USER MOD reduce.3.24.130724 H: found=0, std=0, add=1093, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTEIN BINDING 08-JUN-18 6A1X TITLE CHARCOT-LEYDEN CRYSTAL PROTEIN/GALECTIN-10 VARIANT W127A COMPND MOL_ID: 1; COMPND 2 MOLECULE: GALECTIN-10; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 1-142; 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 PROTEIN BINDING EXPDTA X-RAY DIFFRACTION AUTHOR J.SU REVDAT 1 26-DEC-18 6A1X 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. 1.99 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 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 : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.99 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.47 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.360 REMARK 3 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 3 NUMBER OF REFLECTIONS : 13419 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.190 REMARK 3 R VALUE (WORKING SET) : 0.186 REMARK 3 FREE R VALUE : 0.221 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1342 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 : FLAT BULK SOLVENT MODEL 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) : 0.190 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.880 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.88 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 6A1X 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_1300008035. 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 : 13492 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.990 REMARK 200 RESOLUTION RANGE LOW (A) : 19.472 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.9 REMARK 200 DATA REDUNDANCY : 17.90 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.8000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.99 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.04 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 (%): 54.75 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.72 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 173.20667 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 86.60333 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 129.90500 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 43.30167 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 216.50833 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 173.20667 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 86.60333 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 43.30167 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 129.90500 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 216.50833 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 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 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 271 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 274 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 SER A 2 OG REMARK 470 ARG A 60 CG CD NE CZ NH1 NH2 REMARK 470 GLU A 77 CG CD OE1 OE2 REMARK 470 GLU A 90 CG CD OE1 OE2 REMARK 470 ASP A 98 CG OD1 OD2 REMARK 470 ARG A 142 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 60 -71.76 -123.26 REMARK 500 LYS A 73 -145.73 -96.64 REMARK 500 ARG A 128 -145.39 84.14 REMARK 500 ASP A 129 58.29 -95.88 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 333 DISTANCE = 5.94 ANGSTROMS DBREF 6A1X A 1 142 UNP Q05315 LEG10_HUMAN 1 142 SEQADV 6A1X GLY A -2 UNP Q05315 EXPRESSION TAG SEQADV 6A1X SER A -1 UNP Q05315 EXPRESSION TAG SEQADV 6A1X HIS A 0 UNP Q05315 EXPRESSION TAG SEQADV 6A1X ALA A 127 UNP Q05315 TRP 127 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 GLU 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 ALA 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 *133(H2 O) HELIX 1 AA1 CYS A 29 GLU 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 SER A 78 N VAL A 62 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 ASN A 136 N THR A 21 CISPEP 1 VAL A 6 PRO A 7 0 6.63 CRYST1 48.502 48.502 259.810 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 0.020618 0.011904 0.000000 0.00000 SCALE2 0.000000 0.023807 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003849 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= 1.2 K(o=1.7,f=-0.51) USER MOD Set 1.2: A 108 SER OG : rot 124:sc= 0.505 USER MOD Set 2.1: A 19 THR OG1 : rot 180:sc= 0.0165 USER MOD Set 2.2: A 94 SER OG : rot -56:sc= 0.0188 USER MOD Set 3.1: A 53 HIS : no HE2:sc= 1.99 K(o=3.1,f=-5.9!) USER MOD Set 3.2: A 55 GLN : amide:sc= 1.11 K(o=3.1,f=-2.3!) USER MOD Set 4.1: A 41 HIS : no HD1:sc= 1.26 K(o=2,f=-4.3!) USER MOD Set 4.2: A 48 SER OG : rot -87:sc= 0.733 USER MOD Set 4.3: A 123 MET CE :methyl 179:sc=-0.000284 (180deg=-0.00327) USER MOD Set 5.1: A 9 THR OG1 : rot 88:sc= 1.35 USER MOD Set 5.2: A 125 GLN : amide:sc= 1.17 K(o=2.5,f=1) USER MOD Single : A 8 TYR OH : rot 168:sc= 1.31 USER MOD Single : A 13 SER OG : rot -51:sc= 1.25 USER MOD Single : A 15 SER OG : rot 106:sc= 0.098 USER MOD Single : A 16 THR OG1 : rot 172:sc= 1.65 USER MOD Single : A 18 SER OG : rot -115:sc= 1.54 USER MOD Single : A 21 THR OG1 : rot 90:sc= 0.791 USER MOD Single : A 23 LYS NZ :NH3+ -125:sc= -0.769 (180deg=-1.79!) USER MOD Single : A 29 CYS SG : rot 180:sc= 0.0549 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 35 TYR OH : rot -14:sc= 1.41 USER MOD Single : A 37 GLN : amide:sc= 1.91 K(o=1.9,f=-8.7!) USER MOD Single : A 42 THR OG1 : rot 135:sc= 0.976 USER MOD Single : A 44 MET CE :methyl -143:sc= -0.0847 (180deg=-0.567) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 81:sc= -0.471! USER MOD Single : A 64 MET CE :methyl -172:sc= -0.0516 (180deg=-0.118) USER MOD Single : A 65 ASN : amide:sc= 0.788 K(o=0.79,f=-8.2!) USER MOD Single : A 66 SER OG : rot 145:sc= 1.31 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000486) USER MOD Single : A 74 GLN : amide:sc= 0.253 X(o=0.25,f=0) USER MOD Single : A 75 GLN : amide:sc= 1.05 K(o=1.1,f=0.21) USER MOD Single : A 78 SER OG : rot 180:sc= 0.373 USER MOD Single : A 79 LYS NZ :NH3+ 169:sc= 0.00131 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.401 K(o=0.4,f=-0.86) USER MOD Single : A 81 MET CE :methyl 170:sc= -0.016 (180deg=-0.115) USER MOD Single : A 84 GLN : amide:sc= 0.236 X(o=0.24,f=-0.095) USER MOD Single : A 87 GLN : amide:sc= 1.03 K(o=1,f=-0.38) USER MOD Single : A 92 SER OG : rot 174:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 155:sc= 0.975 (180deg=0.757) USER MOD Single : A 100 TYR OH : rot 148:sc= 1.04 USER MOD Single : A 103 MET CE :methyl -157:sc= -0.581 (180deg=-1.58!) USER MOD Single : A 105 ASN : amide:sc= 1.62 K(o=1.6,f=-3.9!) USER MOD Single : A 107 GLN : amide:sc= -0.165 K(o=-0.16,f=0.63) USER MOD Single : A 109 SER OG : rot 64:sc= 0.526 USER MOD Single : A 110 TYR OH : rot 2:sc= 0.995 USER MOD Single : A 111 THR OG1 : rot -17:sc= 2.42 USER MOD Single : A 114 HIS : no HD1:sc= 0.271 K(o=0.27,f=-2.8!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 108:sc= 1.27 USER MOD Single : A 133 THR OG1 : rot -116:sc= 1.36 USER MOD Single : A 134 LYS NZ :NH3+ -121:sc= 0.267 (180deg=-2.23!) USER MOD Single : A 136 ASN : amide:sc= 2.95 K(o=2.9,f=1.3) USER MOD Single : A 138 SER OG : rot 97:sc= 1.1 USER MOD Single : A 139 TYR OH : rot 175:sc= 0.62 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 59.212 14.832 18.587 1.00 44.79 N ATOM 2 CA SER A 2 59.758 13.567 18.113 1.00 38.70 C ATOM 3 C SER A 2 60.925 13.786 17.153 1.00 42.09 C ATOM 4 O SER A 2 62.007 14.193 17.564 1.00 51.28 O ATOM 5 CB SER A 2 58.667 12.734 17.437 1.00 33.29 C ATOM 0 HA SER A 2 60.093 13.083 18.884 1.00 38.70 H new ATOM 6 N LEU A 3 60.705 13.531 15.867 1.00 35.22 N ATOM 7 CA LEU A 3 61.825 13.496 14.940 1.00 36.25 C ATOM 8 C LEU A 3 62.215 14.893 14.467 1.00 37.99 C ATOM 9 O LEU A 3 63.393 15.264 14.532 1.00 42.08 O ATOM 10 CB LEU A 3 61.485 12.560 13.777 1.00 38.06 C ATOM 11 CG LEU A 3 61.950 11.118 14.013 1.00 42.03 C ATOM 12 CD1 LEU A 3 63.426 10.914 13.578 1.00 40.58 C ATOM 13 CD2 LEU A 3 61.737 10.746 15.507 1.00 51.17 C ATOM 0 H LEU A 3 59.933 13.379 15.519 1.00 35.22 H new ATOM 0 HA LEU A 3 62.606 13.148 15.398 1.00 36.25 H new ATOM 0 HB2 LEU A 3 60.526 12.566 13.634 1.00 38.06 H new ATOM 0 HB3 LEU A 3 61.895 12.898 12.966 1.00 38.06 H new ATOM 0 HG LEU A 3 61.417 10.523 13.463 1.00 42.03 H new ATOM 0 HD11 LEU A 3 63.687 9.994 13.740 1.00 40.58 H new ATOM 0 HD12 LEU A 3 63.515 11.113 12.633 1.00 40.58 H new ATOM 0 HD13 LEU A 3 63.999 11.507 14.089 1.00 40.58 H new ATOM 0 HD21 LEU A 3 62.031 9.834 15.659 1.00 51.17 H new ATOM 0 HD22 LEU A 3 62.251 11.348 16.067 1.00 51.17 H new ATOM 0 HD23 LEU A 3 60.796 10.823 15.729 1.00 51.17 H new ATOM 14 N LEU A 4 61.241 15.698 14.025 1.00 27.33 N ATOM 15 CA LEU A 4 61.565 17.018 13.477 1.00 22.59 C ATOM 16 C LEU A 4 61.332 18.120 14.507 1.00 23.19 C ATOM 17 O LEU A 4 60.322 18.106 15.214 1.00 26.06 O ATOM 18 CB LEU A 4 60.719 17.314 12.237 1.00 19.84 C ATOM 19 CG LEU A 4 60.863 16.367 11.041 1.00 27.50 C ATOM 20 CD1 LEU A 4 59.788 16.646 9.989 1.00 21.60 C ATOM 21 CD2 LEU A 4 62.254 16.485 10.437 1.00 24.76 C ATOM 0 H LEU A 4 60.404 15.503 14.033 1.00 27.33 H new ATOM 0 HA LEU A 4 62.504 17.003 13.235 1.00 22.59 H new ATOM 0 HB2 LEU A 4 59.787 17.319 12.505 1.00 19.84 H new ATOM 0 HB3 LEU A 4 60.932 18.211 11.936 1.00 19.84 H new ATOM 0 HG LEU A 4 60.741 15.458 11.356 1.00 27.50 H new ATOM 0 HD11 LEU A 4 59.899 16.036 9.243 1.00 21.60 H new ATOM 0 HD12 LEU A 4 58.910 16.520 10.382 1.00 21.60 H new ATOM 0 HD13 LEU A 4 59.872 17.560 9.674 1.00 21.60 H new ATOM 0 HD21 LEU A 4 62.331 15.881 9.682 1.00 24.76 H new ATOM 0 HD22 LEU A 4 62.401 17.396 10.138 1.00 24.76 H new ATOM 0 HD23 LEU A 4 62.918 16.253 11.105 1.00 24.76 H new ATOM 22 N PRO A 5 62.230 19.097 14.596 1.00 19.82 N ATOM 23 CA PRO A 5 62.062 20.161 15.594 1.00 23.61 C ATOM 24 C PRO A 5 60.824 20.994 15.307 1.00 21.44 C ATOM 25 O PRO A 5 60.486 21.262 14.154 1.00 24.84 O ATOM 26 CB PRO A 5 63.338 20.992 15.435 1.00 30.76 C ATOM 27 CG PRO A 5 63.684 20.813 13.969 1.00 30.27 C ATOM 28 CD PRO A 5 63.346 19.372 13.674 1.00 27.70 C ATOM 0 HA PRO A 5 61.939 19.822 16.494 1.00 23.61 H new ATOM 0 HB2 PRO A 5 63.189 21.924 15.657 1.00 30.76 H new ATOM 0 HB3 PRO A 5 64.049 20.673 16.013 1.00 30.76 H new ATOM 0 HG2 PRO A 5 63.172 21.418 13.409 1.00 30.27 H new ATOM 0 HG3 PRO A 5 64.622 20.997 13.802 1.00 30.27 H new ATOM 0 HD2 PRO A 5 63.086 19.247 12.748 1.00 27.70 H new ATOM 0 HD3 PRO A 5 64.101 18.785 13.839 1.00 27.70 H new ATOM 29 N VAL A 6 60.130 21.377 16.373 1.00 17.33 N ATOM 30 CA VAL A 6 58.964 22.244 16.300 1.00 13.71 C ATOM 31 C VAL A 6 59.257 23.461 17.165 1.00 19.88 C ATOM 32 O VAL A 6 59.598 23.296 18.338 1.00 18.35 O ATOM 33 CB VAL A 6 57.683 21.540 16.782 1.00 15.00 C ATOM 34 CG1 VAL A 6 56.536 22.529 16.864 1.00 16.55 C ATOM 35 CG2 VAL A 6 57.343 20.346 15.865 1.00 13.75 C ATOM 0 H VAL A 6 60.329 21.135 17.174 1.00 17.33 H new ATOM 0 HA VAL A 6 58.804 22.495 15.377 1.00 13.71 H new ATOM 0 HB VAL A 6 57.834 21.189 17.674 1.00 15.00 H new ATOM 0 HG11 VAL A 6 55.736 22.073 17.169 1.00 16.55 H new ATOM 0 HG12 VAL A 6 56.762 23.236 17.489 1.00 16.55 H new ATOM 0 HG13 VAL A 6 56.375 22.912 15.987 1.00 16.55 H new ATOM 0 HG21 VAL A 6 56.534 19.914 16.182 1.00 13.75 H new ATOM 0 HG22 VAL A 6 57.206 20.663 14.959 1.00 13.75 H new ATOM 0 HG23 VAL A 6 58.075 19.710 15.877 1.00 13.75 H new ATOM 36 N PRO A 7 59.130 24.704 16.647 1.00 15.83 N ATOM 37 CA PRO A 7 58.604 25.098 15.340 1.00 13.80 C ATOM 38 C PRO A 7 59.510 24.654 14.203 1.00 19.18 C ATOM 39 O PRO A 7 60.745 24.734 14.299 1.00 18.02 O ATOM 40 CB PRO A 7 58.571 26.632 15.403 1.00 12.96 C ATOM 41 CG PRO A 7 58.912 26.995 16.812 1.00 22.91 C ATOM 42 CD PRO A 7 59.688 25.855 17.372 1.00 20.75 C ATOM 0 HA PRO A 7 57.740 24.693 15.167 1.00 13.80 H new ATOM 0 HB2 PRO A 7 59.207 27.019 14.781 1.00 12.96 H new ATOM 0 HB3 PRO A 7 57.695 26.971 15.160 1.00 12.96 H new ATOM 0 HG2 PRO A 7 59.433 27.813 16.840 1.00 22.91 H new ATOM 0 HG3 PRO A 7 58.108 27.152 17.331 1.00 22.91 H new ATOM 0 HD2 PRO A 7 60.640 25.954 17.214 1.00 20.75 H new ATOM 0 HD3 PRO A 7 59.566 25.772 18.331 1.00 20.75 H new ATOM 43 N TYR A 8 58.879 24.170 13.145 1.00 13.74 N ATOM 44 CA TYR A 8 59.559 23.644 11.980 1.00 12.04 C ATOM 45 C TYR A 8 59.333 24.597 10.815 1.00 16.92 C ATOM 46 O TYR A 8 58.192 24.973 10.537 1.00 12.98 O ATOM 47 CB TYR A 8 59.038 22.246 11.646 1.00 10.94 C ATOM 48 CG TYR A 8 59.706 21.662 10.438 1.00 16.76 C ATOM 49 CD1 TYR A 8 60.944 21.045 10.543 1.00 21.60 C ATOM 50 CD2 TYR A 8 59.107 21.727 9.188 1.00 19.47 C ATOM 51 CE1 TYR A 8 61.565 20.508 9.442 1.00 23.02 C ATOM 52 CE2 TYR A 8 59.720 21.194 8.078 1.00 18.08 C ATOM 53 CZ TYR A 8 60.953 20.588 8.209 1.00 22.38 C ATOM 54 OH TYR A 8 61.580 20.051 7.109 1.00 29.08 O ATOM 0 H TYR A 8 58.022 24.138 13.085 1.00 13.74 H new ATOM 0 HA TYR A 8 60.510 23.570 12.158 1.00 12.04 H new ATOM 0 HB2 TYR A 8 59.180 21.660 12.406 1.00 10.94 H new ATOM 0 HB3 TYR A 8 58.081 22.288 11.495 1.00 10.94 H new ATOM 0 HD1 TYR A 8 61.360 20.994 11.373 1.00 21.60 H new ATOM 0 HD2 TYR A 8 58.277 22.138 9.099 1.00 19.47 H new ATOM 0 HE1 TYR A 8 62.393 20.093 9.528 1.00 23.02 H new ATOM 0 HE2 TYR A 8 59.307 21.242 7.246 1.00 18.08 H new ATOM 0 HH TYR A 8 61.040 20.020 6.466 1.00 29.08 H new ATOM 55 N THR A 9 60.414 24.976 10.136 1.00 10.58 N ATOM 56 CA THR A 9 60.374 25.962 9.062 1.00 12.21 C ATOM 57 C THR A 9 61.078 25.382 7.849 1.00 17.61 C ATOM 58 O THR A 9 62.214 24.911 7.962 1.00 16.53 O ATOM 59 CB THR A 9 61.071 27.263 9.480 1.00 17.72 C ATOM 60 OG1 THR A 9 60.521 27.733 10.716 1.00 19.65 O ATOM 61 CG2 THR A 9 60.889 28.325 8.424 1.00 20.61 C ATOM 0 H THR A 9 61.200 24.663 10.289 1.00 10.58 H new ATOM 0 HA THR A 9 59.449 26.168 8.857 1.00 12.21 H new ATOM 0 HB THR A 9 62.018 27.081 9.588 1.00 17.72 H new ATOM 0 HG1 THR A 9 60.940 27.390 11.358 1.00 19.65 H new ATOM 0 HG21 THR A 9 61.335 29.140 8.704 1.00 20.61 H new ATOM 0 HG22 THR A 9 61.272 28.018 7.587 1.00 20.61 H new ATOM 0 HG23 THR A 9 59.943 28.501 8.301 1.00 20.61 H new ATOM 62 N GLU A 10 60.425 25.424 6.695 1.00 11.59 N ATOM 63 CA GLU A 10 61.046 24.915 5.481 1.00 14.30 C ATOM 64 C GLU A 10 60.710 25.838 4.318 1.00 15.61 C ATOM 65 O GLU A 10 59.536 26.155 4.094 1.00 12.16 O ATOM 66 CB GLU A 10 60.577 23.480 5.202 1.00 14.35 C ATOM 67 CG GLU A 10 61.139 22.855 3.926 1.00 18.20 C ATOM 68 CD GLU A 10 60.772 21.381 3.786 1.00 23.41 C ATOM 69 OE1 GLU A 10 60.961 20.620 4.757 1.00 19.85 O ATOM 70 OE2 GLU A 10 60.268 20.987 2.711 1.00 25.96 O ATOM 0 H GLU A 10 59.631 25.739 6.594 1.00 11.59 H new ATOM 0 HA GLU A 10 62.009 24.893 5.594 1.00 14.30 H new ATOM 0 HB2 GLU A 10 60.823 22.921 5.956 1.00 14.35 H new ATOM 0 HB3 GLU A 10 59.608 23.475 5.149 1.00 14.35 H new ATOM 0 HG2 GLU A 10 60.805 23.343 3.157 1.00 18.20 H new ATOM 0 HG3 GLU A 10 62.105 22.946 3.923 1.00 18.20 H new ATOM 71 N ALA A 11 61.738 26.280 3.587 1.00 13.51 N ATOM 72 CA ALA A 11 61.475 27.007 2.353 1.00 14.87 C ATOM 73 C ALA A 11 60.597 26.144 1.461 1.00 14.00 C ATOM 74 O ALA A 11 60.693 24.916 1.481 1.00 16.45 O ATOM 75 CB ALA A 11 62.785 27.379 1.650 1.00 12.21 C ATOM 0 H ALA A 11 62.568 26.172 3.784 1.00 13.51 H new ATOM 0 HA ALA A 11 61.014 27.837 2.552 1.00 14.87 H new ATOM 0 HB1 ALA A 11 62.588 27.862 0.832 1.00 12.21 H new ATOM 0 HB2 ALA A 11 63.319 27.939 2.235 1.00 12.21 H new ATOM 0 HB3 ALA A 11 63.279 26.572 1.438 1.00 12.21 H new ATOM 76 N ALA A 12 59.700 26.781 0.705 1.00 12.54 N ATOM 77 CA ALA A 12 58.735 26.013 -0.065 1.00 11.12 C ATOM 78 C ALA A 12 58.229 26.824 -1.252 1.00 16.26 C ATOM 79 O ALA A 12 58.212 28.055 -1.224 1.00 18.38 O ATOM 80 CB ALA A 12 57.544 25.573 0.795 1.00 16.19 C ATOM 0 H ALA A 12 59.637 27.635 0.628 1.00 12.54 H new ATOM 0 HA ALA A 12 59.192 25.219 -0.385 1.00 11.12 H new ATOM 0 HB1 ALA A 12 56.922 25.065 0.251 1.00 16.19 H new ATOM 0 HB2 ALA A 12 57.860 25.020 1.527 1.00 16.19 H new ATOM 0 HB3 ALA A 12 57.096 26.356 1.152 1.00 16.19 H new ATOM 81 N SER A 13 57.833 26.113 -2.298 1.00 13.74 N ATOM 82 CA SER A 13 57.112 26.700 -3.420 1.00 18.92 C ATOM 83 C SER A 13 55.863 25.878 -3.654 1.00 18.28 C ATOM 84 O SER A 13 55.896 24.648 -3.546 1.00 23.97 O ATOM 85 CB SER A 13 57.929 26.716 -4.717 1.00 19.65 C ATOM 86 OG SER A 13 59.022 27.590 -4.612 1.00 21.97 O ATOM 0 H SER A 13 57.976 25.269 -2.378 1.00 13.74 H new ATOM 0 HA SER A 13 56.913 27.622 -3.193 1.00 18.92 H new ATOM 0 HB2 SER A 13 58.245 25.821 -4.916 1.00 19.65 H new ATOM 0 HB3 SER A 13 57.363 26.988 -5.456 1.00 19.65 H new ATOM 0 HG SER A 13 58.756 28.340 -4.344 1.00 21.97 H new ATOM 87 N LEU A 14 54.780 26.562 -3.997 1.00 16.24 N ATOM 88 CA LEU A 14 53.472 25.962 -4.187 1.00 11.86 C ATOM 89 C LEU A 14 52.868 26.464 -5.492 1.00 19.35 C ATOM 90 O LEU A 14 53.038 27.632 -5.862 1.00 18.24 O ATOM 91 CB LEU A 14 52.517 26.323 -3.037 1.00 12.63 C ATOM 92 CG LEU A 14 52.902 25.936 -1.610 1.00 12.79 C ATOM 93 CD1 LEU A 14 51.761 26.284 -0.674 1.00 13.57 C ATOM 94 CD2 LEU A 14 53.228 24.442 -1.528 1.00 11.98 C ATOM 0 H LEU A 14 54.788 27.412 -4.129 1.00 16.24 H new ATOM 0 HA LEU A 14 53.587 24.999 -4.209 1.00 11.86 H new ATOM 0 HB2 LEU A 14 52.386 27.284 -3.055 1.00 12.63 H new ATOM 0 HB3 LEU A 14 51.658 25.916 -3.230 1.00 12.63 H new ATOM 0 HG LEU A 14 53.695 26.429 -1.347 1.00 12.79 H new ATOM 0 HD11 LEU A 14 52.001 26.040 0.234 1.00 13.57 H new ATOM 0 HD12 LEU A 14 51.586 27.237 -0.717 1.00 13.57 H new ATOM 0 HD13 LEU A 14 50.965 25.798 -0.939 1.00 13.57 H new ATOM 0 HD21 LEU A 14 53.470 24.213 -0.617 1.00 11.98 H new ATOM 0 HD22 LEU A 14 52.451 23.926 -1.795 1.00 11.98 H new ATOM 0 HD23 LEU A 14 53.969 24.239 -2.120 1.00 11.98 H new ATOM 95 N SER A 15 52.162 25.570 -6.178 1.00 19.80 N ATOM 96 CA SER A 15 51.264 25.917 -7.270 1.00 21.80 C ATOM 97 C SER A 15 50.204 24.828 -7.332 1.00 23.68 C ATOM 98 O SER A 15 50.252 23.859 -6.569 1.00 13.96 O ATOM 99 CB SER A 15 52.017 26.061 -8.599 1.00 26.63 C ATOM 100 OG SER A 15 52.796 24.904 -8.866 1.00 24.78 O ATOM 0 H SER A 15 52.194 24.726 -6.016 1.00 19.80 H new ATOM 0 HA SER A 15 50.852 26.781 -7.113 1.00 21.80 H new ATOM 0 HB2 SER A 15 51.384 26.203 -9.320 1.00 26.63 H new ATOM 0 HB3 SER A 15 52.591 26.842 -8.567 1.00 26.63 H new ATOM 0 HG SER A 15 52.431 24.454 -9.474 1.00 24.78 H new ATOM 101 N THR A 16 49.241 24.990 -8.242 1.00 20.36 N ATOM 102 CA THR A 16 48.148 24.026 -8.362 1.00 17.18 C ATOM 103 C THR A 16 48.683 22.602 -8.494 1.00 21.25 C ATOM 104 O THR A 16 49.587 22.328 -9.290 1.00 20.58 O ATOM 105 CB THR A 16 47.268 24.379 -9.567 1.00 24.47 C ATOM 106 OG1 THR A 16 46.927 25.769 -9.516 1.00 22.09 O ATOM 107 CG2 THR A 16 45.989 23.570 -9.538 1.00 27.69 C ATOM 0 H THR A 16 49.203 25.647 -8.795 1.00 20.36 H new ATOM 0 HA THR A 16 47.613 24.070 -7.554 1.00 17.18 H new ATOM 0 HB THR A 16 47.760 24.180 -10.379 1.00 24.47 H new ATOM 0 HG1 THR A 16 46.544 25.990 -10.230 1.00 22.09 H new ATOM 0 HG21 THR A 16 45.442 23.802 -10.304 1.00 27.69 H new ATOM 0 HG22 THR A 16 46.203 22.624 -9.569 1.00 27.69 H new ATOM 0 HG23 THR A 16 45.501 23.764 -8.722 1.00 27.69 H new ATOM 108 N GLY A 17 48.142 21.695 -7.680 1.00 21.41 N ATOM 109 CA GLY A 17 48.617 20.331 -7.635 1.00 17.30 C ATOM 110 C GLY A 17 49.647 20.041 -6.558 1.00 20.57 C ATOM 111 O GLY A 17 49.907 18.868 -6.273 1.00 17.24 O ATOM 0 H GLY A 17 47.491 21.861 -7.143 1.00 21.41 H new ATOM 0 HA2 GLY A 17 47.857 19.743 -7.502 1.00 17.30 H new ATOM 0 HA3 GLY A 17 49.001 20.108 -8.498 1.00 17.30 H new ATOM 112 N SER A 18 50.247 21.070 -5.958 1.00 19.55 N ATOM 113 CA SER A 18 51.167 20.855 -4.849 1.00 17.87 C ATOM 114 C SER A 18 50.422 20.292 -3.643 1.00 16.90 C ATOM 115 O SER A 18 49.238 20.561 -3.430 1.00 14.72 O ATOM 116 CB SER A 18 51.860 22.164 -4.455 1.00 17.11 C ATOM 117 OG SER A 18 52.782 22.584 -5.441 1.00 18.27 O ATOM 0 H SER A 18 50.134 21.894 -6.178 1.00 19.55 H new ATOM 0 HA SER A 18 51.839 20.218 -5.138 1.00 17.87 H new ATOM 0 HB2 SER A 18 51.193 22.855 -4.319 1.00 17.11 H new ATOM 0 HB3 SER A 18 52.321 22.045 -3.610 1.00 17.11 H new ATOM 0 HG SER A 18 53.560 22.563 -5.125 1.00 18.27 H new ATOM 118 N THR A 19 51.130 19.509 -2.836 1.00 16.87 N ATOM 119 CA THR A 19 50.547 18.998 -1.603 1.00 13.61 C ATOM 120 C THR A 19 51.579 19.086 -0.492 1.00 15.80 C ATOM 121 O THR A 19 52.741 18.722 -0.692 1.00 16.17 O ATOM 122 CB THR A 19 50.072 17.549 -1.762 1.00 19.30 C ATOM 123 OG1 THR A 19 48.960 17.511 -2.663 1.00 24.89 O ATOM 124 CG2 THR A 19 49.629 16.987 -0.418 1.00 21.55 C ATOM 0 H THR A 19 51.941 19.264 -2.982 1.00 16.87 H new ATOM 0 HA THR A 19 49.772 19.538 -1.383 1.00 13.61 H new ATOM 0 HB THR A 19 50.806 17.017 -2.108 1.00 19.30 H new ATOM 0 HG1 THR A 19 48.699 16.718 -2.753 1.00 24.89 H new ATOM 0 HG21 THR A 19 49.331 16.071 -0.532 1.00 21.55 H new ATOM 0 HG22 THR A 19 50.373 17.009 0.204 1.00 21.55 H new ATOM 0 HG23 THR A 19 48.900 17.522 -0.068 1.00 21.55 H new ATOM 125 N VAL A 20 51.145 19.579 0.667 1.00 13.03 N ATOM 126 CA VAL A 20 51.944 19.611 1.892 1.00 12.34 C ATOM 127 C VAL A 20 51.378 18.558 2.827 1.00 13.80 C ATOM 128 O VAL A 20 50.199 18.625 3.196 1.00 11.34 O ATOM 129 CB VAL A 20 51.912 20.993 2.556 1.00 14.46 C ATOM 130 CG1 VAL A 20 52.898 21.039 3.742 1.00 14.71 C ATOM 131 CG2 VAL A 20 52.221 22.073 1.523 1.00 12.17 C ATOM 0 H VAL A 20 50.358 19.912 0.765 1.00 13.03 H new ATOM 0 HA VAL A 20 52.873 19.428 1.683 1.00 12.34 H new ATOM 0 HB VAL A 20 51.024 21.162 2.907 1.00 14.46 H new ATOM 0 HG11 VAL A 20 52.869 21.917 4.153 1.00 14.71 H new ATOM 0 HG12 VAL A 20 52.649 20.367 4.396 1.00 14.71 H new ATOM 0 HG13 VAL A 20 53.797 20.862 3.423 1.00 14.71 H new ATOM 0 HG21 VAL A 20 52.199 22.944 1.949 1.00 12.17 H new ATOM 0 HG22 VAL A 20 53.102 21.919 1.147 1.00 12.17 H new ATOM 0 HG23 VAL A 20 51.558 22.043 0.815 1.00 12.17 H new ATOM 132 N THR A 21 52.199 17.576 3.197 1.00 11.06 N ATOM 133 CA THR A 21 51.747 16.495 4.058 1.00 13.59 C ATOM 134 C THR A 21 52.510 16.527 5.370 1.00 12.66 C ATOM 135 O THR A 21 53.738 16.683 5.396 1.00 13.64 O ATOM 136 CB THR A 21 51.926 15.125 3.390 1.00 20.01 C ATOM 137 OG1 THR A 21 51.378 15.179 2.070 1.00 25.80 O ATOM 138 CG2 THR A 21 51.190 14.049 4.186 1.00 21.00 C ATOM 0 H THR A 21 53.023 17.521 2.957 1.00 11.06 H new ATOM 0 HA THR A 21 50.800 16.625 4.224 1.00 13.59 H new ATOM 0 HB THR A 21 52.871 14.907 3.358 1.00 20.01 H new ATOM 0 HG1 THR A 21 51.974 15.419 1.529 1.00 25.80 H new ATOM 0 HG21 THR A 21 51.310 13.188 3.755 1.00 21.00 H new ATOM 0 HG22 THR A 21 51.547 14.011 5.087 1.00 21.00 H new ATOM 0 HG23 THR A 21 50.245 14.263 4.222 1.00 21.00 H new ATOM 139 N ILE A 22 51.776 16.348 6.453 1.00 11.16 N ATOM 140 CA ILE A 22 52.300 16.486 7.798 1.00 14.21 C ATOM 141 C ILE A 22 51.801 15.301 8.603 1.00 14.78 C ATOM 142 O ILE A 22 50.608 14.987 8.563 1.00 16.83 O ATOM 143 CB ILE A 22 51.835 17.810 8.433 1.00 14.64 C ATOM 144 CG1 ILE A 22 52.584 18.991 7.815 1.00 20.26 C ATOM 145 CG2 ILE A 22 51.951 17.765 9.931 1.00 20.46 C ATOM 146 CD1 ILE A 22 51.740 20.258 7.745 1.00 22.30 C ATOM 0 H ILE A 22 50.942 16.139 6.427 1.00 11.16 H new ATOM 0 HA ILE A 22 53.270 16.502 7.783 1.00 14.21 H new ATOM 0 HB ILE A 22 50.893 17.937 8.238 1.00 14.64 H new ATOM 0 HG12 ILE A 22 53.383 19.169 8.335 1.00 20.26 H new ATOM 0 HG13 ILE A 22 52.874 18.752 6.921 1.00 20.26 H new ATOM 0 HG21 ILE A 22 51.653 18.609 10.304 1.00 20.46 H new ATOM 0 HG22 ILE A 22 51.400 17.046 10.277 1.00 20.46 H new ATOM 0 HG23 ILE A 22 52.876 17.611 10.180 1.00 20.46 H new ATOM 0 HD11 ILE A 22 52.261 20.973 7.347 1.00 22.30 H new ATOM 0 HD12 ILE A 22 50.952 20.093 7.204 1.00 22.30 H new ATOM 0 HD13 ILE A 22 51.469 20.516 8.640 1.00 22.30 H new ATOM 147 N LYS A 23 52.701 14.634 9.319 1.00 11.29 N ATOM 148 CA LYS A 23 52.284 13.627 10.279 1.00 15.25 C ATOM 149 C LYS A 23 52.828 14.003 11.639 1.00 13.63 C ATOM 150 O LYS A 23 54.013 14.340 11.773 1.00 12.50 O ATOM 151 CB LYS A 23 52.737 12.220 9.888 1.00 16.23 C ATOM 152 CG LYS A 23 52.010 11.724 8.636 1.00 30.29 C ATOM 153 CD LYS A 23 52.481 10.362 8.136 1.00 36.66 C ATOM 154 CE LYS A 23 53.146 9.544 9.233 1.00 41.70 C ATOM 155 NZ LYS A 23 52.214 9.205 10.355 1.00 46.84 N ATOM 0 H LYS A 23 53.551 14.750 9.263 1.00 11.29 H new ATOM 0 HA LYS A 23 51.314 13.605 10.297 1.00 15.25 H new ATOM 0 HB2 LYS A 23 53.694 12.219 9.729 1.00 16.23 H new ATOM 0 HB3 LYS A 23 52.571 11.609 10.623 1.00 16.23 H new ATOM 0 HG2 LYS A 23 51.060 11.677 8.824 1.00 30.29 H new ATOM 0 HG3 LYS A 23 52.127 12.376 7.927 1.00 30.29 H new ATOM 0 HD2 LYS A 23 51.724 9.870 7.782 1.00 36.66 H new ATOM 0 HD3 LYS A 23 53.105 10.486 7.404 1.00 36.66 H new ATOM 0 HE2 LYS A 23 53.496 8.724 8.851 1.00 41.70 H new ATOM 0 HE3 LYS A 23 53.902 10.039 9.585 1.00 41.70 H new ATOM 0 HZ1 LYS A 23 52.563 9.482 11.125 1.00 46.84 H new ATOM 0 HZ2 LYS A 23 51.431 9.607 10.223 1.00 46.84 H new ATOM 0 HZ3 LYS A 23 52.093 8.324 10.385 1.00 46.84 H new ATOM 156 N GLY A 24 51.964 13.939 12.638 1.00 12.03 N ATOM 157 CA GLY A 24 52.376 14.334 13.962 1.00 13.00 C ATOM 158 C GLY A 24 51.409 13.869 15.022 1.00 11.49 C ATOM 159 O GLY A 24 50.454 13.143 14.748 1.00 11.31 O ATOM 0 H GLY A 24 51.149 13.674 12.569 1.00 12.03 H new ATOM 0 HA2 GLY A 24 53.256 13.970 14.147 1.00 13.00 H new ATOM 0 HA3 GLY A 24 52.455 15.300 14.000 1.00 13.00 H new ATOM 160 N ARG A 25 51.667 14.314 16.250 1.00 11.70 N ATOM 161 CA ARG A 25 50.828 13.915 17.361 1.00 11.71 C ATOM 162 C ARG A 25 50.734 15.073 18.342 1.00 8.65 C ATOM 163 O ARG A 25 51.748 15.734 18.597 1.00 10.92 O ATOM 164 CB ARG A 25 51.393 12.670 18.053 1.00 14.07 C ATOM 165 CG ARG A 25 50.372 11.889 18.863 1.00 23.71 C ATOM 166 CD ARG A 25 51.028 10.701 19.554 1.00 30.86 C ATOM 167 NE ARG A 25 50.035 9.747 20.048 1.00 39.07 N ATOM 168 CZ ARG A 25 49.952 8.485 19.626 1.00 40.38 C ATOM 169 NH1 ARG A 25 50.803 8.040 18.710 1.00 39.36 N ATOM 170 NH2 ARG A 25 49.022 7.671 20.117 1.00 45.89 N ATOM 0 H ARG A 25 52.316 14.841 16.454 1.00 11.70 H new ATOM 0 HA ARG A 25 49.943 13.691 17.032 1.00 11.71 H new ATOM 0 HB2 ARG A 25 51.774 12.084 17.381 1.00 14.07 H new ATOM 0 HB3 ARG A 25 52.118 12.939 18.639 1.00 14.07 H new ATOM 0 HG2 ARG A 25 49.965 12.470 19.525 1.00 23.71 H new ATOM 0 HG3 ARG A 25 49.660 11.578 18.282 1.00 23.71 H new ATOM 0 HD2 ARG A 25 51.625 10.255 18.934 1.00 30.86 H new ATOM 0 HD3 ARG A 25 51.571 11.016 20.294 1.00 30.86 H new ATOM 0 HE ARG A 25 49.474 10.015 20.643 1.00 39.07 H new ATOM 0 HH11 ARG A 25 51.405 8.565 18.391 1.00 39.36 H new ATOM 0 HH12 ARG A 25 50.753 7.227 18.435 1.00 39.36 H new ATOM 0 HH21 ARG A 25 48.469 7.958 20.710 1.00 45.89 H new ATOM 0 HH22 ARG A 25 48.973 6.858 19.841 1.00 45.89 H new ATOM 171 N PRO A 26 49.547 15.359 18.880 1.00 10.57 N ATOM 172 CA PRO A 26 49.437 16.422 19.881 1.00 13.84 C ATOM 173 C PRO A 26 50.246 16.072 21.119 1.00 14.18 C ATOM 174 O PRO A 26 50.370 14.904 21.494 1.00 14.54 O ATOM 175 CB PRO A 26 47.933 16.472 20.194 1.00 14.62 C ATOM 176 CG PRO A 26 47.264 15.790 19.026 1.00 13.76 C ATOM 177 CD PRO A 26 48.247 14.726 18.593 1.00 11.43 C ATOM 0 HA PRO A 26 49.780 17.275 19.572 1.00 13.84 H new ATOM 0 HB2 PRO A 26 47.733 16.017 21.027 1.00 14.62 H new ATOM 0 HB3 PRO A 26 47.625 17.387 20.289 1.00 14.62 H new ATOM 0 HG2 PRO A 26 46.414 15.401 19.284 1.00 13.76 H new ATOM 0 HG3 PRO A 26 47.083 16.416 18.308 1.00 13.76 H new ATOM 0 HD2 PRO A 26 48.129 13.901 19.090 1.00 11.43 H new ATOM 0 HD3 PRO A 26 48.151 14.507 17.653 1.00 11.43 H new ATOM 178 N LEU A 27 50.793 17.103 21.761 1.00 13.23 N ATOM 179 CA LEU A 27 51.597 16.925 22.967 1.00 15.15 C ATOM 180 C LEU A 27 50.774 16.861 24.246 1.00 17.53 C ATOM 181 O LEU A 27 51.352 16.635 25.315 1.00 18.88 O ATOM 182 CB LEU A 27 52.611 18.062 23.115 1.00 12.74 C ATOM 183 CG LEU A 27 53.597 18.233 21.962 1.00 15.38 C ATOM 184 CD1 LEU A 27 54.441 19.487 22.187 1.00 16.08 C ATOM 185 CD2 LEU A 27 54.473 16.989 21.804 1.00 18.76 C ATOM 0 H LEU A 27 50.709 17.921 21.510 1.00 13.23 H new ATOM 0 HA LEU A 27 52.042 16.071 22.852 1.00 15.15 H new ATOM 0 HB2 LEU A 27 52.124 18.893 23.227 1.00 12.74 H new ATOM 0 HB3 LEU A 27 53.116 17.917 23.930 1.00 12.74 H new ATOM 0 HG LEU A 27 53.101 18.341 21.135 1.00 15.38 H new ATOM 0 HD11 LEU A 27 55.066 19.593 21.453 1.00 16.08 H new ATOM 0 HD12 LEU A 27 53.862 20.264 22.232 1.00 16.08 H new ATOM 0 HD13 LEU A 27 54.932 19.402 23.019 1.00 16.08 H new ATOM 0 HD21 LEU A 27 55.091 17.119 21.067 1.00 18.76 H new ATOM 0 HD22 LEU A 27 54.973 16.839 22.622 1.00 18.76 H new ATOM 0 HD23 LEU A 27 53.912 16.219 21.623 1.00 18.76 H new ATOM 186 N ALA A 28 49.460 17.072 24.175 1.00 12.57 N ATOM 187 CA ALA A 28 48.604 17.025 25.357 1.00 15.55 C ATOM 188 C ALA A 28 47.277 16.386 24.987 1.00 16.76 C ATOM 189 O ALA A 28 46.875 16.366 23.817 1.00 10.85 O ATOM 190 CB ALA A 28 48.363 18.427 25.948 1.00 12.06 C ATOM 0 H ALA A 28 49.043 17.246 23.443 1.00 12.57 H new ATOM 0 HA ALA A 28 49.054 16.497 26.035 1.00 15.55 H new ATOM 0 HB1 ALA A 28 47.792 18.355 26.729 1.00 12.06 H new ATOM 0 HB2 ALA A 28 49.212 18.821 26.203 1.00 12.06 H new ATOM 0 HB3 ALA A 28 47.933 18.989 25.284 1.00 12.06 H new ATOM 191 N CYS A 29 46.599 15.849 26.004 1.00 13.15 N ATOM 192 CA CYS A 29 45.228 15.395 25.826 1.00 16.10 C ATOM 193 C CYS A 29 44.342 16.580 25.459 1.00 13.80 C ATOM 194 O CYS A 29 44.657 17.738 25.753 1.00 13.92 O ATOM 195 CB CYS A 29 44.715 14.727 27.103 1.00 20.80 C ATOM 196 SG CYS A 29 44.516 15.905 28.460 1.00 27.09 S ATOM 0 H CYS A 29 46.915 15.741 26.796 1.00 13.15 H new ATOM 0 HA CYS A 29 45.202 14.742 25.109 1.00 16.10 H new ATOM 0 HB2 CYS A 29 43.864 14.298 26.922 1.00 20.80 H new ATOM 0 HB3 CYS A 29 45.333 14.029 27.371 1.00 20.80 H new ATOM 0 HG CYS A 29 44.111 15.331 29.433 1.00 27.09 H new ATOM 197 N PHE A 30 43.219 16.281 24.801 1.00 9.79 N ATOM 198 CA PHE A 30 42.375 17.347 24.273 1.00 13.12 C ATOM 199 C PHE A 30 41.777 18.204 25.389 1.00 13.57 C ATOM 200 O PHE A 30 41.483 19.385 25.172 1.00 12.26 O ATOM 201 CB PHE A 30 41.270 16.757 23.388 1.00 12.78 C ATOM 202 CG PHE A 30 41.739 16.356 22.004 1.00 11.11 C ATOM 203 CD1 PHE A 30 43.089 16.251 21.709 1.00 12.25 C ATOM 204 CD2 PHE A 30 40.823 16.076 21.007 1.00 17.09 C ATOM 205 CE1 PHE A 30 43.518 15.885 20.439 1.00 15.93 C ATOM 206 CE2 PHE A 30 41.245 15.711 19.733 1.00 14.07 C ATOM 207 CZ PHE A 30 42.596 15.611 19.456 1.00 14.84 C ATOM 0 H PHE A 30 42.935 15.483 24.653 1.00 9.79 H new ATOM 0 HA PHE A 30 42.933 17.928 23.734 1.00 13.12 H new ATOM 0 HB2 PHE A 30 40.894 15.980 23.830 1.00 12.78 H new ATOM 0 HB3 PHE A 30 40.555 17.407 23.302 1.00 12.78 H new ATOM 0 HD1 PHE A 30 43.717 16.428 22.371 1.00 12.25 H new ATOM 0 HD2 PHE A 30 39.913 16.132 21.191 1.00 17.09 H new ATOM 0 HE1 PHE A 30 44.427 15.825 20.254 1.00 15.93 H new ATOM 0 HE2 PHE A 30 40.619 15.534 19.068 1.00 14.07 H new ATOM 0 HZ PHE A 30 42.880 15.359 18.607 1.00 14.84 H new ATOM 208 N LEU A 31 41.609 17.640 26.590 1.00 13.15 N ATOM 209 CA LEU A 31 41.094 18.418 27.718 1.00 13.15 C ATOM 210 C LEU A 31 41.977 19.627 28.017 1.00 12.29 C ATOM 211 O LEU A 31 41.484 20.667 28.472 1.00 10.56 O ATOM 212 CB LEU A 31 40.977 17.512 28.955 1.00 15.38 C ATOM 213 CG LEU A 31 40.222 18.034 30.175 1.00 18.34 C ATOM 214 CD1 LEU A 31 38.755 18.249 29.815 1.00 19.35 C ATOM 215 CD2 LEU A 31 40.364 17.070 31.374 1.00 15.87 C ATOM 0 H LEU A 31 41.786 16.818 26.769 1.00 13.15 H new ATOM 0 HA LEU A 31 40.216 18.756 27.482 1.00 13.15 H new ATOM 0 HB2 LEU A 31 40.551 16.686 28.676 1.00 15.38 H new ATOM 0 HB3 LEU A 31 41.876 17.285 29.240 1.00 15.38 H new ATOM 0 HG LEU A 31 40.608 18.883 30.442 1.00 18.34 H new ATOM 0 HD11 LEU A 31 38.276 18.581 30.591 1.00 19.35 H new ATOM 0 HD12 LEU A 31 38.690 18.895 29.095 1.00 19.35 H new ATOM 0 HD13 LEU A 31 38.365 17.408 29.530 1.00 19.35 H new ATOM 0 HD21 LEU A 31 39.876 17.424 32.134 1.00 15.87 H new ATOM 0 HD22 LEU A 31 40.004 16.201 31.136 1.00 15.87 H new ATOM 0 HD23 LEU A 31 41.301 16.978 31.606 1.00 15.87 H new ATOM 216 N ASN A 32 43.277 19.520 27.763 1.00 11.03 N ATOM 217 CA ASN A 32 44.185 20.633 27.975 1.00 13.87 C ATOM 218 C ASN A 32 44.342 21.505 26.727 1.00 14.77 C ATOM 219 O ASN A 32 45.162 22.427 26.740 1.00 12.67 O ATOM 220 CB ASN A 32 45.542 20.113 28.461 1.00 14.47 C ATOM 221 CG ASN A 32 45.455 19.532 29.870 1.00 18.89 C ATOM 222 OD1 ASN A 32 44.571 19.893 30.635 1.00 20.23 O ATOM 223 ND2 ASN A 32 46.372 18.633 30.212 1.00 18.07 N ATOM 0 H ASN A 32 43.652 18.806 27.466 1.00 11.03 H new ATOM 0 HA ASN A 32 43.800 21.202 28.659 1.00 13.87 H new ATOM 0 HB2 ASN A 32 45.865 19.433 27.850 1.00 14.47 H new ATOM 0 HB3 ASN A 32 46.189 20.836 28.449 1.00 14.47 H new ATOM 0 HD21 ASN A 32 46.358 18.282 30.997 1.00 18.07 H new ATOM 0 HD22 ASN A 32 46.979 18.402 29.648 1.00 18.07 H new ATOM 224 N GLU A 33 43.579 21.225 25.671 1.00 10.86 N ATOM 225 CA GLU A 33 43.460 22.109 24.515 1.00 12.20 C ATOM 226 C GLU A 33 44.804 22.457 23.865 1.00 9.99 C ATOM 227 O GLU A 33 45.152 23.633 23.745 1.00 9.94 O ATOM 228 CB GLU A 33 42.717 23.377 24.905 1.00 16.70 C ATOM 229 CG GLU A 33 41.234 23.152 25.222 1.00 24.65 C ATOM 230 CD GLU A 33 40.533 24.405 25.738 1.00 32.71 C ATOM 231 OE1 GLU A 33 41.033 25.525 25.496 1.00 35.26 O ATOM 232 OE2 GLU A 33 39.474 24.269 26.385 1.00 37.77 O ATOM 0 H GLU A 33 43.110 20.507 25.606 1.00 10.86 H new ATOM 0 HA GLU A 33 42.956 21.620 23.845 1.00 12.20 H new ATOM 0 HB2 GLU A 33 43.149 23.770 25.680 1.00 16.70 H new ATOM 0 HB3 GLU A 33 42.791 24.020 24.183 1.00 16.70 H new ATOM 0 HG2 GLU A 33 40.782 22.842 24.422 1.00 24.65 H new ATOM 0 HG3 GLU A 33 41.154 22.448 25.884 1.00 24.65 H new ATOM 233 N PRO A 34 45.560 21.463 23.403 1.00 10.42 N ATOM 234 CA PRO A 34 46.759 21.772 22.616 1.00 10.43 C ATOM 235 C PRO A 34 46.350 22.381 21.284 1.00 11.59 C ATOM 236 O PRO A 34 45.230 22.198 20.807 1.00 9.85 O ATOM 237 CB PRO A 34 47.428 20.412 22.422 1.00 8.46 C ATOM 238 CG PRO A 34 46.244 19.445 22.384 1.00 10.78 C ATOM 239 CD PRO A 34 45.226 20.024 23.360 1.00 11.30 C ATOM 0 HA PRO A 34 47.351 22.411 23.042 1.00 10.43 H new ATOM 0 HB2 PRO A 34 47.944 20.380 21.601 1.00 8.46 H new ATOM 0 HB3 PRO A 34 48.037 20.205 23.148 1.00 8.46 H new ATOM 0 HG2 PRO A 34 45.874 19.379 21.490 1.00 10.78 H new ATOM 0 HG3 PRO A 34 46.513 18.551 22.647 1.00 10.78 H new ATOM 0 HD2 PRO A 34 44.317 19.878 23.055 1.00 11.30 H new ATOM 0 HD3 PRO A 34 45.300 19.615 24.236 1.00 11.30 H new ATOM 240 N TYR A 35 47.270 23.139 20.700 1.00 9.85 N ATOM 241 CA TYR A 35 47.056 23.785 19.415 1.00 9.16 C ATOM 242 C TYR A 35 48.022 23.225 18.383 1.00 11.52 C ATOM 243 O TYR A 35 49.064 22.649 18.714 1.00 11.62 O ATOM 244 CB TYR A 35 47.258 25.309 19.490 1.00 11.47 C ATOM 245 CG TYR A 35 46.475 26.027 20.573 1.00 21.07 C ATOM 246 CD1 TYR A 35 45.113 25.844 20.727 1.00 28.29 C ATOM 247 CD2 TYR A 35 47.107 26.910 21.429 1.00 26.37 C ATOM 248 CE1 TYR A 35 44.408 26.526 21.721 1.00 27.58 C ATOM 249 CE2 TYR A 35 46.410 27.583 22.417 1.00 29.94 C ATOM 250 CZ TYR A 35 45.066 27.393 22.556 1.00 27.81 C ATOM 251 OH TYR A 35 44.400 28.079 23.550 1.00 34.71 O ATOM 0 H TYR A 35 48.043 23.294 21.043 1.00 9.85 H new ATOM 0 HA TYR A 35 46.137 23.606 19.160 1.00 9.16 H new ATOM 0 HB2 TYR A 35 48.202 25.487 19.625 1.00 11.47 H new ATOM 0 HB3 TYR A 35 47.017 25.693 18.632 1.00 11.47 H new ATOM 0 HD1 TYR A 35 44.661 25.260 20.162 1.00 28.29 H new ATOM 0 HD2 TYR A 35 48.021 27.055 21.339 1.00 26.37 H new ATOM 0 HE1 TYR A 35 43.493 26.392 21.817 1.00 27.58 H new ATOM 0 HE2 TYR A 35 46.858 28.165 22.987 1.00 29.94 H new ATOM 0 HH TYR A 35 43.572 28.027 23.420 1.00 34.71 H new ATOM 252 N LEU A 36 47.672 23.438 17.119 1.00 9.24 N ATOM 253 CA LEU A 36 48.539 23.165 15.989 1.00 8.91 C ATOM 254 C LEU A 36 48.368 24.314 15.012 1.00 9.35 C ATOM 255 O LEU A 36 47.244 24.762 14.765 1.00 8.64 O ATOM 256 CB LEU A 36 48.196 21.829 15.305 1.00 8.48 C ATOM 257 CG LEU A 36 48.657 21.722 13.841 1.00 11.59 C ATOM 258 CD1 LEU A 36 50.170 21.565 13.746 1.00 9.50 C ATOM 259 CD2 LEU A 36 47.937 20.609 13.105 1.00 9.40 C ATOM 0 H LEU A 36 46.904 23.753 16.893 1.00 9.24 H new ATOM 0 HA LEU A 36 49.457 23.089 16.293 1.00 8.91 H new ATOM 0 HB2 LEU A 36 48.599 21.107 15.812 1.00 8.48 H new ATOM 0 HB3 LEU A 36 47.235 21.699 15.340 1.00 8.48 H new ATOM 0 HG LEU A 36 48.420 22.555 13.403 1.00 11.59 H new ATOM 0 HD11 LEU A 36 50.431 21.500 12.814 1.00 9.50 H new ATOM 0 HD12 LEU A 36 50.601 22.335 14.149 1.00 9.50 H new ATOM 0 HD13 LEU A 36 50.442 20.760 14.214 1.00 9.50 H new ATOM 0 HD21 LEU A 36 48.251 20.571 12.188 1.00 9.40 H new ATOM 0 HD22 LEU A 36 48.116 19.762 13.543 1.00 9.40 H new ATOM 0 HD23 LEU A 36 46.982 20.781 13.112 1.00 9.40 H new ATOM 260 N GLN A 37 49.477 24.812 14.480 1.00 11.25 N ATOM 261 CA GLN A 37 49.418 25.901 13.519 1.00 7.95 C ATOM 262 C GLN A 37 50.277 25.553 12.318 1.00 7.18 C ATOM 263 O GLN A 37 51.411 25.094 12.478 1.00 7.81 O ATOM 264 CB GLN A 37 49.883 27.210 14.140 1.00 12.15 C ATOM 265 CG GLN A 37 49.721 28.416 13.231 1.00 12.69 C ATOM 266 CD GLN A 37 49.773 29.701 14.030 1.00 22.35 C ATOM 267 OE1 GLN A 37 49.047 29.858 15.018 1.00 21.47 O ATOM 268 NE2 GLN A 37 50.648 30.610 13.631 1.00 27.95 N ATOM 0 H GLN A 37 50.270 24.534 14.662 1.00 11.25 H new ATOM 0 HA GLN A 37 48.497 26.020 13.239 1.00 7.95 H new ATOM 0 HB2 GLN A 37 49.385 27.364 14.958 1.00 12.15 H new ATOM 0 HB3 GLN A 37 50.817 27.126 14.388 1.00 12.15 H new ATOM 0 HG2 GLN A 37 50.422 28.418 12.561 1.00 12.69 H new ATOM 0 HG3 GLN A 37 48.876 28.358 12.757 1.00 12.69 H new ATOM 0 HE21 GLN A 37 51.135 30.463 12.938 1.00 27.95 H new ATOM 0 HE22 GLN A 37 50.729 31.348 14.065 1.00 27.95 H new ATOM 269 N VAL A 38 49.729 25.759 11.123 1.00 8.86 N ATOM 270 CA VAL A 38 50.473 25.670 9.869 1.00 8.03 C ATOM 271 C VAL A 38 50.270 26.991 9.135 1.00 9.05 C ATOM 272 O VAL A 38 49.132 27.439 8.963 1.00 6.12 O ATOM 273 CB VAL A 38 50.013 24.482 8.999 1.00 7.79 C ATOM 274 CG1 VAL A 38 50.793 24.437 7.676 1.00 5.39 C ATOM 275 CG2 VAL A 38 50.174 23.150 9.760 1.00 9.72 C ATOM 0 H VAL A 38 48.899 25.958 11.016 1.00 8.86 H new ATOM 0 HA VAL A 38 51.412 25.513 10.056 1.00 8.03 H new ATOM 0 HB VAL A 38 49.073 24.609 8.796 1.00 7.79 H new ATOM 0 HG11 VAL A 38 50.488 23.684 7.146 1.00 5.39 H new ATOM 0 HG12 VAL A 38 50.644 25.260 7.184 1.00 5.39 H new ATOM 0 HG13 VAL A 38 51.740 24.339 7.862 1.00 5.39 H new ATOM 0 HG21 VAL A 38 49.880 22.417 9.196 1.00 9.72 H new ATOM 0 HG22 VAL A 38 51.106 23.022 9.995 1.00 9.72 H new ATOM 0 HG23 VAL A 38 49.637 23.172 10.568 1.00 9.72 H new ATOM 276 N ASP A 39 51.371 27.631 8.740 1.00 7.63 N ATOM 277 CA ASP A 39 51.324 28.935 8.094 1.00 9.74 C ATOM 278 C ASP A 39 52.123 28.881 6.801 1.00 9.65 C ATOM 279 O ASP A 39 53.273 28.426 6.804 1.00 10.97 O ATOM 280 CB ASP A 39 51.908 30.032 8.989 1.00 9.56 C ATOM 281 CG ASP A 39 51.010 30.387 10.166 1.00 14.87 C ATOM 282 OD1 ASP A 39 49.784 30.444 9.988 1.00 18.14 O ATOM 283 OD2 ASP A 39 51.536 30.639 11.276 1.00 23.74 O ATOM 0 H ASP A 39 52.166 27.318 8.841 1.00 7.63 H new ATOM 0 HA ASP A 39 50.394 29.148 7.918 1.00 9.74 H new ATOM 0 HB2 ASP A 39 52.771 29.743 9.324 1.00 9.56 H new ATOM 0 HB3 ASP A 39 52.063 30.828 8.456 1.00 9.56 H new ATOM 284 N PHE A 40 51.532 29.381 5.718 1.00 7.81 N ATOM 285 CA PHE A 40 52.213 29.529 4.430 1.00 10.12 C ATOM 286 C PHE A 40 52.647 30.990 4.301 1.00 9.49 C ATOM 287 O PHE A 40 51.801 31.872 4.123 1.00 8.64 O ATOM 288 CB PHE A 40 51.296 29.141 3.273 1.00 8.76 C ATOM 289 CG PHE A 40 50.876 27.676 3.251 1.00 9.14 C ATOM 290 CD1 PHE A 40 51.417 26.749 4.121 1.00 11.24 C ATOM 291 CD2 PHE A 40 49.960 27.231 2.298 1.00 11.31 C ATOM 292 CE1 PHE A 40 51.029 25.400 4.062 1.00 11.15 C ATOM 293 CE2 PHE A 40 49.563 25.895 2.241 1.00 11.66 C ATOM 294 CZ PHE A 40 50.098 24.983 3.131 1.00 9.76 C ATOM 0 H PHE A 40 50.714 29.647 5.709 1.00 7.81 H new ATOM 0 HA PHE A 40 52.982 28.939 4.393 1.00 10.12 H new ATOM 0 HB2 PHE A 40 50.499 29.692 3.311 1.00 8.76 H new ATOM 0 HB3 PHE A 40 51.745 29.348 2.438 1.00 8.76 H new ATOM 0 HD1 PHE A 40 52.044 27.021 4.752 1.00 11.24 H new ATOM 0 HD2 PHE A 40 49.607 27.838 1.688 1.00 11.31 H new ATOM 0 HE1 PHE A 40 51.401 24.785 4.652 1.00 11.15 H new ATOM 0 HE2 PHE A 40 48.941 25.619 1.607 1.00 11.66 H new ATOM 0 HZ PHE A 40 49.832 24.092 3.103 1.00 9.76 H new ATOM 295 N HIS A 41 53.954 31.244 4.397 1.00 7.35 N ATOM 296 CA HIS A 41 54.504 32.594 4.442 1.00 7.80 C ATOM 297 C HIS A 41 55.013 33.028 3.067 1.00 10.92 C ATOM 298 O HIS A 41 55.431 32.200 2.258 1.00 12.45 O ATOM 299 CB HIS A 41 55.664 32.674 5.442 1.00 9.08 C ATOM 300 CG HIS A 41 55.238 32.790 6.873 1.00 9.64 C ATOM 301 ND1 HIS A 41 55.132 34.000 7.522 1.00 11.70 N ATOM 302 CD2 HIS A 41 54.906 31.845 7.782 1.00 11.26 C ATOM 303 CE1 HIS A 41 54.752 33.797 8.773 1.00 14.55 C ATOM 304 NE2 HIS A 41 54.608 32.498 8.957 1.00 14.70 N ATOM 0 H HIS A 41 54.551 30.626 4.438 1.00 7.35 H new ATOM 0 HA HIS A 41 53.789 33.186 4.721 1.00 7.80 H new ATOM 0 HB2 HIS A 41 56.217 31.883 5.343 1.00 9.08 H new ATOM 0 HB3 HIS A 41 56.218 33.438 5.218 1.00 9.08 H new ATOM 0 HD2 HIS A 41 54.883 30.926 7.640 1.00 11.26 H new ATOM 0 HE1 HIS A 41 54.611 34.457 9.413 1.00 14.55 H new ATOM 0 HE2 HIS A 41 54.367 32.121 9.691 1.00 14.70 H new ATOM 305 N THR A 42 55.011 34.344 2.833 1.00 11.11 N ATOM 306 CA THR A 42 55.539 34.919 1.600 1.00 11.22 C ATOM 307 C THR A 42 57.052 35.135 1.620 1.00 14.03 C ATOM 308 O THR A 42 57.628 35.404 0.558 1.00 15.28 O ATOM 309 CB THR A 42 54.859 36.261 1.290 1.00 14.42 C ATOM 310 OG1 THR A 42 55.097 37.192 2.358 1.00 12.23 O ATOM 311 CG2 THR A 42 53.372 36.091 1.068 1.00 13.74 C ATOM 0 H THR A 42 54.703 34.925 3.387 1.00 11.11 H new ATOM 0 HA THR A 42 55.344 34.266 0.910 1.00 11.22 H new ATOM 0 HB THR A 42 55.244 36.608 0.470 1.00 14.42 H new ATOM 0 HG1 THR A 42 55.310 37.938 2.037 1.00 12.23 H new ATOM 0 HG21 THR A 42 52.973 36.954 0.875 1.00 13.74 H new ATOM 0 HG22 THR A 42 53.223 35.492 0.320 1.00 13.74 H new ATOM 0 HG23 THR A 42 52.966 35.719 1.866 1.00 13.74 H new ATOM 312 N GLU A 43 57.707 35.063 2.782 1.00 10.68 N ATOM 313 CA GLU A 43 59.161 35.188 2.855 1.00 15.95 C ATOM 314 C GLU A 43 59.680 34.234 3.922 1.00 17.18 C ATOM 315 O GLU A 43 58.913 33.679 4.712 1.00 14.70 O ATOM 316 CB GLU A 43 59.605 36.627 3.167 1.00 13.13 C ATOM 317 CG GLU A 43 59.074 37.696 2.211 1.00 20.00 C ATOM 318 CD GLU A 43 59.722 37.607 0.831 1.00 28.63 C ATOM 319 OE1 GLU A 43 60.800 36.978 0.723 1.00 28.43 O ATOM 320 OE2 GLU A 43 59.151 38.153 -0.145 1.00 28.56 O ATOM 0 H GLU A 43 57.323 34.941 3.542 1.00 10.68 H new ATOM 0 HA GLU A 43 59.532 34.961 1.988 1.00 15.95 H new ATOM 0 HB2 GLU A 43 59.321 36.849 4.067 1.00 13.13 H new ATOM 0 HB3 GLU A 43 60.574 36.660 3.159 1.00 13.13 H new ATOM 0 HG2 GLU A 43 58.113 37.600 2.122 1.00 20.00 H new ATOM 0 HG3 GLU A 43 59.238 38.575 2.588 1.00 20.00 H new ATOM 321 N MET A 44 61.004 34.053 3.957 1.00 14.66 N ATOM 322 CA MET A 44 61.570 33.161 4.963 1.00 13.92 C ATOM 323 C MET A 44 61.412 33.730 6.363 1.00 19.06 C ATOM 324 O MET A 44 61.342 32.967 7.328 1.00 20.74 O ATOM 325 CB MET A 44 63.046 32.877 4.678 1.00 17.48 C ATOM 326 CG MET A 44 63.284 32.067 3.416 1.00 22.42 C ATOM 327 SD MET A 44 62.511 30.435 3.524 1.00 32.95 S ATOM 328 CE MET A 44 63.327 29.717 4.929 1.00 22.56 C ATOM 0 H MET A 44 61.571 34.424 3.427 1.00 14.66 H new ATOM 0 HA MET A 44 61.077 32.327 4.916 1.00 13.92 H new ATOM 0 HB2 MET A 44 63.520 33.720 4.605 1.00 17.48 H new ATOM 0 HB3 MET A 44 63.427 32.402 5.433 1.00 17.48 H new ATOM 0 HG2 MET A 44 62.928 32.545 2.651 1.00 22.42 H new ATOM 0 HG3 MET A 44 64.238 31.966 3.269 1.00 22.42 H new ATOM 0 HE1 MET A 44 63.471 28.771 4.771 1.00 22.56 H new ATOM 0 HE2 MET A 44 64.182 30.155 5.066 1.00 22.56 H new ATOM 0 HE3 MET A 44 62.775 29.833 5.718 1.00 22.56 H new ATOM 329 N LYS A 45 61.351 35.053 6.496 1.00 18.02 N ATOM 330 CA LYS A 45 61.213 35.673 7.811 1.00 20.65 C ATOM 331 C LYS A 45 59.825 35.411 8.391 1.00 17.85 C ATOM 332 O LYS A 45 58.815 35.518 7.694 1.00 14.61 O ATOM 333 CB LYS A 45 61.469 37.179 7.713 1.00 22.33 C ATOM 334 CG LYS A 45 62.820 37.535 7.111 1.00 35.54 C ATOM 335 CD LYS A 45 63.354 38.841 7.681 1.00 49.76 C ATOM 336 CE LYS A 45 64.863 38.784 7.898 1.00 56.88 C ATOM 337 NZ LYS A 45 65.224 38.051 9.151 1.00 54.19 N ATOM 0 H LYS A 45 61.388 35.607 5.840 1.00 18.02 H new ATOM 0 HA LYS A 45 61.871 35.279 8.405 1.00 20.65 H new ATOM 0 HB2 LYS A 45 60.769 37.583 7.177 1.00 22.33 H new ATOM 0 HB3 LYS A 45 61.407 37.567 8.600 1.00 22.33 H new ATOM 0 HG2 LYS A 45 63.453 36.821 7.286 1.00 35.54 H new ATOM 0 HG3 LYS A 45 62.737 37.610 6.147 1.00 35.54 H new ATOM 0 HD2 LYS A 45 63.141 39.570 7.077 1.00 49.76 H new ATOM 0 HD3 LYS A 45 62.912 39.032 8.523 1.00 49.76 H new ATOM 0 HE2 LYS A 45 65.282 38.349 7.139 1.00 56.88 H new ATOM 0 HE3 LYS A 45 65.217 39.686 7.939 1.00 56.88 H new ATOM 0 HZ1 LYS A 45 66.109 38.038 9.243 1.00 54.19 H new ATOM 0 HZ2 LYS A 45 64.859 38.462 9.851 1.00 54.19 H new ATOM 0 HZ3 LYS A 45 64.919 37.216 9.105 1.00 54.19 H new ATOM 338 N GLU A 46 59.777 35.068 9.684 1.00 17.07 N ATOM 339 CA GLU A 46 58.511 34.691 10.306 1.00 17.58 C ATOM 340 C GLU A 46 57.526 35.853 10.406 1.00 16.08 C ATOM 341 O GLU A 46 56.323 35.615 10.558 1.00 11.48 O ATOM 342 CB GLU A 46 58.770 34.124 11.712 1.00 21.15 C ATOM 343 CG GLU A 46 59.232 35.194 12.695 1.00 23.88 C ATOM 344 CD GLU A 46 59.397 34.677 14.127 1.00 38.99 C ATOM 345 OE1 GLU A 46 58.781 33.643 14.480 1.00 26.02 O ATOM 346 OE2 GLU A 46 60.155 35.314 14.895 1.00 42.30 O ATOM 0 H GLU A 46 60.458 35.048 10.208 1.00 17.07 H new ATOM 0 HA GLU A 46 58.108 34.019 9.734 1.00 17.58 H new ATOM 0 HB2 GLU A 46 57.958 33.711 12.046 1.00 21.15 H new ATOM 0 HB3 GLU A 46 59.442 33.427 11.658 1.00 21.15 H new ATOM 0 HG2 GLU A 46 60.078 35.559 12.391 1.00 23.88 H new ATOM 0 HG3 GLU A 46 58.592 35.923 12.694 1.00 23.88 H new ATOM 347 N GLU A 47 57.997 37.098 10.334 1.00 15.28 N ATOM 348 CA GLU A 47 57.088 38.232 10.401 1.00 16.63 C ATOM 349 C GLU A 47 56.504 38.589 9.041 1.00 14.07 C ATOM 350 O GLU A 47 55.685 39.508 8.952 1.00 13.62 O ATOM 351 CB GLU A 47 57.785 39.446 11.033 1.00 21.53 C ATOM 352 CG GLU A 47 58.886 40.085 10.203 1.00 28.81 C ATOM 353 CD GLU A 47 60.240 39.381 10.312 1.00 36.18 C ATOM 354 OE1 GLU A 47 60.345 38.298 10.944 1.00 28.51 O ATOM 355 OE2 GLU A 47 61.219 39.948 9.780 1.00 45.87 O ATOM 0 H GLU A 47 58.828 37.302 10.248 1.00 15.28 H new ATOM 0 HA GLU A 47 56.344 37.969 10.966 1.00 16.63 H new ATOM 0 HB2 GLU A 47 57.114 40.120 11.222 1.00 21.53 H new ATOM 0 HB3 GLU A 47 58.162 39.174 11.884 1.00 21.53 H new ATOM 0 HG2 GLU A 47 58.612 40.095 9.273 1.00 28.81 H new ATOM 0 HG3 GLU A 47 58.990 41.009 10.478 1.00 28.81 H new ATOM 356 N SER A 48 56.878 37.863 7.991 1.00 11.88 N ATOM 357 CA SER A 48 56.322 38.095 6.671 1.00 10.00 C ATOM 358 C SER A 48 54.831 37.734 6.635 1.00 11.84 C ATOM 359 O SER A 48 54.289 37.096 7.541 1.00 10.89 O ATOM 360 CB SER A 48 57.086 37.282 5.625 1.00 11.07 C ATOM 361 OG SER A 48 56.827 35.889 5.781 1.00 10.71 O ATOM 0 H SER A 48 57.457 37.228 8.027 1.00 11.88 H new ATOM 0 HA SER A 48 56.413 39.039 6.465 1.00 10.00 H new ATOM 0 HB2 SER A 48 56.826 37.566 4.735 1.00 11.07 H new ATOM 0 HB3 SER A 48 58.038 37.450 5.710 1.00 11.07 H new ATOM 0 HG SER A 48 57.364 35.565 6.340 1.00 10.71 H new ATOM 362 N ASP A 49 54.178 38.155 5.555 1.00 8.64 N ATOM 363 CA ASP A 49 52.757 37.928 5.329 1.00 13.03 C ATOM 364 C ASP A 49 52.433 36.441 5.238 1.00 8.68 C ATOM 365 O ASP A 49 53.278 35.608 4.919 1.00 7.93 O ATOM 366 CB ASP A 49 52.313 38.600 4.034 1.00 9.13 C ATOM 367 CG ASP A 49 52.116 40.083 4.202 1.00 15.49 C ATOM 368 OD1 ASP A 49 52.236 40.568 5.359 1.00 14.28 O ATOM 369 OD2 ASP A 49 51.845 40.759 3.189 1.00 17.41 O ATOM 0 H ASP A 49 54.560 38.591 4.919 1.00 8.64 H new ATOM 0 HA ASP A 49 52.283 38.308 6.085 1.00 13.03 H new ATOM 0 HB2 ASP A 49 52.976 38.439 3.344 1.00 9.13 H new ATOM 0 HB3 ASP A 49 51.484 38.198 3.730 1.00 9.13 H new ATOM 370 N ILE A 50 51.174 36.118 5.498 1.00 8.89 N ATOM 371 CA ILE A 50 50.723 34.743 5.549 1.00 7.76 C ATOM 372 C ILE A 50 49.605 34.588 4.533 1.00 9.95 C ATOM 373 O ILE A 50 48.529 35.182 4.673 1.00 9.06 O ATOM 374 CB ILE A 50 50.270 34.341 6.957 1.00 10.26 C ATOM 375 CG1 ILE A 50 51.480 34.395 7.908 1.00 10.13 C ATOM 376 CG2 ILE A 50 49.644 32.946 6.925 1.00 8.01 C ATOM 377 CD1 ILE A 50 51.138 34.227 9.422 1.00 8.91 C ATOM 0 H ILE A 50 50.556 36.696 5.650 1.00 8.89 H new ATOM 0 HA ILE A 50 51.456 34.147 5.331 1.00 7.76 H new ATOM 0 HB ILE A 50 49.595 34.958 7.280 1.00 10.26 H new ATOM 0 HG12 ILE A 50 52.106 33.699 7.653 1.00 10.13 H new ATOM 0 HG13 ILE A 50 51.933 35.244 7.785 1.00 10.13 H new ATOM 0 HG21 ILE A 50 49.360 32.698 7.819 1.00 8.01 H new ATOM 0 HG22 ILE A 50 48.877 32.949 6.331 1.00 8.01 H new ATOM 0 HG23 ILE A 50 50.298 32.305 6.605 1.00 8.01 H new ATOM 0 HD11 ILE A 50 51.953 34.273 9.945 1.00 8.91 H new ATOM 0 HD12 ILE A 50 50.536 34.936 9.699 1.00 8.91 H new ATOM 0 HD13 ILE A 50 50.712 33.367 9.564 1.00 8.91 H new ATOM 378 N VAL A 51 49.879 33.801 3.498 1.00 7.31 N ATOM 379 CA VAL A 51 48.900 33.502 2.463 1.00 10.73 C ATOM 380 C VAL A 51 47.795 32.609 3.014 1.00 11.24 C ATOM 381 O VAL A 51 46.615 32.740 2.653 1.00 10.20 O ATOM 382 CB VAL A 51 49.636 32.845 1.280 1.00 12.48 C ATOM 383 CG1 VAL A 51 48.674 32.194 0.342 1.00 16.79 C ATOM 384 CG2 VAL A 51 50.510 33.871 0.574 1.00 13.92 C ATOM 0 H VAL A 51 50.642 33.424 3.377 1.00 7.31 H new ATOM 0 HA VAL A 51 48.471 34.316 2.156 1.00 10.73 H new ATOM 0 HB VAL A 51 50.213 32.144 1.622 1.00 12.48 H new ATOM 0 HG11 VAL A 51 49.162 31.789 -0.392 1.00 16.79 H new ATOM 0 HG12 VAL A 51 48.174 31.510 0.814 1.00 16.79 H new ATOM 0 HG13 VAL A 51 48.060 32.860 -0.006 1.00 16.79 H new ATOM 0 HG21 VAL A 51 50.969 33.449 -0.169 1.00 13.92 H new ATOM 0 HG22 VAL A 51 49.956 34.595 0.242 1.00 13.92 H new ATOM 0 HG23 VAL A 51 51.163 34.225 1.198 1.00 13.92 H new ATOM 385 N PHE A 52 48.160 31.674 3.885 1.00 7.34 N ATOM 386 CA PHE A 52 47.200 30.736 4.448 1.00 10.19 C ATOM 387 C PHE A 52 47.657 30.422 5.862 1.00 8.68 C ATOM 388 O PHE A 52 48.784 29.960 6.056 1.00 7.52 O ATOM 389 CB PHE A 52 47.109 29.459 3.600 1.00 7.35 C ATOM 390 CG PHE A 52 46.147 28.434 4.142 1.00 12.63 C ATOM 391 CD1 PHE A 52 44.899 28.811 4.593 1.00 12.50 C ATOM 392 CD2 PHE A 52 46.497 27.093 4.202 1.00 12.06 C ATOM 393 CE1 PHE A 52 44.001 27.874 5.081 1.00 8.54 C ATOM 394 CE2 PHE A 52 45.614 26.154 4.692 1.00 13.94 C ATOM 395 CZ PHE A 52 44.358 26.547 5.135 1.00 8.84 C ATOM 0 H PHE A 52 48.966 31.567 4.164 1.00 7.34 H new ATOM 0 HA PHE A 52 46.311 31.124 4.456 1.00 10.19 H new ATOM 0 HB2 PHE A 52 46.840 29.698 2.699 1.00 7.35 H new ATOM 0 HB3 PHE A 52 47.991 29.060 3.536 1.00 7.35 H new ATOM 0 HD1 PHE A 52 44.656 29.708 4.569 1.00 12.50 H new ATOM 0 HD2 PHE A 52 47.337 26.824 3.908 1.00 12.06 H new ATOM 0 HE1 PHE A 52 43.159 28.142 5.371 1.00 8.54 H new ATOM 0 HE2 PHE A 52 45.860 25.258 4.726 1.00 13.94 H new ATOM 0 HZ PHE A 52 43.761 25.916 5.467 1.00 8.84 H new ATOM 396 N HIS A 53 46.785 30.695 6.832 1.00 6.80 N ATOM 397 CA HIS A 53 47.025 30.467 8.248 1.00 8.95 C ATOM 398 C HIS A 53 45.979 29.460 8.698 1.00 10.86 C ATOM 399 O HIS A 53 44.781 29.693 8.511 1.00 8.77 O ATOM 400 CB HIS A 53 46.905 31.786 9.019 1.00 9.42 C ATOM 401 CG HIS A 53 46.665 31.630 10.486 1.00 14.76 C ATOM 402 ND1 HIS A 53 47.661 31.266 11.368 1.00 13.59 N ATOM 403 CD2 HIS A 53 45.558 31.845 11.235 1.00 13.02 C ATOM 404 CE1 HIS A 53 47.168 31.235 12.596 1.00 18.85 C ATOM 405 NE2 HIS A 53 45.894 31.582 12.542 1.00 16.80 N ATOM 0 H HIS A 53 46.009 31.031 6.673 1.00 6.80 H new ATOM 0 HA HIS A 53 47.918 30.127 8.415 1.00 8.95 H new ATOM 0 HB2 HIS A 53 47.719 32.298 8.889 1.00 9.42 H new ATOM 0 HB3 HIS A 53 46.179 32.305 8.638 1.00 9.42 H new ATOM 0 HD1 HIS A 53 48.474 31.087 11.154 1.00 13.59 H new ATOM 0 HD2 HIS A 53 44.726 32.119 10.924 1.00 13.02 H new ATOM 0 HE1 HIS A 53 47.638 31.008 13.366 1.00 18.85 H new ATOM 406 N PHE A 54 46.431 28.331 9.238 1.00 7.97 N ATOM 407 CA PHE A 54 45.571 27.222 9.639 1.00 7.52 C ATOM 408 C PHE A 54 45.897 26.902 11.093 1.00 8.20 C ATOM 409 O PHE A 54 47.028 26.514 11.392 1.00 9.09 O ATOM 410 CB PHE A 54 45.827 26.011 8.733 1.00 8.11 C ATOM 411 CG PHE A 54 45.034 24.789 9.097 1.00 12.18 C ATOM 412 CD1 PHE A 54 43.704 24.672 8.730 1.00 11.45 C ATOM 413 CD2 PHE A 54 45.630 23.746 9.792 1.00 11.95 C ATOM 414 CE1 PHE A 54 42.970 23.541 9.067 1.00 10.86 C ATOM 415 CE2 PHE A 54 44.903 22.611 10.128 1.00 14.02 C ATOM 416 CZ PHE A 54 43.572 22.511 9.766 1.00 12.53 C ATOM 0 H PHE A 54 47.266 28.186 9.385 1.00 7.97 H new ATOM 0 HA PHE A 54 44.633 27.454 9.553 1.00 7.52 H new ATOM 0 HB2 PHE A 54 45.622 26.256 7.817 1.00 8.11 H new ATOM 0 HB3 PHE A 54 46.771 25.792 8.763 1.00 8.11 H new ATOM 0 HD1 PHE A 54 43.297 25.358 8.252 1.00 11.45 H new ATOM 0 HD2 PHE A 54 46.525 23.808 10.035 1.00 11.95 H new ATOM 0 HE1 PHE A 54 42.075 23.477 8.823 1.00 10.86 H new ATOM 0 HE2 PHE A 54 45.311 21.919 10.596 1.00 14.02 H new ATOM 0 HZ PHE A 54 43.083 21.753 9.992 1.00 12.53 H new ATOM 417 N GLN A 55 44.939 27.084 12.005 1.00 8.22 N ATOM 418 CA GLN A 55 45.204 26.904 13.430 1.00 11.22 C ATOM 419 C GLN A 55 44.115 26.050 14.059 1.00 13.16 C ATOM 420 O GLN A 55 42.946 26.449 14.077 1.00 10.62 O ATOM 421 CB GLN A 55 45.307 28.245 14.163 1.00 12.60 C ATOM 422 CG GLN A 55 45.736 28.077 15.629 1.00 15.65 C ATOM 423 CD GLN A 55 46.112 29.385 16.313 1.00 20.34 C ATOM 424 OE1 GLN A 55 46.329 30.410 15.665 1.00 20.20 O ATOM 425 NE2 GLN A 55 46.194 29.349 17.635 1.00 21.39 N ATOM 0 H GLN A 55 44.131 27.311 11.817 1.00 8.22 H new ATOM 0 HA GLN A 55 46.059 26.454 13.516 1.00 11.22 H new ATOM 0 HB2 GLN A 55 45.945 28.814 13.705 1.00 12.60 H new ATOM 0 HB3 GLN A 55 44.449 28.697 14.129 1.00 12.60 H new ATOM 0 HG2 GLN A 55 45.013 27.660 16.123 1.00 15.65 H new ATOM 0 HG3 GLN A 55 46.493 27.472 15.668 1.00 15.65 H new ATOM 0 HE21 GLN A 55 46.036 28.616 18.056 1.00 21.39 H new ATOM 0 HE22 GLN A 55 46.405 30.059 18.072 1.00 21.39 H new ATOM 426 N VAL A 56 44.512 24.907 14.606 1.00 8.46 N ATOM 427 CA VAL A 56 43.603 23.960 15.236 1.00 9.70 C ATOM 428 C VAL A 56 43.724 24.119 16.743 1.00 12.13 C ATOM 429 O VAL A 56 44.833 24.064 17.287 1.00 11.34 O ATOM 430 CB VAL A 56 43.937 22.513 14.828 1.00 11.73 C ATOM 431 CG1 VAL A 56 43.027 21.524 15.553 1.00 13.06 C ATOM 432 CG2 VAL A 56 43.842 22.328 13.329 1.00 10.77 C ATOM 0 H VAL A 56 45.334 24.656 14.621 1.00 8.46 H new ATOM 0 HA VAL A 56 42.695 24.142 14.946 1.00 9.70 H new ATOM 0 HB VAL A 56 44.854 22.335 15.091 1.00 11.73 H new ATOM 0 HG11 VAL A 56 43.252 20.620 15.284 1.00 13.06 H new ATOM 0 HG12 VAL A 56 43.148 21.615 16.511 1.00 13.06 H new ATOM 0 HG13 VAL A 56 42.102 21.708 15.325 1.00 13.06 H new ATOM 0 HG21 VAL A 56 44.057 21.410 13.102 1.00 10.77 H new ATOM 0 HG22 VAL A 56 42.940 22.531 13.034 1.00 10.77 H new ATOM 0 HG23 VAL A 56 44.468 22.924 12.889 1.00 10.77 H new ATOM 433 N CYS A 57 42.599 24.309 17.419 1.00 12.54 N ATOM 434 CA CYS A 57 42.527 24.087 18.864 1.00 11.91 C ATOM 435 C CYS A 57 41.900 22.710 19.040 1.00 10.70 C ATOM 436 O CYS A 57 40.692 22.546 18.854 1.00 14.42 O ATOM 437 CB CYS A 57 41.727 25.170 19.575 1.00 17.95 C ATOM 438 SG CYS A 57 41.639 24.850 21.395 1.00 30.16 S ATOM 0 H CYS A 57 41.861 24.568 17.061 1.00 12.54 H new ATOM 0 HA CYS A 57 43.409 24.128 19.266 1.00 11.91 H new ATOM 0 HB2 CYS A 57 42.136 26.035 19.415 1.00 17.95 H new ATOM 0 HB3 CYS A 57 40.830 25.208 19.207 1.00 17.95 H new ATOM 0 HG CYS A 57 42.656 25.218 21.916 1.00 30.16 H new ATOM 439 N PHE A 58 42.739 21.708 19.330 1.00 13.86 N ATOM 440 CA PHE A 58 42.301 20.316 19.286 1.00 11.67 C ATOM 441 C PHE A 58 41.114 20.102 20.218 1.00 13.96 C ATOM 442 O PHE A 58 41.156 20.470 21.397 1.00 16.43 O ATOM 443 CB PHE A 58 43.449 19.370 19.667 1.00 12.40 C ATOM 444 CG PHE A 58 44.492 19.190 18.588 1.00 10.31 C ATOM 445 CD1 PHE A 58 44.245 18.390 17.481 1.00 14.15 C ATOM 446 CD2 PHE A 58 45.726 19.803 18.699 1.00 10.03 C ATOM 447 CE1 PHE A 58 45.207 18.220 16.499 1.00 13.56 C ATOM 448 CE2 PHE A 58 46.701 19.639 17.724 1.00 11.21 C ATOM 449 CZ PHE A 58 46.441 18.851 16.619 1.00 10.00 C ATOM 0 H PHE A 58 43.562 21.817 19.553 1.00 13.86 H new ATOM 0 HA PHE A 58 42.026 20.115 18.378 1.00 11.67 H new ATOM 0 HB2 PHE A 58 43.881 19.709 20.466 1.00 12.40 H new ATOM 0 HB3 PHE A 58 43.078 18.502 19.891 1.00 12.40 H new ATOM 0 HD1 PHE A 58 43.423 17.963 17.398 1.00 14.15 H new ATOM 0 HD2 PHE A 58 45.906 20.335 19.440 1.00 10.03 H new ATOM 0 HE1 PHE A 58 45.028 17.684 15.760 1.00 13.56 H new ATOM 0 HE2 PHE A 58 47.526 20.058 17.814 1.00 11.21 H new ATOM 0 HZ PHE A 58 47.087 18.743 15.959 1.00 10.00 H new ATOM 450 N GLY A 59 40.040 19.527 19.673 1.00 18.10 N ATOM 451 CA GLY A 59 38.823 19.299 20.424 1.00 19.26 C ATOM 452 C GLY A 59 37.838 20.451 20.441 1.00 20.67 C ATOM 453 O GLY A 59 36.725 20.283 20.952 1.00 19.69 O ATOM 0 H GLY A 59 40.005 19.261 18.856 1.00 18.10 H new ATOM 0 HA2 GLY A 59 38.377 18.519 20.058 1.00 19.26 H new ATOM 0 HA3 GLY A 59 39.062 19.085 21.339 1.00 19.26 H new ATOM 454 N ARG A 60 38.198 21.617 19.900 1.00 14.74 N ATOM 455 CA ARG A 60 37.330 22.789 19.999 1.00 14.33 C ATOM 456 C ARG A 60 36.989 23.347 18.624 1.00 20.15 C ATOM 457 O ARG A 60 35.848 23.206 18.177 1.00 25.14 O ATOM 458 CB ARG A 60 37.976 23.854 20.888 1.00 17.65 C ATOM 0 H ARG A 60 38.934 21.748 19.475 1.00 14.74 H new ATOM 0 HA ARG A 60 36.495 22.514 20.410 1.00 14.33 H new ATOM 459 N ARG A 61 37.933 23.975 17.934 1.00 15.40 N ATOM 460 CA ARG A 61 37.592 24.676 16.707 1.00 12.87 C ATOM 461 C ARG A 61 38.849 24.845 15.867 1.00 13.46 C ATOM 462 O ARG A 61 39.974 24.625 16.331 1.00 12.26 O ATOM 463 CB ARG A 61 36.978 26.041 17.015 1.00 16.10 C ATOM 464 CG ARG A 61 37.970 26.943 17.708 1.00 24.82 C ATOM 465 CD ARG A 61 37.449 28.347 17.932 1.00 33.84 C ATOM 466 NE ARG A 61 38.546 29.227 18.325 1.00 39.39 N ATOM 467 CZ ARG A 61 38.527 30.549 18.205 1.00 42.22 C ATOM 468 NH1 ARG A 61 37.461 31.153 17.701 1.00 42.76 N ATOM 469 NH2 ARG A 61 39.578 31.266 18.584 1.00 44.47 N ATOM 0 H ARG A 61 38.763 24.007 18.155 1.00 15.40 H new ATOM 0 HA ARG A 61 36.936 24.156 16.216 1.00 12.87 H new ATOM 0 HB2 ARG A 61 36.679 26.457 16.191 1.00 16.10 H new ATOM 0 HB3 ARG A 61 36.195 25.927 17.575 1.00 16.10 H new ATOM 0 HG2 ARG A 61 38.209 26.553 18.563 1.00 24.82 H new ATOM 0 HG3 ARG A 61 38.782 26.987 17.179 1.00 24.82 H new ATOM 0 HD2 ARG A 61 37.032 28.679 17.122 1.00 33.84 H new ATOM 0 HD3 ARG A 61 36.766 28.341 18.621 1.00 33.84 H new ATOM 0 HE ARG A 61 39.252 28.864 18.657 1.00 39.39 H new ATOM 0 HH11 ARG A 61 36.781 30.689 17.452 1.00 42.76 H new ATOM 0 HH12 ARG A 61 37.449 32.009 17.623 1.00 42.76 H new ATOM 0 HH21 ARG A 61 40.272 30.874 18.908 1.00 44.47 H new ATOM 0 HH22 ARG A 61 39.565 32.122 18.506 1.00 44.47 H new ATOM 470 N VAL A 62 38.636 25.256 14.626 1.00 11.04 N ATOM 471 CA VAL A 62 39.712 25.563 13.697 1.00 12.42 C ATOM 472 C VAL A 62 39.465 26.964 13.174 1.00 14.01 C ATOM 473 O VAL A 62 38.316 27.333 12.902 1.00 11.47 O ATOM 474 CB VAL A 62 39.779 24.547 12.537 1.00 15.71 C ATOM 475 CG1 VAL A 62 40.702 25.051 11.420 1.00 11.92 C ATOM 476 CG2 VAL A 62 40.240 23.182 13.056 1.00 15.11 C ATOM 0 H VAL A 62 37.850 25.366 14.294 1.00 11.04 H new ATOM 0 HA VAL A 62 40.567 25.508 14.152 1.00 12.42 H new ATOM 0 HB VAL A 62 38.890 24.448 12.162 1.00 15.71 H new ATOM 0 HG11 VAL A 62 40.729 24.398 10.703 1.00 11.92 H new ATOM 0 HG12 VAL A 62 40.365 25.893 11.077 1.00 11.92 H new ATOM 0 HG13 VAL A 62 41.596 25.180 11.773 1.00 11.92 H new ATOM 0 HG21 VAL A 62 40.279 22.552 12.320 1.00 15.11 H new ATOM 0 HG22 VAL A 62 41.120 23.267 13.454 1.00 15.11 H new ATOM 0 HG23 VAL A 62 39.614 22.861 13.723 1.00 15.11 H new ATOM 477 N VAL A 63 40.540 27.748 13.049 1.00 11.53 N ATOM 478 CA VAL A 63 40.460 29.079 12.464 1.00 14.56 C ATOM 479 C VAL A 63 41.435 29.159 11.300 1.00 14.58 C ATOM 480 O VAL A 63 42.519 28.564 11.320 1.00 10.51 O ATOM 481 CB VAL A 63 40.725 30.202 13.496 1.00 16.34 C ATOM 482 CG1 VAL A 63 39.771 30.064 14.680 1.00 19.71 C ATOM 483 CG2 VAL A 63 42.157 30.192 13.974 1.00 14.64 C ATOM 0 H VAL A 63 41.330 27.520 13.301 1.00 11.53 H new ATOM 0 HA VAL A 63 39.554 29.221 12.148 1.00 14.56 H new ATOM 0 HB VAL A 63 40.567 31.052 13.056 1.00 16.34 H new ATOM 0 HG11 VAL A 63 39.945 30.772 15.320 1.00 19.71 H new ATOM 0 HG12 VAL A 63 38.855 30.130 14.367 1.00 19.71 H new ATOM 0 HG13 VAL A 63 39.906 29.203 15.106 1.00 19.71 H new ATOM 0 HG21 VAL A 63 42.289 30.906 14.617 1.00 14.64 H new ATOM 0 HG22 VAL A 63 42.352 29.339 14.393 1.00 14.64 H new ATOM 0 HG23 VAL A 63 42.751 30.324 13.219 1.00 14.64 H new ATOM 484 N MET A 64 41.013 29.863 10.253 1.00 10.48 N ATOM 485 CA MET A 64 41.830 30.069 9.072 1.00 12.68 C ATOM 486 C MET A 64 41.757 31.544 8.698 1.00 15.86 C ATOM 487 O MET A 64 40.741 32.206 8.938 1.00 12.44 O ATOM 488 CB MET A 64 41.380 29.176 7.907 1.00 10.18 C ATOM 489 CG MET A 64 41.640 27.675 8.135 1.00 13.04 C ATOM 490 SD MET A 64 40.769 26.633 6.928 1.00 16.56 S ATOM 491 CE MET A 64 39.114 26.723 7.616 1.00 14.73 C ATOM 0 H MET A 64 40.239 30.235 10.212 1.00 10.48 H new ATOM 0 HA MET A 64 42.748 29.821 9.265 1.00 12.68 H new ATOM 0 HB2 MET A 64 40.432 29.312 7.755 1.00 10.18 H new ATOM 0 HB3 MET A 64 41.840 29.456 7.100 1.00 10.18 H new ATOM 0 HG2 MET A 64 42.593 27.502 8.080 1.00 13.04 H new ATOM 0 HG3 MET A 64 41.359 27.433 9.031 1.00 13.04 H new ATOM 0 HE1 MET A 64 38.534 26.103 7.146 1.00 14.73 H new ATOM 0 HE2 MET A 64 39.141 26.490 8.557 1.00 14.73 H new ATOM 0 HE3 MET A 64 38.771 27.625 7.517 1.00 14.73 H new ATOM 492 N ASN A 65 42.853 32.065 8.149 1.00 10.85 N ATOM 493 CA ASN A 65 42.939 33.495 7.859 1.00 11.27 C ATOM 494 C ASN A 65 44.140 33.731 6.956 1.00 11.76 C ATOM 495 O ASN A 65 44.856 32.797 6.584 1.00 10.28 O ATOM 496 CB ASN A 65 43.046 34.328 9.143 1.00 9.18 C ATOM 497 CG ASN A 65 42.454 35.731 8.995 1.00 16.28 C ATOM 498 OD1 ASN A 65 42.242 36.237 7.881 1.00 11.30 O ATOM 499 ND2 ASN A 65 42.177 36.359 10.120 1.00 13.41 N ATOM 0 H ASN A 65 43.553 31.612 7.938 1.00 10.85 H new ATOM 0 HA ASN A 65 42.127 33.779 7.411 1.00 11.27 H new ATOM 0 HB2 ASN A 65 42.590 33.864 9.863 1.00 9.18 H new ATOM 0 HB3 ASN A 65 43.979 34.401 9.399 1.00 9.18 H new ATOM 0 HD21 ASN A 65 41.837 37.149 10.099 1.00 13.41 H new ATOM 0 HD22 ASN A 65 42.337 35.979 10.875 1.00 13.41 H new ATOM 500 N SER A 66 44.330 34.994 6.574 1.00 11.43 N ATOM 501 CA SER A 66 45.540 35.453 5.911 1.00 8.15 C ATOM 502 C SER A 66 46.014 36.692 6.651 1.00 8.26 C ATOM 503 O SER A 66 45.222 37.393 7.285 1.00 11.54 O ATOM 504 CB SER A 66 45.297 35.795 4.430 1.00 11.56 C ATOM 505 OG SER A 66 44.225 36.722 4.310 1.00 10.50 O ATOM 0 H SER A 66 43.747 35.615 6.697 1.00 11.43 H new ATOM 0 HA SER A 66 46.204 34.746 5.930 1.00 8.15 H new ATOM 0 HB2 SER A 66 46.103 36.170 4.041 1.00 11.56 H new ATOM 0 HB3 SER A 66 45.092 34.987 3.934 1.00 11.56 H new ATOM 0 HG SER A 66 44.377 37.246 3.671 1.00 10.50 H new ATOM 506 N ARG A 67 47.314 36.956 6.580 1.00 8.64 N ATOM 507 CA ARG A 67 47.891 38.189 7.104 1.00 9.73 C ATOM 508 C ARG A 67 48.520 38.916 5.925 1.00 10.27 C ATOM 509 O ARG A 67 49.489 38.427 5.340 1.00 9.30 O ATOM 510 CB ARG A 67 48.916 37.916 8.197 1.00 11.85 C ATOM 511 CG ARG A 67 49.352 39.174 8.932 1.00 11.94 C ATOM 512 CD ARG A 67 50.194 38.830 10.158 1.00 11.03 C ATOM 513 NE ARG A 67 51.486 38.245 9.794 1.00 12.16 N ATOM 514 CZ ARG A 67 52.199 37.476 10.608 1.00 11.77 C ATOM 515 NH1 ARG A 67 51.736 37.191 11.819 1.00 11.80 N ATOM 516 NH2 ARG A 67 53.363 36.980 10.216 1.00 10.11 N ATOM 0 H ARG A 67 47.889 36.423 6.225 1.00 8.64 H new ATOM 0 HA ARG A 67 47.203 38.733 7.519 1.00 9.73 H new ATOM 0 HB2 ARG A 67 48.542 37.288 8.835 1.00 11.85 H new ATOM 0 HB3 ARG A 67 49.694 37.491 7.804 1.00 11.85 H new ATOM 0 HG2 ARG A 67 49.863 39.741 8.334 1.00 11.94 H new ATOM 0 HG3 ARG A 67 48.571 39.680 9.204 1.00 11.94 H new ATOM 0 HD2 ARG A 67 50.340 39.632 10.683 1.00 11.03 H new ATOM 0 HD3 ARG A 67 49.706 38.208 10.720 1.00 11.03 H new ATOM 0 HE ARG A 67 51.800 38.408 9.010 1.00 12.16 H new ATOM 0 HH11 ARG A 67 50.977 37.504 12.074 1.00 11.80 H new ATOM 0 HH12 ARG A 67 52.195 36.693 12.349 1.00 11.80 H new ATOM 0 HH21 ARG A 67 53.662 37.155 9.429 1.00 10.11 H new ATOM 0 HH22 ARG A 67 53.820 36.483 10.749 1.00 10.11 H new ATOM 517 N GLU A 68 47.964 40.071 5.573 1.00 11.42 N ATOM 518 CA GLU A 68 48.325 40.784 4.353 1.00 12.92 C ATOM 519 C GLU A 68 48.835 42.162 4.742 1.00 16.95 C ATOM 520 O GLU A 68 48.144 42.902 5.452 1.00 15.10 O ATOM 521 CB GLU A 68 47.123 40.862 3.406 1.00 13.44 C ATOM 522 CG GLU A 68 46.632 39.454 3.040 1.00 17.88 C ATOM 523 CD GLU A 68 45.402 39.436 2.151 1.00 27.05 C ATOM 524 OE1 GLU A 68 45.226 40.376 1.343 1.00 25.92 O ATOM 525 OE2 GLU A 68 44.613 38.469 2.262 1.00 18.97 O ATOM 0 H GLU A 68 47.360 40.467 6.041 1.00 11.42 H new ATOM 0 HA GLU A 68 49.026 40.313 3.876 1.00 12.92 H new ATOM 0 HB2 GLU A 68 46.405 41.361 3.826 1.00 13.44 H new ATOM 0 HB3 GLU A 68 47.370 41.344 2.601 1.00 13.44 H new ATOM 0 HG2 GLU A 68 47.349 38.978 2.592 1.00 17.88 H new ATOM 0 HG3 GLU A 68 46.436 38.968 3.856 1.00 17.88 H new ATOM 526 N TYR A 69 50.062 42.477 4.316 1.00 14.77 N ATOM 527 CA TYR A 69 50.760 43.705 4.703 1.00 15.32 C ATOM 528 C TYR A 69 50.653 43.944 6.209 1.00 19.39 C ATOM 529 O TYR A 69 50.325 45.037 6.679 1.00 17.71 O ATOM 530 CB TYR A 69 50.239 44.897 3.901 1.00 13.67 C ATOM 531 CG TYR A 69 50.210 44.588 2.415 1.00 17.05 C ATOM 532 CD1 TYR A 69 51.320 44.811 1.612 1.00 20.66 C ATOM 533 CD2 TYR A 69 49.081 44.037 1.833 1.00 22.93 C ATOM 534 CE1 TYR A 69 51.296 44.501 0.256 1.00 18.64 C ATOM 535 CE2 TYR A 69 49.045 43.723 0.485 1.00 22.61 C ATOM 536 CZ TYR A 69 50.151 43.962 -0.297 1.00 21.37 C ATOM 537 OH TYR A 69 50.096 43.646 -1.641 1.00 21.90 O ATOM 0 H TYR A 69 50.517 41.975 3.787 1.00 14.77 H new ATOM 0 HA TYR A 69 51.702 43.601 4.495 1.00 15.32 H new ATOM 0 HB2 TYR A 69 49.347 45.128 4.203 1.00 13.67 H new ATOM 0 HB3 TYR A 69 50.803 45.670 4.062 1.00 13.67 H new ATOM 0 HD1 TYR A 69 52.091 45.173 1.986 1.00 20.66 H new ATOM 0 HD2 TYR A 69 48.331 43.874 2.359 1.00 22.93 H new ATOM 0 HE1 TYR A 69 52.045 44.655 -0.274 1.00 18.64 H new ATOM 0 HE2 TYR A 69 48.278 43.353 0.111 1.00 22.61 H new ATOM 0 HH TYR A 69 49.340 43.329 -1.824 1.00 21.90 H new ATOM 538 N GLY A 70 50.924 42.888 6.976 1.00 13.87 N ATOM 539 CA GLY A 70 50.976 42.988 8.415 1.00 13.45 C ATOM 540 C GLY A 70 49.663 42.843 9.149 1.00 16.48 C ATOM 541 O GLY A 70 49.683 42.693 10.375 1.00 16.42 O ATOM 0 H GLY A 70 51.081 42.100 6.669 1.00 13.87 H new ATOM 0 HA2 GLY A 70 51.585 42.309 8.745 1.00 13.45 H new ATOM 0 HA3 GLY A 70 51.359 43.849 8.646 1.00 13.45 H new ATOM 542 N ALA A 71 48.523 42.858 8.462 1.00 17.00 N ATOM 543 CA ALA A 71 47.214 42.889 9.114 1.00 15.06 C ATOM 544 C ALA A 71 46.429 41.610 8.841 1.00 16.54 C ATOM 545 O ALA A 71 46.284 41.206 7.684 1.00 14.79 O ATOM 546 CB ALA A 71 46.409 44.095 8.634 1.00 22.00 C ATOM 0 H ALA A 71 48.486 42.850 7.603 1.00 17.00 H new ATOM 0 HA ALA A 71 47.363 42.960 10.070 1.00 15.06 H new ATOM 0 HB1 ALA A 71 45.544 44.103 9.074 1.00 22.00 H new ATOM 0 HB2 ALA A 71 46.888 44.910 8.849 1.00 22.00 H new ATOM 0 HB3 ALA A 71 46.282 44.038 7.674 1.00 22.00 H new ATOM 547 N TRP A 72 45.902 40.988 9.902 1.00 16.13 N ATOM 548 CA TRP A 72 45.021 39.834 9.727 1.00 13.64 C ATOM 549 C TRP A 72 43.762 40.234 8.971 1.00 17.56 C ATOM 550 O TRP A 72 43.210 41.317 9.186 1.00 18.25 O ATOM 551 CB TRP A 72 44.645 39.244 11.087 1.00 13.95 C ATOM 552 CG TRP A 72 45.808 38.591 11.773 1.00 19.00 C ATOM 553 CD1 TRP A 72 46.499 39.071 12.843 1.00 20.57 C ATOM 554 CD2 TRP A 72 46.413 37.339 11.430 1.00 11.96 C ATOM 555 NE1 TRP A 72 47.501 38.196 13.187 1.00 19.48 N ATOM 556 CE2 TRP A 72 47.467 37.124 12.336 1.00 18.72 C ATOM 557 CE3 TRP A 72 46.167 36.386 10.441 1.00 17.28 C ATOM 558 CZ2 TRP A 72 48.279 35.986 12.286 1.00 18.28 C ATOM 559 CZ3 TRP A 72 46.972 35.258 10.387 1.00 17.05 C ATOM 560 CH2 TRP A 72 48.013 35.067 11.306 1.00 15.65 C ATOM 0 H TRP A 72 46.041 41.217 10.719 1.00 16.13 H new ATOM 0 HA TRP A 72 45.495 39.163 9.211 1.00 13.64 H new ATOM 0 HB2 TRP A 72 44.292 39.947 11.654 1.00 13.95 H new ATOM 0 HB3 TRP A 72 43.936 38.593 10.968 1.00 13.95 H new ATOM 0 HD1 TRP A 72 46.319 39.873 13.277 1.00 20.57 H new ATOM 0 HE1 TRP A 72 48.059 38.304 13.832 1.00 19.48 H new ATOM 0 HE3 TRP A 72 45.476 36.505 9.830 1.00 17.28 H new ATOM 0 HZ2 TRP A 72 48.971 35.859 12.894 1.00 18.28 H new ATOM 0 HZ3 TRP A 72 46.819 34.618 9.730 1.00 17.05 H new ATOM 0 HH2 TRP A 72 48.535 34.299 11.249 1.00 15.65 H new ATOM 561 N LYS A 73 43.301 39.357 8.078 1.00 14.33 N ATOM 562 CA LYS A 73 42.094 39.652 7.312 1.00 12.04 C ATOM 563 C LYS A 73 40.884 39.000 7.969 1.00 15.85 C ATOM 564 O LYS A 73 40.838 38.892 9.198 1.00 14.63 O ATOM 565 CB LYS A 73 42.238 39.204 5.857 1.00 15.01 C ATOM 566 CG LYS A 73 43.345 39.933 5.098 1.00 19.11 C ATOM 567 CD LYS A 73 43.375 41.423 5.420 1.00 27.38 C ATOM 568 CE LYS A 73 42.346 42.200 4.630 1.00 25.12 C ATOM 569 NZ LYS A 73 42.778 42.406 3.217 1.00 34.71 N ATOM 0 H LYS A 73 43.667 38.598 7.904 1.00 14.33 H new ATOM 0 HA LYS A 73 41.962 40.613 7.307 1.00 12.04 H new ATOM 0 HB2 LYS A 73 42.416 38.251 5.836 1.00 15.01 H new ATOM 0 HB3 LYS A 73 41.395 39.345 5.398 1.00 15.01 H new ATOM 0 HG2 LYS A 73 44.202 39.538 5.320 1.00 19.11 H new ATOM 0 HG3 LYS A 73 43.216 39.812 4.144 1.00 19.11 H new ATOM 0 HD2 LYS A 73 43.216 41.550 6.368 1.00 27.38 H new ATOM 0 HD3 LYS A 73 44.259 41.775 5.231 1.00 27.38 H new ATOM 0 HE2 LYS A 73 41.500 41.725 4.644 1.00 25.12 H new ATOM 0 HE3 LYS A 73 42.196 43.060 5.052 1.00 25.12 H new ATOM 0 HZ1 LYS A 73 42.160 42.877 2.783 1.00 34.71 H new ATOM 0 HZ2 LYS A 73 43.551 42.847 3.204 1.00 34.71 H new ATOM 0 HZ3 LYS A 73 42.881 41.616 2.820 1.00 34.71 H new ATOM 570 N GLN A 74 39.912 38.549 7.178 1.00 20.76 N ATOM 571 CA GLN A 74 38.668 38.031 7.745 1.00 25.71 C ATOM 572 C GLN A 74 38.845 36.576 8.172 1.00 16.46 C ATOM 573 O GLN A 74 39.109 35.698 7.340 1.00 15.16 O ATOM 574 CB GLN A 74 37.517 38.165 6.751 1.00 28.57 C ATOM 575 CG GLN A 74 36.227 37.479 7.211 1.00 38.72 C ATOM 576 CD GLN A 74 35.429 38.319 8.207 1.00 49.34 C ATOM 577 OE1 GLN A 74 35.481 38.087 9.420 1.00 57.45 O ATOM 578 NE2 GLN A 74 34.684 39.297 7.696 1.00 55.53 N ATOM 0 H GLN A 74 39.952 38.534 6.319 1.00 20.76 H new ATOM 0 HA GLN A 74 38.448 38.559 8.529 1.00 25.71 H new ATOM 0 HB2 GLN A 74 37.338 39.106 6.600 1.00 28.57 H new ATOM 0 HB3 GLN A 74 37.789 37.788 5.900 1.00 28.57 H new ATOM 0 HG2 GLN A 74 35.673 37.290 6.437 1.00 38.72 H new ATOM 0 HG3 GLN A 74 36.447 36.626 7.617 1.00 38.72 H new ATOM 0 HE21 GLN A 74 34.672 39.429 6.846 1.00 55.53 H new ATOM 0 HE22 GLN A 74 34.215 39.796 8.216 1.00 55.53 H new ATOM 579 N GLN A 75 38.681 36.331 9.465 1.00 18.76 N ATOM 580 CA GLN A 75 38.834 34.996 10.026 1.00 20.94 C ATOM 581 C GLN A 75 37.702 34.082 9.573 1.00 26.44 C ATOM 582 O GLN A 75 36.542 34.491 9.503 1.00 26.83 O ATOM 583 CB GLN A 75 38.873 35.093 11.550 1.00 24.55 C ATOM 584 CG GLN A 75 38.971 33.776 12.274 1.00 22.83 C ATOM 585 CD GLN A 75 39.361 33.961 13.730 1.00 27.28 C ATOM 586 OE1 GLN A 75 40.523 34.196 14.041 1.00 28.61 O ATOM 587 NE2 GLN A 75 38.383 33.867 14.629 1.00 28.65 N ATOM 0 H GLN A 75 38.478 36.935 10.043 1.00 18.76 H new ATOM 0 HA GLN A 75 39.666 34.611 9.707 1.00 20.94 H new ATOM 0 HB2 GLN A 75 39.630 35.643 11.805 1.00 24.55 H new ATOM 0 HB3 GLN A 75 38.074 35.553 11.851 1.00 24.55 H new ATOM 0 HG2 GLN A 75 38.119 33.315 12.223 1.00 22.83 H new ATOM 0 HG3 GLN A 75 39.626 33.212 11.833 1.00 22.83 H new ATOM 0 HE21 GLN A 75 37.579 33.701 14.374 1.00 28.65 H new ATOM 0 HE22 GLN A 75 38.556 33.973 15.465 1.00 28.65 H new ATOM 588 N VAL A 76 38.053 32.843 9.229 1.00 16.75 N ATOM 589 CA VAL A 76 37.087 31.785 8.950 1.00 17.91 C ATOM 590 C VAL A 76 37.192 30.773 10.081 1.00 23.61 C ATOM 591 O VAL A 76 38.293 30.308 10.396 1.00 19.23 O ATOM 592 CB VAL A 76 37.351 31.117 7.589 1.00 15.54 C ATOM 593 CG1 VAL A 76 36.356 29.981 7.332 1.00 23.42 C ATOM 594 CG2 VAL A 76 37.296 32.149 6.464 1.00 20.68 C ATOM 0 H VAL A 76 38.872 32.592 9.150 1.00 16.75 H new ATOM 0 HA VAL A 76 36.192 32.156 8.900 1.00 17.91 H new ATOM 0 HB VAL A 76 38.242 30.734 7.610 1.00 15.54 H new ATOM 0 HG11 VAL A 76 36.542 29.576 6.470 1.00 23.42 H new ATOM 0 HG12 VAL A 76 36.442 29.311 8.029 1.00 23.42 H new ATOM 0 HG13 VAL A 76 35.453 30.335 7.334 1.00 23.42 H new ATOM 0 HG21 VAL A 76 37.464 31.712 5.615 1.00 20.68 H new ATOM 0 HG22 VAL A 76 36.419 32.562 6.446 1.00 20.68 H new ATOM 0 HG23 VAL A 76 37.970 32.830 6.616 1.00 20.68 H new ATOM 595 N GLU A 77 36.062 30.446 10.702 1.00 16.61 N ATOM 596 CA GLU A 77 36.043 29.534 11.838 1.00 17.87 C ATOM 597 C GLU A 77 35.203 28.307 11.523 1.00 18.29 C ATOM 598 O GLU A 77 34.124 28.410 10.935 1.00 22.13 O ATOM 599 CB GLU A 77 35.497 30.216 13.098 1.00 20.43 C ATOM 0 H GLU A 77 35.288 30.746 10.477 1.00 16.61 H new ATOM 0 HA GLU A 77 36.959 29.264 12.007 1.00 17.87 H new ATOM 600 N SER A 78 35.702 27.150 11.934 1.00 18.63 N ATOM 601 CA SER A 78 35.011 25.884 11.770 1.00 17.18 C ATOM 602 C SER A 78 35.019 25.132 13.089 1.00 18.20 C ATOM 603 O SER A 78 36.016 25.150 13.823 1.00 14.91 O ATOM 604 CB SER A 78 35.666 25.018 10.691 1.00 15.87 C ATOM 605 OG SER A 78 35.128 23.712 10.720 1.00 16.87 O ATOM 0 H SER A 78 36.466 27.079 12.323 1.00 18.63 H new ATOM 0 HA SER A 78 34.101 26.073 11.493 1.00 17.18 H new ATOM 0 HB2 SER A 78 35.523 25.415 9.817 1.00 15.87 H new ATOM 0 HB3 SER A 78 36.625 24.983 10.833 1.00 15.87 H new ATOM 0 HG SER A 78 35.492 23.245 10.124 1.00 16.87 H new ATOM 606 N LYS A 79 33.909 24.461 13.375 1.00 18.85 N ATOM 607 CA LYS A 79 33.813 23.533 14.491 1.00 15.35 C ATOM 608 C LYS A 79 33.974 22.080 14.058 1.00 16.28 C ATOM 609 O LYS A 79 33.846 21.182 14.893 1.00 18.23 O ATOM 610 CB LYS A 79 32.475 23.721 15.220 1.00 21.11 C ATOM 611 CG LYS A 79 32.245 25.138 15.787 1.00 25.64 C ATOM 612 CD LYS A 79 33.051 25.376 17.074 1.00 29.24 C ATOM 613 CE LYS A 79 32.532 24.526 18.239 1.00 41.21 C ATOM 614 NZ LYS A 79 33.300 24.706 19.526 1.00 46.63 N ATOM 0 H LYS A 79 33.183 24.534 12.920 1.00 18.85 H new ATOM 0 HA LYS A 79 34.545 23.735 15.094 1.00 15.35 H new ATOM 0 HB2 LYS A 79 31.754 23.510 14.607 1.00 21.11 H new ATOM 0 HB3 LYS A 79 32.424 23.082 15.948 1.00 21.11 H new ATOM 0 HG2 LYS A 79 32.496 25.797 15.121 1.00 25.64 H new ATOM 0 HG3 LYS A 79 31.301 25.264 15.969 1.00 25.64 H new ATOM 0 HD2 LYS A 79 33.985 25.168 16.913 1.00 29.24 H new ATOM 0 HD3 LYS A 79 33.006 26.315 17.314 1.00 29.24 H new ATOM 0 HE2 LYS A 79 31.600 24.746 18.397 1.00 41.21 H new ATOM 0 HE3 LYS A 79 32.564 23.591 17.983 1.00 41.21 H new ATOM 0 HZ1 LYS A 79 32.858 24.315 20.193 1.00 46.63 H new ATOM 0 HZ2 LYS A 79 34.105 24.335 19.446 1.00 46.63 H new ATOM 0 HZ3 LYS A 79 33.390 25.574 19.699 1.00 46.63 H new ATOM 615 N ASN A 80 34.261 21.828 12.783 1.00 14.15 N ATOM 616 CA ASN A 80 34.565 20.474 12.341 1.00 14.31 C ATOM 617 C ASN A 80 35.826 19.986 13.036 1.00 15.44 C ATOM 618 O ASN A 80 36.845 20.679 13.050 1.00 12.84 O ATOM 619 CB ASN A 80 34.757 20.439 10.824 1.00 12.75 C ATOM 620 CG ASN A 80 34.820 19.030 10.280 1.00 17.45 C ATOM 621 OD1 ASN A 80 34.197 18.125 10.823 1.00 20.52 O ATOM 622 ND2 ASN A 80 35.573 18.836 9.195 1.00 16.95 N ATOM 0 H ASN A 80 34.284 22.424 12.163 1.00 14.15 H new ATOM 0 HA ASN A 80 33.824 19.892 12.571 1.00 14.31 H new ATOM 0 HB2 ASN A 80 34.027 20.915 10.398 1.00 12.75 H new ATOM 0 HB3 ASN A 80 35.574 20.908 10.594 1.00 12.75 H new ATOM 0 HD21 ASN A 80 35.635 18.051 8.849 1.00 16.95 H new ATOM 0 HD22 ASN A 80 35.996 19.496 8.842 1.00 16.95 H new ATOM 623 N MET A 81 35.764 18.799 13.620 1.00 15.54 N ATOM 624 CA MET A 81 36.841 18.301 14.477 1.00 15.25 C ATOM 625 C MET A 81 37.053 16.816 14.229 1.00 16.70 C ATOM 626 O MET A 81 36.643 15.971 15.028 1.00 21.33 O ATOM 627 CB MET A 81 36.529 18.583 15.950 1.00 16.21 C ATOM 628 CG MET A 81 37.689 18.345 16.927 1.00 18.91 C ATOM 629 SD MET A 81 39.260 19.109 16.434 1.00 14.97 S ATOM 630 CE MET A 81 38.781 20.817 16.186 1.00 15.25 C ATOM 0 H MET A 81 35.101 18.258 13.534 1.00 15.54 H new ATOM 0 HA MET A 81 37.664 18.766 14.258 1.00 15.25 H new ATOM 0 HB2 MET A 81 36.241 19.505 16.033 1.00 16.21 H new ATOM 0 HB3 MET A 81 35.781 18.027 16.218 1.00 16.21 H new ATOM 0 HG2 MET A 81 37.437 18.686 17.799 1.00 18.91 H new ATOM 0 HG3 MET A 81 37.824 17.389 17.024 1.00 18.91 H new ATOM 0 HE1 MET A 81 39.575 21.362 16.070 1.00 15.25 H new ATOM 0 HE2 MET A 81 38.224 20.885 15.395 1.00 15.25 H new ATOM 0 HE3 MET A 81 38.285 21.130 16.959 1.00 15.25 H new ATOM 631 N PRO A 82 37.708 16.460 13.122 1.00 13.81 N ATOM 632 CA PRO A 82 38.000 15.045 12.858 1.00 15.21 C ATOM 633 C PRO A 82 39.191 14.495 13.629 1.00 21.84 C ATOM 634 O PRO A 82 39.390 13.273 13.616 1.00 16.23 O ATOM 635 CB PRO A 82 38.283 15.030 11.355 1.00 16.97 C ATOM 636 CG PRO A 82 38.849 16.404 11.086 1.00 13.97 C ATOM 637 CD PRO A 82 38.136 17.336 12.014 1.00 15.38 C ATOM 0 HA PRO A 82 37.265 14.479 13.141 1.00 15.21 H new ATOM 0 HB2 PRO A 82 38.913 14.332 11.118 1.00 16.97 H new ATOM 0 HB3 PRO A 82 37.476 14.870 10.842 1.00 16.97 H new ATOM 0 HG2 PRO A 82 39.806 16.422 11.244 1.00 13.97 H new ATOM 0 HG3 PRO A 82 38.710 16.662 10.161 1.00 13.97 H new ATOM 0 HD2 PRO A 82 38.719 18.046 12.325 1.00 15.38 H new ATOM 0 HD3 PRO A 82 37.379 17.760 11.581 1.00 15.38 H new ATOM 638 N PHE A 83 40.002 15.341 14.263 1.00 16.65 N ATOM 639 CA PHE A 83 41.135 14.843 15.028 1.00 13.41 C ATOM 640 C PHE A 83 40.659 14.035 16.233 1.00 14.91 C ATOM 641 O PHE A 83 39.625 14.334 16.841 1.00 17.17 O ATOM 642 CB PHE A 83 42.017 16.000 15.483 1.00 10.78 C ATOM 643 CG PHE A 83 42.538 16.838 14.352 1.00 12.11 C ATOM 644 CD1 PHE A 83 43.712 16.492 13.715 1.00 11.23 C ATOM 645 CD2 PHE A 83 41.850 17.969 13.934 1.00 10.30 C ATOM 646 CE1 PHE A 83 44.209 17.258 12.670 1.00 11.79 C ATOM 647 CE2 PHE A 83 42.336 18.744 12.875 1.00 11.21 C ATOM 648 CZ PHE A 83 43.514 18.385 12.248 1.00 13.97 C ATOM 0 H PHE A 83 39.913 16.196 14.261 1.00 16.65 H new ATOM 0 HA PHE A 83 41.657 14.260 14.455 1.00 13.41 H new ATOM 0 HB2 PHE A 83 41.511 16.565 16.088 1.00 10.78 H new ATOM 0 HB3 PHE A 83 42.767 15.647 15.986 1.00 10.78 H new ATOM 0 HD1 PHE A 83 44.177 15.735 13.990 1.00 11.23 H new ATOM 0 HD2 PHE A 83 41.061 18.213 14.361 1.00 10.30 H new ATOM 0 HE1 PHE A 83 45.005 17.018 12.253 1.00 11.79 H new ATOM 0 HE2 PHE A 83 41.868 19.497 12.594 1.00 11.21 H new ATOM 0 HZ PHE A 83 43.841 18.897 11.544 1.00 13.97 H new ATOM 649 N GLN A 84 41.442 13.019 16.592 1.00 12.91 N ATOM 650 CA GLN A 84 41.093 12.088 17.661 1.00 18.42 C ATOM 651 C GLN A 84 42.026 12.273 18.851 1.00 17.21 C ATOM 652 O GLN A 84 43.251 12.293 18.691 1.00 12.69 O ATOM 653 CB GLN A 84 41.149 10.639 17.165 1.00 19.51 C ATOM 654 CG GLN A 84 40.185 10.358 16.017 1.00 25.99 C ATOM 655 CD GLN A 84 38.742 10.619 16.400 1.00 36.92 C ATOM 656 OE1 GLN A 84 38.217 10.009 17.333 1.00 45.43 O ATOM 657 NE2 GLN A 84 38.095 11.541 15.689 1.00 31.29 N ATOM 0 H GLN A 84 42.198 12.850 16.218 1.00 12.91 H new ATOM 0 HA GLN A 84 40.184 12.279 17.942 1.00 18.42 H new ATOM 0 HB2 GLN A 84 42.053 10.437 16.877 1.00 19.51 H new ATOM 0 HB3 GLN A 84 40.946 10.043 17.903 1.00 19.51 H new ATOM 0 HG2 GLN A 84 40.421 10.912 15.257 1.00 25.99 H new ATOM 0 HG3 GLN A 84 40.281 9.435 15.736 1.00 25.99 H new ATOM 0 HE21 GLN A 84 38.495 11.946 15.044 1.00 31.29 H new ATOM 0 HE22 GLN A 84 37.277 11.731 15.874 1.00 31.29 H new ATOM 658 N ASP A 85 41.435 12.375 20.041 1.00 16.57 N ATOM 659 CA ASP A 85 42.183 12.571 21.279 1.00 15.09 C ATOM 660 C ASP A 85 43.293 11.533 21.426 1.00 17.77 C ATOM 661 O ASP A 85 43.052 10.328 21.325 1.00 19.37 O ATOM 662 CB ASP A 85 41.210 12.499 22.460 1.00 15.64 C ATOM 663 CG ASP A 85 41.757 13.138 23.731 1.00 18.80 C ATOM 664 OD1 ASP A 85 42.936 13.553 23.754 1.00 19.35 O ATOM 665 OD2 ASP A 85 40.985 13.230 24.715 1.00 20.24 O ATOM 0 H ASP A 85 40.583 12.332 20.152 1.00 16.57 H new ATOM 0 HA ASP A 85 42.609 13.442 21.260 1.00 15.09 H new ATOM 0 HB2 ASP A 85 40.381 12.939 22.215 1.00 15.64 H new ATOM 0 HB3 ASP A 85 40.996 11.570 22.639 1.00 15.64 H new ATOM 666 N GLY A 86 44.518 12.016 21.632 1.00 15.49 N ATOM 667 CA GLY A 86 45.670 11.176 21.890 1.00 18.70 C ATOM 668 C GLY A 86 46.202 10.385 20.715 1.00 22.02 C ATOM 669 O GLY A 86 47.045 9.506 20.911 1.00 25.42 O ATOM 0 H GLY A 86 44.699 12.857 21.624 1.00 15.49 H new ATOM 0 HA2 GLY A 86 46.386 11.737 22.228 1.00 18.70 H new ATOM 0 HA3 GLY A 86 45.440 10.553 22.597 1.00 18.70 H new ATOM 670 N GLN A 87 45.757 10.660 19.498 1.00 16.91 N ATOM 671 CA GLN A 87 46.161 9.852 18.360 1.00 17.30 C ATOM 672 C GLN A 87 47.098 10.624 17.440 1.00 20.46 C ATOM 673 O GLN A 87 47.030 11.851 17.338 1.00 15.43 O ATOM 674 CB GLN A 87 44.940 9.377 17.571 1.00 19.94 C ATOM 675 CG GLN A 87 44.010 8.487 18.386 1.00 28.23 C ATOM 676 CD GLN A 87 43.048 7.707 17.511 1.00 37.57 C ATOM 677 OE1 GLN A 87 43.056 7.842 16.282 1.00 40.10 O ATOM 678 NE2 GLN A 87 42.223 6.873 18.137 1.00 40.85 N ATOM 0 H GLN A 87 45.223 11.307 19.310 1.00 16.91 H new ATOM 0 HA GLN A 87 46.635 9.079 18.706 1.00 17.30 H new ATOM 0 HB2 GLN A 87 44.445 10.149 17.256 1.00 19.94 H new ATOM 0 HB3 GLN A 87 45.238 8.891 16.786 1.00 19.94 H new ATOM 0 HG2 GLN A 87 44.538 7.868 18.914 1.00 28.23 H new ATOM 0 HG3 GLN A 87 43.507 9.034 19.009 1.00 28.23 H new ATOM 0 HE21 GLN A 87 42.247 6.807 18.994 1.00 40.85 H new ATOM 0 HE22 GLN A 87 41.665 6.400 17.685 1.00 40.85 H new ATOM 679 N GLU A 88 47.987 9.889 16.782 1.00 18.00 N ATOM 680 CA GLU A 88 48.735 10.450 15.672 1.00 17.30 C ATOM 681 C GLU A 88 47.767 10.795 14.549 1.00 19.93 C ATOM 682 O GLU A 88 46.757 10.119 14.357 1.00 15.03 O ATOM 683 CB GLU A 88 49.784 9.452 15.196 1.00 19.99 C ATOM 684 CG GLU A 88 50.624 9.929 14.043 1.00 29.35 C ATOM 685 CD GLU A 88 51.674 8.921 13.654 1.00 42.85 C ATOM 686 OE1 GLU A 88 51.317 7.734 13.490 1.00 48.57 O ATOM 687 OE2 GLU A 88 52.855 9.314 13.530 1.00 44.71 O ATOM 0 H GLU A 88 48.169 9.068 16.963 1.00 18.00 H new ATOM 0 HA GLU A 88 49.194 11.257 15.954 1.00 17.30 H new ATOM 0 HB2 GLU A 88 50.369 9.236 15.939 1.00 19.99 H new ATOM 0 HB3 GLU A 88 49.338 8.630 14.938 1.00 19.99 H new ATOM 0 HG2 GLU A 88 50.052 10.110 13.281 1.00 29.35 H new ATOM 0 HG3 GLU A 88 51.053 10.766 14.281 1.00 29.35 H new ATOM 688 N PHE A 89 48.046 11.884 13.841 1.00 13.73 N ATOM 689 CA PHE A 89 47.219 12.296 12.719 1.00 15.63 C ATOM 690 C PHE A 89 48.109 12.460 11.498 1.00 14.46 C ATOM 691 O PHE A 89 49.320 12.662 11.611 1.00 13.59 O ATOM 692 CB PHE A 89 46.462 13.611 13.012 1.00 11.78 C ATOM 693 CG PHE A 89 47.365 14.754 13.376 1.00 11.93 C ATOM 694 CD1 PHE A 89 48.037 15.472 12.394 1.00 14.66 C ATOM 695 CD2 PHE A 89 47.558 15.104 14.698 1.00 11.37 C ATOM 696 CE1 PHE A 89 48.892 16.513 12.724 1.00 14.11 C ATOM 697 CE2 PHE A 89 48.405 16.149 15.043 1.00 11.94 C ATOM 698 CZ PHE A 89 49.077 16.855 14.053 1.00 16.72 C ATOM 0 H PHE A 89 48.716 12.400 13.998 1.00 13.73 H new ATOM 0 HA PHE A 89 46.548 11.614 12.559 1.00 15.63 H new ATOM 0 HB2 PHE A 89 45.940 13.856 12.232 1.00 11.78 H new ATOM 0 HB3 PHE A 89 45.835 13.460 13.737 1.00 11.78 H new ATOM 0 HD1 PHE A 89 47.911 15.250 11.500 1.00 14.66 H new ATOM 0 HD2 PHE A 89 47.115 14.633 15.366 1.00 11.37 H new ATOM 0 HE1 PHE A 89 49.339 16.980 12.055 1.00 14.11 H new ATOM 0 HE2 PHE A 89 48.522 16.376 15.937 1.00 11.94 H new ATOM 0 HZ PHE A 89 49.648 17.553 14.281 1.00 16.72 H new ATOM 699 N GLU A 90 47.488 12.369 10.329 1.00 14.29 N ATOM 700 CA GLU A 90 48.121 12.707 9.064 1.00 13.96 C ATOM 701 C GLU A 90 47.304 13.829 8.445 1.00 18.66 C ATOM 702 O GLU A 90 46.090 13.687 8.260 1.00 19.62 O ATOM 703 CB GLU A 90 48.186 11.496 8.127 1.00 19.17 C ATOM 0 H GLU A 90 46.674 12.105 10.248 1.00 14.29 H new ATOM 0 HA GLU A 90 49.038 12.987 9.211 1.00 13.96 H new ATOM 704 N LEU A 91 47.962 14.943 8.152 1.00 11.76 N ATOM 705 CA LEU A 91 47.311 16.142 7.653 1.00 13.30 C ATOM 706 C LEU A 91 47.869 16.435 6.269 1.00 14.51 C ATOM 707 O LEU A 91 49.088 16.442 6.081 1.00 18.15 O ATOM 708 CB LEU A 91 47.554 17.320 8.617 1.00 16.31 C ATOM 709 CG LEU A 91 46.850 18.648 8.347 1.00 27.43 C ATOM 710 CD1 LEU A 91 45.415 18.603 8.827 1.00 20.96 C ATOM 711 CD2 LEU A 91 47.614 19.793 9.011 1.00 22.54 C ATOM 0 H LEU A 91 48.814 15.023 8.240 1.00 11.76 H new ATOM 0 HA LEU A 91 46.351 16.012 7.595 1.00 13.30 H new ATOM 0 HB2 LEU A 91 47.300 17.029 9.507 1.00 16.31 H new ATOM 0 HB3 LEU A 91 48.508 17.492 8.636 1.00 16.31 H new ATOM 0 HG LEU A 91 46.837 18.803 7.390 1.00 27.43 H new ATOM 0 HD11 LEU A 91 44.986 19.454 8.647 1.00 20.96 H new ATOM 0 HD12 LEU A 91 44.940 17.897 8.361 1.00 20.96 H new ATOM 0 HD13 LEU A 91 45.398 18.429 9.781 1.00 20.96 H new ATOM 0 HD21 LEU A 91 47.159 20.631 8.834 1.00 22.54 H new ATOM 0 HD22 LEU A 91 47.654 19.643 9.969 1.00 22.54 H new ATOM 0 HD23 LEU A 91 48.515 19.832 8.653 1.00 22.54 H new ATOM 712 N SER A 92 46.984 16.646 5.297 1.00 11.34 N ATOM 713 CA SER A 92 47.392 16.960 3.937 1.00 17.26 C ATOM 714 C SER A 92 46.700 18.247 3.517 1.00 18.56 C ATOM 715 O SER A 92 45.502 18.420 3.759 1.00 16.48 O ATOM 716 CB SER A 92 47.032 15.817 2.975 1.00 14.76 C ATOM 717 OG SER A 92 47.505 16.071 1.673 1.00 35.52 O ATOM 0 H SER A 92 46.132 16.610 5.411 1.00 11.34 H new ATOM 0 HA SER A 92 48.355 17.072 3.904 1.00 17.26 H new ATOM 0 HB2 SER A 92 47.411 14.986 3.302 1.00 14.76 H new ATOM 0 HB3 SER A 92 46.069 15.701 2.954 1.00 14.76 H new ATOM 0 HG SER A 92 47.375 15.396 1.191 1.00 35.52 H new ATOM 718 N ILE A 93 47.459 19.161 2.928 1.00 12.56 N ATOM 719 CA ILE A 93 46.927 20.411 2.423 1.00 10.35 C ATOM 720 C ILE A 93 47.253 20.439 0.938 1.00 14.43 C ATOM 721 O ILE A 93 48.428 20.521 0.561 1.00 12.83 O ATOM 722 CB ILE A 93 47.508 21.633 3.143 1.00 10.54 C ATOM 723 CG1 ILE A 93 47.300 21.533 4.652 1.00 14.01 C ATOM 724 CG2 ILE A 93 46.878 22.921 2.600 1.00 11.30 C ATOM 725 CD1 ILE A 93 48.104 22.545 5.400 1.00 13.54 C ATOM 0 H ILE A 93 48.306 19.069 2.810 1.00 12.56 H new ATOM 0 HA ILE A 93 45.971 20.458 2.581 1.00 10.35 H new ATOM 0 HB ILE A 93 48.463 21.656 2.973 1.00 10.54 H new ATOM 0 HG12 ILE A 93 46.360 21.654 4.856 1.00 14.01 H new ATOM 0 HG13 ILE A 93 47.543 20.643 4.952 1.00 14.01 H new ATOM 0 HG21 ILE A 93 47.254 23.686 3.064 1.00 11.30 H new ATOM 0 HG22 ILE A 93 47.062 22.996 1.651 1.00 11.30 H new ATOM 0 HG23 ILE A 93 45.919 22.897 2.742 1.00 11.30 H new ATOM 0 HD11 ILE A 93 47.943 22.447 6.352 1.00 13.54 H new ATOM 0 HD12 ILE A 93 49.047 22.410 5.216 1.00 13.54 H new ATOM 0 HD13 ILE A 93 47.845 23.436 5.119 1.00 13.54 H new ATOM 726 N SER A 94 46.225 20.345 0.104 1.00 14.84 N ATOM 727 CA SER A 94 46.380 20.319 -1.342 1.00 13.52 C ATOM 728 C SER A 94 46.056 21.687 -1.928 1.00 13.83 C ATOM 729 O SER A 94 45.097 22.339 -1.505 1.00 12.99 O ATOM 730 CB SER A 94 45.460 19.264 -1.966 1.00 20.13 C ATOM 731 OG SER A 94 45.928 17.957 -1.679 1.00 27.65 O ATOM 0 H SER A 94 45.408 20.294 0.366 1.00 14.84 H new ATOM 0 HA SER A 94 47.301 20.091 -1.545 1.00 13.52 H new ATOM 0 HB2 SER A 94 44.559 19.372 -1.624 1.00 20.13 H new ATOM 0 HB3 SER A 94 45.417 19.393 -2.926 1.00 20.13 H new ATOM 0 HG SER A 94 46.719 17.877 -1.950 1.00 27.65 H new ATOM 732 N VAL A 95 46.852 22.110 -2.911 1.00 12.52 N ATOM 733 CA VAL A 95 46.639 23.384 -3.600 1.00 14.38 C ATOM 734 C VAL A 95 45.799 23.093 -4.843 1.00 14.55 C ATOM 735 O VAL A 95 46.305 22.566 -5.835 1.00 15.67 O ATOM 736 CB VAL A 95 47.961 24.067 -3.957 1.00 15.06 C ATOM 737 CG1 VAL A 95 47.714 25.414 -4.668 1.00 17.34 C ATOM 738 CG2 VAL A 95 48.840 24.255 -2.703 1.00 13.58 C ATOM 0 H VAL A 95 47.531 21.666 -3.197 1.00 12.52 H new ATOM 0 HA VAL A 95 46.174 24.005 -3.018 1.00 14.38 H new ATOM 0 HB VAL A 95 48.439 23.490 -4.573 1.00 15.06 H new ATOM 0 HG11 VAL A 95 48.565 25.827 -4.884 1.00 17.34 H new ATOM 0 HG12 VAL A 95 47.213 25.262 -5.484 1.00 17.34 H new ATOM 0 HG13 VAL A 95 47.209 26.001 -4.083 1.00 17.34 H new ATOM 0 HG21 VAL A 95 49.671 24.689 -2.952 1.00 13.58 H new ATOM 0 HG22 VAL A 95 48.370 24.805 -2.057 1.00 13.58 H new ATOM 0 HG23 VAL A 95 49.033 23.389 -2.310 1.00 13.58 H new ATOM 739 N LEU A 96 44.508 23.409 -4.777 1.00 15.37 N ATOM 740 CA LEU A 96 43.607 23.302 -5.922 1.00 16.18 C ATOM 741 C LEU A 96 43.600 24.617 -6.692 1.00 18.21 C ATOM 742 O LEU A 96 44.187 25.610 -6.251 1.00 14.24 O ATOM 743 CB LEU A 96 42.202 22.929 -5.441 1.00 13.64 C ATOM 744 CG LEU A 96 42.090 21.772 -4.443 1.00 20.54 C ATOM 745 CD1 LEU A 96 40.632 21.321 -4.281 1.00 20.67 C ATOM 746 CD2 LEU A 96 42.958 20.594 -4.867 1.00 21.49 C ATOM 0 H LEU A 96 44.127 23.694 -4.060 1.00 15.37 H new ATOM 0 HA LEU A 96 43.915 22.603 -6.520 1.00 16.18 H new ATOM 0 HB2 LEU A 96 41.804 23.715 -5.036 1.00 13.64 H new ATOM 0 HB3 LEU A 96 41.666 22.708 -6.219 1.00 13.64 H new ATOM 0 HG LEU A 96 42.409 22.096 -3.586 1.00 20.54 H new ATOM 0 HD11 LEU A 96 40.588 20.589 -3.646 1.00 20.67 H new ATOM 0 HD12 LEU A 96 40.098 22.063 -3.957 1.00 20.67 H new ATOM 0 HD13 LEU A 96 40.287 21.025 -5.138 1.00 20.67 H new ATOM 0 HD21 LEU A 96 42.869 19.877 -4.220 1.00 21.49 H new ATOM 0 HD22 LEU A 96 42.673 20.279 -5.739 1.00 21.49 H new ATOM 0 HD23 LEU A 96 43.885 20.875 -4.912 1.00 21.49 H new ATOM 747 N PRO A 97 42.960 24.663 -7.876 1.00 22.97 N ATOM 748 CA PRO A 97 42.961 25.924 -8.639 1.00 19.05 C ATOM 749 C PRO A 97 42.370 27.106 -7.887 1.00 16.61 C ATOM 750 O PRO A 97 42.875 28.227 -8.014 1.00 17.69 O ATOM 751 CB PRO A 97 42.130 25.574 -9.889 1.00 21.56 C ATOM 752 CG PRO A 97 42.339 24.132 -10.081 1.00 23.83 C ATOM 753 CD PRO A 97 42.424 23.544 -8.681 1.00 18.52 C ATOM 0 HA PRO A 97 43.864 26.221 -8.835 1.00 19.05 H new ATOM 0 HB2 PRO A 97 41.191 25.780 -9.758 1.00 21.56 H new ATOM 0 HB3 PRO A 97 42.426 26.079 -10.662 1.00 21.56 H new ATOM 0 HG2 PRO A 97 41.608 23.737 -10.582 1.00 23.83 H new ATOM 0 HG3 PRO A 97 43.152 23.961 -10.582 1.00 23.83 H new ATOM 0 HD2 PRO A 97 41.555 23.256 -8.360 1.00 18.52 H new ATOM 0 HD3 PRO A 97 43.008 22.770 -8.652 1.00 18.52 H new ATOM 754 N ASP A 98 41.325 26.895 -7.095 1.00 14.05 N ATOM 755 CA ASP A 98 40.652 28.000 -6.433 1.00 13.08 C ATOM 756 C ASP A 98 40.812 28.011 -4.917 1.00 16.14 C ATOM 757 O ASP A 98 40.424 28.999 -4.281 1.00 14.98 O ATOM 758 CB ASP A 98 39.153 27.981 -6.770 1.00 18.78 C ATOM 0 H ASP A 98 40.992 26.120 -6.929 1.00 14.05 H new ATOM 0 HA ASP A 98 41.080 28.803 -6.768 1.00 13.08 H new ATOM 759 N LYS A 99 41.373 26.967 -4.319 1.00 16.24 N ATOM 760 CA LYS A 99 41.366 26.891 -2.864 1.00 14.64 C ATOM 761 C LYS A 99 42.431 25.927 -2.371 1.00 13.49 C ATOM 762 O LYS A 99 42.977 25.117 -3.129 1.00 11.48 O ATOM 763 CB LYS A 99 39.998 26.437 -2.358 1.00 18.58 C ATOM 764 CG LYS A 99 39.819 24.934 -2.512 1.00 19.51 C ATOM 765 CD LYS A 99 38.369 24.513 -2.414 1.00 18.89 C ATOM 766 CE LYS A 99 37.600 25.008 -3.618 1.00 29.32 C ATOM 767 NZ LYS A 99 36.365 24.220 -3.850 1.00 31.89 N ATOM 0 H LYS A 99 41.753 26.310 -4.723 1.00 16.24 H new ATOM 0 HA LYS A 99 41.557 27.777 -2.519 1.00 14.64 H new ATOM 0 HB2 LYS A 99 39.899 26.682 -1.425 1.00 18.58 H new ATOM 0 HB3 LYS A 99 39.300 26.899 -2.848 1.00 18.58 H new ATOM 0 HG2 LYS A 99 40.177 24.654 -3.369 1.00 19.51 H new ATOM 0 HG3 LYS A 99 40.333 24.478 -1.827 1.00 19.51 H new ATOM 0 HD2 LYS A 99 38.309 23.546 -2.358 1.00 18.89 H new ATOM 0 HD3 LYS A 99 37.976 24.869 -1.602 1.00 18.89 H new ATOM 0 HE2 LYS A 99 37.368 25.941 -3.492 1.00 29.32 H new ATOM 0 HE3 LYS A 99 38.166 24.960 -4.404 1.00 29.32 H new ATOM 0 HZ1 LYS A 99 35.775 24.717 -4.294 1.00 31.89 H new ATOM 0 HZ2 LYS A 99 36.561 23.495 -4.327 1.00 31.89 H new ATOM 0 HZ3 LYS A 99 36.018 23.975 -3.068 1.00 31.89 H new ATOM 768 N TYR A 100 42.700 26.017 -1.063 1.00 11.45 N ATOM 769 CA TYR A 100 43.395 24.963 -0.342 1.00 13.01 C ATOM 770 C TYR A 100 42.369 23.954 0.148 1.00 12.31 C ATOM 771 O TYR A 100 41.311 24.330 0.646 1.00 14.46 O ATOM 772 CB TYR A 100 44.168 25.524 0.858 1.00 9.85 C ATOM 773 CG TYR A 100 45.258 26.464 0.446 1.00 10.15 C ATOM 774 CD1 TYR A 100 46.428 25.977 -0.116 1.00 9.24 C ATOM 775 CD2 TYR A 100 45.100 27.839 0.566 1.00 9.75 C ATOM 776 CE1 TYR A 100 47.425 26.824 -0.523 1.00 10.56 C ATOM 777 CE2 TYR A 100 46.099 28.702 0.154 1.00 8.99 C ATOM 778 CZ TYR A 100 47.258 28.184 -0.395 1.00 9.49 C ATOM 779 OH TYR A 100 48.286 29.010 -0.808 1.00 11.87 O ATOM 0 H TYR A 100 42.482 26.692 -0.577 1.00 11.45 H new ATOM 0 HA TYR A 100 44.033 24.543 -0.940 1.00 13.01 H new ATOM 0 HB2 TYR A 100 43.553 25.986 1.449 1.00 9.85 H new ATOM 0 HB3 TYR A 100 44.551 24.791 1.364 1.00 9.85 H new ATOM 0 HD1 TYR A 100 46.538 25.059 -0.219 1.00 9.24 H new ATOM 0 HD2 TYR A 100 44.315 28.182 0.927 1.00 9.75 H new ATOM 0 HE1 TYR A 100 48.211 26.482 -0.884 1.00 10.56 H new ATOM 0 HE2 TYR A 100 45.993 29.621 0.245 1.00 8.99 H new ATOM 0 HH TYR A 100 47.967 29.731 -1.098 1.00 11.87 H new ATOM 780 N GLN A 101 42.687 22.672 0.016 1.00 12.47 N ATOM 781 CA GLN A 101 41.879 21.626 0.618 1.00 13.36 C ATOM 782 C GLN A 101 42.694 20.896 1.673 1.00 10.91 C ATOM 783 O GLN A 101 43.791 20.392 1.388 1.00 11.81 O ATOM 784 CB GLN A 101 41.380 20.636 -0.420 1.00 14.20 C ATOM 785 CG GLN A 101 40.569 19.529 0.206 1.00 14.78 C ATOM 786 CD GLN A 101 39.847 18.742 -0.846 1.00 20.31 C ATOM 787 OE1 GLN A 101 38.661 18.434 -0.707 1.00 22.25 O ATOM 788 NE2 GLN A 101 40.548 18.433 -1.925 1.00 16.11 N ATOM 0 H GLN A 101 43.371 22.388 -0.421 1.00 12.47 H new ATOM 0 HA GLN A 101 41.105 22.043 1.027 1.00 13.36 H new ATOM 0 HB2 GLN A 101 40.839 21.101 -1.077 1.00 14.20 H new ATOM 0 HB3 GLN A 101 42.136 20.255 -0.893 1.00 14.20 H new ATOM 0 HG2 GLN A 101 41.151 18.942 0.713 1.00 14.78 H new ATOM 0 HG3 GLN A 101 39.930 19.904 0.832 1.00 14.78 H new ATOM 0 HE21 GLN A 101 41.374 18.667 -1.983 1.00 16.11 H new ATOM 0 HE22 GLN A 101 40.178 17.999 -2.568 1.00 16.11 H new ATOM 789 N VAL A 102 42.146 20.822 2.877 1.00 11.18 N ATOM 790 CA VAL A 102 42.814 20.208 4.014 1.00 12.06 C ATOM 791 C VAL A 102 42.182 18.847 4.290 1.00 11.48 C ATOM 792 O VAL A 102 41.005 18.772 4.654 1.00 12.76 O ATOM 793 CB VAL A 102 42.720 21.104 5.258 1.00 11.33 C ATOM 794 CG1 VAL A 102 43.464 20.464 6.402 1.00 12.68 C ATOM 795 CG2 VAL A 102 43.263 22.514 4.957 1.00 11.70 C ATOM 0 H VAL A 102 41.365 21.131 3.059 1.00 11.18 H new ATOM 0 HA VAL A 102 43.754 20.094 3.804 1.00 12.06 H new ATOM 0 HB VAL A 102 41.788 21.199 5.511 1.00 11.33 H new ATOM 0 HG11 VAL A 102 43.403 21.032 7.186 1.00 12.68 H new ATOM 0 HG12 VAL A 102 43.073 19.599 6.599 1.00 12.68 H new ATOM 0 HG13 VAL A 102 44.396 20.349 6.158 1.00 12.68 H new ATOM 0 HG21 VAL A 102 43.195 23.064 5.753 1.00 11.70 H new ATOM 0 HG22 VAL A 102 44.192 22.452 4.685 1.00 11.70 H new ATOM 0 HG23 VAL A 102 42.744 22.915 4.242 1.00 11.70 H new ATOM 796 N MET A 103 42.967 17.776 4.164 1.00 13.14 N ATOM 797 CA MET A 103 42.519 16.435 4.533 1.00 12.24 C ATOM 798 C MET A 103 43.119 16.038 5.872 1.00 12.17 C ATOM 799 O MET A 103 44.307 16.266 6.118 1.00 13.88 O ATOM 800 CB MET A 103 42.923 15.394 3.493 1.00 13.05 C ATOM 801 CG MET A 103 42.846 15.882 2.075 1.00 23.20 C ATOM 802 SD MET A 103 41.191 15.716 1.411 1.00 24.46 S ATOM 803 CE MET A 103 40.900 13.945 1.572 1.00 18.77 C ATOM 0 H MET A 103 43.772 17.808 3.863 1.00 13.14 H new ATOM 0 HA MET A 103 41.551 16.461 4.586 1.00 12.24 H new ATOM 0 HB2 MET A 103 43.830 15.103 3.676 1.00 13.05 H new ATOM 0 HB3 MET A 103 42.351 14.616 3.589 1.00 13.05 H new ATOM 0 HG2 MET A 103 43.119 16.812 2.037 1.00 23.20 H new ATOM 0 HG3 MET A 103 43.468 15.381 1.525 1.00 23.20 H new ATOM 0 HE1 MET A 103 40.218 13.670 0.940 1.00 18.77 H new ATOM 0 HE2 MET A 103 41.722 13.464 1.389 1.00 18.77 H new ATOM 0 HE3 MET A 103 40.603 13.746 2.474 1.00 18.77 H new ATOM 804 N VAL A 104 42.298 15.429 6.724 1.00 11.73 N ATOM 805 CA VAL A 104 42.730 14.903 8.017 1.00 10.15 C ATOM 806 C VAL A 104 42.488 13.399 7.996 1.00 14.90 C ATOM 807 O VAL A 104 41.342 12.951 7.846 1.00 12.40 O ATOM 808 CB VAL A 104 41.978 15.564 9.182 1.00 11.18 C ATOM 809 CG1 VAL A 104 42.442 14.992 10.536 1.00 12.06 C ATOM 810 CG2 VAL A 104 42.171 17.072 9.142 1.00 11.56 C ATOM 0 H VAL A 104 41.462 15.308 6.565 1.00 11.73 H new ATOM 0 HA VAL A 104 43.670 15.099 8.157 1.00 10.15 H new ATOM 0 HB VAL A 104 41.033 15.368 9.085 1.00 11.18 H new ATOM 0 HG11 VAL A 104 41.954 15.424 11.254 1.00 12.06 H new ATOM 0 HG12 VAL A 104 42.273 14.037 10.559 1.00 12.06 H new ATOM 0 HG13 VAL A 104 43.392 15.154 10.648 1.00 12.06 H new ATOM 0 HG21 VAL A 104 41.693 17.479 9.881 1.00 11.56 H new ATOM 0 HG22 VAL A 104 43.116 17.280 9.215 1.00 11.56 H new ATOM 0 HG23 VAL A 104 41.828 17.420 8.304 1.00 11.56 H new ATOM 811 N ASN A 105 43.561 12.621 8.134 1.00 16.00 N ATOM 812 CA ASN A 105 43.461 11.157 8.111 1.00 17.47 C ATOM 813 C ASN A 105 42.659 10.670 6.899 1.00 20.48 C ATOM 814 O ASN A 105 41.807 9.790 7.002 1.00 19.88 O ATOM 815 CB ASN A 105 42.855 10.643 9.425 1.00 15.59 C ATOM 816 CG ASN A 105 43.676 11.065 10.640 1.00 14.11 C ATOM 817 OD1 ASN A 105 44.895 11.167 10.549 1.00 16.06 O ATOM 818 ND2 ASN A 105 43.017 11.345 11.755 1.00 12.57 N ATOM 0 H ASN A 105 44.360 12.920 8.243 1.00 16.00 H new ATOM 0 HA ASN A 105 44.356 10.793 8.026 1.00 17.47 H new ATOM 0 HB2 ASN A 105 41.950 10.979 9.515 1.00 15.59 H new ATOM 0 HB3 ASN A 105 42.797 9.675 9.396 1.00 15.59 H new ATOM 0 HD21 ASN A 105 43.445 11.610 12.452 1.00 12.57 H new ATOM 0 HD22 ASN A 105 42.161 11.262 11.781 1.00 12.57 H new ATOM 819 N GLY A 106 42.911 11.272 5.739 1.00 15.07 N ATOM 820 CA GLY A 106 42.287 10.839 4.505 1.00 19.96 C ATOM 821 C GLY A 106 40.937 11.455 4.190 1.00 21.80 C ATOM 822 O GLY A 106 40.401 11.206 3.100 1.00 23.28 O ATOM 0 H GLY A 106 43.447 11.939 5.651 1.00 15.07 H new ATOM 0 HA2 GLY A 106 42.891 11.035 3.772 1.00 19.96 H new ATOM 0 HA3 GLY A 106 42.183 9.875 4.537 1.00 19.96 H new ATOM 823 N GLN A 107 40.386 12.277 5.078 1.00 18.23 N ATOM 824 CA GLN A 107 39.040 12.819 4.926 1.00 21.30 C ATOM 825 C GLN A 107 39.080 14.334 4.731 1.00 15.69 C ATOM 826 O GLN A 107 39.727 15.053 5.503 1.00 10.98 O ATOM 827 CB GLN A 107 38.204 12.443 6.151 1.00 20.55 C ATOM 828 CG GLN A 107 36.998 13.305 6.421 1.00 29.96 C ATOM 829 CD GLN A 107 36.202 12.816 7.630 1.00 34.51 C ATOM 830 OE1 GLN A 107 35.208 12.105 7.484 1.00 44.59 O ATOM 831 NE2 GLN A 107 36.628 13.211 8.823 1.00 34.20 N ATOM 0 H GLN A 107 40.787 12.538 5.793 1.00 18.23 H new ATOM 0 HA GLN A 107 38.630 12.438 4.134 1.00 21.30 H new ATOM 0 HB2 GLN A 107 37.906 11.526 6.048 1.00 20.55 H new ATOM 0 HB3 GLN A 107 38.779 12.469 6.932 1.00 20.55 H new ATOM 0 HG2 GLN A 107 37.283 14.220 6.571 1.00 29.96 H new ATOM 0 HG3 GLN A 107 36.425 13.311 5.639 1.00 29.96 H new ATOM 0 HE21 GLN A 107 37.327 13.708 8.887 1.00 34.20 H new ATOM 0 HE22 GLN A 107 36.205 12.970 9.532 1.00 34.20 H new ATOM 832 N SER A 108 38.360 14.820 3.722 1.00 12.09 N ATOM 833 CA SER A 108 38.292 16.257 3.478 1.00 16.05 C ATOM 834 C SER A 108 37.617 16.958 4.650 1.00 14.39 C ATOM 835 O SER A 108 36.504 16.607 5.040 1.00 15.27 O ATOM 836 CB SER A 108 37.535 16.548 2.179 1.00 21.23 C ATOM 837 OG SER A 108 37.516 17.946 1.928 1.00 20.55 O ATOM 0 H SER A 108 37.907 14.338 3.172 1.00 12.09 H new ATOM 0 HA SER A 108 39.196 16.597 3.388 1.00 16.05 H new ATOM 0 HB2 SER A 108 37.958 16.085 1.439 1.00 21.23 H new ATOM 0 HB3 SER A 108 36.628 16.211 2.243 1.00 21.23 H new ATOM 0 HG SER A 108 37.845 18.099 1.171 1.00 20.55 H new ATOM 838 N SER A 109 38.294 17.956 5.219 1.00 14.03 N ATOM 839 CA SER A 109 37.834 18.511 6.488 1.00 10.55 C ATOM 840 C SER A 109 37.701 20.027 6.497 1.00 11.16 C ATOM 841 O SER A 109 36.918 20.566 7.282 1.00 12.63 O ATOM 842 CB SER A 109 38.782 18.085 7.615 1.00 14.02 C ATOM 843 OG SER A 109 38.950 16.683 7.629 1.00 16.12 O ATOM 0 H SER A 109 39.004 18.317 4.895 1.00 14.03 H new ATOM 0 HA SER A 109 36.942 18.155 6.623 1.00 10.55 H new ATOM 0 HB2 SER A 109 39.643 18.517 7.499 1.00 14.02 H new ATOM 0 HB3 SER A 109 38.429 18.381 8.469 1.00 14.02 H new ATOM 0 HG SER A 109 39.316 16.437 6.914 1.00 16.12 H new ATOM 844 N TYR A 110 38.497 20.729 5.687 1.00 12.03 N ATOM 845 CA TYR A 110 38.435 22.186 5.615 1.00 12.58 C ATOM 846 C TYR A 110 38.865 22.594 4.216 1.00 11.31 C ATOM 847 O TYR A 110 39.654 21.895 3.578 1.00 9.20 O ATOM 848 CB TYR A 110 39.340 22.877 6.670 1.00 9.54 C ATOM 849 CG TYR A 110 39.292 22.242 8.050 1.00 10.16 C ATOM 850 CD1 TYR A 110 38.353 22.652 8.993 1.00 11.42 C ATOM 851 CD2 TYR A 110 40.181 21.228 8.407 1.00 12.60 C ATOM 852 CE1 TYR A 110 38.291 22.067 10.250 1.00 11.13 C ATOM 853 CE2 TYR A 110 40.127 20.631 9.675 1.00 8.81 C ATOM 854 CZ TYR A 110 39.185 21.058 10.584 1.00 10.20 C ATOM 855 OH TYR A 110 39.115 20.467 11.835 1.00 8.68 O ATOM 0 H TYR A 110 39.084 20.374 5.168 1.00 12.03 H new ATOM 0 HA TYR A 110 37.527 22.470 5.807 1.00 12.58 H new ATOM 0 HB2 TYR A 110 40.256 22.865 6.352 1.00 9.54 H new ATOM 0 HB3 TYR A 110 39.078 23.808 6.745 1.00 9.54 H new ATOM 0 HD1 TYR A 110 37.756 23.331 8.776 1.00 11.42 H new ATOM 0 HD2 TYR A 110 40.820 20.943 7.794 1.00 12.60 H new ATOM 0 HE1 TYR A 110 37.654 22.349 10.866 1.00 11.13 H new ATOM 0 HE2 TYR A 110 40.722 19.953 9.900 1.00 8.81 H new ATOM 0 HH TYR A 110 38.479 20.803 12.269 1.00 8.68 H new ATOM 856 N THR A 111 38.323 23.712 3.727 1.00 11.91 N ATOM 857 CA THR A 111 38.854 24.341 2.527 1.00 13.64 C ATOM 858 C THR A 111 38.888 25.851 2.734 1.00 14.48 C ATOM 859 O THR A 111 38.211 26.396 3.609 1.00 15.20 O ATOM 860 CB THR A 111 38.051 24.006 1.246 1.00 20.60 C ATOM 861 OG1 THR A 111 36.747 24.587 1.323 1.00 23.99 O ATOM 862 CG2 THR A 111 37.926 22.483 1.027 1.00 16.25 C ATOM 0 H THR A 111 37.650 24.117 4.077 1.00 11.91 H new ATOM 0 HA THR A 111 39.746 23.987 2.389 1.00 13.64 H new ATOM 0 HB THR A 111 38.535 24.377 0.492 1.00 20.60 H new ATOM 0 HG1 THR A 111 36.579 24.794 2.120 1.00 23.99 H new ATOM 0 HG21 THR A 111 37.419 22.313 0.218 1.00 16.25 H new ATOM 0 HG22 THR A 111 38.811 22.095 0.941 1.00 16.25 H new ATOM 0 HG23 THR A 111 37.470 22.083 1.784 1.00 16.25 H new ATOM 863 N PHE A 112 39.691 26.523 1.910 1.00 14.67 N ATOM 864 CA PHE A 112 39.963 27.949 2.088 1.00 15.58 C ATOM 865 C PHE A 112 40.298 28.517 0.717 1.00 9.93 C ATOM 866 O PHE A 112 41.323 28.162 0.135 1.00 10.85 O ATOM 867 CB PHE A 112 41.115 28.147 3.072 1.00 12.60 C ATOM 868 CG PHE A 112 41.419 29.591 3.426 1.00 12.63 C ATOM 869 CD1 PHE A 112 40.755 30.221 4.468 1.00 11.25 C ATOM 870 CD2 PHE A 112 42.439 30.275 2.781 1.00 11.45 C ATOM 871 CE1 PHE A 112 41.075 31.526 4.831 1.00 9.54 C ATOM 872 CE2 PHE A 112 42.765 31.575 3.135 1.00 11.46 C ATOM 873 CZ PHE A 112 42.080 32.204 4.161 1.00 11.70 C ATOM 0 H PHE A 112 40.091 26.168 1.236 1.00 14.67 H new ATOM 0 HA PHE A 112 39.194 28.410 2.458 1.00 15.58 H new ATOM 0 HB2 PHE A 112 40.911 27.665 3.888 1.00 12.60 H new ATOM 0 HB3 PHE A 112 41.914 27.745 2.697 1.00 12.60 H new ATOM 0 HD1 PHE A 112 40.088 29.766 4.930 1.00 11.25 H new ATOM 0 HD2 PHE A 112 42.912 29.854 2.100 1.00 11.45 H new ATOM 0 HE1 PHE A 112 40.614 31.943 5.523 1.00 9.54 H new ATOM 0 HE2 PHE A 112 43.443 32.024 2.684 1.00 11.46 H new ATOM 0 HZ PHE A 112 42.294 33.077 4.399 1.00 11.70 H new ATOM 874 N ASP A 113 39.445 29.406 0.220 1.00 13.23 N ATOM 875 CA ASP A 113 39.649 29.991 -1.101 1.00 13.31 C ATOM 876 C ASP A 113 40.905 30.850 -1.137 1.00 14.15 C ATOM 877 O ASP A 113 41.232 31.542 -0.169 1.00 14.71 O ATOM 878 CB ASP A 113 38.432 30.821 -1.492 1.00 19.11 C ATOM 879 CG ASP A 113 37.276 29.954 -1.951 1.00 27.52 C ATOM 880 OD1 ASP A 113 37.491 28.735 -2.096 1.00 23.61 O ATOM 881 OD2 ASP A 113 36.169 30.478 -2.187 1.00 31.49 O ATOM 0 H ASP A 113 38.742 29.684 0.631 1.00 13.23 H new ATOM 0 HA ASP A 113 39.764 29.269 -1.738 1.00 13.31 H new ATOM 0 HB2 ASP A 113 38.151 31.358 -0.735 1.00 19.11 H new ATOM 0 HB3 ASP A 113 38.675 31.436 -2.202 1.00 19.11 H new ATOM 882 N HIS A 114 41.616 30.795 -2.262 1.00 16.05 N ATOM 883 CA HIS A 114 42.831 31.575 -2.410 1.00 13.42 C ATOM 884 C HIS A 114 42.507 33.057 -2.289 1.00 20.15 C ATOM 885 O HIS A 114 41.589 33.557 -2.941 1.00 18.50 O ATOM 886 CB HIS A 114 43.492 31.284 -3.756 1.00 13.61 C ATOM 887 CG HIS A 114 44.007 29.889 -3.880 1.00 15.90 C ATOM 888 ND1 HIS A 114 44.718 29.272 -2.872 1.00 17.44 N ATOM 889 CD2 HIS A 114 43.922 28.988 -4.890 1.00 13.77 C ATOM 890 CE1 HIS A 114 45.043 28.049 -3.252 1.00 15.38 C ATOM 891 NE2 HIS A 114 44.570 27.850 -4.471 1.00 17.10 N ATOM 0 H HIS A 114 41.410 30.314 -2.945 1.00 16.05 H new ATOM 0 HA HIS A 114 43.452 31.328 -1.707 1.00 13.42 H new ATOM 0 HB2 HIS A 114 42.851 31.448 -4.465 1.00 13.61 H new ATOM 0 HB3 HIS A 114 44.226 31.904 -3.888 1.00 13.61 H new ATOM 0 HD2 HIS A 114 43.504 29.116 -5.711 1.00 13.77 H new ATOM 0 HE1 HIS A 114 45.523 27.432 -2.748 1.00 15.38 H new ATOM 0 HE2 HIS A 114 44.654 27.126 -4.928 1.00 17.10 H new ATOM 892 N ARG A 115 43.238 33.750 -1.425 1.00 14.75 N ATOM 893 CA ARG A 115 43.180 35.204 -1.379 1.00 14.81 C ATOM 894 C ARG A 115 44.384 35.839 -2.041 1.00 20.35 C ATOM 895 O ARG A 115 44.298 36.969 -2.523 1.00 21.14 O ATOM 896 CB ARG A 115 43.077 35.679 0.077 1.00 15.13 C ATOM 897 CG ARG A 115 41.841 35.118 0.800 1.00 16.43 C ATOM 898 CD ARG A 115 41.941 35.336 2.305 1.00 15.38 C ATOM 899 NE ARG A 115 40.718 34.947 3.004 1.00 14.31 N ATOM 900 CZ ARG A 115 40.493 35.181 4.293 1.00 15.34 C ATOM 901 NH1 ARG A 115 41.409 35.805 5.029 1.00 10.54 N ATOM 902 NH2 ARG A 115 39.357 34.791 4.850 1.00 12.59 N ATOM 0 H ARG A 115 43.776 33.396 -0.855 1.00 14.75 H new ATOM 0 HA ARG A 115 42.391 35.481 -1.871 1.00 14.81 H new ATOM 0 HB2 ARG A 115 43.876 35.412 0.557 1.00 15.13 H new ATOM 0 HB3 ARG A 115 43.045 36.648 0.095 1.00 15.13 H new ATOM 0 HG2 ARG A 115 41.041 35.548 0.460 1.00 16.43 H new ATOM 0 HG3 ARG A 115 41.755 34.170 0.612 1.00 16.43 H new ATOM 0 HD2 ARG A 115 42.688 34.825 2.655 1.00 15.38 H new ATOM 0 HD3 ARG A 115 42.129 36.271 2.483 1.00 15.38 H new ATOM 0 HE ARG A 115 40.107 34.542 2.554 1.00 14.31 H new ATOM 0 HH11 ARG A 115 42.149 36.058 4.671 1.00 10.54 H new ATOM 0 HH12 ARG A 115 41.261 35.955 5.863 1.00 10.54 H new ATOM 0 HH21 ARG A 115 38.763 34.386 4.378 1.00 12.59 H new ATOM 0 HH22 ARG A 115 39.213 34.943 5.684 1.00 12.59 H new ATOM 903 N ILE A 116 45.489 35.108 -2.065 1.00 17.50 N ATOM 904 CA ILE A 116 46.742 35.466 -2.704 1.00 16.99 C ATOM 905 C ILE A 116 47.140 34.257 -3.532 1.00 22.19 C ATOM 906 O ILE A 116 46.842 33.114 -3.161 1.00 20.16 O ATOM 907 CB ILE A 116 47.821 35.809 -1.647 1.00 16.15 C ATOM 908 CG1 ILE A 116 47.381 37.020 -0.813 1.00 20.86 C ATOM 909 CG2 ILE A 116 49.177 36.016 -2.284 1.00 13.50 C ATOM 910 CD1 ILE A 116 48.028 37.086 0.534 1.00 18.22 C ATOM 0 H ILE A 116 45.528 34.339 -1.683 1.00 17.50 H new ATOM 0 HA ILE A 116 46.650 36.256 -3.259 1.00 16.99 H new ATOM 0 HB ILE A 116 47.914 35.053 -1.046 1.00 16.15 H new ATOM 0 HG12 ILE A 116 47.586 37.832 -1.302 1.00 20.86 H new ATOM 0 HG13 ILE A 116 46.418 36.993 -0.700 1.00 20.86 H new ATOM 0 HG21 ILE A 116 49.828 36.229 -1.597 1.00 13.50 H new ATOM 0 HG22 ILE A 116 49.446 35.205 -2.744 1.00 13.50 H new ATOM 0 HG23 ILE A 116 49.128 36.747 -2.920 1.00 13.50 H new ATOM 0 HD11 ILE A 116 47.709 37.870 1.008 1.00 18.22 H new ATOM 0 HD12 ILE A 116 47.804 36.289 1.040 1.00 18.22 H new ATOM 0 HD13 ILE A 116 48.991 37.142 0.428 1.00 18.22 H new ATOM 911 N LYS A 117 47.787 34.498 -4.669 1.00 15.73 N ATOM 912 CA LYS A 117 48.180 33.374 -5.506 1.00 15.91 C ATOM 913 C LYS A 117 49.117 32.467 -4.711 1.00 16.03 C ATOM 914 O LYS A 117 50.014 32.968 -4.018 1.00 12.86 O ATOM 915 CB LYS A 117 48.849 33.850 -6.809 1.00 16.92 C ATOM 916 CG LYS A 117 50.124 34.683 -6.666 1.00 18.91 C ATOM 917 CD LYS A 117 50.670 35.068 -8.053 1.00 24.16 C ATOM 918 CE LYS A 117 51.731 36.149 -7.977 1.00 26.78 C ATOM 919 NZ LYS A 117 52.330 36.416 -9.317 1.00 36.77 N ATOM 0 H LYS A 117 48.001 35.277 -4.965 1.00 15.73 H new ATOM 0 HA LYS A 117 47.387 32.877 -5.760 1.00 15.91 H new ATOM 0 HB2 LYS A 117 49.057 33.069 -7.345 1.00 16.92 H new ATOM 0 HB3 LYS A 117 48.201 34.372 -7.308 1.00 16.92 H new ATOM 0 HG2 LYS A 117 49.938 35.484 -6.151 1.00 18.91 H new ATOM 0 HG3 LYS A 117 50.793 34.180 -6.176 1.00 18.91 H new ATOM 0 HD2 LYS A 117 51.043 34.281 -8.481 1.00 24.16 H new ATOM 0 HD3 LYS A 117 49.939 35.375 -8.612 1.00 24.16 H new ATOM 0 HE2 LYS A 117 51.340 36.965 -7.627 1.00 26.78 H new ATOM 0 HE3 LYS A 117 52.427 35.879 -7.357 1.00 26.78 H new ATOM 0 HZ1 LYS A 117 52.948 37.052 -9.245 1.00 36.77 H new ATOM 0 HZ2 LYS A 117 52.706 35.672 -9.628 1.00 36.77 H new ATOM 0 HZ3 LYS A 117 51.694 36.683 -9.879 1.00 36.77 H new ATOM 920 N PRO A 118 48.914 31.147 -4.738 1.00 17.37 N ATOM 921 CA PRO A 118 49.844 30.248 -4.028 1.00 16.15 C ATOM 922 C PRO A 118 51.292 30.418 -4.453 1.00 16.31 C ATOM 923 O PRO A 118 52.190 30.060 -3.681 1.00 13.71 O ATOM 924 CB PRO A 118 49.329 28.843 -4.381 1.00 18.10 C ATOM 925 CG PRO A 118 47.930 29.035 -4.837 1.00 24.70 C ATOM 926 CD PRO A 118 47.835 30.416 -5.425 1.00 15.26 C ATOM 0 HA PRO A 118 49.855 30.433 -3.076 1.00 16.15 H new ATOM 0 HB2 PRO A 118 49.870 28.437 -5.076 1.00 18.10 H new ATOM 0 HB3 PRO A 118 49.368 28.254 -3.612 1.00 18.10 H new ATOM 0 HG2 PRO A 118 47.691 28.365 -5.497 1.00 24.70 H new ATOM 0 HG3 PRO A 118 47.312 28.936 -4.096 1.00 24.70 H new ATOM 0 HD2 PRO A 118 47.964 30.406 -6.386 1.00 15.26 H new ATOM 0 HD3 PRO A 118 46.968 30.818 -5.259 1.00 15.26 H new ATOM 927 N GLU A 119 51.553 30.957 -5.653 1.00 11.85 N ATOM 928 CA GLU A 119 52.927 31.193 -6.091 1.00 13.35 C ATOM 929 C GLU A 119 53.641 32.241 -5.250 1.00 15.82 C ATOM 930 O GLU A 119 54.869 32.367 -5.347 1.00 16.99 O ATOM 931 CB GLU A 119 52.941 31.607 -7.575 1.00 19.64 C ATOM 932 CG GLU A 119 52.635 30.453 -8.518 1.00 16.94 C ATOM 933 CD GLU A 119 51.142 30.215 -8.687 1.00 27.09 C ATOM 934 OE1 GLU A 119 50.784 29.277 -9.433 1.00 39.32 O ATOM 935 OE2 GLU A 119 50.323 30.955 -8.082 1.00 20.37 O ATOM 0 H GLU A 119 50.950 31.190 -6.221 1.00 11.85 H new ATOM 0 HA GLU A 119 53.410 30.360 -5.975 1.00 13.35 H new ATOM 0 HB2 GLU A 119 52.291 32.313 -7.715 1.00 19.64 H new ATOM 0 HB3 GLU A 119 53.811 31.975 -7.795 1.00 19.64 H new ATOM 0 HG2 GLU A 119 53.030 30.635 -9.385 1.00 16.94 H new ATOM 0 HG3 GLU A 119 53.052 29.645 -8.180 1.00 16.94 H new ATOM 936 N ALA A 120 52.919 32.985 -4.420 1.00 13.93 N ATOM 937 CA ALA A 120 53.577 33.914 -3.516 1.00 12.50 C ATOM 938 C ALA A 120 54.228 33.226 -2.317 1.00 14.76 C ATOM 939 O ALA A 120 55.041 33.862 -1.645 1.00 15.79 O ATOM 940 CB ALA A 120 52.583 34.967 -3.032 1.00 11.60 C ATOM 0 H ALA A 120 52.061 32.967 -4.366 1.00 13.93 H new ATOM 0 HA ALA A 120 54.290 34.335 -4.021 1.00 12.50 H new ATOM 0 HB1 ALA A 120 53.030 35.582 -2.430 1.00 11.60 H new ATOM 0 HB2 ALA A 120 52.234 35.457 -3.793 1.00 11.60 H new ATOM 0 HB3 ALA A 120 51.852 34.532 -2.565 1.00 11.60 H new ATOM 941 N VAL A 121 53.925 31.951 -2.053 1.00 13.94 N ATOM 942 CA VAL A 121 54.481 31.268 -0.883 1.00 12.57 C ATOM 943 C VAL A 121 55.977 31.038 -1.069 1.00 11.70 C ATOM 944 O VAL A 121 56.424 30.542 -2.112 1.00 13.81 O ATOM 945 CB VAL A 121 53.745 29.940 -0.639 1.00 11.06 C ATOM 946 CG1 VAL A 121 54.418 29.151 0.493 1.00 12.03 C ATOM 947 CG2 VAL A 121 52.265 30.206 -0.302 1.00 12.79 C ATOM 0 H VAL A 121 53.403 31.468 -2.536 1.00 13.94 H new ATOM 0 HA VAL A 121 54.355 31.829 -0.102 1.00 12.57 H new ATOM 0 HB VAL A 121 53.789 29.409 -1.450 1.00 11.06 H new ATOM 0 HG11 VAL A 121 53.942 28.317 0.634 1.00 12.03 H new ATOM 0 HG12 VAL A 121 55.338 28.961 0.253 1.00 12.03 H new ATOM 0 HG13 VAL A 121 54.399 29.675 1.309 1.00 12.03 H new ATOM 0 HG21 VAL A 121 51.811 29.362 -0.150 1.00 12.79 H new ATOM 0 HG22 VAL A 121 52.208 30.752 0.498 1.00 12.79 H new ATOM 0 HG23 VAL A 121 51.843 30.671 -1.041 1.00 12.79 H new ATOM 948 N LYS A 122 56.762 31.384 -0.052 1.00 7.59 N ATOM 949 CA LYS A 122 58.176 31.047 -0.040 1.00 9.17 C ATOM 950 C LYS A 122 58.589 30.176 1.137 1.00 15.28 C ATOM 951 O LYS A 122 59.738 29.713 1.170 1.00 11.94 O ATOM 952 CB LYS A 122 59.037 32.321 -0.042 1.00 14.17 C ATOM 953 CG LYS A 122 59.103 33.024 -1.403 1.00 14.57 C ATOM 954 CD LYS A 122 60.147 34.133 -1.357 1.00 21.09 C ATOM 955 CE LYS A 122 60.100 35.022 -2.588 1.00 25.66 C ATOM 956 NZ LYS A 122 61.149 36.087 -2.479 1.00 32.07 N ATOM 0 H LYS A 122 56.491 31.815 0.641 1.00 7.59 H new ATOM 0 HA LYS A 122 58.325 30.531 -0.848 1.00 9.17 H new ATOM 0 HB2 LYS A 122 58.684 32.941 0.615 1.00 14.17 H new ATOM 0 HB3 LYS A 122 59.937 32.093 0.238 1.00 14.17 H new ATOM 0 HG2 LYS A 122 59.328 32.384 -2.097 1.00 14.57 H new ATOM 0 HG3 LYS A 122 58.235 33.394 -1.629 1.00 14.57 H new ATOM 0 HD2 LYS A 122 60.006 34.674 -0.564 1.00 21.09 H new ATOM 0 HD3 LYS A 122 61.030 33.740 -1.278 1.00 21.09 H new ATOM 0 HE2 LYS A 122 60.246 34.492 -3.387 1.00 25.66 H new ATOM 0 HE3 LYS A 122 59.223 35.427 -2.673 1.00 25.66 H new ATOM 0 HZ1 LYS A 122 61.120 36.607 -3.201 1.00 32.07 H new ATOM 0 HZ2 LYS A 122 60.998 36.579 -1.753 1.00 32.07 H new ATOM 0 HZ3 LYS A 122 61.952 35.708 -2.419 1.00 32.07 H new ATOM 957 N MET A 123 57.700 29.927 2.094 1.00 11.36 N ATOM 958 CA MET A 123 58.096 29.219 3.301 1.00 10.45 C ATOM 959 C MET A 123 56.842 28.666 3.966 1.00 11.53 C ATOM 960 O MET A 123 55.768 29.253 3.865 1.00 8.61 O ATOM 961 CB MET A 123 58.868 30.155 4.247 1.00 12.05 C ATOM 962 CG MET A 123 59.208 29.562 5.619 1.00 12.01 C ATOM 963 SD MET A 123 57.946 29.860 6.882 1.00 13.97 S ATOM 964 CE MET A 123 58.421 31.482 7.533 1.00 13.04 C ATOM 0 H MET A 123 56.872 30.157 2.063 1.00 11.36 H new ATOM 0 HA MET A 123 58.691 28.486 3.079 1.00 10.45 H new ATOM 0 HB2 MET A 123 59.693 30.421 3.812 1.00 12.05 H new ATOM 0 HB3 MET A 123 58.344 30.961 4.380 1.00 12.05 H new ATOM 0 HG2 MET A 123 59.338 28.605 5.524 1.00 12.01 H new ATOM 0 HG3 MET A 123 60.051 29.935 5.922 1.00 12.01 H new ATOM 0 HE1 MET A 123 57.791 31.753 8.219 1.00 13.04 H new ATOM 0 HE2 MET A 123 59.311 31.430 7.914 1.00 13.04 H new ATOM 0 HE3 MET A 123 58.415 32.134 6.814 1.00 13.04 H new ATOM 965 N VAL A 124 56.994 27.524 4.635 1.00 9.85 N ATOM 966 CA VAL A 124 55.923 26.900 5.403 1.00 10.35 C ATOM 967 C VAL A 124 56.446 26.716 6.819 1.00 11.85 C ATOM 968 O VAL A 124 57.575 26.245 7.012 1.00 10.01 O ATOM 969 CB VAL A 124 55.490 25.548 4.802 1.00 10.87 C ATOM 970 CG1 VAL A 124 54.479 24.856 5.722 1.00 10.85 C ATOM 971 CG2 VAL A 124 54.904 25.730 3.385 1.00 8.72 C ATOM 0 H VAL A 124 57.733 27.085 4.654 1.00 9.85 H new ATOM 0 HA VAL A 124 55.134 27.464 5.389 1.00 10.35 H new ATOM 0 HB VAL A 124 56.276 24.985 4.727 1.00 10.87 H new ATOM 0 HG11 VAL A 124 54.215 24.008 5.333 1.00 10.85 H new ATOM 0 HG12 VAL A 124 54.884 24.701 6.590 1.00 10.85 H new ATOM 0 HG13 VAL A 124 53.697 25.420 5.827 1.00 10.85 H new ATOM 0 HG21 VAL A 124 54.640 24.867 3.030 1.00 8.72 H new ATOM 0 HG22 VAL A 124 54.129 26.312 3.427 1.00 8.72 H new ATOM 0 HG23 VAL A 124 55.574 26.126 2.806 1.00 8.72 H new ATOM 972 N GLN A 125 55.648 27.107 7.805 1.00 8.93 N ATOM 973 CA GLN A 125 56.043 26.954 9.195 1.00 10.21 C ATOM 974 C GLN A 125 54.996 26.130 9.926 1.00 13.81 C ATOM 975 O GLN A 125 53.797 26.392 9.794 1.00 9.29 O ATOM 976 CB GLN A 125 56.225 28.302 9.878 1.00 9.39 C ATOM 977 CG GLN A 125 56.786 28.154 11.301 1.00 14.85 C ATOM 978 CD GLN A 125 57.077 29.483 11.940 1.00 24.35 C ATOM 979 OE1 GLN A 125 56.173 30.285 12.158 1.00 33.30 O ATOM 980 NE2 GLN A 125 58.345 29.735 12.230 1.00 32.42 N ATOM 0 H GLN A 125 54.874 27.463 7.689 1.00 8.93 H new ATOM 0 HA GLN A 125 56.899 26.498 9.222 1.00 10.21 H new ATOM 0 HB2 GLN A 125 56.824 28.853 9.350 1.00 9.39 H new ATOM 0 HB3 GLN A 125 55.373 28.764 9.913 1.00 9.39 H new ATOM 0 HG2 GLN A 125 56.150 27.667 11.848 1.00 14.85 H new ATOM 0 HG3 GLN A 125 57.599 27.626 11.273 1.00 14.85 H new ATOM 0 HE21 GLN A 125 58.950 29.147 12.062 1.00 32.42 H new ATOM 0 HE22 GLN A 125 58.563 30.487 12.586 1.00 32.42 H new ATOM 981 N VAL A 126 55.449 25.131 10.682 1.00 7.98 N ATOM 982 CA VAL A 126 54.578 24.296 11.503 1.00 9.61 C ATOM 983 C VAL A 126 54.960 24.543 12.956 1.00 11.86 C ATOM 984 O VAL A 126 56.144 24.458 13.308 1.00 9.48 O ATOM 985 CB VAL A 126 54.712 22.801 11.148 1.00 11.19 C ATOM 986 CG1 VAL A 126 53.757 21.957 12.005 1.00 9.41 C ATOM 987 CG2 VAL A 126 54.428 22.561 9.675 1.00 10.87 C ATOM 0 H VAL A 126 56.281 24.918 10.732 1.00 7.98 H new ATOM 0 HA VAL A 126 53.650 24.529 11.343 1.00 9.61 H new ATOM 0 HB VAL A 126 55.626 22.534 11.333 1.00 11.19 H new ATOM 0 HG11 VAL A 126 53.853 21.021 11.770 1.00 9.41 H new ATOM 0 HG12 VAL A 126 53.971 22.078 12.943 1.00 9.41 H new ATOM 0 HG13 VAL A 126 52.843 22.238 11.844 1.00 9.41 H new ATOM 0 HG21 VAL A 126 54.519 21.616 9.478 1.00 10.87 H new ATOM 0 HG22 VAL A 126 53.525 22.849 9.468 1.00 10.87 H new ATOM 0 HG23 VAL A 126 55.059 23.065 9.137 1.00 10.87 H new ATOM 988 N ALA A 127 53.977 24.871 13.791 1.00 7.96 N ATOM 989 CA ALA A 127 54.276 25.310 15.150 1.00 8.43 C ATOM 990 C ALA A 127 53.186 24.861 16.116 1.00 12.00 C ATOM 991 O ALA A 127 52.152 24.307 15.721 1.00 8.53 O ATOM 992 CB ALA A 127 54.439 26.842 15.224 1.00 9.78 C ATOM 0 H ALA A 127 53.140 24.847 13.593 1.00 7.96 H new ATOM 0 HA ALA A 127 55.116 24.900 15.408 1.00 8.43 H new ATOM 0 HB1 ALA A 127 54.637 27.103 16.137 1.00 9.78 H new ATOM 0 HB2 ALA A 127 55.166 27.119 14.645 1.00 9.78 H new ATOM 0 HB3 ALA A 127 53.617 27.269 14.937 1.00 9.78 H new ATOM 993 N ARG A 128 53.454 25.135 17.398 1.00 10.07 N ATOM 994 CA ARG A 128 52.606 24.921 18.572 1.00 10.78 C ATOM 995 C ARG A 128 52.722 23.490 19.105 1.00 14.59 C ATOM 996 O ARG A 128 53.815 22.916 19.077 1.00 14.29 O ATOM 997 CB ARG A 128 51.168 25.355 18.274 1.00 13.34 C ATOM 998 CG ARG A 128 51.153 26.857 17.898 1.00 13.16 C ATOM 999 CD ARG A 128 49.853 27.537 18.213 1.00 14.97 C ATOM 1000 NE ARG A 128 49.682 28.827 17.529 1.00 13.34 N ATOM 1001 CZ ARG A 128 50.005 30.003 18.054 1.00 16.89 C ATOM 1002 NH1 ARG A 128 50.551 30.065 19.260 1.00 20.21 N ATOM 1003 NH2 ARG A 128 49.782 31.122 17.383 1.00 15.70 N ATOM 0 H ARG A 128 54.208 25.483 17.620 1.00 10.07 H new ATOM 0 HA ARG A 128 52.923 25.484 19.295 1.00 10.78 H new ATOM 0 HB2 ARG A 128 50.804 24.826 17.548 1.00 13.34 H new ATOM 0 HB3 ARG A 128 50.605 25.199 19.049 1.00 13.34 H new ATOM 0 HG2 ARG A 128 51.870 27.309 18.370 1.00 13.16 H new ATOM 0 HG3 ARG A 128 51.337 26.948 16.950 1.00 13.16 H new ATOM 0 HD2 ARG A 128 49.122 26.950 17.967 1.00 14.97 H new ATOM 0 HD3 ARG A 128 49.794 27.677 19.171 1.00 14.97 H new ATOM 0 HE ARG A 128 49.350 28.819 16.736 1.00 13.34 H new ATOM 0 HH11 ARG A 128 50.697 29.343 19.704 1.00 20.21 H new ATOM 0 HH12 ARG A 128 50.760 30.827 19.599 1.00 20.21 H new ATOM 0 HH21 ARG A 128 49.425 31.091 16.601 1.00 15.70 H new ATOM 0 HH22 ARG A 128 49.994 31.880 17.729 1.00 15.70 H new ATOM 1004 N ASP A 129 51.642 22.914 19.629 1.00 11.04 N ATOM 1005 CA ASP A 129 51.757 21.833 20.620 1.00 12.99 C ATOM 1006 C ASP A 129 51.661 20.451 19.976 1.00 12.98 C ATOM 1007 O ASP A 129 50.804 19.637 20.324 1.00 10.29 O ATOM 1008 CB ASP A 129 50.689 22.001 21.699 1.00 12.30 C ATOM 1009 CG ASP A 129 50.645 23.416 22.253 1.00 15.39 C ATOM 1010 OD1 ASP A 129 51.634 23.819 22.898 1.00 23.47 O ATOM 1011 OD2 ASP A 129 49.634 24.123 22.039 1.00 16.39 O ATOM 0 H ASP A 129 50.834 23.130 19.428 1.00 11.04 H new ATOM 0 HA ASP A 129 52.635 21.895 21.027 1.00 12.99 H new ATOM 0 HB2 ASP A 129 49.821 21.773 21.330 1.00 12.30 H new ATOM 0 HB3 ASP A 129 50.862 21.378 22.422 1.00 12.30 H new ATOM 1012 N ILE A 130 52.564 20.172 19.033 1.00 8.53 N ATOM 1013 CA ILE A 130 52.621 18.857 18.416 1.00 10.57 C ATOM 1014 C ILE A 130 54.062 18.371 18.377 1.00 14.10 C ATOM 1015 O ILE A 130 55.012 19.158 18.396 1.00 11.36 O ATOM 1016 CB ILE A 130 52.025 18.859 16.987 1.00 11.35 C ATOM 1017 CG1 ILE A 130 52.827 19.799 16.074 1.00 10.27 C ATOM 1018 CG2 ILE A 130 50.544 19.247 17.017 1.00 9.14 C ATOM 1019 CD1 ILE A 130 52.984 19.242 14.660 1.00 18.43 C ATOM 0 H ILE A 130 53.148 20.732 18.741 1.00 8.53 H new ATOM 0 HA ILE A 130 52.084 18.255 18.954 1.00 10.57 H new ATOM 0 HB ILE A 130 52.088 17.961 16.625 1.00 11.35 H new ATOM 0 HG12 ILE A 130 52.384 20.661 16.032 1.00 10.27 H new ATOM 0 HG13 ILE A 130 53.704 19.949 16.459 1.00 10.27 H new ATOM 0 HG21 ILE A 130 50.190 19.242 16.114 1.00 9.14 H new ATOM 0 HG22 ILE A 130 50.053 18.610 17.560 1.00 9.14 H new ATOM 0 HG23 ILE A 130 50.449 20.135 17.396 1.00 9.14 H new ATOM 0 HD11 ILE A 130 53.495 19.866 14.121 1.00 18.43 H new ATOM 0 HD12 ILE A 130 53.449 18.391 14.697 1.00 18.43 H new ATOM 0 HD13 ILE A 130 52.108 19.114 14.263 1.00 18.43 H new ATOM 1020 N SER A 131 54.213 17.059 18.321 1.00 11.75 N ATOM 1021 CA SER A 131 55.434 16.453 17.834 1.00 14.07 C ATOM 1022 C SER A 131 55.240 16.164 16.351 1.00 14.83 C ATOM 1023 O SER A 131 54.131 15.863 15.912 1.00 11.32 O ATOM 1024 CB SER A 131 55.747 15.174 18.608 1.00 18.73 C ATOM 1025 OG SER A 131 54.691 14.250 18.446 1.00 13.49 O ATOM 0 H SER A 131 53.610 16.496 18.564 1.00 11.75 H new ATOM 0 HA SER A 131 56.187 17.051 17.962 1.00 14.07 H new ATOM 0 HB2 SER A 131 56.578 14.788 18.290 1.00 18.73 H new ATOM 0 HB3 SER A 131 55.870 15.376 19.549 1.00 18.73 H new ATOM 0 HG SER A 131 54.942 13.621 17.949 1.00 13.49 H new ATOM 1026 N LEU A 132 56.307 16.310 15.572 1.00 10.21 N ATOM 1027 CA LEU A 132 56.221 16.224 14.118 1.00 14.28 C ATOM 1028 C LEU A 132 57.159 15.125 13.641 1.00 14.85 C ATOM 1029 O LEU A 132 58.367 15.199 13.881 1.00 17.48 O ATOM 1030 CB LEU A 132 56.595 17.573 13.500 1.00 12.26 C ATOM 1031 CG LEU A 132 56.570 17.796 11.993 1.00 17.29 C ATOM 1032 CD1 LEU A 132 55.145 17.660 11.480 1.00 17.11 C ATOM 1033 CD2 LEU A 132 57.117 19.189 11.696 1.00 15.31 C ATOM 0 H LEU A 132 57.099 16.461 15.870 1.00 10.21 H new ATOM 0 HA LEU A 132 55.316 16.009 13.843 1.00 14.28 H new ATOM 0 HB2 LEU A 132 56.005 18.235 13.892 1.00 12.26 H new ATOM 0 HB3 LEU A 132 57.494 17.781 13.800 1.00 12.26 H new ATOM 0 HG LEU A 132 57.120 17.134 11.546 1.00 17.29 H new ATOM 0 HD11 LEU A 132 55.131 17.802 10.521 1.00 17.11 H new ATOM 0 HD12 LEU A 132 54.813 16.771 11.679 1.00 17.11 H new ATOM 0 HD13 LEU A 132 54.581 18.320 11.912 1.00 17.11 H new ATOM 0 HD21 LEU A 132 57.106 19.344 10.738 1.00 15.31 H new ATOM 0 HD22 LEU A 132 56.565 19.854 12.137 1.00 15.31 H new ATOM 0 HD23 LEU A 132 58.027 19.256 12.024 1.00 15.31 H new ATOM 1034 N THR A 133 56.617 14.110 12.971 1.00 14.22 N ATOM 1035 CA THR A 133 57.471 13.041 12.471 1.00 15.88 C ATOM 1036 C THR A 133 57.681 13.069 10.964 1.00 18.69 C ATOM 1037 O THR A 133 58.650 12.470 10.490 1.00 22.01 O ATOM 1038 CB THR A 133 56.926 11.657 12.854 1.00 20.87 C ATOM 1039 OG1 THR A 133 55.561 11.529 12.444 1.00 21.11 O ATOM 1040 CG2 THR A 133 57.050 11.430 14.364 1.00 29.51 C ATOM 0 H THR A 133 55.779 14.023 12.799 1.00 14.22 H new ATOM 0 HA THR A 133 58.329 13.200 12.896 1.00 15.88 H new ATOM 0 HB THR A 133 57.453 10.983 12.397 1.00 20.87 H new ATOM 0 HG1 THR A 133 55.072 11.443 13.121 1.00 21.11 H new ATOM 0 HG21 THR A 133 56.702 10.553 14.589 1.00 29.51 H new ATOM 0 HG22 THR A 133 57.983 11.484 14.624 1.00 29.51 H new ATOM 0 HG23 THR A 133 56.544 12.109 14.836 1.00 29.51 H new ATOM 1041 N LYS A 134 56.824 13.747 10.207 1.00 15.17 N ATOM 1042 CA LYS A 134 56.943 13.762 8.755 1.00 15.38 C ATOM 1043 C LYS A 134 56.467 15.108 8.226 1.00 15.31 C ATOM 1044 O LYS A 134 55.423 15.606 8.652 1.00 12.93 O ATOM 1045 CB LYS A 134 56.136 12.626 8.108 1.00 15.47 C ATOM 1046 CG LYS A 134 56.105 12.664 6.572 1.00 28.19 C ATOM 1047 CD LYS A 134 57.468 12.713 5.888 1.00 40.43 C ATOM 1048 CE LYS A 134 57.409 11.871 4.596 1.00 48.45 C ATOM 1049 NZ LYS A 134 58.223 12.458 3.478 1.00 44.28 N ATOM 0 H LYS A 134 56.165 14.206 10.516 1.00 15.17 H new ATOM 0 HA LYS A 134 57.875 13.626 8.524 1.00 15.38 H new ATOM 0 HB2 LYS A 134 56.509 11.777 8.392 1.00 15.47 H new ATOM 0 HB3 LYS A 134 55.225 12.661 8.440 1.00 15.47 H new ATOM 0 HG2 LYS A 134 55.629 11.881 6.254 1.00 28.19 H new ATOM 0 HG3 LYS A 134 55.593 13.439 6.294 1.00 28.19 H new ATOM 0 HD2 LYS A 134 57.706 13.630 5.680 1.00 40.43 H new ATOM 0 HD3 LYS A 134 58.154 12.369 6.482 1.00 40.43 H new ATOM 0 HE2 LYS A 134 57.727 10.974 4.785 1.00 48.45 H new ATOM 0 HE3 LYS A 134 56.486 11.790 4.310 1.00 48.45 H new ATOM 0 HZ1 LYS A 134 57.695 12.623 2.781 1.00 44.28 H new ATOM 0 HZ2 LYS A 134 58.599 13.217 3.751 1.00 44.28 H new ATOM 0 HZ3 LYS A 134 58.858 11.882 3.239 1.00 44.28 H new ATOM 1050 N PHE A 135 57.247 15.705 7.318 1.00 10.83 N ATOM 1051 CA PHE A 135 56.840 16.925 6.618 1.00 11.25 C ATOM 1052 C PHE A 135 57.315 16.814 5.182 1.00 15.88 C ATOM 1053 O PHE A 135 58.508 16.626 4.932 1.00 14.52 O ATOM 1054 CB PHE A 135 57.415 18.208 7.237 1.00 7.83 C ATOM 1055 CG PHE A 135 56.995 19.474 6.512 1.00 14.60 C ATOM 1056 CD1 PHE A 135 57.680 19.915 5.379 1.00 16.91 C ATOM 1057 CD2 PHE A 135 55.909 20.210 6.953 1.00 14.16 C ATOM 1058 CE1 PHE A 135 57.287 21.062 4.700 1.00 16.49 C ATOM 1059 CE2 PHE A 135 55.508 21.363 6.287 1.00 13.37 C ATOM 1060 CZ PHE A 135 56.202 21.793 5.151 1.00 14.63 C ATOM 0 H PHE A 135 58.024 15.414 7.093 1.00 10.83 H new ATOM 0 HA PHE A 135 55.875 16.996 6.684 1.00 11.25 H new ATOM 0 HB2 PHE A 135 57.133 18.266 8.163 1.00 7.83 H new ATOM 0 HB3 PHE A 135 58.383 18.151 7.239 1.00 7.83 H new ATOM 0 HD1 PHE A 135 58.413 19.432 5.073 1.00 16.91 H new ATOM 0 HD2 PHE A 135 55.441 19.929 7.706 1.00 14.16 H new ATOM 0 HE1 PHE A 135 57.752 21.338 3.944 1.00 16.49 H new ATOM 0 HE2 PHE A 135 54.778 21.849 6.597 1.00 13.37 H new ATOM 0 HZ PHE A 135 55.937 22.563 4.703 1.00 14.63 H new ATOM 1061 N ASN A 136 56.394 16.955 4.245 1.00 13.09 N ATOM 1062 CA ASN A 136 56.749 16.820 2.845 1.00 21.34 C ATOM 1063 C ASN A 136 55.948 17.803 2.008 1.00 22.60 C ATOM 1064 O ASN A 136 54.739 17.947 2.207 1.00 18.54 O ATOM 1065 CB ASN A 136 56.506 15.391 2.366 1.00 22.89 C ATOM 1066 CG ASN A 136 56.926 15.193 0.927 1.00 32.24 C ATOM 1067 OD1 ASN A 136 56.154 15.450 0.004 1.00 28.33 O ATOM 1068 ND2 ASN A 136 58.163 14.750 0.726 1.00 33.27 N ATOM 0 H ASN A 136 55.565 17.127 4.396 1.00 13.09 H new ATOM 0 HA ASN A 136 57.693 17.019 2.743 1.00 21.34 H new ATOM 0 HB2 ASN A 136 56.996 14.774 2.932 1.00 22.89 H new ATOM 0 HB3 ASN A 136 55.565 15.176 2.459 1.00 22.89 H new ATOM 0 HD21 ASN A 136 58.453 14.632 -0.075 1.00 33.27 H new ATOM 0 HD22 ASN A 136 58.674 14.581 1.397 1.00 33.27 H new ATOM 1069 N VAL A 137 56.630 18.486 1.087 1.00 19.64 N ATOM 1070 CA VAL A 137 55.995 19.284 0.044 1.00 19.04 C ATOM 1071 C VAL A 137 56.281 18.602 -1.285 1.00 26.11 C ATOM 1072 O VAL A 137 57.442 18.320 -1.605 1.00 22.14 O ATOM 1073 CB VAL A 137 56.512 20.735 0.038 1.00 23.75 C ATOM 1074 CG1 VAL A 137 55.904 21.525 -1.124 1.00 18.60 C ATOM 1075 CG2 VAL A 137 56.222 21.414 1.367 1.00 21.81 C ATOM 0 H VAL A 137 57.489 18.497 1.053 1.00 19.64 H new ATOM 0 HA VAL A 137 55.040 19.337 0.206 1.00 19.04 H new ATOM 0 HB VAL A 137 57.474 20.714 -0.086 1.00 23.75 H new ATOM 0 HG11 VAL A 137 56.242 22.434 -1.109 1.00 18.60 H new ATOM 0 HG12 VAL A 137 56.146 21.104 -1.964 1.00 18.60 H new ATOM 0 HG13 VAL A 137 54.938 21.538 -1.036 1.00 18.60 H new ATOM 0 HG21 VAL A 137 56.554 22.325 1.344 1.00 21.81 H new ATOM 0 HG22 VAL A 137 55.265 21.423 1.524 1.00 21.81 H new ATOM 0 HG23 VAL A 137 56.662 20.928 2.082 1.00 21.81 H new ATOM 1076 N SER A 138 55.230 18.324 -2.046 1.00 16.08 N ATOM 1077 CA SER A 138 55.384 17.697 -3.351 1.00 26.67 C ATOM 1078 C SER A 138 55.813 18.714 -4.407 1.00 30.46 C ATOM 1079 O SER A 138 55.319 19.850 -4.437 1.00 25.07 O ATOM 1080 CB SER A 138 54.072 17.049 -3.776 1.00 23.51 C ATOM 1081 OG SER A 138 53.133 18.065 -4.076 1.00 19.98 O ATOM 0 H SER A 138 54.416 18.491 -1.824 1.00 16.08 H new ATOM 0 HA SER A 138 56.075 17.021 -3.277 1.00 26.67 H new ATOM 0 HB2 SER A 138 54.213 16.484 -4.551 1.00 23.51 H new ATOM 0 HB3 SER A 138 53.734 16.479 -3.067 1.00 23.51 H new ATOM 0 HG SER A 138 53.125 18.203 -4.904 1.00 19.98 H new ATOM 1082 N TYR A 139 56.712 18.289 -5.300 1.00 21.77 N ATOM 1083 CA TYR A 139 57.253 19.155 -6.345 1.00 24.75 C ATOM 1084 C TYR A 139 57.263 18.457 -7.698 1.00 29.12 C ATOM 1085 O TYR A 139 58.222 18.588 -8.465 1.00 28.25 O ATOM 1086 CB TYR A 139 58.674 19.600 -6.010 1.00 20.68 C ATOM 1087 CG TYR A 139 58.775 20.591 -4.889 1.00 21.55 C ATOM 1088 CD1 TYR A 139 58.528 21.947 -5.110 1.00 22.45 C ATOM 1089 CD2 TYR A 139 59.146 20.180 -3.614 1.00 19.88 C ATOM 1090 CE1 TYR A 139 58.632 22.869 -4.075 1.00 18.76 C ATOM 1091 CE2 TYR A 139 59.252 21.093 -2.569 1.00 20.77 C ATOM 1092 CZ TYR A 139 58.993 22.434 -2.812 1.00 21.71 C ATOM 1093 OH TYR A 139 59.103 23.338 -1.788 1.00 21.91 O ATOM 0 H TYR A 139 57.024 17.488 -5.314 1.00 21.77 H new ATOM 0 HA TYR A 139 56.673 19.931 -6.392 1.00 24.75 H new ATOM 0 HB2 TYR A 139 59.199 18.817 -5.781 1.00 20.68 H new ATOM 0 HB3 TYR A 139 59.074 19.987 -6.804 1.00 20.68 H new ATOM 0 HD1 TYR A 139 58.291 22.237 -5.961 1.00 22.45 H new ATOM 0 HD2 TYR A 139 59.326 19.281 -3.457 1.00 19.88 H new ATOM 0 HE1 TYR A 139 58.461 23.770 -4.230 1.00 18.76 H new ATOM 0 HE2 TYR A 139 59.494 20.807 -1.718 1.00 20.77 H new ATOM 0 HH TYR A 139 59.259 22.931 -1.070 1.00 21.91 H new ATOM 1094 N LEU A 140 56.202 17.716 -8.027 1.00 26.52 N ATOM 1095 CA LEU A 140 56.222 16.880 -9.224 1.00 30.34 C ATOM 1096 C LEU A 140 55.620 17.549 -10.456 1.00 29.28 C ATOM 1097 O LEU A 140 55.870 17.087 -11.580 1.00 24.59 O ATOM 1098 CB LEU A 140 55.493 15.556 -8.955 1.00 30.89 C ATOM 1099 CG LEU A 140 56.105 14.556 -7.956 1.00 32.64 C ATOM 1100 CD1 LEU A 140 57.629 14.542 -8.015 1.00 32.26 C ATOM 1101 CD2 LEU A 140 55.637 14.831 -6.527 1.00 41.34 C ATOM 0 H LEU A 140 55.471 17.685 -7.575 1.00 26.52 H new ATOM 0 HA LEU A 140 57.158 16.722 -9.423 1.00 30.34 H new ATOM 0 HB2 LEU A 140 54.600 15.771 -8.644 1.00 30.89 H new ATOM 0 HB3 LEU A 140 55.394 15.098 -9.804 1.00 30.89 H new ATOM 0 HG LEU A 140 55.788 13.678 -8.221 1.00 32.64 H new ATOM 0 HD11 LEU A 140 57.972 13.901 -7.373 1.00 32.26 H new ATOM 0 HD12 LEU A 140 57.916 14.291 -8.907 1.00 32.26 H new ATOM 0 HD13 LEU A 140 57.969 15.425 -7.803 1.00 32.26 H new ATOM 0 HD21 LEU A 140 56.039 14.186 -5.925 1.00 41.34 H new ATOM 0 HD22 LEU A 140 55.903 15.726 -6.266 1.00 41.34 H new ATOM 0 HD23 LEU A 140 54.671 14.756 -6.483 1.00 41.34 H new ATOM 1102 N LYS A 141 54.861 18.631 -10.296 1.00 33.65 N ATOM 1103 CA LYS A 141 54.128 19.203 -11.417 1.00 37.79 C ATOM 1104 C LYS A 141 54.789 20.485 -11.918 1.00 33.05 C ATOM 1105 O LYS A 141 55.511 21.173 -11.190 1.00 25.41 O ATOM 1106 CB LYS A 141 52.661 19.457 -11.042 1.00 41.09 C ATOM 1107 CG LYS A 141 51.851 18.183 -10.797 1.00 36.16 C ATOM 1108 CD LYS A 141 50.632 18.484 -9.933 1.00 44.37 C ATOM 1109 CE LYS A 141 50.072 17.243 -9.231 1.00 46.18 C ATOM 1110 NZ LYS A 141 49.066 16.483 -10.039 1.00 46.18 N ATOM 0 H LYS A 141 54.759 19.046 -9.550 1.00 33.65 H new ATOM 0 HA LYS A 141 54.148 18.557 -12.140 1.00 37.79 H new ATOM 0 HB2 LYS A 141 52.632 20.006 -10.243 1.00 41.09 H new ATOM 0 HB3 LYS A 141 52.239 19.966 -11.752 1.00 41.09 H new ATOM 0 HG2 LYS A 141 51.568 17.805 -11.644 1.00 36.16 H new ATOM 0 HG3 LYS A 141 52.407 17.518 -10.361 1.00 36.16 H new ATOM 0 HD2 LYS A 141 50.871 19.146 -9.266 1.00 44.37 H new ATOM 0 HD3 LYS A 141 49.939 18.876 -10.487 1.00 44.37 H new ATOM 0 HE2 LYS A 141 50.807 16.651 -9.008 1.00 46.18 H new ATOM 0 HE3 LYS A 141 49.662 17.514 -8.395 1.00 46.18 H new ATOM 0 HZ1 LYS A 141 48.783 15.778 -9.575 1.00 46.18 H new ATOM 0 HZ2 LYS A 141 48.375 17.011 -10.226 1.00 46.18 H new ATOM 0 HZ3 LYS A 141 49.441 16.207 -10.797 1.00 46.18 H new ATOM 1111 N ARG A 142 54.547 20.787 -13.195 1.00 32.24 N ATOM 1112 CA ARG A 142 55.117 21.977 -13.826 1.00 33.12 C ATOM 1113 C ARG A 142 54.606 23.245 -13.145 1.00 49.06 C ATOM 1114 O ARG A 142 55.378 24.173 -12.875 1.00 45.12 O ATOM 1115 CB ARG A 142 54.790 22.011 -15.320 1.00 34.14 C ATOM 1116 OXT ARG A 142 53.414 23.356 -12.835 1.00 56.93 O ATOM 0 H ARG A 142 54.053 20.312 -13.715 1.00 32.24 H new ATOM 0 HA ARG A 142 56.081 21.937 -13.724 1.00 33.12 H new TER 1117 ARG A 142 HETATM 1118 O HOH A 201 64.736 15.988 12.922 1.00 27.70 O HETATM 1119 O HOH A 202 59.578 14.637 2.654 1.00 36.08 O HETATM 1120 O HOH A 203 36.233 41.073 7.206 1.00 50.18 O HETATM 1121 O HOH A 204 44.717 32.091 14.932 1.00 36.03 O HETATM 1122 O HOH A 205 39.972 17.367 -4.073 1.00 14.00 O HETATM 1123 O HOH A 206 55.282 22.577 -4.753 1.00 21.08 O HETATM 1124 O HOH A 207 62.400 35.386 1.758 1.00 21.87 O HETATM 1125 O HOH A 208 41.994 27.302 24.051 1.00 38.89 O HETATM 1126 O HOH A 209 34.846 25.908 2.384 1.00 30.59 O HETATM 1127 O HOH A 210 58.784 16.908 16.892 1.00 15.34 O HETATM 1128 O HOH A 211 46.713 31.055 -1.619 1.00 13.58 O HETATM 1129 O HOH A 212 45.042 39.396 -2.962 1.00 26.73 O HETATM 1130 O HOH A 213 61.827 26.778 12.735 1.00 27.92 O HETATM 1131 O HOH A 214 56.280 36.086 -2.114 1.00 22.81 O HETATM 1132 O HOH A 215 53.835 11.622 14.377 1.00 25.59 O HETATM 1133 O HOH A 216 38.121 38.197 11.178 1.00 38.94 O HETATM 1134 O HOH A 217 56.308 14.430 -2.380 1.00 28.86 O HETATM 1135 O HOH A 218 57.588 24.806 -14.085 1.00 23.39 O HETATM 1136 O HOH A 219 51.371 17.510 27.765 1.00 25.96 O HETATM 1137 O HOH A 220 39.655 20.751 23.504 1.00 16.78 O HETATM 1138 O HOH A 221 47.997 31.391 -9.199 1.00 32.38 O HETATM 1139 O HOH A 222 55.097 12.295 16.748 1.00 24.32 O HETATM 1140 O HOH A 223 40.296 11.398 12.023 1.00 21.90 O HETATM 1141 O HOH A 224 45.769 40.906 -1.169 1.00 37.23 O HETATM 1142 O HOH A 225 37.348 14.287 18.155 1.00 33.65 O HETATM 1143 O HOH A 226 54.016 31.552 11.344 1.00 17.20 O HETATM 1144 O HOH A 227 50.932 23.759 -11.049 1.00 32.39 O HETATM 1145 O HOH A 228 59.633 22.622 0.724 1.00 21.02 O HETATM 1146 O HOH A 229 34.195 21.183 17.673 1.00 28.03 O HETATM 1147 O HOH A 230 48.656 12.904 21.913 1.00 23.77 O HETATM 1148 O HOH A 231 58.552 30.082 -3.779 1.00 24.35 O HETATM 1149 O HOH A 232 44.840 17.774 0.752 1.00 40.57 O HETATM 1150 O HOH A 233 42.226 39.152 1.279 1.00 30.28 O HETATM 1151 O HOH A 234 46.042 14.315 22.315 1.00 16.26 O HETATM 1152 O HOH A 235 41.865 10.586 0.945 1.00 34.99 O HETATM 1153 O HOH A 236 56.601 30.679 -6.520 1.00 29.70 O HETATM 1154 O HOH A 237 39.154 21.808 27.750 1.00 28.04 O HETATM 1155 O HOH A 238 44.912 13.554 16.965 1.00 21.85 O HETATM 1156 O HOH A 239 45.350 32.810 -0.001 1.00 12.02 O HETATM 1157 O HOH A 240 40.658 9.054 21.057 1.00 35.00 O HETATM 1158 O HOH A 241 54.939 29.284 -4.056 1.00 15.87 O HETATM 1159 O HOH A 242 51.657 33.079 12.990 1.00 48.34 O HETATM 1160 O HOH A 243 39.374 32.645 1.522 1.00 15.46 O HETATM 1161 O HOH A 244 62.756 24.770 16.167 1.00 31.81 O HETATM 1162 O HOH A 245 46.339 44.867 4.798 1.00 23.46 O HETATM 1163 O HOH A 246 41.284 14.778 26.969 1.00 18.08 O HETATM 1164 O HOH A 247 35.301 30.348 16.197 1.00 39.23 O HETATM 1165 O HOH A 248 55.754 39.533 1.061 1.00 26.63 O HETATM 1166 O HOH A 249 43.905 9.762 14.491 1.00 24.68 O HETATM 1167 O HOH A 250 58.918 21.462 20.296 1.00 34.45 O HETATM 1168 O HOH A 251 52.954 8.004 16.963 1.00 46.57 O HETATM 1169 O HOH A 252 48.809 42.125 12.949 1.00 33.07 O HETATM 1170 O HOH A 253 35.408 23.552 -1.320 1.00 21.17 O HETATM 1171 O HOH A 254 33.568 31.507 10.039 1.00 28.41 O HETATM 1172 O HOH A 255 62.152 30.404 -0.051 1.00 22.88 O HETATM 1173 O HOH A 256 39.529 24.782 -6.736 1.00 24.87 O HETATM 1174 O HOH A 257 44.342 24.382 28.569 1.00 21.78 O HETATM 1175 O HOH A 258 53.653 17.963 -6.894 1.00 32.66 O HETATM 1176 O HOH A 259 47.905 22.709 27.283 1.00 24.12 O HETATM 1177 O HOH A 260 46.096 14.916 -0.468 1.00 46.68 O HETATM 1178 O HOH A 261 53.335 16.020 0.233 1.00 18.94 O HETATM 1179 O HOH A 262 46.379 27.471 -7.344 1.00 27.10 O HETATM 1180 O HOH A 263 53.080 39.932 7.969 1.00 11.87 O HETATM 1181 O HOH A 264 39.053 11.862 9.383 1.00 27.89 O HETATM 1182 O HOH A 265 43.581 12.251 14.885 1.00 23.33 O HETATM 1183 O HOH A 266 37.031 27.220 0.283 1.00 25.43 O HETATM 1184 O HOH A 267 33.845 30.234 -0.562 1.00 39.39 O HETATM 1185 O HOH A 268 57.456 19.437 19.831 1.00 22.23 O HETATM 1186 O HOH A 269 38.803 31.094 -5.335 1.00 33.43 O HETATM 1187 O HOH A 270 37.026 25.070 -6.499 1.00 31.33 O HETATM 1188 O HOH A 271 50.571 26.808 21.651 0.50 18.90 O HETATM 1189 O HOH A 272 45.645 26.261 -12.038 1.00 34.19 O HETATM 1190 O HOH A 273 41.940 38.522 -1.976 1.00 42.34 O HETATM 1191 O HOH A 274 54.035 24.808 21.651 0.50 26.28 O HETATM 1192 O HOH A 275 54.664 7.637 12.035 1.00 47.68 O HETATM 1193 O HOH A 276 63.960 22.980 6.708 1.00 25.56 O HETATM 1194 O HOH A 277 35.197 14.096 16.698 1.00 41.00 O HETATM 1195 O HOH A 278 58.291 15.932 -4.711 1.00 26.33 O HETATM 1196 O HOH A 279 45.764 42.663 12.270 1.00 18.68 O HETATM 1197 O HOH A 280 38.536 12.189 20.120 1.00 27.83 O HETATM 1198 O HOH A 281 55.513 28.480 -7.128 1.00 22.23 O HETATM 1199 O HOH A 282 53.017 19.066 -14.976 1.00 41.06 O HETATM 1200 O HOH A 283 53.849 41.743 1.319 1.00 40.07 O HETATM 1201 O HOH A 284 36.773 13.065 2.023 1.00 18.82 O HETATM 1202 O HOH A 285 36.530 24.936 5.678 1.00 24.50 O HETATM 1203 O HOH A 286 62.447 31.936 9.831 1.00 40.36 O HETATM 1204 O HOH A 287 45.127 13.130 5.230 1.00 21.80 O HETATM 1205 O HOH A 288 47.777 37.172 -5.895 1.00 18.13 O HETATM 1206 O HOH A 289 63.059 24.151 11.141 1.00 21.27 O HETATM 1207 O HOH A 290 55.802 40.070 3.988 1.00 17.15 O HETATM 1208 O HOH A 291 53.486 22.413 24.732 1.00 15.81 O HETATM 1209 O HOH A 292 61.583 20.920 18.937 1.00 36.13 O HETATM 1210 O HOH A 293 53.052 28.148 12.113 1.00 16.55 O HETATM 1211 O HOH A 294 43.249 26.457 27.299 1.00 29.73 O HETATM 1212 O HOH A 295 47.962 6.890 17.412 1.00 26.44 O HETATM 1213 O HOH A 296 43.183 34.595 12.658 1.00 24.67 O HETATM 1214 O HOH A 297 40.594 40.947 11.425 1.00 41.72 O HETATM 1215 O HOH A 298 56.555 23.887 19.983 1.00 30.98 O HETATM 1216 O HOH A 299 42.325 33.476 16.402 1.00 37.61 O HETATM 1217 O HOH A 300 62.524 34.763 11.041 1.00 25.25 O HETATM 1218 O HOH A 301 39.310 39.001 4.172 1.00 29.75 O HETATM 1219 O HOH A 302 61.162 12.966 8.730 1.00 33.55 O HETATM 1220 O HOH A 303 44.457 11.464 25.486 1.00 30.65 O HETATM 1221 O HOH A 304 36.827 33.659 3.349 1.00 30.51 O HETATM 1222 O HOH A 305 49.670 37.450 -10.658 1.00 41.09 O HETATM 1223 O HOH A 306 59.678 19.263 18.672 1.00 31.97 O HETATM 1224 O HOH A 307 37.209 30.715 2.133 1.00 25.61 O HETATM 1225 O HOH A 308 56.718 29.809 15.300 1.00 26.35 O HETATM 1226 O HOH A 309 37.696 26.854 27.183 1.00 39.88 O HETATM 1227 O HOH A 310 53.625 20.525 -7.794 1.00 32.16 O HETATM 1228 O HOH A 311 54.707 42.655 5.828 1.00 32.62 O HETATM 1229 O HOH A 312 49.523 22.338 24.970 1.00 18.10 O HETATM 1230 O HOH A 313 64.713 23.169 9.341 1.00 45.69 O HETATM 1231 O HOH A 314 46.024 13.223 2.878 1.00 28.90 O HETATM 1232 O HOH A 315 42.043 27.994 17.053 1.00 28.04 O HETATM 1233 O HOH A 316 58.482 16.988 21.237 1.00 40.65 O HETATM 1234 O HOH A 317 42.192 37.472 13.491 1.00 36.42 O HETATM 1235 O HOH A 318 33.568 14.359 14.244 1.00 40.89 O HETATM 1236 O HOH A 319 53.856 44.905 6.162 1.00 37.80 O HETATM 1237 O HOH A 320 38.163 34.576 0.037 1.00 29.66 O HETATM 1238 O HOH A 321 56.214 23.604 -7.339 1.00 28.58 O HETATM 1239 O HOH A 322 51.582 20.717 25.361 1.00 14.33 O HETATM 1240 O HOH A 323 33.941 18.474 18.593 1.00 36.15 O HETATM 1241 O HOH A 324 35.166 32.216 1.460 1.00 45.14 O HETATM 1242 O HOH A 325 54.846 43.634 8.673 1.00 48.32 O HETATM 1243 O HOH A 326 29.880 23.104 17.493 1.00 42.52 O HETATM 1244 O HOH A 327 56.539 10.345 17.846 1.00 40.44 O HETATM 1245 O HOH A 328 43.056 35.716 -6.513 1.00 41.19 O HETATM 1246 O HOH A 329 32.870 17.289 16.932 1.00 34.25 O HETATM 1247 O HOH A 330 43.176 11.149 28.043 1.00 43.72 O HETATM 1248 O HOH A 331 46.593 36.468 -8.605 1.00 32.69 O HETATM 1249 O HOH A 332 34.133 28.615 4.324 1.00 40.60 O HETATM 1250 O HOH A 333 42.376 35.295 -8.570 1.00 50.81 O END