 7.926 1.00 14.09 H new ATOM 0 HB2 SER A 219 2.130 -16.046 5.719 1.00 14.23 H new ATOM 0 HB3 SER A 219 1.172 -14.881 6.113 1.00 14.23 H new ATOM 0 HG SER A 219 2.177 -14.446 4.218 1.00 17.58 H new ATOM 1824 N ASER A 220 4.697 -16.454 6.823 0.50 13.81 N ATOM 1825 N BSER A 220 4.664 -16.457 6.823 0.50 13.41 N ATOM 1826 CA ASER A 220 6.068 -16.786 6.490 0.50 14.75 C ATOM 1827 CA BSER A 220 5.998 -16.855 6.471 0.50 14.28 C ATOM 1828 C ASER A 220 6.439 -16.143 5.133 0.50 15.97 C ATOM 1829 C BSER A 220 6.416 -16.169 5.152 0.50 15.54 C ATOM 1830 O ASER A 220 7.592 -15.683 4.978 0.50 16.24 O ATOM 1831 O BSER A 220 7.576 -15.705 5.045 0.50 15.92 O ATOM 1832 CB ASER A 220 6.278 -18.318 6.493 0.50 16.06 C ATOM 1833 CB BSER A 220 6.045 -18.395 6.363 0.50 14.39 C ATOM 1834 OG ASER A 220 5.403 -18.950 5.583 0.50 16.42 O ATOM 1835 OG BSER A 220 7.369 -18.815 6.134 0.50 14.52 O ATOM 0 H ASER A 220 4.164 -17.122 6.917 0.50 13.41 H new ATOM 0 H BSER A 220 4.109 -17.104 6.932 0.50 13.41 H new ATOM 0 HA ASER A 220 6.664 -16.424 7.165 0.50 14.28 H new ATOM 0 HA BSER A 220 6.629 -16.578 7.153 0.50 14.28 H new ATOM 0 HB2ASER A 220 7.197 -18.522 6.259 0.50 14.39 H new ATOM 0 HB2BSER A 220 5.706 -18.796 7.179 0.50 14.39 H new ATOM 0 HB3ASER A 220 6.129 -18.667 7.386 0.50 14.39 H new ATOM 0 HB3BSER A 220 5.472 -18.695 5.640 0.50 14.39 H new ATOM 0 HG ASER A 220 4.635 -18.997 5.919 0.50 14.52 H new ATOM 0 HG BSER A 220 7.899 -18.194 6.334 0.50 14.52 H new ATOM 1836 N GLU A 221 5.500 -16.097 4.165 1.00 15.40 N ATOM 1837 CA GLU A 221 5.780 -15.479 2.832 1.00 17.19 C ATOM 1838 C GLU A 221 6.099 -13.956 2.997 1.00 15.23 C ATOM 1839 O GLU A 221 6.984 -13.428 2.313 1.00 15.10 O ATOM 1840 CB GLU A 221 4.647 -15.629 1.877 1.00 19.58 C ATOM 1841 CG GLU A 221 4.487 -17.083 1.474 1.00 23.90 C ATOM 1842 CD GLU A 221 3.495 -17.818 2.343 1.00 30.22 C ATOM 1843 OE1 GLU A 221 3.118 -17.392 3.475 1.00 25.98 O ATOM 1844 OE2 GLU A 221 3.042 -18.880 1.858 1.00 35.66 O ATOM 0 H AGLU A 221 4.704 -16.411 4.252 0.50 15.40 H new ATOM 0 H BGLU A 221 4.700 -16.402 4.243 0.50 15.40 H new ATOM 0 HA GLU A 221 6.545 -15.951 2.467 1.00 17.19 H new ATOM 0 HB2 GLU A 221 3.828 -15.308 2.285 1.00 19.58 H new ATOM 0 HB3 GLU A 221 4.805 -15.084 1.090 1.00 19.58 H new ATOM 0 HG2 GLU A 221 4.199 -17.129 0.549 1.00 23.90 H new ATOM 0 HG3 GLU A 221 5.348 -17.526 1.525 1.00 23.90 H new ATOM 1845 N GLN A 222 5.375 -13.309 3.916 1.00 15.39 N ATOM 1846 CA GLN A 222 5.639 -11.855 4.174 1.00 14.60 C ATOM 1847 C GLN A 222 7.050 -11.624 4.716 1.00 15.54 C ATOM 1848 O GLN A 222 7.810 -10.813 4.199 1.00 14.77 O ATOM 1849 CB GLN A 222 4.585 -11.268 5.097 1.00 15.80 C ATOM 1850 CG GLN A 222 3.236 -11.129 4.384 1.00 15.17 C ATOM 1851 CD GLN A 222 2.131 -10.601 5.248 1.00 15.50 C ATOM 1852 OE1 GLN A 222 2.009 -10.951 6.409 1.00 14.41 O ATOM 1853 NE2 GLN A 222 1.331 -9.691 4.691 1.00 14.62 N ATOM 0 H GLN A 222 4.750 -13.661 4.390 1.00 15.39 H new ATOM 0 HA GLN A 222 5.582 -11.391 3.324 1.00 14.60 H new ATOM 0 HB2 GLN A 222 4.484 -11.835 5.878 1.00 15.80 H new ATOM 0 HB3 GLN A 222 4.877 -10.399 5.414 1.00 15.80 H new ATOM 0 HG2 GLN A 222 3.345 -10.540 3.621 1.00 15.17 H new ATOM 0 HG3 GLN A 222 2.975 -11.997 4.038 1.00 15.17 H new ATOM 0 HE21 GLN A 222 1.443 -9.465 3.869 1.00 14.62 H new ATOM 0 HE22 GLN A 222 0.703 -9.330 5.154 1.00 14.62 H new ATOM 1854 N VAL A 223 7.446 -12.422 5.730 1.00 14.60 N ATOM 1855 CA VAL A 223 8.781 -12.181 6.308 1.00 15.25 C ATOM 1856 C VAL A 223 9.909 -12.657 5.353 1.00 15.12 C ATOM 1857 O VAL A 223 11.020 -12.072 5.256 1.00 14.38 O ATOM 1858 CB VAL A 223 8.900 -12.757 7.732 1.00 17.25 C ATOM 1859 CG1 VAL A 223 9.014 -14.272 7.739 1.00 18.68 C ATOM 1860 CG2 VAL A 223 10.118 -12.133 8.437 1.00 17.13 C ATOM 0 H VAL A 223 6.991 -13.064 6.076 1.00 14.60 H new ATOM 0 HA VAL A 223 8.896 -11.222 6.402 1.00 15.25 H new ATOM 0 HB VAL A 223 8.086 -12.532 8.209 1.00 17.25 H new ATOM 0 HG11 VAL A 223 9.086 -14.587 8.654 1.00 18.68 H new ATOM 0 HG12 VAL A 223 8.226 -14.658 7.326 1.00 18.68 H new ATOM 0 HG13 VAL A 223 9.803 -14.540 7.242 1.00 18.68 H new ATOM 0 HG21 VAL A 223 10.194 -12.495 9.334 1.00 17.13 H new ATOM 0 HG22 VAL A 223 10.923 -12.339 7.936 1.00 17.13 H new ATOM 0 HG23 VAL A 223 10.006 -11.171 8.486 1.00 17.13 H new ATOM 1861 N LEU A 224 9.631 -13.705 4.565 1.00 16.07 N ATOM 1862 CA LEU A 224 10.585 -14.129 3.536 1.00 16.87 C ATOM 1863 C LEU A 224 10.894 -13.007 2.538 1.00 17.20 C ATOM 1864 O LEU A 224 12.037 -12.900 2.078 1.00 18.32 O ATOM 1865 CB LEU A 224 10.051 -15.360 2.796 1.00 18.17 C ATOM 1866 CG LEU A 224 10.429 -16.640 3.522 1.00 23.60 C ATOM 1867 CD1 LEU A 224 9.376 -17.724 3.162 1.00 29.10 C ATOM 1868 CD2 LEU A 224 11.804 -16.970 2.944 1.00 27.52 C ATOM 0 H LEU A 224 8.911 -14.173 4.610 1.00 16.07 H new ATOM 0 HA LEU A 224 11.414 -14.355 3.985 1.00 16.87 H new ATOM 0 HB2 LEU A 224 9.086 -15.301 2.719 1.00 18.17 H new ATOM 0 HB3 LEU A 224 10.407 -15.379 1.894 1.00 18.17 H new ATOM 0 HG LEU A 224 10.453 -16.577 4.490 1.00 23.60 H new ATOM 0 HD11 LEU A 224 9.597 -18.553 3.615 1.00 29.10 H new ATOM 0 HD12 LEU A 224 8.496 -17.427 3.443 1.00 29.10 H new ATOM 0 HD13 LEU A 224 9.377 -17.870 2.203 1.00 29.10 H new ATOM 0 HD21 LEU A 224 12.139 -17.785 3.350 1.00 27.52 H new ATOM 0 HD22 LEU A 224 11.731 -17.093 1.985 1.00 27.52 H new ATOM 0 HD23 LEU A 224 12.417 -16.241 3.130 1.00 27.52 H new ATOM 1869 N LYS A 225 9.884 -12.198 2.210 1.00 17.23 N ATOM 1870 CA LYS A 225 10.140 -11.081 1.329 1.00 17.86 C ATOM 1871 C LYS A 225 11.023 -9.981 1.991 1.00 15.35 C ATOM 1872 O LYS A 225 11.843 -9.389 1.302 1.00 18.23 O ATOM 1873 CB LYS A 225 8.819 -10.574 0.774 1.00 17.06 C ATOM 1874 CG LYS A 225 8.234 -11.662 -0.141 1.00 21.81 C ATOM 1875 CD LYS A 225 7.321 -11.106 -1.213 1.00 28.17 C ATOM 1876 CE LYS A 225 6.520 -12.249 -1.860 1.00 31.92 C ATOM 1877 NZ LYS A 225 5.154 -11.843 -2.329 1.00 36.69 N ATOM 0 H LYS A 225 9.072 -12.281 2.481 1.00 17.23 H new ATOM 0 HA LYS A 225 10.678 -11.380 0.579 1.00 17.86 H new ATOM 0 HB2 LYS A 225 8.204 -10.372 1.496 1.00 17.06 H new ATOM 0 HB3 LYS A 225 8.954 -9.751 0.278 1.00 17.06 H new ATOM 0 HG2 LYS A 225 8.960 -12.148 -0.562 1.00 21.81 H new ATOM 0 HG3 LYS A 225 7.741 -12.300 0.398 1.00 21.81 H new ATOM 0 HD2 LYS A 225 6.716 -10.454 -0.827 1.00 28.17 H new ATOM 0 HD3 LYS A 225 7.844 -10.644 -1.887 1.00 28.17 H new ATOM 0 HE2 LYS A 225 7.021 -12.597 -2.614 1.00 31.92 H new ATOM 0 HE3 LYS A 225 6.431 -12.973 -1.220 1.00 31.92 H new ATOM 0 HZ1 LYS A 225 4.744 -12.545 -2.692 1.00 36.69 H new ATOM 0 HZ2 LYS A 225 4.678 -11.546 -1.638 1.00 36.69 H new ATOM 0 HZ3 LYS A 225 5.228 -11.197 -2.936 1.00 36.69 H new ATOM 1878 N PHE A 226 10.889 -9.710 3.299 1.00 13.13 N ATOM 1879 CA PHE A 226 11.879 -8.847 3.990 1.00 13.94 C ATOM 1880 C PHE A 226 13.278 -9.335 3.804 1.00 13.00 C ATOM 1881 O PHE A 226 14.221 -8.567 3.592 1.00 13.36 O ATOM 1882 CB PHE A 226 11.670 -8.871 5.537 1.00 13.72 C ATOM 1883 CG PHE A 226 10.456 -8.073 6.050 1.00 14.51 C ATOM 1884 CD1 PHE A 226 9.378 -7.677 5.247 1.00 15.93 C ATOM 1885 CD2 PHE A 226 10.404 -7.805 7.426 1.00 18.11 C ATOM 1886 CE1 PHE A 226 8.322 -6.957 5.832 1.00 16.49 C ATOM 1887 CE2 PHE A 226 9.370 -7.093 8.023 1.00 18.12 C ATOM 1888 CZ PHE A 226 8.333 -6.643 7.201 1.00 18.01 C ATOM 0 H PHE A 226 10.252 -10.004 3.797 1.00 13.13 H new ATOM 0 HA PHE A 226 11.749 -7.965 3.607 1.00 13.94 H new ATOM 0 HB2 PHE A 226 11.576 -9.794 5.821 1.00 13.72 H new ATOM 0 HB3 PHE A 226 12.470 -8.524 5.962 1.00 13.72 H new ATOM 0 HD1 PHE A 226 9.362 -7.887 4.341 1.00 15.93 H new ATOM 0 HD2 PHE A 226 11.094 -8.119 7.965 1.00 18.11 H new ATOM 0 HE1 PHE A 226 7.606 -6.685 5.305 1.00 16.49 H new ATOM 0 HE2 PHE A 226 9.368 -6.922 8.937 1.00 18.12 H new ATOM 0 HZ PHE A 226 7.645 -6.132 7.563 1.00 18.01 H new ATOM 1889 N ARG A 227 13.452 -10.666 3.874 1.00 14.39 N ATOM 1890 CA ARG A 227 14.767 -11.287 3.782 1.00 14.80 C ATOM 1891 C ARG A 227 15.425 -11.292 2.383 1.00 15.16 C ATOM 1892 O ARG A 227 16.563 -11.663 2.275 1.00 16.98 O ATOM 1893 CB ARG A 227 14.683 -12.776 4.307 1.00 13.59 C ATOM 1894 CG ARG A 227 14.284 -12.900 5.759 1.00 14.05 C ATOM 1895 CD ARG A 227 14.438 -14.337 6.258 1.00 13.75 C ATOM 1896 NE ARG A 227 13.802 -14.441 7.594 1.00 16.14 N ATOM 1897 CZ ARG A 227 12.796 -15.288 7.898 1.00 16.82 C ATOM 1898 NH1 ARG A 227 12.408 -16.211 6.975 1.00 16.78 N ATOM 1899 NH2 ARG A 227 12.235 -15.277 9.112 1.00 16.85 N ATOM 0 H ARG A 227 12.807 -11.225 3.976 1.00 14.39 H new ATOM 0 HA ARG A 227 15.338 -10.728 4.331 1.00 14.80 H new ATOM 0 HB2 ARG A 227 14.044 -13.264 3.764 1.00 13.59 H new ATOM 0 HB3 ARG A 227 15.546 -13.201 4.182 1.00 13.59 H new ATOM 0 HG2 ARG A 227 14.831 -12.308 6.298 1.00 14.05 H new ATOM 0 HG3 ARG A 227 13.364 -12.614 5.869 1.00 14.05 H new ATOM 0 HD2 ARG A 227 14.022 -14.956 5.637 1.00 13.75 H new ATOM 0 HD3 ARG A 227 15.376 -14.577 6.312 1.00 13.75 H new ATOM 0 HE ARG A 227 14.094 -13.926 8.218 1.00 16.14 H new ATOM 0 HH11 ARG A 227 12.803 -16.248 6.212 1.00 16.78 H new ATOM 0 HH12 ARG A 227 11.768 -16.757 7.155 1.00 16.78 H new ATOM 0 HH21 ARG A 227 12.515 -14.726 9.710 1.00 16.85 H new ATOM 0 HH22 ARG A 227 11.595 -15.821 9.295 1.00 16.85 H new ATOM 1900 N LYS A 228 14.695 -10.840 1.374 1.00 17.34 N ATOM 1901 CA LYS A 228 15.205 -10.752 0.010 1.00 18.56 C ATOM 1902 C LYS A 228 15.835 -9.370 -0.230 1.00 17.42 C ATOM 1903 O LYS A 228 16.476 -9.156 -1.255 1.00 19.05 O ATOM 1904 CB LYS A 228 14.085 -10.968 -0.988 1.00 19.88 C ATOM 1905 CG LYS A 228 13.642 -12.417 -1.130 1.00 22.69 C ATOM 1906 CD LYS A 228 12.430 -12.466 -2.082 1.00 33.34 C ATOM 1907 CE LYS A 228 12.728 -11.934 -3.502 1.00 40.76 C ATOM 1908 NZ LYS A 228 13.134 -12.940 -4.548 1.00 45.47 N ATOM 0 H LYS A 228 13.882 -10.573 1.460 1.00 17.34 H new ATOM 0 HA LYS A 228 15.877 -11.441 -0.109 1.00 18.56 H new ATOM 0 HB2 LYS A 228 13.321 -10.432 -0.722 1.00 19.88 H new ATOM 0 HB3 LYS A 228 14.372 -10.642 -1.855 1.00 19.88 H new ATOM 0 HG2 LYS A 228 14.367 -12.959 -1.479 1.00 22.69 H new ATOM 0 HG3 LYS A 228 13.405 -12.784 -0.264 1.00 22.69 H new ATOM 0 HD2 LYS A 228 12.119 -13.382 -2.148 1.00 33.34 H new ATOM 0 HD3 LYS A 228 11.706 -11.947 -1.697 1.00 33.34 H new ATOM 0 HE2 LYS A 228 11.937 -11.472 -3.821 1.00 40.76 H new ATOM 0 HE3 LYS A 228 13.434 -11.272 -3.432 1.00 40.76 H new ATOM 0 HZ1 LYS A 228 13.279 -12.523 -5.321 1.00 45.47 H new ATOM 0 HZ2 LYS A 228 13.879 -13.353 -4.290 1.00 45.47 H new ATOM 0 HZ3 LYS A 228 12.484 -13.539 -4.652 1.00 45.47 H new ATOM 1909 N LEU A 229 15.611 -8.443 0.696 1.00 16.60 N ATOM 1910 CA LEU A 229 16.312 -7.146 0.575 1.00 15.73 C ATOM 1911 C LEU A 229 17.796 -7.332 0.731 1.00 15.55 C ATOM 1912 O LEU A 229 18.272 -8.338 1.209 1.00 14.65 O ATOM 1913 CB LEU A 229 15.825 -6.219 1.707 1.00 14.17 C ATOM 1914 CG LEU A 229 14.399 -5.757 1.557 1.00 16.16 C ATOM 1915 CD1 LEU A 229 13.934 -5.052 2.828 1.00 15.01 C ATOM 1916 CD2 LEU A 229 14.355 -4.731 0.415 1.00 17.69 C ATOM 0 H LEU A 229 15.087 -8.527 1.373 1.00 16.60 H new ATOM 0 HA LEU A 229 16.125 -6.767 -0.298 1.00 15.73 H new ATOM 0 HB2 LEU A 229 15.916 -6.684 2.554 1.00 14.17 H new ATOM 0 HB3 LEU A 229 16.404 -5.442 1.746 1.00 14.17 H new ATOM 0 HG LEU A 229 13.829 -6.522 1.381 1.00 16.16 H new ATOM 0 HD11 LEU A 229 13.016 -4.760 2.719 1.00 15.01 H new ATOM 0 HD12 LEU A 229 13.991 -5.665 3.578 1.00 15.01 H new ATOM 0 HD13 LEU A 229 14.500 -4.282 2.997 1.00 15.01 H new ATOM 0 HD21 LEU A 229 13.445 -4.417 0.297 1.00 17.69 H new ATOM 0 HD22 LEU A 229 14.930 -3.981 0.631 1.00 17.69 H new ATOM 0 HD23 LEU A 229 14.662 -5.147 -0.406 1.00 17.69 H new ATOM 1917 N ASN A 230 18.584 -6.307 0.400 1.00 18.12 N ATOM 1918 CA ASN A 230 20.027 -6.384 0.471 1.00 17.10 C ATOM 1919 C ASN A 230 20.587 -5.203 1.360 1.00 18.37 C ATOM 1920 O ASN A 230 20.071 -4.040 1.233 1.00 17.97 O ATOM 1921 CB ASN A 230 20.674 -6.116 -0.925 1.00 20.98 C ATOM 1922 CG ASN A 230 20.504 -7.251 -1.923 1.00 23.21 C ATOM 1923 OD1 ASN A 230 21.015 -7.138 -3.048 1.00 22.50 O ATOM 1924 ND2 ASN A 230 19.849 -8.361 -1.526 1.00 20.91 N ATOM 0 H ASN A 230 18.287 -5.547 0.128 1.00 18.12 H new ATOM 0 HA ASN A 230 20.235 -7.266 0.816 1.00 17.10 H new ATOM 0 HB2 ASN A 230 20.287 -5.309 -1.300 1.00 20.98 H new ATOM 0 HB3 ASN A 230 21.621 -5.946 -0.803 1.00 20.98 H new ATOM 0 HD21 ASN A 230 19.772 -9.029 -2.062 1.00 20.91 H new ATOM 0 HD22 ASN A 230 19.508 -8.400 -0.737 1.00 20.91 H new ATOM 1925 N PHE A 231 21.637 -5.536 2.127 1.00 18.45 N ATOM 1926 CA PHE A 231 22.484 -4.507 2.864 1.00 18.85 C ATOM 1927 C PHE A 231 23.321 -3.712 1.860 1.00 23.35 C ATOM 1928 O PHE A 231 23.594 -2.513 2.074 1.00 23.15 O ATOM 1929 CB PHE A 231 23.442 -5.175 3.763 1.00 21.83 C ATOM 1930 CG PHE A 231 22.838 -5.696 5.061 1.00 21.48 C ATOM 1931 CD1 PHE A 231 22.005 -4.859 5.848 1.00 18.89 C ATOM 1932 CD2 PHE A 231 23.151 -6.977 5.500 1.00 22.48 C ATOM 1933 CE1 PHE A 231 21.493 -5.334 7.083 1.00 19.80 C ATOM 1934 CE2 PHE A 231 22.671 -7.473 6.705 1.00 18.62 C ATOM 1935 CZ PHE A 231 21.814 -6.646 7.481 1.00 17.96 C ATOM 0 H PHE A 231 21.894 -6.348 2.248 1.00 18.45 H new ATOM 0 HA PHE A 231 21.881 -3.934 3.363 1.00 18.85 H new ATOM 0 HB2 PHE A 231 23.849 -5.917 3.289 1.00 21.83 H new ATOM 0 HB3 PHE A 231 24.153 -4.552 3.979 1.00 21.83 H new ATOM 0 HD1 PHE A 231 21.795 -4.002 5.555 1.00 18.89 H new ATOM 0 HD2 PHE A 231 23.696 -7.516 4.973 1.00 22.48 H new ATOM 0 HE1 PHE A 231 20.958 -4.792 7.617 1.00 19.80 H new ATOM 0 HE2 PHE A 231 22.904 -8.325 6.997 1.00 18.62 H new ATOM 0 HZ PHE A 231 21.456 -6.980 8.272 1.00 17.96 H new ATOM 1936 N ASN A 232 23.767 -4.384 0.812 1.00 22.21 N ATOM 1937 CA ASN A 232 24.685 -3.730 -0.147 1.00 24.57 C ATOM 1938 C ASN A 232 23.976 -2.812 -1.115 1.00 22.99 C ATOM 1939 O ASN A 232 22.757 -2.890 -1.317 1.00 23.47 O ATOM 1940 CB ASN A 232 25.392 -4.810 -0.922 1.00 24.10 C ATOM 1941 CG ASN A 232 24.400 -5.732 -1.585 1.00 25.33 C ATOM 1942 OD1 ASN A 232 23.945 -6.683 -0.963 1.00 26.25 O ATOM 1943 ND2 ASN A 232 24.049 -5.451 -2.843 1.00 25.92 N ATOM 0 H ASN A 232 23.565 -5.199 0.628 1.00 22.21 H new ATOM 0 HA ASN A 232 25.303 -3.180 0.359 1.00 24.57 H new ATOM 0 HB2 ASN A 232 25.966 -4.409 -1.594 1.00 24.10 H new ATOM 0 HB3 ASN A 232 25.965 -5.319 -0.327 1.00 24.10 H new ATOM 0 HD21 ASN A 232 23.479 -5.949 -3.252 1.00 25.92 H new ATOM 0 HD22 ASN A 232 24.393 -4.772 -3.244 1.00 25.92 H new ATOM 1944 N GLY A 233 24.732 -1.900 -1.741 1.00 24.23 N ATOM 1945 CA GLY A 233 24.182 -1.111 -2.825 1.00 26.03 C ATOM 1946 C GLY A 233 24.261 -1.875 -4.143 1.00 27.50 C ATOM 1947 O GLY A 233 25.039 -2.850 -4.244 1.00 25.47 O ATOM 0 H GLY A 233 25.553 -1.732 -1.549 1.00 24.23 H new ATOM 0 HA2 GLY A 233 23.259 -0.886 -2.631 1.00 26.03 H new ATOM 0 HA3 GLY A 233 24.668 -0.275 -2.901 1.00 26.03 H new ATOM 1948 N GLU A 234 23.449 -1.401 -5.101 1.00 28.86 N ATOM 1949 CA GLU A 234 23.327 -1.903 -6.471 1.00 31.77 C ATOM 1950 C GLU A 234 24.703 -1.992 -7.075 1.00 32.99 C ATOM 1951 O GLU A 234 25.468 -1.040 -7.013 1.00 30.49 O ATOM 1952 CB GLU A 234 22.426 -1.005 -7.313 1.00 30.32 C ATOM 1953 CG GLU A 234 22.135 -1.569 -8.711 1.00 37.76 C ATOM 1954 CD GLU A 234 21.274 -0.664 -9.581 1.00 41.59 C ATOM 1955 OE1 GLU A 234 20.855 0.415 -9.106 1.00 48.27 O ATOM 1956 OE2 GLU A 234 21.043 -1.004 -10.769 1.00 44.51 O ATOM 0 H GLU A 234 22.924 -0.736 -4.954 1.00 28.86 H new ATOM 0 HA GLU A 234 22.917 -2.782 -6.453 1.00 31.77 H new ATOM 0 HB2 GLU A 234 21.587 -0.870 -6.845 1.00 30.32 H new ATOM 0 HB3 GLU A 234 22.843 -0.134 -7.404 1.00 30.32 H new ATOM 0 HG2 GLU A 234 22.977 -1.732 -9.165 1.00 37.76 H new ATOM 0 HG3 GLU A 234 21.693 -2.427 -8.617 1.00 37.76 H new ATOM 1957 N GLY A 235 25.038 -3.183 -7.558 1.00 33.13 N ATOM 1958 CA GLY A 235 26.340 -3.448 -8.139 1.00 36.30 C ATOM 1959 C GLY A 235 27.464 -3.830 -7.208 1.00 40.89 C ATOM 1960 O GLY A 235 28.616 -3.742 -7.631 1.00 40.22 O ATOM 0 H GLY A 235 24.510 -3.862 -7.556 1.00 33.13 H new ATOM 0 HA2 GLY A 235 26.236 -4.161 -8.789 1.00 36.30 H new ATOM 0 HA3 GLY A 235 26.614 -2.656 -8.628 1.00 36.30 H new ATOM 1961 N GLU A 236 27.169 -4.236 -5.948 1.00 36.40 N ATOM 1962 CA GLU A 236 28.190 -4.785 -5.022 1.00 35.07 C ATOM 1963 C GLU A 236 27.886 -6.263 -4.715 1.00 31.00 C ATOM 1964 O GLU A 236 26.783 -6.705 -5.049 1.00 35.79 O ATOM 1965 CB GLU A 236 28.208 -3.992 -3.714 1.00 43.26 C ATOM 1966 CG GLU A 236 28.849 -2.615 -3.812 1.00 48.32 C ATOM 1967 CD GLU A 236 28.451 -1.698 -2.661 1.00 58.15 C ATOM 1968 OE1 GLU A 236 27.773 -2.145 -1.693 1.00 57.32 O ATOM 1969 OE2 GLU A 236 28.833 -0.509 -2.726 1.00 59.81 O ATOM 0 H GLU A 236 26.378 -4.200 -5.612 1.00 36.40 H new ATOM 0 HA GLU A 236 29.058 -4.714 -5.449 1.00 35.07 H new ATOM 0 HB2 GLU A 236 27.296 -3.889 -3.400 1.00 43.26 H new ATOM 0 HB3 GLU A 236 28.682 -4.509 -3.044 1.00 43.26 H new ATOM 0 HG2 GLU A 236 29.814 -2.712 -3.825 1.00 48.32 H new ATOM 0 HG3 GLU A 236 28.594 -2.203 -4.652 1.00 48.32 H new ATOM 1970 N PRO A 237 28.844 -7.024 -4.115 1.00 31.68 N ATOM 1971 CA PRO A 237 28.505 -8.428 -3.810 1.00 28.76 C ATOM 1972 C PRO A 237 27.170 -8.483 -2.989 1.00 31.11 C ATOM 1973 O PRO A 237 26.954 -7.622 -2.115 1.00 29.65 O ATOM 1974 CB PRO A 237 29.697 -8.906 -2.980 1.00 29.81 C ATOM 1975 CG PRO A 237 30.852 -8.019 -3.377 1.00 32.28 C ATOM 1976 CD PRO A 237 30.206 -6.680 -3.651 1.00 34.11 C ATOM 0 HA PRO A 237 28.361 -8.979 -4.595 1.00 28.76 H new ATOM 0 HB2 PRO A 237 29.512 -8.833 -2.031 1.00 29.81 H new ATOM 0 HB3 PRO A 237 29.896 -9.838 -3.160 1.00 29.81 H new ATOM 0 HG2 PRO A 237 31.512 -7.957 -2.669 1.00 32.28 H new ATOM 0 HG3 PRO A 237 31.309 -8.360 -4.162 1.00 32.28 H new ATOM 0 HD2 PRO A 237 30.180 -6.129 -2.853 1.00 34.11 H new ATOM 0 HD3 PRO A 237 30.695 -6.182 -4.324 1.00 34.11 H new ATOM 1977 N GLU A 238 26.291 -9.438 -3.303 1.00 27.58 N ATOM 1978 CA GLU A 238 24.985 -9.465 -2.648 1.00 24.88 C ATOM 1979 C GLU A 238 25.130 -9.927 -1.174 1.00 22.15 C ATOM 1980 O GLU A 238 25.673 -10.955 -0.896 1.00 21.45 O ATOM 1981 CB GLU A 238 23.949 -10.335 -3.380 1.00 25.70 C ATOM 1982 CG GLU A 238 22.597 -10.252 -2.675 1.00 26.93 C ATOM 1983 CD GLU A 238 21.475 -11.032 -3.319 1.00 29.43 C ATOM 1984 OE1 GLU A 238 21.782 -12.120 -3.868 1.00 34.34 O ATOM 1985 OE2 GLU A 238 20.288 -10.569 -3.289 1.00 24.38 O ATOM 0 H GLU A 238 26.427 -10.063 -3.877 1.00 27.58 H new ATOM 0 HA GLU A 238 24.648 -8.556 -2.676 1.00 24.88 H new ATOM 0 HB2 GLU A 238 23.860 -10.039 -4.300 1.00 25.70 H new ATOM 0 HB3 GLU A 238 24.251 -11.256 -3.406 1.00 25.70 H new ATOM 0 HG2 GLU A 238 22.706 -10.566 -1.764 1.00 26.93 H new ATOM 0 HG3 GLU A 238 22.334 -9.320 -2.624 1.00 26.93 H new ATOM 1986 N GLU A 239 24.594 -9.131 -0.248 1.00 20.14 N ATOM 1987 CA GLU A 239 24.611 -9.412 1.174 1.00 23.18 C ATOM 1988 C GLU A 239 23.148 -9.329 1.621 1.00 18.86 C ATOM 1989 O GLU A 239 22.541 -8.237 1.602 1.00 18.98 O ATOM 1990 CB GLU A 239 25.328 -8.253 1.866 1.00 25.83 C ATOM 1991 CG GLU A 239 26.079 -8.596 3.108 1.00 41.08 C ATOM 1992 CD GLU A 239 27.549 -8.970 2.815 1.00 47.72 C ATOM 1993 OE1 GLU A 239 28.463 -8.109 2.929 1.00 53.63 O ATOM 1994 OE2 GLU A 239 27.780 -10.144 2.462 1.00 57.47 O ATOM 0 H GLU A 239 24.200 -8.392 -0.443 1.00 20.14 H new ATOM 0 HA GLU A 239 25.032 -10.263 1.374 1.00 23.18 H new ATOM 0 HB2 GLU A 239 25.948 -7.856 1.234 1.00 25.83 H new ATOM 0 HB3 GLU A 239 24.671 -7.574 2.084 1.00 25.83 H new ATOM 0 HG2 GLU A 239 26.054 -7.842 3.718 1.00 41.08 H new ATOM 0 HG3 GLU A 239 25.641 -9.337 3.555 1.00 41.08 H new ATOM 1995 N LEU A 240 22.494 -10.464 1.898 1.00 18.95 N ATOM 1996 CA LEU A 240 21.073 -10.323 2.221 1.00 15.63 C ATOM 1997 C LEU A 240 20.880 -9.492 3.538 1.00 14.46 C ATOM 1998 O LEU A 240 21.618 -9.730 4.522 1.00 16.27 O ATOM 1999 CB LEU A 240 20.463 -11.713 2.430 1.00 16.78 C ATOM 2000 CG LEU A 240 20.421 -12.575 1.144 1.00 17.15 C ATOM 2001 CD1 LEU A 240 19.742 -13.853 1.585 1.00 21.72 C ATOM 2002 CD2 LEU A 240 19.577 -11.870 0.118 1.00 17.37 C ATOM 0 H LEU A 240 22.821 -11.259 1.905 1.00 18.95 H new ATOM 0 HA LEU A 240 20.636 -9.863 1.487 1.00 15.63 H new ATOM 0 HB2 LEU A 240 20.974 -12.183 3.108 1.00 16.78 H new ATOM 0 HB3 LEU A 240 19.561 -11.613 2.772 1.00 16.78 H new ATOM 0 HG LEU A 240 21.294 -12.735 0.753 1.00 17.15 H new ATOM 0 HD11 LEU A 240 19.673 -14.460 0.831 1.00 21.72 H new ATOM 0 HD12 LEU A 240 20.263 -14.270 2.289 1.00 21.72 H new ATOM 0 HD13 LEU A 240 18.854 -13.650 1.918 1.00 21.72 H new ATOM 0 HD21 LEU A 240 19.543 -12.401 -0.693 1.00 17.37 H new ATOM 0 HD22 LEU A 240 18.679 -11.751 0.464 1.00 17.37 H new ATOM 0 HD23 LEU A 240 19.964 -11.003 -0.079 1.00 17.37 H new ATOM 2003 N MET A 241 19.802 -8.675 3.530 1.00 14.87 N ATOM 2004 CA MET A 241 19.380 -7.871 4.722 1.00 15.08 C ATOM 2005 C MET A 241 18.641 -8.853 5.654 1.00 14.93 C ATOM 2006 O MET A 241 17.436 -8.985 5.555 1.00 16.15 O ATOM 2007 CB MET A 241 18.424 -6.742 4.366 1.00 17.57 C ATOM 2008 CG MET A 241 18.238 -5.729 5.525 1.00 16.76 C ATOM 2009 SD MET A 241 17.334 -4.335 4.941 1.00 20.02 S ATOM 2010 CE MET A 241 18.645 -3.207 4.331 1.00 16.13 C ATOM 0 H MET A 241 19.296 -8.568 2.843 1.00 14.87 H new ATOM 0 HA MET A 241 20.162 -7.463 5.125 1.00 15.08 H new ATOM 0 HB2 MET A 241 18.757 -6.275 3.584 1.00 17.57 H new ATOM 0 HB3 MET A 241 17.562 -7.116 4.127 1.00 17.57 H new ATOM 0 HG2 MET A 241 17.766 -6.148 6.262 1.00 16.76 H new ATOM 0 HG3 MET A 241 19.102 -5.448 5.865 1.00 16.76 H new ATOM 0 HE1 MET A 241 18.637 -2.389 4.853 1.00 16.13 H new ATOM 0 HE2 MET A 241 19.510 -3.638 4.419 1.00 16.13 H new ATOM 0 HE3 MET A 241 18.483 -2.997 3.398 1.00 16.13 H new ATOM 2011 N VAL A 242 19.406 -9.495 6.539 1.00 15.45 N ATOM 2012 CA VAL A 242 18.832 -10.345 7.583 1.00 15.62 C ATOM 2013 C VAL A 242 19.644 -10.101 8.859 1.00 16.18 C ATOM 2014 O VAL A 242 20.836 -9.672 8.800 1.00 14.98 O ATOM 2015 CB VAL A 242 18.872 -11.849 7.206 1.00 15.49 C ATOM 2016 CG1 VAL A 242 17.981 -12.145 5.979 1.00 17.88 C ATOM 2017 CG2 VAL A 242 20.310 -12.335 7.102 1.00 15.05 C ATOM 0 H VAL A 242 20.265 -9.451 6.551 1.00 15.45 H new ATOM 0 HA VAL A 242 17.897 -10.118 7.705 1.00 15.62 H new ATOM 0 HB VAL A 242 18.478 -12.376 7.918 1.00 15.49 H new ATOM 0 HG11 VAL A 242 18.026 -13.090 5.767 1.00 17.88 H new ATOM 0 HG12 VAL A 242 17.063 -11.902 6.179 1.00 17.88 H new ATOM 0 HG13 VAL A 242 18.294 -11.629 5.220 1.00 17.88 H new ATOM 0 HG21 VAL A 242 20.318 -13.276 6.866 1.00 15.05 H new ATOM 0 HG22 VAL A 242 20.775 -11.827 6.419 1.00 15.05 H new ATOM 0 HG23 VAL A 242 20.756 -12.213 7.955 1.00 15.05 H new ATOM 2018 N ASP A 243 19.036 -10.390 10.005 1.00 12.70 N ATOM 2019 CA ASP A 243 19.703 -10.257 11.315 1.00 12.14 C ATOM 2020 C ASP A 243 20.189 -8.811 11.506 1.00 12.67 C ATOM 2021 O ASP A 243 21.290 -8.582 12.054 1.00 13.24 O ATOM 2022 CB ASP A 243 20.828 -11.327 11.595 1.00 12.79 C ATOM 2023 CG ASP A 243 20.263 -12.703 11.665 1.00 16.04 C ATOM 2024 OD1 ASP A 243 19.187 -12.848 12.290 1.00 13.82 O ATOM 2025 OD2 ASP A 243 20.868 -13.626 11.015 1.00 16.62 O ATOM 0 H ASP A 243 18.224 -10.670 10.053 1.00 12.70 H new ATOM 0 HA ASP A 243 19.037 -10.456 11.991 1.00 12.14 H new ATOM 0 HB2 ASP A 243 21.498 -11.286 10.895 1.00 12.79 H new ATOM 0 HB3 ASP A 243 21.276 -11.117 12.429 1.00 12.79 H new ATOM 2026 N ASN A 244 19.290 -7.888 11.198 1.00 12.31 N ATOM 2027 CA ASN A 244 19.577 -6.460 11.493 1.00 12.64 C ATOM 2028 C ASN A 244 19.042 -6.012 12.854 1.00 12.61 C ATOM 2029 O ASN A 244 18.332 -5.015 12.910 1.00 12.27 O ATOM 2030 CB ASN A 244 19.114 -5.593 10.327 1.00 14.88 C ATOM 2031 CG ASN A 244 17.575 -5.668 10.060 1.00 12.82 C ATOM 2032 OD1 ASN A 244 16.912 -6.519 10.670 1.00 15.82 O ATOM 2033 ND2 ASN A 244 16.999 -4.776 9.181 1.00 14.16 N ATOM 0 H ASN A 244 18.528 -8.043 10.830 1.00 12.31 H new ATOM 0 HA ASN A 244 20.537 -6.347 11.576 1.00 12.64 H new ATOM 0 HB2 ASN A 244 19.359 -4.671 10.503 1.00 14.88 H new ATOM 0 HB3 ASN A 244 19.587 -5.864 9.525 1.00 14.88 H new ATOM 0 HD21 ASN A 244 16.151 -4.798 9.040 1.00 14.16 H new ATOM 0 HD22 ASN A 244 17.488 -4.197 8.774 1.00 14.16 H new ATOM 2034 N TRP A 245 19.345 -6.761 13.892 1.00 11.92 N ATOM 2035 CA TRP A 245 18.901 -6.480 15.241 1.00 13.28 C ATOM 2036 C TRP A 245 20.061 -6.380 16.146 1.00 13.39 C ATOM 2037 O TRP A 245 21.084 -7.074 15.961 1.00 13.08 O ATOM 2038 CB TRP A 245 17.896 -7.529 15.733 1.00 12.84 C ATOM 2039 CG TRP A 245 18.328 -8.974 15.552 1.00 12.08 C ATOM 2040 CD1 TRP A 245 18.201 -9.753 14.434 1.00 12.14 C ATOM 2041 CD2 TRP A 245 18.868 -9.846 16.552 1.00 11.84 C ATOM 2042 NE1 TRP A 245 18.715 -11.030 14.672 1.00 12.67 N ATOM 2043 CE2 TRP A 245 19.132 -11.111 15.910 1.00 12.49 C ATOM 2044 CE3 TRP A 245 19.188 -9.696 17.903 1.00 13.37 C ATOM 2045 CZ2 TRP A 245 19.728 -12.188 16.602 1.00 12.78 C ATOM 2046 CZ3 TRP A 245 19.752 -10.776 18.586 1.00 13.32 C ATOM 2047 CH2 TRP A 245 20.004 -11.987 17.933 1.00 12.55 C ATOM 0 H TRP A 245 19.829 -7.469 13.832 1.00 11.92 H new ATOM 0 HA TRP A 245 18.440 -5.627 15.238 1.00 13.28 H new ATOM 0 HB2 TRP A 245 17.723 -7.374 16.675 1.00 12.84 H new ATOM 0 HB3 TRP A 245 17.057 -7.396 15.265 1.00 12.84 H new ATOM 0 HD1 TRP A 245 17.826 -9.472 13.631 1.00 12.14 H new ATOM 0 HE1 TRP A 245 18.752 -11.665 14.094 1.00 12.67 H new ATOM 0 HE3 TRP A 245 19.028 -8.891 18.340 1.00 13.37 H new ATOM 0 HZ2 TRP A 245 19.924 -12.992 16.178 1.00 12.78 H new ATOM 0 HZ3 TRP A 245 19.963 -10.689 19.488 1.00 13.32 H new ATOM 0 HH2 TRP A 245 20.375 -12.687 18.421 1.00 12.55 H new ATOM 2048 N ARG A 246 19.936 -5.501 17.141 1.00 11.82 N ATOM 2049 CA ARG A 246 20.871 -5.386 18.257 1.00 12.92 C ATOM 2050 C ARG A 246 20.400 -6.299 19.394 1.00 13.96 C ATOM 2051 O ARG A 246 19.224 -6.344 19.743 1.00 15.65 O ATOM 2052 CB ARG A 246 20.985 -3.958 18.764 1.00 13.89 C ATOM 2053 CG ARG A 246 22.054 -3.793 19.854 1.00 12.94 C ATOM 2054 CD ARG A 246 22.012 -2.396 20.485 1.00 13.64 C ATOM 2055 NE ARG A 246 23.289 -2.034 21.103 1.00 15.33 N ATOM 2056 CZ ARG A 246 23.479 -1.017 21.943 1.00 15.22 C ATOM 2057 NH1 ARG A 246 22.478 -0.214 22.286 1.00 15.38 N ATOM 2058 NH2 ARG A 246 24.689 -0.803 22.441 1.00 16.10 N ATOM 0 H ARG A 246 19.286 -4.940 17.185 1.00 11.82 H new ATOM 0 HA ARG A 246 21.749 -5.653 17.943 1.00 12.92 H new ATOM 0 HB2 ARG A 246 21.195 -3.372 18.020 1.00 13.89 H new ATOM 0 HB3 ARG A 246 20.126 -3.675 19.115 1.00 13.89 H new ATOM 0 HG2 ARG A 246 21.920 -4.463 20.542 1.00 12.94 H new ATOM 0 HG3 ARG A 246 22.932 -3.949 19.472 1.00 12.94 H new ATOM 0 HD2 ARG A 246 21.786 -1.742 19.805 1.00 13.64 H new ATOM 0 HD3 ARG A 246 21.310 -2.365 21.154 1.00 13.64 H new ATOM 0 HE ARG A 246 23.973 -2.518 20.908 1.00 15.33 H new ATOM 0 HH11 ARG A 246 21.691 -0.346 21.965 1.00 15.38 H new ATOM 0 HH12 ARG A 246 22.617 0.438 22.829 1.00 15.38 H new ATOM 0 HH21 ARG A 246 25.342 -1.318 22.221 1.00 16.10 H new ATOM 0 HH22 ARG A 246 24.821 -0.149 22.984 1.00 16.10 H new ATOM 2059 N PRO A 247 21.306 -7.094 19.983 1.00 15.94 N ATOM 2060 CA PRO A 247 20.862 -7.924 21.096 1.00 15.63 C ATOM 2061 C PRO A 247 20.577 -7.126 22.372 1.00 14.68 C ATOM 2062 O PRO A 247 20.991 -5.956 22.486 1.00 15.85 O ATOM 2063 CB PRO A 247 22.057 -8.853 21.356 1.00 17.95 C ATOM 2064 CG PRO A 247 23.211 -8.158 20.692 1.00 20.64 C ATOM 2065 CD PRO A 247 22.718 -7.295 19.618 1.00 17.28 C ATOM 0 HA PRO A 247 20.031 -8.374 20.875 1.00 15.63 H new ATOM 0 HB2 PRO A 247 22.214 -8.973 22.306 1.00 17.95 H new ATOM 0 HB3 PRO A 247 21.910 -9.735 20.980 1.00 17.95 H new ATOM 0 HG2 PRO A 247 23.700 -7.631 21.343 1.00 20.64 H new ATOM 0 HG3 PRO A 247 23.831 -8.812 20.334 1.00 20.64 H new ATOM 0 HD2 PRO A 247 23.203 -6.456 19.580 1.00 17.28 H new ATOM 0 HD3 PRO A 247 22.809 -7.715 18.748 1.00 17.28 H new ATOM 2066 N ALA A 248 19.893 -7.760 23.315 1.00 15.44 N ATOM 2067 CA ALA A 248 19.531 -7.138 24.615 1.00 13.58 C ATOM 2068 C ALA A 248 20.811 -6.597 25.320 1.00 16.32 C ATOM 2069 O ALA A 248 21.910 -7.205 25.362 1.00 14.88 O ATOM 2070 CB ALA A 248 18.740 -8.145 25.479 1.00 16.74 C ATOM 0 H ALA A 248 19.617 -8.570 23.231 1.00 15.44 H new ATOM 0 HA ALA A 248 18.948 -6.376 24.471 1.00 13.58 H new ATOM 0 HB1 ALA A 248 18.507 -7.733 26.326 1.00 16.74 H new ATOM 0 HB2 ALA A 248 17.930 -8.405 25.013 1.00 16.74 H new ATOM 0 HB3 ALA A 248 19.285 -8.930 25.642 1.00 16.74 H new ATOM 2071 N GLN A 249 20.661 -5.443 25.905 1.00 14.56 N ATOM 2072 CA GLN A 249 21.762 -4.744 26.589 1.00 15.72 C ATOM 2073 C GLN A 249 21.385 -4.743 28.054 1.00 17.46 C ATOM 2074 O GLN A 249 20.230 -4.904 28.424 1.00 15.38 O ATOM 2075 CB GLN A 249 21.807 -3.325 26.078 1.00 16.55 C ATOM 2076 CG GLN A 249 22.000 -3.226 24.569 1.00 14.66 C ATOM 2077 CD GLN A 249 23.335 -3.802 24.201 1.00 18.64 C ATOM 2078 OE1 GLN A 249 24.382 -3.406 24.769 1.00 20.50 O ATOM 2079 NE2 GLN A 249 23.319 -4.816 23.321 1.00 18.11 N ATOM 0 H GLN A 249 19.913 -5.019 25.928 1.00 14.56 H new ATOM 0 HA GLN A 249 22.626 -5.161 26.441 1.00 15.72 H new ATOM 0 HB2 GLN A 249 20.983 -2.875 26.321 1.00 16.55 H new ATOM 0 HB3 GLN A 249 22.529 -2.852 26.521 1.00 16.55 H new ATOM 0 HG2 GLN A 249 21.292 -3.704 24.110 1.00 14.66 H new ATOM 0 HG3 GLN A 249 21.947 -2.300 24.286 1.00 14.66 H new ATOM 0 HE21 GLN A 249 22.579 -5.056 22.954 1.00 18.11 H new ATOM 0 HE22 GLN A 249 24.049 -5.226 23.124 1.00 18.11 H new ATOM 2080 N PRO A 250 22.354 -4.488 28.936 1.00 18.67 N ATOM 2081 CA PRO A 250 22.188 -4.473 30.360 1.00 18.72 C ATOM 2082 C PRO A 250 21.123 -3.466 30.852 1.00 17.13 C ATOM 2083 O PRO A 250 21.149 -2.277 30.462 1.00 20.50 O ATOM 2084 CB PRO A 250 23.580 -4.001 30.826 1.00 21.52 C ATOM 2085 CG PRO A 250 24.487 -4.600 29.826 1.00 24.15 C ATOM 2086 CD PRO A 250 23.751 -4.220 28.557 1.00 20.50 C ATOM 0 HA PRO A 250 21.889 -5.332 30.698 1.00 18.72 H new ATOM 0 HB2 PRO A 250 23.646 -3.033 30.836 1.00 21.52 H new ATOM 0 HB3 PRO A 250 23.782 -4.309 31.723 1.00 21.52 H new ATOM 0 HG2 PRO A 250 25.381 -4.227 29.864 1.00 24.15 H new ATOM 0 HG3 PRO A 250 24.576 -5.560 29.932 1.00 24.15 H new ATOM 0 HD2 PRO A 250 23.892 -3.291 28.317 1.00 20.50 H new ATOM 0 HD3 PRO A 250 24.032 -4.755 27.798 1.00 20.50 H new ATOM 2087 N LEU A 251 20.229 -3.963 31.689 1.00 17.41 N ATOM 2088 CA LEU A 251 19.173 -3.086 32.233 1.00 17.40 C ATOM 2089 C LEU A 251 19.770 -2.024 33.133 1.00 19.05 C ATOM 2090 O LEU A 251 19.270 -0.889 33.209 1.00 17.36 O ATOM 2091 CB LEU A 251 18.084 -3.882 32.950 1.00 19.00 C ATOM 2092 CG LEU A 251 16.776 -3.219 33.364 1.00 17.99 C ATOM 2093 CD1 LEU A 251 16.031 -2.557 32.204 1.00 18.28 C ATOM 2094 CD2 LEU A 251 15.934 -4.242 34.142 1.00 20.32 C ATOM 0 H LEU A 251 20.204 -4.780 31.956 1.00 17.41 H new ATOM 0 HA LEU A 251 18.746 -2.640 31.485 1.00 17.40 H new ATOM 0 HB2 LEU A 251 17.855 -4.631 32.378 1.00 19.00 H new ATOM 0 HB3 LEU A 251 18.483 -4.251 33.753 1.00 19.00 H new ATOM 0 HG LEU A 251 16.974 -2.472 33.950 1.00 17.99 H new ATOM 0 HD11 LEU A 251 15.211 -2.156 32.533 1.00 18.28 H new ATOM 0 HD12 LEU A 251 16.591 -1.870 31.809 1.00 18.28 H new ATOM 0 HD13 LEU A 251 15.817 -3.224 31.533 1.00 18.28 H new ATOM 0 HD21 LEU A 251 15.097 -3.833 34.413 1.00 20.32 H new ATOM 0 HD22 LEU A 251 15.751 -5.008 33.576 1.00 20.32 H new ATOM 0 HD23 LEU A 251 16.422 -4.531 34.929 1.00 20.32 H new ATOM 2095 N LYS A 252 20.833 -2.369 33.864 1.00 21.08 N ATOM 2096 CA LYS A 252 21.468 -1.341 34.760 1.00 23.19 C ATOM 2097 C LYS A 252 20.448 -0.858 35.795 1.00 24.70 C ATOM 2098 O LYS A 252 19.638 -1.646 36.293 1.00 28.92 O ATOM 2099 CB LYS A 252 22.253 -0.256 33.969 1.00 22.63 C ATOM 2100 CG LYS A 252 23.401 -0.918 33.188 1.00 24.58 C ATOM 2101 CD LYS A 252 24.555 -0.035 32.860 1.00 30.13 C ATOM 2102 CE LYS A 252 25.475 -0.722 31.876 1.00 30.16 C ATOM 2103 NZ LYS A 252 26.194 0.286 31.044 1.00 30.21 N ATOM 0 H LYS A 252 21.200 -3.147 33.871 1.00 21.08 H new ATOM 0 HA LYS A 252 22.180 -1.743 35.282 1.00 23.19 H new ATOM 0 HB2 LYS A 252 21.658 0.206 33.358 1.00 22.63 H new ATOM 0 HB3 LYS A 252 22.606 0.410 34.579 1.00 22.63 H new ATOM 0 HG2 LYS A 252 23.728 -1.672 33.704 1.00 24.58 H new ATOM 0 HG3 LYS A 252 23.043 -1.275 32.360 1.00 24.58 H new ATOM 0 HD2 LYS A 252 24.235 0.800 32.485 1.00 30.13 H new ATOM 0 HD3 LYS A 252 25.042 0.185 33.669 1.00 30.13 H new ATOM 0 HE2 LYS A 252 26.116 -1.272 32.353 1.00 30.16 H new ATOM 0 HE3 LYS A 252 24.962 -1.315 31.305 1.00 30.16 H new ATOM 0 HZ1 LYS A 252 26.445 -0.087 30.276 1.00 30.21 H new ATOM 0 HZ2 LYS A 252 25.654 0.973 30.877 1.00 30.21 H new ATOM 0 HZ3 LYS A 252 26.913 0.574 31.482 1.00 30.21 H new ATOM 2104 N AASN A 253 20.401 0.396 36.206 0.50 25.81 N ATOM 2105 N BASN A 253 20.533 0.445 36.021 0.50 25.56 N ATOM 2106 CA AASN A 253 19.517 0.696 37.389 0.50 27.21 C ATOM 2107 CA BASN A 253 19.734 1.140 36.989 0.50 29.10 C ATOM 2108 C AASN A 253 17.956 0.611 37.097 0.50 24.95 C ATOM 2109 C BASN A 253 18.372 1.493 36.370 0.50 26.10 C ATOM 2110 O AASN A 253 17.090 0.582 37.992 0.50 23.94 O ATOM 2111 O BASN A 253 18.044 2.703 36.364 0.50 25.29 O ATOM 2112 CB AASN A 253 19.967 2.048 38.010 0.50 30.72 C ATOM 2113 CB BASN A 253 20.453 2.455 37.403 0.50 31.43 C ATOM 2114 CG AASN A 253 19.294 2.368 39.322 0.50 32.57 C ATOM 2115 CG BASN A 253 21.656 2.236 38.329 0.50 35.79 C ATOM 2116 OD1AASN A 253 19.636 1.825 40.377 0.50 36.20 O ATOM 2117 OD1BASN A 253 22.046 1.106 38.644 0.50 40.90 O ATOM 2118 ND2AASN A 253 18.353 3.295 39.275 0.50 34.64 N ATOM 2119 ND2BASN A 253 22.236 3.338 38.785 0.50 35.26 N ATOM 0 H AASN A 253 20.826 1.061 35.864 0.50 25.56 H new ATOM 0 H BASN A 253 21.078 0.957 35.597 0.50 25.56 H new ATOM 0 HA AASN A 253 19.638 -0.012 38.041 0.50 29.10 H new ATOM 0 HA BASN A 253 19.606 0.574 37.766 0.50 29.10 H new ATOM 0 HB2AASN A 253 20.927 2.029 38.145 0.50 31.43 H new ATOM 0 HB2BASN A 253 20.750 2.917 36.604 0.50 31.43 H new ATOM 0 HB3AASN A 253 19.783 2.761 37.379 0.50 31.43 H new ATOM 0 HB3BASN A 253 19.816 3.037 37.846 0.50 31.43 H new ATOM 0 HD21AASN A 253 17.955 3.540 39.997 0.50 35.26 H new ATOM 0 HD21BASN A 253 22.908 3.281 39.319 0.50 35.26 H new ATOM 0 HD22AASN A 253 18.139 3.653 38.523 0.50 35.26 H new ATOM 0 HD22BASN A 253 21.940 4.110 38.547 0.50 35.26 H new ATOM 2120 N ARG A 254 17.625 0.493 35.812 1.00 22.19 N ATOM 2121 CA ARG A 254 16.255 0.773 35.306 1.00 19.36 C ATOM 2122 C ARG A 254 15.117 -0.168 35.722 1.00 20.37 C ATOM 2123 O ARG A 254 15.313 -1.375 35.918 1.00 24.31 O ATOM 2124 CB ARG A 254 16.272 0.956 33.755 1.00 15.79 C ATOM 2125 CG ARG A 254 17.240 2.080 33.275 1.00 14.58 C ATOM 2126 CD ARG A 254 17.295 2.058 31.746 1.00 14.59 C ATOM 2127 NE ARG A 254 18.119 0.891 31.300 1.00 12.89 N ATOM 2128 CZ ARG A 254 18.336 0.583 30.021 1.00 11.86 C ATOM 2129 NH1 ARG A 254 17.748 1.298 29.062 1.00 11.82 N ATOM 2130 NH2 ARG A 254 19.160 -0.408 29.668 1.00 12.38 N ATOM 0 H AARG A 254 18.179 0.250 35.201 0.50 22.19 H new ATOM 0 H BARG A 254 17.887 -0.321 35.723 0.50 22.19 H new ATOM 0 HA ARG A 254 16.026 1.596 35.765 1.00 19.36 H new ATOM 0 HB2 ARG A 254 16.529 0.118 33.340 1.00 15.79 H new ATOM 0 HB3 ARG A 254 15.374 1.160 33.450 1.00 15.79 H new ATOM 0 HG2 ARG A 254 16.933 2.945 33.588 1.00 14.58 H new ATOM 0 HG3 ARG A 254 18.126 1.942 33.646 1.00 14.58 H new ATOM 0 HD2 ARG A 254 16.399 1.994 31.380 1.00 14.59 H new ATOM 0 HD3 ARG A 254 17.679 2.885 31.413 1.00 14.59 H new ATOM 0 HE ARG A 254 18.473 0.390 31.903 1.00 12.89 H new ATOM 0 HH11 ARG A 254 17.232 1.954 29.270 1.00 11.82 H new ATOM 0 HH12 ARG A 254 17.885 1.103 28.236 1.00 11.82 H new ATOM 0 HH21 ARG A 254 19.566 -0.866 30.272 1.00 12.38 H new ATOM 0 HH22 ARG A 254 19.284 -0.588 28.836 1.00 12.38 H new ATOM 2131 N GLN A 255 13.910 0.385 35.793 1.00 20.22 N ATOM 2132 CA GLN A 255 12.701 -0.376 35.993 1.00 21.26 C ATOM 2133 C GLN A 255 11.878 -0.334 34.733 1.00 20.15 C ATOM 2134 O GLN A 255 11.709 0.735 34.101 1.00 22.44 O ATOM 2135 CB GLN A 255 11.850 0.244 37.119 1.00 27.82 C ATOM 2136 CG GLN A 255 11.110 -0.828 37.928 1.00 38.81 C ATOM 2137 CD GLN A 255 11.852 -1.178 39.228 1.00 51.42 C ATOM 2138 OE1 GLN A 255 12.512 -2.364 39.267 1.00 60.21 O flip ATOM 2139 NE2 GLN A 255 11.837 -0.385 40.192 1.00 51.19 N flip ATOM 0 H GLN A 255 13.777 1.232 35.724 1.00 20.22 H new ATOM 0 HA GLN A 255 12.948 -1.285 36.226 1.00 21.26 H new ATOM 0 HB2 GLN A 255 12.421 0.759 37.710 1.00 27.82 H new ATOM 0 HB3 GLN A 255 11.207 0.862 36.736 1.00 27.82 H new ATOM 0 HG2 GLN A 255 10.217 -0.514 38.140 1.00 38.81 H new ATOM 0 HG3 GLN A 255 11.009 -1.628 37.388 1.00 38.81 H new ATOM 0 HE21 GLN A 255 11.408 0.358 40.131 1.00 51.19 H new ATOM 0 HE22 GLN A 255 12.256 -0.582 40.917 1.00 51.19 H new ATOM 2140 N ILE A 256 11.395 -1.504 34.355 1.00 17.64 N ATOM 2141 CA ILE A 256 10.394 -1.610 33.356 1.00 17.93 C ATOM 2142 C ILE A 256 9.016 -1.627 34.032 1.00 16.82 C ATOM 2143 O ILE A 256 8.766 -2.357 35.002 1.00 16.72 O ATOM 2144 CB ILE A 256 10.605 -2.875 32.465 1.00 16.83 C ATOM 2145 CG1 ILE A 256 12.018 -2.854 31.922 1.00 17.23 C ATOM 2146 CG2 ILE A 256 9.536 -2.982 31.392 1.00 16.93 C ATOM 2147 CD1 ILE A 256 12.331 -4.125 31.119 1.00 18.62 C ATOM 0 H ILE A 256 11.651 -2.257 34.683 1.00 17.64 H new ATOM 0 HA ILE A 256 10.452 -0.843 32.766 1.00 17.93 H new ATOM 0 HB ILE A 256 10.504 -3.681 32.995 1.00 16.83 H new ATOM 0 HG12 ILE A 256 12.137 -2.075 31.356 1.00 17.23 H new ATOM 0 HG13 ILE A 256 12.647 -2.770 32.656 1.00 17.23 H new ATOM 0 HG21 ILE A 256 9.693 -3.775 30.856 1.00 16.93 H new ATOM 0 HG22 ILE A 256 8.663 -3.042 31.810 1.00 16.93 H new ATOM 0 HG23 ILE A 256 9.568 -2.197 30.823 1.00 16.93 H new ATOM 0 HD11 ILE A 256 13.241 -4.081 30.785 1.00 18.62 H new ATOM 0 HD12 ILE A 256 12.234 -4.902 31.692 1.00 18.62 H new ATOM 0 HD13 ILE A 256 11.716 -4.196 30.372 1.00 18.62 H new ATOM 2148 N LYS A 257 8.151 -0.711 33.577 1.00 17.38 N ATOM 2149 CA LYS A 257 6.759 -0.618 34.047 1.00 16.90 C ATOM 2150 C LYS A 257 5.779 -1.284 33.118 1.00 17.77 C ATOM 2151 O LYS A 257 5.954 -1.247 31.913 1.00 16.72 O ATOM 2152 CB LYS A 257 6.353 0.893 34.234 1.00 17.92 C ATOM 2153 CG LYS A 257 7.174 1.753 35.213 1.00 27.03 C ATOM 2154 CD LYS A 257 7.244 1.159 36.602 1.00 34.75 C ATOM 2155 CE LYS A 257 7.413 2.250 37.684 1.00 42.72 C ATOM 2156 NZ LYS A 257 6.446 3.390 37.551 1.00 46.24 N ATOM 0 H LYS A 257 8.356 -0.123 32.984 1.00 17.38 H new ATOM 0 HA LYS A 257 6.721 -1.088 34.895 1.00 16.90 H new ATOM 0 HB2 LYS A 257 6.389 1.319 33.363 1.00 17.92 H new ATOM 0 HB3 LYS A 257 5.427 0.917 34.523 1.00 17.92 H new ATOM 0 HG2 LYS A 257 8.074 1.860 34.866 1.00 27.03 H new ATOM 0 HG3 LYS A 257 6.783 2.639 35.264 1.00 27.03 H new ATOM 0 HD2 LYS A 257 6.436 0.651 36.778 1.00 34.75 H new ATOM 0 HD3 LYS A 257 7.987 0.537 36.651 1.00 34.75 H new ATOM 0 HE2 LYS A 257 7.305 1.845 38.559 1.00 42.72 H new ATOM 0 HE3 LYS A 257 8.318 2.598 37.642 1.00 42.72 H new ATOM 0 HZ1 LYS A 257 6.365 3.803 38.335 1.00 46.24 H new ATOM 0 HZ2 LYS A 257 6.747 3.965 36.942 1.00 46.24 H new ATOM 0 HZ3 LYS A 257 5.652 3.078 37.297 1.00 46.24 H new ATOM 2157 N ALA A 258 4.741 -1.915 33.644 1.00 17.31 N ATOM 2158 CA ALA A 258 3.679 -2.505 32.863 1.00 17.61 C ATOM 2159 C ALA A 258 2.343 -1.771 33.022 1.00 17.24 C ATOM 2160 O ALA A 258 1.963 -1.338 34.129 1.00 17.27 O ATOM 2161 CB ALA A 258 3.506 -3.983 33.218 1.00 20.04 C ATOM 0 H ALA A 258 4.636 -2.013 34.492 1.00 17.31 H new ATOM 0 HA ALA A 258 3.944 -2.422 31.934 1.00 17.61 H new ATOM 0 HB1 ALA A 258 2.790 -4.362 32.685 1.00 20.04 H new ATOM 0 HB2 ALA A 258 4.331 -4.459 33.035 1.00 20.04 H new ATOM 0 HB3 ALA A 258 3.287 -4.066 34.159 1.00 20.04 H new ATOM 2162 N SER A 259 1.598 -1.668 31.936 1.00 14.37 N ATOM 2163 CA SER A 259 0.344 -0.908 31.977 1.00 18.94 C ATOM 2164 C SER A 259 -0.779 -1.815 32.414 1.00 19.50 C ATOM 2165 O SER A 259 -1.931 -1.368 32.426 1.00 26.46 O ATOM 2166 CB SER A 259 -0.016 -0.391 30.596 1.00 17.69 C ATOM 2167 OG SER A 259 -0.427 -1.426 29.688 1.00 18.65 O ATOM 0 H SER A 259 1.788 -2.020 31.175 1.00 14.37 H new ATOM 0 HA SER A 259 0.465 -0.168 32.593 1.00 18.94 H new ATOM 0 HB2 SER A 259 -0.730 0.260 30.678 1.00 17.69 H new ATOM 0 HB3 SER A 259 0.749 0.073 30.222 1.00 17.69 H new ATOM 0 HG SER A 259 -1.183 -1.239 29.374 1.00 18.65 H new ATOM 2168 N PHE A 260 -0.489 -3.070 32.669 1.00 19.78 N ATOM 2169 CA PHE A 260 -1.481 -4.121 32.792 1.00 22.51 C ATOM 2170 C PHE A 260 -1.072 -5.061 33.908 1.00 27.19 C ATOM 2171 O PHE A 260 0.144 -5.270 34.199 1.00 24.00 O ATOM 2172 CB PHE A 260 -1.671 -4.953 31.529 1.00 23.22 C ATOM 2173 CG PHE A 260 -0.391 -5.638 31.054 1.00 22.97 C ATOM 2174 CD1 PHE A 260 0.524 -4.918 30.315 1.00 23.38 C ATOM 2175 CD2 PHE A 260 -0.106 -6.959 31.405 1.00 25.59 C ATOM 2176 CE1 PHE A 260 1.720 -5.512 29.931 1.00 23.53 C ATOM 2177 CE2 PHE A 260 1.076 -7.564 31.010 1.00 25.95 C ATOM 2178 CZ PHE A 260 1.984 -6.825 30.267 1.00 26.66 C ATOM 0 H PHE A 260 0.317 -3.348 32.780 1.00 19.78 H new ATOM 0 HA PHE A 260 -2.322 -3.673 32.972 1.00 22.51 H new ATOM 0 HB2 PHE A 260 -2.349 -5.627 31.693 1.00 23.22 H new ATOM 0 HB3 PHE A 260 -2.006 -4.381 30.821 1.00 23.22 H new ATOM 0 HD1 PHE A 260 0.341 -4.038 30.075 1.00 23.38 H new ATOM 0 HD2 PHE A 260 -0.719 -7.440 31.912 1.00 25.59 H new ATOM 0 HE1 PHE A 260 2.345 -5.023 29.446 1.00 23.53 H new ATOM 0 HE2 PHE A 260 1.257 -8.447 31.238 1.00 25.95 H new ATOM 0 HZ PHE A 260 2.780 -7.218 29.992 1.00 26.66 H new ATOM 2179 N LYS A 261 -2.163 -5.587 34.506 1.00 38.94 N ATOM 2180 CA LYS A 261 -2.286 -6.809 35.313 1.00 49.99 C ATOM 2181 C LYS A 261 -1.497 -6.842 36.609 1.00 57.60 C ATOM 2182 O LYS A 261 -0.286 -7.038 36.603 1.00 68.37 O ATOM 2183 CB LYS A 261 -2.111 -8.080 34.453 1.00 50.38 C ATOM 2184 CG LYS A 261 -3.184 -8.195 33.358 1.00 53.86 C ATOM 2185 CD LYS A 261 -3.241 -9.596 32.777 1.00 53.96 C ATOM 2186 CE LYS A 261 -2.242 -9.788 31.657 1.00 50.79 C ATOM 2187 NZ LYS A 261 -1.316 -10.921 31.965 1.00 49.13 N ATOM 2188 OXT LYS A 261 -2.084 -6.629 37.683 1.00 60.11 O ATOM 0 H LYS A 261 -2.923 -5.190 34.437 1.00 38.94 H new ATOM 0 HA LYS A 261 -3.201 -6.792 35.635 1.00 49.99 H new ATOM 0 HB2 LYS A 261 -1.232 -8.072 34.042 1.00 50.38 H new ATOM 0 HB3 LYS A 261 -2.150 -8.863 35.025 1.00 50.38 H new ATOM 0 HG2 LYS A 261 -4.050 -7.961 33.727 1.00 53.86 H new ATOM 0 HG3 LYS A 261 -2.996 -7.558 32.651 1.00 53.86 H new ATOM 0 HD2 LYS A 261 -3.067 -10.243 33.478 1.00 53.96 H new ATOM 0 HD3 LYS A 261 -4.135 -9.771 32.445 1.00 53.96 H new ATOM 0 HE2 LYS A 261 -2.710 -9.963 30.826 1.00 50.79 H new ATOM 0 HE3 LYS A 261 -1.732 -8.973 31.529 1.00 50.79 H new ATOM 0 HZ1 LYS A 261 -0.736 -11.020 31.297 1.00 49.13 H new ATOM 0 HZ2 LYS A 261 -0.874 -10.747 32.718 1.00 49.13 H new ATOM 0 HZ3 LYS A 261 -1.786 -11.670 32.063 1.00 49.13 H new TER 2189 LYS A 261 HETATM 2190 ZN ZN A 301 14.348 0.098 15.239 1.00 11.38 ZN HETATM 2191 S DMS A 302 22.337 -9.889 14.932 1.00 27.53 S HETATM 2192 O DMS A 302 23.023 -11.214 14.601 1.00 27.07 O HETATM 2193 C1 DMS A 302 22.625 -9.816 16.598 1.00 23.45 C HETATM 2194 C2 DMS A 302 23.437 -8.633 14.527 1.00 27.37 C HETATM 0 H23 DMS A 302 23.530 -8.029 15.280 1.00 27.37 H new HETATM 0 H22 DMS A 302 24.302 -9.017 14.312 1.00 27.37 H new HETATM 0 H21 DMS A 302 23.101 -8.144 13.760 1.00 27.37 H new HETATM 0 H13 DMS A 302 21.974 -9.229 17.014 1.00 23.45 H new HETATM 0 H12 DMS A 302 22.548 -10.705 16.979 1.00 23.45 H new HETATM 0 H11 DMS A 302 23.518 -9.473 16.757 1.00 23.45 H new HETATM 2195 S DMS A 303 16.689 1.906 10.979 1.00 55.43 S HETATM 2196 O DMS A 303 18.056 1.961 10.355 1.00 37.54 O HETATM 2197 C1 DMS A 303 16.865 1.521 12.655 1.00 39.70 C HETATM 2198 C2 DMS A 303 15.915 3.445 11.151 1.00 40.08 C HETATM 0 H23 DMS A 303 15.037 3.324 11.544 1.00 40.08 H new HETATM 0 H22 DMS A 303 16.450 4.014 11.726 1.00 40.08 H new HETATM 0 H21 DMS A 303 15.824 3.861 10.279 1.00 40.08 H new HETATM 0 H13 DMS A 303 16.084 1.827 13.141 1.00 39.70 H new HETATM 0 H12 DMS A 303 16.954 0.561 12.759 1.00 39.70 H new HETATM 0 H11 DMS A 303 17.656 1.959 13.006 1.00 39.70 H new HETATM 2199 O12 WWL A 304 14.880 7.857 13.656 1.00 27.44 O HETATM 2200 S10 WWL A 304 16.246 7.288 13.561 1.00 24.63 S HETATM 2201 O11 WWL A 304 16.427 6.887 12.085 1.00 24.61 O HETATM 2202 C7 WWL A 304 16.301 5.772 14.449 1.00 17.34 C HETATM 2203 S8 WWL A 304 15.042 5.220 15.280 1.00 17.13 S HETATM 2204 C5 WWL A 304 17.273 3.910 15.324 1.00 15.35 C HETATM 2205 C6 WWL A 304 17.476 5.079 14.533 1.00 17.14 C HETATM 2206 C9 WWL A 304 15.911 3.894 15.734 1.00 12.72 C HETATM 2207 S2 WWL A 304 15.161 2.690 16.733 1.00 12.68 S HETATM 2208 O3 WWL A 304 13.678 2.838 16.638 1.00 12.75 O HETATM 2209 N4 WWL A 304 15.727 1.239 16.102 1.00 11.54 N HETATM 2210 O1 WWL A 304 15.667 2.768 18.132 1.00 10.78 O HETATM 2211 C13 WWL A 304 17.592 8.400 13.980 1.00 25.29 C HETATM 2212 C18 WWL A 304 18.703 8.420 13.124 1.00 30.66 C HETATM 2213 C17 WWL A 304 19.801 9.256 13.411 1.00 30.78 C HETATM 2214 C16 WWL A 304 19.762 10.065 14.561 1.00 29.33 C HETATM 2215 C15 WWL A 304 18.659 10.029 15.422 1.00 31.71 C HETATM 2216 C14 WWL A 304 17.542 9.171 15.141 1.00 31.67 C HETATM 2217 O HOH A 401 19.733 -2.305 15.711 1.00 15.40 O HETATM 2218 O HOH A 402 -0.596 7.526 4.642 1.00 19.28 O HETATM 2219 O HOH A 403 3.986 -6.507 20.412 1.00 13.45 O HETATM 2220 O HOH A 404 16.329 -11.631 18.027 1.00 13.53 O HETATM 2221 O HOH A 405 2.966 -18.548 7.867 1.00 17.69 O HETATM 2222 O HOH A 406 22.247 0.274 29.443 1.00 19.47 O HETATM 2223 O HOH A 407 18.590 -6.924 29.053 1.00 16.12 O HETATM 2224 O HOH A 408 12.959 -13.570 11.286 1.00 15.08 O HETATM 2225 O HOH A 409 -0.569 -5.240 23.633 1.00 17.10 O HETATM 2226 O HOH A 410 10.540 10.535 25.500 1.00 13.73 O HETATM 2227 O HOH A 411 17.084 -14.096 24.381 1.00 17.27 O HETATM 2228 O HOH A 412 24.651 6.884 29.680 1.00 23.66 O HETATM 2229 O HOH A 413 17.417 -9.340 20.931 1.00 15.99 O HETATM 2230 O HOH A 414 -3.134 10.363 20.104 1.00 22.06 O HETATM 2231 O HOH A 415 7.174 16.075 27.205 1.00 24.92 O HETATM 2232 O HOH A 416 17.325 -11.175 -2.874 1.00 28.43 O HETATM 2233 O HOH A 417 4.542 -8.010 32.877 1.00 24.69 O HETATM 2234 O HOH A 418 18.868 -10.565 22.744 1.00 15.21 O HETATM 2235 O HOH A 419 12.356 -2.081 7.842 1.00 16.46 O HETATM 2236 O HOH A 420 -1.773 -3.934 2.664 1.00 23.97 O HETATM 2237 O HOH A 421 3.028 12.549 11.333 1.00 17.52 O HETATM 2238 O HOH A 422 -3.067 1.153 26.504 1.00 21.41 O HETATM 2239 O HOH A 423 12.767 -17.537 21.664 1.00 20.93 O HETATM 2240 O HOH A 424 7.145 12.364 27.847 1.00 21.24 O HETATM 2241 O HOH A 425 9.110 4.873 30.637 1.00 24.88 O HETATM 2242 O HOH A 426 -0.148 -10.840 -1.759 1.00 21.19 O HETATM 2243 O HOH A 427 11.677 -8.268 -1.422 1.00 23.22 O HETATM 2244 O HOH A 428 6.760 21.902 15.340 1.00 21.84 O HETATM 2245 O HOH A 429 32.254 3.330 26.002 1.00 27.53 O HETATM 2246 O HOH A 430 1.814 11.979 8.845 1.00 17.04 O HETATM 2247 O HOH A 431 12.819 -20.234 10.061 1.00 22.39 O HETATM 2248 O HOH A 432 -1.184 -16.429 13.550 1.00 25.62 O HETATM 2249 O HOH A 433 29.231 -3.936 -10.524 1.00 29.93 O HETATM 2250 O HOH A 434 25.559 -4.788 7.887 1.00 24.73 O HETATM 2251 O HOH A 435 10.568 -16.327 17.006 1.00 19.70 O HETATM 2252 O HOH A 436 4.789 -10.490 24.348 1.00 22.93 O HETATM 2253 O HOH A 437 17.540 -11.408 25.214 1.00 15.37 O HETATM 2254 O HOH A 438 5.689 22.013 17.802 1.00 22.08 O HETATM 2255 O HOH A 439 29.661 -1.892 21.120 1.00 22.70 O HETATM 2256 O HOH A 440 9.729 -17.550 6.835 1.00 29.81 O HETATM 2257 O HOH A 441 -5.002 -4.222 13.078 1.00 32.81 O HETATM 2258 O HOH A 442 31.537 -7.423 9.225 1.00 42.35 O HETATM 2259 O HOH A 443 5.398 -19.981 13.144 1.00 20.12 O HETATM 2260 O HOH A 444 7.987 -15.064 26.616 1.00 20.77 O HETATM 2261 O HOH A 445 25.343 -1.527 26.358 1.00 26.65 O HETATM 2262 O HOH A 446 -3.950 -5.793 8.999 1.00 19.45 O HETATM 2263 O HOH A 447 14.807 -2.808 -6.479 1.00 23.40 O HETATM 2264 O HOH A 448 -2.179 -0.958 6.507 1.00 24.32 O HETATM 2265 O HOH A 449 28.578 8.039 21.751 1.00 22.94 O HETATM 2266 O HOH A 450 36.243 -0.441 14.366 1.00 23.49 O HETATM 2267 O HOH A 451 23.823 -2.518 7.937 1.00 21.73 O HETATM 2268 O HOH A 452 3.199 21.782 17.546 1.00 28.92 O HETATM 2269 O HOH A 453 0.588 12.589 26.770 1.00 19.12 O HETATM 2270 O HOH A 454 11.373 -6.102 33.929 1.00 27.74 O HETATM 2271 O HOH A 455 8.090 -17.614 26.359 1.00 25.90 O HETATM 2272 O HOH A 456 5.855 -17.887 23.294 1.00 34.68 O HETATM 2273 O HOH A 457 19.959 -9.314 28.898 1.00 28.69 O HETATM 2274 O HOH A 458 5.694 10.870 -2.189 1.00 26.21 O HETATM 2275 O HOH A 459 29.660 -2.791 23.507 1.00 34.84 O HETATM 2276 O HOH A 460 7.976 -15.345 16.889 1.00 16.40 O HETATM 2277 O HOH A 461 -2.024 -9.870 13.932 1.00 25.30 O HETATM 2278 O HOH A 462 34.336 2.243 24.468 1.00 23.89 O HETATM 2279 O HOH A 463 26.389 9.042 20.240 1.00 24.18 O HETATM 2280 O HOH A 464 16.380 4.264 37.053 1.00 30.97 O HETATM 2281 O HOH A 465 3.054 5.945 -3.778 1.00 34.87 O HETATM 2282 O HOH A 466 -0.330 -17.875 6.691 1.00 30.88 O HETATM 2283 O HOH A 467 19.816 11.300 27.976 1.00 41.88 O HETATM 2284 O HOH A 468 10.492 15.526 8.507 1.00 31.28 O HETATM 2285 O HOH A 469 21.573 0.592 -4.634 1.00 29.40 O HETATM 2286 O HOH A 470 7.867 -20.513 12.119 1.00 25.70 O HETATM 2287 O HOH A 471 7.458 -16.757 14.682 1.00 22.05 O HETATM 2288 O HOH A 472 -2.480 -9.293 17.254 1.00 26.33 O HETATM 2289 O HOH A 473 2.212 -19.350 14.638 1.00 21.35 O HETATM 2290 O HOH A 474 23.537 -9.569 9.774 1.00 26.96 O HETATM 2291 O HOH A 475 6.222 -16.739 18.845 1.00 21.19 O HETATM 2292 O HOH A 476 -2.698 1.075 3.857 1.00 26.73 O HETATM 2293 O HOH A 477 23.664 -11.462 5.229 1.00 24.64 O HETATM 2294 O HOH A 478 4.418 -12.736 32.775 1.00 34.85 O HETATM 2295 O HOH A 479 22.300 -9.902 25.112 1.00 28.80 O HETATM 2296 O HOH A 480 14.509 -3.391 37.247 1.00 20.53 O HETATM 2297 O HOH A 481 14.149 -18.263 19.403 1.00 21.54 O HETATM 2298 O HOH A 482 19.438 -11.335 27.206 1.00 29.72 O HETATM 2299 O HOH A 483 -3.937 -7.616 1.943 1.00 27.09 O HETATM 2300 O HOH A 484 -5.683 -2.054 25.229 1.00 24.91 O HETATM 2301 O HOH A 485 9.488 13.646 6.860 1.00 40.75 O HETATM 2302 O HOH A 486 36.517 4.797 20.977 1.00 35.12 O HETATM 2303 O HOH A 487 -4.896 8.009 26.900 1.00 30.47 O HETATM 2304 O HOH A 488 8.243 14.976 31.705 1.00 32.38 O HETATM 2305 O HOH A 489 25.342 -0.796 28.734 1.00 33.18 O HETATM 2306 O HOH A 490 18.464 -1.317 11.215 1.00 26.92 O HETATM 2307 O HOH A 491 20.822 -12.413 22.079 1.00 25.52 O HETATM 2308 O HOH A 492 12.388 -17.982 26.544 1.00 25.71 O HETATM 2309 O HOH A 493 13.710 -15.041 1.497 1.00 28.79 O HETATM 2310 O HOH A 494 1.116 -14.909 2.926 1.00 28.66 O HETATM 2311 O HOH A 495 33.759 -1.738 13.245 1.00 26.27 O HETATM 2312 O HOH A 496 -1.029 -12.239 18.643 1.00 35.30 O HETATM 2313 O HOH A 497 4.027 -12.015 26.313 1.00 26.82 O HETATM 2314 O HOH A 498 29.396 5.035 27.728 1.00 33.13 O HETATM 2315 O HOH A 499 -3.352 -4.934 0.423 1.00 27.44 O HETATM 2316 O HOH A 500 16.325 -10.080 32.112 1.00 23.57 O HETATM 2317 O HOH A 501 1.728 15.950 9.103 1.00 30.45 O HETATM 2318 O HOH A 502 20.363 12.806 23.079 1.00 30.25 O HETATM 2319 O HOH A 503 23.023 -12.482 20.305 1.00 36.67 O HETATM 2320 O HOH A 504 14.589 -17.966 23.965 1.00 26.73 O HETATM 2321 O HOH A 505 23.141 9.823 27.575 1.00 28.68 O HETATM 2322 O HOH A 506 22.948 -13.872 9.244 1.00 26.53 O HETATM 2323 O HOH A 507 20.575 -6.703 32.620 1.00 24.09 O HETATM 2324 O HOH A 508 34.918 7.674 19.145 1.00 31.46 O HETATM 2325 O HOH A 509 4.766 17.701 23.766 1.00 28.00 O HETATM 2326 O HOH A 510 6.753 -14.757 29.193 1.00 32.02 O HETATM 2327 O HOH A 511 14.343 -13.103 31.478 1.00 27.19 O HETATM 2328 O HOH A 512 8.576 18.335 11.192 1.00 25.40 O HETATM 2329 O HOH A 513 -2.446 -11.370 11.278 1.00 25.36 O HETATM 2330 O HOH A 514 -6.613 4.558 23.625 1.00 34.44 O HETATM 2331 O HOH A 515 -5.240 5.099 15.612 1.00 27.86 O HETATM 2332 O HOH A 516 -5.699 0.650 26.088 1.00 30.72 O HETATM 2333 O HOH A 517 10.586 16.763 12.017 1.00 21.66 O HETATM 2334 O HOH A 518 0.562 15.489 28.951 1.00 37.85 O HETATM 2335 O HOH A 519 27.557 1.165 -1.051 1.00 45.28 O HETATM 2336 O HOH A 520 12.605 2.428 -6.559 1.00 31.60 O HETATM 2337 O HOH A 521 32.409 -5.186 22.196 1.00 31.95 O HETATM 2338 O HOH A 522 17.582 7.535 -2.539 1.00 31.03 O HETATM 2339 O HOH A 523 20.646 2.840 34.445 1.00 33.54 O HETATM 2340 O HOH A 524 8.085 -7.033 -3.342 1.00 30.69 O HETATM 2341 O HOH A 525 -6.922 6.959 25.332 1.00 31.85 O HETATM 2342 O HOH A 526 2.742 -1.586 -2.596 1.00 29.77 O HETATM 2343 O HOH A 527 -7.914 -3.778 24.547 1.00 30.07 O HETATM 2344 O HOH A 528 25.235 -9.541 23.621 1.00 40.45 O HETATM 2345 O HOH A 529 -8.889 6.146 27.177 1.00 37.64 O HETATM 2346 O HOH A 530 19.870 -15.955 17.878 1.00 30.49 O HETATM 2347 O HOH A 531 1.846 -19.043 5.518 1.00 30.60 O HETATM 2348 O HOH A 532 16.699 -6.739 31.111 1.00 27.41 O HETATM 2349 O HOH A 533 32.701 1.536 15.911 1.00 27.88 O HETATM 2350 O HOH A 534 35.385 1.854 14.938 1.00 29.17 O HETATM 2351 O HOH A 535 26.128 -5.545 22.387 1.00 33.66 O HETATM 2352 O HOH A 536 25.904 -3.107 20.914 1.00 18.23 O HETATM 2353 O HOH A 537 19.891 3.631 11.491 1.00 48.27 O HETATM 2354 O HOH A 538 14.417 9.926 10.763 1.00 42.01 O HETATM 2355 O HOH A 539 14.387 17.874 11.645 1.00 33.24 O HETATM 2356 O HOH A 540 24.547 -11.855 12.268 1.00 35.05 O HETATM 2357 O HOH A 541 37.178 -13.243 8.138 1.00 29.52 O HETATM 2358 O HOH A 542 -6.550 -5.224 7.569 1.00 33.51 O HETATM 2359 O HOH A 543 22.375 10.676 24.262 1.00 29.27 O HETATM 2360 O HOH A 544 18.653 12.244 31.796 1.00 28.74 O HETATM 2361 O HOH A 545 13.767 -6.785 32.649 1.00 23.70 O HETATM 2362 O HOH A 546 11.909 -3.912 35.937 1.00 26.03 O HETATM 2363 O HOH A 547 17.706 -2.741 37.405 1.00 41.16 O HETATM 2364 O HOH A 548 22.187 -4.603 34.318 1.00 33.09 O HETATM 2365 O HOH A 549 18.431 -7.337 34.438 1.00 34.21 O HETATM 2366 O HOH A 550 16.134 -7.792 33.569 1.00 39.63 O HETATM 2367 O HOH A 551 4.090 -12.184 37.146 1.00 31.06 O HETATM 2368 O HOH A 552 10.094 2.941 33.678 1.00 30.88 O HETATM 2369 O HOH A 553 10.906 3.402 38.575 1.00 36.30 O HETATM 2370 O HOH A 554 -2.181 1.302 34.355 1.00 32.70 O HETATM 2371 O HOH A 555 -4.112 11.503 12.883 1.00 28.02 O HETATM 2372 O HOH A 556 -3.779 13.963 6.366 1.00 29.76 O HETATM 2373 O HOH A 557 -2.636 10.093 3.447 1.00 27.23 O HETATM 2374 O HOH A 558 -0.531 17.479 3.740 1.00 35.09 O HETATM 2375 O HOH A 559 16.176 4.923 -5.865 1.00 38.20 O HETATM 2376 O HOH A 560 21.464 2.483 -6.659 1.00 33.01 O HETATM 2377 O HOH A 561 8.365 18.022 7.915 1.00 29.83 O HETATM 2378 O HOH A 562 7.825 20.855 8.476 1.00 24.71 O HETATM 2379 O HOH A 563 8.060 9.705 29.044 1.00 30.45 O HETATM 2380 O HOH A 564 6.887 11.221 31.673 1.00 38.07 O HETATM 2381 O HOH A 565 8.789 14.308 29.092 1.00 25.96 O HETATM 2382 O HOH A 566 10.412 -17.480 19.882 1.00 28.04 O HETATM 2383 O HOH A 567 3.690 -14.415 22.044 1.00 27.39 O HETATM 2384 O HOH A 568 3.962 -16.095 20.163 1.00 26.65 O HETATM 2385 O HOH A 569 12.440 -13.280 33.144 1.00 38.95 O HETATM 2386 O HOH A 570 10.462 -17.236 33.540 1.00 38.79 O HETATM 2387 O HOH A 571 19.019 -15.557 25.290 1.00 28.56 O HETATM 2388 O HOH A 572 3.842 -2.250 -5.164 1.00 37.39 O HETATM 2389 O HOH A 573 13.590 -8.304 -4.491 1.00 33.83 O HETATM 2390 O HOH A 574 16.995 -13.737 -2.212 1.00 33.64 O HETATM 2391 O HOH A 575 3.314 4.793 -6.631 1.00 34.05 O HETATM 2392 O HOH A 576 12.092 7.908 29.033 1.00 30.62 O HETATM 2393 O HOH A 577 -0.409 -18.589 14.686 1.00 31.45 O HETATM 2394 O HOH A 578 29.186 -6.669 -0.191 1.00 34.54 O HETATM 2395 O HOH A 579 30.137 -8.606 -6.949 1.00 33.21 O HETATM 2396 O HOH A 580 22.619 -14.641 18.525 1.00 42.37 O HETATM 2397 O HOH A 581 31.136 -0.514 13.684 1.00 34.17 O HETATM 2398 O HOH A 582 24.705 6.394 10.409 1.00 41.74 O HETATM 2399 O HOH A 583 23.751 -11.603 8.122 1.00 30.52 O HETATM 2400 O HOH A 584 27.355 -13.557 6.060 1.00 37.14 O HETATM 2401 O HOH A 585 26.543 -10.840 5.503 1.00 30.19 O HETATM 2402 O HOH A 586 34.934 0.825 28.367 1.00 37.33 O HETATM 2403 O HOH A 587 11.754 4.806 34.590 1.00 32.84 O HETATM 2404 O HOH A 588 9.943 -13.427 33.970 1.00 38.65 O HETATM 2405 O HOH A 589 2.560 -7.130 34.777 1.00 32.85 O HETATM 2406 O HOH A 590 17.894 8.276 5.860 1.00 42.81 O HETATM 2407 O HOH A 591 17.022 17.348 11.253 1.00 36.76 O HETATM 2408 O HOH A 592 11.263 17.855 7.957 1.00 39.98 O HETATM 2409 O HOH A 593 1.297 18.240 18.903 1.00 34.26 O HETATM 2410 O HOH A 594 18.231 -15.904 5.280 1.00 35.08 O HETATM 2411 O HOH A 595 18.898 -10.179 31.376 1.00 46.30 O HETATM 2412 O HOH A 596 20.215 16.280 15.759 1.00 35.48 O HETATM 2413 O HOH A 597 10.348 22.730 24.970 1.00 29.31 O HETATM 2414 O HOH A 598 15.247 19.167 27.078 1.00 38.66 O HETATM 2415 O HOH A 599 13.558 -6.915 -2.466 1.00 31.11 O HETATM 2416 O HOH A 600 15.617 -10.775 -5.448 1.00 40.04 O HETATM 2417 O HOH A 601 8.383 5.504 -6.960 1.00 37.34 O HETATM 2418 O HOH A 602 16.171 -13.952 0.536 1.00 32.93 O HETATM 2419 O HOH A 603 26.929 -1.072 6.793 1.00 41.28 O HETATM 2420 O HOH A 604 27.334 -9.202 14.654 1.00 37.54 O HETATM 2421 O HOH A 605 31.939 -10.516 21.732 1.00 42.10 O HETATM 2422 O HOH A 606 4.072 -4.972 39.937 1.00 35.81 O HETATM 2423 O HOH A 607 1.101 -2.216 41.369 1.00 31.21 O HETATM 2424 O HOH A 608 0.280 10.245 29.946 1.00 33.13 O HETATM 2425 O HOH A 609 -3.238 -0.069 28.944 1.00 39.20 O HETATM 2426 O HOH A 610 -0.862 21.444 12.246 1.00 32.09 O HETATM 2427 O HOH A 611 22.650 14.361 22.220 1.00 38.76 O HETATM 2428 O HOH A 612 -0.366 -11.906 23.172 1.00 32.34 O HETATM 2429 O HOH A 613 1.155 -13.855 22.380 1.00 33.92 O HETATM 2430 O HOH A 614 25.077 -11.387 22.032 1.00 46.79 O HETATM 2431 O HOH A 615 17.724 -15.959 -0.117 1.00 36.28 O HETATM 2432 O HOH A 616 12.581 -13.510 36.573 1.00 35.29 O HETATM 2433 O HOH A 617 27.741 7.490 28.490 1.00 39.55 O HETATM 2434 O HOH A 618 -0.382 -4.937 -2.009 1.00 45.70 O HETATM 2435 O HOH A 619 19.407 5.089 -7.012 1.00 37.81 O HETATM 2436 O HOH A 620 -3.129 1.668 1.189 1.00 38.32 O HETATM 2437 O HOH A 621 30.751 -11.500 9.217 1.00 45.79 O HETATM 2438 O HOH A 622 31.614 5.487 7.158 1.00 46.34 O HETATM 2439 O HOH A 623 14.016 7.449 6.468 1.00 37.72 O HETATM 2440 O HOH A 624 32.728 2.382 28.730 1.00 42.12 O HETATM 2441 O HOH A 625 29.983 9.494 18.607 1.00 40.33 O HETATM 2442 O HOH A 626 21.491 4.965 10.108 1.00 40.45 O HETATM 2443 O HOH A 627 9.645 2.985 -7.736 1.00 44.68 O HETATM 2444 O HOH A 628 8.447 11.725 -2.818 1.00 34.24 O HETATM 2445 O HOH A 629 -3.999 6.562 8.138 1.00 39.98 O HETATM 2446 O HOH A 630 30.261 3.865 12.072 1.00 39.11 O HETATM 2447 O HOH A 631 35.095 -9.936 15.695 1.00 40.75 O HETATM 2448 O HOH A 632 18.593 -13.015 32.537 1.00 32.89 O HETATM 2449 O HOH A 633 1.366 17.140 16.591 1.00 29.11 O CONECT 807 2190 CONECT 828 2190 CONECT 1005 2190 CONECT 2190 807 828 1005 2209 CONECT 2191 2192 2193 2194 CONECT 2192 2191 CONECT 2193 2191 CONECT 2194 2191 CONECT 2195 2196 2197 2198 CONECT 2196 2195 CONECT 2197 2195 CONECT 2198 2195 CONECT 2199 2200 CONECT 2200 2199 2201 2202 2211 CONECT 2201 2200 CONECT 2202 2200 2203 2205 CONECT 2203 2202 2206 CONECT 2204 2205 2206 CONECT 2205 2202 2204 CONECT 2206 2203 2204 2207 CONECT 2207 2206 2208 2209 2210 CONECT 2208 2207 CONECT 2209 2190 2207 CONECT 2210 2207 CONECT 2211 2200 2212 2216 CONECT 2212 2211 2213 CONECT 2213 2212 2214 CONECT 2214 2213 2215 CONECT 2215 2214 2216 CONECT 2216 2211 2215 END