USER MOD reduce.3.24.130724 H: found=0, std=0, add=1101, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTEIN BINDING 08-JUN-18 6A1S TITLE CHARCOT-LEYDEN CRYSTAL PROTEIN/GALECTIN-10 VARIANT E33A 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 CHARCOT-LEYDEN CRYSTAL PROTEIN/GALECTIN-10, PROTEIN BINDING EXPDTA X-RAY DIFFRACTION AUTHOR J.SU REVDAT 1 26-DEC-18 6A1S 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. 1.63 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX (1.13_2998: ???) REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.63 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.64 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.340 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.7 REMARK 3 NUMBER OF REFLECTIONS : 24112 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.172 REMARK 3 R VALUE (WORKING SET) : 0.169 REMARK 3 FREE R VALUE : 0.202 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.290 REMARK 3 FREE R VALUE TEST SET COUNT : 1999 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) : 0.120 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 16.870 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 15.13 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 6A1S 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_1300008031. 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 : PSI PILATUS 6M REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 24150 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.630 REMARK 200 RESOLUTION RANGE LOW (A) : 19.640 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 REMARK 200 DATA REDUNDANCY : 18.80 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 20.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.63 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.66 REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: NULL REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 55.68 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.78 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 174.36600 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 87.18300 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 130.77450 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 43.59150 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 217.95750 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 174.36600 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 87.18300 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 43.59150 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 130.77450 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 217.95750 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: 1600 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12570 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 0.00000 REMARK 350 BIOMT2 2 -0.866025 -0.500000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 566.68950 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 259 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 330 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 SER A 2 OG REMARK 470 GLU A 47 CG CD OE1 OE2 REMARK 470 ARG A 60 CG CD NE CZ NH1 NH2 REMARK 470 ASP A 98 CG OD1 OD2 REMARK 470 ARG A 142 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ARG A 60 -63.58 -124.80 REMARK 500 LYS A 73 -146.30 -99.68 REMARK 500 ARG A 128 -147.86 78.65 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 449 DISTANCE = 5.81 ANGSTROMS REMARK 525 HOH A 450 DISTANCE = 6.29 ANGSTROMS REMARK 525 HOH A 451 DISTANCE = 6.37 ANGSTROMS REMARK 525 HOH A 452 DISTANCE = 6.70 ANGSTROMS REMARK 525 HOH A 453 DISTANCE = 6.72 ANGSTROMS REMARK 525 HOH A 454 DISTANCE = 7.77 ANGSTROMS DBREF 6A1S A 1 142 UNP Q05315 LEG10_HUMAN 1 142 SEQADV 6A1S GLY A -2 UNP Q05315 EXPRESSION TAG SEQADV 6A1S SER A -1 UNP Q05315 EXPRESSION TAG SEQADV 6A1S HIS A 0 UNP Q05315 EXPRESSION TAG SEQADV 6A1S ALA 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 ALA 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 *254(H2 O) HELIX 1 AA1 CYS A 29 ALA A 33 5 5 HELIX 2 AA2 LYS A 117 VAL A 121 5 5 SHEET 1 AA1 6 TYR A 8 ALA A 11 0 SHEET 2 AA1 6 MET A 123 ARG A 128 -1 O VAL A 126 N TYR A 8 SHEET 3 AA1 6 TYR A 35 HIS A 41 -1 N HIS A 41 O MET A 123 SHEET 4 AA1 6 ILE A 50 CYS A 57 -1 O VAL A 56 N LEU A 36 SHEET 5 AA1 6 ARG A 61 GLU A 68 -1 O ARG A 61 N CYS A 57 SHEET 6 AA1 6 ALA A 71 TRP A 72 -1 O ALA A 71 N GLU A 68 SHEET 1 AA2 6 TYR A 8 ALA A 11 0 SHEET 2 AA2 6 MET A 123 ARG A 128 -1 O VAL A 126 N TYR A 8 SHEET 3 AA2 6 TYR A 35 HIS A 41 -1 N HIS A 41 O MET A 123 SHEET 4 AA2 6 ILE A 50 CYS A 57 -1 O VAL A 56 N LEU A 36 SHEET 5 AA2 6 ARG A 61 GLU A 68 -1 O ARG A 61 N CYS A 57 SHEET 6 AA2 6 VAL A 76 SER A 78 -1 O SER A 78 N VAL A 62 SHEET 1 AA3 5 GLN A 107 ASP A 113 0 SHEET 2 AA3 5 LYS A 99 VAL A 104 -1 N VAL A 102 O TYR A 110 SHEET 3 AA3 5 PHE A 89 VAL A 95 -1 N SER A 92 O MET A 103 SHEET 4 AA3 5 THR A 19 PRO A 26 -1 N ILE A 22 O LEU A 91 SHEET 5 AA3 5 ILE A 130 VAL A 137 -1 O ASN A 136 N THR A 21 CISPEP 1 VAL A 6 PRO A 7 0 -0.21 CRYST1 48.929 48.929 261.549 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 0.020438 0.011800 0.000000 0.00000 SCALE2 0.000000 0.023600 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003823 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 GLN : amide:sc= 1.42 K(o=1.8,f=0.97) USER MOD Set 1.2: A 108 SER OG : rot 120:sc= 0.374 USER MOD Set 2.1: A 41 HIS : no HE2:sc= 1.3 K(o=2.2,f=-5.2!) USER MOD Set 2.2: A 48 SER OG : rot -83:sc= 0.95 USER MOD Set 2.3: A 123 MET CE :methyl -179:sc= -0.0424 (180deg=-0.0333) USER MOD Set 3.1: A 37 GLN : amide:sc= 1.4 K(o=4.3,f=-6!) USER MOD Set 3.2: A 53 HIS : no HE2:sc= -0.0153 K(o=4.3,f=2.9!) USER MOD Set 3.3: A 55 GLN : amide:sc= 2.96 K(o=4.3,f=1.9) USER MOD Set 4.1: A 35 TYR OH : rot 180:sc= 1.31 USER MOD Set 4.2: A 57 CYS SG : rot 101:sc= 0.571 USER MOD Set 5.1: A 19 THR OG1 : rot 98:sc= 2.14 USER MOD Set 5.2: A 94 SER OG : rot -51:sc= 2.88 USER MOD Single : A 8 TYR OH : rot 177:sc= 2.24 USER MOD Single : A 9 THR OG1 : rot 84:sc= 1.37 USER MOD Single : A 13 SER OG : rot -65:sc= 1.05 USER MOD Single : A 15 SER OG : rot 112:sc= 0.0482 USER MOD Single : A 16 THR OG1 : rot 173:sc= 2.67 USER MOD Single : A 18 SER OG : rot -123:sc= 1.78 USER MOD Single : A 21 THR OG1 : rot -119:sc= 2.33 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 180:sc=-0.00118 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 42 THR OG1 : rot 141:sc= 1.25 USER MOD Single : A 44 MET CE :methyl -162:sc= -0.0694 (180deg=-0.378) USER MOD Single : A 45 LYS NZ :NH3+ -142:sc= -0.294 (180deg=-0.734) USER MOD Single : A 64 MET CE :methyl -120:sc= -0.0327 (180deg=-0.65) USER MOD Single : A 65 ASN : amide:sc= 1.65 K(o=1.7,f=-8!) USER MOD Single : A 66 SER OG : rot 143:sc= 1.4 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.431 (180deg=-0.635) USER MOD Single : A 74 GLN : amide:sc= -0.0894 X(o=-0.089,f=0.04) USER MOD Single : A 75 GLN : amide:sc= 2.67 X(o=2.7,f=2.8) USER MOD Single : A 78 SER OG : rot -160:sc= 0.313 USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= -0.03 (180deg=-0.211) USER MOD Single : A 80 ASN : amide:sc= 1.73 K(o=1.7,f=0.39) USER MOD Single : A 81 MET CE :methyl 170:sc= 0 (180deg=-0.163) USER MOD Single : A 84 GLN : amide:sc= 0.308 X(o=0.31,f=-0.18) USER MOD Single : A 87 GLN : amide:sc= 0.788 K(o=0.79,f=-0.17) USER MOD Single : A 92 SER OG : rot -122:sc= 1.98 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 30:sc= 0.99 USER MOD Single : A 103 MET CE :methyl -122:sc=-0.00457 (180deg=-0.112) USER MOD Single : A 105 ASN : amide:sc= 2.08 K(o=2.1,f=-3.1!) USER MOD Single : A 107 GLN : amide:sc= 1.98 K(o=2,f=0.3) USER MOD Single : A 109 SER OG : rot 66:sc= 0.405 USER MOD Single : A 110 TYR OH : rot 18:sc= 0.578 USER MOD Single : A 111 THR OG1 : rot 80:sc= 1.15 USER MOD Single : A 114 HIS : no HD1:sc= 1.12 K(o=1.1,f=-3.6!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -146:sc= 0.152 (180deg=-0.0459) USER MOD Single : A 125 GLN : amide:sc= 2.97 K(o=3,f=2.2) USER MOD Single : A 131 SER OG : rot -138:sc= 2.38 USER MOD Single : A 133 THR OG1 : rot -9:sc= 1.25 USER MOD Single : A 134 LYS NZ :NH3+ 164:sc= -0.051 (180deg=-0.203) USER MOD Single : A 136 ASN : amide:sc= 2.13 X(o=2.1,f=2.1) USER MOD Single : A 138 SER OG : rot 96:sc= 1.54 USER MOD Single : A 139 TYR OH : rot 170:sc= 1.19 USER MOD Single : A 141 LYS NZ :NH3+ -160:sc= -3.22! (180deg=-3.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 -35.008 27.020 280.000 1.00 38.62 N ATOM 2 CA SER A 2 -35.557 28.288 279.534 1.00 37.67 C ATOM 3 C SER A 2 -36.819 28.047 278.707 1.00 46.74 C ATOM 4 O SER A 2 -37.728 27.335 279.142 1.00 47.61 O ATOM 5 CB SER A 2 -34.515 29.061 278.718 1.00 31.19 C ATOM 0 HA SER A 2 -35.793 28.824 280.307 1.00 37.67 H new ATOM 6 N LEU A 3 -36.869 28.638 277.511 1.00 41.04 N ATOM 7 CA LEU A 3 -38.078 28.554 276.697 1.00 46.04 C ATOM 8 C LEU A 3 -38.355 27.118 276.259 1.00 42.68 C ATOM 9 O LEU A 3 -39.460 26.600 276.461 1.00 44.72 O ATOM 10 CB LEU A 3 -37.957 29.482 275.485 1.00 47.16 C ATOM 11 CG LEU A 3 -39.254 29.839 274.750 1.00 54.77 C ATOM 12 CD1 LEU A 3 -39.215 31.284 274.266 1.00 54.76 C ATOM 13 CD2 LEU A 3 -39.523 28.888 273.585 1.00 48.46 C ATOM 0 H LEU A 3 -36.224 29.085 277.159 1.00 41.04 H new ATOM 0 HA LEU A 3 -38.831 28.841 277.237 1.00 46.04 H new ATOM 0 HB2 LEU A 3 -37.539 30.307 275.778 1.00 47.16 H new ATOM 0 HB3 LEU A 3 -37.353 29.069 274.848 1.00 47.16 H new ATOM 0 HG LEU A 3 -39.985 29.742 275.381 1.00 54.77 H new ATOM 0 HD11 LEU A 3 -40.042 31.493 273.804 1.00 54.76 H new ATOM 0 HD12 LEU A 3 -39.111 31.877 275.026 1.00 54.76 H new ATOM 0 HD13 LEU A 3 -38.467 31.402 273.659 1.00 54.76 H new ATOM 0 HD21 LEU A 3 -40.349 29.142 273.144 1.00 48.46 H new ATOM 0 HD22 LEU A 3 -38.790 28.937 272.952 1.00 48.46 H new ATOM 0 HD23 LEU A 3 -39.601 27.981 273.919 1.00 48.46 H new ATOM 14 N LEU A 4 -37.361 26.456 275.662 1.00 39.60 N ATOM 15 CA LEU A 4 -37.499 25.107 275.124 1.00 30.49 C ATOM 16 C LEU A 4 -37.266 24.069 276.220 1.00 25.28 C ATOM 17 O LEU A 4 -36.362 24.228 277.043 1.00 32.68 O ATOM 18 CB LEU A 4 -36.508 24.884 273.983 1.00 20.34 C ATOM 19 CG LEU A 4 -36.518 25.962 272.894 1.00 27.67 C ATOM 20 CD1 LEU A 4 -35.316 25.843 271.964 1.00 19.47 C ATOM 21 CD2 LEU A 4 -37.811 25.901 272.103 1.00 34.33 C ATOM 0 H LEU A 4 -36.574 26.788 275.558 1.00 39.60 H new ATOM 0 HA LEU A 4 -38.401 25.007 274.782 1.00 30.49 H new ATOM 0 HB2 LEU A 4 -35.614 24.829 274.356 1.00 20.34 H new ATOM 0 HB3 LEU A 4 -36.697 24.026 273.571 1.00 20.34 H new ATOM 0 HG LEU A 4 -36.458 26.824 273.335 1.00 27.67 H new ATOM 0 HD11 LEU A 4 -35.357 26.540 271.291 1.00 19.47 H new ATOM 0 HD12 LEU A 4 -34.499 25.938 272.478 1.00 19.47 H new ATOM 0 HD13 LEU A 4 -35.326 24.975 271.531 1.00 19.47 H new ATOM 0 HD21 LEU A 4 -37.804 26.588 271.418 1.00 34.33 H new ATOM 0 HD22 LEU A 4 -37.894 25.029 271.686 1.00 34.33 H new ATOM 0 HD23 LEU A 4 -38.562 26.047 272.699 1.00 34.33 H new ATOM 22 N PRO A 5 -38.072 23.010 276.267 1.00 15.47 N ATOM 23 CA PRO A 5 -37.916 22.014 277.333 1.00 16.75 C ATOM 24 C PRO A 5 -36.717 21.112 277.084 1.00 16.73 C ATOM 25 O PRO A 5 -36.445 20.712 275.951 1.00 18.63 O ATOM 26 CB PRO A 5 -39.224 21.218 277.263 1.00 27.60 C ATOM 27 CG PRO A 5 -39.599 21.294 275.805 1.00 30.47 C ATOM 28 CD PRO A 5 -39.186 22.682 275.358 1.00 26.48 C ATOM 0 HA PRO A 5 -37.757 22.416 278.201 1.00 16.75 H new ATOM 0 HB2 PRO A 5 -39.101 20.301 277.554 1.00 27.60 H new ATOM 0 HB3 PRO A 5 -39.909 21.605 277.830 1.00 27.60 H new ATOM 0 HG2 PRO A 5 -39.143 20.610 275.290 1.00 30.47 H new ATOM 0 HG3 PRO A 5 -40.551 21.155 275.681 1.00 30.47 H new ATOM 0 HD2 PRO A 5 -38.906 22.691 274.429 1.00 26.48 H new ATOM 0 HD3 PRO A 5 -39.915 23.317 275.440 1.00 26.48 H new ATOM 29 N VAL A 6 -35.996 20.793 278.151 1.00 11.66 N ATOM 30 CA VAL A 6 -34.840 19.903 278.093 1.00 10.59 C ATOM 31 C VAL A 6 -35.133 18.707 278.984 1.00 11.03 C ATOM 32 O VAL A 6 -35.530 18.894 280.138 1.00 13.63 O ATOM 33 CB VAL A 6 -33.542 20.595 278.544 1.00 10.59 C ATOM 34 CG1 VAL A 6 -32.386 19.593 278.573 1.00 11.23 C ATOM 35 CG2 VAL A 6 -33.222 21.758 277.630 1.00 11.11 C ATOM 0 H VAL A 6 -36.165 21.090 278.940 1.00 11.66 H new ATOM 0 HA VAL A 6 -34.699 19.630 277.173 1.00 10.59 H new ATOM 0 HB VAL A 6 -33.668 20.939 279.442 1.00 10.59 H new ATOM 0 HG11 VAL A 6 -31.575 20.042 278.859 1.00 11.23 H new ATOM 0 HG12 VAL A 6 -32.594 18.877 279.193 1.00 11.23 H new ATOM 0 HG13 VAL A 6 -32.255 19.224 277.686 1.00 11.23 H new ATOM 0 HG21 VAL A 6 -32.403 22.185 277.925 1.00 11.11 H new ATOM 0 HG22 VAL A 6 -33.110 21.435 276.722 1.00 11.11 H new ATOM 0 HG23 VAL A 6 -33.949 22.400 277.657 1.00 11.11 H new ATOM 36 N PRO A 7 -34.949 17.453 278.509 1.00 10.29 N ATOM 37 CA PRO A 7 -34.486 17.000 277.187 1.00 9.06 C ATOM 38 C PRO A 7 -35.332 17.496 276.043 1.00 10.15 C ATOM 39 O PRO A 7 -36.563 17.496 276.118 1.00 13.37 O ATOM 40 CB PRO A 7 -34.595 15.476 277.269 1.00 12.63 C ATOM 41 CG PRO A 7 -34.458 15.180 278.732 1.00 14.86 C ATOM 42 CD PRO A 7 -35.156 16.311 279.421 1.00 13.76 C ATOM 0 HA PRO A 7 -33.595 17.338 277.006 1.00 9.06 H new ATOM 0 HB2 PRO A 7 -35.444 15.162 276.921 1.00 12.63 H new ATOM 0 HB3 PRO A 7 -33.898 15.042 276.752 1.00 12.63 H new ATOM 0 HG2 PRO A 7 -34.862 14.328 278.958 1.00 14.86 H new ATOM 0 HG3 PRO A 7 -33.526 15.130 278.995 1.00 14.86 H new ATOM 0 HD2 PRO A 7 -36.099 16.123 279.549 1.00 13.76 H new ATOM 0 HD3 PRO A 7 -34.779 16.482 280.298 1.00 13.76 H new ATOM 43 N TYR A 8 -34.660 17.903 274.980 1.00 7.86 N ATOM 44 CA TYR A 8 -35.317 18.459 273.810 1.00 9.02 C ATOM 45 C TYR A 8 -35.178 17.490 272.648 1.00 10.29 C ATOM 46 O TYR A 8 -34.065 17.077 272.317 1.00 8.87 O ATOM 47 CB TYR A 8 -34.705 19.809 273.430 1.00 9.42 C ATOM 48 CG TYR A 8 -35.412 20.401 272.237 1.00 12.24 C ATOM 49 CD1 TYR A 8 -36.649 21.001 272.382 1.00 17.69 C ATOM 50 CD2 TYR A 8 -34.861 20.318 270.970 1.00 11.52 C ATOM 51 CE1 TYR A 8 -37.312 21.529 271.300 1.00 21.39 C ATOM 52 CE2 TYR A 8 -35.522 20.836 269.871 1.00 11.90 C ATOM 53 CZ TYR A 8 -36.742 21.442 270.046 1.00 20.05 C ATOM 54 OH TYR A 8 -37.410 21.964 268.962 1.00 22.81 O ATOM 0 H TYR A 8 -33.803 17.864 274.916 1.00 7.86 H new ATOM 0 HA TYR A 8 -36.255 18.596 274.016 1.00 9.02 H new ATOM 0 HB2 TYR A 8 -34.765 20.419 274.182 1.00 9.42 H new ATOM 0 HB3 TYR A 8 -33.763 19.697 273.230 1.00 9.42 H new ATOM 0 HD1 TYR A 8 -37.039 21.048 273.225 1.00 17.69 H new ATOM 0 HD2 TYR A 8 -34.034 19.908 270.856 1.00 11.52 H new ATOM 0 HE1 TYR A 8 -38.138 21.942 271.412 1.00 21.39 H new ATOM 0 HE2 TYR A 8 -35.145 20.775 269.023 1.00 11.90 H new ATOM 0 HH TYR A 8 -36.936 21.881 268.274 1.00 22.81 H new ATOM 55 N THR A 9 -36.300 17.146 272.019 1.00 9.22 N ATOM 56 CA THR A 9 -36.303 16.216 270.895 1.00 10.24 C ATOM 57 C THR A 9 -36.992 16.869 269.707 1.00 10.31 C ATOM 58 O THR A 9 -38.083 17.428 269.849 1.00 12.83 O ATOM 59 CB THR A 9 -37.016 14.908 271.256 1.00 12.27 C ATOM 60 OG1 THR A 9 -36.348 14.281 272.362 1.00 15.38 O ATOM 61 CG2 THR A 9 -37.044 13.957 270.057 1.00 14.74 C ATOM 0 H THR A 9 -37.078 17.445 272.232 1.00 9.22 H new ATOM 0 HA THR A 9 -35.384 16.002 270.670 1.00 10.24 H new ATOM 0 HB THR A 9 -37.931 15.113 271.505 1.00 12.27 H new ATOM 0 HG1 THR A 9 -36.623 14.615 273.082 1.00 15.38 H new ATOM 0 HG21 THR A 9 -37.498 13.137 270.305 1.00 14.74 H new ATOM 0 HG22 THR A 9 -37.516 14.378 269.321 1.00 14.74 H new ATOM 0 HG23 THR A 9 -36.136 13.753 269.784 1.00 14.74 H new ATOM 62 N GLU A 10 -36.354 16.814 268.540 1.00 8.03 N ATOM 63 CA GLU A 10 -36.992 17.282 267.316 1.00 8.67 C ATOM 64 C GLU A 10 -36.739 16.274 266.204 1.00 9.37 C ATOM 65 O GLU A 10 -35.594 15.861 265.990 1.00 10.48 O ATOM 66 CB GLU A 10 -36.471 18.672 266.916 1.00 9.30 C ATOM 67 CG GLU A 10 -37.207 19.332 265.735 1.00 12.76 C ATOM 68 CD GLU A 10 -36.785 20.786 265.519 1.00 13.73 C ATOM 69 OE1 GLU A 10 -36.797 21.563 266.501 1.00 14.11 O ATOM 70 OE2 GLU A 10 -36.440 21.148 264.372 1.00 14.46 O ATOM 0 H GLU A 10 -35.556 16.511 268.437 1.00 8.03 H new ATOM 0 HA GLU A 10 -37.947 17.362 267.469 1.00 8.67 H new ATOM 0 HB2 GLU A 10 -36.533 19.259 267.686 1.00 9.30 H new ATOM 0 HB3 GLU A 10 -35.530 18.597 266.691 1.00 9.30 H new ATOM 0 HG2 GLU A 10 -37.034 18.825 264.926 1.00 12.76 H new ATOM 0 HG3 GLU A 10 -38.163 19.296 265.893 1.00 12.76 H new ATOM 71 N ALA A 11 -37.799 15.865 265.503 1.00 7.18 N ATOM 72 CA ALA A 11 -37.594 15.116 264.268 1.00 6.92 C ATOM 73 C ALA A 11 -36.748 15.945 263.311 1.00 6.08 C ATOM 74 O ALA A 11 -36.882 17.169 263.249 1.00 8.06 O ATOM 75 CB ALA A 11 -38.939 14.768 263.620 1.00 8.30 C ATOM 0 H ALA A 11 -38.619 16.006 265.718 1.00 7.18 H new ATOM 0 HA ALA A 11 -37.133 14.287 264.472 1.00 6.92 H new ATOM 0 HB1 ALA A 11 -38.785 14.271 262.801 1.00 8.30 H new ATOM 0 HB2 ALA A 11 -39.463 14.228 264.232 1.00 8.30 H new ATOM 0 HB3 ALA A 11 -39.421 15.585 263.416 1.00 8.30 H new ATOM 76 N ALA A 12 -35.861 15.281 262.567 1.00 7.18 N ATOM 77 CA ALA A 12 -34.895 16.022 261.769 1.00 7.15 C ATOM 78 C ALA A 12 -34.440 15.197 260.579 1.00 7.20 C ATOM 79 O ALA A 12 -34.445 13.965 260.620 1.00 9.96 O ATOM 80 CB ALA A 12 -33.678 16.424 262.615 1.00 9.02 C ATOM 0 H ALA A 12 -35.805 14.425 262.513 1.00 7.18 H new ATOM 0 HA ALA A 12 -35.331 16.827 261.448 1.00 7.15 H new ATOM 0 HB1 ALA A 12 -33.049 16.916 262.064 1.00 9.02 H new ATOM 0 HB2 ALA A 12 -33.967 16.984 263.353 1.00 9.02 H new ATOM 0 HB3 ALA A 12 -33.248 15.627 262.963 1.00 9.02 H new ATOM 81 N SER A 13 -34.041 15.895 259.517 1.00 7.34 N ATOM 82 CA SER A 13 -33.294 15.301 258.421 1.00 9.17 C ATOM 83 C SER A 13 -32.063 16.150 258.169 1.00 9.57 C ATOM 84 O SER A 13 -32.087 17.373 258.346 1.00 9.27 O ATOM 85 CB SER A 13 -34.116 15.213 257.130 1.00 11.84 C ATOM 86 OG SER A 13 -35.312 14.504 257.359 1.00 13.32 O ATOM 0 H SER A 13 -34.200 16.734 259.416 1.00 7.34 H new ATOM 0 HA SER A 13 -33.057 14.395 258.674 1.00 9.17 H new ATOM 0 HB2 SER A 13 -34.318 16.105 256.807 1.00 11.84 H new ATOM 0 HB3 SER A 13 -33.598 14.771 256.439 1.00 11.84 H new ATOM 0 HG SER A 13 -35.132 13.708 257.558 1.00 13.32 H new ATOM 87 N LEU A 14 -30.987 15.482 257.767 1.00 8.85 N ATOM 88 CA LEU A 14 -29.699 16.116 257.528 1.00 7.71 C ATOM 89 C LEU A 14 -29.120 15.644 256.205 1.00 10.12 C ATOM 90 O LEU A 14 -29.250 14.473 255.834 1.00 10.74 O ATOM 91 CB LEU A 14 -28.698 15.791 258.650 1.00 7.15 C ATOM 92 CG LEU A 14 -29.085 16.167 260.077 1.00 6.56 C ATOM 93 CD1 LEU A 14 -28.016 15.677 261.026 1.00 8.75 C ATOM 94 CD2 LEU A 14 -29.281 17.665 260.200 1.00 8.87 C ATOM 0 H LEU A 14 -30.986 14.634 257.624 1.00 8.85 H new ATOM 0 HA LEU A 14 -29.846 17.075 257.505 1.00 7.71 H new ATOM 0 HB2 LEU A 14 -28.526 14.837 258.629 1.00 7.15 H new ATOM 0 HB3 LEU A 14 -27.861 16.235 258.441 1.00 7.15 H new ATOM 0 HG LEU A 14 -29.927 15.744 260.306 1.00 6.56 H new ATOM 0 HD11 LEU A 14 -28.257 15.914 261.935 1.00 8.75 H new ATOM 0 HD12 LEU A 14 -27.936 14.713 260.954 1.00 8.75 H new ATOM 0 HD13 LEU A 14 -27.168 16.089 260.799 1.00 8.75 H new ATOM 0 HD21 LEU A 14 -29.526 17.886 261.112 1.00 8.87 H new ATOM 0 HD22 LEU A 14 -28.456 18.120 259.968 1.00 8.87 H new ATOM 0 HD23 LEU A 14 -29.986 17.950 259.598 1.00 8.87 H new ATOM 95 N SER A 15 -28.463 16.563 255.510 1.00 9.86 N ATOM 96 CA SER A 15 -27.668 16.233 254.338 1.00 11.13 C ATOM 97 C SER A 15 -26.537 17.247 254.262 1.00 11.88 C ATOM 98 O SER A 15 -26.450 18.157 255.082 1.00 9.23 O ATOM 99 CB SER A 15 -28.524 16.234 253.070 1.00 14.43 C ATOM 100 OG SER A 15 -29.150 17.490 252.890 1.00 20.48 O ATOM 0 H SER A 15 -28.466 17.400 255.707 1.00 9.86 H new ATOM 0 HA SER A 15 -27.305 15.337 254.411 1.00 11.13 H new ATOM 0 HB2 SER A 15 -27.970 16.030 252.300 1.00 14.43 H new ATOM 0 HB3 SER A 15 -29.197 15.538 253.128 1.00 14.43 H new ATOM 0 HG SER A 15 -28.825 17.871 252.215 1.00 20.48 H new ATOM 101 N THR A 16 -25.664 17.089 253.269 1.00 12.68 N ATOM 102 CA THR A 16 -24.588 18.058 253.101 1.00 11.82 C ATOM 103 C THR A 16 -25.156 19.466 252.987 1.00 11.71 C ATOM 104 O THR A 16 -26.061 19.726 252.185 1.00 14.14 O ATOM 105 CB THR A 16 -23.755 17.721 251.869 1.00 11.06 C ATOM 106 OG1 THR A 16 -23.166 16.432 252.045 1.00 15.30 O ATOM 107 CG2 THR A 16 -22.644 18.750 251.682 1.00 17.49 C ATOM 0 H THR A 16 -25.676 16.446 252.698 1.00 12.68 H new ATOM 0 HA THR A 16 -24.013 18.018 253.882 1.00 11.82 H new ATOM 0 HB THR A 16 -24.329 17.728 251.087 1.00 11.06 H new ATOM 0 HG1 THR A 16 -22.789 16.196 251.332 1.00 15.30 H new ATOM 0 HG21 THR A 16 -22.122 18.524 250.896 1.00 17.49 H new ATOM 0 HG22 THR A 16 -23.034 19.631 251.568 1.00 17.49 H new ATOM 0 HG23 THR A 16 -22.068 18.750 252.463 1.00 17.49 H new ATOM 108 N GLY A 17 -24.635 20.372 253.804 1.00 10.86 N ATOM 109 CA GLY A 17 -25.120 21.732 253.851 1.00 12.99 C ATOM 110 C GLY A 17 -26.073 22.024 254.991 1.00 12.06 C ATOM 111 O GLY A 17 -26.335 23.201 255.268 1.00 13.89 O ATOM 0 H GLY A 17 -23.988 20.210 254.347 1.00 10.86 H new ATOM 0 HA2 GLY A 17 -24.360 22.331 253.919 1.00 12.99 H new ATOM 0 HA3 GLY A 17 -25.566 21.933 253.013 1.00 12.99 H new ATOM 112 N SER A 18 -26.588 20.995 255.662 1.00 9.39 N ATOM 113 CA SER A 18 -27.443 21.209 256.822 1.00 8.90 C ATOM 114 C SER A 18 -26.633 21.783 257.976 1.00 10.01 C ATOM 115 O SER A 18 -25.466 21.430 258.172 1.00 11.11 O ATOM 116 CB SER A 18 -28.088 19.895 257.267 1.00 8.32 C ATOM 117 OG SER A 18 -28.959 19.370 256.281 1.00 10.17 O ATOM 0 H SER A 18 -26.454 20.170 255.461 1.00 9.39 H new ATOM 0 HA SER A 18 -28.139 21.836 256.570 1.00 8.90 H new ATOM 0 HB2 SER A 18 -27.395 19.246 257.464 1.00 8.32 H new ATOM 0 HB3 SER A 18 -28.582 20.040 258.089 1.00 8.32 H new ATOM 0 HG SER A 18 -29.726 19.269 256.609 1.00 10.17 H new ATOM 118 N THR A 19 -27.259 22.666 258.749 1.00 7.89 N ATOM 119 CA THR A 19 -26.637 23.223 259.941 1.00 8.41 C ATOM 120 C THR A 19 -27.612 23.096 261.099 1.00 9.01 C ATOM 121 O THR A 19 -28.786 23.449 260.961 1.00 9.44 O ATOM 122 CB THR A 19 -26.242 24.686 259.741 1.00 12.47 C ATOM 123 OG1 THR A 19 -25.295 24.778 258.667 1.00 16.37 O ATOM 124 CG2 THR A 19 -25.615 25.253 261.012 1.00 11.99 C ATOM 0 H THR A 19 -28.054 22.957 258.596 1.00 7.89 H new ATOM 0 HA THR A 19 -25.823 22.730 260.129 1.00 8.41 H new ATOM 0 HB THR A 19 -27.039 25.198 259.530 1.00 12.47 H new ATOM 0 HG1 THR A 19 -25.694 24.990 257.959 1.00 16.37 H new ATOM 0 HG21 THR A 19 -25.371 26.181 260.867 1.00 11.99 H new ATOM 0 HG22 THR A 19 -26.253 25.197 261.741 1.00 11.99 H new ATOM 0 HG23 THR A 19 -24.822 24.742 261.238 1.00 11.99 H new ATOM 125 N VAL A 20 -27.126 22.600 262.234 1.00 7.25 N ATOM 126 CA VAL A 20 -27.906 22.528 263.465 1.00 6.71 C ATOM 127 C VAL A 20 -27.373 23.597 264.416 1.00 8.36 C ATOM 128 O VAL A 20 -26.195 23.574 264.794 1.00 11.06 O ATOM 129 CB VAL A 20 -27.830 21.133 264.101 1.00 7.41 C ATOM 130 CG1 VAL A 20 -28.693 21.075 265.364 1.00 8.66 C ATOM 131 CG2 VAL A 20 -28.285 20.072 263.102 1.00 8.82 C ATOM 0 H VAL A 20 -26.326 22.293 262.311 1.00 7.25 H new ATOM 0 HA VAL A 20 -28.843 22.688 263.271 1.00 6.71 H new ATOM 0 HB VAL A 20 -26.909 20.955 264.347 1.00 7.41 H new ATOM 0 HG11 VAL A 20 -28.636 20.189 265.755 1.00 8.66 H new ATOM 0 HG12 VAL A 20 -28.375 21.731 266.004 1.00 8.66 H new ATOM 0 HG13 VAL A 20 -29.616 21.268 265.135 1.00 8.66 H new ATOM 0 HG21 VAL A 20 -28.233 19.196 263.514 1.00 8.82 H new ATOM 0 HG22 VAL A 20 -29.201 20.250 262.836 1.00 8.82 H new ATOM 0 HG23 VAL A 20 -27.711 20.096 262.320 1.00 8.82 H new ATOM 132 N THR A 21 -28.239 24.529 264.806 1.00 6.74 N ATOM 133 CA THR A 21 -27.859 25.662 265.639 1.00 7.21 C ATOM 134 C THR A 21 -28.543 25.536 266.992 1.00 8.99 C ATOM 135 O THR A 21 -29.760 25.334 267.057 1.00 9.82 O ATOM 136 CB THR A 21 -28.245 26.988 264.985 1.00 9.87 C ATOM 137 OG1 THR A 21 -27.649 27.072 263.681 1.00 13.46 O ATOM 138 CG2 THR A 21 -27.769 28.164 265.838 1.00 13.20 C ATOM 0 H THR A 21 -29.072 24.520 264.591 1.00 6.74 H new ATOM 0 HA THR A 21 -26.895 25.655 265.750 1.00 7.21 H new ATOM 0 HB THR A 21 -29.211 27.028 264.908 1.00 9.87 H new ATOM 0 HG1 THR A 21 -27.129 27.731 263.652 1.00 13.46 H new ATOM 0 HG21 THR A 21 -28.021 28.997 265.410 1.00 13.20 H new ATOM 0 HG22 THR A 21 -28.179 28.114 266.716 1.00 13.20 H new ATOM 0 HG23 THR A 21 -26.804 28.127 265.930 1.00 13.20 H new ATOM 139 N ILE A 22 -27.762 25.653 268.064 1.00 7.47 N ATOM 140 CA ILE A 22 -28.234 25.431 269.426 1.00 9.29 C ATOM 141 C ILE A 22 -27.716 26.572 270.291 1.00 10.90 C ATOM 142 O ILE A 22 -26.501 26.777 270.385 1.00 11.20 O ATOM 143 CB ILE A 22 -27.755 24.077 269.982 1.00 11.61 C ATOM 144 CG1 ILE A 22 -28.201 22.927 269.069 1.00 12.93 C ATOM 145 CG2 ILE A 22 -28.239 23.879 271.404 1.00 15.38 C ATOM 146 CD1 ILE A 22 -27.509 21.611 269.353 1.00 14.33 C ATOM 0 H ILE A 22 -26.930 25.867 268.018 1.00 7.47 H new ATOM 0 HA ILE A 22 -29.204 25.409 269.431 1.00 9.29 H new ATOM 0 HB ILE A 22 -26.785 24.078 270.000 1.00 11.61 H new ATOM 0 HG12 ILE A 22 -29.159 22.805 269.163 1.00 12.93 H new ATOM 0 HG13 ILE A 22 -28.036 23.176 268.146 1.00 12.93 H new ATOM 0 HG21 ILE A 22 -27.928 23.022 271.736 1.00 15.38 H new ATOM 0 HG22 ILE A 22 -27.891 24.589 271.966 1.00 15.38 H new ATOM 0 HG23 ILE A 22 -29.209 23.899 271.422 1.00 15.38 H new ATOM 0 HD11 ILE A 22 -27.838 20.934 268.742 1.00 14.33 H new ATOM 0 HD12 ILE A 22 -26.552 21.716 269.234 1.00 14.33 H new ATOM 0 HD13 ILE A 22 -27.693 21.339 270.266 1.00 14.33 H new ATOM 147 N LYS A 23 -28.619 27.322 270.910 1.00 9.44 N ATOM 148 CA LYS A 23 -28.234 28.361 271.856 1.00 10.42 C ATOM 149 C LYS A 23 -28.748 27.972 273.231 1.00 8.81 C ATOM 150 O LYS A 23 -29.929 27.640 273.379 1.00 8.96 O ATOM 151 CB LYS A 23 -28.783 29.733 271.444 1.00 11.54 C ATOM 152 CG LYS A 23 -28.299 30.869 272.328 1.00 18.88 C ATOM 153 CD LYS A 23 -28.811 32.214 271.840 1.00 28.81 C ATOM 154 CE LYS A 23 -28.345 32.494 270.423 1.00 28.38 C ATOM 155 NZ LYS A 23 -28.669 33.890 270.001 1.00 37.45 N ATOM 0 H LYS A 23 -29.468 27.244 270.795 1.00 9.44 H new ATOM 0 HA LYS A 23 -27.267 28.436 271.869 1.00 10.42 H new ATOM 0 HB2 LYS A 23 -28.525 29.914 270.527 1.00 11.54 H new ATOM 0 HB3 LYS A 23 -29.752 29.706 271.466 1.00 11.54 H new ATOM 0 HG2 LYS A 23 -28.596 30.720 273.239 1.00 18.88 H new ATOM 0 HG3 LYS A 23 -27.329 30.877 272.344 1.00 18.88 H new ATOM 0 HD2 LYS A 23 -29.780 32.226 271.873 1.00 28.81 H new ATOM 0 HD3 LYS A 23 -28.498 32.916 272.431 1.00 28.81 H new ATOM 0 HE2 LYS A 23 -27.387 32.351 270.363 1.00 28.38 H new ATOM 0 HE3 LYS A 23 -28.764 31.866 269.814 1.00 28.38 H new ATOM 0 HZ1 LYS A 23 -28.384 34.022 269.168 1.00 37.45 H new ATOM 0 HZ2 LYS A 23 -29.550 34.014 270.036 1.00 37.45 H new ATOM 0 HZ3 LYS A 23 -28.267 34.466 270.547 1.00 37.45 H new ATOM 156 N GLY A 24 -27.862 27.992 274.220 1.00 9.24 N ATOM 157 CA GLY A 24 -28.261 27.632 275.566 1.00 10.31 C ATOM 158 C GLY A 24 -27.221 28.041 276.586 1.00 9.01 C ATOM 159 O GLY A 24 -26.299 28.802 276.294 1.00 10.97 O ATOM 0 H GLY A 24 -27.035 28.209 274.131 1.00 9.24 H new ATOM 0 HA2 GLY A 24 -29.107 28.057 275.778 1.00 10.31 H new ATOM 0 HA3 GLY A 24 -28.404 26.674 275.616 1.00 10.31 H new ATOM 160 N ARG A 25 -27.401 27.535 277.811 1.00 7.93 N ATOM 161 CA ARG A 25 -26.610 27.922 278.964 1.00 11.02 C ATOM 162 C ARG A 25 -26.473 26.725 279.896 1.00 8.35 C ATOM 163 O ARG A 25 -27.462 26.012 280.110 1.00 9.17 O ATOM 164 CB ARG A 25 -27.297 29.067 279.708 1.00 12.95 C ATOM 165 CG ARG A 25 -26.471 29.754 280.734 1.00 20.38 C ATOM 166 CD ARG A 25 -27.330 30.819 281.403 1.00 26.41 C ATOM 167 NE ARG A 25 -26.803 32.155 281.171 1.00 33.56 N ATOM 168 CZ ARG A 25 -25.687 32.615 281.721 1.00 34.04 C ATOM 169 NH1 ARG A 25 -24.989 31.842 282.546 1.00 33.36 N ATOM 170 NH2 ARG A 25 -25.274 33.848 281.457 1.00 36.95 N ATOM 0 H ARG A 25 -28.001 26.945 277.990 1.00 7.93 H new ATOM 0 HA ARG A 25 -25.734 28.216 278.670 1.00 11.02 H new ATOM 0 HB2 ARG A 25 -27.589 29.725 279.058 1.00 12.95 H new ATOM 0 HB3 ARG A 25 -28.094 28.720 280.138 1.00 12.95 H new ATOM 0 HG2 ARG A 25 -26.149 29.117 281.391 1.00 20.38 H new ATOM 0 HG3 ARG A 25 -25.690 30.158 280.324 1.00 20.38 H new ATOM 0 HD2 ARG A 25 -28.237 30.765 281.063 1.00 26.41 H new ATOM 0 HD3 ARG A 25 -27.374 30.649 282.357 1.00 26.41 H new ATOM 0 HE ARG A 25 -27.241 32.677 280.646 1.00 33.56 H new ATOM 0 HH11 ARG A 25 -25.261 31.045 282.722 1.00 33.36 H new ATOM 0 HH12 ARG A 25 -24.265 32.138 282.904 1.00 33.36 H new ATOM 0 HH21 ARG A 25 -25.730 34.350 280.929 1.00 36.95 H new ATOM 0 HH22 ARG A 25 -24.550 34.145 281.814 1.00 36.95 H new ATOM 171 N PRO A 26 -25.295 26.480 280.474 1.00 9.36 N ATOM 172 CA PRO A 26 -25.186 25.415 281.480 1.00 7.75 C ATOM 173 C PRO A 26 -26.001 25.749 282.720 1.00 9.08 C ATOM 174 O PRO A 26 -26.165 26.917 283.093 1.00 10.95 O ATOM 175 CB PRO A 26 -23.685 25.370 281.794 1.00 12.19 C ATOM 176 CG PRO A 26 -23.010 26.089 280.634 1.00 10.97 C ATOM 177 CD PRO A 26 -24.000 27.129 280.203 1.00 10.43 C ATOM 0 HA PRO A 26 -25.529 24.563 281.168 1.00 7.75 H new ATOM 0 HB2 PRO A 26 -23.491 25.807 282.638 1.00 12.19 H new ATOM 0 HB3 PRO A 26 -23.370 24.456 281.870 1.00 12.19 H new ATOM 0 HG2 PRO A 26 -22.172 26.493 280.909 1.00 10.97 H new ATOM 0 HG3 PRO A 26 -22.805 25.476 279.911 1.00 10.97 H new ATOM 0 HD2 PRO A 26 -23.898 27.953 280.705 1.00 10.43 H new ATOM 0 HD3 PRO A 26 -23.900 27.354 279.265 1.00 10.43 H new ATOM 178 N LEU A 27 -26.507 24.698 283.362 1.00 8.02 N ATOM 179 CA LEU A 27 -27.304 24.835 284.576 1.00 8.53 C ATOM 180 C LEU A 27 -26.458 24.923 285.839 1.00 10.94 C ATOM 181 O LEU A 27 -27.016 25.094 286.930 1.00 13.66 O ATOM 182 CB LEU A 27 -28.265 23.656 284.701 1.00 8.73 C ATOM 183 CG LEU A 27 -29.347 23.556 283.622 1.00 10.87 C ATOM 184 CD1 LEU A 27 -30.155 22.278 283.800 1.00 11.21 C ATOM 185 CD2 LEU A 27 -30.253 24.771 283.647 1.00 13.63 C ATOM 0 H LEU A 27 -26.397 23.885 283.104 1.00 8.02 H new ATOM 0 HA LEU A 27 -27.791 25.670 284.494 1.00 8.53 H new ATOM 0 HB2 LEU A 27 -27.746 22.836 284.691 1.00 8.73 H new ATOM 0 HB3 LEU A 27 -28.700 23.706 285.567 1.00 8.73 H new ATOM 0 HG LEU A 27 -28.911 23.528 282.756 1.00 10.87 H new ATOM 0 HD11 LEU A 27 -30.836 22.227 283.111 1.00 11.21 H new ATOM 0 HD12 LEU A 27 -29.566 21.510 283.730 1.00 11.21 H new ATOM 0 HD13 LEU A 27 -30.578 22.281 284.673 1.00 11.21 H new ATOM 0 HD21 LEU A 27 -30.929 24.685 282.956 1.00 13.63 H new ATOM 0 HD22 LEU A 27 -30.684 24.836 284.514 1.00 13.63 H new ATOM 0 HD23 LEU A 27 -29.727 25.570 283.487 1.00 13.63 H new ATOM 186 N ALA A 28 -25.140 24.789 285.725 1.00 8.70 N ATOM 187 CA ALA A 28 -24.270 24.814 286.891 1.00 9.34 C ATOM 188 C ALA A 28 -22.950 25.469 286.524 1.00 10.58 C ATOM 189 O ALA A 28 -22.546 25.477 285.357 1.00 9.69 O ATOM 190 CB ALA A 28 -24.023 23.403 287.440 1.00 10.22 C ATOM 0 H ALA A 28 -24.730 24.682 284.977 1.00 8.70 H new ATOM 0 HA ALA A 28 -24.709 25.328 287.587 1.00 9.34 H new ATOM 0 HB1 ALA A 28 -23.441 23.454 288.214 1.00 10.22 H new ATOM 0 HB2 ALA A 28 -24.868 23.003 287.697 1.00 10.22 H new ATOM 0 HB3 ALA A 28 -23.603 22.858 286.756 1.00 10.22 H new ATOM 191 N CYS A 29 -22.285 26.021 287.532 1.00 9.79 N ATOM 192 CA CYS A 29 -20.922 26.493 287.350 1.00 10.72 C ATOM 193 C CYS A 29 -20.012 25.338 286.943 1.00 9.32 C ATOM 194 O CYS A 29 -20.263 24.166 287.243 1.00 9.32 O ATOM 195 CB CYS A 29 -20.390 27.136 288.633 1.00 15.64 C ATOM 196 SG CYS A 29 -20.184 26.015 290.057 1.00 17.57 S ATOM 0 H CYS A 29 -22.603 26.130 288.323 1.00 9.79 H new ATOM 0 HA CYS A 29 -20.929 27.161 286.647 1.00 10.72 H new ATOM 0 HB2 CYS A 29 -19.532 27.545 288.438 1.00 15.64 H new ATOM 0 HB3 CYS A 29 -20.993 27.851 288.890 1.00 15.64 H new ATOM 0 HG CYS A 29 -19.762 26.633 290.995 1.00 17.57 H new ATOM 197 N PHE A 30 -18.923 25.695 286.264 1.00 10.32 N ATOM 198 CA PHE A 30 -17.996 24.684 285.773 1.00 10.05 C ATOM 199 C PHE A 30 -17.372 23.870 286.905 1.00 10.35 C ATOM 200 O PHE A 30 -17.043 22.697 286.707 1.00 10.62 O ATOM 201 CB PHE A 30 -16.917 25.344 284.913 1.00 12.84 C ATOM 202 CG PHE A 30 -17.348 25.631 283.498 1.00 13.86 C ATOM 203 CD1 PHE A 30 -18.689 25.690 283.156 1.00 12.86 C ATOM 204 CD2 PHE A 30 -16.400 25.833 282.505 1.00 14.69 C ATOM 205 CE1 PHE A 30 -19.075 25.966 281.853 1.00 13.30 C ATOM 206 CE2 PHE A 30 -16.780 26.105 281.198 1.00 13.56 C ATOM 207 CZ PHE A 30 -18.119 26.173 280.874 1.00 12.06 C ATOM 0 H PHE A 30 -18.707 26.507 286.080 1.00 10.32 H new ATOM 0 HA PHE A 30 -18.500 24.059 285.229 1.00 10.05 H new ATOM 0 HB2 PHE A 30 -16.646 26.175 285.333 1.00 12.84 H new ATOM 0 HB3 PHE A 30 -16.136 24.769 284.893 1.00 12.84 H new ATOM 0 HD1 PHE A 30 -19.337 25.543 283.807 1.00 12.86 H new ATOM 0 HD2 PHE A 30 -15.496 25.785 282.718 1.00 14.69 H new ATOM 0 HE1 PHE A 30 -19.978 26.012 281.637 1.00 13.30 H new ATOM 0 HE2 PHE A 30 -16.134 26.241 280.543 1.00 13.56 H new ATOM 0 HZ PHE A 30 -18.379 26.357 280.000 1.00 12.06 H new ATOM 208 N LEU A 31 -17.208 24.459 288.100 1.00 10.02 N ATOM 209 CA LEU A 31 -16.682 23.694 289.229 1.00 10.52 C ATOM 210 C LEU A 31 -17.517 22.447 289.505 1.00 9.44 C ATOM 211 O LEU A 31 -16.982 21.431 289.962 1.00 12.55 O ATOM 212 CB LEU A 31 -16.613 24.574 290.482 1.00 12.32 C ATOM 213 CG LEU A 31 -15.886 23.986 291.689 1.00 14.05 C ATOM 214 CD1 LEU A 31 -14.392 23.946 291.423 1.00 17.53 C ATOM 215 CD2 LEU A 31 -16.172 24.798 292.953 1.00 13.63 C ATOM 0 H LEU A 31 -17.392 25.282 288.270 1.00 10.02 H new ATOM 0 HA LEU A 31 -15.787 23.403 288.994 1.00 10.52 H new ATOM 0 HB2 LEU A 31 -16.179 25.408 290.243 1.00 12.32 H new ATOM 0 HB3 LEU A 31 -17.519 24.792 290.750 1.00 12.32 H new ATOM 0 HG LEU A 31 -16.212 23.083 291.830 1.00 14.05 H new ATOM 0 HD11 LEU A 31 -13.936 23.572 292.193 1.00 17.53 H new ATOM 0 HD12 LEU A 31 -14.216 23.395 290.644 1.00 17.53 H new ATOM 0 HD13 LEU A 31 -14.068 24.846 291.262 1.00 17.53 H new ATOM 0 HD21 LEU A 31 -15.700 24.405 293.704 1.00 13.63 H new ATOM 0 HD22 LEU A 31 -15.872 25.712 292.826 1.00 13.63 H new ATOM 0 HD23 LEU A 31 -17.125 24.793 293.132 1.00 13.63 H new ATOM 216 N ASN A 32 -18.816 22.492 289.207 1.00 9.83 N ATOM 217 CA ASN A 32 -19.706 21.373 289.471 1.00 8.41 C ATOM 218 C ASN A 32 -19.844 20.424 288.282 1.00 8.52 C ATOM 219 O ASN A 32 -20.602 19.454 288.365 1.00 9.10 O ATOM 220 CB ASN A 32 -21.075 21.900 289.913 1.00 8.59 C ATOM 221 CG ASN A 32 -21.026 22.483 291.309 1.00 12.72 C ATOM 222 OD1 ASN A 32 -20.037 22.324 292.009 1.00 15.00 O ATOM 223 ND2 ASN A 32 -22.089 23.161 291.717 1.00 13.32 N ATOM 0 H ASN A 32 -19.201 23.172 288.847 1.00 9.83 H new ATOM 0 HA ASN A 32 -19.311 20.849 290.185 1.00 8.41 H new ATOM 0 HB2 ASN A 32 -21.378 22.578 289.289 1.00 8.59 H new ATOM 0 HB3 ASN A 32 -21.724 21.179 289.885 1.00 8.59 H new ATOM 0 HD21 ASN A 32 -22.101 23.510 292.503 1.00 13.32 H new ATOM 0 HD22 ASN A 32 -22.767 23.252 291.196 1.00 13.32 H new ATOM 224 N ALA A 33 -19.101 20.669 287.197 1.00 9.05 N ATOM 225 CA ALA A 33 -19.001 19.776 286.041 1.00 9.37 C ATOM 226 C ALA A 33 -20.354 19.432 285.426 1.00 8.38 C ATOM 227 O ALA A 33 -20.713 18.248 285.355 1.00 7.75 O ATOM 228 CB ALA A 33 -18.277 18.486 286.433 1.00 12.69 C ATOM 0 H ALA A 33 -18.628 21.382 287.113 1.00 9.05 H new ATOM 0 HA ALA A 33 -18.495 20.257 285.367 1.00 9.37 H new ATOM 0 HB1 ALA A 33 -18.216 17.902 285.661 1.00 12.69 H new ATOM 0 HB2 ALA A 33 -17.385 18.699 286.749 1.00 12.69 H new ATOM 0 HB3 ALA A 33 -18.771 18.039 287.138 1.00 12.69 H new ATOM 229 N PRO A 34 -21.121 20.414 284.964 1.00 8.05 N ATOM 230 CA PRO A 34 -22.328 20.098 284.196 1.00 7.59 C ATOM 231 C PRO A 34 -21.957 19.469 282.858 1.00 9.30 C ATOM 232 O PRO A 34 -20.844 19.642 282.350 1.00 8.15 O ATOM 233 CB PRO A 34 -22.987 21.467 284.005 1.00 9.12 C ATOM 234 CG PRO A 34 -21.816 22.418 283.955 1.00 8.56 C ATOM 235 CD PRO A 34 -20.797 21.856 284.919 1.00 9.30 C ATOM 0 HA PRO A 34 -22.912 19.459 284.634 1.00 7.59 H new ATOM 0 HB2 PRO A 34 -23.510 21.501 283.189 1.00 9.12 H new ATOM 0 HB3 PRO A 34 -23.588 21.679 284.736 1.00 9.12 H new ATOM 0 HG2 PRO A 34 -21.452 22.477 283.058 1.00 8.56 H new ATOM 0 HG3 PRO A 34 -22.083 23.314 284.212 1.00 8.56 H new ATOM 0 HD2 PRO A 34 -19.891 22.009 284.609 1.00 9.30 H new ATOM 0 HD3 PRO A 34 -20.870 22.266 285.795 1.00 9.30 H new ATOM 236 N TYR A 35 -22.906 18.716 282.299 1.00 6.48 N ATOM 237 CA TYR A 35 -22.747 18.080 280.996 1.00 9.10 C ATOM 238 C TYR A 35 -23.700 18.691 279.977 1.00 8.64 C ATOM 239 O TYR A 35 -24.714 19.300 280.322 1.00 8.88 O ATOM 240 CB TYR A 35 -22.981 16.559 281.068 1.00 9.05 C ATOM 241 CG TYR A 35 -21.903 15.819 281.824 1.00 15.75 C ATOM 242 CD1 TYR A 35 -21.781 15.959 283.193 1.00 21.41 C ATOM 243 CD2 TYR A 35 -20.973 15.017 281.160 1.00 24.79 C ATOM 244 CE1 TYR A 35 -20.783 15.307 283.906 1.00 22.65 C ATOM 245 CE2 TYR A 35 -19.966 14.350 281.870 1.00 24.31 C ATOM 246 CZ TYR A 35 -19.888 14.508 283.248 1.00 25.98 C ATOM 247 OH TYR A 35 -18.908 13.871 283.983 1.00 36.85 O ATOM 0 H TYR A 35 -23.666 18.560 282.671 1.00 6.48 H new ATOM 0 HA TYR A 35 -21.831 18.235 280.716 1.00 9.10 H new ATOM 0 HB2 TYR A 35 -23.837 16.390 281.492 1.00 9.05 H new ATOM 0 HB3 TYR A 35 -23.036 16.204 280.167 1.00 9.05 H new ATOM 0 HD1 TYR A 35 -22.382 16.503 283.649 1.00 21.41 H new ATOM 0 HD2 TYR A 35 -21.022 14.924 280.236 1.00 24.79 H new ATOM 0 HE1 TYR A 35 -20.723 15.413 284.828 1.00 22.65 H new ATOM 0 HE2 TYR A 35 -19.357 13.807 281.424 1.00 24.31 H new ATOM 0 HH TYR A 35 -18.426 13.413 283.470 1.00 36.85 H new ATOM 248 N LEU A 36 -23.338 18.539 278.700 1.00 6.96 N ATOM 249 CA LEU A 36 -24.227 18.800 277.573 1.00 8.92 C ATOM 250 C LEU A 36 -24.109 17.630 276.614 1.00 8.81 C ATOM 251 O LEU A 36 -23.002 17.162 276.350 1.00 9.38 O ATOM 252 CB LEU A 36 -23.857 20.094 276.847 1.00 7.26 C ATOM 253 CG LEU A 36 -24.335 20.207 275.392 1.00 8.43 C ATOM 254 CD1 LEU A 36 -25.860 20.293 275.299 1.00 10.42 C ATOM 255 CD2 LEU A 36 -23.705 21.416 274.703 1.00 10.86 C ATOM 0 H LEU A 36 -22.554 18.276 278.464 1.00 6.96 H new ATOM 0 HA LEU A 36 -25.135 18.901 277.900 1.00 8.92 H new ATOM 0 HB2 LEU A 36 -24.221 20.841 277.348 1.00 7.26 H new ATOM 0 HB3 LEU A 36 -22.892 20.187 276.860 1.00 7.26 H new ATOM 0 HG LEU A 36 -24.050 19.399 274.937 1.00 8.43 H new ATOM 0 HD11 LEU A 36 -26.124 20.363 274.368 1.00 10.42 H new ATOM 0 HD12 LEU A 36 -26.254 19.496 275.687 1.00 10.42 H new ATOM 0 HD13 LEU A 36 -26.170 21.075 275.782 1.00 10.42 H new ATOM 0 HD21 LEU A 36 -24.020 21.468 273.787 1.00 10.86 H new ATOM 0 HD22 LEU A 36 -23.955 22.225 275.176 1.00 10.86 H new ATOM 0 HD23 LEU A 36 -22.739 21.324 274.707 1.00 10.86 H new ATOM 256 N GLN A 37 -25.236 17.135 276.103 1.00 6.16 N ATOM 257 CA GLN A 37 -25.174 16.046 275.139 1.00 7.45 C ATOM 258 C GLN A 37 -26.075 16.353 273.955 1.00 7.11 C ATOM 259 O GLN A 37 -27.231 16.748 274.129 1.00 8.47 O ATOM 260 CB GLN A 37 -25.567 14.713 275.777 1.00 7.02 C ATOM 261 CG GLN A 37 -25.319 13.521 274.877 1.00 7.27 C ATOM 262 CD GLN A 37 -25.153 12.230 275.657 1.00 8.23 C ATOM 263 OE1 GLN A 37 -24.531 12.210 276.724 1.00 10.51 O ATOM 264 NE2 GLN A 37 -25.708 11.146 275.136 1.00 8.29 N ATOM 0 H GLN A 37 -26.027 17.410 276.297 1.00 6.16 H new ATOM 0 HA GLN A 37 -24.258 15.965 274.831 1.00 7.45 H new ATOM 0 HB2 GLN A 37 -25.069 14.597 276.601 1.00 7.02 H new ATOM 0 HB3 GLN A 37 -26.507 14.740 276.015 1.00 7.02 H new ATOM 0 HG2 GLN A 37 -26.059 13.428 274.257 1.00 7.27 H new ATOM 0 HG3 GLN A 37 -24.523 13.680 274.347 1.00 7.27 H new ATOM 0 HE21 GLN A 37 -26.134 11.197 274.391 1.00 8.29 H new ATOM 0 HE22 GLN A 37 -25.642 10.391 275.543 1.00 8.29 H new ATOM 265 N VAL A 38 -25.539 16.166 272.753 1.00 5.67 N ATOM 266 CA VAL A 38 -26.293 16.292 271.508 1.00 5.57 C ATOM 267 C VAL A 38 -26.147 14.975 270.764 1.00 6.26 C ATOM 268 O VAL A 38 -25.021 14.550 270.474 1.00 8.26 O ATOM 269 CB VAL A 38 -25.786 17.463 270.651 1.00 5.87 C ATOM 270 CG1 VAL A 38 -26.560 17.527 269.323 1.00 7.05 C ATOM 271 CG2 VAL A 38 -25.877 18.782 271.433 1.00 7.51 C ATOM 0 H VAL A 38 -24.713 15.959 272.635 1.00 5.67 H new ATOM 0 HA VAL A 38 -27.225 16.481 271.701 1.00 5.57 H new ATOM 0 HB VAL A 38 -24.851 17.318 270.438 1.00 5.87 H new ATOM 0 HG11 VAL A 38 -26.231 18.269 268.792 1.00 7.05 H new ATOM 0 HG12 VAL A 38 -26.433 16.699 268.834 1.00 7.05 H new ATOM 0 HG13 VAL A 38 -27.504 17.653 269.504 1.00 7.05 H new ATOM 0 HG21 VAL A 38 -25.554 19.510 270.879 1.00 7.51 H new ATOM 0 HG22 VAL A 38 -26.800 18.949 271.680 1.00 7.51 H new ATOM 0 HG23 VAL A 38 -25.335 18.721 272.235 1.00 7.51 H new ATOM 272 N ASP A 39 -27.278 14.330 270.455 1.00 5.25 N ATOM 273 CA ASP A 39 -27.269 13.036 269.775 1.00 5.74 C ATOM 274 C ASP A 39 -28.100 13.108 268.506 1.00 5.65 C ATOM 275 O ASP A 39 -29.265 13.515 268.543 1.00 8.06 O ATOM 276 CB ASP A 39 -27.825 11.926 270.674 1.00 6.96 C ATOM 277 CG ASP A 39 -26.974 11.680 271.906 1.00 7.92 C ATOM 278 OD1 ASP A 39 -25.738 11.564 271.767 1.00 7.15 O ATOM 279 OD2 ASP A 39 -27.547 11.599 273.011 1.00 9.78 O ATOM 0 H ASP A 39 -28.064 14.630 270.633 1.00 5.25 H new ATOM 0 HA ASP A 39 -26.347 12.826 269.558 1.00 5.74 H new ATOM 0 HB2 ASP A 39 -28.725 12.160 270.950 1.00 6.96 H new ATOM 0 HB3 ASP A 39 -27.890 11.104 270.163 1.00 6.96 H new ATOM 280 N PHE A 40 -27.506 12.692 267.391 1.00 6.21 N ATOM 281 CA PHE A 40 -28.198 12.571 266.112 1.00 5.52 C ATOM 282 C PHE A 40 -28.602 11.105 265.954 1.00 7.27 C ATOM 283 O PHE A 40 -27.742 10.248 265.727 1.00 7.68 O ATOM 284 CB PHE A 40 -27.295 13.002 264.958 1.00 6.78 C ATOM 285 CG PHE A 40 -26.943 14.475 264.928 1.00 6.38 C ATOM 286 CD1 PHE A 40 -27.454 15.380 265.845 1.00 6.59 C ATOM 287 CD2 PHE A 40 -26.082 14.943 263.934 1.00 7.91 C ATOM 288 CE1 PHE A 40 -27.111 16.735 265.771 1.00 6.64 C ATOM 289 CE2 PHE A 40 -25.731 16.274 263.860 1.00 6.77 C ATOM 290 CZ PHE A 40 -26.242 17.175 264.778 1.00 6.33 C ATOM 0 H PHE A 40 -26.676 12.469 267.356 1.00 6.21 H new ATOM 0 HA PHE A 40 -28.977 13.148 266.095 1.00 5.52 H new ATOM 0 HB2 PHE A 40 -26.473 12.489 265.001 1.00 6.78 H new ATOM 0 HB3 PHE A 40 -27.730 12.771 264.122 1.00 6.78 H new ATOM 0 HD1 PHE A 40 -28.029 15.085 266.514 1.00 6.59 H new ATOM 0 HD2 PHE A 40 -25.739 14.345 263.310 1.00 7.91 H new ATOM 0 HE1 PHE A 40 -27.463 17.339 266.384 1.00 6.64 H new ATOM 0 HE2 PHE A 40 -25.151 16.566 263.194 1.00 6.77 H new ATOM 0 HZ PHE A 40 -26.005 18.073 264.731 1.00 6.33 H new ATOM 291 N HIS A 41 -29.899 10.822 266.075 1.00 6.32 N ATOM 292 CA HIS A 41 -30.445 9.472 266.151 1.00 6.69 C ATOM 293 C HIS A 41 -30.986 8.992 264.809 1.00 7.98 C ATOM 294 O HIS A 41 -31.433 9.787 263.981 1.00 7.98 O ATOM 295 CB HIS A 41 -31.589 9.419 267.166 1.00 6.40 C ATOM 296 CG HIS A 41 -31.144 9.262 268.580 1.00 6.33 C ATOM 297 ND1 HIS A 41 -30.997 8.026 269.175 1.00 7.48 N ATOM 298 CD2 HIS A 41 -30.843 10.180 269.528 1.00 8.49 C ATOM 299 CE1 HIS A 41 -30.610 8.192 270.427 1.00 9.13 C ATOM 300 NE2 HIS A 41 -30.527 9.488 270.671 1.00 8.59 N ATOM 0 H HIS A 41 -30.503 11.433 266.116 1.00 6.32 H new ATOM 0 HA HIS A 41 -29.715 8.894 266.421 1.00 6.69 H new ATOM 0 HB2 HIS A 41 -32.113 10.232 267.091 1.00 6.40 H new ATOM 0 HB3 HIS A 41 -32.176 8.681 266.938 1.00 6.40 H new ATOM 0 HD1 HIS A 41 -31.135 7.269 268.792 1.00 7.48 H new ATOM 0 HD2 HIS A 41 -30.849 11.104 269.425 1.00 8.49 H new ATOM 0 HE1 HIS A 41 -30.427 7.512 271.034 1.00 9.13 H new ATOM 301 N THR A 42 -30.992 7.671 264.620 1.00 6.61 N ATOM 302 CA THR A 42 -31.511 7.084 263.385 1.00 7.17 C ATOM 303 C THR A 42 -33.016 6.856 263.414 1.00 9.61 C ATOM 304 O THR A 42 -33.602 6.607 262.358 1.00 10.18 O ATOM 305 CB THR A 42 -30.840 5.739 263.077 1.00 7.52 C ATOM 306 OG1 THR A 42 -31.075 4.839 264.167 1.00 10.53 O ATOM 307 CG2 THR A 42 -29.343 5.904 262.833 1.00 8.14 C ATOM 0 H THR A 42 -30.701 7.100 265.193 1.00 6.61 H new ATOM 0 HA THR A 42 -31.307 7.735 262.695 1.00 7.17 H new ATOM 0 HB THR A 42 -31.225 5.377 262.264 1.00 7.52 H new ATOM 0 HG1 THR A 42 -31.220 4.068 263.867 1.00 10.53 H new ATOM 0 HG21 THR A 42 -28.949 5.039 262.642 1.00 8.14 H new ATOM 0 HG22 THR A 42 -29.201 6.497 262.079 1.00 8.14 H new ATOM 0 HG23 THR A 42 -28.926 6.281 263.623 1.00 8.14 H new ATOM 308 N GLU A 43 -33.649 6.912 264.583 1.00 8.11 N ATOM 309 CA GLU A 43 -35.095 6.797 264.696 1.00 8.63 C ATOM 310 C GLU A 43 -35.564 7.744 265.789 1.00 9.64 C ATOM 311 O GLU A 43 -34.762 8.278 266.557 1.00 10.13 O ATOM 312 CB GLU A 43 -35.533 5.357 265.009 1.00 11.51 C ATOM 313 CG GLU A 43 -35.077 4.275 264.015 1.00 12.00 C ATOM 314 CD GLU A 43 -35.755 4.371 262.647 1.00 18.40 C ATOM 315 OE1 GLU A 43 -36.846 4.971 262.543 1.00 17.54 O ATOM 316 OE2 GLU A 43 -35.186 3.841 261.670 1.00 22.20 O ATOM 0 H GLU A 43 -33.247 7.018 265.336 1.00 8.11 H new ATOM 0 HA GLU A 43 -35.498 7.033 263.846 1.00 8.63 H new ATOM 0 HB2 GLU A 43 -35.200 5.122 265.889 1.00 11.51 H new ATOM 0 HB3 GLU A 43 -36.502 5.337 265.058 1.00 11.51 H new ATOM 0 HG2 GLU A 43 -34.117 4.340 263.896 1.00 12.00 H new ATOM 0 HG3 GLU A 43 -35.257 3.401 264.396 1.00 12.00 H new ATOM 317 N MET A 44 -36.881 7.954 265.856 1.00 9.69 N ATOM 318 CA MET A 44 -37.431 8.803 266.907 1.00 10.85 C ATOM 319 C MET A 44 -37.238 8.213 268.301 1.00 16.11 C ATOM 320 O MET A 44 -37.220 8.965 269.283 1.00 18.77 O ATOM 321 CB MET A 44 -38.909 9.067 266.630 1.00 14.34 C ATOM 322 CG MET A 44 -39.138 9.965 265.436 1.00 14.48 C ATOM 323 SD MET A 44 -38.439 11.617 265.642 1.00 16.10 S ATOM 324 CE MET A 44 -39.395 12.244 267.013 1.00 18.69 C ATOM 0 H MET A 44 -37.460 7.621 265.314 1.00 9.69 H new ATOM 0 HA MET A 44 -36.942 9.641 266.895 1.00 10.85 H new ATOM 0 HB2 MET A 44 -39.361 8.221 266.483 1.00 14.34 H new ATOM 0 HB3 MET A 44 -39.312 9.472 267.414 1.00 14.34 H new ATOM 0 HG2 MET A 44 -38.749 9.552 264.649 1.00 14.48 H new ATOM 0 HG3 MET A 44 -40.091 10.042 265.275 1.00 14.48 H new ATOM 0 HE1 MET A 44 -39.320 13.211 267.045 1.00 18.69 H new ATOM 0 HE2 MET A 44 -40.326 11.996 266.899 1.00 18.69 H new ATOM 0 HE3 MET A 44 -39.059 11.867 267.841 1.00 18.69 H new ATOM 325 N LYS A 45 -37.063 6.904 268.412 1.00 13.26 N ATOM 326 CA LYS A 45 -36.911 6.281 269.720 1.00 12.16 C ATOM 327 C LYS A 45 -35.552 6.600 270.329 1.00 12.26 C ATOM 328 O LYS A 45 -34.529 6.563 269.651 1.00 10.92 O ATOM 329 CB LYS A 45 -37.079 4.768 269.601 1.00 17.28 C ATOM 330 CG LYS A 45 -38.508 4.333 269.345 1.00 24.87 C ATOM 331 CD LYS A 45 -38.629 2.819 269.404 1.00 32.44 C ATOM 332 CE LYS A 45 -37.880 2.148 268.261 1.00 34.35 C ATOM 333 NZ LYS A 45 -38.102 2.826 266.943 1.00 39.11 N ATOM 0 H LYS A 45 -37.029 6.360 267.747 1.00 13.26 H new ATOM 0 HA LYS A 45 -37.598 6.639 270.304 1.00 12.16 H new ATOM 0 HB2 LYS A 45 -36.516 4.444 268.880 1.00 17.28 H new ATOM 0 HB3 LYS A 45 -36.763 4.350 270.417 1.00 17.28 H new ATOM 0 HG2 LYS A 45 -39.096 4.735 270.004 1.00 24.87 H new ATOM 0 HG3 LYS A 45 -38.797 4.651 268.475 1.00 24.87 H new ATOM 0 HD2 LYS A 45 -38.281 2.499 270.251 1.00 32.44 H new ATOM 0 HD3 LYS A 45 -39.565 2.568 269.369 1.00 32.44 H new ATOM 0 HE2 LYS A 45 -36.931 2.142 268.461 1.00 34.35 H new ATOM 0 HE3 LYS A 45 -38.161 1.222 268.195 1.00 34.35 H new ATOM 0 HZ1 LYS A 45 -38.160 2.214 266.300 1.00 39.11 H new ATOM 0 HZ2 LYS A 45 -38.858 3.295 266.974 1.00 39.11 H new ATOM 0 HZ3 LYS A 45 -37.421 3.373 266.772 1.00 39.11 H new ATOM 334 N GLU A 46 -35.539 6.891 271.634 1.00 13.64 N ATOM 335 CA GLU A 46 -34.286 7.265 272.286 1.00 12.16 C ATOM 336 C GLU A 46 -33.284 6.116 272.335 1.00 11.55 C ATOM 337 O GLU A 46 -32.082 6.371 272.457 1.00 10.08 O ATOM 338 CB GLU A 46 -34.551 7.785 273.709 1.00 16.26 C ATOM 339 CG GLU A 46 -35.127 6.756 274.676 1.00 17.98 C ATOM 340 CD GLU A 46 -35.107 7.222 276.134 1.00 21.79 C ATOM 341 OE1 GLU A 46 -34.049 7.685 276.602 1.00 20.17 O ATOM 342 OE2 GLU A 46 -36.150 7.130 276.811 1.00 26.27 O ATOM 0 H GLU A 46 -36.229 6.878 272.147 1.00 13.64 H new ATOM 0 HA GLU A 46 -33.894 7.971 271.748 1.00 12.16 H new ATOM 0 HB2 GLU A 46 -33.719 8.122 274.075 1.00 16.26 H new ATOM 0 HB3 GLU A 46 -35.163 8.536 273.655 1.00 16.26 H new ATOM 0 HG2 GLU A 46 -36.041 6.555 274.419 1.00 17.98 H new ATOM 0 HG3 GLU A 46 -34.623 5.931 274.599 1.00 17.98 H new ATOM 343 N GLU A 47 -33.743 4.867 272.237 1.00 10.67 N ATOM 344 CA GLU A 47 -32.831 3.729 272.245 1.00 12.59 C ATOM 345 C GLU A 47 -32.206 3.467 270.884 1.00 11.06 C ATOM 346 O GLU A 47 -31.390 2.546 270.761 1.00 10.55 O ATOM 347 CB GLU A 47 -33.563 2.470 272.726 1.00 16.47 C ATOM 0 H GLU A 47 -34.575 4.661 272.166 1.00 10.67 H new ATOM 0 HA GLU A 47 -32.111 3.951 272.856 1.00 12.59 H new ATOM 348 N SER A 48 -32.560 4.251 269.867 1.00 9.09 N ATOM 349 CA SER A 48 -32.067 3.985 268.528 1.00 9.74 C ATOM 350 C SER A 48 -30.590 4.341 268.411 1.00 8.67 C ATOM 351 O SER A 48 -30.009 5.040 269.253 1.00 7.68 O ATOM 352 CB SER A 48 -32.868 4.768 267.489 1.00 8.42 C ATOM 353 OG SER A 48 -32.653 6.162 267.625 1.00 10.35 O ATOM 0 H SER A 48 -33.079 4.933 269.934 1.00 9.09 H new ATOM 0 HA SER A 48 -32.175 3.036 268.359 1.00 9.74 H new ATOM 0 HB2 SER A 48 -32.612 4.484 266.598 1.00 8.42 H new ATOM 0 HB3 SER A 48 -33.813 4.572 267.589 1.00 8.42 H new ATOM 0 HG SER A 48 -33.160 6.467 268.221 1.00 10.35 H new ATOM 354 N ASP A 49 -29.994 3.868 267.319 1.00 6.98 N ATOM 355 CA ASP A 49 -28.597 4.149 267.009 1.00 7.68 C ATOM 356 C ASP A 49 -28.341 5.650 266.908 1.00 7.16 C ATOM 357 O ASP A 49 -29.243 6.460 266.657 1.00 6.58 O ATOM 358 CB ASP A 49 -28.196 3.466 265.704 1.00 7.77 C ATOM 359 CG ASP A 49 -28.033 1.977 265.861 1.00 10.45 C ATOM 360 OD1 ASP A 49 -28.090 1.492 267.009 1.00 9.37 O ATOM 361 OD2 ASP A 49 -27.851 1.285 264.832 1.00 11.26 O ATOM 0 H ASP A 49 -30.390 3.374 266.737 1.00 6.98 H new ATOM 0 HA ASP A 49 -28.057 3.797 267.734 1.00 7.68 H new ATOM 0 HB2 ASP A 49 -28.868 3.646 265.028 1.00 7.77 H new ATOM 0 HB3 ASP A 49 -27.364 3.848 265.385 1.00 7.77 H new ATOM 362 N ILE A 50 -27.085 6.020 267.138 1.00 5.61 N ATOM 363 CA ILE A 50 -26.665 7.418 267.170 1.00 5.76 C ATOM 364 C ILE A 50 -25.558 7.589 266.138 1.00 8.06 C ATOM 365 O ILE A 50 -24.474 7.008 266.270 1.00 8.27 O ATOM 366 CB ILE A 50 -26.203 7.841 268.571 1.00 6.62 C ATOM 367 CG1 ILE A 50 -27.389 7.782 269.541 1.00 7.03 C ATOM 368 CG2 ILE A 50 -25.605 9.248 268.532 1.00 5.37 C ATOM 369 CD1 ILE A 50 -26.983 7.845 271.005 1.00 7.41 C ATOM 0 H ILE A 50 -26.447 5.462 267.281 1.00 5.61 H new ATOM 0 HA ILE A 50 -27.414 7.995 266.954 1.00 5.76 H new ATOM 0 HB ILE A 50 -25.515 7.231 268.879 1.00 6.62 H new ATOM 0 HG12 ILE A 50 -27.991 8.518 269.348 1.00 7.03 H new ATOM 0 HG13 ILE A 50 -27.884 6.962 269.385 1.00 7.03 H new ATOM 0 HG21 ILE A 50 -25.318 9.502 269.423 1.00 5.37 H new ATOM 0 HG22 ILE A 50 -24.843 9.260 267.931 1.00 5.37 H new ATOM 0 HG23 ILE A 50 -26.274 9.876 268.217 1.00 5.37 H new ATOM 0 HD11 ILE A 50 -27.775 7.803 271.563 1.00 7.41 H new ATOM 0 HD12 ILE A 50 -26.402 7.096 271.213 1.00 7.41 H new ATOM 0 HD13 ILE A 50 -26.512 8.676 271.175 1.00 7.41 H new ATOM 370 N VAL A 51 -25.843 8.376 265.100 1.00 7.19 N ATOM 371 CA VAL A 51 -24.885 8.622 264.033 1.00 7.59 C ATOM 372 C VAL A 51 -23.776 9.552 264.510 1.00 7.66 C ATOM 373 O VAL A 51 -22.624 9.450 264.065 1.00 8.30 O ATOM 374 CB VAL A 51 -25.655 9.206 262.833 1.00 10.89 C ATOM 375 CG1 VAL A 51 -24.725 9.731 261.780 1.00 14.79 C ATOM 376 CG2 VAL A 51 -26.615 8.174 262.255 1.00 10.47 C ATOM 0 H VAL A 51 -26.596 8.779 264.998 1.00 7.19 H new ATOM 0 HA VAL A 51 -24.452 7.797 263.764 1.00 7.59 H new ATOM 0 HB VAL A 51 -26.176 9.958 263.155 1.00 10.89 H new ATOM 0 HG11 VAL A 51 -25.242 10.090 261.042 1.00 14.79 H new ATOM 0 HG12 VAL A 51 -24.171 10.432 262.158 1.00 14.79 H new ATOM 0 HG13 VAL A 51 -24.160 9.011 261.459 1.00 14.79 H new ATOM 0 HG21 VAL A 51 -27.090 8.559 261.502 1.00 10.47 H new ATOM 0 HG22 VAL A 51 -26.115 7.397 261.958 1.00 10.47 H new ATOM 0 HG23 VAL A 51 -27.252 7.907 262.936 1.00 10.47 H new ATOM 377 N PHE A 52 -24.103 10.470 265.416 1.00 7.88 N ATOM 378 CA PHE A 52 -23.153 11.439 265.948 1.00 5.92 C ATOM 379 C PHE A 52 -23.572 11.746 267.375 1.00 6.76 C ATOM 380 O PHE A 52 -24.687 12.228 267.611 1.00 6.89 O ATOM 381 CB PHE A 52 -23.120 12.719 265.099 1.00 6.90 C ATOM 382 CG PHE A 52 -22.164 13.763 265.611 1.00 7.39 C ATOM 383 CD1 PHE A 52 -20.857 13.438 265.929 1.00 8.57 C ATOM 384 CD2 PHE A 52 -22.575 15.074 265.765 1.00 9.94 C ATOM 385 CE1 PHE A 52 -19.974 14.408 266.393 1.00 9.08 C ATOM 386 CE2 PHE A 52 -21.700 16.049 266.223 1.00 10.30 C ATOM 387 CZ PHE A 52 -20.400 15.715 266.535 1.00 9.38 C ATOM 0 H PHE A 52 -24.895 10.547 265.743 1.00 7.88 H new ATOM 0 HA PHE A 52 -22.255 11.072 265.926 1.00 5.92 H new ATOM 0 HB2 PHE A 52 -22.876 12.487 264.189 1.00 6.90 H new ATOM 0 HB3 PHE A 52 -24.012 13.098 265.066 1.00 6.90 H new ATOM 0 HD1 PHE A 52 -20.565 12.560 265.831 1.00 8.57 H new ATOM 0 HD2 PHE A 52 -23.452 15.306 265.558 1.00 9.94 H new ATOM 0 HE1 PHE A 52 -19.099 14.177 266.607 1.00 9.08 H new ATOM 0 HE2 PHE A 52 -21.991 16.927 266.319 1.00 10.30 H new ATOM 0 HZ PHE A 52 -19.811 16.367 266.840 1.00 9.38 H new ATOM 388 N HIS A 53 -22.689 11.423 268.313 1.00 5.83 N ATOM 389 CA HIS A 53 -22.853 11.664 269.738 1.00 7.23 C ATOM 390 C HIS A 53 -21.810 12.700 270.122 1.00 6.64 C ATOM 391 O HIS A 53 -20.630 12.524 269.810 1.00 7.55 O ATOM 392 CB HIS A 53 -22.672 10.349 270.502 1.00 6.32 C ATOM 393 CG HIS A 53 -22.333 10.484 271.957 1.00 7.41 C ATOM 394 ND1 HIS A 53 -23.270 10.792 272.922 1.00 7.72 N ATOM 395 CD2 HIS A 53 -21.176 10.250 272.619 1.00 8.80 C ATOM 396 CE1 HIS A 53 -22.697 10.765 274.114 1.00 10.18 C ATOM 397 NE2 HIS A 53 -21.426 10.435 273.959 1.00 9.09 N ATOM 0 H HIS A 53 -21.943 11.039 268.125 1.00 5.83 H new ATOM 0 HA HIS A 53 -23.738 11.994 269.958 1.00 7.23 H new ATOM 0 HB2 HIS A 53 -23.490 9.833 270.424 1.00 6.32 H new ATOM 0 HB3 HIS A 53 -21.971 9.837 270.070 1.00 6.32 H new ATOM 0 HD1 HIS A 53 -24.097 10.973 272.772 1.00 7.72 H new ATOM 0 HD2 HIS A 53 -20.362 10.009 272.238 1.00 8.80 H new ATOM 0 HE1 HIS A 53 -23.117 10.947 274.924 1.00 10.18 H new ATOM 398 N PHE A 54 -22.254 13.800 270.725 1.00 6.80 N ATOM 399 CA PHE A 54 -21.394 14.924 271.100 1.00 6.07 C ATOM 400 C PHE A 54 -21.673 15.236 272.562 1.00 7.52 C ATOM 401 O PHE A 54 -22.762 15.707 272.897 1.00 8.01 O ATOM 402 CB PHE A 54 -21.688 16.129 270.205 1.00 5.89 C ATOM 403 CG PHE A 54 -20.909 17.367 270.543 1.00 6.60 C ATOM 404 CD1 PHE A 54 -19.584 17.501 270.138 1.00 8.39 C ATOM 405 CD2 PHE A 54 -21.513 18.425 271.216 1.00 9.11 C ATOM 406 CE1 PHE A 54 -18.869 18.651 270.416 1.00 8.49 C ATOM 407 CE2 PHE A 54 -20.799 19.586 271.494 1.00 8.21 C ATOM 408 CZ PHE A 54 -19.472 19.694 271.100 1.00 9.12 C ATOM 0 H PHE A 54 -23.080 13.918 270.932 1.00 6.80 H new ATOM 0 HA PHE A 54 -20.456 14.705 270.983 1.00 6.07 H new ATOM 0 HB2 PHE A 54 -21.502 15.886 269.285 1.00 5.89 H new ATOM 0 HB3 PHE A 54 -22.635 16.333 270.259 1.00 5.89 H new ATOM 0 HD1 PHE A 54 -19.174 16.807 269.674 1.00 8.39 H new ATOM 0 HD2 PHE A 54 -22.401 18.355 271.482 1.00 9.11 H new ATOM 0 HE1 PHE A 54 -17.983 18.725 270.144 1.00 8.49 H new ATOM 0 HE2 PHE A 54 -21.210 20.289 271.943 1.00 8.21 H new ATOM 0 HZ PHE A 54 -18.989 20.465 271.295 1.00 9.12 H new ATOM 409 N GLN A 55 -20.713 14.962 273.445 1.00 6.68 N ATOM 410 CA GLN A 55 -20.932 15.122 274.877 1.00 7.17 C ATOM 411 C GLN A 55 -19.854 16.018 275.464 1.00 8.76 C ATOM 412 O GLN A 55 -18.671 15.662 275.451 1.00 11.02 O ATOM 413 CB GLN A 55 -20.946 13.770 275.589 1.00 9.65 C ATOM 414 CG GLN A 55 -21.402 13.871 277.032 1.00 10.25 C ATOM 415 CD GLN A 55 -21.100 12.621 277.816 1.00 15.91 C ATOM 416 OE1 GLN A 55 -19.952 12.369 278.178 1.00 17.31 O ATOM 417 NE2 GLN A 55 -22.130 11.820 278.077 1.00 18.48 N ATOM 0 H GLN A 55 -19.928 14.682 273.233 1.00 6.68 H new ATOM 0 HA GLN A 55 -21.800 15.535 275.010 1.00 7.17 H new ATOM 0 HB2 GLN A 55 -21.532 13.163 275.111 1.00 9.65 H new ATOM 0 HB3 GLN A 55 -20.056 13.385 275.561 1.00 9.65 H new ATOM 0 HG2 GLN A 55 -20.967 14.628 277.454 1.00 10.25 H new ATOM 0 HG3 GLN A 55 -22.356 14.043 277.056 1.00 10.25 H new ATOM 0 HE21 GLN A 55 -22.918 12.031 277.807 1.00 18.48 H new ATOM 0 HE22 GLN A 55 -22.007 11.091 278.516 1.00 18.48 H new ATOM 418 N VAL A 56 -20.273 17.162 275.993 1.00 7.18 N ATOM 419 CA VAL A 56 -19.380 18.118 276.636 1.00 8.08 C ATOM 420 C VAL A 56 -19.455 17.899 278.137 1.00 8.65 C ATOM 421 O VAL A 56 -20.541 17.964 278.720 1.00 9.59 O ATOM 422 CB VAL A 56 -19.769 19.564 276.303 1.00 9.99 C ATOM 423 CG1 VAL A 56 -18.758 20.537 276.911 1.00 9.05 C ATOM 424 CG2 VAL A 56 -19.897 19.765 274.813 1.00 11.85 C ATOM 0 H VAL A 56 -21.097 17.408 275.988 1.00 7.18 H new ATOM 0 HA VAL A 56 -18.477 17.977 276.310 1.00 8.08 H new ATOM 0 HB VAL A 56 -20.638 19.745 276.693 1.00 9.99 H new ATOM 0 HG11 VAL A 56 -19.014 21.447 276.694 1.00 9.05 H new ATOM 0 HG12 VAL A 56 -18.742 20.427 277.875 1.00 9.05 H new ATOM 0 HG13 VAL A 56 -17.876 20.355 276.550 1.00 9.05 H new ATOM 0 HG21 VAL A 56 -20.143 20.685 274.630 1.00 11.85 H new ATOM 0 HG22 VAL A 56 -19.049 19.567 274.385 1.00 11.85 H new ATOM 0 HG23 VAL A 56 -20.581 19.173 274.464 1.00 11.85 H new ATOM 425 N CYS A 57 -18.313 17.660 278.777 1.00 9.31 N ATOM 426 CA CYS A 57 -18.209 17.839 280.224 1.00 13.20 C ATOM 427 C CYS A 57 -17.563 19.202 280.414 1.00 12.31 C ATOM 428 O CYS A 57 -16.350 19.351 280.243 1.00 10.36 O ATOM 429 CB CYS A 57 -17.411 16.731 280.894 1.00 14.36 C ATOM 430 SG CYS A 57 -17.365 16.939 282.710 1.00 22.59 S ATOM 0 H CYS A 57 -17.590 17.395 278.395 1.00 9.31 H new ATOM 0 HA CYS A 57 -19.081 17.794 280.646 1.00 13.20 H new ATOM 0 HB2 CYS A 57 -17.803 15.871 280.676 1.00 14.36 H new ATOM 0 HB3 CYS A 57 -16.506 16.726 280.545 1.00 14.36 H new ATOM 0 HG CYS A 57 -18.164 16.202 283.218 1.00 22.59 H new ATOM 431 N PHE A 58 -18.390 20.202 280.725 1.00 9.03 N ATOM 432 CA PHE A 58 -17.938 21.590 280.732 1.00 9.99 C ATOM 433 C PHE A 58 -16.752 21.764 281.666 1.00 11.88 C ATOM 434 O PHE A 58 -16.792 21.350 282.831 1.00 13.59 O ATOM 435 CB PHE A 58 -19.076 22.517 281.166 1.00 9.28 C ATOM 436 CG PHE A 58 -20.159 22.695 280.125 1.00 8.83 C ATOM 437 CD1 PHE A 58 -19.953 23.510 279.022 1.00 9.38 C ATOM 438 CD2 PHE A 58 -21.385 22.062 280.265 1.00 9.87 C ATOM 439 CE1 PHE A 58 -20.952 23.686 278.073 1.00 10.43 C ATOM 440 CE2 PHE A 58 -22.393 22.233 279.319 1.00 8.40 C ATOM 441 CZ PHE A 58 -22.177 23.045 278.223 1.00 9.87 C ATOM 0 H PHE A 58 -19.217 20.095 280.935 1.00 9.03 H new ATOM 0 HA PHE A 58 -17.663 21.823 279.831 1.00 9.99 H new ATOM 0 HB2 PHE A 58 -19.475 22.165 281.977 1.00 9.28 H new ATOM 0 HB3 PHE A 58 -18.706 23.386 281.386 1.00 9.28 H new ATOM 0 HD1 PHE A 58 -19.137 23.943 278.917 1.00 9.38 H new ATOM 0 HD2 PHE A 58 -21.536 21.515 281.002 1.00 9.87 H new ATOM 0 HE1 PHE A 58 -20.801 24.233 277.336 1.00 10.43 H new ATOM 0 HE2 PHE A 58 -23.210 21.801 279.425 1.00 8.40 H new ATOM 0 HZ PHE A 58 -22.847 23.162 277.589 1.00 9.87 H new ATOM 442 N GLY A 59 -15.703 22.400 281.148 1.00 9.12 N ATOM 443 CA GLY A 59 -14.483 22.625 281.891 1.00 14.80 C ATOM 444 C GLY A 59 -13.504 21.471 281.906 1.00 17.51 C ATOM 445 O GLY A 59 -12.403 21.630 282.450 1.00 18.65 O ATOM 0 H GLY A 59 -15.687 22.713 280.347 1.00 9.12 H new ATOM 0 HA2 GLY A 59 -14.036 23.402 281.520 1.00 14.80 H new ATOM 0 HA3 GLY A 59 -14.717 22.842 282.807 1.00 14.80 H new ATOM 446 N ARG A 60 -13.853 20.315 281.328 1.00 14.68 N ATOM 447 CA ARG A 60 -12.979 19.143 281.359 1.00 13.78 C ATOM 448 C ARG A 60 -12.668 18.588 279.974 1.00 13.34 C ATOM 449 O ARG A 60 -11.498 18.583 279.572 1.00 15.00 O ATOM 450 CB ARG A 60 -13.565 18.028 282.240 1.00 15.83 C ATOM 0 H ARG A 60 -14.596 20.192 280.912 1.00 14.68 H new ATOM 0 HA ARG A 60 -12.144 19.453 281.743 1.00 13.78 H new ATOM 451 N ARG A 61 -13.661 18.103 279.235 1.00 12.64 N ATOM 452 CA ARG A 61 -13.366 17.391 278.000 1.00 10.63 C ATOM 453 C ARG A 61 -14.630 17.276 277.162 1.00 11.51 C ATOM 454 O ARG A 61 -15.745 17.518 277.633 1.00 10.69 O ATOM 455 CB ARG A 61 -12.813 15.991 278.283 1.00 13.17 C ATOM 456 CG ARG A 61 -13.858 15.061 278.864 1.00 14.85 C ATOM 457 CD ARG A 61 -13.360 13.634 279.021 1.00 20.42 C ATOM 458 NE ARG A 61 -14.445 12.741 279.418 1.00 27.10 N ATOM 459 CZ ARG A 61 -14.423 11.418 279.282 1.00 24.41 C ATOM 460 NH1 ARG A 61 -13.366 10.816 278.755 1.00 22.68 N ATOM 461 NH2 ARG A 61 -15.469 10.698 279.665 1.00 29.52 N ATOM 0 H ARG A 61 -14.496 18.174 279.427 1.00 12.64 H new ATOM 0 HA ARG A 61 -12.691 17.893 277.516 1.00 10.63 H new ATOM 0 HB2 ARG A 61 -12.467 15.611 277.460 1.00 13.17 H new ATOM 0 HB3 ARG A 61 -12.067 16.060 278.899 1.00 13.17 H new ATOM 0 HG2 ARG A 61 -14.138 15.398 279.729 1.00 14.85 H new ATOM 0 HG3 ARG A 61 -14.641 15.064 278.291 1.00 14.85 H new ATOM 0 HD2 ARG A 61 -12.975 13.329 278.185 1.00 20.42 H new ATOM 0 HD3 ARG A 61 -12.654 13.606 279.685 1.00 20.42 H new ATOM 0 HE ARG A 61 -15.148 13.095 279.764 1.00 27.10 H new ATOM 0 HH11 ARG A 61 -12.690 11.281 278.499 1.00 22.68 H new ATOM 0 HH12 ARG A 61 -13.357 9.960 278.669 1.00 22.68 H new ATOM 0 HH21 ARG A 61 -16.159 11.087 280.000 1.00 29.52 H new ATOM 0 HH22 ARG A 61 -15.457 9.842 279.578 1.00 29.52 H new ATOM 462 N VAL A 62 -14.437 16.869 275.908 1.00 9.61 N ATOM 463 CA VAL A 62 -15.526 16.536 275.001 1.00 9.31 C ATOM 464 C VAL A 62 -15.277 15.139 274.458 1.00 10.82 C ATOM 465 O VAL A 62 -14.141 14.790 274.119 1.00 10.94 O ATOM 466 CB VAL A 62 -15.630 17.556 273.853 1.00 8.88 C ATOM 467 CG1 VAL A 62 -16.611 17.074 272.785 1.00 12.73 C ATOM 468 CG2 VAL A 62 -16.041 18.929 274.411 1.00 11.91 C ATOM 0 H VAL A 62 -13.657 16.778 275.558 1.00 9.61 H new ATOM 0 HA VAL A 62 -16.369 16.564 275.480 1.00 9.31 H new ATOM 0 HB VAL A 62 -14.761 17.644 273.430 1.00 8.88 H new ATOM 0 HG11 VAL A 62 -16.662 17.730 272.072 1.00 12.73 H new ATOM 0 HG12 VAL A 62 -16.306 16.227 272.424 1.00 12.73 H new ATOM 0 HG13 VAL A 62 -17.489 16.959 273.180 1.00 12.73 H new ATOM 0 HG21 VAL A 62 -16.105 19.568 273.684 1.00 11.91 H new ATOM 0 HG22 VAL A 62 -16.902 18.855 274.852 1.00 11.91 H new ATOM 0 HG23 VAL A 62 -15.376 19.232 275.049 1.00 11.91 H new ATOM 469 N VAL A 63 -16.327 14.327 274.401 1.00 8.43 N ATOM 470 CA VAL A 63 -16.234 13.008 273.791 1.00 9.32 C ATOM 471 C VAL A 63 -17.213 12.943 272.630 1.00 9.06 C ATOM 472 O VAL A 63 -18.331 13.471 272.696 1.00 9.36 O ATOM 473 CB VAL A 63 -16.490 11.856 274.787 1.00 13.19 C ATOM 474 CG1 VAL A 63 -15.436 11.853 275.885 1.00 14.77 C ATOM 475 CG2 VAL A 63 -17.883 11.925 275.377 1.00 10.91 C ATOM 0 H VAL A 63 -17.105 14.523 274.711 1.00 8.43 H new ATOM 0 HA VAL A 63 -15.324 12.886 273.478 1.00 9.32 H new ATOM 0 HB VAL A 63 -16.425 11.023 274.295 1.00 13.19 H new ATOM 0 HG11 VAL A 63 -15.612 11.124 276.501 1.00 14.77 H new ATOM 0 HG12 VAL A 63 -14.558 11.737 275.490 1.00 14.77 H new ATOM 0 HG13 VAL A 63 -15.466 12.695 276.365 1.00 14.77 H new ATOM 0 HG21 VAL A 63 -18.009 11.189 275.996 1.00 10.91 H new ATOM 0 HG22 VAL A 63 -17.994 12.766 275.848 1.00 10.91 H new ATOM 0 HG23 VAL A 63 -18.539 11.865 274.665 1.00 10.91 H new ATOM 476 N MET A 64 -16.766 12.323 271.541 1.00 8.94 N ATOM 477 CA MET A 64 -17.600 12.105 270.372 1.00 8.06 C ATOM 478 C MET A 64 -17.529 10.634 269.994 1.00 8.69 C ATOM 479 O MET A 64 -16.492 9.992 270.159 1.00 11.15 O ATOM 480 CB MET A 64 -17.166 12.981 269.193 1.00 8.27 C ATOM 481 CG MET A 64 -17.509 14.452 269.404 1.00 7.39 C ATOM 482 SD MET A 64 -16.628 15.522 268.273 1.00 12.18 S ATOM 483 CE MET A 64 -14.983 15.465 268.979 1.00 16.53 C ATOM 0 H MET A 64 -15.966 12.017 271.463 1.00 8.94 H new ATOM 0 HA MET A 64 -18.513 12.353 270.588 1.00 8.06 H new ATOM 0 HB2 MET A 64 -16.209 12.890 269.061 1.00 8.27 H new ATOM 0 HB3 MET A 64 -17.595 12.664 268.383 1.00 8.27 H new ATOM 0 HG2 MET A 64 -18.464 14.579 269.289 1.00 7.39 H new ATOM 0 HG3 MET A 64 -17.297 14.704 270.316 1.00 7.39 H new ATOM 0 HE1 MET A 64 -14.709 16.360 269.234 1.00 16.53 H new ATOM 0 HE2 MET A 64 -14.986 14.893 269.762 1.00 16.53 H new ATOM 0 HE3 MET A 64 -14.361 15.112 268.324 1.00 16.53 H new ATOM 484 N ASN A 65 -18.642 10.099 269.501 1.00 7.40 N ATOM 485 CA ASN A 65 -18.706 8.681 269.158 1.00 7.71 C ATOM 486 C ASN A 65 -19.939 8.442 268.302 1.00 8.42 C ATOM 487 O ASN A 65 -20.689 9.366 267.987 1.00 8.01 O ATOM 488 CB ASN A 65 -18.747 7.809 270.419 1.00 7.76 C ATOM 489 CG ASN A 65 -18.115 6.443 270.222 1.00 7.32 C ATOM 490 OD1 ASN A 65 -17.987 5.947 269.104 1.00 8.10 O ATOM 491 ND2 ASN A 65 -17.728 5.817 271.337 1.00 9.79 N ATOM 0 H ASN A 65 -19.368 10.537 269.358 1.00 7.40 H new ATOM 0 HA ASN A 65 -17.909 8.435 268.662 1.00 7.71 H new ATOM 0 HB2 ASN A 65 -18.289 8.270 271.139 1.00 7.76 H new ATOM 0 HB3 ASN A 65 -19.669 7.695 270.697 1.00 7.76 H new ATOM 0 HD21 ASN A 65 -17.373 5.035 271.290 1.00 9.79 H new ATOM 0 HD22 ASN A 65 -17.834 6.196 272.102 1.00 9.79 H new ATOM 492 N SER A 66 -20.147 7.178 267.946 1.00 7.27 N ATOM 493 CA SER A 66 -21.376 6.710 267.333 1.00 7.63 C ATOM 494 C SER A 66 -21.817 5.461 268.076 1.00 8.46 C ATOM 495 O SER A 66 -20.991 4.752 268.657 1.00 10.48 O ATOM 496 CB SER A 66 -21.179 6.401 265.837 1.00 7.83 C ATOM 497 OG SER A 66 -20.116 5.459 265.647 1.00 8.69 O ATOM 0 H SER A 66 -19.562 6.558 268.058 1.00 7.27 H new ATOM 0 HA SER A 66 -22.053 7.402 267.392 1.00 7.63 H new ATOM 0 HB2 SER A 66 -22.001 6.046 265.465 1.00 7.83 H new ATOM 0 HB3 SER A 66 -20.981 7.220 265.357 1.00 7.83 H new ATOM 0 HG SER A 66 -20.315 4.933 265.023 1.00 8.69 H new ATOM 498 N ARG A 67 -23.122 5.197 268.063 1.00 7.23 N ATOM 499 CA ARG A 67 -23.666 3.960 268.614 1.00 6.76 C ATOM 500 C ARG A 67 -24.332 3.223 267.465 1.00 8.83 C ATOM 501 O ARG A 67 -25.307 3.717 266.893 1.00 7.31 O ATOM 502 CB ARG A 67 -24.642 4.226 269.759 1.00 7.57 C ATOM 503 CG ARG A 67 -25.117 2.941 270.426 1.00 8.52 C ATOM 504 CD ARG A 67 -25.905 3.204 271.707 1.00 10.02 C ATOM 505 NE ARG A 67 -27.222 3.777 271.440 1.00 9.11 N ATOM 506 CZ ARG A 67 -27.894 4.520 272.308 1.00 7.51 C ATOM 507 NH1 ARG A 67 -27.367 4.786 273.505 1.00 9.78 N ATOM 508 NH2 ARG A 67 -29.086 5.009 271.985 1.00 7.56 N ATOM 0 H ARG A 67 -23.714 5.728 267.736 1.00 7.23 H new ATOM 0 HA ARG A 67 -22.958 3.421 269.000 1.00 6.76 H new ATOM 0 HB2 ARG A 67 -24.214 4.792 270.421 1.00 7.57 H new ATOM 0 HB3 ARG A 67 -25.409 4.715 269.421 1.00 7.57 H new ATOM 0 HG2 ARG A 67 -25.672 2.444 269.805 1.00 8.52 H new ATOM 0 HG3 ARG A 67 -24.350 2.383 270.630 1.00 8.52 H new ATOM 0 HD2 ARG A 67 -26.009 2.373 272.196 1.00 10.02 H new ATOM 0 HD3 ARG A 67 -25.401 3.807 272.276 1.00 10.02 H new ATOM 0 HE ARG A 67 -27.583 3.623 270.675 1.00 9.11 H new ATOM 0 HH11 ARG A 67 -26.592 4.475 273.712 1.00 9.78 H new ATOM 0 HH12 ARG A 67 -27.802 5.268 274.069 1.00 9.78 H new ATOM 0 HH21 ARG A 67 -29.423 4.844 271.211 1.00 7.56 H new ATOM 0 HH22 ARG A 67 -29.520 5.491 272.550 1.00 7.56 H new ATOM 509 N GLU A 68 -23.785 2.061 267.108 1.00 8.83 N ATOM 510 CA GLU A 68 -24.175 1.353 265.898 1.00 9.26 C ATOM 511 C GLU A 68 -24.640 -0.048 266.269 1.00 11.34 C ATOM 512 O GLU A 68 -23.922 -0.786 266.958 1.00 10.08 O ATOM 513 CB GLU A 68 -23.015 1.317 264.897 1.00 11.09 C ATOM 514 CG GLU A 68 -22.398 2.696 264.667 1.00 10.98 C ATOM 515 CD GLU A 68 -21.276 2.716 263.644 1.00 15.91 C ATOM 516 OE1 GLU A 68 -21.200 1.779 262.809 1.00 19.14 O ATOM 517 OE2 GLU A 68 -20.471 3.684 263.677 1.00 12.96 O ATOM 0 H GLU A 68 -23.175 1.663 267.565 1.00 8.83 H new ATOM 0 HA GLU A 68 -24.909 1.819 265.468 1.00 9.26 H new ATOM 0 HB2 GLU A 68 -22.331 0.710 265.221 1.00 11.09 H new ATOM 0 HB3 GLU A 68 -23.332 0.963 264.052 1.00 11.09 H new ATOM 0 HG2 GLU A 68 -23.095 3.307 264.379 1.00 10.98 H new ATOM 0 HG3 GLU A 68 -22.058 3.031 265.511 1.00 10.98 H new ATOM 518 N TYR A 69 -25.845 -0.394 265.824 1.00 10.39 N ATOM 519 CA TYR A 69 -26.528 -1.623 266.228 1.00 10.80 C ATOM 520 C TYR A 69 -26.377 -1.858 267.726 1.00 12.87 C ATOM 521 O TYR A 69 -26.036 -2.945 268.198 1.00 12.37 O ATOM 522 CB TYR A 69 -26.056 -2.807 265.385 1.00 10.81 C ATOM 523 CG TYR A 69 -26.710 -2.722 264.027 1.00 14.83 C ATOM 524 CD1 TYR A 69 -27.999 -3.210 263.836 1.00 18.12 C ATOM 525 CD2 TYR A 69 -26.092 -2.075 262.976 1.00 20.05 C ATOM 526 CE1 TYR A 69 -28.630 -3.105 262.615 1.00 16.67 C ATOM 527 CE2 TYR A 69 -26.714 -1.965 261.742 1.00 15.14 C ATOM 528 CZ TYR A 69 -27.982 -2.477 261.573 1.00 18.62 C ATOM 529 OH TYR A 69 -28.621 -2.369 260.369 1.00 22.33 O ATOM 0 H TYR A 69 -26.296 0.085 265.271 1.00 10.39 H new ATOM 0 HA TYR A 69 -27.478 -1.526 266.059 1.00 10.80 H new ATOM 0 HB2 TYR A 69 -25.090 -2.793 265.295 1.00 10.81 H new ATOM 0 HB3 TYR A 69 -26.288 -3.643 265.819 1.00 10.81 H new ATOM 0 HD1 TYR A 69 -28.443 -3.615 264.546 1.00 18.12 H new ATOM 0 HD2 TYR A 69 -25.246 -1.708 263.097 1.00 20.05 H new ATOM 0 HE1 TYR A 69 -29.484 -3.454 262.496 1.00 16.67 H new ATOM 0 HE2 TYR A 69 -26.279 -1.549 261.033 1.00 15.14 H new ATOM 0 HH TYR A 69 -28.124 -1.969 259.823 1.00 22.33 H new ATOM 530 N GLY A 70 -26.633 -0.787 268.478 1.00 9.71 N ATOM 531 CA GLY A 70 -26.704 -0.838 269.920 1.00 10.14 C ATOM 532 C GLY A 70 -25.391 -0.697 270.654 1.00 10.65 C ATOM 533 O GLY A 70 -25.406 -0.615 271.887 1.00 12.98 O ATOM 0 H GLY A 70 -26.771 -0.003 268.152 1.00 9.71 H new ATOM 0 HA2 GLY A 70 -27.300 -0.135 270.222 1.00 10.14 H new ATOM 0 HA3 GLY A 70 -27.108 -1.682 270.176 1.00 10.14 H new ATOM 534 N ALA A 71 -24.264 -0.648 269.951 1.00 9.86 N ATOM 535 CA ALA A 71 -22.958 -0.689 270.593 1.00 10.86 C ATOM 536 C ALA A 71 -22.143 0.556 270.276 1.00 11.39 C ATOM 537 O ALA A 71 -22.065 0.987 269.123 1.00 11.38 O ATOM 538 CB ALA A 71 -22.175 -1.927 270.158 1.00 15.98 C ATOM 0 H ALA A 71 -24.236 -0.590 269.093 1.00 9.86 H new ATOM 0 HA ALA A 71 -23.113 -0.726 271.550 1.00 10.86 H new ATOM 0 HB1 ALA A 71 -21.310 -1.934 270.597 1.00 15.98 H new ATOM 0 HB2 ALA A 71 -22.668 -2.725 270.404 1.00 15.98 H new ATOM 0 HB3 ALA A 71 -22.049 -1.909 269.196 1.00 15.98 H new ATOM 539 N TRP A 72 -21.506 1.111 271.303 1.00 9.55 N ATOM 540 CA TRP A 72 -20.624 2.251 271.094 1.00 10.50 C ATOM 541 C TRP A 72 -19.367 1.838 270.332 1.00 12.04 C ATOM 542 O TRP A 72 -18.802 0.765 270.563 1.00 13.04 O ATOM 543 CB TRP A 72 -20.257 2.877 272.434 1.00 10.27 C ATOM 544 CG TRP A 72 -21.406 3.591 273.053 1.00 9.79 C ATOM 545 CD1 TRP A 72 -22.140 3.184 274.116 1.00 12.78 C ATOM 546 CD2 TRP A 72 -21.969 4.842 272.626 1.00 12.16 C ATOM 547 NE1 TRP A 72 -23.121 4.109 274.397 1.00 14.73 N ATOM 548 CE2 TRP A 72 -23.037 5.133 273.491 1.00 14.57 C ATOM 549 CE3 TRP A 72 -21.665 5.744 271.597 1.00 11.53 C ATOM 550 CZ2 TRP A 72 -23.806 6.292 273.365 1.00 15.10 C ATOM 551 CZ3 TRP A 72 -22.429 6.890 271.471 1.00 13.53 C ATOM 552 CH2 TRP A 72 -23.484 7.154 272.352 1.00 11.06 C ATOM 0 H TRP A 72 -21.570 0.846 272.119 1.00 9.55 H new ATOM 0 HA TRP A 72 -21.094 2.909 270.558 1.00 10.50 H new ATOM 0 HB2 TRP A 72 -19.945 2.185 273.038 1.00 10.27 H new ATOM 0 HB3 TRP A 72 -19.522 3.497 272.309 1.00 10.27 H new ATOM 0 HD1 TRP A 72 -22.002 2.395 274.588 1.00 12.78 H new ATOM 0 HE1 TRP A 72 -23.693 4.053 275.037 1.00 14.73 H new ATOM 0 HE3 TRP A 72 -20.963 5.575 271.010 1.00 11.53 H new ATOM 0 HZ2 TRP A 72 -24.509 6.471 273.947 1.00 15.10 H new ATOM 0 HZ3 TRP A 72 -22.239 7.495 270.790 1.00 13.53 H new ATOM 0 HH2 TRP A 72 -23.978 7.935 272.246 1.00 11.06 H new ATOM 553 N LYS A 73 -18.930 2.702 269.416 1.00 11.10 N ATOM 554 CA LYS A 73 -17.721 2.445 268.641 1.00 11.42 C ATOM 555 C LYS A 73 -16.530 3.210 269.218 1.00 10.46 C ATOM 556 O LYS A 73 -16.450 3.393 270.437 1.00 11.16 O ATOM 557 CB LYS A 73 -17.961 2.796 267.172 1.00 12.46 C ATOM 558 CG LYS A 73 -19.173 2.082 266.603 1.00 14.25 C ATOM 559 CD LYS A 73 -18.979 0.577 266.579 1.00 26.45 C ATOM 560 CE LYS A 73 -18.752 0.082 265.158 1.00 30.82 C ATOM 561 NZ LYS A 73 -18.700 -1.401 265.097 1.00 38.88 N ATOM 0 H LYS A 73 -19.322 3.444 269.229 1.00 11.10 H new ATOM 0 HA LYS A 73 -17.506 1.501 268.695 1.00 11.42 H new ATOM 0 HB2 LYS A 73 -18.082 3.755 267.086 1.00 12.46 H new ATOM 0 HB3 LYS A 73 -17.176 2.561 266.653 1.00 12.46 H new ATOM 0 HG2 LYS A 73 -19.955 2.299 267.134 1.00 14.25 H new ATOM 0 HG3 LYS A 73 -19.344 2.401 265.703 1.00 14.25 H new ATOM 0 HD2 LYS A 73 -18.221 0.336 267.135 1.00 26.45 H new ATOM 0 HD3 LYS A 73 -19.758 0.140 266.957 1.00 26.45 H new ATOM 0 HE2 LYS A 73 -19.464 0.405 264.584 1.00 30.82 H new ATOM 0 HE3 LYS A 73 -17.923 0.450 264.815 1.00 30.82 H new ATOM 0 HZ1 LYS A 73 -18.228 -1.653 264.386 1.00 38.88 H new ATOM 0 HZ2 LYS A 73 -18.315 -1.715 265.835 1.00 38.88 H new ATOM 0 HZ3 LYS A 73 -19.527 -1.725 265.033 1.00 38.88 H new ATOM 562 N GLN A 74 -15.607 3.657 268.362 1.00 11.84 N ATOM 563 CA GLN A 74 -14.360 4.263 268.820 1.00 17.27 C ATOM 564 C GLN A 74 -14.602 5.685 269.313 1.00 11.80 C ATOM 565 O GLN A 74 -14.992 6.564 268.541 1.00 14.93 O ATOM 566 CB GLN A 74 -13.322 4.271 267.701 1.00 18.78 C ATOM 567 CG GLN A 74 -12.001 4.901 268.109 1.00 21.97 C ATOM 568 CD GLN A 74 -11.387 4.209 269.309 1.00 28.14 C ATOM 569 OE1 GLN A 74 -11.286 4.787 270.394 1.00 32.78 O ATOM 570 NE2 GLN A 74 -10.982 2.957 269.124 1.00 27.71 N ATOM 0 H GLN A 74 -15.688 3.617 267.507 1.00 11.84 H new ATOM 0 HA GLN A 74 -14.021 3.730 269.557 1.00 17.27 H new ATOM 0 HB2 GLN A 74 -13.162 3.359 267.411 1.00 18.78 H new ATOM 0 HB3 GLN A 74 -13.681 4.753 266.939 1.00 18.78 H new ATOM 0 HG2 GLN A 74 -11.382 4.863 267.363 1.00 21.97 H new ATOM 0 HG3 GLN A 74 -12.141 5.839 268.314 1.00 21.97 H new ATOM 0 HE21 GLN A 74 -11.069 2.587 268.353 1.00 27.71 H new ATOM 0 HE22 GLN A 74 -10.633 2.517 269.776 1.00 27.71 H new ATOM 571 N GLN A 75 -14.343 5.912 270.594 1.00 10.53 N ATOM 572 CA GLN A 75 -14.449 7.245 271.163 1.00 11.53 C ATOM 573 C GLN A 75 -13.356 8.163 270.631 1.00 12.15 C ATOM 574 O GLN A 75 -12.197 7.763 270.489 1.00 14.46 O ATOM 575 CB GLN A 75 -14.354 7.138 272.685 1.00 16.20 C ATOM 576 CG GLN A 75 -14.238 8.427 273.429 1.00 19.23 C ATOM 577 CD GLN A 75 -14.472 8.233 274.913 1.00 17.31 C ATOM 578 OE1 GLN A 75 -15.607 8.060 275.355 1.00 18.73 O ATOM 579 NE2 GLN A 75 -13.395 8.256 275.691 1.00 19.76 N ATOM 0 H GLN A 75 -14.103 5.303 271.152 1.00 10.53 H new ATOM 0 HA GLN A 75 -15.302 7.630 270.908 1.00 11.53 H new ATOM 0 HB2 GLN A 75 -15.140 6.669 273.008 1.00 16.20 H new ATOM 0 HB3 GLN A 75 -13.585 6.589 272.905 1.00 16.20 H new ATOM 0 HG2 GLN A 75 -13.357 8.807 273.286 1.00 19.23 H new ATOM 0 HG3 GLN A 75 -14.881 9.063 273.079 1.00 19.23 H new ATOM 0 HE21 GLN A 75 -12.617 8.380 275.345 1.00 19.76 H new ATOM 0 HE22 GLN A 75 -13.476 8.147 276.540 1.00 19.76 H new ATOM 580 N VAL A 76 -13.734 9.404 270.338 1.00 9.40 N ATOM 581 CA VAL A 76 -12.801 10.493 270.062 1.00 10.15 C ATOM 582 C VAL A 76 -12.906 11.457 271.235 1.00 12.91 C ATOM 583 O VAL A 76 -13.988 11.987 271.514 1.00 14.22 O ATOM 584 CB VAL A 76 -13.122 11.192 268.731 1.00 11.21 C ATOM 585 CG1 VAL A 76 -12.185 12.382 268.510 1.00 15.90 C ATOM 586 CG2 VAL A 76 -13.028 10.204 267.567 1.00 14.97 C ATOM 0 H VAL A 76 -14.559 9.642 270.293 1.00 9.40 H new ATOM 0 HA VAL A 76 -11.896 10.155 269.969 1.00 10.15 H new ATOM 0 HB VAL A 76 -14.032 11.525 268.772 1.00 11.21 H new ATOM 0 HG11 VAL A 76 -12.400 12.811 267.667 1.00 15.90 H new ATOM 0 HG12 VAL A 76 -12.294 13.018 269.234 1.00 15.90 H new ATOM 0 HG13 VAL A 76 -11.266 12.071 268.489 1.00 15.90 H new ATOM 0 HG21 VAL A 76 -13.233 10.661 266.737 1.00 14.97 H new ATOM 0 HG22 VAL A 76 -12.130 9.841 267.522 1.00 14.97 H new ATOM 0 HG23 VAL A 76 -13.661 9.482 267.703 1.00 14.97 H new ATOM 587 N GLU A 77 -11.799 11.664 271.943 1.00 12.36 N ATOM 588 CA GLU A 77 -11.776 12.508 273.131 1.00 10.79 C ATOM 589 C GLU A 77 -10.962 13.765 272.860 1.00 14.36 C ATOM 590 O GLU A 77 -9.829 13.682 272.384 1.00 14.70 O ATOM 591 CB GLU A 77 -11.178 11.753 274.315 1.00 16.66 C ATOM 592 CG GLU A 77 -11.144 12.554 275.591 1.00 21.90 C ATOM 593 CD GLU A 77 -10.627 11.745 276.761 1.00 30.89 C ATOM 594 OE1 GLU A 77 -10.048 10.659 276.530 1.00 39.01 O ATOM 595 OE2 GLU A 77 -10.818 12.186 277.911 1.00 32.90 O ATOM 0 H GLU A 77 -11.037 11.317 271.746 1.00 12.36 H new ATOM 0 HA GLU A 77 -12.688 12.756 273.349 1.00 10.79 H new ATOM 0 HB2 GLU A 77 -11.691 10.944 274.464 1.00 16.66 H new ATOM 0 HB3 GLU A 77 -10.275 11.479 274.091 1.00 16.66 H new ATOM 0 HG2 GLU A 77 -10.582 13.334 275.466 1.00 21.90 H new ATOM 0 HG3 GLU A 77 -12.036 12.877 275.792 1.00 21.90 H new ATOM 596 N SER A 78 -11.525 14.922 273.192 1.00 10.66 N ATOM 597 CA SER A 78 -10.846 16.198 273.024 1.00 11.05 C ATOM 598 C SER A 78 -10.793 16.942 274.351 1.00 12.49 C ATOM 599 O SER A 78 -11.750 16.912 275.130 1.00 12.59 O ATOM 600 CB SER A 78 -11.558 17.066 271.985 1.00 11.54 C ATOM 601 OG SER A 78 -11.068 18.400 271.997 1.00 11.78 O ATOM 0 H SER A 78 -12.316 14.987 273.523 1.00 10.66 H new ATOM 0 HA SER A 78 -9.944 16.018 272.715 1.00 11.05 H new ATOM 0 HB2 SER A 78 -11.435 16.683 271.102 1.00 11.54 H new ATOM 0 HB3 SER A 78 -12.512 17.069 272.163 1.00 11.54 H new ATOM 0 HG SER A 78 -11.632 18.909 271.638 1.00 11.78 H new ATOM 602 N LYS A 79 -9.679 17.622 274.603 1.00 11.83 N ATOM 603 CA LYS A 79 -9.583 18.524 275.742 1.00 12.42 C ATOM 604 C LYS A 79 -9.826 19.979 275.356 1.00 12.34 C ATOM 605 O LYS A 79 -9.741 20.859 276.221 1.00 13.69 O ATOM 606 CB LYS A 79 -8.210 18.385 276.416 1.00 13.65 C ATOM 607 CG LYS A 79 -7.897 16.971 276.910 1.00 20.48 C ATOM 608 CD LYS A 79 -8.894 16.513 277.963 1.00 24.91 C ATOM 609 CE LYS A 79 -8.607 15.088 278.408 1.00 29.99 C ATOM 610 NZ LYS A 79 -7.269 14.993 279.056 1.00 37.39 N ATOM 0 H LYS A 79 -8.966 17.574 274.124 1.00 11.83 H new ATOM 0 HA LYS A 79 -10.281 18.269 276.365 1.00 12.42 H new ATOM 0 HB2 LYS A 79 -7.523 18.657 275.788 1.00 13.65 H new ATOM 0 HB3 LYS A 79 -8.166 18.997 277.167 1.00 13.65 H new ATOM 0 HG2 LYS A 79 -7.911 16.355 276.161 1.00 20.48 H new ATOM 0 HG3 LYS A 79 -7.001 16.948 277.280 1.00 20.48 H new ATOM 0 HD2 LYS A 79 -8.856 17.108 278.728 1.00 24.91 H new ATOM 0 HD3 LYS A 79 -9.794 16.568 277.606 1.00 24.91 H new ATOM 0 HE2 LYS A 79 -9.293 14.795 279.028 1.00 29.99 H new ATOM 0 HE3 LYS A 79 -8.643 14.493 277.643 1.00 29.99 H new ATOM 0 HZ1 LYS A 79 -7.212 14.229 279.509 1.00 37.39 H new ATOM 0 HZ2 LYS A 79 -6.635 15.015 278.432 1.00 37.39 H new ATOM 0 HZ3 LYS A 79 -7.160 15.678 279.614 1.00 37.39 H new ATOM 611 N ASN A 80 -10.129 20.253 274.085 1.00 10.75 N ATOM 612 CA ASN A 80 -10.476 21.608 273.677 1.00 9.99 C ATOM 613 C ASN A 80 -11.734 22.070 274.404 1.00 10.42 C ATOM 614 O ASN A 80 -12.743 21.363 274.428 1.00 11.37 O ATOM 615 CB ASN A 80 -10.697 21.669 272.169 1.00 10.58 C ATOM 616 CG ASN A 80 -10.761 23.094 271.650 1.00 9.84 C ATOM 617 OD1 ASN A 80 -10.190 24.015 272.244 1.00 12.84 O ATOM 618 ND2 ASN A 80 -11.444 23.284 270.528 1.00 9.96 N ATOM 0 H ASN A 80 -10.138 19.671 273.451 1.00 10.75 H new ATOM 0 HA ASN A 80 -9.741 22.197 273.910 1.00 9.99 H new ATOM 0 HB2 ASN A 80 -9.979 21.196 271.720 1.00 10.58 H new ATOM 0 HB3 ASN A 80 -11.522 21.209 271.947 1.00 10.58 H new ATOM 0 HD21 ASN A 80 -11.501 24.072 270.188 1.00 9.96 H new ATOM 0 HD22 ASN A 80 -11.829 22.619 270.141 1.00 9.96 H new ATOM 619 N MET A 81 -11.676 23.262 274.998 1.00 10.69 N ATOM 620 CA MET A 81 -12.760 23.762 275.848 1.00 11.39 C ATOM 621 C MET A 81 -12.996 25.241 275.578 1.00 11.16 C ATOM 622 O MET A 81 -12.633 26.108 276.381 1.00 14.41 O ATOM 623 CB MET A 81 -12.439 23.502 277.322 1.00 10.85 C ATOM 624 CG MET A 81 -13.608 23.732 278.290 1.00 13.67 C ATOM 625 SD MET A 81 -15.158 22.913 277.837 1.00 12.97 S ATOM 626 CE MET A 81 -14.612 21.216 277.699 1.00 12.52 C ATOM 0 H MET A 81 -11.011 23.802 274.921 1.00 10.69 H new ATOM 0 HA MET A 81 -13.579 23.287 275.636 1.00 11.39 H new ATOM 0 HB2 MET A 81 -12.134 22.586 277.416 1.00 10.85 H new ATOM 0 HB3 MET A 81 -11.702 24.075 277.585 1.00 10.85 H new ATOM 0 HG2 MET A 81 -13.344 23.427 279.172 1.00 13.67 H new ATOM 0 HG3 MET A 81 -13.771 24.686 278.357 1.00 13.67 H new ATOM 0 HE1 MET A 81 -15.383 20.634 277.612 1.00 12.52 H new ATOM 0 HE2 MET A 81 -14.045 21.121 276.918 1.00 12.52 H new ATOM 0 HE3 MET A 81 -14.111 20.971 278.493 1.00 12.52 H new ATOM 627 N PRO A 82 -13.633 25.569 274.452 1.00 10.38 N ATOM 628 CA PRO A 82 -13.964 26.979 274.181 1.00 11.54 C ATOM 629 C PRO A 82 -15.112 27.515 275.021 1.00 11.05 C ATOM 630 O PRO A 82 -15.268 28.738 275.119 1.00 13.80 O ATOM 631 CB PRO A 82 -14.331 26.970 272.692 1.00 14.39 C ATOM 632 CG PRO A 82 -14.836 25.570 272.447 1.00 12.11 C ATOM 633 CD PRO A 82 -13.977 24.686 273.317 1.00 11.21 C ATOM 0 HA PRO A 82 -13.225 27.565 274.406 1.00 11.54 H new ATOM 0 HB2 PRO A 82 -15.010 27.633 272.490 1.00 14.39 H new ATOM 0 HB3 PRO A 82 -13.563 27.172 272.136 1.00 14.39 H new ATOM 0 HG2 PRO A 82 -15.774 25.489 272.682 1.00 12.11 H new ATOM 0 HG3 PRO A 82 -14.756 25.327 271.511 1.00 12.11 H new ATOM 0 HD2 PRO A 82 -14.457 23.895 273.610 1.00 11.21 H new ATOM 0 HD3 PRO A 82 -13.185 24.380 272.847 1.00 11.21 H new ATOM 634 N PHE A 83 -15.929 26.642 275.602 1.00 10.63 N ATOM 635 CA PHE A 83 -17.044 27.091 276.421 1.00 12.52 C ATOM 636 C PHE A 83 -16.524 27.833 277.645 1.00 12.24 C ATOM 637 O PHE A 83 -15.532 27.431 278.258 1.00 13.91 O ATOM 638 CB PHE A 83 -17.891 25.898 276.859 1.00 10.73 C ATOM 639 CG PHE A 83 -18.456 25.092 275.718 1.00 9.86 C ATOM 640 CD1 PHE A 83 -19.690 25.419 275.173 1.00 8.95 C ATOM 641 CD2 PHE A 83 -17.770 23.989 275.221 1.00 8.92 C ATOM 642 CE1 PHE A 83 -20.230 24.669 274.133 1.00 9.78 C ATOM 643 CE2 PHE A 83 -18.293 23.232 274.176 1.00 9.65 C ATOM 644 CZ PHE A 83 -19.530 23.574 273.633 1.00 10.69 C ATOM 0 H PHE A 83 -15.854 25.788 275.534 1.00 10.63 H new ATOM 0 HA PHE A 83 -17.595 27.691 275.895 1.00 12.52 H new ATOM 0 HB2 PHE A 83 -17.350 25.317 277.416 1.00 10.73 H new ATOM 0 HB3 PHE A 83 -18.623 26.218 277.410 1.00 10.73 H new ATOM 0 HD1 PHE A 83 -20.161 26.148 275.507 1.00 8.95 H new ATOM 0 HD2 PHE A 83 -16.950 23.754 275.592 1.00 8.92 H new ATOM 0 HE1 PHE A 83 -21.056 24.898 273.773 1.00 9.78 H new ATOM 0 HE2 PHE A 83 -17.820 22.504 273.843 1.00 9.65 H new ATOM 0 HZ PHE A 83 -19.888 23.071 272.937 1.00 10.69 H new ATOM 645 N GLN A 84 -17.220 28.909 278.011 1.00 12.46 N ATOM 646 CA GLN A 84 -16.804 29.786 279.097 1.00 12.06 C ATOM 647 C GLN A 84 -17.722 29.614 280.299 1.00 13.45 C ATOM 648 O GLN A 84 -18.948 29.562 280.153 1.00 12.23 O ATOM 649 CB GLN A 84 -16.809 31.247 278.647 1.00 13.79 C ATOM 650 CG GLN A 84 -15.824 31.526 277.527 1.00 14.66 C ATOM 651 CD GLN A 84 -14.403 31.167 277.914 1.00 21.60 C ATOM 652 OE1 GLN A 84 -13.830 31.752 278.835 1.00 27.13 O ATOM 653 NE2 GLN A 84 -13.826 30.192 277.220 1.00 21.86 N ATOM 0 H GLN A 84 -17.953 29.150 277.631 1.00 12.46 H new ATOM 0 HA GLN A 84 -15.900 29.542 279.351 1.00 12.06 H new ATOM 0 HB2 GLN A 84 -17.702 31.487 278.353 1.00 13.79 H new ATOM 0 HB3 GLN A 84 -16.598 31.814 279.405 1.00 13.79 H new ATOM 0 HG2 GLN A 84 -16.081 31.021 276.739 1.00 14.66 H new ATOM 0 HG3 GLN A 84 -15.865 32.465 277.288 1.00 14.66 H new ATOM 0 HE21 GLN A 84 -14.255 29.805 276.583 1.00 21.86 H new ATOM 0 HE22 GLN A 84 -13.023 29.948 277.408 1.00 21.86 H new ATOM 654 N ASP A 85 -17.110 29.540 281.481 1.00 13.29 N ATOM 655 CA ASP A 85 -17.835 29.328 282.732 1.00 12.73 C ATOM 656 C ASP A 85 -18.938 30.364 282.921 1.00 13.05 C ATOM 657 O ASP A 85 -18.705 31.573 282.809 1.00 14.78 O ATOM 658 CB ASP A 85 -16.841 29.389 283.894 1.00 13.72 C ATOM 659 CG ASP A 85 -17.372 28.773 285.181 1.00 15.76 C ATOM 660 OD1 ASP A 85 -18.564 28.411 285.264 1.00 12.49 O ATOM 661 OD2 ASP A 85 -16.564 28.651 286.127 1.00 19.65 O ATOM 0 H ASP A 85 -16.259 29.612 281.579 1.00 13.29 H new ATOM 0 HA ASP A 85 -18.261 28.457 282.705 1.00 12.73 H new ATOM 0 HB2 ASP A 85 -16.026 28.931 283.637 1.00 13.72 H new ATOM 0 HB3 ASP A 85 -16.605 30.315 284.060 1.00 13.72 H new ATOM 662 N GLY A 86 -20.147 29.877 283.207 1.00 12.53 N ATOM 663 CA GLY A 86 -21.272 30.737 283.511 1.00 13.31 C ATOM 664 C GLY A 86 -21.893 31.465 282.342 1.00 16.12 C ATOM 665 O GLY A 86 -22.760 32.316 282.559 1.00 18.96 O ATOM 0 H GLY A 86 -20.330 29.037 283.228 1.00 12.53 H new ATOM 0 HA2 GLY A 86 -21.960 30.200 283.935 1.00 13.31 H new ATOM 0 HA3 GLY A 86 -20.984 31.396 284.162 1.00 13.31 H new ATOM 666 N GLN A 87 -21.507 31.151 281.108 1.00 11.65 N ATOM 667 CA GLN A 87 -21.903 31.943 279.953 1.00 13.88 C ATOM 668 C GLN A 87 -22.866 31.183 279.051 1.00 13.22 C ATOM 669 O GLN A 87 -22.815 29.955 278.954 1.00 12.74 O ATOM 670 CB GLN A 87 -20.673 32.359 279.136 1.00 14.88 C ATOM 671 CG GLN A 87 -19.649 33.152 279.929 1.00 16.88 C ATOM 672 CD GLN A 87 -20.281 34.216 280.800 1.00 22.97 C ATOM 673 OE1 GLN A 87 -21.008 35.074 280.311 1.00 22.94 O ATOM 674 NE2 GLN A 87 -20.001 34.167 282.100 1.00 21.35 N ATOM 0 H GLN A 87 -21.010 30.475 280.920 1.00 11.65 H new ATOM 0 HA GLN A 87 -22.354 32.732 280.292 1.00 13.88 H new ATOM 0 HB2 GLN A 87 -20.248 31.563 278.780 1.00 14.88 H new ATOM 0 HB3 GLN A 87 -20.963 32.889 278.378 1.00 14.88 H new ATOM 0 HG2 GLN A 87 -19.137 32.545 280.486 1.00 16.88 H new ATOM 0 HG3 GLN A 87 -19.024 33.570 279.316 1.00 16.88 H new ATOM 0 HE21 GLN A 87 -19.486 33.550 282.406 1.00 21.35 H new ATOM 0 HE22 GLN A 87 -20.335 34.753 282.634 1.00 21.35 H new ATOM 675 N GLU A 88 -23.741 31.937 278.388 1.00 11.77 N ATOM 676 CA GLU A 88 -24.497 31.398 277.267 1.00 12.59 C ATOM 677 C GLU A 88 -23.544 31.000 276.143 1.00 13.47 C ATOM 678 O GLU A 88 -22.492 31.612 275.945 1.00 16.66 O ATOM 679 CB GLU A 88 -25.514 32.432 276.774 1.00 15.44 C ATOM 680 CG GLU A 88 -26.281 32.023 275.529 1.00 23.40 C ATOM 681 CD GLU A 88 -27.473 32.917 275.256 1.00 35.40 C ATOM 682 OE1 GLU A 88 -28.624 32.453 275.422 1.00 34.06 O ATOM 683 OE2 GLU A 88 -27.253 34.087 274.878 1.00 37.11 O ATOM 0 H GLU A 88 -23.909 32.760 278.573 1.00 11.77 H new ATOM 0 HA GLU A 88 -24.980 30.608 277.557 1.00 12.59 H new ATOM 0 HB2 GLU A 88 -26.148 32.609 277.486 1.00 15.44 H new ATOM 0 HB3 GLU A 88 -25.050 33.264 276.594 1.00 15.44 H new ATOM 0 HG2 GLU A 88 -25.684 32.044 274.765 1.00 23.40 H new ATOM 0 HG3 GLU A 88 -26.584 31.107 275.627 1.00 23.40 H new ATOM 684 N PHE A 89 -23.899 29.942 275.423 1.00 11.35 N ATOM 685 CA PHE A 89 -23.102 29.485 274.292 1.00 11.74 C ATOM 686 C PHE A 89 -23.981 29.356 273.058 1.00 12.62 C ATOM 687 O PHE A 89 -25.191 29.139 273.155 1.00 10.03 O ATOM 688 CB PHE A 89 -22.420 28.132 274.572 1.00 10.28 C ATOM 689 CG PHE A 89 -23.381 27.028 274.928 1.00 10.60 C ATOM 690 CD1 PHE A 89 -24.071 26.338 273.943 1.00 11.61 C ATOM 691 CD2 PHE A 89 -23.605 26.687 276.250 1.00 11.52 C ATOM 692 CE1 PHE A 89 -24.963 25.327 274.273 1.00 13.58 C ATOM 693 CE2 PHE A 89 -24.495 25.686 276.586 1.00 12.63 C ATOM 694 CZ PHE A 89 -25.177 25.005 275.601 1.00 13.82 C ATOM 0 H PHE A 89 -24.603 29.472 275.575 1.00 11.35 H new ATOM 0 HA PHE A 89 -22.408 30.146 274.143 1.00 11.74 H new ATOM 0 HB2 PHE A 89 -21.912 27.867 273.789 1.00 10.28 H new ATOM 0 HB3 PHE A 89 -21.786 28.243 275.297 1.00 10.28 H new ATOM 0 HD1 PHE A 89 -23.934 26.555 273.049 1.00 11.61 H new ATOM 0 HD2 PHE A 89 -23.149 27.139 276.923 1.00 11.52 H new ATOM 0 HE1 PHE A 89 -25.416 24.867 273.603 1.00 13.58 H new ATOM 0 HE2 PHE A 89 -24.635 25.471 277.480 1.00 12.63 H new ATOM 0 HZ PHE A 89 -25.778 24.333 275.828 1.00 13.82 H new ATOM 695 N GLU A 90 -23.356 29.491 271.891 1.00 11.70 N ATOM 696 CA GLU A 90 -24.004 29.190 270.622 1.00 12.21 C ATOM 697 C GLU A 90 -23.217 28.086 269.935 1.00 11.47 C ATOM 698 O GLU A 90 -22.025 28.252 269.651 1.00 12.29 O ATOM 699 CB GLU A 90 -24.101 30.422 269.726 1.00 15.21 C ATOM 700 CG GLU A 90 -24.889 30.138 268.458 1.00 21.79 C ATOM 701 CD GLU A 90 -25.297 31.394 267.725 1.00 31.31 C ATOM 702 OE1 GLU A 90 -24.907 32.498 268.163 1.00 38.35 O ATOM 703 OE2 GLU A 90 -26.029 31.275 266.721 1.00 33.05 O ATOM 0 H GLU A 90 -22.543 29.760 271.815 1.00 11.70 H new ATOM 0 HA GLU A 90 -24.914 28.899 270.792 1.00 12.21 H new ATOM 0 HB2 GLU A 90 -24.525 31.145 270.215 1.00 15.21 H new ATOM 0 HB3 GLU A 90 -23.209 30.723 269.492 1.00 15.21 H new ATOM 0 HG2 GLU A 90 -24.354 29.584 267.868 1.00 21.79 H new ATOM 0 HG3 GLU A 90 -25.683 29.628 268.684 1.00 21.79 H new ATOM 704 N LEU A 91 -23.884 26.965 269.682 1.00 9.92 N ATOM 705 CA LEU A 91 -23.296 25.793 269.048 1.00 10.55 C ATOM 706 C LEU A 91 -23.816 25.724 267.619 1.00 11.66 C ATOM 707 O LEU A 91 -25.012 25.915 267.388 1.00 13.77 O ATOM 708 CB LEU A 91 -23.687 24.536 269.835 1.00 16.78 C ATOM 709 CG LEU A 91 -22.918 23.224 269.764 1.00 22.70 C ATOM 710 CD1 LEU A 91 -21.493 23.416 270.245 1.00 20.84 C ATOM 711 CD2 LEU A 91 -23.634 22.185 270.617 1.00 15.54 C ATOM 0 H LEU A 91 -24.715 26.863 269.880 1.00 9.92 H new ATOM 0 HA LEU A 91 -22.328 25.851 269.039 1.00 10.55 H new ATOM 0 HB2 LEU A 91 -23.701 24.793 270.770 1.00 16.78 H new ATOM 0 HB3 LEU A 91 -24.601 24.330 269.583 1.00 16.78 H new ATOM 0 HG LEU A 91 -22.883 22.919 268.844 1.00 22.70 H new ATOM 0 HD11 LEU A 91 -21.017 22.572 270.194 1.00 20.84 H new ATOM 0 HD12 LEU A 91 -21.048 24.072 269.686 1.00 20.84 H new ATOM 0 HD13 LEU A 91 -21.501 23.727 271.164 1.00 20.84 H new ATOM 0 HD21 LEU A 91 -23.151 21.345 270.578 1.00 15.54 H new ATOM 0 HD22 LEU A 91 -23.673 22.492 271.536 1.00 15.54 H new ATOM 0 HD23 LEU A 91 -24.535 22.055 270.281 1.00 15.54 H new ATOM 712 N SER A 92 -22.924 25.501 266.653 1.00 9.36 N ATOM 713 CA SER A 92 -23.328 25.367 265.258 1.00 10.91 C ATOM 714 C SER A 92 -22.684 24.103 264.716 1.00 16.47 C ATOM 715 O SER A 92 -21.454 24.023 264.640 1.00 20.69 O ATOM 716 CB SER A 92 -22.901 26.587 264.436 1.00 14.60 C ATOM 717 OG SER A 92 -23.434 26.549 263.123 1.00 24.32 O ATOM 0 H SER A 92 -22.078 25.424 266.788 1.00 9.36 H new ATOM 0 HA SER A 92 -24.294 25.312 265.196 1.00 10.91 H new ATOM 0 HB2 SER A 92 -23.196 27.397 264.882 1.00 14.60 H new ATOM 0 HB3 SER A 92 -21.933 26.624 264.391 1.00 14.60 H new ATOM 0 HG SER A 92 -22.807 26.579 262.565 1.00 24.32 H new ATOM 718 N ILE A 93 -23.501 23.112 264.359 1.00 9.74 N ATOM 719 CA ILE A 93 -22.994 21.834 263.859 1.00 7.72 C ATOM 720 C ILE A 93 -23.335 21.766 262.375 1.00 9.46 C ATOM 721 O ILE A 93 -24.513 21.673 262.007 1.00 10.99 O ATOM 722 CB ILE A 93 -23.579 20.629 264.611 1.00 8.13 C ATOM 723 CG1 ILE A 93 -23.293 20.712 266.118 1.00 8.71 C ATOM 724 CG2 ILE A 93 -23.004 19.324 264.040 1.00 9.04 C ATOM 725 CD1 ILE A 93 -24.076 19.711 266.935 1.00 14.46 C ATOM 0 H ILE A 93 -24.359 23.161 264.399 1.00 9.74 H new ATOM 0 HA ILE A 93 -22.036 21.789 264.002 1.00 7.72 H new ATOM 0 HB ILE A 93 -24.541 20.640 264.489 1.00 8.13 H new ATOM 0 HG12 ILE A 93 -22.345 20.571 266.268 1.00 8.71 H new ATOM 0 HG13 ILE A 93 -23.500 21.607 266.431 1.00 8.71 H new ATOM 0 HG21 ILE A 93 -23.378 18.568 264.520 1.00 9.04 H new ATOM 0 HG22 ILE A 93 -23.231 19.254 263.100 1.00 9.04 H new ATOM 0 HG23 ILE A 93 -22.039 19.324 264.140 1.00 9.04 H new ATOM 0 HD11 ILE A 93 -23.852 19.813 267.873 1.00 14.46 H new ATOM 0 HD12 ILE A 93 -25.026 19.864 266.811 1.00 14.46 H new ATOM 0 HD13 ILE A 93 -23.853 18.812 266.646 1.00 14.46 H new ATOM 726 N SER A 94 -22.313 21.791 261.521 1.00 8.22 N ATOM 727 CA SER A 94 -22.508 21.811 260.077 1.00 9.46 C ATOM 728 C SER A 94 -22.205 20.444 259.487 1.00 8.98 C ATOM 729 O SER A 94 -21.243 19.784 259.887 1.00 9.26 O ATOM 730 CB SER A 94 -21.616 22.858 259.407 1.00 13.84 C ATOM 731 OG SER A 94 -22.092 24.163 259.693 1.00 28.67 O ATOM 0 H SER A 94 -21.488 21.797 261.765 1.00 8.22 H new ATOM 0 HA SER A 94 -23.435 22.043 259.910 1.00 9.46 H new ATOM 0 HB2 SER A 94 -20.703 22.764 259.721 1.00 13.84 H new ATOM 0 HB3 SER A 94 -21.602 22.715 258.448 1.00 13.84 H new ATOM 0 HG SER A 94 -22.911 24.208 259.514 1.00 28.67 H new ATOM 732 N VAL A 95 -23.032 20.026 258.530 1.00 7.45 N ATOM 733 CA VAL A 95 -22.830 18.761 257.829 1.00 8.45 C ATOM 734 C VAL A 95 -22.015 19.048 256.571 1.00 10.97 C ATOM 735 O VAL A 95 -22.530 19.576 255.586 1.00 9.80 O ATOM 736 CB VAL A 95 -24.162 18.089 257.504 1.00 9.13 C ATOM 737 CG1 VAL A 95 -23.916 16.726 256.887 1.00 13.54 C ATOM 738 CG2 VAL A 95 -25.003 17.974 258.777 1.00 10.74 C ATOM 0 H VAL A 95 -23.723 20.467 258.270 1.00 7.45 H new ATOM 0 HA VAL A 95 -22.347 18.138 258.394 1.00 8.45 H new ATOM 0 HB VAL A 95 -24.650 18.627 256.861 1.00 9.13 H new ATOM 0 HG11 VAL A 95 -24.766 16.305 256.683 1.00 13.54 H new ATOM 0 HG12 VAL A 95 -23.402 16.828 256.071 1.00 13.54 H new ATOM 0 HG13 VAL A 95 -23.423 16.172 257.512 1.00 13.54 H new ATOM 0 HG21 VAL A 95 -25.849 17.547 258.569 1.00 10.74 H new ATOM 0 HG22 VAL A 95 -24.526 17.443 259.433 1.00 10.74 H new ATOM 0 HG23 VAL A 95 -25.168 18.859 259.137 1.00 10.74 H new ATOM 739 N LEU A 96 -20.734 18.714 256.612 1.00 9.79 N ATOM 740 CA LEU A 96 -19.868 18.808 255.443 1.00 12.36 C ATOM 741 C LEU A 96 -19.852 17.470 254.725 1.00 11.37 C ATOM 742 O LEU A 96 -20.343 16.461 255.241 1.00 9.34 O ATOM 743 CB LEU A 96 -18.467 19.238 255.877 1.00 7.82 C ATOM 744 CG LEU A 96 -18.373 20.467 256.778 1.00 12.67 C ATOM 745 CD1 LEU A 96 -16.917 20.825 257.066 1.00 14.68 C ATOM 746 CD2 LEU A 96 -19.109 21.648 256.167 1.00 17.39 C ATOM 0 H LEU A 96 -20.339 18.425 257.320 1.00 9.79 H new ATOM 0 HA LEU A 96 -20.203 19.477 254.826 1.00 12.36 H new ATOM 0 HB2 LEU A 96 -18.051 18.493 256.338 1.00 7.82 H new ATOM 0 HB3 LEU A 96 -17.942 19.407 255.079 1.00 7.82 H new ATOM 0 HG LEU A 96 -18.801 20.250 257.621 1.00 12.67 H new ATOM 0 HD11 LEU A 96 -16.883 21.607 257.639 1.00 14.68 H new ATOM 0 HD12 LEU A 96 -16.482 20.080 257.510 1.00 14.68 H new ATOM 0 HD13 LEU A 96 -16.459 21.015 256.232 1.00 14.68 H new ATOM 0 HD21 LEU A 96 -19.035 22.415 256.756 1.00 17.39 H new ATOM 0 HD22 LEU A 96 -18.718 21.863 255.306 1.00 17.39 H new ATOM 0 HD23 LEU A 96 -20.044 21.420 256.049 1.00 17.39 H new ATOM 747 N PRO A 97 -19.320 17.407 253.501 1.00 11.80 N ATOM 748 CA PRO A 97 -19.327 16.115 252.797 1.00 12.80 C ATOM 749 C PRO A 97 -18.595 15.014 253.540 1.00 11.47 C ATOM 750 O PRO A 97 -19.011 13.850 253.470 1.00 13.52 O ATOM 751 CB PRO A 97 -18.648 16.443 251.458 1.00 15.10 C ATOM 752 CG PRO A 97 -18.910 17.873 251.258 1.00 13.04 C ATOM 753 CD PRO A 97 -18.884 18.505 252.618 1.00 15.00 C ATOM 0 HA PRO A 97 -20.225 15.762 252.703 1.00 12.80 H new ATOM 0 HB2 PRO A 97 -17.696 16.259 251.489 1.00 15.10 H new ATOM 0 HB3 PRO A 97 -19.016 15.911 250.735 1.00 15.10 H new ATOM 0 HG2 PRO A 97 -18.239 18.269 250.680 1.00 13.04 H new ATOM 0 HG3 PRO A 97 -19.770 18.010 250.830 1.00 13.04 H new ATOM 0 HD2 PRO A 97 -17.997 18.822 252.850 1.00 15.00 H new ATOM 0 HD3 PRO A 97 -19.481 19.268 252.671 1.00 15.00 H new ATOM 754 N ASP A 98 -17.522 15.344 254.265 1.00 10.50 N ATOM 755 CA ASP A 98 -16.697 14.336 254.906 1.00 11.40 C ATOM 756 C ASP A 98 -16.882 14.243 256.416 1.00 8.64 C ATOM 757 O ASP A 98 -16.450 13.245 257.009 1.00 9.67 O ATOM 758 CB ASP A 98 -15.213 14.601 254.601 1.00 12.82 C ATOM 0 H ASP A 98 -17.260 16.153 254.394 1.00 10.50 H new ATOM 0 HA ASP A 98 -16.987 13.487 254.536 1.00 11.40 H new ATOM 759 N LYS A 99 -17.520 15.224 257.053 1.00 8.64 N ATOM 760 CA LYS A 99 -17.501 15.277 258.510 1.00 7.00 C ATOM 761 C LYS A 99 -18.568 16.242 258.998 1.00 6.12 C ATOM 762 O LYS A 99 -19.096 17.051 258.231 1.00 7.65 O ATOM 763 CB LYS A 99 -16.135 15.731 259.026 1.00 8.12 C ATOM 764 CG LYS A 99 -15.790 17.154 258.636 1.00 8.99 C ATOM 765 CD LYS A 99 -14.271 17.333 258.640 1.00 12.24 C ATOM 766 CE LYS A 99 -13.846 18.365 257.637 1.00 21.36 C ATOM 767 NZ LYS A 99 -12.443 18.110 257.158 1.00 14.09 N ATOM 0 H LYS A 99 -17.960 15.855 256.669 1.00 8.64 H new ATOM 0 HA LYS A 99 -17.678 14.386 258.849 1.00 7.00 H new ATOM 0 HB2 LYS A 99 -16.120 15.654 259.993 1.00 8.12 H new ATOM 0 HB3 LYS A 99 -15.452 15.134 258.683 1.00 8.12 H new ATOM 0 HG2 LYS A 99 -16.146 17.353 257.756 1.00 8.99 H new ATOM 0 HG3 LYS A 99 -16.200 17.777 259.256 1.00 8.99 H new ATOM 0 HD2 LYS A 99 -13.976 17.597 259.525 1.00 12.24 H new ATOM 0 HD3 LYS A 99 -13.842 16.487 258.439 1.00 12.24 H new ATOM 0 HE2 LYS A 99 -14.455 18.357 256.882 1.00 21.36 H new ATOM 0 HE3 LYS A 99 -13.900 19.248 258.035 1.00 21.36 H new ATOM 0 HZ1 LYS A 99 -12.214 18.733 256.565 1.00 14.09 H new ATOM 0 HZ2 LYS A 99 -11.883 18.138 257.849 1.00 14.09 H new ATOM 0 HZ3 LYS A 99 -12.401 17.308 256.775 1.00 14.09 H new ATOM 768 N TYR A 100 -18.851 16.165 260.301 1.00 5.68 N ATOM 769 CA TYR A 100 -19.513 17.246 261.022 1.00 6.10 C ATOM 770 C TYR A 100 -18.455 18.222 261.495 1.00 7.46 C ATOM 771 O TYR A 100 -17.391 17.809 261.964 1.00 8.77 O ATOM 772 CB TYR A 100 -20.287 16.723 262.235 1.00 5.87 C ATOM 773 CG TYR A 100 -21.378 15.751 261.878 1.00 5.88 C ATOM 774 CD1 TYR A 100 -22.592 16.212 261.383 1.00 8.07 C ATOM 775 CD2 TYR A 100 -21.192 14.383 262.013 1.00 6.82 C ATOM 776 CE1 TYR A 100 -23.602 15.330 261.039 1.00 6.96 C ATOM 777 CE2 TYR A 100 -22.187 13.490 261.669 1.00 5.83 C ATOM 778 CZ TYR A 100 -23.393 13.975 261.188 1.00 6.37 C ATOM 779 OH TYR A 100 -24.388 13.104 260.829 1.00 8.39 O ATOM 0 H TYR A 100 -18.663 15.482 260.789 1.00 5.68 H new ATOM 0 HA TYR A 100 -20.146 17.675 260.425 1.00 6.10 H new ATOM 0 HB2 TYR A 100 -19.667 16.292 262.844 1.00 5.87 H new ATOM 0 HB3 TYR A 100 -20.676 17.474 262.710 1.00 5.87 H new ATOM 0 HD1 TYR A 100 -22.728 17.126 261.281 1.00 8.07 H new ATOM 0 HD2 TYR A 100 -20.383 14.062 262.341 1.00 6.82 H new ATOM 0 HE1 TYR A 100 -24.412 15.648 260.711 1.00 6.96 H new ATOM 0 HE2 TYR A 100 -22.050 12.575 261.759 1.00 5.83 H new ATOM 0 HH TYR A 100 -24.840 13.437 260.204 1.00 8.39 H new ATOM 780 N GLN A 101 -18.751 19.514 261.376 1.00 6.46 N ATOM 781 CA GLN A 101 -17.918 20.562 261.955 1.00 7.15 C ATOM 782 C GLN A 101 -18.705 21.297 263.027 1.00 7.06 C ATOM 783 O GLN A 101 -19.823 21.757 262.775 1.00 8.14 O ATOM 784 CB GLN A 101 -17.440 21.543 260.888 1.00 7.90 C ATOM 785 CG GLN A 101 -16.644 22.702 261.487 1.00 10.45 C ATOM 786 CD GLN A 101 -15.903 23.495 260.440 1.00 10.97 C ATOM 787 OE1 GLN A 101 -14.749 23.895 260.639 1.00 13.58 O ATOM 788 NE2 GLN A 101 -16.560 23.742 259.325 1.00 10.45 N ATOM 0 H GLN A 101 -19.442 19.807 260.956 1.00 6.46 H new ATOM 0 HA GLN A 101 -17.134 20.150 262.350 1.00 7.15 H new ATOM 0 HB2 GLN A 101 -16.889 21.073 260.242 1.00 7.90 H new ATOM 0 HB3 GLN A 101 -18.206 21.893 260.406 1.00 7.90 H new ATOM 0 HG2 GLN A 101 -17.247 23.290 261.968 1.00 10.45 H new ATOM 0 HG3 GLN A 101 -16.010 22.355 262.134 1.00 10.45 H new ATOM 0 HE21 GLN A 101 -17.361 23.447 259.224 1.00 10.45 H new ATOM 0 HE22 GLN A 101 -16.187 24.198 258.699 1.00 10.45 H new ATOM 789 N VAL A 102 -18.111 21.426 264.209 1.00 6.08 N ATOM 790 CA VAL A 102 -18.766 22.021 265.366 1.00 6.57 C ATOM 791 C VAL A 102 -18.109 23.366 265.633 1.00 8.40 C ATOM 792 O VAL A 102 -16.905 23.428 265.914 1.00 9.47 O ATOM 793 CB VAL A 102 -18.679 21.111 266.600 1.00 7.68 C ATOM 794 CG1 VAL A 102 -19.383 21.762 267.794 1.00 10.13 C ATOM 795 CG2 VAL A 102 -19.280 19.740 266.296 1.00 9.31 C ATOM 0 H VAL A 102 -17.306 21.167 264.362 1.00 6.08 H new ATOM 0 HA VAL A 102 -19.711 22.138 265.180 1.00 6.57 H new ATOM 0 HB VAL A 102 -17.745 20.988 266.829 1.00 7.68 H new ATOM 0 HG11 VAL A 102 -19.320 21.177 268.565 1.00 10.13 H new ATOM 0 HG12 VAL A 102 -18.959 22.610 267.997 1.00 10.13 H new ATOM 0 HG13 VAL A 102 -20.317 21.912 267.577 1.00 10.13 H new ATOM 0 HG21 VAL A 102 -19.218 19.177 267.084 1.00 9.31 H new ATOM 0 HG22 VAL A 102 -20.211 19.843 266.045 1.00 9.31 H new ATOM 0 HG23 VAL A 102 -18.793 19.328 265.565 1.00 9.31 H new ATOM 796 N MET A 103 -18.896 24.436 265.530 1.00 8.22 N ATOM 797 CA MET A 103 -18.468 25.780 265.894 1.00 7.22 C ATOM 798 C MET A 103 -19.036 26.109 267.264 1.00 8.98 C ATOM 799 O MET A 103 -20.193 25.794 267.550 1.00 9.85 O ATOM 800 CB MET A 103 -18.956 26.827 264.887 1.00 11.24 C ATOM 801 CG MET A 103 -18.872 26.406 263.447 1.00 14.58 C ATOM 802 SD MET A 103 -17.178 26.414 262.831 1.00 14.37 S ATOM 803 CE MET A 103 -16.926 28.165 262.586 1.00 14.56 C ATOM 0 H MET A 103 -19.705 24.398 265.242 1.00 8.22 H new ATOM 0 HA MET A 103 -17.498 25.802 265.899 1.00 7.22 H new ATOM 0 HB2 MET A 103 -19.878 27.049 265.092 1.00 11.24 H new ATOM 0 HB3 MET A 103 -18.436 27.637 265.005 1.00 11.24 H new ATOM 0 HG2 MET A 103 -19.245 25.516 263.350 1.00 14.58 H new ATOM 0 HG3 MET A 103 -19.414 27.001 262.906 1.00 14.58 H new ATOM 0 HE1 MET A 103 -16.694 28.332 261.659 1.00 14.56 H new ATOM 0 HE2 MET A 103 -17.741 28.643 262.806 1.00 14.56 H new ATOM 0 HE3 MET A 103 -16.206 28.472 263.160 1.00 14.56 H new ATOM 804 N VAL A 104 -18.212 26.706 268.118 1.00 7.24 N ATOM 805 CA VAL A 104 -18.642 27.173 269.432 1.00 8.29 C ATOM 806 C VAL A 104 -18.402 28.673 269.477 1.00 9.53 C ATOM 807 O VAL A 104 -17.255 29.126 269.366 1.00 9.27 O ATOM 808 CB VAL A 104 -17.897 26.459 270.567 1.00 8.86 C ATOM 809 CG1 VAL A 104 -18.356 27.003 271.910 1.00 10.03 C ATOM 810 CG2 VAL A 104 -18.137 24.945 270.501 1.00 9.15 C ATOM 0 H VAL A 104 -17.381 26.853 267.950 1.00 7.24 H new ATOM 0 HA VAL A 104 -19.582 26.971 269.563 1.00 8.29 H new ATOM 0 HB VAL A 104 -16.946 26.624 270.466 1.00 8.86 H new ATOM 0 HG11 VAL A 104 -17.881 26.548 272.623 1.00 10.03 H new ATOM 0 HG12 VAL A 104 -18.171 27.954 271.955 1.00 10.03 H new ATOM 0 HG13 VAL A 104 -19.309 26.855 272.011 1.00 10.03 H new ATOM 0 HG21 VAL A 104 -17.660 24.510 271.224 1.00 9.15 H new ATOM 0 HG22 VAL A 104 -19.086 24.764 270.585 1.00 9.15 H new ATOM 0 HG23 VAL A 104 -17.817 24.603 269.651 1.00 9.15 H new ATOM 811 N ASN A 105 -19.482 29.439 269.637 1.00 8.92 N ATOM 812 CA ASN A 105 -19.407 30.897 269.661 1.00 10.63 C ATOM 813 C ASN A 105 -18.629 31.417 268.456 1.00 12.18 C ATOM 814 O ASN A 105 -17.809 32.333 268.562 1.00 15.71 O ATOM 815 CB ASN A 105 -18.802 31.386 270.980 1.00 12.39 C ATOM 816 CG ASN A 105 -19.587 30.897 272.181 1.00 14.69 C ATOM 817 OD1 ASN A 105 -20.818 30.839 272.133 1.00 14.07 O ATOM 818 ND2 ASN A 105 -18.887 30.517 273.247 1.00 14.39 N ATOM 0 H ASN A 105 -20.277 29.127 269.734 1.00 8.92 H new ATOM 0 HA ASN A 105 -20.307 31.254 269.603 1.00 10.63 H new ATOM 0 HB2 ASN A 105 -17.884 31.079 271.048 1.00 12.39 H new ATOM 0 HB3 ASN A 105 -18.777 32.356 270.984 1.00 12.39 H new ATOM 0 HD21 ASN A 105 -19.293 30.215 273.943 1.00 14.39 H new ATOM 0 HD22 ASN A 105 -18.029 30.573 273.240 1.00 14.39 H new ATOM 819 N GLY A 106 -18.877 30.800 267.300 1.00 9.86 N ATOM 820 CA GLY A 106 -18.310 31.237 266.041 1.00 11.38 C ATOM 821 C GLY A 106 -16.931 30.696 265.714 1.00 13.28 C ATOM 822 O GLY A 106 -16.392 31.035 264.651 1.00 13.81 O ATOM 0 H GLY A 106 -19.385 30.110 267.232 1.00 9.86 H new ATOM 0 HA2 GLY A 106 -18.916 30.983 265.327 1.00 11.38 H new ATOM 0 HA3 GLY A 106 -18.266 32.206 266.045 1.00 11.38 H new ATOM 823 N GLN A 107 -16.344 29.883 266.586 1.00 12.38 N ATOM 824 CA GLN A 107 -14.985 29.379 266.427 1.00 12.50 C ATOM 825 C GLN A 107 -15.030 27.883 266.138 1.00 10.31 C ATOM 826 O GLN A 107 -15.661 27.127 266.880 1.00 9.11 O ATOM 827 CB GLN A 107 -14.175 29.670 267.694 1.00 18.06 C ATOM 828 CG GLN A 107 -12.894 28.892 267.865 1.00 18.45 C ATOM 829 CD GLN A 107 -12.284 29.073 269.255 1.00 24.71 C ATOM 830 OE1 GLN A 107 -12.709 29.936 270.026 1.00 27.90 O ATOM 831 NE2 GLN A 107 -11.295 28.252 269.579 1.00 30.39 N ATOM 0 H GLN A 107 -16.732 29.604 267.301 1.00 12.38 H new ATOM 0 HA GLN A 107 -14.553 29.824 265.681 1.00 12.50 H new ATOM 0 HB2 GLN A 107 -13.960 30.616 267.707 1.00 18.06 H new ATOM 0 HB3 GLN A 107 -14.741 29.497 268.463 1.00 18.06 H new ATOM 0 HG2 GLN A 107 -13.067 27.950 267.711 1.00 18.45 H new ATOM 0 HG3 GLN A 107 -12.254 29.176 267.194 1.00 18.45 H new ATOM 0 HE21 GLN A 107 -11.024 27.662 269.015 1.00 30.39 H new ATOM 0 HE22 GLN A 107 -10.924 28.310 270.353 1.00 30.39 H new ATOM 832 N SER A 108 -14.360 27.453 265.065 1.00 8.50 N ATOM 833 CA SER A 108 -14.272 26.023 264.781 1.00 7.96 C ATOM 834 C SER A 108 -13.583 25.309 265.938 1.00 9.61 C ATOM 835 O SER A 108 -12.477 25.681 266.341 1.00 9.89 O ATOM 836 CB SER A 108 -13.512 25.776 263.473 1.00 8.57 C ATOM 837 OG SER A 108 -13.402 24.380 263.235 1.00 10.80 O ATOM 0 H SER A 108 -13.958 27.963 264.501 1.00 8.50 H new ATOM 0 HA SER A 108 -15.170 25.670 264.680 1.00 7.96 H new ATOM 0 HB2 SER A 108 -13.975 26.203 262.735 1.00 8.57 H new ATOM 0 HB3 SER A 108 -12.629 26.174 263.522 1.00 8.57 H new ATOM 0 HG SER A 108 -13.773 24.190 262.506 1.00 10.80 H new ATOM 838 N SER A 109 -14.248 24.288 266.489 1.00 7.34 N ATOM 839 CA SER A 109 -13.765 23.703 267.735 1.00 5.18 C ATOM 840 C SER A 109 -13.625 22.184 267.727 1.00 6.54 C ATOM 841 O SER A 109 -12.841 21.639 268.509 1.00 8.23 O ATOM 842 CB SER A 109 -14.684 24.137 268.884 1.00 9.31 C ATOM 843 OG SER A 109 -14.640 25.551 269.046 1.00 10.57 O ATOM 0 H SER A 109 -14.960 23.931 266.165 1.00 7.34 H new ATOM 0 HA SER A 109 -12.863 24.039 267.854 1.00 5.18 H new ATOM 0 HB2 SER A 109 -15.594 23.854 268.703 1.00 9.31 H new ATOM 0 HB3 SER A 109 -14.410 23.702 269.707 1.00 9.31 H new ATOM 0 HG SER A 109 -14.970 25.921 268.368 1.00 10.57 H new ATOM 844 N TYR A 110 -14.390 21.484 266.885 1.00 8.18 N ATOM 845 CA TYR A 110 -14.315 20.027 266.794 1.00 7.15 C ATOM 846 C TYR A 110 -14.776 19.611 265.407 1.00 6.06 C ATOM 847 O TYR A 110 -15.594 20.294 264.793 1.00 7.50 O ATOM 848 CB TYR A 110 -15.197 19.303 267.845 1.00 9.05 C ATOM 849 CG TYR A 110 -15.148 19.903 269.232 1.00 8.01 C ATOM 850 CD1 TYR A 110 -14.193 19.490 270.158 1.00 8.33 C ATOM 851 CD2 TYR A 110 -16.047 20.895 269.608 1.00 7.86 C ATOM 852 CE1 TYR A 110 -14.131 20.058 271.425 1.00 9.15 C ATOM 853 CE2 TYR A 110 -15.991 21.472 270.858 1.00 8.64 C ATOM 854 CZ TYR A 110 -15.036 21.047 271.763 1.00 8.34 C ATOM 855 OH TYR A 110 -14.989 21.628 272.999 1.00 9.89 O ATOM 0 H TYR A 110 -14.964 21.841 266.353 1.00 8.18 H new ATOM 0 HA TYR A 110 -13.395 19.772 266.966 1.00 7.15 H new ATOM 0 HB2 TYR A 110 -16.116 19.308 267.536 1.00 9.05 H new ATOM 0 HB3 TYR A 110 -14.920 18.375 267.897 1.00 9.05 H new ATOM 0 HD1 TYR A 110 -13.587 18.824 269.925 1.00 8.33 H new ATOM 0 HD2 TYR A 110 -16.698 21.174 269.005 1.00 7.86 H new ATOM 0 HE1 TYR A 110 -13.490 19.777 272.037 1.00 9.15 H new ATOM 0 HE2 TYR A 110 -16.591 22.143 271.091 1.00 8.64 H new ATOM 0 HH TYR A 110 -14.241 21.478 273.351 1.00 9.89 H new ATOM 856 N THR A 111 -14.249 18.485 264.907 1.00 6.95 N ATOM 857 CA THR A 111 -14.854 17.832 263.749 1.00 7.54 C ATOM 858 C THR A 111 -14.871 16.320 263.964 1.00 7.50 C ATOM 859 O THR A 111 -14.122 15.770 264.774 1.00 9.07 O ATOM 860 CB THR A 111 -14.160 18.163 262.400 1.00 9.97 C ATOM 861 OG1 THR A 111 -12.885 17.514 262.309 1.00 9.55 O ATOM 862 CG2 THR A 111 -13.986 19.673 262.187 1.00 8.95 C ATOM 0 H THR A 111 -13.552 18.092 265.222 1.00 6.95 H new ATOM 0 HA THR A 111 -15.756 18.182 263.680 1.00 7.54 H new ATOM 0 HB THR A 111 -14.743 17.829 261.700 1.00 9.97 H new ATOM 0 HG1 THR A 111 -12.994 16.712 262.086 1.00 9.55 H new ATOM 0 HG21 THR A 111 -13.550 19.832 261.335 1.00 8.95 H new ATOM 0 HG22 THR A 111 -14.856 20.103 262.190 1.00 8.95 H new ATOM 0 HG23 THR A 111 -13.442 20.040 262.901 1.00 8.95 H new ATOM 863 N PHE A 112 -15.754 15.653 263.222 1.00 6.78 N ATOM 864 CA PHE A 112 -16.002 14.225 263.405 1.00 6.57 C ATOM 865 C PHE A 112 -16.362 13.657 262.040 1.00 6.04 C ATOM 866 O PHE A 112 -17.386 14.039 261.473 1.00 7.23 O ATOM 867 CB PHE A 112 -17.131 14.017 264.422 1.00 7.30 C ATOM 868 CG PHE A 112 -17.421 12.581 264.761 1.00 7.18 C ATOM 869 CD1 PHE A 112 -16.729 11.944 265.785 1.00 9.38 C ATOM 870 CD2 PHE A 112 -18.422 11.881 264.091 1.00 7.76 C ATOM 871 CE1 PHE A 112 -17.024 10.625 266.130 1.00 7.79 C ATOM 872 CE2 PHE A 112 -18.724 10.555 264.435 1.00 7.99 C ATOM 873 CZ PHE A 112 -18.024 9.934 265.451 1.00 7.97 C ATOM 0 H PHE A 112 -16.225 16.015 262.600 1.00 6.78 H new ATOM 0 HA PHE A 112 -15.221 13.769 263.755 1.00 6.57 H new ATOM 0 HB2 PHE A 112 -16.904 14.489 265.238 1.00 7.30 H new ATOM 0 HB3 PHE A 112 -17.940 14.424 264.075 1.00 7.30 H new ATOM 0 HD1 PHE A 112 -16.063 12.402 266.245 1.00 9.38 H new ATOM 0 HD2 PHE A 112 -18.896 12.298 263.408 1.00 7.76 H new ATOM 0 HE1 PHE A 112 -16.552 10.207 266.814 1.00 7.79 H new ATOM 0 HE2 PHE A 112 -19.393 10.096 263.981 1.00 7.99 H new ATOM 0 HZ PHE A 112 -18.221 9.055 265.681 1.00 7.97 H new ATOM 874 N ASP A 113 -15.526 12.767 261.509 1.00 6.96 N ATOM 875 CA ASP A 113 -15.768 12.227 260.178 1.00 7.57 C ATOM 876 C ASP A 113 -16.999 11.322 260.179 1.00 7.99 C ATOM 877 O ASP A 113 -17.252 10.589 261.142 1.00 8.68 O ATOM 878 CB ASP A 113 -14.547 11.440 259.693 1.00 9.99 C ATOM 879 CG ASP A 113 -13.449 12.330 259.139 1.00 16.30 C ATOM 880 OD1 ASP A 113 -13.480 13.548 259.374 1.00 12.91 O ATOM 881 OD2 ASP A 113 -12.548 11.798 258.455 1.00 24.66 O ATOM 0 H ASP A 113 -14.821 12.467 261.900 1.00 6.96 H new ATOM 0 HA ASP A 113 -15.927 12.970 259.575 1.00 7.57 H new ATOM 0 HB2 ASP A 113 -14.192 10.917 260.429 1.00 9.99 H new ATOM 0 HB3 ASP A 113 -14.824 10.812 259.007 1.00 9.99 H new ATOM 882 N HIS A 114 -17.768 11.372 259.092 1.00 8.64 N ATOM 883 CA HIS A 114 -18.965 10.540 259.008 1.00 6.39 C ATOM 884 C HIS A 114 -18.613 9.065 259.069 1.00 9.22 C ATOM 885 O HIS A 114 -17.743 8.586 258.329 1.00 12.25 O ATOM 886 CB HIS A 114 -19.727 10.827 257.715 1.00 7.13 C ATOM 887 CG HIS A 114 -20.225 12.229 257.616 1.00 8.23 C ATOM 888 ND1 HIS A 114 -21.009 12.807 258.592 1.00 8.97 N ATOM 889 CD2 HIS A 114 -20.051 13.172 256.662 1.00 9.58 C ATOM 890 CE1 HIS A 114 -21.292 14.051 258.244 1.00 7.68 C ATOM 891 NE2 HIS A 114 -20.726 14.294 257.073 1.00 9.89 N ATOM 0 H HIS A 114 -17.618 11.870 258.407 1.00 8.64 H new ATOM 0 HA HIS A 114 -19.527 10.758 259.768 1.00 6.39 H new ATOM 0 HB2 HIS A 114 -19.148 10.643 256.959 1.00 7.13 H new ATOM 0 HB3 HIS A 114 -20.480 10.219 257.650 1.00 7.13 H new ATOM 0 HD2 HIS A 114 -19.565 13.078 255.875 1.00 9.58 H new ATOM 0 HE1 HIS A 114 -21.802 14.652 258.738 1.00 7.68 H new ATOM 0 HE2 HIS A 114 -20.773 15.035 256.639 1.00 9.89 H new ATOM 892 N ARG A 115 -19.303 8.346 259.954 1.00 9.39 N ATOM 893 CA ARG A 115 -19.255 6.891 260.004 1.00 9.39 C ATOM 894 C ARG A 115 -20.493 6.250 259.403 1.00 11.45 C ATOM 895 O ARG A 115 -20.419 5.128 258.886 1.00 14.55 O ATOM 896 CB ARG A 115 -19.098 6.426 261.449 1.00 10.25 C ATOM 897 CG ARG A 115 -17.880 7.024 262.122 1.00 10.06 C ATOM 898 CD ARG A 115 -17.891 6.727 263.596 1.00 9.28 C ATOM 899 NE ARG A 115 -16.663 7.188 264.231 1.00 9.02 N ATOM 900 CZ ARG A 115 -16.386 7.002 265.515 1.00 8.39 C ATOM 901 NH1 ARG A 115 -17.244 6.361 266.304 1.00 10.00 N ATOM 902 NH2 ARG A 115 -15.244 7.460 266.014 1.00 10.87 N ATOM 0 H ARG A 115 -19.817 8.696 260.548 1.00 9.39 H new ATOM 0 HA ARG A 115 -18.491 6.612 259.475 1.00 9.39 H new ATOM 0 HB2 ARG A 115 -19.892 6.667 261.951 1.00 10.25 H new ATOM 0 HB3 ARG A 115 -19.032 5.458 261.469 1.00 10.25 H new ATOM 0 HG2 ARG A 115 -17.073 6.665 261.721 1.00 10.06 H new ATOM 0 HG3 ARG A 115 -17.864 7.983 261.980 1.00 10.06 H new ATOM 0 HD2 ARG A 115 -18.655 7.158 264.010 1.00 9.28 H new ATOM 0 HD3 ARG A 115 -17.993 5.773 263.736 1.00 9.28 H new ATOM 0 HE ARG A 115 -16.086 7.603 263.747 1.00 9.02 H new ATOM 0 HH11 ARG A 115 -17.984 6.064 265.983 1.00 10.00 H new ATOM 0 HH12 ARG A 115 -17.058 6.244 267.136 1.00 10.00 H new ATOM 0 HH21 ARG A 115 -14.688 7.875 265.505 1.00 10.87 H new ATOM 0 HH22 ARG A 115 -15.060 7.342 266.846 1.00 10.87 H new ATOM 903 N ILE A 116 -21.619 6.941 259.497 1.00 10.88 N ATOM 904 CA ILE A 116 -22.893 6.561 258.904 1.00 9.67 C ATOM 905 C ILE A 116 -23.351 7.765 258.102 1.00 11.40 C ATOM 906 O ILE A 116 -23.115 8.905 258.520 1.00 11.89 O ATOM 907 CB ILE A 116 -23.928 6.198 259.993 1.00 10.17 C ATOM 908 CG1 ILE A 116 -23.512 4.935 260.754 1.00 12.29 C ATOM 909 CG2 ILE A 116 -25.322 6.074 259.400 1.00 8.88 C ATOM 910 CD1 ILE A 116 -24.291 4.714 262.015 1.00 15.44 C ATOM 0 H ILE A 116 -21.664 7.682 259.930 1.00 10.88 H new ATOM 0 HA ILE A 116 -22.801 5.774 258.344 1.00 9.67 H new ATOM 0 HB ILE A 116 -23.954 6.922 260.638 1.00 10.17 H new ATOM 0 HG12 ILE A 116 -23.623 4.165 260.174 1.00 12.29 H new ATOM 0 HG13 ILE A 116 -22.568 4.993 260.971 1.00 12.29 H new ATOM 0 HG21 ILE A 116 -25.953 5.846 260.101 1.00 8.88 H new ATOM 0 HG22 ILE A 116 -25.578 6.918 258.996 1.00 8.88 H new ATOM 0 HG23 ILE A 116 -25.326 5.379 258.724 1.00 8.88 H new ATOM 0 HD11 ILE A 116 -23.982 3.903 262.448 1.00 15.44 H new ATOM 0 HD12 ILE A 116 -24.162 5.468 262.611 1.00 15.44 H new ATOM 0 HD13 ILE A 116 -25.233 4.628 261.802 1.00 15.44 H new ATOM 911 N LYS A 117 -23.975 7.529 256.946 1.00 10.18 N ATOM 912 CA LYS A 117 -24.409 8.653 256.128 1.00 10.55 C ATOM 913 C LYS A 117 -25.343 9.559 256.931 1.00 9.58 C ATOM 914 O LYS A 117 -26.208 9.065 257.669 1.00 9.02 O ATOM 915 CB LYS A 117 -25.103 8.174 254.850 1.00 13.52 C ATOM 916 CG LYS A 117 -26.289 7.245 255.052 1.00 15.04 C ATOM 917 CD LYS A 117 -26.857 6.811 253.695 1.00 17.34 C ATOM 918 CE LYS A 117 -28.006 5.848 253.871 1.00 23.06 C ATOM 919 NZ LYS A 117 -28.648 5.534 252.560 1.00 30.04 N ATOM 0 H LYS A 117 -24.151 6.749 256.628 1.00 10.18 H new ATOM 0 HA LYS A 117 -23.622 9.158 255.869 1.00 10.55 H new ATOM 0 HB2 LYS A 117 -25.403 8.952 254.354 1.00 13.52 H new ATOM 0 HB3 LYS A 117 -24.448 7.720 254.297 1.00 13.52 H new ATOM 0 HG2 LYS A 117 -26.015 6.465 255.560 1.00 15.04 H new ATOM 0 HG3 LYS A 117 -26.976 7.694 255.569 1.00 15.04 H new ATOM 0 HD2 LYS A 117 -27.157 7.591 253.202 1.00 17.34 H new ATOM 0 HD3 LYS A 117 -26.159 6.393 253.167 1.00 17.34 H new ATOM 0 HE2 LYS A 117 -27.686 5.030 254.282 1.00 23.06 H new ATOM 0 HE3 LYS A 117 -28.663 6.230 254.473 1.00 23.06 H new ATOM 0 HZ1 LYS A 117 -29.321 4.966 252.687 1.00 30.04 H new ATOM 0 HZ2 LYS A 117 -28.958 6.284 252.194 1.00 30.04 H new ATOM 0 HZ3 LYS A 117 -28.048 5.165 252.016 1.00 30.04 H new ATOM 920 N PRO A 118 -25.198 10.883 256.815 1.00 9.02 N ATOM 921 CA PRO A 118 -26.085 11.790 257.569 1.00 9.24 C ATOM 922 C PRO A 118 -27.543 11.607 257.226 1.00 8.82 C ATOM 923 O PRO A 118 -28.408 11.919 258.053 1.00 8.48 O ATOM 924 CB PRO A 118 -25.603 13.191 257.162 1.00 13.99 C ATOM 925 CG PRO A 118 -24.278 12.998 256.533 1.00 18.72 C ATOM 926 CD PRO A 118 -24.203 11.607 256.006 1.00 11.64 C ATOM 0 HA PRO A 118 -26.036 11.623 258.523 1.00 9.24 H new ATOM 0 HB2 PRO A 118 -26.224 13.606 256.543 1.00 13.99 H new ATOM 0 HB3 PRO A 118 -25.539 13.775 257.934 1.00 13.99 H new ATOM 0 HG2 PRO A 118 -24.149 13.638 255.815 1.00 18.72 H new ATOM 0 HG3 PRO A 118 -23.572 13.152 257.180 1.00 18.72 H new ATOM 0 HD2 PRO A 118 -24.416 11.571 255.060 1.00 11.64 H new ATOM 0 HD3 PRO A 118 -23.315 11.232 256.111 1.00 11.64 H new ATOM 927 N GLU A 119 -27.842 11.090 256.030 1.00 9.73 N ATOM 928 CA GLU A 119 -29.218 10.848 255.621 1.00 9.32 C ATOM 929 C GLU A 119 -29.907 9.794 256.473 1.00 10.82 C ATOM 930 O GLU A 119 -31.135 9.658 256.388 1.00 11.46 O ATOM 931 CB GLU A 119 -29.248 10.430 254.155 1.00 10.74 C ATOM 932 CG GLU A 119 -28.982 11.564 253.197 1.00 14.69 C ATOM 933 CD GLU A 119 -27.500 11.837 252.947 1.00 18.77 C ATOM 934 OE1 GLU A 119 -26.620 11.115 253.476 1.00 13.99 O ATOM 935 OE2 GLU A 119 -27.213 12.791 252.187 1.00 26.07 O ATOM 0 H GLU A 119 -27.254 10.873 255.441 1.00 9.73 H new ATOM 0 HA GLU A 119 -29.707 11.677 255.745 1.00 9.32 H new ATOM 0 HB2 GLU A 119 -28.588 9.734 254.012 1.00 10.74 H new ATOM 0 HB3 GLU A 119 -30.115 10.044 253.954 1.00 10.74 H new ATOM 0 HG2 GLU A 119 -29.412 11.366 252.350 1.00 14.69 H new ATOM 0 HG3 GLU A 119 -29.395 12.370 253.543 1.00 14.69 H new ATOM 936 N ALA A 120 -29.158 9.055 257.294 1.00 7.93 N ATOM 937 CA ALA A 120 -29.767 8.105 258.210 1.00 8.26 C ATOM 938 C ALA A 120 -30.400 8.768 259.426 1.00 7.82 C ATOM 939 O ALA A 120 -31.152 8.098 260.140 1.00 9.99 O ATOM 940 CB ALA A 120 -28.732 7.078 258.672 1.00 9.40 C ATOM 0 H ALA A 120 -28.300 9.092 257.332 1.00 7.93 H new ATOM 0 HA ALA A 120 -30.479 7.668 257.717 1.00 8.26 H new ATOM 0 HB1 ALA A 120 -29.149 6.450 259.282 1.00 9.40 H new ATOM 0 HB2 ALA A 120 -28.385 6.599 257.903 1.00 9.40 H new ATOM 0 HB3 ALA A 120 -28.004 7.533 259.124 1.00 9.40 H new ATOM 941 N VAL A 121 -30.117 10.050 259.680 1.00 6.37 N ATOM 942 CA VAL A 121 -30.638 10.718 260.867 1.00 6.89 C ATOM 943 C VAL A 121 -32.130 10.994 260.701 1.00 8.28 C ATOM 944 O VAL A 121 -32.584 11.473 259.654 1.00 8.67 O ATOM 945 CB VAL A 121 -29.859 12.015 261.142 1.00 5.84 C ATOM 946 CG1 VAL A 121 -30.550 12.849 262.231 1.00 8.03 C ATOM 947 CG2 VAL A 121 -28.419 11.701 261.559 1.00 6.10 C ATOM 0 H VAL A 121 -29.626 10.545 259.176 1.00 6.37 H new ATOM 0 HA VAL A 121 -30.521 10.135 261.633 1.00 6.89 H new ATOM 0 HB VAL A 121 -29.842 12.532 260.321 1.00 5.84 H new ATOM 0 HG11 VAL A 121 -30.043 13.661 262.388 1.00 8.03 H new ATOM 0 HG12 VAL A 121 -31.447 13.080 261.942 1.00 8.03 H new ATOM 0 HG13 VAL A 121 -30.598 12.334 263.052 1.00 8.03 H new ATOM 0 HG21 VAL A 121 -27.943 12.529 261.728 1.00 6.10 H new ATOM 0 HG22 VAL A 121 -28.426 11.162 262.365 1.00 6.10 H new ATOM 0 HG23 VAL A 121 -27.975 11.213 260.848 1.00 6.10 H new ATOM 948 N LYS A 122 -32.903 10.703 261.749 1.00 6.08 N ATOM 949 CA LYS A 122 -34.317 11.040 261.793 1.00 6.14 C ATOM 950 C LYS A 122 -34.697 11.894 262.992 1.00 6.57 C ATOM 951 O LYS A 122 -35.849 12.344 263.075 1.00 6.70 O ATOM 952 CB LYS A 122 -35.160 9.757 261.812 1.00 8.46 C ATOM 953 CG LYS A 122 -35.085 8.968 260.515 1.00 10.21 C ATOM 954 CD LYS A 122 -36.021 7.781 260.567 1.00 11.48 C ATOM 955 CE LYS A 122 -35.792 6.880 259.372 1.00 18.71 C ATOM 956 NZ LYS A 122 -36.580 5.623 259.489 1.00 27.07 N ATOM 0 H LYS A 122 -32.616 10.303 262.454 1.00 6.08 H new ATOM 0 HA LYS A 122 -34.496 11.563 260.996 1.00 6.14 H new ATOM 0 HB2 LYS A 122 -34.863 9.193 262.544 1.00 8.46 H new ATOM 0 HB3 LYS A 122 -36.085 9.988 261.989 1.00 8.46 H new ATOM 0 HG2 LYS A 122 -35.319 9.540 259.767 1.00 10.21 H new ATOM 0 HG3 LYS A 122 -34.176 8.664 260.366 1.00 10.21 H new ATOM 0 HD2 LYS A 122 -35.878 7.284 261.387 1.00 11.48 H new ATOM 0 HD3 LYS A 122 -36.941 8.087 260.578 1.00 11.48 H new ATOM 0 HE2 LYS A 122 -36.041 7.347 258.559 1.00 18.71 H new ATOM 0 HE3 LYS A 122 -34.848 6.668 259.299 1.00 18.71 H new ATOM 0 HZ1 LYS A 122 -36.123 4.951 259.125 1.00 27.07 H new ATOM 0 HZ2 LYS A 122 -36.733 5.447 260.348 1.00 27.07 H new ATOM 0 HZ3 LYS A 122 -37.356 5.718 259.064 1.00 27.07 H new ATOM 957 N MET A 123 -33.771 12.143 263.914 1.00 6.27 N ATOM 958 CA MET A 123 -34.123 12.815 265.156 1.00 6.17 C ATOM 959 C MET A 123 -32.861 13.397 265.771 1.00 6.31 C ATOM 960 O MET A 123 -31.788 12.808 265.661 1.00 6.78 O ATOM 961 CB MET A 123 -34.781 11.836 266.138 1.00 9.81 C ATOM 962 CG MET A 123 -35.177 12.441 267.449 1.00 9.02 C ATOM 963 SD MET A 123 -33.906 12.155 268.733 1.00 16.38 S ATOM 964 CE MET A 123 -34.318 10.502 269.353 1.00 11.88 C ATOM 0 H MET A 123 -32.941 11.932 263.839 1.00 6.27 H new ATOM 0 HA MET A 123 -34.759 13.523 264.967 1.00 6.17 H new ATOM 0 HB2 MET A 123 -35.569 11.457 265.719 1.00 9.81 H new ATOM 0 HB3 MET A 123 -34.168 11.103 266.305 1.00 9.81 H new ATOM 0 HG2 MET A 123 -35.317 13.394 267.337 1.00 9.02 H new ATOM 0 HG3 MET A 123 -36.022 12.063 267.739 1.00 9.02 H new ATOM 0 HE1 MET A 123 -33.701 10.259 270.061 1.00 11.88 H new ATOM 0 HE2 MET A 123 -35.224 10.503 269.700 1.00 11.88 H new ATOM 0 HE3 MET A 123 -34.249 9.859 268.630 1.00 11.88 H new ATOM 965 N VAL A 124 -33.002 14.548 266.427 1.00 7.01 N ATOM 966 CA VAL A 124 -31.931 15.156 267.216 1.00 5.57 C ATOM 967 C VAL A 124 -32.429 15.314 268.642 1.00 6.74 C ATOM 968 O VAL A 124 -33.547 15.798 268.851 1.00 7.33 O ATOM 969 CB VAL A 124 -31.518 16.526 266.650 1.00 5.75 C ATOM 970 CG1 VAL A 124 -30.472 17.195 267.554 1.00 6.50 C ATOM 971 CG2 VAL A 124 -30.995 16.368 265.235 1.00 7.64 C ATOM 0 H VAL A 124 -33.732 15.003 266.426 1.00 7.01 H new ATOM 0 HA VAL A 124 -31.148 14.584 267.185 1.00 5.57 H new ATOM 0 HB VAL A 124 -32.298 17.102 266.626 1.00 5.75 H new ATOM 0 HG11 VAL A 124 -30.225 18.056 267.181 1.00 6.50 H new ATOM 0 HG12 VAL A 124 -30.844 17.322 268.441 1.00 6.50 H new ATOM 0 HG13 VAL A 124 -29.685 16.630 267.612 1.00 6.50 H new ATOM 0 HG21 VAL A 124 -30.737 17.236 264.886 1.00 7.64 H new ATOM 0 HG22 VAL A 124 -30.224 15.779 265.239 1.00 7.64 H new ATOM 0 HG23 VAL A 124 -31.689 15.988 264.674 1.00 7.64 H new ATOM 972 N GLN A 125 -31.615 14.907 269.622 1.00 6.14 N ATOM 973 CA GLN A 125 -31.942 15.138 271.025 1.00 6.99 C ATOM 974 C GLN A 125 -30.847 15.965 271.683 1.00 7.17 C ATOM 975 O GLN A 125 -29.658 15.677 271.513 1.00 9.09 O ATOM 976 CB GLN A 125 -32.144 13.829 271.804 1.00 7.59 C ATOM 977 CG GLN A 125 -32.632 14.103 273.230 1.00 10.29 C ATOM 978 CD GLN A 125 -32.860 12.869 274.097 1.00 20.92 C ATOM 979 OE1 GLN A 125 -32.090 11.902 274.076 1.00 20.00 O ATOM 980 NE2 GLN A 125 -33.934 12.914 274.896 1.00 26.21 N ATOM 0 H GLN A 125 -30.871 14.496 269.491 1.00 6.14 H new ATOM 0 HA GLN A 125 -32.783 15.621 271.048 1.00 6.99 H new ATOM 0 HB2 GLN A 125 -32.788 13.270 271.341 1.00 7.59 H new ATOM 0 HB3 GLN A 125 -31.309 13.335 271.834 1.00 7.59 H new ATOM 0 HG2 GLN A 125 -31.984 14.674 273.672 1.00 10.29 H new ATOM 0 HG3 GLN A 125 -33.463 14.602 273.180 1.00 10.29 H new ATOM 0 HE21 GLN A 125 -34.449 13.603 274.886 1.00 26.21 H new ATOM 0 HE22 GLN A 125 -34.108 12.254 275.420 1.00 26.21 H new ATOM 981 N VAL A 126 -31.246 16.987 272.440 1.00 5.55 N ATOM 982 CA VAL A 126 -30.314 17.833 273.185 1.00 5.87 C ATOM 983 C VAL A 126 -30.680 17.709 274.658 1.00 7.40 C ATOM 984 O VAL A 126 -31.827 17.973 275.036 1.00 7.82 O ATOM 985 CB VAL A 126 -30.377 19.298 272.724 1.00 6.85 C ATOM 986 CG1 VAL A 126 -29.409 20.153 273.528 1.00 8.50 C ATOM 987 CG2 VAL A 126 -30.081 19.405 271.224 1.00 7.96 C ATOM 0 H VAL A 126 -32.071 17.210 272.536 1.00 5.55 H new ATOM 0 HA VAL A 126 -29.402 17.542 273.028 1.00 5.87 H new ATOM 0 HB VAL A 126 -31.275 19.630 272.879 1.00 6.85 H new ATOM 0 HG11 VAL A 126 -29.461 21.073 273.225 1.00 8.50 H new ATOM 0 HG12 VAL A 126 -29.642 20.109 274.468 1.00 8.50 H new ATOM 0 HG13 VAL A 126 -28.505 19.823 273.404 1.00 8.50 H new ATOM 0 HG21 VAL A 126 -30.125 20.335 270.951 1.00 7.96 H new ATOM 0 HG22 VAL A 126 -29.194 19.057 271.043 1.00 7.96 H new ATOM 0 HG23 VAL A 126 -30.737 18.891 270.727 1.00 7.96 H new ATOM 988 N TRP A 127 -29.728 17.305 275.489 1.00 5.27 N ATOM 989 CA TRP A 127 -30.106 17.039 276.873 1.00 5.07 C ATOM 990 C TRP A 127 -28.894 17.178 277.789 1.00 6.45 C ATOM 991 O TRP A 127 -27.831 17.665 277.383 1.00 6.94 O ATOM 992 CB TRP A 127 -30.791 15.669 276.979 1.00 7.10 C ATOM 993 CG TRP A 127 -29.963 14.455 276.630 1.00 6.89 C ATOM 994 CD1 TRP A 127 -29.359 14.173 275.424 1.00 7.41 C ATOM 995 CD2 TRP A 127 -29.697 13.337 277.482 1.00 6.84 C ATOM 996 NE1 TRP A 127 -28.724 12.950 275.492 1.00 8.03 N ATOM 997 CE2 TRP A 127 -28.922 12.416 276.740 1.00 6.77 C ATOM 998 CE3 TRP A 127 -30.035 13.024 278.807 1.00 6.50 C ATOM 999 CZ2 TRP A 127 -28.470 11.209 277.282 1.00 7.39 C ATOM 1000 CZ3 TRP A 127 -29.594 11.817 279.344 1.00 7.38 C ATOM 1001 CH2 TRP A 127 -28.817 10.927 278.581 1.00 8.15 C ATOM 0 H TRP A 127 -28.900 17.183 275.289 1.00 5.27 H new ATOM 0 HA TRP A 127 -30.753 17.698 277.170 1.00 5.07 H new ATOM 0 HB2 TRP A 127 -31.112 15.563 277.888 1.00 7.10 H new ATOM 0 HB3 TRP A 127 -31.571 15.677 276.402 1.00 7.10 H new ATOM 0 HD1 TRP A 127 -29.377 14.725 274.676 1.00 7.41 H new ATOM 0 HE1 TRP A 127 -28.277 12.582 274.856 1.00 8.03 H new ATOM 0 HE3 TRP A 127 -30.544 13.612 279.317 1.00 6.50 H new ATOM 0 HZ2 TRP A 127 -27.954 10.619 276.782 1.00 7.39 H new ATOM 0 HZ3 TRP A 127 -29.816 11.596 280.220 1.00 7.38 H new ATOM 0 HH2 TRP A 127 -28.532 10.129 278.965 1.00 8.15 H new ATOM 1002 N ARG A 128 -29.094 16.774 279.052 1.00 6.38 N ATOM 1003 CA ARG A 128 -28.216 16.971 280.208 1.00 7.38 C ATOM 1004 C ARG A 128 -28.350 18.387 280.760 1.00 7.35 C ATOM 1005 O ARG A 128 -29.449 18.953 280.732 1.00 7.93 O ATOM 1006 CB ARG A 128 -26.768 16.582 279.885 1.00 7.52 C ATOM 1007 CG ARG A 128 -26.716 15.176 279.278 1.00 9.49 C ATOM 1008 CD ARG A 128 -25.751 14.271 279.972 1.00 10.44 C ATOM 1009 NE ARG A 128 -25.491 13.012 279.266 1.00 10.02 N ATOM 1010 CZ ARG A 128 -25.688 11.809 279.801 1.00 8.83 C ATOM 1011 NH1 ARG A 128 -26.210 11.694 281.023 1.00 8.30 N ATOM 1012 NH2 ARG A 128 -25.379 10.713 279.115 1.00 7.61 N ATOM 0 H ARG A 128 -29.806 16.343 279.268 1.00 6.38 H new ATOM 0 HA ARG A 128 -28.501 16.372 280.916 1.00 7.38 H new ATOM 0 HB2 ARG A 128 -26.385 17.223 279.265 1.00 7.52 H new ATOM 0 HB3 ARG A 128 -26.231 16.612 280.692 1.00 7.52 H new ATOM 0 HG2 ARG A 128 -27.602 14.782 279.312 1.00 9.49 H new ATOM 0 HG3 ARG A 128 -26.472 15.243 278.342 1.00 9.49 H new ATOM 0 HD2 ARG A 128 -24.911 14.742 280.092 1.00 10.44 H new ATOM 0 HD3 ARG A 128 -26.092 14.069 280.857 1.00 10.44 H new ATOM 0 HE ARG A 128 -25.194 13.053 278.460 1.00 10.02 H new ATOM 0 HH11 ARG A 128 -26.421 12.399 281.469 1.00 8.30 H new ATOM 0 HH12 ARG A 128 -26.336 10.915 281.365 1.00 8.30 H new ATOM 0 HH21 ARG A 128 -25.051 10.780 278.323 1.00 7.61 H new ATOM 0 HH22 ARG A 128 -25.507 9.937 279.463 1.00 7.61 H new ATOM 1013 N ASP A 129 -27.279 18.954 281.310 1.00 6.95 N ATOM 1014 CA ASP A 129 -27.403 20.050 282.285 1.00 6.34 C ATOM 1015 C ASP A 129 -27.331 21.426 281.627 1.00 7.51 C ATOM 1016 O ASP A 129 -26.473 22.253 281.944 1.00 7.47 O ATOM 1017 CB ASP A 129 -26.328 19.913 283.356 1.00 6.27 C ATOM 1018 CG ASP A 129 -26.269 18.529 283.917 1.00 8.02 C ATOM 1019 OD1 ASP A 129 -27.282 18.108 284.515 1.00 9.30 O ATOM 1020 OD2 ASP A 129 -25.232 17.848 283.749 1.00 8.53 O ATOM 0 H ASP A 129 -26.469 18.723 281.136 1.00 6.95 H new ATOM 0 HA ASP A 129 -28.280 19.980 282.694 1.00 6.34 H new ATOM 0 HB2 ASP A 129 -25.465 20.145 282.978 1.00 6.27 H new ATOM 0 HB3 ASP A 129 -26.503 20.544 284.072 1.00 6.27 H new ATOM 1021 N ILE A 130 -28.276 21.682 280.720 1.00 7.38 N ATOM 1022 CA ILE A 130 -28.391 22.993 280.091 1.00 7.93 C ATOM 1023 C ILE A 130 -29.851 23.421 280.042 1.00 8.54 C ATOM 1024 O ILE A 130 -30.776 22.607 280.140 1.00 8.96 O ATOM 1025 CB ILE A 130 -27.804 23.034 278.659 1.00 7.98 C ATOM 1026 CG1 ILE A 130 -28.633 22.171 277.710 1.00 10.92 C ATOM 1027 CG2 ILE A 130 -26.321 22.593 278.648 1.00 9.10 C ATOM 1028 CD1 ILE A 130 -28.396 22.486 276.300 1.00 23.39 C ATOM 0 H ILE A 130 -28.859 21.108 280.457 1.00 7.38 H new ATOM 0 HA ILE A 130 -27.872 23.605 280.636 1.00 7.93 H new ATOM 0 HB ILE A 130 -27.842 23.952 278.348 1.00 7.98 H new ATOM 0 HG12 ILE A 130 -28.427 21.236 277.867 1.00 10.92 H new ATOM 0 HG13 ILE A 130 -29.575 22.291 277.910 1.00 10.92 H new ATOM 0 HG21 ILE A 130 -25.980 22.628 277.741 1.00 9.10 H new ATOM 0 HG22 ILE A 130 -25.802 23.188 279.212 1.00 9.10 H new ATOM 0 HG23 ILE A 130 -26.250 21.686 278.985 1.00 9.10 H new ATOM 0 HD11 ILE A 130 -28.945 21.912 275.743 1.00 23.39 H new ATOM 0 HD12 ILE A 130 -28.626 23.413 276.132 1.00 23.39 H new ATOM 0 HD13 ILE A 130 -27.460 22.342 276.089 1.00 23.39 H new ATOM 1029 N SER A 131 -30.036 24.728 279.886 1.00 8.83 N ATOM 1030 CA SER A 131 -31.272 25.305 279.382 1.00 9.65 C ATOM 1031 C SER A 131 -31.054 25.737 277.936 1.00 9.34 C ATOM 1032 O SER A 131 -29.927 25.997 277.510 1.00 10.26 O ATOM 1033 CB SER A 131 -31.714 26.492 280.243 1.00 12.04 C ATOM 1034 OG SER A 131 -30.691 27.468 280.328 1.00 13.94 O ATOM 0 H SER A 131 -29.434 25.313 280.074 1.00 8.83 H new ATOM 0 HA SER A 131 -31.978 24.641 279.422 1.00 9.65 H new ATOM 0 HB2 SER A 131 -32.514 26.890 279.865 1.00 12.04 H new ATOM 0 HB3 SER A 131 -31.944 26.182 281.133 1.00 12.04 H new ATOM 0 HG SER A 131 -30.637 27.750 281.117 1.00 13.94 H new ATOM 1035 N LEU A 132 -32.145 25.793 277.178 1.00 10.09 N ATOM 1036 CA LEU A 132 -32.105 26.063 275.748 1.00 10.81 C ATOM 1037 C LEU A 132 -32.958 27.285 275.442 1.00 12.05 C ATOM 1038 O LEU A 132 -34.084 27.397 275.942 1.00 14.73 O ATOM 1039 CB LEU A 132 -32.636 24.849 274.990 1.00 14.71 C ATOM 1040 CG LEU A 132 -31.922 24.249 273.798 1.00 30.09 C ATOM 1041 CD1 LEU A 132 -30.466 24.097 274.136 1.00 18.87 C ATOM 1042 CD2 LEU A 132 -32.561 22.892 273.548 1.00 18.35 C ATOM 0 H LEU A 132 -32.939 25.673 277.486 1.00 10.09 H new ATOM 0 HA LEU A 132 -31.192 26.236 275.470 1.00 10.81 H new ATOM 0 HB2 LEU A 132 -32.732 24.137 275.642 1.00 14.71 H new ATOM 0 HB3 LEU A 132 -33.529 25.080 274.689 1.00 14.71 H new ATOM 0 HG LEU A 132 -31.994 24.806 273.007 1.00 30.09 H new ATOM 0 HD11 LEU A 132 -29.996 23.713 273.379 1.00 18.87 H new ATOM 0 HD12 LEU A 132 -30.089 24.967 274.342 1.00 18.87 H new ATOM 0 HD13 LEU A 132 -30.371 23.513 274.905 1.00 18.87 H new ATOM 0 HD21 LEU A 132 -32.133 22.468 272.788 1.00 18.35 H new ATOM 0 HD22 LEU A 132 -32.452 22.333 274.334 1.00 18.35 H new ATOM 0 HD23 LEU A 132 -33.506 23.008 273.363 1.00 18.35 H new ATOM 1043 N THR A 133 -32.425 28.208 274.638 1.00 10.50 N ATOM 1044 CA THR A 133 -33.245 29.303 274.126 1.00 11.00 C ATOM 1045 C THR A 133 -33.478 29.250 272.626 1.00 12.57 C ATOM 1046 O THR A 133 -34.376 29.946 272.143 1.00 14.39 O ATOM 1047 CB THR A 133 -32.639 30.678 274.458 1.00 14.59 C ATOM 1048 OG1 THR A 133 -31.293 30.747 273.978 1.00 16.97 O ATOM 1049 CG2 THR A 133 -32.680 30.938 275.964 1.00 20.97 C ATOM 0 H THR A 133 -31.604 28.217 274.382 1.00 10.50 H new ATOM 0 HA THR A 133 -34.098 29.187 274.574 1.00 11.00 H new ATOM 0 HB THR A 133 -33.167 31.363 274.018 1.00 14.59 H new ATOM 0 HG1 THR A 133 -31.049 29.986 273.719 1.00 16.97 H new ATOM 0 HG21 THR A 133 -32.294 31.808 276.153 1.00 20.97 H new ATOM 0 HG22 THR A 133 -33.600 30.919 276.271 1.00 20.97 H new ATOM 0 HG23 THR A 133 -32.172 30.252 276.425 1.00 20.97 H new ATOM 1050 N LYS A 134 -32.706 28.464 271.879 1.00 9.56 N ATOM 1051 CA LYS A 134 -32.923 28.370 270.443 1.00 10.29 C ATOM 1052 C LYS A 134 -32.434 27.028 269.930 1.00 10.28 C ATOM 1053 O LYS A 134 -31.373 26.552 270.339 1.00 9.59 O ATOM 1054 CB LYS A 134 -32.215 29.502 269.685 1.00 13.31 C ATOM 1055 CG LYS A 134 -32.407 29.418 268.165 1.00 21.23 C ATOM 1056 CD LYS A 134 -31.460 30.333 267.410 1.00 26.37 C ATOM 1057 CE LYS A 134 -31.711 30.256 265.906 1.00 32.37 C ATOM 1058 NZ LYS A 134 -33.061 30.765 265.545 1.00 35.30 N ATOM 0 H LYS A 134 -32.060 27.984 272.182 1.00 9.56 H new ATOM 0 HA LYS A 134 -33.876 28.454 270.285 1.00 10.29 H new ATOM 0 HB2 LYS A 134 -32.550 30.355 270.002 1.00 13.31 H new ATOM 0 HB3 LYS A 134 -31.267 29.477 269.888 1.00 13.31 H new ATOM 0 HG2 LYS A 134 -32.269 28.503 267.874 1.00 21.23 H new ATOM 0 HG3 LYS A 134 -33.322 29.651 267.944 1.00 21.23 H new ATOM 0 HD2 LYS A 134 -31.576 31.247 267.715 1.00 26.37 H new ATOM 0 HD3 LYS A 134 -30.542 30.084 267.602 1.00 26.37 H new ATOM 0 HE2 LYS A 134 -31.035 30.771 265.438 1.00 32.37 H new ATOM 0 HE3 LYS A 134 -31.622 29.337 265.610 1.00 32.37 H new ATOM 0 HZ1 LYS A 134 -33.094 30.925 264.670 1.00 35.30 H new ATOM 0 HZ2 LYS A 134 -33.675 30.157 265.758 1.00 35.30 H new ATOM 0 HZ3 LYS A 134 -33.223 31.518 265.990 1.00 35.30 H new ATOM 1059 N PHE A 135 -33.221 26.428 269.033 1.00 9.01 N ATOM 1060 CA PHE A 135 -32.814 25.227 268.318 1.00 7.42 C ATOM 1061 C PHE A 135 -33.324 25.330 266.892 1.00 8.38 C ATOM 1062 O PHE A 135 -34.513 25.594 266.678 1.00 10.37 O ATOM 1063 CB PHE A 135 -33.355 23.953 268.986 1.00 9.35 C ATOM 1064 CG PHE A 135 -32.963 22.681 268.273 1.00 8.71 C ATOM 1065 CD1 PHE A 135 -33.702 22.213 267.198 1.00 8.70 C ATOM 1066 CD2 PHE A 135 -31.840 21.965 268.678 1.00 9.38 C ATOM 1067 CE1 PHE A 135 -33.328 21.051 266.531 1.00 10.38 C ATOM 1068 CE2 PHE A 135 -31.458 20.797 268.014 1.00 9.79 C ATOM 1069 CZ PHE A 135 -32.205 20.342 266.943 1.00 9.08 C ATOM 0 H PHE A 135 -34.006 26.710 268.825 1.00 9.01 H new ATOM 0 HA PHE A 135 -31.846 25.163 268.332 1.00 7.42 H new ATOM 0 HB2 PHE A 135 -33.033 23.915 269.900 1.00 9.35 H new ATOM 0 HB3 PHE A 135 -34.323 24.006 269.029 1.00 9.35 H new ATOM 0 HD1 PHE A 135 -34.456 22.681 266.920 1.00 8.70 H new ATOM 0 HD2 PHE A 135 -31.338 22.268 269.400 1.00 9.38 H new ATOM 0 HE1 PHE A 135 -33.830 20.748 265.809 1.00 10.38 H new ATOM 0 HE2 PHE A 135 -30.705 20.327 268.291 1.00 9.79 H new ATOM 0 HZ PHE A 135 -31.957 19.563 266.499 1.00 9.08 H new ATOM 1070 N ASN A 136 -32.432 25.121 265.922 1.00 6.90 N ATOM 1071 CA ASN A 136 -32.832 25.160 264.523 1.00 7.47 C ATOM 1072 C ASN A 136 -32.036 24.147 263.713 1.00 9.02 C ATOM 1073 O ASN A 136 -30.826 24.003 263.901 1.00 9.64 O ATOM 1074 CB ASN A 136 -32.631 26.549 263.918 1.00 9.41 C ATOM 1075 CG ASN A 136 -32.958 26.574 262.440 1.00 8.77 C ATOM 1076 OD1 ASN A 136 -32.075 26.440 261.584 1.00 9.50 O ATOM 1077 ND2 ASN A 136 -34.247 26.698 262.124 1.00 11.21 N ATOM 0 H ASN A 136 -31.598 24.957 266.055 1.00 6.90 H new ATOM 0 HA ASN A 136 -33.776 24.940 264.489 1.00 7.47 H new ATOM 0 HB2 ASN A 136 -33.192 27.189 264.384 1.00 9.41 H new ATOM 0 HB3 ASN A 136 -31.712 26.829 264.050 1.00 9.41 H new ATOM 0 HD21 ASN A 136 -34.491 26.686 261.299 1.00 11.21 H new ATOM 0 HD22 ASN A 136 -34.835 26.790 262.745 1.00 11.21 H new ATOM 1078 N VAL A 137 -32.727 23.452 262.811 1.00 6.32 N ATOM 1079 CA VAL A 137 -32.105 22.664 261.753 1.00 8.15 C ATOM 1080 C VAL A 137 -32.416 23.361 260.440 1.00 9.03 C ATOM 1081 O VAL A 137 -33.584 23.653 260.156 1.00 10.12 O ATOM 1082 CB VAL A 137 -32.621 21.215 261.741 1.00 7.33 C ATOM 1083 CG1 VAL A 137 -31.998 20.433 260.572 1.00 9.33 C ATOM 1084 CG2 VAL A 137 -32.331 20.517 263.060 1.00 9.32 C ATOM 0 H VAL A 137 -33.587 23.426 262.798 1.00 6.32 H new ATOM 0 HA VAL A 137 -31.148 22.607 261.899 1.00 8.15 H new ATOM 0 HB VAL A 137 -33.583 21.241 261.622 1.00 7.33 H new ATOM 0 HG11 VAL A 137 -32.332 19.522 260.577 1.00 9.33 H new ATOM 0 HG12 VAL A 137 -32.236 20.860 259.734 1.00 9.33 H new ATOM 0 HG13 VAL A 137 -31.033 20.423 260.667 1.00 9.33 H new ATOM 0 HG21 VAL A 137 -32.666 19.607 263.025 1.00 9.32 H new ATOM 0 HG22 VAL A 137 -31.374 20.503 263.215 1.00 9.32 H new ATOM 0 HG23 VAL A 137 -32.768 20.995 263.782 1.00 9.32 H new ATOM 1085 N SER A 138 -31.382 23.648 259.651 1.00 7.01 N ATOM 1086 CA SER A 138 -31.602 24.323 258.382 1.00 8.77 C ATOM 1087 C SER A 138 -32.004 23.317 257.309 1.00 11.79 C ATOM 1088 O SER A 138 -31.560 22.159 257.303 1.00 11.36 O ATOM 1089 CB SER A 138 -30.354 25.093 257.952 1.00 10.79 C ATOM 1090 OG SER A 138 -29.324 24.199 257.564 1.00 12.17 O ATOM 0 H SER A 138 -30.561 23.463 259.830 1.00 7.01 H new ATOM 0 HA SER A 138 -32.325 24.959 258.497 1.00 8.77 H new ATOM 0 HB2 SER A 138 -30.571 25.684 257.214 1.00 10.79 H new ATOM 0 HB3 SER A 138 -30.046 25.652 258.682 1.00 10.79 H new ATOM 0 HG SER A 138 -29.337 24.102 256.730 1.00 12.17 H new ATOM 1091 N TYR A 139 -32.864 23.775 256.399 1.00 10.92 N ATOM 1092 CA TYR A 139 -33.427 22.946 255.336 1.00 10.94 C ATOM 1093 C TYR A 139 -33.411 23.694 254.020 1.00 15.22 C ATOM 1094 O TYR A 139 -34.352 23.601 253.226 1.00 15.90 O ATOM 1095 CB TYR A 139 -34.857 22.519 255.668 1.00 10.19 C ATOM 1096 CG TYR A 139 -34.963 21.533 256.805 1.00 10.75 C ATOM 1097 CD1 TYR A 139 -34.788 20.175 256.586 1.00 9.74 C ATOM 1098 CD2 TYR A 139 -35.259 21.963 258.095 1.00 9.86 C ATOM 1099 CE1 TYR A 139 -34.895 19.264 257.627 1.00 11.32 C ATOM 1100 CE2 TYR A 139 -35.361 21.062 259.146 1.00 9.65 C ATOM 1101 CZ TYR A 139 -35.171 19.716 258.898 1.00 10.37 C ATOM 1102 OH TYR A 139 -35.272 18.818 259.922 1.00 10.80 O ATOM 0 H TYR A 139 -33.140 24.589 256.383 1.00 10.92 H new ATOM 0 HA TYR A 139 -32.878 22.150 255.259 1.00 10.94 H new ATOM 0 HB2 TYR A 139 -35.376 23.308 255.889 1.00 10.19 H new ATOM 0 HB3 TYR A 139 -35.259 22.128 254.876 1.00 10.19 H new ATOM 0 HD1 TYR A 139 -34.596 19.870 255.729 1.00 9.74 H new ATOM 0 HD2 TYR A 139 -35.391 22.869 258.256 1.00 9.86 H new ATOM 0 HE1 TYR A 139 -34.781 18.355 257.468 1.00 11.32 H new ATOM 0 HE2 TYR A 139 -35.555 21.360 260.005 1.00 9.65 H new ATOM 0 HH TYR A 139 -35.300 19.229 260.654 1.00 10.80 H new ATOM 1103 N LEU A 140 -32.339 24.442 253.759 1.00 13.65 N ATOM 1104 CA LEU A 140 -32.313 25.329 252.604 1.00 13.25 C ATOM 1105 C LEU A 140 -31.723 24.692 251.351 1.00 14.86 C ATOM 1106 O LEU A 140 -31.891 25.246 250.258 1.00 13.02 O ATOM 1107 CB LEU A 140 -31.531 26.607 252.947 1.00 15.16 C ATOM 1108 CG LEU A 140 -32.109 27.424 254.109 1.00 16.29 C ATOM 1109 CD1 LEU A 140 -31.353 28.724 254.282 1.00 18.35 C ATOM 1110 CD2 LEU A 140 -33.604 27.688 253.920 1.00 14.63 C ATOM 0 H LEU A 140 -31.623 24.449 254.236 1.00 13.65 H new ATOM 0 HA LEU A 140 -33.239 25.535 252.399 1.00 13.25 H new ATOM 0 HB2 LEU A 140 -30.617 26.363 253.163 1.00 15.16 H new ATOM 0 HB3 LEU A 140 -31.496 27.171 252.158 1.00 15.16 H new ATOM 0 HG LEU A 140 -32.003 26.898 254.917 1.00 16.29 H new ATOM 0 HD11 LEU A 140 -31.734 29.224 255.021 1.00 18.35 H new ATOM 0 HD12 LEU A 140 -30.420 28.534 254.468 1.00 18.35 H new ATOM 0 HD13 LEU A 140 -31.420 29.248 253.469 1.00 18.35 H new ATOM 0 HD21 LEU A 140 -33.939 28.205 254.669 1.00 14.63 H new ATOM 0 HD22 LEU A 140 -33.744 28.183 253.098 1.00 14.63 H new ATOM 0 HD23 LEU A 140 -34.079 26.843 253.873 1.00 14.63 H new ATOM 1111 N LYS A 141 -31.045 23.556 251.455 1.00 16.05 N ATOM 1112 CA LYS A 141 -30.345 23.012 250.298 1.00 19.78 C ATOM 1113 C LYS A 141 -31.011 21.740 249.790 1.00 24.18 C ATOM 1114 O LYS A 141 -31.685 21.025 250.536 1.00 21.62 O ATOM 1115 CB LYS A 141 -28.872 22.762 250.624 1.00 24.66 C ATOM 1116 CG LYS A 141 -28.028 24.030 250.478 1.00 27.00 C ATOM 1117 CD LYS A 141 -26.738 23.947 251.260 1.00 30.21 C ATOM 1118 CE LYS A 141 -26.183 25.334 251.539 1.00 35.63 C ATOM 1119 NZ LYS A 141 -25.326 25.351 252.760 1.00 35.64 N ATOM 0 H LYS A 141 -30.978 23.090 252.175 1.00 16.05 H new ATOM 0 HA LYS A 141 -30.393 23.671 249.588 1.00 19.78 H new ATOM 0 HB2 LYS A 141 -28.795 22.426 251.531 1.00 24.66 H new ATOM 0 HB3 LYS A 141 -28.524 22.074 250.036 1.00 24.66 H new ATOM 0 HG2 LYS A 141 -27.828 24.178 249.540 1.00 27.00 H new ATOM 0 HG3 LYS A 141 -28.541 24.795 250.782 1.00 27.00 H new ATOM 0 HD2 LYS A 141 -26.892 23.482 252.097 1.00 30.21 H new ATOM 0 HD3 LYS A 141 -26.087 23.428 250.763 1.00 30.21 H new ATOM 0 HE2 LYS A 141 -25.665 25.635 250.776 1.00 35.63 H new ATOM 0 HE3 LYS A 141 -26.916 25.960 251.649 1.00 35.63 H new ATOM 0 HZ1 LYS A 141 -25.256 26.185 253.062 1.00 35.64 H new ATOM 0 HZ2 LYS A 141 -25.693 24.838 253.388 1.00 35.64 H new ATOM 0 HZ3 LYS A 141 -24.517 25.040 252.559 1.00 35.64 H new ATOM 1120 N ARG A 142 -30.823 21.474 248.498 1.00 23.15 N ATOM 1121 CA ARG A 142 -31.428 20.313 247.843 1.00 30.56 C ATOM 1122 C ARG A 142 -30.903 18.997 248.410 1.00 44.60 C ATOM 1123 O ARG A 142 -31.668 18.198 248.964 1.00 39.87 O ATOM 1124 CB ARG A 142 -31.177 20.364 246.334 1.00 31.68 C ATOM 1125 OXT ARG A 142 -29.704 18.710 248.331 1.00 51.29 O ATOM 0 H ARG A 142 -30.342 21.960 247.977 1.00 23.15 H new ATOM 0 HA ARG A 142 -32.382 20.350 248.016 1.00 30.56 H new TER 1126 ARG A 142 HETATM 1127 O HOH A 201 -24.310 25.860 254.742 1.00 38.37 O HETATM 1128 O HOH A 202 -35.759 26.295 282.056 1.00 36.27 O HETATM 1129 O HOH A 203 -25.470 14.372 251.912 1.00 24.68 O HETATM 1130 O HOH A 204 -34.604 25.122 278.364 1.00 15.58 O HETATM 1131 O HOH A 205 -29.579 30.410 276.302 1.00 27.95 O HETATM 1132 O HOH A 206 -20.803 0.903 260.575 1.00 34.51 O HETATM 1133 O HOH A 207 -15.646 22.744 284.694 1.00 40.83 O HETATM 1134 O HOH A 208 -26.397 25.456 256.304 1.00 31.53 O HETATM 1135 O HOH A 209 -39.855 22.330 269.200 1.00 28.51 O HETATM 1136 O HOH A 210 -22.838 11.061 259.817 1.00 10.00 O HETATM 1137 O HOH A 211 -31.455 19.520 256.806 1.00 10.86 O HETATM 1138 O HOH A 212 -31.853 10.438 276.162 1.00 22.31 O HETATM 1139 O HOH A 213 -18.512 11.161 279.921 1.00 33.01 O HETATM 1140 O HOH A 214 -36.889 7.972 279.119 1.00 22.22 O HETATM 1141 O HOH A 215 -35.105 25.572 259.354 1.00 11.31 O HETATM 1142 O HOH A 216 -32.761 3.162 261.115 1.00 29.25 O HETATM 1143 O HOH A 217 -32.161 20.837 253.064 1.00 21.55 O HETATM 1144 O HOH A 218 -25.633 28.495 262.904 1.00 17.73 O HETATM 1145 O HOH A 219 -30.309 26.947 249.105 1.00 26.71 O HETATM 1146 O HOH A 220 -38.237 10.259 271.309 1.00 29.22 O HETATM 1147 O HOH A 221 -30.723 28.501 282.730 1.00 23.81 O HETATM 1148 O HOH A 222 -33.782 17.463 247.602 1.00 20.05 O HETATM 1149 O HOH A 223 -16.551 8.095 277.803 1.00 24.71 O HETATM 1150 O HOH A 224 -18.047 -3.726 264.068 1.00 30.94 O HETATM 1151 O HOH A 225 -10.914 13.055 256.824 1.00 26.91 O HETATM 1152 O HOH A 226 -37.348 15.040 274.672 1.00 27.65 O HETATM 1153 O HOH A 227 -24.332 10.671 252.259 1.00 21.94 O HETATM 1154 O HOH A 228 -35.654 19.453 262.447 1.00 11.42 O HETATM 1155 O HOH A 229 -16.892 27.352 288.398 1.00 15.35 O HETATM 1156 O HOH A 230 -15.817 24.968 257.112 1.00 12.38 O HETATM 1157 O HOH A 231 -12.309 13.900 264.363 1.00 20.48 O HETATM 1158 O HOH A 232 -32.312 5.759 259.769 1.00 20.22 O HETATM 1159 O HOH A 233 -10.721 26.585 272.508 1.00 29.77 O HETATM 1160 O HOH A 234 -40.859 25.851 274.350 1.00 33.88 O HETATM 1161 O HOH A 235 -36.091 31.379 273.560 1.00 35.69 O HETATM 1162 O HOH A 236 -29.994 10.582 273.035 1.00 13.01 O HETATM 1163 O HOH A 237 -15.472 9.477 262.761 1.00 10.57 O HETATM 1164 O HOH A 238 -29.439 26.131 261.730 1.00 9.04 O HETATM 1165 O HOH A 239 -22.534 14.796 254.044 1.00 18.77 O HETATM 1166 O HOH A 240 -15.378 7.408 258.658 1.00 24.00 O HETATM 1167 O HOH A 241 -38.481 6.686 263.767 1.00 15.14 O HETATM 1168 O HOH A 242 -21.845 26.578 260.975 1.00 25.41 O HETATM 1169 O HOH A 243 -14.461 32.484 263.505 1.00 24.15 O HETATM 1170 O HOH A 244 -14.317 30.097 286.343 1.00 34.23 O HETATM 1171 O HOH A 245 -21.860 15.334 249.977 1.00 27.75 O HETATM 1172 O HOH A 246 -31.523 2.411 263.115 1.00 19.14 O HETATM 1173 O HOH A 247 -14.806 19.904 289.557 1.00 29.26 O HETATM 1174 O HOH A 248 -17.920 31.628 262.519 1.00 20.78 O HETATM 1175 O HOH A 249 -29.475 25.991 287.561 1.00 27.46 O HETATM 1176 O HOH A 250 -12.827 14.893 261.689 1.00 11.93 O HETATM 1177 O HOH A 251 -39.094 5.222 266.209 1.00 22.22 O HETATM 1178 O HOH A 252 -15.210 30.152 271.010 1.00 22.64 O HETATM 1179 O HOH A 253 -15.023 20.758 291.690 1.00 19.48 O HETATM 1180 O HOH A 254 -27.539 18.414 250.345 1.00 29.59 O HETATM 1181 O HOH A 255 -30.981 29.326 278.384 1.00 18.78 O HETATM 1182 O HOH A 256 -18.979 -0.992 272.616 1.00 30.80 O HETATM 1183 O HOH A 257 -9.722 11.361 280.247 1.00 38.67 O HETATM 1184 O HOH A 258 -20.710 28.326 278.418 1.00 16.89 O HETATM 1185 O HOH A 259 -29.483 17.022 283.345 0.50 16.79 O HETATM 1186 O HOH A 260 -31.803 18.254 281.927 1.00 12.68 O HETATM 1187 O HOH A 261 -13.256 27.436 279.769 1.00 21.01 O HETATM 1188 O HOH A 262 -16.345 2.388 272.976 1.00 33.58 O HETATM 1189 O HOH A 263 -33.114 22.656 281.555 1.00 12.47 O HETATM 1190 O HOH A 264 -14.978 11.261 255.838 1.00 24.29 O HETATM 1191 O HOH A 265 -29.658 24.068 254.853 1.00 15.81 O HETATM 1192 O HOH A 266 -34.838 11.893 258.020 1.00 14.93 O HETATM 1193 O HOH A 267 -20.456 24.330 261.885 1.00 28.22 O HETATM 1194 O HOH A 268 -13.383 8.081 278.584 1.00 31.82 O HETATM 1195 O HOH A 269 -9.983 20.802 278.953 1.00 22.97 O HETATM 1196 O HOH A 270 -38.413 16.988 278.081 1.00 24.62 O HETATM 1197 O HOH A 271 -20.067 17.459 290.181 1.00 11.78 O HETATM 1198 O HOH A 272 -12.904 29.179 263.484 1.00 12.54 O HETATM 1199 O HOH A 273 -30.197 34.658 274.907 1.00 38.91 O HETATM 1200 O HOH A 274 -21.707 27.541 283.726 1.00 12.92 O HETATM 1201 O HOH A 275 -33.021 11.428 255.411 1.00 16.40 O HETATM 1202 O HOH A 276 -31.055 12.687 257.688 1.00 8.67 O HETATM 1203 O HOH A 277 -21.470 9.364 261.547 1.00 9.48 O HETATM 1204 O HOH A 278 -18.271 14.455 286.617 1.00 30.96 O HETATM 1205 O HOH A 279 -11.488 15.327 258.624 1.00 13.92 O HETATM 1206 O HOH A 280 -38.226 8.437 275.499 1.00 31.15 O HETATM 1207 O HOH A 281 -17.276 18.669 290.183 1.00 21.18 O HETATM 1208 O HOH A 282 -16.049 30.812 273.419 1.00 18.04 O HETATM 1209 O HOH A 283 -12.792 7.648 264.688 1.00 20.52 O HETATM 1210 O HOH A 284 -17.770 3.086 263.280 1.00 23.17 O HETATM 1211 O HOH A 285 -24.647 30.512 264.414 1.00 27.32 O HETATM 1212 O HOH A 286 -39.941 19.023 268.497 1.00 15.38 O HETATM 1213 O HOH A 287 -10.140 7.837 268.594 1.00 26.33 O HETATM 1214 O HOH A 288 -24.507 0.194 274.415 1.00 20.02 O HETATM 1215 O HOH A 289 -28.668 1.936 269.716 1.00 8.97 O HETATM 1216 O HOH A 290 -20.042 30.156 286.895 1.00 23.43 O HETATM 1217 O HOH A 291 -38.306 2.371 264.178 1.00 46.87 O HETATM 1218 O HOH A 292 -10.985 25.570 268.789 1.00 19.84 O HETATM 1219 O HOH A 293 -38.275 11.735 261.785 1.00 13.20 O HETATM 1220 O HOH A 294 -32.309 27.656 259.052 1.00 18.10 O HETATM 1221 O HOH A 295 -25.406 21.166 249.852 1.00 34.41 O HETATM 1222 O HOH A 296 -22.231 -2.873 266.098 1.00 26.93 O HETATM 1223 O HOH A 297 -29.329 19.227 286.101 1.00 9.05 O HETATM 1224 O HOH A 298 -16.333 33.050 282.419 1.00 22.65 O HETATM 1225 O HOH A 299 -33.844 19.996 282.120 1.00 14.80 O HETATM 1226 O HOH A 300 -17.873 14.309 278.270 1.00 21.15 O HETATM 1227 O HOH A 301 -21.027 28.972 266.936 1.00 12.91 O HETATM 1228 O HOH A 302 -24.226 28.961 283.497 1.00 22.50 O HETATM 1229 O HOH A 303 -20.465 13.063 251.149 1.00 36.90 O HETATM 1230 O HOH A 304 -29.305 13.623 250.440 1.00 31.56 O HETATM 1231 O HOH A 305 -29.078 22.829 246.685 1.00 27.97 O HETATM 1232 O HOH A 306 -38.264 18.824 280.976 1.00 31.74 O HETATM 1233 O HOH A 307 -38.054 7.173 272.974 1.00 19.26 O HETATM 1234 O HOH A 308 -31.311 6.327 253.258 1.00 40.58 O HETATM 1235 O HOH A 309 -21.397 2.432 258.995 1.00 31.08 O HETATM 1236 O HOH A 310 -28.280 28.642 284.007 1.00 25.20 O HETATM 1237 O HOH A 311 -23.128 26.690 258.783 1.00 30.41 O HETATM 1238 O HOH A 312 -35.637 23.625 263.132 1.00 11.46 O HETATM 1239 O HOH A 313 -23.506 34.796 278.687 1.00 24.15 O HETATM 1240 O HOH A 314 -31.721 13.633 254.591 1.00 17.13 O HETATM 1241 O HOH A 315 -13.779 3.842 272.534 1.00 22.68 O HETATM 1242 O HOH A 316 -15.759 33.848 267.190 1.00 35.77 O HETATM 1243 O HOH A 317 -14.230 29.232 281.664 1.00 19.48 O HETATM 1244 O HOH A 318 -38.881 17.636 273.253 1.00 23.37 O HETATM 1245 O HOH A 319 -34.368 10.876 276.921 1.00 27.40 O HETATM 1246 O HOH A 320 -17.996 7.440 273.817 1.00 19.11 O HETATM 1247 O HOH A 321 -23.886 -4.763 267.448 1.00 15.63 O HETATM 1248 O HOH A 322 -31.574 1.925 265.827 1.00 14.31 O HETATM 1249 O HOH A 323 -30.175 -0.548 267.015 1.00 28.93 O HETATM 1250 O HOH A 324 -10.443 28.901 272.293 1.00 34.75 O HETATM 1251 O HOH A 325 -34.561 26.114 256.808 1.00 12.87 O HETATM 1252 O HOH A 326 -9.241 10.556 271.053 1.00 21.24 O HETATM 1253 O HOH A 327 -22.390 33.301 271.889 1.00 33.75 O HETATM 1254 O HOH A 328 -19.025 25.327 259.438 1.00 31.35 O HETATM 1255 O HOH A 329 -12.662 16.955 267.040 1.00 13.07 O HETATM 1256 O HOH A 330 -26.076 15.055 283.345 0.50 10.30 O HETATM 1257 O HOH A 331 -31.691 -0.380 270.968 1.00 30.62 O HETATM 1258 O HOH A 332 -21.538 -0.341 273.876 1.00 13.93 O HETATM 1259 O HOH A 333 -7.561 10.858 274.939 1.00 33.74 O HETATM 1260 O HOH A 334 -25.346 -4.113 270.828 1.00 27.17 O HETATM 1261 O HOH A 335 -7.545 11.770 272.318 1.00 29.37 O HETATM 1262 O HOH A 336 -15.794 17.778 254.501 1.00 28.85 O HETATM 1263 O HOH A 337 -35.864 27.748 268.523 1.00 12.50 O HETATM 1264 O HOH A 338 -10.498 8.341 274.658 1.00 27.91 O HETATM 1265 O HOH A 339 -37.548 21.528 280.629 1.00 29.86 O HETATM 1266 O HOH A 340 -31.476 33.604 273.023 1.00 36.72 O HETATM 1267 O HOH A 341 -13.432 11.457 263.258 1.00 12.16 O HETATM 1268 O HOH A 342 -21.572 21.961 253.971 1.00 28.68 O HETATM 1269 O HOH A 343 -10.924 27.764 278.272 1.00 33.10 O HETATM 1270 O HOH A 344 -28.000 26.216 253.975 1.00 27.34 O HETATM 1271 O HOH A 345 -37.417 4.336 276.830 1.00 32.63 O HETATM 1272 O HOH A 346 -19.498 29.903 276.209 1.00 17.90 O HETATM 1273 O HOH A 347 -9.712 8.328 272.312 1.00 30.53 O HETATM 1274 O HOH A 348 -23.029 22.631 256.145 1.00 30.25 O HETATM 1275 O HOH A 349 -15.340 3.579 265.159 1.00 22.16 O HETATM 1276 O HOH A 350 -34.463 30.882 262.624 1.00 30.09 O HETATM 1277 O HOH A 351 -21.970 12.550 253.105 1.00 29.70 O HETATM 1278 O HOH A 352 -8.761 26.200 269.157 1.00 25.34 O HETATM 1279 O HOH A 353 -29.693 21.563 253.937 1.00 19.17 O HETATM 1280 O HOH A 354 -27.978 -2.273 273.151 1.00 27.39 O HETATM 1281 O HOH A 355 -35.525 23.275 280.328 1.00 27.27 O HETATM 1282 O HOH A 356 -22.556 8.518 277.732 1.00 21.15 O HETATM 1283 O HOH A 357 -19.161 -1.930 268.393 1.00 35.32 O HETATM 1284 O HOH A 358 -34.809 2.006 266.920 1.00 33.97 O HETATM 1285 O HOH A 359 -32.438 30.010 262.248 1.00 26.70 O HETATM 1286 O HOH A 360 -28.987 8.589 251.016 1.00 29.47 O HETATM 1287 O HOH A 361 -18.762 9.101 277.780 1.00 25.80 O HETATM 1288 O HOH A 362 -36.838 10.968 274.707 1.00 30.52 O HETATM 1289 O HOH A 363 -27.832 28.499 286.865 1.00 32.01 O HETATM 1290 O HOH A 364 -32.204 18.261 254.445 1.00 22.20 O HETATM 1291 O HOH A 365 -13.127 23.383 285.411 1.00 32.00 O HETATM 1292 O HOH A 366 -29.947 2.323 253.482 1.00 34.45 O HETATM 1293 O HOH A 367 -40.628 14.913 269.469 1.00 31.13 O HETATM 1294 O HOH A 368 -20.629 7.717 255.619 1.00 33.01 O HETATM 1295 O HOH A 369 -10.166 23.413 280.147 1.00 25.95 O HETATM 1296 O HOH A 370 -13.517 4.912 263.917 1.00 26.04 O HETATM 1297 O HOH A 371 -23.177 22.776 251.135 1.00 32.16 O HETATM 1298 O HOH A 372 -39.849 7.388 259.938 1.00 30.31 O HETATM 1299 O HOH A 373 -42.576 24.768 275.479 1.00 29.44 O HETATM 1300 O HOH A 374 -26.468 16.023 249.749 1.00 31.81 O HETATM 1301 O HOH A 375 -12.485 25.261 281.413 1.00 21.47 O HETATM 1302 O HOH A 376 -29.730 -2.881 267.404 1.00 32.14 O HETATM 1303 O HOH A 377 -25.458 5.593 250.528 1.00 39.51 O HETATM 1304 O HOH A 378 -14.604 1.151 265.707 1.00 29.49 O HETATM 1305 O HOH A 379 -37.480 12.661 276.213 1.00 31.96 O HETATM 1306 O HOH A 380 -28.112 27.561 256.214 1.00 29.18 O HETATM 1307 O HOH A 381 -9.289 25.695 278.205 1.00 33.43 O HETATM 1308 O HOH A 382 -16.432 33.219 274.449 1.00 25.72 O HETATM 1309 O HOH A 383 -15.221 -0.170 268.153 1.00 32.69 O HETATM 1310 O HOH A 384 -18.690 32.862 276.321 1.00 22.13 O HETATM 1311 O HOH A 385 -18.980 6.219 255.458 1.00 36.66 O HETATM 1312 O HOH A 386 -28.238 27.872 259.906 1.00 19.76 O HETATM 1313 O HOH A 387 -32.028 30.716 282.055 1.00 34.22 O HETATM 1314 O HOH A 388 -12.638 25.251 283.953 1.00 32.19 O HETATM 1315 O HOH A 389 -17.220 4.149 274.905 1.00 36.68 O HETATM 1316 O HOH A 390 -22.124 30.344 265.040 1.00 30.74 O HETATM 1317 O HOH A 391 -41.519 15.341 266.839 1.00 34.42 O HETATM 1318 O HOH A 392 -34.102 24.854 283.238 1.00 28.08 O HETATM 1319 O HOH A 393 -31.612 33.044 262.532 1.00 41.08 O HETATM 1320 O HOH A 394 -23.901 29.378 285.904 1.00 28.84 O HETATM 1321 O HOH A 395 -33.432 -0.654 269.298 1.00 36.12 O HETATM 1322 O HOH A 396 -33.380 10.137 253.018 1.00 35.49 O HETATM 1323 O HOH A 397 -40.299 21.397 271.804 1.00 32.04 O HETATM 1324 O HOH A 398 -14.190 7.759 260.988 1.00 21.81 O HETATM 1325 O HOH A 399 -28.426 27.730 251.448 1.00 30.67 O HETATM 1326 O HOH A 400 -16.600 -3.659 262.309 1.00 31.16 O HETATM 1327 O HOH A 401 -29.725 30.591 262.873 1.00 32.91 O HETATM 1328 O HOH A 402 -26.189 29.232 260.391 1.00 26.15 O HETATM 1329 O HOH A 403 -11.378 8.374 260.589 1.00 33.95 O HETATM 1330 O HOH A 404 -14.296 4.965 261.545 1.00 27.29 O HETATM 1331 O HOH A 405 -12.413 32.087 265.589 1.00 27.71 O HETATM 1332 O HOH A 406 -41.235 5.659 267.460 1.00 31.95 O HETATM 1333 O HOH A 407 -8.809 30.726 272.004 1.00 39.50 O HETATM 1334 O HOH A 408 -24.200 28.902 258.581 1.00 32.79 O HETATM 1335 O HOH A 409 -34.568 34.031 273.368 1.00 36.26 O HETATM 1336 O HOH A 410 -19.871 4.124 254.773 1.00 39.95 O HETATM 1337 O HOH A 411 -20.186 30.007 262.915 1.00 26.81 O HETATM 1338 O HOH A 412 -19.291 33.916 263.297 1.00 38.52 O HETATM 1339 O HOH A 413 -16.359 31.137 260.345 1.00 25.89 O HETATM 1340 O HOH A 414 -7.252 28.355 271.078 1.00 32.35 O HETATM 1341 O HOH A 415 -36.009 2.962 275.460 1.00 31.23 O HETATM 1342 O HOH A 416 -29.806 28.557 257.928 1.00 22.02 O HETATM 1343 O HOH A 417 -17.321 28.805 290.469 1.00 33.25 O HETATM 1344 O HOH A 418 -37.608 3.896 279.432 1.00 30.70 O HETATM 1345 O HOH A 419 -21.049 9.769 254.466 1.00 25.26 O HETATM 1346 O HOH A 420 -22.803 5.744 253.028 1.00 24.65 O HETATM 1347 O HOH A 421 -40.523 15.105 273.854 1.00 35.20 O HETATM 1348 O HOH A 422 -28.640 26.195 247.235 1.00 36.44 O HETATM 1349 O HOH A 423 -19.004 30.088 289.680 1.00 35.17 O HETATM 1350 O HOH A 424 -30.883 4.891 256.719 1.00 29.23 O HETATM 1351 O HOH A 425 -24.632 32.755 262.657 1.00 36.42 O HETATM 1352 O HOH A 426 -17.743 34.847 272.466 1.00 35.43 O HETATM 1353 O HOH A 427 -8.777 9.980 268.469 1.00 26.32 O HETATM 1354 O HOH A 428 -40.142 8.114 262.162 1.00 30.10 O HETATM 1355 O HOH A 429 -20.417 28.785 260.518 1.00 35.71 O HETATM 1356 O HOH A 430 -40.126 23.760 272.237 1.00 21.19 O HETATM 1357 O HOH A 431 -40.062 18.250 279.492 1.00 39.21 O HETATM 1358 O HOH A 432 -32.914 26.979 284.366 1.00 32.33 O HETATM 1359 O HOH A 433 -20.690 -3.020 273.276 1.00 38.49 O HETATM 1360 O HOH A 434 -10.560 7.379 265.998 1.00 31.60 O HETATM 1361 O HOH A 435 -29.602 23.083 244.232 1.00 34.56 O HETATM 1362 O HOH A 436 -38.515 14.666 279.876 1.00 31.66 O HETATM 1363 O HOH A 437 -41.806 7.489 268.671 1.00 37.94 O HETATM 1364 O HOH A 438 -9.864 13.719 265.530 1.00 16.12 O HETATM 1365 O HOH A 439 -14.309 11.429 253.115 1.00 35.08 O HETATM 1366 O HOH A 440 -31.825 1.574 259.091 1.00 32.69 O HETATM 1367 O HOH A 441 -32.736 -0.872 273.982 1.00 30.44 O HETATM 1368 O HOH A 442 -41.995 10.072 269.302 1.00 39.24 O HETATM 1369 O HOH A 443 -11.613 9.662 262.777 1.00 32.57 O HETATM 1370 O HOH A 444 -22.941 8.163 252.029 1.00 33.15 O HETATM 1371 O HOH A 445 -42.137 12.994 264.588 1.00 31.56 O HETATM 1372 O HOH A 446 -5.096 11.675 271.118 1.00 37.21 O HETATM 1373 O HOH A 447 -43.268 22.371 275.071 1.00 33.42 O HETATM 1374 O HOH A 448 -21.218 -4.938 272.253 1.00 36.05 O HETATM 1375 O HOH A 449 -21.035 9.425 250.288 1.00 38.69 O HETATM 1376 O HOH A 450 -9.504 9.461 264.384 1.00 26.00 O HETATM 1377 O HOH A 451 -30.470 31.125 257.585 1.00 25.36 O HETATM 1378 O HOH A 452 -5.953 9.830 268.511 1.00 36.33 O HETATM 1379 O HOH A 453 -33.308 31.113 256.919 1.00 24.74 O HETATM 1380 O HOH A 454 -7.085 8.651 263.002 1.00 34.81 O END