USER MOD reduce.3.24.130724 H: found=0, std=0, add=1098, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTEIN BINDING 08-JUN-18 6A1V TITLE CHARCOT-LEYDEN CRYSTAL PROTEIN/GALECTIN-10 VARIANT E33Q COMPND MOL_ID: 1; COMPND 2 MOLECULE: GALECTIN-10; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 2-142; COMPND 5 SYNONYM: GAL-10,CHARCOT-LEYDEN CRYSTAL PROTEIN; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CLC; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS CHARCOT-LEYDEN CRYSTAL PROTEIN/GALECTIN-10 VARIANT E33Q, PROTEIN KEYWDS 2 BINDING EXPDTA X-RAY DIFFRACTION AUTHOR J.SU REVDAT 1 26-DEC-18 6A1V 0 JRNL AUTH J.SU,C.SONG,Y.SI,L.CUI,T.YANG,Y.LI,H.WANG,G.TAI,Y.ZHOU JRNL TITL IDENTIFICATION OF KEY AMINO ACID RESIDUES DETERMINING LIGAND JRNL TITL 2 BINDING SPECIFICITY, HOMODIMERIZATION AND CELLULAR JRNL TITL 3 DISTRIBUTION OF HUMAN GALECTIN-10 JRNL REF GLYCOBIOLOGY V. 29 85 2019 JRNL REFN ESSN 1460-2423 JRNL PMID 30239701 JRNL DOI 10.1093/GLYCOB/CWY087 REMARK 2 REMARK 2 RESOLUTION. 1.98 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.13_2998: ???) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : NULL REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.98 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.63 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.330 REMARK 3 COMPLETENESS FOR RANGE (%) : 97.1 REMARK 3 NUMBER OF REFLECTIONS : 13404 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.202 REMARK 3 R VALUE (WORKING SET) : 0.199 REMARK 3 FREE R VALUE : 0.232 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1340 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : NULL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.150 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.120 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.28 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : NULL NULL REMARK 3 ANGLE : NULL NULL REMARK 3 CHIRALITY : NULL NULL REMARK 3 PLANARITY : NULL NULL REMARK 3 DIHEDRAL : NULL NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : NULL REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 6A1V COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 14-JUN-18. REMARK 100 THE DEPOSITION ID IS D_1300008034. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 11-NOV-17 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : SSRF REMARK 200 BEAMLINE : BL18U1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.98 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : PIXEL REMARK 200 DETECTOR MANUFACTURER : DECTRIS PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13899 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.980 REMARK 200 RESOLUTION RANGE LOW (A) : 19.980 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 3.400 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 8.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.98 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.03 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.21 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BISTRIS, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 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 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 173.17267 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 86.58633 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 129.87950 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 43.29317 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 216.46583 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 173.17267 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 86.58633 REMARK 290 SMTRY1 10 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 10 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 10 0.000000 0.000000 -1.000000 43.29317 REMARK 290 SMTRY1 11 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 11 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 11 0.000000 0.000000 -1.000000 129.87950 REMARK 290 SMTRY1 12 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 12 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 12 0.000000 0.000000 -1.000000 216.46583 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1730 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12470 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -4.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.500000 -0.866025 0.000000 0.00000 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 43.29317 REMARK 375 REMARK 375 SPECIAL POSITION REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL REMARK 375 POSITIONS. REMARK 375 REMARK 375 ATOM RES CSSEQI REMARK 375 HOH A 273 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 290 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 LYS A 45 CG CD CE NZ REMARK 470 ARG A 60 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 90 CG CD OE1 OE2 REMARK 470 LYS A 134 CG CD CE NZ 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 ARG A 60 -72.01 -123.15 REMARK 500 LYS A 73 -150.44 -101.61 REMARK 500 SER A 109 -31.52 -131.12 REMARK 500 ARG A 128 -148.65 77.87 REMARK 500 ASP A 129 59.66 -90.52 REMARK 500 REMARK 500 REMARK: NULL DBREF 6A1V A 1 142 UNP Q05315 LEG10_HUMAN 1 142 SEQADV 6A1V GLY A -2 UNP Q05315 EXPRESSION TAG SEQADV 6A1V SER A -1 UNP Q05315 EXPRESSION TAG SEQADV 6A1V HIS A 0 UNP Q05315 EXPRESSION TAG SEQADV 6A1V GLN A 33 UNP Q05315 GLU 33 ENGINEERED MUTATION SEQRES 1 A 145 GLY SER HIS MET SER LEU LEU PRO VAL PRO TYR THR GLU SEQRES 2 A 145 ALA ALA SER LEU SER THR GLY SER THR VAL THR ILE LYS SEQRES 3 A 145 GLY ARG PRO LEU ALA CYS PHE LEU ASN GLN PRO TYR LEU SEQRES 4 A 145 GLN VAL ASP PHE HIS THR GLU MET LYS GLU GLU SER ASP SEQRES 5 A 145 ILE VAL PHE HIS PHE GLN VAL CYS PHE GLY ARG ARG VAL SEQRES 6 A 145 VAL MET ASN SER ARG GLU TYR GLY ALA TRP LYS GLN GLN SEQRES 7 A 145 VAL GLU SER LYS ASN MET PRO PHE GLN ASP GLY GLN GLU SEQRES 8 A 145 PHE GLU LEU SER ILE SER VAL LEU PRO ASP LYS TYR GLN SEQRES 9 A 145 VAL MET VAL ASN GLY GLN SER SER TYR THR PHE ASP HIS SEQRES 10 A 145 ARG ILE LYS PRO GLU ALA VAL LYS MET VAL GLN VAL TRP SEQRES 11 A 145 ARG ASP ILE SER LEU THR LYS PHE ASN VAL SER TYR LEU SEQRES 12 A 145 LYS ARG FORMUL 2 HOH *145(H2 O) HELIX 1 AA1 CYS A 29 GLN A 33 5 5 HELIX 2 AA2 LYS A 117 VAL A 121 5 5 SHEET 1 AA1 6 TYR A 8 ALA A 11 0 SHEET 2 AA1 6 MET A 123 ARG A 128 -1 O VAL A 126 N TYR A 8 SHEET 3 AA1 6 TYR A 35 HIS A 41 -1 N HIS A 41 O MET A 123 SHEET 4 AA1 6 ILE A 50 CYS A 57 -1 O VAL A 56 N LEU A 36 SHEET 5 AA1 6 ARG A 61 GLU A 68 -1 O ARG A 61 N CYS A 57 SHEET 6 AA1 6 ALA A 71 TRP A 72 -1 O ALA A 71 N GLU A 68 SHEET 1 AA2 6 TYR A 8 ALA A 11 0 SHEET 2 AA2 6 MET A 123 ARG A 128 -1 O VAL A 126 N TYR A 8 SHEET 3 AA2 6 TYR A 35 HIS A 41 -1 N HIS A 41 O MET A 123 SHEET 4 AA2 6 ILE A 50 CYS A 57 -1 O VAL A 56 N LEU A 36 SHEET 5 AA2 6 ARG A 61 GLU A 68 -1 O ARG A 61 N CYS A 57 SHEET 6 AA2 6 VAL A 76 SER A 78 -1 O VAL A 76 N MET A 64 SHEET 1 AA3 5 GLN A 107 ASP A 113 0 SHEET 2 AA3 5 LYS A 99 VAL A 104 -1 N VAL A 102 O TYR A 110 SHEET 3 AA3 5 PHE A 89 VAL A 95 -1 N SER A 92 O MET A 103 SHEET 4 AA3 5 THR A 19 PRO A 26 -1 N ILE A 22 O LEU A 91 SHEET 5 AA3 5 ILE A 130 VAL A 137 -1 O SER A 131 N ARG A 25 CISPEP 1 VAL A 6 PRO A 7 0 0.84 CRYST1 48.967 48.967 259.759 90.00 90.00 120.00 P 65 2 2 12 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 0.020422 0.011791 0.000000 0.00000 SCALE2 0.000000 0.023581 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003850 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 GLN : amide:sc= 1.38 K(o=1.6,f=0.5) USER MOD Set 1.2: A 108 SER OG : rot 118:sc= 0.203 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 41 HIS : no HD1:sc= 0.828 K(o=1.2,f=-6.8!) USER MOD Set 3.2: A 48 SER OG : rot -87:sc= 0.493 USER MOD Set 3.3: A 123 MET CE :methyl -175:sc= -0.0904 (180deg=-0.0304) USER MOD Set 4.1: A 37 GLN : amide:sc= 0.399 K(o=1.5,f=-6.2!) USER MOD Set 4.2: A 53 HIS : no HE2:sc= 0.151 K(o=1.5,f=-0.57!) USER MOD Set 4.3: A 55 GLN : amide:sc= 0.93 K(o=1.5,f=0.42) USER MOD Set 5.1: A 35 TYR OH : rot 180:sc= 0.781 USER MOD Set 5.2: A 57 CYS SG : rot 101:sc= 0.0609 USER MOD Single : A 2 SER OG : rot 180:sc= 0.00579! USER MOD Single : A 8 TYR OH : rot 180:sc= 2.45 USER MOD Single : A 9 THR OG1 : rot 76:sc= 1.32 USER MOD Single : A 13 SER OG : rot -95:sc= 1.5 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -30:sc= 0.323 USER MOD Single : A 18 SER OG : rot -112:sc= 1.62 USER MOD Single : A 21 THR OG1 : rot 87:sc= 1.04 USER MOD Single : A 23 LYS NZ :NH3+ -142:sc= -0.205 (180deg=-0.83) USER MOD Single : A 29 CYS SG : rot 180:sc= 0.00386 USER MOD Single : A 32 ASN : amide:sc= -0.018 K(o=-0.018,f=-1.6!) USER MOD Single : A 33 GLN : amide:sc= 1.74 K(o=1.7,f=-0.14) USER MOD Single : A 42 THR OG1 : rot 128:sc= 1.35 USER MOD Single : A 44 MET CE :methyl -165:sc= -0.0495 (180deg=-0.314) USER MOD Single : A 64 MET CE :methyl -164:sc= -0.482 (180deg=-0.838) USER MOD Single : A 65 ASN : amide:sc= 1.7 K(o=1.7,f=-8.5!) USER MOD Single : A 66 SER OG : rot 138:sc= 0.818 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0304 X(o=-0.03,f=-0.2) USER MOD Single : A 75 GLN : amide:sc= 0.868 K(o=0.87,f=0.25) USER MOD Single : A 78 SER OG : rot 170:sc= 0.182 USER MOD Single : A 79 LYS NZ :NH3+ -121:sc= -0.16 (180deg=-0.702) USER MOD Single : A 80 ASN : amide:sc= 0.869 K(o=0.87,f=0.26) USER MOD Single : A 81 MET CE :methyl 167:sc= -0.0641 (180deg=-0.271) USER MOD Single : A 84 GLN : amide:sc= 1.06 K(o=1.1,f=-0.32) USER MOD Single : A 87 GLN : amide:sc= 0.91 K(o=0.91,f=-0.27) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 30:sc= 0.96 USER MOD Single : A 103 MET CE :methyl -151:sc= -0.162 (180deg=-0.739) USER MOD Single : A 105 ASN : amide:sc= 1.98 K(o=2,f=-3.3!) USER MOD Single : A 107 GLN : amide:sc= 1.31 K(o=1.3,f=-0.1) USER MOD Single : A 109 SER OG : rot 68:sc= 0.468 USER MOD Single : A 110 TYR OH : rot 4:sc= 0.348 USER MOD Single : A 111 THR OG1 : rot 119:sc= 3.02 USER MOD Single : A 114 HIS : no HD1:sc= 1.75 K(o=1.8,f=-3.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 146:sc= -1.63! (180deg=-2.57!) USER MOD Single : A 125 GLN : amide:sc= 2.08 K(o=2.1,f=0.55) USER MOD Single : A 131 SER OG : rot 89:sc= 1.92 USER MOD Single : A 133 THR OG1 : rot 40:sc= -0.448 USER MOD Single : A 136 ASN : amide:sc= 2.84 K(o=2.8,f=2.3) USER MOD Single : A 138 SER OG : rot 94:sc= 1.7 USER MOD Single : A 139 TYR OH : rot 174:sc= 0.402 USER MOD Single : A 141 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0257) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 35.143 -27.196 19.212 1.00 53.15 N ATOM 2 CA SER A 2 35.717 -28.453 18.734 1.00 56.25 C ATOM 3 C SER A 2 36.894 -28.231 17.762 1.00 58.16 C ATOM 4 O SER A 2 38.008 -27.931 18.207 1.00 64.30 O ATOM 5 CB SER A 2 34.634 -29.319 18.071 1.00 51.38 C ATOM 6 OG SER A 2 34.330 -28.868 16.763 1.00 48.82 O ATOM 0 HA SER A 2 36.070 -28.917 19.509 1.00 56.25 H new ATOM 0 HB2 SER A 2 34.934 -30.241 18.034 1.00 51.38 H new ATOM 0 HB3 SER A 2 33.830 -29.304 18.614 1.00 51.38 H new ATOM 0 HG SER A 2 33.738 -29.360 16.427 1.00 48.82 H new ATOM 7 N LEU A 3 36.640 -28.368 16.452 1.00 51.42 N ATOM 8 CA LEU A 3 37.698 -28.441 15.438 1.00 51.73 C ATOM 9 C LEU A 3 38.023 -27.088 14.797 1.00 49.86 C ATOM 10 O LEU A 3 39.178 -26.647 14.829 1.00 49.98 O ATOM 11 CB LEU A 3 37.321 -29.452 14.343 1.00 52.73 C ATOM 12 CG LEU A 3 37.400 -30.949 14.666 1.00 58.46 C ATOM 13 CD1 LEU A 3 36.175 -31.678 14.123 1.00 55.14 C ATOM 14 CD2 LEU A 3 38.690 -31.572 14.123 1.00 58.44 C ATOM 0 H LEU A 3 35.845 -28.421 16.128 1.00 51.42 H new ATOM 0 HA LEU A 3 38.497 -28.733 15.904 1.00 51.73 H new ATOM 0 HB2 LEU A 3 36.412 -29.259 14.064 1.00 52.73 H new ATOM 0 HB3 LEU A 3 37.894 -29.285 13.578 1.00 52.73 H new ATOM 0 HG LEU A 3 37.413 -31.045 15.631 1.00 58.46 H new ATOM 0 HD11 LEU A 3 36.240 -32.622 14.335 1.00 55.14 H new ATOM 0 HD12 LEU A 3 35.374 -31.310 14.528 1.00 55.14 H new ATOM 0 HD13 LEU A 3 36.131 -31.565 13.161 1.00 55.14 H new ATOM 0 HD21 LEU A 3 38.711 -32.517 14.343 1.00 58.44 H new ATOM 0 HD22 LEU A 3 38.721 -31.464 13.160 1.00 58.44 H new ATOM 0 HD23 LEU A 3 39.456 -31.131 14.523 1.00 58.44 H new ATOM 15 N LEU A 4 37.026 -26.441 14.165 1.00 43.01 N ATOM 16 CA LEU A 4 37.242 -25.146 13.520 1.00 34.01 C ATOM 17 C LEU A 4 37.047 -24.018 14.529 1.00 33.64 C ATOM 18 O LEU A 4 36.061 -24.014 15.270 1.00 37.09 O ATOM 19 CB LEU A 4 36.274 -24.943 12.360 1.00 30.63 C ATOM 20 CG LEU A 4 36.296 -25.877 11.157 1.00 31.44 C ATOM 21 CD1 LEU A 4 35.236 -25.424 10.180 1.00 28.65 C ATOM 22 CD2 LEU A 4 37.681 -25.908 10.510 1.00 34.54 C ATOM 0 H LEU A 4 36.222 -26.740 14.103 1.00 43.01 H new ATOM 0 HA LEU A 4 38.150 -25.133 13.180 1.00 34.01 H new ATOM 0 HB2 LEU A 4 35.377 -24.973 12.728 1.00 30.63 H new ATOM 0 HB3 LEU A 4 36.414 -24.043 12.026 1.00 30.63 H new ATOM 0 HG LEU A 4 36.103 -26.784 11.441 1.00 31.44 H new ATOM 0 HD11 LEU A 4 35.237 -26.010 9.407 1.00 28.65 H new ATOM 0 HD12 LEU A 4 34.366 -25.456 10.608 1.00 28.65 H new ATOM 0 HD13 LEU A 4 35.423 -24.515 9.897 1.00 28.65 H new ATOM 0 HD21 LEU A 4 37.669 -26.508 9.748 1.00 34.54 H new ATOM 0 HD22 LEU A 4 37.920 -25.016 10.214 1.00 34.54 H new ATOM 0 HD23 LEU A 4 38.334 -26.220 11.157 1.00 34.54 H new ATOM 23 N PRO A 5 37.953 -23.042 14.557 1.00 35.65 N ATOM 24 CA PRO A 5 37.873 -21.987 15.581 1.00 32.89 C ATOM 25 C PRO A 5 36.655 -21.097 15.355 1.00 28.92 C ATOM 26 O PRO A 5 36.402 -20.647 14.236 1.00 29.20 O ATOM 27 CB PRO A 5 39.175 -21.205 15.376 1.00 35.92 C ATOM 28 CG PRO A 5 39.411 -21.329 13.860 1.00 36.66 C ATOM 29 CD PRO A 5 38.973 -22.746 13.533 1.00 36.99 C ATOM 0 HA PRO A 5 37.776 -22.335 16.481 1.00 32.89 H new ATOM 0 HB2 PRO A 5 39.086 -20.279 15.652 1.00 35.92 H new ATOM 0 HB3 PRO A 5 39.907 -21.584 15.887 1.00 35.92 H new ATOM 0 HG2 PRO A 5 38.893 -20.674 13.365 1.00 36.66 H new ATOM 0 HG3 PRO A 5 40.343 -21.184 13.633 1.00 36.66 H new ATOM 0 HD2 PRO A 5 38.607 -22.808 12.637 1.00 36.99 H new ATOM 0 HD3 PRO A 5 39.716 -23.368 13.580 1.00 36.99 H new ATOM 30 N VAL A 6 35.909 -20.832 16.422 1.00 24.45 N ATOM 31 CA VAL A 6 34.754 -19.940 16.381 1.00 22.42 C ATOM 32 C VAL A 6 35.046 -18.759 17.290 1.00 22.73 C ATOM 33 O VAL A 6 35.460 -18.957 18.435 1.00 20.67 O ATOM 34 CB VAL A 6 33.452 -20.644 16.803 1.00 23.36 C ATOM 35 CG1 VAL A 6 32.325 -19.645 16.927 1.00 22.33 C ATOM 36 CG2 VAL A 6 33.087 -21.703 15.790 1.00 22.18 C ATOM 0 H VAL A 6 36.060 -21.168 17.199 1.00 24.45 H new ATOM 0 HA VAL A 6 34.615 -19.645 15.467 1.00 22.42 H new ATOM 0 HB VAL A 6 33.594 -21.062 17.667 1.00 23.36 H new ATOM 0 HG11 VAL A 6 31.513 -20.104 17.193 1.00 22.33 H new ATOM 0 HG12 VAL A 6 32.554 -18.980 17.595 1.00 22.33 H new ATOM 0 HG13 VAL A 6 32.184 -19.209 16.072 1.00 22.33 H new ATOM 0 HG21 VAL A 6 32.266 -22.142 16.062 1.00 22.18 H new ATOM 0 HG22 VAL A 6 32.960 -21.290 14.922 1.00 22.18 H new ATOM 0 HG23 VAL A 6 33.801 -22.358 15.735 1.00 22.18 H new ATOM 37 N PRO A 7 34.848 -17.499 16.838 1.00 24.54 N ATOM 38 CA PRO A 7 34.349 -17.029 15.532 1.00 19.75 C ATOM 39 C PRO A 7 35.167 -17.517 14.347 1.00 24.10 C ATOM 40 O PRO A 7 36.395 -17.529 14.405 1.00 27.43 O ATOM 41 CB PRO A 7 34.449 -15.505 15.649 1.00 18.96 C ATOM 42 CG PRO A 7 34.367 -15.229 17.105 1.00 22.26 C ATOM 43 CD PRO A 7 35.078 -16.374 17.767 1.00 22.82 C ATOM 0 HA PRO A 7 33.456 -17.366 15.359 1.00 19.75 H new ATOM 0 HB2 PRO A 7 35.282 -15.177 15.275 1.00 18.96 H new ATOM 0 HB3 PRO A 7 33.730 -15.067 15.167 1.00 18.96 H new ATOM 0 HG2 PRO A 7 34.787 -14.383 17.325 1.00 22.26 H new ATOM 0 HG3 PRO A 7 33.444 -15.173 17.399 1.00 22.26 H new ATOM 0 HD2 PRO A 7 36.024 -16.191 17.880 1.00 22.82 H new ATOM 0 HD3 PRO A 7 34.717 -16.558 18.648 1.00 22.82 H new ATOM 44 N TYR A 8 34.484 -17.930 13.290 1.00 20.63 N ATOM 45 CA TYR A 8 35.116 -18.476 12.100 1.00 19.25 C ATOM 46 C TYR A 8 34.927 -17.501 10.954 1.00 20.03 C ATOM 47 O TYR A 8 33.795 -17.129 10.636 1.00 18.75 O ATOM 48 CB TYR A 8 34.512 -19.831 11.738 1.00 19.62 C ATOM 49 CG TYR A 8 35.177 -20.478 10.563 1.00 21.86 C ATOM 50 CD1 TYR A 8 36.347 -21.206 10.723 1.00 26.77 C ATOM 51 CD2 TYR A 8 34.640 -20.360 9.288 1.00 23.84 C ATOM 52 CE1 TYR A 8 36.967 -21.803 9.634 1.00 31.28 C ATOM 53 CE2 TYR A 8 35.244 -20.952 8.189 1.00 24.02 C ATOM 54 CZ TYR A 8 36.410 -21.675 8.361 1.00 29.13 C ATOM 55 OH TYR A 8 37.016 -22.268 7.267 1.00 30.77 O ATOM 0 H TYR A 8 33.626 -17.900 13.243 1.00 20.63 H new ATOM 0 HA TYR A 8 36.062 -18.606 12.273 1.00 19.25 H new ATOM 0 HB2 TYR A 8 34.576 -20.422 12.504 1.00 19.62 H new ATOM 0 HB3 TYR A 8 33.568 -19.717 11.546 1.00 19.62 H new ATOM 0 HD1 TYR A 8 36.720 -21.295 11.570 1.00 26.77 H new ATOM 0 HD2 TYR A 8 33.857 -19.873 9.168 1.00 23.84 H new ATOM 0 HE1 TYR A 8 37.752 -22.287 9.753 1.00 31.28 H new ATOM 0 HE2 TYR A 8 34.868 -20.863 7.343 1.00 24.02 H new ATOM 0 HH TYR A 8 36.568 -22.105 6.576 1.00 30.77 H new ATOM 56 N THR A 9 36.029 -17.099 10.336 1.00 19.57 N ATOM 57 CA THR A 9 36.011 -16.153 9.229 1.00 20.59 C ATOM 58 C THR A 9 36.723 -16.757 8.033 1.00 22.02 C ATOM 59 O THR A 9 37.818 -17.312 8.170 1.00 25.27 O ATOM 60 CB THR A 9 36.685 -14.847 9.623 1.00 23.38 C ATOM 61 OG1 THR A 9 35.955 -14.236 10.698 1.00 23.46 O ATOM 62 CG2 THR A 9 36.744 -13.921 8.446 1.00 24.30 C ATOM 0 H THR A 9 36.817 -17.370 10.549 1.00 19.57 H new ATOM 0 HA THR A 9 35.088 -15.964 8.999 1.00 20.59 H new ATOM 0 HB THR A 9 37.591 -15.031 9.917 1.00 23.38 H new ATOM 0 HG1 THR A 9 36.125 -14.638 11.416 1.00 23.46 H new ATOM 0 HG21 THR A 9 37.175 -13.092 8.707 1.00 24.30 H new ATOM 0 HG22 THR A 9 37.251 -14.337 7.732 1.00 24.30 H new ATOM 0 HG23 THR A 9 35.844 -13.733 8.136 1.00 24.30 H new ATOM 63 N GLU A 10 36.111 -16.648 6.864 1.00 22.22 N ATOM 64 CA GLU A 10 36.724 -17.167 5.654 1.00 22.73 C ATOM 65 C GLU A 10 36.439 -16.213 4.505 1.00 21.38 C ATOM 66 O GLU A 10 35.281 -15.848 4.266 1.00 17.76 O ATOM 67 CB GLU A 10 36.197 -18.570 5.341 1.00 20.57 C ATOM 68 CG GLU A 10 36.891 -19.223 4.174 1.00 23.19 C ATOM 69 CD GLU A 10 36.542 -20.690 4.020 1.00 24.96 C ATOM 70 OE1 GLU A 10 36.675 -21.451 5.002 1.00 24.96 O ATOM 71 OE2 GLU A 10 36.127 -21.079 2.904 1.00 28.67 O ATOM 0 H GLU A 10 35.343 -16.278 6.750 1.00 22.22 H new ATOM 0 HA GLU A 10 37.683 -17.236 5.782 1.00 22.73 H new ATOM 0 HB2 GLU A 10 36.302 -19.130 6.126 1.00 20.57 H new ATOM 0 HB3 GLU A 10 35.246 -18.517 5.155 1.00 20.57 H new ATOM 0 HG2 GLU A 10 36.654 -18.753 3.359 1.00 23.19 H new ATOM 0 HG3 GLU A 10 37.851 -19.134 4.284 1.00 23.19 H new ATOM 72 N ALA A 11 37.497 -15.782 3.819 1.00 20.25 N ATOM 73 CA ALA A 11 37.318 -15.063 2.571 1.00 21.79 C ATOM 74 C ALA A 11 36.482 -15.916 1.628 1.00 20.34 C ATOM 75 O ALA A 11 36.614 -17.144 1.608 1.00 19.10 O ATOM 76 CB ALA A 11 38.675 -14.753 1.938 1.00 22.65 C ATOM 0 H ALA A 11 38.315 -15.896 4.059 1.00 20.25 H new ATOM 0 HA ALA A 11 36.864 -14.223 2.742 1.00 21.79 H new ATOM 0 HB1 ALA A 11 38.542 -14.273 1.106 1.00 22.65 H new ATOM 0 HB2 ALA A 11 39.199 -14.207 2.545 1.00 22.65 H new ATOM 0 HB3 ALA A 11 39.147 -15.582 1.761 1.00 22.65 H new ATOM 77 N ALA A 12 35.610 -15.271 0.849 1.00 18.79 N ATOM 78 CA ALA A 12 34.657 -16.037 0.052 1.00 20.65 C ATOM 79 C ALA A 12 34.160 -15.220 -1.135 1.00 22.05 C ATOM 80 O ALA A 12 34.164 -13.987 -1.117 1.00 21.56 O ATOM 81 CB ALA A 12 33.471 -16.505 0.910 1.00 17.98 C ATOM 0 H ALA A 12 35.555 -14.416 0.770 1.00 18.79 H new ATOM 0 HA ALA A 12 35.118 -16.821 -0.286 1.00 20.65 H new ATOM 0 HB1 ALA A 12 32.853 -17.011 0.360 1.00 17.98 H new ATOM 0 HB2 ALA A 12 33.795 -17.067 1.631 1.00 17.98 H new ATOM 0 HB3 ALA A 12 33.016 -15.733 1.281 1.00 17.98 H new ATOM 82 N SER A 13 33.721 -15.933 -2.169 1.00 18.82 N ATOM 83 CA SER A 13 33.008 -15.323 -3.277 1.00 20.75 C ATOM 84 C SER A 13 31.773 -16.154 -3.561 1.00 22.57 C ATOM 85 O SER A 13 31.791 -17.379 -3.432 1.00 22.89 O ATOM 86 CB SER A 13 33.872 -15.224 -4.526 1.00 21.26 C ATOM 87 OG SER A 13 34.887 -14.264 -4.322 1.00 28.37 O ATOM 0 H SER A 13 33.830 -16.783 -2.244 1.00 18.82 H new ATOM 0 HA SER A 13 32.764 -14.417 -3.031 1.00 20.75 H new ATOM 0 HB2 SER A 13 34.266 -16.087 -4.728 1.00 21.26 H new ATOM 0 HB3 SER A 13 33.327 -14.975 -5.289 1.00 21.26 H new ATOM 0 HG SER A 13 34.637 -13.522 -4.627 1.00 28.37 H new ATOM 88 N LEU A 14 30.697 -15.478 -3.937 1.00 20.34 N ATOM 89 CA LEU A 14 29.414 -16.129 -4.149 1.00 20.41 C ATOM 90 C LEU A 14 28.816 -15.668 -5.468 1.00 21.93 C ATOM 91 O LEU A 14 28.993 -14.512 -5.868 1.00 22.01 O ATOM 92 CB LEU A 14 28.438 -15.820 -3.010 1.00 17.93 C ATOM 93 CG LEU A 14 28.813 -16.230 -1.580 1.00 19.63 C ATOM 94 CD1 LEU A 14 27.697 -15.881 -0.584 1.00 17.90 C ATOM 95 CD2 LEU A 14 29.126 -17.709 -1.528 1.00 20.12 C ATOM 0 H LEU A 14 30.690 -14.629 -4.076 1.00 20.34 H new ATOM 0 HA LEU A 14 29.563 -17.087 -4.171 1.00 20.41 H new ATOM 0 HB2 LEU A 14 28.282 -14.863 -3.009 1.00 17.93 H new ATOM 0 HB3 LEU A 14 27.593 -16.245 -3.225 1.00 17.93 H new ATOM 0 HG LEU A 14 29.603 -15.730 -1.322 1.00 19.63 H new ATOM 0 HD11 LEU A 14 27.963 -16.152 0.309 1.00 17.90 H new ATOM 0 HD12 LEU A 14 27.539 -14.924 -0.597 1.00 17.90 H new ATOM 0 HD13 LEU A 14 26.883 -16.346 -0.833 1.00 17.90 H new ATOM 0 HD21 LEU A 14 29.362 -17.958 -0.621 1.00 20.12 H new ATOM 0 HD22 LEU A 14 28.348 -18.215 -1.810 1.00 20.12 H new ATOM 0 HD23 LEU A 14 29.869 -17.904 -2.120 1.00 20.12 H new ATOM 96 N SER A 15 28.114 -16.583 -6.140 1.00 23.65 N ATOM 97 CA SER A 15 27.296 -16.266 -7.307 1.00 27.08 C ATOM 98 C SER A 15 26.201 -17.319 -7.406 1.00 26.35 C ATOM 99 O SER A 15 26.157 -18.268 -6.618 1.00 23.56 O ATOM 100 CB SER A 15 28.118 -16.213 -8.590 1.00 23.19 C ATOM 101 OG SER A 15 28.856 -17.407 -8.736 1.00 24.36 O ATOM 0 H SER A 15 28.101 -17.416 -5.926 1.00 23.65 H new ATOM 0 HA SER A 15 26.912 -15.382 -7.199 1.00 27.08 H new ATOM 0 HB2 SER A 15 27.533 -16.089 -9.354 1.00 23.19 H new ATOM 0 HB3 SER A 15 28.719 -15.452 -8.567 1.00 23.19 H new ATOM 0 HG SER A 15 29.306 -17.374 -9.445 1.00 24.36 H new ATOM 102 N THR A 16 25.305 -17.138 -8.371 1.00 25.66 N ATOM 103 CA THR A 16 24.194 -18.066 -8.535 1.00 24.20 C ATOM 104 C THR A 16 24.707 -19.491 -8.692 1.00 24.51 C ATOM 105 O THR A 16 25.482 -19.787 -9.607 1.00 27.73 O ATOM 106 CB THR A 16 23.355 -17.663 -9.750 1.00 26.61 C ATOM 107 OG1 THR A 16 22.946 -16.301 -9.601 1.00 27.35 O ATOM 108 CG2 THR A 16 22.114 -18.550 -9.872 1.00 21.35 C ATOM 0 H THR A 16 25.322 -16.490 -8.936 1.00 25.66 H new ATOM 0 HA THR A 16 23.637 -18.030 -7.742 1.00 24.20 H new ATOM 0 HB THR A 16 23.892 -17.770 -10.551 1.00 26.61 H new ATOM 0 HG1 THR A 16 22.867 -16.120 -8.785 1.00 27.35 H new ATOM 0 HG21 THR A 16 21.597 -18.279 -10.647 1.00 21.35 H new ATOM 0 HG22 THR A 16 22.386 -19.475 -9.973 1.00 21.35 H new ATOM 0 HG23 THR A 16 21.571 -18.459 -9.073 1.00 21.35 H new ATOM 109 N GLY A 17 24.273 -20.373 -7.791 1.00 19.19 N ATOM 110 CA GLY A 17 24.712 -21.751 -7.775 1.00 20.60 C ATOM 111 C GLY A 17 25.689 -22.088 -6.671 1.00 22.83 C ATOM 112 O GLY A 17 25.933 -23.276 -6.422 1.00 24.13 O ATOM 0 H GLY A 17 23.711 -20.179 -7.170 1.00 19.19 H new ATOM 0 HA2 GLY A 17 23.935 -22.325 -7.689 1.00 20.60 H new ATOM 0 HA3 GLY A 17 25.123 -21.957 -8.629 1.00 20.60 H new ATOM 113 N SER A 18 26.265 -21.083 -6.021 1.00 20.71 N ATOM 114 CA SER A 18 27.126 -21.316 -4.875 1.00 18.92 C ATOM 115 C SER A 18 26.320 -21.857 -3.704 1.00 20.30 C ATOM 116 O SER A 18 25.159 -21.492 -3.489 1.00 19.54 O ATOM 117 CB SER A 18 27.809 -20.020 -4.445 1.00 18.52 C ATOM 118 OG SER A 18 28.612 -19.498 -5.472 1.00 19.19 O ATOM 0 H SER A 18 26.168 -20.255 -6.231 1.00 20.71 H new ATOM 0 HA SER A 18 27.797 -21.966 -5.136 1.00 18.92 H new ATOM 0 HB2 SER A 18 27.138 -19.367 -4.194 1.00 18.52 H new ATOM 0 HB3 SER A 18 28.353 -20.185 -3.659 1.00 18.52 H new ATOM 0 HG SER A 18 29.420 -19.546 -5.248 1.00 19.19 H new ATOM 119 N THR A 19 26.959 -22.709 -2.922 1.00 20.53 N ATOM 120 CA THR A 19 26.358 -23.226 -1.703 1.00 21.18 C ATOM 121 C THR A 19 27.353 -23.083 -0.555 1.00 20.99 C ATOM 122 O THR A 19 28.551 -23.331 -0.735 1.00 21.55 O ATOM 123 CB THR A 19 25.943 -24.696 -1.888 1.00 21.98 C ATOM 124 OG1 THR A 19 25.088 -24.809 -3.030 1.00 25.17 O ATOM 125 CG2 THR A 19 25.187 -25.186 -0.681 1.00 22.23 C ATOM 0 H THR A 19 27.751 -23.004 -3.080 1.00 20.53 H new ATOM 0 HA THR A 19 25.558 -22.717 -1.496 1.00 21.18 H new ATOM 0 HB THR A 19 26.745 -25.229 -2.007 1.00 21.98 H new ATOM 0 HG1 THR A 19 24.862 -25.611 -3.133 1.00 25.17 H new ATOM 0 HG21 THR A 19 24.933 -26.113 -0.813 1.00 22.23 H new ATOM 0 HG22 THR A 19 25.751 -25.114 0.105 1.00 22.23 H new ATOM 0 HG23 THR A 19 24.390 -24.647 -0.557 1.00 22.23 H new ATOM 126 N VAL A 20 26.863 -22.664 0.616 1.00 20.39 N ATOM 127 CA VAL A 20 27.655 -22.603 1.847 1.00 18.25 C ATOM 128 C VAL A 20 27.132 -23.668 2.800 1.00 18.87 C ATOM 129 O VAL A 20 25.961 -23.640 3.200 1.00 17.66 O ATOM 130 CB VAL A 20 27.606 -21.217 2.507 1.00 16.85 C ATOM 131 CG1 VAL A 20 28.466 -21.200 3.784 1.00 16.30 C ATOM 132 CG2 VAL A 20 28.059 -20.160 1.530 1.00 17.67 C ATOM 0 H VAL A 20 26.050 -22.404 0.717 1.00 20.39 H new ATOM 0 HA VAL A 20 28.586 -22.766 1.628 1.00 18.25 H new ATOM 0 HB VAL A 20 26.691 -21.021 2.762 1.00 16.85 H new ATOM 0 HG11 VAL A 20 28.426 -20.320 4.190 1.00 16.30 H new ATOM 0 HG12 VAL A 20 28.129 -21.860 4.410 1.00 16.30 H new ATOM 0 HG13 VAL A 20 29.386 -21.410 3.558 1.00 16.30 H new ATOM 0 HG21 VAL A 20 28.024 -19.289 1.956 1.00 17.67 H new ATOM 0 HG22 VAL A 20 28.969 -20.347 1.250 1.00 17.67 H new ATOM 0 HG23 VAL A 20 27.475 -20.164 0.755 1.00 17.67 H new ATOM 133 N THR A 21 27.999 -24.605 3.160 1.00 16.88 N ATOM 134 CA THR A 21 27.631 -25.708 4.025 1.00 18.79 C ATOM 135 C THR A 21 28.302 -25.517 5.366 1.00 20.40 C ATOM 136 O THR A 21 29.504 -25.238 5.433 1.00 20.02 O ATOM 137 CB THR A 21 28.043 -27.044 3.428 1.00 21.50 C ATOM 138 OG1 THR A 21 27.613 -27.087 2.069 1.00 24.64 O ATOM 139 CG2 THR A 21 27.381 -28.179 4.192 1.00 24.21 C ATOM 0 H THR A 21 28.821 -24.616 2.907 1.00 16.88 H new ATOM 0 HA THR A 21 26.666 -25.717 4.127 1.00 18.79 H new ATOM 0 HB THR A 21 29.007 -27.141 3.483 1.00 21.50 H new ATOM 0 HG1 THR A 21 28.199 -26.739 1.578 1.00 24.64 H new ATOM 0 HG21 THR A 21 27.648 -29.028 3.806 1.00 24.21 H new ATOM 0 HG22 THR A 21 27.655 -28.146 5.122 1.00 24.21 H new ATOM 0 HG23 THR A 21 26.417 -28.088 4.136 1.00 24.21 H new ATOM 140 N ILE A 22 27.523 -25.672 6.426 1.00 20.33 N ATOM 141 CA ILE A 22 27.970 -25.392 7.780 1.00 17.35 C ATOM 142 C ILE A 22 27.447 -26.512 8.655 1.00 22.43 C ATOM 143 O ILE A 22 26.230 -26.704 8.747 1.00 25.21 O ATOM 144 CB ILE A 22 27.440 -24.043 8.280 1.00 20.62 C ATOM 145 CG1 ILE A 22 28.064 -22.900 7.486 1.00 19.59 C ATOM 146 CG2 ILE A 22 27.715 -23.877 9.761 1.00 20.35 C ATOM 147 CD1 ILE A 22 27.257 -21.622 7.564 1.00 18.23 C ATOM 0 H ILE A 22 26.709 -25.946 6.378 1.00 20.33 H new ATOM 0 HA ILE A 22 28.938 -25.341 7.807 1.00 17.35 H new ATOM 0 HB ILE A 22 26.480 -24.022 8.146 1.00 20.62 H new ATOM 0 HG12 ILE A 22 28.960 -22.733 7.818 1.00 19.59 H new ATOM 0 HG13 ILE A 22 28.151 -23.167 6.557 1.00 19.59 H new ATOM 0 HG21 ILE A 22 27.374 -23.020 10.060 1.00 20.35 H new ATOM 0 HG22 ILE A 22 27.277 -24.588 10.253 1.00 20.35 H new ATOM 0 HG23 ILE A 22 28.671 -23.917 9.919 1.00 20.35 H new ATOM 0 HD11 ILE A 22 27.695 -20.930 7.044 1.00 18.23 H new ATOM 0 HD12 ILE A 22 26.368 -21.778 7.209 1.00 18.23 H new ATOM 0 HD13 ILE A 22 27.190 -21.338 8.489 1.00 18.23 H new ATOM 148 N LYS A 23 28.347 -27.259 9.283 1.00 22.20 N ATOM 149 CA LYS A 23 27.958 -28.309 10.213 1.00 22.66 C ATOM 150 C LYS A 23 28.513 -27.952 11.584 1.00 23.61 C ATOM 151 O LYS A 23 29.691 -27.601 11.709 1.00 21.28 O ATOM 152 CB LYS A 23 28.455 -29.687 9.738 1.00 24.25 C ATOM 153 CG LYS A 23 28.159 -30.845 10.699 1.00 32.29 C ATOM 154 CD LYS A 23 27.938 -32.187 9.950 1.00 37.90 C ATOM 155 CE LYS A 23 28.715 -32.309 8.610 1.00 47.43 C ATOM 156 NZ LYS A 23 30.203 -32.088 8.726 1.00 53.05 N ATOM 0 H LYS A 23 29.197 -27.172 9.182 1.00 22.20 H new ATOM 0 HA LYS A 23 26.991 -28.371 10.260 1.00 22.66 H new ATOM 0 HB2 LYS A 23 28.049 -29.884 8.879 1.00 24.25 H new ATOM 0 HB3 LYS A 23 29.413 -29.639 9.595 1.00 24.25 H new ATOM 0 HG2 LYS A 23 28.896 -30.942 11.323 1.00 32.29 H new ATOM 0 HG3 LYS A 23 27.370 -30.635 11.223 1.00 32.29 H new ATOM 0 HD2 LYS A 23 28.202 -32.917 10.532 1.00 37.90 H new ATOM 0 HD3 LYS A 23 26.990 -32.294 9.773 1.00 37.90 H new ATOM 0 HE2 LYS A 23 28.559 -33.191 8.238 1.00 47.43 H new ATOM 0 HE3 LYS A 23 28.352 -31.667 7.980 1.00 47.43 H new ATOM 0 HZ1 LYS A 23 30.493 -31.641 8.013 1.00 53.05 H new ATOM 0 HZ2 LYS A 23 30.377 -31.618 9.462 1.00 53.05 H new ATOM 0 HZ3 LYS A 23 30.617 -32.874 8.772 1.00 53.05 H new ATOM 157 N GLY A 24 27.655 -27.995 12.596 1.00 20.70 N ATOM 158 CA GLY A 24 28.043 -27.554 13.913 1.00 20.44 C ATOM 159 C GLY A 24 27.036 -27.984 14.963 1.00 23.16 C ATOM 160 O GLY A 24 26.073 -28.707 14.683 1.00 24.93 O ATOM 0 H GLY A 24 26.845 -28.277 12.534 1.00 20.70 H new ATOM 0 HA2 GLY A 24 28.916 -27.916 14.133 1.00 20.44 H new ATOM 0 HA3 GLY A 24 28.127 -26.588 13.920 1.00 20.44 H new ATOM 161 N ARG A 25 27.273 -27.519 16.188 1.00 20.55 N ATOM 162 CA ARG A 25 26.465 -27.885 17.327 1.00 21.94 C ATOM 163 C ARG A 25 26.359 -26.695 18.270 1.00 21.55 C ATOM 164 O ARG A 25 27.353 -25.982 18.479 1.00 18.68 O ATOM 165 CB ARG A 25 27.074 -29.092 18.062 1.00 24.53 C ATOM 166 CG ARG A 25 26.301 -29.540 19.296 1.00 29.94 C ATOM 167 CD ARG A 25 27.056 -30.625 20.059 1.00 31.40 C ATOM 168 NE ARG A 25 27.123 -31.862 19.286 1.00 42.66 N ATOM 169 CZ ARG A 25 26.331 -32.914 19.478 1.00 41.94 C ATOM 170 NH1 ARG A 25 25.407 -32.893 20.440 1.00 33.44 N ATOM 171 NH2 ARG A 25 26.471 -33.987 18.703 1.00 44.98 N ATOM 0 H ARG A 25 27.915 -26.978 16.374 1.00 20.55 H new ATOM 0 HA ARG A 25 25.580 -28.136 17.019 1.00 21.94 H new ATOM 0 HB2 ARG A 25 27.132 -29.837 17.443 1.00 24.53 H new ATOM 0 HB3 ARG A 25 27.981 -28.871 18.326 1.00 24.53 H new ATOM 0 HG2 ARG A 25 26.148 -28.779 19.878 1.00 29.94 H new ATOM 0 HG3 ARG A 25 25.430 -29.874 19.031 1.00 29.94 H new ATOM 0 HD2 ARG A 25 27.954 -30.317 20.261 1.00 31.40 H new ATOM 0 HD3 ARG A 25 26.616 -30.794 20.907 1.00 31.40 H new ATOM 0 HE ARG A 25 27.715 -31.914 18.664 1.00 42.66 H new ATOM 0 HH11 ARG A 25 25.321 -32.198 20.939 1.00 33.44 H new ATOM 0 HH12 ARG A 25 24.897 -33.575 20.561 1.00 33.44 H new ATOM 0 HH21 ARG A 25 27.069 -33.996 18.085 1.00 44.98 H new ATOM 0 HH22 ARG A 25 25.963 -34.671 18.820 1.00 44.98 H new ATOM 172 N PRO A 26 25.175 -26.448 18.840 1.00 22.46 N ATOM 173 CA PRO A 26 25.043 -25.380 19.839 1.00 21.14 C ATOM 174 C PRO A 26 25.839 -25.690 21.101 1.00 20.28 C ATOM 175 O PRO A 26 26.010 -26.847 21.497 1.00 18.24 O ATOM 176 CB PRO A 26 23.536 -25.346 20.132 1.00 21.27 C ATOM 177 CG PRO A 26 22.891 -26.055 18.987 1.00 21.37 C ATOM 178 CD PRO A 26 23.883 -27.099 18.558 1.00 22.49 C ATOM 0 HA PRO A 26 25.388 -24.531 19.522 1.00 21.14 H new ATOM 0 HB2 PRO A 26 23.334 -25.785 20.973 1.00 21.27 H new ATOM 0 HB3 PRO A 26 23.215 -24.434 20.204 1.00 21.27 H new ATOM 0 HG2 PRO A 26 22.051 -26.459 19.254 1.00 21.37 H new ATOM 0 HG3 PRO A 26 22.693 -25.442 18.262 1.00 21.37 H new ATOM 0 HD2 PRO A 26 23.778 -27.924 19.058 1.00 22.49 H new ATOM 0 HD3 PRO A 26 23.789 -27.322 17.619 1.00 22.49 H new ATOM 179 N LEU A 27 26.332 -24.631 21.736 1.00 19.51 N ATOM 180 CA LEU A 27 27.163 -24.788 22.916 1.00 17.16 C ATOM 181 C LEU A 27 26.356 -24.861 24.200 1.00 21.57 C ATOM 182 O LEU A 27 26.951 -24.970 25.276 1.00 21.50 O ATOM 183 CB LEU A 27 28.178 -23.648 23.007 1.00 17.11 C ATOM 184 CG LEU A 27 29.281 -23.660 21.954 1.00 17.85 C ATOM 185 CD1 LEU A 27 30.163 -22.434 22.100 1.00 19.66 C ATOM 186 CD2 LEU A 27 30.110 -24.926 22.038 1.00 18.82 C ATOM 0 H LEU A 27 26.196 -23.816 21.498 1.00 19.51 H new ATOM 0 HA LEU A 27 27.626 -25.635 22.819 1.00 17.16 H new ATOM 0 HB2 LEU A 27 27.701 -22.806 22.942 1.00 17.11 H new ATOM 0 HB3 LEU A 27 28.591 -23.674 23.884 1.00 17.11 H new ATOM 0 HG LEU A 27 28.861 -23.640 21.080 1.00 17.85 H new ATOM 0 HD11 LEU A 27 30.860 -22.454 21.425 1.00 19.66 H new ATOM 0 HD12 LEU A 27 29.627 -21.634 21.987 1.00 19.66 H new ATOM 0 HD13 LEU A 27 30.568 -22.429 22.982 1.00 19.66 H new ATOM 0 HD21 LEU A 27 30.802 -24.906 21.358 1.00 18.82 H new ATOM 0 HD22 LEU A 27 30.520 -24.987 22.915 1.00 18.82 H new ATOM 0 HD23 LEU A 27 29.539 -25.697 21.895 1.00 18.82 H new ATOM 187 N ALA A 28 25.026 -24.816 24.123 1.00 19.13 N ATOM 188 CA ALA A 28 24.191 -24.862 25.320 1.00 22.12 C ATOM 189 C ALA A 28 22.826 -25.405 24.940 1.00 21.23 C ATOM 190 O ALA A 28 22.404 -25.316 23.786 1.00 18.80 O ATOM 191 CB ALA A 28 24.076 -23.487 25.960 1.00 30.00 C ATOM 0 H ALA A 28 24.588 -24.759 23.385 1.00 19.13 H new ATOM 0 HA ALA A 28 24.599 -25.447 25.977 1.00 22.12 H new ATOM 0 HB1 ALA A 28 23.518 -23.544 26.751 1.00 30.00 H new ATOM 0 HB2 ALA A 28 24.959 -23.171 26.209 1.00 30.00 H new ATOM 0 HB3 ALA A 28 23.678 -22.868 25.328 1.00 30.00 H new ATOM 192 N CYS A 29 22.135 -25.980 25.921 1.00 18.09 N ATOM 193 CA CYS A 29 20.764 -26.434 25.738 1.00 21.93 C ATOM 194 C CYS A 29 19.869 -25.256 25.358 1.00 21.30 C ATOM 195 O CYS A 29 20.178 -24.097 25.646 1.00 18.14 O ATOM 196 CB CYS A 29 20.259 -27.096 27.021 1.00 23.73 C ATOM 197 SG CYS A 29 20.229 -25.974 28.420 1.00 23.96 S ATOM 0 H CYS A 29 22.449 -26.117 26.710 1.00 18.09 H new ATOM 0 HA CYS A 29 20.738 -27.086 25.020 1.00 21.93 H new ATOM 0 HB2 CYS A 29 19.365 -27.442 26.871 1.00 23.73 H new ATOM 0 HB3 CYS A 29 20.825 -27.855 27.233 1.00 23.73 H new ATOM 0 HG CYS A 29 19.823 -26.553 29.389 1.00 23.96 H new ATOM 198 N PHE A 30 18.748 -25.558 24.692 1.00 22.56 N ATOM 199 CA PHE A 30 17.883 -24.489 24.190 1.00 21.67 C ATOM 200 C PHE A 30 17.336 -23.622 25.315 1.00 22.21 C ATOM 201 O PHE A 30 17.082 -22.432 25.106 1.00 21.17 O ATOM 202 CB PHE A 30 16.723 -25.063 23.381 1.00 22.48 C ATOM 203 CG PHE A 30 17.082 -25.419 21.981 1.00 22.05 C ATOM 204 CD1 PHE A 30 18.406 -25.580 21.608 1.00 21.98 C ATOM 205 CD2 PHE A 30 16.093 -25.595 21.030 1.00 23.87 C ATOM 206 CE1 PHE A 30 18.741 -25.915 20.295 1.00 24.97 C ATOM 207 CE2 PHE A 30 16.419 -25.926 19.727 1.00 23.65 C ATOM 208 CZ PHE A 30 17.746 -26.088 19.361 1.00 20.86 C ATOM 0 H PHE A 30 18.477 -26.357 24.524 1.00 22.56 H new ATOM 0 HA PHE A 30 18.432 -23.932 23.617 1.00 21.67 H new ATOM 0 HB2 PHE A 30 16.387 -25.854 23.831 1.00 22.48 H new ATOM 0 HB3 PHE A 30 16.000 -24.417 23.366 1.00 22.48 H new ATOM 0 HD1 PHE A 30 19.079 -25.464 22.239 1.00 21.98 H new ATOM 0 HD2 PHE A 30 15.200 -25.490 21.269 1.00 23.87 H new ATOM 0 HE1 PHE A 30 19.633 -26.021 20.053 1.00 24.97 H new ATOM 0 HE2 PHE A 30 15.746 -26.040 19.095 1.00 23.65 H new ATOM 0 HZ PHE A 30 17.963 -26.313 18.485 1.00 20.86 H new ATOM 209 N LEU A 31 17.136 -24.195 26.505 1.00 19.56 N ATOM 210 CA LEU A 31 16.635 -23.404 27.623 1.00 20.72 C ATOM 211 C LEU A 31 17.511 -22.183 27.890 1.00 19.73 C ATOM 212 O LEU A 31 17.000 -21.126 28.283 1.00 20.18 O ATOM 213 CB LEU A 31 16.531 -24.280 28.870 1.00 18.76 C ATOM 214 CG LEU A 31 15.796 -23.622 30.027 1.00 20.13 C ATOM 215 CD1 LEU A 31 14.349 -23.408 29.653 1.00 19.02 C ATOM 216 CD2 LEU A 31 15.905 -24.480 31.281 1.00 23.04 C ATOM 0 H LEU A 31 17.282 -25.024 26.680 1.00 19.56 H new ATOM 0 HA LEU A 31 15.753 -23.076 27.390 1.00 20.72 H new ATOM 0 HB2 LEU A 31 16.077 -25.105 28.638 1.00 18.76 H new ATOM 0 HB3 LEU A 31 17.425 -24.520 29.161 1.00 18.76 H new ATOM 0 HG LEU A 31 16.202 -22.761 30.214 1.00 20.13 H new ATOM 0 HD11 LEU A 31 13.882 -22.988 30.392 1.00 19.02 H new ATOM 0 HD12 LEU A 31 14.298 -22.835 28.872 1.00 19.02 H new ATOM 0 HD13 LEU A 31 13.936 -24.263 29.454 1.00 19.02 H new ATOM 0 HD21 LEU A 31 15.432 -24.049 32.010 1.00 23.04 H new ATOM 0 HD22 LEU A 31 15.513 -25.351 31.112 1.00 23.04 H new ATOM 0 HD23 LEU A 31 16.839 -24.587 31.520 1.00 23.04 H new ATOM 217 N ASN A 32 18.818 -22.295 27.660 1.00 18.40 N ATOM 218 CA ASN A 32 19.743 -21.185 27.854 1.00 19.10 C ATOM 219 C ASN A 32 19.873 -20.284 26.630 1.00 19.17 C ATOM 220 O ASN A 32 20.663 -19.332 26.665 1.00 16.95 O ATOM 221 CB ASN A 32 21.115 -21.717 28.260 1.00 17.07 C ATOM 222 CG ASN A 32 21.092 -22.336 29.635 1.00 22.40 C ATOM 223 OD1 ASN A 32 20.093 -22.243 30.342 1.00 19.96 O ATOM 224 ND2 ASN A 32 22.189 -22.960 30.029 1.00 22.54 N ATOM 0 H ASN A 32 19.192 -23.019 27.386 1.00 18.40 H new ATOM 0 HA ASN A 32 19.373 -20.635 28.563 1.00 19.10 H new ATOM 0 HB2 ASN A 32 21.410 -22.377 27.613 1.00 17.07 H new ATOM 0 HB3 ASN A 32 21.761 -20.993 28.242 1.00 17.07 H new ATOM 0 HD21 ASN A 32 22.222 -23.321 30.809 1.00 22.54 H new ATOM 0 HD22 ASN A 32 22.870 -23.005 29.505 1.00 22.54 H new ATOM 225 N GLN A 33 19.131 -20.568 25.554 1.00 19.80 N ATOM 226 CA GLN A 33 19.018 -19.713 24.377 1.00 21.92 C ATOM 227 C GLN A 33 20.368 -19.377 23.762 1.00 19.54 C ATOM 228 O GLN A 33 20.736 -18.203 23.664 1.00 17.36 O ATOM 229 CB GLN A 33 18.260 -18.443 24.728 1.00 23.33 C ATOM 230 CG GLN A 33 16.923 -18.747 25.367 1.00 27.96 C ATOM 231 CD GLN A 33 16.050 -17.528 25.527 1.00 37.60 C ATOM 232 OE1 GLN A 33 16.538 -16.436 25.805 1.00 43.60 O ATOM 233 NE2 GLN A 33 14.744 -17.705 25.332 1.00 45.47 N ATOM 0 H GLN A 33 18.666 -21.289 25.492 1.00 19.80 H new ATOM 0 HA GLN A 33 18.524 -20.211 23.707 1.00 21.92 H new ATOM 0 HB2 GLN A 33 18.793 -17.905 25.334 1.00 23.33 H new ATOM 0 HB3 GLN A 33 18.123 -17.916 23.926 1.00 23.33 H new ATOM 0 HG2 GLN A 33 16.455 -19.404 24.828 1.00 27.96 H new ATOM 0 HG3 GLN A 33 17.071 -19.148 26.238 1.00 27.96 H new ATOM 0 HE21 GLN A 33 14.440 -18.486 25.139 1.00 45.47 H new ATOM 0 HE22 GLN A 33 14.205 -17.038 25.399 1.00 45.47 H new ATOM 234 N PRO A 34 21.128 -20.373 23.324 1.00 18.57 N ATOM 235 CA PRO A 34 22.354 -20.073 22.583 1.00 19.86 C ATOM 236 C PRO A 34 21.998 -19.447 21.242 1.00 17.98 C ATOM 237 O PRO A 34 20.899 -19.627 20.720 1.00 21.72 O ATOM 238 CB PRO A 34 23.010 -21.449 22.425 1.00 17.64 C ATOM 239 CG PRO A 34 21.830 -22.382 22.321 1.00 17.81 C ATOM 240 CD PRO A 34 20.756 -21.800 23.222 1.00 17.96 C ATOM 0 HA PRO A 34 22.944 -19.439 23.021 1.00 19.86 H new ATOM 0 HB2 PRO A 34 23.570 -21.490 21.634 1.00 17.64 H new ATOM 0 HB3 PRO A 34 23.574 -21.667 23.184 1.00 17.64 H new ATOM 0 HG2 PRO A 34 21.518 -22.446 21.405 1.00 17.81 H new ATOM 0 HG3 PRO A 34 22.071 -23.279 22.602 1.00 17.81 H new ATOM 0 HD2 PRO A 34 19.871 -21.912 22.841 1.00 17.96 H new ATOM 0 HD3 PRO A 34 20.747 -22.230 24.091 1.00 17.96 H new ATOM 241 N TYR A 35 22.922 -18.663 20.709 1.00 15.99 N ATOM 242 CA TYR A 35 22.734 -18.039 19.411 1.00 18.77 C ATOM 243 C TYR A 35 23.670 -18.669 18.389 1.00 19.97 C ATOM 244 O TYR A 35 24.706 -19.246 18.739 1.00 19.30 O ATOM 245 CB TYR A 35 23.004 -16.532 19.460 1.00 21.85 C ATOM 246 CG TYR A 35 21.927 -15.703 20.113 1.00 24.79 C ATOM 247 CD1 TYR A 35 21.975 -15.426 21.461 1.00 25.35 C ATOM 248 CD2 TYR A 35 20.877 -15.169 19.366 1.00 28.56 C ATOM 249 CE1 TYR A 35 21.001 -14.664 22.073 1.00 29.50 C ATOM 250 CE2 TYR A 35 19.896 -14.396 19.962 1.00 30.97 C ATOM 251 CZ TYR A 35 19.967 -14.154 21.323 1.00 33.70 C ATOM 252 OH TYR A 35 19.007 -13.393 21.945 1.00 43.45 O ATOM 0 H TYR A 35 23.672 -18.478 21.087 1.00 15.99 H new ATOM 0 HA TYR A 35 21.809 -18.180 19.155 1.00 18.77 H new ATOM 0 HB2 TYR A 35 23.837 -16.383 19.934 1.00 21.85 H new ATOM 0 HB3 TYR A 35 23.132 -16.212 18.553 1.00 21.85 H new ATOM 0 HD1 TYR A 35 22.679 -15.759 21.970 1.00 25.35 H new ATOM 0 HD2 TYR A 35 20.835 -15.335 18.452 1.00 28.56 H new ATOM 0 HE1 TYR A 35 21.043 -14.496 22.987 1.00 29.50 H new ATOM 0 HE2 TYR A 35 19.200 -14.044 19.456 1.00 30.97 H new ATOM 0 HH TYR A 35 18.437 -13.144 21.380 1.00 43.45 H new ATOM 253 N LEU A 36 23.291 -18.538 17.110 1.00 20.00 N ATOM 254 CA LEU A 36 24.150 -18.824 15.965 1.00 16.53 C ATOM 255 C LEU A 36 23.973 -17.690 14.976 1.00 17.72 C ATOM 256 O LEU A 36 22.841 -17.282 14.697 1.00 19.01 O ATOM 257 CB LEU A 36 23.813 -20.157 15.282 1.00 15.06 C ATOM 258 CG LEU A 36 24.206 -20.264 13.805 1.00 16.04 C ATOM 259 CD1 LEU A 36 25.716 -20.345 13.665 1.00 16.47 C ATOM 260 CD2 LEU A 36 23.546 -21.462 13.149 1.00 15.11 C ATOM 0 H LEU A 36 22.505 -18.273 16.885 1.00 20.00 H new ATOM 0 HA LEU A 36 25.066 -18.899 16.275 1.00 16.53 H new ATOM 0 HB2 LEU A 36 24.252 -20.871 15.769 1.00 15.06 H new ATOM 0 HB3 LEU A 36 22.858 -20.308 15.357 1.00 15.06 H new ATOM 0 HG LEU A 36 23.893 -19.466 13.351 1.00 16.04 H new ATOM 0 HD11 LEU A 36 25.951 -20.412 12.726 1.00 16.47 H new ATOM 0 HD12 LEU A 36 26.119 -19.548 14.043 1.00 16.47 H new ATOM 0 HD13 LEU A 36 26.043 -21.127 14.137 1.00 16.47 H new ATOM 0 HD21 LEU A 36 23.810 -21.507 12.217 1.00 15.11 H new ATOM 0 HD22 LEU A 36 23.823 -22.273 13.603 1.00 15.11 H new ATOM 0 HD23 LEU A 36 22.582 -21.373 13.207 1.00 15.11 H new ATOM 261 N GLN A 37 25.081 -17.184 14.440 1.00 16.95 N ATOM 262 CA GLN A 37 25.019 -16.098 13.476 1.00 17.00 C ATOM 263 C GLN A 37 25.930 -16.381 12.298 1.00 16.95 C ATOM 264 O GLN A 37 27.100 -16.731 12.487 1.00 16.54 O ATOM 265 CB GLN A 37 25.408 -14.771 14.110 1.00 17.85 C ATOM 266 CG GLN A 37 25.105 -13.593 13.231 1.00 17.00 C ATOM 267 CD GLN A 37 24.974 -12.335 14.039 1.00 17.55 C ATOM 268 OE1 GLN A 37 24.343 -12.332 15.082 1.00 18.71 O ATOM 269 NE2 GLN A 37 25.579 -11.268 13.575 1.00 20.75 N ATOM 0 H GLN A 37 25.876 -17.457 14.623 1.00 16.95 H new ATOM 0 HA GLN A 37 24.102 -16.035 13.167 1.00 17.00 H new ATOM 0 HB2 GLN A 37 24.937 -14.670 14.952 1.00 17.85 H new ATOM 0 HB3 GLN A 37 26.356 -14.781 14.314 1.00 17.85 H new ATOM 0 HG2 GLN A 37 25.810 -13.487 12.573 1.00 17.00 H new ATOM 0 HG3 GLN A 37 24.283 -13.754 12.742 1.00 17.00 H new ATOM 0 HE21 GLN A 37 26.015 -11.309 12.835 1.00 20.75 H new ATOM 0 HE22 GLN A 37 25.540 -10.528 14.011 1.00 20.75 H new ATOM 270 N VAL A 38 25.381 -16.216 11.091 1.00 16.36 N ATOM 271 CA VAL A 38 26.103 -16.317 9.825 1.00 16.88 C ATOM 272 C VAL A 38 25.941 -14.989 9.096 1.00 17.39 C ATOM 273 O VAL A 38 24.811 -14.559 8.822 1.00 14.30 O ATOM 274 CB VAL A 38 25.585 -17.475 8.956 1.00 15.78 C ATOM 275 CG1 VAL A 38 26.288 -17.494 7.589 1.00 12.76 C ATOM 276 CG2 VAL A 38 25.763 -18.790 9.675 1.00 15.07 C ATOM 0 H VAL A 38 24.547 -16.036 10.987 1.00 16.36 H new ATOM 0 HA VAL A 38 27.038 -16.504 10.002 1.00 16.88 H new ATOM 0 HB VAL A 38 24.638 -17.339 8.798 1.00 15.78 H new ATOM 0 HG11 VAL A 38 25.946 -18.231 7.059 1.00 12.76 H new ATOM 0 HG12 VAL A 38 26.119 -16.658 7.126 1.00 12.76 H new ATOM 0 HG13 VAL A 38 27.243 -17.605 7.718 1.00 12.76 H new ATOM 0 HG21 VAL A 38 25.433 -19.511 9.117 1.00 15.07 H new ATOM 0 HG22 VAL A 38 26.704 -18.932 9.863 1.00 15.07 H new ATOM 0 HG23 VAL A 38 25.267 -18.773 10.508 1.00 15.07 H new ATOM 277 N ASP A 39 27.065 -14.346 8.778 1.00 14.79 N ATOM 278 CA ASP A 39 27.072 -13.056 8.109 1.00 14.76 C ATOM 279 C ASP A 39 27.885 -13.164 6.830 1.00 17.95 C ATOM 280 O ASP A 39 29.045 -13.588 6.862 1.00 16.04 O ATOM 281 CB ASP A 39 27.665 -11.968 8.997 1.00 16.77 C ATOM 282 CG ASP A 39 26.838 -11.715 10.242 1.00 16.70 C ATOM 283 OD1 ASP A 39 25.611 -11.523 10.133 1.00 16.90 O ATOM 284 OD2 ASP A 39 27.419 -11.713 11.338 1.00 18.98 O ATOM 0 H ASP A 39 27.850 -14.654 8.948 1.00 14.79 H new ATOM 0 HA ASP A 39 26.155 -12.812 7.908 1.00 14.76 H new ATOM 0 HB2 ASP A 39 28.564 -12.222 9.257 1.00 16.77 H new ATOM 0 HB3 ASP A 39 27.738 -11.145 8.489 1.00 16.77 H new ATOM 285 N PHE A 40 27.271 -12.775 5.715 1.00 15.22 N ATOM 286 CA PHE A 40 27.941 -12.641 4.427 1.00 16.35 C ATOM 287 C PHE A 40 28.367 -11.178 4.265 1.00 17.33 C ATOM 288 O PHE A 40 27.522 -10.298 4.046 1.00 16.98 O ATOM 289 CB PHE A 40 27.009 -13.070 3.300 1.00 14.95 C ATOM 290 CG PHE A 40 26.649 -14.542 3.301 1.00 16.51 C ATOM 291 CD1 PHE A 40 27.169 -15.420 4.236 1.00 16.10 C ATOM 292 CD2 PHE A 40 25.792 -15.050 2.318 1.00 17.15 C ATOM 293 CE1 PHE A 40 26.824 -16.777 4.202 1.00 16.01 C ATOM 294 CE2 PHE A 40 25.445 -16.399 2.279 1.00 14.94 C ATOM 295 CZ PHE A 40 25.961 -17.263 3.219 1.00 16.59 C ATOM 0 H PHE A 40 26.434 -12.578 5.687 1.00 15.22 H new ATOM 0 HA PHE A 40 28.723 -13.214 4.389 1.00 16.35 H new ATOM 0 HB2 PHE A 40 26.192 -12.550 3.357 1.00 14.95 H new ATOM 0 HB3 PHE A 40 27.426 -12.852 2.452 1.00 14.95 H new ATOM 0 HD1 PHE A 40 27.751 -15.107 4.891 1.00 16.10 H new ATOM 0 HD2 PHE A 40 25.446 -14.474 1.676 1.00 17.15 H new ATOM 0 HE1 PHE A 40 27.172 -17.358 4.839 1.00 16.01 H new ATOM 0 HE2 PHE A 40 24.868 -16.714 1.621 1.00 14.94 H new ATOM 0 HZ PHE A 40 25.736 -18.165 3.199 1.00 16.59 H new ATOM 296 N HIS A 41 29.673 -10.924 4.364 1.00 15.07 N ATOM 297 CA HIS A 41 30.237 -9.578 4.435 1.00 17.18 C ATOM 298 C HIS A 41 30.747 -9.113 3.077 1.00 18.62 C ATOM 299 O HIS A 41 31.193 -9.918 2.257 1.00 19.58 O ATOM 300 CB HIS A 41 31.402 -9.518 5.437 1.00 17.31 C ATOM 301 CG HIS A 41 30.978 -9.366 6.864 1.00 16.71 C ATOM 302 ND1 HIS A 41 30.736 -8.139 7.441 1.00 18.22 N ATOM 303 CD2 HIS A 41 30.756 -10.288 7.827 1.00 16.43 C ATOM 304 CE1 HIS A 41 30.377 -8.312 8.702 1.00 19.58 C ATOM 305 NE2 HIS A 41 30.379 -9.608 8.961 1.00 18.70 N ATOM 0 H HIS A 41 30.268 -11.545 4.392 1.00 15.07 H new ATOM 0 HA HIS A 41 29.521 -8.993 4.728 1.00 17.18 H new ATOM 0 HB2 HIS A 41 31.930 -10.327 5.352 1.00 17.31 H new ATOM 0 HB3 HIS A 41 31.980 -8.776 5.201 1.00 17.31 H new ATOM 0 HD2 HIS A 41 30.842 -11.210 7.739 1.00 16.43 H new ATOM 0 HE1 HIS A 41 30.160 -7.637 9.304 1.00 19.58 H new ATOM 0 HE2 HIS A 41 30.177 -9.967 9.716 1.00 18.70 H new ATOM 306 N THR A 42 30.704 -7.793 2.853 1.00 17.66 N ATOM 307 CA THR A 42 31.243 -7.239 1.616 1.00 18.74 C ATOM 308 C THR A 42 32.750 -7.029 1.669 1.00 19.88 C ATOM 309 O THR A 42 33.357 -6.809 0.623 1.00 20.94 O ATOM 310 CB THR A 42 30.587 -5.902 1.277 1.00 19.38 C ATOM 311 OG1 THR A 42 30.889 -4.954 2.310 1.00 18.69 O ATOM 312 CG2 THR A 42 29.078 -6.047 1.143 1.00 19.07 C ATOM 0 H THR A 42 30.372 -7.215 3.397 1.00 17.66 H new ATOM 0 HA THR A 42 31.045 -7.896 0.930 1.00 18.74 H new ATOM 0 HB THR A 42 30.937 -5.594 0.427 1.00 19.38 H new ATOM 0 HG1 THR A 42 31.201 -4.254 1.966 1.00 18.69 H new ATOM 0 HG21 THR A 42 28.688 -5.185 0.928 1.00 19.07 H new ATOM 0 HG22 THR A 42 28.875 -6.679 0.436 1.00 19.07 H new ATOM 0 HG23 THR A 42 28.708 -6.369 1.980 1.00 19.07 H new ATOM 313 N GLU A 43 33.364 -7.053 2.851 1.00 18.65 N ATOM 314 CA GLU A 43 34.813 -6.937 2.962 1.00 20.86 C ATOM 315 C GLU A 43 35.286 -7.872 4.065 1.00 22.16 C ATOM 316 O GLU A 43 34.481 -8.434 4.812 1.00 21.26 O ATOM 317 CB GLU A 43 35.269 -5.491 3.246 1.00 19.11 C ATOM 318 CG GLU A 43 34.853 -4.438 2.217 1.00 21.33 C ATOM 319 CD GLU A 43 35.491 -4.626 0.824 1.00 29.36 C ATOM 320 OE1 GLU A 43 36.597 -5.216 0.722 1.00 29.16 O ATOM 321 OE2 GLU A 43 34.885 -4.172 -0.177 1.00 27.24 O ATOM 0 H GLU A 43 32.955 -7.136 3.603 1.00 18.65 H new ATOM 0 HA GLU A 43 35.208 -7.185 2.112 1.00 20.86 H new ATOM 0 HB2 GLU A 43 34.921 -5.226 4.112 1.00 19.11 H new ATOM 0 HB3 GLU A 43 36.237 -5.484 3.315 1.00 19.11 H new ATOM 0 HG2 GLU A 43 33.888 -4.455 2.124 1.00 21.33 H new ATOM 0 HG3 GLU A 43 35.090 -3.560 2.554 1.00 21.33 H new ATOM 322 N MET A 44 36.610 -8.048 4.161 1.00 21.44 N ATOM 323 CA MET A 44 37.160 -8.876 5.231 1.00 22.14 C ATOM 324 C MET A 44 36.990 -8.226 6.598 1.00 23.83 C ATOM 325 O MET A 44 36.918 -8.932 7.607 1.00 21.92 O ATOM 326 CB MET A 44 38.637 -9.169 4.973 1.00 24.78 C ATOM 327 CG MET A 44 38.906 -10.078 3.773 1.00 26.44 C ATOM 328 SD MET A 44 38.139 -11.708 3.947 1.00 28.01 S ATOM 329 CE MET A 44 39.009 -12.364 5.371 1.00 27.11 C ATOM 0 H MET A 44 37.191 -7.704 3.628 1.00 21.44 H new ATOM 0 HA MET A 44 36.663 -9.709 5.235 1.00 22.14 H new ATOM 0 HB2 MET A 44 39.102 -8.329 4.838 1.00 24.78 H new ATOM 0 HB3 MET A 44 39.016 -9.579 5.766 1.00 24.78 H new ATOM 0 HG2 MET A 44 38.573 -9.652 2.968 1.00 26.44 H new ATOM 0 HG3 MET A 44 39.864 -10.185 3.661 1.00 26.44 H new ATOM 0 HE1 MET A 44 38.861 -13.321 5.428 1.00 27.11 H new ATOM 0 HE2 MET A 44 39.959 -12.189 5.279 1.00 27.11 H new ATOM 0 HE3 MET A 44 38.679 -11.937 6.177 1.00 27.11 H new ATOM 330 N LYS A 45 36.938 -6.895 6.648 1.00 21.62 N ATOM 331 CA LYS A 45 36.778 -6.180 7.909 1.00 23.20 C ATOM 332 C LYS A 45 35.437 -6.537 8.549 1.00 24.60 C ATOM 333 O LYS A 45 34.397 -6.530 7.880 1.00 21.10 O ATOM 334 CB LYS A 45 36.880 -4.666 7.666 1.00 20.41 C ATOM 0 H LYS A 45 36.994 -6.387 5.957 1.00 21.62 H new ATOM 0 HA LYS A 45 37.485 -6.444 8.518 1.00 23.20 H new ATOM 335 N GLU A 46 35.458 -6.872 9.848 1.00 23.02 N ATOM 336 CA GLU A 46 34.238 -7.379 10.479 1.00 23.97 C ATOM 337 C GLU A 46 33.165 -6.306 10.618 1.00 21.31 C ATOM 338 O GLU A 46 31.986 -6.636 10.774 1.00 18.06 O ATOM 339 CB GLU A 46 34.537 -7.994 11.857 1.00 27.06 C ATOM 340 CG GLU A 46 35.274 -7.084 12.848 1.00 30.36 C ATOM 341 CD GLU A 46 35.107 -7.532 14.312 1.00 37.44 C ATOM 342 OE1 GLU A 46 35.050 -8.759 14.576 1.00 39.64 O ATOM 343 OE2 GLU A 46 35.019 -6.653 15.200 1.00 32.20 O ATOM 0 H GLU A 46 36.145 -6.815 10.363 1.00 23.02 H new ATOM 0 HA GLU A 46 33.895 -8.069 9.890 1.00 23.97 H new ATOM 0 HB2 GLU A 46 33.698 -8.269 12.259 1.00 27.06 H new ATOM 0 HB3 GLU A 46 35.066 -8.797 11.726 1.00 27.06 H new ATOM 0 HG2 GLU A 46 36.218 -7.068 12.625 1.00 30.36 H new ATOM 0 HG3 GLU A 46 34.945 -6.176 12.753 1.00 30.36 H new ATOM 344 N GLU A 47 33.534 -5.036 10.544 1.00 19.74 N ATOM 345 CA GLU A 47 32.546 -3.972 10.596 1.00 21.95 C ATOM 346 C GLU A 47 31.997 -3.619 9.221 1.00 24.73 C ATOM 347 O GLU A 47 31.156 -2.717 9.119 1.00 23.09 O ATOM 348 CB GLU A 47 33.149 -2.736 11.273 1.00 25.21 C ATOM 349 CG GLU A 47 34.127 -1.941 10.430 1.00 27.74 C ATOM 350 CD GLU A 47 35.514 -2.574 10.353 1.00 33.15 C ATOM 351 OE1 GLU A 47 36.302 -2.146 9.477 1.00 40.65 O ATOM 352 OE2 GLU A 47 35.813 -3.500 11.146 1.00 29.05 O ATOM 0 H GLU A 47 34.348 -4.770 10.464 1.00 19.74 H new ATOM 0 HA GLU A 47 31.796 -4.294 11.120 1.00 21.95 H new ATOM 0 HB2 GLU A 47 32.425 -2.148 11.541 1.00 25.21 H new ATOM 0 HB3 GLU A 47 33.600 -3.019 12.084 1.00 25.21 H new ATOM 0 HG2 GLU A 47 33.770 -1.849 9.533 1.00 27.74 H new ATOM 0 HG3 GLU A 47 34.207 -1.046 10.796 1.00 27.74 H new ATOM 353 N SER A 48 32.445 -4.313 8.175 1.00 19.11 N ATOM 354 CA SER A 48 31.960 -4.071 6.832 1.00 19.70 C ATOM 355 C SER A 48 30.477 -4.416 6.729 1.00 20.02 C ATOM 356 O SER A 48 29.893 -5.061 7.603 1.00 18.09 O ATOM 357 CB SER A 48 32.759 -4.891 5.817 1.00 18.85 C ATOM 358 OG SER A 48 32.414 -6.264 5.884 1.00 17.29 O ATOM 0 H SER A 48 33.037 -4.934 8.231 1.00 19.11 H new ATOM 0 HA SER A 48 32.076 -3.129 6.633 1.00 19.70 H new ATOM 0 HB2 SER A 48 32.591 -4.556 4.922 1.00 18.85 H new ATOM 0 HB3 SER A 48 33.708 -4.785 5.986 1.00 18.85 H new ATOM 0 HG SER A 48 32.884 -6.643 6.468 1.00 17.29 H new ATOM 359 N ASP A 49 29.876 -3.984 5.624 1.00 19.18 N ATOM 360 CA ASP A 49 28.467 -4.231 5.375 1.00 19.15 C ATOM 361 C ASP A 49 28.188 -5.729 5.254 1.00 18.53 C ATOM 362 O ASP A 49 29.066 -6.535 4.928 1.00 16.66 O ATOM 363 CB ASP A 49 28.029 -3.504 4.105 1.00 19.69 C ATOM 364 CG ASP A 49 27.891 -2.007 4.314 1.00 23.39 C ATOM 365 OD1 ASP A 49 27.968 -1.565 5.484 1.00 22.06 O ATOM 366 OD2 ASP A 49 27.711 -1.278 3.319 1.00 23.59 O ATOM 0 H ASP A 49 30.274 -3.542 5.003 1.00 19.18 H new ATOM 0 HA ASP A 49 27.957 -3.891 6.127 1.00 19.15 H new ATOM 0 HB2 ASP A 49 28.674 -3.672 3.400 1.00 19.69 H new ATOM 0 HB3 ASP A 49 27.181 -3.866 3.804 1.00 19.69 H new ATOM 367 N ILE A 50 26.936 -6.097 5.516 1.00 15.44 N ATOM 368 CA ILE A 50 26.502 -7.489 5.532 1.00 18.14 C ATOM 369 C ILE A 50 25.388 -7.648 4.508 1.00 17.33 C ATOM 370 O ILE A 50 24.342 -6.997 4.605 1.00 16.10 O ATOM 371 CB ILE A 50 26.032 -7.930 6.929 1.00 18.52 C ATOM 372 CG1 ILE A 50 27.180 -7.800 7.936 1.00 19.05 C ATOM 373 CG2 ILE A 50 25.492 -9.363 6.883 1.00 15.11 C ATOM 374 CD1 ILE A 50 26.768 -8.059 9.390 1.00 17.48 C ATOM 0 H ILE A 50 26.308 -5.537 5.692 1.00 15.44 H new ATOM 0 HA ILE A 50 27.252 -8.060 5.305 1.00 18.14 H new ATOM 0 HB ILE A 50 25.310 -7.350 7.218 1.00 18.52 H new ATOM 0 HG12 ILE A 50 27.883 -8.423 7.693 1.00 19.05 H new ATOM 0 HG13 ILE A 50 27.556 -6.908 7.870 1.00 19.05 H new ATOM 0 HG21 ILE A 50 25.200 -9.627 7.769 1.00 15.11 H new ATOM 0 HG22 ILE A 50 24.742 -9.407 6.269 1.00 15.11 H new ATOM 0 HG23 ILE A 50 26.192 -9.963 6.581 1.00 15.11 H new ATOM 0 HD11 ILE A 50 27.541 -7.960 9.968 1.00 17.48 H new ATOM 0 HD12 ILE A 50 26.085 -7.422 9.651 1.00 17.48 H new ATOM 0 HD13 ILE A 50 26.417 -8.960 9.472 1.00 17.48 H new ATOM 375 N VAL A 51 25.618 -8.516 3.530 1.00 17.85 N ATOM 376 CA VAL A 51 24.644 -8.738 2.476 1.00 17.05 C ATOM 377 C VAL A 51 23.531 -9.640 2.972 1.00 18.05 C ATOM 378 O VAL A 51 22.358 -9.451 2.629 1.00 18.89 O ATOM 379 CB VAL A 51 25.369 -9.329 1.255 1.00 16.14 C ATOM 380 CG1 VAL A 51 24.397 -9.934 0.288 1.00 21.10 C ATOM 381 CG2 VAL A 51 26.213 -8.248 0.591 1.00 19.81 C ATOM 0 H VAL A 51 26.334 -8.987 3.460 1.00 17.85 H new ATOM 0 HA VAL A 51 24.231 -7.901 2.213 1.00 17.05 H new ATOM 0 HB VAL A 51 25.955 -10.043 1.552 1.00 16.14 H new ATOM 0 HG11 VAL A 51 24.879 -10.298 -0.471 1.00 21.10 H new ATOM 0 HG12 VAL A 51 23.902 -10.643 0.727 1.00 21.10 H new ATOM 0 HG13 VAL A 51 23.779 -9.252 -0.019 1.00 21.10 H new ATOM 0 HG21 VAL A 51 26.670 -8.621 -0.179 1.00 19.81 H new ATOM 0 HG22 VAL A 51 25.640 -7.520 0.305 1.00 19.81 H new ATOM 0 HG23 VAL A 51 26.867 -7.914 1.224 1.00 19.81 H new ATOM 382 N PHE A 52 23.885 -10.632 3.786 1.00 15.20 N ATOM 383 CA PHE A 52 22.931 -11.586 4.333 1.00 15.25 C ATOM 384 C PHE A 52 23.336 -11.854 5.770 1.00 16.99 C ATOM 385 O PHE A 52 24.424 -12.382 6.023 1.00 16.86 O ATOM 386 CB PHE A 52 22.904 -12.886 3.532 1.00 14.77 C ATOM 387 CG PHE A 52 21.923 -13.885 4.046 1.00 13.73 C ATOM 388 CD1 PHE A 52 20.655 -13.491 4.415 1.00 14.97 C ATOM 389 CD2 PHE A 52 22.270 -15.216 4.165 1.00 14.03 C ATOM 390 CE1 PHE A 52 19.746 -14.402 4.889 1.00 13.78 C ATOM 391 CE2 PHE A 52 21.364 -16.138 4.646 1.00 13.55 C ATOM 392 CZ PHE A 52 20.096 -15.728 5.002 1.00 12.64 C ATOM 0 H PHE A 52 24.696 -10.769 4.038 1.00 15.20 H new ATOM 0 HA PHE A 52 22.035 -11.217 4.286 1.00 15.25 H new ATOM 0 HB2 PHE A 52 22.693 -12.683 2.607 1.00 14.77 H new ATOM 0 HB3 PHE A 52 23.790 -13.280 3.540 1.00 14.77 H new ATOM 0 HD1 PHE A 52 20.413 -12.596 4.342 1.00 14.97 H new ATOM 0 HD2 PHE A 52 23.123 -15.494 3.918 1.00 14.03 H new ATOM 0 HE1 PHE A 52 18.893 -14.124 5.134 1.00 13.78 H new ATOM 0 HE2 PHE A 52 21.607 -17.032 4.730 1.00 13.55 H new ATOM 0 HZ PHE A 52 19.478 -16.347 5.318 1.00 12.64 H new ATOM 393 N HIS A 53 22.473 -11.459 6.700 1.00 16.90 N ATOM 394 CA HIS A 53 22.664 -11.636 8.131 1.00 16.71 C ATOM 395 C HIS A 53 21.641 -12.673 8.565 1.00 16.72 C ATOM 396 O HIS A 53 20.445 -12.508 8.302 1.00 16.86 O ATOM 397 CB HIS A 53 22.477 -10.295 8.847 1.00 16.88 C ATOM 398 CG HIS A 53 22.201 -10.391 10.318 1.00 20.02 C ATOM 399 ND1 HIS A 53 23.176 -10.691 11.245 1.00 18.51 N ATOM 400 CD2 HIS A 53 21.068 -10.164 11.027 1.00 18.78 C ATOM 401 CE1 HIS A 53 22.648 -10.674 12.459 1.00 20.73 C ATOM 402 NE2 HIS A 53 21.372 -10.352 12.354 1.00 20.48 N ATOM 0 H HIS A 53 21.733 -11.066 6.506 1.00 16.90 H new ATOM 0 HA HIS A 53 23.558 -11.940 8.354 1.00 16.71 H new ATOM 0 HB2 HIS A 53 23.276 -9.761 8.716 1.00 16.88 H new ATOM 0 HB3 HIS A 53 21.745 -9.819 8.425 1.00 16.88 H new ATOM 0 HD1 HIS A 53 23.999 -10.862 11.063 1.00 18.51 H new ATOM 0 HD2 HIS A 53 20.239 -9.925 10.680 1.00 18.78 H new ATOM 0 HE1 HIS A 53 23.099 -10.858 13.251 1.00 20.73 H new ATOM 403 N PHE A 54 22.115 -13.762 9.165 1.00 16.67 N ATOM 404 CA PHE A 54 21.271 -14.890 9.550 1.00 16.05 C ATOM 405 C PHE A 54 21.595 -15.238 10.997 1.00 20.24 C ATOM 406 O PHE A 54 22.698 -15.716 11.288 1.00 19.59 O ATOM 407 CB PHE A 54 21.512 -16.082 8.621 1.00 18.03 C ATOM 408 CG PHE A 54 20.722 -17.311 8.970 1.00 17.67 C ATOM 409 CD1 PHE A 54 19.385 -17.416 8.611 1.00 18.03 C ATOM 410 CD2 PHE A 54 21.330 -18.382 9.619 1.00 16.86 C ATOM 411 CE1 PHE A 54 18.658 -18.555 8.918 1.00 19.96 C ATOM 412 CE2 PHE A 54 20.617 -19.534 9.919 1.00 17.73 C ATOM 413 CZ PHE A 54 19.275 -19.621 9.573 1.00 18.94 C ATOM 0 H PHE A 54 22.945 -13.868 9.362 1.00 16.67 H new ATOM 0 HA PHE A 54 20.333 -14.657 9.471 1.00 16.05 H new ATOM 0 HB2 PHE A 54 21.296 -15.819 7.713 1.00 18.03 H new ATOM 0 HB3 PHE A 54 22.456 -16.303 8.635 1.00 18.03 H new ATOM 0 HD1 PHE A 54 18.973 -16.715 8.160 1.00 18.03 H new ATOM 0 HD2 PHE A 54 22.228 -18.325 9.855 1.00 16.86 H new ATOM 0 HE1 PHE A 54 17.759 -18.609 8.687 1.00 19.96 H new ATOM 0 HE2 PHE A 54 21.036 -20.244 10.350 1.00 17.73 H new ATOM 0 HZ PHE A 54 18.789 -20.387 9.777 1.00 18.94 H new ATOM 414 N GLN A 55 20.646 -14.985 11.904 1.00 18.15 N ATOM 415 CA GLN A 55 20.867 -15.109 13.339 1.00 18.39 C ATOM 416 C GLN A 55 19.782 -15.992 13.924 1.00 21.10 C ATOM 417 O GLN A 55 18.598 -15.650 13.864 1.00 21.00 O ATOM 418 CB GLN A 55 20.873 -13.745 14.033 1.00 18.13 C ATOM 419 CG GLN A 55 21.316 -13.833 15.490 1.00 21.90 C ATOM 420 CD GLN A 55 20.934 -12.613 16.298 1.00 28.43 C ATOM 421 OE1 GLN A 55 19.750 -12.311 16.475 1.00 31.86 O ATOM 422 NE2 GLN A 55 21.937 -11.908 16.805 1.00 31.23 N ATOM 0 H GLN A 55 19.850 -14.734 11.696 1.00 18.15 H new ATOM 0 HA GLN A 55 21.739 -15.507 13.486 1.00 18.39 H new ATOM 0 HB2 GLN A 55 21.465 -13.144 13.554 1.00 18.13 H new ATOM 0 HB3 GLN A 55 19.984 -13.360 13.991 1.00 18.13 H new ATOM 0 HG2 GLN A 55 20.921 -14.620 15.896 1.00 21.90 H new ATOM 0 HG3 GLN A 55 22.278 -13.949 15.524 1.00 21.90 H new ATOM 0 HE21 GLN A 55 22.749 -12.150 16.660 1.00 31.23 H new ATOM 0 HE22 GLN A 55 21.775 -11.209 17.279 1.00 31.23 H new ATOM 423 N VAL A 56 20.187 -17.122 14.482 1.00 19.34 N ATOM 424 CA VAL A 56 19.282 -18.059 15.127 1.00 18.94 C ATOM 425 C VAL A 56 19.361 -17.831 16.622 1.00 20.59 C ATOM 426 O VAL A 56 20.453 -17.898 17.194 1.00 21.72 O ATOM 427 CB VAL A 56 19.669 -19.511 14.801 1.00 20.08 C ATOM 428 CG1 VAL A 56 18.666 -20.497 15.429 1.00 17.66 C ATOM 429 CG2 VAL A 56 19.805 -19.707 13.297 1.00 18.29 C ATOM 0 H VAL A 56 21.010 -17.371 14.497 1.00 19.34 H new ATOM 0 HA VAL A 56 18.379 -17.914 14.804 1.00 18.94 H new ATOM 0 HB VAL A 56 20.536 -19.698 15.193 1.00 20.08 H new ATOM 0 HG11 VAL A 56 18.927 -21.406 15.213 1.00 17.66 H new ATOM 0 HG12 VAL A 56 18.660 -20.383 16.392 1.00 17.66 H new ATOM 0 HG13 VAL A 56 17.778 -20.323 15.078 1.00 17.66 H new ATOM 0 HG21 VAL A 56 20.049 -20.627 13.111 1.00 18.29 H new ATOM 0 HG22 VAL A 56 18.960 -19.504 12.866 1.00 18.29 H new ATOM 0 HG23 VAL A 56 20.493 -19.115 12.954 1.00 18.29 H new ATOM 430 N CYS A 57 18.222 -17.584 17.266 1.00 19.68 N ATOM 431 CA CYS A 57 18.124 -17.769 18.714 1.00 19.57 C ATOM 432 C CYS A 57 17.488 -19.137 18.925 1.00 17.93 C ATOM 433 O CYS A 57 16.266 -19.288 18.839 1.00 18.02 O ATOM 434 CB CYS A 57 17.329 -16.668 19.404 1.00 22.66 C ATOM 435 SG CYS A 57 17.388 -16.858 21.243 1.00 32.36 S ATOM 0 H CYS A 57 17.500 -17.311 16.888 1.00 19.68 H new ATOM 0 HA CYS A 57 19.005 -17.720 19.116 1.00 19.57 H new ATOM 0 HB2 CYS A 57 17.686 -15.802 19.154 1.00 22.66 H new ATOM 0 HB3 CYS A 57 16.407 -16.693 19.103 1.00 22.66 H new ATOM 0 HG CYS A 57 18.184 -16.085 21.700 1.00 32.36 H new ATOM 436 N PHE A 58 18.334 -20.136 19.174 1.00 16.82 N ATOM 437 CA PHE A 58 17.904 -21.527 19.206 1.00 20.41 C ATOM 438 C PHE A 58 16.719 -21.722 20.137 1.00 23.02 C ATOM 439 O PHE A 58 16.755 -21.324 21.306 1.00 18.68 O ATOM 440 CB PHE A 58 19.063 -22.423 19.644 1.00 18.73 C ATOM 441 CG PHE A 58 20.096 -22.631 18.579 1.00 20.72 C ATOM 442 CD1 PHE A 58 19.815 -23.408 17.461 1.00 19.21 C ATOM 443 CD2 PHE A 58 21.344 -22.045 18.682 1.00 19.72 C ATOM 444 CE1 PHE A 58 20.771 -23.598 16.464 1.00 22.92 C ATOM 445 CE2 PHE A 58 22.303 -22.236 17.692 1.00 19.67 C ATOM 446 CZ PHE A 58 22.014 -23.015 16.579 1.00 21.32 C ATOM 0 H PHE A 58 19.172 -20.023 19.329 1.00 16.82 H new ATOM 0 HA PHE A 58 17.625 -21.773 18.310 1.00 20.41 H new ATOM 0 HB2 PHE A 58 19.487 -22.032 20.424 1.00 18.73 H new ATOM 0 HB3 PHE A 58 18.711 -23.285 19.915 1.00 18.73 H new ATOM 0 HD1 PHE A 58 18.979 -23.806 17.377 1.00 19.21 H new ATOM 0 HD2 PHE A 58 21.545 -21.517 19.421 1.00 19.72 H new ATOM 0 HE1 PHE A 58 20.569 -24.119 15.720 1.00 22.92 H new ATOM 0 HE2 PHE A 58 23.141 -21.841 17.776 1.00 19.67 H new ATOM 0 HZ PHE A 58 22.654 -23.142 15.917 1.00 21.32 H new ATOM 447 N GLY A 59 15.667 -22.344 19.601 1.00 24.34 N ATOM 448 CA GLY A 59 14.447 -22.602 20.336 1.00 23.74 C ATOM 449 C GLY A 59 13.474 -21.446 20.395 1.00 24.92 C ATOM 450 O GLY A 59 12.378 -21.613 20.947 1.00 26.41 O ATOM 0 H GLY A 59 15.650 -22.628 18.790 1.00 24.34 H new ATOM 0 HA2 GLY A 59 13.999 -23.363 19.934 1.00 23.74 H new ATOM 0 HA3 GLY A 59 14.680 -22.856 21.243 1.00 23.74 H new ATOM 451 N ARG A 60 13.832 -20.279 19.851 1.00 21.32 N ATOM 452 CA ARG A 60 12.966 -19.113 19.953 1.00 19.36 C ATOM 453 C ARG A 60 12.628 -18.573 18.571 1.00 22.37 C ATOM 454 O ARG A 60 11.495 -18.726 18.103 1.00 23.29 O ATOM 455 CB ARG A 60 13.616 -18.032 20.818 1.00 20.45 C ATOM 0 H ARG A 60 14.566 -20.147 19.423 1.00 21.32 H new ATOM 0 HA ARG A 60 12.139 -19.384 20.381 1.00 19.36 H new ATOM 456 N ARG A 61 13.595 -17.952 17.902 1.00 20.79 N ATOM 457 CA ARG A 61 13.311 -17.300 16.631 1.00 22.79 C ATOM 458 C ARG A 61 14.568 -17.231 15.779 1.00 22.88 C ATOM 459 O ARG A 61 15.679 -17.537 16.225 1.00 21.50 O ATOM 460 CB ARG A 61 12.765 -15.884 16.835 1.00 24.65 C ATOM 461 CG ARG A 61 13.668 -15.030 17.699 1.00 24.22 C ATOM 462 CD ARG A 61 13.275 -13.569 17.645 1.00 31.00 C ATOM 463 NE ARG A 61 14.412 -12.696 17.939 1.00 32.33 N ATOM 464 CZ ARG A 61 14.411 -11.381 17.744 1.00 32.68 C ATOM 465 NH1 ARG A 61 13.335 -10.779 17.253 1.00 32.14 N ATOM 466 NH2 ARG A 61 15.487 -10.665 18.033 1.00 33.57 N ATOM 0 H ARG A 61 14.412 -17.897 18.164 1.00 20.79 H new ATOM 0 HA ARG A 61 12.636 -17.830 16.179 1.00 22.79 H new ATOM 0 HB2 ARG A 61 12.652 -15.457 15.971 1.00 24.65 H new ATOM 0 HB3 ARG A 61 11.887 -15.936 17.243 1.00 24.65 H new ATOM 0 HG2 ARG A 61 13.629 -15.342 18.616 1.00 24.22 H new ATOM 0 HG3 ARG A 61 14.587 -15.129 17.405 1.00 24.22 H new ATOM 0 HD2 ARG A 61 12.924 -13.360 16.765 1.00 31.00 H new ATOM 0 HD3 ARG A 61 12.563 -13.401 18.282 1.00 31.00 H new ATOM 0 HE ARG A 61 15.125 -13.056 18.258 1.00 32.33 H new ATOM 0 HH11 ARG A 61 12.635 -11.240 17.060 1.00 32.14 H new ATOM 0 HH12 ARG A 61 13.338 -9.928 17.128 1.00 32.14 H new ATOM 0 HH21 ARG A 61 16.188 -11.051 18.348 1.00 33.57 H new ATOM 0 HH22 ARG A 61 15.484 -9.814 17.906 1.00 33.57 H new ATOM 467 N VAL A 62 14.362 -16.813 14.533 1.00 21.75 N ATOM 468 CA VAL A 62 15.420 -16.545 13.571 1.00 21.89 C ATOM 469 C VAL A 62 15.167 -15.155 13.010 1.00 23.60 C ATOM 470 O VAL A 62 14.023 -14.797 12.707 1.00 20.92 O ATOM 471 CB VAL A 62 15.465 -17.607 12.442 1.00 22.00 C ATOM 472 CG1 VAL A 62 16.367 -17.167 11.295 1.00 19.10 C ATOM 473 CG2 VAL A 62 15.931 -18.954 12.991 1.00 22.19 C ATOM 0 H VAL A 62 13.575 -16.674 14.216 1.00 21.75 H new ATOM 0 HA VAL A 62 16.285 -16.590 14.007 1.00 21.89 H new ATOM 0 HB VAL A 62 14.564 -17.702 12.094 1.00 22.00 H new ATOM 0 HG11 VAL A 62 16.373 -17.851 10.607 1.00 19.10 H new ATOM 0 HG12 VAL A 62 16.033 -16.336 10.921 1.00 19.10 H new ATOM 0 HG13 VAL A 62 17.269 -17.033 11.626 1.00 19.10 H new ATOM 0 HG21 VAL A 62 15.953 -19.606 12.273 1.00 22.19 H new ATOM 0 HG22 VAL A 62 16.819 -18.860 13.369 1.00 22.19 H new ATOM 0 HG23 VAL A 62 15.317 -19.253 13.680 1.00 22.19 H new ATOM 474 N VAL A 63 16.228 -14.360 12.904 1.00 21.74 N ATOM 475 CA VAL A 63 16.159 -13.012 12.360 1.00 20.73 C ATOM 476 C VAL A 63 17.056 -12.963 11.128 1.00 22.23 C ATOM 477 O VAL A 63 18.147 -13.540 11.127 1.00 21.74 O ATOM 478 CB VAL A 63 16.577 -11.974 13.428 1.00 22.64 C ATOM 479 CG1 VAL A 63 17.000 -10.664 12.803 1.00 28.05 C ATOM 480 CG2 VAL A 63 15.437 -11.738 14.395 1.00 27.52 C ATOM 0 H VAL A 63 17.018 -14.594 13.150 1.00 21.74 H new ATOM 0 HA VAL A 63 15.251 -12.788 12.103 1.00 20.73 H new ATOM 0 HB VAL A 63 17.341 -12.335 13.905 1.00 22.64 H new ATOM 0 HG11 VAL A 63 17.254 -10.040 13.500 1.00 28.05 H new ATOM 0 HG12 VAL A 63 17.756 -10.815 12.214 1.00 28.05 H new ATOM 0 HG13 VAL A 63 16.262 -10.295 12.293 1.00 28.05 H new ATOM 0 HG21 VAL A 63 15.707 -11.086 15.061 1.00 27.52 H new ATOM 0 HG22 VAL A 63 14.666 -11.404 13.911 1.00 27.52 H new ATOM 0 HG23 VAL A 63 15.207 -12.572 14.834 1.00 27.52 H new ATOM 481 N MET A 64 16.583 -12.324 10.061 1.00 19.78 N ATOM 482 CA MET A 64 17.389 -12.120 8.864 1.00 20.73 C ATOM 483 C MET A 64 17.329 -10.649 8.484 1.00 23.86 C ATOM 484 O MET A 64 16.287 -10.002 8.648 1.00 23.07 O ATOM 485 CB MET A 64 16.916 -12.996 7.695 1.00 18.40 C ATOM 486 CG MET A 64 17.329 -14.437 7.850 1.00 18.16 C ATOM 487 SD MET A 64 16.451 -15.513 6.718 1.00 22.09 S ATOM 488 CE MET A 64 14.767 -15.343 7.319 1.00 18.38 C ATOM 0 H MET A 64 15.789 -11.998 10.012 1.00 19.78 H new ATOM 0 HA MET A 64 18.303 -12.381 9.057 1.00 20.73 H new ATOM 0 HB2 MET A 64 15.950 -12.945 7.627 1.00 18.40 H new ATOM 0 HB3 MET A 64 17.278 -12.646 6.866 1.00 18.40 H new ATOM 0 HG2 MET A 64 18.283 -14.517 7.697 1.00 18.16 H new ATOM 0 HG3 MET A 64 17.163 -14.724 8.762 1.00 18.16 H new ATOM 0 HE1 MET A 64 14.221 -16.061 6.961 1.00 18.38 H new ATOM 0 HE2 MET A 64 14.763 -15.387 8.288 1.00 18.38 H new ATOM 0 HE3 MET A 64 14.406 -14.489 7.033 1.00 18.38 H new ATOM 489 N ASN A 65 18.447 -10.119 7.990 1.00 21.49 N ATOM 490 CA ASN A 65 18.530 -8.699 7.666 1.00 21.95 C ATOM 491 C ASN A 65 19.758 -8.471 6.801 1.00 20.76 C ATOM 492 O ASN A 65 20.486 -9.406 6.457 1.00 19.32 O ATOM 493 CB ASN A 65 18.572 -7.839 8.933 1.00 19.67 C ATOM 494 CG ASN A 65 18.074 -6.418 8.698 1.00 23.62 C ATOM 495 OD1 ASN A 65 17.974 -5.960 7.559 1.00 21.11 O ATOM 496 ND2 ASN A 65 17.767 -5.709 9.788 1.00 23.46 N ATOM 0 H ASN A 65 19.166 -10.565 7.836 1.00 21.49 H new ATOM 0 HA ASN A 65 17.736 -8.432 7.177 1.00 21.95 H new ATOM 0 HB2 ASN A 65 18.031 -8.257 9.621 1.00 19.67 H new ATOM 0 HB3 ASN A 65 19.482 -7.807 9.268 1.00 19.67 H new ATOM 0 HD21 ASN A 65 17.487 -4.900 9.710 1.00 23.46 H new ATOM 0 HD22 ASN A 65 17.849 -6.062 10.568 1.00 23.46 H new ATOM 497 N SER A 66 19.970 -7.212 6.439 1.00 17.43 N ATOM 498 CA SER A 66 21.210 -6.756 5.838 1.00 19.32 C ATOM 499 C SER A 66 21.639 -5.493 6.569 1.00 20.09 C ATOM 500 O SER A 66 20.832 -4.819 7.215 1.00 18.87 O ATOM 501 CB SER A 66 21.064 -6.480 4.329 1.00 17.48 C ATOM 502 OG SER A 66 19.992 -5.588 4.082 1.00 20.02 O ATOM 0 H SER A 66 19.385 -6.589 6.539 1.00 17.43 H new ATOM 0 HA SER A 66 21.879 -7.453 5.923 1.00 19.32 H new ATOM 0 HB2 SER A 66 21.889 -6.104 3.983 1.00 17.48 H new ATOM 0 HB3 SER A 66 20.912 -7.314 3.857 1.00 17.48 H new ATOM 0 HG SER A 66 20.220 -5.031 3.496 1.00 20.02 H new ATOM 503 N ARG A 67 22.927 -5.182 6.476 1.00 18.13 N ATOM 504 CA ARG A 67 23.477 -3.959 7.049 1.00 19.59 C ATOM 505 C ARG A 67 24.148 -3.206 5.914 1.00 19.87 C ATOM 506 O ARG A 67 25.137 -3.683 5.348 1.00 18.24 O ATOM 507 CB ARG A 67 24.464 -4.253 8.174 1.00 16.31 C ATOM 508 CG ARG A 67 24.955 -2.999 8.875 1.00 19.14 C ATOM 509 CD ARG A 67 25.700 -3.357 10.130 1.00 19.66 C ATOM 510 NE ARG A 67 26.987 -3.962 9.805 1.00 19.64 N ATOM 511 CZ ARG A 67 27.689 -4.715 10.644 1.00 20.52 C ATOM 512 NH1 ARG A 67 27.225 -4.949 11.865 1.00 18.55 N ATOM 513 NH2 ARG A 67 28.860 -5.224 10.266 1.00 19.36 N ATOM 0 H ARG A 67 23.508 -5.675 6.078 1.00 18.13 H new ATOM 0 HA ARG A 67 22.771 -3.428 7.449 1.00 19.59 H new ATOM 0 HB2 ARG A 67 24.042 -4.836 8.824 1.00 16.31 H new ATOM 0 HB3 ARG A 67 25.225 -4.734 7.813 1.00 16.31 H new ATOM 0 HG2 ARG A 67 25.533 -2.495 8.281 1.00 19.14 H new ATOM 0 HG3 ARG A 67 24.202 -2.427 9.091 1.00 19.14 H new ATOM 0 HD2 ARG A 67 25.837 -2.562 10.669 1.00 19.66 H new ATOM 0 HD3 ARG A 67 25.172 -3.973 10.662 1.00 19.66 H new ATOM 0 HE ARG A 67 27.311 -3.822 9.021 1.00 19.64 H new ATOM 0 HH11 ARG A 67 26.472 -4.613 12.111 1.00 18.55 H new ATOM 0 HH12 ARG A 67 27.677 -5.436 12.411 1.00 18.55 H new ATOM 0 HH21 ARG A 67 29.163 -5.065 9.477 1.00 19.36 H new ATOM 0 HH22 ARG A 67 29.313 -5.711 10.811 1.00 19.36 H new ATOM 514 N GLU A 68 23.597 -2.052 5.562 1.00 19.41 N ATOM 515 CA GLU A 68 24.022 -1.327 4.377 1.00 21.29 C ATOM 516 C GLU A 68 24.508 0.052 4.798 1.00 23.50 C ATOM 517 O GLU A 68 23.803 0.771 5.517 1.00 22.39 O ATOM 518 CB GLU A 68 22.882 -1.261 3.351 1.00 24.75 C ATOM 519 CG GLU A 68 22.326 -2.654 3.009 1.00 22.23 C ATOM 520 CD GLU A 68 21.089 -2.628 2.128 1.00 26.47 C ATOM 521 OE1 GLU A 68 20.931 -1.670 1.346 1.00 30.16 O ATOM 522 OE2 GLU A 68 20.274 -3.578 2.222 1.00 22.46 O ATOM 0 H GLU A 68 22.967 -1.668 6.004 1.00 19.41 H new ATOM 0 HA GLU A 68 24.756 -1.789 3.942 1.00 21.29 H new ATOM 0 HB2 GLU A 68 22.167 -0.706 3.700 1.00 24.75 H new ATOM 0 HB3 GLU A 68 23.203 -0.835 2.541 1.00 24.75 H new ATOM 0 HG2 GLU A 68 23.018 -3.168 2.564 1.00 22.23 H new ATOM 0 HG3 GLU A 68 22.114 -3.119 3.834 1.00 22.23 H new ATOM 523 N TYR A 69 25.730 0.392 4.369 1.00 21.71 N ATOM 524 CA TYR A 69 26.432 1.611 4.783 1.00 22.52 C ATOM 525 C TYR A 69 26.354 1.795 6.290 1.00 22.99 C ATOM 526 O TYR A 69 26.059 2.879 6.793 1.00 24.10 O ATOM 527 CB TYR A 69 25.902 2.833 4.028 1.00 22.92 C ATOM 528 CG TYR A 69 25.987 2.591 2.548 1.00 25.50 C ATOM 529 CD1 TYR A 69 27.169 2.825 1.850 1.00 25.23 C ATOM 530 CD2 TYR A 69 24.910 2.051 1.858 1.00 28.61 C ATOM 531 CE1 TYR A 69 27.262 2.559 0.489 1.00 24.87 C ATOM 532 CE2 TYR A 69 24.992 1.786 0.510 1.00 28.82 C ATOM 533 CZ TYR A 69 26.166 2.043 -0.168 1.00 27.42 C ATOM 534 OH TYR A 69 26.216 1.766 -1.514 1.00 32.55 O ATOM 0 H TYR A 69 26.181 -0.091 3.818 1.00 21.71 H new ATOM 0 HA TYR A 69 27.369 1.517 4.552 1.00 22.52 H new ATOM 0 HB2 TYR A 69 24.983 3.008 4.284 1.00 22.92 H new ATOM 0 HB3 TYR A 69 26.417 3.620 4.266 1.00 22.92 H new ATOM 0 HD1 TYR A 69 27.908 3.165 2.302 1.00 25.23 H new ATOM 0 HD2 TYR A 69 24.121 1.865 2.314 1.00 28.61 H new ATOM 0 HE1 TYR A 69 28.052 2.727 0.028 1.00 24.87 H new ATOM 0 HE2 TYR A 69 24.259 1.435 0.058 1.00 28.82 H new ATOM 0 HH TYR A 69 25.476 1.459 -1.765 1.00 32.55 H new ATOM 535 N GLY A 70 26.601 0.706 7.012 1.00 21.31 N ATOM 536 CA GLY A 70 26.667 0.742 8.451 1.00 20.82 C ATOM 537 C GLY A 70 25.343 0.687 9.181 1.00 21.52 C ATOM 538 O GLY A 70 25.353 0.634 10.414 1.00 20.21 O ATOM 0 H GLY A 70 26.734 -0.073 6.672 1.00 21.31 H new ATOM 0 HA2 GLY A 70 27.211 -0.003 8.750 1.00 20.82 H new ATOM 0 HA3 GLY A 70 27.127 1.554 8.715 1.00 20.82 H new ATOM 539 N ALA A 71 24.208 0.683 8.481 1.00 19.79 N ATOM 540 CA ALA A 71 22.895 0.716 9.121 1.00 21.21 C ATOM 541 C ALA A 71 22.112 -0.558 8.829 1.00 22.70 C ATOM 542 O ALA A 71 22.102 -1.046 7.690 1.00 20.19 O ATOM 543 CB ALA A 71 22.082 1.927 8.649 1.00 21.46 C ATOM 0 H ALA A 71 24.179 0.661 7.622 1.00 19.79 H new ATOM 0 HA ALA A 71 23.043 0.786 10.077 1.00 21.21 H new ATOM 0 HB1 ALA A 71 21.217 1.927 9.087 1.00 21.46 H new ATOM 0 HB2 ALA A 71 22.557 2.743 8.873 1.00 21.46 H new ATOM 0 HB3 ALA A 71 21.958 1.879 7.688 1.00 21.46 H new ATOM 544 N TRP A 72 21.440 -1.084 9.857 1.00 20.93 N ATOM 545 CA TRP A 72 20.574 -2.242 9.663 1.00 21.71 C ATOM 546 C TRP A 72 19.333 -1.855 8.872 1.00 20.89 C ATOM 547 O TRP A 72 18.771 -0.773 9.060 1.00 21.86 O ATOM 548 CB TRP A 72 20.162 -2.844 11.002 1.00 20.66 C ATOM 549 CG TRP A 72 21.282 -3.452 11.746 1.00 21.39 C ATOM 550 CD1 TRP A 72 21.874 -2.963 12.869 1.00 24.52 C ATOM 551 CD2 TRP A 72 21.963 -4.669 11.427 1.00 21.66 C ATOM 552 NE1 TRP A 72 22.884 -3.803 13.276 1.00 25.98 N ATOM 553 CE2 TRP A 72 22.957 -4.858 12.406 1.00 22.99 C ATOM 554 CE3 TRP A 72 21.824 -5.622 10.413 1.00 21.63 C ATOM 555 CZ2 TRP A 72 23.810 -5.959 12.401 1.00 23.22 C ATOM 556 CZ3 TRP A 72 22.672 -6.718 10.408 1.00 21.46 C ATOM 557 CH2 TRP A 72 23.653 -6.875 11.390 1.00 20.64 C ATOM 0 H TRP A 72 21.473 -0.787 10.664 1.00 20.93 H new ATOM 0 HA TRP A 72 21.074 -2.906 9.164 1.00 21.71 H new ATOM 0 HB2 TRP A 72 19.758 -2.152 11.549 1.00 20.66 H new ATOM 0 HB3 TRP A 72 19.481 -3.518 10.849 1.00 20.66 H new ATOM 0 HD1 TRP A 72 21.631 -2.175 13.299 1.00 24.52 H new ATOM 0 HE1 TRP A 72 23.387 -3.685 13.964 1.00 25.98 H new ATOM 0 HE3 TRP A 72 21.175 -5.522 9.755 1.00 21.63 H new ATOM 0 HZ2 TRP A 72 24.460 -6.069 13.057 1.00 23.22 H new ATOM 0 HZ3 TRP A 72 22.587 -7.359 9.740 1.00 21.46 H new ATOM 0 HH2 TRP A 72 24.213 -7.617 11.358 1.00 20.64 H new ATOM 558 N LYS A 73 18.905 -2.746 7.979 1.00 21.10 N ATOM 559 CA LYS A 73 17.724 -2.462 7.176 1.00 22.71 C ATOM 560 C LYS A 73 16.508 -3.200 7.721 1.00 23.34 C ATOM 561 O LYS A 73 16.415 -3.437 8.926 1.00 22.72 O ATOM 562 CB LYS A 73 17.970 -2.817 5.707 1.00 23.89 C ATOM 563 CG LYS A 73 19.225 -2.180 5.118 1.00 23.51 C ATOM 564 CD LYS A 73 19.211 -0.652 5.194 1.00 26.85 C ATOM 565 CE LYS A 73 18.086 -0.069 4.361 1.00 35.98 C ATOM 566 NZ LYS A 73 18.362 1.336 3.953 1.00 43.89 N ATOM 0 H LYS A 73 19.278 -3.506 7.826 1.00 21.10 H new ATOM 0 HA LYS A 73 17.543 -1.510 7.228 1.00 22.71 H new ATOM 0 HB2 LYS A 73 18.038 -3.781 5.624 1.00 23.89 H new ATOM 0 HB3 LYS A 73 17.202 -2.540 5.184 1.00 23.89 H new ATOM 0 HG2 LYS A 73 20.004 -2.515 5.589 1.00 23.51 H new ATOM 0 HG3 LYS A 73 19.315 -2.452 4.191 1.00 23.51 H new ATOM 0 HD2 LYS A 73 19.110 -0.373 6.118 1.00 26.85 H new ATOM 0 HD3 LYS A 73 20.061 -0.303 4.883 1.00 26.85 H new ATOM 0 HE2 LYS A 73 17.955 -0.615 3.570 1.00 35.98 H new ATOM 0 HE3 LYS A 73 17.260 -0.101 4.868 1.00 35.98 H new ATOM 0 HZ1 LYS A 73 17.682 1.643 3.468 1.00 43.89 H new ATOM 0 HZ2 LYS A 73 18.461 1.842 4.678 1.00 43.89 H new ATOM 0 HZ3 LYS A 73 19.108 1.364 3.469 1.00 43.89 H new ATOM 567 N GLN A 74 15.569 -3.544 6.846 1.00 26.68 N ATOM 568 CA GLN A 74 14.297 -4.131 7.256 1.00 27.24 C ATOM 569 C GLN A 74 14.525 -5.539 7.786 1.00 25.46 C ATOM 570 O GLN A 74 14.916 -6.439 7.037 1.00 27.53 O ATOM 571 CB GLN A 74 13.331 -4.145 6.072 1.00 34.48 C ATOM 572 CG GLN A 74 12.009 -4.835 6.359 1.00 33.35 C ATOM 573 CD GLN A 74 11.232 -4.131 7.447 1.00 33.79 C ATOM 574 OE1 GLN A 74 11.142 -2.902 7.475 1.00 36.23 O ATOM 575 NE2 GLN A 74 10.688 -4.905 8.368 1.00 39.64 N ATOM 0 H GLN A 74 15.651 -3.444 5.996 1.00 26.68 H new ATOM 0 HA GLN A 74 13.907 -3.597 7.966 1.00 27.24 H new ATOM 0 HB2 GLN A 74 13.155 -3.231 5.799 1.00 34.48 H new ATOM 0 HB3 GLN A 74 13.760 -4.587 5.322 1.00 34.48 H new ATOM 0 HG2 GLN A 74 11.477 -4.864 5.549 1.00 33.35 H new ATOM 0 HG3 GLN A 74 12.174 -5.754 6.623 1.00 33.35 H new ATOM 0 HE21 GLN A 74 10.772 -5.759 8.316 1.00 39.64 H new ATOM 0 HE22 GLN A 74 10.250 -4.555 9.020 1.00 39.64 H new ATOM 576 N GLN A 75 14.264 -5.744 9.069 1.00 27.79 N ATOM 577 CA GLN A 75 14.437 -7.065 9.656 1.00 28.00 C ATOM 578 C GLN A 75 13.304 -8.002 9.241 1.00 27.40 C ATOM 579 O GLN A 75 12.133 -7.619 9.234 1.00 28.97 O ATOM 580 CB GLN A 75 14.498 -6.946 11.177 1.00 28.37 C ATOM 581 CG GLN A 75 14.515 -8.266 11.906 1.00 27.15 C ATOM 582 CD GLN A 75 14.723 -8.090 13.388 1.00 31.21 C ATOM 583 OE1 GLN A 75 15.837 -7.832 13.847 1.00 33.79 O ATOM 584 NE2 GLN A 75 13.642 -8.212 14.150 1.00 32.92 N ATOM 0 H GLN A 75 13.988 -5.138 9.613 1.00 27.79 H new ATOM 0 HA GLN A 75 15.269 -7.442 9.330 1.00 28.00 H new ATOM 0 HB2 GLN A 75 15.292 -6.445 11.419 1.00 28.37 H new ATOM 0 HB3 GLN A 75 13.734 -6.431 11.481 1.00 28.37 H new ATOM 0 HG2 GLN A 75 13.678 -8.731 11.751 1.00 27.15 H new ATOM 0 HG3 GLN A 75 15.221 -8.825 11.545 1.00 27.15 H new ATOM 0 HE21 GLN A 75 12.881 -8.393 13.792 1.00 32.92 H new ATOM 0 HE22 GLN A 75 13.703 -8.110 15.002 1.00 32.92 H new ATOM 585 N VAL A 76 13.660 -9.232 8.873 1.00 25.52 N ATOM 586 CA VAL A 76 12.703 -10.310 8.653 1.00 25.63 C ATOM 587 C VAL A 76 12.832 -11.277 9.823 1.00 25.84 C ATOM 588 O VAL A 76 13.949 -11.645 10.205 1.00 25.88 O ATOM 589 CB VAL A 76 12.949 -11.009 7.305 1.00 23.68 C ATOM 590 CG1 VAL A 76 12.219 -12.333 7.239 1.00 24.89 C ATOM 591 CG2 VAL A 76 12.492 -10.114 6.194 1.00 27.99 C ATOM 0 H VAL A 76 14.478 -9.465 8.743 1.00 25.52 H new ATOM 0 HA VAL A 76 11.800 -9.959 8.610 1.00 25.63 H new ATOM 0 HB VAL A 76 13.898 -11.186 7.214 1.00 23.68 H new ATOM 0 HG11 VAL A 76 12.389 -12.754 6.382 1.00 24.89 H new ATOM 0 HG12 VAL A 76 12.533 -12.912 7.951 1.00 24.89 H new ATOM 0 HG13 VAL A 76 11.266 -12.183 7.342 1.00 24.89 H new ATOM 0 HG21 VAL A 76 12.646 -10.551 5.342 1.00 27.99 H new ATOM 0 HG22 VAL A 76 11.545 -9.929 6.296 1.00 27.99 H new ATOM 0 HG23 VAL A 76 12.989 -9.281 6.224 1.00 27.99 H new ATOM 592 N GLU A 77 11.700 -11.664 10.411 1.00 24.01 N ATOM 593 CA GLU A 77 11.675 -12.499 11.609 1.00 27.00 C ATOM 594 C GLU A 77 10.848 -13.756 11.361 1.00 28.37 C ATOM 595 O GLU A 77 9.771 -13.687 10.765 1.00 31.39 O ATOM 596 CB GLU A 77 11.105 -11.724 12.816 1.00 26.00 C ATOM 597 CG GLU A 77 11.042 -12.543 14.102 1.00 31.86 C ATOM 598 CD GLU A 77 10.369 -11.808 15.244 1.00 33.40 C ATOM 599 OE1 GLU A 77 11.054 -11.534 16.259 1.00 36.24 O ATOM 600 OE2 GLU A 77 9.161 -11.503 15.129 1.00 34.30 O ATOM 0 H GLU A 77 10.920 -11.447 10.122 1.00 24.01 H new ATOM 0 HA GLU A 77 12.588 -12.754 11.814 1.00 27.00 H new ATOM 0 HB2 GLU A 77 11.650 -10.937 12.971 1.00 26.00 H new ATOM 0 HB3 GLU A 77 10.213 -11.413 12.597 1.00 26.00 H new ATOM 0 HG2 GLU A 77 10.563 -13.369 13.930 1.00 31.86 H new ATOM 0 HG3 GLU A 77 11.942 -12.787 14.368 1.00 31.86 H new ATOM 601 N SER A 78 11.351 -14.904 11.824 1.00 24.03 N ATOM 602 CA SER A 78 10.692 -16.192 11.640 1.00 24.43 C ATOM 603 C SER A 78 10.658 -16.954 12.953 1.00 25.96 C ATOM 604 O SER A 78 11.613 -16.907 13.733 1.00 27.03 O ATOM 605 CB SER A 78 11.402 -17.049 10.588 1.00 22.85 C ATOM 606 OG SER A 78 11.018 -18.412 10.694 1.00 22.32 O ATOM 0 H SER A 78 12.092 -14.953 12.258 1.00 24.03 H new ATOM 0 HA SER A 78 9.790 -16.012 11.333 1.00 24.43 H new ATOM 0 HB2 SER A 78 11.190 -16.718 9.701 1.00 22.85 H new ATOM 0 HB3 SER A 78 12.363 -16.971 10.698 1.00 22.85 H new ATOM 0 HG SER A 78 11.307 -18.837 10.030 1.00 22.32 H new ATOM 607 N LYS A 79 9.555 -17.661 13.194 1.00 28.47 N ATOM 608 CA LYS A 79 9.442 -18.570 14.327 1.00 28.79 C ATOM 609 C LYS A 79 9.728 -20.018 13.948 1.00 28.62 C ATOM 610 O LYS A 79 9.767 -20.871 14.845 1.00 27.20 O ATOM 611 CB LYS A 79 8.047 -18.476 14.967 1.00 31.52 C ATOM 612 CG LYS A 79 7.747 -17.186 15.745 1.00 29.50 C ATOM 613 CD LYS A 79 8.735 -16.898 16.872 1.00 33.87 C ATOM 614 CE LYS A 79 8.642 -15.431 17.269 1.00 34.39 C ATOM 615 NZ LYS A 79 9.351 -14.613 16.240 1.00 37.42 N ATOM 0 H LYS A 79 8.851 -17.625 12.702 1.00 28.47 H new ATOM 0 HA LYS A 79 10.116 -18.292 14.967 1.00 28.79 H new ATOM 0 HB2 LYS A 79 7.383 -18.572 14.267 1.00 31.52 H new ATOM 0 HB3 LYS A 79 7.936 -19.229 15.569 1.00 31.52 H new ATOM 0 HG2 LYS A 79 7.749 -16.438 15.127 1.00 29.50 H new ATOM 0 HG3 LYS A 79 6.853 -17.244 16.118 1.00 29.50 H new ATOM 0 HD2 LYS A 79 8.541 -17.463 17.637 1.00 33.87 H new ATOM 0 HD3 LYS A 79 9.637 -17.109 16.585 1.00 33.87 H new ATOM 0 HE2 LYS A 79 7.713 -15.158 17.335 1.00 34.39 H new ATOM 0 HE3 LYS A 79 9.041 -15.293 18.142 1.00 34.39 H new ATOM 0 HZ1 LYS A 79 10.007 -14.153 16.627 1.00 37.42 H new ATOM 0 HZ2 LYS A 79 9.692 -15.150 15.617 1.00 37.42 H new ATOM 0 HZ3 LYS A 79 8.776 -14.048 15.862 1.00 37.42 H new ATOM 616 N ASN A 80 9.912 -20.312 12.651 1.00 24.79 N ATOM 617 CA ASN A 80 10.265 -21.657 12.200 1.00 24.39 C ATOM 618 C ASN A 80 11.572 -22.104 12.846 1.00 22.20 C ATOM 619 O ASN A 80 12.583 -21.399 12.785 1.00 21.79 O ATOM 620 CB ASN A 80 10.388 -21.675 10.672 1.00 23.87 C ATOM 621 CG ASN A 80 10.674 -23.064 10.108 1.00 24.25 C ATOM 622 OD1 ASN A 80 10.293 -24.084 10.685 1.00 24.86 O ATOM 623 ND2 ASN A 80 11.349 -23.102 8.965 1.00 23.43 N ATOM 0 H ASN A 80 9.835 -19.737 12.016 1.00 24.79 H new ATOM 0 HA ASN A 80 9.566 -22.275 12.466 1.00 24.39 H new ATOM 0 HB2 ASN A 80 9.566 -21.337 10.283 1.00 23.87 H new ATOM 0 HB3 ASN A 80 11.098 -21.071 10.403 1.00 23.87 H new ATOM 0 HD21 ASN A 80 11.535 -23.858 8.601 1.00 23.43 H new ATOM 0 HD22 ASN A 80 11.600 -22.370 8.589 1.00 23.43 H new ATOM 624 N MET A 81 11.557 -23.273 13.475 1.00 21.20 N ATOM 625 CA MET A 81 12.675 -23.718 14.309 1.00 25.22 C ATOM 626 C MET A 81 12.958 -25.193 14.047 1.00 25.39 C ATOM 627 O MET A 81 12.679 -26.058 14.888 1.00 25.24 O ATOM 628 CB MET A 81 12.377 -23.447 15.789 1.00 21.95 C ATOM 629 CG MET A 81 13.538 -23.675 16.733 1.00 21.44 C ATOM 630 SD MET A 81 15.020 -22.752 16.276 1.00 18.00 S ATOM 631 CE MET A 81 14.418 -21.058 16.259 1.00 20.61 C ATOM 0 H MET A 81 10.904 -23.830 13.433 1.00 21.20 H new ATOM 0 HA MET A 81 13.472 -23.216 14.078 1.00 25.22 H new ATOM 0 HB2 MET A 81 12.080 -22.528 15.881 1.00 21.95 H new ATOM 0 HB3 MET A 81 11.639 -24.013 16.064 1.00 21.95 H new ATOM 0 HG2 MET A 81 13.271 -23.423 17.631 1.00 21.44 H new ATOM 0 HG3 MET A 81 13.748 -24.622 16.755 1.00 21.44 H new ATOM 0 HE1 MET A 81 15.171 -20.447 16.226 1.00 20.61 H new ATOM 0 HE2 MET A 81 13.857 -20.922 15.480 1.00 20.61 H new ATOM 0 HE3 MET A 81 13.901 -20.890 17.062 1.00 20.61 H new ATOM 632 N PRO A 82 13.534 -25.518 12.884 1.00 20.19 N ATOM 633 CA PRO A 82 13.876 -26.923 12.615 1.00 24.21 C ATOM 634 C PRO A 82 15.033 -27.448 13.461 1.00 23.14 C ATOM 635 O PRO A 82 15.161 -28.671 13.606 1.00 22.80 O ATOM 636 CB PRO A 82 14.228 -26.917 11.122 1.00 21.35 C ATOM 637 CG PRO A 82 14.710 -25.532 10.875 1.00 20.21 C ATOM 638 CD PRO A 82 13.861 -24.650 11.737 1.00 21.63 C ATOM 0 HA PRO A 82 13.145 -27.519 12.844 1.00 24.21 H new ATOM 0 HB2 PRO A 82 14.911 -27.574 10.915 1.00 21.35 H new ATOM 0 HB3 PRO A 82 13.456 -27.128 10.574 1.00 21.35 H new ATOM 0 HG2 PRO A 82 15.649 -25.444 11.103 1.00 20.21 H new ATOM 0 HG3 PRO A 82 14.622 -25.294 9.939 1.00 20.21 H new ATOM 0 HD2 PRO A 82 14.339 -23.853 12.015 1.00 21.63 H new ATOM 0 HD3 PRO A 82 13.063 -24.355 11.272 1.00 21.63 H new ATOM 639 N PHE A 83 15.883 -26.579 14.009 1.00 20.72 N ATOM 640 CA PHE A 83 16.979 -27.045 14.851 1.00 21.89 C ATOM 641 C PHE A 83 16.435 -27.794 16.060 1.00 23.48 C ATOM 642 O PHE A 83 15.397 -27.428 16.618 1.00 22.39 O ATOM 643 CB PHE A 83 17.835 -25.868 15.310 1.00 18.75 C ATOM 644 CG PHE A 83 18.451 -25.096 14.183 1.00 19.94 C ATOM 645 CD1 PHE A 83 17.776 -24.034 13.608 1.00 20.15 C ATOM 646 CD2 PHE A 83 19.709 -25.431 13.699 1.00 18.83 C ATOM 647 CE1 PHE A 83 18.339 -23.316 12.561 1.00 19.74 C ATOM 648 CE2 PHE A 83 20.277 -24.722 12.665 1.00 16.42 C ATOM 649 CZ PHE A 83 19.590 -23.659 12.093 1.00 18.30 C ATOM 0 H PHE A 83 15.842 -25.726 13.906 1.00 20.72 H new ATOM 0 HA PHE A 83 17.531 -27.649 14.330 1.00 21.89 H new ATOM 0 HB2 PHE A 83 17.288 -25.268 15.841 1.00 18.75 H new ATOM 0 HB3 PHE A 83 18.540 -26.197 15.889 1.00 18.75 H new ATOM 0 HD1 PHE A 83 16.935 -23.798 13.927 1.00 20.15 H new ATOM 0 HD2 PHE A 83 20.173 -26.142 14.078 1.00 18.83 H new ATOM 0 HE1 PHE A 83 17.875 -22.607 12.177 1.00 19.74 H new ATOM 0 HE2 PHE A 83 21.120 -24.955 12.350 1.00 16.42 H new ATOM 0 HZ PHE A 83 19.973 -23.179 11.395 1.00 18.30 H new ATOM 650 N GLN A 84 17.148 -28.845 16.468 1.00 24.58 N ATOM 651 CA GLN A 84 16.726 -29.719 17.555 1.00 21.87 C ATOM 652 C GLN A 84 17.599 -29.503 18.788 1.00 24.96 C ATOM 653 O GLN A 84 18.819 -29.348 18.677 1.00 23.62 O ATOM 654 CB GLN A 84 16.781 -31.184 17.122 1.00 23.33 C ATOM 655 CG GLN A 84 15.846 -31.502 15.967 1.00 26.79 C ATOM 656 CD GLN A 84 14.424 -31.067 16.270 1.00 28.97 C ATOM 657 OE1 GLN A 84 13.785 -31.590 17.180 1.00 30.44 O ATOM 658 NE2 GLN A 84 13.930 -30.098 15.524 1.00 30.27 N ATOM 0 H GLN A 84 17.899 -29.070 16.115 1.00 24.58 H new ATOM 0 HA GLN A 84 15.809 -29.497 17.781 1.00 21.87 H new ATOM 0 HB2 GLN A 84 17.690 -31.405 16.865 1.00 23.33 H new ATOM 0 HB3 GLN A 84 16.555 -31.748 17.878 1.00 23.33 H new ATOM 0 HG2 GLN A 84 16.158 -31.057 15.164 1.00 26.79 H new ATOM 0 HG3 GLN A 84 15.863 -32.455 15.788 1.00 26.79 H new ATOM 0 HE21 GLN A 84 14.405 -29.755 14.895 1.00 30.27 H new ATOM 0 HE22 GLN A 84 13.132 -29.810 15.667 1.00 30.27 H new ATOM 659 N ASP A 85 16.964 -29.509 19.960 1.00 21.23 N ATOM 660 CA ASP A 85 17.675 -29.264 21.208 1.00 21.18 C ATOM 661 C ASP A 85 18.773 -30.301 21.425 1.00 24.72 C ATOM 662 O ASP A 85 18.530 -31.510 21.359 1.00 24.78 O ATOM 663 CB ASP A 85 16.690 -29.281 22.374 1.00 22.82 C ATOM 664 CG ASP A 85 17.258 -28.636 23.630 1.00 22.86 C ATOM 665 OD1 ASP A 85 18.401 -28.136 23.596 1.00 21.50 O ATOM 666 OD2 ASP A 85 16.557 -28.628 24.659 1.00 27.19 O ATOM 0 H ASP A 85 16.121 -29.653 20.051 1.00 21.23 H new ATOM 0 HA ASP A 85 18.095 -28.391 21.158 1.00 21.18 H new ATOM 0 HB2 ASP A 85 15.879 -28.816 22.115 1.00 22.82 H new ATOM 0 HB3 ASP A 85 16.441 -30.198 22.570 1.00 22.82 H new ATOM 667 N GLY A 86 19.992 -29.820 21.672 1.00 26.21 N ATOM 668 CA GLY A 86 21.119 -30.677 21.994 1.00 22.51 C ATOM 669 C GLY A 86 21.750 -31.401 20.830 1.00 24.61 C ATOM 670 O GLY A 86 22.662 -32.209 21.048 1.00 25.24 O ATOM 0 H GLY A 86 20.184 -28.982 21.656 1.00 26.21 H new ATOM 0 HA2 GLY A 86 21.800 -30.138 22.425 1.00 22.51 H new ATOM 0 HA3 GLY A 86 20.827 -31.336 22.643 1.00 22.51 H new ATOM 671 N GLN A 87 21.329 -31.113 19.601 1.00 23.22 N ATOM 672 CA GLN A 87 21.687 -31.904 18.435 1.00 25.57 C ATOM 673 C GLN A 87 22.644 -31.166 17.508 1.00 25.36 C ATOM 674 O GLN A 87 22.681 -29.935 17.461 1.00 21.07 O ATOM 675 CB GLN A 87 20.436 -32.295 17.648 1.00 25.14 C ATOM 676 CG GLN A 87 19.463 -33.116 18.457 1.00 28.98 C ATOM 677 CD GLN A 87 20.163 -34.188 19.263 1.00 34.88 C ATOM 678 OE1 GLN A 87 20.834 -35.061 18.699 1.00 37.09 O ATOM 679 NE2 GLN A 87 20.023 -34.124 20.594 1.00 35.91 N ATOM 0 H GLN A 87 20.821 -30.443 19.422 1.00 23.22 H new ATOM 0 HA GLN A 87 22.135 -32.698 18.765 1.00 25.57 H new ATOM 0 HB2 GLN A 87 19.992 -31.491 17.336 1.00 25.14 H new ATOM 0 HB3 GLN A 87 20.699 -32.797 16.861 1.00 25.14 H new ATOM 0 HG2 GLN A 87 18.968 -32.534 19.055 1.00 28.98 H new ATOM 0 HG3 GLN A 87 18.817 -33.529 17.863 1.00 28.98 H new ATOM 0 HE21 GLN A 87 19.547 -33.500 20.947 1.00 35.91 H new ATOM 0 HE22 GLN A 87 20.409 -34.706 21.095 1.00 35.91 H new ATOM 680 N GLU A 88 23.421 -31.943 16.768 1.00 26.89 N ATOM 681 CA GLU A 88 24.189 -31.401 15.666 1.00 26.17 C ATOM 682 C GLU A 88 23.246 -30.949 14.557 1.00 24.11 C ATOM 683 O GLU A 88 22.167 -31.516 14.360 1.00 23.20 O ATOM 684 CB GLU A 88 25.156 -32.455 15.145 1.00 29.57 C ATOM 685 CG GLU A 88 26.095 -31.955 14.089 1.00 36.17 C ATOM 686 CD GLU A 88 27.258 -32.896 13.885 1.00 45.48 C ATOM 687 OE1 GLU A 88 27.118 -33.850 13.089 1.00 49.81 O ATOM 688 OE2 GLU A 88 28.303 -32.695 14.545 1.00 46.98 O ATOM 0 H GLU A 88 23.516 -32.789 16.890 1.00 26.89 H new ATOM 0 HA GLU A 88 24.700 -30.636 15.973 1.00 26.17 H new ATOM 0 HB2 GLU A 88 25.675 -32.800 15.889 1.00 29.57 H new ATOM 0 HB3 GLU A 88 24.647 -33.198 14.786 1.00 29.57 H new ATOM 0 HG2 GLU A 88 25.615 -31.848 13.253 1.00 36.17 H new ATOM 0 HG3 GLU A 88 26.427 -31.079 14.340 1.00 36.17 H new ATOM 689 N PHE A 89 23.641 -29.898 13.850 1.00 21.73 N ATOM 690 CA PHE A 89 22.848 -29.396 12.743 1.00 19.88 C ATOM 691 C PHE A 89 23.726 -29.278 11.507 1.00 23.68 C ATOM 692 O PHE A 89 24.932 -29.037 11.600 1.00 21.64 O ATOM 693 CB PHE A 89 22.207 -28.039 13.064 1.00 18.04 C ATOM 694 CG PHE A 89 23.203 -26.947 13.357 1.00 20.83 C ATOM 695 CD1 PHE A 89 23.867 -26.280 12.336 1.00 20.01 C ATOM 696 CD2 PHE A 89 23.478 -26.586 14.666 1.00 24.95 C ATOM 697 CE1 PHE A 89 24.786 -25.284 12.613 1.00 18.03 C ATOM 698 CE2 PHE A 89 24.404 -25.581 14.949 1.00 21.99 C ATOM 699 CZ PHE A 89 25.057 -24.933 13.910 1.00 19.51 C ATOM 0 H PHE A 89 24.367 -29.462 13.997 1.00 21.73 H new ATOM 0 HA PHE A 89 22.127 -30.025 12.581 1.00 19.88 H new ATOM 0 HB2 PHE A 89 21.654 -27.767 12.315 1.00 18.04 H new ATOM 0 HB3 PHE A 89 21.619 -28.142 13.829 1.00 18.04 H new ATOM 0 HD1 PHE A 89 23.691 -26.507 11.451 1.00 20.01 H new ATOM 0 HD2 PHE A 89 23.041 -27.018 15.364 1.00 24.95 H new ATOM 0 HE1 PHE A 89 25.222 -24.850 11.916 1.00 18.03 H new ATOM 0 HE2 PHE A 89 24.583 -25.346 15.831 1.00 21.99 H new ATOM 0 HZ PHE A 89 25.676 -24.263 14.093 1.00 19.51 H new ATOM 700 N GLU A 90 23.101 -29.455 10.345 1.00 23.54 N ATOM 701 CA GLU A 90 23.730 -29.238 9.046 1.00 24.35 C ATOM 702 C GLU A 90 22.984 -28.109 8.346 1.00 25.17 C ATOM 703 O GLU A 90 21.780 -28.222 8.075 1.00 21.92 O ATOM 704 CB GLU A 90 23.722 -30.514 8.196 1.00 25.30 C ATOM 0 H GLU A 90 22.282 -29.710 10.290 1.00 23.54 H new ATOM 0 HA GLU A 90 24.661 -28.997 9.171 1.00 24.35 H new ATOM 705 N LEU A 91 23.697 -27.021 8.075 1.00 21.35 N ATOM 706 CA LEU A 91 23.127 -25.794 7.544 1.00 20.83 C ATOM 707 C LEU A 91 23.651 -25.607 6.134 1.00 23.60 C ATOM 708 O LEU A 91 24.853 -25.758 5.894 1.00 26.61 O ATOM 709 CB LEU A 91 23.510 -24.605 8.422 1.00 24.80 C ATOM 710 CG LEU A 91 22.764 -23.291 8.261 1.00 24.05 C ATOM 711 CD1 LEU A 91 21.313 -23.481 8.638 1.00 24.70 C ATOM 712 CD2 LEU A 91 23.428 -22.277 9.176 1.00 21.42 C ATOM 0 H LEU A 91 24.547 -26.977 8.199 1.00 21.35 H new ATOM 0 HA LEU A 91 22.159 -25.851 7.534 1.00 20.83 H new ATOM 0 HB2 LEU A 91 23.415 -24.883 9.347 1.00 24.80 H new ATOM 0 HB3 LEU A 91 24.452 -24.425 8.275 1.00 24.80 H new ATOM 0 HG LEU A 91 22.795 -22.981 7.342 1.00 24.05 H new ATOM 0 HD11 LEU A 91 20.839 -22.641 8.534 1.00 24.70 H new ATOM 0 HD12 LEU A 91 20.914 -24.151 8.061 1.00 24.70 H new ATOM 0 HD13 LEU A 91 21.254 -23.773 9.561 1.00 24.70 H new ATOM 0 HD21 LEU A 91 22.974 -21.423 9.097 1.00 21.42 H new ATOM 0 HD22 LEU A 91 23.376 -22.587 10.094 1.00 21.42 H new ATOM 0 HD23 LEU A 91 24.358 -22.172 8.922 1.00 21.42 H new ATOM 713 N SER A 92 22.751 -25.294 5.205 1.00 22.36 N ATOM 714 CA SER A 92 23.082 -25.188 3.788 1.00 20.61 C ATOM 715 C SER A 92 22.404 -23.949 3.238 1.00 20.86 C ATOM 716 O SER A 92 21.172 -23.888 3.177 1.00 21.87 O ATOM 717 CB SER A 92 22.629 -26.424 3.022 1.00 19.08 C ATOM 718 OG SER A 92 23.229 -26.455 1.753 1.00 28.46 O ATOM 0 H SER A 92 21.924 -25.136 5.382 1.00 22.36 H new ATOM 0 HA SER A 92 24.044 -25.122 3.684 1.00 20.61 H new ATOM 0 HB2 SER A 92 22.864 -27.224 3.518 1.00 19.08 H new ATOM 0 HB3 SER A 92 21.663 -26.420 2.931 1.00 19.08 H new ATOM 0 HG SER A 92 22.974 -27.140 1.339 1.00 28.46 H new ATOM 719 N ILE A 93 23.200 -22.965 2.845 1.00 19.74 N ATOM 720 CA ILE A 93 22.690 -21.724 2.276 1.00 19.03 C ATOM 721 C ILE A 93 23.032 -21.736 0.795 1.00 20.30 C ATOM 722 O ILE A 93 24.211 -21.744 0.424 1.00 19.10 O ATOM 723 CB ILE A 93 23.267 -20.496 2.984 1.00 17.64 C ATOM 724 CG1 ILE A 93 23.097 -20.656 4.494 1.00 16.05 C ATOM 725 CG2 ILE A 93 22.574 -19.239 2.514 1.00 15.90 C ATOM 726 CD1 ILE A 93 23.768 -19.572 5.264 1.00 16.56 C ATOM 0 H ILE A 93 24.058 -22.997 2.901 1.00 19.74 H new ATOM 0 HA ILE A 93 21.729 -21.666 2.398 1.00 19.03 H new ATOM 0 HB ILE A 93 24.210 -20.421 2.770 1.00 17.64 H new ATOM 0 HG12 ILE A 93 22.152 -20.664 4.711 1.00 16.05 H new ATOM 0 HG13 ILE A 93 23.458 -21.514 4.768 1.00 16.05 H new ATOM 0 HG21 ILE A 93 22.951 -18.471 2.972 1.00 15.90 H new ATOM 0 HG22 ILE A 93 22.699 -19.138 1.557 1.00 15.90 H new ATOM 0 HG23 ILE A 93 21.626 -19.299 2.711 1.00 15.90 H new ATOM 0 HD11 ILE A 93 23.632 -19.717 6.213 1.00 16.56 H new ATOM 0 HD12 ILE A 93 24.718 -19.577 5.069 1.00 16.56 H new ATOM 0 HD13 ILE A 93 23.391 -18.715 5.011 1.00 16.56 H new ATOM 727 N SER A 94 22.003 -21.771 -0.051 1.00 17.35 N ATOM 728 CA SER A 94 22.163 -21.817 -1.496 1.00 19.89 C ATOM 729 C SER A 94 21.878 -20.451 -2.085 1.00 20.70 C ATOM 730 O SER A 94 20.903 -19.796 -1.705 1.00 20.72 O ATOM 731 CB SER A 94 21.216 -22.833 -2.131 1.00 19.98 C ATOM 732 OG SER A 94 21.706 -24.147 -1.975 1.00 32.65 O ATOM 0 H SER A 94 21.182 -21.769 0.206 1.00 17.35 H new ATOM 0 HA SER A 94 23.076 -22.084 -1.684 1.00 19.89 H new ATOM 0 HB2 SER A 94 20.339 -22.761 -1.724 1.00 19.98 H new ATOM 0 HB3 SER A 94 21.108 -22.634 -3.074 1.00 19.98 H new ATOM 0 HG SER A 94 21.171 -24.690 -2.329 1.00 32.65 H new ATOM 733 N VAL A 95 22.719 -20.037 -3.028 1.00 19.08 N ATOM 734 CA VAL A 95 22.533 -18.774 -3.728 1.00 20.91 C ATOM 735 C VAL A 95 21.730 -19.076 -4.991 1.00 21.86 C ATOM 736 O VAL A 95 22.254 -19.630 -5.952 1.00 20.97 O ATOM 737 CB VAL A 95 23.870 -18.107 -4.048 1.00 22.95 C ATOM 738 CG1 VAL A 95 23.649 -16.739 -4.679 1.00 22.30 C ATOM 739 CG2 VAL A 95 24.711 -17.990 -2.793 1.00 17.89 C ATOM 0 H VAL A 95 23.412 -20.481 -3.279 1.00 19.08 H new ATOM 0 HA VAL A 95 22.054 -18.142 -3.169 1.00 20.91 H new ATOM 0 HB VAL A 95 24.347 -18.660 -4.687 1.00 22.95 H new ATOM 0 HG11 VAL A 95 24.507 -16.331 -4.875 1.00 22.30 H new ATOM 0 HG12 VAL A 95 23.144 -16.839 -5.501 1.00 22.30 H new ATOM 0 HG13 VAL A 95 23.156 -16.174 -4.063 1.00 22.30 H new ATOM 0 HG21 VAL A 95 25.556 -17.566 -3.008 1.00 17.89 H new ATOM 0 HG22 VAL A 95 24.239 -17.455 -2.136 1.00 17.89 H new ATOM 0 HG23 VAL A 95 24.877 -18.874 -2.431 1.00 17.89 H new ATOM 740 N LEU A 96 20.451 -18.724 -4.981 1.00 23.89 N ATOM 741 CA LEU A 96 19.585 -18.823 -6.151 1.00 21.03 C ATOM 742 C LEU A 96 19.542 -17.483 -6.867 1.00 23.08 C ATOM 743 O LEU A 96 20.072 -16.488 -6.374 1.00 22.41 O ATOM 744 CB LEU A 96 18.190 -19.268 -5.718 1.00 23.11 C ATOM 745 CG LEU A 96 18.143 -20.518 -4.836 1.00 27.21 C ATOM 746 CD1 LEU A 96 16.703 -20.895 -4.517 1.00 24.84 C ATOM 747 CD2 LEU A 96 18.868 -21.664 -5.534 1.00 26.91 C ATOM 0 H LEU A 96 20.054 -18.416 -4.283 1.00 23.89 H new ATOM 0 HA LEU A 96 19.935 -19.484 -6.768 1.00 21.03 H new ATOM 0 HB2 LEU A 96 17.768 -18.537 -5.240 1.00 23.11 H new ATOM 0 HB3 LEU A 96 17.658 -19.431 -6.513 1.00 23.11 H new ATOM 0 HG LEU A 96 18.591 -20.332 -3.996 1.00 27.21 H new ATOM 0 HD11 LEU A 96 16.692 -21.688 -3.958 1.00 24.84 H new ATOM 0 HD12 LEU A 96 16.273 -20.163 -4.047 1.00 24.84 H new ATOM 0 HD13 LEU A 96 16.225 -21.075 -5.342 1.00 24.84 H new ATOM 0 HD21 LEU A 96 18.837 -22.455 -4.974 1.00 26.91 H new ATOM 0 HD22 LEU A 96 18.436 -21.852 -6.382 1.00 26.91 H new ATOM 0 HD23 LEU A 96 19.792 -21.415 -5.691 1.00 26.91 H new ATOM 748 N PRO A 97 18.946 -17.411 -8.061 1.00 24.70 N ATOM 749 CA PRO A 97 18.966 -16.126 -8.780 1.00 26.01 C ATOM 750 C PRO A 97 18.255 -15.016 -8.041 1.00 24.55 C ATOM 751 O PRO A 97 18.663 -13.855 -8.133 1.00 26.41 O ATOM 752 CB PRO A 97 18.269 -16.455 -10.108 1.00 25.50 C ATOM 753 CG PRO A 97 18.517 -17.886 -10.312 1.00 25.22 C ATOM 754 CD PRO A 97 18.453 -18.497 -8.931 1.00 26.54 C ATOM 0 HA PRO A 97 19.868 -15.787 -8.888 1.00 26.01 H new ATOM 0 HB2 PRO A 97 17.319 -16.264 -10.064 1.00 25.50 H new ATOM 0 HB3 PRO A 97 18.631 -15.927 -10.837 1.00 25.50 H new ATOM 0 HG2 PRO A 97 17.852 -18.277 -10.900 1.00 25.22 H new ATOM 0 HG3 PRO A 97 19.383 -18.037 -10.723 1.00 25.22 H new ATOM 0 HD2 PRO A 97 17.550 -18.762 -8.697 1.00 26.54 H new ATOM 0 HD3 PRO A 97 19.007 -19.290 -8.864 1.00 26.54 H new ATOM 755 N ASP A 98 17.203 -15.330 -7.302 1.00 23.37 N ATOM 756 CA ASP A 98 16.415 -14.290 -6.671 1.00 25.12 C ATOM 757 C ASP A 98 16.579 -14.213 -5.157 1.00 23.43 C ATOM 758 O ASP A 98 16.160 -13.212 -4.566 1.00 21.88 O ATOM 759 CB ASP A 98 14.923 -14.452 -7.047 1.00 28.78 C ATOM 760 CG ASP A 98 14.422 -15.903 -6.948 1.00 37.35 C ATOM 761 OD1 ASP A 98 15.261 -16.838 -6.970 1.00 45.80 O ATOM 762 OD2 ASP A 98 13.182 -16.114 -6.886 1.00 39.74 O ATOM 0 H ASP A 98 16.931 -16.133 -7.155 1.00 23.37 H new ATOM 0 HA ASP A 98 16.756 -13.449 -7.014 1.00 25.12 H new ATOM 0 HB2 ASP A 98 14.387 -13.891 -6.465 1.00 28.78 H new ATOM 0 HB3 ASP A 98 14.788 -14.131 -7.952 1.00 28.78 H new ATOM 763 N LYS A 99 17.212 -15.197 -4.520 1.00 22.06 N ATOM 764 CA LYS A 99 17.191 -15.244 -3.063 1.00 21.55 C ATOM 765 C LYS A 99 18.202 -16.256 -2.540 1.00 19.83 C ATOM 766 O LYS A 99 18.699 -17.112 -3.275 1.00 19.21 O ATOM 767 CB LYS A 99 15.792 -15.611 -2.553 1.00 21.33 C ATOM 768 CG LYS A 99 15.385 -17.042 -2.919 1.00 23.25 C ATOM 769 CD LYS A 99 13.866 -17.233 -2.946 1.00 24.44 C ATOM 770 CE LYS A 99 13.356 -17.761 -4.277 1.00 28.90 C ATOM 771 NZ LYS A 99 11.967 -18.291 -4.170 1.00 27.04 N ATOM 0 H LYS A 99 17.649 -15.831 -4.903 1.00 22.06 H new ATOM 0 HA LYS A 99 17.428 -14.362 -2.736 1.00 21.55 H new ATOM 0 HB2 LYS A 99 15.766 -15.508 -1.589 1.00 21.33 H new ATOM 0 HB3 LYS A 99 15.144 -14.990 -2.922 1.00 21.33 H new ATOM 0 HG2 LYS A 99 15.751 -17.267 -3.789 1.00 23.25 H new ATOM 0 HG3 LYS A 99 15.774 -17.659 -2.279 1.00 23.25 H new ATOM 0 HD2 LYS A 99 13.610 -17.848 -2.241 1.00 24.44 H new ATOM 0 HD3 LYS A 99 13.435 -16.385 -2.754 1.00 24.44 H new ATOM 0 HE2 LYS A 99 13.381 -17.051 -4.937 1.00 28.90 H new ATOM 0 HE3 LYS A 99 13.946 -18.463 -4.593 1.00 28.90 H new ATOM 0 HZ1 LYS A 99 11.701 -18.591 -4.965 1.00 27.04 H new ATOM 0 HZ2 LYS A 99 11.948 -18.957 -3.580 1.00 27.04 H new ATOM 0 HZ3 LYS A 99 11.421 -17.642 -3.901 1.00 27.04 H new ATOM 772 N TYR A 100 18.485 -16.150 -1.245 1.00 17.76 N ATOM 773 CA TYR A 100 19.134 -17.227 -0.520 1.00 18.79 C ATOM 774 C TYR A 100 18.076 -18.207 -0.047 1.00 19.18 C ATOM 775 O TYR A 100 16.980 -17.810 0.339 1.00 18.73 O ATOM 776 CB TYR A 100 19.911 -16.695 0.689 1.00 17.29 C ATOM 777 CG TYR A 100 21.019 -15.739 0.335 1.00 15.07 C ATOM 778 CD1 TYR A 100 22.203 -16.203 -0.223 1.00 15.40 C ATOM 779 CD2 TYR A 100 20.878 -14.372 0.552 1.00 16.74 C ATOM 780 CE1 TYR A 100 23.221 -15.335 -0.559 1.00 19.08 C ATOM 781 CE2 TYR A 100 21.889 -13.486 0.220 1.00 17.12 C ATOM 782 CZ TYR A 100 23.065 -13.977 -0.338 1.00 19.76 C ATOM 783 OH TYR A 100 24.087 -13.113 -0.679 1.00 19.40 O ATOM 0 H TYR A 100 18.307 -15.457 -0.769 1.00 17.76 H new ATOM 0 HA TYR A 100 19.764 -17.665 -1.114 1.00 18.79 H new ATOM 0 HB2 TYR A 100 19.292 -16.250 1.289 1.00 17.29 H new ATOM 0 HB3 TYR A 100 20.287 -17.445 1.175 1.00 17.29 H new ATOM 0 HD1 TYR A 100 22.311 -17.114 -0.373 1.00 15.40 H new ATOM 0 HD2 TYR A 100 20.091 -14.048 0.927 1.00 16.74 H new ATOM 0 HE1 TYR A 100 24.008 -15.660 -0.932 1.00 19.08 H new ATOM 0 HE2 TYR A 100 21.783 -12.574 0.368 1.00 17.12 H new ATOM 0 HH TYR A 100 24.514 -13.427 -1.330 1.00 19.40 H new ATOM 784 N GLN A 101 18.406 -19.492 -0.090 1.00 21.18 N ATOM 785 CA GLN A 101 17.558 -20.540 0.460 1.00 19.14 C ATOM 786 C GLN A 101 18.355 -21.275 1.523 1.00 18.42 C ATOM 787 O GLN A 101 19.464 -21.748 1.250 1.00 19.13 O ATOM 788 CB GLN A 101 17.087 -21.507 -0.629 1.00 20.18 C ATOM 789 CG GLN A 101 16.351 -22.711 -0.062 1.00 20.85 C ATOM 790 CD GLN A 101 15.652 -23.526 -1.128 1.00 24.10 C ATOM 791 OE1 GLN A 101 14.489 -23.912 -0.972 1.00 27.17 O ATOM 792 NE2 GLN A 101 16.355 -23.801 -2.211 1.00 19.02 N ATOM 0 H GLN A 101 19.135 -19.782 -0.442 1.00 21.18 H new ATOM 0 HA GLN A 101 16.761 -20.145 0.848 1.00 19.14 H new ATOM 0 HB2 GLN A 101 16.504 -21.036 -1.245 1.00 20.18 H new ATOM 0 HB3 GLN A 101 17.853 -21.812 -1.140 1.00 20.18 H new ATOM 0 HG2 GLN A 101 16.981 -23.277 0.411 1.00 20.85 H new ATOM 0 HG3 GLN A 101 15.698 -22.409 0.588 1.00 20.85 H new ATOM 0 HE21 GLN A 101 17.163 -23.515 -2.284 1.00 19.02 H new ATOM 0 HE22 GLN A 101 16.005 -24.267 -2.844 1.00 19.02 H new ATOM 793 N VAL A 102 17.795 -21.366 2.724 1.00 19.32 N ATOM 794 CA VAL A 102 18.479 -21.939 3.874 1.00 18.52 C ATOM 795 C VAL A 102 17.842 -23.288 4.161 1.00 20.17 C ATOM 796 O VAL A 102 16.680 -23.361 4.575 1.00 21.68 O ATOM 797 CB VAL A 102 18.399 -21.020 5.102 1.00 18.95 C ATOM 798 CG1 VAL A 102 19.188 -21.605 6.266 1.00 18.11 C ATOM 799 CG2 VAL A 102 18.896 -19.630 4.769 1.00 17.25 C ATOM 0 H VAL A 102 16.998 -21.093 2.895 1.00 19.32 H new ATOM 0 HA VAL A 102 19.423 -22.043 3.675 1.00 18.52 H new ATOM 0 HB VAL A 102 17.468 -20.954 5.367 1.00 18.95 H new ATOM 0 HG11 VAL A 102 19.125 -21.011 7.030 1.00 18.11 H new ATOM 0 HG12 VAL A 102 18.824 -22.473 6.500 1.00 18.11 H new ATOM 0 HG13 VAL A 102 20.118 -21.704 6.009 1.00 18.11 H new ATOM 0 HG21 VAL A 102 18.837 -19.068 5.557 1.00 17.25 H new ATOM 0 HG22 VAL A 102 19.819 -19.678 4.475 1.00 17.25 H new ATOM 0 HG23 VAL A 102 18.351 -19.252 4.061 1.00 17.25 H new ATOM 800 N MET A 103 18.604 -24.354 3.952 1.00 18.75 N ATOM 801 CA MET A 103 18.212 -25.698 4.344 1.00 19.47 C ATOM 802 C MET A 103 18.801 -26.028 5.713 1.00 20.85 C ATOM 803 O MET A 103 19.973 -25.744 5.988 1.00 19.91 O ATOM 804 CB MET A 103 18.687 -26.727 3.315 1.00 19.62 C ATOM 805 CG MET A 103 18.561 -26.267 1.881 1.00 21.45 C ATOM 806 SD MET A 103 16.863 -26.414 1.302 1.00 25.37 S ATOM 807 CE MET A 103 16.719 -28.203 1.228 1.00 23.04 C ATOM 0 H MET A 103 19.375 -24.315 3.573 1.00 18.75 H new ATOM 0 HA MET A 103 17.244 -25.734 4.389 1.00 19.47 H new ATOM 0 HB2 MET A 103 19.615 -26.945 3.494 1.00 19.62 H new ATOM 0 HB3 MET A 103 18.176 -27.544 3.429 1.00 19.62 H new ATOM 0 HG2 MET A 103 18.853 -25.345 1.807 1.00 21.45 H new ATOM 0 HG3 MET A 103 19.146 -26.796 1.316 1.00 21.45 H new ATOM 0 HE1 MET A 103 16.081 -28.448 0.540 1.00 23.04 H new ATOM 0 HE2 MET A 103 17.584 -28.589 1.019 1.00 23.04 H new ATOM 0 HE3 MET A 103 16.414 -28.539 2.085 1.00 23.04 H new ATOM 808 N VAL A 104 17.981 -26.621 6.576 1.00 21.20 N ATOM 809 CA VAL A 104 18.416 -27.076 7.890 1.00 17.91 C ATOM 810 C VAL A 104 18.151 -28.567 7.968 1.00 19.00 C ATOM 811 O VAL A 104 16.996 -29.004 7.895 1.00 19.84 O ATOM 812 CB VAL A 104 17.699 -26.336 9.021 1.00 16.41 C ATOM 813 CG1 VAL A 104 18.215 -26.829 10.381 1.00 20.07 C ATOM 814 CG2 VAL A 104 17.903 -24.847 8.866 1.00 17.06 C ATOM 0 H VAL A 104 17.150 -26.771 6.413 1.00 21.20 H new ATOM 0 HA VAL A 104 19.361 -26.888 8.002 1.00 17.91 H new ATOM 0 HB VAL A 104 16.747 -26.519 8.977 1.00 16.41 H new ATOM 0 HG11 VAL A 104 17.756 -26.356 11.092 1.00 20.07 H new ATOM 0 HG12 VAL A 104 18.047 -27.781 10.466 1.00 20.07 H new ATOM 0 HG13 VAL A 104 19.168 -26.663 10.445 1.00 20.07 H new ATOM 0 HG21 VAL A 104 17.447 -24.381 9.584 1.00 17.06 H new ATOM 0 HG22 VAL A 104 18.851 -24.645 8.900 1.00 17.06 H new ATOM 0 HG23 VAL A 104 17.542 -24.558 8.013 1.00 17.06 H new ATOM 815 N ASN A 105 19.219 -29.344 8.109 1.00 19.61 N ATOM 816 CA ASN A 105 19.126 -30.798 8.170 1.00 20.74 C ATOM 817 C ASN A 105 18.353 -31.340 6.975 1.00 20.71 C ATOM 818 O ASN A 105 17.549 -32.262 7.098 1.00 22.82 O ATOM 819 CB ASN A 105 18.497 -31.266 9.487 1.00 23.11 C ATOM 820 CG ASN A 105 19.272 -30.786 10.703 1.00 22.37 C ATOM 821 OD1 ASN A 105 20.498 -30.704 10.680 1.00 19.98 O ATOM 822 ND2 ASN A 105 18.551 -30.449 11.767 1.00 22.40 N ATOM 0 H ASN A 105 20.022 -29.042 8.172 1.00 19.61 H new ATOM 0 HA ASN A 105 20.028 -31.153 8.135 1.00 20.74 H new ATOM 0 HB2 ASN A 105 17.584 -30.942 9.540 1.00 23.11 H new ATOM 0 HB3 ASN A 105 18.455 -32.235 9.496 1.00 23.11 H new ATOM 0 HD21 ASN A 105 18.941 -30.160 12.477 1.00 22.40 H new ATOM 0 HD22 ASN A 105 17.694 -30.520 11.746 1.00 22.40 H new ATOM 823 N GLY A 106 18.596 -30.750 5.803 1.00 21.14 N ATOM 824 CA GLY A 106 17.991 -31.179 4.554 1.00 21.92 C ATOM 825 C GLY A 106 16.633 -30.590 4.245 1.00 23.58 C ATOM 826 O GLY A 106 16.072 -30.889 3.183 1.00 25.62 O ATOM 0 H GLY A 106 19.127 -30.079 5.716 1.00 21.14 H new ATOM 0 HA2 GLY A 106 18.595 -30.956 3.828 1.00 21.92 H new ATOM 0 HA3 GLY A 106 17.910 -32.146 4.568 1.00 21.92 H new ATOM 827 N GLN A 107 16.097 -29.754 5.121 1.00 19.60 N ATOM 828 CA GLN A 107 14.726 -29.273 5.026 1.00 22.19 C ATOM 829 C GLN A 107 14.746 -27.774 4.761 1.00 22.03 C ATOM 830 O GLN A 107 15.385 -27.014 5.499 1.00 21.03 O ATOM 831 CB GLN A 107 13.958 -29.592 6.314 1.00 25.87 C ATOM 832 CG GLN A 107 12.623 -28.898 6.453 1.00 27.45 C ATOM 833 CD GLN A 107 12.037 -29.022 7.855 1.00 31.16 C ATOM 834 OE1 GLN A 107 12.700 -29.476 8.787 1.00 30.28 O ATOM 835 NE2 GLN A 107 10.784 -28.614 8.006 1.00 37.67 N ATOM 0 H GLN A 107 16.526 -29.444 5.799 1.00 19.60 H new ATOM 0 HA GLN A 107 14.272 -29.719 4.294 1.00 22.19 H new ATOM 0 HB2 GLN A 107 13.815 -30.550 6.360 1.00 25.87 H new ATOM 0 HB3 GLN A 107 14.512 -29.351 7.073 1.00 25.87 H new ATOM 0 HG2 GLN A 107 12.726 -27.959 6.232 1.00 27.45 H new ATOM 0 HG3 GLN A 107 11.999 -29.273 5.812 1.00 27.45 H new ATOM 0 HE21 GLN A 107 10.349 -28.302 7.333 1.00 37.67 H new ATOM 0 HE22 GLN A 107 10.406 -28.662 8.777 1.00 37.67 H new ATOM 836 N SER A 108 14.050 -27.352 3.708 1.00 22.92 N ATOM 837 CA SER A 108 13.953 -25.931 3.402 1.00 21.36 C ATOM 838 C SER A 108 13.277 -25.208 4.565 1.00 19.52 C ATOM 839 O SER A 108 12.200 -25.612 5.015 1.00 19.60 O ATOM 840 CB SER A 108 13.184 -25.734 2.089 1.00 20.86 C ATOM 841 OG SER A 108 13.125 -24.376 1.716 1.00 19.11 O ATOM 0 H SER A 108 13.630 -27.869 3.163 1.00 22.92 H new ATOM 0 HA SER A 108 14.839 -25.554 3.285 1.00 21.36 H new ATOM 0 HB2 SER A 108 13.612 -26.245 1.384 1.00 20.86 H new ATOM 0 HB3 SER A 108 12.284 -26.082 2.186 1.00 20.86 H new ATOM 0 HG SER A 108 13.519 -24.269 0.982 1.00 19.11 H new ATOM 842 N SER A 109 13.925 -24.148 5.066 1.00 18.55 N ATOM 843 CA SER A 109 13.501 -23.541 6.325 1.00 19.66 C ATOM 844 C SER A 109 13.347 -22.022 6.278 1.00 19.82 C ATOM 845 O SER A 109 12.536 -21.462 7.021 1.00 18.52 O ATOM 846 CB SER A 109 14.495 -23.914 7.426 1.00 18.26 C ATOM 847 OG SER A 109 14.653 -25.316 7.503 1.00 19.71 O ATOM 0 H SER A 109 14.604 -23.773 4.694 1.00 18.55 H new ATOM 0 HA SER A 109 12.616 -23.894 6.507 1.00 19.66 H new ATOM 0 HB2 SER A 109 15.352 -23.497 7.249 1.00 18.26 H new ATOM 0 HB3 SER A 109 14.184 -23.572 8.279 1.00 18.26 H new ATOM 0 HG SER A 109 15.037 -25.593 6.809 1.00 19.71 H new ATOM 848 N TYR A 110 14.147 -21.336 5.460 1.00 18.45 N ATOM 849 CA TYR A 110 14.091 -19.879 5.379 1.00 18.80 C ATOM 850 C TYR A 110 14.558 -19.453 4.004 1.00 21.04 C ATOM 851 O TYR A 110 15.424 -20.101 3.415 1.00 22.25 O ATOM 852 CB TYR A 110 14.975 -19.177 6.422 1.00 19.88 C ATOM 853 CG TYR A 110 14.964 -19.823 7.770 1.00 17.60 C ATOM 854 CD1 TYR A 110 14.001 -19.483 8.701 1.00 21.15 C ATOM 855 CD2 TYR A 110 15.899 -20.793 8.106 1.00 18.40 C ATOM 856 CE1 TYR A 110 13.966 -20.075 9.947 1.00 18.90 C ATOM 857 CE2 TYR A 110 15.876 -21.396 9.349 1.00 19.09 C ATOM 858 CZ TYR A 110 14.902 -21.032 10.263 1.00 19.92 C ATOM 859 OH TYR A 110 14.869 -21.622 11.503 1.00 19.82 O ATOM 0 H TYR A 110 14.730 -21.699 4.943 1.00 18.45 H new ATOM 0 HA TYR A 110 13.172 -19.621 5.553 1.00 18.80 H new ATOM 0 HB2 TYR A 110 15.887 -19.153 6.094 1.00 19.88 H new ATOM 0 HB3 TYR A 110 14.682 -18.257 6.513 1.00 19.88 H new ATOM 0 HD1 TYR A 110 13.363 -18.842 8.483 1.00 21.15 H new ATOM 0 HD2 TYR A 110 16.548 -21.040 7.487 1.00 18.40 H new ATOM 0 HE1 TYR A 110 13.317 -19.830 10.566 1.00 18.90 H new ATOM 0 HE2 TYR A 110 16.509 -22.041 9.570 1.00 19.09 H new ATOM 0 HH TYR A 110 14.202 -21.341 11.929 1.00 19.82 H new ATOM 860 N THR A 111 13.979 -18.369 3.489 1.00 20.22 N ATOM 861 CA THR A 111 14.541 -17.697 2.323 1.00 20.17 C ATOM 862 C THR A 111 14.589 -16.198 2.577 1.00 18.84 C ATOM 863 O THR A 111 13.874 -15.664 3.423 1.00 21.50 O ATOM 864 CB THR A 111 13.786 -18.000 0.984 1.00 22.98 C ATOM 865 OG1 THR A 111 12.541 -17.294 0.924 1.00 25.02 O ATOM 866 CG2 THR A 111 13.567 -19.506 0.771 1.00 20.73 C ATOM 0 H THR A 111 13.263 -18.009 3.800 1.00 20.22 H new ATOM 0 HA THR A 111 15.436 -18.052 2.203 1.00 20.17 H new ATOM 0 HB THR A 111 14.353 -17.686 0.262 1.00 22.98 H new ATOM 0 HG1 THR A 111 12.549 -16.767 0.270 1.00 25.02 H new ATOM 0 HG21 THR A 111 13.098 -19.650 -0.066 1.00 20.73 H new ATOM 0 HG22 THR A 111 14.425 -19.957 0.742 1.00 20.73 H new ATOM 0 HG23 THR A 111 13.039 -19.863 1.502 1.00 20.73 H new ATOM 867 N PHE A 112 15.473 -15.538 1.831 1.00 18.88 N ATOM 868 CA PHE A 112 15.789 -14.125 2.017 1.00 18.33 C ATOM 869 C PHE A 112 16.113 -13.562 0.637 1.00 20.93 C ATOM 870 O PHE A 112 17.132 -13.926 0.040 1.00 19.33 O ATOM 871 CB PHE A 112 16.960 -13.959 2.984 1.00 16.78 C ATOM 872 CG PHE A 112 17.299 -12.534 3.292 1.00 18.53 C ATOM 873 CD1 PHE A 112 16.653 -11.866 4.311 1.00 19.04 C ATOM 874 CD2 PHE A 112 18.266 -11.864 2.564 1.00 15.77 C ATOM 875 CE1 PHE A 112 16.956 -10.553 4.593 1.00 19.25 C ATOM 876 CE2 PHE A 112 18.579 -10.551 2.852 1.00 17.38 C ATOM 877 CZ PHE A 112 17.923 -9.895 3.865 1.00 18.49 C ATOM 0 H PHE A 112 15.913 -15.907 1.191 1.00 18.88 H new ATOM 0 HA PHE A 112 15.042 -13.645 2.408 1.00 18.33 H new ATOM 0 HB2 PHE A 112 16.751 -14.418 3.812 1.00 16.78 H new ATOM 0 HB3 PHE A 112 17.742 -14.394 2.608 1.00 16.78 H new ATOM 0 HD1 PHE A 112 16.006 -12.307 4.813 1.00 19.04 H new ATOM 0 HD2 PHE A 112 18.709 -12.302 1.874 1.00 15.77 H new ATOM 0 HE1 PHE A 112 16.507 -10.109 5.276 1.00 19.25 H new ATOM 0 HE2 PHE A 112 19.234 -10.110 2.360 1.00 17.38 H new ATOM 0 HZ PHE A 112 18.131 -9.010 4.059 1.00 18.49 H new ATOM 878 N ASP A 113 15.244 -12.698 0.121 1.00 20.47 N ATOM 879 CA ASP A 113 15.432 -12.158 -1.218 1.00 21.97 C ATOM 880 C ASP A 113 16.685 -11.294 -1.283 1.00 23.14 C ATOM 881 O ASP A 113 16.990 -10.552 -0.345 1.00 21.98 O ATOM 882 CB ASP A 113 14.214 -11.334 -1.632 1.00 27.41 C ATOM 883 CG ASP A 113 13.080 -12.193 -2.176 1.00 29.12 C ATOM 884 OD1 ASP A 113 13.225 -13.434 -2.208 1.00 26.25 O ATOM 885 OD2 ASP A 113 12.042 -11.624 -2.573 1.00 34.83 O ATOM 0 H ASP A 113 14.542 -12.414 0.529 1.00 20.47 H new ATOM 0 HA ASP A 113 15.537 -12.902 -1.831 1.00 21.97 H new ATOM 0 HB2 ASP A 113 13.894 -10.830 -0.868 1.00 27.41 H new ATOM 0 HB3 ASP A 113 14.479 -10.689 -2.307 1.00 27.41 H new ATOM 886 N HIS A 114 17.409 -11.391 -2.402 1.00 19.81 N ATOM 887 CA HIS A 114 18.631 -10.613 -2.569 1.00 19.53 C ATOM 888 C HIS A 114 18.336 -9.123 -2.475 1.00 21.65 C ATOM 889 O HIS A 114 17.477 -8.601 -3.191 1.00 24.04 O ATOM 890 CB HIS A 114 19.296 -10.922 -3.910 1.00 21.21 C ATOM 891 CG HIS A 114 19.843 -12.309 -4.004 1.00 21.33 C ATOM 892 ND1 HIS A 114 20.680 -12.846 -3.049 1.00 19.66 N ATOM 893 CD2 HIS A 114 19.678 -13.270 -4.942 1.00 20.29 C ATOM 894 CE1 HIS A 114 20.995 -14.083 -3.385 1.00 21.32 C ATOM 895 NE2 HIS A 114 20.406 -14.363 -4.535 1.00 23.27 N ATOM 0 H HIS A 114 17.209 -11.897 -3.068 1.00 19.81 H new ATOM 0 HA HIS A 114 19.239 -10.861 -1.855 1.00 19.53 H new ATOM 0 HB2 HIS A 114 18.649 -10.789 -4.621 1.00 21.21 H new ATOM 0 HB3 HIS A 114 20.015 -10.288 -4.059 1.00 21.21 H new ATOM 0 HD2 HIS A 114 19.168 -13.204 -5.717 1.00 20.29 H new ATOM 0 HE1 HIS A 114 21.538 -14.659 -2.897 1.00 21.32 H new ATOM 0 HE2 HIS A 114 20.468 -15.108 -4.960 1.00 23.27 H new ATOM 896 N ARG A 115 19.035 -8.444 -1.565 1.00 21.41 N ATOM 897 CA ARG A 115 19.010 -6.989 -1.504 1.00 23.16 C ATOM 898 C ARG A 115 20.239 -6.358 -2.129 1.00 24.18 C ATOM 899 O ARG A 115 20.181 -5.204 -2.568 1.00 25.16 O ATOM 900 CB ARG A 115 18.902 -6.515 -0.058 1.00 21.76 C ATOM 901 CG ARG A 115 17.877 -7.287 0.754 1.00 26.27 C ATOM 902 CD ARG A 115 17.758 -6.760 2.164 1.00 18.97 C ATOM 903 NE ARG A 115 16.546 -7.252 2.803 1.00 20.27 N ATOM 904 CZ ARG A 115 16.212 -6.976 4.058 1.00 22.75 C ATOM 905 NH1 ARG A 115 17.004 -6.216 4.792 1.00 19.73 N ATOM 906 NH2 ARG A 115 15.092 -7.458 4.578 1.00 22.86 N ATOM 0 H ARG A 115 19.533 -8.815 -0.970 1.00 21.41 H new ATOM 0 HA ARG A 115 18.232 -6.709 -2.012 1.00 23.16 H new ATOM 0 HB2 ARG A 115 19.770 -6.596 0.368 1.00 21.76 H new ATOM 0 HB3 ARG A 115 18.669 -5.573 -0.050 1.00 21.76 H new ATOM 0 HG2 ARG A 115 17.013 -7.235 0.316 1.00 26.27 H new ATOM 0 HG3 ARG A 115 18.126 -8.224 0.780 1.00 26.27 H new ATOM 0 HD2 ARG A 115 18.533 -7.031 2.681 1.00 18.97 H new ATOM 0 HD3 ARG A 115 17.750 -5.790 2.151 1.00 18.97 H new ATOM 0 HE ARG A 115 16.017 -7.749 2.342 1.00 20.27 H new ATOM 0 HH11 ARG A 115 17.731 -5.903 4.457 1.00 19.73 H new ATOM 0 HH12 ARG A 115 16.792 -6.034 5.605 1.00 19.73 H new ATOM 0 HH21 ARG A 115 14.575 -7.954 4.102 1.00 22.86 H new ATOM 0 HH22 ARG A 115 14.882 -7.275 5.392 1.00 22.86 H new ATOM 907 N ILE A 116 21.349 -7.089 -2.140 1.00 24.03 N ATOM 908 CA ILE A 116 22.602 -6.688 -2.761 1.00 21.75 C ATOM 909 C ILE A 116 23.074 -7.893 -3.547 1.00 23.28 C ATOM 910 O ILE A 116 22.860 -9.032 -3.116 1.00 22.68 O ATOM 911 CB ILE A 116 23.644 -6.266 -1.704 1.00 21.36 C ATOM 912 CG1 ILE A 116 23.135 -5.050 -0.933 1.00 22.20 C ATOM 913 CG2 ILE A 116 24.996 -5.978 -2.343 1.00 21.64 C ATOM 914 CD1 ILE A 116 23.821 -4.842 0.386 1.00 21.83 C ATOM 0 H ILE A 116 21.392 -7.864 -1.770 1.00 24.03 H new ATOM 0 HA ILE A 116 22.480 -5.915 -3.335 1.00 21.75 H new ATOM 0 HB ILE A 116 23.769 -7.002 -1.084 1.00 21.36 H new ATOM 0 HG12 ILE A 116 23.254 -4.257 -1.479 1.00 22.20 H new ATOM 0 HG13 ILE A 116 22.182 -5.149 -0.781 1.00 22.20 H new ATOM 0 HG21 ILE A 116 25.629 -5.716 -1.657 1.00 21.64 H new ATOM 0 HG22 ILE A 116 25.318 -6.775 -2.792 1.00 21.64 H new ATOM 0 HG23 ILE A 116 24.903 -5.259 -2.988 1.00 21.64 H new ATOM 0 HD11 ILE A 116 23.453 -4.058 0.822 1.00 21.83 H new ATOM 0 HD12 ILE A 116 23.683 -5.620 0.949 1.00 21.83 H new ATOM 0 HD13 ILE A 116 24.771 -4.714 0.240 1.00 21.83 H new ATOM 915 N LYS A 117 23.675 -7.658 -4.707 1.00 18.84 N ATOM 916 CA LYS A 117 24.114 -8.776 -5.527 1.00 21.30 C ATOM 917 C LYS A 117 25.050 -9.668 -4.714 1.00 21.03 C ATOM 918 O LYS A 117 25.931 -9.158 -4.005 1.00 19.90 O ATOM 919 CB LYS A 117 24.817 -8.289 -6.794 1.00 23.36 C ATOM 920 CG LYS A 117 26.038 -7.411 -6.555 1.00 26.01 C ATOM 921 CD LYS A 117 26.313 -6.509 -7.750 1.00 31.66 C ATOM 922 CE LYS A 117 27.729 -5.946 -7.695 1.00 32.10 C ATOM 923 NZ LYS A 117 28.584 -6.504 -8.789 1.00 40.72 N ATOM 0 H LYS A 117 23.835 -6.878 -5.031 1.00 18.84 H new ATOM 0 HA LYS A 117 23.334 -9.285 -5.797 1.00 21.30 H new ATOM 0 HB2 LYS A 117 25.088 -9.061 -7.315 1.00 23.36 H new ATOM 0 HB3 LYS A 117 24.179 -7.794 -7.332 1.00 23.36 H new ATOM 0 HG2 LYS A 117 25.899 -6.869 -5.763 1.00 26.01 H new ATOM 0 HG3 LYS A 117 26.812 -7.970 -6.384 1.00 26.01 H new ATOM 0 HD2 LYS A 117 26.192 -7.010 -8.572 1.00 31.66 H new ATOM 0 HD3 LYS A 117 25.672 -5.781 -7.764 1.00 31.66 H new ATOM 0 HE2 LYS A 117 27.697 -4.979 -7.769 1.00 32.10 H new ATOM 0 HE3 LYS A 117 28.127 -6.152 -6.835 1.00 32.10 H new ATOM 0 HZ1 LYS A 117 29.402 -6.159 -8.732 1.00 40.72 H new ATOM 0 HZ2 LYS A 117 28.630 -7.389 -8.708 1.00 40.72 H new ATOM 0 HZ3 LYS A 117 28.229 -6.297 -9.578 1.00 40.72 H new ATOM 924 N PRO A 118 24.879 -10.988 -4.766 1.00 20.75 N ATOM 925 CA PRO A 118 25.805 -11.877 -4.047 1.00 21.08 C ATOM 926 C PRO A 118 27.249 -11.706 -4.467 1.00 20.27 C ATOM 927 O PRO A 118 28.148 -12.082 -3.705 1.00 20.07 O ATOM 928 CB PRO A 118 25.287 -13.280 -4.393 1.00 19.34 C ATOM 929 CG PRO A 118 24.451 -13.094 -5.620 1.00 24.25 C ATOM 930 CD PRO A 118 23.853 -11.731 -5.513 1.00 23.21 C ATOM 0 HA PRO A 118 25.817 -11.688 -3.096 1.00 21.08 H new ATOM 0 HB2 PRO A 118 26.020 -13.894 -4.557 1.00 19.34 H new ATOM 0 HB3 PRO A 118 24.764 -13.651 -3.665 1.00 19.34 H new ATOM 0 HG2 PRO A 118 24.990 -13.174 -6.422 1.00 24.25 H new ATOM 0 HG3 PRO A 118 23.760 -13.772 -5.674 1.00 24.25 H new ATOM 0 HD2 PRO A 118 23.688 -11.340 -6.385 1.00 23.21 H new ATOM 0 HD3 PRO A 118 23.004 -11.745 -5.043 1.00 23.21 H new ATOM 931 N GLU A 119 27.509 -11.139 -5.647 1.00 19.41 N ATOM 932 CA GLU A 119 28.883 -10.901 -6.058 1.00 18.83 C ATOM 933 C GLU A 119 29.572 -9.857 -5.188 1.00 20.24 C ATOM 934 O GLU A 119 30.798 -9.718 -5.268 1.00 19.68 O ATOM 935 CB GLU A 119 28.905 -10.494 -7.529 1.00 21.49 C ATOM 936 CG GLU A 119 28.591 -11.656 -8.496 1.00 23.12 C ATOM 937 CD GLU A 119 27.093 -11.958 -8.643 1.00 27.51 C ATOM 938 OE1 GLU A 119 26.263 -11.176 -8.128 1.00 26.95 O ATOM 939 OE2 GLU A 119 26.744 -12.993 -9.271 1.00 33.35 O ATOM 0 H GLU A 119 26.911 -10.890 -6.213 1.00 19.41 H new ATOM 0 HA GLU A 119 29.383 -11.724 -5.943 1.00 18.83 H new ATOM 0 HB2 GLU A 119 28.261 -9.783 -7.670 1.00 21.49 H new ATOM 0 HB3 GLU A 119 29.779 -10.132 -7.744 1.00 21.49 H new ATOM 0 HG2 GLU A 119 28.956 -11.445 -9.370 1.00 23.12 H new ATOM 0 HG3 GLU A 119 29.044 -12.455 -8.184 1.00 23.12 H new ATOM 940 N ALA A 120 28.821 -9.143 -4.342 1.00 18.83 N ATOM 941 CA ALA A 120 29.413 -8.168 -3.439 1.00 17.42 C ATOM 942 C ALA A 120 30.070 -8.820 -2.237 1.00 18.05 C ATOM 943 O ALA A 120 30.858 -8.161 -1.550 1.00 18.31 O ATOM 944 CB ALA A 120 28.355 -7.173 -2.965 1.00 13.89 C ATOM 0 H ALA A 120 27.966 -9.213 -4.280 1.00 18.83 H new ATOM 0 HA ALA A 120 30.103 -7.703 -3.938 1.00 17.42 H new ATOM 0 HB1 ALA A 120 28.762 -6.529 -2.364 1.00 13.89 H new ATOM 0 HB2 ALA A 120 27.981 -6.709 -3.730 1.00 13.89 H new ATOM 0 HB3 ALA A 120 27.649 -7.648 -2.499 1.00 13.89 H new ATOM 945 N VAL A 121 29.773 -10.097 -1.983 1.00 18.28 N ATOM 946 CA VAL A 121 30.308 -10.802 -0.824 1.00 17.99 C ATOM 947 C VAL A 121 31.796 -11.074 -1.014 1.00 19.82 C ATOM 948 O VAL A 121 32.227 -11.556 -2.071 1.00 18.06 O ATOM 949 CB VAL A 121 29.527 -12.105 -0.593 1.00 16.35 C ATOM 950 CG1 VAL A 121 30.130 -12.891 0.550 1.00 14.88 C ATOM 951 CG2 VAL A 121 28.060 -11.796 -0.299 1.00 16.75 C ATOM 0 H VAL A 121 29.257 -10.574 -2.478 1.00 18.28 H new ATOM 0 HA VAL A 121 30.205 -10.246 -0.036 1.00 17.99 H new ATOM 0 HB VAL A 121 29.581 -12.641 -1.399 1.00 16.35 H new ATOM 0 HG11 VAL A 121 29.626 -13.709 0.682 1.00 14.88 H new ATOM 0 HG12 VAL A 121 31.052 -13.110 0.342 1.00 14.88 H new ATOM 0 HG13 VAL A 121 30.100 -12.359 1.360 1.00 14.88 H new ATOM 0 HG21 VAL A 121 27.577 -12.625 -0.155 1.00 16.75 H new ATOM 0 HG22 VAL A 121 27.998 -11.244 0.496 1.00 16.75 H new ATOM 0 HG23 VAL A 121 27.672 -11.323 -1.051 1.00 16.75 H new ATOM 952 N LYS A 122 32.591 -10.770 0.019 1.00 17.37 N ATOM 953 CA LYS A 122 34.008 -11.097 0.040 1.00 17.96 C ATOM 954 C LYS A 122 34.428 -11.959 1.227 1.00 18.84 C ATOM 955 O LYS A 122 35.570 -12.437 1.248 1.00 17.63 O ATOM 956 CB LYS A 122 34.853 -9.815 0.037 1.00 21.94 C ATOM 957 CG LYS A 122 34.864 -9.054 -1.287 1.00 22.84 C ATOM 958 CD LYS A 122 35.855 -7.891 -1.216 1.00 25.87 C ATOM 959 CE LYS A 122 35.716 -6.957 -2.411 1.00 30.79 C ATOM 960 NZ LYS A 122 34.312 -6.450 -2.555 1.00 36.31 N ATOM 0 H LYS A 122 32.315 -10.367 0.727 1.00 17.37 H new ATOM 0 HA LYS A 122 34.165 -11.619 -0.763 1.00 17.96 H new ATOM 0 HB2 LYS A 122 34.523 -9.224 0.732 1.00 21.94 H new ATOM 0 HB3 LYS A 122 35.766 -10.045 0.270 1.00 21.94 H new ATOM 0 HG2 LYS A 122 35.108 -9.653 -2.010 1.00 22.84 H new ATOM 0 HG3 LYS A 122 33.975 -8.719 -1.483 1.00 22.84 H new ATOM 0 HD2 LYS A 122 35.710 -7.392 -0.397 1.00 25.87 H new ATOM 0 HD3 LYS A 122 36.760 -8.239 -1.180 1.00 25.87 H new ATOM 0 HE2 LYS A 122 36.323 -6.207 -2.309 1.00 30.79 H new ATOM 0 HE3 LYS A 122 35.977 -7.424 -3.220 1.00 30.79 H new ATOM 0 HZ1 LYS A 122 34.328 -5.618 -2.870 1.00 36.31 H new ATOM 0 HZ2 LYS A 122 33.864 -6.972 -3.120 1.00 36.31 H new ATOM 0 HZ3 LYS A 122 33.910 -6.459 -1.761 1.00 36.31 H new ATOM 961 N MET A 123 33.546 -12.180 2.202 1.00 21.16 N ATOM 962 CA MET A 123 33.884 -12.854 3.451 1.00 18.03 C ATOM 963 C MET A 123 32.611 -13.427 4.056 1.00 16.02 C ATOM 964 O MET A 123 31.534 -12.842 3.923 1.00 15.93 O ATOM 965 CB MET A 123 34.557 -11.888 4.438 1.00 18.26 C ATOM 966 CG MET A 123 34.906 -12.497 5.799 1.00 19.80 C ATOM 967 SD MET A 123 33.661 -12.216 7.085 1.00 18.83 S ATOM 968 CE MET A 123 34.134 -10.591 7.699 1.00 16.78 C ATOM 0 H MET A 123 32.722 -11.938 2.153 1.00 21.16 H new ATOM 0 HA MET A 123 34.514 -13.568 3.267 1.00 18.03 H new ATOM 0 HB2 MET A 123 35.370 -11.547 4.033 1.00 18.26 H new ATOM 0 HB3 MET A 123 33.970 -11.129 4.579 1.00 18.26 H new ATOM 0 HG2 MET A 123 35.033 -13.452 5.691 1.00 19.80 H new ATOM 0 HG3 MET A 123 35.753 -12.130 6.098 1.00 19.80 H new ATOM 0 HE1 MET A 123 33.579 -10.358 8.459 1.00 16.78 H new ATOM 0 HE2 MET A 123 35.065 -10.606 7.971 1.00 16.78 H new ATOM 0 HE3 MET A 123 34.014 -9.932 6.997 1.00 16.78 H new ATOM 969 N VAL A 124 32.749 -14.566 4.730 1.00 15.62 N ATOM 970 CA VAL A 124 31.675 -15.180 5.504 1.00 14.75 C ATOM 971 C VAL A 124 32.175 -15.365 6.927 1.00 19.15 C ATOM 972 O VAL A 124 33.284 -15.873 7.137 1.00 19.93 O ATOM 973 CB VAL A 124 31.245 -16.536 4.911 1.00 15.56 C ATOM 974 CG1 VAL A 124 30.290 -17.248 5.852 1.00 14.53 C ATOM 975 CG2 VAL A 124 30.617 -16.352 3.538 1.00 14.77 C ATOM 0 H VAL A 124 33.484 -15.012 4.750 1.00 15.62 H new ATOM 0 HA VAL A 124 30.895 -14.604 5.483 1.00 14.75 H new ATOM 0 HB VAL A 124 32.036 -17.087 4.805 1.00 15.56 H new ATOM 0 HG11 VAL A 124 30.029 -18.098 5.466 1.00 14.53 H new ATOM 0 HG12 VAL A 124 30.729 -17.401 6.703 1.00 14.53 H new ATOM 0 HG13 VAL A 124 29.502 -16.700 5.989 1.00 14.53 H new ATOM 0 HG21 VAL A 124 30.354 -17.216 3.184 1.00 14.77 H new ATOM 0 HG22 VAL A 124 29.835 -15.782 3.613 1.00 14.77 H new ATOM 0 HG23 VAL A 124 31.260 -15.940 2.940 1.00 14.77 H new ATOM 976 N GLN A 125 31.364 -14.973 7.908 1.00 15.36 N ATOM 977 CA GLN A 125 31.721 -15.214 9.300 1.00 16.38 C ATOM 978 C GLN A 125 30.629 -16.000 10.009 1.00 16.30 C ATOM 979 O GLN A 125 29.446 -15.647 9.916 1.00 14.96 O ATOM 980 CB GLN A 125 31.964 -13.917 10.050 1.00 15.79 C ATOM 981 CG GLN A 125 32.454 -14.196 11.450 1.00 20.53 C ATOM 982 CD GLN A 125 32.657 -12.950 12.261 1.00 22.35 C ATOM 983 OE1 GLN A 125 31.798 -12.070 12.297 1.00 21.56 O ATOM 984 NE2 GLN A 125 33.804 -12.860 12.926 1.00 28.66 N ATOM 0 H GLN A 125 30.613 -14.571 7.790 1.00 15.36 H new ATOM 0 HA GLN A 125 32.543 -15.729 9.295 1.00 16.38 H new ATOM 0 HB2 GLN A 125 32.617 -13.380 9.574 1.00 15.79 H new ATOM 0 HB3 GLN A 125 31.144 -13.400 10.086 1.00 15.79 H new ATOM 0 HG2 GLN A 125 31.816 -14.769 11.902 1.00 20.53 H new ATOM 0 HG3 GLN A 125 33.291 -14.685 11.403 1.00 20.53 H new ATOM 0 HE21 GLN A 125 34.381 -13.496 12.876 1.00 28.66 H new ATOM 0 HE22 GLN A 125 33.969 -12.166 13.406 1.00 28.66 H new ATOM 985 N VAL A 126 31.027 -17.045 10.737 1.00 14.84 N ATOM 986 CA VAL A 126 30.102 -17.872 11.507 1.00 16.14 C ATOM 987 C VAL A 126 30.513 -17.772 12.966 1.00 16.43 C ATOM 988 O VAL A 126 31.663 -18.074 13.306 1.00 16.77 O ATOM 989 CB VAL A 126 30.114 -19.334 11.039 1.00 15.76 C ATOM 990 CG1 VAL A 126 29.072 -20.130 11.786 1.00 14.57 C ATOM 991 CG2 VAL A 126 29.856 -19.422 9.553 1.00 14.78 C ATOM 0 H VAL A 126 31.848 -17.294 10.797 1.00 14.84 H new ATOM 0 HA VAL A 126 29.195 -17.553 11.379 1.00 16.14 H new ATOM 0 HB VAL A 126 30.991 -19.704 11.224 1.00 15.76 H new ATOM 0 HG11 VAL A 126 29.089 -21.051 11.482 1.00 14.57 H new ATOM 0 HG12 VAL A 126 29.262 -20.100 12.737 1.00 14.57 H new ATOM 0 HG13 VAL A 126 28.195 -19.751 11.620 1.00 14.57 H new ATOM 0 HG21 VAL A 126 29.867 -20.352 9.277 1.00 14.78 H new ATOM 0 HG22 VAL A 126 28.989 -19.036 9.351 1.00 14.78 H new ATOM 0 HG23 VAL A 126 30.545 -18.935 9.075 1.00 14.78 H new ATOM 992 N TRP A 127 29.595 -17.355 13.829 1.00 16.56 N ATOM 993 CA TRP A 127 30.009 -17.102 15.206 1.00 15.05 C ATOM 994 C TRP A 127 28.808 -17.207 16.142 1.00 17.77 C ATOM 995 O TRP A 127 27.723 -17.644 15.746 1.00 17.30 O ATOM 996 CB TRP A 127 30.711 -15.743 15.321 1.00 16.34 C ATOM 997 CG TRP A 127 29.876 -14.539 14.957 1.00 17.50 C ATOM 998 CD1 TRP A 127 29.234 -14.310 13.776 1.00 19.22 C ATOM 999 CD2 TRP A 127 29.629 -13.389 15.778 1.00 17.96 C ATOM 1000 NE1 TRP A 127 28.588 -13.096 13.816 1.00 18.54 N ATOM 1001 CE2 TRP A 127 28.819 -12.509 15.031 1.00 17.36 C ATOM 1002 CE3 TRP A 127 30.006 -13.026 17.078 1.00 18.14 C ATOM 1003 CZ2 TRP A 127 28.379 -11.288 15.534 1.00 16.18 C ATOM 1004 CZ3 TRP A 127 29.569 -11.806 17.582 1.00 18.51 C ATOM 1005 CH2 TRP A 127 28.760 -10.951 16.808 1.00 20.35 C ATOM 0 H TRP A 127 28.765 -17.217 13.652 1.00 16.56 H new ATOM 0 HA TRP A 127 30.652 -17.777 15.473 1.00 15.05 H new ATOM 0 HB2 TRP A 127 31.023 -15.635 16.233 1.00 16.34 H new ATOM 0 HB3 TRP A 127 31.497 -15.755 14.752 1.00 16.34 H new ATOM 0 HD1 TRP A 127 29.233 -14.890 13.049 1.00 19.22 H new ATOM 0 HE1 TRP A 127 28.116 -12.760 13.181 1.00 18.54 H new ATOM 0 HE3 TRP A 127 30.537 -13.589 17.593 1.00 18.14 H new ATOM 0 HZ2 TRP A 127 27.846 -10.721 15.025 1.00 16.18 H new ATOM 0 HZ3 TRP A 127 29.814 -11.551 18.442 1.00 18.51 H new ATOM 0 HH2 TRP A 127 28.478 -10.141 17.168 1.00 20.35 H new ATOM 1006 N ARG A 128 29.025 -16.785 17.395 1.00 16.61 N ATOM 1007 CA ARG A 128 28.146 -16.942 18.554 1.00 17.46 C ATOM 1008 C ARG A 128 28.248 -18.364 19.103 1.00 18.51 C ATOM 1009 O ARG A 128 29.322 -18.974 19.021 1.00 16.15 O ATOM 1010 CB ARG A 128 26.702 -16.540 18.236 1.00 17.32 C ATOM 1011 CG ARG A 128 26.608 -15.154 17.606 1.00 17.03 C ATOM 1012 CD ARG A 128 25.622 -14.287 18.331 1.00 19.83 C ATOM 1013 NE ARG A 128 25.365 -13.015 17.657 1.00 17.73 N ATOM 1014 CZ ARG A 128 25.667 -11.824 18.171 1.00 18.62 C ATOM 1015 NH1 ARG A 128 26.258 -11.735 19.360 1.00 16.15 N ATOM 1016 NH2 ARG A 128 25.373 -10.717 17.498 1.00 17.58 N ATOM 0 H ARG A 128 29.748 -16.367 17.601 1.00 16.61 H new ATOM 0 HA ARG A 128 28.444 -16.334 19.248 1.00 17.46 H new ATOM 0 HB2 ARG A 128 26.313 -17.193 17.634 1.00 17.32 H new ATOM 0 HB3 ARG A 128 26.177 -16.558 19.052 1.00 17.32 H new ATOM 0 HG2 ARG A 128 27.481 -14.732 17.617 1.00 17.03 H new ATOM 0 HG3 ARG A 128 26.345 -15.237 16.676 1.00 17.03 H new ATOM 0 HD2 ARG A 128 24.786 -14.770 18.427 1.00 19.83 H new ATOM 0 HD3 ARG A 128 25.952 -14.111 19.226 1.00 19.83 H new ATOM 0 HE ARG A 128 24.996 -13.037 16.881 1.00 17.73 H new ATOM 0 HH11 ARG A 128 26.447 -12.449 19.801 1.00 16.15 H new ATOM 0 HH12 ARG A 128 26.451 -10.964 19.688 1.00 16.15 H new ATOM 0 HH21 ARG A 128 24.988 -10.770 16.731 1.00 17.58 H new ATOM 0 HH22 ARG A 128 25.568 -9.948 17.829 1.00 17.58 H new ATOM 1017 N ASP A 129 27.167 -18.899 19.676 1.00 16.76 N ATOM 1018 CA ASP A 129 27.283 -19.989 20.655 1.00 18.92 C ATOM 1019 C ASP A 129 27.231 -21.370 19.997 1.00 18.29 C ATOM 1020 O ASP A 129 26.390 -22.210 20.317 1.00 17.73 O ATOM 1021 CB ASP A 129 26.200 -19.852 21.719 1.00 16.73 C ATOM 1022 CG ASP A 129 26.168 -18.471 22.328 1.00 19.08 C ATOM 1023 OD1 ASP A 129 27.203 -18.068 22.909 1.00 20.33 O ATOM 1024 OD2 ASP A 129 25.124 -17.787 22.221 1.00 18.21 O ATOM 0 H ASP A 129 26.361 -18.648 19.514 1.00 16.76 H new ATOM 0 HA ASP A 129 28.154 -19.914 21.076 1.00 18.92 H new ATOM 0 HB2 ASP A 129 25.336 -20.050 21.325 1.00 16.73 H new ATOM 0 HB3 ASP A 129 26.351 -20.508 22.417 1.00 16.73 H new ATOM 1025 N ILE A 130 28.182 -21.620 19.095 1.00 16.14 N ATOM 1026 CA ILE A 130 28.261 -22.902 18.403 1.00 20.33 C ATOM 1027 C ILE A 130 29.695 -23.417 18.388 1.00 21.45 C ATOM 1028 O ILE A 130 30.665 -22.650 18.426 1.00 20.81 O ATOM 1029 CB ILE A 130 27.742 -22.816 16.949 1.00 18.17 C ATOM 1030 CG1 ILE A 130 28.693 -21.961 16.117 1.00 15.15 C ATOM 1031 CG2 ILE A 130 26.333 -22.251 16.902 1.00 20.76 C ATOM 1032 CD1 ILE A 130 28.871 -22.480 14.783 1.00 26.97 C ATOM 0 H ILE A 130 28.792 -21.057 18.871 1.00 16.14 H new ATOM 0 HA ILE A 130 27.693 -23.517 18.893 1.00 20.33 H new ATOM 0 HB ILE A 130 27.710 -23.711 16.577 1.00 18.17 H new ATOM 0 HG12 ILE A 130 28.350 -21.055 16.066 1.00 15.15 H new ATOM 0 HG13 ILE A 130 29.554 -21.914 16.561 1.00 15.15 H new ATOM 0 HG21 ILE A 130 26.032 -22.208 15.981 1.00 20.76 H new ATOM 0 HG22 ILE A 130 25.737 -22.824 17.410 1.00 20.76 H new ATOM 0 HG23 ILE A 130 26.329 -21.360 17.285 1.00 20.76 H new ATOM 0 HD11 ILE A 130 29.481 -21.908 14.292 1.00 26.97 H new ATOM 0 HD12 ILE A 130 29.238 -23.377 14.831 1.00 26.97 H new ATOM 0 HD13 ILE A 130 28.015 -22.505 14.328 1.00 26.97 H new ATOM 1033 N SER A 131 29.823 -24.731 18.306 1.00 18.98 N ATOM 1034 CA SER A 131 31.043 -25.344 17.816 1.00 21.44 C ATOM 1035 C SER A 131 30.843 -25.712 16.348 1.00 21.13 C ATOM 1036 O SER A 131 29.719 -25.943 15.890 1.00 19.56 O ATOM 1037 CB SER A 131 31.405 -26.580 18.635 1.00 23.11 C ATOM 1038 OG SER A 131 30.413 -27.574 18.482 1.00 24.67 O ATOM 0 H SER A 131 29.209 -25.289 18.531 1.00 18.98 H new ATOM 0 HA SER A 131 31.777 -24.716 17.903 1.00 21.44 H new ATOM 0 HB2 SER A 131 32.265 -26.925 18.349 1.00 23.11 H new ATOM 0 HB3 SER A 131 31.492 -26.342 19.571 1.00 23.11 H new ATOM 0 HG SER A 131 30.603 -28.061 17.825 1.00 24.67 H new ATOM 1039 N LEU A 132 31.949 -25.765 15.614 1.00 21.36 N ATOM 1040 CA LEU A 132 31.935 -25.922 14.167 1.00 23.74 C ATOM 1041 C LEU A 132 32.787 -27.123 13.783 1.00 27.04 C ATOM 1042 O LEU A 132 33.935 -27.238 14.224 1.00 27.66 O ATOM 1043 CB LEU A 132 32.470 -24.646 13.512 1.00 25.12 C ATOM 1044 CG LEU A 132 31.818 -24.131 12.241 1.00 27.93 C ATOM 1045 CD1 LEU A 132 30.335 -24.031 12.485 1.00 25.66 C ATOM 1046 CD2 LEU A 132 32.410 -22.773 11.890 1.00 24.00 C ATOM 0 H LEU A 132 32.739 -25.710 15.948 1.00 21.36 H new ATOM 0 HA LEU A 132 31.028 -26.072 13.857 1.00 23.74 H new ATOM 0 HB2 LEU A 132 32.421 -23.937 14.172 1.00 25.12 H new ATOM 0 HB3 LEU A 132 33.410 -24.790 13.320 1.00 25.12 H new ATOM 0 HG LEU A 132 31.979 -24.731 11.496 1.00 27.93 H new ATOM 0 HD11 LEU A 132 29.897 -23.703 11.684 1.00 25.66 H new ATOM 0 HD12 LEU A 132 29.984 -24.907 12.710 1.00 25.66 H new ATOM 0 HD13 LEU A 132 30.168 -23.418 13.218 1.00 25.66 H new ATOM 0 HD21 LEU A 132 31.997 -22.440 11.078 1.00 24.00 H new ATOM 0 HD22 LEU A 132 32.245 -22.151 12.616 1.00 24.00 H new ATOM 0 HD23 LEU A 132 33.366 -22.862 11.752 1.00 24.00 H new ATOM 1047 N THR A 133 32.231 -28.020 12.968 1.00 26.90 N ATOM 1048 CA THR A 133 33.006 -29.140 12.451 1.00 27.20 C ATOM 1049 C THR A 133 33.260 -29.078 10.955 1.00 24.87 C ATOM 1050 O THR A 133 34.290 -29.577 10.500 1.00 25.91 O ATOM 1051 CB THR A 133 32.325 -30.475 12.774 1.00 28.34 C ATOM 1052 OG1 THR A 133 30.930 -30.395 12.468 1.00 29.40 O ATOM 1053 CG2 THR A 133 32.510 -30.818 14.244 1.00 34.04 C ATOM 0 H THR A 133 31.412 -27.996 12.706 1.00 26.90 H new ATOM 0 HA THR A 133 33.865 -29.075 12.897 1.00 27.20 H new ATOM 0 HB THR A 133 32.732 -31.172 12.235 1.00 28.34 H new ATOM 0 HG1 THR A 133 30.824 -29.967 11.753 1.00 29.40 H new ATOM 0 HG21 THR A 133 32.075 -31.664 14.436 1.00 34.04 H new ATOM 0 HG22 THR A 133 33.457 -30.889 14.443 1.00 34.04 H new ATOM 0 HG23 THR A 133 32.116 -30.121 14.791 1.00 34.04 H new ATOM 1054 N LYS A 134 32.372 -28.484 10.167 1.00 24.43 N ATOM 1055 CA LYS A 134 32.661 -28.326 8.748 1.00 22.77 C ATOM 1056 C LYS A 134 32.161 -26.976 8.269 1.00 22.06 C ATOM 1057 O LYS A 134 31.107 -26.501 8.703 1.00 21.86 O ATOM 1058 CB LYS A 134 32.032 -29.445 7.894 1.00 26.27 C ATOM 0 H LYS A 134 31.614 -28.172 10.426 1.00 24.43 H new ATOM 0 HA LYS A 134 33.623 -28.383 8.641 1.00 22.77 H new ATOM 1059 N PHE A 135 32.935 -26.361 7.379 1.00 20.58 N ATOM 1060 CA PHE A 135 32.531 -25.143 6.694 1.00 21.87 C ATOM 1061 C PHE A 135 32.999 -25.247 5.254 1.00 19.70 C ATOM 1062 O PHE A 135 34.174 -25.530 5.004 1.00 18.22 O ATOM 1063 CB PHE A 135 33.111 -23.875 7.342 1.00 19.31 C ATOM 1064 CG PHE A 135 32.739 -22.620 6.608 1.00 20.49 C ATOM 1065 CD1 PHE A 135 33.476 -22.196 5.511 1.00 19.45 C ATOM 1066 CD2 PHE A 135 31.622 -21.886 6.982 1.00 19.45 C ATOM 1067 CE1 PHE A 135 33.123 -21.057 4.820 1.00 18.28 C ATOM 1068 CE2 PHE A 135 31.258 -20.737 6.282 1.00 20.09 C ATOM 1069 CZ PHE A 135 32.009 -20.325 5.198 1.00 16.44 C ATOM 0 H PHE A 135 33.716 -26.644 7.156 1.00 20.58 H new ATOM 0 HA PHE A 135 31.566 -25.062 6.751 1.00 21.87 H new ATOM 0 HB2 PHE A 135 32.797 -23.813 8.258 1.00 19.31 H new ATOM 0 HB3 PHE A 135 34.078 -23.949 7.377 1.00 19.31 H new ATOM 0 HD1 PHE A 135 34.218 -22.687 5.239 1.00 19.45 H new ATOM 0 HD2 PHE A 135 31.111 -22.164 7.708 1.00 19.45 H new ATOM 0 HE1 PHE A 135 33.636 -20.778 4.096 1.00 18.28 H new ATOM 0 HE2 PHE A 135 30.511 -20.249 6.544 1.00 20.09 H new ATOM 0 HZ PHE A 135 31.768 -19.561 4.725 1.00 16.44 H new ATOM 1070 N ASN A 136 32.095 -25.024 4.309 1.00 20.31 N ATOM 1071 CA ASN A 136 32.510 -25.132 2.919 1.00 21.67 C ATOM 1072 C ASN A 136 31.726 -24.169 2.045 1.00 22.08 C ATOM 1073 O ASN A 136 30.508 -24.031 2.200 1.00 21.92 O ATOM 1074 CB ASN A 136 32.328 -26.547 2.384 1.00 20.92 C ATOM 1075 CG ASN A 136 32.675 -26.640 0.921 1.00 28.00 C ATOM 1076 OD1 ASN A 136 31.802 -26.599 0.049 1.00 28.71 O ATOM 1077 ND2 ASN A 136 33.969 -26.712 0.635 1.00 27.68 N ATOM 0 H ASN A 136 31.271 -24.818 4.442 1.00 20.31 H new ATOM 0 HA ASN A 136 33.453 -24.906 2.889 1.00 21.67 H new ATOM 0 HB2 ASN A 136 32.887 -27.158 2.889 1.00 20.92 H new ATOM 0 HB3 ASN A 136 31.409 -26.828 2.517 1.00 20.92 H new ATOM 0 HD21 ASN A 136 34.228 -26.732 -0.185 1.00 27.68 H new ATOM 0 HD22 ASN A 136 34.549 -26.739 1.270 1.00 27.68 H new ATOM 1078 N VAL A 137 32.439 -23.513 1.132 1.00 21.37 N ATOM 1079 CA VAL A 137 31.850 -22.720 0.063 1.00 22.95 C ATOM 1080 C VAL A 137 32.154 -23.422 -1.253 1.00 24.99 C ATOM 1081 O VAL A 137 33.318 -23.723 -1.544 1.00 23.73 O ATOM 1082 CB VAL A 137 32.394 -21.284 0.055 1.00 22.81 C ATOM 1083 CG1 VAL A 137 31.934 -20.572 -1.209 1.00 20.30 C ATOM 1084 CG2 VAL A 137 31.945 -20.543 1.309 1.00 19.87 C ATOM 0 H VAL A 137 33.299 -23.519 1.119 1.00 21.37 H new ATOM 0 HA VAL A 137 30.892 -22.649 0.198 1.00 22.95 H new ATOM 0 HB VAL A 137 33.364 -21.303 0.058 1.00 22.81 H new ATOM 0 HG11 VAL A 137 32.278 -19.665 -1.213 1.00 20.30 H new ATOM 0 HG12 VAL A 137 32.266 -21.047 -1.987 1.00 20.30 H new ATOM 0 HG13 VAL A 137 30.965 -20.550 -1.233 1.00 20.30 H new ATOM 0 HG21 VAL A 137 32.294 -19.638 1.293 1.00 19.87 H new ATOM 0 HG22 VAL A 137 30.976 -20.515 1.339 1.00 19.87 H new ATOM 0 HG23 VAL A 137 32.279 -21.004 2.094 1.00 19.87 H new ATOM 1085 N SER A 138 31.112 -23.702 -2.034 1.00 22.13 N ATOM 1086 CA SER A 138 31.276 -24.417 -3.293 1.00 23.89 C ATOM 1087 C SER A 138 31.748 -23.466 -4.389 1.00 29.21 C ATOM 1088 O SER A 138 31.311 -22.314 -4.466 1.00 26.81 O ATOM 1089 CB SER A 138 29.965 -25.080 -3.700 1.00 22.24 C ATOM 1090 OG SER A 138 29.048 -24.101 -4.145 1.00 22.18 O ATOM 0 H SER A 138 30.300 -23.485 -1.850 1.00 22.13 H new ATOM 0 HA SER A 138 31.948 -25.105 -3.170 1.00 23.89 H new ATOM 0 HB2 SER A 138 30.126 -25.727 -4.404 1.00 22.24 H new ATOM 0 HB3 SER A 138 29.592 -25.566 -2.948 1.00 22.24 H new ATOM 0 HG SER A 138 29.105 -24.023 -4.979 1.00 22.18 H new ATOM 1091 N TYR A 139 32.647 -23.957 -5.237 1.00 26.98 N ATOM 1092 CA TYR A 139 33.290 -23.147 -6.266 1.00 26.33 C ATOM 1093 C TYR A 139 33.332 -23.919 -7.565 1.00 27.73 C ATOM 1094 O TYR A 139 34.377 -24.036 -8.204 1.00 30.30 O ATOM 1095 CB TYR A 139 34.709 -22.763 -5.871 1.00 23.37 C ATOM 1096 CG TYR A 139 34.770 -21.686 -4.841 1.00 23.94 C ATOM 1097 CD1 TYR A 139 34.514 -20.363 -5.181 1.00 22.91 C ATOM 1098 CD2 TYR A 139 35.078 -21.986 -3.517 1.00 23.64 C ATOM 1099 CE1 TYR A 139 34.571 -19.355 -4.228 1.00 24.21 C ATOM 1100 CE2 TYR A 139 35.135 -20.985 -2.544 1.00 22.60 C ATOM 1101 CZ TYR A 139 34.879 -19.672 -2.910 1.00 23.81 C ATOM 1102 OH TYR A 139 34.939 -18.668 -1.968 1.00 21.64 O ATOM 0 H TYR A 139 32.903 -24.778 -5.231 1.00 26.98 H new ATOM 0 HA TYR A 139 32.771 -22.334 -6.371 1.00 26.33 H new ATOM 0 HB2 TYR A 139 35.167 -23.549 -5.534 1.00 23.37 H new ATOM 0 HB3 TYR A 139 35.189 -22.472 -6.662 1.00 23.37 H new ATOM 0 HD1 TYR A 139 34.301 -20.150 -6.061 1.00 22.91 H new ATOM 0 HD2 TYR A 139 35.249 -22.868 -3.276 1.00 23.64 H new ATOM 0 HE1 TYR A 139 34.404 -18.473 -4.470 1.00 24.21 H new ATOM 0 HE2 TYR A 139 35.342 -21.196 -1.662 1.00 22.60 H new ATOM 0 HH TYR A 139 35.054 -19.004 -1.207 1.00 21.64 H new ATOM 1103 N LEU A 140 32.192 -24.475 -7.956 1.00 28.04 N ATOM 1104 CA LEU A 140 32.130 -25.333 -9.130 1.00 30.60 C ATOM 1105 C LEU A 140 31.516 -24.657 -10.358 1.00 30.90 C ATOM 1106 O LEU A 140 31.718 -25.151 -11.474 1.00 29.02 O ATOM 1107 CB LEU A 140 31.354 -26.622 -8.791 1.00 33.19 C ATOM 1108 CG LEU A 140 31.841 -27.429 -7.572 1.00 32.27 C ATOM 1109 CD1 LEU A 140 30.841 -28.517 -7.188 1.00 32.06 C ATOM 1110 CD2 LEU A 140 33.225 -28.033 -7.817 1.00 29.56 C ATOM 0 H LEU A 140 31.440 -24.367 -7.553 1.00 28.04 H new ATOM 0 HA LEU A 140 33.047 -25.541 -9.368 1.00 30.60 H new ATOM 0 HB2 LEU A 140 30.425 -26.385 -8.645 1.00 33.19 H new ATOM 0 HB3 LEU A 140 31.380 -27.203 -9.567 1.00 33.19 H new ATOM 0 HG LEU A 140 31.911 -26.809 -6.829 1.00 32.27 H new ATOM 0 HD11 LEU A 140 31.174 -29.007 -6.420 1.00 32.06 H new ATOM 0 HD12 LEU A 140 29.989 -28.110 -6.967 1.00 32.06 H new ATOM 0 HD13 LEU A 140 30.724 -29.127 -7.933 1.00 32.06 H new ATOM 0 HD21 LEU A 140 33.503 -28.533 -7.034 1.00 29.56 H new ATOM 0 HD22 LEU A 140 33.188 -28.627 -8.583 1.00 29.56 H new ATOM 0 HD23 LEU A 140 33.862 -27.322 -7.989 1.00 29.56 H new ATOM 1111 N LYS A 141 30.803 -23.538 -10.203 1.00 33.23 N ATOM 1112 CA LYS A 141 30.078 -22.945 -11.320 1.00 39.48 C ATOM 1113 C LYS A 141 30.772 -21.682 -11.824 1.00 38.93 C ATOM 1114 O LYS A 141 31.455 -20.971 -11.074 1.00 33.48 O ATOM 1115 CB LYS A 141 28.619 -22.603 -10.963 1.00 40.54 C ATOM 1116 CG LYS A 141 27.896 -23.620 -10.088 1.00 41.25 C ATOM 1117 CD LYS A 141 26.734 -24.332 -10.793 1.00 40.95 C ATOM 1118 CE LYS A 141 25.829 -25.068 -9.758 1.00 48.35 C ATOM 1119 NZ LYS A 141 26.537 -25.720 -8.577 1.00 51.20 N ATOM 0 H LYS A 141 30.729 -23.111 -9.460 1.00 33.23 H new ATOM 0 HA LYS A 141 30.073 -23.617 -12.019 1.00 39.48 H new ATOM 0 HB2 LYS A 141 28.607 -21.745 -10.510 1.00 40.54 H new ATOM 0 HB3 LYS A 141 28.118 -22.496 -11.787 1.00 40.54 H new ATOM 0 HG2 LYS A 141 28.534 -24.284 -9.785 1.00 41.25 H new ATOM 0 HG3 LYS A 141 27.557 -23.171 -9.298 1.00 41.25 H new ATOM 0 HD2 LYS A 141 26.207 -23.687 -11.289 1.00 40.95 H new ATOM 0 HD3 LYS A 141 27.082 -24.969 -11.436 1.00 40.95 H new ATOM 0 HE2 LYS A 141 25.185 -24.431 -9.412 1.00 48.35 H new ATOM 0 HE3 LYS A 141 25.327 -25.753 -10.227 1.00 48.35 H new ATOM 0 HZ1 LYS A 141 25.948 -26.183 -8.097 1.00 51.20 H new ATOM 0 HZ2 LYS A 141 27.172 -26.268 -8.876 1.00 51.20 H new ATOM 0 HZ3 LYS A 141 26.905 -25.090 -8.067 1.00 51.20 H new ATOM 1120 N ARG A 142 30.562 -21.422 -13.117 1.00 43.31 N ATOM 1121 CA ARG A 142 31.074 -20.261 -13.843 1.00 42.22 C ATOM 1122 C ARG A 142 30.292 -18.997 -13.469 1.00 47.62 C ATOM 1123 O ARG A 142 29.581 -18.964 -12.451 1.00 52.62 O ATOM 1124 CB ARG A 142 30.996 -20.514 -15.353 1.00 37.78 C ATOM 1125 CG ARG A 142 31.711 -19.481 -16.203 1.00 42.03 C ATOM 1126 CD ARG A 142 31.817 -19.922 -17.666 1.00 46.22 C ATOM 1127 NE ARG A 142 32.863 -19.176 -18.367 1.00 49.84 N ATOM 1128 CZ ARG A 142 34.123 -19.590 -18.510 1.00 42.74 C ATOM 1129 NH1 ARG A 142 35.001 -18.821 -19.154 1.00 36.93 N ATOM 1130 NH2 ARG A 142 34.504 -20.771 -18.014 1.00 35.90 N ATOM 0 H ARG A 142 30.095 -21.944 -13.616 1.00 43.31 H new ATOM 0 HA ARG A 142 32.002 -20.124 -13.594 1.00 42.22 H new ATOM 0 HB2 ARG A 142 31.372 -21.388 -15.543 1.00 37.78 H new ATOM 0 HB3 ARG A 142 30.063 -20.543 -15.617 1.00 37.78 H new ATOM 0 HG2 ARG A 142 31.236 -18.637 -16.153 1.00 42.03 H new ATOM 0 HG3 ARG A 142 32.600 -19.328 -15.846 1.00 42.03 H new ATOM 0 HD2 ARG A 142 32.010 -20.872 -17.707 1.00 46.22 H new ATOM 0 HD3 ARG A 142 30.966 -19.786 -18.110 1.00 46.22 H new ATOM 0 HE ARG A 142 32.650 -18.417 -18.711 1.00 49.84 H new ATOM 0 HH11 ARG A 142 34.754 -18.062 -19.475 1.00 36.93 H new ATOM 0 HH12 ARG A 142 35.814 -19.084 -19.249 1.00 36.93 H new ATOM 0 HH21 ARG A 142 33.936 -21.267 -17.601 1.00 35.90 H new ATOM 0 HH22 ARG A 142 35.317 -21.035 -18.108 1.00 35.90 H new TER 1131 ARG A 142 HETATM 1132 O HOH A 201 29.425 -30.425 14.195 1.00 40.83 O HETATM 1133 O HOH A 202 34.327 -12.048 -3.770 1.00 25.22 O HETATM 1134 O HOH A 203 31.996 -5.912 -1.990 1.00 22.10 O HETATM 1135 O HOH A 204 36.845 -17.331 -19.753 1.00 27.03 O HETATM 1136 O HOH A 205 34.494 -25.203 16.752 1.00 31.54 O HETATM 1137 O HOH A 206 12.624 -14.893 0.333 1.00 26.75 O HETATM 1138 O HOH A 207 24.040 -10.983 -9.276 1.00 40.25 O HETATM 1139 O HOH A 208 32.178 -20.729 -8.679 1.00 34.14 O HETATM 1140 O HOH A 209 29.897 -10.693 11.179 1.00 19.31 O HETATM 1141 O HOH A 210 9.536 -28.988 10.159 1.00 38.60 O HETATM 1142 O HOH A 211 22.515 -11.156 -1.756 1.00 20.69 O HETATM 1143 O HOH A 212 10.409 -16.690 2.189 1.00 28.31 O HETATM 1144 O HOH A 213 36.979 -15.175 12.857 1.00 38.89 O HETATM 1145 O HOH A 214 11.062 -14.664 -6.784 1.00 28.32 O HETATM 1146 O HOH A 215 15.399 -9.421 1.332 1.00 19.23 O HETATM 1147 O HOH A 216 31.164 -2.575 1.333 1.00 35.25 O HETATM 1148 O HOH A 217 15.278 -21.215 23.433 1.00 21.44 O HETATM 1149 O HOH A 218 14.302 -32.359 1.988 1.00 54.68 O HETATM 1150 O HOH A 219 18.174 -3.600 -2.198 1.00 43.55 O HETATM 1151 O HOH A 220 29.261 -25.963 25.966 1.00 27.99 O HETATM 1152 O HOH A 221 40.602 -25.861 12.790 1.00 33.48 O HETATM 1153 O HOH A 222 15.950 -30.705 11.924 1.00 20.51 O HETATM 1154 O HOH A 223 39.596 -22.590 7.669 1.00 29.94 O HETATM 1155 O HOH A 224 30.750 -29.433 16.651 1.00 28.10 O HETATM 1156 O HOH A 225 38.084 -10.645 9.247 1.00 33.17 O HETATM 1157 O HOH A 226 16.350 -8.180 16.421 1.00 42.38 O HETATM 1158 O HOH A 227 35.826 -2.592 13.644 1.00 44.48 O HETATM 1159 O HOH A 228 32.556 -11.494 -6.188 1.00 25.09 O HETATM 1160 O HOH A 229 33.878 -26.278 -4.796 1.00 35.66 O HETATM 1161 O HOH A 230 15.593 -25.191 -4.358 1.00 23.15 O HETATM 1162 O HOH A 231 35.346 -19.556 0.854 1.00 23.30 O HETATM 1163 O HOH A 232 12.758 -7.663 3.290 1.00 31.90 O HETATM 1164 O HOH A 233 38.196 -17.045 16.324 1.00 30.38 O HETATM 1165 O HOH A 234 28.454 -2.171 8.046 1.00 19.04 O HETATM 1166 O HOH A 235 29.653 0.528 5.419 1.00 27.09 O HETATM 1167 O HOH A 236 22.208 2.783 4.715 1.00 42.70 O HETATM 1168 O HOH A 237 29.169 -26.042 0.102 1.00 19.42 O HETATM 1169 O HOH A 238 31.230 -19.634 -4.800 1.00 19.67 O HETATM 1170 O HOH A 239 28.502 -8.684 -10.387 1.00 40.83 O HETATM 1171 O HOH A 240 20.596 -28.344 16.796 1.00 25.57 O HETATM 1172 O HOH A 241 17.703 -2.998 1.590 1.00 39.81 O HETATM 1173 O HOH A 242 37.979 -11.921 0.118 1.00 20.84 O HETATM 1174 O HOH A 243 13.138 -27.446 18.117 1.00 31.94 O HETATM 1175 O HOH A 244 16.672 -27.109 26.904 1.00 20.07 O HETATM 1176 O HOH A 245 29.536 -24.094 -6.821 1.00 27.76 O HETATM 1177 O HOH A 246 31.220 -2.069 4.230 1.00 23.53 O HETATM 1178 O HOH A 247 39.547 -18.993 6.900 1.00 25.06 O HETATM 1179 O HOH A 248 27.235 -18.372 -11.153 1.00 54.45 O HETATM 1180 O HOH A 249 38.173 -6.863 2.242 1.00 23.58 O HETATM 1181 O HOH A 250 14.588 -11.241 -5.644 1.00 43.38 O HETATM 1182 O HOH A 251 12.817 -13.235 4.138 1.00 37.27 O HETATM 1183 O HOH A 252 17.679 -31.595 1.072 1.00 31.24 O HETATM 1184 O HOH A 253 21.476 -27.547 22.085 1.00 22.83 O HETATM 1185 O HOH A 254 30.822 -12.731 -4.119 1.00 19.06 O HETATM 1186 O HOH A 255 20.100 -17.355 28.495 1.00 18.51 O HETATM 1187 O HOH A 256 27.868 -28.625 22.484 1.00 26.70 O HETATM 1188 O HOH A 257 32.257 -27.978 -2.292 1.00 38.65 O HETATM 1189 O HOH A 258 16.114 -32.809 21.016 1.00 28.37 O HETATM 1190 O HOH A 259 31.317 -13.798 -7.198 1.00 24.85 O HETATM 1191 O HOH A 260 18.123 -14.549 24.534 1.00 32.83 O HETATM 1192 O HOH A 261 33.683 -19.912 20.343 1.00 27.23 O HETATM 1193 O HOH A 262 29.248 -19.204 24.408 1.00 20.08 O HETATM 1194 O HOH A 263 14.612 -19.846 27.666 1.00 29.83 O HETATM 1195 O HOH A 264 20.149 -8.909 14.400 1.00 47.30 O HETATM 1196 O HOH A 265 31.751 -10.360 14.502 1.00 28.72 O HETATM 1197 O HOH A 266 21.237 -9.319 -0.086 1.00 19.16 O HETATM 1198 O HOH A 267 31.299 0.077 9.273 1.00 41.17 O HETATM 1199 O HOH A 268 9.359 -24.961 13.912 1.00 28.49 O HETATM 1200 O HOH A 269 12.553 -29.057 2.051 1.00 22.89 O HETATM 1201 O HOH A 270 14.173 -29.170 19.944 1.00 24.79 O HETATM 1202 O HOH A 271 20.573 -28.753 5.567 1.00 24.61 O HETATM 1203 O HOH A 272 23.296 -34.718 17.273 1.00 30.19 O HETATM 1204 O HOH A 273 29.509 -17.037 21.647 0.50 22.44 O HETATM 1205 O HOH A 274 35.586 -27.118 2.914 1.00 26.95 O HETATM 1206 O HOH A 275 31.764 -18.309 20.307 1.00 20.76 O HETATM 1207 O HOH A 276 10.802 -25.566 7.487 1.00 35.69 O HETATM 1208 O HOH A 277 37.886 -7.297 11.264 1.00 33.04 O HETATM 1209 O HOH A 278 33.049 -22.681 19.981 1.00 23.03 O HETATM 1210 O HOH A 279 23.990 -28.841 21.975 1.00 24.85 O HETATM 1211 O HOH A 280 9.144 -10.554 9.663 1.00 34.20 O HETATM 1212 O HOH A 281 22.156 -14.599 -7.393 1.00 35.22 O HETATM 1213 O HOH A 282 18.257 -6.831 12.583 1.00 31.47 O HETATM 1214 O HOH A 283 37.023 -4.639 14.547 1.00 42.82 O HETATM 1215 O HOH A 284 27.567 2.295 11.375 1.00 25.58 O HETATM 1216 O HOH A 285 13.281 -11.408 1.877 1.00 22.71 O HETATM 1217 O HOH A 286 12.209 -17.160 5.502 1.00 27.93 O HETATM 1218 O HOH A 287 21.513 0.524 12.325 1.00 18.33 O HETATM 1219 O HOH A 288 35.372 -23.689 1.361 1.00 21.44 O HETATM 1220 O HOH A 289 10.526 -13.172 -4.597 1.00 50.12 O HETATM 1221 O HOH A 290 26.003 -15.013 21.647 0.50 21.35 O HETATM 1222 O HOH A 291 14.020 -3.684 11.193 1.00 31.59 O HETATM 1223 O HOH A 292 28.908 -23.316 -14.705 1.00 41.36 O HETATM 1224 O HOH A 293 18.898 -15.391 27.290 1.00 26.22 O HETATM 1225 O HOH A 294 23.757 -4.904 -5.849 1.00 26.37 O HETATM 1226 O HOH A 295 30.791 -28.541 21.278 1.00 27.69 O HETATM 1227 O HOH A 296 19.249 -29.937 14.630 1.00 26.57 O HETATM 1228 O HOH A 297 17.696 -14.408 17.142 1.00 33.58 O HETATM 1229 O HOH A 298 15.402 1.187 3.278 1.00 50.73 O HETATM 1230 O HOH A 299 10.140 -11.305 19.156 1.00 44.26 O HETATM 1231 O HOH A 300 15.382 -3.314 3.804 1.00 37.41 O HETATM 1232 O HOH A 301 36.593 -11.023 13.177 1.00 43.24 O HETATM 1233 O HOH A 302 36.763 -29.347 8.578 1.00 42.47 O HETATM 1234 O HOH A 303 29.563 -21.627 -7.631 1.00 27.33 O HETATM 1235 O HOH A 304 38.177 -8.526 13.913 1.00 45.81 O HETATM 1236 O HOH A 305 18.640 -9.303 16.280 1.00 34.82 O HETATM 1237 O HOH A 306 38.883 -5.395 4.520 1.00 27.68 O HETATM 1238 O HOH A 307 35.061 -29.224 -1.139 1.00 33.15 O HETATM 1239 O HOH A 308 10.856 -28.215 16.624 1.00 52.25 O HETATM 1240 O HOH A 309 21.476 -12.100 -8.423 1.00 29.56 O HETATM 1241 O HOH A 310 40.131 -14.833 7.686 1.00 49.50 O HETATM 1242 O HOH A 311 20.838 -6.539 14.209 1.00 34.13 O HETATM 1243 O HOH A 312 13.958 -14.847 27.656 1.00 33.73 O HETATM 1244 O HOH A 313 18.844 -32.756 14.616 1.00 32.03 O HETATM 1245 O HOH A 314 28.569 -28.142 25.060 1.00 45.35 O HETATM 1246 O HOH A 315 13.312 -4.796 2.642 1.00 34.88 O HETATM 1247 O HOH A 316 17.492 -4.290 13.260 1.00 35.35 O HETATM 1248 O HOH A 317 28.115 -28.081 -1.576 1.00 51.85 O HETATM 1249 O HOH A 318 37.262 -13.164 14.697 1.00 42.79 O HETATM 1250 O HOH A 319 13.345 -23.387 24.402 1.00 29.55 O HETATM 1251 O HOH A 320 16.243 -33.458 12.799 1.00 37.14 O HETATM 1252 O HOH A 321 33.549 -0.021 7.465 1.00 46.95 O HETATM 1253 O HOH A 322 14.054 -7.610 -0.424 1.00 26.64 O HETATM 1254 O HOH A 323 41.384 -15.264 5.119 1.00 38.32 O HETATM 1255 O HOH A 324 40.781 -5.490 6.049 1.00 41.85 O HETATM 1256 O HOH A 325 29.337 -28.249 -4.368 1.00 48.40 O HETATM 1257 O HOH A 326 14.300 -0.654 4.126 1.00 35.76 O HETATM 1258 O HOH A 327 38.233 -2.724 3.688 1.00 34.41 O HETATM 1259 O HOH A 328 15.422 -18.527 -10.857 1.00 47.42 O HETATM 1260 O HOH A 329 41.027 -7.362 7.729 1.00 40.58 O HETATM 1261 O HOH A 330 12.493 -25.579 22.508 1.00 51.01 O HETATM 1262 O HOH A 331 14.067 -4.768 0.364 1.00 70.61 O HETATM 1263 O HOH A 332 37.260 -3.784 17.448 1.00 28.52 O HETATM 1264 O HOH A 333 26.143 -16.244 -12.511 1.00 42.60 O HETATM 1265 O HOH A 334 17.286 -28.410 28.952 1.00 30.45 O HETATM 1266 O HOH A 335 15.982 -30.886 -1.199 1.00 29.01 O HETATM 1267 O HOH A 336 36.312 -9.935 -4.459 1.00 32.04 O HETATM 1268 O HOH A 337 40.003 -8.334 0.679 1.00 39.23 O HETATM 1269 O HOH A 338 17.102 -34.826 10.915 1.00 43.98 O HETATM 1270 O HOH A 339 38.360 -14.592 17.983 1.00 33.31 O HETATM 1271 O HOH A 340 40.205 -12.228 8.580 1.00 45.97 O HETATM 1272 O HOH A 341 10.243 -7.791 4.347 1.00 51.41 O HETATM 1273 O HOH A 342 8.548 -10.055 6.996 1.00 40.83 O HETATM 1274 O HOH A 343 41.696 -10.189 7.430 1.00 44.41 O HETATM 1275 O HOH A 344 32.410 1.250 12.264 1.00 39.15 O HETATM 1276 O HOH A 345 41.930 -12.967 3.295 1.00 34.73 O END