USER MOD reduce.3.24.130724 H: found=0, std=0, add=1109, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER PROTEIN BINDING 08-JUN-18 6A1Y TITLE CHARCOT-LEYDEN CRYSTAL PROTEIN/GALECTIN-10 VARIANT Y35A COMPND MOL_ID: 1; COMPND 2 MOLECULE: GALECTIN-10; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 1-142; COMPND 5 SYNONYM: GAL-10,CHARCOT-LEYDEN CRYSTAL PROTEIN; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CLC; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS PROTEIN BINDING EXPDTA X-RAY DIFFRACTION AUTHOR J.SU REVDAT 1 26-DEC-18 6A1Y 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) : 19.50 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.350 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.6 REMARK 3 NUMBER OF REFLECTIONS : 23689 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.180 REMARK 3 R VALUE (WORKING SET) : 0.178 REMARK 3 FREE R VALUE : 0.199 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 8.440 REMARK 3 FREE R VALUE TEST SET COUNT : 2000 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.140 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 17.570 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.22 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 6A1Y 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_1300008036. 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 : 23709 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.630 REMARK 200 RESOLUTION RANGE LOW (A) : 19.504 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 99.0 REMARK 200 DATA REDUNDANCY : 18.80 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 18.5000 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 (%): 55.40 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.76 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: BISTRIS, VAPOR DIFFUSION, HANGING REMARK 280 DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 2 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 7555 Y,X,-Z+2/3 REMARK 290 8555 X-Y,-Y,-Z REMARK 290 9555 -X,-X+Y,-Z+1/3 REMARK 290 10555 -Y,-X,-Z+1/6 REMARK 290 11555 -X+Y,Y,-Z+1/2 REMARK 290 12555 X,X-Y,-Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 173.78933 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 86.89467 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 130.34200 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 43.44733 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 217.23667 REMARK 290 SMTRY1 7 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 7 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 173.78933 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 9 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 9 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 9 0.000000 0.000000 -1.000000 86.89467 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 43.44733 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 130.34200 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 217.23667 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 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 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 2 0.500000 0.866025 0.000000 24.28450 REMARK 350 BIOMT2 2 0.866025 -0.500000 0.000000 -42.06199 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -43.44733 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 265 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 308 LIES ON A SPECIAL POSITION. REMARK 375 HOH A 348 LIES ON A SPECIAL POSITION. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A -2 REMARK 465 SER A -1 REMARK 465 HIS A 0 REMARK 465 MET A 1 REMARK 465 ARG A 142 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 SER A 2 OG REMARK 470 GLU A 77 CG CD OE1 OE2 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 MET A 44 38.64 -80.54 REMARK 500 ARG A 60 -63.50 -126.99 REMARK 500 LYS A 73 -146.57 -100.18 REMARK 500 ARG A 128 -148.35 79.25 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 389 DISTANCE = 5.86 ANGSTROMS REMARK 525 HOH A 390 DISTANCE = 6.24 ANGSTROMS REMARK 525 HOH A 391 DISTANCE = 6.45 ANGSTROMS REMARK 525 HOH A 392 DISTANCE = 6.46 ANGSTROMS REMARK 525 HOH A 393 DISTANCE = 6.75 ANGSTROMS REMARK 525 HOH A 394 DISTANCE = 7.94 ANGSTROMS DBREF 6A1Y A 1 142 UNP Q05315 LEG10_HUMAN 1 142 SEQADV 6A1Y GLY A -2 UNP Q05315 EXPRESSION TAG SEQADV 6A1Y SER A -1 UNP Q05315 EXPRESSION TAG SEQADV 6A1Y HIS A 0 UNP Q05315 EXPRESSION TAG SEQADV 6A1Y ALA A 35 UNP Q05315 TYR 35 ENGINEERED MUTATION SEQRES 1 A 145 GLY SER HIS MET SER LEU LEU PRO VAL PRO TYR THR GLU SEQRES 2 A 145 ALA ALA SER LEU SER THR GLY SER THR VAL THR ILE LYS SEQRES 3 A 145 GLY ARG PRO LEU ALA CYS PHE LEU ASN GLU PRO ALA 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 *194(H2 O) HELIX 1 AA1 CYS A 29 GLU A 33 5 5 HELIX 2 AA2 LYS A 117 VAL A 121 5 5 SHEET 1 AA1 6 TYR A 8 ALA A 11 0 SHEET 2 AA1 6 MET A 123 ARG A 128 -1 O VAL A 126 N TYR A 8 SHEET 3 AA1 6 ALA 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 ALA 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 0.27 CRYST1 48.569 48.569 260.684 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 0.020589 0.011887 0.000000 0.00000 SCALE2 0.000000 0.023774 0.000000 0.00000 SCALE3 0.000000 0.000000 0.003836 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 41 HIS : no HD1:sc= 1.35 K(o=2,f=-5.3!) USER MOD Set 1.2: A 48 SER OG : rot -84:sc= 0.68 USER MOD Set 1.3: A 123 MET CE :methyl 136:sc= -0.0344 (180deg=-1.45) USER MOD Set 2.1: A 101 GLN : amide:sc= 1.2 K(o=1.6,f=0.061) USER MOD Set 2.2: A 108 SER OG : rot 122:sc= 0.385 USER MOD Set 3.1: A 37 GLN : amide:sc= 1.43 K(o=5.1,f=-6.9!) USER MOD Set 3.2: A 53 HIS : no HE2:sc= 1.23 K(o=5.1,f=0.76!) USER MOD Set 3.3: A 55 GLN : amide:sc= 2.44 K(o=5.1,f=0.93) USER MOD Set 4.1: A 19 THR OG1 : rot -7:sc= 1.03 USER MOD Set 4.2: A 94 SER OG : rot 81:sc= 1.79 USER MOD Set 5.1: A 9 THR OG1 : rot 97:sc= 1.86 USER MOD Set 5.2: A 125 GLN : amide:sc= 2.07 K(o=3.9,f=2.2) USER MOD Single : A 8 TYR OH : rot -164:sc= 2.42 USER MOD Single : A 13 SER OG : rot -55:sc= 1.29 USER MOD Single : A 15 SER OG : rot 108:sc= 0.241 USER MOD Single : A 16 THR OG1 : rot 172:sc= 2.65 USER MOD Single : A 18 SER OG : rot -123:sc= 1.87 USER MOD Single : A 21 THR OG1 : rot -114:sc= 2.06 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 180:sc= 0.00457 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 42 THR OG1 : rot 133:sc= 1.31 USER MOD Single : A 44 MET CE :methyl -162:sc= -0.23 (180deg=-0.653) USER MOD Single : A 45 LYS NZ :NH3+ -166:sc= -0.129 (180deg=-0.35) USER MOD Single : A 57 CYS SG : rot -56:sc= -1.75! USER MOD Single : A 64 MET CE :methyl -119:sc= -0.0445 (180deg=-0.323) USER MOD Single : A 65 ASN : amide:sc= 1.11 K(o=1.1,f=-7.7!) USER MOD Single : A 66 SER OG : rot 146:sc= 1.21 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.05 (180deg=-0.222) USER MOD Single : A 74 GLN : amide:sc= 0.11 X(o=0.11,f=-0.18) USER MOD Single : A 75 GLN : amide:sc= 0.842 X(o=0.84,f=0.49) USER MOD Single : A 78 SER OG : rot 53:sc= 0.254 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 1.53 K(o=1.5,f=0.039) USER MOD Single : A 81 MET CE :methyl 166:sc= -0.0772 (180deg=-0.385) USER MOD Single : A 84 GLN : amide:sc= 0.404 K(o=0.4,f=-0.13) USER MOD Single : A 87 GLN : amide:sc= 0.912 K(o=0.91,f=-0.32) USER MOD Single : A 92 SER OG : rot -130:sc= 1.48 USER MOD Single : A 99 LYS NZ :NH3+ -153:sc= 0.425 (180deg=0.113) USER MOD Single : A 100 TYR OH : rot 30:sc= 0.981 USER MOD Single : A 103 MET CE :methyl -151:sc= -0.144 (180deg=-0.533) USER MOD Single : A 105 ASN : amide:sc= 0.974 K(o=0.97,f=-4.1!) USER MOD Single : A 107 GLN : amide:sc= -2.75! C(o=-2.7!,f=0.81!) USER MOD Single : A 109 SER OG : rot 64:sc= 0.18 USER MOD Single : A 110 TYR OH : rot 17:sc= 0.43 USER MOD Single : A 111 THR OG1 : rot 85:sc= 1.11 USER MOD Single : A 114 HIS : no HD1:sc= 0.404 K(o=0.4,f=-3.4!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ -168:sc= 0.00429 (180deg=0.00051) USER MOD Single : A 131 SER OG : rot 91:sc= 2.16 USER MOD Single : A 133 THR OG1 : rot -105:sc= 0.634 USER MOD Single : A 134 LYS NZ :NH3+ -152:sc= 0.0437 (180deg=-0.0457) USER MOD Single : A 136 ASN : amide:sc= 2.11 X(o=2.1,f=1.9) USER MOD Single : A 138 SER OG : rot 97:sc= 1.68 USER MOD Single : A 139 TYR OH : rot 170:sc= 1.11 USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 2 13.915 -26.513 -17.517 1.00 45.55 N ATOM 2 CA SER A 2 13.201 -27.755 -17.818 1.00 42.45 C ATOM 3 C SER A 2 11.812 -27.730 -17.185 1.00 40.50 C ATOM 4 O SER A 2 10.896 -27.081 -17.701 1.00 45.43 O ATOM 5 CB SER A 2 13.992 -28.971 -17.326 1.00 36.37 C ATOM 0 HA SER A 2 13.105 -27.828 -18.780 1.00 42.45 H new ATOM 6 N LEU A 3 11.653 -28.440 -16.064 1.00 45.26 N ATOM 7 CA LEU A 3 10.404 -28.349 -15.316 1.00 37.74 C ATOM 8 C LEU A 3 10.188 -26.930 -14.805 1.00 27.75 C ATOM 9 O LEU A 3 9.101 -26.361 -14.953 1.00 29.27 O ATOM 10 CB LEU A 3 10.403 -29.340 -14.150 1.00 38.81 C ATOM 11 CG LEU A 3 10.838 -30.775 -14.423 1.00 46.50 C ATOM 12 CD1 LEU A 3 12.219 -31.007 -13.842 1.00 38.75 C ATOM 13 CD2 LEU A 3 9.834 -31.759 -13.841 1.00 44.64 C ATOM 0 H LEU A 3 12.244 -28.968 -15.729 1.00 45.26 H new ATOM 0 HA LEU A 3 9.674 -28.575 -15.914 1.00 37.74 H new ATOM 0 HB2 LEU A 3 10.980 -28.982 -13.457 1.00 38.81 H new ATOM 0 HB3 LEU A 3 9.505 -29.367 -13.785 1.00 38.81 H new ATOM 0 HG LEU A 3 10.873 -30.919 -15.382 1.00 46.50 H new ATOM 0 HD11 LEU A 3 12.494 -31.921 -14.017 1.00 38.75 H new ATOM 0 HD12 LEU A 3 12.850 -30.395 -14.253 1.00 38.75 H new ATOM 0 HD13 LEU A 3 12.197 -30.854 -12.884 1.00 38.75 H new ATOM 0 HD21 LEU A 3 10.126 -32.666 -14.024 1.00 44.64 H new ATOM 0 HD22 LEU A 3 9.770 -31.627 -12.882 1.00 44.64 H new ATOM 0 HD23 LEU A 3 8.965 -31.612 -14.246 1.00 44.64 H new ATOM 14 N LEU A 4 11.231 -26.332 -14.208 1.00 23.41 N ATOM 15 CA LEU A 4 11.110 -25.017 -13.599 1.00 19.80 C ATOM 16 C LEU A 4 11.227 -23.925 -14.660 1.00 18.63 C ATOM 17 O LEU A 4 12.059 -24.024 -15.563 1.00 20.62 O ATOM 18 CB LEU A 4 12.192 -24.828 -12.536 1.00 18.96 C ATOM 19 CG LEU A 4 12.119 -25.835 -11.384 1.00 26.88 C ATOM 20 CD1 LEU A 4 13.231 -25.633 -10.365 1.00 23.89 C ATOM 21 CD2 LEU A 4 10.790 -25.692 -10.717 1.00 27.91 C ATOM 0 H LEU A 4 12.015 -26.680 -14.150 1.00 23.41 H new ATOM 0 HA LEU A 4 10.238 -24.951 -13.179 1.00 19.80 H new ATOM 0 HB2 LEU A 4 13.062 -24.897 -12.958 1.00 18.96 H new ATOM 0 HB3 LEU A 4 12.123 -23.931 -12.174 1.00 18.96 H new ATOM 0 HG LEU A 4 12.231 -26.726 -11.750 1.00 26.88 H new ATOM 0 HD11 LEU A 4 13.145 -26.290 -9.657 1.00 23.89 H new ATOM 0 HD12 LEU A 4 14.092 -25.738 -10.800 1.00 23.89 H new ATOM 0 HD13 LEU A 4 13.166 -24.742 -9.988 1.00 23.89 H new ATOM 0 HD21 LEU A 4 10.726 -26.323 -9.983 1.00 27.91 H new ATOM 0 HD22 LEU A 4 10.695 -24.789 -10.375 1.00 27.91 H new ATOM 0 HD23 LEU A 4 10.085 -25.870 -11.359 1.00 27.91 H new ATOM 22 N PRO A 5 10.401 -22.885 -14.581 1.00 20.38 N ATOM 23 CA PRO A 5 10.523 -21.785 -15.540 1.00 23.15 C ATOM 24 C PRO A 5 11.840 -21.054 -15.349 1.00 19.71 C ATOM 25 O PRO A 5 12.335 -20.917 -14.230 1.00 20.82 O ATOM 26 CB PRO A 5 9.333 -20.884 -15.199 1.00 28.63 C ATOM 27 CG PRO A 5 9.103 -21.139 -13.732 1.00 29.02 C ATOM 28 CD PRO A 5 9.385 -22.612 -13.550 1.00 25.70 C ATOM 0 HA PRO A 5 10.517 -22.079 -16.464 1.00 23.15 H new ATOM 0 HB2 PRO A 5 9.532 -19.950 -15.372 1.00 28.63 H new ATOM 0 HB3 PRO A 5 8.551 -21.110 -15.727 1.00 28.63 H new ATOM 0 HG2 PRO A 5 9.692 -20.597 -13.184 1.00 29.02 H new ATOM 0 HG3 PRO A 5 8.194 -20.920 -13.474 1.00 29.02 H new ATOM 0 HD2 PRO A 5 9.716 -22.807 -12.659 1.00 25.70 H new ATOM 0 HD3 PRO A 5 8.588 -23.149 -13.680 1.00 25.70 H new ATOM 29 N VAL A 6 12.420 -20.617 -16.462 1.00 16.67 N ATOM 30 CA VAL A 6 13.628 -19.796 -16.457 1.00 14.97 C ATOM 31 C VAL A 6 13.348 -18.570 -17.321 1.00 17.41 C ATOM 32 O VAL A 6 12.935 -18.732 -18.481 1.00 18.64 O ATOM 33 CB VAL A 6 14.855 -20.572 -16.962 1.00 15.66 C ATOM 34 CG1 VAL A 6 16.067 -19.647 -17.062 1.00 14.90 C ATOM 35 CG2 VAL A 6 15.147 -21.765 -16.066 1.00 17.34 C ATOM 0 H VAL A 6 12.121 -20.790 -17.250 1.00 16.67 H new ATOM 0 HA VAL A 6 13.843 -19.530 -15.549 1.00 14.97 H new ATOM 0 HB VAL A 6 14.660 -20.911 -17.850 1.00 15.66 H new ATOM 0 HG11 VAL A 6 16.833 -20.150 -17.381 1.00 14.90 H new ATOM 0 HG12 VAL A 6 15.873 -18.925 -17.681 1.00 14.90 H new ATOM 0 HG13 VAL A 6 16.265 -19.278 -16.187 1.00 14.90 H new ATOM 0 HG21 VAL A 6 15.923 -22.240 -16.402 1.00 17.34 H new ATOM 0 HG22 VAL A 6 15.323 -21.457 -15.163 1.00 17.34 H new ATOM 0 HG23 VAL A 6 14.382 -22.361 -16.060 1.00 17.34 H new ATOM 36 N PRO A 7 13.551 -17.332 -16.827 1.00 16.19 N ATOM 37 CA PRO A 7 14.039 -16.936 -15.495 1.00 14.88 C ATOM 38 C PRO A 7 13.222 -17.504 -14.358 1.00 14.24 C ATOM 39 O PRO A 7 11.991 -17.600 -14.439 1.00 17.20 O ATOM 40 CB PRO A 7 13.915 -15.411 -15.505 1.00 15.29 C ATOM 41 CG PRO A 7 14.082 -15.058 -16.953 1.00 16.71 C ATOM 42 CD PRO A 7 13.384 -16.160 -17.709 1.00 16.81 C ATOM 0 HA PRO A 7 14.938 -17.268 -15.346 1.00 14.88 H new ATOM 0 HB2 PRO A 7 13.055 -15.120 -15.163 1.00 15.29 H new ATOM 0 HB3 PRO A 7 14.596 -14.993 -14.954 1.00 15.29 H new ATOM 0 HG2 PRO A 7 13.689 -14.193 -17.151 1.00 16.71 H new ATOM 0 HG3 PRO A 7 15.020 -15.006 -17.195 1.00 16.71 H new ATOM 0 HD2 PRO A 7 12.448 -15.955 -17.859 1.00 16.81 H new ATOM 0 HD3 PRO A 7 13.785 -16.307 -18.580 1.00 16.81 H new ATOM 43 N TYR A 8 13.925 -17.910 -13.317 1.00 11.43 N ATOM 44 CA TYR A 8 13.308 -18.497 -12.142 1.00 11.76 C ATOM 45 C TYR A 8 13.381 -17.497 -10.997 1.00 12.37 C ATOM 46 O TYR A 8 14.449 -16.940 -10.718 1.00 13.22 O ATOM 47 CB TYR A 8 14.010 -19.794 -11.748 1.00 11.75 C ATOM 48 CG TYR A 8 13.349 -20.464 -10.574 1.00 12.81 C ATOM 49 CD1 TYR A 8 12.235 -21.264 -10.758 1.00 17.78 C ATOM 50 CD2 TYR A 8 13.826 -20.276 -9.284 1.00 13.78 C ATOM 51 CE1 TYR A 8 11.615 -21.877 -9.677 1.00 20.10 C ATOM 52 CE2 TYR A 8 13.216 -20.880 -8.204 1.00 14.49 C ATOM 53 CZ TYR A 8 12.116 -21.673 -8.404 1.00 20.47 C ATOM 54 OH TYR A 8 11.508 -22.272 -7.317 1.00 23.14 O ATOM 0 H TYR A 8 14.782 -17.853 -13.271 1.00 11.43 H new ATOM 0 HA TYR A 8 12.382 -18.707 -12.341 1.00 11.76 H new ATOM 0 HB2 TYR A 8 14.013 -20.401 -12.505 1.00 11.75 H new ATOM 0 HB3 TYR A 8 14.936 -19.605 -11.531 1.00 11.75 H new ATOM 0 HD1 TYR A 8 11.898 -21.393 -11.615 1.00 17.78 H new ATOM 0 HD2 TYR A 8 14.569 -19.734 -9.146 1.00 13.78 H new ATOM 0 HE1 TYR A 8 10.871 -22.419 -9.808 1.00 20.10 H new ATOM 0 HE2 TYR A 8 13.549 -20.750 -7.345 1.00 14.49 H new ATOM 0 HH TYR A 8 11.768 -21.900 -6.610 1.00 23.14 H new ATOM 55 N THR A 9 12.257 -17.292 -10.315 1.00 10.64 N ATOM 56 CA THR A 9 12.181 -16.329 -9.226 1.00 13.08 C ATOM 57 C THR A 9 11.544 -17.005 -8.026 1.00 14.08 C ATOM 58 O THR A 9 10.480 -17.616 -8.152 1.00 16.15 O ATOM 59 CB THR A 9 11.357 -15.103 -9.629 1.00 20.38 C ATOM 60 OG1 THR A 9 11.969 -14.454 -10.747 1.00 18.84 O ATOM 61 CG2 THR A 9 11.241 -14.138 -8.468 1.00 19.65 C ATOM 0 H THR A 9 11.520 -17.707 -10.472 1.00 10.64 H new ATOM 0 HA THR A 9 13.076 -16.026 -9.008 1.00 13.08 H new ATOM 0 HB THR A 9 10.466 -15.394 -9.878 1.00 20.38 H new ATOM 0 HG1 THR A 9 11.594 -14.703 -11.456 1.00 18.84 H new ATOM 0 HG21 THR A 9 10.717 -13.368 -8.738 1.00 19.65 H new ATOM 0 HG22 THR A 9 10.805 -14.579 -7.722 1.00 19.65 H new ATOM 0 HG23 THR A 9 12.126 -13.848 -8.198 1.00 19.65 H new ATOM 62 N GLU A 10 12.193 -16.906 -6.866 1.00 12.00 N ATOM 63 CA GLU A 10 11.601 -17.396 -5.629 1.00 11.58 C ATOM 64 C GLU A 10 11.875 -16.388 -4.521 1.00 12.17 C ATOM 65 O GLU A 10 13.020 -15.960 -4.334 1.00 13.86 O ATOM 66 CB GLU A 10 12.151 -18.785 -5.250 1.00 13.33 C ATOM 67 CG GLU A 10 11.451 -19.419 -4.022 1.00 16.84 C ATOM 68 CD GLU A 10 11.810 -20.884 -3.794 1.00 17.47 C ATOM 69 OE1 GLU A 10 11.748 -21.680 -4.758 1.00 19.45 O ATOM 70 OE2 GLU A 10 12.135 -21.245 -2.635 1.00 18.54 O ATOM 0 H GLU A 10 12.975 -16.559 -6.777 1.00 12.00 H new ATOM 0 HA GLU A 10 10.644 -17.495 -5.755 1.00 11.58 H new ATOM 0 HB2 GLU A 10 12.055 -19.380 -6.010 1.00 13.33 H new ATOM 0 HB3 GLU A 10 13.101 -18.709 -5.067 1.00 13.33 H new ATOM 0 HG2 GLU A 10 11.685 -18.911 -3.230 1.00 16.84 H new ATOM 0 HG3 GLU A 10 10.490 -19.344 -4.134 1.00 16.84 H new ATOM 71 N ALA A 11 10.818 -15.971 -3.819 1.00 12.23 N ATOM 72 CA ALA A 11 11.015 -15.211 -2.589 1.00 11.45 C ATOM 73 C ALA A 11 11.901 -16.010 -1.647 1.00 10.89 C ATOM 74 O ALA A 11 11.810 -17.238 -1.589 1.00 12.64 O ATOM 75 CB ALA A 11 9.665 -14.913 -1.925 1.00 12.04 C ATOM 0 H ALA A 11 9.998 -16.115 -4.034 1.00 12.23 H new ATOM 0 HA ALA A 11 11.444 -14.366 -2.797 1.00 11.45 H new ATOM 0 HB1 ALA A 11 9.810 -14.408 -1.110 1.00 12.04 H new ATOM 0 HB2 ALA A 11 9.113 -14.395 -2.532 1.00 12.04 H new ATOM 0 HB3 ALA A 11 9.217 -15.747 -1.713 1.00 12.04 H new ATOM 76 N ALA A 12 12.780 -15.324 -0.914 1.00 10.43 N ATOM 77 CA ALA A 12 13.738 -16.068 -0.104 1.00 10.89 C ATOM 78 C ALA A 12 14.215 -15.220 1.063 1.00 12.54 C ATOM 79 O ALA A 12 14.247 -13.989 0.987 1.00 14.78 O ATOM 80 CB ALA A 12 14.952 -16.518 -0.933 1.00 14.24 C ATOM 0 H ALA A 12 12.837 -14.467 -0.872 1.00 10.43 H new ATOM 0 HA ALA A 12 13.283 -16.858 0.228 1.00 10.89 H new ATOM 0 HB1 ALA A 12 15.568 -17.008 -0.366 1.00 14.24 H new ATOM 0 HB2 ALA A 12 14.655 -17.090 -1.658 1.00 14.24 H new ATOM 0 HB3 ALA A 12 15.401 -15.740 -1.299 1.00 14.24 H new ATOM 81 N SER A 13 14.581 -15.902 2.144 1.00 14.72 N ATOM 82 CA SER A 13 15.319 -15.306 3.244 1.00 15.31 C ATOM 83 C SER A 13 16.572 -16.126 3.480 1.00 15.44 C ATOM 84 O SER A 13 16.570 -17.352 3.322 1.00 15.83 O ATOM 85 CB SER A 13 14.501 -15.255 4.541 1.00 15.46 C ATOM 86 OG SER A 13 13.356 -14.448 4.360 1.00 17.41 O ATOM 0 H SER A 13 14.403 -16.736 2.258 1.00 14.72 H new ATOM 0 HA SER A 13 15.533 -14.392 3.001 1.00 15.31 H new ATOM 0 HB2 SER A 13 14.236 -16.151 4.800 1.00 15.46 H new ATOM 0 HB3 SER A 13 15.045 -14.900 5.261 1.00 15.46 H new ATOM 0 HG SER A 13 13.589 -13.687 4.092 1.00 17.41 H new ATOM 87 N LEU A 14 17.633 -15.444 3.882 1.00 12.97 N ATOM 88 CA LEU A 14 18.931 -16.071 4.086 1.00 11.42 C ATOM 89 C LEU A 14 19.546 -15.599 5.396 1.00 14.56 C ATOM 90 O LEU A 14 19.423 -14.426 5.766 1.00 15.67 O ATOM 91 CB LEU A 14 19.892 -15.746 2.927 1.00 10.39 C ATOM 92 CG LEU A 14 19.508 -16.198 1.516 1.00 11.90 C ATOM 93 CD1 LEU A 14 20.597 -15.739 0.541 1.00 14.98 C ATOM 94 CD2 LEU A 14 19.317 -17.692 1.441 1.00 14.16 C ATOM 0 H LEU A 14 17.622 -14.600 4.045 1.00 12.97 H new ATOM 0 HA LEU A 14 18.793 -17.031 4.118 1.00 11.42 H new ATOM 0 HB2 LEU A 14 20.015 -14.784 2.906 1.00 10.39 H new ATOM 0 HB3 LEU A 14 20.754 -16.138 3.139 1.00 10.39 H new ATOM 0 HG LEU A 14 18.659 -15.795 1.276 1.00 11.90 H new ATOM 0 HD11 LEU A 14 20.366 -16.019 -0.358 1.00 14.98 H new ATOM 0 HD12 LEU A 14 20.670 -14.772 0.569 1.00 14.98 H new ATOM 0 HD13 LEU A 14 21.446 -16.134 0.794 1.00 14.98 H new ATOM 0 HD21 LEU A 14 19.075 -17.942 0.536 1.00 14.16 H new ATOM 0 HD22 LEU A 14 20.142 -18.137 1.690 1.00 14.16 H new ATOM 0 HD23 LEU A 14 18.610 -17.959 2.050 1.00 14.16 H new ATOM 95 N SER A 15 20.208 -16.520 6.089 1.00 14.39 N ATOM 96 CA SER A 15 21.026 -16.190 7.249 1.00 14.35 C ATOM 97 C SER A 15 22.149 -17.218 7.332 1.00 15.12 C ATOM 98 O SER A 15 22.215 -18.160 6.541 1.00 12.71 O ATOM 99 CB SER A 15 20.184 -16.165 8.533 1.00 21.67 C ATOM 100 OG SER A 15 19.635 -17.447 8.804 1.00 27.02 O ATOM 0 H SER A 15 20.195 -17.358 5.898 1.00 14.39 H new ATOM 0 HA SER A 15 21.401 -15.301 7.154 1.00 14.35 H new ATOM 0 HB2 SER A 15 20.734 -15.880 9.279 1.00 21.67 H new ATOM 0 HB3 SER A 15 19.469 -15.515 8.443 1.00 21.67 H new ATOM 0 HG SER A 15 20.028 -17.787 9.464 1.00 27.02 H new ATOM 101 N THR A 16 23.039 -17.046 8.305 1.00 17.60 N ATOM 102 CA THR A 16 24.109 -18.024 8.477 1.00 16.15 C ATOM 103 C THR A 16 23.529 -19.428 8.597 1.00 16.67 C ATOM 104 O THR A 16 22.617 -19.676 9.393 1.00 17.03 O ATOM 105 CB THR A 16 24.950 -17.685 9.712 1.00 18.77 C ATOM 106 OG1 THR A 16 25.471 -16.355 9.583 1.00 20.27 O ATOM 107 CG2 THR A 16 26.100 -18.675 9.847 1.00 22.39 C ATOM 0 H THR A 16 23.044 -16.390 8.861 1.00 17.60 H new ATOM 0 HA THR A 16 24.684 -17.993 7.696 1.00 16.15 H new ATOM 0 HB THR A 16 24.392 -17.740 10.503 1.00 18.77 H new ATOM 0 HG1 THR A 16 25.838 -16.127 10.303 1.00 20.27 H new ATOM 0 HG21 THR A 16 26.627 -18.454 10.631 1.00 22.39 H new ATOM 0 HG22 THR A 16 25.745 -19.573 9.940 1.00 22.39 H new ATOM 0 HG23 THR A 16 26.661 -18.629 9.057 1.00 22.39 H new ATOM 108 N GLY A 17 24.038 -20.340 7.772 1.00 15.12 N ATOM 109 CA GLY A 17 23.556 -21.702 7.751 1.00 16.63 C ATOM 110 C GLY A 17 22.578 -22.003 6.637 1.00 18.70 C ATOM 111 O GLY A 17 22.282 -23.182 6.400 1.00 20.53 O ATOM 0 H GLY A 17 24.671 -20.180 7.213 1.00 15.12 H new ATOM 0 HA2 GLY A 17 24.315 -22.301 7.671 1.00 16.63 H new ATOM 0 HA3 GLY A 17 23.131 -21.896 8.601 1.00 16.63 H new ATOM 112 N SER A 18 22.064 -20.980 5.957 1.00 12.56 N ATOM 113 CA SER A 18 21.191 -21.199 4.810 1.00 11.66 C ATOM 114 C SER A 18 21.997 -21.752 3.641 1.00 15.11 C ATOM 115 O SER A 18 23.165 -21.408 3.448 1.00 14.71 O ATOM 116 CB SER A 18 20.515 -19.892 4.384 1.00 11.72 C ATOM 117 OG SER A 18 19.693 -19.363 5.413 1.00 13.10 O ATOM 0 H SER A 18 22.209 -20.153 6.144 1.00 12.56 H new ATOM 0 HA SER A 18 20.507 -21.837 5.068 1.00 11.66 H new ATOM 0 HB2 SER A 18 21.193 -19.241 4.145 1.00 11.72 H new ATOM 0 HB3 SER A 18 19.979 -20.049 3.591 1.00 11.72 H new ATOM 0 HG SER A 18 18.908 -19.275 5.127 1.00 13.10 H new ATOM 118 N THR A 19 21.358 -22.607 2.846 1.00 11.95 N ATOM 119 CA THR A 19 21.971 -23.150 1.640 1.00 11.15 C ATOM 120 C THR A 19 20.976 -23.021 0.496 1.00 12.91 C ATOM 121 O THR A 19 19.794 -23.329 0.668 1.00 14.03 O ATOM 122 CB THR A 19 22.381 -24.611 1.830 1.00 15.52 C ATOM 123 OG1 THR A 19 23.360 -24.693 2.877 1.00 20.43 O ATOM 124 CG2 THR A 19 22.978 -25.184 0.550 1.00 18.59 C ATOM 0 H THR A 19 20.558 -22.887 2.992 1.00 11.95 H new ATOM 0 HA THR A 19 22.779 -22.651 1.440 1.00 11.15 H new ATOM 0 HB THR A 19 21.590 -25.124 2.060 1.00 15.52 H new ATOM 0 HG1 THR A 19 23.581 -23.918 3.115 1.00 20.43 H new ATOM 0 HG21 THR A 19 23.229 -26.109 0.696 1.00 18.59 H new ATOM 0 HG22 THR A 19 22.322 -25.136 -0.163 1.00 18.59 H new ATOM 0 HG23 THR A 19 23.763 -24.672 0.301 1.00 18.59 H new ATOM 125 N VAL A 20 21.447 -22.551 -0.655 1.00 9.60 N ATOM 126 CA VAL A 20 20.643 -22.483 -1.872 1.00 11.62 C ATOM 127 C VAL A 20 21.185 -23.533 -2.828 1.00 12.76 C ATOM 128 O VAL A 20 22.354 -23.466 -3.225 1.00 14.03 O ATOM 129 CB VAL A 20 20.695 -21.088 -2.512 1.00 11.30 C ATOM 130 CG1 VAL A 20 19.829 -21.048 -3.781 1.00 11.68 C ATOM 131 CG2 VAL A 20 20.253 -20.031 -1.512 1.00 13.21 C ATOM 0 H VAL A 20 22.250 -22.260 -0.753 1.00 9.60 H new ATOM 0 HA VAL A 20 19.711 -22.652 -1.662 1.00 11.62 H new ATOM 0 HB VAL A 20 21.610 -20.895 -2.768 1.00 11.30 H new ATOM 0 HG11 VAL A 20 19.871 -20.162 -4.174 1.00 11.68 H new ATOM 0 HG12 VAL A 20 20.159 -21.700 -4.419 1.00 11.68 H new ATOM 0 HG13 VAL A 20 18.910 -21.256 -3.552 1.00 11.68 H new ATOM 0 HG21 VAL A 20 20.290 -19.156 -1.928 1.00 13.21 H new ATOM 0 HG22 VAL A 20 19.344 -20.215 -1.227 1.00 13.21 H new ATOM 0 HG23 VAL A 20 20.842 -20.048 -0.742 1.00 13.21 H new ATOM 132 N THR A 21 20.346 -24.499 -3.200 1.00 10.26 N ATOM 133 CA THR A 21 20.760 -25.603 -4.056 1.00 10.85 C ATOM 134 C THR A 21 20.043 -25.514 -5.395 1.00 14.08 C ATOM 135 O THR A 21 18.813 -25.382 -5.443 1.00 14.82 O ATOM 136 CB THR A 21 20.469 -26.956 -3.408 1.00 14.54 C ATOM 137 OG1 THR A 21 21.071 -27.006 -2.108 1.00 18.94 O ATOM 138 CG2 THR A 21 21.021 -28.084 -4.277 1.00 18.89 C ATOM 0 H THR A 21 19.520 -24.530 -2.961 1.00 10.26 H new ATOM 0 HA THR A 21 21.718 -25.533 -4.189 1.00 10.85 H new ATOM 0 HB THR A 21 19.509 -27.067 -3.323 1.00 14.54 H new ATOM 0 HG1 THR A 21 21.681 -27.584 -2.103 1.00 18.94 H new ATOM 0 HG21 THR A 21 20.832 -28.938 -3.858 1.00 18.89 H new ATOM 0 HG22 THR A 21 20.602 -28.054 -5.151 1.00 18.89 H new ATOM 0 HG23 THR A 21 21.980 -27.978 -4.374 1.00 18.89 H new ATOM 139 N ILE A 22 20.812 -25.627 -6.478 1.00 11.30 N ATOM 140 CA ILE A 22 20.323 -25.430 -7.835 1.00 13.43 C ATOM 141 C ILE A 22 20.822 -26.597 -8.675 1.00 16.21 C ATOM 142 O ILE A 22 22.030 -26.845 -8.730 1.00 17.75 O ATOM 143 CB ILE A 22 20.829 -24.095 -8.412 1.00 15.24 C ATOM 144 CG1 ILE A 22 20.202 -22.915 -7.658 1.00 20.71 C ATOM 145 CG2 ILE A 22 20.584 -24.019 -9.904 1.00 22.83 C ATOM 146 CD1 ILE A 22 21.055 -21.649 -7.670 1.00 20.69 C ATOM 0 H ILE A 22 21.648 -25.824 -6.440 1.00 11.30 H new ATOM 0 HA ILE A 22 19.354 -25.396 -7.840 1.00 13.43 H new ATOM 0 HB ILE A 22 21.789 -24.044 -8.284 1.00 15.24 H new ATOM 0 HG12 ILE A 22 19.337 -22.715 -8.050 1.00 20.71 H new ATOM 0 HG13 ILE A 22 20.043 -23.178 -6.738 1.00 20.71 H new ATOM 0 HG21 ILE A 22 20.911 -23.171 -10.243 1.00 22.83 H new ATOM 0 HG22 ILE A 22 21.051 -24.745 -10.346 1.00 22.83 H new ATOM 0 HG23 ILE A 22 19.633 -24.092 -10.080 1.00 22.83 H new ATOM 0 HD11 ILE A 22 20.600 -20.948 -7.178 1.00 20.69 H new ATOM 0 HD12 ILE A 22 21.912 -21.832 -7.254 1.00 20.69 H new ATOM 0 HD13 ILE A 22 21.195 -21.362 -8.586 1.00 20.69 H new ATOM 147 N LYS A 23 19.910 -27.318 -9.324 1.00 12.88 N ATOM 148 CA LYS A 23 20.302 -28.361 -10.264 1.00 13.09 C ATOM 149 C LYS A 23 19.809 -27.966 -11.644 1.00 12.43 C ATOM 150 O LYS A 23 18.639 -27.617 -11.798 1.00 13.50 O ATOM 151 CB LYS A 23 19.734 -29.722 -9.868 1.00 17.31 C ATOM 152 CG LYS A 23 20.195 -30.850 -10.769 1.00 24.91 C ATOM 153 CD LYS A 23 19.792 -32.213 -10.216 1.00 37.45 C ATOM 154 CE LYS A 23 20.265 -32.391 -8.785 1.00 38.87 C ATOM 155 NZ LYS A 23 20.072 -33.797 -8.325 1.00 53.35 N ATOM 0 H LYS A 23 19.061 -27.218 -9.233 1.00 12.88 H new ATOM 0 HA LYS A 23 21.268 -28.446 -10.259 1.00 13.09 H new ATOM 0 HB2 LYS A 23 19.993 -29.920 -8.954 1.00 17.31 H new ATOM 0 HB3 LYS A 23 18.765 -29.678 -9.885 1.00 17.31 H new ATOM 0 HG2 LYS A 23 19.815 -30.734 -11.654 1.00 24.91 H new ATOM 0 HG3 LYS A 23 21.159 -30.813 -10.868 1.00 24.91 H new ATOM 0 HD2 LYS A 23 18.827 -32.307 -10.254 1.00 37.45 H new ATOM 0 HD3 LYS A 23 20.167 -32.914 -10.772 1.00 37.45 H new ATOM 0 HE2 LYS A 23 21.203 -32.152 -8.719 1.00 38.87 H new ATOM 0 HE3 LYS A 23 19.777 -31.788 -8.203 1.00 38.87 H new ATOM 0 HZ1 LYS A 23 20.356 -33.876 -7.485 1.00 53.35 H new ATOM 0 HZ2 LYS A 23 19.208 -34.007 -8.367 1.00 53.35 H new ATOM 0 HZ3 LYS A 23 20.537 -34.347 -8.848 1.00 53.35 H new ATOM 156 N GLY A 24 20.703 -27.995 -12.627 1.00 10.79 N ATOM 157 CA GLY A 24 20.340 -27.538 -13.953 1.00 13.21 C ATOM 158 C GLY A 24 21.332 -28.001 -14.995 1.00 11.56 C ATOM 159 O GLY A 24 22.235 -28.787 -14.716 1.00 13.19 O ATOM 0 H GLY A 24 21.513 -28.272 -12.545 1.00 10.79 H new ATOM 0 HA2 GLY A 24 19.456 -27.868 -14.178 1.00 13.21 H new ATOM 0 HA3 GLY A 24 20.292 -26.569 -13.960 1.00 13.21 H new ATOM 160 N ARG A 25 21.148 -27.507 -16.224 1.00 11.70 N ATOM 161 CA ARG A 25 21.986 -27.942 -17.333 1.00 13.97 C ATOM 162 C ARG A 25 22.099 -26.792 -18.324 1.00 12.10 C ATOM 163 O ARG A 25 21.093 -26.114 -18.576 1.00 14.00 O ATOM 164 CB ARG A 25 21.376 -29.172 -18.018 1.00 15.16 C ATOM 165 CG ARG A 25 22.219 -29.756 -19.118 1.00 21.21 C ATOM 166 CD ARG A 25 21.626 -31.065 -19.632 1.00 26.18 C ATOM 167 NE ARG A 25 22.454 -31.643 -20.686 1.00 35.85 N ATOM 168 CZ ARG A 25 22.282 -31.405 -21.983 1.00 41.54 C ATOM 169 NH1 ARG A 25 21.300 -30.608 -22.387 1.00 42.13 N ATOM 170 NH2 ARG A 25 23.087 -31.967 -22.878 1.00 40.56 N ATOM 0 H ARG A 25 20.549 -26.926 -16.430 1.00 11.70 H new ATOM 0 HA ARG A 25 22.865 -28.189 -17.004 1.00 13.97 H new ATOM 0 HB2 ARG A 25 21.219 -29.856 -17.349 1.00 15.16 H new ATOM 0 HB3 ARG A 25 20.511 -28.929 -18.383 1.00 15.16 H new ATOM 0 HG2 ARG A 25 22.288 -29.121 -19.848 1.00 21.21 H new ATOM 0 HG3 ARG A 25 23.119 -29.912 -18.791 1.00 21.21 H new ATOM 0 HD2 ARG A 25 21.544 -31.695 -18.899 1.00 26.18 H new ATOM 0 HD3 ARG A 25 20.731 -30.906 -19.971 1.00 26.18 H new ATOM 0 HE ARG A 25 23.093 -32.170 -20.454 1.00 35.85 H new ATOM 0 HH11 ARG A 25 20.775 -30.246 -21.810 1.00 42.13 H new ATOM 0 HH12 ARG A 25 21.189 -30.454 -23.226 1.00 42.13 H new ATOM 0 HH21 ARG A 25 23.722 -32.486 -22.619 1.00 40.56 H new ATOM 0 HH22 ARG A 25 22.973 -31.811 -23.716 1.00 40.56 H new ATOM 171 N PRO A 26 23.279 -26.532 -18.889 1.00 11.98 N ATOM 172 CA PRO A 26 23.373 -25.473 -19.902 1.00 12.14 C ATOM 173 C PRO A 26 22.531 -25.802 -21.127 1.00 13.56 C ATOM 174 O PRO A 26 22.336 -26.968 -21.485 1.00 14.49 O ATOM 175 CB PRO A 26 24.870 -25.427 -20.245 1.00 15.48 C ATOM 176 CG PRO A 26 25.551 -26.028 -19.056 1.00 15.74 C ATOM 177 CD PRO A 26 24.601 -27.092 -18.558 1.00 14.41 C ATOM 0 HA PRO A 26 23.037 -24.620 -19.584 1.00 12.14 H new ATOM 0 HB2 PRO A 26 25.062 -25.929 -21.052 1.00 15.48 H new ATOM 0 HB3 PRO A 26 25.168 -24.517 -20.399 1.00 15.48 H new ATOM 0 HG2 PRO A 26 26.409 -26.409 -19.298 1.00 15.74 H new ATOM 0 HG3 PRO A 26 25.720 -25.360 -18.373 1.00 15.74 H new ATOM 0 HD2 PRO A 26 24.752 -27.943 -18.998 1.00 14.41 H new ATOM 0 HD3 PRO A 26 24.699 -27.244 -17.605 1.00 14.41 H new ATOM 178 N LEU A 27 22.031 -24.750 -21.773 1.00 11.10 N ATOM 179 CA LEU A 27 21.210 -24.915 -22.967 1.00 12.28 C ATOM 180 C LEU A 27 22.039 -25.014 -24.242 1.00 15.26 C ATOM 181 O LEU A 27 21.473 -25.285 -25.309 1.00 16.83 O ATOM 182 CB LEU A 27 20.222 -23.751 -23.105 1.00 15.51 C ATOM 183 CG LEU A 27 19.146 -23.593 -22.030 1.00 15.15 C ATOM 184 CD1 LEU A 27 18.406 -22.276 -22.219 1.00 15.20 C ATOM 185 CD2 LEU A 27 18.177 -24.765 -22.061 1.00 18.27 C ATOM 0 H LEU A 27 22.156 -23.933 -21.535 1.00 11.10 H new ATOM 0 HA LEU A 27 20.731 -25.751 -22.855 1.00 12.28 H new ATOM 0 HB2 LEU A 27 20.735 -22.928 -23.136 1.00 15.51 H new ATOM 0 HB3 LEU A 27 19.776 -23.840 -23.962 1.00 15.51 H new ATOM 0 HG LEU A 27 19.576 -23.584 -21.161 1.00 15.15 H new ATOM 0 HD11 LEU A 27 17.726 -22.185 -21.533 1.00 15.20 H new ATOM 0 HD12 LEU A 27 19.034 -21.539 -22.151 1.00 15.20 H new ATOM 0 HD13 LEU A 27 17.986 -22.263 -23.093 1.00 15.20 H new ATOM 0 HD21 LEU A 27 17.503 -24.647 -21.373 1.00 18.27 H new ATOM 0 HD22 LEU A 27 17.747 -24.807 -22.930 1.00 18.27 H new ATOM 0 HD23 LEU A 27 18.661 -25.590 -21.900 1.00 18.27 H new ATOM 186 N ALA A 28 23.351 -24.810 -24.159 1.00 12.17 N ATOM 187 CA ALA A 28 24.218 -24.852 -25.328 1.00 14.61 C ATOM 188 C ALA A 28 25.543 -25.495 -24.951 1.00 14.93 C ATOM 189 O ALA A 28 25.929 -25.536 -23.779 1.00 13.69 O ATOM 190 CB ALA A 28 24.465 -23.448 -25.897 1.00 15.93 C ATOM 0 H ALA A 28 23.762 -24.643 -23.422 1.00 12.17 H new ATOM 0 HA ALA A 28 23.777 -25.377 -26.014 1.00 14.61 H new ATOM 0 HB1 ALA A 28 25.044 -23.510 -26.672 1.00 15.93 H new ATOM 0 HB2 ALA A 28 23.619 -23.051 -26.157 1.00 15.93 H new ATOM 0 HB3 ALA A 28 24.888 -22.895 -25.222 1.00 15.93 H new ATOM 191 N CYS A 29 26.235 -26.014 -25.962 1.00 13.55 N ATOM 192 CA CYS A 29 27.591 -26.502 -25.766 1.00 15.48 C ATOM 193 C CYS A 29 28.516 -25.345 -25.395 1.00 15.58 C ATOM 194 O CYS A 29 28.250 -24.180 -25.699 1.00 13.20 O ATOM 195 CB CYS A 29 28.095 -27.195 -27.036 1.00 18.11 C ATOM 196 SG CYS A 29 28.304 -26.099 -28.471 1.00 20.73 S ATOM 0 H CYS A 29 25.937 -26.091 -26.765 1.00 13.55 H new ATOM 0 HA CYS A 29 27.589 -27.147 -25.041 1.00 15.48 H new ATOM 0 HB2 CYS A 29 28.946 -27.619 -26.842 1.00 18.11 H new ATOM 0 HB3 CYS A 29 27.474 -27.901 -27.272 1.00 18.11 H new ATOM 0 HG CYS A 29 28.702 -26.736 -29.407 1.00 20.73 H new ATOM 197 N PHE A 30 29.631 -25.678 -24.739 1.00 12.52 N ATOM 198 CA PHE A 30 30.507 -24.623 -24.246 1.00 13.52 C ATOM 199 C PHE A 30 31.131 -23.815 -25.380 1.00 14.12 C ATOM 200 O PHE A 30 31.450 -22.639 -25.187 1.00 13.03 O ATOM 201 CB PHE A 30 31.598 -25.203 -23.345 1.00 14.46 C ATOM 202 CG PHE A 30 31.136 -25.518 -21.945 1.00 13.89 C ATOM 203 CD1 PHE A 30 29.789 -25.614 -21.634 1.00 14.31 C ATOM 204 CD2 PHE A 30 32.064 -25.752 -20.948 1.00 17.75 C ATOM 205 CE1 PHE A 30 29.380 -25.925 -20.348 1.00 14.97 C ATOM 206 CE2 PHE A 30 31.664 -26.058 -19.659 1.00 17.37 C ATOM 207 CZ PHE A 30 30.325 -26.145 -19.358 1.00 14.29 C ATOM 0 H PHE A 30 29.889 -26.482 -24.575 1.00 12.52 H new ATOM 0 HA PHE A 30 29.956 -24.017 -23.726 1.00 13.52 H new ATOM 0 HB2 PHE A 30 31.943 -26.013 -23.752 1.00 14.46 H new ATOM 0 HB3 PHE A 30 32.334 -24.573 -23.298 1.00 14.46 H new ATOM 0 HD1 PHE A 30 29.153 -25.468 -22.296 1.00 14.31 H new ATOM 0 HD2 PHE A 30 32.971 -25.703 -21.146 1.00 17.75 H new ATOM 0 HE1 PHE A 30 28.474 -25.986 -20.149 1.00 14.97 H new ATOM 0 HE2 PHE A 30 32.300 -26.205 -18.997 1.00 17.37 H new ATOM 0 HZ PHE A 30 30.054 -26.351 -18.492 1.00 14.29 H new ATOM 208 N LEU A 31 31.309 -24.411 -26.570 1.00 14.10 N ATOM 209 CA LEU A 31 31.827 -23.637 -27.693 1.00 13.65 C ATOM 210 C LEU A 31 30.961 -22.415 -27.965 1.00 13.98 C ATOM 211 O LEU A 31 31.460 -21.387 -28.439 1.00 16.09 O ATOM 212 CB LEU A 31 31.906 -24.513 -28.948 1.00 14.90 C ATOM 213 CG LEU A 31 32.654 -23.943 -30.151 1.00 17.81 C ATOM 214 CD1 LEU A 31 34.133 -23.829 -29.825 1.00 19.80 C ATOM 215 CD2 LEU A 31 32.431 -24.845 -31.377 1.00 16.05 C ATOM 0 H LEU A 31 31.140 -25.237 -26.738 1.00 14.10 H new ATOM 0 HA LEU A 31 32.718 -23.331 -27.460 1.00 13.65 H new ATOM 0 HB2 LEU A 31 32.326 -25.352 -28.703 1.00 14.90 H new ATOM 0 HB3 LEU A 31 31.001 -24.720 -29.228 1.00 14.90 H new ATOM 0 HG LEU A 31 32.315 -23.058 -30.357 1.00 17.81 H new ATOM 0 HD11 LEU A 31 34.606 -23.467 -30.590 1.00 19.80 H new ATOM 0 HD12 LEU A 31 34.252 -23.240 -29.063 1.00 19.80 H new ATOM 0 HD13 LEU A 31 34.486 -24.707 -29.613 1.00 19.80 H new ATOM 0 HD21 LEU A 31 32.908 -24.480 -32.139 1.00 16.05 H new ATOM 0 HD22 LEU A 31 32.761 -25.737 -31.187 1.00 16.05 H new ATOM 0 HD23 LEU A 31 31.483 -24.888 -31.579 1.00 16.05 H new ATOM 216 N ASN A 32 29.668 -22.501 -27.656 1.00 12.24 N ATOM 217 CA ASN A 32 28.746 -21.403 -27.895 1.00 12.20 C ATOM 218 C ASN A 32 28.618 -20.460 -26.702 1.00 13.44 C ATOM 219 O ASN A 32 27.829 -19.512 -26.769 1.00 13.44 O ATOM 220 CB ASN A 32 27.373 -21.955 -28.296 1.00 12.07 C ATOM 221 CG ASN A 32 27.379 -22.540 -29.701 1.00 16.78 C ATOM 222 OD1 ASN A 32 28.321 -22.327 -30.445 1.00 18.81 O ATOM 223 ND2 ASN A 32 26.328 -23.267 -30.062 1.00 16.86 N ATOM 0 H ASN A 32 29.306 -23.197 -27.303 1.00 12.24 H new ATOM 0 HA ASN A 32 29.112 -20.875 -28.622 1.00 12.20 H new ATOM 0 HB2 ASN A 32 27.103 -22.639 -27.663 1.00 12.07 H new ATOM 0 HB3 ASN A 32 26.713 -21.246 -28.245 1.00 12.07 H new ATOM 0 HD21 ASN A 32 26.293 -23.610 -30.850 1.00 16.86 H new ATOM 0 HD22 ASN A 32 25.683 -23.395 -29.508 1.00 16.86 H new ATOM 224 N GLU A 33 29.374 -20.697 -25.633 1.00 13.97 N ATOM 225 CA GLU A 33 29.468 -19.795 -24.490 1.00 14.80 C ATOM 226 C GLU A 33 28.113 -19.439 -23.868 1.00 11.57 C ATOM 227 O GLU A 33 27.774 -18.257 -23.749 1.00 12.44 O ATOM 228 CB GLU A 33 30.220 -18.532 -24.884 1.00 16.03 C ATOM 229 CG GLU A 33 31.637 -18.856 -25.351 1.00 21.42 C ATOM 230 CD GLU A 33 32.420 -17.635 -25.782 1.00 38.01 C ATOM 231 OE1 GLU A 33 31.864 -16.514 -25.761 1.00 44.00 O ATOM 232 OE2 GLU A 33 33.597 -17.809 -26.162 1.00 44.06 O ATOM 0 H GLU A 33 29.858 -21.403 -25.551 1.00 13.97 H new ATOM 0 HA GLU A 33 29.958 -20.274 -23.803 1.00 14.80 H new ATOM 0 HB2 GLU A 33 29.740 -18.074 -25.592 1.00 16.03 H new ATOM 0 HB3 GLU A 33 30.257 -17.925 -24.128 1.00 16.03 H new ATOM 0 HG2 GLU A 33 32.114 -19.301 -24.633 1.00 21.42 H new ATOM 0 HG3 GLU A 33 31.592 -19.481 -26.091 1.00 21.42 H new ATOM 233 N PRO A 34 27.332 -20.433 -23.447 1.00 11.13 N ATOM 234 CA PRO A 34 26.124 -20.134 -22.675 1.00 9.90 C ATOM 235 C PRO A 34 26.516 -19.535 -21.332 1.00 11.22 C ATOM 236 O PRO A 34 27.643 -19.693 -20.856 1.00 13.04 O ATOM 237 CB PRO A 34 25.464 -21.501 -22.498 1.00 13.16 C ATOM 238 CG PRO A 34 26.637 -22.457 -22.453 1.00 12.04 C ATOM 239 CD PRO A 34 27.639 -21.878 -23.441 1.00 14.36 C ATOM 0 HA PRO A 34 25.534 -19.494 -23.103 1.00 9.90 H new ATOM 0 HB2 PRO A 34 24.939 -21.541 -21.683 1.00 13.16 H new ATOM 0 HB3 PRO A 34 24.864 -21.706 -23.232 1.00 13.16 H new ATOM 0 HG2 PRO A 34 27.013 -22.513 -21.561 1.00 12.04 H new ATOM 0 HG3 PRO A 34 26.371 -23.355 -22.705 1.00 12.04 H new ATOM 0 HD2 PRO A 34 28.553 -22.047 -23.162 1.00 14.36 H new ATOM 0 HD3 PRO A 34 27.535 -22.268 -24.323 1.00 14.36 H new ATOM 240 N ALA A 35 25.569 -18.830 -20.727 1.00 10.03 N ATOM 241 CA ALA A 35 25.805 -18.211 -19.430 1.00 11.68 C ATOM 242 C ALA A 35 24.819 -18.739 -18.398 1.00 11.27 C ATOM 243 O ALA A 35 23.800 -19.349 -18.726 1.00 11.75 O ATOM 244 CB ALA A 35 25.697 -16.681 -19.507 1.00 13.23 C ATOM 0 H ALA A 35 24.783 -18.698 -21.050 1.00 10.03 H new ATOM 0 HA ALA A 35 26.708 -18.441 -19.161 1.00 11.68 H new ATOM 0 HB1 ALA A 35 25.859 -16.300 -18.630 1.00 13.23 H new ATOM 0 HB2 ALA A 35 26.355 -16.341 -20.133 1.00 13.23 H new ATOM 0 HB3 ALA A 35 24.808 -16.434 -19.807 1.00 13.23 H new ATOM 245 N LEU A 36 25.160 -18.509 -17.129 1.00 10.00 N ATOM 246 CA LEU A 36 24.266 -18.754 -16.005 1.00 10.11 C ATOM 247 C LEU A 36 24.382 -17.570 -15.061 1.00 10.37 C ATOM 248 O LEU A 36 25.488 -17.082 -14.819 1.00 10.95 O ATOM 249 CB LEU A 36 24.630 -20.051 -15.260 1.00 10.50 C ATOM 250 CG LEU A 36 24.170 -20.177 -13.801 1.00 12.10 C ATOM 251 CD1 LEU A 36 22.649 -20.322 -13.704 1.00 12.91 C ATOM 252 CD2 LEU A 36 24.869 -21.339 -13.111 1.00 14.51 C ATOM 0 H LEU A 36 25.929 -18.202 -16.897 1.00 10.00 H new ATOM 0 HA LEU A 36 23.359 -18.857 -16.332 1.00 10.11 H new ATOM 0 HB2 LEU A 36 24.259 -20.797 -15.757 1.00 10.50 H new ATOM 0 HB3 LEU A 36 25.595 -20.148 -15.280 1.00 10.50 H new ATOM 0 HG LEU A 36 24.417 -19.358 -13.344 1.00 12.10 H new ATOM 0 HD11 LEU A 36 22.390 -20.399 -12.772 1.00 12.91 H new ATOM 0 HD12 LEU A 36 22.224 -19.542 -14.094 1.00 12.91 H new ATOM 0 HD13 LEU A 36 22.368 -21.117 -14.184 1.00 12.91 H new ATOM 0 HD21 LEU A 36 24.564 -21.401 -12.192 1.00 14.51 H new ATOM 0 HD22 LEU A 36 24.661 -22.164 -13.576 1.00 14.51 H new ATOM 0 HD23 LEU A 36 25.828 -21.194 -13.124 1.00 14.51 H new ATOM 253 N GLN A 37 23.255 -17.102 -14.527 1.00 9.10 N ATOM 254 CA GLN A 37 23.321 -16.024 -13.551 1.00 10.12 C ATOM 255 C GLN A 37 22.430 -16.347 -12.362 1.00 10.68 C ATOM 256 O GLN A 37 21.282 -16.763 -12.531 1.00 10.96 O ATOM 257 CB GLN A 37 22.927 -14.685 -14.177 1.00 10.30 C ATOM 258 CG GLN A 37 23.149 -13.495 -13.261 1.00 9.70 C ATOM 259 CD GLN A 37 23.332 -12.204 -14.037 1.00 12.29 C ATOM 260 OE1 GLN A 37 23.978 -12.188 -15.083 1.00 15.41 O ATOM 261 NE2 GLN A 37 22.754 -11.119 -13.541 1.00 13.86 N ATOM 0 H GLN A 37 22.465 -17.387 -14.711 1.00 9.10 H new ATOM 0 HA GLN A 37 24.238 -15.944 -13.244 1.00 10.12 H new ATOM 0 HB2 GLN A 37 23.437 -14.555 -14.992 1.00 10.30 H new ATOM 0 HB3 GLN A 37 21.991 -14.718 -14.430 1.00 10.30 H new ATOM 0 HG2 GLN A 37 22.393 -13.405 -12.660 1.00 9.70 H new ATOM 0 HG3 GLN A 37 23.932 -13.654 -12.710 1.00 9.70 H new ATOM 0 HE21 GLN A 37 22.309 -11.166 -12.806 1.00 13.86 H new ATOM 0 HE22 GLN A 37 22.824 -10.368 -13.954 1.00 13.86 H new ATOM 262 N VAL A 38 22.975 -16.168 -11.160 1.00 9.66 N ATOM 263 CA VAL A 38 22.225 -16.264 -9.910 1.00 8.25 C ATOM 264 C VAL A 38 22.370 -14.930 -9.198 1.00 9.00 C ATOM 265 O VAL A 38 23.494 -14.475 -8.956 1.00 10.15 O ATOM 266 CB VAL A 38 22.747 -17.414 -9.030 1.00 8.45 C ATOM 267 CG1 VAL A 38 21.957 -17.502 -7.722 1.00 11.24 C ATOM 268 CG2 VAL A 38 22.682 -18.732 -9.801 1.00 12.22 C ATOM 0 H VAL A 38 23.807 -15.984 -11.047 1.00 9.66 H new ATOM 0 HA VAL A 38 21.292 -16.458 -10.092 1.00 8.25 H new ATOM 0 HB VAL A 38 23.673 -17.236 -8.802 1.00 8.45 H new ATOM 0 HG11 VAL A 38 22.302 -18.232 -7.184 1.00 11.24 H new ATOM 0 HG12 VAL A 38 22.047 -16.669 -7.233 1.00 11.24 H new ATOM 0 HG13 VAL A 38 21.021 -17.661 -7.919 1.00 11.24 H new ATOM 0 HG21 VAL A 38 23.012 -19.452 -9.241 1.00 12.22 H new ATOM 0 HG22 VAL A 38 21.763 -18.915 -10.053 1.00 12.22 H new ATOM 0 HG23 VAL A 38 23.229 -18.667 -10.599 1.00 12.22 H new ATOM 269 N ASP A 39 21.237 -14.305 -8.857 1.00 7.91 N ATOM 270 CA ASP A 39 21.244 -13.003 -8.196 1.00 9.08 C ATOM 271 C ASP A 39 20.429 -13.073 -6.917 1.00 9.69 C ATOM 272 O ASP A 39 19.272 -13.501 -6.943 1.00 11.09 O ATOM 273 CB ASP A 39 20.659 -11.916 -9.096 1.00 9.33 C ATOM 274 CG ASP A 39 21.497 -11.655 -10.323 1.00 12.91 C ATOM 275 OD1 ASP A 39 22.724 -11.470 -10.180 1.00 11.88 O ATOM 276 OD2 ASP A 39 20.916 -11.618 -11.430 1.00 14.40 O ATOM 0 H ASP A 39 20.452 -14.624 -9.003 1.00 7.91 H new ATOM 0 HA ASP A 39 22.166 -12.777 -7.997 1.00 9.08 H new ATOM 0 HB2 ASP A 39 19.765 -12.176 -9.370 1.00 9.33 H new ATOM 0 HB3 ASP A 39 20.573 -11.094 -8.588 1.00 9.33 H new ATOM 277 N PHE A 40 21.028 -12.639 -5.807 1.00 8.06 N ATOM 278 CA PHE A 40 20.329 -12.524 -4.527 1.00 7.95 C ATOM 279 C PHE A 40 19.914 -11.063 -4.371 1.00 10.77 C ATOM 280 O PHE A 40 20.771 -10.195 -4.173 1.00 10.57 O ATOM 281 CB PHE A 40 21.223 -12.942 -3.360 1.00 9.75 C ATOM 282 CG PHE A 40 21.604 -14.406 -3.327 1.00 9.05 C ATOM 283 CD1 PHE A 40 21.077 -15.320 -4.217 1.00 10.95 C ATOM 284 CD2 PHE A 40 22.492 -14.854 -2.350 1.00 10.80 C ATOM 285 CE1 PHE A 40 21.444 -16.673 -4.147 1.00 9.57 C ATOM 286 CE2 PHE A 40 22.861 -16.190 -2.274 1.00 10.52 C ATOM 287 CZ PHE A 40 22.347 -17.103 -3.181 1.00 10.22 C ATOM 0 H PHE A 40 21.854 -12.402 -5.776 1.00 8.06 H new ATOM 0 HA PHE A 40 19.558 -13.113 -4.518 1.00 7.95 H new ATOM 0 HB2 PHE A 40 22.035 -12.413 -3.389 1.00 9.75 H new ATOM 0 HB3 PHE A 40 20.770 -12.722 -2.531 1.00 9.75 H new ATOM 0 HD1 PHE A 40 20.475 -15.038 -4.867 1.00 10.95 H new ATOM 0 HD2 PHE A 40 22.843 -14.247 -1.739 1.00 10.80 H new ATOM 0 HE1 PHE A 40 21.082 -17.283 -4.748 1.00 9.57 H new ATOM 0 HE2 PHE A 40 23.453 -16.472 -1.615 1.00 10.52 H new ATOM 0 HZ PHE A 40 22.604 -17.996 -3.144 1.00 10.22 H new ATOM 288 N HIS A 41 18.613 -10.792 -4.468 1.00 10.44 N ATOM 289 CA HIS A 41 18.060 -9.442 -4.539 1.00 9.37 C ATOM 290 C HIS A 41 17.525 -8.967 -3.194 1.00 10.63 C ATOM 291 O HIS A 41 17.074 -9.766 -2.374 1.00 11.52 O ATOM 292 CB HIS A 41 16.908 -9.402 -5.540 1.00 10.27 C ATOM 293 CG HIS A 41 17.342 -9.270 -6.959 1.00 10.62 C ATOM 294 ND1 HIS A 41 17.480 -8.047 -7.578 1.00 12.66 N ATOM 295 CD2 HIS A 41 17.646 -10.206 -7.888 1.00 12.00 C ATOM 296 CE1 HIS A 41 17.858 -8.238 -8.831 1.00 13.12 C ATOM 297 NE2 HIS A 41 17.955 -9.538 -9.046 1.00 12.94 N ATOM 0 H HIS A 41 18.012 -11.406 -4.495 1.00 10.44 H new ATOM 0 HA HIS A 41 18.784 -8.858 -4.814 1.00 9.37 H new ATOM 0 HB2 HIS A 41 16.382 -10.212 -5.446 1.00 10.27 H new ATOM 0 HB3 HIS A 41 16.326 -8.658 -5.319 1.00 10.27 H new ATOM 0 HD2 HIS A 41 17.646 -11.128 -7.765 1.00 12.00 H new ATOM 0 HE1 HIS A 41 18.027 -7.570 -9.455 1.00 13.12 H new ATOM 0 HE2 HIS A 41 18.176 -9.906 -9.791 1.00 12.94 H new ATOM 298 N THR A 42 17.524 -7.647 -3.003 1.00 10.84 N ATOM 299 CA THR A 42 17.018 -7.074 -1.757 1.00 10.35 C ATOM 300 C THR A 42 15.512 -6.859 -1.756 1.00 13.80 C ATOM 301 O THR A 42 14.949 -6.598 -0.686 1.00 14.59 O ATOM 302 CB THR A 42 17.689 -5.729 -1.456 1.00 12.11 C ATOM 303 OG1 THR A 42 17.410 -4.806 -2.519 1.00 15.05 O ATOM 304 CG2 THR A 42 19.186 -5.901 -1.270 1.00 13.81 C ATOM 0 H THR A 42 17.809 -7.072 -3.576 1.00 10.84 H new ATOM 0 HA THR A 42 17.233 -7.728 -1.073 1.00 10.35 H new ATOM 0 HB THR A 42 17.329 -5.375 -0.628 1.00 12.11 H new ATOM 0 HG1 THR A 42 17.170 -4.069 -2.195 1.00 15.05 H new ATOM 0 HG21 THR A 42 19.590 -5.040 -1.081 1.00 13.81 H new ATOM 0 HG22 THR A 42 19.353 -6.505 -0.530 1.00 13.81 H new ATOM 0 HG23 THR A 42 19.573 -6.268 -2.080 1.00 13.81 H new ATOM 305 N GLU A 43 14.854 -6.905 -2.912 1.00 11.72 N ATOM 306 CA GLU A 43 13.409 -6.734 -2.982 1.00 12.96 C ATOM 307 C GLU A 43 12.859 -7.670 -4.044 1.00 14.45 C ATOM 308 O GLU A 43 13.601 -8.237 -4.844 1.00 15.48 O ATOM 309 CB GLU A 43 13.008 -5.283 -3.301 1.00 17.09 C ATOM 310 CG GLU A 43 13.530 -4.216 -2.321 1.00 17.15 C ATOM 311 CD GLU A 43 12.866 -4.283 -0.940 1.00 24.89 C ATOM 312 OE1 GLU A 43 11.780 -4.895 -0.811 1.00 28.65 O ATOM 313 OE2 GLU A 43 13.436 -3.717 0.020 1.00 28.75 O ATOM 0 H GLU A 43 15.232 -7.036 -3.673 1.00 11.72 H new ATOM 0 HA GLU A 43 13.035 -6.946 -2.112 1.00 12.96 H new ATOM 0 HB2 GLU A 43 13.327 -5.065 -4.191 1.00 17.09 H new ATOM 0 HB3 GLU A 43 12.040 -5.230 -3.325 1.00 17.09 H new ATOM 0 HG2 GLU A 43 14.489 -4.323 -2.217 1.00 17.15 H new ATOM 0 HG3 GLU A 43 13.382 -3.336 -2.702 1.00 17.15 H new ATOM 314 N MET A 44 11.535 -7.813 -4.052 1.00 15.81 N ATOM 315 CA MET A 44 10.811 -8.629 -5.027 1.00 18.42 C ATOM 316 C MET A 44 10.613 -7.904 -6.349 1.00 24.42 C ATOM 317 O MET A 44 9.537 -7.974 -6.951 1.00 29.00 O ATOM 318 CB MET A 44 9.464 -9.044 -4.435 1.00 22.09 C ATOM 319 CG MET A 44 9.566 -9.993 -3.270 1.00 27.74 C ATOM 320 SD MET A 44 10.186 -11.604 -3.772 1.00 28.20 S ATOM 321 CE MET A 44 9.048 -12.140 -5.027 1.00 33.62 C ATOM 0 H MET A 44 11.021 -7.430 -3.478 1.00 15.81 H new ATOM 0 HA MET A 44 11.344 -9.417 -5.217 1.00 18.42 H new ATOM 0 HB2 MET A 44 8.989 -8.248 -4.150 1.00 22.09 H new ATOM 0 HB3 MET A 44 8.931 -9.459 -5.131 1.00 22.09 H new ATOM 0 HG2 MET A 44 10.153 -9.616 -2.596 1.00 27.74 H new ATOM 0 HG3 MET A 44 8.693 -10.096 -2.860 1.00 27.74 H new ATOM 0 HE1 MET A 44 9.132 -13.098 -5.152 1.00 33.62 H new ATOM 0 HE2 MET A 44 8.142 -11.928 -4.754 1.00 33.62 H new ATOM 0 HE3 MET A 44 9.248 -11.687 -5.861 1.00 33.62 H new ATOM 322 N LYS A 45 11.616 -7.156 -6.782 1.00 16.57 N ATOM 323 CA LYS A 45 11.621 -6.492 -8.072 1.00 17.62 C ATOM 324 C LYS A 45 12.966 -6.751 -8.726 1.00 16.31 C ATOM 325 O LYS A 45 14.001 -6.671 -8.067 1.00 14.19 O ATOM 326 CB LYS A 45 11.397 -4.981 -7.949 1.00 20.73 C ATOM 327 CG LYS A 45 10.055 -4.593 -7.364 1.00 31.28 C ATOM 328 CD LYS A 45 10.055 -3.153 -6.877 1.00 43.73 C ATOM 329 CE LYS A 45 8.710 -2.781 -6.262 1.00 48.15 C ATOM 330 NZ LYS A 45 7.553 -3.183 -7.120 1.00 45.18 N ATOM 0 H LYS A 45 12.329 -7.018 -6.322 1.00 16.57 H new ATOM 0 HA LYS A 45 10.892 -6.846 -8.605 1.00 17.62 H new ATOM 0 HB2 LYS A 45 12.100 -4.605 -7.396 1.00 20.73 H new ATOM 0 HB3 LYS A 45 11.483 -4.580 -8.828 1.00 20.73 H new ATOM 0 HG2 LYS A 45 9.363 -4.709 -8.034 1.00 31.28 H new ATOM 0 HG3 LYS A 45 9.839 -5.185 -6.627 1.00 31.28 H new ATOM 0 HD2 LYS A 45 10.759 -3.030 -6.221 1.00 43.73 H new ATOM 0 HD3 LYS A 45 10.251 -2.558 -7.618 1.00 43.73 H new ATOM 0 HE2 LYS A 45 8.627 -3.205 -5.394 1.00 48.15 H new ATOM 0 HE3 LYS A 45 8.680 -1.823 -6.113 1.00 48.15 H new ATOM 0 HZ1 LYS A 45 6.815 -2.776 -6.833 1.00 45.18 H new ATOM 0 HZ2 LYS A 45 7.713 -2.947 -7.963 1.00 45.18 H new ATOM 0 HZ3 LYS A 45 7.442 -4.065 -7.075 1.00 45.18 H new ATOM 331 N GLU A 46 12.956 -7.037 -10.030 1.00 16.05 N ATOM 332 CA GLU A 46 14.211 -7.384 -10.693 1.00 14.45 C ATOM 333 C GLU A 46 15.203 -6.223 -10.740 1.00 14.55 C ATOM 334 O GLU A 46 16.412 -6.462 -10.853 1.00 13.69 O ATOM 335 CB GLU A 46 13.924 -7.895 -12.109 1.00 17.55 C ATOM 336 CG GLU A 46 13.296 -6.879 -13.036 1.00 17.38 C ATOM 337 CD GLU A 46 13.346 -7.321 -14.490 1.00 26.20 C ATOM 338 OE1 GLU A 46 14.442 -7.654 -14.972 1.00 23.99 O ATOM 339 OE2 GLU A 46 12.288 -7.350 -15.145 1.00 28.95 O ATOM 0 H GLU A 46 12.258 -7.036 -10.533 1.00 16.05 H new ATOM 0 HA GLU A 46 14.629 -8.083 -10.166 1.00 14.45 H new ATOM 0 HB2 GLU A 46 14.755 -8.203 -12.503 1.00 17.55 H new ATOM 0 HB3 GLU A 46 13.337 -8.665 -12.048 1.00 17.55 H new ATOM 0 HG2 GLU A 46 12.373 -6.733 -12.776 1.00 17.38 H new ATOM 0 HG3 GLU A 46 13.755 -6.030 -12.942 1.00 17.38 H new ATOM 340 N GLU A 47 14.737 -4.980 -10.640 1.00 14.16 N ATOM 341 CA GLU A 47 15.637 -3.836 -10.673 1.00 15.60 C ATOM 342 C GLU A 47 16.215 -3.506 -9.304 1.00 13.14 C ATOM 343 O GLU A 47 16.991 -2.552 -9.186 1.00 14.55 O ATOM 344 CB GLU A 47 14.912 -2.614 -11.249 1.00 19.92 C ATOM 345 CG GLU A 47 13.873 -2.017 -10.323 1.00 21.62 C ATOM 346 CD GLU A 47 12.472 -2.615 -10.508 1.00 31.90 C ATOM 347 OE1 GLU A 47 12.326 -3.705 -11.119 1.00 22.33 O ATOM 348 OE2 GLU A 47 11.504 -1.975 -10.037 1.00 37.56 O ATOM 0 H GLU A 47 13.905 -4.780 -10.553 1.00 14.16 H new ATOM 0 HA GLU A 47 16.383 -4.075 -11.246 1.00 15.60 H new ATOM 0 HB2 GLU A 47 15.568 -1.933 -11.465 1.00 19.92 H new ATOM 0 HB3 GLU A 47 14.482 -2.868 -12.081 1.00 19.92 H new ATOM 0 HG2 GLU A 47 14.155 -2.150 -9.404 1.00 21.62 H new ATOM 0 HG3 GLU A 47 13.830 -1.059 -10.471 1.00 21.62 H new ATOM 349 N SER A 48 15.881 -4.286 -8.278 1.00 12.50 N ATOM 350 CA SER A 48 16.362 -4.009 -6.933 1.00 11.94 C ATOM 351 C SER A 48 17.848 -4.353 -6.796 1.00 11.81 C ATOM 352 O SER A 48 18.450 -5.022 -7.643 1.00 12.47 O ATOM 353 CB SER A 48 15.542 -4.789 -5.903 1.00 12.50 C ATOM 354 OG SER A 48 15.801 -6.188 -5.969 1.00 14.19 O ATOM 0 H SER A 48 15.377 -4.980 -8.343 1.00 12.50 H new ATOM 0 HA SER A 48 16.255 -3.059 -6.767 1.00 11.94 H new ATOM 0 HB2 SER A 48 15.748 -4.464 -5.013 1.00 12.50 H new ATOM 0 HB3 SER A 48 14.597 -4.628 -6.053 1.00 12.50 H new ATOM 0 HG SER A 48 15.329 -6.532 -6.572 1.00 14.19 H new ATOM 355 N ASP A 49 18.430 -3.892 -5.694 1.00 10.59 N ATOM 356 CA ASP A 49 19.839 -4.122 -5.415 1.00 10.73 C ATOM 357 C ASP A 49 20.134 -5.615 -5.316 1.00 9.67 C ATOM 358 O ASP A 49 19.252 -6.448 -5.060 1.00 9.75 O ATOM 359 CB ASP A 49 20.239 -3.421 -4.115 1.00 10.35 C ATOM 360 CG ASP A 49 20.412 -1.927 -4.298 1.00 12.33 C ATOM 361 OD1 ASP A 49 20.333 -1.449 -5.456 1.00 14.46 O ATOM 362 OD2 ASP A 49 20.614 -1.221 -3.278 1.00 15.80 O ATOM 0 H ASP A 49 18.019 -3.439 -5.090 1.00 10.59 H new ATOM 0 HA ASP A 49 20.359 -3.755 -6.147 1.00 10.73 H new ATOM 0 HB2 ASP A 49 19.563 -3.586 -3.440 1.00 10.35 H new ATOM 0 HB3 ASP A 49 21.068 -3.803 -3.786 1.00 10.35 H new ATOM 363 N ILE A 50 21.397 -5.955 -5.542 1.00 9.48 N ATOM 364 CA ILE A 50 21.834 -7.342 -5.570 1.00 8.05 C ATOM 365 C ILE A 50 22.951 -7.497 -4.554 1.00 10.95 C ATOM 366 O ILE A 50 24.028 -6.914 -4.707 1.00 11.17 O ATOM 367 CB ILE A 50 22.291 -7.764 -6.969 1.00 9.58 C ATOM 368 CG1 ILE A 50 21.095 -7.746 -7.919 1.00 11.19 C ATOM 369 CG2 ILE A 50 22.880 -9.178 -6.922 1.00 9.90 C ATOM 370 CD1 ILE A 50 21.470 -7.845 -9.365 1.00 11.31 C ATOM 0 H ILE A 50 22.026 -5.385 -5.684 1.00 9.48 H new ATOM 0 HA ILE A 50 21.092 -7.924 -5.342 1.00 8.05 H new ATOM 0 HB ILE A 50 22.969 -7.146 -7.283 1.00 9.58 H new ATOM 0 HG12 ILE A 50 20.504 -8.482 -7.696 1.00 11.19 H new ATOM 0 HG13 ILE A 50 20.594 -6.927 -7.779 1.00 11.19 H new ATOM 0 HG21 ILE A 50 23.167 -9.439 -7.811 1.00 9.90 H new ATOM 0 HG22 ILE A 50 23.640 -9.192 -6.320 1.00 9.90 H new ATOM 0 HG23 ILE A 50 22.206 -9.799 -6.605 1.00 9.90 H new ATOM 0 HD11 ILE A 50 20.667 -7.828 -9.910 1.00 11.31 H new ATOM 0 HD12 ILE A 50 22.038 -7.096 -9.604 1.00 11.31 H new ATOM 0 HD13 ILE A 50 21.947 -8.675 -9.520 1.00 11.31 H new ATOM 371 N VAL A 51 22.684 -8.281 -3.511 1.00 9.47 N ATOM 372 CA VAL A 51 23.658 -8.541 -2.461 1.00 10.84 C ATOM 373 C VAL A 51 24.769 -9.458 -2.972 1.00 9.87 C ATOM 374 O VAL A 51 25.936 -9.335 -2.578 1.00 12.21 O ATOM 375 CB VAL A 51 22.911 -9.158 -1.263 1.00 16.59 C ATOM 376 CG1 VAL A 51 23.849 -9.627 -0.217 1.00 23.86 C ATOM 377 CG2 VAL A 51 21.924 -8.159 -0.680 1.00 14.26 C ATOM 0 H VAL A 51 21.929 -8.677 -3.395 1.00 9.47 H new ATOM 0 HA VAL A 51 24.086 -7.717 -2.182 1.00 10.84 H new ATOM 0 HB VAL A 51 22.422 -9.930 -1.588 1.00 16.59 H new ATOM 0 HG11 VAL A 51 23.347 -10.009 0.520 1.00 23.86 H new ATOM 0 HG12 VAL A 51 24.439 -10.301 -0.590 1.00 23.86 H new ATOM 0 HG13 VAL A 51 24.376 -8.879 0.104 1.00 23.86 H new ATOM 0 HG21 VAL A 51 21.462 -8.561 0.072 1.00 14.26 H new ATOM 0 HG22 VAL A 51 22.401 -7.369 -0.381 1.00 14.26 H new ATOM 0 HG23 VAL A 51 21.278 -7.908 -1.359 1.00 14.26 H new ATOM 378 N PHE A 52 24.419 -10.401 -3.842 1.00 10.57 N ATOM 379 CA PHE A 52 25.379 -11.343 -4.399 1.00 8.99 C ATOM 380 C PHE A 52 24.946 -11.650 -5.823 1.00 10.77 C ATOM 381 O PHE A 52 23.835 -12.152 -6.036 1.00 9.58 O ATOM 382 CB PHE A 52 25.444 -12.620 -3.558 1.00 11.64 C ATOM 383 CG PHE A 52 26.376 -13.665 -4.102 1.00 11.98 C ATOM 384 CD1 PHE A 52 27.667 -13.336 -4.482 1.00 14.56 C ATOM 385 CD2 PHE A 52 25.959 -14.978 -4.220 1.00 13.84 C ATOM 386 CE1 PHE A 52 28.532 -14.313 -4.976 1.00 13.07 C ATOM 387 CE2 PHE A 52 26.817 -15.953 -4.707 1.00 15.63 C ATOM 388 CZ PHE A 52 28.103 -15.620 -5.080 1.00 14.46 C ATOM 0 H PHE A 52 23.615 -10.511 -4.126 1.00 10.57 H new ATOM 0 HA PHE A 52 26.270 -10.959 -4.394 1.00 8.99 H new ATOM 0 HB2 PHE A 52 25.722 -12.389 -2.658 1.00 11.64 H new ATOM 0 HB3 PHE A 52 24.553 -12.998 -3.492 1.00 11.64 H new ATOM 0 HD1 PHE A 52 27.960 -12.456 -4.407 1.00 14.56 H new ATOM 0 HD2 PHE A 52 25.094 -15.210 -3.970 1.00 13.84 H new ATOM 0 HE1 PHE A 52 29.395 -14.084 -5.234 1.00 13.07 H new ATOM 0 HE2 PHE A 52 26.525 -16.833 -4.782 1.00 15.63 H new ATOM 0 HZ PHE A 52 28.679 -16.275 -5.401 1.00 14.46 H new ATOM 389 N HIS A 53 25.816 -11.322 -6.774 1.00 8.70 N ATOM 390 CA HIS A 53 25.623 -11.552 -8.203 1.00 10.84 C ATOM 391 C HIS A 53 26.673 -12.576 -8.609 1.00 10.71 C ATOM 392 O HIS A 53 27.857 -12.385 -8.323 1.00 10.60 O ATOM 393 CB HIS A 53 25.777 -10.224 -8.958 1.00 11.07 C ATOM 394 CG HIS A 53 26.111 -10.341 -10.419 1.00 11.27 C ATOM 395 ND1 HIS A 53 25.164 -10.631 -11.380 1.00 12.54 N ATOM 396 CD2 HIS A 53 27.268 -10.113 -11.087 1.00 12.03 C ATOM 397 CE1 HIS A 53 25.731 -10.600 -12.577 1.00 12.93 C ATOM 398 NE2 HIS A 53 27.006 -10.286 -12.427 1.00 14.68 N ATOM 0 H HIS A 53 26.567 -10.943 -6.596 1.00 8.70 H new ATOM 0 HA HIS A 53 24.738 -11.887 -8.414 1.00 10.84 H new ATOM 0 HB2 HIS A 53 24.951 -9.723 -8.871 1.00 11.07 H new ATOM 0 HB3 HIS A 53 26.471 -9.703 -8.525 1.00 11.07 H new ATOM 0 HD1 HIS A 53 24.336 -10.805 -11.226 1.00 12.54 H new ATOM 0 HD2 HIS A 53 28.086 -9.883 -10.710 1.00 12.03 H new ATOM 0 HE1 HIS A 53 25.304 -10.770 -13.386 1.00 12.93 H new ATOM 399 N PHE A 54 26.232 -13.683 -9.208 1.00 10.84 N ATOM 400 CA PHE A 54 27.100 -14.798 -9.594 1.00 8.78 C ATOM 401 C PHE A 54 26.810 -15.093 -11.059 1.00 10.10 C ATOM 402 O PHE A 54 25.711 -15.543 -11.393 1.00 11.63 O ATOM 403 CB PHE A 54 26.827 -16.017 -8.701 1.00 10.31 C ATOM 404 CG PHE A 54 27.605 -17.251 -9.063 1.00 9.14 C ATOM 405 CD1 PHE A 54 28.932 -17.399 -8.665 1.00 12.88 C ATOM 406 CD2 PHE A 54 26.997 -18.287 -9.759 1.00 11.67 C ATOM 407 CE1 PHE A 54 29.641 -18.554 -8.972 1.00 12.83 C ATOM 408 CE2 PHE A 54 27.696 -19.449 -10.063 1.00 13.23 C ATOM 409 CZ PHE A 54 29.022 -19.580 -9.676 1.00 12.54 C ATOM 0 H PHE A 54 25.405 -13.809 -9.405 1.00 10.84 H new ATOM 0 HA PHE A 54 28.038 -14.577 -9.480 1.00 8.78 H new ATOM 0 HB2 PHE A 54 27.029 -15.781 -7.782 1.00 10.31 H new ATOM 0 HB3 PHE A 54 25.880 -16.224 -8.739 1.00 10.31 H new ATOM 0 HD1 PHE A 54 29.348 -16.717 -8.189 1.00 12.88 H new ATOM 0 HD2 PHE A 54 26.110 -18.202 -10.025 1.00 11.67 H new ATOM 0 HE1 PHE A 54 30.528 -18.640 -8.707 1.00 12.83 H new ATOM 0 HE2 PHE A 54 27.276 -20.138 -10.525 1.00 13.23 H new ATOM 0 HZ PHE A 54 29.495 -20.352 -9.887 1.00 12.54 H new ATOM 410 N GLN A 55 27.791 -14.820 -11.930 1.00 10.04 N ATOM 411 CA GLN A 55 27.556 -14.981 -13.384 1.00 9.93 C ATOM 412 C GLN A 55 28.642 -15.851 -14.008 1.00 12.38 C ATOM 413 O GLN A 55 29.786 -15.474 -13.948 1.00 14.41 O ATOM 414 CB GLN A 55 27.521 -13.614 -14.056 1.00 11.81 C ATOM 415 CG GLN A 55 27.206 -13.674 -15.528 1.00 15.41 C ATOM 416 CD GLN A 55 27.484 -12.318 -16.088 1.00 19.76 C ATOM 417 OE1 GLN A 55 28.545 -12.080 -16.616 1.00 22.09 O ATOM 418 NE2 GLN A 55 26.604 -11.395 -15.819 1.00 20.67 N ATOM 0 H GLN A 55 28.578 -14.548 -11.714 1.00 10.04 H new ATOM 0 HA GLN A 55 26.701 -15.420 -13.516 1.00 9.93 H new ATOM 0 HB2 GLN A 55 26.858 -13.061 -13.613 1.00 11.81 H new ATOM 0 HB3 GLN A 55 28.380 -13.180 -13.934 1.00 11.81 H new ATOM 0 HG2 GLN A 55 27.750 -14.346 -15.968 1.00 15.41 H new ATOM 0 HG3 GLN A 55 26.279 -13.921 -15.671 1.00 15.41 H new ATOM 0 HE21 GLN A 55 25.860 -11.607 -15.442 1.00 20.67 H new ATOM 0 HE22 GLN A 55 26.767 -10.574 -16.018 1.00 20.67 H new ATOM 419 N VAL A 56 28.216 -16.981 -14.553 1.00 10.50 N ATOM 420 CA VAL A 56 29.122 -17.932 -15.197 1.00 12.08 C ATOM 421 C VAL A 56 29.038 -17.740 -16.702 1.00 12.86 C ATOM 422 O VAL A 56 27.942 -17.772 -17.275 1.00 14.12 O ATOM 423 CB VAL A 56 28.759 -19.384 -14.833 1.00 12.52 C ATOM 424 CG1 VAL A 56 29.764 -20.352 -15.455 1.00 15.99 C ATOM 425 CG2 VAL A 56 28.680 -19.571 -13.333 1.00 17.48 C ATOM 0 H VAL A 56 27.391 -17.223 -14.562 1.00 10.50 H new ATOM 0 HA VAL A 56 30.026 -17.767 -14.885 1.00 12.08 H new ATOM 0 HB VAL A 56 27.881 -19.578 -15.196 1.00 12.52 H new ATOM 0 HG11 VAL A 56 29.525 -21.262 -15.219 1.00 15.99 H new ATOM 0 HG12 VAL A 56 29.752 -20.255 -16.420 1.00 15.99 H new ATOM 0 HG13 VAL A 56 30.653 -20.154 -15.121 1.00 15.99 H new ATOM 0 HG21 VAL A 56 28.450 -20.492 -13.133 1.00 17.48 H new ATOM 0 HG22 VAL A 56 29.538 -19.358 -12.935 1.00 17.48 H new ATOM 0 HG23 VAL A 56 28.000 -18.983 -12.969 1.00 17.48 H new ATOM 426 N CYS A 57 30.188 -17.543 -17.352 1.00 14.84 N ATOM 427 CA CYS A 57 30.306 -17.733 -18.798 1.00 16.52 C ATOM 428 C CYS A 57 30.933 -19.111 -18.972 1.00 14.13 C ATOM 429 O CYS A 57 32.136 -19.282 -18.757 1.00 14.92 O ATOM 430 CB CYS A 57 31.146 -16.641 -19.450 1.00 17.36 C ATOM 431 SG CYS A 57 31.264 -16.796 -21.263 1.00 37.91 S ATOM 0 H CYS A 57 30.917 -17.297 -16.968 1.00 14.84 H new ATOM 0 HA CYS A 57 29.442 -17.676 -19.235 1.00 16.52 H new ATOM 0 HB2 CYS A 57 30.765 -15.776 -19.231 1.00 17.36 H new ATOM 0 HB3 CYS A 57 32.039 -16.662 -19.072 1.00 17.36 H new ATOM 0 HG CYS A 57 31.691 -17.881 -21.545 1.00 37.91 H new ATOM 432 N PHE A 58 30.110 -20.102 -19.323 1.00 12.60 N ATOM 433 CA PHE A 58 30.555 -21.490 -19.265 1.00 13.29 C ATOM 434 C PHE A 58 31.742 -21.699 -20.192 1.00 14.82 C ATOM 435 O PHE A 58 31.709 -21.311 -21.364 1.00 15.64 O ATOM 436 CB PHE A 58 29.417 -22.440 -19.654 1.00 14.07 C ATOM 437 CG PHE A 58 28.363 -22.620 -18.584 1.00 12.86 C ATOM 438 CD1 PHE A 58 28.606 -23.411 -17.467 1.00 12.29 C ATOM 439 CD2 PHE A 58 27.114 -22.030 -18.720 1.00 12.79 C ATOM 440 CE1 PHE A 58 27.626 -23.588 -16.500 1.00 12.06 C ATOM 441 CE2 PHE A 58 26.129 -22.198 -17.753 1.00 12.22 C ATOM 442 CZ PHE A 58 26.384 -22.981 -16.639 1.00 12.29 C ATOM 0 H PHE A 58 29.301 -19.991 -19.594 1.00 12.60 H new ATOM 0 HA PHE A 58 30.824 -21.686 -18.354 1.00 13.29 H new ATOM 0 HB2 PHE A 58 28.992 -22.106 -20.459 1.00 14.07 H new ATOM 0 HB3 PHE A 58 29.794 -23.307 -19.871 1.00 14.07 H new ATOM 0 HD1 PHE A 58 29.433 -23.825 -17.367 1.00 12.29 H new ATOM 0 HD2 PHE A 58 26.933 -21.513 -19.471 1.00 12.79 H new ATOM 0 HE1 PHE A 58 27.802 -24.116 -15.755 1.00 12.06 H new ATOM 0 HE2 PHE A 58 25.301 -21.786 -17.854 1.00 12.22 H new ATOM 0 HZ PHE A 58 25.729 -23.099 -15.989 1.00 12.29 H new ATOM 443 N GLY A 59 32.789 -22.320 -19.656 1.00 14.07 N ATOM 444 CA GLY A 59 34.007 -22.563 -20.392 1.00 19.27 C ATOM 445 C GLY A 59 35.014 -21.434 -20.357 1.00 23.39 C ATOM 446 O GLY A 59 36.126 -21.605 -20.878 1.00 21.40 O ATOM 0 H GLY A 59 32.805 -22.612 -18.847 1.00 14.07 H new ATOM 0 HA2 GLY A 59 34.427 -23.363 -20.040 1.00 19.27 H new ATOM 0 HA3 GLY A 59 33.779 -22.746 -21.317 1.00 19.27 H new ATOM 447 N ARG A 60 34.669 -20.281 -19.771 1.00 18.24 N ATOM 448 CA ARG A 60 35.558 -19.123 -19.825 1.00 17.50 C ATOM 449 C ARG A 60 35.870 -18.521 -18.462 1.00 21.81 C ATOM 450 O ARG A 60 37.030 -18.480 -18.047 1.00 22.18 O ATOM 451 CB ARG A 60 34.960 -18.034 -20.702 1.00 19.89 C ATOM 452 CG ARG A 60 34.574 -18.516 -22.056 1.00 31.41 C ATOM 453 CD ARG A 60 34.299 -17.354 -23.004 1.00 43.06 C ATOM 454 NE ARG A 60 34.998 -16.121 -22.641 1.00 53.09 N ATOM 455 CZ ARG A 60 34.406 -15.003 -22.222 1.00 55.86 C ATOM 456 NH1 ARG A 60 33.094 -14.946 -22.049 1.00 56.35 N ATOM 457 NH2 ARG A 60 35.141 -13.952 -21.910 1.00 57.47 N ATOM 0 H ARG A 60 33.934 -20.153 -19.344 1.00 18.24 H new ATOM 0 HA ARG A 60 36.390 -19.456 -20.196 1.00 17.50 H new ATOM 0 HB2 ARG A 60 34.178 -17.665 -20.262 1.00 19.89 H new ATOM 0 HB3 ARG A 60 35.601 -17.312 -20.793 1.00 19.89 H new ATOM 0 HG2 ARG A 60 35.283 -19.070 -22.418 1.00 31.41 H new ATOM 0 HG3 ARG A 60 33.784 -19.075 -21.989 1.00 31.41 H new ATOM 0 HD2 ARG A 60 34.559 -17.611 -23.902 1.00 43.06 H new ATOM 0 HD3 ARG A 60 33.345 -17.182 -23.023 1.00 43.06 H new ATOM 0 HE ARG A 60 35.856 -16.117 -22.703 1.00 53.09 H new ATOM 0 HH11 ARG A 60 32.609 -15.638 -22.208 1.00 56.35 H new ATOM 0 HH12 ARG A 60 32.727 -14.217 -21.778 1.00 56.35 H new ATOM 0 HH21 ARG A 60 35.997 -13.991 -21.978 1.00 57.47 H new ATOM 0 HH22 ARG A 60 34.763 -13.228 -21.639 1.00 57.47 H new ATOM 458 N ARG A 61 34.858 -18.005 -17.773 1.00 20.07 N ATOM 459 CA ARG A 61 35.134 -17.270 -16.548 1.00 17.96 C ATOM 460 C ARG A 61 33.870 -17.166 -15.710 1.00 14.39 C ATOM 461 O ARG A 61 32.757 -17.417 -16.179 1.00 16.44 O ATOM 462 CB ARG A 61 35.671 -15.867 -16.847 1.00 20.02 C ATOM 463 CG ARG A 61 34.668 -14.937 -17.502 1.00 27.69 C ATOM 464 CD ARG A 61 35.205 -13.518 -17.607 1.00 32.59 C ATOM 465 NE ARG A 61 34.176 -12.601 -18.087 1.00 46.77 N ATOM 466 CZ ARG A 61 34.201 -11.282 -17.912 1.00 44.82 C ATOM 467 NH1 ARG A 61 35.211 -10.707 -17.266 1.00 42.42 N ATOM 468 NH2 ARG A 61 33.209 -10.537 -18.382 1.00 49.02 N ATOM 0 H ARG A 61 34.028 -18.067 -17.990 1.00 20.07 H new ATOM 0 HA ARG A 61 35.814 -17.756 -16.055 1.00 17.96 H new ATOM 0 HB2 ARG A 61 35.974 -15.465 -16.018 1.00 20.02 H new ATOM 0 HB3 ARG A 61 36.447 -15.946 -17.424 1.00 20.02 H new ATOM 0 HG2 ARG A 61 34.450 -15.267 -18.387 1.00 27.69 H new ATOM 0 HG3 ARG A 61 33.845 -14.935 -16.989 1.00 27.69 H new ATOM 0 HD2 ARG A 61 35.524 -13.225 -16.739 1.00 32.59 H new ATOM 0 HD3 ARG A 61 35.965 -13.500 -18.210 1.00 32.59 H new ATOM 0 HE ARG A 61 33.508 -12.936 -18.512 1.00 46.77 H new ATOM 0 HH11 ARG A 61 35.854 -11.188 -16.958 1.00 42.42 H new ATOM 0 HH12 ARG A 61 35.221 -9.854 -17.156 1.00 42.42 H new ATOM 0 HH21 ARG A 61 32.553 -10.907 -18.798 1.00 49.02 H new ATOM 0 HH22 ARG A 61 33.222 -9.684 -18.271 1.00 49.02 H new ATOM 469 N VAL A 62 34.063 -16.741 -14.466 1.00 14.65 N ATOM 470 CA VAL A 62 32.973 -16.432 -13.553 1.00 14.10 C ATOM 471 C VAL A 62 33.240 -15.051 -12.983 1.00 14.67 C ATOM 472 O VAL A 62 34.380 -14.729 -12.635 1.00 16.12 O ATOM 473 CB VAL A 62 32.862 -17.477 -12.426 1.00 14.11 C ATOM 474 CG1 VAL A 62 31.844 -17.044 -11.379 1.00 16.09 C ATOM 475 CG2 VAL A 62 32.491 -18.846 -13.019 1.00 15.92 C ATOM 0 H VAL A 62 34.844 -16.623 -14.125 1.00 14.65 H new ATOM 0 HA VAL A 62 32.128 -16.451 -14.028 1.00 14.10 H new ATOM 0 HB VAL A 62 33.723 -17.551 -11.985 1.00 14.11 H new ATOM 0 HG11 VAL A 62 31.791 -17.716 -10.681 1.00 16.09 H new ATOM 0 HG12 VAL A 62 32.117 -16.197 -10.992 1.00 16.09 H new ATOM 0 HG13 VAL A 62 30.974 -16.943 -11.796 1.00 16.09 H new ATOM 0 HG21 VAL A 62 32.422 -19.500 -12.306 1.00 15.92 H new ATOM 0 HG22 VAL A 62 31.640 -18.780 -13.479 1.00 15.92 H new ATOM 0 HG23 VAL A 62 33.177 -19.123 -13.647 1.00 15.92 H new ATOM 476 N VAL A 63 32.200 -14.228 -12.903 1.00 12.79 N ATOM 477 CA VAL A 63 32.312 -12.921 -12.267 1.00 14.24 C ATOM 478 C VAL A 63 31.304 -12.845 -11.134 1.00 12.86 C ATOM 479 O VAL A 63 30.197 -13.389 -11.219 1.00 14.18 O ATOM 480 CB VAL A 63 32.117 -11.755 -13.256 1.00 18.55 C ATOM 481 CG1 VAL A 63 33.135 -11.852 -14.392 1.00 19.13 C ATOM 482 CG2 VAL A 63 30.703 -11.724 -13.798 1.00 14.08 C ATOM 0 H VAL A 63 31.418 -14.409 -13.212 1.00 12.79 H new ATOM 0 HA VAL A 63 33.214 -12.827 -11.922 1.00 14.24 H new ATOM 0 HB VAL A 63 32.264 -10.924 -12.778 1.00 18.55 H new ATOM 0 HG11 VAL A 63 33.004 -11.114 -15.008 1.00 19.13 H new ATOM 0 HG12 VAL A 63 34.033 -11.812 -14.027 1.00 19.13 H new ATOM 0 HG13 VAL A 63 33.015 -12.691 -14.863 1.00 19.13 H new ATOM 0 HG21 VAL A 63 30.609 -10.982 -14.416 1.00 14.08 H new ATOM 0 HG22 VAL A 63 30.515 -12.556 -14.261 1.00 14.08 H new ATOM 0 HG23 VAL A 63 30.078 -11.614 -13.065 1.00 14.08 H new ATOM 483 N MET A 64 31.715 -12.198 -10.048 1.00 13.04 N ATOM 484 CA MET A 64 30.855 -11.981 -8.896 1.00 12.04 C ATOM 485 C MET A 64 30.908 -10.506 -8.531 1.00 13.31 C ATOM 486 O MET A 64 31.933 -9.841 -8.713 1.00 13.85 O ATOM 487 CB MET A 64 31.267 -12.836 -7.691 1.00 12.70 C ATOM 488 CG MET A 64 30.947 -14.315 -7.901 1.00 13.35 C ATOM 489 SD MET A 64 31.848 -15.365 -6.763 1.00 17.12 S ATOM 490 CE MET A 64 33.504 -15.261 -7.436 1.00 24.59 C ATOM 0 H MET A 64 32.506 -11.872 -9.961 1.00 13.04 H new ATOM 0 HA MET A 64 29.952 -12.247 -9.131 1.00 12.04 H new ATOM 0 HB2 MET A 64 32.218 -12.731 -7.532 1.00 12.70 H new ATOM 0 HB3 MET A 64 30.810 -12.517 -6.898 1.00 12.70 H new ATOM 0 HG2 MET A 64 29.994 -14.458 -7.787 1.00 13.35 H new ATOM 0 HG3 MET A 64 31.164 -14.566 -8.812 1.00 13.35 H new ATOM 0 HE1 MET A 64 33.801 -16.145 -7.704 1.00 24.59 H new ATOM 0 HE2 MET A 64 33.504 -14.673 -8.207 1.00 24.59 H new ATOM 0 HE3 MET A 64 34.106 -14.909 -6.762 1.00 24.59 H new ATOM 491 N ASN A 65 29.791 -9.991 -8.032 1.00 9.71 N ATOM 492 CA ASN A 65 29.728 -8.569 -7.706 1.00 9.83 C ATOM 493 C ASN A 65 28.520 -8.336 -6.812 1.00 12.68 C ATOM 494 O ASN A 65 27.771 -9.259 -6.492 1.00 11.23 O ATOM 495 CB ASN A 65 29.646 -7.713 -8.973 1.00 11.62 C ATOM 496 CG ASN A 65 30.233 -6.319 -8.793 1.00 13.19 C ATOM 497 OD1 ASN A 65 30.412 -5.839 -7.677 1.00 12.89 O ATOM 498 ND2 ASN A 65 30.545 -5.669 -9.910 1.00 15.67 N ATOM 0 H ASN A 65 29.071 -10.435 -7.876 1.00 9.71 H new ATOM 0 HA ASN A 65 30.537 -8.306 -7.241 1.00 9.83 H new ATOM 0 HB2 ASN A 65 30.114 -8.165 -9.692 1.00 11.62 H new ATOM 0 HB3 ASN A 65 28.718 -7.634 -9.244 1.00 11.62 H new ATOM 0 HD21 ASN A 65 30.886 -4.881 -9.868 1.00 15.67 H new ATOM 0 HD22 ASN A 65 30.405 -6.037 -10.675 1.00 15.67 H new ATOM 499 N SER A 66 28.337 -7.079 -6.419 1.00 11.56 N ATOM 500 CA SER A 66 27.095 -6.614 -5.826 1.00 11.29 C ATOM 501 C SER A 66 26.621 -5.390 -6.599 1.00 11.91 C ATOM 502 O SER A 66 27.406 -4.711 -7.262 1.00 13.07 O ATOM 503 CB SER A 66 27.285 -6.269 -4.339 1.00 11.39 C ATOM 504 OG SER A 66 28.362 -5.349 -4.196 1.00 12.56 O ATOM 0 H SER A 66 28.938 -6.468 -6.491 1.00 11.56 H new ATOM 0 HA SER A 66 26.430 -7.319 -5.877 1.00 11.29 H new ATOM 0 HB2 SER A 66 26.470 -5.885 -3.980 1.00 11.39 H new ATOM 0 HB3 SER A 66 27.467 -7.075 -3.831 1.00 11.39 H new ATOM 0 HG SER A 66 28.203 -4.828 -3.557 1.00 12.56 H new ATOM 505 N ARG A 67 25.322 -5.113 -6.522 1.00 10.93 N ATOM 506 CA ARG A 67 24.756 -3.888 -7.070 1.00 9.39 C ATOM 507 C ARG A 67 24.083 -3.157 -5.917 1.00 11.28 C ATOM 508 O ARG A 67 23.114 -3.658 -5.338 1.00 10.78 O ATOM 509 CB ARG A 67 23.775 -4.182 -8.209 1.00 11.21 C ATOM 510 CG ARG A 67 23.299 -2.907 -8.914 1.00 10.90 C ATOM 511 CD ARG A 67 22.519 -3.211 -10.192 1.00 12.24 C ATOM 512 NE ARG A 67 21.204 -3.776 -9.900 1.00 11.94 N ATOM 513 CZ ARG A 67 20.536 -4.585 -10.718 1.00 11.03 C ATOM 514 NH1 ARG A 67 21.071 -4.938 -11.881 1.00 12.82 N ATOM 515 NH2 ARG A 67 19.337 -5.052 -10.374 1.00 11.50 N ATOM 0 H ARG A 67 24.745 -5.631 -6.150 1.00 10.93 H new ATOM 0 HA ARG A 67 25.451 -3.335 -7.460 1.00 9.39 H new ATOM 0 HB2 ARG A 67 24.200 -4.767 -8.856 1.00 11.21 H new ATOM 0 HB3 ARG A 67 23.008 -4.659 -7.856 1.00 11.21 H new ATOM 0 HG2 ARG A 67 22.739 -2.395 -8.310 1.00 10.90 H new ATOM 0 HG3 ARG A 67 24.066 -2.353 -9.129 1.00 10.90 H new ATOM 0 HD2 ARG A 67 22.414 -2.397 -10.709 1.00 12.24 H new ATOM 0 HD3 ARG A 67 23.024 -3.832 -10.740 1.00 12.24 H new ATOM 0 HE ARG A 67 20.837 -3.572 -9.149 1.00 11.94 H new ATOM 0 HH11 ARG A 67 21.848 -4.644 -12.104 1.00 12.82 H new ATOM 0 HH12 ARG A 67 20.641 -5.461 -12.411 1.00 12.82 H new ATOM 0 HH21 ARG A 67 18.990 -4.831 -9.619 1.00 11.50 H new ATOM 0 HH22 ARG A 67 18.910 -5.575 -10.907 1.00 11.50 H new ATOM 516 N GLU A 68 24.624 -1.998 -5.556 1.00 11.19 N ATOM 517 CA GLU A 68 24.227 -1.292 -4.345 1.00 11.51 C ATOM 518 C GLU A 68 23.747 0.100 -4.728 1.00 14.41 C ATOM 519 O GLU A 68 24.453 0.838 -5.430 1.00 14.73 O ATOM 520 CB GLU A 68 25.393 -1.234 -3.354 1.00 15.25 C ATOM 521 CG GLU A 68 26.020 -2.610 -3.106 1.00 14.15 C ATOM 522 CD GLU A 68 27.166 -2.593 -2.111 1.00 22.13 C ATOM 523 OE1 GLU A 68 27.226 -1.662 -1.275 1.00 21.09 O ATOM 524 OE2 GLU A 68 28.011 -3.519 -2.166 1.00 17.58 O ATOM 0 H GLU A 68 25.235 -1.598 -6.010 1.00 11.19 H new ATOM 0 HA GLU A 68 23.503 -1.764 -3.906 1.00 11.51 H new ATOM 0 HB2 GLU A 68 26.071 -0.629 -3.692 1.00 15.25 H new ATOM 0 HB3 GLU A 68 25.080 -0.868 -2.512 1.00 15.25 H new ATOM 0 HG2 GLU A 68 25.333 -3.215 -2.785 1.00 14.15 H new ATOM 0 HG3 GLU A 68 26.341 -2.966 -3.949 1.00 14.15 H new ATOM 525 N TYR A 69 22.538 0.437 -4.293 1.00 14.91 N ATOM 526 CA TYR A 69 21.863 1.666 -4.695 1.00 14.60 C ATOM 527 C TYR A 69 21.996 1.898 -6.195 1.00 15.84 C ATOM 528 O TYR A 69 22.320 2.990 -6.668 1.00 16.44 O ATOM 529 CB TYR A 69 22.365 2.845 -3.868 1.00 13.43 C ATOM 530 CG TYR A 69 21.700 2.766 -2.517 1.00 19.69 C ATOM 531 CD1 TYR A 69 20.393 3.209 -2.357 1.00 20.65 C ATOM 532 CD2 TYR A 69 22.323 2.162 -1.447 1.00 23.46 C ATOM 533 CE1 TYR A 69 19.747 3.105 -1.145 1.00 23.64 C ATOM 534 CE2 TYR A 69 21.685 2.050 -0.211 1.00 19.53 C ATOM 535 CZ TYR A 69 20.397 2.523 -0.076 1.00 25.92 C ATOM 536 OH TYR A 69 19.731 2.426 1.125 1.00 25.39 O ATOM 0 H TYR A 69 22.081 -0.048 -3.749 1.00 14.91 H new ATOM 0 HA TYR A 69 20.914 1.577 -4.515 1.00 14.60 H new ATOM 0 HB2 TYR A 69 23.330 2.811 -3.776 1.00 13.43 H new ATOM 0 HB3 TYR A 69 22.151 3.684 -4.305 1.00 13.43 H new ATOM 0 HD1 TYR A 69 19.946 3.583 -3.082 1.00 20.65 H new ATOM 0 HD2 TYR A 69 23.183 1.823 -1.550 1.00 23.46 H new ATOM 0 HE1 TYR A 69 18.879 3.425 -1.048 1.00 23.64 H new ATOM 0 HE2 TYR A 69 22.123 1.662 0.512 1.00 19.53 H new ATOM 0 HH TYR A 69 20.228 2.056 1.692 1.00 25.39 H new ATOM 537 N GLY A 70 21.752 0.816 -6.944 1.00 13.90 N ATOM 538 CA GLY A 70 21.682 0.838 -8.386 1.00 16.11 C ATOM 539 C GLY A 70 23.004 0.709 -9.113 1.00 16.86 C ATOM 540 O GLY A 70 22.995 0.609 -10.347 1.00 18.40 O ATOM 0 H GLY A 70 21.621 0.035 -6.608 1.00 13.90 H new ATOM 0 HA2 GLY A 70 21.101 0.117 -8.676 1.00 16.11 H new ATOM 0 HA3 GLY A 70 21.261 1.668 -8.660 1.00 16.11 H new ATOM 541 N ALA A 71 24.133 0.720 -8.406 1.00 16.37 N ATOM 542 CA ALA A 71 25.447 0.797 -9.037 1.00 15.32 C ATOM 543 C ALA A 71 26.242 -0.472 -8.771 1.00 15.44 C ATOM 544 O ALA A 71 26.303 -0.944 -7.633 1.00 14.07 O ATOM 545 CB ALA A 71 26.228 2.010 -8.523 1.00 18.31 C ATOM 0 H ALA A 71 24.157 0.683 -7.547 1.00 16.37 H new ATOM 0 HA ALA A 71 25.313 0.893 -9.993 1.00 15.32 H new ATOM 0 HB1 ALA A 71 27.096 2.042 -8.954 1.00 18.31 H new ATOM 0 HB2 ALA A 71 25.736 2.821 -8.726 1.00 18.31 H new ATOM 0 HB3 ALA A 71 26.347 1.936 -7.563 1.00 18.31 H new ATOM 546 N TRP A 72 26.843 -1.023 -9.824 1.00 14.79 N ATOM 547 CA TRP A 72 27.718 -2.174 -9.662 1.00 16.43 C ATOM 548 C TRP A 72 28.971 -1.789 -8.883 1.00 15.05 C ATOM 549 O TRP A 72 29.538 -0.707 -9.072 1.00 16.68 O ATOM 550 CB TRP A 72 28.093 -2.742 -11.027 1.00 13.97 C ATOM 551 CG TRP A 72 26.947 -3.374 -11.751 1.00 14.34 C ATOM 552 CD1 TRP A 72 26.300 -2.884 -12.844 1.00 22.71 C ATOM 553 CD2 TRP A 72 26.325 -4.630 -11.447 1.00 18.31 C ATOM 554 NE1 TRP A 72 25.307 -3.750 -13.239 1.00 25.23 N ATOM 555 CE2 TRP A 72 25.303 -4.830 -12.397 1.00 24.34 C ATOM 556 CE3 TRP A 72 26.530 -5.598 -10.460 1.00 18.81 C ATOM 557 CZ2 TRP A 72 24.490 -5.967 -12.393 1.00 22.11 C ATOM 558 CZ3 TRP A 72 25.721 -6.728 -10.459 1.00 22.75 C ATOM 559 CH2 TRP A 72 24.716 -6.897 -11.414 1.00 20.49 C ATOM 0 H TRP A 72 26.756 -0.746 -10.633 1.00 14.79 H new ATOM 0 HA TRP A 72 27.245 -2.855 -9.159 1.00 16.43 H new ATOM 0 HB2 TRP A 72 28.458 -2.030 -11.575 1.00 13.97 H new ATOM 0 HB3 TRP A 72 28.796 -3.401 -10.912 1.00 13.97 H new ATOM 0 HD1 TRP A 72 26.501 -2.079 -13.264 1.00 22.71 H new ATOM 0 HE1 TRP A 72 24.776 -3.633 -13.905 1.00 25.23 H new ATOM 0 HE3 TRP A 72 27.194 -5.488 -9.818 1.00 18.81 H new ATOM 0 HZ2 TRP A 72 23.823 -6.087 -13.030 1.00 22.11 H new ATOM 0 HZ3 TRP A 72 25.851 -7.383 -9.811 1.00 22.75 H new ATOM 0 HH2 TRP A 72 24.187 -7.661 -11.384 1.00 20.49 H new ATOM 560 N LYS A 73 29.406 -2.679 -7.991 1.00 14.46 N ATOM 561 CA LYS A 73 30.594 -2.394 -7.195 1.00 15.92 C ATOM 562 C LYS A 73 31.816 -3.107 -7.770 1.00 16.77 C ATOM 563 O LYS A 73 31.929 -3.244 -8.993 1.00 15.84 O ATOM 564 CB LYS A 73 30.350 -2.763 -5.731 1.00 17.04 C ATOM 565 CG LYS A 73 29.176 -2.003 -5.130 1.00 19.13 C ATOM 566 CD LYS A 73 29.243 -0.520 -5.483 1.00 25.35 C ATOM 567 CE LYS A 73 30.068 0.240 -4.470 1.00 37.03 C ATOM 568 NZ LYS A 73 29.342 0.356 -3.176 1.00 33.15 N ATOM 0 H LYS A 73 29.035 -3.439 -7.835 1.00 14.46 H new ATOM 0 HA LYS A 73 30.777 -1.442 -7.232 1.00 15.92 H new ATOM 0 HB2 LYS A 73 30.184 -3.716 -5.664 1.00 17.04 H new ATOM 0 HB3 LYS A 73 31.150 -2.577 -5.215 1.00 17.04 H new ATOM 0 HG2 LYS A 73 28.343 -2.379 -5.456 1.00 19.13 H new ATOM 0 HG3 LYS A 73 29.178 -2.109 -4.166 1.00 19.13 H new ATOM 0 HD2 LYS A 73 29.629 -0.411 -6.366 1.00 25.35 H new ATOM 0 HD3 LYS A 73 28.346 -0.151 -5.517 1.00 25.35 H new ATOM 0 HE2 LYS A 73 30.915 -0.213 -4.331 1.00 37.03 H new ATOM 0 HE3 LYS A 73 30.272 1.125 -4.811 1.00 37.03 H new ATOM 0 HZ1 LYS A 73 29.666 1.044 -2.714 1.00 33.15 H new ATOM 0 HZ2 LYS A 73 28.475 0.486 -3.332 1.00 33.15 H new ATOM 0 HZ3 LYS A 73 29.449 -0.393 -2.707 1.00 33.15 H new ATOM 569 N GLN A 74 32.742 -3.531 -6.911 1.00 16.89 N ATOM 570 CA GLN A 74 34.007 -4.099 -7.360 1.00 21.27 C ATOM 571 C GLN A 74 33.808 -5.526 -7.858 1.00 17.17 C ATOM 572 O GLN A 74 33.441 -6.414 -7.086 1.00 17.69 O ATOM 573 CB GLN A 74 35.028 -4.070 -6.225 1.00 24.64 C ATOM 574 CG GLN A 74 36.391 -4.569 -6.634 1.00 32.53 C ATOM 575 CD GLN A 74 36.946 -3.801 -7.816 1.00 39.03 C ATOM 576 OE1 GLN A 74 37.158 -4.361 -8.894 1.00 39.51 O ATOM 577 NE2 GLN A 74 37.176 -2.506 -7.623 1.00 42.75 N ATOM 0 H GLN A 74 32.653 -3.497 -6.056 1.00 16.89 H new ATOM 0 HA GLN A 74 34.342 -3.563 -8.096 1.00 21.27 H new ATOM 0 HB2 GLN A 74 35.109 -3.162 -5.895 1.00 24.64 H new ATOM 0 HB3 GLN A 74 34.700 -4.611 -5.490 1.00 24.64 H new ATOM 0 HG2 GLN A 74 37.001 -4.492 -5.884 1.00 32.53 H new ATOM 0 HG3 GLN A 74 36.336 -5.511 -6.859 1.00 32.53 H new ATOM 0 HE21 GLN A 74 37.016 -2.150 -6.857 1.00 42.75 H new ATOM 0 HE22 GLN A 74 37.485 -2.024 -8.265 1.00 42.75 H new ATOM 578 N GLN A 75 34.070 -5.749 -9.140 1.00 18.17 N ATOM 579 CA GLN A 75 33.984 -7.090 -9.700 1.00 15.12 C ATOM 580 C GLN A 75 35.083 -7.995 -9.152 1.00 17.03 C ATOM 581 O GLN A 75 36.231 -7.575 -8.980 1.00 18.77 O ATOM 582 CB GLN A 75 34.083 -6.997 -11.218 1.00 23.14 C ATOM 583 CG GLN A 75 34.098 -8.299 -11.947 1.00 27.08 C ATOM 584 CD GLN A 75 33.894 -8.093 -13.429 1.00 27.50 C ATOM 585 OE1 GLN A 75 32.777 -7.840 -13.882 1.00 31.40 O ATOM 586 NE2 GLN A 75 34.978 -8.181 -14.195 1.00 31.66 N ATOM 0 H GLN A 75 34.299 -5.139 -9.701 1.00 18.17 H new ATOM 0 HA GLN A 75 33.134 -7.482 -9.446 1.00 15.12 H new ATOM 0 HB2 GLN A 75 33.335 -6.472 -11.543 1.00 23.14 H new ATOM 0 HB3 GLN A 75 34.891 -6.510 -11.444 1.00 23.14 H new ATOM 0 HG2 GLN A 75 34.943 -8.750 -11.793 1.00 27.08 H new ATOM 0 HG3 GLN A 75 33.401 -8.877 -11.599 1.00 27.08 H new ATOM 0 HE21 GLN A 75 35.741 -8.360 -13.841 1.00 31.66 H new ATOM 0 HE22 GLN A 75 34.916 -8.059 -15.044 1.00 31.66 H new ATOM 587 N VAL A 76 34.717 -9.242 -8.862 1.00 14.65 N ATOM 588 CA VAL A 76 35.655 -10.319 -8.562 1.00 15.20 C ATOM 589 C VAL A 76 35.560 -11.310 -9.715 1.00 20.09 C ATOM 590 O VAL A 76 34.480 -11.852 -9.986 1.00 19.96 O ATOM 591 CB VAL A 76 35.334 -11.000 -7.222 1.00 14.94 C ATOM 592 CG1 VAL A 76 36.297 -12.150 -6.959 1.00 18.89 C ATOM 593 CG2 VAL A 76 35.373 -9.982 -6.085 1.00 18.68 C ATOM 0 H VAL A 76 33.894 -9.490 -8.834 1.00 14.65 H new ATOM 0 HA VAL A 76 36.555 -9.969 -8.473 1.00 15.20 H new ATOM 0 HB VAL A 76 34.437 -11.367 -7.269 1.00 14.94 H new ATOM 0 HG11 VAL A 76 36.079 -12.567 -6.111 1.00 18.89 H new ATOM 0 HG12 VAL A 76 36.220 -12.805 -7.670 1.00 18.89 H new ATOM 0 HG13 VAL A 76 37.205 -11.811 -6.929 1.00 18.89 H new ATOM 0 HG21 VAL A 76 35.169 -10.425 -5.247 1.00 18.68 H new ATOM 0 HG22 VAL A 76 36.257 -9.587 -6.034 1.00 18.68 H new ATOM 0 HG23 VAL A 76 34.718 -9.286 -6.251 1.00 18.68 H new ATOM 594 N GLU A 77 36.672 -11.533 -10.410 1.00 17.12 N ATOM 595 CA GLU A 77 36.680 -12.366 -11.606 1.00 17.07 C ATOM 596 C GLU A 77 37.508 -13.615 -11.355 1.00 23.05 C ATOM 597 O GLU A 77 38.620 -13.534 -10.823 1.00 22.52 O ATOM 598 CB GLU A 77 37.237 -11.601 -12.806 1.00 21.71 C ATOM 0 H GLU A 77 37.440 -11.207 -10.202 1.00 17.12 H new ATOM 0 HA GLU A 77 35.766 -12.619 -11.809 1.00 17.07 H new ATOM 599 N SER A 78 36.973 -14.763 -11.743 1.00 18.77 N ATOM 600 CA SER A 78 37.655 -16.033 -11.555 1.00 19.32 C ATOM 601 C SER A 78 37.726 -16.776 -12.880 1.00 19.73 C ATOM 602 O SER A 78 36.787 -16.728 -13.680 1.00 21.93 O ATOM 603 CB SER A 78 36.936 -16.888 -10.520 1.00 19.58 C ATOM 604 OG SER A 78 37.449 -18.205 -10.488 1.00 17.66 O ATOM 0 H SER A 78 36.204 -14.828 -12.123 1.00 18.77 H new ATOM 0 HA SER A 78 38.553 -15.856 -11.233 1.00 19.32 H new ATOM 0 HB2 SER A 78 37.028 -16.483 -9.644 1.00 19.58 H new ATOM 0 HB3 SER A 78 35.988 -16.914 -10.723 1.00 19.58 H new ATOM 0 HG SER A 78 38.283 -18.179 -10.389 1.00 17.66 H new ATOM 605 N LYS A 79 38.846 -17.456 -13.115 1.00 17.50 N ATOM 606 CA LYS A 79 38.959 -18.366 -14.248 1.00 17.33 C ATOM 607 C LYS A 79 38.707 -19.821 -13.865 1.00 19.49 C ATOM 608 O LYS A 79 38.807 -20.704 -14.725 1.00 21.08 O ATOM 609 CB LYS A 79 40.342 -18.232 -14.899 1.00 23.23 C ATOM 610 CG LYS A 79 40.618 -16.859 -15.481 1.00 27.28 C ATOM 611 CD LYS A 79 39.826 -16.624 -16.754 1.00 38.28 C ATOM 612 CE LYS A 79 40.291 -15.361 -17.461 1.00 40.88 C ATOM 613 NZ LYS A 79 39.510 -14.166 -17.036 1.00 46.90 N ATOM 0 H LYS A 79 39.553 -17.403 -12.628 1.00 17.50 H new ATOM 0 HA LYS A 79 38.269 -18.112 -14.881 1.00 17.33 H new ATOM 0 HB2 LYS A 79 41.022 -18.436 -14.238 1.00 23.23 H new ATOM 0 HB3 LYS A 79 40.424 -18.894 -15.603 1.00 23.23 H new ATOM 0 HG2 LYS A 79 40.392 -16.178 -14.828 1.00 27.28 H new ATOM 0 HG3 LYS A 79 41.566 -16.770 -15.667 1.00 27.28 H new ATOM 0 HD2 LYS A 79 39.926 -17.386 -17.346 1.00 38.28 H new ATOM 0 HD3 LYS A 79 38.882 -16.551 -16.543 1.00 38.28 H new ATOM 0 HE2 LYS A 79 41.232 -15.215 -17.275 1.00 40.88 H new ATOM 0 HE3 LYS A 79 40.206 -15.478 -18.420 1.00 40.88 H new ATOM 0 HZ1 LYS A 79 39.808 -13.447 -17.468 1.00 46.90 H new ATOM 0 HZ2 LYS A 79 38.649 -14.290 -17.226 1.00 46.90 H new ATOM 0 HZ3 LYS A 79 39.605 -14.045 -16.159 1.00 46.90 H new ATOM 614 N ASN A 80 38.379 -20.096 -12.605 1.00 17.10 N ATOM 615 CA ASN A 80 38.042 -21.458 -12.205 1.00 14.61 C ATOM 616 C ASN A 80 36.783 -21.920 -12.931 1.00 17.51 C ATOM 617 O ASN A 80 35.789 -21.194 -12.992 1.00 16.49 O ATOM 618 CB ASN A 80 37.835 -21.524 -10.697 1.00 16.68 C ATOM 619 CG ASN A 80 37.737 -22.942 -10.189 1.00 16.78 C ATOM 620 OD1 ASN A 80 38.293 -23.863 -10.782 1.00 18.62 O ATOM 621 ND2 ASN A 80 37.028 -23.128 -9.085 1.00 15.87 N ATOM 0 H ASN A 80 38.346 -19.514 -11.973 1.00 17.10 H new ATOM 0 HA ASN A 80 38.774 -22.047 -12.445 1.00 14.61 H new ATOM 0 HB2 ASN A 80 38.571 -21.074 -10.252 1.00 16.68 H new ATOM 0 HB3 ASN A 80 37.026 -21.043 -10.463 1.00 16.68 H new ATOM 0 HD21 ASN A 80 36.943 -23.918 -8.756 1.00 15.87 H new ATOM 0 HD22 ASN A 80 36.653 -22.458 -8.697 1.00 15.87 H new ATOM 622 N MET A 81 36.827 -23.125 -13.501 1.00 15.62 N ATOM 623 CA MET A 81 35.739 -23.622 -14.346 1.00 18.64 C ATOM 624 C MET A 81 35.512 -25.105 -14.100 1.00 20.33 C ATOM 625 O MET A 81 35.891 -25.955 -14.914 1.00 21.03 O ATOM 626 CB MET A 81 36.040 -23.345 -15.823 1.00 18.31 C ATOM 627 CG MET A 81 34.895 -23.642 -16.778 1.00 21.15 C ATOM 628 SD MET A 81 33.350 -22.815 -16.332 1.00 17.72 S ATOM 629 CE MET A 81 33.871 -21.115 -16.201 1.00 18.28 C ATOM 0 H MET A 81 37.483 -23.674 -13.410 1.00 15.62 H new ATOM 0 HA MET A 81 34.923 -23.152 -14.114 1.00 18.64 H new ATOM 0 HB2 MET A 81 36.290 -22.413 -15.919 1.00 18.31 H new ATOM 0 HB3 MET A 81 36.809 -23.874 -16.087 1.00 18.31 H new ATOM 0 HG2 MET A 81 35.152 -23.371 -17.673 1.00 21.15 H new ATOM 0 HG3 MET A 81 34.745 -24.600 -16.804 1.00 21.15 H new ATOM 0 HE1 MET A 81 33.091 -20.538 -16.182 1.00 18.28 H new ATOM 0 HE2 MET A 81 34.382 -20.995 -15.385 1.00 18.28 H new ATOM 0 HE3 MET A 81 34.423 -20.886 -16.965 1.00 18.28 H new ATOM 630 N PRO A 82 34.876 -25.456 -12.978 1.00 15.95 N ATOM 631 CA PRO A 82 34.578 -26.871 -12.704 1.00 16.45 C ATOM 632 C PRO A 82 33.411 -27.429 -13.507 1.00 16.80 C ATOM 633 O PRO A 82 33.256 -28.657 -13.574 1.00 19.68 O ATOM 634 CB PRO A 82 34.258 -26.871 -11.204 1.00 18.37 C ATOM 635 CG PRO A 82 33.714 -25.485 -10.945 1.00 17.67 C ATOM 636 CD PRO A 82 34.500 -24.575 -11.852 1.00 15.26 C ATOM 0 HA PRO A 82 35.320 -27.442 -12.958 1.00 16.45 H new ATOM 0 HB2 PRO A 82 33.608 -27.555 -10.980 1.00 18.37 H new ATOM 0 HB3 PRO A 82 35.050 -27.047 -10.672 1.00 18.37 H new ATOM 0 HG2 PRO A 82 32.765 -25.439 -11.140 1.00 17.67 H new ATOM 0 HG3 PRO A 82 33.825 -25.233 -10.015 1.00 17.67 H new ATOM 0 HD2 PRO A 82 33.968 -23.821 -12.150 1.00 15.26 H new ATOM 0 HD3 PRO A 82 35.281 -24.212 -11.405 1.00 15.26 H new ATOM 637 N PHE A 83 32.591 -26.571 -14.104 1.00 14.77 N ATOM 638 CA PHE A 83 31.470 -27.032 -14.906 1.00 14.82 C ATOM 639 C PHE A 83 31.975 -27.790 -16.124 1.00 15.62 C ATOM 640 O PHE A 83 32.977 -27.413 -16.733 1.00 17.62 O ATOM 641 CB PHE A 83 30.614 -25.846 -15.355 1.00 14.46 C ATOM 642 CG PHE A 83 30.047 -25.029 -14.221 1.00 12.68 C ATOM 643 CD1 PHE A 83 28.841 -25.383 -13.631 1.00 12.61 C ATOM 644 CD2 PHE A 83 30.708 -23.891 -13.766 1.00 14.56 C ATOM 645 CE1 PHE A 83 28.302 -24.623 -12.605 1.00 15.54 C ATOM 646 CE2 PHE A 83 30.180 -23.128 -12.730 1.00 14.65 C ATOM 647 CZ PHE A 83 28.975 -23.496 -12.148 1.00 13.43 C ATOM 0 H PHE A 83 32.669 -25.716 -14.056 1.00 14.77 H new ATOM 0 HA PHE A 83 30.927 -27.625 -14.364 1.00 14.82 H new ATOM 0 HB2 PHE A 83 31.151 -25.268 -15.920 1.00 14.46 H new ATOM 0 HB3 PHE A 83 29.883 -26.176 -15.900 1.00 14.46 H new ATOM 0 HD1 PHE A 83 28.389 -26.140 -13.928 1.00 12.61 H new ATOM 0 HD2 PHE A 83 31.512 -23.638 -14.159 1.00 14.56 H new ATOM 0 HE1 PHE A 83 27.490 -24.867 -12.222 1.00 15.54 H new ATOM 0 HE2 PHE A 83 30.633 -22.374 -12.428 1.00 14.65 H new ATOM 0 HZ PHE A 83 28.619 -22.990 -11.454 1.00 13.43 H new ATOM 648 N GLN A 84 31.249 -28.843 -16.492 1.00 15.44 N ATOM 649 CA GLN A 84 31.655 -29.760 -17.549 1.00 17.44 C ATOM 650 C GLN A 84 30.733 -29.602 -18.749 1.00 14.33 C ATOM 651 O GLN A 84 29.507 -29.594 -18.598 1.00 16.63 O ATOM 652 CB GLN A 84 31.629 -31.203 -17.044 1.00 20.68 C ATOM 653 CG GLN A 84 32.600 -31.458 -15.896 1.00 19.43 C ATOM 654 CD GLN A 84 34.042 -31.173 -16.280 1.00 30.88 C ATOM 655 OE1 GLN A 84 34.585 -31.793 -17.197 1.00 33.12 O ATOM 656 NE2 GLN A 84 34.667 -30.220 -15.591 1.00 29.93 N ATOM 0 H GLN A 84 30.497 -29.046 -16.128 1.00 15.44 H new ATOM 0 HA GLN A 84 32.563 -29.548 -17.818 1.00 17.44 H new ATOM 0 HB2 GLN A 84 30.730 -31.421 -16.753 1.00 20.68 H new ATOM 0 HB3 GLN A 84 31.842 -31.800 -17.778 1.00 20.68 H new ATOM 0 HG2 GLN A 84 32.354 -30.903 -15.139 1.00 19.43 H new ATOM 0 HG3 GLN A 84 32.521 -32.381 -15.609 1.00 19.43 H new ATOM 0 HE21 GLN A 84 34.257 -29.808 -14.957 1.00 29.93 H new ATOM 0 HE22 GLN A 84 35.481 -30.016 -15.780 1.00 29.93 H new ATOM 657 N ASP A 85 31.340 -29.489 -19.931 1.00 16.09 N ATOM 658 CA ASP A 85 30.621 -29.311 -21.188 1.00 17.59 C ATOM 659 C ASP A 85 29.538 -30.369 -21.355 1.00 18.97 C ATOM 660 O ASP A 85 29.799 -31.570 -21.233 1.00 20.56 O ATOM 661 CB ASP A 85 31.624 -29.383 -22.344 1.00 17.96 C ATOM 662 CG ASP A 85 31.109 -28.757 -23.638 1.00 21.29 C ATOM 663 OD1 ASP A 85 29.923 -28.373 -23.726 1.00 19.24 O ATOM 664 OD2 ASP A 85 31.921 -28.643 -24.580 1.00 23.64 O ATOM 0 H ASP A 85 32.195 -29.514 -20.024 1.00 16.09 H new ATOM 0 HA ASP A 85 30.183 -28.445 -21.185 1.00 17.59 H new ATOM 0 HB2 ASP A 85 32.443 -28.935 -22.080 1.00 17.96 H new ATOM 0 HB3 ASP A 85 31.849 -30.312 -22.510 1.00 17.96 H new ATOM 665 N GLY A 86 28.317 -29.913 -21.627 1.00 16.30 N ATOM 666 CA GLY A 86 27.210 -30.790 -21.915 1.00 18.64 C ATOM 667 C GLY A 86 26.572 -31.465 -20.725 1.00 22.70 C ATOM 668 O GLY A 86 25.613 -32.221 -20.912 1.00 26.95 O ATOM 0 H GLY A 86 28.116 -29.077 -21.647 1.00 16.30 H new ATOM 0 HA2 GLY A 86 26.528 -30.279 -22.378 1.00 18.64 H new ATOM 0 HA3 GLY A 86 27.516 -31.477 -22.528 1.00 18.64 H new ATOM 669 N GLN A 87 27.041 -31.201 -19.508 1.00 17.24 N ATOM 670 CA GLN A 87 26.630 -31.965 -18.341 1.00 18.87 C ATOM 671 C GLN A 87 25.665 -31.196 -17.445 1.00 16.38 C ATOM 672 O GLN A 87 25.696 -29.966 -17.365 1.00 14.75 O ATOM 673 CB GLN A 87 27.851 -32.375 -17.518 1.00 16.85 C ATOM 674 CG GLN A 87 28.843 -33.228 -18.289 1.00 23.69 C ATOM 675 CD GLN A 87 28.152 -34.308 -19.093 1.00 30.42 C ATOM 676 OE1 GLN A 87 27.418 -35.129 -18.543 1.00 33.16 O ATOM 677 NE2 GLN A 87 28.382 -34.315 -20.406 1.00 30.99 N ATOM 0 H GLN A 87 27.605 -30.574 -19.339 1.00 17.24 H new ATOM 0 HA GLN A 87 26.168 -32.750 -18.674 1.00 18.87 H new ATOM 0 HB2 GLN A 87 28.301 -31.577 -17.200 1.00 16.85 H new ATOM 0 HB3 GLN A 87 27.555 -32.865 -16.735 1.00 16.85 H new ATOM 0 HG2 GLN A 87 29.361 -32.663 -18.884 1.00 23.69 H new ATOM 0 HG3 GLN A 87 29.468 -33.636 -17.670 1.00 23.69 H new ATOM 0 HE21 GLN A 87 28.901 -33.725 -20.755 1.00 30.99 H new ATOM 0 HE22 GLN A 87 28.011 -34.910 -20.904 1.00 30.99 H new ATOM 678 N GLU A 88 24.801 -31.949 -16.771 1.00 14.43 N ATOM 679 CA GLU A 88 24.038 -31.409 -15.656 1.00 15.93 C ATOM 680 C GLU A 88 24.989 -31.038 -14.520 1.00 16.46 C ATOM 681 O GLU A 88 26.014 -31.689 -14.305 1.00 21.06 O ATOM 682 CB GLU A 88 23.007 -32.435 -15.179 1.00 20.73 C ATOM 683 CG GLU A 88 22.134 -31.969 -14.026 1.00 27.40 C ATOM 684 CD GLU A 88 21.082 -32.988 -13.645 1.00 43.10 C ATOM 685 OE1 GLU A 88 21.442 -34.005 -13.012 1.00 45.00 O ATOM 686 OE2 GLU A 88 19.897 -32.772 -13.978 1.00 43.43 O ATOM 0 H GLU A 88 24.643 -32.776 -16.945 1.00 14.43 H new ATOM 0 HA GLU A 88 23.566 -30.612 -15.944 1.00 15.93 H new ATOM 0 HB2 GLU A 88 22.435 -32.672 -15.926 1.00 20.73 H new ATOM 0 HB3 GLU A 88 23.473 -33.242 -14.910 1.00 20.73 H new ATOM 0 HG2 GLU A 88 22.693 -31.783 -13.256 1.00 27.40 H new ATOM 0 HG3 GLU A 88 21.700 -31.136 -14.269 1.00 27.40 H new ATOM 687 N PHE A 89 24.656 -29.968 -13.799 1.00 14.33 N ATOM 688 CA PHE A 89 25.449 -29.537 -12.655 1.00 15.29 C ATOM 689 C PHE A 89 24.559 -29.399 -11.428 1.00 16.24 C ATOM 690 O PHE A 89 23.350 -29.183 -11.536 1.00 13.37 O ATOM 691 CB PHE A 89 26.163 -28.202 -12.930 1.00 14.79 C ATOM 692 CG PHE A 89 25.231 -27.089 -13.299 1.00 14.31 C ATOM 693 CD1 PHE A 89 24.540 -26.382 -12.324 1.00 15.79 C ATOM 694 CD2 PHE A 89 25.021 -26.760 -14.625 1.00 15.50 C ATOM 695 CE1 PHE A 89 23.662 -25.373 -12.670 1.00 17.40 C ATOM 696 CE2 PHE A 89 24.147 -25.750 -14.973 1.00 14.85 C ATOM 697 CZ PHE A 89 23.468 -25.054 -14.000 1.00 18.33 C ATOM 0 H PHE A 89 23.969 -29.476 -13.960 1.00 14.33 H new ATOM 0 HA PHE A 89 26.127 -30.212 -12.494 1.00 15.29 H new ATOM 0 HB2 PHE A 89 26.666 -27.945 -12.142 1.00 14.79 H new ATOM 0 HB3 PHE A 89 26.804 -28.328 -13.647 1.00 14.79 H new ATOM 0 HD1 PHE A 89 24.670 -26.590 -11.427 1.00 15.79 H new ATOM 0 HD2 PHE A 89 25.474 -27.225 -15.291 1.00 15.50 H new ATOM 0 HE1 PHE A 89 23.202 -24.909 -12.008 1.00 17.40 H new ATOM 0 HE2 PHE A 89 24.017 -25.539 -15.869 1.00 14.85 H new ATOM 0 HZ PHE A 89 22.881 -24.372 -14.236 1.00 18.33 H new ATOM 698 N GLU A 90 25.171 -29.539 -10.252 1.00 14.13 N ATOM 699 CA GLU A 90 24.523 -29.205 -8.990 1.00 14.82 C ATOM 700 C GLU A 90 25.309 -28.076 -8.349 1.00 15.27 C ATOM 701 O GLU A 90 26.511 -28.215 -8.100 1.00 18.72 O ATOM 702 CB GLU A 90 24.446 -30.402 -8.047 1.00 19.33 C ATOM 703 CG GLU A 90 23.805 -30.030 -6.718 1.00 26.70 C ATOM 704 CD GLU A 90 23.274 -31.233 -5.961 1.00 39.00 C ATOM 705 OE1 GLU A 90 23.570 -32.376 -6.371 1.00 47.00 O ATOM 706 OE2 GLU A 90 22.551 -31.031 -4.963 1.00 44.45 O ATOM 0 H GLU A 90 25.975 -29.831 -10.166 1.00 14.13 H new ATOM 0 HA GLU A 90 23.608 -28.934 -9.165 1.00 14.82 H new ATOM 0 HB2 GLU A 90 23.935 -31.112 -8.466 1.00 19.33 H new ATOM 0 HB3 GLU A 90 25.338 -30.749 -7.891 1.00 19.33 H new ATOM 0 HG2 GLU A 90 24.457 -29.569 -6.167 1.00 26.70 H new ATOM 0 HG3 GLU A 90 23.078 -29.408 -6.878 1.00 26.70 H new ATOM 707 N LEU A 91 24.637 -26.960 -8.103 1.00 11.79 N ATOM 708 CA LEU A 91 25.251 -25.764 -7.548 1.00 14.64 C ATOM 709 C LEU A 91 24.705 -25.571 -6.144 1.00 16.72 C ATOM 710 O LEU A 91 23.488 -25.623 -5.939 1.00 19.95 O ATOM 711 CB LEU A 91 24.936 -24.554 -8.436 1.00 21.88 C ATOM 712 CG LEU A 91 25.676 -23.229 -8.317 1.00 30.49 C ATOM 713 CD1 LEU A 91 27.085 -23.366 -8.849 1.00 29.48 C ATOM 714 CD2 LEU A 91 24.907 -22.157 -9.085 1.00 22.19 C ATOM 0 H LEU A 91 23.795 -26.875 -8.257 1.00 11.79 H new ATOM 0 HA LEU A 91 26.216 -25.856 -7.513 1.00 14.64 H new ATOM 0 HB2 LEU A 91 25.044 -24.849 -9.354 1.00 21.88 H new ATOM 0 HB3 LEU A 91 23.995 -24.357 -8.310 1.00 21.88 H new ATOM 0 HG LEU A 91 25.734 -22.970 -7.384 1.00 30.49 H new ATOM 0 HD11 LEU A 91 27.546 -22.516 -8.768 1.00 29.48 H new ATOM 0 HD12 LEU A 91 27.560 -24.041 -8.339 1.00 29.48 H new ATOM 0 HD13 LEU A 91 27.055 -23.629 -9.782 1.00 29.48 H new ATOM 0 HD21 LEU A 91 25.374 -21.310 -9.013 1.00 22.19 H new ATOM 0 HD22 LEU A 91 24.842 -22.412 -10.019 1.00 22.19 H new ATOM 0 HD23 LEU A 91 24.016 -22.068 -8.712 1.00 22.19 H new ATOM 715 N SER A 92 25.597 -25.383 -5.172 1.00 12.39 N ATOM 716 CA SER A 92 25.208 -25.213 -3.779 1.00 16.45 C ATOM 717 C SER A 92 25.848 -23.925 -3.289 1.00 23.58 C ATOM 718 O SER A 92 27.073 -23.783 -3.352 1.00 25.04 O ATOM 719 CB SER A 92 25.666 -26.411 -2.936 1.00 20.60 C ATOM 720 OG SER A 92 25.118 -26.385 -1.629 1.00 34.68 O ATOM 0 H SER A 92 26.446 -25.351 -5.305 1.00 12.39 H new ATOM 0 HA SER A 92 24.243 -25.164 -3.696 1.00 16.45 H new ATOM 0 HB2 SER A 92 25.406 -27.234 -3.378 1.00 20.60 H new ATOM 0 HB3 SER A 92 26.634 -26.413 -2.879 1.00 20.60 H new ATOM 0 HG SER A 92 25.732 -26.493 -1.066 1.00 34.68 H new ATOM 721 N ILE A 93 25.033 -22.977 -2.837 1.00 12.73 N ATOM 722 CA ILE A 93 25.547 -21.713 -2.323 1.00 10.76 C ATOM 723 C ILE A 93 25.230 -21.661 -0.837 1.00 14.77 C ATOM 724 O ILE A 93 24.058 -21.578 -0.452 1.00 14.54 O ATOM 725 CB ILE A 93 24.956 -20.504 -3.052 1.00 12.36 C ATOM 726 CG1 ILE A 93 25.238 -20.589 -4.558 1.00 12.19 C ATOM 727 CG2 ILE A 93 25.527 -19.202 -2.481 1.00 14.23 C ATOM 728 CD1 ILE A 93 24.383 -19.642 -5.377 1.00 15.78 C ATOM 0 H ILE A 93 24.176 -23.047 -2.820 1.00 12.73 H new ATOM 0 HA ILE A 93 26.504 -21.670 -2.473 1.00 10.76 H new ATOM 0 HB ILE A 93 23.995 -20.509 -2.917 1.00 12.36 H new ATOM 0 HG12 ILE A 93 26.174 -20.392 -4.718 1.00 12.19 H new ATOM 0 HG13 ILE A 93 25.084 -21.498 -4.860 1.00 12.19 H new ATOM 0 HG21 ILE A 93 25.144 -18.446 -2.953 1.00 14.23 H new ATOM 0 HG22 ILE A 93 25.309 -19.139 -1.538 1.00 14.23 H new ATOM 0 HG23 ILE A 93 26.491 -19.196 -2.590 1.00 14.23 H new ATOM 0 HD11 ILE A 93 24.603 -19.738 -6.317 1.00 15.78 H new ATOM 0 HD12 ILE A 93 23.446 -19.852 -5.241 1.00 15.78 H new ATOM 0 HD13 ILE A 93 24.553 -18.729 -5.098 1.00 15.78 H new ATOM 729 N SER A 94 26.266 -21.699 -0.003 1.00 11.78 N ATOM 730 CA SER A 94 26.093 -21.723 1.445 1.00 13.88 C ATOM 731 C SER A 94 26.394 -20.353 2.028 1.00 11.33 C ATOM 732 O SER A 94 27.345 -19.686 1.614 1.00 13.60 O ATOM 733 CB SER A 94 27.001 -22.764 2.104 1.00 19.27 C ATOM 734 OG SER A 94 26.574 -24.076 1.773 1.00 31.40 O ATOM 0 H SER A 94 27.086 -21.712 -0.261 1.00 11.78 H new ATOM 0 HA SER A 94 25.171 -21.964 1.626 1.00 13.88 H new ATOM 0 HB2 SER A 94 27.917 -22.633 1.813 1.00 19.27 H new ATOM 0 HB3 SER A 94 26.990 -22.648 3.067 1.00 19.27 H new ATOM 0 HG SER A 94 26.862 -24.281 1.011 1.00 31.40 H new ATOM 735 N VAL A 95 25.572 -19.941 2.989 1.00 9.92 N ATOM 736 CA VAL A 95 25.763 -18.678 3.690 1.00 10.02 C ATOM 737 C VAL A 95 26.582 -18.961 4.941 1.00 12.96 C ATOM 738 O VAL A 95 26.080 -19.537 5.912 1.00 14.91 O ATOM 739 CB VAL A 95 24.424 -18.024 4.038 1.00 13.24 C ATOM 740 CG1 VAL A 95 24.657 -16.654 4.651 1.00 14.93 C ATOM 741 CG2 VAL A 95 23.543 -17.947 2.787 1.00 14.27 C ATOM 0 H VAL A 95 24.886 -20.388 3.253 1.00 9.92 H new ATOM 0 HA VAL A 95 26.233 -18.050 3.119 1.00 10.02 H new ATOM 0 HB VAL A 95 23.958 -18.563 4.696 1.00 13.24 H new ATOM 0 HG11 VAL A 95 23.804 -16.247 4.868 1.00 14.93 H new ATOM 0 HG12 VAL A 95 25.186 -16.746 5.459 1.00 14.93 H new ATOM 0 HG13 VAL A 95 25.131 -16.092 4.018 1.00 14.93 H new ATOM 0 HG21 VAL A 95 22.696 -17.532 3.013 1.00 14.27 H new ATOM 0 HG22 VAL A 95 23.991 -17.419 2.108 1.00 14.27 H new ATOM 0 HG23 VAL A 95 23.384 -18.842 2.447 1.00 14.27 H new ATOM 742 N LEU A 96 27.848 -18.589 4.900 1.00 12.95 N ATOM 743 CA LEU A 96 28.741 -18.683 6.046 1.00 15.35 C ATOM 744 C LEU A 96 28.746 -17.355 6.783 1.00 17.01 C ATOM 745 O LEU A 96 28.231 -16.344 6.292 1.00 15.35 O ATOM 746 CB LEU A 96 30.142 -19.076 5.568 1.00 14.91 C ATOM 747 CG LEU A 96 30.266 -20.265 4.606 1.00 17.15 C ATOM 748 CD1 LEU A 96 31.724 -20.532 4.229 1.00 17.95 C ATOM 749 CD2 LEU A 96 29.614 -21.514 5.155 1.00 19.17 C ATOM 0 H LEU A 96 28.222 -18.269 4.195 1.00 12.95 H new ATOM 0 HA LEU A 96 28.435 -19.367 6.662 1.00 15.35 H new ATOM 0 HB2 LEU A 96 30.537 -18.302 5.137 1.00 14.91 H new ATOM 0 HB3 LEU A 96 30.680 -19.270 6.351 1.00 14.91 H new ATOM 0 HG LEU A 96 29.787 -20.020 3.799 1.00 17.15 H new ATOM 0 HD11 LEU A 96 31.768 -21.287 3.622 1.00 17.95 H new ATOM 0 HD12 LEU A 96 32.095 -19.747 3.796 1.00 17.95 H new ATOM 0 HD13 LEU A 96 32.234 -20.731 5.030 1.00 17.95 H new ATOM 0 HD21 LEU A 96 29.715 -22.239 4.518 1.00 19.17 H new ATOM 0 HD22 LEU A 96 30.038 -21.759 5.993 1.00 19.17 H new ATOM 0 HD23 LEU A 96 28.671 -21.347 5.307 1.00 19.17 H new ATOM 750 N PRO A 97 29.287 -17.312 8.001 1.00 19.50 N ATOM 751 CA PRO A 97 29.237 -16.048 8.748 1.00 19.32 C ATOM 752 C PRO A 97 29.845 -14.877 7.997 1.00 17.56 C ATOM 753 O PRO A 97 29.338 -13.754 8.092 1.00 16.62 O ATOM 754 CB PRO A 97 30.018 -16.382 10.027 1.00 22.81 C ATOM 755 CG PRO A 97 29.757 -17.832 10.223 1.00 23.00 C ATOM 756 CD PRO A 97 29.803 -18.415 8.832 1.00 21.80 C ATOM 0 HA PRO A 97 28.328 -15.752 8.912 1.00 19.32 H new ATOM 0 HB2 PRO A 97 30.965 -16.200 9.925 1.00 22.81 H new ATOM 0 HB3 PRO A 97 29.708 -15.858 10.782 1.00 22.81 H new ATOM 0 HG2 PRO A 97 30.425 -18.237 10.798 1.00 23.00 H new ATOM 0 HG3 PRO A 97 28.895 -17.982 10.641 1.00 23.00 H new ATOM 0 HD2 PRO A 97 30.704 -18.667 8.577 1.00 21.80 H new ATOM 0 HD3 PRO A 97 29.253 -19.211 8.756 1.00 21.80 H new ATOM 757 N ASP A 98 30.905 -15.108 7.232 1.00 14.29 N ATOM 758 CA ASP A 98 31.615 -14.018 6.597 1.00 15.93 C ATOM 759 C ASP A 98 31.546 -14.012 5.079 1.00 12.91 C ATOM 760 O ASP A 98 32.009 -13.040 4.468 1.00 13.21 O ATOM 761 CB ASP A 98 33.083 -14.027 7.041 1.00 22.89 C ATOM 762 CG ASP A 98 33.250 -13.463 8.440 1.00 37.31 C ATOM 763 OD1 ASP A 98 33.132 -12.229 8.611 1.00 45.33 O ATOM 764 OD2 ASP A 98 33.452 -14.254 9.377 1.00 49.78 O ATOM 0 H ASP A 98 31.226 -15.889 7.071 1.00 14.29 H new ATOM 0 HA ASP A 98 31.164 -13.210 6.887 1.00 15.93 H new ATOM 0 HB2 ASP A 98 33.424 -14.935 7.015 1.00 22.89 H new ATOM 0 HB3 ASP A 98 33.613 -13.507 6.417 1.00 22.89 H new ATOM 765 N LYS A 99 30.953 -15.030 4.453 1.00 12.95 N ATOM 766 CA LYS A 99 31.013 -15.134 3.002 1.00 11.43 C ATOM 767 C LYS A 99 29.955 -16.108 2.509 1.00 8.99 C ATOM 768 O LYS A 99 29.418 -16.907 3.279 1.00 12.60 O ATOM 769 CB LYS A 99 32.393 -15.617 2.548 1.00 13.22 C ATOM 770 CG LYS A 99 32.607 -17.100 2.846 1.00 15.40 C ATOM 771 CD LYS A 99 34.073 -17.489 2.828 1.00 16.93 C ATOM 772 CE LYS A 99 34.764 -16.964 4.057 1.00 21.15 C ATOM 773 NZ LYS A 99 36.133 -17.536 4.171 1.00 25.00 N ATOM 0 H LYS A 99 30.518 -15.660 4.846 1.00 12.95 H new ATOM 0 HA LYS A 99 30.850 -14.254 2.628 1.00 11.43 H new ATOM 0 HB2 LYS A 99 32.492 -15.462 1.596 1.00 13.22 H new ATOM 0 HB3 LYS A 99 33.080 -15.096 2.993 1.00 13.22 H new ATOM 0 HG2 LYS A 99 32.230 -17.310 3.715 1.00 15.40 H new ATOM 0 HG3 LYS A 99 32.126 -17.631 2.192 1.00 15.40 H new ATOM 0 HD2 LYS A 99 34.158 -18.454 2.788 1.00 16.93 H new ATOM 0 HD3 LYS A 99 34.499 -17.134 2.032 1.00 16.93 H new ATOM 0 HE2 LYS A 99 34.814 -15.996 4.018 1.00 21.15 H new ATOM 0 HE3 LYS A 99 34.247 -17.189 4.846 1.00 21.15 H new ATOM 0 HZ1 LYS A 99 36.377 -17.555 5.027 1.00 25.00 H new ATOM 0 HZ2 LYS A 99 36.138 -18.363 3.843 1.00 25.00 H new ATOM 0 HZ3 LYS A 99 36.705 -17.032 3.712 1.00 25.00 H new ATOM 774 N TYR A 100 29.690 -16.042 1.198 1.00 11.34 N ATOM 775 CA TYR A 100 29.022 -17.114 0.469 1.00 11.68 C ATOM 776 C TYR A 100 30.069 -18.098 -0.016 1.00 12.26 C ATOM 777 O TYR A 100 31.134 -17.697 -0.488 1.00 12.83 O ATOM 778 CB TYR A 100 28.257 -16.573 -0.740 1.00 10.38 C ATOM 779 CG TYR A 100 27.153 -15.618 -0.359 1.00 9.49 C ATOM 780 CD1 TYR A 100 25.954 -16.100 0.155 1.00 10.41 C ATOM 781 CD2 TYR A 100 27.308 -14.245 -0.508 1.00 10.43 C ATOM 782 CE1 TYR A 100 24.937 -15.235 0.520 1.00 9.46 C ATOM 783 CE2 TYR A 100 26.296 -13.375 -0.147 1.00 10.12 C ATOM 784 CZ TYR A 100 25.118 -13.879 0.367 1.00 10.07 C ATOM 785 OH TYR A 100 24.105 -13.030 0.738 1.00 12.73 O ATOM 0 H TYR A 100 29.897 -15.366 0.708 1.00 11.34 H new ATOM 0 HA TYR A 100 28.389 -17.544 1.065 1.00 11.68 H new ATOM 0 HB2 TYR A 100 28.877 -16.122 -1.334 1.00 10.38 H new ATOM 0 HB3 TYR A 100 27.879 -17.316 -1.236 1.00 10.38 H new ATOM 0 HD1 TYR A 100 25.834 -17.017 0.255 1.00 10.41 H new ATOM 0 HD2 TYR A 100 28.102 -13.907 -0.855 1.00 10.43 H new ATOM 0 HE1 TYR A 100 24.140 -15.567 0.865 1.00 9.46 H new ATOM 0 HE2 TYR A 100 26.408 -12.457 -0.250 1.00 10.12 H new ATOM 0 HH TYR A 100 23.668 -13.374 1.367 1.00 12.73 H new ATOM 786 N GLN A 101 29.757 -19.382 0.078 1.00 13.31 N ATOM 787 CA GLN A 101 30.594 -20.409 -0.523 1.00 12.15 C ATOM 788 C GLN A 101 29.800 -21.153 -1.582 1.00 11.44 C ATOM 789 O GLN A 101 28.705 -21.651 -1.300 1.00 12.51 O ATOM 790 CB GLN A 101 31.095 -21.390 0.519 1.00 15.21 C ATOM 791 CG GLN A 101 31.899 -22.521 -0.093 1.00 16.79 C ATOM 792 CD GLN A 101 32.609 -23.326 0.967 1.00 15.17 C ATOM 793 OE1 GLN A 101 33.789 -23.633 0.837 1.00 21.43 O ATOM 794 NE2 GLN A 101 31.893 -23.674 2.017 1.00 17.21 N ATOM 0 H GLN A 101 29.062 -19.681 0.487 1.00 13.31 H new ATOM 0 HA GLN A 101 31.363 -19.977 -0.927 1.00 12.15 H new ATOM 0 HB2 GLN A 101 31.644 -20.919 1.166 1.00 15.21 H new ATOM 0 HB3 GLN A 101 30.339 -21.758 1.003 1.00 15.21 H new ATOM 0 HG2 GLN A 101 31.310 -23.100 -0.602 1.00 16.79 H new ATOM 0 HG3 GLN A 101 32.548 -22.159 -0.716 1.00 16.79 H new ATOM 0 HE21 GLN A 101 31.067 -23.439 2.072 1.00 17.21 H new ATOM 0 HE22 GLN A 101 32.251 -24.136 2.648 1.00 17.21 H new ATOM 795 N VAL A 102 30.364 -21.238 -2.782 1.00 10.66 N ATOM 796 CA VAL A 102 29.714 -21.848 -3.937 1.00 10.37 C ATOM 797 C VAL A 102 30.375 -23.191 -4.173 1.00 11.11 C ATOM 798 O VAL A 102 31.575 -23.252 -4.477 1.00 12.93 O ATOM 799 CB VAL A 102 29.821 -20.966 -5.187 1.00 12.55 C ATOM 800 CG1 VAL A 102 29.091 -21.623 -6.353 1.00 13.06 C ATOM 801 CG2 VAL A 102 29.263 -19.570 -4.908 1.00 14.44 C ATOM 0 H VAL A 102 31.151 -20.937 -2.951 1.00 10.66 H new ATOM 0 HA VAL A 102 28.767 -21.955 -3.759 1.00 10.37 H new ATOM 0 HB VAL A 102 30.756 -20.871 -5.425 1.00 12.55 H new ATOM 0 HG11 VAL A 102 29.163 -21.059 -7.139 1.00 13.06 H new ATOM 0 HG12 VAL A 102 29.489 -22.488 -6.538 1.00 13.06 H new ATOM 0 HG13 VAL A 102 28.156 -21.740 -6.125 1.00 13.06 H new ATOM 0 HG21 VAL A 102 29.338 -19.026 -5.707 1.00 14.44 H new ATOM 0 HG22 VAL A 102 28.330 -19.640 -4.651 1.00 14.44 H new ATOM 0 HG23 VAL A 102 29.766 -19.158 -4.188 1.00 14.44 H new ATOM 802 N MET A 103 29.597 -24.258 -4.035 1.00 11.96 N ATOM 803 CA MET A 103 30.039 -25.604 -4.369 1.00 12.35 C ATOM 804 C MET A 103 29.487 -25.973 -5.734 1.00 12.15 C ATOM 805 O MET A 103 28.321 -25.701 -6.031 1.00 14.00 O ATOM 806 CB MET A 103 29.550 -26.617 -3.333 1.00 14.93 C ATOM 807 CG MET A 103 29.618 -26.137 -1.914 1.00 16.51 C ATOM 808 SD MET A 103 31.309 -26.222 -1.331 1.00 20.64 S ATOM 809 CE MET A 103 31.497 -27.983 -1.115 1.00 20.91 C ATOM 0 H MET A 103 28.789 -24.220 -3.742 1.00 11.96 H new ATOM 0 HA MET A 103 31.009 -25.623 -4.377 1.00 12.35 H new ATOM 0 HB2 MET A 103 28.632 -26.855 -3.538 1.00 14.93 H new ATOM 0 HB3 MET A 103 30.078 -27.426 -3.414 1.00 14.93 H new ATOM 0 HG2 MET A 103 29.291 -25.225 -1.855 1.00 16.51 H new ATOM 0 HG3 MET A 103 29.045 -26.681 -1.351 1.00 16.51 H new ATOM 0 HE1 MET A 103 32.141 -28.156 -0.411 1.00 20.91 H new ATOM 0 HE2 MET A 103 30.642 -28.373 -0.873 1.00 20.91 H new ATOM 0 HE3 MET A 103 31.810 -28.379 -1.943 1.00 20.91 H new ATOM 810 N VAL A 104 30.331 -26.570 -6.573 1.00 10.19 N ATOM 811 CA VAL A 104 29.908 -27.069 -7.877 1.00 11.33 C ATOM 812 C VAL A 104 30.154 -28.570 -7.887 1.00 15.95 C ATOM 813 O VAL A 104 31.306 -29.012 -7.782 1.00 14.82 O ATOM 814 CB VAL A 104 30.654 -26.381 -9.024 1.00 13.03 C ATOM 815 CG1 VAL A 104 30.230 -26.974 -10.362 1.00 14.09 C ATOM 816 CG2 VAL A 104 30.382 -24.884 -9.004 1.00 13.06 C ATOM 0 H VAL A 104 31.164 -26.696 -6.401 1.00 10.19 H new ATOM 0 HA VAL A 104 28.968 -26.873 -8.015 1.00 11.33 H new ATOM 0 HB VAL A 104 31.606 -26.528 -8.907 1.00 13.03 H new ATOM 0 HG11 VAL A 104 30.709 -26.530 -11.079 1.00 14.09 H new ATOM 0 HG12 VAL A 104 30.435 -27.922 -10.375 1.00 14.09 H new ATOM 0 HG13 VAL A 104 29.276 -26.848 -10.484 1.00 14.09 H new ATOM 0 HG21 VAL A 104 30.859 -24.459 -9.734 1.00 13.06 H new ATOM 0 HG22 VAL A 104 29.430 -24.726 -9.105 1.00 13.06 H new ATOM 0 HG23 VAL A 104 30.683 -24.511 -8.161 1.00 13.06 H new ATOM 817 N ASN A 105 29.075 -29.347 -7.999 1.00 13.02 N ATOM 818 CA ASN A 105 29.169 -30.808 -8.031 1.00 14.83 C ATOM 819 C ASN A 105 29.939 -31.332 -6.821 1.00 17.50 C ATOM 820 O ASN A 105 30.773 -32.235 -6.929 1.00 21.43 O ATOM 821 CB ASN A 105 29.804 -31.276 -9.341 1.00 15.87 C ATOM 822 CG ASN A 105 28.994 -30.849 -10.552 1.00 19.45 C ATOM 823 OD1 ASN A 105 27.766 -30.761 -10.472 1.00 19.82 O ATOM 824 ND2 ASN A 105 29.670 -30.567 -11.668 1.00 20.47 N ATOM 0 H ASN A 105 28.272 -29.044 -8.058 1.00 13.02 H new ATOM 0 HA ASN A 105 28.272 -31.174 -7.987 1.00 14.83 H new ATOM 0 HB2 ASN A 105 30.702 -30.916 -9.411 1.00 15.87 H new ATOM 0 HB3 ASN A 105 29.886 -32.243 -9.332 1.00 15.87 H new ATOM 0 HD21 ASN A 105 29.249 -30.311 -12.373 1.00 20.47 H new ATOM 0 HD22 ASN A 105 30.527 -30.641 -11.682 1.00 20.47 H new ATOM 825 N GLY A 106 29.683 -30.727 -5.661 1.00 15.56 N ATOM 826 CA GLY A 106 30.277 -31.167 -4.415 1.00 16.77 C ATOM 827 C GLY A 106 31.645 -30.596 -4.100 1.00 19.29 C ATOM 828 O GLY A 106 32.204 -30.930 -3.044 1.00 21.53 O ATOM 0 H GLY A 106 29.159 -30.050 -5.582 1.00 15.56 H new ATOM 0 HA2 GLY A 106 29.675 -30.938 -3.690 1.00 16.77 H new ATOM 0 HA3 GLY A 106 30.345 -32.134 -4.432 1.00 16.77 H new ATOM 829 N GLN A 107 32.202 -29.753 -4.968 1.00 16.65 N ATOM 830 CA GLN A 107 33.548 -29.219 -4.801 1.00 22.99 C ATOM 831 C GLN A 107 33.488 -27.712 -4.564 1.00 16.47 C ATOM 832 O GLN A 107 32.870 -26.979 -5.339 1.00 13.90 O ATOM 833 CB GLN A 107 34.391 -29.562 -6.034 1.00 28.97 C ATOM 834 CG GLN A 107 35.580 -28.664 -6.325 1.00 29.22 C ATOM 835 CD GLN A 107 36.097 -28.829 -7.754 1.00 41.76 C ATOM 836 OE1 GLN A 107 36.949 -28.068 -8.217 1.00 43.61 O ATOM 837 NE2 GLN A 107 35.583 -29.835 -8.454 1.00 37.71 N ATOM 0 H GLN A 107 31.803 -29.474 -5.677 1.00 16.65 H new ATOM 0 HA GLN A 107 33.967 -29.622 -4.025 1.00 22.99 H new ATOM 0 HB2 GLN A 107 34.716 -30.470 -5.934 1.00 28.97 H new ATOM 0 HB3 GLN A 107 33.809 -29.553 -6.810 1.00 28.97 H new ATOM 0 HG2 GLN A 107 35.327 -27.739 -6.180 1.00 29.22 H new ATOM 0 HG3 GLN A 107 36.294 -28.864 -5.700 1.00 29.22 H new ATOM 0 HE21 GLN A 107 34.990 -30.347 -8.099 1.00 37.71 H new ATOM 0 HE22 GLN A 107 35.844 -29.974 -9.262 1.00 37.71 H new ATOM 838 N SER A 108 34.131 -27.244 -3.494 1.00 13.96 N ATOM 839 CA SER A 108 34.212 -25.803 -3.272 1.00 13.21 C ATOM 840 C SER A 108 34.890 -25.132 -4.454 1.00 14.76 C ATOM 841 O SER A 108 36.002 -25.510 -4.838 1.00 14.48 O ATOM 842 CB SER A 108 34.982 -25.500 -1.986 1.00 11.94 C ATOM 843 OG SER A 108 35.067 -24.094 -1.791 1.00 15.16 O ATOM 0 H SER A 108 34.517 -27.730 -2.899 1.00 13.96 H new ATOM 0 HA SER A 108 33.312 -25.454 -3.182 1.00 13.21 H new ATOM 0 HB2 SER A 108 34.538 -25.913 -1.229 1.00 11.94 H new ATOM 0 HB3 SER A 108 35.872 -25.882 -2.035 1.00 11.94 H new ATOM 0 HG SER A 108 34.729 -23.893 -1.049 1.00 15.16 H new ATOM 844 N SER A 109 34.228 -24.130 -5.032 1.00 10.94 N ATOM 845 CA SER A 109 34.720 -23.557 -6.277 1.00 11.66 C ATOM 846 C SER A 109 34.878 -22.042 -6.265 1.00 11.45 C ATOM 847 O SER A 109 35.676 -21.508 -7.042 1.00 12.80 O ATOM 848 CB SER A 109 33.798 -23.965 -7.436 1.00 12.29 C ATOM 849 OG SER A 109 33.807 -25.383 -7.581 1.00 15.48 O ATOM 0 H SER A 109 33.507 -23.776 -4.725 1.00 10.94 H new ATOM 0 HA SER A 109 35.614 -23.916 -6.393 1.00 11.66 H new ATOM 0 HB2 SER A 109 32.895 -23.654 -7.267 1.00 12.29 H new ATOM 0 HB3 SER A 109 34.093 -23.545 -8.259 1.00 12.29 H new ATOM 0 HG SER A 109 33.481 -25.737 -6.893 1.00 15.48 H new ATOM 850 N TYR A 110 34.093 -21.335 -5.442 1.00 12.09 N ATOM 851 CA TYR A 110 34.138 -19.873 -5.377 1.00 11.73 C ATOM 852 C TYR A 110 33.669 -19.451 -3.994 1.00 9.77 C ATOM 853 O TYR A 110 32.862 -20.144 -3.368 1.00 12.50 O ATOM 854 CB TYR A 110 33.241 -19.169 -6.435 1.00 10.18 C ATOM 855 CG TYR A 110 33.306 -19.783 -7.812 1.00 10.79 C ATOM 856 CD1 TYR A 110 34.255 -19.359 -8.734 1.00 11.88 C ATOM 857 CD2 TYR A 110 32.432 -20.801 -8.181 1.00 13.33 C ATOM 858 CE1 TYR A 110 34.341 -19.935 -9.995 1.00 14.18 C ATOM 859 CE2 TYR A 110 32.509 -21.383 -9.438 1.00 12.60 C ATOM 860 CZ TYR A 110 33.457 -20.943 -10.337 1.00 12.99 C ATOM 861 OH TYR A 110 33.529 -21.534 -11.577 1.00 13.33 O ATOM 0 H TYR A 110 33.521 -21.692 -4.908 1.00 12.09 H new ATOM 0 HA TYR A 110 35.052 -19.605 -5.562 1.00 11.73 H new ATOM 0 HB2 TYR A 110 32.321 -19.187 -6.127 1.00 10.18 H new ATOM 0 HB3 TYR A 110 33.501 -18.237 -6.496 1.00 10.18 H new ATOM 0 HD1 TYR A 110 34.843 -18.677 -8.503 1.00 11.88 H new ATOM 0 HD2 TYR A 110 31.788 -21.095 -7.578 1.00 13.33 H new ATOM 0 HE1 TYR A 110 34.984 -19.647 -10.602 1.00 14.18 H new ATOM 0 HE2 TYR A 110 31.924 -22.067 -9.673 1.00 12.60 H new ATOM 0 HH TYR A 110 34.273 -21.362 -11.927 1.00 13.33 H new ATOM 862 N THR A 111 34.198 -18.324 -3.499 1.00 11.67 N ATOM 863 CA THR A 111 33.628 -17.682 -2.318 1.00 11.21 C ATOM 864 C THR A 111 33.604 -16.175 -2.535 1.00 11.38 C ATOM 865 O THR A 111 34.311 -15.631 -3.387 1.00 13.82 O ATOM 866 CB THR A 111 34.372 -17.998 -0.998 1.00 15.25 C ATOM 867 OG1 THR A 111 35.649 -17.343 -0.977 1.00 17.82 O ATOM 868 CG2 THR A 111 34.555 -19.504 -0.782 1.00 14.26 C ATOM 0 H THR A 111 34.881 -17.922 -3.833 1.00 11.67 H new ATOM 0 HA THR A 111 32.734 -18.044 -2.215 1.00 11.21 H new ATOM 0 HB THR A 111 33.822 -17.663 -0.273 1.00 15.25 H new ATOM 0 HG1 THR A 111 35.555 -16.554 -0.703 1.00 17.82 H new ATOM 0 HG21 THR A 111 35.024 -19.657 0.053 1.00 14.26 H new ATOM 0 HG22 THR A 111 33.686 -19.934 -0.748 1.00 14.26 H new ATOM 0 HG23 THR A 111 35.071 -19.876 -1.514 1.00 14.26 H new ATOM 869 N PHE A 112 32.752 -15.504 -1.761 1.00 11.53 N ATOM 870 CA PHE A 112 32.511 -14.073 -1.936 1.00 9.68 C ATOM 871 C PHE A 112 32.148 -13.505 -0.571 1.00 9.77 C ATOM 872 O PHE A 112 31.123 -13.877 -0.005 1.00 11.11 O ATOM 873 CB PHE A 112 31.388 -13.864 -2.958 1.00 9.55 C ATOM 874 CG PHE A 112 31.068 -12.433 -3.269 1.00 10.88 C ATOM 875 CD1 PHE A 112 31.718 -11.778 -4.308 1.00 11.69 C ATOM 876 CD2 PHE A 112 30.059 -11.762 -2.575 1.00 11.61 C ATOM 877 CE1 PHE A 112 31.403 -10.468 -4.636 1.00 13.67 C ATOM 878 CE2 PHE A 112 29.729 -10.448 -2.904 1.00 11.93 C ATOM 879 CZ PHE A 112 30.401 -9.804 -3.942 1.00 12.34 C ATOM 0 H PHE A 112 32.300 -15.863 -1.124 1.00 11.53 H new ATOM 0 HA PHE A 112 33.296 -13.616 -2.276 1.00 9.68 H new ATOM 0 HB2 PHE A 112 31.633 -14.313 -3.783 1.00 9.55 H new ATOM 0 HB3 PHE A 112 30.585 -14.296 -2.628 1.00 9.55 H new ATOM 0 HD1 PHE A 112 32.375 -12.225 -4.791 1.00 11.69 H new ATOM 0 HD2 PHE A 112 29.604 -12.195 -1.889 1.00 11.61 H new ATOM 0 HE1 PHE A 112 31.862 -10.035 -5.319 1.00 13.67 H new ATOM 0 HE2 PHE A 112 29.063 -10.002 -2.432 1.00 11.93 H new ATOM 0 HZ PHE A 112 30.178 -8.930 -4.169 1.00 12.34 H new ATOM 880 N ASP A 113 32.988 -12.621 -0.029 1.00 11.60 N ATOM 881 CA ASP A 113 32.739 -12.089 1.305 1.00 13.66 C ATOM 882 C ASP A 113 31.500 -11.207 1.305 1.00 11.85 C ATOM 883 O ASP A 113 31.233 -10.487 0.337 1.00 12.72 O ATOM 884 CB ASP A 113 33.941 -11.279 1.784 1.00 13.70 C ATOM 885 CG ASP A 113 35.060 -12.152 2.332 1.00 23.71 C ATOM 886 OD1 ASP A 113 35.045 -13.378 2.108 1.00 20.87 O ATOM 887 OD2 ASP A 113 35.962 -11.599 2.994 1.00 30.57 O ATOM 0 H ASP A 113 33.697 -12.322 -0.413 1.00 11.60 H new ATOM 0 HA ASP A 113 32.595 -12.836 1.907 1.00 13.66 H new ATOM 0 HB2 ASP A 113 34.282 -10.748 1.047 1.00 13.70 H new ATOM 0 HB3 ASP A 113 33.654 -10.658 2.472 1.00 13.70 H new ATOM 888 N HIS A 114 30.750 -11.248 2.407 1.00 10.94 N ATOM 889 CA HIS A 114 29.546 -10.429 2.501 1.00 10.62 C ATOM 890 C HIS A 114 29.893 -8.953 2.431 1.00 12.53 C ATOM 891 O HIS A 114 30.762 -8.470 3.167 1.00 16.80 O ATOM 892 CB HIS A 114 28.796 -10.713 3.802 1.00 11.10 C ATOM 893 CG HIS A 114 28.291 -12.112 3.916 1.00 12.74 C ATOM 894 ND1 HIS A 114 27.553 -12.719 2.919 1.00 11.85 N ATOM 895 CD2 HIS A 114 28.421 -13.029 4.902 1.00 12.74 C ATOM 896 CE1 HIS A 114 27.263 -13.956 3.286 1.00 11.75 C ATOM 897 NE2 HIS A 114 27.774 -14.166 4.488 1.00 12.79 N ATOM 0 H HIS A 114 30.917 -11.733 3.097 1.00 10.94 H new ATOM 0 HA HIS A 114 28.976 -10.657 1.750 1.00 10.62 H new ATOM 0 HB2 HIS A 114 29.384 -10.529 4.551 1.00 11.10 H new ATOM 0 HB3 HIS A 114 28.047 -10.101 3.873 1.00 11.10 H new ATOM 0 HD2 HIS A 114 28.866 -12.911 5.710 1.00 12.74 H new ATOM 0 HE1 HIS A 114 26.782 -14.573 2.784 1.00 11.75 H new ATOM 0 HE2 HIS A 114 27.711 -14.897 4.937 1.00 12.79 H new ATOM 898 N ARG A 115 29.188 -8.236 1.563 1.00 11.81 N ATOM 899 CA ARG A 115 29.255 -6.780 1.511 1.00 12.13 C ATOM 900 C ARG A 115 28.039 -6.126 2.133 1.00 15.24 C ATOM 901 O ARG A 115 28.128 -4.989 2.611 1.00 16.61 O ATOM 902 CB ARG A 115 29.388 -6.316 0.063 1.00 13.55 C ATOM 903 CG ARG A 115 30.599 -6.907 -0.619 1.00 13.20 C ATOM 904 CD ARG A 115 30.584 -6.587 -2.088 1.00 13.34 C ATOM 905 NE ARG A 115 31.804 -7.040 -2.738 1.00 13.51 N ATOM 906 CZ ARG A 115 32.070 -6.841 -4.025 1.00 13.07 C ATOM 907 NH1 ARG A 115 31.193 -6.203 -4.788 1.00 12.61 N ATOM 908 NH2 ARG A 115 33.211 -7.287 -4.548 1.00 15.44 N ATOM 0 H ARG A 115 28.654 -8.582 0.984 1.00 11.81 H new ATOM 0 HA ARG A 115 30.033 -6.512 2.024 1.00 12.13 H new ATOM 0 HB2 ARG A 115 28.589 -6.564 -0.429 1.00 13.55 H new ATOM 0 HB3 ARG A 115 29.446 -5.348 0.040 1.00 13.55 H new ATOM 0 HG2 ARG A 115 31.408 -6.557 -0.214 1.00 13.20 H new ATOM 0 HG3 ARG A 115 30.612 -7.869 -0.492 1.00 13.20 H new ATOM 0 HD2 ARG A 115 29.817 -7.008 -2.505 1.00 13.34 H new ATOM 0 HD3 ARG A 115 30.485 -5.630 -2.212 1.00 13.34 H new ATOM 0 HE ARG A 115 32.385 -7.460 -2.263 1.00 13.51 H new ATOM 0 HH11 ARG A 115 30.455 -5.919 -4.450 1.00 12.61 H new ATOM 0 HH12 ARG A 115 31.362 -6.073 -5.621 1.00 12.61 H new ATOM 0 HH21 ARG A 115 33.777 -7.704 -4.053 1.00 15.44 H new ATOM 0 HH22 ARG A 115 33.382 -7.158 -5.381 1.00 15.44 H new ATOM 909 N ILE A 116 26.921 -6.840 2.107 1.00 12.99 N ATOM 910 CA ILE A 116 25.650 -6.479 2.717 1.00 12.81 C ATOM 911 C ILE A 116 25.208 -7.695 3.519 1.00 13.96 C ATOM 912 O ILE A 116 25.475 -8.832 3.115 1.00 15.37 O ATOM 913 CB ILE A 116 24.612 -6.129 1.632 1.00 14.75 C ATOM 914 CG1 ILE A 116 25.067 -4.917 0.812 1.00 16.22 C ATOM 915 CG2 ILE A 116 23.215 -5.976 2.228 1.00 13.95 C ATOM 916 CD1 ILE A 116 24.287 -4.735 -0.468 1.00 16.46 C ATOM 0 H ILE A 116 26.883 -7.599 1.705 1.00 12.99 H new ATOM 0 HA ILE A 116 25.736 -5.698 3.285 1.00 12.81 H new ATOM 0 HB ILE A 116 24.551 -6.870 1.009 1.00 14.75 H new ATOM 0 HG12 ILE A 116 24.979 -4.117 1.353 1.00 16.22 H new ATOM 0 HG13 ILE A 116 26.008 -5.014 0.599 1.00 16.22 H new ATOM 0 HG21 ILE A 116 22.585 -5.756 1.524 1.00 13.95 H new ATOM 0 HG22 ILE A 116 22.950 -6.808 2.650 1.00 13.95 H new ATOM 0 HG23 ILE A 116 23.221 -5.266 2.889 1.00 13.95 H new ATOM 0 HD11 ILE A 116 24.619 -3.956 -0.941 1.00 16.46 H new ATOM 0 HD12 ILE A 116 24.393 -5.521 -1.026 1.00 16.46 H new ATOM 0 HD13 ILE A 116 23.348 -4.611 -0.260 1.00 16.46 H new ATOM 917 N LYS A 117 24.555 -7.473 4.654 1.00 15.03 N ATOM 918 CA LYS A 117 24.147 -8.614 5.459 1.00 14.38 C ATOM 919 C LYS A 117 23.220 -9.522 4.653 1.00 11.99 C ATOM 920 O LYS A 117 22.369 -9.032 3.898 1.00 12.77 O ATOM 921 CB LYS A 117 23.457 -8.166 6.749 1.00 16.04 C ATOM 922 CG LYS A 117 22.204 -7.347 6.566 1.00 17.79 C ATOM 923 CD LYS A 117 21.666 -6.938 7.938 1.00 21.08 C ATOM 924 CE LYS A 117 20.493 -5.994 7.806 1.00 22.69 C ATOM 925 NZ LYS A 117 20.009 -5.609 9.174 1.00 27.93 N ATOM 0 H LYS A 117 24.345 -6.700 4.966 1.00 15.03 H new ATOM 0 HA LYS A 117 24.945 -9.109 5.703 1.00 14.38 H new ATOM 0 HB2 LYS A 117 23.236 -8.954 7.269 1.00 16.04 H new ATOM 0 HB3 LYS A 117 24.089 -7.649 7.272 1.00 16.04 H new ATOM 0 HG2 LYS A 117 22.394 -6.559 6.033 1.00 17.79 H new ATOM 0 HG3 LYS A 117 21.536 -7.860 6.085 1.00 17.79 H new ATOM 0 HD2 LYS A 117 21.395 -7.728 8.430 1.00 21.08 H new ATOM 0 HD3 LYS A 117 22.371 -6.512 8.451 1.00 21.08 H new ATOM 0 HE2 LYS A 117 20.756 -5.203 7.310 1.00 22.69 H new ATOM 0 HE3 LYS A 117 19.778 -6.418 7.306 1.00 22.69 H new ATOM 0 HZ1 LYS A 117 19.318 -5.053 9.099 1.00 27.93 H new ATOM 0 HZ2 LYS A 117 19.755 -6.339 9.616 1.00 27.93 H new ATOM 0 HZ3 LYS A 117 20.666 -5.207 9.619 1.00 27.93 H new ATOM 926 N PRO A 118 23.374 -10.845 4.764 1.00 12.48 N ATOM 927 CA PRO A 118 22.491 -11.750 4.005 1.00 12.58 C ATOM 928 C PRO A 118 21.029 -11.583 4.358 1.00 12.49 C ATOM 929 O PRO A 118 20.162 -11.883 3.532 1.00 12.32 O ATOM 930 CB PRO A 118 22.997 -13.151 4.385 1.00 17.52 C ATOM 931 CG PRO A 118 24.355 -12.949 4.958 1.00 24.43 C ATOM 932 CD PRO A 118 24.412 -11.564 5.523 1.00 14.22 C ATOM 0 HA PRO A 118 22.528 -11.571 3.052 1.00 12.58 H new ATOM 0 HB2 PRO A 118 22.406 -13.572 5.029 1.00 17.52 H new ATOM 0 HB3 PRO A 118 23.030 -13.732 3.609 1.00 17.52 H new ATOM 0 HG2 PRO A 118 24.533 -13.606 5.649 1.00 24.43 H new ATOM 0 HG3 PRO A 118 25.033 -13.065 4.274 1.00 24.43 H new ATOM 0 HD2 PRO A 118 24.228 -11.558 6.475 1.00 14.22 H new ATOM 0 HD3 PRO A 118 25.287 -11.163 5.401 1.00 14.22 H new ATOM 933 N GLU A 119 20.729 -11.097 5.566 1.00 13.69 N ATOM 934 CA GLU A 119 19.347 -10.865 5.966 1.00 12.44 C ATOM 935 C GLU A 119 18.656 -9.784 5.139 1.00 14.58 C ATOM 936 O GLU A 119 17.440 -9.609 5.272 1.00 15.65 O ATOM 937 CB GLU A 119 19.316 -10.501 7.454 1.00 14.81 C ATOM 938 CG GLU A 119 19.666 -11.660 8.375 1.00 19.94 C ATOM 939 CD GLU A 119 21.162 -11.844 8.619 1.00 21.38 C ATOM 940 OE1 GLU A 119 21.999 -11.064 8.095 1.00 17.40 O ATOM 941 OE2 GLU A 119 21.500 -12.792 9.366 1.00 31.27 O ATOM 0 H GLU A 119 21.313 -10.897 6.165 1.00 13.69 H new ATOM 0 HA GLU A 119 18.852 -11.684 5.805 1.00 12.44 H new ATOM 0 HB2 GLU A 119 19.937 -9.773 7.614 1.00 14.81 H new ATOM 0 HB3 GLU A 119 18.431 -10.174 7.680 1.00 14.81 H new ATOM 0 HG2 GLU A 119 19.225 -11.525 9.228 1.00 19.94 H new ATOM 0 HG3 GLU A 119 19.308 -12.478 7.997 1.00 19.94 H new ATOM 942 N ALA A 120 19.384 -9.066 4.283 1.00 10.67 N ATOM 943 CA ALA A 120 18.761 -8.103 3.392 1.00 12.98 C ATOM 944 C ALA A 120 18.149 -8.760 2.160 1.00 12.56 C ATOM 945 O ALA A 120 17.381 -8.104 1.445 1.00 14.30 O ATOM 946 CB ALA A 120 19.783 -7.044 2.972 1.00 12.03 C ATOM 0 H ALA A 120 20.239 -9.125 4.207 1.00 10.67 H new ATOM 0 HA ALA A 120 18.036 -7.684 3.881 1.00 12.98 H new ATOM 0 HB1 ALA A 120 19.361 -6.404 2.377 1.00 12.03 H new ATOM 0 HB2 ALA A 120 20.114 -6.584 3.759 1.00 12.03 H new ATOM 0 HB3 ALA A 120 20.523 -7.472 2.513 1.00 12.03 H new ATOM 947 N VAL A 121 18.459 -10.031 1.907 1.00 11.28 N ATOM 948 CA VAL A 121 17.928 -10.716 0.733 1.00 11.05 C ATOM 949 C VAL A 121 16.440 -10.990 0.910 1.00 11.38 C ATOM 950 O VAL A 121 15.992 -11.459 1.970 1.00 12.81 O ATOM 951 CB VAL A 121 18.702 -12.014 0.472 1.00 10.04 C ATOM 952 CG1 VAL A 121 18.042 -12.806 -0.660 1.00 11.92 C ATOM 953 CG2 VAL A 121 20.148 -11.694 0.125 1.00 9.75 C ATOM 0 H VAL A 121 18.973 -10.511 2.401 1.00 11.28 H new ATOM 0 HA VAL A 121 18.040 -10.142 -0.041 1.00 11.05 H new ATOM 0 HB VAL A 121 18.687 -12.558 1.275 1.00 10.04 H new ATOM 0 HG11 VAL A 121 18.540 -13.624 -0.816 1.00 11.92 H new ATOM 0 HG12 VAL A 121 17.130 -13.025 -0.413 1.00 11.92 H new ATOM 0 HG13 VAL A 121 18.038 -12.271 -1.469 1.00 11.92 H new ATOM 0 HG21 VAL A 121 20.632 -12.519 -0.039 1.00 9.75 H new ATOM 0 HG22 VAL A 121 20.175 -11.140 -0.671 1.00 9.75 H new ATOM 0 HG23 VAL A 121 20.561 -11.219 0.863 1.00 9.75 H new ATOM 954 N LYS A 122 15.667 -10.706 -0.140 1.00 10.27 N ATOM 955 CA LYS A 122 14.254 -11.042 -0.189 1.00 9.70 C ATOM 956 C LYS A 122 13.873 -11.909 -1.378 1.00 11.47 C ATOM 957 O LYS A 122 12.752 -12.427 -1.406 1.00 10.78 O ATOM 958 CB LYS A 122 13.396 -9.766 -0.219 1.00 12.47 C ATOM 959 CG LYS A 122 13.413 -8.997 1.090 1.00 14.60 C ATOM 960 CD LYS A 122 12.417 -7.849 1.067 1.00 19.66 C ATOM 961 CE LYS A 122 12.626 -6.940 2.270 1.00 24.95 C ATOM 962 NZ LYS A 122 11.588 -5.870 2.317 1.00 32.44 N ATOM 0 H LYS A 122 15.955 -10.310 -0.847 1.00 10.27 H new ATOM 0 HA LYS A 122 14.082 -11.556 0.616 1.00 9.70 H new ATOM 0 HB2 LYS A 122 13.713 -9.188 -0.930 1.00 12.47 H new ATOM 0 HB3 LYS A 122 12.481 -10.005 -0.434 1.00 12.47 H new ATOM 0 HG2 LYS A 122 13.202 -9.597 1.823 1.00 14.60 H new ATOM 0 HG3 LYS A 122 14.305 -8.652 1.253 1.00 14.60 H new ATOM 0 HD2 LYS A 122 12.520 -7.340 0.248 1.00 19.66 H new ATOM 0 HD3 LYS A 122 11.512 -8.198 1.072 1.00 19.66 H new ATOM 0 HE2 LYS A 122 12.592 -7.464 3.086 1.00 24.95 H new ATOM 0 HE3 LYS A 122 13.508 -6.538 2.227 1.00 24.95 H new ATOM 0 HZ1 LYS A 122 11.823 -5.254 2.915 1.00 32.44 H new ATOM 0 HZ2 LYS A 122 11.515 -5.492 1.515 1.00 32.44 H new ATOM 0 HZ3 LYS A 122 10.806 -6.225 2.549 1.00 32.44 H new ATOM 963 N MET A 123 14.764 -12.098 -2.353 1.00 10.59 N ATOM 964 CA MET A 123 14.403 -12.806 -3.575 1.00 12.54 C ATOM 965 C MET A 123 15.671 -13.385 -4.187 1.00 9.77 C ATOM 966 O MET A 123 16.732 -12.765 -4.109 1.00 10.46 O ATOM 967 CB MET A 123 13.726 -11.854 -4.576 1.00 15.40 C ATOM 968 CG MET A 123 13.286 -12.486 -5.867 1.00 15.31 C ATOM 969 SD MET A 123 12.542 -11.276 -6.992 1.00 23.85 S ATOM 970 CE MET A 123 13.960 -10.374 -7.661 1.00 15.82 C ATOM 0 H MET A 123 15.579 -11.824 -2.324 1.00 10.59 H new ATOM 0 HA MET A 123 13.776 -13.515 -3.365 1.00 12.54 H new ATOM 0 HB2 MET A 123 12.952 -11.455 -4.148 1.00 15.40 H new ATOM 0 HB3 MET A 123 14.341 -11.132 -4.780 1.00 15.40 H new ATOM 0 HG2 MET A 123 14.048 -12.903 -6.299 1.00 15.31 H new ATOM 0 HG3 MET A 123 12.645 -13.190 -5.680 1.00 15.31 H new ATOM 0 HE1 MET A 123 13.849 -10.259 -8.618 1.00 15.82 H new ATOM 0 HE2 MET A 123 14.020 -9.504 -7.236 1.00 15.82 H new ATOM 0 HE3 MET A 123 14.773 -10.874 -7.488 1.00 15.82 H new ATOM 971 N VAL A 124 15.553 -14.578 -4.776 1.00 10.40 N ATOM 972 CA VAL A 124 16.628 -15.186 -5.559 1.00 8.90 C ATOM 973 C VAL A 124 16.129 -15.344 -6.986 1.00 10.97 C ATOM 974 O VAL A 124 14.996 -15.789 -7.199 1.00 11.86 O ATOM 975 CB VAL A 124 17.062 -16.547 -4.986 1.00 9.40 C ATOM 976 CG1 VAL A 124 18.091 -17.219 -5.910 1.00 11.11 C ATOM 977 CG2 VAL A 124 17.641 -16.359 -3.596 1.00 12.00 C ATOM 0 H VAL A 124 14.841 -15.059 -4.731 1.00 10.40 H new ATOM 0 HA VAL A 124 17.410 -14.613 -5.528 1.00 8.90 H new ATOM 0 HB VAL A 124 16.285 -17.124 -4.928 1.00 9.40 H new ATOM 0 HG11 VAL A 124 18.353 -18.074 -5.535 1.00 11.11 H new ATOM 0 HG12 VAL A 124 17.698 -17.358 -6.786 1.00 11.11 H new ATOM 0 HG13 VAL A 124 18.872 -16.650 -5.993 1.00 11.11 H new ATOM 0 HG21 VAL A 124 17.913 -17.219 -3.239 1.00 12.00 H new ATOM 0 HG22 VAL A 124 18.411 -15.771 -3.643 1.00 12.00 H new ATOM 0 HG23 VAL A 124 16.970 -15.967 -3.016 1.00 12.00 H new ATOM 978 N GLN A 125 16.960 -14.973 -7.956 1.00 8.86 N ATOM 979 CA GLN A 125 16.640 -15.182 -9.365 1.00 8.34 C ATOM 980 C GLN A 125 17.739 -16.009 -10.018 1.00 10.99 C ATOM 981 O GLN A 125 18.927 -15.780 -9.769 1.00 13.68 O ATOM 982 CB GLN A 125 16.467 -13.855 -10.089 1.00 11.52 C ATOM 983 CG GLN A 125 15.159 -13.175 -9.709 1.00 17.56 C ATOM 984 CD GLN A 125 14.784 -12.060 -10.657 1.00 24.18 C ATOM 985 OE1 GLN A 125 15.569 -11.137 -10.887 1.00 27.16 O ATOM 986 NE2 GLN A 125 13.590 -12.150 -11.235 1.00 22.88 N ATOM 0 H GLN A 125 17.720 -14.596 -7.817 1.00 8.86 H new ATOM 0 HA GLN A 125 15.799 -15.662 -9.426 1.00 8.34 H new ATOM 0 HB2 GLN A 125 17.211 -13.270 -9.875 1.00 11.52 H new ATOM 0 HB3 GLN A 125 16.489 -14.003 -11.047 1.00 11.52 H new ATOM 0 HG2 GLN A 125 14.448 -13.835 -9.695 1.00 17.56 H new ATOM 0 HG3 GLN A 125 15.233 -12.819 -8.810 1.00 17.56 H new ATOM 0 HE21 GLN A 125 13.071 -12.810 -11.048 1.00 22.88 H new ATOM 0 HE22 GLN A 125 13.337 -11.549 -11.795 1.00 22.88 H new ATOM 987 N VAL A 126 17.338 -16.992 -10.823 1.00 9.49 N ATOM 988 CA VAL A 126 18.257 -17.836 -11.588 1.00 9.48 C ATOM 989 C VAL A 126 17.867 -17.709 -13.057 1.00 10.99 C ATOM 990 O VAL A 126 16.708 -17.956 -13.418 1.00 10.95 O ATOM 991 CB VAL A 126 18.201 -19.305 -11.134 1.00 10.08 C ATOM 992 CG1 VAL A 126 19.220 -20.151 -11.886 1.00 10.11 C ATOM 993 CG2 VAL A 126 18.432 -19.423 -9.619 1.00 10.96 C ATOM 0 H VAL A 126 16.510 -17.191 -10.942 1.00 9.49 H new ATOM 0 HA VAL A 126 19.170 -17.543 -11.444 1.00 9.48 H new ATOM 0 HB VAL A 126 17.314 -19.639 -11.338 1.00 10.08 H new ATOM 0 HG11 VAL A 126 19.165 -21.071 -11.582 1.00 10.11 H new ATOM 0 HG12 VAL A 126 19.033 -20.113 -12.837 1.00 10.11 H new ATOM 0 HG13 VAL A 126 20.112 -19.809 -11.718 1.00 10.11 H new ATOM 0 HG21 VAL A 126 18.392 -20.356 -9.357 1.00 10.96 H new ATOM 0 HG22 VAL A 126 19.304 -19.062 -9.395 1.00 10.96 H new ATOM 0 HG23 VAL A 126 17.746 -18.926 -9.147 1.00 10.96 H new ATOM 994 N TRP A 127 18.812 -17.319 -13.906 1.00 7.95 N ATOM 995 CA TRP A 127 18.422 -17.057 -15.291 1.00 7.04 C ATOM 996 C TRP A 127 19.627 -17.186 -16.218 1.00 11.06 C ATOM 997 O TRP A 127 20.700 -17.654 -15.821 1.00 9.86 O ATOM 998 CB TRP A 127 17.726 -15.689 -15.403 1.00 10.06 C ATOM 999 CG TRP A 127 18.527 -14.464 -15.049 1.00 11.06 C ATOM 1000 CD1 TRP A 127 19.084 -14.148 -13.830 1.00 10.35 C ATOM 1001 CD2 TRP A 127 18.821 -13.366 -15.917 1.00 9.24 C ATOM 1002 NE1 TRP A 127 19.712 -12.920 -13.902 1.00 10.82 N ATOM 1003 CE2 TRP A 127 19.562 -12.421 -15.169 1.00 8.93 C ATOM 1004 CE3 TRP A 127 18.526 -13.089 -17.258 1.00 10.00 C ATOM 1005 CZ2 TRP A 127 20.017 -11.221 -15.719 1.00 10.36 C ATOM 1006 CZ3 TRP A 127 18.974 -11.900 -17.806 1.00 12.20 C ATOM 1007 CH2 TRP A 127 19.720 -10.980 -17.040 1.00 10.58 C ATOM 0 H TRP A 127 19.643 -17.204 -13.717 1.00 7.95 H new ATOM 0 HA TRP A 127 17.778 -17.724 -15.575 1.00 7.04 H new ATOM 0 HB2 TRP A 127 17.413 -15.587 -16.316 1.00 10.06 H new ATOM 0 HB3 TRP A 127 16.941 -15.706 -14.834 1.00 10.06 H new ATOM 0 HD1 TRP A 127 19.043 -14.683 -13.070 1.00 10.35 H new ATOM 0 HE1 TRP A 127 20.129 -12.532 -13.257 1.00 10.82 H new ATOM 0 HE3 TRP A 127 18.038 -13.693 -17.770 1.00 10.00 H new ATOM 0 HZ2 TRP A 127 20.501 -10.610 -15.213 1.00 10.36 H new ATOM 0 HZ3 TRP A 127 18.780 -11.704 -18.694 1.00 12.20 H new ATOM 0 HH2 TRP A 127 20.017 -10.193 -17.437 1.00 10.58 H new ATOM 1008 N ARG A 128 19.405 -16.810 -17.487 1.00 10.34 N ATOM 1009 CA ARG A 128 20.291 -16.991 -18.636 1.00 12.65 C ATOM 1010 C ARG A 128 20.187 -18.426 -19.153 1.00 12.08 C ATOM 1011 O ARG A 128 19.100 -19.013 -19.104 1.00 12.49 O ATOM 1012 CB ARG A 128 21.722 -16.547 -18.315 1.00 12.26 C ATOM 1013 CG ARG A 128 21.721 -15.064 -17.886 1.00 12.66 C ATOM 1014 CD ARG A 128 23.017 -14.374 -18.159 1.00 13.56 C ATOM 1015 NE ARG A 128 23.136 -13.042 -17.560 1.00 13.61 N ATOM 1016 CZ ARG A 128 22.909 -11.882 -18.181 1.00 12.74 C ATOM 1017 NH1 ARG A 128 22.485 -11.834 -19.442 1.00 13.20 N ATOM 1018 NH2 ARG A 128 23.120 -10.746 -17.528 1.00 12.65 N ATOM 0 H ARG A 128 18.675 -16.413 -17.709 1.00 10.34 H new ATOM 0 HA ARG A 128 20.005 -16.412 -19.360 1.00 12.65 H new ATOM 0 HB2 ARG A 128 22.090 -17.098 -17.606 1.00 12.26 H new ATOM 0 HB3 ARG A 128 22.290 -16.668 -19.092 1.00 12.26 H new ATOM 0 HG2 ARG A 128 21.009 -14.599 -18.352 1.00 12.66 H new ATOM 0 HG3 ARG A 128 21.524 -15.007 -16.938 1.00 12.66 H new ATOM 0 HD2 ARG A 128 23.741 -14.929 -17.831 1.00 13.56 H new ATOM 0 HD3 ARG A 128 23.132 -14.296 -19.119 1.00 13.56 H new ATOM 0 HE ARG A 128 23.373 -13.004 -16.734 1.00 13.61 H new ATOM 0 HH11 ARG A 128 22.350 -12.563 -19.878 1.00 13.20 H new ATOM 0 HH12 ARG A 128 22.346 -11.074 -19.820 1.00 13.20 H new ATOM 0 HH21 ARG A 128 23.400 -10.763 -16.715 1.00 12.65 H new ATOM 0 HH22 ARG A 128 22.977 -9.993 -17.918 1.00 12.65 H new ATOM 1019 N ASP A 129 21.264 -18.983 -19.701 1.00 10.20 N ATOM 1020 CA ASP A 129 21.141 -20.073 -20.679 1.00 10.89 C ATOM 1021 C ASP A 129 21.207 -21.460 -20.039 1.00 10.89 C ATOM 1022 O ASP A 129 22.054 -22.287 -20.366 1.00 11.38 O ATOM 1023 CB ASP A 129 22.211 -19.915 -21.751 1.00 11.62 C ATOM 1024 CG ASP A 129 22.251 -18.512 -22.293 1.00 13.62 C ATOM 1025 OD1 ASP A 129 21.219 -18.090 -22.853 1.00 14.20 O ATOM 1026 OD2 ASP A 129 23.279 -17.818 -22.145 1.00 14.48 O ATOM 0 H ASP A 129 22.072 -18.749 -19.524 1.00 10.20 H new ATOM 0 HA ASP A 129 20.261 -20.008 -21.082 1.00 10.89 H new ATOM 0 HB2 ASP A 129 23.078 -20.144 -21.380 1.00 11.62 H new ATOM 0 HB3 ASP A 129 22.039 -20.537 -22.475 1.00 11.62 H new ATOM 1027 N ILE A 130 20.260 -21.728 -19.142 1.00 10.80 N ATOM 1028 CA ILE A 130 20.174 -23.036 -18.505 1.00 11.31 C ATOM 1029 C ILE A 130 18.723 -23.483 -18.455 1.00 12.15 C ATOM 1030 O ILE A 130 17.789 -22.675 -18.512 1.00 12.90 O ATOM 1031 CB ILE A 130 20.763 -23.052 -17.071 1.00 10.58 C ATOM 1032 CG1 ILE A 130 19.901 -22.211 -16.121 1.00 14.79 C ATOM 1033 CG2 ILE A 130 22.227 -22.597 -17.081 1.00 14.71 C ATOM 1034 CD1 ILE A 130 19.770 -22.803 -14.737 1.00 25.61 C ATOM 0 H ILE A 130 19.660 -21.166 -18.890 1.00 10.80 H new ATOM 0 HA ILE A 130 20.705 -23.646 -19.041 1.00 11.31 H new ATOM 0 HB ILE A 130 20.749 -23.963 -16.739 1.00 10.58 H new ATOM 0 HG12 ILE A 130 20.285 -21.323 -16.049 1.00 14.79 H new ATOM 0 HG13 ILE A 130 19.016 -22.108 -16.505 1.00 14.79 H new ATOM 0 HG21 ILE A 130 22.577 -22.614 -16.177 1.00 14.71 H new ATOM 0 HG22 ILE A 130 22.748 -23.194 -17.640 1.00 14.71 H new ATOM 0 HG23 ILE A 130 22.283 -21.695 -17.433 1.00 14.71 H new ATOM 0 HD11 ILE A 130 19.216 -22.226 -14.189 1.00 25.61 H new ATOM 0 HD12 ILE A 130 19.361 -23.681 -14.798 1.00 25.61 H new ATOM 0 HD13 ILE A 130 20.649 -22.883 -14.335 1.00 25.61 H new ATOM 1035 N SER A 131 18.553 -24.797 -18.354 1.00 12.54 N ATOM 1036 CA SER A 131 17.331 -25.402 -17.867 1.00 13.56 C ATOM 1037 C SER A 131 17.542 -25.764 -16.403 1.00 12.77 C ATOM 1038 O SER A 131 18.669 -26.002 -15.958 1.00 14.03 O ATOM 1039 CB SER A 131 16.961 -26.641 -18.683 1.00 17.08 C ATOM 1040 OG SER A 131 17.975 -27.622 -18.599 1.00 18.36 O ATOM 0 H SER A 131 19.158 -25.368 -18.572 1.00 12.54 H new ATOM 0 HA SER A 131 16.596 -24.776 -17.958 1.00 13.56 H new ATOM 0 HB2 SER A 131 16.123 -27.008 -18.359 1.00 17.08 H new ATOM 0 HB3 SER A 131 16.822 -26.393 -19.610 1.00 17.08 H new ATOM 0 HG SER A 131 17.813 -28.139 -17.957 1.00 18.36 H new ATOM 1041 N LEU A 132 16.452 -25.756 -15.646 1.00 12.89 N ATOM 1042 CA LEU A 132 16.513 -25.905 -14.198 1.00 12.10 C ATOM 1043 C LEU A 132 15.577 -27.035 -13.791 1.00 17.91 C ATOM 1044 O LEU A 132 14.390 -26.999 -14.127 1.00 19.32 O ATOM 1045 CB LEU A 132 16.106 -24.583 -13.555 1.00 15.80 C ATOM 1046 CG LEU A 132 16.198 -24.280 -12.073 1.00 28.15 C ATOM 1047 CD1 LEU A 132 17.618 -24.435 -11.621 1.00 26.54 C ATOM 1048 CD2 LEU A 132 15.739 -22.855 -11.889 1.00 24.38 C ATOM 0 H LEU A 132 15.656 -25.664 -15.957 1.00 12.89 H new ATOM 0 HA LEU A 132 17.410 -26.125 -13.902 1.00 12.10 H new ATOM 0 HB2 LEU A 132 16.626 -23.897 -14.001 1.00 15.80 H new ATOM 0 HB3 LEU A 132 15.178 -24.440 -13.800 1.00 15.80 H new ATOM 0 HG LEU A 132 15.648 -24.885 -11.550 1.00 28.15 H new ATOM 0 HD11 LEU A 132 17.679 -24.241 -10.672 1.00 26.54 H new ATOM 0 HD12 LEU A 132 17.912 -25.345 -11.784 1.00 26.54 H new ATOM 0 HD13 LEU A 132 18.183 -23.819 -12.113 1.00 26.54 H new ATOM 0 HD21 LEU A 132 15.783 -22.620 -10.949 1.00 24.38 H new ATOM 0 HD22 LEU A 132 16.314 -22.262 -12.398 1.00 24.38 H new ATOM 0 HD23 LEU A 132 14.825 -22.766 -12.202 1.00 24.38 H new ATOM 1049 N THR A 133 16.100 -28.038 -13.077 1.00 13.36 N ATOM 1050 CA THR A 133 15.239 -29.113 -12.600 1.00 15.28 C ATOM 1051 C THR A 133 15.011 -29.108 -11.098 1.00 17.30 C ATOM 1052 O THR A 133 14.076 -29.774 -10.642 1.00 20.95 O ATOM 1053 CB THR A 133 15.773 -30.500 -12.991 1.00 21.10 C ATOM 1054 OG1 THR A 133 17.085 -30.699 -12.460 1.00 22.33 O ATOM 1055 CG2 THR A 133 15.789 -30.659 -14.515 1.00 29.28 C ATOM 0 H THR A 133 16.930 -28.110 -12.865 1.00 13.36 H new ATOM 0 HA THR A 133 14.391 -28.939 -13.038 1.00 15.28 H new ATOM 0 HB THR A 133 15.182 -31.171 -12.616 1.00 21.10 H new ATOM 0 HG1 THR A 133 17.651 -30.627 -13.076 1.00 22.33 H new ATOM 0 HG21 THR A 133 16.128 -31.538 -14.745 1.00 29.28 H new ATOM 0 HG22 THR A 133 14.888 -30.560 -14.860 1.00 29.28 H new ATOM 0 HG23 THR A 133 16.361 -29.980 -14.905 1.00 29.28 H new ATOM 1056 N LYS A 134 15.820 -28.386 -10.322 1.00 14.56 N ATOM 1057 CA LYS A 134 15.604 -28.325 -8.880 1.00 13.81 C ATOM 1058 C LYS A 134 16.099 -26.995 -8.335 1.00 15.19 C ATOM 1059 O LYS A 134 17.165 -26.514 -8.731 1.00 13.32 O ATOM 1060 CB LYS A 134 16.312 -29.465 -8.145 1.00 15.33 C ATOM 1061 CG LYS A 134 15.938 -29.563 -6.664 1.00 29.44 C ATOM 1062 CD LYS A 134 16.608 -30.751 -5.996 1.00 37.04 C ATOM 1063 CE LYS A 134 16.032 -31.022 -4.606 1.00 41.28 C ATOM 1064 NZ LYS A 134 16.122 -29.846 -3.699 1.00 30.29 N ATOM 0 H LYS A 134 16.491 -27.930 -10.608 1.00 14.56 H new ATOM 0 HA LYS A 134 14.650 -28.415 -8.728 1.00 13.81 H new ATOM 0 HB2 LYS A 134 16.097 -30.304 -8.582 1.00 15.33 H new ATOM 0 HB3 LYS A 134 17.271 -29.343 -8.221 1.00 15.33 H new ATOM 0 HG2 LYS A 134 16.197 -28.746 -6.209 1.00 29.44 H new ATOM 0 HG3 LYS A 134 14.975 -29.643 -6.577 1.00 29.44 H new ATOM 0 HD2 LYS A 134 16.497 -31.539 -6.551 1.00 37.04 H new ATOM 0 HD3 LYS A 134 17.561 -30.586 -5.924 1.00 37.04 H new ATOM 0 HE2 LYS A 134 15.103 -31.287 -4.693 1.00 41.28 H new ATOM 0 HE3 LYS A 134 16.504 -31.769 -4.206 1.00 41.28 H new ATOM 0 HZ1 LYS A 134 16.172 -30.125 -2.855 1.00 30.29 H new ATOM 0 HZ2 LYS A 134 16.849 -29.372 -3.898 1.00 30.29 H new ATOM 0 HZ3 LYS A 134 15.399 -29.336 -3.801 1.00 30.29 H new ATOM 1065 N PHE A 135 15.327 -26.420 -7.411 1.00 13.02 N ATOM 1066 CA PHE A 135 15.739 -25.230 -6.676 1.00 12.25 C ATOM 1067 C PHE A 135 15.260 -25.366 -5.240 1.00 13.89 C ATOM 1068 O PHE A 135 14.087 -25.670 -5.011 1.00 15.61 O ATOM 1069 CB PHE A 135 15.164 -23.945 -7.294 1.00 12.66 C ATOM 1070 CG PHE A 135 15.591 -22.690 -6.583 1.00 13.62 C ATOM 1071 CD1 PHE A 135 14.913 -22.241 -5.460 1.00 12.88 C ATOM 1072 CD2 PHE A 135 16.684 -21.956 -7.037 1.00 14.51 C ATOM 1073 CE1 PHE A 135 15.316 -21.093 -4.797 1.00 13.73 C ATOM 1074 CE2 PHE A 135 17.087 -20.799 -6.380 1.00 14.00 C ATOM 1075 CZ PHE A 135 16.405 -20.370 -5.260 1.00 14.60 C ATOM 0 H PHE A 135 14.548 -26.713 -7.195 1.00 13.02 H new ATOM 0 HA PHE A 135 16.706 -25.161 -6.715 1.00 12.25 H new ATOM 0 HB2 PHE A 135 15.439 -23.891 -8.223 1.00 12.66 H new ATOM 0 HB3 PHE A 135 14.195 -23.998 -7.288 1.00 12.66 H new ATOM 0 HD1 PHE A 135 14.178 -22.717 -5.147 1.00 12.88 H new ATOM 0 HD2 PHE A 135 17.150 -22.243 -7.789 1.00 14.51 H new ATOM 0 HE1 PHE A 135 14.856 -20.807 -4.041 1.00 13.73 H new ATOM 0 HE2 PHE A 135 17.816 -20.315 -6.695 1.00 14.00 H new ATOM 0 HZ PHE A 135 16.675 -19.598 -4.817 1.00 14.60 H new ATOM 1076 N ASN A 136 16.154 -25.125 -4.281 1.00 11.43 N ATOM 1077 CA ASN A 136 15.767 -25.180 -2.876 1.00 11.50 C ATOM 1078 C ASN A 136 16.563 -24.177 -2.056 1.00 12.17 C ATOM 1079 O ASN A 136 17.771 -24.035 -2.240 1.00 14.10 O ATOM 1080 CB ASN A 136 15.982 -26.569 -2.280 1.00 12.96 C ATOM 1081 CG ASN A 136 15.667 -26.602 -0.798 1.00 18.10 C ATOM 1082 OD1 ASN A 136 16.561 -26.486 0.054 1.00 18.59 O ATOM 1083 ND2 ASN A 136 14.382 -26.714 -0.478 1.00 20.12 N ATOM 0 H ASN A 136 16.980 -24.930 -4.422 1.00 11.43 H new ATOM 0 HA ASN A 136 14.822 -24.964 -2.842 1.00 11.50 H new ATOM 0 HB2 ASN A 136 15.421 -27.210 -2.744 1.00 12.96 H new ATOM 0 HB3 ASN A 136 16.902 -26.842 -2.421 1.00 12.96 H new ATOM 0 HD21 ASN A 136 14.142 -26.708 0.348 1.00 20.12 H new ATOM 0 HD22 ASN A 136 13.790 -26.793 -1.097 1.00 20.12 H new ATOM 1084 N VAL A 137 15.881 -23.504 -1.128 1.00 12.60 N ATOM 1085 CA VAL A 137 16.529 -22.727 -0.078 1.00 13.01 C ATOM 1086 C VAL A 137 16.240 -23.431 1.234 1.00 15.54 C ATOM 1087 O VAL A 137 15.083 -23.742 1.527 1.00 16.31 O ATOM 1088 CB VAL A 137 16.025 -21.273 -0.040 1.00 13.08 C ATOM 1089 CG1 VAL A 137 16.609 -20.534 1.171 1.00 15.27 C ATOM 1090 CG2 VAL A 137 16.379 -20.550 -1.328 1.00 16.76 C ATOM 0 H VAL A 137 15.022 -23.487 -1.093 1.00 12.60 H new ATOM 0 HA VAL A 137 17.483 -22.675 -0.246 1.00 13.01 H new ATOM 0 HB VAL A 137 15.059 -21.286 0.046 1.00 13.08 H new ATOM 0 HG11 VAL A 137 16.283 -19.621 1.181 1.00 15.27 H new ATOM 0 HG12 VAL A 137 16.337 -20.983 1.987 1.00 15.27 H new ATOM 0 HG13 VAL A 137 17.577 -20.530 1.112 1.00 15.27 H new ATOM 0 HG21 VAL A 137 16.054 -19.637 -1.287 1.00 16.76 H new ATOM 0 HG22 VAL A 137 17.342 -20.545 -1.442 1.00 16.76 H new ATOM 0 HG23 VAL A 137 15.967 -21.005 -2.079 1.00 16.76 H new ATOM 1091 N SER A 138 17.282 -23.701 2.011 1.00 11.91 N ATOM 1092 CA SER A 138 17.100 -24.336 3.310 1.00 15.26 C ATOM 1093 C SER A 138 16.649 -23.324 4.363 1.00 20.70 C ATOM 1094 O SER A 138 17.096 -22.171 4.382 1.00 20.39 O ATOM 1095 CB SER A 138 18.399 -24.992 3.756 1.00 22.10 C ATOM 1096 OG SER A 138 19.307 -23.983 4.139 1.00 19.08 O ATOM 0 H SER A 138 18.099 -23.526 1.806 1.00 11.91 H new ATOM 0 HA SER A 138 16.409 -25.010 3.218 1.00 15.26 H new ATOM 0 HB2 SER A 138 18.234 -25.595 4.498 1.00 22.10 H new ATOM 0 HB3 SER A 138 18.772 -25.524 3.036 1.00 22.10 H new ATOM 0 HG SER A 138 19.276 -23.880 4.972 1.00 19.08 H new ATOM 1097 N TYR A 139 15.777 -23.773 5.264 1.00 17.32 N ATOM 1098 CA TYR A 139 15.251 -22.937 6.339 1.00 18.79 C ATOM 1099 C TYR A 139 15.310 -23.675 7.665 1.00 24.33 C ATOM 1100 O TYR A 139 14.419 -23.540 8.509 1.00 27.43 O ATOM 1101 CB TYR A 139 13.818 -22.495 6.045 1.00 17.68 C ATOM 1102 CG TYR A 139 13.703 -21.496 4.913 1.00 18.80 C ATOM 1103 CD1 TYR A 139 13.947 -20.139 5.125 1.00 18.77 C ATOM 1104 CD2 TYR A 139 13.350 -21.909 3.633 1.00 16.39 C ATOM 1105 CE1 TYR A 139 13.839 -19.214 4.080 1.00 19.50 C ATOM 1106 CE2 TYR A 139 13.250 -21.002 2.590 1.00 19.52 C ATOM 1107 CZ TYR A 139 13.490 -19.659 2.818 1.00 20.44 C ATOM 1108 OH TYR A 139 13.377 -18.775 1.772 1.00 16.32 O ATOM 0 H TYR A 139 15.472 -24.577 5.268 1.00 17.32 H new ATOM 0 HA TYR A 139 15.806 -22.144 6.396 1.00 18.79 H new ATOM 0 HB2 TYR A 139 13.286 -23.277 5.830 1.00 17.68 H new ATOM 0 HB3 TYR A 139 13.438 -22.105 6.848 1.00 17.68 H new ATOM 0 HD1 TYR A 139 14.185 -19.844 5.974 1.00 18.77 H new ATOM 0 HD2 TYR A 139 13.178 -22.809 3.474 1.00 16.39 H new ATOM 0 HE1 TYR A 139 14.000 -18.311 4.233 1.00 19.50 H new ATOM 0 HE2 TYR A 139 13.022 -21.296 1.738 1.00 19.52 H new ATOM 0 HH TYR A 139 13.297 -19.201 1.052 1.00 16.32 H new ATOM 1109 N LEU A 140 16.372 -24.455 7.877 1.00 22.21 N ATOM 1110 CA LEU A 140 16.441 -25.344 9.030 1.00 22.17 C ATOM 1111 C LEU A 140 17.003 -24.679 10.281 1.00 29.24 C ATOM 1112 O LEU A 140 16.745 -25.164 11.389 1.00 19.70 O ATOM 1113 CB LEU A 140 17.281 -26.579 8.682 1.00 24.09 C ATOM 1114 CG LEU A 140 16.731 -27.448 7.542 1.00 27.96 C ATOM 1115 CD1 LEU A 140 17.476 -28.775 7.449 1.00 31.32 C ATOM 1116 CD2 LEU A 140 15.225 -27.679 7.686 1.00 21.78 C ATOM 0 H LEU A 140 17.061 -24.482 7.363 1.00 22.21 H new ATOM 0 HA LEU A 140 15.528 -25.597 9.237 1.00 22.17 H new ATOM 0 HB2 LEU A 140 18.175 -26.287 8.444 1.00 24.09 H new ATOM 0 HB3 LEU A 140 17.365 -27.129 9.477 1.00 24.09 H new ATOM 0 HG LEU A 140 16.877 -26.963 6.715 1.00 27.96 H new ATOM 0 HD11 LEU A 140 17.109 -29.302 6.722 1.00 31.32 H new ATOM 0 HD12 LEU A 140 18.417 -28.607 7.283 1.00 31.32 H new ATOM 0 HD13 LEU A 140 17.377 -29.261 8.283 1.00 31.32 H new ATOM 0 HD21 LEU A 140 14.910 -28.230 6.952 1.00 21.78 H new ATOM 0 HD22 LEU A 140 15.045 -28.128 8.527 1.00 21.78 H new ATOM 0 HD23 LEU A 140 14.764 -26.826 7.670 1.00 21.78 H new ATOM 1117 N LYS A 141 17.740 -23.582 10.141 1.00 29.13 N ATOM 1118 CA LYS A 141 18.426 -22.978 11.284 1.00 35.89 C ATOM 1119 C LYS A 141 17.713 -21.713 11.763 1.00 31.59 C ATOM 1120 O LYS A 141 17.178 -20.944 10.961 1.00 33.68 O ATOM 1121 CB LYS A 141 19.885 -22.669 10.922 1.00 36.87 C ATOM 1122 CG LYS A 141 20.743 -23.909 10.669 1.00 34.79 C ATOM 1123 CD LYS A 141 21.265 -24.490 11.973 1.00 43.87 C ATOM 1124 CE LYS A 141 22.140 -23.484 12.711 1.00 53.36 C ATOM 1125 NZ LYS A 141 22.544 -23.966 14.065 1.00 54.54 N ATOM 0 H LYS A 141 17.857 -23.171 9.395 1.00 29.13 H new ATOM 0 HA LYS A 141 18.410 -23.617 12.014 1.00 35.89 H new ATOM 0 HB2 LYS A 141 19.900 -22.110 10.129 1.00 36.87 H new ATOM 0 HB3 LYS A 141 20.284 -22.153 11.640 1.00 36.87 H new ATOM 0 HG2 LYS A 141 20.220 -24.578 10.200 1.00 34.79 H new ATOM 0 HG3 LYS A 141 21.489 -23.678 10.093 1.00 34.79 H new ATOM 0 HD2 LYS A 141 20.519 -24.749 12.537 1.00 43.87 H new ATOM 0 HD3 LYS A 141 21.775 -25.294 11.791 1.00 43.87 H new ATOM 0 HE2 LYS A 141 22.934 -23.303 12.185 1.00 53.36 H new ATOM 0 HE3 LYS A 141 21.661 -22.645 12.799 1.00 53.36 H new ATOM 0 HZ1 LYS A 141 23.052 -23.351 14.460 1.00 54.54 H new ATOM 0 HZ2 LYS A 141 21.817 -24.111 14.558 1.00 54.54 H new ATOM 0 HZ3 LYS A 141 23.004 -24.724 13.986 1.00 54.54 H new TER 1126 LYS A 141 HETATM 1127 O HOH A 201 23.164 -14.373 9.621 1.00 30.46 O HETATM 1128 O HOH A 202 37.286 -25.803 -7.617 1.00 30.36 O HETATM 1129 O HOH A 203 16.750 -20.751 8.609 1.00 31.27 O HETATM 1130 O HOH A 204 33.334 -29.797 -9.406 1.00 29.25 O HETATM 1131 O HOH A 205 7.636 -25.905 -12.948 1.00 28.75 O HETATM 1132 O HOH A 206 23.870 -30.433 -2.894 1.00 37.42 O HETATM 1133 O HOH A 207 13.621 -25.649 2.351 1.00 21.20 O HETATM 1134 O HOH A 208 30.656 -11.460 -17.894 1.00 37.27 O HETATM 1135 O HOH A 209 32.560 -24.602 4.291 1.00 15.99 O HETATM 1136 O HOH A 210 25.658 -10.973 1.691 1.00 13.34 O HETATM 1137 O HOH A 211 35.103 -27.588 -18.181 1.00 28.29 O HETATM 1138 O HOH A 212 32.607 -30.510 -11.875 1.00 24.83 O HETATM 1139 O HOH A 213 22.135 -25.520 5.276 1.00 32.39 O HETATM 1140 O HOH A 214 33.140 -7.492 2.749 1.00 34.54 O HETATM 1141 O HOH A 215 17.163 -19.524 4.799 1.00 18.28 O HETATM 1142 O HOH A 216 37.454 -12.871 4.718 1.00 28.70 O HETATM 1143 O HOH A 217 29.414 0.948 -11.091 1.00 32.28 O HETATM 1144 O HOH A 218 10.049 -6.498 -1.942 1.00 21.40 O HETATM 1145 O HOH A 219 18.924 -30.426 -14.640 1.00 31.26 O HETATM 1146 O HOH A 220 16.181 -5.802 1.904 1.00 24.13 O HETATM 1147 O HOH A 221 13.689 -11.971 3.515 1.00 21.05 O HETATM 1148 O HOH A 222 18.544 -10.375 -11.482 1.00 19.06 O HETATM 1149 O HOH A 223 12.941 -19.596 -0.709 1.00 17.44 O HETATM 1150 O HOH A 224 11.438 -7.932 -17.587 1.00 28.87 O HETATM 1151 O HOH A 225 30.558 -2.928 -1.724 1.00 28.19 O HETATM 1152 O HOH A 226 27.691 -28.267 -16.945 1.00 20.75 O HETATM 1153 O HOH A 227 37.426 -11.604 -16.111 1.00 43.73 O HETATM 1154 O HOH A 228 33.198 -21.369 -23.636 1.00 19.13 O HETATM 1155 O HOH A 229 16.934 -2.468 -1.339 1.00 25.30 O HETATM 1156 O HOH A 230 17.537 -29.527 -16.791 1.00 28.84 O HETATM 1157 O HOH A 231 27.452 -2.431 2.920 1.00 31.71 O HETATM 1158 O HOH A 232 21.229 -18.308 11.222 1.00 31.10 O HETATM 1159 O HOH A 233 23.043 -28.554 -1.179 1.00 28.33 O HETATM 1160 O HOH A 234 8.677 -19.062 -6.805 1.00 19.58 O HETATM 1161 O HOH A 235 37.163 -27.823 -16.366 1.00 46.66 O HETATM 1162 O HOH A 236 10.675 -15.336 -12.930 1.00 28.25 O HETATM 1163 O HOH A 237 16.424 -10.485 -13.351 1.00 28.74 O HETATM 1164 O HOH A 238 26.812 -27.476 -22.134 1.00 16.64 O HETATM 1165 O HOH A 239 37.001 -15.138 2.682 1.00 22.05 O HETATM 1166 O HOH A 240 38.611 -20.616 -17.595 1.00 32.40 O HETATM 1167 O HOH A 241 19.224 -26.115 -0.169 1.00 14.48 O HETATM 1168 O HOH A 242 31.560 -27.324 -26.906 1.00 18.22 O HETATM 1169 O HOH A 243 15.628 -11.323 6.303 1.00 25.83 O HETATM 1170 O HOH A 244 33.001 -9.316 -1.334 1.00 14.65 O HETATM 1171 O HOH A 245 27.739 -24.419 -0.640 1.00 29.11 O HETATM 1172 O HOH A 246 32.036 -33.028 -20.815 1.00 30.94 O HETATM 1173 O HOH A 247 26.077 -14.705 7.529 1.00 28.14 O HETATM 1174 O HOH A 248 28.406 -13.270 10.586 1.00 36.08 O HETATM 1175 O HOH A 249 35.704 -14.758 -0.175 1.00 19.15 O HETATM 1176 O HOH A 250 38.191 -7.577 -7.110 1.00 31.86 O HETATM 1177 O HOH A 251 17.842 -27.307 12.632 1.00 39.22 O HETATM 1178 O HOH A 252 6.847 -7.638 -6.990 1.00 42.64 O HETATM 1179 O HOH A 253 18.897 -23.914 6.826 1.00 27.87 O HETATM 1180 O HOH A 254 26.715 -15.408 11.813 1.00 31.79 O HETATM 1181 O HOH A 255 17.429 -12.712 3.927 1.00 13.91 O HETATM 1182 O HOH A 256 16.698 -18.365 -20.239 1.00 18.60 O HETATM 1183 O HOH A 257 10.272 -8.517 -13.708 1.00 35.90 O HETATM 1184 O HOH A 258 31.899 -2.328 -11.575 1.00 38.37 O HETATM 1185 O HOH A 259 35.577 -28.862 -1.818 1.00 19.35 O HETATM 1186 O HOH A 260 18.913 -26.219 -25.624 1.00 32.47 O HETATM 1187 O HOH A 261 26.180 2.882 -4.818 1.00 28.73 O HETATM 1188 O HOH A 262 11.458 -17.764 -20.583 1.00 28.54 O HETATM 1189 O HOH A 263 26.764 -26.656 0.556 1.00 32.95 O HETATM 1190 O HOH A 264 24.503 -10.680 9.180 1.00 30.06 O HETATM 1191 O HOH A 265 18.890 -17.135 -21.724 0.50 26.08 O HETATM 1192 O HOH A 266 8.794 -21.820 -7.524 1.00 26.86 O HETATM 1193 O HOH A 267 14.437 -19.983 -20.429 1.00 18.82 O HETATM 1194 O HOH A 268 33.900 -20.218 -27.862 1.00 25.82 O HETATM 1195 O HOH A 269 13.633 -24.537 -19.442 1.00 31.47 O HETATM 1196 O HOH A 270 28.489 -17.608 -28.679 1.00 17.70 O HETATM 1197 O HOH A 271 27.023 -9.250 -0.022 1.00 12.18 O HETATM 1198 O HOH A 272 37.805 -26.560 -11.244 1.00 34.34 O HETATM 1199 O HOH A 273 24.064 0.249 -12.889 1.00 35.34 O HETATM 1200 O HOH A 274 36.113 -13.549 -2.987 1.00 26.22 O HETATM 1201 O HOH A 275 15.400 -22.678 -19.950 1.00 18.15 O HETATM 1202 O HOH A 276 25.099 -34.919 -17.002 1.00 28.85 O HETATM 1203 O HOH A 277 9.814 -4.690 -11.848 1.00 41.36 O HETATM 1204 O HOH A 278 33.275 -32.829 -8.040 1.00 38.15 O HETATM 1205 O HOH A 279 24.328 -28.895 -21.962 1.00 25.75 O HETATM 1206 O HOH A 280 9.963 -17.094 -16.332 1.00 27.32 O HETATM 1207 O HOH A 281 16.767 0.245 -9.480 1.00 31.47 O HETATM 1208 O HOH A 282 16.415 -27.606 2.647 1.00 25.63 O HETATM 1209 O HOH A 283 28.673 -8.986 -14.313 1.00 30.65 O HETATM 1210 O HOH A 284 13.019 -23.664 -1.440 1.00 16.21 O HETATM 1211 O HOH A 285 34.177 -29.355 -20.044 1.00 27.96 O HETATM 1212 O HOH A 286 15.126 -8.029 4.792 1.00 37.95 O HETATM 1213 O HOH A 287 14.107 -26.050 4.916 1.00 19.61 O HETATM 1214 O HOH A 288 19.740 -1.983 -8.187 1.00 11.78 O HETATM 1215 O HOH A 289 30.477 -31.590 -0.880 1.00 38.15 O HETATM 1216 O HOH A 290 32.720 -17.291 7.015 1.00 22.83 O HETATM 1217 O HOH A 291 18.018 -3.684 8.507 1.00 41.73 O HETATM 1218 O HOH A 292 30.516 -3.445 2.432 1.00 37.72 O HETATM 1219 O HOH A 293 34.848 -3.662 -10.925 1.00 28.97 O HETATM 1220 O HOH A 294 11.748 -29.288 -9.028 1.00 36.43 O HETATM 1221 O HOH A 295 33.521 -10.877 5.618 1.00 30.58 O HETATM 1222 O HOH A 296 19.144 -19.299 -24.453 1.00 14.09 O HETATM 1223 O HOH A 297 16.951 -13.635 7.035 1.00 22.13 O HETATM 1224 O HOH A 298 29.799 -15.520 -27.522 1.00 28.53 O HETATM 1225 O HOH A 299 39.200 -10.314 -9.692 1.00 29.81 O HETATM 1226 O HOH A 300 18.200 0.520 -5.460 1.00 30.98 O HETATM 1227 O HOH A 301 35.787 -7.405 -3.208 1.00 26.18 O HETATM 1228 O HOH A 302 19.568 -28.037 -20.996 1.00 27.48 O HETATM 1229 O HOH A 303 30.311 -7.490 -12.354 1.00 27.40 O HETATM 1230 O HOH A 304 16.801 -1.959 -4.225 1.00 18.09 O HETATM 1231 O HOH A 305 10.308 -7.065 -11.270 1.00 25.27 O HETATM 1232 O HOH A 306 27.456 -28.855 -5.292 1.00 20.45 O HETATM 1233 O HOH A 307 28.104 -30.131 -25.225 1.00 28.62 O HETATM 1234 O HOH A 308 22.622 -14.980 -21.724 0.50 18.58 O HETATM 1235 O HOH A 309 26.897 0.477 -12.357 1.00 22.62 O HETATM 1236 O HOH A 310 24.567 4.767 -5.977 1.00 17.04 O HETATM 1237 O HOH A 311 10.155 -11.694 -0.181 1.00 22.15 O HETATM 1238 O HOH A 312 30.799 -14.008 -16.763 1.00 29.10 O HETATM 1239 O HOH A 313 35.681 -16.832 7.024 1.00 24.03 O HETATM 1240 O HOH A 314 38.622 -8.247 -10.642 1.00 39.14 O HETATM 1241 O HOH A 315 39.262 -24.766 -14.091 1.00 25.35 O HETATM 1242 O HOH A 316 11.316 -21.758 -19.008 1.00 32.23 O HETATM 1243 O HOH A 317 12.600 -27.624 -7.062 1.00 17.81 O HETATM 1244 O HOH A 318 9.652 -18.723 -10.819 1.00 25.03 O HETATM 1245 O HOH A 319 29.806 -14.423 -25.103 1.00 37.68 O HETATM 1246 O HOH A 320 37.785 -8.244 -13.091 1.00 43.86 O HETATM 1247 O HOH A 321 28.584 -15.688 -22.370 1.00 32.57 O HETATM 1248 O HOH A 322 23.167 4.136 -9.352 1.00 40.98 O HETATM 1249 O HOH A 323 11.367 -11.100 -13.030 1.00 27.35 O HETATM 1250 O HOH A 324 26.538 -12.682 8.768 1.00 32.09 O HETATM 1251 O HOH A 325 13.641 -11.545 -14.252 1.00 27.55 O HETATM 1252 O HOH A 326 19.388 -13.926 11.308 1.00 36.80 O HETATM 1253 O HOH A 327 35.114 -11.321 -1.873 1.00 16.90 O HETATM 1254 O HOH A 328 38.343 -11.280 1.023 1.00 37.53 O HETATM 1255 O HOH A 329 36.025 -16.936 -5.641 1.00 21.68 O HETATM 1256 O HOH A 330 19.842 -22.680 15.015 1.00 46.24 O HETATM 1257 O HOH A 331 32.967 -3.326 -3.728 1.00 28.27 O HETATM 1258 O HOH A 332 16.254 -30.093 -0.507 1.00 37.50 O HETATM 1259 O HOH A 333 18.856 -21.457 7.718 1.00 29.80 O HETATM 1260 O HOH A 334 7.484 -23.945 -16.597 1.00 43.40 O HETATM 1261 O HOH A 335 24.574 -29.497 -24.624 1.00 45.61 O HETATM 1262 O HOH A 336 27.294 -22.084 7.848 1.00 39.42 O HETATM 1263 O HOH A 337 38.452 -23.106 -18.643 1.00 39.73 O HETATM 1264 O HOH A 338 9.273 -5.076 -4.291 1.00 37.78 O HETATM 1265 O HOH A 339 20.165 2.407 -11.555 1.00 33.10 O HETATM 1266 O HOH A 340 20.682 -26.092 7.793 1.00 40.68 O HETATM 1267 O HOH A 341 35.928 -25.111 -19.720 1.00 29.04 O HETATM 1268 O HOH A 342 29.935 -8.580 -16.151 1.00 38.75 O HETATM 1269 O HOH A 343 39.828 -25.802 -7.563 1.00 36.45 O HETATM 1270 O HOH A 344 16.421 -18.294 7.118 1.00 32.78 O HETATM 1271 O HOH A 345 34.373 -26.700 -26.659 1.00 43.57 O HETATM 1272 O HOH A 346 18.689 -30.076 -0.962 1.00 40.04 O HETATM 1273 O HOH A 347 32.307 -33.047 -12.721 1.00 41.95 O HETATM 1274 O HOH A 348 24.869 -13.683 -21.724 0.50 32.51 O HETATM 1275 O HOH A 349 10.859 -20.419 -21.159 1.00 36.09 O HETATM 1276 O HOH A 350 25.758 -22.461 10.400 1.00 36.17 O HETATM 1277 O HOH A 351 18.614 3.283 -5.872 1.00 38.17 O HETATM 1278 O HOH A 352 20.613 -27.386 5.255 1.00 43.48 O HETATM 1279 O HOH A 353 35.072 -4.691 -2.413 1.00 35.37 O HETATM 1280 O HOH A 354 9.397 -10.766 -9.700 1.00 41.40 O HETATM 1281 O HOH A 355 36.990 -4.665 -12.841 1.00 44.44 O HETATM 1282 O HOH A 356 34.266 -7.577 0.367 1.00 26.57 O HETATM 1283 O HOH A 357 20.452 -27.866 1.773 1.00 26.55 O HETATM 1284 O HOH A 358 39.318 -25.228 -16.974 1.00 38.16 O HETATM 1285 O HOH A 359 29.684 -5.852 6.272 1.00 40.69 O HETATM 1286 O HOH A 360 22.391 -15.883 12.212 1.00 49.12 O HETATM 1287 O HOH A 361 34.049 -4.816 -0.100 1.00 39.02 O HETATM 1288 O HOH A 362 33.968 -0.710 -4.145 1.00 38.73 O HETATM 1289 O HOH A 363 32.770 -18.108 10.825 1.00 33.22 O HETATM 1290 O HOH A 364 25.951 -5.744 8.315 1.00 31.76 O HETATM 1291 O HOH A 365 28.299 -29.989 -1.477 1.00 34.06 O HETATM 1292 O HOH A 366 8.032 -15.107 -12.412 1.00 36.83 O HETATM 1293 O HOH A 367 8.391 -21.250 -10.158 1.00 29.16 O HETATM 1294 O HOH A 368 22.483 -29.183 1.408 1.00 36.94 O HETATM 1295 O HOH A 369 8.604 -7.864 -0.238 1.00 37.54 O HETATM 1296 O HOH A 370 7.706 -13.615 -10.099 1.00 39.96 O HETATM 1297 O HOH A 371 7.113 -14.774 -7.838 1.00 40.54 O HETATM 1298 O HOH A 372 36.836 -32.109 -4.863 1.00 40.77 O HETATM 1299 O HOH A 373 41.121 -28.260 -9.749 1.00 40.62 O HETATM 1300 O HOH A 374 31.852 -30.086 1.341 1.00 38.88 O HETATM 1301 O HOH A 375 35.260 -14.236 -28.351 1.00 44.47 O HETATM 1302 O HOH A 376 37.428 -7.776 1.094 1.00 42.73 O HETATM 1303 O HOH A 377 32.006 -3.613 0.697 1.00 35.62 O HETATM 1304 O HOH A 378 14.518 -1.304 -5.138 1.00 46.59 O HETATM 1305 O HOH A 379 37.754 -6.994 -4.517 1.00 35.05 O HETATM 1306 O HOH A 380 18.743 -28.509 3.683 1.00 28.51 O HETATM 1307 O HOH A 381 39.722 -9.859 -7.036 1.00 34.83 O HETATM 1308 O HOH A 382 37.212 -3.146 -3.050 1.00 41.56 O HETATM 1309 O HOH A 383 7.750 -12.215 -7.832 1.00 43.65 O HETATM 1310 O HOH A 384 25.403 -8.151 9.650 1.00 42.50 O HETATM 1311 O HOH A 385 15.821 0.996 -12.235 1.00 32.75 O HETATM 1312 O HOH A 386 38.630 -13.423 -4.081 1.00 22.45 O HETATM 1313 O HOH A 387 36.740 -9.158 -1.393 1.00 36.94 O HETATM 1314 O HOH A 388 30.184 -21.284 11.245 1.00 39.75 O HETATM 1315 O HOH A 389 28.000 -9.005 11.251 1.00 47.64 O HETATM 1316 O HOH A 390 39.005 -9.024 -3.023 1.00 33.58 O HETATM 1317 O HOH A 391 39.711 -10.944 -4.719 1.00 33.66 O HETATM 1318 O HOH A 392 18.333 -31.016 4.312 1.00 35.98 O HETATM 1319 O HOH A 393 42.726 -9.642 -7.141 1.00 47.03 O HETATM 1320 O HOH A 394 41.393 -8.418 -1.854 1.00 47.64 O END