USER MOD reduce.3.24.130724 H: found=0, std=0, add=1080, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTEIN BINDING 08-JUN-18 6A1U TITLE CHARCOT-LEYDEN CRYSTAL PROTEIN/GALECTIN-10 VARIANT E33D 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 6A1U 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. 1.62 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) : 1.62 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.56 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.390 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 24520 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.173 REMARK 3 R VALUE (WORKING SET) : 0.171 REMARK 3 FREE R VALUE : 0.193 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.160 REMARK 3 FREE R VALUE TEST SET COUNT : 2000 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) : 0.130 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.170 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 20.65 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 6A1U 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_1300008033. 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 : 24648 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.620 REMARK 200 RESOLUTION RANGE LOW (A) : 19.561 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 : 24.4000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.62 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.65 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 (%): 56.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.80 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 172.90267 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 86.45133 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 129.67700 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 43.22567 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 216.12833 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 172.90267 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 86.45133 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 43.22567 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 129.67700 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 216.12833 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 1770 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 11920 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -3.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 350 BIOMT1 2 0.500000 -0.866025 0.000000 48.77400 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 84.47905 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 43.22567 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 234 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 313 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 465 LEU A 140 REMARK 465 LYS A 141 REMARK 465 ARG A 142 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 LYS A 134 CG CD CE NZ REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 60 -70.44 -120.18 REMARK 500 LYS A 73 -146.30 -99.27 REMARK 500 ARG A 128 -148.66 80.44 REMARK 500 REMARK 500 REMARK: NULL DBREF 6A1U A 1 142 UNP Q05315 LEG10_HUMAN 1 142 SEQADV 6A1U GLY A -2 UNP Q05315 EXPRESSION TAG SEQADV 6A1U SER A -1 UNP Q05315 EXPRESSION TAG SEQADV 6A1U HIS A 0 UNP Q05315 EXPRESSION TAG SEQADV 6A1U ASP A 33 UNP Q05315 GLU 33 ENGINEERED MUTATION SEQRES 1 A 145 GLY SER HIS MET SER LEU LEU PRO VAL PRO TYR THR GLU SEQRES 2 A 145 ALA ALA SER LEU SER THR GLY SER THR VAL THR ILE LYS SEQRES 3 A 145 GLY ARG PRO LEU ALA CYS PHE LEU ASN ASP PRO TYR LEU SEQRES 4 A 145 GLN VAL ASP PHE HIS THR GLU MET LYS GLU GLU SER ASP SEQRES 5 A 145 ILE VAL PHE HIS PHE GLN VAL CYS PHE GLY ARG ARG VAL SEQRES 6 A 145 VAL MET ASN SER ARG GLU TYR GLY ALA TRP LYS GLN GLN SEQRES 7 A 145 VAL GLU SER LYS ASN MET PRO PHE GLN ASP GLY GLN GLU SEQRES 8 A 145 PHE GLU LEU SER ILE SER VAL LEU PRO ASP LYS TYR GLN SEQRES 9 A 145 VAL MET VAL ASN GLY GLN SER SER TYR THR PHE ASP HIS SEQRES 10 A 145 ARG ILE LYS PRO GLU ALA VAL LYS MET VAL GLN VAL TRP SEQRES 11 A 145 ARG ASP ILE SER LEU THR LYS PHE ASN VAL SER TYR LEU SEQRES 12 A 145 LYS ARG FORMUL 2 HOH *169(H2 O) HELIX 1 AA1 CYS A 29 ASP 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 94 O GLN A 101 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 -0.65 CRYST1 48.774 48.774 259.354 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 0.020503 0.011837 0.000000 0.00000 SCALE2 0.000000 0.023675 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003856 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= 0.55 K(o=1.1,f=-2.7!) USER MOD Set 1.2: A 108 SER OG : rot 120:sc= 0.507 USER MOD Set 2.1: A 37 GLN : amide:sc= 0.835 K(o=2.2,f=-5.5!) USER MOD Set 2.2: A 53 HIS : no HE2:sc= 0.0337 K(o=2.2,f=0.51!) USER MOD Set 2.3: A 55 GLN : amide:sc= 1.38 K(o=2.2,f=1.2) USER MOD Set 3.1: A 41 HIS : +bothHN:sc= 1.21 K(o=2.1,f=-4.2!) USER MOD Set 3.2: A 48 SER OG : rot -83:sc= 0.912 USER MOD Set 3.3: A 123 MET CE :methyl -175:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 THR OG1 : rot 134:sc= 1.43 USER MOD Set 4.2: A 94 SER OG : rot 84:sc= 1.3 USER MOD Set 5.1: A 9 THR OG1 : rot 116:sc= 1.47 USER MOD Set 5.2: A 125 GLN : amide:sc= 2.2 K(o=3.7,f=0.28!) USER MOD Single : A 8 TYR OH : rot -172:sc= 2.35 USER MOD Single : A 13 SER OG : rot -55:sc= 1.27 USER MOD Single : A 15 SER OG : rot 109:sc= 0.0117 USER MOD Single : A 16 THR OG1 : rot 177:sc= 2.82 USER MOD Single : A 18 SER OG : rot -99:sc= 1.49 USER MOD Single : A 21 THR OG1 : rot -123:sc= 2.12 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0182 K(o=-0.018,f=-1.3!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0.551 USER MOD Single : A 42 THR OG1 : rot 141:sc= 0.893 USER MOD Single : A 44 MET CE :methyl -162:sc= -0.0914 (180deg=-0.468) USER MOD Single : A 45 LYS NZ :NH3+ -105:sc= 1.34 (180deg=-0.511) USER MOD Single : A 57 CYS SG : rot 180:sc= -0.229 USER MOD Single : A 64 MET CE :methyl -170:sc= -0.0045 (180deg=-0.106) USER MOD Single : A 65 ASN : amide:sc= 1.67 K(o=1.7,f=-8.1!) USER MOD Single : A 66 SER OG : rot 145:sc= 1.08 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.139 X(o=-0.14,f=0.31) USER MOD Single : A 75 GLN : amide:sc= 2.09 X(o=2.1,f=2) USER MOD Single : A 78 SER OG : rot -139:sc= 0.155 USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= -0.173 (180deg=-0.618) USER MOD Single : A 80 ASN : amide:sc= 1.68 K(o=1.7,f=-0.075) USER MOD Single : A 81 MET CE :methyl 146:sc= -0.0625 (180deg=-0.3) USER MOD Single : A 84 GLN : amide:sc= 0.345 X(o=0.35,f=-0.15) USER MOD Single : A 87 GLN : amide:sc= 0.969 K(o=0.97,f=-0.043) USER MOD Single : A 92 SER OG : rot 112:sc= 0.204 USER MOD Single : A 99 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0.307) USER MOD Single : A 100 TYR OH : rot 30:sc= 0.973 USER MOD Single : A 103 MET CE :methyl -161:sc= -0.0888 (180deg=-0.425) USER MOD Single : A 105 ASN : amide:sc= 1.01 K(o=1,f=-3.5!) USER MOD Single : A 107 GLN : amide:sc= 0.583 X(o=0.58,f=0.64) USER MOD Single : A 109 SER OG : rot 64:sc= 0.469 USER MOD Single : A 110 TYR OH : rot 15:sc= 0.94 USER MOD Single : A 111 THR OG1 : rot -172:sc= 0.896 USER MOD Single : A 114 HIS : no HD1:sc= 0.0514 K(o=0.051,f=-3.6!) USER MOD Single : A 117 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.0692) USER MOD Single : A 122 LYS NZ :NH3+ -157:sc= 0.0393 (180deg=0.00196) USER MOD Single : A 131 SER OG : rot 98:sc= 1.87 USER MOD Single : A 133 THR OG1 : rot -105:sc= 0.995 USER MOD Single : A 136 ASN : amide:sc= 1.31 K(o=1.3,f=-0.93) USER MOD Single : A 138 SER OG : rot 156:sc= 0.654 USER MOD Single : A 139 TYR OH : rot -174:sc= 0.0324 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 58.260 15.289 18.755 1.00 44.64 N ATOM 2 CA SER A 2 58.744 14.060 18.138 1.00 43.35 C ATOM 3 C SER A 2 59.962 14.343 17.271 1.00 38.54 C ATOM 4 O SER A 2 60.861 15.081 17.673 1.00 49.42 O ATOM 5 CB SER A 2 57.644 13.396 17.306 1.00 33.31 C ATOM 0 HA SER A 2 59.001 13.449 18.846 1.00 43.35 H new ATOM 6 N LEU A 3 59.982 13.765 16.069 1.00 38.81 N ATOM 7 CA LEU A 3 61.207 13.779 15.278 1.00 46.38 C ATOM 8 C LEU A 3 61.474 15.151 14.670 1.00 34.67 C ATOM 9 O LEU A 3 62.621 15.612 14.668 1.00 39.57 O ATOM 10 CB LEU A 3 61.146 12.698 14.197 1.00 45.64 C ATOM 11 CG LEU A 3 61.514 11.296 14.696 1.00 46.84 C ATOM 12 CD1 LEU A 3 61.288 10.247 13.617 1.00 50.50 C ATOM 13 CD2 LEU A 3 62.956 11.259 15.192 1.00 50.46 C ATOM 0 H LEU A 3 59.313 13.369 15.702 1.00 38.81 H new ATOM 0 HA LEU A 3 61.950 13.585 15.871 1.00 46.38 H new ATOM 0 HB2 LEU A 3 60.250 12.674 13.826 1.00 45.64 H new ATOM 0 HB3 LEU A 3 61.746 12.942 13.475 1.00 45.64 H new ATOM 0 HG LEU A 3 60.929 11.085 15.441 1.00 46.84 H new ATOM 0 HD11 LEU A 3 61.529 9.372 13.960 1.00 50.50 H new ATOM 0 HD12 LEU A 3 60.353 10.246 13.357 1.00 50.50 H new ATOM 0 HD13 LEU A 3 61.838 10.453 12.845 1.00 50.50 H new ATOM 0 HD21 LEU A 3 63.169 10.365 15.503 1.00 50.46 H new ATOM 0 HD22 LEU A 3 63.554 11.500 14.467 1.00 50.46 H new ATOM 0 HD23 LEU A 3 63.064 11.889 15.922 1.00 50.46 H new ATOM 14 N LEU A 4 60.362 15.877 14.120 1.00 27.80 N ATOM 15 CA LEU A 4 60.701 17.132 13.456 1.00 23.27 C ATOM 16 C LEU A 4 60.644 18.300 14.439 1.00 22.12 C ATOM 17 O LEU A 4 59.863 18.281 15.392 1.00 24.77 O ATOM 18 CB LEU A 4 59.752 17.392 12.288 1.00 22.58 C ATOM 19 CG LEU A 4 59.837 16.401 11.119 1.00 23.74 C ATOM 20 CD1 LEU A 4 58.716 16.643 10.115 1.00 21.87 C ATOM 21 CD2 LEU A 4 61.191 16.501 10.436 1.00 24.97 C ATOM 0 H LEU A 4 59.532 15.652 14.142 1.00 27.80 H new ATOM 0 HA LEU A 4 61.607 17.056 13.117 1.00 23.27 H new ATOM 0 HB2 LEU A 4 58.843 17.389 12.626 1.00 22.58 H new ATOM 0 HB3 LEU A 4 59.924 18.283 11.946 1.00 22.58 H new ATOM 0 HG LEU A 4 59.734 15.505 11.476 1.00 23.74 H new ATOM 0 HD11 LEU A 4 58.790 16.006 9.387 1.00 21.87 H new ATOM 0 HD12 LEU A 4 57.858 16.532 10.554 1.00 21.87 H new ATOM 0 HD13 LEU A 4 58.785 17.545 9.764 1.00 21.87 H new ATOM 0 HD21 LEU A 4 61.230 15.870 9.700 1.00 24.97 H new ATOM 0 HD22 LEU A 4 61.317 17.401 10.096 1.00 24.97 H new ATOM 0 HD23 LEU A 4 61.892 16.296 11.075 1.00 24.97 H new ATOM 22 N PRO A 5 61.473 19.326 14.259 1.00 20.14 N ATOM 23 CA PRO A 5 61.418 20.475 15.172 1.00 22.71 C ATOM 24 C PRO A 5 60.107 21.235 15.033 1.00 20.52 C ATOM 25 O PRO A 5 59.550 21.346 13.941 1.00 23.60 O ATOM 26 CB PRO A 5 62.615 21.332 14.742 1.00 30.27 C ATOM 27 CG PRO A 5 62.927 20.887 13.337 1.00 28.01 C ATOM 28 CD PRO A 5 62.580 19.429 13.292 1.00 28.61 C ATOM 0 HA PRO A 5 61.459 20.216 16.106 1.00 22.71 H new ATOM 0 HB2 PRO A 5 62.399 22.277 14.771 1.00 30.27 H new ATOM 0 HB3 PRO A 5 63.374 21.196 15.330 1.00 30.27 H new ATOM 0 HG2 PRO A 5 62.409 21.389 12.689 1.00 28.01 H new ATOM 0 HG3 PRO A 5 63.863 21.030 13.125 1.00 28.01 H new ATOM 0 HD2 PRO A 5 62.308 19.151 12.403 1.00 28.61 H new ATOM 0 HD3 PRO A 5 63.332 18.872 13.546 1.00 28.61 H new ATOM 29 N VAL A 6 59.598 21.723 16.163 1.00 17.98 N ATOM 30 CA VAL A 6 58.390 22.549 16.195 1.00 16.29 C ATOM 31 C VAL A 6 58.699 23.784 17.035 1.00 19.07 C ATOM 32 O VAL A 6 59.165 23.639 18.175 1.00 22.05 O ATOM 33 CB VAL A 6 57.184 21.782 16.763 1.00 17.17 C ATOM 34 CG1 VAL A 6 55.956 22.692 16.817 1.00 18.94 C ATOM 35 CG2 VAL A 6 56.894 20.530 15.938 1.00 17.93 C ATOM 0 H VAL A 6 59.945 21.584 16.937 1.00 17.98 H new ATOM 0 HA VAL A 6 58.145 22.804 15.292 1.00 16.29 H new ATOM 0 HB VAL A 6 57.399 21.499 17.666 1.00 17.17 H new ATOM 0 HG11 VAL A 6 55.203 22.198 17.176 1.00 18.94 H new ATOM 0 HG12 VAL A 6 56.143 23.455 17.386 1.00 18.94 H new ATOM 0 HG13 VAL A 6 55.742 23.001 15.923 1.00 18.94 H new ATOM 0 HG21 VAL A 6 56.131 20.064 16.314 1.00 17.93 H new ATOM 0 HG22 VAL A 6 56.698 20.784 15.023 1.00 17.93 H new ATOM 0 HG23 VAL A 6 57.668 19.946 15.952 1.00 17.93 H new ATOM 36 N PRO A 7 58.465 25.014 16.538 1.00 18.92 N ATOM 37 CA PRO A 7 57.935 25.387 15.223 1.00 15.85 C ATOM 38 C PRO A 7 58.737 24.849 14.054 1.00 17.89 C ATOM 39 O PRO A 7 59.968 24.797 14.085 1.00 20.06 O ATOM 40 CB PRO A 7 58.010 26.916 15.234 1.00 16.53 C ATOM 41 CG PRO A 7 57.895 27.271 16.684 1.00 19.26 C ATOM 42 CD PRO A 7 58.698 26.205 17.375 1.00 20.96 C ATOM 0 HA PRO A 7 57.047 25.019 15.097 1.00 15.85 H new ATOM 0 HB2 PRO A 7 58.844 27.234 14.855 1.00 16.53 H new ATOM 0 HB3 PRO A 7 57.293 27.311 14.713 1.00 16.53 H new ATOM 0 HG2 PRO A 7 58.248 28.156 16.863 1.00 19.26 H new ATOM 0 HG3 PRO A 7 56.971 27.269 16.979 1.00 19.26 H new ATOM 0 HD2 PRO A 7 59.639 26.435 17.417 1.00 20.96 H new ATOM 0 HD3 PRO A 7 58.399 26.066 18.287 1.00 20.96 H new ATOM 43 N TYR A 8 58.024 24.439 13.022 1.00 14.45 N ATOM 44 CA TYR A 8 58.627 23.850 11.840 1.00 16.43 C ATOM 45 C TYR A 8 58.438 24.804 10.676 1.00 14.91 C ATOM 46 O TYR A 8 57.313 25.217 10.401 1.00 14.92 O ATOM 47 CB TYR A 8 57.980 22.505 11.529 1.00 14.97 C ATOM 48 CG TYR A 8 58.574 21.826 10.329 1.00 15.57 C ATOM 49 CD1 TYR A 8 59.700 21.026 10.449 1.00 21.59 C ATOM 50 CD2 TYR A 8 58.018 22.004 9.070 1.00 16.70 C ATOM 51 CE1 TYR A 8 60.248 20.402 9.343 1.00 26.43 C ATOM 52 CE2 TYR A 8 58.563 21.390 7.960 1.00 19.59 C ATOM 53 CZ TYR A 8 59.671 20.590 8.103 1.00 26.61 C ATOM 54 OH TYR A 8 60.208 19.979 6.994 1.00 31.38 O ATOM 0 H TYR A 8 57.167 24.495 12.986 1.00 14.45 H new ATOM 0 HA TYR A 8 59.573 23.700 11.994 1.00 16.43 H new ATOM 0 HB2 TYR A 8 58.070 21.923 12.300 1.00 14.97 H new ATOM 0 HB3 TYR A 8 57.030 22.636 11.382 1.00 14.97 H new ATOM 0 HD1 TYR A 8 60.092 20.907 11.284 1.00 21.59 H new ATOM 0 HD2 TYR A 8 57.268 22.545 8.973 1.00 16.70 H new ATOM 0 HE1 TYR A 8 60.999 19.861 9.434 1.00 26.43 H new ATOM 0 HE2 TYR A 8 58.183 21.517 7.121 1.00 19.59 H new ATOM 0 HH TYR A 8 59.828 20.268 6.303 1.00 31.38 H new ATOM 55 N THR A 9 59.531 25.146 9.987 1.00 13.18 N ATOM 56 CA THR A 9 59.479 26.100 8.884 1.00 12.53 C ATOM 57 C THR A 9 60.138 25.481 7.661 1.00 16.70 C ATOM 58 O THR A 9 61.250 24.956 7.760 1.00 20.18 O ATOM 59 CB THR A 9 60.189 27.408 9.254 1.00 17.26 C ATOM 60 OG1 THR A 9 59.622 27.936 10.463 1.00 20.08 O ATOM 61 CG2 THR A 9 60.040 28.432 8.150 1.00 21.18 C ATOM 0 H THR A 9 60.316 24.832 10.147 1.00 13.18 H new ATOM 0 HA THR A 9 58.551 26.307 8.692 1.00 12.53 H new ATOM 0 HB THR A 9 61.132 27.219 9.381 1.00 17.26 H new ATOM 0 HG1 THR A 9 60.206 27.943 11.067 1.00 20.08 H new ATOM 0 HG21 THR A 9 60.495 29.250 8.404 1.00 21.18 H new ATOM 0 HG22 THR A 9 60.430 28.086 7.332 1.00 21.18 H new ATOM 0 HG23 THR A 9 59.099 28.618 8.005 1.00 21.18 H new ATOM 62 N GLU A 10 59.462 25.528 6.520 1.00 14.85 N ATOM 63 CA GLU A 10 60.039 24.972 5.298 1.00 13.61 C ATOM 64 C GLU A 10 59.708 25.895 4.136 1.00 17.62 C ATOM 65 O GLU A 10 58.564 26.333 3.999 1.00 17.14 O ATOM 66 CB GLU A 10 59.516 23.552 5.024 1.00 16.74 C ATOM 67 CG GLU A 10 60.136 22.864 3.793 1.00 23.98 C ATOM 68 CD GLU A 10 59.751 21.387 3.643 1.00 21.53 C ATOM 69 OE1 GLU A 10 59.892 20.607 4.613 1.00 24.47 O ATOM 70 OE2 GLU A 10 59.307 21.001 2.535 1.00 26.07 O ATOM 0 H GLU A 10 58.679 25.872 6.429 1.00 14.85 H new ATOM 0 HA GLU A 10 61.001 24.907 5.405 1.00 13.61 H new ATOM 0 HB2 GLU A 10 59.684 23.002 5.805 1.00 16.74 H new ATOM 0 HB3 GLU A 10 58.554 23.592 4.907 1.00 16.74 H new ATOM 0 HG2 GLU A 10 59.863 23.342 2.995 1.00 23.98 H new ATOM 0 HG3 GLU A 10 61.102 22.933 3.848 1.00 23.98 H new ATOM 71 N ALA A 11 60.708 26.208 3.311 1.00 16.93 N ATOM 72 CA ALA A 11 60.417 26.929 2.079 1.00 15.35 C ATOM 73 C ALA A 11 59.517 26.076 1.195 1.00 14.99 C ATOM 74 O ALA A 11 59.596 24.847 1.196 1.00 17.35 O ATOM 75 CB ALA A 11 61.711 27.282 1.333 1.00 17.19 C ATOM 0 H ALA A 11 61.536 26.018 3.442 1.00 16.93 H new ATOM 0 HA ALA A 11 59.963 27.757 2.301 1.00 15.35 H new ATOM 0 HB1 ALA A 11 61.494 27.761 0.518 1.00 17.19 H new ATOM 0 HB2 ALA A 11 62.268 27.841 1.897 1.00 17.19 H new ATOM 0 HB3 ALA A 11 62.190 26.468 1.112 1.00 17.19 H new ATOM 76 N ALA A 12 58.636 26.727 0.443 1.00 15.71 N ATOM 77 CA ALA A 12 57.641 25.970 -0.300 1.00 15.67 C ATOM 78 C ALA A 12 57.148 26.790 -1.479 1.00 18.25 C ATOM 79 O ALA A 12 57.131 28.022 -1.429 1.00 21.72 O ATOM 80 CB ALA A 12 56.452 25.569 0.584 1.00 20.42 C ATOM 0 H ALA A 12 58.597 27.581 0.351 1.00 15.71 H new ATOM 0 HA ALA A 12 58.064 25.156 -0.616 1.00 15.67 H new ATOM 0 HB1 ALA A 12 55.811 25.067 0.056 1.00 20.42 H new ATOM 0 HB2 ALA A 12 56.766 25.019 1.319 1.00 20.42 H new ATOM 0 HB3 ALA A 12 56.027 26.367 0.936 1.00 20.42 H new ATOM 81 N SER A 13 56.768 26.086 -2.542 1.00 18.09 N ATOM 82 CA SER A 13 56.037 26.655 -3.663 1.00 19.88 C ATOM 83 C SER A 13 54.783 25.825 -3.874 1.00 19.75 C ATOM 84 O SER A 13 54.821 24.594 -3.787 1.00 23.15 O ATOM 85 CB SER A 13 56.874 26.670 -4.956 1.00 20.53 C ATOM 86 OG SER A 13 58.006 27.504 -4.814 1.00 23.27 O ATOM 0 H SER A 13 56.933 25.247 -2.631 1.00 18.09 H new ATOM 0 HA SER A 13 55.818 27.577 -3.457 1.00 19.88 H new ATOM 0 HB2 SER A 13 57.157 25.768 -5.173 1.00 20.53 H new ATOM 0 HB3 SER A 13 56.329 26.982 -5.695 1.00 20.53 H new ATOM 0 HG SER A 13 57.760 28.273 -4.582 1.00 23.27 H new ATOM 87 N LEU A 14 53.674 26.501 -4.142 1.00 15.84 N ATOM 88 CA LEU A 14 52.386 25.855 -4.306 1.00 15.11 C ATOM 89 C LEU A 14 51.725 26.324 -5.592 1.00 18.63 C ATOM 90 O LEU A 14 51.889 27.469 -6.016 1.00 20.13 O ATOM 91 CB LEU A 14 51.455 26.155 -3.125 1.00 15.59 C ATOM 92 CG LEU A 14 51.992 25.799 -1.739 1.00 16.75 C ATOM 93 CD1 LEU A 14 51.003 26.262 -0.682 1.00 17.05 C ATOM 94 CD2 LEU A 14 52.241 24.307 -1.612 1.00 16.51 C ATOM 0 H LEU A 14 53.650 27.356 -4.234 1.00 15.84 H new ATOM 0 HA LEU A 14 52.541 24.898 -4.344 1.00 15.11 H new ATOM 0 HB2 LEU A 14 51.242 27.101 -3.136 1.00 15.59 H new ATOM 0 HB3 LEU A 14 50.623 25.676 -3.263 1.00 15.59 H new ATOM 0 HG LEU A 14 52.841 26.250 -1.610 1.00 16.75 H new ATOM 0 HD11 LEU A 14 51.342 26.037 0.199 1.00 17.05 H new ATOM 0 HD12 LEU A 14 50.885 27.223 -0.747 1.00 17.05 H new ATOM 0 HD13 LEU A 14 50.150 25.822 -0.822 1.00 17.05 H new ATOM 0 HD21 LEU A 14 52.580 24.110 -0.725 1.00 16.51 H new ATOM 0 HD22 LEU A 14 51.410 23.827 -1.754 1.00 16.51 H new ATOM 0 HD23 LEU A 14 52.892 24.030 -2.276 1.00 16.51 H new ATOM 95 N SER A 15 50.974 25.418 -6.206 1.00 20.59 N ATOM 96 CA SER A 15 50.096 25.758 -7.315 1.00 21.43 C ATOM 97 C SER A 15 48.956 24.748 -7.314 1.00 20.58 C ATOM 98 O SER A 15 48.937 23.818 -6.507 1.00 21.14 O ATOM 99 CB SER A 15 50.861 25.770 -8.642 1.00 26.01 C ATOM 100 OG SER A 15 51.481 24.521 -8.882 1.00 27.61 O ATOM 0 H SER A 15 50.960 24.586 -5.990 1.00 20.59 H new ATOM 0 HA SER A 15 49.739 26.654 -7.211 1.00 21.43 H new ATOM 0 HB2 SER A 15 50.252 25.977 -9.368 1.00 26.01 H new ATOM 0 HB3 SER A 15 51.532 26.470 -8.626 1.00 26.01 H new ATOM 0 HG SER A 15 51.079 24.123 -9.503 1.00 27.61 H new ATOM 101 N THR A 16 47.996 24.933 -8.221 1.00 20.65 N ATOM 102 CA THR A 16 46.900 23.977 -8.331 1.00 18.58 C ATOM 103 C THR A 16 47.447 22.568 -8.507 1.00 20.95 C ATOM 104 O THR A 16 48.245 22.305 -9.411 1.00 25.03 O ATOM 105 CB THR A 16 45.989 24.333 -9.511 1.00 22.50 C ATOM 106 OG1 THR A 16 45.552 25.690 -9.394 1.00 27.93 O ATOM 107 CG2 THR A 16 44.774 23.420 -9.526 1.00 29.09 C ATOM 0 H THR A 16 47.962 25.593 -8.771 1.00 20.65 H new ATOM 0 HA THR A 16 46.379 24.016 -7.514 1.00 18.58 H new ATOM 0 HB THR A 16 46.489 24.220 -10.335 1.00 22.50 H new ATOM 0 HG1 THR A 16 45.090 25.895 -10.065 1.00 27.93 H new ATOM 0 HG21 THR A 16 44.204 23.652 -10.275 1.00 29.09 H new ATOM 0 HG22 THR A 16 45.063 22.498 -9.614 1.00 29.09 H new ATOM 0 HG23 THR A 16 44.279 23.526 -8.699 1.00 29.09 H new ATOM 108 N GLY A 17 47.029 21.666 -7.623 1.00 19.40 N ATOM 109 CA GLY A 17 47.516 20.305 -7.619 1.00 18.54 C ATOM 110 C GLY A 17 48.528 19.999 -6.533 1.00 20.07 C ATOM 111 O GLY A 17 48.812 18.820 -6.289 1.00 20.10 O ATOM 0 H GLY A 17 46.452 21.834 -7.008 1.00 19.40 H new ATOM 0 HA2 GLY A 17 46.761 19.704 -7.519 1.00 18.54 H new ATOM 0 HA3 GLY A 17 47.918 20.115 -8.481 1.00 18.54 H new ATOM 112 N SER A 18 49.092 21.019 -5.893 1.00 19.04 N ATOM 113 CA SER A 18 49.994 20.795 -4.774 1.00 19.53 C ATOM 114 C SER A 18 49.225 20.284 -3.562 1.00 18.62 C ATOM 115 O SER A 18 48.051 20.608 -3.354 1.00 17.52 O ATOM 116 CB SER A 18 50.727 22.083 -4.404 1.00 16.76 C ATOM 117 OG SER A 18 51.563 22.516 -5.461 1.00 18.21 O ATOM 0 H SER A 18 48.964 21.846 -6.092 1.00 19.04 H new ATOM 0 HA SER A 18 50.644 20.128 -5.045 1.00 19.53 H new ATOM 0 HB2 SER A 18 50.082 22.776 -4.193 1.00 16.76 H new ATOM 0 HB3 SER A 18 51.259 21.938 -3.606 1.00 16.76 H new ATOM 0 HG SER A 18 52.355 22.284 -5.305 1.00 18.21 H new ATOM 118 N THR A 19 49.898 19.466 -2.760 1.00 16.82 N ATOM 119 CA THR A 19 49.344 18.993 -1.500 1.00 16.77 C ATOM 120 C THR A 19 50.402 19.126 -0.415 1.00 17.66 C ATOM 121 O THR A 19 51.570 18.789 -0.634 1.00 19.32 O ATOM 122 CB THR A 19 48.859 17.540 -1.608 1.00 21.49 C ATOM 123 OG1 THR A 19 47.767 17.479 -2.534 1.00 27.83 O ATOM 124 CG2 THR A 19 48.364 17.041 -0.273 1.00 24.33 C ATOM 0 H THR A 19 50.687 19.171 -2.932 1.00 16.82 H new ATOM 0 HA THR A 19 48.572 19.535 -1.274 1.00 16.77 H new ATOM 0 HB THR A 19 49.601 16.991 -1.904 1.00 21.49 H new ATOM 0 HG1 THR A 19 47.881 16.834 -3.060 1.00 27.83 H new ATOM 0 HG21 THR A 19 48.063 16.123 -0.362 1.00 24.33 H new ATOM 0 HG22 THR A 19 49.084 17.083 0.376 1.00 24.33 H new ATOM 0 HG23 THR A 19 47.627 17.595 0.027 1.00 24.33 H new ATOM 125 N VAL A 20 49.994 19.641 0.742 1.00 14.56 N ATOM 126 CA VAL A 20 50.832 19.708 1.936 1.00 16.80 C ATOM 127 C VAL A 20 50.297 18.678 2.918 1.00 16.60 C ATOM 128 O VAL A 20 49.141 18.766 3.349 1.00 16.94 O ATOM 129 CB VAL A 20 50.825 21.113 2.557 1.00 13.87 C ATOM 130 CG1 VAL A 20 51.781 21.182 3.742 1.00 15.04 C ATOM 131 CG2 VAL A 20 51.170 22.169 1.507 1.00 19.08 C ATOM 0 H VAL A 20 49.207 19.968 0.857 1.00 14.56 H new ATOM 0 HA VAL A 20 51.755 19.518 1.705 1.00 16.80 H new ATOM 0 HB VAL A 20 49.931 21.299 2.884 1.00 13.87 H new ATOM 0 HG11 VAL A 20 51.763 22.075 4.121 1.00 15.04 H new ATOM 0 HG12 VAL A 20 51.508 20.540 4.416 1.00 15.04 H new ATOM 0 HG13 VAL A 20 52.681 20.975 3.445 1.00 15.04 H new ATOM 0 HG21 VAL A 20 51.161 23.048 1.917 1.00 19.08 H new ATOM 0 HG22 VAL A 20 52.052 21.990 1.146 1.00 19.08 H new ATOM 0 HG23 VAL A 20 50.516 22.140 0.791 1.00 19.08 H new ATOM 132 N THR A 21 51.125 17.699 3.269 1.00 15.78 N ATOM 133 CA THR A 21 50.719 16.625 4.162 1.00 16.19 C ATOM 134 C THR A 21 51.504 16.718 5.461 1.00 15.12 C ATOM 135 O THR A 21 52.732 16.837 5.445 1.00 16.89 O ATOM 136 CB THR A 21 50.929 15.255 3.516 1.00 20.22 C ATOM 137 OG1 THR A 21 50.269 15.230 2.246 1.00 28.56 O ATOM 138 CG2 THR A 21 50.334 14.164 4.394 1.00 22.17 C ATOM 0 H THR A 21 51.938 17.641 2.995 1.00 15.78 H new ATOM 0 HA THR A 21 49.772 16.723 4.347 1.00 16.19 H new ATOM 0 HB THR A 21 51.880 15.100 3.408 1.00 20.22 H new ATOM 0 HG1 THR A 21 49.722 14.593 2.227 1.00 28.56 H new ATOM 0 HG21 THR A 21 50.473 13.300 3.975 1.00 22.17 H new ATOM 0 HG22 THR A 21 50.766 14.175 5.262 1.00 22.17 H new ATOM 0 HG23 THR A 21 49.383 14.320 4.505 1.00 22.17 H new ATOM 139 N ILE A 22 50.789 16.658 6.577 1.00 14.32 N ATOM 140 CA ILE A 22 51.358 16.816 7.904 1.00 15.11 C ATOM 141 C ILE A 22 50.871 15.660 8.767 1.00 18.51 C ATOM 142 O ILE A 22 49.669 15.378 8.805 1.00 19.55 O ATOM 143 CB ILE A 22 50.925 18.166 8.507 1.00 16.44 C ATOM 144 CG1 ILE A 22 51.583 19.323 7.751 1.00 21.16 C ATOM 145 CG2 ILE A 22 51.163 18.210 9.988 1.00 23.50 C ATOM 146 CD1 ILE A 22 50.768 20.606 7.801 1.00 22.82 C ATOM 0 H ILE A 22 49.940 16.521 6.582 1.00 14.32 H new ATOM 0 HA ILE A 22 52.327 16.808 7.860 1.00 15.11 H new ATOM 0 HB ILE A 22 49.967 18.266 8.395 1.00 16.44 H new ATOM 0 HG12 ILE A 22 52.462 19.489 8.126 1.00 21.16 H new ATOM 0 HG13 ILE A 22 51.714 19.065 6.825 1.00 21.16 H new ATOM 0 HG21 ILE A 22 50.881 19.070 10.336 1.00 23.50 H new ATOM 0 HG22 ILE A 22 50.655 17.505 10.419 1.00 23.50 H new ATOM 0 HG23 ILE A 22 52.108 18.083 10.168 1.00 23.50 H new ATOM 0 HD11 ILE A 22 51.230 21.302 7.308 1.00 22.82 H new ATOM 0 HD12 ILE A 22 49.897 20.452 7.403 1.00 22.82 H new ATOM 0 HD13 ILE A 22 50.657 20.883 8.724 1.00 22.82 H new ATOM 147 N LYS A 23 51.789 14.993 9.461 1.00 13.95 N ATOM 148 CA LYS A 23 51.418 13.985 10.444 1.00 14.50 C ATOM 149 C LYS A 23 51.944 14.430 11.799 1.00 14.87 C ATOM 150 O LYS A 23 53.121 14.775 11.922 1.00 15.39 O ATOM 151 CB LYS A 23 51.972 12.609 10.078 1.00 17.01 C ATOM 152 CG LYS A 23 51.521 11.508 11.025 1.00 22.35 C ATOM 153 CD LYS A 23 51.420 10.149 10.330 1.00 32.89 C ATOM 154 CE LYS A 23 52.682 9.826 9.556 1.00 45.21 C ATOM 155 NZ LYS A 23 52.828 8.364 9.291 1.00 54.64 N ATOM 0 H LYS A 23 52.636 15.112 9.375 1.00 13.95 H new ATOM 0 HA LYS A 23 50.452 13.900 10.467 1.00 14.50 H new ATOM 0 HB2 LYS A 23 51.694 12.385 9.176 1.00 17.01 H new ATOM 0 HB3 LYS A 23 52.941 12.648 10.075 1.00 17.01 H new ATOM 0 HG2 LYS A 23 52.145 11.445 11.765 1.00 22.35 H new ATOM 0 HG3 LYS A 23 50.658 11.741 11.401 1.00 22.35 H new ATOM 0 HD2 LYS A 23 51.258 9.458 10.991 1.00 32.89 H new ATOM 0 HD3 LYS A 23 50.660 10.148 9.727 1.00 32.89 H new ATOM 0 HE2 LYS A 23 52.673 10.306 8.713 1.00 45.21 H new ATOM 0 HE3 LYS A 23 53.453 10.141 10.053 1.00 45.21 H new ATOM 0 HZ1 LYS A 23 53.579 8.218 8.836 1.00 54.64 H new ATOM 0 HZ2 LYS A 23 52.859 7.924 10.064 1.00 54.64 H new ATOM 0 HZ3 LYS A 23 52.133 8.078 8.815 1.00 54.64 H new ATOM 156 N GLY A 24 51.075 14.444 12.799 1.00 13.46 N ATOM 157 CA GLY A 24 51.504 14.875 14.111 1.00 13.85 C ATOM 158 C GLY A 24 50.532 14.453 15.192 1.00 14.68 C ATOM 159 O GLY A 24 49.583 13.705 14.949 1.00 15.88 O ATOM 0 H GLY A 24 50.249 14.212 12.739 1.00 13.46 H new ATOM 0 HA2 GLY A 24 52.380 14.504 14.302 1.00 13.85 H new ATOM 0 HA3 GLY A 24 51.597 15.841 14.119 1.00 13.85 H new ATOM 160 N ARG A 25 50.780 14.953 16.405 1.00 14.40 N ATOM 161 CA ARG A 25 49.957 14.576 17.544 1.00 14.06 C ATOM 162 C ARG A 25 49.899 15.752 18.508 1.00 14.86 C ATOM 163 O ARG A 25 50.928 16.408 18.725 1.00 14.10 O ATOM 164 CB ARG A 25 50.517 13.333 18.258 1.00 19.66 C ATOM 165 CG ARG A 25 49.607 12.824 19.375 1.00 22.97 C ATOM 166 CD ARG A 25 50.249 11.746 20.241 1.00 30.69 C ATOM 167 NE ARG A 25 50.825 10.666 19.447 1.00 35.67 N ATOM 168 CZ ARG A 25 50.295 9.448 19.349 1.00 43.35 C ATOM 169 NH1 ARG A 25 49.160 9.164 19.982 1.00 36.14 N ATOM 170 NH2 ARG A 25 50.888 8.517 18.607 1.00 43.84 N ATOM 0 H ARG A 25 51.414 15.506 16.584 1.00 14.40 H new ATOM 0 HA ARG A 25 49.067 14.352 17.230 1.00 14.06 H new ATOM 0 HB2 ARG A 25 50.649 12.625 17.608 1.00 19.66 H new ATOM 0 HB3 ARG A 25 51.388 13.544 18.629 1.00 19.66 H new ATOM 0 HG2 ARG A 25 49.350 13.571 19.938 1.00 22.97 H new ATOM 0 HG3 ARG A 25 48.793 12.471 18.983 1.00 22.97 H new ATOM 0 HD2 ARG A 25 50.942 12.146 20.790 1.00 30.69 H new ATOM 0 HD3 ARG A 25 49.584 11.381 20.845 1.00 30.69 H new ATOM 0 HE ARG A 25 51.552 10.826 19.016 1.00 35.67 H new ATOM 0 HH11 ARG A 25 48.769 9.767 20.454 1.00 36.14 H new ATOM 0 HH12 ARG A 25 48.818 8.378 19.919 1.00 36.14 H new ATOM 0 HH21 ARG A 25 51.616 8.700 18.188 1.00 43.84 H new ATOM 0 HH22 ARG A 25 50.543 7.732 18.546 1.00 43.84 H new ATOM 171 N PRO A 26 48.737 16.056 19.094 1.00 13.75 N ATOM 172 CA PRO A 26 48.697 17.142 20.084 1.00 13.48 C ATOM 173 C PRO A 26 49.549 16.797 21.292 1.00 12.75 C ATOM 174 O PRO A 26 49.681 15.630 21.665 1.00 16.15 O ATOM 175 CB PRO A 26 47.211 17.236 20.463 1.00 17.06 C ATOM 176 CG PRO A 26 46.482 16.538 19.356 1.00 16.85 C ATOM 177 CD PRO A 26 47.409 15.462 18.886 1.00 15.21 C ATOM 0 HA PRO A 26 49.047 17.979 19.742 1.00 13.48 H new ATOM 0 HB2 PRO A 26 47.039 16.812 21.318 1.00 17.06 H new ATOM 0 HB3 PRO A 26 46.927 18.160 20.542 1.00 17.06 H new ATOM 0 HG2 PRO A 26 45.644 16.165 19.670 1.00 16.85 H new ATOM 0 HG3 PRO A 26 46.267 17.153 18.637 1.00 16.85 H new ATOM 0 HD2 PRO A 26 47.298 14.644 19.395 1.00 15.21 H new ATOM 0 HD3 PRO A 26 47.257 15.239 17.954 1.00 15.21 H new ATOM 178 N LEU A 27 50.122 17.830 21.907 1.00 11.90 N ATOM 179 CA LEU A 27 50.969 17.657 23.087 1.00 12.68 C ATOM 180 C LEU A 27 50.176 17.578 24.376 1.00 16.11 C ATOM 181 O LEU A 27 50.774 17.349 25.437 1.00 19.34 O ATOM 182 CB LEU A 27 51.973 18.808 23.210 1.00 16.57 C ATOM 183 CG LEU A 27 53.008 18.921 22.099 1.00 17.44 C ATOM 184 CD1 LEU A 27 53.851 20.200 22.249 1.00 18.72 C ATOM 185 CD2 LEU A 27 53.875 17.672 22.082 1.00 19.70 C ATOM 0 H LEU A 27 50.032 18.647 21.654 1.00 11.90 H new ATOM 0 HA LEU A 27 51.430 16.813 22.959 1.00 12.68 H new ATOM 0 HB2 LEU A 27 51.478 19.641 23.251 1.00 16.57 H new ATOM 0 HB3 LEU A 27 52.441 18.715 24.054 1.00 16.57 H new ATOM 0 HG LEU A 27 52.550 18.989 21.246 1.00 17.44 H new ATOM 0 HD11 LEU A 27 54.500 20.246 21.530 1.00 18.72 H new ATOM 0 HD12 LEU A 27 53.271 20.976 22.210 1.00 18.72 H new ATOM 0 HD13 LEU A 27 54.314 20.185 23.101 1.00 18.72 H new ATOM 0 HD21 LEU A 27 54.534 17.745 21.374 1.00 19.70 H new ATOM 0 HD22 LEU A 27 54.327 17.580 22.935 1.00 19.70 H new ATOM 0 HD23 LEU A 27 53.318 16.893 21.926 1.00 19.70 H new ATOM 186 N ALA A 28 48.866 17.780 24.318 1.00 15.26 N ATOM 187 CA ALA A 28 48.045 17.785 25.515 1.00 16.41 C ATOM 188 C ALA A 28 46.688 17.189 25.182 1.00 17.43 C ATOM 189 O ALA A 28 46.255 17.187 24.026 1.00 14.89 O ATOM 190 CB ALA A 28 47.885 19.206 26.075 1.00 16.74 C ATOM 0 H ALA A 28 48.432 17.917 23.588 1.00 15.26 H new ATOM 0 HA ALA A 28 48.480 17.252 26.199 1.00 16.41 H new ATOM 0 HB1 ALA A 28 47.333 19.180 26.872 1.00 16.74 H new ATOM 0 HB2 ALA A 28 48.758 19.566 26.298 1.00 16.74 H new ATOM 0 HB3 ALA A 28 47.463 19.771 25.409 1.00 16.74 H new ATOM 191 N CYS A 29 46.018 16.676 26.213 1.00 16.43 N ATOM 192 CA CYS A 29 44.636 16.245 26.060 1.00 16.39 C ATOM 193 C CYS A 29 43.759 17.420 25.638 1.00 14.42 C ATOM 194 O CYS A 29 44.078 18.587 25.884 1.00 14.84 O ATOM 195 CB CYS A 29 44.107 15.660 27.374 1.00 17.99 C ATOM 196 SG CYS A 29 44.055 16.838 28.764 1.00 24.12 S ATOM 0 H CYS A 29 46.345 16.571 27.002 1.00 16.43 H new ATOM 0 HA CYS A 29 44.607 15.560 25.374 1.00 16.39 H new ATOM 0 HB2 CYS A 29 43.213 15.316 27.224 1.00 17.99 H new ATOM 0 HB3 CYS A 29 44.663 14.906 27.625 1.00 17.99 H new ATOM 0 HG CYS A 29 43.627 16.287 29.740 1.00 24.12 H new ATOM 197 N PHE A 30 42.621 17.097 25.023 1.00 14.11 N ATOM 198 CA PHE A 30 41.754 18.148 24.499 1.00 13.58 C ATOM 199 C PHE A 30 41.207 19.044 25.608 1.00 13.76 C ATOM 200 O PHE A 30 40.946 20.227 25.366 1.00 13.54 O ATOM 201 CB PHE A 30 40.595 17.543 23.696 1.00 14.49 C ATOM 202 CG PHE A 30 40.963 17.115 22.294 1.00 14.99 C ATOM 203 CD1 PHE A 30 42.289 16.948 21.908 1.00 15.42 C ATOM 204 CD2 PHE A 30 39.967 16.874 21.370 1.00 16.85 C ATOM 205 CE1 PHE A 30 42.607 16.535 20.614 1.00 14.58 C ATOM 206 CE2 PHE A 30 40.276 16.465 20.078 1.00 15.44 C ATOM 207 CZ PHE A 30 41.591 16.298 19.704 1.00 15.95 C ATOM 0 H PHE A 30 42.339 16.294 24.901 1.00 14.11 H new ATOM 0 HA PHE A 30 42.296 18.699 23.913 1.00 13.58 H new ATOM 0 HB2 PHE A 30 40.249 16.775 24.177 1.00 14.49 H new ATOM 0 HB3 PHE A 30 39.877 18.193 23.646 1.00 14.49 H new ATOM 0 HD1 PHE A 30 42.970 17.113 22.519 1.00 15.42 H new ATOM 0 HD2 PHE A 30 39.077 16.987 21.615 1.00 16.85 H new ATOM 0 HE1 PHE A 30 43.495 16.420 20.364 1.00 14.58 H new ATOM 0 HE2 PHE A 30 39.595 16.304 19.466 1.00 15.44 H new ATOM 0 HZ PHE A 30 41.797 16.026 18.839 1.00 15.95 H new ATOM 208 N LEU A 31 41.024 18.504 26.827 1.00 13.86 N ATOM 209 CA LEU A 31 40.542 19.320 27.934 1.00 13.99 C ATOM 210 C LEU A 31 41.451 20.523 28.179 1.00 12.55 C ATOM 211 O LEU A 31 40.989 21.558 28.672 1.00 13.68 O ATOM 212 CB LEU A 31 40.419 18.459 29.201 1.00 15.07 C ATOM 213 CG LEU A 31 39.720 19.104 30.403 1.00 15.52 C ATOM 214 CD1 LEU A 31 38.268 19.395 30.091 1.00 19.96 C ATOM 215 CD2 LEU A 31 39.848 18.229 31.632 1.00 16.76 C ATOM 0 H LEU A 31 41.173 17.680 27.022 1.00 13.86 H new ATOM 0 HA LEU A 31 39.666 19.665 27.701 1.00 13.99 H new ATOM 0 HB2 LEU A 31 39.940 17.648 28.971 1.00 15.07 H new ATOM 0 HB3 LEU A 31 41.311 18.194 29.475 1.00 15.07 H new ATOM 0 HG LEU A 31 40.159 19.949 30.590 1.00 15.52 H new ATOM 0 HD11 LEU A 31 37.846 19.802 30.864 1.00 19.96 H new ATOM 0 HD12 LEU A 31 38.214 20.002 29.337 1.00 19.96 H new ATOM 0 HD13 LEU A 31 37.812 18.567 29.872 1.00 19.96 H new ATOM 0 HD21 LEU A 31 39.400 18.654 32.380 1.00 16.76 H new ATOM 0 HD22 LEU A 31 39.440 17.366 31.459 1.00 16.76 H new ATOM 0 HD23 LEU A 31 40.786 18.106 31.845 1.00 16.76 H new ATOM 216 N ASN A 32 42.731 20.424 27.815 1.00 12.36 N ATOM 217 CA ASN A 32 43.660 21.533 27.999 1.00 13.24 C ATOM 218 C ASN A 32 43.684 22.497 26.813 1.00 12.76 C ATOM 219 O ASN A 32 44.483 23.439 26.816 1.00 12.45 O ATOM 220 CB ASN A 32 45.066 20.992 28.281 1.00 12.84 C ATOM 221 CG ASN A 32 45.188 20.424 29.687 1.00 18.88 C ATOM 222 OD1 ASN A 32 44.260 20.539 30.476 1.00 19.21 O ATOM 223 ND2 ASN A 32 46.335 19.833 30.011 1.00 21.28 N ATOM 0 H ASN A 32 43.078 19.722 27.460 1.00 12.36 H new ATOM 0 HA ASN A 32 43.346 22.045 28.761 1.00 13.24 H new ATOM 0 HB2 ASN A 32 45.281 20.302 27.635 1.00 12.84 H new ATOM 0 HB3 ASN A 32 45.715 21.703 28.163 1.00 12.84 H new ATOM 0 HD21 ASN A 32 46.446 19.514 30.802 1.00 21.28 H new ATOM 0 HD22 ASN A 32 46.966 19.770 29.430 1.00 21.28 H new ATOM 224 N ASP A 33 42.816 22.307 25.817 1.00 12.76 N ATOM 225 CA ASP A 33 42.712 23.188 24.656 1.00 13.26 C ATOM 226 C ASP A 33 44.045 23.438 23.942 1.00 12.25 C ATOM 227 O ASP A 33 44.418 24.594 23.712 1.00 13.34 O ATOM 228 CB ASP A 33 42.090 24.525 25.042 1.00 14.30 C ATOM 229 CG ASP A 33 40.720 24.393 25.682 1.00 18.74 C ATOM 230 OD1 ASP A 33 39.984 23.452 25.343 1.00 17.09 O ATOM 231 OD2 ASP A 33 40.382 25.253 26.530 1.00 22.56 O ATOM 0 H ASP A 33 42.262 21.650 25.799 1.00 12.76 H new ATOM 0 HA ASP A 33 42.139 22.718 24.030 1.00 13.26 H new ATOM 0 HB2 ASP A 33 42.683 24.984 25.657 1.00 14.30 H new ATOM 0 HB3 ASP A 33 42.017 25.080 24.250 1.00 14.30 H new ATOM 232 N PRO A 34 44.767 22.392 23.550 1.00 11.43 N ATOM 233 CA PRO A 34 45.966 22.614 22.733 1.00 11.92 C ATOM 234 C PRO A 34 45.586 23.178 21.370 1.00 12.56 C ATOM 235 O PRO A 34 44.470 22.983 20.883 1.00 12.32 O ATOM 236 CB PRO A 34 46.577 21.217 22.606 1.00 13.93 C ATOM 237 CG PRO A 34 45.387 20.298 22.679 1.00 11.84 C ATOM 238 CD PRO A 34 44.413 20.962 23.628 1.00 12.08 C ATOM 0 HA PRO A 34 46.582 23.255 23.122 1.00 11.92 H new ATOM 0 HB2 PRO A 34 47.057 21.113 21.769 1.00 13.93 H new ATOM 0 HB3 PRO A 34 47.209 21.039 23.320 1.00 13.93 H new ATOM 0 HG2 PRO A 34 44.989 20.173 21.803 1.00 11.84 H new ATOM 0 HG3 PRO A 34 45.644 19.420 23.002 1.00 11.84 H new ATOM 0 HD2 PRO A 34 43.494 20.808 23.360 1.00 12.08 H new ATOM 0 HD3 PRO A 34 44.507 20.621 24.531 1.00 12.08 H new ATOM 239 N TYR A 35 46.526 23.898 20.764 1.00 9.94 N ATOM 240 CA TYR A 35 46.356 24.446 19.422 1.00 11.42 C ATOM 241 C TYR A 35 47.252 23.745 18.411 1.00 10.89 C ATOM 242 O TYR A 35 48.283 23.162 18.752 1.00 10.76 O ATOM 243 CB TYR A 35 46.692 25.936 19.377 1.00 11.07 C ATOM 244 CG TYR A 35 45.685 26.854 20.005 1.00 17.13 C ATOM 245 CD1 TYR A 35 45.799 27.212 21.337 1.00 21.13 C ATOM 246 CD2 TYR A 35 44.651 27.405 19.258 1.00 20.47 C ATOM 247 CE1 TYR A 35 44.891 28.073 21.929 1.00 26.87 C ATOM 248 CE2 TYR A 35 43.736 28.277 19.836 1.00 22.84 C ATOM 249 CZ TYR A 35 43.865 28.602 21.175 1.00 23.45 C ATOM 250 OH TYR A 35 42.970 29.461 21.777 1.00 32.08 O ATOM 0 H TYR A 35 47.285 24.083 21.123 1.00 9.94 H new ATOM 0 HA TYR A 35 45.424 24.306 19.194 1.00 11.42 H new ATOM 0 HB2 TYR A 35 47.546 26.071 19.817 1.00 11.07 H new ATOM 0 HB3 TYR A 35 46.807 26.196 18.450 1.00 11.07 H new ATOM 0 HD1 TYR A 35 46.499 26.868 21.844 1.00 21.13 H new ATOM 0 HD2 TYR A 35 44.570 27.187 18.358 1.00 20.47 H new ATOM 0 HE1 TYR A 35 44.972 28.293 22.829 1.00 26.87 H new ATOM 0 HE2 TYR A 35 43.045 28.638 19.329 1.00 22.84 H new ATOM 0 HH TYR A 35 42.399 29.711 21.214 1.00 32.08 H new ATOM 251 N LEU A 36 46.840 23.832 17.146 1.00 10.65 N ATOM 252 CA LEU A 36 47.689 23.538 16.002 1.00 11.89 C ATOM 253 C LEU A 36 47.542 24.692 15.030 1.00 10.76 C ATOM 254 O LEU A 36 46.431 25.170 14.811 1.00 12.81 O ATOM 255 CB LEU A 36 47.296 22.228 15.326 1.00 10.41 C ATOM 256 CG LEU A 36 47.749 22.077 13.875 1.00 12.02 C ATOM 257 CD1 LEU A 36 49.272 21.894 13.796 1.00 14.27 C ATOM 258 CD2 LEU A 36 47.030 20.913 13.219 1.00 16.21 C ATOM 0 H LEU A 36 46.042 24.069 16.929 1.00 10.65 H new ATOM 0 HA LEU A 36 48.608 23.435 16.294 1.00 11.89 H new ATOM 0 HB2 LEU A 36 47.663 21.493 15.842 1.00 10.41 H new ATOM 0 HB3 LEU A 36 46.330 22.142 15.358 1.00 10.41 H new ATOM 0 HG LEU A 36 47.521 22.888 13.395 1.00 12.02 H new ATOM 0 HD11 LEU A 36 49.539 21.800 12.868 1.00 14.27 H new ATOM 0 HD12 LEU A 36 49.712 22.668 14.182 1.00 14.27 H new ATOM 0 HD13 LEU A 36 49.528 21.098 14.288 1.00 14.27 H new ATOM 0 HD21 LEU A 36 47.325 20.827 12.299 1.00 16.21 H new ATOM 0 HD22 LEU A 36 47.231 20.095 13.701 1.00 16.21 H new ATOM 0 HD23 LEU A 36 46.073 21.072 13.237 1.00 16.21 H new ATOM 259 N GLN A 37 48.652 25.168 14.476 1.00 11.40 N ATOM 260 CA GLN A 37 48.560 26.231 13.488 1.00 10.45 C ATOM 261 C GLN A 37 49.441 25.918 12.294 1.00 10.55 C ATOM 262 O GLN A 37 50.582 25.478 12.446 1.00 10.64 O ATOM 263 CB GLN A 37 48.954 27.576 14.092 1.00 10.51 C ATOM 264 CG GLN A 37 48.717 28.761 13.145 1.00 12.10 C ATOM 265 CD GLN A 37 48.627 30.069 13.909 1.00 12.19 C ATOM 266 OE1 GLN A 37 48.069 30.114 15.008 1.00 12.85 O ATOM 267 NE2 GLN A 37 49.163 31.141 13.335 1.00 13.39 N ATOM 0 H GLN A 37 49.448 24.896 14.653 1.00 11.40 H new ATOM 0 HA GLN A 37 47.637 26.288 13.194 1.00 10.45 H new ATOM 0 HB2 GLN A 37 48.449 27.717 14.908 1.00 10.51 H new ATOM 0 HB3 GLN A 37 49.892 27.550 14.339 1.00 10.51 H new ATOM 0 HG2 GLN A 37 49.439 28.811 12.499 1.00 12.10 H new ATOM 0 HG3 GLN A 37 47.898 28.619 12.645 1.00 12.10 H new ATOM 0 HE21 GLN A 37 49.544 31.072 12.567 1.00 13.39 H new ATOM 0 HE22 GLN A 37 49.128 31.903 13.731 1.00 13.39 H new ATOM 268 N VAL A 38 48.879 26.119 11.105 1.00 9.90 N ATOM 269 CA VAL A 38 49.585 25.994 9.832 1.00 8.72 C ATOM 270 C VAL A 38 49.398 27.304 9.088 1.00 9.93 C ATOM 271 O VAL A 38 48.260 27.725 8.843 1.00 11.51 O ATOM 272 CB VAL A 38 49.045 24.819 8.998 1.00 9.62 C ATOM 273 CG1 VAL A 38 49.780 24.727 7.641 1.00 13.33 C ATOM 274 CG2 VAL A 38 49.151 23.516 9.786 1.00 12.64 C ATOM 0 H VAL A 38 48.052 26.338 11.014 1.00 9.90 H new ATOM 0 HA VAL A 38 50.525 25.813 9.990 1.00 8.72 H new ATOM 0 HB VAL A 38 48.107 24.976 8.809 1.00 9.62 H new ATOM 0 HG11 VAL A 38 49.426 23.982 7.131 1.00 13.33 H new ATOM 0 HG12 VAL A 38 49.648 25.550 7.145 1.00 13.33 H new ATOM 0 HG13 VAL A 38 50.728 24.592 7.795 1.00 13.33 H new ATOM 0 HG21 VAL A 38 48.808 22.784 9.250 1.00 12.64 H new ATOM 0 HG22 VAL A 38 50.080 23.346 10.007 1.00 12.64 H new ATOM 0 HG23 VAL A 38 48.633 23.588 10.603 1.00 12.64 H new ATOM 275 N ASP A 39 50.504 27.944 8.710 1.00 8.84 N ATOM 276 CA ASP A 39 50.457 29.226 8.018 1.00 10.49 C ATOM 277 C ASP A 39 51.230 29.131 6.716 1.00 12.10 C ATOM 278 O ASP A 39 52.402 28.735 6.724 1.00 11.85 O ATOM 279 CB ASP A 39 51.069 30.328 8.881 1.00 10.52 C ATOM 280 CG ASP A 39 50.272 30.598 10.135 1.00 13.59 C ATOM 281 OD1 ASP A 39 49.039 30.800 10.037 1.00 12.36 O ATOM 282 OD2 ASP A 39 50.888 30.622 11.224 1.00 13.87 O ATOM 0 H ASP A 39 51.299 27.646 8.848 1.00 8.84 H new ATOM 0 HA ASP A 39 49.529 29.443 7.839 1.00 10.49 H new ATOM 0 HB2 ASP A 39 51.974 30.077 9.125 1.00 10.52 H new ATOM 0 HB3 ASP A 39 51.132 31.144 8.360 1.00 10.52 H new ATOM 283 N PHE A 40 50.592 29.533 5.607 1.00 8.98 N ATOM 284 CA PHE A 40 51.266 29.637 4.309 1.00 10.83 C ATOM 285 C PHE A 40 51.682 31.097 4.138 1.00 11.19 C ATOM 286 O PHE A 40 50.823 31.971 3.989 1.00 12.44 O ATOM 287 CB PHE A 40 50.354 29.209 3.158 1.00 12.15 C ATOM 288 CG PHE A 40 49.961 27.740 3.153 1.00 11.39 C ATOM 289 CD1 PHE A 40 50.493 26.834 4.059 1.00 13.09 C ATOM 290 CD2 PHE A 40 49.039 27.282 2.219 1.00 13.56 C ATOM 291 CE1 PHE A 40 50.111 25.490 4.031 1.00 13.58 C ATOM 292 CE2 PHE A 40 48.658 25.959 2.183 1.00 13.12 C ATOM 293 CZ PHE A 40 49.193 25.056 3.095 1.00 12.57 C ATOM 0 H PHE A 40 49.760 29.751 5.589 1.00 8.98 H new ATOM 0 HA PHE A 40 52.034 29.044 4.289 1.00 10.83 H new ATOM 0 HB2 PHE A 40 49.546 29.745 3.189 1.00 12.15 H new ATOM 0 HB3 PHE A 40 50.798 29.413 2.320 1.00 12.15 H new ATOM 0 HD1 PHE A 40 51.110 27.124 4.691 1.00 13.09 H new ATOM 0 HD2 PHE A 40 48.673 27.880 1.608 1.00 13.56 H new ATOM 0 HE1 PHE A 40 50.474 24.889 4.641 1.00 13.58 H new ATOM 0 HE2 PHE A 40 48.043 25.670 1.549 1.00 13.12 H new ATOM 0 HZ PHE A 40 48.934 24.163 3.075 1.00 12.57 H new ATOM 294 N HIS A 41 52.990 31.357 4.157 1.00 10.76 N ATOM 295 CA HIS A 41 53.551 32.705 4.204 1.00 11.72 C ATOM 296 C HIS A 41 54.046 33.166 2.839 1.00 13.04 C ATOM 297 O HIS A 41 54.434 32.355 1.996 1.00 13.36 O ATOM 298 CB HIS A 41 54.737 32.760 5.159 1.00 11.41 C ATOM 299 CG HIS A 41 54.361 32.890 6.599 1.00 11.07 C ATOM 300 ND1 HIS A 41 54.285 34.108 7.240 1.00 13.68 N ATOM 301 CD2 HIS A 41 54.063 31.951 7.530 1.00 10.61 C ATOM 302 CE1 HIS A 41 53.948 33.913 8.505 1.00 14.53 C ATOM 303 NE2 HIS A 41 53.824 32.614 8.709 1.00 12.60 N ATOM 0 H HIS A 41 53.588 30.739 4.143 1.00 10.76 H new ATOM 0 HA HIS A 41 52.835 33.286 4.504 1.00 11.72 H new ATOM 0 HB2 HIS A 41 55.268 31.956 5.045 1.00 11.41 H new ATOM 0 HB3 HIS A 41 55.302 33.510 4.914 1.00 11.41 H new ATOM 0 HD1 HIS A 41 54.433 34.873 6.876 1.00 13.68 H new ATOM 0 HD2 HIS A 41 54.027 31.031 7.396 1.00 10.61 H new ATOM 0 HE1 HIS A 41 53.820 34.578 9.142 1.00 14.53 H new ATOM 0 HE2 HIS A 41 53.626 32.243 9.459 1.00 12.60 H new ATOM 304 N THR A 42 54.080 34.483 2.654 1.00 11.34 N ATOM 305 CA THR A 42 54.573 35.049 1.399 1.00 11.47 C ATOM 306 C THR A 42 56.083 35.230 1.377 1.00 16.67 C ATOM 307 O THR A 42 56.644 35.477 0.303 1.00 17.33 O ATOM 308 CB THR A 42 53.916 36.401 1.110 1.00 14.38 C ATOM 309 OG1 THR A 42 54.214 37.322 2.168 1.00 13.76 O ATOM 310 CG2 THR A 42 52.414 36.242 0.956 1.00 14.86 C ATOM 0 H THR A 42 53.825 35.062 3.236 1.00 11.34 H new ATOM 0 HA THR A 42 54.336 34.405 0.713 1.00 11.47 H new ATOM 0 HB THR A 42 54.271 36.750 0.278 1.00 14.38 H new ATOM 0 HG1 THR A 42 54.355 38.084 1.845 1.00 13.76 H new ATOM 0 HG21 THR A 42 52.014 37.107 0.774 1.00 14.86 H new ATOM 0 HG22 THR A 42 52.226 35.638 0.221 1.00 14.86 H new ATOM 0 HG23 THR A 42 52.041 35.880 1.775 1.00 14.86 H new ATOM 311 N GLU A 43 56.751 35.147 2.523 1.00 13.85 N ATOM 312 CA GLU A 43 58.206 35.209 2.581 1.00 16.43 C ATOM 313 C GLU A 43 58.684 34.258 3.668 1.00 17.46 C ATOM 314 O GLU A 43 57.893 33.758 4.472 1.00 16.88 O ATOM 315 CB GLU A 43 58.708 36.635 2.862 1.00 17.63 C ATOM 316 CG GLU A 43 58.170 37.713 1.931 1.00 20.40 C ATOM 317 CD GLU A 43 58.802 37.649 0.548 1.00 28.77 C ATOM 318 OE1 GLU A 43 59.861 37.000 0.399 1.00 28.14 O ATOM 319 OE2 GLU A 43 58.248 38.262 -0.389 1.00 28.95 O ATOM 0 H GLU A 43 56.372 35.053 3.289 1.00 13.85 H new ATOM 0 HA GLU A 43 58.566 34.948 1.719 1.00 16.43 H new ATOM 0 HB2 GLU A 43 58.474 36.870 3.773 1.00 17.63 H new ATOM 0 HB3 GLU A 43 59.677 36.637 2.808 1.00 17.63 H new ATOM 0 HG2 GLU A 43 57.208 37.617 1.850 1.00 20.40 H new ATOM 0 HG3 GLU A 43 58.336 38.586 2.320 1.00 20.40 H new ATOM 320 N MET A 44 59.999 34.013 3.699 1.00 17.67 N ATOM 321 CA MET A 44 60.573 33.163 4.740 1.00 18.57 C ATOM 322 C MET A 44 60.448 33.762 6.135 1.00 21.77 C ATOM 323 O MET A 44 60.491 33.015 7.123 1.00 23.91 O ATOM 324 CB MET A 44 62.048 32.890 4.445 1.00 20.51 C ATOM 325 CG MET A 44 62.264 31.977 3.274 1.00 25.85 C ATOM 326 SD MET A 44 61.495 30.368 3.504 1.00 27.30 S ATOM 327 CE MET A 44 62.414 29.749 4.905 1.00 27.68 C ATOM 0 H MET A 44 60.566 34.326 3.133 1.00 17.67 H new ATOM 0 HA MET A 44 60.065 32.337 4.729 1.00 18.57 H new ATOM 0 HB2 MET A 44 62.498 33.733 4.277 1.00 20.51 H new ATOM 0 HB3 MET A 44 62.461 32.500 5.231 1.00 20.51 H new ATOM 0 HG2 MET A 44 61.906 32.392 2.474 1.00 25.85 H new ATOM 0 HG3 MET A 44 63.216 31.860 3.131 1.00 25.85 H new ATOM 0 HE1 MET A 44 62.304 28.787 4.965 1.00 27.68 H new ATOM 0 HE2 MET A 44 63.354 29.961 4.795 1.00 27.68 H new ATOM 0 HE3 MET A 44 62.083 30.163 5.718 1.00 27.68 H new ATOM 328 N LYS A 45 60.291 35.076 6.243 1.00 21.11 N ATOM 329 CA LYS A 45 60.257 35.740 7.538 1.00 19.05 C ATOM 330 C LYS A 45 58.923 35.459 8.221 1.00 18.74 C ATOM 331 O LYS A 45 57.866 35.526 7.585 1.00 17.15 O ATOM 332 CB LYS A 45 60.458 37.253 7.378 1.00 24.02 C ATOM 333 CG LYS A 45 61.858 37.747 6.927 1.00 34.07 C ATOM 334 CD LYS A 45 62.506 36.918 5.808 1.00 44.65 C ATOM 335 CE LYS A 45 61.906 37.221 4.428 1.00 35.55 C ATOM 336 NZ LYS A 45 62.683 36.624 3.312 1.00 38.03 N ATOM 0 H LYS A 45 60.202 35.605 5.571 1.00 21.11 H new ATOM 0 HA LYS A 45 60.979 35.394 8.085 1.00 19.05 H new ATOM 0 HB2 LYS A 45 59.806 37.575 6.736 1.00 24.02 H new ATOM 0 HB3 LYS A 45 60.252 37.674 8.227 1.00 24.02 H new ATOM 0 HG2 LYS A 45 61.781 38.666 6.628 1.00 34.07 H new ATOM 0 HG3 LYS A 45 62.450 37.747 7.696 1.00 34.07 H new ATOM 0 HD2 LYS A 45 63.459 37.096 5.789 1.00 44.65 H new ATOM 0 HD3 LYS A 45 62.397 35.974 6.004 1.00 44.65 H new ATOM 0 HE2 LYS A 45 60.996 36.887 4.396 1.00 35.55 H new ATOM 0 HE3 LYS A 45 61.860 38.182 4.305 1.00 35.55 H new ATOM 0 HZ1 LYS A 45 63.147 37.261 2.899 1.00 38.03 H new ATOM 0 HZ2 LYS A 45 63.243 36.012 3.634 1.00 38.03 H new ATOM 0 HZ3 LYS A 45 62.126 36.241 2.734 1.00 38.03 H new ATOM 337 N GLU A 46 58.978 35.133 9.525 1.00 18.58 N ATOM 338 CA GLU A 46 57.770 34.778 10.276 1.00 17.72 C ATOM 339 C GLU A 46 56.745 35.910 10.316 1.00 15.85 C ATOM 340 O GLU A 46 55.543 35.654 10.466 1.00 16.30 O ATOM 341 CB GLU A 46 58.142 34.379 11.711 1.00 21.05 C ATOM 342 CG GLU A 46 58.776 35.516 12.507 1.00 25.03 C ATOM 343 CD GLU A 46 58.907 35.224 13.998 1.00 30.70 C ATOM 344 OE1 GLU A 46 58.276 34.259 14.476 1.00 32.70 O ATOM 345 OE2 GLU A 46 59.639 35.966 14.690 1.00 33.24 O ATOM 0 H GLU A 46 59.704 35.113 9.986 1.00 18.58 H new ATOM 0 HA GLU A 46 57.361 34.030 9.812 1.00 17.72 H new ATOM 0 HB2 GLU A 46 57.345 34.074 12.172 1.00 21.05 H new ATOM 0 HB3 GLU A 46 58.757 33.630 11.683 1.00 21.05 H new ATOM 0 HG2 GLU A 46 59.656 35.703 12.144 1.00 25.03 H new ATOM 0 HG3 GLU A 46 58.244 36.319 12.388 1.00 25.03 H new ATOM 346 N GLU A 47 57.185 37.160 10.221 1.00 16.02 N ATOM 347 CA GLU A 47 56.260 38.281 10.263 1.00 15.79 C ATOM 348 C GLU A 47 55.665 38.608 8.900 1.00 13.72 C ATOM 349 O GLU A 47 54.887 39.565 8.792 1.00 15.66 O ATOM 350 CB GLU A 47 56.958 39.516 10.845 1.00 19.50 C ATOM 351 CG GLU A 47 57.982 40.159 9.917 1.00 26.61 C ATOM 352 CD GLU A 47 59.380 39.548 10.014 1.00 31.36 C ATOM 353 OE1 GLU A 47 59.557 38.467 10.617 1.00 24.93 O ATOM 354 OE2 GLU A 47 60.321 40.180 9.485 1.00 42.74 O ATOM 0 H GLU A 47 58.012 37.378 10.132 1.00 16.02 H new ATOM 0 HA GLU A 47 55.523 38.019 10.836 1.00 15.79 H new ATOM 0 HB2 GLU A 47 56.285 40.176 11.073 1.00 19.50 H new ATOM 0 HB3 GLU A 47 57.400 39.265 11.671 1.00 19.50 H new ATOM 0 HG2 GLU A 47 57.669 40.083 9.002 1.00 26.61 H new ATOM 0 HG3 GLU A 47 58.038 41.106 10.119 1.00 26.61 H new ATOM 355 N SER A 48 55.993 37.831 7.873 1.00 13.62 N ATOM 356 CA SER A 48 55.472 38.114 6.547 1.00 12.93 C ATOM 357 C SER A 48 53.987 37.780 6.473 1.00 12.72 C ATOM 358 O SER A 48 53.425 37.093 7.331 1.00 12.94 O ATOM 359 CB SER A 48 56.238 37.325 5.486 1.00 15.47 C ATOM 360 OG SER A 48 55.994 35.932 5.591 1.00 15.68 O ATOM 0 H SER A 48 56.509 37.145 7.923 1.00 13.62 H new ATOM 0 HA SER A 48 55.589 39.061 6.374 1.00 12.93 H new ATOM 0 HB2 SER A 48 55.980 37.634 4.603 1.00 15.47 H new ATOM 0 HB3 SER A 48 57.188 37.495 5.579 1.00 15.47 H new ATOM 0 HG SER A 48 56.495 35.603 6.179 1.00 15.68 H new ATOM 361 N ASP A 49 53.357 38.269 5.410 1.00 12.55 N ATOM 362 CA ASP A 49 51.937 38.061 5.192 1.00 12.83 C ATOM 363 C ASP A 49 51.608 36.579 5.080 1.00 11.12 C ATOM 364 O ASP A 49 52.455 35.743 4.750 1.00 12.59 O ATOM 365 CB ASP A 49 51.503 38.790 3.924 1.00 13.85 C ATOM 366 CG ASP A 49 51.393 40.285 4.130 1.00 15.99 C ATOM 367 OD1 ASP A 49 51.550 40.753 5.274 1.00 15.02 O ATOM 368 OD2 ASP A 49 51.145 40.999 3.138 1.00 16.36 O ATOM 0 H ASP A 49 53.744 38.731 4.796 1.00 12.55 H new ATOM 0 HA ASP A 49 51.454 38.417 5.954 1.00 12.83 H new ATOM 0 HB2 ASP A 49 52.140 38.609 3.215 1.00 13.85 H new ATOM 0 HB3 ASP A 49 50.646 38.442 3.631 1.00 13.85 H new ATOM 369 N ILE A 50 50.353 36.255 5.382 1.00 11.00 N ATOM 370 CA ILE A 50 49.887 34.871 5.424 1.00 11.70 C ATOM 371 C ILE A 50 48.753 34.725 4.420 1.00 12.14 C ATOM 372 O ILE A 50 47.684 35.330 4.577 1.00 12.71 O ATOM 373 CB ILE A 50 49.439 34.467 6.834 1.00 10.58 C ATOM 374 CG1 ILE A 50 50.639 34.546 7.786 1.00 9.91 C ATOM 375 CG2 ILE A 50 48.868 33.064 6.817 1.00 10.45 C ATOM 376 CD1 ILE A 50 50.295 34.360 9.268 1.00 10.81 C ATOM 0 H ILE A 50 49.745 36.834 5.569 1.00 11.00 H new ATOM 0 HA ILE A 50 50.615 34.275 5.190 1.00 11.70 H new ATOM 0 HB ILE A 50 48.747 35.073 7.141 1.00 10.58 H new ATOM 0 HG12 ILE A 50 51.285 33.869 7.529 1.00 9.91 H new ATOM 0 HG13 ILE A 50 51.070 35.407 7.672 1.00 9.91 H new ATOM 0 HG21 ILE A 50 48.588 32.818 7.712 1.00 10.45 H new ATOM 0 HG22 ILE A 50 48.105 33.032 6.219 1.00 10.45 H new ATOM 0 HG23 ILE A 50 49.546 32.442 6.508 1.00 10.45 H new ATOM 0 HD11 ILE A 50 51.104 34.424 9.799 1.00 10.81 H new ATOM 0 HD12 ILE A 50 49.672 35.050 9.545 1.00 10.81 H new ATOM 0 HD13 ILE A 50 49.890 33.488 9.400 1.00 10.81 H new ATOM 377 N VAL A 51 48.996 33.927 3.381 1.00 11.36 N ATOM 378 CA VAL A 51 47.988 33.654 2.366 1.00 12.27 C ATOM 379 C VAL A 51 46.877 32.778 2.929 1.00 13.37 C ATOM 380 O VAL A 51 45.698 32.927 2.575 1.00 14.41 O ATOM 381 CB VAL A 51 48.680 32.998 1.157 1.00 17.80 C ATOM 382 CG1 VAL A 51 47.684 32.439 0.176 1.00 19.46 C ATOM 383 CG2 VAL A 51 49.624 33.997 0.503 1.00 16.38 C ATOM 0 H VAL A 51 49.748 33.531 3.248 1.00 11.36 H new ATOM 0 HA VAL A 51 47.569 34.481 2.080 1.00 12.27 H new ATOM 0 HB VAL A 51 49.201 32.243 1.471 1.00 17.80 H new ATOM 0 HG11 VAL A 51 48.155 32.035 -0.569 1.00 19.46 H new ATOM 0 HG12 VAL A 51 47.139 31.768 0.615 1.00 19.46 H new ATOM 0 HG13 VAL A 51 47.115 33.154 -0.151 1.00 19.46 H new ATOM 0 HG21 VAL A 51 50.059 33.581 -0.258 1.00 16.38 H new ATOM 0 HG22 VAL A 51 49.121 34.771 0.205 1.00 16.38 H new ATOM 0 HG23 VAL A 51 50.295 34.276 1.145 1.00 16.38 H new ATOM 384 N PHE A 52 47.238 31.838 3.793 1.00 12.61 N ATOM 385 CA PHE A 52 46.278 30.906 4.371 1.00 11.85 C ATOM 386 C PHE A 52 46.733 30.599 5.784 1.00 10.73 C ATOM 387 O PHE A 52 47.837 30.088 5.982 1.00 11.94 O ATOM 388 CB PHE A 52 46.182 29.623 3.544 1.00 12.62 C ATOM 389 CG PHE A 52 45.229 28.598 4.103 1.00 12.63 C ATOM 390 CD1 PHE A 52 43.998 28.974 4.601 1.00 15.57 C ATOM 391 CD2 PHE A 52 45.567 27.256 4.123 1.00 15.28 C ATOM 392 CE1 PHE A 52 43.112 28.026 5.114 1.00 14.58 C ATOM 393 CE2 PHE A 52 44.680 26.311 4.626 1.00 15.72 C ATOM 394 CZ PHE A 52 43.456 26.702 5.119 1.00 15.16 C ATOM 0 H PHE A 52 48.047 31.722 4.061 1.00 12.61 H new ATOM 0 HA PHE A 52 45.393 31.303 4.376 1.00 11.85 H new ATOM 0 HB2 PHE A 52 45.904 29.851 2.643 1.00 12.62 H new ATOM 0 HB3 PHE A 52 47.065 29.227 3.477 1.00 12.62 H new ATOM 0 HD1 PHE A 52 43.756 29.872 4.595 1.00 15.57 H new ATOM 0 HD2 PHE A 52 46.395 26.984 3.797 1.00 15.28 H new ATOM 0 HE1 PHE A 52 42.288 28.294 5.452 1.00 14.58 H new ATOM 0 HE2 PHE A 52 44.915 25.411 4.629 1.00 15.72 H new ATOM 0 HZ PHE A 52 42.864 26.068 5.455 1.00 15.16 H new ATOM 395 N HIS A 53 45.887 30.946 6.738 1.00 11.04 N ATOM 396 CA HIS A 53 46.102 30.721 8.160 1.00 10.89 C ATOM 397 C HIS A 53 45.067 29.705 8.612 1.00 11.11 C ATOM 398 O HIS A 53 43.874 29.890 8.364 1.00 12.72 O ATOM 399 CB HIS A 53 45.970 32.053 8.905 1.00 11.74 C ATOM 400 CG HIS A 53 45.704 31.937 10.375 1.00 10.98 C ATOM 401 ND1 HIS A 53 46.687 31.636 11.297 1.00 11.27 N ATOM 402 CD2 HIS A 53 44.572 32.149 11.088 1.00 14.54 C ATOM 403 CE1 HIS A 53 46.164 31.650 12.513 1.00 14.14 C ATOM 404 NE2 HIS A 53 44.883 31.960 12.414 1.00 13.75 N ATOM 0 H HIS A 53 45.139 31.336 6.570 1.00 11.04 H new ATOM 0 HA HIS A 53 46.989 30.377 8.347 1.00 10.89 H new ATOM 0 HB2 HIS A 53 46.786 32.561 8.778 1.00 11.74 H new ATOM 0 HB3 HIS A 53 45.252 32.564 8.500 1.00 11.74 H new ATOM 0 HD1 HIS A 53 47.509 31.466 11.111 1.00 11.27 H new ATOM 0 HD2 HIS A 53 43.739 32.380 10.744 1.00 14.54 H new ATOM 0 HE1 HIS A 53 46.621 31.472 13.303 1.00 14.14 H new ATOM 405 N PHE A 54 45.531 28.605 9.219 1.00 10.57 N ATOM 406 CA PHE A 54 44.670 27.497 9.631 1.00 10.80 C ATOM 407 C PHE A 54 45.005 27.200 11.083 1.00 10.59 C ATOM 408 O PHE A 54 46.116 26.758 11.379 1.00 11.59 O ATOM 409 CB PHE A 54 44.919 26.283 8.739 1.00 10.21 C ATOM 410 CG PHE A 54 44.161 25.054 9.135 1.00 12.24 C ATOM 411 CD1 PHE A 54 42.835 24.890 8.755 1.00 13.91 C ATOM 412 CD2 PHE A 54 44.783 24.051 9.862 1.00 14.71 C ATOM 413 CE1 PHE A 54 42.127 23.750 9.104 1.00 15.17 C ATOM 414 CE2 PHE A 54 44.092 22.901 10.209 1.00 15.72 C ATOM 415 CZ PHE A 54 42.758 22.751 9.836 1.00 15.39 C ATOM 0 H PHE A 54 46.362 28.484 9.403 1.00 10.57 H new ATOM 0 HA PHE A 54 43.730 27.722 9.544 1.00 10.80 H new ATOM 0 HB2 PHE A 54 44.685 26.513 7.826 1.00 10.21 H new ATOM 0 HB3 PHE A 54 45.868 26.080 8.746 1.00 10.21 H new ATOM 0 HD1 PHE A 54 42.415 25.555 8.259 1.00 13.91 H new ATOM 0 HD2 PHE A 54 45.671 24.151 10.119 1.00 14.71 H new ATOM 0 HE1 PHE A 54 41.237 23.655 8.850 1.00 15.17 H new ATOM 0 HE2 PHE A 54 44.519 22.230 10.691 1.00 15.72 H new ATOM 0 HZ PHE A 54 42.291 21.984 10.076 1.00 15.39 H new ATOM 416 N GLN A 55 44.064 27.440 11.996 1.00 10.23 N ATOM 417 CA GLN A 55 44.337 27.279 13.419 1.00 10.84 C ATOM 418 C GLN A 55 43.266 26.409 14.060 1.00 11.63 C ATOM 419 O GLN A 55 42.085 26.765 14.060 1.00 14.11 O ATOM 420 CB GLN A 55 44.423 28.633 14.114 1.00 12.03 C ATOM 421 CG GLN A 55 44.853 28.514 15.571 1.00 12.79 C ATOM 422 CD GLN A 55 44.570 29.776 16.330 1.00 17.12 C ATOM 423 OE1 GLN A 55 43.419 30.061 16.675 1.00 17.00 O ATOM 424 NE2 GLN A 55 45.617 30.556 16.590 1.00 16.70 N ATOM 0 H GLN A 55 43.264 27.696 11.811 1.00 10.23 H new ATOM 0 HA GLN A 55 45.196 26.840 13.521 1.00 10.84 H new ATOM 0 HB2 GLN A 55 45.053 29.198 13.639 1.00 12.03 H new ATOM 0 HB3 GLN A 55 43.559 29.072 14.070 1.00 12.03 H new ATOM 0 HG2 GLN A 55 44.387 27.772 15.988 1.00 12.79 H new ATOM 0 HG3 GLN A 55 45.801 28.314 15.615 1.00 12.79 H new ATOM 0 HE21 GLN A 55 46.403 30.321 16.332 1.00 16.70 H new ATOM 0 HE22 GLN A 55 45.507 31.295 17.016 1.00 16.70 H new ATOM 425 N VAL A 56 43.684 25.266 14.592 1.00 11.36 N ATOM 426 CA VAL A 56 42.795 24.346 15.298 1.00 11.40 C ATOM 427 C VAL A 56 42.955 24.594 16.783 1.00 12.65 C ATOM 428 O VAL A 56 44.077 24.570 17.299 1.00 13.12 O ATOM 429 CB VAL A 56 43.124 22.876 14.982 1.00 12.81 C ATOM 430 CG1 VAL A 56 42.091 21.943 15.644 1.00 14.95 C ATOM 431 CG2 VAL A 56 43.202 22.632 13.494 1.00 16.86 C ATOM 0 H VAL A 56 44.500 24.998 14.554 1.00 11.36 H new ATOM 0 HA VAL A 56 41.882 24.505 15.010 1.00 11.40 H new ATOM 0 HB VAL A 56 43.999 22.678 15.351 1.00 12.81 H new ATOM 0 HG11 VAL A 56 42.309 21.021 15.438 1.00 14.95 H new ATOM 0 HG12 VAL A 56 42.108 22.072 16.605 1.00 14.95 H new ATOM 0 HG13 VAL A 56 41.205 22.149 15.306 1.00 14.95 H new ATOM 0 HG21 VAL A 56 43.410 21.699 13.329 1.00 16.86 H new ATOM 0 HG22 VAL A 56 42.350 22.850 13.085 1.00 16.86 H new ATOM 0 HG23 VAL A 56 43.896 23.190 13.110 1.00 16.86 H new ATOM 432 N CYS A 57 41.842 24.790 17.480 1.00 12.87 N ATOM 433 CA CYS A 57 41.814 24.623 18.931 1.00 14.43 C ATOM 434 C CYS A 57 41.145 23.276 19.169 1.00 15.10 C ATOM 435 O CYS A 57 39.928 23.149 19.020 1.00 15.34 O ATOM 436 CB CYS A 57 41.079 25.761 19.617 1.00 17.30 C ATOM 437 SG CYS A 57 41.223 25.640 21.427 1.00 22.66 S ATOM 0 H CYS A 57 41.090 25.021 17.132 1.00 12.87 H new ATOM 0 HA CYS A 57 42.706 24.644 19.311 1.00 14.43 H new ATOM 0 HB2 CYS A 57 41.440 26.610 19.317 1.00 17.30 H new ATOM 0 HB3 CYS A 57 40.143 25.745 19.363 1.00 17.30 H new ATOM 0 HG CYS A 57 40.634 26.553 21.938 1.00 22.66 H new ATOM 438 N PHE A 58 41.955 22.265 19.487 1.00 12.05 N ATOM 439 CA PHE A 58 41.476 20.888 19.477 1.00 13.91 C ATOM 440 C PHE A 58 40.326 20.717 20.453 1.00 14.81 C ATOM 441 O PHE A 58 40.444 21.054 21.633 1.00 15.70 O ATOM 442 CB PHE A 58 42.604 19.927 19.846 1.00 13.40 C ATOM 443 CG PHE A 58 43.644 19.751 18.774 1.00 11.02 C ATOM 444 CD1 PHE A 58 43.409 18.925 17.680 1.00 14.43 C ATOM 445 CD2 PHE A 58 44.872 20.388 18.880 1.00 12.70 C ATOM 446 CE1 PHE A 58 44.384 18.757 16.700 1.00 14.76 C ATOM 447 CE2 PHE A 58 45.852 20.222 17.910 1.00 13.24 C ATOM 448 CZ PHE A 58 45.605 19.405 16.813 1.00 13.44 C ATOM 0 H PHE A 58 42.780 22.357 19.710 1.00 12.05 H new ATOM 0 HA PHE A 58 41.165 20.684 18.581 1.00 13.91 H new ATOM 0 HB2 PHE A 58 43.037 20.248 20.652 1.00 13.40 H new ATOM 0 HB3 PHE A 58 42.221 19.061 20.055 1.00 13.40 H new ATOM 0 HD1 PHE A 58 42.595 18.482 17.602 1.00 14.43 H new ATOM 0 HD2 PHE A 58 45.042 20.935 19.613 1.00 12.70 H new ATOM 0 HE1 PHE A 58 44.216 18.209 15.968 1.00 14.76 H new ATOM 0 HE2 PHE A 58 46.670 20.656 17.994 1.00 13.24 H new ATOM 0 HZ PHE A 58 46.255 19.293 16.158 1.00 13.44 H new ATOM 449 N GLY A 59 39.218 20.158 19.960 1.00 13.67 N ATOM 450 CA GLY A 59 38.029 19.981 20.755 1.00 16.30 C ATOM 451 C GLY A 59 37.074 21.154 20.750 1.00 19.05 C ATOM 452 O GLY A 59 35.970 21.032 21.300 1.00 19.33 O ATOM 0 H GLY A 59 39.146 19.874 19.151 1.00 13.67 H new ATOM 0 HA2 GLY A 59 37.557 19.196 20.436 1.00 16.30 H new ATOM 0 HA3 GLY A 59 38.293 19.800 21.671 1.00 16.30 H new ATOM 453 N ARG A 60 37.458 22.284 20.148 1.00 16.29 N ATOM 454 CA ARG A 60 36.667 23.511 20.205 1.00 14.55 C ATOM 455 C ARG A 60 36.257 23.973 18.813 1.00 18.69 C ATOM 456 O ARG A 60 35.072 23.907 18.473 1.00 21.36 O ATOM 457 CB ARG A 60 37.450 24.610 20.922 1.00 17.45 C ATOM 458 CG ARG A 60 37.888 24.253 22.316 1.00 23.68 C ATOM 459 CD ARG A 60 36.861 24.698 23.318 1.00 29.93 C ATOM 460 NE ARG A 60 37.453 24.848 24.643 1.00 25.27 N ATOM 461 CZ ARG A 60 36.960 25.642 25.583 1.00 26.32 C ATOM 462 NH1 ARG A 60 35.862 26.349 25.341 1.00 33.79 N ATOM 463 NH2 ARG A 60 37.559 25.727 26.762 1.00 25.12 N ATOM 0 H ARG A 60 38.186 22.357 19.695 1.00 16.29 H new ATOM 0 HA ARG A 60 35.857 23.322 20.704 1.00 14.55 H new ATOM 0 HB2 ARG A 60 38.234 24.830 20.395 1.00 17.45 H new ATOM 0 HB3 ARG A 60 36.902 25.409 20.962 1.00 17.45 H new ATOM 0 HG2 ARG A 60 38.021 23.295 22.384 1.00 23.68 H new ATOM 0 HG3 ARG A 60 38.741 24.672 22.511 1.00 23.68 H new ATOM 0 HD2 ARG A 60 36.473 25.541 23.036 1.00 29.93 H new ATOM 0 HD3 ARG A 60 36.138 24.052 23.354 1.00 29.93 H new ATOM 0 HE ARG A 60 38.162 24.396 24.824 1.00 25.27 H new ATOM 0 HH11 ARG A 60 35.473 26.291 24.576 1.00 33.79 H new ATOM 0 HH12 ARG A 60 35.540 26.865 25.949 1.00 33.79 H new ATOM 0 HH21 ARG A 60 38.268 25.267 26.918 1.00 25.12 H new ATOM 0 HH22 ARG A 60 37.238 26.242 27.371 1.00 25.12 H new ATOM 464 N ARG A 61 37.192 24.458 17.999 1.00 16.10 N ATOM 465 CA ARG A 61 36.834 25.033 16.710 1.00 15.69 C ATOM 466 C ARG A 61 38.093 25.176 15.874 1.00 14.70 C ATOM 467 O ARG A 61 39.216 25.016 16.366 1.00 14.12 O ATOM 468 CB ARG A 61 36.162 26.397 16.863 1.00 17.46 C ATOM 469 CG ARG A 61 37.077 27.461 17.435 1.00 21.62 C ATOM 470 CD ARG A 61 36.439 28.849 17.368 1.00 25.27 C ATOM 471 NE ARG A 61 37.368 29.899 17.782 1.00 31.57 N ATOM 472 CZ ARG A 61 37.135 31.203 17.645 1.00 33.08 C ATOM 473 NH1 ARG A 61 36.001 31.625 17.108 1.00 35.88 N ATOM 474 NH2 ARG A 61 38.036 32.087 18.047 1.00 36.69 N ATOM 0 H ARG A 61 38.034 24.463 18.175 1.00 16.10 H new ATOM 0 HA ARG A 61 36.199 24.442 16.276 1.00 15.69 H new ATOM 0 HB2 ARG A 61 35.840 26.690 15.996 1.00 17.46 H new ATOM 0 HB3 ARG A 61 35.386 26.305 17.438 1.00 17.46 H new ATOM 0 HG2 ARG A 61 37.288 27.245 18.357 1.00 21.62 H new ATOM 0 HG3 ARG A 61 37.915 27.465 16.946 1.00 21.62 H new ATOM 0 HD2 ARG A 61 36.139 29.023 16.462 1.00 25.27 H new ATOM 0 HD3 ARG A 61 35.653 28.871 17.936 1.00 25.27 H new ATOM 0 HE ARG A 61 38.114 29.659 18.137 1.00 31.57 H new ATOM 0 HH11 ARG A 61 35.411 31.056 16.846 1.00 35.88 H new ATOM 0 HH12 ARG A 61 35.854 32.468 17.021 1.00 35.88 H new ATOM 0 HH21 ARG A 61 38.774 31.819 18.398 1.00 36.69 H new ATOM 0 HH22 ARG A 61 37.883 32.928 17.957 1.00 36.69 H new ATOM 475 N VAL A 62 37.880 25.507 14.604 1.00 13.80 N ATOM 476 CA VAL A 62 38.938 25.876 13.677 1.00 14.38 C ATOM 477 C VAL A 62 38.670 27.296 13.205 1.00 14.32 C ATOM 478 O VAL A 62 37.520 27.673 12.954 1.00 14.63 O ATOM 479 CB VAL A 62 39.005 24.899 12.488 1.00 16.21 C ATOM 480 CG1 VAL A 62 39.894 25.440 11.390 1.00 17.17 C ATOM 481 CG2 VAL A 62 39.509 23.547 12.966 1.00 18.24 C ATOM 0 H VAL A 62 37.096 25.523 14.251 1.00 13.80 H new ATOM 0 HA VAL A 62 39.799 25.830 14.122 1.00 14.38 H new ATOM 0 HB VAL A 62 38.113 24.795 12.121 1.00 16.21 H new ATOM 0 HG11 VAL A 62 39.920 24.809 10.654 1.00 17.17 H new ATOM 0 HG12 VAL A 62 39.542 26.287 11.076 1.00 17.17 H new ATOM 0 HG13 VAL A 62 40.791 25.571 11.735 1.00 17.17 H new ATOM 0 HG21 VAL A 62 39.550 22.933 12.216 1.00 18.24 H new ATOM 0 HG22 VAL A 62 40.394 23.649 13.349 1.00 18.24 H new ATOM 0 HG23 VAL A 62 38.904 23.195 13.638 1.00 18.24 H new ATOM 482 N VAL A 63 39.717 28.103 13.128 1.00 12.76 N ATOM 483 CA VAL A 63 39.606 29.430 12.541 1.00 13.96 C ATOM 484 C VAL A 63 40.546 29.499 11.350 1.00 13.93 C ATOM 485 O VAL A 63 41.622 28.889 11.343 1.00 13.25 O ATOM 486 CB VAL A 63 39.888 30.556 13.560 1.00 17.18 C ATOM 487 CG1 VAL A 63 38.934 30.440 14.752 1.00 19.75 C ATOM 488 CG2 VAL A 63 41.328 30.539 14.030 1.00 14.21 C ATOM 0 H VAL A 63 40.504 27.901 13.411 1.00 12.76 H new ATOM 0 HA VAL A 63 38.692 29.573 12.250 1.00 13.96 H new ATOM 0 HB VAL A 63 39.737 31.404 13.114 1.00 17.18 H new ATOM 0 HG11 VAL A 63 39.119 31.151 15.385 1.00 19.75 H new ATOM 0 HG12 VAL A 63 38.018 30.514 14.442 1.00 19.75 H new ATOM 0 HG13 VAL A 63 39.060 29.581 15.185 1.00 19.75 H new ATOM 0 HG21 VAL A 63 41.469 31.257 14.667 1.00 14.21 H new ATOM 0 HG22 VAL A 63 41.520 29.688 14.455 1.00 14.21 H new ATOM 0 HG23 VAL A 63 41.918 30.661 13.270 1.00 14.21 H new ATOM 489 N MET A 64 40.104 30.191 10.313 1.00 13.36 N ATOM 490 CA MET A 64 40.917 30.373 9.125 1.00 13.20 C ATOM 491 C MET A 64 40.887 31.842 8.753 1.00 13.75 C ATOM 492 O MET A 64 39.906 32.540 9.015 1.00 15.09 O ATOM 493 CB MET A 64 40.431 29.514 7.953 1.00 12.38 C ATOM 494 CG MET A 64 40.701 28.027 8.166 1.00 14.76 C ATOM 495 SD MET A 64 39.970 26.986 6.901 1.00 15.92 S ATOM 496 CE MET A 64 38.232 27.076 7.321 1.00 17.90 C ATOM 0 H MET A 64 39.331 30.566 10.278 1.00 13.36 H new ATOM 0 HA MET A 64 41.823 30.087 9.319 1.00 13.20 H new ATOM 0 HB2 MET A 64 39.479 29.652 7.828 1.00 12.38 H new ATOM 0 HB3 MET A 64 40.870 29.806 7.138 1.00 12.38 H new ATOM 0 HG2 MET A 64 41.659 27.878 8.185 1.00 14.76 H new ATOM 0 HG3 MET A 64 40.356 27.763 9.033 1.00 14.76 H new ATOM 0 HE1 MET A 64 37.739 26.423 6.800 1.00 17.90 H new ATOM 0 HE2 MET A 64 38.117 26.889 8.266 1.00 17.90 H new ATOM 0 HE3 MET A 64 37.897 27.965 7.125 1.00 17.90 H new ATOM 497 N ASN A 65 41.981 32.316 8.171 1.00 11.72 N ATOM 498 CA ASN A 65 42.071 33.731 7.824 1.00 13.51 C ATOM 499 C ASN A 65 43.253 33.914 6.885 1.00 13.66 C ATOM 500 O ASN A 65 43.924 32.955 6.491 1.00 13.02 O ATOM 501 CB ASN A 65 42.234 34.603 9.078 1.00 10.86 C ATOM 502 CG ASN A 65 41.668 36.009 8.912 1.00 12.45 C ATOM 503 OD1 ASN A 65 41.473 36.487 7.797 1.00 13.49 O ATOM 504 ND2 ASN A 65 41.382 36.664 10.030 1.00 15.85 N ATOM 0 H ASN A 65 42.673 31.846 7.970 1.00 11.72 H new ATOM 0 HA ASN A 65 41.251 34.012 7.388 1.00 13.51 H new ATOM 0 HB2 ASN A 65 41.793 34.170 9.825 1.00 10.86 H new ATOM 0 HB3 ASN A 65 43.176 34.664 9.301 1.00 10.86 H new ATOM 0 HD21 ASN A 65 41.047 37.455 9.991 1.00 15.85 H new ATOM 0 HD22 ASN A 65 41.532 36.298 10.793 1.00 15.85 H new ATOM 505 N SER A 66 43.478 35.164 6.506 1.00 12.60 N ATOM 506 CA SER A 66 44.693 35.600 5.845 1.00 10.75 C ATOM 507 C SER A 66 45.208 36.807 6.609 1.00 14.25 C ATOM 508 O SER A 66 44.466 37.449 7.359 1.00 13.44 O ATOM 509 CB SER A 66 44.440 35.965 4.377 1.00 11.91 C ATOM 510 OG SER A 66 43.403 36.940 4.285 1.00 12.95 O ATOM 0 H SER A 66 42.911 35.798 6.631 1.00 12.60 H new ATOM 0 HA SER A 66 45.344 34.881 5.843 1.00 10.75 H new ATOM 0 HB2 SER A 66 45.254 36.310 3.977 1.00 11.91 H new ATOM 0 HB3 SER A 66 44.193 35.171 3.877 1.00 11.91 H new ATOM 0 HG SER A 66 43.570 37.468 3.653 1.00 12.95 H new ATOM 511 N ARG A 67 46.493 37.108 6.431 1.00 11.07 N ATOM 512 CA ARG A 67 47.091 38.298 7.027 1.00 10.57 C ATOM 513 C ARG A 67 47.745 39.059 5.889 1.00 12.50 C ATOM 514 O ARG A 67 48.698 38.564 5.285 1.00 12.47 O ATOM 515 CB ARG A 67 48.105 37.957 8.120 1.00 10.66 C ATOM 516 CG ARG A 67 48.578 39.200 8.877 1.00 10.81 C ATOM 517 CD ARG A 67 49.422 38.824 10.098 1.00 13.90 C ATOM 518 NE ARG A 67 50.738 38.327 9.714 1.00 13.74 N ATOM 519 CZ ARG A 67 51.475 37.531 10.487 1.00 12.23 C ATOM 520 NH1 ARG A 67 50.998 37.145 11.670 1.00 13.12 N ATOM 521 NH2 ARG A 67 52.673 37.123 10.084 1.00 12.27 N ATOM 0 H ARG A 67 47.037 36.632 5.965 1.00 11.07 H new ATOM 0 HA ARG A 67 46.411 38.831 7.468 1.00 10.57 H new ATOM 0 HB2 ARG A 67 47.706 37.332 8.745 1.00 10.66 H new ATOM 0 HB3 ARG A 67 48.870 37.512 7.722 1.00 10.66 H new ATOM 0 HG2 ARG A 67 49.098 39.764 8.283 1.00 10.81 H new ATOM 0 HG3 ARG A 67 47.810 39.720 9.161 1.00 10.81 H new ATOM 0 HD2 ARG A 67 49.524 39.599 10.672 1.00 13.90 H new ATOM 0 HD3 ARG A 67 48.959 38.147 10.615 1.00 13.90 H new ATOM 0 HE ARG A 67 51.055 38.560 8.949 1.00 13.74 H new ATOM 0 HH11 ARG A 67 50.221 37.410 11.928 1.00 13.12 H new ATOM 0 HH12 ARG A 67 51.467 36.631 12.176 1.00 13.12 H new ATOM 0 HH21 ARG A 67 52.978 37.373 9.319 1.00 12.27 H new ATOM 0 HH22 ARG A 67 53.144 36.609 10.588 1.00 12.27 H new ATOM 522 N GLU A 68 47.200 40.230 5.572 1.00 12.44 N ATOM 523 CA GLU A 68 47.566 40.970 4.373 1.00 12.88 C ATOM 524 C GLU A 68 48.089 42.339 4.782 1.00 12.09 C ATOM 525 O GLU A 68 47.410 43.076 5.505 1.00 13.82 O ATOM 526 CB GLU A 68 46.362 41.074 3.425 1.00 14.67 C ATOM 527 CG GLU A 68 45.785 39.693 3.060 1.00 16.33 C ATOM 528 CD GLU A 68 44.532 39.741 2.189 1.00 22.58 C ATOM 529 OE1 GLU A 68 44.343 40.744 1.457 1.00 25.43 O ATOM 530 OE2 GLU A 68 43.738 38.760 2.219 1.00 17.52 O ATOM 0 H GLU A 68 46.602 40.619 6.052 1.00 12.44 H new ATOM 0 HA GLU A 68 48.267 40.504 3.891 1.00 12.88 H new ATOM 0 HB2 GLU A 68 45.670 41.611 3.842 1.00 14.67 H new ATOM 0 HB3 GLU A 68 46.630 41.535 2.615 1.00 14.67 H new ATOM 0 HG2 GLU A 68 46.467 39.182 2.597 1.00 16.33 H new ATOM 0 HG3 GLU A 68 45.578 39.215 3.878 1.00 16.33 H new ATOM 531 N TYR A 69 49.296 42.665 4.320 1.00 15.56 N ATOM 532 CA TYR A 69 49.974 43.909 4.685 1.00 14.74 C ATOM 533 C TYR A 69 49.960 44.096 6.196 1.00 18.86 C ATOM 534 O TYR A 69 49.723 45.184 6.720 1.00 18.44 O ATOM 535 CB TYR A 69 49.359 45.099 3.941 1.00 15.27 C ATOM 536 CG TYR A 69 49.272 44.809 2.458 1.00 16.55 C ATOM 537 CD1 TYR A 69 50.380 44.950 1.636 1.00 21.61 C ATOM 538 CD2 TYR A 69 48.094 44.335 1.901 1.00 18.40 C ATOM 539 CE1 TYR A 69 50.308 44.654 0.285 1.00 19.63 C ATOM 540 CE2 TYR A 69 48.005 44.040 0.556 1.00 20.73 C ATOM 541 CZ TYR A 69 49.116 44.201 -0.245 1.00 17.51 C ATOM 542 OH TYR A 69 49.021 43.901 -1.583 1.00 20.57 O ATOM 0 H TYR A 69 49.747 42.167 3.783 1.00 15.56 H new ATOM 0 HA TYR A 69 50.903 43.857 4.411 1.00 14.74 H new ATOM 0 HB2 TYR A 69 48.474 45.285 4.292 1.00 15.27 H new ATOM 0 HB3 TYR A 69 49.896 45.893 4.090 1.00 15.27 H new ATOM 0 HD1 TYR A 69 51.183 45.248 1.997 1.00 21.61 H new ATOM 0 HD2 TYR A 69 47.349 44.214 2.445 1.00 18.40 H new ATOM 0 HE1 TYR A 69 51.055 44.759 -0.260 1.00 19.63 H new ATOM 0 HE2 TYR A 69 47.204 43.736 0.194 1.00 20.73 H new ATOM 0 HH TYR A 69 48.242 43.639 -1.757 1.00 20.57 H new ATOM 543 N GLY A 70 50.178 42.990 6.901 1.00 15.16 N ATOM 544 CA GLY A 70 50.313 42.997 8.339 1.00 16.79 C ATOM 545 C GLY A 70 49.028 42.952 9.133 1.00 17.63 C ATOM 546 O GLY A 70 49.095 42.930 10.371 1.00 19.46 O ATOM 0 H GLY A 70 50.251 42.209 6.547 1.00 15.16 H new ATOM 0 HA2 GLY A 70 50.857 42.237 8.597 1.00 16.79 H new ATOM 0 HA3 GLY A 70 50.801 43.795 8.595 1.00 16.79 H new ATOM 547 N ALA A 71 47.866 42.917 8.484 1.00 15.89 N ATOM 548 CA ALA A 71 46.580 42.973 9.169 1.00 18.14 C ATOM 549 C ALA A 71 45.774 41.706 8.919 1.00 14.18 C ATOM 550 O ALA A 71 45.642 41.258 7.773 1.00 14.08 O ATOM 551 CB ALA A 71 45.774 44.195 8.717 1.00 18.52 C ATOM 0 H ALA A 71 47.803 42.860 7.628 1.00 15.89 H new ATOM 0 HA ALA A 71 46.758 43.048 10.120 1.00 18.14 H new ATOM 0 HB1 ALA A 71 44.924 44.213 9.184 1.00 18.52 H new ATOM 0 HB2 ALA A 71 46.271 45.003 8.919 1.00 18.52 H new ATOM 0 HB3 ALA A 71 45.616 44.143 7.761 1.00 18.52 H new ATOM 552 N TRP A 72 45.216 41.142 9.989 1.00 14.08 N ATOM 553 CA TRP A 72 44.301 40.021 9.836 1.00 14.09 C ATOM 554 C TRP A 72 43.044 40.470 9.104 1.00 16.66 C ATOM 555 O TRP A 72 42.500 41.546 9.375 1.00 18.94 O ATOM 556 CB TRP A 72 43.933 39.445 11.204 1.00 13.88 C ATOM 557 CG TRP A 72 45.097 38.879 11.950 1.00 14.09 C ATOM 558 CD1 TRP A 72 45.734 39.428 13.025 1.00 15.83 C ATOM 559 CD2 TRP A 72 45.763 37.645 11.675 1.00 14.49 C ATOM 560 NE1 TRP A 72 46.763 38.611 13.437 1.00 15.92 N ATOM 561 CE2 TRP A 72 46.801 37.509 12.623 1.00 14.35 C ATOM 562 CE3 TRP A 72 45.581 36.640 10.718 1.00 12.96 C ATOM 563 CZ2 TRP A 72 47.653 36.404 12.649 1.00 16.55 C ATOM 564 CZ3 TRP A 72 46.431 35.537 10.743 1.00 15.51 C ATOM 565 CH2 TRP A 72 47.458 35.436 11.703 1.00 14.51 C ATOM 0 H TRP A 72 45.353 41.391 10.800 1.00 14.08 H new ATOM 0 HA TRP A 72 44.740 39.330 9.315 1.00 14.09 H new ATOM 0 HB2 TRP A 72 43.524 40.142 11.740 1.00 13.88 H new ATOM 0 HB3 TRP A 72 43.267 38.750 11.085 1.00 13.88 H new ATOM 0 HD1 TRP A 72 45.506 40.237 13.422 1.00 15.83 H new ATOM 0 HE1 TRP A 72 47.294 38.766 14.096 1.00 15.92 H new ATOM 0 HE3 TRP A 72 44.908 36.707 10.080 1.00 12.96 H new ATOM 0 HZ2 TRP A 72 48.327 36.329 13.285 1.00 16.55 H new ATOM 0 HZ3 TRP A 72 46.319 34.858 10.118 1.00 15.51 H new ATOM 0 HH2 TRP A 72 48.017 34.693 11.693 1.00 14.51 H new ATOM 566 N LYS A 73 42.572 39.631 8.183 1.00 14.17 N ATOM 567 CA LYS A 73 41.383 39.958 7.407 1.00 15.83 C ATOM 568 C LYS A 73 40.153 39.264 7.980 1.00 16.72 C ATOM 569 O LYS A 73 40.060 39.088 9.198 1.00 16.95 O ATOM 570 CB LYS A 73 41.628 39.614 5.939 1.00 16.29 C ATOM 571 CG LYS A 73 42.888 40.283 5.394 1.00 17.66 C ATOM 572 CD LYS A 73 42.796 41.800 5.459 1.00 25.55 C ATOM 573 CE LYS A 73 41.827 42.339 4.423 1.00 31.80 C ATOM 574 NZ LYS A 73 41.802 43.832 4.422 1.00 36.37 N ATOM 0 H LYS A 73 42.926 38.870 7.994 1.00 14.17 H new ATOM 0 HA LYS A 73 41.205 40.910 7.462 1.00 15.83 H new ATOM 0 HB2 LYS A 73 41.707 38.652 5.842 1.00 16.29 H new ATOM 0 HB3 LYS A 73 40.863 39.891 5.411 1.00 16.29 H new ATOM 0 HG2 LYS A 73 43.658 39.984 5.902 1.00 17.66 H new ATOM 0 HG3 LYS A 73 43.029 40.007 4.475 1.00 17.66 H new ATOM 0 HD2 LYS A 73 42.509 42.071 6.345 1.00 25.55 H new ATOM 0 HD3 LYS A 73 43.674 42.186 5.315 1.00 25.55 H new ATOM 0 HE2 LYS A 73 42.080 42.018 3.543 1.00 31.80 H new ATOM 0 HE3 LYS A 73 40.937 41.999 4.603 1.00 31.80 H new ATOM 0 HZ1 LYS A 73 41.227 44.119 3.806 1.00 36.37 H new ATOM 0 HZ2 LYS A 73 41.549 44.125 5.223 1.00 36.37 H new ATOM 0 HZ3 LYS A 73 42.615 44.143 4.236 1.00 36.37 H new ATOM 575 N GLN A 74 39.208 38.871 7.131 1.00 19.05 N ATOM 576 CA GLN A 74 37.942 38.311 7.602 1.00 23.26 C ATOM 577 C GLN A 74 38.146 36.906 8.161 1.00 17.51 C ATOM 578 O GLN A 74 38.457 35.972 7.419 1.00 17.96 O ATOM 579 CB GLN A 74 36.926 38.288 6.464 1.00 24.02 C ATOM 580 CG GLN A 74 35.572 37.716 6.860 1.00 28.00 C ATOM 581 CD GLN A 74 34.988 38.396 8.083 1.00 32.64 C ATOM 582 OE1 GLN A 74 34.868 37.791 9.152 1.00 38.77 O ATOM 583 NE2 GLN A 74 34.622 39.665 7.934 1.00 34.36 N ATOM 0 H GLN A 74 39.279 38.920 6.275 1.00 19.05 H new ATOM 0 HA GLN A 74 37.603 38.873 8.316 1.00 23.26 H new ATOM 0 HB2 GLN A 74 36.802 39.192 6.134 1.00 24.02 H new ATOM 0 HB3 GLN A 74 37.286 37.765 5.731 1.00 24.02 H new ATOM 0 HG2 GLN A 74 34.955 37.809 6.117 1.00 28.00 H new ATOM 0 HG3 GLN A 74 35.664 36.766 7.035 1.00 28.00 H new ATOM 0 HE21 GLN A 74 34.721 40.055 7.174 1.00 34.36 H new ATOM 0 HE22 GLN A 74 34.287 40.097 8.598 1.00 34.36 H new ATOM 584 N GLN A 75 37.933 36.742 9.462 1.00 18.55 N ATOM 585 CA GLN A 75 38.016 35.419 10.059 1.00 17.30 C ATOM 586 C GLN A 75 36.857 34.536 9.600 1.00 21.61 C ATOM 587 O GLN A 75 35.710 34.983 9.496 1.00 24.17 O ATOM 588 CB GLN A 75 38.024 35.541 11.583 1.00 20.19 C ATOM 589 CG GLN A 75 37.977 34.220 12.315 1.00 20.84 C ATOM 590 CD GLN A 75 38.367 34.358 13.773 1.00 25.01 C ATOM 591 OE1 GLN A 75 39.527 34.602 14.096 1.00 24.11 O ATOM 592 NE2 GLN A 75 37.390 34.222 14.663 1.00 24.94 N ATOM 0 H GLN A 75 37.741 37.377 10.010 1.00 18.55 H new ATOM 0 HA GLN A 75 38.841 35.000 9.768 1.00 17.30 H new ATOM 0 HB2 GLN A 75 38.823 36.020 11.854 1.00 20.19 H new ATOM 0 HB3 GLN A 75 37.264 36.078 11.858 1.00 20.19 H new ATOM 0 HG2 GLN A 75 37.082 33.851 12.255 1.00 20.84 H new ATOM 0 HG3 GLN A 75 38.573 33.590 11.881 1.00 20.84 H new ATOM 0 HE21 GLN A 75 36.589 34.051 14.400 1.00 24.94 H new ATOM 0 HE22 GLN A 75 37.558 34.305 15.502 1.00 24.94 H new ATOM 593 N VAL A 76 37.170 33.278 9.303 1.00 17.04 N ATOM 594 CA VAL A 76 36.183 32.229 9.076 1.00 20.09 C ATOM 595 C VAL A 76 36.304 31.235 10.221 1.00 18.44 C ATOM 596 O VAL A 76 37.411 30.965 10.697 1.00 19.89 O ATOM 597 CB VAL A 76 36.401 31.533 7.719 1.00 22.90 C ATOM 598 CG1 VAL A 76 35.447 30.361 7.551 1.00 32.17 C ATOM 599 CG2 VAL A 76 36.233 32.528 6.580 1.00 26.32 C ATOM 0 H VAL A 76 37.982 33.005 9.226 1.00 17.04 H new ATOM 0 HA VAL A 76 35.292 32.612 9.049 1.00 20.09 H new ATOM 0 HB VAL A 76 37.307 31.188 7.696 1.00 22.90 H new ATOM 0 HG11 VAL A 76 35.601 29.938 6.692 1.00 32.17 H new ATOM 0 HG12 VAL A 76 35.598 29.716 8.260 1.00 32.17 H new ATOM 0 HG13 VAL A 76 34.532 30.680 7.594 1.00 32.17 H new ATOM 0 HG21 VAL A 76 36.373 32.077 5.733 1.00 26.32 H new ATOM 0 HG22 VAL A 76 35.337 32.900 6.604 1.00 26.32 H new ATOM 0 HG23 VAL A 76 36.882 33.243 6.676 1.00 26.32 H new ATOM 600 N GLU A 77 35.172 30.699 10.674 1.00 19.17 N ATOM 601 CA GLU A 77 35.166 29.783 11.807 1.00 18.78 C ATOM 602 C GLU A 77 34.385 28.529 11.445 1.00 20.34 C ATOM 603 O GLU A 77 33.395 28.594 10.710 1.00 22.54 O ATOM 604 CB GLU A 77 34.553 30.457 13.042 1.00 25.52 C ATOM 605 CG GLU A 77 34.279 29.536 14.212 1.00 36.46 C ATOM 606 CD GLU A 77 33.807 30.292 15.443 1.00 42.46 C ATOM 607 OE1 GLU A 77 34.108 31.500 15.554 1.00 47.73 O ATOM 608 OE2 GLU A 77 33.136 29.678 16.296 1.00 46.54 O ATOM 0 H GLU A 77 34.396 30.855 10.337 1.00 19.17 H new ATOM 0 HA GLU A 77 36.080 29.538 12.019 1.00 18.78 H new ATOM 0 HB2 GLU A 77 35.150 31.162 13.337 1.00 25.52 H new ATOM 0 HB3 GLU A 77 33.720 30.881 12.781 1.00 25.52 H new ATOM 0 HG2 GLU A 77 33.607 28.885 13.958 1.00 36.46 H new ATOM 0 HG3 GLU A 77 35.085 29.042 14.428 1.00 36.46 H new ATOM 609 N SER A 78 34.847 27.386 11.947 1.00 17.34 N ATOM 610 CA SER A 78 34.155 26.117 11.782 1.00 15.98 C ATOM 611 C SER A 78 34.171 25.374 13.106 1.00 17.43 C ATOM 612 O SER A 78 35.192 25.354 13.794 1.00 17.86 O ATOM 613 CB SER A 78 34.828 25.255 10.709 1.00 17.62 C ATOM 614 OG SER A 78 34.294 23.948 10.685 1.00 17.80 O ATOM 0 H SER A 78 35.578 27.328 12.397 1.00 17.34 H new ATOM 0 HA SER A 78 33.244 26.294 11.501 1.00 15.98 H new ATOM 0 HB2 SER A 78 34.712 25.669 9.840 1.00 17.62 H new ATOM 0 HB3 SER A 78 35.782 25.213 10.878 1.00 17.62 H new ATOM 0 HG SER A 78 34.915 23.393 10.576 1.00 17.80 H new ATOM 615 N LYS A 79 33.046 24.752 13.454 1.00 15.98 N ATOM 616 CA LYS A 79 32.994 23.879 14.618 1.00 19.92 C ATOM 617 C LYS A 79 33.209 22.412 14.262 1.00 17.27 C ATOM 618 O LYS A 79 33.131 21.552 15.148 1.00 20.63 O ATOM 619 CB LYS A 79 31.660 24.066 15.351 1.00 22.55 C ATOM 620 CG LYS A 79 31.490 25.458 15.924 1.00 29.14 C ATOM 621 CD LYS A 79 30.467 25.484 17.045 1.00 40.46 C ATOM 622 CE LYS A 79 30.387 26.865 17.680 1.00 47.47 C ATOM 623 NZ LYS A 79 31.738 27.390 18.021 1.00 43.54 N ATOM 0 H LYS A 79 32.303 24.824 13.027 1.00 15.98 H new ATOM 0 HA LYS A 79 33.725 24.133 15.203 1.00 19.92 H new ATOM 0 HB2 LYS A 79 30.931 23.883 14.738 1.00 22.55 H new ATOM 0 HB3 LYS A 79 31.597 23.416 16.069 1.00 22.55 H new ATOM 0 HG2 LYS A 79 32.343 25.777 16.257 1.00 29.14 H new ATOM 0 HG3 LYS A 79 31.215 26.066 15.220 1.00 29.14 H new ATOM 0 HD2 LYS A 79 29.596 25.233 16.699 1.00 40.46 H new ATOM 0 HD3 LYS A 79 30.704 24.828 17.719 1.00 40.46 H new ATOM 0 HE2 LYS A 79 29.945 27.477 17.071 1.00 47.47 H new ATOM 0 HE3 LYS A 79 29.844 26.822 18.482 1.00 47.47 H new ATOM 0 HZ1 LYS A 79 31.676 27.937 18.720 1.00 43.54 H new ATOM 0 HZ2 LYS A 79 32.278 26.712 18.223 1.00 43.54 H new ATOM 0 HZ3 LYS A 79 32.068 27.835 17.325 1.00 43.54 H new ATOM 624 N ASN A 80 33.486 22.108 12.997 1.00 17.08 N ATOM 625 CA ASN A 80 33.814 20.742 12.609 1.00 14.83 C ATOM 626 C ASN A 80 35.091 20.292 13.310 1.00 17.50 C ATOM 627 O ASN A 80 36.098 20.998 13.287 1.00 17.35 O ATOM 628 CB ASN A 80 33.982 20.665 11.092 1.00 17.19 C ATOM 629 CG ASN A 80 33.995 19.244 10.581 1.00 18.67 C ATOM 630 OD1 ASN A 80 33.456 18.344 11.217 1.00 22.21 O ATOM 631 ND2 ASN A 80 34.623 19.030 9.429 1.00 20.98 N ATOM 0 H ASN A 80 33.489 22.676 12.351 1.00 17.08 H new ATOM 0 HA ASN A 80 33.092 20.151 12.875 1.00 14.83 H new ATOM 0 HB2 ASN A 80 33.260 21.152 10.665 1.00 17.19 H new ATOM 0 HB3 ASN A 80 34.809 21.104 10.839 1.00 17.19 H new ATOM 0 HD21 ASN A 80 34.663 18.236 9.102 1.00 20.98 H new ATOM 0 HD22 ASN A 80 34.990 19.686 9.011 1.00 20.98 H new ATOM 632 N MET A 81 35.053 19.127 13.956 1.00 17.96 N ATOM 633 CA MET A 81 36.167 18.663 14.787 1.00 18.77 C ATOM 634 C MET A 81 36.391 17.175 14.569 1.00 20.15 C ATOM 635 O MET A 81 36.053 16.343 15.419 1.00 20.19 O ATOM 636 CB MET A 81 35.906 18.981 16.259 1.00 22.82 C ATOM 637 CG MET A 81 37.106 18.757 17.187 1.00 18.34 C ATOM 638 SD MET A 81 38.608 19.615 16.679 1.00 17.73 S ATOM 639 CE MET A 81 38.026 21.307 16.564 1.00 18.32 C ATOM 0 H MET A 81 34.386 18.586 13.926 1.00 17.96 H new ATOM 0 HA MET A 81 36.976 19.131 14.526 1.00 18.77 H new ATOM 0 HB2 MET A 81 35.625 19.906 16.332 1.00 22.82 H new ATOM 0 HB3 MET A 81 35.167 18.435 16.569 1.00 22.82 H new ATOM 0 HG2 MET A 81 36.868 19.046 18.082 1.00 18.34 H new ATOM 0 HG3 MET A 81 37.290 17.806 17.236 1.00 18.34 H new ATOM 0 HE1 MET A 81 38.737 21.913 16.826 1.00 18.32 H new ATOM 0 HE2 MET A 81 37.760 21.497 15.651 1.00 18.32 H new ATOM 0 HE3 MET A 81 37.265 21.429 17.153 1.00 18.32 H new ATOM 640 N PRO A 82 36.981 16.802 13.430 1.00 17.61 N ATOM 641 CA PRO A 82 37.284 15.384 13.194 1.00 17.62 C ATOM 642 C PRO A 82 38.471 14.874 13.988 1.00 18.72 C ATOM 643 O PRO A 82 38.628 13.652 14.114 1.00 20.70 O ATOM 644 CB PRO A 82 37.571 15.334 11.690 1.00 19.96 C ATOM 645 CG PRO A 82 38.101 16.712 11.387 1.00 17.58 C ATOM 646 CD PRO A 82 37.313 17.638 12.259 1.00 15.22 C ATOM 0 HA PRO A 82 36.553 14.813 13.479 1.00 17.62 H new ATOM 0 HB2 PRO A 82 38.220 14.646 11.473 1.00 19.96 H new ATOM 0 HB3 PRO A 82 36.769 15.139 11.180 1.00 19.96 H new ATOM 0 HG2 PRO A 82 39.050 16.772 11.580 1.00 17.58 H new ATOM 0 HG3 PRO A 82 37.987 16.933 10.449 1.00 17.58 H new ATOM 0 HD2 PRO A 82 37.830 18.419 12.512 1.00 15.22 H new ATOM 0 HD3 PRO A 82 36.515 17.959 11.811 1.00 15.22 H new ATOM 647 N PHE A 83 39.306 15.760 14.524 1.00 17.70 N ATOM 648 CA PHE A 83 40.441 15.321 15.322 1.00 16.82 C ATOM 649 C PHE A 83 39.958 14.605 16.575 1.00 15.34 C ATOM 650 O PHE A 83 38.960 14.996 17.188 1.00 18.57 O ATOM 651 CB PHE A 83 41.310 16.515 15.715 1.00 14.46 C ATOM 652 CG PHE A 83 41.812 17.317 14.549 1.00 14.41 C ATOM 653 CD1 PHE A 83 42.998 16.976 13.923 1.00 14.86 C ATOM 654 CD2 PHE A 83 41.114 18.430 14.100 1.00 14.62 C ATOM 655 CE1 PHE A 83 43.475 17.709 12.857 1.00 13.84 C ATOM 656 CE2 PHE A 83 41.578 19.170 13.031 1.00 15.67 C ATOM 657 CZ PHE A 83 42.764 18.814 12.405 1.00 16.40 C ATOM 0 H PHE A 83 39.232 16.612 14.437 1.00 17.70 H new ATOM 0 HA PHE A 83 40.971 14.707 14.789 1.00 16.82 H new ATOM 0 HB2 PHE A 83 40.799 17.097 16.299 1.00 14.46 H new ATOM 0 HB3 PHE A 83 42.070 16.196 16.227 1.00 14.46 H new ATOM 0 HD1 PHE A 83 43.481 16.241 14.226 1.00 14.86 H new ATOM 0 HD2 PHE A 83 40.325 18.680 14.524 1.00 14.62 H new ATOM 0 HE1 PHE A 83 44.270 17.465 12.442 1.00 13.84 H new ATOM 0 HE2 PHE A 83 41.096 19.907 12.731 1.00 15.67 H new ATOM 0 HZ PHE A 83 43.081 19.312 11.687 1.00 16.40 H new ATOM 658 N GLN A 84 40.688 13.563 16.964 1.00 15.65 N ATOM 659 CA GLN A 84 40.312 12.697 18.076 1.00 16.86 C ATOM 660 C GLN A 84 41.262 12.913 19.248 1.00 14.81 C ATOM 661 O GLN A 84 42.484 12.943 19.065 1.00 16.81 O ATOM 662 CB GLN A 84 40.331 11.231 17.638 1.00 19.86 C ATOM 663 CG GLN A 84 39.333 10.931 16.524 1.00 22.39 C ATOM 664 CD GLN A 84 37.909 11.250 16.945 1.00 27.85 C ATOM 665 OE1 GLN A 84 37.410 10.711 17.936 1.00 33.05 O ATOM 666 NE2 GLN A 84 37.258 12.152 16.218 1.00 28.03 N ATOM 0 H GLN A 84 41.425 13.337 16.584 1.00 15.65 H new ATOM 0 HA GLN A 84 39.411 12.921 18.358 1.00 16.86 H new ATOM 0 HB2 GLN A 84 41.224 11.000 17.337 1.00 19.86 H new ATOM 0 HB3 GLN A 84 40.134 10.667 18.403 1.00 19.86 H new ATOM 0 HG2 GLN A 84 39.562 11.449 15.736 1.00 22.39 H new ATOM 0 HG3 GLN A 84 39.396 9.995 16.276 1.00 22.39 H new ATOM 0 HE21 GLN A 84 37.638 12.507 15.533 1.00 28.03 H new ATOM 0 HE22 GLN A 84 36.457 12.380 16.433 1.00 28.03 H new ATOM 667 N ASP A 85 40.688 13.042 20.445 1.00 16.00 N ATOM 668 CA ASP A 85 41.451 13.280 21.668 1.00 14.86 C ATOM 669 C ASP A 85 42.549 12.238 21.847 1.00 18.78 C ATOM 670 O ASP A 85 42.296 11.031 21.782 1.00 19.96 O ATOM 671 CB ASP A 85 40.486 13.255 22.859 1.00 17.10 C ATOM 672 CG ASP A 85 41.037 13.935 24.099 1.00 20.64 C ATOM 673 OD1 ASP A 85 42.216 14.351 24.124 1.00 20.54 O ATOM 674 OD2 ASP A 85 40.271 14.021 25.084 1.00 25.62 O ATOM 0 H ASP A 85 39.838 12.993 20.569 1.00 16.00 H new ATOM 0 HA ASP A 85 41.884 14.146 21.611 1.00 14.86 H new ATOM 0 HB2 ASP A 85 39.656 13.688 22.603 1.00 17.10 H new ATOM 0 HB3 ASP A 85 40.271 12.334 23.073 1.00 17.10 H new ATOM 675 N GLY A 86 43.777 12.711 22.053 1.00 18.24 N ATOM 676 CA GLY A 86 44.910 11.851 22.326 1.00 17.48 C ATOM 677 C GLY A 86 45.515 11.141 21.134 1.00 21.62 C ATOM 678 O GLY A 86 46.483 10.394 21.309 1.00 25.44 O ATOM 0 H GLY A 86 43.971 13.549 22.037 1.00 18.24 H new ATOM 0 HA2 GLY A 86 45.603 12.384 22.747 1.00 17.48 H new ATOM 0 HA3 GLY A 86 44.636 11.182 22.972 1.00 17.48 H new ATOM 679 N GLN A 87 45.006 11.361 19.928 1.00 18.52 N ATOM 680 CA GLN A 87 45.396 10.557 18.780 1.00 21.01 C ATOM 681 C GLN A 87 46.310 11.319 17.827 1.00 21.40 C ATOM 682 O GLN A 87 46.241 12.544 17.707 1.00 19.76 O ATOM 683 CB GLN A 87 44.163 10.079 18.015 1.00 19.57 C ATOM 684 CG GLN A 87 43.171 9.278 18.852 1.00 22.38 C ATOM 685 CD GLN A 87 43.841 8.184 19.659 1.00 30.48 C ATOM 686 OE1 GLN A 87 44.642 7.407 19.132 1.00 31.68 O ATOM 687 NE2 GLN A 87 43.521 8.119 20.948 1.00 33.02 N ATOM 0 H GLN A 87 44.430 11.975 19.754 1.00 18.52 H new ATOM 0 HA GLN A 87 45.886 9.795 19.127 1.00 21.01 H new ATOM 0 HB2 GLN A 87 43.707 10.851 17.644 1.00 19.57 H new ATOM 0 HB3 GLN A 87 44.452 9.534 17.267 1.00 19.57 H new ATOM 0 HG2 GLN A 87 42.702 9.878 19.453 1.00 22.38 H new ATOM 0 HG3 GLN A 87 42.505 8.883 18.268 1.00 22.38 H new ATOM 0 HE21 GLN A 87 42.958 8.678 21.280 1.00 33.02 H new ATOM 0 HE22 GLN A 87 43.877 7.518 21.450 1.00 33.02 H new ATOM 688 N GLU A 88 47.178 10.567 17.156 1.00 17.81 N ATOM 689 CA GLU A 88 47.895 11.081 15.999 1.00 18.18 C ATOM 690 C GLU A 88 46.895 11.435 14.904 1.00 20.73 C ATOM 691 O GLU A 88 45.864 10.776 14.748 1.00 21.88 O ATOM 692 CB GLU A 88 48.891 10.026 15.507 1.00 21.28 C ATOM 693 CG GLU A 88 49.716 10.408 14.296 1.00 28.20 C ATOM 694 CD GLU A 88 50.827 9.408 14.026 1.00 39.95 C ATOM 695 OE1 GLU A 88 50.556 8.369 13.384 1.00 48.39 O ATOM 696 OE2 GLU A 88 51.969 9.657 14.466 1.00 38.27 O ATOM 0 H GLU A 88 47.365 9.752 17.358 1.00 17.81 H new ATOM 0 HA GLU A 88 48.388 11.881 16.240 1.00 18.18 H new ATOM 0 HB2 GLU A 88 49.496 9.813 16.235 1.00 21.28 H new ATOM 0 HB3 GLU A 88 48.401 9.215 15.300 1.00 21.28 H new ATOM 0 HG2 GLU A 88 49.139 10.467 13.518 1.00 28.20 H new ATOM 0 HG3 GLU A 88 50.100 11.288 14.432 1.00 28.20 H new ATOM 697 N PHE A 89 47.182 12.496 14.160 1.00 15.95 N ATOM 698 CA PHE A 89 46.343 12.891 13.039 1.00 15.57 C ATOM 699 C PHE A 89 47.187 12.982 11.777 1.00 16.87 C ATOM 700 O PHE A 89 48.401 13.199 11.825 1.00 15.28 O ATOM 701 CB PHE A 89 45.657 14.248 13.283 1.00 17.00 C ATOM 702 CG PHE A 89 46.625 15.361 13.588 1.00 16.64 C ATOM 703 CD1 PHE A 89 47.253 16.055 12.567 1.00 18.21 C ATOM 704 CD2 PHE A 89 46.918 15.700 14.902 1.00 17.77 C ATOM 705 CE1 PHE A 89 48.150 17.058 12.843 1.00 16.62 C ATOM 706 CE2 PHE A 89 47.815 16.707 15.185 1.00 18.04 C ATOM 707 CZ PHE A 89 48.433 17.391 14.159 1.00 19.18 C ATOM 0 H PHE A 89 47.864 13.004 14.290 1.00 15.95 H new ATOM 0 HA PHE A 89 45.652 12.217 12.939 1.00 15.57 H new ATOM 0 HB2 PHE A 89 45.138 14.486 12.499 1.00 17.00 H new ATOM 0 HB3 PHE A 89 45.033 14.160 14.021 1.00 17.00 H new ATOM 0 HD1 PHE A 89 47.065 15.839 11.682 1.00 18.21 H new ATOM 0 HD2 PHE A 89 46.505 15.243 15.598 1.00 17.77 H new ATOM 0 HE1 PHE A 89 48.567 17.513 12.148 1.00 16.62 H new ATOM 0 HE2 PHE A 89 48.004 16.926 16.069 1.00 18.04 H new ATOM 0 HZ PHE A 89 49.037 18.072 14.349 1.00 19.18 H new ATOM 708 N GLU A 90 46.521 12.843 10.634 1.00 17.05 N ATOM 709 CA GLU A 90 47.121 13.140 9.341 1.00 18.29 C ATOM 710 C GLU A 90 46.299 14.239 8.692 1.00 19.31 C ATOM 711 O GLU A 90 45.082 14.104 8.537 1.00 21.91 O ATOM 712 CB GLU A 90 47.186 11.912 8.435 1.00 22.95 C ATOM 713 CG GLU A 90 47.968 12.186 7.151 1.00 31.01 C ATOM 714 CD GLU A 90 48.118 10.960 6.271 1.00 45.65 C ATOM 715 OE1 GLU A 90 47.724 9.856 6.707 1.00 52.59 O ATOM 716 OE2 GLU A 90 48.630 11.104 5.140 1.00 50.85 O ATOM 0 H GLU A 90 45.706 12.573 10.588 1.00 17.05 H new ATOM 0 HA GLU A 90 48.038 13.426 9.475 1.00 18.29 H new ATOM 0 HB2 GLU A 90 47.602 11.179 8.915 1.00 22.95 H new ATOM 0 HB3 GLU A 90 46.286 11.630 8.210 1.00 22.95 H new ATOM 0 HG2 GLU A 90 47.520 12.885 6.649 1.00 31.01 H new ATOM 0 HG3 GLU A 90 48.848 12.522 7.381 1.00 31.01 H new ATOM 717 N LEU A 91 46.963 15.332 8.356 1.00 16.81 N ATOM 718 CA LEU A 91 46.329 16.528 7.832 1.00 18.84 C ATOM 719 C LEU A 91 46.851 16.739 6.421 1.00 19.31 C ATOM 720 O LEU A 91 48.065 16.718 6.200 1.00 22.74 O ATOM 721 CB LEU A 91 46.650 17.723 8.748 1.00 19.33 C ATOM 722 CG LEU A 91 46.036 19.096 8.497 1.00 27.55 C ATOM 723 CD1 LEU A 91 44.608 19.120 8.990 1.00 27.06 C ATOM 724 CD2 LEU A 91 46.864 20.164 9.215 1.00 24.68 C ATOM 0 H LEU A 91 47.817 15.401 8.428 1.00 16.81 H new ATOM 0 HA LEU A 91 45.363 16.439 7.805 1.00 18.84 H new ATOM 0 HB2 LEU A 91 46.404 17.463 9.650 1.00 19.33 H new ATOM 0 HB3 LEU A 91 47.613 17.837 8.738 1.00 19.33 H new ATOM 0 HG LEU A 91 46.037 19.281 7.545 1.00 27.55 H new ATOM 0 HD11 LEU A 91 44.224 19.996 8.827 1.00 27.06 H new ATOM 0 HD12 LEU A 91 44.091 18.448 8.518 1.00 27.06 H new ATOM 0 HD13 LEU A 91 44.591 18.932 9.941 1.00 27.06 H new ATOM 0 HD21 LEU A 91 46.474 21.038 9.056 1.00 24.68 H new ATOM 0 HD22 LEU A 91 46.871 19.982 10.168 1.00 24.68 H new ATOM 0 HD23 LEU A 91 47.773 20.150 8.877 1.00 24.68 H new ATOM 725 N SER A 92 45.941 16.891 5.462 1.00 16.50 N ATOM 726 CA SER A 92 46.295 17.134 4.073 1.00 17.59 C ATOM 727 C SER A 92 45.657 18.445 3.639 1.00 18.70 C ATOM 728 O SER A 92 44.468 18.664 3.882 1.00 22.49 O ATOM 729 CB SER A 92 45.816 15.976 3.189 1.00 23.71 C ATOM 730 OG SER A 92 46.544 15.903 1.982 1.00 39.42 O ATOM 0 H SER A 92 45.094 16.855 5.604 1.00 16.50 H new ATOM 0 HA SER A 92 47.259 17.194 3.980 1.00 17.59 H new ATOM 0 HB2 SER A 92 45.907 15.140 3.673 1.00 23.71 H new ATOM 0 HB3 SER A 92 44.873 16.088 2.992 1.00 23.71 H new ATOM 0 HG SER A 92 47.012 15.206 1.979 1.00 39.42 H new ATOM 731 N ILE A 93 46.441 19.323 3.018 1.00 15.66 N ATOM 732 CA ILE A 93 45.921 20.578 2.480 1.00 15.59 C ATOM 733 C ILE A 93 46.200 20.575 0.988 1.00 16.20 C ATOM 734 O ILE A 93 47.359 20.673 0.570 1.00 17.12 O ATOM 735 CB ILE A 93 46.537 21.810 3.148 1.00 14.62 C ATOM 736 CG1 ILE A 93 46.316 21.756 4.661 1.00 17.09 C ATOM 737 CG2 ILE A 93 45.932 23.079 2.544 1.00 16.84 C ATOM 738 CD1 ILE A 93 47.169 22.746 5.425 1.00 19.81 C ATOM 0 H ILE A 93 47.285 19.209 2.897 1.00 15.66 H new ATOM 0 HA ILE A 93 44.970 20.635 2.660 1.00 15.59 H new ATOM 0 HB ILE A 93 47.494 21.821 2.988 1.00 14.62 H new ATOM 0 HG12 ILE A 93 45.381 21.929 4.852 1.00 17.09 H new ATOM 0 HG13 ILE A 93 46.509 20.860 4.978 1.00 17.09 H new ATOM 0 HG21 ILE A 93 46.324 23.858 2.969 1.00 16.84 H new ATOM 0 HG22 ILE A 93 46.115 23.104 1.592 1.00 16.84 H new ATOM 0 HG23 ILE A 93 44.973 23.081 2.688 1.00 16.84 H new ATOM 0 HD11 ILE A 93 46.986 22.666 6.374 1.00 19.81 H new ATOM 0 HD12 ILE A 93 48.107 22.561 5.260 1.00 19.81 H new ATOM 0 HD13 ILE A 93 46.961 23.647 5.131 1.00 19.81 H new ATOM 739 N SER A 94 45.143 20.476 0.191 1.00 15.45 N ATOM 740 CA SER A 94 45.257 20.415 -1.257 1.00 18.63 C ATOM 741 C SER A 94 44.916 21.762 -1.868 1.00 16.34 C ATOM 742 O SER A 94 43.968 22.428 -1.442 1.00 16.70 O ATOM 743 CB SER A 94 44.331 19.342 -1.824 1.00 20.07 C ATOM 744 OG SER A 94 44.754 18.063 -1.378 1.00 26.08 O ATOM 0 H SER A 94 44.333 20.442 0.479 1.00 15.45 H new ATOM 0 HA SER A 94 46.173 20.187 -1.481 1.00 18.63 H new ATOM 0 HB2 SER A 94 43.418 19.508 -1.541 1.00 20.07 H new ATOM 0 HB3 SER A 94 44.338 19.375 -2.793 1.00 20.07 H new ATOM 0 HG SER A 94 44.441 17.915 -0.613 1.00 26.08 H new ATOM 745 N VAL A 95 45.693 22.151 -2.873 1.00 15.41 N ATOM 746 CA VAL A 95 45.476 23.401 -3.591 1.00 16.34 C ATOM 747 C VAL A 95 44.593 23.096 -4.796 1.00 17.04 C ATOM 748 O VAL A 95 45.036 22.456 -5.749 1.00 21.73 O ATOM 749 CB VAL A 95 46.802 24.034 -4.018 1.00 16.08 C ATOM 750 CG1 VAL A 95 46.562 25.404 -4.656 1.00 19.32 C ATOM 751 CG2 VAL A 95 47.759 24.123 -2.817 1.00 15.86 C ATOM 0 H VAL A 95 46.364 21.695 -3.159 1.00 15.41 H new ATOM 0 HA VAL A 95 45.039 24.046 -3.013 1.00 16.34 H new ATOM 0 HB VAL A 95 47.220 23.471 -4.688 1.00 16.08 H new ATOM 0 HG11 VAL A 95 47.411 25.791 -4.921 1.00 19.32 H new ATOM 0 HG12 VAL A 95 45.996 25.303 -5.437 1.00 19.32 H new ATOM 0 HG13 VAL A 95 46.127 25.988 -4.015 1.00 19.32 H new ATOM 0 HG21 VAL A 95 48.595 24.525 -3.099 1.00 15.86 H new ATOM 0 HG22 VAL A 95 47.357 24.667 -2.122 1.00 15.86 H new ATOM 0 HG23 VAL A 95 47.929 23.233 -2.472 1.00 15.86 H new ATOM 752 N LEU A 96 43.350 23.534 -4.741 1.00 16.32 N ATOM 753 CA LEU A 96 42.390 23.413 -5.829 1.00 17.26 C ATOM 754 C LEU A 96 42.363 24.713 -6.606 1.00 18.10 C ATOM 755 O LEU A 96 42.917 25.723 -6.170 1.00 17.68 O ATOM 756 CB LEU A 96 41.001 23.078 -5.272 1.00 18.27 C ATOM 757 CG LEU A 96 40.908 21.899 -4.288 1.00 22.24 C ATOM 758 CD1 LEU A 96 39.456 21.556 -3.981 1.00 23.43 C ATOM 759 CD2 LEU A 96 41.656 20.676 -4.790 1.00 28.03 C ATOM 0 H LEU A 96 43.027 23.924 -4.046 1.00 16.32 H new ATOM 0 HA LEU A 96 42.653 22.693 -6.424 1.00 17.26 H new ATOM 0 HB2 LEU A 96 40.655 23.869 -4.829 1.00 18.27 H new ATOM 0 HB3 LEU A 96 40.413 22.893 -6.021 1.00 18.27 H new ATOM 0 HG LEU A 96 41.337 22.182 -3.465 1.00 22.24 H new ATOM 0 HD11 LEU A 96 39.423 20.812 -3.360 1.00 23.43 H new ATOM 0 HD12 LEU A 96 39.018 22.326 -3.585 1.00 23.43 H new ATOM 0 HD13 LEU A 96 39.000 21.312 -4.802 1.00 23.43 H new ATOM 0 HD21 LEU A 96 41.573 19.958 -4.143 1.00 28.03 H new ATOM 0 HD22 LEU A 96 41.280 20.392 -5.638 1.00 28.03 H new ATOM 0 HD23 LEU A 96 42.593 20.896 -4.910 1.00 28.03 H new ATOM 760 N PRO A 97 41.758 24.728 -7.796 1.00 21.22 N ATOM 761 CA PRO A 97 41.738 25.980 -8.568 1.00 22.53 C ATOM 762 C PRO A 97 41.225 27.180 -7.791 1.00 17.86 C ATOM 763 O PRO A 97 41.765 28.284 -7.931 1.00 20.98 O ATOM 764 CB PRO A 97 40.813 25.634 -9.746 1.00 23.81 C ATOM 765 CG PRO A 97 41.007 24.178 -9.937 1.00 24.17 C ATOM 766 CD PRO A 97 41.166 23.608 -8.548 1.00 25.24 C ATOM 0 HA PRO A 97 42.631 26.256 -8.828 1.00 22.53 H new ATOM 0 HB2 PRO A 97 39.888 25.846 -9.546 1.00 23.81 H new ATOM 0 HB3 PRO A 97 41.052 26.132 -10.543 1.00 23.81 H new ATOM 0 HG2 PRO A 97 40.248 23.781 -10.393 1.00 24.17 H new ATOM 0 HG3 PRO A 97 41.790 23.998 -10.480 1.00 24.17 H new ATOM 0 HD2 PRO A 97 40.315 23.334 -8.173 1.00 25.24 H new ATOM 0 HD3 PRO A 97 41.743 22.828 -8.544 1.00 25.24 H new ATOM 767 N ASP A 98 40.198 26.987 -6.967 1.00 16.85 N ATOM 768 CA ASP A 98 39.487 28.080 -6.335 1.00 20.35 C ATOM 769 C ASP A 98 39.663 28.133 -4.827 1.00 16.50 C ATOM 770 O ASP A 98 39.234 29.111 -4.210 1.00 17.69 O ATOM 771 CB ASP A 98 37.983 27.988 -6.655 1.00 22.06 C ATOM 772 CG ASP A 98 37.432 26.568 -6.501 1.00 32.93 C ATOM 773 OD1 ASP A 98 38.226 25.629 -6.262 1.00 34.80 O ATOM 774 OD2 ASP A 98 36.202 26.382 -6.626 1.00 45.04 O ATOM 0 H ASP A 98 39.896 26.209 -6.761 1.00 16.85 H new ATOM 0 HA ASP A 98 39.873 28.892 -6.699 1.00 20.35 H new ATOM 0 HB2 ASP A 98 37.494 28.586 -6.068 1.00 22.06 H new ATOM 0 HB3 ASP A 98 37.830 28.294 -7.563 1.00 22.06 H new ATOM 775 N LYS A 99 40.276 27.119 -4.218 1.00 18.37 N ATOM 776 CA LYS A 99 40.241 27.016 -2.766 1.00 16.33 C ATOM 777 C LYS A 99 41.318 26.053 -2.301 1.00 14.14 C ATOM 778 O LYS A 99 41.883 25.296 -3.084 1.00 13.79 O ATOM 779 CB LYS A 99 38.870 26.533 -2.284 1.00 19.49 C ATOM 780 CG LYS A 99 38.623 25.060 -2.635 1.00 20.63 C ATOM 781 CD LYS A 99 37.179 24.648 -2.431 1.00 22.21 C ATOM 782 CE LYS A 99 36.315 25.049 -3.607 1.00 34.05 C ATOM 783 NZ LYS A 99 34.963 24.446 -3.506 1.00 34.23 N ATOM 0 H LYS A 99 40.708 26.494 -4.620 1.00 18.37 H new ATOM 0 HA LYS A 99 40.403 27.895 -2.390 1.00 16.33 H new ATOM 0 HB2 LYS A 99 38.806 26.651 -1.323 1.00 19.49 H new ATOM 0 HB3 LYS A 99 38.176 27.081 -2.684 1.00 19.49 H new ATOM 0 HG2 LYS A 99 38.873 24.905 -3.559 1.00 20.63 H new ATOM 0 HG3 LYS A 99 39.196 24.500 -2.088 1.00 20.63 H new ATOM 0 HD2 LYS A 99 37.130 23.687 -2.305 1.00 22.21 H new ATOM 0 HD3 LYS A 99 36.836 25.058 -1.622 1.00 22.21 H new ATOM 0 HE2 LYS A 99 36.240 26.015 -3.642 1.00 34.05 H new ATOM 0 HE3 LYS A 99 36.737 24.767 -4.434 1.00 34.05 H new ATOM 0 HZ1 LYS A 99 34.357 25.025 -3.805 1.00 34.23 H new ATOM 0 HZ2 LYS A 99 34.931 23.704 -3.996 1.00 34.23 H new ATOM 0 HZ3 LYS A 99 34.789 24.247 -2.656 1.00 34.23 H new ATOM 784 N TYR A 100 41.590 26.094 -0.996 1.00 14.93 N ATOM 785 CA TYR A 100 42.297 25.016 -0.326 1.00 14.99 C ATOM 786 C TYR A 100 41.277 24.043 0.231 1.00 14.74 C ATOM 787 O TYR A 100 40.246 24.452 0.769 1.00 16.21 O ATOM 788 CB TYR A 100 43.157 25.535 0.829 1.00 14.79 C ATOM 789 CG TYR A 100 44.237 26.484 0.418 1.00 11.64 C ATOM 790 CD1 TYR A 100 45.426 26.015 -0.116 1.00 13.83 C ATOM 791 CD2 TYR A 100 44.073 27.860 0.574 1.00 13.31 C ATOM 792 CE1 TYR A 100 46.431 26.884 -0.497 1.00 14.00 C ATOM 793 CE2 TYR A 100 45.073 28.735 0.203 1.00 12.90 C ATOM 794 CZ TYR A 100 46.244 28.241 -0.330 1.00 13.99 C ATOM 795 OH TYR A 100 47.231 29.108 -0.704 1.00 15.63 O ATOM 0 H TYR A 100 41.369 26.746 -0.481 1.00 14.93 H new ATOM 0 HA TYR A 100 42.881 24.587 -0.971 1.00 14.99 H new ATOM 0 HB2 TYR A 100 42.582 25.977 1.473 1.00 14.79 H new ATOM 0 HB3 TYR A 100 43.561 24.779 1.282 1.00 14.79 H new ATOM 0 HD1 TYR A 100 45.550 25.099 -0.220 1.00 13.83 H new ATOM 0 HD2 TYR A 100 43.281 28.191 0.932 1.00 13.31 H new ATOM 0 HE1 TYR A 100 47.223 26.559 -0.861 1.00 14.00 H new ATOM 0 HE2 TYR A 100 44.958 29.651 0.312 1.00 12.90 H new ATOM 0 HH TYR A 100 47.664 28.780 -1.345 1.00 15.63 H new ATOM 796 N GLN A 101 41.578 22.754 0.123 1.00 15.77 N ATOM 797 CA GLN A 101 40.764 21.725 0.751 1.00 14.06 C ATOM 798 C GLN A 101 41.586 21.015 1.814 1.00 13.57 C ATOM 799 O GLN A 101 42.668 20.502 1.521 1.00 14.92 O ATOM 800 CB GLN A 101 40.272 20.722 -0.276 1.00 17.48 C ATOM 801 CG GLN A 101 39.536 19.578 0.358 1.00 25.09 C ATOM 802 CD GLN A 101 38.703 18.838 -0.638 1.00 24.88 C ATOM 803 OE1 GLN A 101 37.513 18.612 -0.417 1.00 28.91 O ATOM 804 NE2 GLN A 101 39.316 18.468 -1.757 1.00 25.03 N ATOM 0 H GLN A 101 42.255 22.454 -0.314 1.00 15.77 H new ATOM 0 HA GLN A 101 39.990 22.144 1.159 1.00 14.06 H new ATOM 0 HB2 GLN A 101 39.689 21.169 -0.909 1.00 17.48 H new ATOM 0 HB3 GLN A 101 41.027 20.380 -0.779 1.00 17.48 H new ATOM 0 HG2 GLN A 101 40.172 18.969 0.765 1.00 25.09 H new ATOM 0 HG3 GLN A 101 38.969 19.913 1.070 1.00 25.09 H new ATOM 0 HE21 GLN A 101 40.150 18.647 -1.870 1.00 25.03 H new ATOM 0 HE22 GLN A 101 38.879 18.050 -2.369 1.00 25.03 H new ATOM 805 N VAL A 102 41.064 20.971 3.036 1.00 14.15 N ATOM 806 CA VAL A 102 41.754 20.365 4.170 1.00 14.99 C ATOM 807 C VAL A 102 41.095 19.026 4.482 1.00 15.54 C ATOM 808 O VAL A 102 39.914 18.978 4.839 1.00 15.77 O ATOM 809 CB VAL A 102 41.728 21.282 5.402 1.00 13.86 C ATOM 810 CG1 VAL A 102 42.547 20.657 6.521 1.00 16.60 C ATOM 811 CG2 VAL A 102 42.272 22.667 5.055 1.00 18.52 C ATOM 0 H VAL A 102 40.292 21.295 3.232 1.00 14.15 H new ATOM 0 HA VAL A 102 42.686 20.229 3.938 1.00 14.99 H new ATOM 0 HB VAL A 102 40.810 21.384 5.698 1.00 13.86 H new ATOM 0 HG11 VAL A 102 42.530 21.237 7.298 1.00 16.60 H new ATOM 0 HG12 VAL A 102 42.171 19.794 6.754 1.00 16.60 H new ATOM 0 HG13 VAL A 102 43.464 20.541 6.225 1.00 16.60 H new ATOM 0 HG21 VAL A 102 42.248 23.231 5.844 1.00 18.52 H new ATOM 0 HG22 VAL A 102 43.187 22.587 4.743 1.00 18.52 H new ATOM 0 HG23 VAL A 102 41.727 23.064 4.358 1.00 18.52 H new ATOM 812 N MET A 103 41.860 17.948 4.350 1.00 15.00 N ATOM 813 CA MET A 103 41.427 16.619 4.754 1.00 15.94 C ATOM 814 C MET A 103 42.064 16.269 6.090 1.00 17.64 C ATOM 815 O MET A 103 43.249 16.536 6.312 1.00 16.69 O ATOM 816 CB MET A 103 41.819 15.564 3.717 1.00 18.70 C ATOM 817 CG MET A 103 41.696 15.987 2.271 1.00 25.20 C ATOM 818 SD MET A 103 40.005 15.923 1.665 1.00 27.22 S ATOM 819 CE MET A 103 39.722 14.152 1.608 1.00 24.76 C ATOM 0 H MET A 103 42.654 17.969 4.019 1.00 15.00 H new ATOM 0 HA MET A 103 40.460 16.625 4.830 1.00 15.94 H new ATOM 0 HB2 MET A 103 42.737 15.298 3.882 1.00 18.70 H new ATOM 0 HB3 MET A 103 41.267 14.778 3.855 1.00 18.70 H new ATOM 0 HG2 MET A 103 42.036 16.890 2.173 1.00 25.20 H new ATOM 0 HG3 MET A 103 42.253 15.413 1.722 1.00 25.20 H new ATOM 0 HE1 MET A 103 38.969 13.963 1.026 1.00 24.76 H new ATOM 0 HE2 MET A 103 40.514 13.708 1.266 1.00 24.76 H new ATOM 0 HE3 MET A 103 39.529 13.826 2.501 1.00 24.76 H new ATOM 820 N VAL A 104 41.277 15.667 6.973 1.00 13.90 N ATOM 821 CA VAL A 104 41.767 15.196 8.261 1.00 15.10 C ATOM 822 C VAL A 104 41.499 13.708 8.315 1.00 16.91 C ATOM 823 O VAL A 104 40.337 13.285 8.259 1.00 16.45 O ATOM 824 CB VAL A 104 41.092 15.916 9.435 1.00 15.88 C ATOM 825 CG1 VAL A 104 41.613 15.370 10.759 1.00 16.04 C ATOM 826 CG2 VAL A 104 41.326 17.417 9.343 1.00 15.69 C ATOM 0 H VAL A 104 40.440 15.520 6.841 1.00 13.90 H new ATOM 0 HA VAL A 104 42.715 15.385 8.344 1.00 15.10 H new ATOM 0 HB VAL A 104 40.137 15.754 9.391 1.00 15.88 H new ATOM 0 HG11 VAL A 104 41.179 15.833 11.493 1.00 16.04 H new ATOM 0 HG12 VAL A 104 41.420 14.421 10.816 1.00 16.04 H new ATOM 0 HG13 VAL A 104 42.572 15.508 10.812 1.00 16.04 H new ATOM 0 HG21 VAL A 104 40.894 17.858 10.091 1.00 15.69 H new ATOM 0 HG22 VAL A 104 42.279 17.598 9.367 1.00 15.69 H new ATOM 0 HG23 VAL A 104 40.955 17.752 8.512 1.00 15.69 H new ATOM 827 N ASN A 105 42.565 12.918 8.429 1.00 17.04 N ATOM 828 CA ASN A 105 42.437 11.466 8.504 1.00 16.25 C ATOM 829 C ASN A 105 41.597 10.940 7.342 1.00 20.15 C ATOM 830 O ASN A 105 40.753 10.057 7.504 1.00 22.37 O ATOM 831 CB ASN A 105 41.858 11.047 9.855 1.00 16.77 C ATOM 832 CG ASN A 105 42.726 11.498 11.022 1.00 19.42 C ATOM 833 OD1 ASN A 105 43.953 11.569 10.905 1.00 21.68 O ATOM 834 ND2 ASN A 105 42.097 11.790 12.149 1.00 21.65 N ATOM 0 H ASN A 105 43.375 13.206 8.465 1.00 17.04 H new ATOM 0 HA ASN A 105 43.320 11.071 8.429 1.00 16.25 H new ATOM 0 HB2 ASN A 105 40.968 11.421 9.953 1.00 16.77 H new ATOM 0 HB3 ASN A 105 41.764 10.082 9.879 1.00 16.77 H new ATOM 0 HD21 ASN A 105 42.545 12.041 12.839 1.00 21.65 H new ATOM 0 HD22 ASN A 105 41.240 11.728 12.192 1.00 21.65 H new ATOM 835 N GLY A 106 41.813 11.521 6.163 1.00 20.35 N ATOM 836 CA GLY A 106 41.176 11.079 4.938 1.00 20.27 C ATOM 837 C GLY A 106 39.802 11.649 4.665 1.00 26.13 C ATOM 838 O GLY A 106 39.202 11.312 3.632 1.00 26.71 O ATOM 0 H GLY A 106 42.341 12.191 6.057 1.00 20.35 H new ATOM 0 HA2 GLY A 106 41.755 11.305 4.193 1.00 20.27 H new ATOM 0 HA3 GLY A 106 41.107 10.112 4.960 1.00 20.27 H new ATOM 839 N GLN A 107 39.283 12.503 5.535 1.00 18.66 N ATOM 840 CA GLN A 107 37.939 13.045 5.390 1.00 21.67 C ATOM 841 C GLN A 107 38.004 14.537 5.087 1.00 22.41 C ATOM 842 O GLN A 107 38.680 15.289 5.789 1.00 16.74 O ATOM 843 CB GLN A 107 37.117 12.800 6.660 1.00 25.50 C ATOM 844 CG GLN A 107 35.684 13.290 6.549 1.00 35.33 C ATOM 845 CD GLN A 107 34.871 13.111 7.827 1.00 43.37 C ATOM 846 OE1 GLN A 107 33.690 12.761 7.775 1.00 53.09 O ATOM 847 NE2 GLN A 107 35.498 13.344 8.977 1.00 38.19 N ATOM 0 H GLN A 107 39.702 12.787 6.230 1.00 18.66 H new ATOM 0 HA GLN A 107 37.504 12.592 4.651 1.00 21.67 H new ATOM 0 HB2 GLN A 107 37.113 11.850 6.858 1.00 25.50 H new ATOM 0 HB3 GLN A 107 37.547 13.244 7.407 1.00 25.50 H new ATOM 0 HG2 GLN A 107 35.690 14.230 6.309 1.00 35.33 H new ATOM 0 HG3 GLN A 107 35.244 12.815 5.827 1.00 35.33 H new ATOM 0 HE21 GLN A 107 36.323 13.587 8.975 1.00 38.19 H new ATOM 0 HE22 GLN A 107 35.078 13.252 9.722 1.00 38.19 H new ATOM 848 N SER A 108 37.295 14.966 4.051 1.00 17.36 N ATOM 849 CA SER A 108 37.206 16.391 3.752 1.00 16.20 C ATOM 850 C SER A 108 36.553 17.123 4.913 1.00 18.00 C ATOM 851 O SER A 108 35.444 16.773 5.332 1.00 16.80 O ATOM 852 CB SER A 108 36.407 16.607 2.459 1.00 16.96 C ATOM 853 OG SER A 108 36.313 17.986 2.161 1.00 20.26 O ATOM 0 H SER A 108 36.861 14.455 3.512 1.00 17.36 H new ATOM 0 HA SER A 108 38.099 16.747 3.625 1.00 16.20 H new ATOM 0 HB2 SER A 108 36.836 16.140 1.725 1.00 16.96 H new ATOM 0 HB3 SER A 108 35.519 16.230 2.554 1.00 16.96 H new ATOM 0 HG SER A 108 36.668 18.136 1.415 1.00 20.26 H new ATOM 854 N SER A 109 37.247 18.136 5.444 1.00 14.73 N ATOM 855 CA SER A 109 36.827 18.742 6.699 1.00 14.68 C ATOM 856 C SER A 109 36.694 20.262 6.664 1.00 12.20 C ATOM 857 O SER A 109 35.870 20.815 7.396 1.00 14.10 O ATOM 858 CB SER A 109 37.805 18.348 7.809 1.00 13.59 C ATOM 859 OG SER A 109 37.864 16.940 7.948 1.00 16.75 O ATOM 0 H SER A 109 37.954 18.479 5.094 1.00 14.73 H new ATOM 0 HA SER A 109 35.935 18.400 6.869 1.00 14.68 H new ATOM 0 HB2 SER A 109 38.688 18.695 7.607 1.00 13.59 H new ATOM 0 HB3 SER A 109 37.528 18.749 8.648 1.00 13.59 H new ATOM 0 HG SER A 109 38.172 16.601 7.244 1.00 16.75 H new ATOM 860 N TYR A 110 37.502 20.948 5.855 1.00 13.81 N ATOM 861 CA TYR A 110 37.455 22.408 5.772 1.00 14.41 C ATOM 862 C TYR A 110 37.839 22.830 4.361 1.00 12.52 C ATOM 863 O TYR A 110 38.639 22.161 3.708 1.00 14.63 O ATOM 864 CB TYR A 110 38.407 23.097 6.774 1.00 14.24 C ATOM 865 CG TYR A 110 38.387 22.476 8.148 1.00 13.07 C ATOM 866 CD1 TYR A 110 37.452 22.865 9.089 1.00 16.17 C ATOM 867 CD2 TYR A 110 39.294 21.478 8.488 1.00 12.75 C ATOM 868 CE1 TYR A 110 37.402 22.276 10.342 1.00 13.19 C ATOM 869 CE2 TYR A 110 39.259 20.887 9.734 1.00 14.39 C ATOM 870 CZ TYR A 110 38.315 21.294 10.658 1.00 12.28 C ATOM 871 OH TYR A 110 38.283 20.705 11.898 1.00 16.51 O ATOM 0 H TYR A 110 38.088 20.583 5.343 1.00 13.81 H new ATOM 0 HA TYR A 110 36.552 22.683 5.994 1.00 14.41 H new ATOM 0 HB2 TYR A 110 39.311 23.064 6.425 1.00 14.24 H new ATOM 0 HB3 TYR A 110 38.165 24.034 6.847 1.00 14.24 H new ATOM 0 HD1 TYR A 110 36.844 23.536 8.877 1.00 16.17 H new ATOM 0 HD2 TYR A 110 39.932 21.206 7.868 1.00 12.75 H new ATOM 0 HE1 TYR A 110 36.761 22.540 10.962 1.00 13.19 H new ATOM 0 HE2 TYR A 110 39.868 20.218 9.951 1.00 14.39 H new ATOM 0 HH TYR A 110 37.552 20.881 12.273 1.00 16.51 H new ATOM 872 N THR A 111 37.279 23.954 3.903 1.00 18.07 N ATOM 873 CA THR A 111 37.756 24.595 2.681 1.00 15.45 C ATOM 874 C THR A 111 37.881 26.097 2.905 1.00 15.84 C ATOM 875 O THR A 111 37.268 26.673 3.804 1.00 18.56 O ATOM 876 CB THR A 111 36.853 24.346 1.451 1.00 21.51 C ATOM 877 OG1 THR A 111 35.550 24.889 1.689 1.00 30.46 O ATOM 878 CG2 THR A 111 36.752 22.860 1.137 1.00 21.77 C ATOM 0 H THR A 111 36.624 24.358 4.287 1.00 18.07 H new ATOM 0 HA THR A 111 38.617 24.194 2.485 1.00 15.45 H new ATOM 0 HB THR A 111 37.251 24.788 0.685 1.00 21.51 H new ATOM 0 HG1 THR A 111 35.034 24.664 1.065 1.00 30.46 H new ATOM 0 HG21 THR A 111 36.181 22.731 0.363 1.00 21.77 H new ATOM 0 HG22 THR A 111 37.636 22.508 0.949 1.00 21.77 H new ATOM 0 HG23 THR A 111 36.374 22.393 1.899 1.00 21.77 H new ATOM 879 N PHE A 112 38.693 26.727 2.061 1.00 17.10 N ATOM 880 CA PHE A 112 39.020 28.145 2.200 1.00 16.15 C ATOM 881 C PHE A 112 39.297 28.681 0.801 1.00 14.37 C ATOM 882 O PHE A 112 40.274 28.278 0.164 1.00 15.11 O ATOM 883 CB PHE A 112 40.226 28.323 3.118 1.00 15.92 C ATOM 884 CG PHE A 112 40.577 29.755 3.429 1.00 14.20 C ATOM 885 CD1 PHE A 112 40.007 30.403 4.508 1.00 15.44 C ATOM 886 CD2 PHE A 112 41.525 30.432 2.677 1.00 14.48 C ATOM 887 CE1 PHE A 112 40.354 31.715 4.816 1.00 17.24 C ATOM 888 CE2 PHE A 112 41.885 31.746 2.998 1.00 14.79 C ATOM 889 CZ PHE A 112 41.296 32.378 4.056 1.00 15.34 C ATOM 0 H PHE A 112 39.071 26.344 1.390 1.00 17.10 H new ATOM 0 HA PHE A 112 38.287 28.636 2.603 1.00 16.15 H new ATOM 0 HB2 PHE A 112 40.054 27.857 3.951 1.00 15.92 H new ATOM 0 HB3 PHE A 112 40.995 27.896 2.708 1.00 15.92 H new ATOM 0 HD1 PHE A 112 39.384 29.957 5.035 1.00 15.44 H new ATOM 0 HD2 PHE A 112 41.926 30.009 1.952 1.00 14.48 H new ATOM 0 HE1 PHE A 112 39.951 32.146 5.535 1.00 17.24 H new ATOM 0 HE2 PHE A 112 42.526 32.189 2.490 1.00 14.79 H new ATOM 0 HZ PHE A 112 41.529 33.254 4.264 1.00 15.34 H new ATOM 890 N ASP A 113 38.426 29.569 0.321 1.00 17.60 N ATOM 891 CA ASP A 113 38.605 30.149 -1.006 1.00 18.92 C ATOM 892 C ASP A 113 39.883 30.980 -1.064 1.00 16.15 C ATOM 893 O ASP A 113 40.231 31.684 -0.110 1.00 17.15 O ATOM 894 CB ASP A 113 37.405 31.025 -1.367 1.00 21.43 C ATOM 895 CG ASP A 113 36.150 30.221 -1.652 1.00 31.45 C ATOM 896 OD1 ASP A 113 36.254 29.007 -1.923 1.00 27.23 O ATOM 897 OD2 ASP A 113 35.051 30.814 -1.607 1.00 30.84 O ATOM 0 H ASP A 113 37.731 29.846 0.745 1.00 17.60 H new ATOM 0 HA ASP A 113 38.675 29.423 -1.646 1.00 18.92 H new ATOM 0 HB2 ASP A 113 37.230 31.641 -0.639 1.00 21.43 H new ATOM 0 HB3 ASP A 113 37.624 31.560 -2.146 1.00 21.43 H new ATOM 898 N HIS A 114 40.579 30.906 -2.197 1.00 15.66 N ATOM 899 CA HIS A 114 41.784 31.709 -2.372 1.00 13.39 C ATOM 900 C HIS A 114 41.451 33.191 -2.306 1.00 17.64 C ATOM 901 O HIS A 114 40.556 33.680 -3.004 1.00 19.64 O ATOM 902 CB HIS A 114 42.462 31.397 -3.702 1.00 16.73 C ATOM 903 CG HIS A 114 42.957 29.992 -3.811 1.00 16.95 C ATOM 904 ND1 HIS A 114 43.728 29.398 -2.835 1.00 15.96 N ATOM 905 CD2 HIS A 114 42.792 29.063 -4.780 1.00 16.32 C ATOM 906 CE1 HIS A 114 44.015 28.160 -3.198 1.00 16.04 C ATOM 907 NE2 HIS A 114 43.457 27.931 -4.376 1.00 17.09 N ATOM 0 H HIS A 114 40.374 30.405 -2.866 1.00 15.66 H new ATOM 0 HA HIS A 114 42.394 31.486 -1.652 1.00 13.39 H new ATOM 0 HB2 HIS A 114 41.835 31.567 -4.423 1.00 16.73 H new ATOM 0 HB3 HIS A 114 43.208 32.004 -3.826 1.00 16.73 H new ATOM 0 HD2 HIS A 114 42.317 29.171 -5.572 1.00 16.32 H new ATOM 0 HE1 HIS A 114 44.523 27.553 -2.709 1.00 16.04 H new ATOM 0 HE2 HIS A 114 43.503 27.194 -4.817 1.00 17.09 H new ATOM 908 N ARG A 115 42.183 33.901 -1.459 1.00 14.42 N ATOM 909 CA ARG A 115 42.135 35.353 -1.408 1.00 14.55 C ATOM 910 C ARG A 115 43.299 35.972 -2.147 1.00 17.64 C ATOM 911 O ARG A 115 43.193 37.103 -2.633 1.00 20.46 O ATOM 912 CB ARG A 115 42.147 35.828 0.041 1.00 17.13 C ATOM 913 CG ARG A 115 41.015 35.247 0.839 1.00 16.27 C ATOM 914 CD ARG A 115 41.040 35.742 2.265 1.00 14.40 C ATOM 915 NE ARG A 115 39.875 35.245 2.986 1.00 14.93 N ATOM 916 CZ ARG A 115 39.677 35.415 4.285 1.00 15.10 C ATOM 917 NH1 ARG A 115 40.566 36.081 5.002 1.00 15.88 N ATOM 918 NH2 ARG A 115 38.582 34.927 4.860 1.00 16.17 N ATOM 0 H ARG A 115 42.726 33.550 -0.893 1.00 14.42 H new ATOM 0 HA ARG A 115 41.313 35.634 -1.840 1.00 14.55 H new ATOM 0 HB2 ARG A 115 42.990 35.582 0.453 1.00 17.13 H new ATOM 0 HB3 ARG A 115 42.092 36.796 0.063 1.00 17.13 H new ATOM 0 HG2 ARG A 115 40.170 35.485 0.426 1.00 16.27 H new ATOM 0 HG3 ARG A 115 41.073 34.279 0.829 1.00 16.27 H new ATOM 0 HD2 ARG A 115 41.852 35.445 2.704 1.00 14.40 H new ATOM 0 HD3 ARG A 115 41.049 36.712 2.278 1.00 14.40 H new ATOM 0 HE ARG A 115 39.279 34.814 2.540 1.00 14.93 H new ATOM 0 HH11 ARG A 115 41.269 36.402 4.625 1.00 15.88 H new ATOM 0 HH12 ARG A 115 40.441 36.193 5.845 1.00 15.88 H new ATOM 0 HH21 ARG A 115 38.002 34.501 4.389 1.00 16.17 H new ATOM 0 HH22 ARG A 115 38.453 35.037 5.703 1.00 16.17 H new ATOM 919 N ILE A 116 44.387 35.219 -2.225 1.00 15.78 N ATOM 920 CA ILE A 116 45.619 35.552 -2.921 1.00 16.87 C ATOM 921 C ILE A 116 46.012 34.295 -3.681 1.00 19.93 C ATOM 922 O ILE A 116 45.749 33.177 -3.224 1.00 18.44 O ATOM 923 CB ILE A 116 46.727 35.961 -1.926 1.00 17.33 C ATOM 924 CG1 ILE A 116 46.304 37.170 -1.095 1.00 17.76 C ATOM 925 CG2 ILE A 116 48.066 36.198 -2.619 1.00 16.94 C ATOM 926 CD1 ILE A 116 47.023 37.237 0.232 1.00 17.20 C ATOM 0 H ILE A 116 44.427 34.448 -1.847 1.00 15.78 H new ATOM 0 HA ILE A 116 45.496 36.308 -3.517 1.00 16.87 H new ATOM 0 HB ILE A 116 46.855 35.215 -1.320 1.00 17.33 H new ATOM 0 HG12 ILE A 116 46.480 37.981 -1.597 1.00 17.76 H new ATOM 0 HG13 ILE A 116 45.347 37.134 -0.940 1.00 17.76 H new ATOM 0 HG21 ILE A 116 48.731 36.452 -1.960 1.00 16.94 H new ATOM 0 HG22 ILE A 116 48.348 35.384 -3.066 1.00 16.94 H new ATOM 0 HG23 ILE A 116 47.971 36.909 -3.272 1.00 16.94 H new ATOM 0 HD11 ILE A 116 46.724 38.018 0.723 1.00 17.20 H new ATOM 0 HD12 ILE A 116 46.829 36.438 0.746 1.00 17.20 H new ATOM 0 HD13 ILE A 116 47.979 37.298 0.080 1.00 17.20 H new ATOM 927 N LYS A 117 46.625 34.471 -4.848 1.00 17.94 N ATOM 928 CA LYS A 117 47.072 33.317 -5.619 1.00 17.38 C ATOM 929 C LYS A 117 48.010 32.447 -4.783 1.00 17.11 C ATOM 930 O LYS A 117 48.898 32.963 -4.096 1.00 17.33 O ATOM 931 CB LYS A 117 47.780 33.767 -6.905 1.00 20.67 C ATOM 932 CG LYS A 117 49.065 34.559 -6.656 1.00 26.89 C ATOM 933 CD LYS A 117 49.860 34.826 -7.920 1.00 33.53 C ATOM 934 CE LYS A 117 50.699 36.086 -7.773 1.00 32.97 C ATOM 935 NZ LYS A 117 51.855 35.907 -6.844 1.00 42.13 N ATOM 0 H LYS A 117 46.789 35.236 -5.205 1.00 17.94 H new ATOM 0 HA LYS A 117 46.292 32.794 -5.861 1.00 17.38 H new ATOM 0 HB2 LYS A 117 47.990 32.985 -7.439 1.00 20.67 H new ATOM 0 HB3 LYS A 117 47.170 34.312 -7.427 1.00 20.67 H new ATOM 0 HG2 LYS A 117 48.840 35.405 -6.238 1.00 26.89 H new ATOM 0 HG3 LYS A 117 49.621 34.072 -6.028 1.00 26.89 H new ATOM 0 HD2 LYS A 117 50.436 34.069 -8.111 1.00 33.53 H new ATOM 0 HD3 LYS A 117 49.256 34.920 -8.673 1.00 33.53 H new ATOM 0 HE2 LYS A 117 51.029 36.353 -8.645 1.00 32.97 H new ATOM 0 HE3 LYS A 117 50.137 36.807 -7.449 1.00 32.97 H new ATOM 0 HZ1 LYS A 117 52.518 36.449 -7.086 1.00 42.13 H new ATOM 0 HZ2 LYS A 117 51.601 36.102 -6.013 1.00 42.13 H new ATOM 0 HZ3 LYS A 117 52.136 35.063 -6.878 1.00 42.13 H new ATOM 936 N PRO A 118 47.851 31.125 -4.815 1.00 16.40 N ATOM 937 CA PRO A 118 48.784 30.253 -4.076 1.00 16.86 C ATOM 938 C PRO A 118 50.227 30.406 -4.522 1.00 17.19 C ATOM 939 O PRO A 118 51.142 30.101 -3.745 1.00 15.57 O ATOM 940 CB PRO A 118 48.256 28.840 -4.360 1.00 20.57 C ATOM 941 CG PRO A 118 46.854 29.028 -4.870 1.00 26.46 C ATOM 942 CD PRO A 118 46.778 30.378 -5.494 1.00 19.18 C ATOM 0 HA PRO A 118 48.809 30.474 -3.132 1.00 16.86 H new ATOM 0 HB2 PRO A 118 48.808 28.387 -5.016 1.00 20.57 H new ATOM 0 HB3 PRO A 118 48.265 28.296 -3.557 1.00 20.57 H new ATOM 0 HG2 PRO A 118 46.632 28.341 -5.517 1.00 26.46 H new ATOM 0 HG3 PRO A 118 46.215 28.952 -4.145 1.00 26.46 H new ATOM 0 HD2 PRO A 118 46.921 30.338 -6.453 1.00 19.18 H new ATOM 0 HD3 PRO A 118 45.911 30.789 -5.353 1.00 19.18 H new ATOM 943 N GLU A 119 50.460 30.892 -5.744 1.00 16.77 N ATOM 944 CA GLU A 119 51.814 31.145 -6.211 1.00 18.12 C ATOM 945 C GLU A 119 52.548 32.189 -5.378 1.00 17.80 C ATOM 946 O GLU A 119 53.774 32.292 -5.482 1.00 19.19 O ATOM 947 CB GLU A 119 51.775 31.587 -7.677 1.00 20.67 C ATOM 948 CG GLU A 119 51.475 30.457 -8.648 1.00 23.88 C ATOM 949 CD GLU A 119 50.008 30.047 -8.694 1.00 28.48 C ATOM 950 OE1 GLU A 119 49.143 30.775 -8.166 1.00 22.34 O ATOM 951 OE2 GLU A 119 49.716 28.990 -9.297 1.00 37.19 O ATOM 0 H GLU A 119 49.844 31.080 -6.314 1.00 16.77 H new ATOM 0 HA GLU A 119 52.307 30.315 -6.118 1.00 18.12 H new ATOM 0 HB2 GLU A 119 51.103 32.279 -7.780 1.00 20.67 H new ATOM 0 HB3 GLU A 119 52.629 31.984 -7.910 1.00 20.67 H new ATOM 0 HG2 GLU A 119 51.753 30.726 -9.537 1.00 23.88 H new ATOM 0 HG3 GLU A 119 52.009 29.685 -8.405 1.00 23.88 H new ATOM 952 N ALA A 120 51.835 32.968 -4.555 1.00 16.46 N ATOM 953 CA ALA A 120 52.484 33.920 -3.670 1.00 16.27 C ATOM 954 C ALA A 120 53.153 33.256 -2.475 1.00 14.57 C ATOM 955 O ALA A 120 53.954 33.908 -1.798 1.00 15.80 O ATOM 956 CB ALA A 120 51.474 34.953 -3.165 1.00 15.85 C ATOM 0 H ALA A 120 50.977 32.955 -4.500 1.00 16.46 H new ATOM 0 HA ALA A 120 53.176 34.352 -4.195 1.00 16.27 H new ATOM 0 HB1 ALA A 120 51.920 35.581 -2.576 1.00 15.85 H new ATOM 0 HB2 ALA A 120 51.095 35.431 -3.919 1.00 15.85 H new ATOM 0 HB3 ALA A 120 50.766 34.503 -2.679 1.00 15.85 H new ATOM 957 N VAL A 121 52.858 31.983 -2.212 1.00 13.10 N ATOM 958 CA VAL A 121 53.421 31.321 -1.041 1.00 12.95 C ATOM 959 C VAL A 121 54.895 31.017 -1.268 1.00 15.34 C ATOM 960 O VAL A 121 55.293 30.537 -2.336 1.00 16.41 O ATOM 961 CB VAL A 121 52.634 30.044 -0.722 1.00 13.36 C ATOM 962 CG1 VAL A 121 53.336 29.238 0.369 1.00 15.48 C ATOM 963 CG2 VAL A 121 51.222 30.400 -0.292 1.00 14.43 C ATOM 0 H VAL A 121 52.341 31.492 -2.693 1.00 13.10 H new ATOM 0 HA VAL A 121 53.350 31.915 -0.277 1.00 12.95 H new ATOM 0 HB VAL A 121 52.591 29.497 -1.522 1.00 13.36 H new ATOM 0 HG11 VAL A 121 52.825 28.435 0.558 1.00 15.48 H new ATOM 0 HG12 VAL A 121 54.225 28.992 0.069 1.00 15.48 H new ATOM 0 HG13 VAL A 121 53.404 29.774 1.174 1.00 15.48 H new ATOM 0 HG21 VAL A 121 50.730 29.588 -0.092 1.00 14.43 H new ATOM 0 HG22 VAL A 121 51.256 30.960 0.499 1.00 14.43 H new ATOM 0 HG23 VAL A 121 50.777 30.879 -1.008 1.00 14.43 H new ATOM 964 N LYS A 122 55.717 31.314 -0.265 1.00 13.38 N ATOM 965 CA LYS A 122 57.126 30.950 -0.278 1.00 14.10 C ATOM 966 C LYS A 122 57.546 30.124 0.925 1.00 16.15 C ATOM 967 O LYS A 122 58.687 29.657 0.962 1.00 16.38 O ATOM 968 CB LYS A 122 58.017 32.198 -0.336 1.00 15.26 C ATOM 969 CG LYS A 122 57.896 33.010 -1.624 1.00 17.15 C ATOM 970 CD LYS A 122 58.903 34.136 -1.591 1.00 21.51 C ATOM 971 CE LYS A 122 58.772 35.039 -2.801 1.00 28.52 C ATOM 972 NZ LYS A 122 59.739 36.166 -2.726 1.00 36.81 N ATOM 0 H LYS A 122 55.470 31.734 0.444 1.00 13.38 H new ATOM 0 HA LYS A 122 57.242 30.408 -1.074 1.00 14.10 H new ATOM 0 HB2 LYS A 122 57.798 32.772 0.415 1.00 15.26 H new ATOM 0 HB3 LYS A 122 58.941 31.926 -0.225 1.00 15.26 H new ATOM 0 HG2 LYS A 122 58.053 32.442 -2.394 1.00 17.15 H new ATOM 0 HG3 LYS A 122 56.998 33.366 -1.713 1.00 17.15 H new ATOM 0 HD2 LYS A 122 58.780 34.658 -0.783 1.00 21.51 H new ATOM 0 HD3 LYS A 122 59.800 33.768 -1.557 1.00 21.51 H new ATOM 0 HE2 LYS A 122 58.928 34.527 -3.610 1.00 28.52 H new ATOM 0 HE3 LYS A 122 57.868 35.386 -2.854 1.00 28.52 H new ATOM 0 HZ1 LYS A 122 59.447 36.842 -3.226 1.00 36.81 H new ATOM 0 HZ2 LYS A 122 59.817 36.435 -1.881 1.00 36.81 H new ATOM 0 HZ3 LYS A 122 60.533 35.897 -3.025 1.00 36.81 H new ATOM 973 N MET A 123 56.675 29.938 1.911 1.00 12.25 N ATOM 974 CA MET A 123 57.096 29.284 3.139 1.00 12.92 C ATOM 975 C MET A 123 55.853 28.756 3.839 1.00 11.38 C ATOM 976 O MET A 123 54.777 29.350 3.751 1.00 13.01 O ATOM 977 CB MET A 123 57.872 30.262 4.040 1.00 14.76 C ATOM 978 CG MET A 123 58.275 29.732 5.409 1.00 13.91 C ATOM 979 SD MET A 123 56.996 30.005 6.664 1.00 14.98 S ATOM 980 CE MET A 123 57.499 31.577 7.366 1.00 16.73 C ATOM 0 H MET A 123 55.850 30.179 1.889 1.00 12.25 H new ATOM 0 HA MET A 123 57.696 28.549 2.939 1.00 12.92 H new ATOM 0 HB2 MET A 123 58.675 30.539 3.571 1.00 14.76 H new ATOM 0 HB3 MET A 123 57.330 31.056 4.167 1.00 14.76 H new ATOM 0 HG2 MET A 123 58.461 28.782 5.343 1.00 13.91 H new ATOM 0 HG3 MET A 123 59.097 30.163 5.690 1.00 13.91 H new ATOM 0 HE1 MET A 123 56.924 31.795 8.116 1.00 16.73 H new ATOM 0 HE2 MET A 123 58.418 31.517 7.670 1.00 16.73 H new ATOM 0 HE3 MET A 123 57.427 32.271 6.692 1.00 16.73 H new ATOM 981 N VAL A 124 56.005 27.614 4.504 1.00 11.68 N ATOM 982 CA VAL A 124 54.956 27.034 5.335 1.00 10.85 C ATOM 983 C VAL A 124 55.519 26.889 6.739 1.00 11.92 C ATOM 984 O VAL A 124 56.641 26.402 6.913 1.00 12.73 O ATOM 985 CB VAL A 124 54.474 25.670 4.804 1.00 10.39 C ATOM 986 CG1 VAL A 124 53.415 25.088 5.732 1.00 13.10 C ATOM 987 CG2 VAL A 124 53.930 25.797 3.370 1.00 12.62 C ATOM 0 H VAL A 124 56.729 27.150 4.485 1.00 11.68 H new ATOM 0 HA VAL A 124 54.180 27.616 5.325 1.00 10.85 H new ATOM 0 HB VAL A 124 55.233 25.066 4.781 1.00 10.39 H new ATOM 0 HG11 VAL A 124 53.119 24.231 5.388 1.00 13.10 H new ATOM 0 HG12 VAL A 124 53.791 24.968 6.618 1.00 13.10 H new ATOM 0 HG13 VAL A 124 52.659 25.694 5.781 1.00 13.10 H new ATOM 0 HG21 VAL A 124 53.633 24.928 3.058 1.00 12.62 H new ATOM 0 HG22 VAL A 124 53.183 26.416 3.361 1.00 12.62 H new ATOM 0 HG23 VAL A 124 54.630 26.128 2.786 1.00 12.62 H new ATOM 988 N GLN A 125 54.749 27.309 7.740 1.00 10.39 N ATOM 989 CA GLN A 125 55.142 27.133 9.132 1.00 11.56 C ATOM 990 C GLN A 125 54.074 26.322 9.848 1.00 14.24 C ATOM 991 O GLN A 125 52.882 26.611 9.715 1.00 12.55 O ATOM 992 CB GLN A 125 55.339 28.468 9.838 1.00 11.48 C ATOM 993 CG GLN A 125 55.863 28.312 11.263 1.00 15.41 C ATOM 994 CD GLN A 125 56.310 29.621 11.846 1.00 23.25 C ATOM 995 OE1 GLN A 125 55.488 30.458 12.216 1.00 22.29 O ATOM 996 NE2 GLN A 125 57.622 29.823 11.911 1.00 29.39 N ATOM 0 H GLN A 125 53.991 27.700 7.631 1.00 10.39 H new ATOM 0 HA GLN A 125 55.992 26.665 9.153 1.00 11.56 H new ATOM 0 HB2 GLN A 125 55.960 29.011 9.327 1.00 11.48 H new ATOM 0 HB3 GLN A 125 54.495 28.946 9.859 1.00 11.48 H new ATOM 0 HG2 GLN A 125 55.168 27.931 11.822 1.00 15.41 H new ATOM 0 HG3 GLN A 125 56.605 27.687 11.267 1.00 15.41 H new ATOM 0 HE21 GLN A 125 58.165 29.213 11.642 1.00 29.39 H new ATOM 0 HE22 GLN A 125 57.928 30.564 12.222 1.00 29.39 H new ATOM 997 N VAL A 126 54.502 25.311 10.601 1.00 10.54 N ATOM 998 CA VAL A 126 53.606 24.474 11.396 1.00 10.28 C ATOM 999 C VAL A 126 54.029 24.633 12.849 1.00 10.61 C ATOM 1000 O VAL A 126 55.196 24.401 13.179 1.00 12.74 O ATOM 1001 CB VAL A 126 53.668 22.998 10.970 1.00 9.94 C ATOM 1002 CG1 VAL A 126 52.712 22.165 11.823 1.00 14.38 C ATOM 1003 CG2 VAL A 126 53.340 22.833 9.460 1.00 12.70 C ATOM 0 H VAL A 126 55.330 25.089 10.665 1.00 10.54 H new ATOM 0 HA VAL A 126 52.686 24.753 11.264 1.00 10.28 H new ATOM 0 HB VAL A 126 54.573 22.679 11.111 1.00 9.94 H new ATOM 0 HG11 VAL A 126 52.758 21.236 11.547 1.00 14.38 H new ATOM 0 HG12 VAL A 126 52.964 22.238 12.757 1.00 14.38 H new ATOM 0 HG13 VAL A 126 51.806 22.492 11.707 1.00 14.38 H new ATOM 0 HG21 VAL A 126 53.386 21.894 9.219 1.00 12.70 H new ATOM 0 HG22 VAL A 126 52.447 23.168 9.284 1.00 12.70 H new ATOM 0 HG23 VAL A 126 53.982 23.334 8.933 1.00 12.70 H new ATOM 1004 N TRP A 127 53.106 25.041 13.717 1.00 10.29 N ATOM 1005 CA TRP A 127 53.545 25.332 15.084 1.00 9.43 C ATOM 1006 C TRP A 127 52.369 25.217 16.048 1.00 10.11 C ATOM 1007 O TRP A 127 51.290 24.737 15.684 1.00 11.66 O ATOM 1008 CB TRP A 127 54.241 26.704 15.147 1.00 10.62 C ATOM 1009 CG TRP A 127 53.414 27.921 14.794 1.00 10.51 C ATOM 1010 CD1 TRP A 127 52.790 28.186 13.609 1.00 12.30 C ATOM 1011 CD2 TRP A 127 53.170 29.052 15.637 1.00 11.47 C ATOM 1012 NE1 TRP A 127 52.155 29.411 13.667 1.00 11.14 N ATOM 1013 CE2 TRP A 127 52.373 29.960 14.902 1.00 11.30 C ATOM 1014 CE3 TRP A 127 53.534 29.381 16.949 1.00 10.48 C ATOM 1015 CZ2 TRP A 127 51.939 31.180 15.432 1.00 10.87 C ATOM 1016 CZ3 TRP A 127 53.107 30.589 17.470 1.00 14.86 C ATOM 1017 CH2 TRP A 127 52.320 31.478 16.708 1.00 12.55 C ATOM 0 H TRP A 127 52.269 25.152 13.552 1.00 10.29 H new ATOM 0 HA TRP A 127 54.203 24.676 15.361 1.00 9.43 H new ATOM 0 HB2 TRP A 127 54.584 26.825 16.046 1.00 10.62 H new ATOM 0 HB3 TRP A 127 55.007 26.679 14.552 1.00 10.62 H new ATOM 0 HD1 TRP A 127 52.792 27.623 12.869 1.00 12.30 H new ATOM 0 HE1 TRP A 127 51.698 29.770 13.033 1.00 11.14 H new ATOM 0 HE3 TRP A 127 54.051 28.800 17.459 1.00 10.48 H new ATOM 0 HZ2 TRP A 127 51.413 31.764 14.935 1.00 10.87 H new ATOM 0 HZ3 TRP A 127 53.343 30.820 18.339 1.00 14.86 H new ATOM 0 HH2 TRP A 127 52.055 32.286 17.084 1.00 12.55 H new ATOM 1018 N ARG A 128 52.606 25.665 17.294 1.00 9.47 N ATOM 1019 CA ARG A 128 51.750 25.505 18.473 1.00 10.47 C ATOM 1020 C ARG A 128 51.939 24.114 19.078 1.00 12.15 C ATOM 1021 O ARG A 128 53.043 23.555 19.036 1.00 12.95 O ATOM 1022 CB ARG A 128 50.259 25.783 18.189 1.00 11.03 C ATOM 1023 CG ARG A 128 49.954 27.060 17.390 1.00 18.72 C ATOM 1024 CD ARG A 128 49.882 28.276 18.239 1.00 15.15 C ATOM 1025 NE ARG A 128 49.356 29.442 17.522 1.00 12.86 N ATOM 1026 CZ ARG A 128 49.336 30.655 18.051 1.00 12.90 C ATOM 1027 NH1 ARG A 128 49.818 30.834 19.275 1.00 14.69 N ATOM 1028 NH2 ARG A 128 48.860 31.689 17.365 1.00 11.62 N ATOM 0 H ARG A 128 53.324 26.101 17.479 1.00 9.47 H new ATOM 0 HA ARG A 128 52.030 26.177 19.114 1.00 10.47 H new ATOM 0 HB2 ARG A 128 49.893 25.025 17.707 1.00 11.03 H new ATOM 0 HB3 ARG A 128 49.790 25.833 19.037 1.00 11.03 H new ATOM 0 HG2 ARG A 128 50.639 27.184 16.715 1.00 18.72 H new ATOM 0 HG3 ARG A 128 49.112 26.949 16.922 1.00 18.72 H new ATOM 0 HD2 ARG A 128 49.320 28.095 19.009 1.00 15.15 H new ATOM 0 HD3 ARG A 128 50.768 28.482 18.577 1.00 15.15 H new ATOM 0 HE ARG A 128 49.048 29.333 16.726 1.00 12.86 H new ATOM 0 HH11 ARG A 128 50.138 30.167 19.713 1.00 14.69 H new ATOM 0 HH12 ARG A 128 49.811 31.617 19.630 1.00 14.69 H new ATOM 0 HH21 ARG A 128 48.560 31.574 16.567 1.00 11.62 H new ATOM 0 HH22 ARG A 128 48.852 32.473 17.719 1.00 11.62 H new ATOM 1029 N ASP A 129 50.890 23.566 19.679 1.00 11.46 N ATOM 1030 CA ASP A 129 51.042 22.518 20.695 1.00 12.21 C ATOM 1031 C ASP A 129 50.938 21.116 20.098 1.00 14.46 C ATOM 1032 O ASP A 129 50.085 20.311 20.471 1.00 14.10 O ATOM 1033 CB ASP A 129 50.001 22.712 21.790 1.00 11.28 C ATOM 1034 CG ASP A 129 49.951 24.136 22.275 1.00 13.76 C ATOM 1035 OD1 ASP A 129 50.977 24.612 22.802 1.00 15.52 O ATOM 1036 OD2 ASP A 129 48.916 24.799 22.102 1.00 13.44 O ATOM 0 H ASP A 129 50.075 23.785 19.515 1.00 11.46 H new ATOM 0 HA ASP A 129 51.931 22.598 21.074 1.00 12.21 H new ATOM 0 HB2 ASP A 129 49.128 22.455 21.454 1.00 11.28 H new ATOM 0 HB3 ASP A 129 50.203 22.124 22.535 1.00 11.28 H new ATOM 1037 N ILE A 130 51.852 20.811 19.178 1.00 11.31 N ATOM 1038 CA ILE A 130 51.901 19.491 18.569 1.00 12.18 C ATOM 1039 C ILE A 130 53.337 19.003 18.499 1.00 11.71 C ATOM 1040 O ILE A 130 54.295 19.780 18.528 1.00 15.06 O ATOM 1041 CB ILE A 130 51.288 19.467 17.150 1.00 13.14 C ATOM 1042 CG1 ILE A 130 52.106 20.339 16.192 1.00 16.65 C ATOM 1043 CG2 ILE A 130 49.825 19.906 17.179 1.00 13.46 C ATOM 1044 CD1 ILE A 130 52.166 19.786 14.805 1.00 24.72 C ATOM 0 H ILE A 130 52.452 21.358 18.895 1.00 11.31 H new ATOM 0 HA ILE A 130 51.370 18.904 19.130 1.00 12.18 H new ATOM 0 HB ILE A 130 51.316 18.554 16.824 1.00 13.14 H new ATOM 0 HG12 ILE A 130 51.721 21.229 16.164 1.00 16.65 H new ATOM 0 HG13 ILE A 130 53.008 20.431 16.537 1.00 16.65 H new ATOM 0 HG21 ILE A 130 49.462 19.883 16.280 1.00 13.46 H new ATOM 0 HG22 ILE A 130 49.318 19.305 17.747 1.00 13.46 H new ATOM 0 HG23 ILE A 130 49.765 20.809 17.529 1.00 13.46 H new ATOM 0 HD11 ILE A 130 52.694 20.375 14.244 1.00 24.72 H new ATOM 0 HD12 ILE A 130 52.575 18.907 14.824 1.00 24.72 H new ATOM 0 HD13 ILE A 130 51.268 19.716 14.445 1.00 24.72 H new ATOM 1045 N SER A 131 53.469 17.687 18.416 1.00 14.52 N ATOM 1046 CA SER A 131 54.657 17.055 17.873 1.00 15.55 C ATOM 1047 C SER A 131 54.385 16.688 16.420 1.00 14.35 C ATOM 1048 O SER A 131 53.242 16.461 16.022 1.00 15.50 O ATOM 1049 CB SER A 131 55.036 15.814 18.681 1.00 19.40 C ATOM 1050 OG SER A 131 53.973 14.884 18.694 1.00 19.40 O ATOM 0 H SER A 131 52.866 17.132 18.676 1.00 14.52 H new ATOM 0 HA SER A 131 55.405 17.671 17.924 1.00 15.55 H new ATOM 0 HB2 SER A 131 55.827 15.403 18.299 1.00 19.40 H new ATOM 0 HB3 SER A 131 55.260 16.070 19.590 1.00 19.40 H new ATOM 0 HG SER A 131 54.110 14.294 18.112 1.00 19.40 H new ATOM 1051 N LEU A 132 55.448 16.634 15.631 1.00 14.88 N ATOM 1052 CA LEU A 132 55.354 16.485 14.189 1.00 14.17 C ATOM 1053 C LEU A 132 56.282 15.359 13.760 1.00 16.35 C ATOM 1054 O LEU A 132 57.469 15.382 14.095 1.00 20.37 O ATOM 1055 CB LEU A 132 55.751 17.803 13.518 1.00 19.35 C ATOM 1056 CG LEU A 132 55.622 17.993 12.019 1.00 23.28 C ATOM 1057 CD1 LEU A 132 54.172 17.954 11.643 1.00 24.23 C ATOM 1058 CD2 LEU A 132 56.229 19.335 11.649 1.00 25.64 C ATOM 0 H LEU A 132 56.255 16.684 15.923 1.00 14.88 H new ATOM 0 HA LEU A 132 54.446 16.268 13.924 1.00 14.17 H new ATOM 0 HB2 LEU A 132 55.228 18.503 13.938 1.00 19.35 H new ATOM 0 HB3 LEU A 132 56.679 17.968 13.745 1.00 19.35 H new ATOM 0 HG LEU A 132 56.087 17.287 11.543 1.00 23.28 H new ATOM 0 HD11 LEU A 132 54.083 18.075 10.685 1.00 24.23 H new ATOM 0 HD12 LEU A 132 53.795 17.097 11.897 1.00 24.23 H new ATOM 0 HD13 LEU A 132 53.699 18.664 12.104 1.00 24.23 H new ATOM 0 HD21 LEU A 132 56.154 19.471 10.692 1.00 25.64 H new ATOM 0 HD22 LEU A 132 55.757 20.043 12.114 1.00 25.64 H new ATOM 0 HD23 LEU A 132 57.165 19.349 11.905 1.00 25.64 H new ATOM 1059 N THR A 133 55.744 14.368 13.049 1.00 16.85 N ATOM 1060 CA THR A 133 56.584 13.300 12.525 1.00 18.96 C ATOM 1061 C THR A 133 56.775 13.346 11.020 1.00 20.98 C ATOM 1062 O THR A 133 57.760 12.787 10.527 1.00 22.06 O ATOM 1063 CB THR A 133 56.031 11.914 12.897 1.00 20.72 C ATOM 1064 OG1 THR A 133 54.672 11.793 12.465 1.00 22.92 O ATOM 1065 CG2 THR A 133 56.121 11.680 14.398 1.00 24.51 C ATOM 0 H THR A 133 54.907 14.298 12.863 1.00 16.85 H new ATOM 0 HA THR A 133 57.448 13.447 12.941 1.00 18.96 H new ATOM 0 HB THR A 133 56.569 11.243 12.449 1.00 20.72 H new ATOM 0 HG1 THR A 133 54.161 11.847 13.129 1.00 22.92 H new ATOM 0 HG21 THR A 133 55.768 10.802 14.611 1.00 24.51 H new ATOM 0 HG22 THR A 133 57.048 11.732 14.679 1.00 24.51 H new ATOM 0 HG23 THR A 133 55.605 12.357 14.863 1.00 24.51 H new ATOM 1066 N LYS A 134 55.873 13.989 10.278 1.00 16.68 N ATOM 1067 CA LYS A 134 55.965 14.030 8.826 1.00 16.31 C ATOM 1068 C LYS A 134 55.503 15.388 8.328 1.00 16.42 C ATOM 1069 O LYS A 134 54.507 15.929 8.807 1.00 15.23 O ATOM 1070 CB LYS A 134 55.122 12.925 8.169 1.00 21.07 C ATOM 0 H LYS A 134 55.197 14.410 10.603 1.00 16.68 H new ATOM 0 HA LYS A 134 56.892 13.881 8.581 1.00 16.31 H new ATOM 1071 N PHE A 135 56.237 15.927 7.358 1.00 17.18 N ATOM 1072 CA PHE A 135 55.825 17.109 6.619 1.00 15.27 C ATOM 1073 C PHE A 135 56.276 16.931 5.179 1.00 15.93 C ATOM 1074 O PHE A 135 57.459 16.686 4.929 1.00 19.43 O ATOM 1075 CB PHE A 135 56.431 18.394 7.202 1.00 18.12 C ATOM 1076 CG PHE A 135 56.028 19.630 6.455 1.00 15.38 C ATOM 1077 CD1 PHE A 135 56.718 20.020 5.320 1.00 16.29 C ATOM 1078 CD2 PHE A 135 54.944 20.380 6.868 1.00 16.11 C ATOM 1079 CE1 PHE A 135 56.337 21.136 4.614 1.00 17.42 C ATOM 1080 CE2 PHE A 135 54.557 21.507 6.161 1.00 14.99 C ATOM 1081 CZ PHE A 135 55.258 21.884 5.033 1.00 15.36 C ATOM 0 H PHE A 135 56.997 15.610 7.110 1.00 17.18 H new ATOM 0 HA PHE A 135 54.861 17.201 6.678 1.00 15.27 H new ATOM 0 HB2 PHE A 135 56.159 18.481 8.129 1.00 18.12 H new ATOM 0 HB3 PHE A 135 57.398 18.320 7.195 1.00 18.12 H new ATOM 0 HD1 PHE A 135 57.448 19.521 5.032 1.00 16.29 H new ATOM 0 HD2 PHE A 135 54.470 20.126 7.627 1.00 16.11 H new ATOM 0 HE1 PHE A 135 56.808 21.387 3.852 1.00 17.42 H new ATOM 0 HE2 PHE A 135 53.827 22.008 6.446 1.00 14.99 H new ATOM 0 HZ PHE A 135 55.003 22.641 4.557 1.00 15.36 H new ATOM 1082 N ASN A 136 55.347 17.065 4.239 1.00 15.53 N ATOM 1083 CA ASN A 136 55.692 16.901 2.833 1.00 19.91 C ATOM 1084 C ASN A 136 54.882 17.850 1.964 1.00 21.08 C ATOM 1085 O ASN A 136 53.682 18.020 2.174 1.00 19.70 O ATOM 1086 CB ASN A 136 55.458 15.464 2.368 1.00 20.00 C ATOM 1087 CG ASN A 136 55.891 15.254 0.933 1.00 29.46 C ATOM 1088 OD1 ASN A 136 55.065 15.240 0.019 1.00 33.83 O ATOM 1089 ND2 ASN A 136 57.198 15.131 0.721 1.00 33.68 N ATOM 0 H ASN A 136 54.521 17.249 4.392 1.00 15.53 H new ATOM 0 HA ASN A 136 56.635 17.109 2.742 1.00 19.91 H new ATOM 0 HB2 ASN A 136 55.946 14.855 2.944 1.00 20.00 H new ATOM 0 HB3 ASN A 136 54.517 15.246 2.456 1.00 20.00 H new ATOM 0 HD21 ASN A 136 57.497 15.037 -0.080 1.00 33.68 H new ATOM 0 HD22 ASN A 136 57.745 15.145 1.385 1.00 33.68 H new ATOM 1090 N VAL A 137 55.551 18.458 0.982 1.00 21.44 N ATOM 1091 CA VAL A 137 54.908 19.228 -0.075 1.00 24.03 C ATOM 1092 C VAL A 137 55.173 18.509 -1.386 1.00 28.71 C ATOM 1093 O VAL A 137 56.331 18.230 -1.721 1.00 26.15 O ATOM 1094 CB VAL A 137 55.427 20.676 -0.136 1.00 22.05 C ATOM 1095 CG1 VAL A 137 54.819 21.415 -1.330 1.00 23.83 C ATOM 1096 CG2 VAL A 137 55.106 21.402 1.141 1.00 23.35 C ATOM 0 H VAL A 137 56.408 18.432 0.914 1.00 21.44 H new ATOM 0 HA VAL A 137 53.956 19.289 0.102 1.00 24.03 H new ATOM 0 HB VAL A 137 56.390 20.650 -0.246 1.00 22.05 H new ATOM 0 HG11 VAL A 137 55.156 22.324 -1.354 1.00 23.83 H new ATOM 0 HG12 VAL A 137 55.062 20.959 -2.151 1.00 23.83 H new ATOM 0 HG13 VAL A 137 53.853 21.431 -1.243 1.00 23.83 H new ATOM 0 HG21 VAL A 137 55.438 22.312 1.089 1.00 23.35 H new ATOM 0 HG22 VAL A 137 54.145 21.416 1.273 1.00 23.35 H new ATOM 0 HG23 VAL A 137 55.527 20.947 1.887 1.00 23.35 H new ATOM 1097 N SER A 138 54.104 18.188 -2.103 1.00 27.14 N ATOM 1098 CA SER A 138 54.238 17.654 -3.450 1.00 27.64 C ATOM 1099 C SER A 138 54.762 18.723 -4.409 1.00 36.38 C ATOM 1100 O SER A 138 54.451 19.913 -4.290 1.00 31.54 O ATOM 1101 CB SER A 138 52.895 17.147 -3.943 1.00 26.30 C ATOM 1102 OG SER A 138 52.003 18.236 -4.057 1.00 24.19 O ATOM 0 H SER A 138 53.293 18.272 -1.828 1.00 27.14 H new ATOM 0 HA SER A 138 54.873 16.921 -3.424 1.00 27.64 H new ATOM 0 HB2 SER A 138 52.998 16.708 -4.802 1.00 26.30 H new ATOM 0 HB3 SER A 138 52.540 16.487 -3.327 1.00 26.30 H new ATOM 0 HG SER A 138 51.402 18.049 -4.614 1.00 24.19 H new ATOM 1103 N TYR A 139 55.548 18.290 -5.387 1.00 32.42 N ATOM 1104 CA TYR A 139 56.083 19.236 -6.362 1.00 37.35 C ATOM 1105 C TYR A 139 55.947 18.715 -7.783 1.00 33.09 C ATOM 1106 O TYR A 139 56.908 18.182 -8.339 1.00 40.46 O ATOM 1107 CB TYR A 139 57.549 19.531 -6.050 1.00 33.40 C ATOM 1108 CG TYR A 139 57.759 20.595 -5.003 1.00 30.34 C ATOM 1109 CD1 TYR A 139 57.553 21.936 -5.301 1.00 28.08 C ATOM 1110 CD2 TYR A 139 58.162 20.258 -3.717 1.00 28.43 C ATOM 1111 CE1 TYR A 139 57.738 22.918 -4.334 1.00 26.45 C ATOM 1112 CE2 TYR A 139 58.345 21.228 -2.746 1.00 28.27 C ATOM 1113 CZ TYR A 139 58.125 22.561 -3.062 1.00 28.15 C ATOM 1114 OH TYR A 139 58.303 23.527 -2.103 1.00 26.39 O ATOM 0 H TYR A 139 55.781 17.471 -5.504 1.00 32.42 H new ATOM 0 HA TYR A 139 55.566 20.054 -6.297 1.00 37.35 H new ATOM 0 HB2 TYR A 139 57.977 18.712 -5.754 1.00 33.40 H new ATOM 0 HB3 TYR A 139 57.994 19.804 -6.867 1.00 33.40 H new ATOM 0 HD1 TYR A 139 57.288 22.180 -6.158 1.00 28.08 H new ATOM 0 HD2 TYR A 139 58.312 19.365 -3.504 1.00 28.43 H new ATOM 0 HE1 TYR A 139 57.601 23.813 -4.546 1.00 26.45 H new ATOM 0 HE2 TYR A 139 58.613 20.988 -1.889 1.00 28.27 H new ATOM 0 HH TYR A 139 58.615 23.176 -1.406 1.00 26.39 H new TER 1115 TYR A 139 HETATM 1116 O HOH A 201 34.412 27.670 -6.843 1.00 27.78 O HETATM 1117 O HOH A 202 38.845 17.418 -3.740 1.00 22.22 O HETATM 1118 O HOH A 203 58.663 14.921 2.578 1.00 34.67 O HETATM 1119 O HOH A 204 64.230 16.331 13.073 1.00 36.63 O HETATM 1120 O HOH A 205 47.714 27.602 -9.674 1.00 34.09 O HETATM 1121 O HOH A 206 52.928 11.963 14.590 1.00 26.44 O HETATM 1122 O HOH A 207 48.018 16.481 -4.827 1.00 33.53 O HETATM 1123 O HOH A 208 49.526 23.526 -11.227 1.00 37.77 O HETATM 1124 O HOH A 209 55.305 31.664 14.444 1.00 21.98 O HETATM 1125 O HOH A 210 55.875 38.691 -1.272 1.00 36.07 O HETATM 1126 O HOH A 211 45.629 31.127 -1.675 1.00 16.35 O HETATM 1127 O HOH A 212 54.111 22.482 -5.110 1.00 29.49 O HETATM 1128 O HOH A 213 60.894 27.134 12.560 1.00 30.83 O HETATM 1129 O HOH A 214 55.233 36.100 -2.307 1.00 25.10 O HETATM 1130 O HOH A 215 52.919 41.932 1.484 1.00 28.86 O HETATM 1131 O HOH A 216 44.480 41.086 -1.140 1.00 30.85 O HETATM 1132 O HOH A 217 58.608 22.489 0.288 1.00 24.64 O HETATM 1133 O HOH A 218 53.374 31.613 11.152 1.00 15.90 O HETATM 1134 O HOH A 219 42.434 32.449 17.198 1.00 40.99 O HETATM 1135 O HOH A 220 36.826 14.973 18.740 1.00 29.62 O HETATM 1136 O HOH A 221 44.056 25.289 28.662 1.00 18.41 O HETATM 1137 O HOH A 222 57.936 17.300 16.930 1.00 20.50 O HETATM 1138 O HOH A 223 53.819 29.326 -4.181 1.00 16.31 O HETATM 1139 O HOH A 224 48.377 13.571 1.378 1.00 34.94 O HETATM 1140 O HOH A 225 43.492 17.678 0.942 1.00 29.75 O HETATM 1141 O HOH A 226 57.480 30.015 -4.075 1.00 24.28 O HETATM 1142 O HOH A 227 61.555 35.109 1.424 1.00 27.41 O HETATM 1143 O HOH A 228 44.232 14.216 17.157 1.00 25.57 O HETATM 1144 O HOH A 229 36.337 29.072 4.527 1.00 29.65 O HETATM 1145 O HOH A 230 44.121 39.557 -3.145 1.00 24.97 O HETATM 1146 O HOH A 231 40.612 15.568 27.242 1.00 19.84 O HETATM 1147 O HOH A 232 39.966 9.699 21.595 1.00 29.26 O HETATM 1148 O HOH A 233 55.113 42.239 9.044 1.00 33.34 O HETATM 1149 O HOH A 234 53.183 25.614 21.613 0.50 19.47 O HETATM 1150 O HOH A 235 44.959 27.465 -7.448 1.00 30.12 O HETATM 1151 O HOH A 236 38.727 22.709 27.750 1.00 17.35 O HETATM 1152 O HOH A 237 47.859 13.818 22.500 1.00 27.00 O HETATM 1153 O HOH A 238 62.131 37.802 11.154 1.00 46.68 O HETATM 1154 O HOH A 239 41.690 35.135 12.546 1.00 21.62 O HETATM 1155 O HOH A 240 40.231 40.154 11.695 1.00 33.01 O HETATM 1156 O HOH A 241 45.689 45.160 5.193 1.00 24.82 O HETATM 1157 O HOH A 242 40.697 34.123 16.512 1.00 39.33 O HETATM 1158 O HOH A 243 61.931 25.237 15.926 1.00 31.71 O HETATM 1159 O HOH A 244 62.834 20.556 7.450 1.00 33.23 O HETATM 1160 O HOH A 245 33.987 23.661 -1.079 1.00 29.75 O HETATM 1161 O HOH A 246 38.497 32.907 1.622 1.00 18.53 O HETATM 1162 O HOH A 247 59.869 13.040 8.796 1.00 37.32 O HETATM 1163 O HOH A 248 38.827 21.474 23.822 1.00 18.61 O HETATM 1164 O HOH A 249 62.980 23.281 6.420 1.00 28.34 O HETATM 1165 O HOH A 250 46.822 7.666 17.462 1.00 33.13 O HETATM 1166 O HOH A 251 52.068 15.982 0.278 1.00 23.46 O HETATM 1167 O HOH A 252 33.583 21.623 17.884 1.00 30.61 O HETATM 1168 O HOH A 253 54.681 39.860 1.133 1.00 24.16 O HETATM 1169 O HOH A 254 41.025 39.235 1.830 1.00 29.61 O HETATM 1170 O HOH A 255 44.038 26.531 -11.572 1.00 38.79 O HETATM 1171 O HOH A 256 45.288 15.111 22.444 1.00 18.78 O HETATM 1172 O HOH A 257 39.178 11.606 12.308 1.00 25.47 O HETATM 1173 O HOH A 258 42.270 43.227 11.585 1.00 44.52 O HETATM 1174 O HOH A 259 47.505 6.953 20.352 1.00 46.32 O HETATM 1175 O HOH A 260 55.462 24.384 20.158 1.00 23.80 O HETATM 1176 O HOH A 261 62.107 31.720 9.001 1.00 40.11 O HETATM 1177 O HOH A 262 54.284 12.842 16.807 1.00 26.20 O HETATM 1178 O HOH A 263 42.231 27.066 27.590 1.00 21.72 O HETATM 1179 O HOH A 264 39.920 29.258 18.734 1.00 34.01 O HETATM 1180 O HOH A 265 35.698 13.250 2.521 1.00 27.77 O HETATM 1181 O HOH A 266 38.121 12.259 25.438 1.00 46.47 O HETATM 1182 O HOH A 267 61.063 30.291 -0.414 1.00 25.32 O HETATM 1183 O HOH A 268 43.867 12.591 25.580 1.00 29.94 O HETATM 1184 O HOH A 269 46.610 30.401 -9.345 1.00 43.33 O HETATM 1185 O HOH A 270 37.460 38.889 11.229 1.00 31.00 O HETATM 1186 O HOH A 271 44.347 32.921 0.064 1.00 15.43 O HETATM 1187 O HOH A 272 41.379 28.117 16.837 1.00 20.44 O HETATM 1188 O HOH A 273 35.571 27.462 0.345 1.00 29.73 O HETATM 1189 O HOH A 274 31.145 18.120 12.832 1.00 49.91 O HETATM 1190 O HOH A 275 30.760 24.887 11.794 1.00 27.88 O HETATM 1191 O HOH A 276 60.518 34.856 17.142 1.00 37.31 O HETATM 1192 O HOH A 277 31.217 11.836 6.751 1.00 30.93 O HETATM 1193 O HOH A 278 32.724 17.580 14.412 1.00 28.55 O HETATM 1194 O HOH A 279 59.769 31.332 12.986 1.00 41.33 O HETATM 1195 O HOH A 280 38.201 12.289 9.839 1.00 32.57 O HETATM 1196 O HOH A 281 53.043 23.581 24.456 1.00 14.39 O HETATM 1197 O HOH A 282 56.831 19.795 19.809 1.00 26.63 O HETATM 1198 O HOH A 283 52.471 14.463 21.075 1.00 28.71 O HETATM 1199 O HOH A 284 45.286 9.055 10.714 1.00 41.59 O HETATM 1200 O HOH A 285 60.760 24.739 20.268 1.00 39.36 O HETATM 1201 O HOH A 286 47.482 42.904 12.724 1.00 36.97 O HETATM 1202 O HOH A 287 33.899 15.523 11.331 1.00 39.94 O HETATM 1203 O HOH A 288 34.151 16.579 7.874 1.00 28.79 O HETATM 1204 O HOH A 289 52.179 40.136 7.996 1.00 14.70 O HETATM 1205 O HOH A 290 32.911 24.990 20.014 1.00 47.19 O HETATM 1206 O HOH A 291 54.301 28.310 -7.321 1.00 26.83 O HETATM 1207 O HOH A 292 61.013 20.814 18.489 1.00 29.61 O HETATM 1208 O HOH A 293 37.829 13.210 20.670 1.00 26.15 O HETATM 1209 O HOH A 294 53.586 42.782 5.362 1.00 28.66 O HETATM 1210 O HOH A 295 51.677 28.103 -11.225 1.00 39.67 O HETATM 1211 O HOH A 296 35.387 27.361 28.010 1.00 36.05 O HETATM 1212 O HOH A 297 36.049 34.872 3.423 1.00 29.27 O HETATM 1213 O HOH A 298 62.156 24.247 10.875 1.00 28.04 O HETATM 1214 O HOH A 299 40.739 38.657 -2.392 1.00 38.96 O HETATM 1215 O HOH A 300 57.549 22.609 20.376 1.00 28.46 O HETATM 1216 O HOH A 301 45.221 42.854 12.355 1.00 23.62 O HETATM 1217 O HOH A 302 57.129 15.844 -5.121 1.00 43.38 O HETATM 1218 O HOH A 303 50.878 6.773 10.951 1.00 59.08 O HETATM 1219 O HOH A 304 61.661 35.100 10.701 1.00 31.26 O HETATM 1220 O HOH A 305 54.072 24.145 -7.566 1.00 41.16 O HETATM 1221 O HOH A 306 37.682 34.960 17.587 1.00 40.67 O HETATM 1222 O HOH A 307 54.940 40.325 4.038 1.00 17.67 O HETATM 1223 O HOH A 308 42.870 12.706 15.160 1.00 23.06 O HETATM 1224 O HOH A 309 54.866 8.992 11.525 1.00 40.55 O HETATM 1225 O HOH A 310 44.820 9.577 6.167 1.00 50.46 O HETATM 1226 O HOH A 311 46.662 37.099 -6.229 1.00 22.64 O HETATM 1227 O HOH A 312 62.321 37.147 -1.615 1.00 47.91 O HETATM 1228 O HOH A 313 49.668 27.644 21.613 0.50 18.64 O HETATM 1229 O HOH A 314 44.093 13.371 5.615 1.00 19.88 O HETATM 1230 O HOH A 315 50.888 18.694 28.120 1.00 36.68 O HETATM 1231 O HOH A 316 32.552 31.825 9.692 1.00 32.68 O HETATM 1232 O HOH A 317 42.706 28.983 24.760 1.00 34.55 O HETATM 1233 O HOH A 318 44.312 29.862 -8.414 1.00 41.51 O HETATM 1234 O HOH A 319 45.565 19.549 -5.049 1.00 34.74 O HETATM 1235 O HOH A 320 53.667 17.199 26.352 1.00 41.93 O HETATM 1236 O HOH A 321 51.234 44.849 11.396 1.00 35.28 O HETATM 1237 O HOH A 322 58.411 18.302 19.252 1.00 44.91 O HETATM 1238 O HOH A 323 31.586 10.798 8.830 1.00 43.60 O HETATM 1239 O HOH A 324 36.694 30.965 2.456 1.00 29.00 O HETATM 1240 O HOH A 325 52.613 20.828 -7.831 1.00 46.42 O HETATM 1241 O HOH A 326 36.833 41.554 9.028 1.00 45.38 O HETATM 1242 O HOH A 327 33.905 22.406 23.209 1.00 42.16 O HETATM 1243 O HOH A 328 35.328 25.139 6.068 1.00 30.90 O HETATM 1244 O HOH A 329 38.934 39.078 3.947 1.00 24.23 O HETATM 1245 O HOH A 330 33.960 28.888 -4.269 1.00 33.64 O HETATM 1246 O HOH A 331 53.836 10.676 17.975 1.00 42.94 O HETATM 1247 O HOH A 332 52.614 18.397 -7.375 1.00 38.47 O HETATM 1248 O HOH A 333 38.887 42.264 7.115 1.00 37.71 O HETATM 1249 O HOH A 334 38.380 28.338 20.701 1.00 43.72 O HETATM 1250 O HOH A 335 37.507 19.733 24.744 1.00 32.56 O HETATM 1251 O HOH A 336 37.845 16.835 26.710 1.00 37.02 O HETATM 1252 O HOH A 337 37.071 15.575 24.429 1.00 51.48 O HETATM 1253 O HOH A 338 57.403 17.598 21.505 1.00 39.08 O HETATM 1254 O HOH A 339 51.421 15.109 -2.026 1.00 34.68 O HETATM 1255 O HOH A 340 43.003 34.657 -5.987 1.00 36.21 O HETATM 1256 O HOH A 341 38.045 41.610 4.730 1.00 35.53 O HETATM 1257 O HOH A 342 40.329 28.421 24.349 1.00 40.90 O HETATM 1258 O HOH A 343 40.849 38.215 13.618 1.00 38.96 O HETATM 1259 O HOH A 344 47.595 13.478 24.659 1.00 50.49 O HETATM 1260 O HOH A 345 33.473 18.964 19.059 1.00 46.43 O HETATM 1261 O HOH A 346 57.275 42.341 7.322 1.00 45.33 O HETATM 1262 O HOH A 347 33.887 25.606 28.715 1.00 42.71 O HETATM 1263 O HOH A 348 36.577 37.750 2.864 1.00 37.77 O HETATM 1264 O HOH A 349 37.120 34.734 0.115 1.00 30.88 O HETATM 1265 O HOH A 350 56.514 14.730 22.325 1.00 37.35 O HETATM 1266 O HOH A 351 35.378 28.237 20.856 1.00 43.91 O HETATM 1267 O HOH A 352 36.100 17.154 20.214 1.00 30.22 O HETATM 1268 O HOH A 353 47.730 42.069 15.275 1.00 35.68 O HETATM 1269 O HOH A 354 42.080 9.138 15.210 1.00 39.81 O HETATM 1270 O HOH A 355 54.088 43.819 7.617 1.00 47.12 O HETATM 1271 O HOH A 356 30.587 20.272 9.010 1.00 39.12 O HETATM 1272 O HOH A 357 63.777 27.427 11.376 1.00 42.54 O HETATM 1273 O HOH A 358 51.859 15.549 -7.446 1.00 37.34 O HETATM 1274 O HOH A 359 63.257 21.304 9.790 1.00 34.57 O HETATM 1275 O HOH A 360 48.862 13.112 -1.295 1.00 48.08 O HETATM 1276 O HOH A 361 38.319 10.371 23.530 1.00 54.45 O HETATM 1277 O HOH A 362 41.066 14.270 29.454 1.00 35.99 O HETATM 1278 O HOH A 363 43.521 32.356 -7.233 1.00 37.85 O HETATM 1279 O HOH A 364 66.391 17.660 13.432 1.00 46.90 O HETATM 1280 O HOH A 365 61.294 29.187 14.550 1.00 41.85 O HETATM 1281 O HOH A 366 49.121 44.363 14.833 1.00 44.19 O HETATM 1282 O HOH A 367 58.175 12.852 22.836 1.00 50.25 O HETATM 1283 O HOH A 368 53.789 44.406 10.172 1.00 43.31 O HETATM 1284 O HOH A 369 56.285 43.390 11.744 1.00 38.46 O END