USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER FATTY ACID BINDING PROTEIN 23-DEC-97 1A18 TITLE PHENANTHROLINE MODIFIED MURINE ADIPOCYTE LIPID BINDING TITLE 2 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: ADIPOCYTE LIPID BINDING PROTEIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: ALBP-PHEN; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: PROTEIN MODIFIED BY REACTION WITH COMPND 7 IODOACETAMIDO-1,10-PHENANTHROLINE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; SOURCE 3 ORGANISM_COMMON: HOUSE MOUSE; SOURCE 4 ORGANISM_TAXID: 10090; SOURCE 5 CELL: ADIPOCYTE; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 OTHER_DETAILS: SEE DAVIES AND DISTEFANO, JACS 119, 11643- SOURCE 9 11652 (1977) KEYWDS FATTY ACID BINDING PROTEIN, TRANSPORT, PHOSPHORYLATION EXPDTA X-RAY DIFFRACTION AUTHOR J.ORY,A.MAZHARY,H.KUANG,R.DAVIES,M.DISTEFANO,L.BANASZAK REVDAT 2 24-FEB-09 1A18 1 VERSN REVDAT 1 01-JUL-98 1A18 0 JRNL AUTH J.J.ORY,A.MAZHARY,H.KUANG,R.R.DAVIES,M.D.DISTEFANO, JRNL AUTH 2 L.J.BANASZAK JRNL TITL STRUCTURAL CHARACTERIZATION OF TWO SYNTHETIC JRNL TITL 2 CATALYSTS BASED ON ADIPOCYTE LIPID-BINDING PROTEIN. JRNL REF PROTEIN ENG. V. 11 253 1998 JRNL REFN ISSN 0269-2139 JRNL PMID 9680187 JRNL DOI 10.1093/PROTEIN/11.4.253 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 2.40 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.843 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.40 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 25.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1000000.000 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0010 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 96.3 REMARK 3 NUMBER OF REFLECTIONS : 7615 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.196 REMARK 3 FREE R VALUE : 0.273 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 6.400 REMARK 3 FREE R VALUE TEST SET COUNT : 498 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.012 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 8 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.40 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.51 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 75.00 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 651 REMARK 3 BIN R VALUE (WORKING SET) : 0.3270 REMARK 3 BIN FREE R VALUE : 0.4240 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 8.60 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 43 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.050 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1035 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 38 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL 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 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM SIGMAA (A) : NULL REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : NULL REMARK 3 ESD FROM C-V SIGMAA (A) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : NULL REMARK 3 BOND ANGLES (DEGREES) : NULL REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PARHCSDX.PRO REMARK 3 PARAMETER FILE 2 : PHN.PARAM REMARK 3 PARAMETER FILE 3 : NULL REMARK 3 TOPOLOGY FILE 1 : TOPHCSDX.PRO REMARK 3 TOPOLOGY FILE 2 : PHN.TOPPAR REMARK 3 TOPOLOGY FILE 3 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1A18 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : JUN-96 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE(002) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : SIEMENS REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XENGEN REMARK 200 DATA SCALING SOFTWARE : XENGEN REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 7640 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.400 REMARK 200 RESOLUTION RANGE LOW (A) : 25.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.7 REMARK 200 DATA REDUNDANCY : 4.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.07800 REMARK 200 FOR THE DATA SET : 13.1000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.37 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.52 REMARK 200 COMPLETENESS FOR SHELL (%) : 62.4 REMARK 200 DATA REDUNDANCY IN SHELL : 2.00 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.32500 REMARK 200 FOR SHELL : 2.300 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 1LIB REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.60 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 6.5 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -X,Y,-Z+1/2 REMARK 290 4555 X,-Y,-Z REMARK 290 5555 X+1/2,Y+1/2,Z REMARK 290 6555 -X+1/2,-Y+1/2,Z+1/2 REMARK 290 7555 -X+1/2,Y+1/2,-Z+1/2 REMARK 290 8555 X+1/2,-Y+1/2,-Z 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 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 24.92500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 24.92500 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 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 40.01000 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 48.57500 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 6 -1.000000 0.000000 0.000000 40.01000 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 48.57500 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 24.92500 REMARK 290 SMTRY1 7 -1.000000 0.000000 0.000000 40.01000 REMARK 290 SMTRY2 7 0.000000 1.000000 0.000000 48.57500 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 24.92500 REMARK 290 SMTRY1 8 1.000000 0.000000 0.000000 40.01000 REMARK 290 SMTRY2 8 0.000000 -1.000000 0.000000 48.57500 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 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 BIOMT1 2 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 350 BIOMT3 2 0.000000 0.000000 -1.000000 -99.70000 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 A1023 LIES ON A SPECIAL POSITION. DBREF 1A18 A 1 131 UNP P04117 FABPA_MOUSE 1 131 SEQADV 1A18 NPH A 117 UNP P04117 CYS 117 MODIFIED RESIDUE SEQRES 1 A 131 CYS ASP ALA PHE VAL GLY THR TRP LYS LEU VAL SER SER SEQRES 2 A 131 GLU ASN PHE ASP ASP TYR MET LYS GLU VAL GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG LYS VAL ALA GLY MET ALA LYS PRO ASN SEQRES 4 A 131 MET ILE ILE SER VAL ASN GLY ASP LEU VAL THR ILE ARG SEQRES 5 A 131 SER GLU SER THR PHE LYS ASN THR GLU ILE SER PHE LYS SEQRES 6 A 131 LEU GLY VAL GLU PHE ASP GLU ILE THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER ILE ILE THR LEU ASP GLY GLY ALA LEU SEQRES 8 A 131 VAL GLN VAL GLN LYS TRP ASP GLY LYS SER THR THR ILE SEQRES 9 A 131 LYS ARG LYS ARG ASP GLY ASP LYS LEU VAL VAL GLU NPH SEQRES 10 A 131 VAL MET LYS GLY VAL THR SER THR ARG VAL TYR GLU ARG SEQRES 11 A 131 ALA MODRES 1A18 NPH A 117 CYS HET NPH A 117 24 HETNAM NPH CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE FORMUL 1 NPH C17 H16 N4 O3 S FORMUL 2 HOH *38(H2 O) HELIX 1 1 ASP A 2 PHE A 4 5 3 HELIX 2 2 PHE A 16 VAL A 23 1 8 HELIX 3 3 PHE A 27 GLY A 34 1 8 SHEET 1 A10 THR A 60 PHE A 64 0 SHEET 2 A10 LEU A 48 GLU A 54 -1 N SER A 53 O THR A 60 SHEET 3 A10 ASN A 39 ASN A 45 -1 N ASN A 45 O LEU A 48 SHEET 4 A10 GLY A 6 GLU A 14 -1 N TRP A 8 O MET A 40 SHEET 5 A10 VAL A 122 ARG A 130 -1 N GLU A 129 O LYS A 9 SHEET 6 A10 LYS A 112 MET A 119 -1 N MET A 119 O VAL A 122 SHEET 7 A10 LYS A 100 ASP A 109 -1 N ASP A 109 O LYS A 112 SHEET 8 A10 ALA A 90 TRP A 97 -1 N TRP A 97 O LYS A 100 SHEET 9 A10 LYS A 79 ASP A 87 -1 N ASP A 87 O ALA A 90 SHEET 10 A10 PHE A 70 ILE A 73 -1 N GLU A 72 O VAL A 80 LINK N NPH A 117 C GLU A 116 1555 1555 1.33 LINK C NPH A 117 N VAL A 118 1555 1555 1.33 CRYST1 80.020 97.150 49.850 90.00 90.00 90.00 C 2 2 21 8 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 0.012497 0.000000 0.000000 0.00000 SCALE2 0.000000 0.010293 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020060 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 NoAdj-H: A 117 NPH H2 : A 117 NPH N : A 116 GLU C :(H bumps) USER MOD NoAdj-H: A 117 NPH H : A 117 NPH N : A 116 GLU C :(H bumps) USER MOD Set 1.1: A 40 MET CE :methyl 145:sc= -0.0578 (180deg=-0.329) USER MOD Set 1.2: A 128 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 19 TYR OH : rot -11:sc= 1.24 USER MOD Set 2.2: A 102 THR OG1 : rot 34:sc= 2.05 USER MOD Set 3.1: A 82 SER OG : rot 157:sc= -0.153 USER MOD Set 3.2: A 93 GLN : amide:sc= 0.208 K(o=0.055,f=-3.2!) USER MOD Single : A 1 CYS N :NH3+ -175:sc= 0.0469 (180deg=0.0385) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0437 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -130:sc= -1.58 (180deg=-3.75!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -150:sc= -0.204 USER MOD Single : A 15 ASN : amide:sc=-0.00512 X(o=-0.0051,f=0) USER MOD Single : A 20 MET CE :methyl -155:sc= -2.29! (180deg=-3.26) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -16:sc= 0.0362 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 161:sc= -0.223 (180deg=-0.912) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 43 SER OG : rot -139:sc= 0.642 USER MOD Single : A 45 ASN : amide:sc=-0.00575 K(o=-0.0057,f=-0.86) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 133:sc= 0.851 USER MOD Single : A 55 SER OG : rot -161:sc= -2.54! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.0379 (180deg=0.0225) USER MOD Single : A 59 ASN : amide:sc= -3.5! K(o=-3.5!,f=-0.36) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : A 63 SER OG : rot 180:sc=-0.000467 USER MOD Single : A 65 LYS NZ :NH3+ -161:sc= 0.336 (180deg=0.19) USER MOD Single : A 74 THR OG1 : rot 120:sc= 0.452 USER MOD Single : A 79 LYS NZ :NH3+ 152:sc= 0.0963 (180deg=0.00543) USER MOD Single : A 81 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0389) USER MOD Single : A 85 THR OG1 : rot -84:sc= 1.11 USER MOD Single : A 95 GLN : amide:sc= 0.0392 K(o=0.039,f=-1.5) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 131:sc= -2.17! (180deg=-4.21!) USER MOD Single : A 107 LYS NZ :NH3+ -148:sc= 0.226 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ -116:sc= 0.0042 (180deg=-0.0341) USER MOD Single : A 119 MET CE :methyl -151:sc= -1.39 (180deg=-3.03!) USER MOD Single : A 120 LYS NZ :NH3+ -123:sc= 0.00447 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 38:sc= -0.177 USER MOD Single : A 125 THR OG1 : rot 93:sc= 0.738 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 41.272 7.927 -56.483 1.00 44.87 N ATOM 2 CA CYS A 1 40.571 9.126 -55.942 1.00 41.71 C ATOM 3 C CYS A 1 41.440 10.386 -55.943 1.00 38.08 C ATOM 4 O CYS A 1 41.256 11.281 -55.115 1.00 36.43 O ATOM 5 CB CYS A 1 40.055 8.833 -54.532 1.00 39.06 C ATOM 6 SG CYS A 1 41.291 8.128 -53.442 1.00 42.77 S ATOM 0 H1 CYS A 1 40.702 7.245 -56.527 1.00 44.87 H new ATOM 0 H2 CYS A 1 41.583 8.107 -57.297 1.00 44.87 H new ATOM 0 H3 CYS A 1 41.950 7.713 -55.948 1.00 44.87 H new ATOM 0 HA CYS A 1 39.826 9.310 -56.535 1.00 41.71 H new ATOM 0 HB2 CYS A 1 39.722 9.656 -54.141 1.00 39.06 H new ATOM 0 HB3 CYS A 1 39.303 8.223 -54.592 1.00 39.06 H new ATOM 0 HG CYS A 1 40.807 7.932 -52.362 1.00 42.77 H new ATOM 7 N ASP A 2 42.366 10.465 -56.895 1.00 41.37 N ATOM 8 CA ASP A 2 43.253 11.617 -57.014 1.00 43.37 C ATOM 9 C ASP A 2 42.583 12.834 -57.635 1.00 35.58 C ATOM 10 O ASP A 2 43.159 13.921 -57.670 1.00 38.51 O ATOM 11 CB ASP A 2 44.501 11.254 -57.812 1.00 55.07 C ATOM 12 CG ASP A 2 45.724 11.138 -56.938 1.00 64.10 C ATOM 13 OD1 ASP A 2 45.964 10.034 -56.402 1.00 71.17 O ATOM 14 OD2 ASP A 2 46.428 12.159 -56.767 1.00 62.17 O ATOM 0 H ASP A 2 42.497 9.855 -57.487 1.00 41.37 H new ATOM 0 HA ASP A 2 43.498 11.860 -56.108 1.00 43.37 H new ATOM 0 HB2 ASP A 2 44.355 10.413 -58.273 1.00 55.07 H new ATOM 0 HB3 ASP A 2 44.655 11.928 -58.493 1.00 55.07 H new ATOM 15 N ALA A 3 41.370 12.640 -58.137 1.00 28.02 N ATOM 16 CA ALA A 3 40.609 13.720 -58.744 1.00 28.01 C ATOM 17 C ALA A 3 39.995 14.617 -57.670 1.00 29.12 C ATOM 18 O ALA A 3 39.612 15.753 -57.949 1.00 39.41 O ATOM 19 CB ALA A 3 39.515 13.146 -59.633 1.00 23.29 C ATOM 0 H ALA A 3 40.967 11.880 -58.135 1.00 28.02 H new ATOM 0 HA ALA A 3 41.210 14.257 -59.284 1.00 28.01 H new ATOM 0 HB1 ALA A 3 39.011 13.871 -60.035 1.00 23.29 H new ATOM 0 HB2 ALA A 3 39.916 12.605 -60.331 1.00 23.29 H new ATOM 0 HB3 ALA A 3 38.920 12.596 -59.100 1.00 23.29 H new ATOM 20 N PHE A 4 39.918 14.106 -56.444 1.00 23.62 N ATOM 21 CA PHE A 4 39.331 14.849 -55.336 1.00 12.37 C ATOM 22 C PHE A 4 40.343 15.632 -54.507 1.00 18.90 C ATOM 23 O PHE A 4 39.977 16.574 -53.802 1.00 20.87 O ATOM 24 CB PHE A 4 38.534 13.900 -54.442 1.00 10.74 C ATOM 25 CG PHE A 4 37.432 13.185 -55.164 1.00 10.86 C ATOM 26 CD1 PHE A 4 36.180 13.772 -55.303 1.00 10.18 C ATOM 27 CD2 PHE A 4 37.655 11.939 -55.736 1.00 14.14 C ATOM 28 CE1 PHE A 4 35.166 13.131 -56.003 1.00 13.99 C ATOM 29 CE2 PHE A 4 36.646 11.286 -56.441 1.00 9.42 C ATOM 30 CZ PHE A 4 35.401 11.882 -56.576 1.00 10.19 C ATOM 0 H PHE A 4 40.203 13.323 -56.233 1.00 23.62 H new ATOM 0 HA PHE A 4 38.745 15.513 -55.732 1.00 12.37 H new ATOM 0 HB2 PHE A 4 39.138 13.245 -54.058 1.00 10.74 H new ATOM 0 HB3 PHE A 4 38.155 14.403 -53.705 1.00 10.74 H new ATOM 0 HD1 PHE A 4 36.019 14.605 -54.922 1.00 10.18 H new ATOM 0 HD2 PHE A 4 38.488 11.536 -55.647 1.00 14.14 H new ATOM 0 HE1 PHE A 4 34.332 13.534 -56.089 1.00 13.99 H new ATOM 0 HE2 PHE A 4 36.807 10.452 -56.820 1.00 9.42 H new ATOM 0 HZ PHE A 4 34.725 11.450 -57.047 1.00 10.19 H new ATOM 31 N VAL A 5 41.616 15.267 -54.629 1.00 15.08 N ATOM 32 CA VAL A 5 42.691 15.918 -53.884 1.00 18.34 C ATOM 33 C VAL A 5 42.775 17.426 -54.125 1.00 20.84 C ATOM 34 O VAL A 5 42.713 17.886 -55.265 1.00 38.92 O ATOM 35 CB VAL A 5 44.055 15.258 -54.208 1.00 21.65 C ATOM 36 CG1 VAL A 5 45.191 15.981 -53.494 1.00 17.83 C ATOM 37 CG2 VAL A 5 44.029 13.787 -53.800 1.00 25.16 C ATOM 0 H VAL A 5 41.882 14.634 -55.147 1.00 15.08 H new ATOM 0 HA VAL A 5 42.478 15.795 -52.946 1.00 18.34 H new ATOM 0 HB VAL A 5 44.209 15.322 -55.164 1.00 21.65 H new ATOM 0 HG11 VAL A 5 46.034 15.553 -53.710 1.00 17.83 H new ATOM 0 HG12 VAL A 5 45.217 16.907 -53.781 1.00 17.83 H new ATOM 0 HG13 VAL A 5 45.046 15.944 -52.536 1.00 17.83 H new ATOM 0 HG21 VAL A 5 44.885 13.379 -54.005 1.00 25.16 H new ATOM 0 HG22 VAL A 5 43.858 13.718 -52.848 1.00 25.16 H new ATOM 0 HG23 VAL A 5 43.327 13.328 -54.288 1.00 25.16 H new ATOM 38 N GLY A 6 42.891 18.187 -53.038 1.00 26.12 N ATOM 39 CA GLY A 6 42.993 19.635 -53.139 1.00 29.95 C ATOM 40 C GLY A 6 42.216 20.401 -52.082 1.00 26.34 C ATOM 41 O GLY A 6 41.670 19.815 -51.150 1.00 34.19 O ATOM 0 H GLY A 6 42.912 17.881 -52.234 1.00 26.12 H new ATOM 0 HA2 GLY A 6 43.928 19.886 -53.081 1.00 29.95 H new ATOM 0 HA3 GLY A 6 42.680 19.909 -54.015 1.00 29.95 H new ATOM 42 N THR A 7 42.194 21.723 -52.220 1.00 28.07 N ATOM 43 CA THR A 7 41.473 22.601 -51.301 1.00 22.77 C ATOM 44 C THR A 7 40.276 23.144 -52.072 1.00 21.63 C ATOM 45 O THR A 7 40.424 23.581 -53.213 1.00 30.40 O ATOM 46 CB THR A 7 42.360 23.765 -50.841 1.00 21.18 C ATOM 47 OG1 THR A 7 43.614 23.245 -50.383 1.00 28.49 O ATOM 48 CG2 THR A 7 41.698 24.521 -49.703 1.00 19.00 C ATOM 0 H THR A 7 42.600 22.140 -52.854 1.00 28.07 H new ATOM 0 HA THR A 7 41.201 22.113 -50.508 1.00 22.77 H new ATOM 0 HB THR A 7 42.495 24.370 -51.587 1.00 21.18 H new ATOM 0 HG1 THR A 7 44.105 23.878 -50.131 1.00 28.49 H new ATOM 0 HG21 THR A 7 42.271 25.253 -49.424 1.00 19.00 H new ATOM 0 HG22 THR A 7 40.845 24.874 -50.002 1.00 19.00 H new ATOM 0 HG23 THR A 7 41.555 23.920 -48.955 1.00 19.00 H new ATOM 49 N TRP A 8 39.093 23.105 -51.459 1.00 19.58 N ATOM 50 CA TRP A 8 37.871 23.559 -52.125 1.00 22.39 C ATOM 51 C TRP A 8 37.059 24.548 -51.297 1.00 28.33 C ATOM 52 O TRP A 8 36.944 24.404 -50.082 1.00 36.01 O ATOM 53 CB TRP A 8 36.977 22.356 -52.476 1.00 25.27 C ATOM 54 CG TRP A 8 37.714 21.209 -53.124 1.00 28.71 C ATOM 55 CD1 TRP A 8 38.477 20.265 -52.493 1.00 28.57 C ATOM 56 CD2 TRP A 8 37.807 20.925 -54.526 1.00 25.39 C ATOM 57 NE1 TRP A 8 39.050 19.422 -53.415 1.00 28.39 N ATOM 58 CE2 TRP A 8 38.656 19.803 -54.670 1.00 23.95 C ATOM 59 CE3 TRP A 8 37.263 21.510 -55.675 1.00 27.66 C ATOM 60 CZ2 TRP A 8 38.973 19.258 -55.915 1.00 25.82 C ATOM 61 CZ3 TRP A 8 37.578 20.965 -56.917 1.00 24.97 C ATOM 62 CH2 TRP A 8 38.426 19.851 -57.023 1.00 25.28 C ATOM 0 H TRP A 8 38.976 22.819 -50.656 1.00 19.58 H new ATOM 0 HA TRP A 8 38.161 24.020 -52.927 1.00 22.39 H new ATOM 0 HB2 TRP A 8 36.549 22.036 -51.666 1.00 25.27 H new ATOM 0 HB3 TRP A 8 36.272 22.653 -53.072 1.00 25.27 H new ATOM 0 HD1 TRP A 8 38.592 20.203 -51.572 1.00 28.57 H new ATOM 0 HE1 TRP A 8 39.571 18.763 -53.233 1.00 28.39 H new ATOM 0 HE3 TRP A 8 36.702 22.249 -55.610 1.00 27.66 H new ATOM 0 HZ2 TRP A 8 39.534 18.520 -55.990 1.00 25.82 H new ATOM 0 HZ3 TRP A 8 37.221 21.344 -57.688 1.00 24.97 H new ATOM 0 HH2 TRP A 8 38.621 19.507 -57.865 1.00 25.28 H new ATOM 63 N LYS A 9 36.490 25.543 -51.975 1.00 30.17 N ATOM 64 CA LYS A 9 35.653 26.559 -51.338 1.00 32.58 C ATOM 65 C LYS A 9 34.199 26.310 -51.718 1.00 28.46 C ATOM 66 O LYS A 9 33.906 25.943 -52.854 1.00 28.06 O ATOM 67 CB LYS A 9 36.023 27.969 -51.820 1.00 40.47 C ATOM 68 CG LYS A 9 37.324 28.552 -51.298 1.00 52.85 C ATOM 69 CD LYS A 9 37.391 30.038 -51.647 1.00 62.78 C ATOM 70 CE LYS A 9 38.673 30.705 -51.157 1.00 72.08 C ATOM 71 NZ LYS A 9 39.851 30.410 -52.023 1.00 74.54 N ATOM 0 H LYS A 9 36.579 25.648 -52.824 1.00 30.17 H new ATOM 0 HA LYS A 9 35.788 26.501 -50.379 1.00 32.58 H new ATOM 0 HB2 LYS A 9 36.065 27.956 -52.789 1.00 40.47 H new ATOM 0 HB3 LYS A 9 35.303 28.571 -51.575 1.00 40.47 H new ATOM 0 HG2 LYS A 9 37.381 28.432 -50.337 1.00 52.85 H new ATOM 0 HG3 LYS A 9 38.079 28.084 -51.687 1.00 52.85 H new ATOM 0 HD2 LYS A 9 37.324 30.143 -52.609 1.00 62.78 H new ATOM 0 HD3 LYS A 9 36.627 30.492 -51.258 1.00 62.78 H new ATOM 0 HE2 LYS A 9 38.538 31.665 -51.119 1.00 72.08 H new ATOM 0 HE3 LYS A 9 38.860 30.409 -50.253 1.00 72.08 H new ATOM 0 HZ1 LYS A 9 40.530 30.135 -51.517 1.00 74.54 H new ATOM 0 HZ2 LYS A 9 39.639 29.772 -52.606 1.00 74.54 H new ATOM 0 HZ3 LYS A 9 40.088 31.147 -52.463 1.00 74.54 H new ATOM 72 N LEU A 10 33.290 26.516 -50.770 1.00 29.40 N ATOM 73 CA LEU A 10 31.866 26.349 -51.036 1.00 26.79 C ATOM 74 C LEU A 10 31.452 27.507 -51.944 1.00 35.56 C ATOM 75 O LEU A 10 31.912 28.637 -51.765 1.00 38.53 O ATOM 76 CB LEU A 10 31.073 26.419 -49.732 1.00 25.83 C ATOM 77 CG LEU A 10 29.558 26.286 -49.880 1.00 23.54 C ATOM 78 CD1 LEU A 10 29.194 24.832 -50.107 1.00 22.85 C ATOM 79 CD2 LEU A 10 28.870 26.812 -48.635 1.00 32.69 C ATOM 0 H LEU A 10 33.478 26.753 -49.965 1.00 29.40 H new ATOM 0 HA LEU A 10 31.691 25.489 -51.450 1.00 26.79 H new ATOM 0 HB2 LEU A 10 31.388 25.717 -49.141 1.00 25.83 H new ATOM 0 HB3 LEU A 10 31.268 27.264 -49.298 1.00 25.83 H new ATOM 0 HG LEU A 10 29.262 26.808 -50.643 1.00 23.54 H new ATOM 0 HD11 LEU A 10 28.232 24.750 -50.201 1.00 22.85 H new ATOM 0 HD12 LEU A 10 29.626 24.512 -50.915 1.00 22.85 H new ATOM 0 HD13 LEU A 10 29.491 24.302 -49.351 1.00 22.85 H new ATOM 0 HD21 LEU A 10 27.909 26.725 -48.735 1.00 32.69 H new ATOM 0 HD22 LEU A 10 29.162 26.302 -47.864 1.00 32.69 H new ATOM 0 HD23 LEU A 10 29.098 27.746 -48.509 1.00 32.69 H new ATOM 80 N VAL A 11 30.598 27.231 -52.922 1.00 35.74 N ATOM 81 CA VAL A 11 30.161 28.278 -53.834 1.00 31.83 C ATOM 82 C VAL A 11 28.639 28.366 -53.904 1.00 29.26 C ATOM 83 O VAL A 11 28.086 29.416 -54.230 1.00 45.01 O ATOM 84 CB VAL A 11 30.780 28.087 -55.252 1.00 35.04 C ATOM 85 CG1 VAL A 11 30.138 26.916 -55.975 1.00 32.55 C ATOM 86 CG2 VAL A 11 30.648 29.360 -56.063 1.00 40.98 C ATOM 0 H VAL A 11 30.263 26.453 -53.073 1.00 35.74 H new ATOM 0 HA VAL A 11 30.484 29.122 -53.480 1.00 31.83 H new ATOM 0 HB VAL A 11 31.723 27.888 -55.146 1.00 35.04 H new ATOM 0 HG11 VAL A 11 30.539 26.818 -56.853 1.00 32.55 H new ATOM 0 HG12 VAL A 11 30.278 26.104 -55.464 1.00 32.55 H new ATOM 0 HG13 VAL A 11 29.186 27.077 -56.071 1.00 32.55 H new ATOM 0 HG21 VAL A 11 31.037 29.226 -56.941 1.00 40.98 H new ATOM 0 HG22 VAL A 11 29.710 29.588 -56.157 1.00 40.98 H new ATOM 0 HG23 VAL A 11 31.112 30.082 -55.611 1.00 40.98 H new ATOM 87 N SER A 12 27.962 27.273 -53.578 1.00 22.68 N ATOM 88 CA SER A 12 26.504 27.257 -53.600 1.00 25.22 C ATOM 89 C SER A 12 25.969 26.203 -52.637 1.00 24.33 C ATOM 90 O SER A 12 26.668 25.249 -52.301 1.00 28.48 O ATOM 91 CB SER A 12 25.984 26.988 -55.020 1.00 24.36 C ATOM 92 OG SER A 12 25.779 25.603 -55.261 1.00 31.90 O ATOM 0 H SER A 12 28.326 26.531 -53.341 1.00 22.68 H new ATOM 0 HA SER A 12 26.188 28.129 -53.317 1.00 25.22 H new ATOM 0 HB2 SER A 12 25.150 27.465 -55.153 1.00 24.36 H new ATOM 0 HB3 SER A 12 26.617 27.337 -55.667 1.00 24.36 H new ATOM 0 HG SER A 12 25.494 25.494 -56.044 1.00 31.90 H new ATOM 93 N SER A 13 24.723 26.377 -52.207 1.00 23.71 N ATOM 94 CA SER A 13 24.080 25.447 -51.287 1.00 22.04 C ATOM 95 C SER A 13 22.571 25.483 -51.492 1.00 20.10 C ATOM 96 O SER A 13 21.961 26.550 -51.485 1.00 34.06 O ATOM 97 CB SER A 13 24.430 25.806 -49.839 1.00 26.22 C ATOM 98 OG SER A 13 23.797 24.928 -48.928 1.00 33.62 O ATOM 0 H SER A 13 24.227 27.039 -52.441 1.00 23.71 H new ATOM 0 HA SER A 13 24.402 24.550 -51.467 1.00 22.04 H new ATOM 0 HB2 SER A 13 25.391 25.766 -49.716 1.00 26.22 H new ATOM 0 HB3 SER A 13 24.158 26.719 -49.655 1.00 26.22 H new ATOM 0 HG SER A 13 23.647 25.332 -48.207 1.00 33.62 H new ATOM 99 N GLU A 14 21.973 24.311 -51.676 1.00 21.00 N ATOM 100 CA GLU A 14 20.538 24.210 -51.897 1.00 24.44 C ATOM 101 C GLU A 14 19.934 23.102 -51.052 1.00 25.04 C ATOM 102 O GLU A 14 20.463 21.995 -51.009 1.00 32.80 O ATOM 103 CB GLU A 14 20.258 23.938 -53.377 1.00 30.85 C ATOM 104 CG GLU A 14 20.750 25.033 -54.306 1.00 35.17 C ATOM 105 CD GLU A 14 20.792 24.593 -55.751 1.00 37.51 C ATOM 106 OE1 GLU A 14 21.833 24.047 -56.165 1.00 43.56 O ATOM 107 OE2 GLU A 14 19.794 24.798 -56.470 1.00 35.86 O ATOM 0 H GLU A 14 22.386 23.557 -51.676 1.00 21.00 H new ATOM 0 HA GLU A 14 20.131 25.051 -51.637 1.00 24.44 H new ATOM 0 HB2 GLU A 14 20.677 23.100 -53.628 1.00 30.85 H new ATOM 0 HB3 GLU A 14 19.303 23.825 -53.501 1.00 30.85 H new ATOM 0 HG2 GLU A 14 20.171 25.807 -54.224 1.00 35.17 H new ATOM 0 HG3 GLU A 14 21.637 25.312 -54.030 1.00 35.17 H new ATOM 108 N ASN A 15 18.832 23.418 -50.375 1.00 28.88 N ATOM 109 CA ASN A 15 18.110 22.469 -49.523 1.00 34.05 C ATOM 110 C ASN A 15 18.923 21.892 -48.364 1.00 29.42 C ATOM 111 O ASN A 15 18.609 20.811 -47.864 1.00 33.59 O ATOM 112 CB ASN A 15 17.541 21.319 -50.359 1.00 44.16 C ATOM 113 CG ASN A 15 16.580 21.792 -51.423 1.00 55.35 C ATOM 114 OD1 ASN A 15 15.370 21.838 -51.200 1.00 63.08 O ATOM 115 ND2 ASN A 15 17.111 22.146 -52.592 1.00 59.74 N ATOM 0 H ASN A 15 18.476 24.201 -50.397 1.00 28.88 H new ATOM 0 HA ASN A 15 17.399 22.993 -49.121 1.00 34.05 H new ATOM 0 HB2 ASN A 15 18.271 20.837 -50.779 1.00 44.16 H new ATOM 0 HB3 ASN A 15 17.087 20.693 -49.774 1.00 44.16 H new ATOM 0 HD21 ASN A 15 16.603 22.421 -53.229 1.00 59.74 H new ATOM 0 HD22 ASN A 15 17.962 22.100 -52.709 1.00 59.74 H new ATOM 116 N PHE A 16 19.955 22.607 -47.929 1.00 27.07 N ATOM 117 CA PHE A 16 20.779 22.123 -46.831 1.00 31.02 C ATOM 118 C PHE A 16 19.986 22.093 -45.538 1.00 37.20 C ATOM 119 O PHE A 16 20.035 21.112 -44.799 1.00 43.97 O ATOM 120 CB PHE A 16 22.021 22.992 -46.653 1.00 32.22 C ATOM 121 CG PHE A 16 23.064 22.375 -45.764 1.00 36.88 C ATOM 122 CD1 PHE A 16 23.394 21.026 -45.890 1.00 37.85 C ATOM 123 CD2 PHE A 16 23.724 23.139 -44.804 1.00 38.85 C ATOM 124 CE1 PHE A 16 24.367 20.445 -45.076 1.00 43.22 C ATOM 125 CE2 PHE A 16 24.700 22.570 -43.983 1.00 39.90 C ATOM 126 CZ PHE A 16 25.021 21.219 -44.120 1.00 40.65 C ATOM 0 H PHE A 16 20.192 23.367 -48.253 1.00 27.07 H new ATOM 0 HA PHE A 16 21.060 21.221 -47.050 1.00 31.02 H new ATOM 0 HB2 PHE A 16 22.411 23.167 -47.523 1.00 32.22 H new ATOM 0 HB3 PHE A 16 21.757 23.849 -46.283 1.00 32.22 H new ATOM 0 HD1 PHE A 16 22.959 20.506 -46.526 1.00 37.85 H new ATOM 0 HD2 PHE A 16 23.512 24.039 -44.709 1.00 38.85 H new ATOM 0 HE1 PHE A 16 24.578 19.544 -45.171 1.00 43.22 H new ATOM 0 HE2 PHE A 16 25.135 23.090 -43.347 1.00 39.90 H new ATOM 0 HZ PHE A 16 25.670 20.836 -43.575 1.00 40.65 H new ATOM 127 N ASP A 17 19.241 23.164 -45.282 1.00 43.38 N ATOM 128 CA ASP A 17 18.428 23.272 -44.074 1.00 46.11 C ATOM 129 C ASP A 17 17.428 22.113 -43.965 1.00 45.52 C ATOM 130 O ASP A 17 17.240 21.545 -42.889 1.00 37.06 O ATOM 131 CB ASP A 17 17.699 24.618 -44.060 1.00 48.43 C ATOM 132 CG ASP A 17 17.045 24.915 -42.728 1.00 46.44 C ATOM 133 OD1 ASP A 17 17.746 25.418 -41.821 1.00 43.32 O ATOM 134 OD2 ASP A 17 15.831 24.649 -42.594 1.00 45.79 O ATOM 0 H ASP A 17 19.192 23.847 -45.802 1.00 43.38 H new ATOM 0 HA ASP A 17 19.016 23.220 -43.304 1.00 46.11 H new ATOM 0 HB2 ASP A 17 18.329 25.325 -44.271 1.00 48.43 H new ATOM 0 HB3 ASP A 17 17.023 24.623 -44.756 1.00 48.43 H new ATOM 135 N ASP A 18 16.799 21.762 -45.085 1.00 50.18 N ATOM 136 CA ASP A 18 15.835 20.663 -45.116 1.00 50.92 C ATOM 137 C ASP A 18 16.529 19.362 -44.755 1.00 47.32 C ATOM 138 O ASP A 18 15.978 18.535 -44.027 1.00 49.82 O ATOM 139 CB ASP A 18 15.219 20.526 -46.509 1.00 57.66 C ATOM 140 CG ASP A 18 14.336 21.692 -46.868 1.00 65.22 C ATOM 141 OD1 ASP A 18 13.128 21.632 -46.553 1.00 67.90 O ATOM 142 OD2 ASP A 18 14.853 22.667 -47.457 1.00 66.75 O ATOM 0 H ASP A 18 16.918 22.151 -45.843 1.00 50.18 H new ATOM 0 HA ASP A 18 15.133 20.855 -44.475 1.00 50.92 H new ATOM 0 HB2 ASP A 18 15.928 20.447 -47.166 1.00 57.66 H new ATOM 0 HB3 ASP A 18 14.701 19.707 -46.551 1.00 57.66 H new ATOM 143 N TYR A 19 17.736 19.188 -45.288 1.00 40.82 N ATOM 144 CA TYR A 19 18.538 17.997 -45.039 1.00 35.56 C ATOM 145 C TYR A 19 18.898 17.880 -43.556 1.00 31.25 C ATOM 146 O TYR A 19 18.671 16.834 -42.946 1.00 25.15 O ATOM 147 CB TYR A 19 19.799 18.018 -45.912 1.00 25.42 C ATOM 148 CG TYR A 19 20.772 16.912 -45.592 1.00 18.71 C ATOM 149 CD1 TYR A 19 20.515 15.593 -45.969 1.00 17.08 C ATOM 150 CD2 TYR A 19 21.937 17.180 -44.879 1.00 13.91 C ATOM 151 CE1 TYR A 19 21.404 14.567 -45.636 1.00 24.58 C ATOM 152 CE2 TYR A 19 22.821 16.175 -44.540 1.00 19.40 C ATOM 153 CZ TYR A 19 22.557 14.872 -44.920 1.00 25.10 C ATOM 154 OH TYR A 19 23.462 13.890 -44.590 1.00 27.03 O ATOM 0 H TYR A 19 18.113 19.761 -45.806 1.00 40.82 H new ATOM 0 HA TYR A 19 18.013 17.216 -45.276 1.00 35.56 H new ATOM 0 HB2 TYR A 19 19.539 17.951 -46.844 1.00 25.42 H new ATOM 0 HB3 TYR A 19 20.245 18.873 -45.803 1.00 25.42 H new ATOM 0 HD1 TYR A 19 19.743 15.394 -46.448 1.00 17.08 H new ATOM 0 HD2 TYR A 19 22.124 18.055 -44.625 1.00 13.91 H new ATOM 0 HE1 TYR A 19 21.227 13.690 -45.890 1.00 24.58 H new ATOM 0 HE2 TYR A 19 23.591 16.374 -44.058 1.00 19.40 H new ATOM 0 HH TYR A 19 23.129 13.136 -44.752 1.00 27.03 H new ATOM 155 N MET A 20 19.442 18.956 -42.986 1.00 30.24 N ATOM 156 CA MET A 20 19.811 18.987 -41.569 1.00 34.46 C ATOM 157 C MET A 20 18.603 18.704 -40.677 1.00 36.51 C ATOM 158 O MET A 20 18.709 17.984 -39.685 1.00 45.26 O ATOM 159 CB MET A 20 20.398 20.343 -41.193 1.00 29.63 C ATOM 160 CG MET A 20 21.795 20.587 -41.697 1.00 38.55 C ATOM 161 SD MET A 20 22.442 22.118 -41.013 1.00 55.09 S ATOM 162 CE MET A 20 21.577 23.352 -42.040 1.00 49.24 C ATOM 0 H MET A 20 19.607 19.687 -43.408 1.00 30.24 H new ATOM 0 HA MET A 20 20.477 18.295 -41.430 1.00 34.46 H new ATOM 0 HB2 MET A 20 19.817 21.040 -41.537 1.00 29.63 H new ATOM 0 HB3 MET A 20 20.397 20.425 -40.226 1.00 29.63 H new ATOM 0 HG2 MET A 20 22.370 19.846 -41.449 1.00 38.55 H new ATOM 0 HG3 MET A 20 21.793 20.633 -42.666 1.00 38.55 H new ATOM 0 HE1 MET A 20 22.094 24.172 -42.065 1.00 49.24 H new ATOM 0 HE2 MET A 20 21.473 23.008 -42.941 1.00 49.24 H new ATOM 0 HE3 MET A 20 20.703 23.533 -41.661 1.00 49.24 H new ATOM 163 N LYS A 21 17.463 19.297 -41.025 1.00 36.91 N ATOM 164 CA LYS A 21 16.226 19.100 -40.280 1.00 37.29 C ATOM 165 C LYS A 21 15.901 17.606 -40.240 1.00 38.85 C ATOM 166 O LYS A 21 15.516 17.072 -39.199 1.00 44.31 O ATOM 167 CB LYS A 21 15.076 19.852 -40.955 1.00 35.84 C ATOM 168 CG LYS A 21 13.725 19.599 -40.314 1.00 49.61 C ATOM 169 CD LYS A 21 12.583 19.803 -41.291 1.00 59.49 C ATOM 170 CE LYS A 21 11.278 19.293 -40.697 1.00 63.90 C ATOM 171 NZ LYS A 21 10.143 19.390 -41.654 1.00 68.39 N ATOM 0 H LYS A 21 17.387 19.825 -41.700 1.00 36.91 H new ATOM 0 HA LYS A 21 16.338 19.441 -39.379 1.00 37.29 H new ATOM 0 HB2 LYS A 21 15.264 20.803 -40.931 1.00 35.84 H new ATOM 0 HB3 LYS A 21 15.035 19.594 -41.889 1.00 35.84 H new ATOM 0 HG2 LYS A 21 13.696 18.693 -39.970 1.00 49.61 H new ATOM 0 HG3 LYS A 21 13.611 20.194 -39.556 1.00 49.61 H new ATOM 0 HD2 LYS A 21 12.500 20.745 -41.508 1.00 59.49 H new ATOM 0 HD3 LYS A 21 12.772 19.336 -42.120 1.00 59.49 H new ATOM 0 HE2 LYS A 21 11.389 18.369 -40.424 1.00 63.90 H new ATOM 0 HE3 LYS A 21 11.069 19.802 -39.898 1.00 63.90 H new ATOM 0 HZ1 LYS A 21 9.402 19.083 -41.268 1.00 68.39 H new ATOM 0 HZ2 LYS A 21 10.024 20.240 -41.889 1.00 68.39 H new ATOM 0 HZ3 LYS A 21 10.323 18.905 -42.378 1.00 68.39 H new ATOM 172 N GLU A 22 16.086 16.938 -41.377 1.00 37.98 N ATOM 173 CA GLU A 22 15.814 15.510 -41.497 1.00 35.58 C ATOM 174 C GLU A 22 16.720 14.638 -40.641 1.00 33.91 C ATOM 175 O GLU A 22 16.254 13.678 -40.026 1.00 36.11 O ATOM 176 CB GLU A 22 15.897 15.068 -42.958 1.00 41.86 C ATOM 177 CG GLU A 22 14.721 15.506 -43.812 1.00 43.88 C ATOM 178 CD GLU A 22 13.403 14.918 -43.342 1.00 49.36 C ATOM 179 OE1 GLU A 22 13.350 13.698 -43.067 1.00 47.33 O ATOM 180 OE2 GLU A 22 12.416 15.679 -43.252 1.00 52.53 O ATOM 0 H GLU A 22 16.373 17.302 -42.101 1.00 37.98 H new ATOM 0 HA GLU A 22 14.912 15.384 -41.162 1.00 35.58 H new ATOM 0 HB2 GLU A 22 16.713 15.420 -43.346 1.00 41.86 H new ATOM 0 HB3 GLU A 22 15.963 14.101 -42.989 1.00 41.86 H new ATOM 0 HG2 GLU A 22 14.661 16.474 -43.801 1.00 43.88 H new ATOM 0 HG3 GLU A 22 14.879 15.242 -44.732 1.00 43.88 H new ATOM 181 N VAL A 23 18.012 14.955 -40.605 1.00 37.47 N ATOM 182 CA VAL A 23 18.943 14.167 -39.800 1.00 39.03 C ATOM 183 C VAL A 23 18.673 14.418 -38.315 1.00 36.29 C ATOM 184 O VAL A 23 19.174 13.699 -37.451 1.00 44.97 O ATOM 185 CB VAL A 23 20.438 14.450 -40.155 1.00 35.45 C ATOM 186 CG1 VAL A 23 20.645 14.425 -41.662 1.00 27.94 C ATOM 187 CG2 VAL A 23 20.897 15.761 -39.579 1.00 41.44 C ATOM 0 H VAL A 23 18.366 15.612 -41.032 1.00 37.47 H new ATOM 0 HA VAL A 23 18.791 13.231 -40.004 1.00 39.03 H new ATOM 0 HB VAL A 23 20.976 13.747 -39.758 1.00 35.45 H new ATOM 0 HG11 VAL A 23 21.577 14.602 -41.864 1.00 27.94 H new ATOM 0 HG12 VAL A 23 20.400 13.553 -42.008 1.00 27.94 H new ATOM 0 HG13 VAL A 23 20.090 15.104 -42.076 1.00 27.94 H new ATOM 0 HG21 VAL A 23 21.826 15.911 -39.814 1.00 41.44 H new ATOM 0 HG22 VAL A 23 20.353 16.480 -39.937 1.00 41.44 H new ATOM 0 HG23 VAL A 23 20.808 15.739 -38.613 1.00 41.44 H new ATOM 188 N GLY A 24 17.857 15.434 -38.039 1.00 35.58 N ATOM 189 CA GLY A 24 17.495 15.765 -36.675 1.00 33.71 C ATOM 190 C GLY A 24 18.323 16.847 -36.015 1.00 39.30 C ATOM 191 O GLY A 24 18.496 16.828 -34.795 1.00 41.85 O ATOM 0 H GLY A 24 17.504 15.943 -38.635 1.00 35.58 H new ATOM 0 HA2 GLY A 24 16.565 16.041 -36.663 1.00 33.71 H new ATOM 0 HA3 GLY A 24 17.559 14.960 -36.137 1.00 33.71 H new ATOM 192 N VAL A 25 18.827 17.792 -36.805 1.00 37.12 N ATOM 193 CA VAL A 25 19.634 18.882 -36.260 1.00 31.38 C ATOM 194 C VAL A 25 18.767 19.978 -35.636 1.00 41.31 C ATOM 195 O VAL A 25 17.773 20.422 -36.229 1.00 39.94 O ATOM 196 CB VAL A 25 20.572 19.494 -37.326 1.00 25.47 C ATOM 197 CG1 VAL A 25 21.330 20.688 -36.752 1.00 24.43 C ATOM 198 CG2 VAL A 25 21.560 18.457 -37.794 1.00 24.26 C ATOM 0 H VAL A 25 18.714 17.821 -37.657 1.00 37.12 H new ATOM 0 HA VAL A 25 20.181 18.491 -35.561 1.00 31.38 H new ATOM 0 HB VAL A 25 20.031 19.793 -38.074 1.00 25.47 H new ATOM 0 HG11 VAL A 25 21.913 21.059 -37.433 1.00 24.43 H new ATOM 0 HG12 VAL A 25 20.698 21.365 -36.464 1.00 24.43 H new ATOM 0 HG13 VAL A 25 21.862 20.400 -35.994 1.00 24.43 H new ATOM 0 HG21 VAL A 25 22.146 18.846 -38.462 1.00 24.26 H new ATOM 0 HG22 VAL A 25 22.089 18.150 -37.041 1.00 24.26 H new ATOM 0 HG23 VAL A 25 21.083 17.706 -38.181 1.00 24.26 H new ATOM 199 N GLY A 26 19.165 20.399 -34.437 1.00 38.39 N ATOM 200 CA GLY A 26 18.449 21.426 -33.707 1.00 30.01 C ATOM 201 C GLY A 26 18.371 22.753 -34.427 1.00 31.29 C ATOM 202 O GLY A 26 19.319 23.171 -35.086 1.00 35.14 O ATOM 0 H GLY A 26 19.858 20.094 -34.029 1.00 38.39 H new ATOM 0 HA2 GLY A 26 17.549 21.113 -33.527 1.00 30.01 H new ATOM 0 HA3 GLY A 26 18.880 21.559 -32.848 1.00 30.01 H new ATOM 203 N PHE A 27 17.225 23.409 -34.276 1.00 34.06 N ATOM 204 CA PHE A 27 16.926 24.706 -34.878 1.00 27.61 C ATOM 205 C PHE A 27 18.081 25.711 -34.830 1.00 22.87 C ATOM 206 O PHE A 27 18.494 26.221 -35.862 1.00 25.92 O ATOM 207 CB PHE A 27 15.688 25.294 -34.188 1.00 26.88 C ATOM 208 CG PHE A 27 15.210 26.598 -34.773 1.00 35.31 C ATOM 209 CD1 PHE A 27 15.847 27.800 -34.457 1.00 37.64 C ATOM 210 CD2 PHE A 27 14.100 26.630 -35.613 1.00 30.30 C ATOM 211 CE1 PHE A 27 15.387 29.015 -34.969 1.00 34.94 C ATOM 212 CE2 PHE A 27 13.631 27.839 -36.130 1.00 27.44 C ATOM 213 CZ PHE A 27 14.275 29.034 -35.807 1.00 28.66 C ATOM 0 H PHE A 27 16.576 23.101 -33.803 1.00 34.06 H new ATOM 0 HA PHE A 27 16.766 24.546 -35.821 1.00 27.61 H new ATOM 0 HB2 PHE A 27 14.967 24.647 -34.236 1.00 26.88 H new ATOM 0 HB3 PHE A 27 15.888 25.428 -33.248 1.00 26.88 H new ATOM 0 HD1 PHE A 27 16.589 27.791 -33.897 1.00 37.64 H new ATOM 0 HD2 PHE A 27 13.666 25.837 -35.832 1.00 30.30 H new ATOM 0 HE1 PHE A 27 15.821 29.808 -34.751 1.00 34.94 H new ATOM 0 HE2 PHE A 27 12.889 27.848 -36.690 1.00 27.44 H new ATOM 0 HZ PHE A 27 13.963 29.840 -36.150 1.00 28.66 H new ATOM 214 N ALA A 28 18.594 25.988 -33.634 1.00 28.33 N ATOM 215 CA ALA A 28 19.683 26.951 -33.446 1.00 22.78 C ATOM 216 C ALA A 28 20.952 26.630 -34.221 1.00 27.61 C ATOM 217 O ALA A 28 21.431 27.455 -34.992 1.00 37.08 O ATOM 218 CB ALA A 28 20.006 27.094 -31.976 1.00 18.70 C ATOM 0 H ALA A 28 18.321 25.623 -32.905 1.00 28.33 H new ATOM 0 HA ALA A 28 19.353 27.788 -33.808 1.00 22.78 H new ATOM 0 HB1 ALA A 28 20.727 27.733 -31.864 1.00 18.70 H new ATOM 0 HB2 ALA A 28 19.220 27.407 -31.501 1.00 18.70 H new ATOM 0 HB3 ALA A 28 20.278 26.234 -31.619 1.00 18.70 H new ATOM 219 N THR A 29 21.504 25.441 -34.001 1.00 30.77 N ATOM 220 CA THR A 29 22.730 25.028 -34.680 1.00 38.50 C ATOM 221 C THR A 29 22.519 24.911 -36.184 1.00 34.81 C ATOM 222 O THR A 29 23.442 25.145 -36.965 1.00 33.74 O ATOM 223 CB THR A 29 23.258 23.681 -34.142 1.00 44.33 C ATOM 224 OG1 THR A 29 22.280 22.659 -34.359 1.00 52.51 O ATOM 225 CG2 THR A 29 23.555 23.781 -32.653 1.00 48.52 C ATOM 0 H THR A 29 21.183 24.855 -33.459 1.00 30.77 H new ATOM 0 HA THR A 29 23.388 25.718 -34.500 1.00 38.50 H new ATOM 0 HB THR A 29 24.076 23.460 -34.614 1.00 44.33 H new ATOM 0 HG1 THR A 29 21.538 23.013 -34.530 1.00 52.51 H new ATOM 0 HG21 THR A 29 23.885 22.928 -32.331 1.00 48.52 H new ATOM 0 HG22 THR A 29 24.226 24.465 -32.502 1.00 48.52 H new ATOM 0 HG23 THR A 29 22.743 24.014 -32.176 1.00 48.52 H new ATOM 226 N ARG A 30 21.293 24.576 -36.579 1.00 34.06 N ATOM 227 CA ARG A 30 20.930 24.427 -37.986 1.00 32.86 C ATOM 228 C ARG A 30 21.150 25.744 -38.732 1.00 33.04 C ATOM 229 O ARG A 30 21.556 25.753 -39.892 1.00 40.57 O ATOM 230 CB ARG A 30 19.464 24.011 -38.102 1.00 27.64 C ATOM 231 CG ARG A 30 19.171 23.140 -39.289 1.00 27.37 C ATOM 232 CD ARG A 30 17.688 23.056 -39.561 1.00 35.24 C ATOM 233 NE ARG A 30 16.936 22.490 -38.449 1.00 42.22 N ATOM 234 CZ ARG A 30 15.774 22.971 -38.022 1.00 41.58 C ATOM 235 NH1 ARG A 30 15.237 24.031 -38.614 1.00 41.36 N ATOM 236 NH2 ARG A 30 15.143 22.387 -37.012 1.00 40.71 N ATOM 0 H ARG A 30 20.644 24.428 -36.034 1.00 34.06 H new ATOM 0 HA ARG A 30 21.492 23.742 -38.382 1.00 32.86 H new ATOM 0 HB2 ARG A 30 19.206 23.540 -37.294 1.00 27.64 H new ATOM 0 HB3 ARG A 30 18.914 24.808 -38.153 1.00 27.64 H new ATOM 0 HG2 ARG A 30 19.625 23.492 -40.070 1.00 27.37 H new ATOM 0 HG3 ARG A 30 19.524 22.250 -39.134 1.00 27.37 H new ATOM 0 HD2 ARG A 30 17.349 23.944 -39.755 1.00 35.24 H new ATOM 0 HD3 ARG A 30 17.540 22.516 -40.353 1.00 35.24 H new ATOM 0 HE ARG A 30 17.264 21.805 -38.046 1.00 42.22 H new ATOM 0 HH11 ARG A 30 15.642 24.406 -39.274 1.00 41.36 H new ATOM 0 HH12 ARG A 30 14.485 24.343 -38.338 1.00 41.36 H new ATOM 0 HH21 ARG A 30 15.486 21.696 -36.633 1.00 40.71 H new ATOM 0 HH22 ARG A 30 14.391 22.700 -36.737 1.00 40.71 H new ATOM 237 N LYS A 31 20.890 26.853 -38.045 1.00 32.11 N ATOM 238 CA LYS A 31 21.059 28.180 -38.620 1.00 38.47 C ATOM 239 C LYS A 31 22.536 28.556 -38.673 1.00 42.25 C ATOM 240 O LYS A 31 22.991 29.162 -39.641 1.00 50.94 O ATOM 241 CB LYS A 31 20.294 29.222 -37.798 1.00 43.18 C ATOM 242 CG LYS A 31 18.855 28.844 -37.480 1.00 51.85 C ATOM 243 CD LYS A 31 18.080 28.442 -38.728 1.00 56.04 C ATOM 244 CE LYS A 31 16.711 27.886 -38.367 1.00 56.13 C ATOM 245 NZ LYS A 31 15.978 27.361 -39.550 1.00 60.11 N ATOM 0 H LYS A 31 20.610 26.855 -37.232 1.00 32.11 H new ATOM 0 HA LYS A 31 20.704 28.165 -39.522 1.00 38.47 H new ATOM 0 HB2 LYS A 31 20.768 29.372 -36.965 1.00 43.18 H new ATOM 0 HB3 LYS A 31 20.296 30.063 -38.281 1.00 43.18 H new ATOM 0 HG2 LYS A 31 18.847 28.110 -36.845 1.00 51.85 H new ATOM 0 HG3 LYS A 31 18.412 29.594 -37.053 1.00 51.85 H new ATOM 0 HD2 LYS A 31 17.977 29.211 -39.310 1.00 56.04 H new ATOM 0 HD3 LYS A 31 18.582 27.777 -39.224 1.00 56.04 H new ATOM 0 HE2 LYS A 31 16.816 27.176 -37.714 1.00 56.13 H new ATOM 0 HE3 LYS A 31 16.183 28.583 -37.946 1.00 56.13 H new ATOM 0 HZ1 LYS A 31 15.186 27.047 -39.293 1.00 60.11 H new ATOM 0 HZ2 LYS A 31 15.860 28.016 -40.141 1.00 60.11 H new ATOM 0 HZ3 LYS A 31 16.449 26.705 -39.925 1.00 60.11 H new ATOM 246 N VAL A 32 23.272 28.208 -37.620 1.00 41.25 N ATOM 247 CA VAL A 32 24.701 28.500 -37.539 1.00 43.22 C ATOM 248 C VAL A 32 25.456 27.679 -38.585 1.00 43.79 C ATOM 249 O VAL A 32 26.463 28.130 -39.140 1.00 45.12 O ATOM 250 CB VAL A 32 25.263 28.181 -36.129 1.00 45.14 C ATOM 251 CG1 VAL A 32 26.714 28.623 -36.026 1.00 40.17 C ATOM 252 CG2 VAL A 32 24.424 28.860 -35.055 1.00 46.11 C ATOM 0 H VAL A 32 22.957 27.797 -36.933 1.00 41.25 H new ATOM 0 HA VAL A 32 24.824 29.447 -37.709 1.00 43.22 H new ATOM 0 HB VAL A 32 25.221 27.222 -35.991 1.00 45.14 H new ATOM 0 HG11 VAL A 32 27.053 28.418 -35.141 1.00 40.17 H new ATOM 0 HG12 VAL A 32 27.243 28.155 -36.691 1.00 40.17 H new ATOM 0 HG13 VAL A 32 26.773 29.579 -36.181 1.00 40.17 H new ATOM 0 HG21 VAL A 32 24.787 28.651 -34.180 1.00 46.11 H new ATOM 0 HG22 VAL A 32 24.440 29.820 -35.191 1.00 46.11 H new ATOM 0 HG23 VAL A 32 23.509 28.541 -35.109 1.00 46.11 H new ATOM 253 N ALA A 33 24.957 26.473 -38.847 1.00 39.03 N ATOM 254 CA ALA A 33 25.558 25.582 -39.830 1.00 37.21 C ATOM 255 C ALA A 33 25.304 26.123 -41.235 1.00 38.96 C ATOM 256 O ALA A 33 26.204 26.140 -42.072 1.00 44.59 O ATOM 257 CB ALA A 33 24.978 24.181 -39.691 1.00 27.69 C ATOM 0 H ALA A 33 24.261 26.150 -38.459 1.00 39.03 H new ATOM 0 HA ALA A 33 26.515 25.536 -39.677 1.00 37.21 H new ATOM 0 HB1 ALA A 33 25.384 23.596 -40.349 1.00 27.69 H new ATOM 0 HB2 ALA A 33 25.161 23.842 -38.801 1.00 27.69 H new ATOM 0 HB3 ALA A 33 24.019 24.212 -39.834 1.00 27.69 H new ATOM 258 N GLY A 34 24.084 26.604 -41.463 1.00 38.65 N ATOM 259 CA GLY A 34 23.712 27.144 -42.759 1.00 42.68 C ATOM 260 C GLY A 34 24.441 28.412 -43.165 1.00 42.25 C ATOM 261 O GLY A 34 24.601 28.682 -44.355 1.00 46.80 O ATOM 0 H GLY A 34 23.457 26.625 -40.875 1.00 38.65 H new ATOM 0 HA2 GLY A 34 23.872 26.466 -43.434 1.00 42.68 H new ATOM 0 HA3 GLY A 34 22.759 27.323 -42.757 1.00 42.68 H new ATOM 262 N MET A 35 24.878 29.194 -42.182 1.00 43.93 N ATOM 263 CA MET A 35 25.590 30.443 -42.440 1.00 46.58 C ATOM 264 C MET A 35 27.074 30.217 -42.683 1.00 51.25 C ATOM 265 O MET A 35 27.811 31.158 -42.991 1.00 60.61 O ATOM 266 CB MET A 35 25.422 31.402 -41.263 1.00 52.13 C ATOM 267 CG MET A 35 24.043 32.023 -41.138 1.00 54.05 C ATOM 268 SD MET A 35 23.885 32.933 -39.591 1.00 57.70 S ATOM 269 CE MET A 35 25.406 33.925 -39.614 1.00 52.69 C ATOM 0 H MET A 35 24.770 29.016 -41.348 1.00 43.93 H new ATOM 0 HA MET A 35 25.204 30.826 -43.243 1.00 46.58 H new ATOM 0 HB2 MET A 35 25.623 30.925 -40.443 1.00 52.13 H new ATOM 0 HB3 MET A 35 26.077 32.113 -41.346 1.00 52.13 H new ATOM 0 HG2 MET A 35 23.884 32.620 -41.886 1.00 54.05 H new ATOM 0 HG3 MET A 35 23.367 31.329 -41.180 1.00 54.05 H new ATOM 0 HE1 MET A 35 25.314 34.672 -39.002 1.00 52.69 H new ATOM 0 HE2 MET A 35 26.156 33.374 -39.341 1.00 52.69 H new ATOM 0 HE3 MET A 35 25.561 34.259 -40.511 1.00 52.69 H new ATOM 270 N ALA A 36 27.508 28.971 -42.538 1.00 50.08 N ATOM 271 CA ALA A 36 28.909 28.623 -42.728 1.00 45.12 C ATOM 272 C ALA A 36 29.272 28.290 -44.176 1.00 47.14 C ATOM 273 O ALA A 36 28.490 27.670 -44.907 1.00 44.06 O ATOM 274 CB ALA A 36 29.277 27.475 -41.819 1.00 38.15 C ATOM 0 H ALA A 36 27.002 28.308 -42.328 1.00 50.08 H new ATOM 0 HA ALA A 36 29.423 29.413 -42.499 1.00 45.12 H new ATOM 0 HB1 ALA A 36 30.211 27.246 -41.948 1.00 38.15 H new ATOM 0 HB2 ALA A 36 29.133 27.734 -40.895 1.00 38.15 H new ATOM 0 HB3 ALA A 36 28.724 26.706 -42.028 1.00 38.15 H new ATOM 275 N LYS A 37 30.467 28.732 -44.571 1.00 46.46 N ATOM 276 CA LYS A 37 31.025 28.509 -45.906 1.00 43.61 C ATOM 277 C LYS A 37 32.353 27.790 -45.645 1.00 40.96 C ATOM 278 O LYS A 37 33.421 28.412 -45.625 1.00 40.41 O ATOM 279 CB LYS A 37 31.278 29.851 -46.607 1.00 46.02 C ATOM 280 CG LYS A 37 30.082 30.800 -46.592 1.00 52.75 C ATOM 281 CD LYS A 37 29.341 30.825 -47.917 1.00 57.07 C ATOM 282 CE LYS A 37 30.148 31.564 -48.975 1.00 65.26 C ATOM 283 NZ LYS A 37 29.408 31.689 -50.263 1.00 68.94 N ATOM 0 H LYS A 37 30.989 29.182 -44.056 1.00 46.46 H new ATOM 0 HA LYS A 37 30.430 27.999 -46.478 1.00 43.61 H new ATOM 0 HB2 LYS A 37 32.031 30.290 -46.182 1.00 46.02 H new ATOM 0 HB3 LYS A 37 31.532 29.681 -47.528 1.00 46.02 H new ATOM 0 HG2 LYS A 37 29.470 30.533 -45.888 1.00 52.75 H new ATOM 0 HG3 LYS A 37 30.387 31.696 -46.379 1.00 52.75 H new ATOM 0 HD2 LYS A 37 29.167 29.917 -48.212 1.00 57.07 H new ATOM 0 HD3 LYS A 37 28.479 31.256 -47.802 1.00 57.07 H new ATOM 0 HE2 LYS A 37 30.375 32.448 -48.647 1.00 65.26 H new ATOM 0 HE3 LYS A 37 30.983 31.095 -49.128 1.00 65.26 H new ATOM 0 HZ1 LYS A 37 29.911 32.125 -50.854 1.00 68.94 H new ATOM 0 HZ2 LYS A 37 29.219 30.878 -50.577 1.00 68.94 H new ATOM 0 HZ3 LYS A 37 28.652 32.139 -50.129 1.00 68.94 H new ATOM 284 N PRO A 38 32.299 26.464 -45.435 1.00 36.63 N ATOM 285 CA PRO A 38 33.460 25.616 -45.159 1.00 34.34 C ATOM 286 C PRO A 38 34.469 25.467 -46.286 1.00 32.64 C ATOM 287 O PRO A 38 34.185 25.758 -47.448 1.00 35.02 O ATOM 288 CB PRO A 38 32.819 24.276 -44.828 1.00 25.43 C ATOM 289 CG PRO A 38 31.681 24.263 -45.762 1.00 29.56 C ATOM 290 CD PRO A 38 31.089 25.631 -45.565 1.00 32.12 C ATOM 0 HA PRO A 38 34.002 26.009 -44.457 1.00 34.34 H new ATOM 0 HB2 PRO A 38 33.425 23.533 -44.979 1.00 25.43 H new ATOM 0 HB3 PRO A 38 32.533 24.226 -43.902 1.00 25.43 H new ATOM 0 HG2 PRO A 38 31.966 24.121 -46.678 1.00 29.56 H new ATOM 0 HG3 PRO A 38 31.047 23.560 -45.550 1.00 29.56 H new ATOM 0 HD2 PRO A 38 30.539 25.902 -46.317 1.00 32.12 H new ATOM 0 HD3 PRO A 38 30.529 25.675 -44.774 1.00 32.12 H new ATOM 291 N ASN A 39 35.657 25.015 -45.911 1.00 36.20 N ATOM 292 CA ASN A 39 36.738 24.783 -46.850 1.00 40.87 C ATOM 293 C ASN A 39 37.176 23.330 -46.735 1.00 42.68 C ATOM 294 O ASN A 39 38.018 22.977 -45.907 1.00 50.70 O ATOM 295 CB ASN A 39 37.912 25.730 -46.583 1.00 45.71 C ATOM 296 CG ASN A 39 37.721 27.092 -47.229 1.00 55.24 C ATOM 297 OD1 ASN A 39 36.599 27.589 -47.350 1.00 62.22 O ATOM 298 ND2 ASN A 39 38.823 27.698 -47.665 1.00 60.20 N ATOM 0 H ASN A 39 35.859 24.833 -45.095 1.00 36.20 H new ATOM 0 HA ASN A 39 36.427 24.960 -47.752 1.00 40.87 H new ATOM 0 HB2 ASN A 39 38.022 25.842 -45.626 1.00 45.71 H new ATOM 0 HB3 ASN A 39 38.729 25.329 -46.917 1.00 45.71 H new ATOM 0 HD21 ASN A 39 38.768 28.466 -48.048 1.00 60.20 H new ATOM 0 HD22 ASN A 39 39.590 27.322 -47.564 1.00 60.20 H new ATOM 299 N MET A 40 36.544 22.489 -47.544 1.00 31.64 N ATOM 300 CA MET A 40 36.836 21.068 -47.576 1.00 25.37 C ATOM 301 C MET A 40 38.210 20.843 -48.197 1.00 26.15 C ATOM 302 O MET A 40 38.460 21.253 -49.327 1.00 32.47 O ATOM 303 CB MET A 40 35.770 20.354 -48.400 1.00 11.32 C ATOM 304 CG MET A 40 35.833 18.866 -48.315 1.00 12.59 C ATOM 305 SD MET A 40 34.614 18.176 -49.385 1.00 28.91 S ATOM 306 CE MET A 40 33.095 18.316 -48.375 1.00 23.12 C ATOM 0 H MET A 40 35.929 22.732 -48.094 1.00 31.64 H new ATOM 0 HA MET A 40 36.835 20.713 -46.673 1.00 25.37 H new ATOM 0 HB2 MET A 40 34.894 20.649 -48.104 1.00 11.32 H new ATOM 0 HB3 MET A 40 35.860 20.620 -49.329 1.00 11.32 H new ATOM 0 HG2 MET A 40 36.716 18.553 -48.568 1.00 12.59 H new ATOM 0 HG3 MET A 40 35.680 18.576 -47.402 1.00 12.59 H new ATOM 0 HE1 MET A 40 32.338 18.504 -48.952 1.00 23.12 H new ATOM 0 HE2 MET A 40 32.942 17.482 -47.903 1.00 23.12 H new ATOM 0 HE3 MET A 40 33.198 19.036 -47.733 1.00 23.12 H new ATOM 307 N ILE A 41 39.098 20.201 -47.445 1.00 28.19 N ATOM 308 CA ILE A 41 40.456 19.921 -47.904 1.00 23.80 C ATOM 309 C ILE A 41 40.677 18.413 -47.954 1.00 22.86 C ATOM 310 O ILE A 41 40.863 17.770 -46.923 1.00 22.41 O ATOM 311 CB ILE A 41 41.506 20.533 -46.954 1.00 24.14 C ATOM 312 CG1 ILE A 41 41.173 22.002 -46.675 1.00 26.76 C ATOM 313 CG2 ILE A 41 42.905 20.386 -47.554 1.00 17.72 C ATOM 314 CD1 ILE A 41 42.028 22.640 -45.586 1.00 28.36 C ATOM 0 H ILE A 41 38.930 19.914 -46.652 1.00 28.19 H new ATOM 0 HA ILE A 41 40.558 20.314 -48.785 1.00 23.80 H new ATOM 0 HB ILE A 41 41.489 20.056 -46.109 1.00 24.14 H new ATOM 0 HG12 ILE A 41 41.280 22.509 -47.495 1.00 26.76 H new ATOM 0 HG13 ILE A 41 40.239 22.069 -46.420 1.00 26.76 H new ATOM 0 HG21 ILE A 41 43.558 20.773 -46.951 1.00 17.72 H new ATOM 0 HG22 ILE A 41 43.104 19.446 -47.685 1.00 17.72 H new ATOM 0 HG23 ILE A 41 42.941 20.846 -48.407 1.00 17.72 H new ATOM 0 HD11 ILE A 41 41.762 23.565 -45.465 1.00 28.36 H new ATOM 0 HD12 ILE A 41 41.905 22.157 -44.754 1.00 28.36 H new ATOM 0 HD13 ILE A 41 42.962 22.604 -45.845 1.00 28.36 H new ATOM 315 N ILE A 42 40.640 17.851 -49.156 1.00 24.51 N ATOM 316 CA ILE A 42 40.835 16.418 -49.332 1.00 16.04 C ATOM 317 C ILE A 42 42.300 16.132 -49.615 1.00 18.14 C ATOM 318 O ILE A 42 42.960 16.865 -50.348 1.00 14.53 O ATOM 319 CB ILE A 42 39.925 15.867 -50.445 1.00 16.09 C ATOM 320 CG1 ILE A 42 38.460 16.136 -50.083 1.00 13.39 C ATOM 321 CG2 ILE A 42 40.168 14.382 -50.642 1.00 10.45 C ATOM 322 CD1 ILE A 42 37.471 15.786 -51.160 1.00 15.23 C ATOM 0 H ILE A 42 40.503 18.284 -49.886 1.00 24.51 H new ATOM 0 HA ILE A 42 40.586 15.963 -48.512 1.00 16.04 H new ATOM 0 HB ILE A 42 40.131 16.315 -51.280 1.00 16.09 H new ATOM 0 HG12 ILE A 42 38.240 15.633 -49.283 1.00 13.39 H new ATOM 0 HG13 ILE A 42 38.361 17.076 -49.863 1.00 13.39 H new ATOM 0 HG21 ILE A 42 39.588 14.050 -51.345 1.00 10.45 H new ATOM 0 HG22 ILE A 42 41.094 14.236 -50.891 1.00 10.45 H new ATOM 0 HG23 ILE A 42 39.977 13.910 -49.816 1.00 10.45 H new ATOM 0 HD11 ILE A 42 36.573 15.985 -50.852 1.00 15.23 H new ATOM 0 HD12 ILE A 42 37.662 16.306 -51.956 1.00 15.23 H new ATOM 0 HD13 ILE A 42 37.539 14.841 -51.367 1.00 15.23 H new ATOM 323 N SER A 43 42.806 15.065 -49.013 1.00 19.63 N ATOM 324 CA SER A 43 44.203 14.692 -49.161 1.00 19.24 C ATOM 325 C SER A 43 44.366 13.182 -49.081 1.00 19.96 C ATOM 326 O SER A 43 43.503 12.486 -48.543 1.00 18.24 O ATOM 327 CB SER A 43 45.014 15.374 -48.056 1.00 29.23 C ATOM 328 OG SER A 43 46.022 14.523 -47.540 1.00 48.55 O ATOM 0 H SER A 43 42.350 14.538 -48.509 1.00 19.63 H new ATOM 0 HA SER A 43 44.524 14.980 -50.030 1.00 19.24 H new ATOM 0 HB2 SER A 43 45.421 16.182 -48.406 1.00 29.23 H new ATOM 0 HB3 SER A 43 44.420 15.643 -47.338 1.00 29.23 H new ATOM 0 HG SER A 43 46.059 14.607 -46.705 1.00 48.55 H new ATOM 329 N VAL A 44 45.481 12.686 -49.609 1.00 15.50 N ATOM 330 CA VAL A 44 45.773 11.254 -49.603 1.00 15.71 C ATOM 331 C VAL A 44 47.227 11.008 -49.210 1.00 15.65 C ATOM 332 O VAL A 44 48.110 11.790 -49.546 1.00 26.47 O ATOM 333 CB VAL A 44 45.546 10.616 -51.001 1.00 16.01 C ATOM 334 CG1 VAL A 44 45.851 9.129 -50.958 1.00 22.91 C ATOM 335 CG2 VAL A 44 44.113 10.848 -51.481 1.00 16.15 C ATOM 0 H VAL A 44 46.089 13.168 -49.980 1.00 15.50 H new ATOM 0 HA VAL A 44 45.170 10.849 -48.960 1.00 15.71 H new ATOM 0 HB VAL A 44 46.150 11.042 -51.629 1.00 16.01 H new ATOM 0 HG11 VAL A 44 45.705 8.743 -51.836 1.00 22.91 H new ATOM 0 HG12 VAL A 44 46.775 8.996 -50.696 1.00 22.91 H new ATOM 0 HG13 VAL A 44 45.267 8.697 -50.315 1.00 22.91 H new ATOM 0 HG21 VAL A 44 43.994 10.442 -52.354 1.00 16.15 H new ATOM 0 HG22 VAL A 44 43.492 10.449 -50.852 1.00 16.15 H new ATOM 0 HG23 VAL A 44 43.942 11.801 -51.542 1.00 16.15 H new ATOM 336 N ASN A 45 47.462 9.925 -48.478 1.00 23.33 N ATOM 337 CA ASN A 45 48.807 9.543 -48.060 1.00 19.04 C ATOM 338 C ASN A 45 48.799 8.025 -47.999 1.00 17.05 C ATOM 339 O ASN A 45 48.370 7.427 -47.013 1.00 23.67 O ATOM 340 CB ASN A 45 49.155 10.139 -46.697 1.00 27.03 C ATOM 341 CG ASN A 45 50.647 10.113 -46.416 1.00 31.38 C ATOM 342 OD1 ASN A 45 51.305 9.079 -46.565 1.00 40.54 O ATOM 343 ND2 ASN A 45 51.191 11.256 -46.021 1.00 33.83 N ATOM 0 H ASN A 45 46.845 9.389 -48.209 1.00 23.33 H new ATOM 0 HA ASN A 45 49.476 9.876 -48.678 1.00 19.04 H new ATOM 0 HB2 ASN A 45 48.837 11.055 -46.657 1.00 27.03 H new ATOM 0 HB3 ASN A 45 48.689 9.646 -46.003 1.00 27.03 H new ATOM 0 HD21 ASN A 45 52.034 11.297 -45.858 1.00 33.83 H new ATOM 0 HD22 ASN A 45 50.700 11.956 -45.928 1.00 33.83 H new ATOM 344 N GLY A 46 49.241 7.409 -49.087 1.00 19.16 N ATOM 345 CA GLY A 46 49.240 5.963 -49.168 1.00 20.74 C ATOM 346 C GLY A 46 47.802 5.515 -49.342 1.00 21.88 C ATOM 347 O GLY A 46 47.051 6.093 -50.129 1.00 20.75 O ATOM 0 H GLY A 46 49.544 7.810 -49.785 1.00 19.16 H new ATOM 0 HA2 GLY A 46 49.783 5.663 -49.914 1.00 20.74 H new ATOM 0 HA3 GLY A 46 49.623 5.576 -48.365 1.00 20.74 H new ATOM 348 N ASP A 47 47.402 4.509 -48.577 1.00 19.41 N ATOM 349 CA ASP A 47 46.043 3.993 -48.650 1.00 25.26 C ATOM 350 C ASP A 47 45.091 4.739 -47.723 1.00 18.51 C ATOM 351 O ASP A 47 43.937 4.344 -47.567 1.00 22.94 O ATOM 352 CB ASP A 47 46.025 2.492 -48.322 1.00 38.66 C ATOM 353 CG ASP A 47 46.672 2.158 -46.971 1.00 44.60 C ATOM 354 OD1 ASP A 47 47.171 3.065 -46.268 1.00 47.75 O ATOM 355 OD2 ASP A 47 46.681 0.962 -46.614 1.00 48.63 O ATOM 0 H ASP A 47 47.905 4.109 -48.006 1.00 19.41 H new ATOM 0 HA ASP A 47 45.733 4.131 -49.559 1.00 25.26 H new ATOM 0 HB2 ASP A 47 45.107 2.179 -48.320 1.00 38.66 H new ATOM 0 HB3 ASP A 47 46.488 2.008 -49.024 1.00 38.66 H new ATOM 356 N LEU A 48 45.579 5.814 -47.112 1.00 18.01 N ATOM 357 CA LEU A 48 44.778 6.597 -46.177 1.00 16.38 C ATOM 358 C LEU A 48 44.317 7.919 -46.772 1.00 15.38 C ATOM 359 O LEU A 48 45.129 8.762 -47.151 1.00 19.82 O ATOM 360 CB LEU A 48 45.568 6.853 -44.890 1.00 15.09 C ATOM 361 CG LEU A 48 44.751 7.273 -43.667 1.00 21.88 C ATOM 362 CD1 LEU A 48 43.889 6.113 -43.227 1.00 18.41 C ATOM 363 CD2 LEU A 48 45.665 7.702 -42.533 1.00 24.38 C ATOM 0 H LEU A 48 46.379 6.109 -47.227 1.00 18.01 H new ATOM 0 HA LEU A 48 43.984 6.076 -45.977 1.00 16.38 H new ATOM 0 HB2 LEU A 48 46.057 6.046 -44.667 1.00 15.09 H new ATOM 0 HB3 LEU A 48 46.226 7.543 -45.069 1.00 15.09 H new ATOM 0 HG LEU A 48 44.189 8.028 -43.904 1.00 21.88 H new ATOM 0 HD11 LEU A 48 43.368 6.373 -42.451 1.00 18.41 H new ATOM 0 HD12 LEU A 48 43.291 5.862 -43.948 1.00 18.41 H new ATOM 0 HD13 LEU A 48 44.454 5.358 -42.999 1.00 18.41 H new ATOM 0 HD21 LEU A 48 45.130 7.964 -41.768 1.00 24.38 H new ATOM 0 HD22 LEU A 48 46.242 6.963 -42.285 1.00 24.38 H new ATOM 0 HD23 LEU A 48 46.207 8.453 -42.821 1.00 24.38 H new ATOM 364 N VAL A 49 43.002 8.091 -46.848 1.00 12.45 N ATOM 365 CA VAL A 49 42.411 9.307 -47.388 1.00 9.58 C ATOM 366 C VAL A 49 41.901 10.166 -46.234 1.00 14.87 C ATOM 367 O VAL A 49 41.263 9.666 -45.306 1.00 15.79 O ATOM 368 CB VAL A 49 41.231 8.990 -48.333 1.00 17.61 C ATOM 369 CG1 VAL A 49 40.792 10.255 -49.074 1.00 13.42 C ATOM 370 CG2 VAL A 49 41.612 7.881 -49.312 1.00 12.87 C ATOM 0 H VAL A 49 42.428 7.506 -46.588 1.00 12.45 H new ATOM 0 HA VAL A 49 43.092 9.777 -47.895 1.00 9.58 H new ATOM 0 HB VAL A 49 40.482 8.675 -47.804 1.00 17.61 H new ATOM 0 HG11 VAL A 49 40.051 10.044 -49.664 1.00 13.42 H new ATOM 0 HG12 VAL A 49 40.512 10.926 -48.432 1.00 13.42 H new ATOM 0 HG13 VAL A 49 41.534 10.598 -49.597 1.00 13.42 H new ATOM 0 HG21 VAL A 49 40.862 7.694 -49.897 1.00 12.87 H new ATOM 0 HG22 VAL A 49 42.373 8.165 -49.843 1.00 12.87 H new ATOM 0 HG23 VAL A 49 41.844 7.079 -48.818 1.00 12.87 H new ATOM 371 N THR A 50 42.180 11.461 -46.296 1.00 15.17 N ATOM 372 CA THR A 50 41.744 12.366 -45.250 1.00 14.45 C ATOM 373 C THR A 50 40.988 13.579 -45.785 1.00 15.17 C ATOM 374 O THR A 50 41.471 14.298 -46.657 1.00 16.87 O ATOM 375 CB THR A 50 42.929 12.777 -44.335 1.00 15.75 C ATOM 376 OG1 THR A 50 42.661 14.045 -43.729 1.00 30.67 O ATOM 377 CG2 THR A 50 44.228 12.838 -45.111 1.00 29.05 C ATOM 0 H THR A 50 42.620 11.833 -46.935 1.00 15.17 H new ATOM 0 HA THR A 50 41.105 11.877 -44.708 1.00 14.45 H new ATOM 0 HB THR A 50 43.024 12.103 -43.644 1.00 15.75 H new ATOM 0 HG1 THR A 50 43.305 14.261 -43.235 1.00 30.67 H new ATOM 0 HG21 THR A 50 44.949 13.097 -44.516 1.00 29.05 H new ATOM 0 HG22 THR A 50 44.420 11.966 -45.491 1.00 29.05 H new ATOM 0 HG23 THR A 50 44.149 13.490 -45.824 1.00 29.05 H new ATOM 378 N ILE A 51 39.770 13.757 -45.279 1.00 12.74 N ATOM 379 CA ILE A 51 38.895 14.860 -45.665 1.00 18.50 C ATOM 380 C ILE A 51 38.757 15.817 -44.483 1.00 23.09 C ATOM 381 O ILE A 51 38.106 15.505 -43.485 1.00 28.00 O ATOM 382 CB ILE A 51 37.485 14.350 -46.079 1.00 20.21 C ATOM 383 CG1 ILE A 51 37.599 13.401 -47.275 1.00 14.60 C ATOM 384 CG2 ILE A 51 36.573 15.525 -46.416 1.00 17.67 C ATOM 385 CD1 ILE A 51 36.283 12.810 -47.717 1.00 22.30 C ATOM 0 H ILE A 51 39.424 13.232 -44.693 1.00 12.74 H new ATOM 0 HA ILE A 51 39.288 15.311 -46.428 1.00 18.50 H new ATOM 0 HB ILE A 51 37.097 13.865 -45.334 1.00 20.21 H new ATOM 0 HG12 ILE A 51 37.994 13.880 -48.020 1.00 14.60 H new ATOM 0 HG13 ILE A 51 38.207 12.680 -47.047 1.00 14.60 H new ATOM 0 HG21 ILE A 51 35.698 15.193 -46.672 1.00 17.67 H new ATOM 0 HG22 ILE A 51 36.486 16.100 -45.640 1.00 17.67 H new ATOM 0 HG23 ILE A 51 36.954 16.030 -47.151 1.00 17.67 H new ATOM 0 HD11 ILE A 51 36.430 12.222 -48.474 1.00 22.30 H new ATOM 0 HD12 ILE A 51 35.894 12.304 -46.987 1.00 22.30 H new ATOM 0 HD13 ILE A 51 35.678 13.523 -47.974 1.00 22.30 H new ATOM 386 N ARG A 52 39.375 16.986 -44.604 1.00 27.38 N ATOM 387 CA ARG A 52 39.342 17.979 -43.545 1.00 23.19 C ATOM 388 C ARG A 52 38.416 19.127 -43.912 1.00 29.33 C ATOM 389 O ARG A 52 38.568 19.743 -44.962 1.00 41.59 O ATOM 390 CB ARG A 52 40.755 18.498 -43.286 1.00 27.71 C ATOM 391 CG ARG A 52 40.914 19.328 -42.019 1.00 47.65 C ATOM 392 CD ARG A 52 42.367 19.756 -41.826 1.00 56.25 C ATOM 393 NE ARG A 52 43.284 18.615 -41.890 1.00 68.54 N ATOM 394 CZ ARG A 52 44.279 18.494 -42.768 1.00 69.83 C ATOM 395 NH1 ARG A 52 44.504 19.449 -43.664 1.00 65.33 N ATOM 396 NH2 ARG A 52 45.031 17.398 -42.773 1.00 66.80 N ATOM 0 H ARG A 52 39.822 17.223 -45.299 1.00 27.38 H new ATOM 0 HA ARG A 52 39.001 17.564 -42.737 1.00 23.19 H new ATOM 0 HB2 ARG A 52 41.359 17.741 -43.238 1.00 27.71 H new ATOM 0 HB3 ARG A 52 41.032 19.035 -44.045 1.00 27.71 H new ATOM 0 HG2 ARG A 52 40.346 20.113 -42.069 1.00 47.65 H new ATOM 0 HG3 ARG A 52 40.620 18.813 -41.251 1.00 47.65 H new ATOM 0 HD2 ARG A 52 42.607 20.402 -42.508 1.00 56.25 H new ATOM 0 HD3 ARG A 52 42.462 20.200 -40.969 1.00 56.25 H new ATOM 0 HE ARG A 52 43.172 17.979 -41.322 1.00 68.54 H new ATOM 0 HH11 ARG A 52 44.006 20.150 -43.679 1.00 65.33 H new ATOM 0 HH12 ARG A 52 45.148 19.366 -44.228 1.00 65.33 H new ATOM 0 HH21 ARG A 52 44.875 16.767 -42.210 1.00 66.80 H new ATOM 0 HH22 ARG A 52 45.673 17.320 -43.340 1.00 66.80 H new ATOM 397 N SER A 53 37.431 19.379 -43.058 1.00 30.44 N ATOM 398 CA SER A 53 36.478 20.463 -43.271 1.00 26.24 C ATOM 399 C SER A 53 36.744 21.557 -42.257 1.00 30.94 C ATOM 400 O SER A 53 36.815 21.297 -41.055 1.00 37.26 O ATOM 401 CB SER A 53 35.055 19.974 -43.074 1.00 18.20 C ATOM 402 OG SER A 53 34.122 21.004 -43.350 1.00 36.27 O ATOM 0 H SER A 53 37.296 18.927 -42.339 1.00 30.44 H new ATOM 0 HA SER A 53 36.583 20.792 -44.177 1.00 26.24 H new ATOM 0 HB2 SER A 53 34.886 19.216 -43.655 1.00 18.20 H new ATOM 0 HB3 SER A 53 34.939 19.664 -42.162 1.00 18.20 H new ATOM 0 HG SER A 53 33.511 20.704 -43.842 1.00 36.27 H new ATOM 403 N GLU A 54 36.895 22.781 -42.741 1.00 35.24 N ATOM 404 CA GLU A 54 37.143 23.907 -41.856 1.00 38.83 C ATOM 405 C GLU A 54 36.043 24.942 -42.037 1.00 41.30 C ATOM 406 O GLU A 54 35.830 25.461 -43.133 1.00 35.64 O ATOM 407 CB GLU A 54 38.540 24.484 -42.092 1.00 35.93 C ATOM 408 CG GLU A 54 39.639 23.494 -41.720 1.00 39.58 C ATOM 409 CD GLU A 54 41.033 24.047 -41.883 1.00 41.86 C ATOM 410 OE1 GLU A 54 41.271 24.788 -42.861 1.00 48.83 O ATOM 411 OE2 GLU A 54 41.897 23.722 -41.037 1.00 41.12 O ATOM 0 H GLU A 54 36.858 22.981 -43.577 1.00 35.24 H new ATOM 0 HA GLU A 54 37.123 23.611 -40.933 1.00 38.83 H new ATOM 0 HB2 GLU A 54 38.633 24.733 -43.025 1.00 35.93 H new ATOM 0 HB3 GLU A 54 38.646 25.295 -41.570 1.00 35.93 H new ATOM 0 HG2 GLU A 54 39.515 23.217 -40.799 1.00 39.58 H new ATOM 0 HG3 GLU A 54 39.548 22.700 -42.270 1.00 39.58 H new ATOM 412 N SER A 55 35.320 25.196 -40.951 1.00 42.84 N ATOM 413 CA SER A 55 34.206 26.126 -40.962 1.00 46.57 C ATOM 414 C SER A 55 34.168 26.978 -39.700 1.00 53.38 C ATOM 415 O SER A 55 34.863 26.694 -38.723 1.00 56.16 O ATOM 416 CB SER A 55 32.905 25.332 -41.080 1.00 44.98 C ATOM 417 OG SER A 55 31.782 26.184 -41.071 1.00 55.06 O ATOM 0 H SER A 55 35.465 24.831 -40.186 1.00 42.84 H new ATOM 0 HA SER A 55 34.314 26.724 -41.718 1.00 46.57 H new ATOM 0 HB2 SER A 55 32.913 24.813 -41.900 1.00 44.98 H new ATOM 0 HB3 SER A 55 32.841 24.701 -40.346 1.00 44.98 H new ATOM 0 HG SER A 55 31.095 25.741 -40.878 1.00 55.06 H new ATOM 418 N THR A 56 33.352 28.029 -39.741 1.00 57.17 N ATOM 419 CA THR A 56 33.172 28.933 -38.606 1.00 56.67 C ATOM 420 C THR A 56 32.293 28.202 -37.590 1.00 48.90 C ATOM 421 O THR A 56 32.218 28.574 -36.419 1.00 47.77 O ATOM 422 CB THR A 56 32.456 30.239 -39.035 1.00 61.75 C ATOM 423 OG1 THR A 56 33.019 30.723 -40.262 1.00 65.20 O ATOM 424 CG2 THR A 56 32.619 31.312 -37.967 1.00 67.07 C ATOM 0 H THR A 56 32.885 28.239 -40.432 1.00 57.17 H new ATOM 0 HA THR A 56 34.037 29.173 -38.238 1.00 56.67 H new ATOM 0 HB THR A 56 31.514 30.043 -39.155 1.00 61.75 H new ATOM 0 HG1 THR A 56 32.627 31.430 -40.491 1.00 65.20 H new ATOM 0 HG21 THR A 56 32.166 32.122 -38.250 1.00 67.07 H new ATOM 0 HG22 THR A 56 32.233 31.000 -37.133 1.00 67.07 H new ATOM 0 HG23 THR A 56 33.562 31.498 -37.836 1.00 67.07 H new ATOM 425 N PHE A 57 31.633 27.152 -38.067 1.00 47.71 N ATOM 426 CA PHE A 57 30.751 26.328 -37.259 1.00 46.33 C ATOM 427 C PHE A 57 31.534 25.292 -36.445 1.00 48.31 C ATOM 428 O PHE A 57 31.442 25.271 -35.217 1.00 47.40 O ATOM 429 CB PHE A 57 29.735 25.637 -38.174 1.00 44.07 C ATOM 430 CG PHE A 57 28.786 24.733 -37.455 1.00 45.73 C ATOM 431 CD1 PHE A 57 27.954 25.229 -36.456 1.00 48.31 C ATOM 432 CD2 PHE A 57 28.719 23.381 -37.781 1.00 44.70 C ATOM 433 CE1 PHE A 57 27.065 24.391 -35.789 1.00 50.21 C ATOM 434 CE2 PHE A 57 27.837 22.533 -37.124 1.00 47.99 C ATOM 435 CZ PHE A 57 27.006 23.039 -36.123 1.00 52.16 C ATOM 0 H PHE A 57 31.688 26.896 -38.886 1.00 47.71 H new ATOM 0 HA PHE A 57 30.288 26.898 -36.625 1.00 46.33 H new ATOM 0 HB2 PHE A 57 29.227 26.314 -38.647 1.00 44.07 H new ATOM 0 HB3 PHE A 57 30.213 25.123 -38.843 1.00 44.07 H new ATOM 0 HD1 PHE A 57 27.992 26.131 -36.231 1.00 48.31 H new ATOM 0 HD2 PHE A 57 29.272 23.041 -38.447 1.00 44.70 H new ATOM 0 HE1 PHE A 57 26.513 24.732 -35.123 1.00 50.21 H new ATOM 0 HE2 PHE A 57 27.800 21.632 -37.350 1.00 47.99 H new ATOM 0 HZ PHE A 57 26.414 22.475 -35.680 1.00 52.16 H new ATOM 436 N LYS A 58 32.314 24.454 -37.130 1.00 48.77 N ATOM 437 CA LYS A 58 33.108 23.409 -36.475 1.00 43.96 C ATOM 438 C LYS A 58 34.095 22.752 -37.442 1.00 36.19 C ATOM 439 O LYS A 58 33.733 22.407 -38.566 1.00 41.80 O ATOM 440 CB LYS A 58 32.182 22.340 -35.881 1.00 44.10 C ATOM 441 CG LYS A 58 32.887 21.236 -35.112 1.00 49.80 C ATOM 442 CD LYS A 58 31.876 20.279 -34.503 1.00 57.43 C ATOM 443 CE LYS A 58 32.552 19.074 -33.861 1.00 58.71 C ATOM 444 NZ LYS A 58 31.557 18.112 -33.298 1.00 53.99 N ATOM 0 H LYS A 58 32.398 24.474 -37.986 1.00 48.77 H new ATOM 0 HA LYS A 58 33.619 23.832 -35.768 1.00 43.96 H new ATOM 0 HB2 LYS A 58 31.547 22.774 -35.289 1.00 44.10 H new ATOM 0 HB3 LYS A 58 31.670 21.939 -36.601 1.00 44.10 H new ATOM 0 HG2 LYS A 58 33.482 20.751 -35.705 1.00 49.80 H new ATOM 0 HG3 LYS A 58 33.436 21.622 -34.412 1.00 49.80 H new ATOM 0 HD2 LYS A 58 31.349 20.747 -33.837 1.00 57.43 H new ATOM 0 HD3 LYS A 58 31.262 19.977 -35.190 1.00 57.43 H new ATOM 0 HE2 LYS A 58 33.101 18.622 -34.521 1.00 58.71 H new ATOM 0 HE3 LYS A 58 33.146 19.375 -33.155 1.00 58.71 H new ATOM 0 HZ1 LYS A 58 31.963 17.344 -33.104 1.00 53.99 H new ATOM 0 HZ2 LYS A 58 31.199 18.454 -32.558 1.00 53.99 H new ATOM 0 HZ3 LYS A 58 30.915 17.964 -33.896 1.00 53.99 H new ATOM 445 N ASN A 59 35.343 22.597 -37.000 1.00 29.50 N ATOM 446 CA ASN A 59 36.385 21.975 -37.816 1.00 25.04 C ATOM 447 C ASN A 59 36.392 20.472 -37.587 1.00 31.79 C ATOM 448 O ASN A 59 36.632 20.015 -36.472 1.00 37.62 O ATOM 449 CB ASN A 59 37.767 22.526 -37.457 1.00 28.31 C ATOM 450 CG ASN A 59 37.877 24.023 -37.655 1.00 32.58 C ATOM 451 OD1 ASN A 59 38.528 24.710 -36.873 1.00 38.22 O ATOM 452 ND2 ASN A 59 37.251 24.535 -38.707 1.00 34.79 N ATOM 0 H ASN A 59 35.608 22.849 -36.222 1.00 29.50 H new ATOM 0 HA ASN A 59 36.193 22.175 -38.745 1.00 25.04 H new ATOM 0 HB2 ASN A 59 37.965 22.312 -36.532 1.00 28.31 H new ATOM 0 HB3 ASN A 59 38.437 22.083 -38.000 1.00 28.31 H new ATOM 0 HD21 ASN A 59 37.292 25.380 -38.863 1.00 34.79 H new ATOM 0 HD22 ASN A 59 36.804 24.022 -39.233 1.00 34.79 H new ATOM 453 N THR A 60 36.129 19.709 -38.644 1.00 31.93 N ATOM 454 CA THR A 60 36.114 18.251 -38.558 1.00 24.48 C ATOM 455 C THR A 60 37.177 17.637 -39.452 1.00 17.06 C ATOM 456 O THR A 60 37.595 18.231 -40.441 1.00 24.26 O ATOM 457 CB THR A 60 34.739 17.661 -38.944 1.00 26.99 C ATOM 458 OG1 THR A 60 34.393 18.063 -40.278 1.00 34.30 O ATOM 459 CG2 THR A 60 33.660 18.128 -37.971 1.00 25.26 C ATOM 0 H THR A 60 35.955 20.019 -39.427 1.00 31.93 H new ATOM 0 HA THR A 60 36.299 18.032 -37.631 1.00 24.48 H new ATOM 0 HB THR A 60 34.797 16.694 -38.902 1.00 26.99 H new ATOM 0 HG1 THR A 60 33.646 17.739 -40.484 1.00 34.30 H new ATOM 0 HG21 THR A 60 32.805 17.748 -38.229 1.00 25.26 H new ATOM 0 HG22 THR A 60 33.885 17.837 -37.074 1.00 25.26 H new ATOM 0 HG23 THR A 60 33.603 19.096 -37.991 1.00 25.26 H new ATOM 460 N GLU A 61 37.629 16.450 -39.078 1.00 17.57 N ATOM 461 CA GLU A 61 38.636 15.741 -39.845 1.00 16.51 C ATOM 462 C GLU A 61 38.424 14.243 -39.745 1.00 21.83 C ATOM 463 O GLU A 61 38.277 13.691 -38.652 1.00 32.74 O ATOM 464 CB GLU A 61 40.043 16.089 -39.356 1.00 15.94 C ATOM 465 CG GLU A 61 41.145 15.257 -40.015 1.00 17.81 C ATOM 466 CD GLU A 61 42.532 15.560 -39.481 1.00 27.00 C ATOM 467 OE1 GLU A 61 42.646 16.129 -38.374 1.00 28.20 O ATOM 468 OE2 GLU A 61 43.518 15.216 -40.167 1.00 33.54 O ATOM 0 H GLU A 61 37.361 16.034 -38.374 1.00 17.57 H new ATOM 0 HA GLU A 61 38.549 16.016 -40.771 1.00 16.51 H new ATOM 0 HB2 GLU A 61 40.213 17.029 -39.526 1.00 15.94 H new ATOM 0 HB3 GLU A 61 40.084 15.962 -38.395 1.00 15.94 H new ATOM 0 HG2 GLU A 61 40.953 14.316 -39.882 1.00 17.81 H new ATOM 0 HG3 GLU A 61 41.132 15.416 -40.972 1.00 17.81 H new ATOM 469 N ILE A 62 38.349 13.596 -40.899 1.00 25.80 N ATOM 470 CA ILE A 62 38.196 12.156 -40.943 1.00 18.78 C ATOM 471 C ILE A 62 39.286 11.592 -41.831 1.00 23.75 C ATOM 472 O ILE A 62 39.599 12.154 -42.883 1.00 17.75 O ATOM 473 CB ILE A 62 36.816 11.705 -41.476 1.00 17.76 C ATOM 474 CG1 ILE A 62 36.541 12.309 -42.854 1.00 20.27 C ATOM 475 CG2 ILE A 62 35.733 12.032 -40.464 1.00 18.73 C ATOM 476 CD1 ILE A 62 35.334 11.712 -43.562 1.00 11.40 C ATOM 0 H ILE A 62 38.385 13.976 -41.669 1.00 25.80 H new ATOM 0 HA ILE A 62 38.264 11.823 -40.034 1.00 18.78 H new ATOM 0 HB ILE A 62 36.817 10.742 -41.594 1.00 17.76 H new ATOM 0 HG12 ILE A 62 36.407 13.265 -42.757 1.00 20.27 H new ATOM 0 HG13 ILE A 62 37.325 12.187 -43.412 1.00 20.27 H new ATOM 0 HG21 ILE A 62 34.872 11.746 -40.807 1.00 18.73 H new ATOM 0 HG22 ILE A 62 35.918 11.571 -39.631 1.00 18.73 H new ATOM 0 HG23 ILE A 62 35.716 12.989 -40.306 1.00 18.73 H new ATOM 0 HD11 ILE A 62 35.220 12.140 -44.425 1.00 11.40 H new ATOM 0 HD12 ILE A 62 35.471 10.760 -43.689 1.00 11.40 H new ATOM 0 HD13 ILE A 62 34.540 11.854 -43.024 1.00 11.40 H new ATOM 477 N SER A 63 39.933 10.544 -41.336 1.00 15.59 N ATOM 478 CA SER A 63 40.974 9.851 -42.070 1.00 17.23 C ATOM 479 C SER A 63 40.438 8.433 -42.195 1.00 15.23 C ATOM 480 O SER A 63 39.888 7.889 -41.241 1.00 22.89 O ATOM 481 CB SER A 63 42.294 9.889 -41.304 1.00 15.95 C ATOM 482 OG SER A 63 42.762 11.223 -41.203 1.00 32.27 O ATOM 0 H SER A 63 39.776 10.215 -40.557 1.00 15.59 H new ATOM 0 HA SER A 63 41.166 10.251 -42.933 1.00 17.23 H new ATOM 0 HB2 SER A 63 42.173 9.514 -40.418 1.00 15.95 H new ATOM 0 HB3 SER A 63 42.954 9.341 -41.756 1.00 15.95 H new ATOM 0 HG SER A 63 43.487 11.234 -40.779 1.00 32.27 H new ATOM 483 N PHE A 64 40.572 7.841 -43.374 1.00 18.88 N ATOM 484 CA PHE A 64 40.039 6.507 -43.593 1.00 10.86 C ATOM 485 C PHE A 64 40.644 5.792 -44.784 1.00 12.93 C ATOM 486 O PHE A 64 41.350 6.382 -45.603 1.00 14.64 O ATOM 487 CB PHE A 64 38.530 6.610 -43.831 1.00 12.44 C ATOM 488 CG PHE A 64 38.169 7.479 -45.006 1.00 17.87 C ATOM 489 CD1 PHE A 64 38.049 8.858 -44.854 1.00 19.02 C ATOM 490 CD2 PHE A 64 38.003 6.927 -46.276 1.00 16.20 C ATOM 491 CE1 PHE A 64 37.777 9.676 -45.948 1.00 15.27 C ATOM 492 CE2 PHE A 64 37.731 7.734 -47.375 1.00 14.23 C ATOM 493 CZ PHE A 64 37.619 9.112 -47.210 1.00 19.23 C ATOM 0 H PHE A 64 40.965 8.191 -44.054 1.00 18.88 H new ATOM 0 HA PHE A 64 40.259 5.993 -42.801 1.00 10.86 H new ATOM 0 HB2 PHE A 64 38.170 5.720 -43.972 1.00 12.44 H new ATOM 0 HB3 PHE A 64 38.107 6.964 -43.033 1.00 12.44 H new ATOM 0 HD1 PHE A 64 38.152 9.238 -44.011 1.00 19.02 H new ATOM 0 HD2 PHE A 64 38.075 6.007 -46.389 1.00 16.20 H new ATOM 0 HE1 PHE A 64 37.701 10.596 -45.835 1.00 15.27 H new ATOM 0 HE2 PHE A 64 37.624 7.355 -48.217 1.00 14.23 H new ATOM 0 HZ PHE A 64 37.439 9.655 -47.943 1.00 19.23 H new ATOM 494 N LYS A 65 40.334 4.504 -44.863 1.00 7.72 N ATOM 495 CA LYS A 65 40.753 3.650 -45.960 1.00 10.95 C ATOM 496 C LYS A 65 39.438 3.350 -46.679 1.00 9.60 C ATOM 497 O LYS A 65 38.384 3.287 -46.042 1.00 15.08 O ATOM 498 CB LYS A 65 41.342 2.334 -45.438 1.00 14.17 C ATOM 499 CG LYS A 65 42.655 2.438 -44.682 1.00 14.65 C ATOM 500 CD LYS A 65 43.060 1.059 -44.179 1.00 26.03 C ATOM 501 CE LYS A 65 44.332 1.091 -43.340 1.00 36.21 C ATOM 502 NZ LYS A 65 45.548 1.429 -44.125 1.00 36.37 N ATOM 0 H LYS A 65 39.865 4.096 -44.268 1.00 7.72 H new ATOM 0 HA LYS A 65 41.432 4.064 -46.515 1.00 10.95 H new ATOM 0 HB2 LYS A 65 40.688 1.917 -44.856 1.00 14.17 H new ATOM 0 HB3 LYS A 65 41.471 1.738 -46.192 1.00 14.17 H new ATOM 0 HG2 LYS A 65 43.345 2.798 -45.261 1.00 14.65 H new ATOM 0 HG3 LYS A 65 42.562 3.051 -43.936 1.00 14.65 H new ATOM 0 HD2 LYS A 65 42.337 0.686 -43.650 1.00 26.03 H new ATOM 0 HD3 LYS A 65 43.191 0.468 -44.937 1.00 26.03 H new ATOM 0 HE2 LYS A 65 44.225 1.740 -42.627 1.00 36.21 H new ATOM 0 HE3 LYS A 65 44.456 0.226 -42.920 1.00 36.21 H new ATOM 0 HZ1 LYS A 65 46.272 1.171 -43.676 1.00 36.37 H new ATOM 0 HZ2 LYS A 65 45.521 1.010 -44.910 1.00 36.37 H new ATOM 0 HZ3 LYS A 65 45.580 2.308 -44.259 1.00 36.37 H new ATOM 503 N LEU A 66 39.483 3.195 -47.997 1.00 13.70 N ATOM 504 CA LEU A 66 38.273 2.889 -48.758 1.00 9.58 C ATOM 505 C LEU A 66 37.761 1.487 -48.429 1.00 4.84 C ATOM 506 O LEU A 66 38.544 0.582 -48.139 1.00 12.11 O ATOM 507 CB LEU A 66 38.544 2.996 -50.260 1.00 12.57 C ATOM 508 CG LEU A 66 38.746 4.388 -50.864 1.00 13.96 C ATOM 509 CD1 LEU A 66 39.466 4.279 -52.202 1.00 12.18 C ATOM 510 CD2 LEU A 66 37.407 5.077 -51.025 1.00 9.61 C ATOM 0 H LEU A 66 40.199 3.262 -48.469 1.00 13.70 H new ATOM 0 HA LEU A 66 37.594 3.536 -48.509 1.00 9.58 H new ATOM 0 HB2 LEU A 66 39.336 2.471 -50.456 1.00 12.57 H new ATOM 0 HB3 LEU A 66 37.803 2.577 -50.725 1.00 12.57 H new ATOM 0 HG LEU A 66 39.296 4.920 -50.267 1.00 13.96 H new ATOM 0 HD11 LEU A 66 39.589 5.165 -52.577 1.00 12.18 H new ATOM 0 HD12 LEU A 66 40.331 3.861 -52.071 1.00 12.18 H new ATOM 0 HD13 LEU A 66 38.937 3.742 -52.812 1.00 12.18 H new ATOM 0 HD21 LEU A 66 37.540 5.958 -51.408 1.00 9.61 H new ATOM 0 HD22 LEU A 66 36.841 4.552 -51.612 1.00 9.61 H new ATOM 0 HD23 LEU A 66 36.981 5.163 -50.158 1.00 9.61 H new ATOM 511 N GLY A 67 36.442 1.329 -48.440 1.00 11.02 N ATOM 512 CA GLY A 67 35.833 0.041 -48.162 1.00 8.75 C ATOM 513 C GLY A 67 35.982 -0.497 -46.749 1.00 16.47 C ATOM 514 O GLY A 67 35.593 -1.633 -46.488 1.00 24.83 O ATOM 0 H GLY A 67 35.882 1.960 -48.607 1.00 11.02 H new ATOM 0 HA2 GLY A 67 34.886 0.105 -48.363 1.00 8.75 H new ATOM 0 HA3 GLY A 67 36.210 -0.610 -48.775 1.00 8.75 H new ATOM 515 N VAL A 68 36.565 0.283 -45.844 1.00 14.83 N ATOM 516 CA VAL A 68 36.727 -0.160 -44.461 1.00 11.29 C ATOM 517 C VAL A 68 35.917 0.720 -43.506 1.00 15.66 C ATOM 518 O VAL A 68 36.178 1.916 -43.364 1.00 15.21 O ATOM 519 CB VAL A 68 38.201 -0.158 -44.022 1.00 6.59 C ATOM 520 CG1 VAL A 68 38.313 -0.640 -42.597 1.00 5.16 C ATOM 521 CG2 VAL A 68 39.027 -1.046 -44.930 1.00 2.03 C ATOM 0 H VAL A 68 36.873 1.069 -46.008 1.00 14.83 H new ATOM 0 HA VAL A 68 36.397 -1.071 -44.423 1.00 11.29 H new ATOM 0 HB VAL A 68 38.540 0.749 -44.082 1.00 6.59 H new ATOM 0 HG11 VAL A 68 39.244 -0.636 -42.326 1.00 5.16 H new ATOM 0 HG12 VAL A 68 37.805 -0.052 -42.016 1.00 5.16 H new ATOM 0 HG13 VAL A 68 37.961 -1.542 -42.532 1.00 5.16 H new ATOM 0 HG21 VAL A 68 39.953 -1.034 -44.640 1.00 2.03 H new ATOM 0 HG22 VAL A 68 38.688 -1.954 -44.890 1.00 2.03 H new ATOM 0 HG23 VAL A 68 38.970 -0.719 -45.842 1.00 2.03 H new ATOM 522 N GLU A 69 34.943 0.105 -42.846 1.00 10.41 N ATOM 523 CA GLU A 69 34.068 0.793 -41.899 1.00 12.68 C ATOM 524 C GLU A 69 34.853 1.505 -40.795 1.00 12.37 C ATOM 525 O GLU A 69 35.841 0.975 -40.288 1.00 20.46 O ATOM 526 CB GLU A 69 33.109 -0.219 -41.272 1.00 12.48 C ATOM 527 CG GLU A 69 31.941 0.394 -40.526 1.00 31.16 C ATOM 528 CD GLU A 69 31.139 -0.636 -39.753 1.00 32.87 C ATOM 529 OE1 GLU A 69 31.754 -1.400 -38.974 1.00 27.63 O ATOM 530 OE2 GLU A 69 29.898 -0.673 -39.919 1.00 35.32 O ATOM 0 H GLU A 69 34.768 -0.732 -42.935 1.00 10.41 H new ATOM 0 HA GLU A 69 33.577 1.470 -42.390 1.00 12.68 H new ATOM 0 HB2 GLU A 69 32.764 -0.795 -41.972 1.00 12.48 H new ATOM 0 HB3 GLU A 69 33.608 -0.783 -40.660 1.00 12.48 H new ATOM 0 HG2 GLU A 69 32.271 1.069 -39.913 1.00 31.16 H new ATOM 0 HG3 GLU A 69 31.359 0.845 -41.157 1.00 31.16 H new ATOM 531 N PHE A 70 34.428 2.719 -40.446 1.00 15.56 N ATOM 532 CA PHE A 70 35.090 3.486 -39.391 1.00 11.21 C ATOM 533 C PHE A 70 34.107 4.265 -38.534 1.00 14.30 C ATOM 534 O PHE A 70 32.939 4.414 -38.894 1.00 21.62 O ATOM 535 CB PHE A 70 36.178 4.423 -39.955 1.00 15.14 C ATOM 536 CG PHE A 70 35.659 5.508 -40.865 1.00 15.29 C ATOM 537 CD1 PHE A 70 35.324 5.233 -42.188 1.00 22.35 C ATOM 538 CD2 PHE A 70 35.541 6.815 -40.408 1.00 19.17 C ATOM 539 CE1 PHE A 70 34.881 6.242 -43.044 1.00 24.38 C ATOM 540 CE2 PHE A 70 35.100 7.833 -41.255 1.00 19.27 C ATOM 541 CZ PHE A 70 34.769 7.545 -42.575 1.00 20.92 C ATOM 0 H PHE A 70 33.757 3.117 -40.808 1.00 15.56 H new ATOM 0 HA PHE A 70 35.522 2.833 -38.818 1.00 11.21 H new ATOM 0 HB2 PHE A 70 36.649 4.836 -39.214 1.00 15.14 H new ATOM 0 HB3 PHE A 70 36.826 3.891 -40.442 1.00 15.14 H new ATOM 0 HD1 PHE A 70 35.397 4.362 -42.507 1.00 22.35 H new ATOM 0 HD2 PHE A 70 35.759 7.014 -39.526 1.00 19.17 H new ATOM 0 HE1 PHE A 70 34.661 6.043 -43.926 1.00 24.38 H new ATOM 0 HE2 PHE A 70 35.027 8.704 -40.937 1.00 19.27 H new ATOM 0 HZ PHE A 70 34.474 8.221 -43.141 1.00 20.92 H new ATOM 542 N ASP A 71 34.581 4.701 -37.367 1.00 20.21 N ATOM 543 CA ASP A 71 33.777 5.477 -36.427 1.00 17.05 C ATOM 544 C ASP A 71 33.981 6.963 -36.659 1.00 13.75 C ATOM 545 O ASP A 71 35.110 7.434 -36.837 1.00 14.09 O ATOM 546 CB ASP A 71 34.130 5.113 -34.984 1.00 15.60 C ATOM 547 CG ASP A 71 33.645 3.736 -34.605 1.00 18.61 C ATOM 548 OD1 ASP A 71 32.425 3.491 -34.716 1.00 28.41 O ATOM 549 OD2 ASP A 71 34.478 2.898 -34.206 1.00 23.34 O ATOM 0 H ASP A 71 35.384 4.553 -37.098 1.00 20.21 H new ATOM 0 HA ASP A 71 32.843 5.263 -36.577 1.00 17.05 H new ATOM 0 HB2 ASP A 71 35.092 5.158 -34.868 1.00 15.60 H new ATOM 0 HB3 ASP A 71 33.741 5.767 -34.383 1.00 15.60 H new ATOM 550 N GLU A 72 32.886 7.710 -36.606 1.00 17.33 N ATOM 551 CA GLU A 72 32.948 9.137 -36.850 1.00 17.68 C ATOM 552 C GLU A 72 31.966 9.927 -35.995 1.00 24.48 C ATOM 553 O GLU A 72 30.850 9.473 -35.722 1.00 16.69 O ATOM 554 CB GLU A 72 32.659 9.389 -38.332 1.00 21.55 C ATOM 555 CG GLU A 72 32.513 10.849 -38.740 1.00 25.62 C ATOM 556 CD GLU A 72 31.997 11.009 -40.158 1.00 24.73 C ATOM 557 OE1 GLU A 72 31.496 10.016 -40.734 1.00 23.84 O ATOM 558 OE2 GLU A 72 32.082 12.132 -40.696 1.00 25.14 O ATOM 0 H GLU A 72 32.100 7.408 -36.430 1.00 17.33 H new ATOM 0 HA GLU A 72 33.836 9.443 -36.608 1.00 17.68 H new ATOM 0 HB2 GLU A 72 33.374 8.995 -38.855 1.00 21.55 H new ATOM 0 HB3 GLU A 72 31.843 8.921 -38.569 1.00 21.55 H new ATOM 0 HG2 GLU A 72 31.907 11.294 -38.127 1.00 25.62 H new ATOM 0 HG3 GLU A 72 33.373 11.291 -38.660 1.00 25.62 H new ATOM 559 N ILE A 73 32.418 11.090 -35.535 1.00 20.43 N ATOM 560 CA ILE A 73 31.582 11.986 -34.752 1.00 23.91 C ATOM 561 C ILE A 73 31.342 13.137 -35.716 1.00 19.93 C ATOM 562 O ILE A 73 32.250 13.922 -35.988 1.00 27.35 O ATOM 563 CB ILE A 73 32.310 12.532 -33.488 1.00 27.50 C ATOM 564 CG1 ILE A 73 32.931 11.393 -32.677 1.00 16.92 C ATOM 565 CG2 ILE A 73 31.321 13.292 -32.606 1.00 19.29 C ATOM 566 CD1 ILE A 73 31.922 10.440 -32.075 1.00 20.01 C ATOM 0 H ILE A 73 33.217 11.379 -35.669 1.00 20.43 H new ATOM 0 HA ILE A 73 30.783 11.542 -34.426 1.00 23.91 H new ATOM 0 HB ILE A 73 33.017 13.128 -33.783 1.00 27.50 H new ATOM 0 HG12 ILE A 73 33.533 10.892 -33.250 1.00 16.92 H new ATOM 0 HG13 ILE A 73 33.468 11.772 -31.964 1.00 16.92 H new ATOM 0 HG21 ILE A 73 31.780 13.629 -31.821 1.00 19.29 H new ATOM 0 HG22 ILE A 73 30.947 14.035 -33.105 1.00 19.29 H new ATOM 0 HG23 ILE A 73 30.607 12.695 -32.331 1.00 19.29 H new ATOM 0 HD11 ILE A 73 32.386 9.748 -31.578 1.00 20.01 H new ATOM 0 HD12 ILE A 73 31.333 10.927 -31.477 1.00 20.01 H new ATOM 0 HD13 ILE A 73 31.399 10.033 -32.783 1.00 20.01 H new ATOM 567 N THR A 74 30.141 13.201 -36.277 1.00 18.24 N ATOM 568 CA THR A 74 29.801 14.253 -37.229 1.00 17.42 C ATOM 569 C THR A 74 29.841 15.644 -36.592 1.00 23.31 C ATOM 570 O THR A 74 29.955 15.772 -35.372 1.00 23.04 O ATOM 571 CB THR A 74 28.420 14.003 -37.844 1.00 17.95 C ATOM 572 OG1 THR A 74 27.423 14.080 -36.821 1.00 21.18 O ATOM 573 CG2 THR A 74 28.374 12.619 -38.475 1.00 13.76 C ATOM 0 H THR A 74 29.506 12.643 -36.120 1.00 18.24 H new ATOM 0 HA THR A 74 30.473 14.227 -37.928 1.00 17.42 H new ATOM 0 HB THR A 74 28.251 14.674 -38.524 1.00 17.95 H new ATOM 0 HG1 THR A 74 26.879 14.693 -37.005 1.00 21.18 H new ATOM 0 HG21 THR A 74 27.497 12.468 -38.862 1.00 13.76 H new ATOM 0 HG22 THR A 74 29.048 12.557 -39.170 1.00 13.76 H new ATOM 0 HG23 THR A 74 28.547 11.948 -37.796 1.00 13.76 H new ATOM 574 N ALA A 75 29.772 16.680 -37.424 1.00 23.38 N ATOM 575 CA ALA A 75 29.805 18.059 -36.941 1.00 24.84 C ATOM 576 C ALA A 75 28.648 18.350 -35.989 1.00 31.50 C ATOM 577 O ALA A 75 28.818 19.051 -34.987 1.00 29.61 O ATOM 578 CB ALA A 75 29.783 19.028 -38.112 1.00 29.20 C ATOM 0 H ALA A 75 29.705 16.605 -38.278 1.00 23.38 H new ATOM 0 HA ALA A 75 30.630 18.179 -36.446 1.00 24.84 H new ATOM 0 HB1 ALA A 75 29.805 19.939 -37.779 1.00 29.20 H new ATOM 0 HB2 ALA A 75 30.556 18.872 -38.676 1.00 29.20 H new ATOM 0 HB3 ALA A 75 28.973 18.893 -38.629 1.00 29.20 H new ATOM 579 N ASP A 76 27.474 17.804 -36.302 1.00 29.92 N ATOM 580 CA ASP A 76 26.289 17.993 -35.469 1.00 29.09 C ATOM 581 C ASP A 76 26.271 17.035 -34.272 1.00 28.88 C ATOM 582 O ASP A 76 25.226 16.773 -33.680 1.00 32.91 O ATOM 583 CB ASP A 76 25.010 17.863 -36.307 1.00 19.19 C ATOM 584 CG ASP A 76 24.863 16.502 -36.956 1.00 24.22 C ATOM 585 OD1 ASP A 76 25.797 16.060 -37.661 1.00 30.96 O ATOM 586 OD2 ASP A 76 23.795 15.882 -36.774 1.00 29.53 O ATOM 0 H ASP A 76 27.343 17.317 -36.999 1.00 29.92 H new ATOM 0 HA ASP A 76 26.325 18.893 -35.109 1.00 29.09 H new ATOM 0 HB2 ASP A 76 24.240 18.031 -35.741 1.00 19.19 H new ATOM 0 HB3 ASP A 76 25.010 18.546 -36.996 1.00 19.19 H new ATOM 587 N ASP A 77 27.446 16.503 -33.949 1.00 26.93 N ATOM 588 CA ASP A 77 27.653 15.600 -32.822 1.00 33.34 C ATOM 589 C ASP A 77 26.975 14.233 -32.807 1.00 32.61 C ATOM 590 O ASP A 77 26.731 13.662 -31.741 1.00 37.83 O ATOM 591 CB ASP A 77 27.418 16.343 -31.507 1.00 41.74 C ATOM 592 CG ASP A 77 28.347 17.530 -31.345 1.00 51.20 C ATOM 593 OD1 ASP A 77 29.583 17.325 -31.339 1.00 48.62 O ATOM 594 OD2 ASP A 77 27.841 18.670 -31.254 1.00 57.17 O ATOM 0 H ASP A 77 28.165 16.662 -34.393 1.00 26.93 H new ATOM 0 HA ASP A 77 28.579 15.338 -32.944 1.00 33.34 H new ATOM 0 HB2 ASP A 77 26.498 16.647 -31.470 1.00 41.74 H new ATOM 0 HB3 ASP A 77 27.545 15.731 -30.765 1.00 41.74 H new ATOM 595 N ARG A 78 26.681 13.700 -33.985 1.00 26.75 N ATOM 596 CA ARG A 78 26.091 12.373 -34.072 1.00 18.22 C ATOM 597 C ARG A 78 27.256 11.391 -34.081 1.00 23.77 C ATOM 598 O ARG A 78 28.321 11.700 -34.625 1.00 23.32 O ATOM 599 CB ARG A 78 25.313 12.203 -35.375 1.00 16.31 C ATOM 600 CG ARG A 78 23.913 12.774 -35.387 1.00 20.44 C ATOM 601 CD ARG A 78 23.298 12.620 -36.770 1.00 16.43 C ATOM 602 NE ARG A 78 24.023 13.418 -37.757 1.00 22.67 N ATOM 603 CZ ARG A 78 24.545 12.945 -38.885 1.00 25.67 C ATOM 604 NH1 ARG A 78 24.425 11.660 -39.195 1.00 26.25 N ATOM 605 NH2 ARG A 78 25.216 13.757 -39.692 1.00 26.07 N ATOM 0 H ARG A 78 26.814 14.087 -34.741 1.00 26.75 H new ATOM 0 HA ARG A 78 25.480 12.228 -33.333 1.00 18.22 H new ATOM 0 HB2 ARG A 78 25.819 12.618 -36.090 1.00 16.31 H new ATOM 0 HB3 ARG A 78 25.259 11.256 -35.578 1.00 16.31 H new ATOM 0 HG2 ARG A 78 23.365 12.319 -34.729 1.00 20.44 H new ATOM 0 HG3 ARG A 78 23.936 13.711 -35.138 1.00 20.44 H new ATOM 0 HD2 ARG A 78 23.311 11.686 -37.031 1.00 16.43 H new ATOM 0 HD3 ARG A 78 22.368 12.895 -36.747 1.00 16.43 H new ATOM 0 HE ARG A 78 24.119 14.257 -37.596 1.00 22.67 H new ATOM 0 HH11 ARG A 78 24.007 11.127 -38.665 1.00 26.25 H new ATOM 0 HH12 ARG A 78 24.765 11.360 -39.926 1.00 26.25 H new ATOM 0 HH21 ARG A 78 25.312 14.586 -39.485 1.00 26.07 H new ATOM 0 HH22 ARG A 78 25.555 13.454 -40.422 1.00 26.07 H new ATOM 606 N LYS A 79 27.078 10.239 -33.436 1.00 21.67 N ATOM 607 CA LYS A 79 28.112 9.211 -33.430 1.00 23.18 C ATOM 608 C LYS A 79 27.626 8.179 -34.444 1.00 22.58 C ATOM 609 O LYS A 79 26.631 7.488 -34.212 1.00 27.59 O ATOM 610 CB LYS A 79 28.257 8.569 -32.051 1.00 28.03 C ATOM 611 CG LYS A 79 29.456 7.644 -31.954 1.00 29.63 C ATOM 612 CD LYS A 79 29.277 6.593 -30.873 1.00 30.62 C ATOM 613 CE LYS A 79 30.365 5.533 -30.978 1.00 35.44 C ATOM 614 NZ LYS A 79 30.101 4.353 -30.113 1.00 40.98 N ATOM 0 H LYS A 79 26.367 10.035 -32.997 1.00 21.67 H new ATOM 0 HA LYS A 79 28.983 9.577 -33.649 1.00 23.18 H new ATOM 0 HB2 LYS A 79 28.337 9.266 -31.381 1.00 28.03 H new ATOM 0 HB3 LYS A 79 27.451 8.069 -31.845 1.00 28.03 H new ATOM 0 HG2 LYS A 79 29.597 7.207 -32.809 1.00 29.63 H new ATOM 0 HG3 LYS A 79 30.252 8.166 -31.768 1.00 29.63 H new ATOM 0 HD2 LYS A 79 29.308 7.011 -29.998 1.00 30.62 H new ATOM 0 HD3 LYS A 79 28.404 6.179 -30.958 1.00 30.62 H new ATOM 0 HE2 LYS A 79 30.441 5.243 -31.900 1.00 35.44 H new ATOM 0 HE3 LYS A 79 31.218 5.925 -30.733 1.00 35.44 H new ATOM 0 HZ1 LYS A 79 30.481 3.632 -30.470 1.00 40.98 H new ATOM 0 HZ2 LYS A 79 30.441 4.496 -29.303 1.00 40.98 H new ATOM 0 HZ3 LYS A 79 29.223 4.224 -30.047 1.00 40.98 H new ATOM 615 N VAL A 80 28.321 8.089 -35.574 1.00 20.30 N ATOM 616 CA VAL A 80 27.921 7.177 -36.642 1.00 16.49 C ATOM 617 C VAL A 80 28.970 6.163 -37.084 1.00 19.75 C ATOM 618 O VAL A 80 30.142 6.236 -36.700 1.00 21.82 O ATOM 619 CB VAL A 80 27.512 7.970 -37.906 1.00 13.86 C ATOM 620 CG1 VAL A 80 26.427 8.997 -37.577 1.00 12.08 C ATOM 621 CG2 VAL A 80 28.736 8.657 -38.511 1.00 3.25 C ATOM 0 H VAL A 80 29.028 8.548 -35.743 1.00 20.30 H new ATOM 0 HA VAL A 80 27.187 6.681 -36.247 1.00 16.49 H new ATOM 0 HB VAL A 80 27.148 7.349 -38.556 1.00 13.86 H new ATOM 0 HG11 VAL A 80 26.186 9.482 -38.382 1.00 12.08 H new ATOM 0 HG12 VAL A 80 25.645 8.541 -37.228 1.00 12.08 H new ATOM 0 HG13 VAL A 80 26.761 9.620 -36.913 1.00 12.08 H new ATOM 0 HG21 VAL A 80 28.472 9.152 -39.302 1.00 3.25 H new ATOM 0 HG22 VAL A 80 29.119 9.267 -37.862 1.00 3.25 H new ATOM 0 HG23 VAL A 80 29.396 7.988 -38.754 1.00 3.25 H new ATOM 622 N LYS A 81 28.506 5.206 -37.885 1.00 18.86 N ATOM 623 CA LYS A 81 29.345 4.172 -38.480 1.00 18.14 C ATOM 624 C LYS A 81 29.411 4.562 -39.953 1.00 19.28 C ATOM 625 O LYS A 81 28.379 4.663 -40.622 1.00 15.22 O ATOM 626 CB LYS A 81 28.697 2.789 -38.352 1.00 22.34 C ATOM 627 CG LYS A 81 28.900 2.095 -37.019 1.00 27.01 C ATOM 628 CD LYS A 81 30.378 1.930 -36.699 1.00 29.88 C ATOM 629 CE LYS A 81 30.638 0.711 -35.815 1.00 42.09 C ATOM 630 NZ LYS A 81 29.792 0.661 -34.586 1.00 44.96 N ATOM 0 H LYS A 81 27.676 5.140 -38.101 1.00 18.86 H new ATOM 0 HA LYS A 81 30.212 4.115 -38.049 1.00 18.14 H new ATOM 0 HB2 LYS A 81 27.744 2.879 -38.510 1.00 22.34 H new ATOM 0 HB3 LYS A 81 29.048 2.218 -39.053 1.00 22.34 H new ATOM 0 HG2 LYS A 81 28.470 2.608 -36.317 1.00 27.01 H new ATOM 0 HG3 LYS A 81 28.472 1.225 -37.037 1.00 27.01 H new ATOM 0 HD2 LYS A 81 30.879 1.843 -37.525 1.00 29.88 H new ATOM 0 HD3 LYS A 81 30.703 2.728 -36.253 1.00 29.88 H new ATOM 0 HE2 LYS A 81 30.484 -0.093 -36.335 1.00 42.09 H new ATOM 0 HE3 LYS A 81 31.572 0.706 -35.554 1.00 42.09 H new ATOM 0 HZ1 LYS A 81 30.069 -0.002 -34.061 1.00 44.96 H new ATOM 0 HZ2 LYS A 81 29.858 1.433 -34.148 1.00 44.96 H new ATOM 0 HZ3 LYS A 81 28.943 0.522 -34.815 1.00 44.96 H new ATOM 631 N SER A 82 30.614 4.827 -40.444 1.00 7.64 N ATOM 632 CA SER A 82 30.773 5.230 -41.829 1.00 13.14 C ATOM 633 C SER A 82 31.611 4.287 -42.662 1.00 14.84 C ATOM 634 O SER A 82 32.469 3.568 -42.152 1.00 15.36 O ATOM 635 CB SER A 82 31.372 6.636 -41.911 1.00 10.11 C ATOM 636 OG SER A 82 30.414 7.618 -41.561 1.00 23.22 O ATOM 0 H SER A 82 31.345 4.779 -39.994 1.00 7.64 H new ATOM 0 HA SER A 82 29.878 5.212 -42.203 1.00 13.14 H new ATOM 0 HB2 SER A 82 32.137 6.700 -41.318 1.00 10.11 H new ATOM 0 HB3 SER A 82 31.695 6.801 -42.810 1.00 10.11 H new ATOM 0 HG SER A 82 30.807 8.315 -41.305 1.00 23.22 H new ATOM 637 N ILE A 83 31.347 4.310 -43.960 1.00 9.97 N ATOM 638 CA ILE A 83 32.076 3.503 -44.918 1.00 19.49 C ATOM 639 C ILE A 83 32.062 4.261 -46.243 1.00 15.26 C ATOM 640 O ILE A 83 31.006 4.660 -46.740 1.00 16.12 O ATOM 641 CB ILE A 83 31.486 2.080 -45.048 1.00 18.05 C ATOM 642 CG1 ILE A 83 32.328 1.263 -46.027 1.00 17.98 C ATOM 643 CG2 ILE A 83 30.020 2.134 -45.469 1.00 28.62 C ATOM 644 CD1 ILE A 83 32.130 -0.226 -45.888 1.00 38.88 C ATOM 0 H ILE A 83 30.733 4.800 -44.311 1.00 9.97 H new ATOM 0 HA ILE A 83 32.989 3.367 -44.621 1.00 19.49 H new ATOM 0 HB ILE A 83 31.515 1.642 -44.183 1.00 18.05 H new ATOM 0 HG12 ILE A 83 32.107 1.529 -46.933 1.00 17.98 H new ATOM 0 HG13 ILE A 83 33.265 1.472 -45.890 1.00 17.98 H new ATOM 0 HG21 ILE A 83 29.671 1.232 -45.544 1.00 28.62 H new ATOM 0 HG22 ILE A 83 29.510 2.623 -44.804 1.00 28.62 H new ATOM 0 HG23 ILE A 83 29.946 2.581 -46.326 1.00 28.62 H new ATOM 0 HD11 ILE A 83 32.688 -0.688 -46.533 1.00 38.88 H new ATOM 0 HD12 ILE A 83 32.375 -0.503 -44.991 1.00 38.88 H new ATOM 0 HD13 ILE A 83 31.199 -0.445 -46.051 1.00 38.88 H new ATOM 645 N ILE A 84 33.252 4.542 -46.758 1.00 11.36 N ATOM 646 CA ILE A 84 33.381 5.290 -47.993 1.00 9.27 C ATOM 647 C ILE A 84 33.906 4.417 -49.101 1.00 11.06 C ATOM 648 O ILE A 84 34.881 3.694 -48.921 1.00 14.52 O ATOM 649 CB ILE A 84 34.308 6.508 -47.813 1.00 11.89 C ATOM 650 CG1 ILE A 84 33.730 7.436 -46.746 1.00 9.03 C ATOM 651 CG2 ILE A 84 34.471 7.257 -49.132 1.00 10.52 C ATOM 652 CD1 ILE A 84 34.436 8.761 -46.632 1.00 12.96 C ATOM 0 H ILE A 84 33.999 4.306 -46.403 1.00 11.36 H new ATOM 0 HA ILE A 84 32.495 5.604 -48.232 1.00 9.27 H new ATOM 0 HB ILE A 84 35.183 6.199 -47.529 1.00 11.89 H new ATOM 0 HG12 ILE A 84 32.794 7.596 -46.943 1.00 9.03 H new ATOM 0 HG13 ILE A 84 33.766 6.987 -45.887 1.00 9.03 H new ATOM 0 HG21 ILE A 84 35.056 8.019 -49.001 1.00 10.52 H new ATOM 0 HG22 ILE A 84 34.857 6.664 -49.796 1.00 10.52 H new ATOM 0 HG23 ILE A 84 33.604 7.565 -49.439 1.00 10.52 H new ATOM 0 HD11 ILE A 84 34.016 9.293 -45.938 1.00 12.96 H new ATOM 0 HD12 ILE A 84 35.368 8.613 -46.406 1.00 12.96 H new ATOM 0 HD13 ILE A 84 34.380 9.232 -47.478 1.00 12.96 H new ATOM 653 N THR A 85 33.228 4.470 -50.242 1.00 17.41 N ATOM 654 CA THR A 85 33.615 3.692 -51.411 1.00 14.87 C ATOM 655 C THR A 85 33.743 4.584 -52.633 1.00 15.68 C ATOM 656 O THR A 85 33.232 5.702 -52.660 1.00 10.37 O ATOM 657 CB THR A 85 32.581 2.585 -51.737 1.00 13.04 C ATOM 658 OG1 THR A 85 31.285 3.169 -51.914 1.00 19.63 O ATOM 659 CG2 THR A 85 32.524 1.546 -50.626 1.00 14.50 C ATOM 0 H THR A 85 32.530 4.959 -50.360 1.00 17.41 H new ATOM 0 HA THR A 85 34.468 3.283 -51.197 1.00 14.87 H new ATOM 0 HB THR A 85 32.857 2.144 -52.556 1.00 13.04 H new ATOM 0 HG1 THR A 85 30.917 3.268 -51.165 1.00 19.63 H new ATOM 0 HG21 THR A 85 31.871 0.865 -50.853 1.00 14.50 H new ATOM 0 HG22 THR A 85 33.396 1.135 -50.522 1.00 14.50 H new ATOM 0 HG23 THR A 85 32.268 1.975 -49.794 1.00 14.50 H new ATOM 660 N LEU A 86 34.465 4.083 -53.627 1.00 20.30 N ATOM 661 CA LEU A 86 34.663 4.775 -54.889 1.00 10.13 C ATOM 662 C LEU A 86 33.695 4.054 -55.822 1.00 16.75 C ATOM 663 O LEU A 86 34.038 3.046 -56.430 1.00 19.20 O ATOM 664 CB LEU A 86 36.105 4.587 -55.346 1.00 9.95 C ATOM 665 CG LEU A 86 36.637 5.430 -56.499 1.00 16.58 C ATOM 666 CD1 LEU A 86 36.355 6.906 -56.261 1.00 22.31 C ATOM 667 CD2 LEU A 86 38.136 5.186 -56.617 1.00 20.42 C ATOM 0 H LEU A 86 34.859 3.320 -53.585 1.00 20.30 H new ATOM 0 HA LEU A 86 34.507 5.732 -54.851 1.00 10.13 H new ATOM 0 HB2 LEU A 86 36.677 4.747 -54.579 1.00 9.95 H new ATOM 0 HB3 LEU A 86 36.214 3.655 -55.592 1.00 9.95 H new ATOM 0 HG LEU A 86 36.193 5.177 -57.323 1.00 16.58 H new ATOM 0 HD11 LEU A 86 36.700 7.425 -57.004 1.00 22.31 H new ATOM 0 HD12 LEU A 86 35.398 7.045 -56.187 1.00 22.31 H new ATOM 0 HD13 LEU A 86 36.787 7.190 -55.440 1.00 22.31 H new ATOM 0 HD21 LEU A 86 38.494 5.715 -57.347 1.00 20.42 H new ATOM 0 HD22 LEU A 86 38.572 5.442 -55.789 1.00 20.42 H new ATOM 0 HD23 LEU A 86 38.298 4.245 -56.790 1.00 20.42 H new ATOM 668 N ASP A 87 32.455 4.526 -55.838 1.00 24.35 N ATOM 669 CA ASP A 87 31.390 3.939 -56.644 1.00 31.31 C ATOM 670 C ASP A 87 31.048 4.836 -57.835 1.00 36.75 C ATOM 671 O ASP A 87 30.693 6.003 -57.668 1.00 36.42 O ATOM 672 CB ASP A 87 30.151 3.733 -55.758 1.00 34.97 C ATOM 673 CG ASP A 87 29.100 2.829 -56.389 1.00 48.78 C ATOM 674 OD1 ASP A 87 28.922 2.851 -57.626 1.00 56.12 O ATOM 675 OD2 ASP A 87 28.427 2.100 -55.629 1.00 55.24 O ATOM 0 H ASP A 87 32.204 5.206 -55.375 1.00 24.35 H new ATOM 0 HA ASP A 87 31.689 3.085 -56.994 1.00 31.31 H new ATOM 0 HB2 ASP A 87 30.428 3.353 -54.910 1.00 34.97 H new ATOM 0 HB3 ASP A 87 29.752 4.596 -55.565 1.00 34.97 H new ATOM 676 N GLY A 88 31.145 4.271 -59.037 1.00 42.21 N ATOM 677 CA GLY A 88 30.839 5.015 -60.247 1.00 32.94 C ATOM 678 C GLY A 88 31.648 6.285 -60.395 1.00 27.26 C ATOM 679 O GLY A 88 31.118 7.307 -60.825 1.00 34.96 O ATOM 0 H GLY A 88 31.387 3.456 -59.169 1.00 42.21 H new ATOM 0 HA2 GLY A 88 30.999 4.447 -61.017 1.00 32.94 H new ATOM 0 HA3 GLY A 88 29.895 5.239 -60.251 1.00 32.94 H new ATOM 680 N GLY A 89 32.922 6.224 -60.012 1.00 28.41 N ATOM 681 CA GLY A 89 33.801 7.381 -60.099 1.00 30.49 C ATOM 682 C GLY A 89 33.595 8.450 -59.031 1.00 31.18 C ATOM 683 O GLY A 89 34.295 9.470 -59.026 1.00 31.66 O ATOM 0 H GLY A 89 33.296 5.516 -59.698 1.00 28.41 H new ATOM 0 HA2 GLY A 89 34.720 7.073 -60.052 1.00 30.49 H new ATOM 0 HA3 GLY A 89 33.684 7.791 -60.970 1.00 30.49 H new ATOM 684 N ALA A 90 32.645 8.216 -58.125 1.00 27.66 N ATOM 685 CA ALA A 90 32.337 9.159 -57.050 1.00 28.56 C ATOM 686 C ALA A 90 32.603 8.588 -55.658 1.00 22.60 C ATOM 687 O ALA A 90 32.408 7.396 -55.415 1.00 23.10 O ATOM 688 CB ALA A 90 30.884 9.605 -57.153 1.00 21.67 C ATOM 0 H ALA A 90 32.161 7.505 -58.117 1.00 27.66 H new ATOM 0 HA ALA A 90 32.932 9.917 -57.163 1.00 28.56 H new ATOM 0 HB1 ALA A 90 30.686 10.230 -56.438 1.00 21.67 H new ATOM 0 HB2 ALA A 90 30.738 10.037 -58.009 1.00 21.67 H new ATOM 0 HB3 ALA A 90 30.302 8.833 -57.077 1.00 21.67 H new ATOM 689 N LEU A 91 33.066 9.448 -54.754 1.00 23.88 N ATOM 690 CA LEU A 91 33.339 9.063 -53.367 1.00 16.97 C ATOM 691 C LEU A 91 31.982 8.985 -52.684 1.00 13.33 C ATOM 692 O LEU A 91 31.346 10.007 -52.444 1.00 21.19 O ATOM 693 CB LEU A 91 34.195 10.131 -52.685 1.00 13.53 C ATOM 694 CG LEU A 91 35.562 9.733 -52.131 1.00 20.49 C ATOM 695 CD1 LEU A 91 36.370 8.967 -53.159 1.00 17.27 C ATOM 696 CD2 LEU A 91 36.300 10.985 -51.701 1.00 21.88 C ATOM 0 H LEU A 91 33.232 10.274 -54.926 1.00 23.88 H new ATOM 0 HA LEU A 91 33.819 8.221 -53.319 1.00 16.97 H new ATOM 0 HB2 LEU A 91 34.334 10.848 -53.323 1.00 13.53 H new ATOM 0 HB3 LEU A 91 33.677 10.500 -51.952 1.00 13.53 H new ATOM 0 HG LEU A 91 35.436 9.148 -51.368 1.00 20.49 H new ATOM 0 HD11 LEU A 91 37.231 8.728 -52.781 1.00 17.27 H new ATOM 0 HD12 LEU A 91 35.893 8.161 -53.411 1.00 17.27 H new ATOM 0 HD13 LEU A 91 36.504 9.521 -53.944 1.00 17.27 H new ATOM 0 HD21 LEU A 91 37.170 10.743 -51.347 1.00 21.88 H new ATOM 0 HD22 LEU A 91 36.414 11.572 -52.465 1.00 21.88 H new ATOM 0 HD23 LEU A 91 35.789 11.443 -51.015 1.00 21.88 H new ATOM 697 N VAL A 92 31.518 7.771 -52.416 1.00 12.34 N ATOM 698 CA VAL A 92 30.217 7.582 -51.788 1.00 17.67 C ATOM 699 C VAL A 92 30.325 7.127 -50.336 1.00 22.64 C ATOM 700 O VAL A 92 30.728 5.997 -50.040 1.00 16.83 O ATOM 701 CB VAL A 92 29.346 6.584 -52.591 1.00 20.41 C ATOM 702 CG1 VAL A 92 27.983 6.446 -51.952 1.00 14.94 C ATOM 703 CG2 VAL A 92 29.215 7.044 -54.034 1.00 14.21 C ATOM 0 H VAL A 92 31.941 7.043 -52.590 1.00 12.34 H new ATOM 0 HA VAL A 92 29.787 8.452 -51.791 1.00 17.67 H new ATOM 0 HB VAL A 92 29.778 5.716 -52.583 1.00 20.41 H new ATOM 0 HG11 VAL A 92 27.448 5.819 -52.463 1.00 14.94 H new ATOM 0 HG12 VAL A 92 28.083 6.120 -51.044 1.00 14.94 H new ATOM 0 HG13 VAL A 92 27.543 7.310 -51.938 1.00 14.94 H new ATOM 0 HG21 VAL A 92 28.668 6.412 -54.527 1.00 14.21 H new ATOM 0 HG22 VAL A 92 28.798 7.920 -54.058 1.00 14.21 H new ATOM 0 HG23 VAL A 92 30.095 7.094 -54.439 1.00 14.21 H new ATOM 704 N GLN A 93 29.928 8.021 -49.440 1.00 24.05 N ATOM 705 CA GLN A 93 29.961 7.764 -48.013 1.00 12.38 C ATOM 706 C GLN A 93 28.575 7.554 -47.451 1.00 11.95 C ATOM 707 O GLN A 93 27.678 8.350 -47.689 1.00 12.05 O ATOM 708 CB GLN A 93 30.600 8.946 -47.293 1.00 12.71 C ATOM 709 CG GLN A 93 30.484 8.888 -45.783 1.00 12.73 C ATOM 710 CD GLN A 93 31.043 10.115 -45.109 1.00 14.93 C ATOM 711 OE1 GLN A 93 31.354 11.116 -45.761 1.00 18.26 O ATOM 712 NE2 GLN A 93 31.172 10.049 -43.792 1.00 16.08 N ATOM 0 H GLN A 93 29.630 8.800 -49.648 1.00 24.05 H new ATOM 0 HA GLN A 93 30.479 6.956 -47.874 1.00 12.38 H new ATOM 0 HB2 GLN A 93 31.539 8.990 -47.534 1.00 12.71 H new ATOM 0 HB3 GLN A 93 30.188 9.765 -47.608 1.00 12.71 H new ATOM 0 HG2 GLN A 93 29.551 8.786 -45.538 1.00 12.73 H new ATOM 0 HG3 GLN A 93 30.951 8.103 -45.456 1.00 12.73 H new ATOM 0 HE21 GLN A 93 30.944 9.333 -43.373 1.00 16.08 H new ATOM 0 HE22 GLN A 93 31.484 10.722 -43.356 1.00 16.08 H new ATOM 713 N VAL A 94 28.404 6.477 -46.698 1.00 16.84 N ATOM 714 CA VAL A 94 27.124 6.207 -46.065 1.00 20.95 C ATOM 715 C VAL A 94 27.317 6.148 -44.542 1.00 23.52 C ATOM 716 O VAL A 94 28.245 5.500 -44.045 1.00 15.49 O ATOM 717 CB VAL A 94 26.428 4.937 -46.655 1.00 21.99 C ATOM 718 CG1 VAL A 94 27.438 4.034 -47.334 1.00 25.83 C ATOM 719 CG2 VAL A 94 25.650 4.188 -45.580 1.00 19.59 C ATOM 0 H VAL A 94 29.015 5.892 -46.542 1.00 16.84 H new ATOM 0 HA VAL A 94 26.511 6.933 -46.260 1.00 20.95 H new ATOM 0 HB VAL A 94 25.792 5.228 -47.327 1.00 21.99 H new ATOM 0 HG11 VAL A 94 26.986 3.254 -47.692 1.00 25.83 H new ATOM 0 HG12 VAL A 94 27.870 4.517 -48.056 1.00 25.83 H new ATOM 0 HG13 VAL A 94 28.106 3.752 -46.689 1.00 25.83 H new ATOM 0 HG21 VAL A 94 25.229 3.406 -45.971 1.00 19.59 H new ATOM 0 HG22 VAL A 94 26.256 3.910 -44.876 1.00 19.59 H new ATOM 0 HG23 VAL A 94 24.969 4.770 -45.208 1.00 19.59 H new ATOM 720 N GLN A 95 26.500 6.928 -43.831 1.00 21.41 N ATOM 721 CA GLN A 95 26.535 7.019 -42.368 1.00 14.13 C ATOM 722 C GLN A 95 25.342 6.324 -41.736 1.00 16.87 C ATOM 723 O GLN A 95 24.199 6.709 -41.970 1.00 20.59 O ATOM 724 CB GLN A 95 26.532 8.482 -41.914 1.00 6.66 C ATOM 725 CG GLN A 95 27.768 9.267 -42.303 1.00 9.59 C ATOM 726 CD GLN A 95 27.691 10.727 -41.895 1.00 9.83 C ATOM 727 OE1 GLN A 95 26.605 11.298 -41.783 1.00 16.65 O ATOM 728 NE2 GLN A 95 28.848 11.339 -41.670 1.00 20.66 N ATOM 0 H GLN A 95 25.900 7.428 -44.191 1.00 21.41 H new ATOM 0 HA GLN A 95 27.352 6.581 -42.081 1.00 14.13 H new ATOM 0 HB2 GLN A 95 25.753 8.923 -42.288 1.00 6.66 H new ATOM 0 HB3 GLN A 95 26.437 8.508 -40.949 1.00 6.66 H new ATOM 0 HG2 GLN A 95 28.547 8.861 -41.891 1.00 9.59 H new ATOM 0 HG3 GLN A 95 27.893 9.210 -43.263 1.00 9.59 H new ATOM 0 HE21 GLN A 95 29.587 10.908 -41.758 1.00 20.66 H new ATOM 0 HE22 GLN A 95 28.858 12.166 -41.436 1.00 20.66 H new ATOM 729 N LYS A 96 25.626 5.330 -40.901 1.00 20.51 N ATOM 730 CA LYS A 96 24.596 4.565 -40.209 1.00 19.47 C ATOM 731 C LYS A 96 24.637 4.875 -38.713 1.00 17.07 C ATOM 732 O LYS A 96 25.706 4.891 -38.106 1.00 20.01 O ATOM 733 CB LYS A 96 24.821 3.063 -40.420 1.00 22.78 C ATOM 734 CG LYS A 96 24.880 2.622 -41.876 1.00 24.40 C ATOM 735 CD LYS A 96 25.124 1.117 -42.003 1.00 38.79 C ATOM 736 CE LYS A 96 26.489 0.684 -41.448 1.00 47.08 C ATOM 737 NZ LYS A 96 27.661 1.203 -42.223 1.00 47.76 N ATOM 0 H LYS A 96 26.428 5.079 -40.719 1.00 20.51 H new ATOM 0 HA LYS A 96 23.730 4.813 -40.570 1.00 19.47 H new ATOM 0 HB2 LYS A 96 25.650 2.809 -39.985 1.00 22.78 H new ATOM 0 HB3 LYS A 96 24.108 2.577 -39.977 1.00 22.78 H new ATOM 0 HG2 LYS A 96 24.048 2.854 -42.318 1.00 24.40 H new ATOM 0 HG3 LYS A 96 25.587 3.104 -42.332 1.00 24.40 H new ATOM 0 HD2 LYS A 96 24.423 0.639 -41.533 1.00 38.79 H new ATOM 0 HD3 LYS A 96 25.064 0.862 -42.937 1.00 38.79 H new ATOM 0 HE2 LYS A 96 26.563 0.985 -40.529 1.00 47.08 H new ATOM 0 HE3 LYS A 96 26.528 -0.285 -41.433 1.00 47.08 H new ATOM 0 HZ1 LYS A 96 28.416 0.916 -41.849 1.00 47.76 H new ATOM 0 HZ2 LYS A 96 27.616 0.909 -43.062 1.00 47.76 H new ATOM 0 HZ3 LYS A 96 27.649 2.093 -42.220 1.00 47.76 H new ATOM 738 N TRP A 97 23.471 5.135 -38.129 1.00 22.49 N ATOM 739 CA TRP A 97 23.359 5.425 -36.700 1.00 24.27 C ATOM 740 C TRP A 97 21.905 5.291 -36.258 1.00 28.68 C ATOM 741 O TRP A 97 20.999 5.696 -36.982 1.00 34.66 O ATOM 742 CB TRP A 97 23.882 6.833 -36.378 1.00 23.29 C ATOM 743 CG TRP A 97 22.918 7.955 -36.652 1.00 24.47 C ATOM 744 CD1 TRP A 97 22.226 8.677 -35.726 1.00 27.48 C ATOM 745 CD2 TRP A 97 22.543 8.482 -37.932 1.00 28.40 C ATOM 746 NE1 TRP A 97 21.441 9.619 -36.343 1.00 29.27 N ATOM 747 CE2 TRP A 97 21.617 9.523 -37.698 1.00 28.05 C ATOM 748 CE3 TRP A 97 22.897 8.179 -39.252 1.00 26.34 C ATOM 749 CZ2 TRP A 97 21.041 10.261 -38.734 1.00 29.42 C ATOM 750 CZ3 TRP A 97 22.324 8.913 -40.282 1.00 28.38 C ATOM 751 CH2 TRP A 97 21.406 9.942 -40.016 1.00 29.64 C ATOM 0 H TRP A 97 22.721 5.149 -38.550 1.00 22.49 H new ATOM 0 HA TRP A 97 23.903 4.785 -36.215 1.00 24.27 H new ATOM 0 HB2 TRP A 97 24.132 6.863 -35.441 1.00 23.29 H new ATOM 0 HB3 TRP A 97 24.690 6.987 -36.892 1.00 23.29 H new ATOM 0 HD1 TRP A 97 22.278 8.549 -34.806 1.00 27.48 H new ATOM 0 HE1 TRP A 97 20.923 10.178 -35.944 1.00 29.27 H new ATOM 0 HE3 TRP A 97 23.504 7.499 -39.436 1.00 26.34 H new ATOM 0 HZ2 TRP A 97 20.433 10.943 -38.561 1.00 29.42 H new ATOM 0 HZ3 TRP A 97 22.552 8.720 -41.163 1.00 28.38 H new ATOM 0 HH2 TRP A 97 21.038 10.417 -40.725 1.00 29.64 H new ATOM 752 N ASP A 98 21.694 4.680 -35.096 1.00 31.50 N ATOM 753 CA ASP A 98 20.359 4.486 -34.523 1.00 40.21 C ATOM 754 C ASP A 98 19.289 4.011 -35.511 1.00 42.60 C ATOM 755 O ASP A 98 18.168 4.530 -35.516 1.00 44.32 O ATOM 756 CB ASP A 98 19.889 5.775 -33.836 1.00 49.26 C ATOM 757 CG ASP A 98 20.838 6.237 -32.747 1.00 59.87 C ATOM 758 OD1 ASP A 98 21.260 5.395 -31.923 1.00 60.96 O ATOM 759 OD2 ASP A 98 21.159 7.445 -32.716 1.00 63.08 O ATOM 0 H ASP A 98 22.328 4.362 -34.610 1.00 31.50 H new ATOM 0 HA ASP A 98 20.461 3.765 -33.883 1.00 40.21 H new ATOM 0 HB2 ASP A 98 19.798 6.476 -34.500 1.00 49.26 H new ATOM 0 HB3 ASP A 98 19.009 5.631 -33.454 1.00 49.26 H new ATOM 760 N GLY A 99 19.639 3.036 -36.347 1.00 44.98 N ATOM 761 CA GLY A 99 18.692 2.518 -37.322 1.00 41.19 C ATOM 762 C GLY A 99 18.470 3.418 -38.529 1.00 40.13 C ATOM 763 O GLY A 99 17.871 2.996 -39.517 1.00 43.36 O ATOM 0 H GLY A 99 20.415 2.665 -36.364 1.00 44.98 H new ATOM 0 HA2 GLY A 99 19.004 1.653 -37.631 1.00 41.19 H new ATOM 0 HA3 GLY A 99 17.840 2.371 -36.882 1.00 41.19 H new ATOM 764 N LYS A 100 18.920 4.668 -38.436 1.00 37.04 N ATOM 765 CA LYS A 100 18.789 5.631 -39.527 1.00 34.15 C ATOM 766 C LYS A 100 19.983 5.527 -40.479 1.00 32.83 C ATOM 767 O LYS A 100 20.983 4.880 -40.167 1.00 29.68 O ATOM 768 CB LYS A 100 18.651 7.049 -38.967 1.00 34.86 C ATOM 769 CG LYS A 100 17.283 7.319 -38.358 1.00 44.93 C ATOM 770 CD LYS A 100 17.230 8.636 -37.601 1.00 51.73 C ATOM 771 CE LYS A 100 17.947 8.534 -36.266 1.00 55.31 C ATOM 772 NZ LYS A 100 17.823 9.793 -35.480 1.00 61.56 N ATOM 0 H LYS A 100 19.311 4.982 -37.737 1.00 37.04 H new ATOM 0 HA LYS A 100 17.987 5.426 -40.032 1.00 34.15 H new ATOM 0 HB2 LYS A 100 19.333 7.193 -38.293 1.00 34.86 H new ATOM 0 HB3 LYS A 100 18.815 7.689 -39.677 1.00 34.86 H new ATOM 0 HG2 LYS A 100 16.615 7.327 -39.062 1.00 44.93 H new ATOM 0 HG3 LYS A 100 17.052 6.594 -37.756 1.00 44.93 H new ATOM 0 HD2 LYS A 100 17.636 9.336 -38.136 1.00 51.73 H new ATOM 0 HD3 LYS A 100 16.305 8.891 -37.455 1.00 51.73 H new ATOM 0 HE2 LYS A 100 17.579 7.796 -35.756 1.00 55.31 H new ATOM 0 HE3 LYS A 100 18.885 8.336 -36.416 1.00 55.31 H new ATOM 0 HZ1 LYS A 100 18.252 9.703 -34.705 1.00 61.56 H new ATOM 0 HZ2 LYS A 100 18.180 10.467 -35.940 1.00 61.56 H new ATOM 0 HZ3 LYS A 100 16.963 9.963 -35.325 1.00 61.56 H new ATOM 773 N SER A 101 19.884 6.167 -41.638 1.00 35.86 N ATOM 774 CA SER A 101 20.957 6.095 -42.620 1.00 30.88 C ATOM 775 C SER A 101 20.965 7.242 -43.621 1.00 31.95 C ATOM 776 O SER A 101 19.964 7.506 -44.283 1.00 37.76 O ATOM 777 CB SER A 101 20.858 4.770 -43.378 1.00 30.08 C ATOM 778 OG SER A 101 21.817 4.698 -44.416 1.00 46.39 O ATOM 0 H SER A 101 19.209 6.645 -41.874 1.00 35.86 H new ATOM 0 HA SER A 101 21.786 6.161 -42.121 1.00 30.88 H new ATOM 0 HB2 SER A 101 20.989 4.032 -42.762 1.00 30.08 H new ATOM 0 HB3 SER A 101 19.968 4.674 -43.750 1.00 30.08 H new ATOM 0 HG SER A 101 21.743 3.963 -44.815 1.00 46.39 H new ATOM 779 N THR A 102 22.108 7.908 -43.740 1.00 25.57 N ATOM 780 CA THR A 102 22.262 9.003 -44.687 1.00 26.47 C ATOM 781 C THR A 102 23.440 8.686 -45.598 1.00 26.76 C ATOM 782 O THR A 102 24.364 7.979 -45.194 1.00 21.24 O ATOM 783 CB THR A 102 22.517 10.361 -43.984 1.00 21.62 C ATOM 784 OG1 THR A 102 22.539 11.405 -44.965 1.00 25.55 O ATOM 785 CG2 THR A 102 23.846 10.359 -43.244 1.00 19.15 C ATOM 0 H THR A 102 22.812 7.738 -43.276 1.00 25.57 H new ATOM 0 HA THR A 102 21.436 9.087 -45.189 1.00 26.47 H new ATOM 0 HB THR A 102 21.804 10.507 -43.343 1.00 21.62 H new ATOM 0 HG1 THR A 102 21.994 11.225 -45.579 1.00 25.55 H new ATOM 0 HG21 THR A 102 23.979 11.219 -42.815 1.00 19.15 H new ATOM 0 HG22 THR A 102 23.841 9.660 -42.572 1.00 19.15 H new ATOM 0 HG23 THR A 102 24.567 10.197 -43.873 1.00 19.15 H new ATOM 786 N THR A 103 23.391 9.183 -46.831 1.00 25.56 N ATOM 787 CA THR A 103 24.468 8.955 -47.792 1.00 23.46 C ATOM 788 C THR A 103 24.971 10.300 -48.302 1.00 19.23 C ATOM 789 O THR A 103 24.187 11.211 -48.568 1.00 21.76 O ATOM 790 CB THR A 103 24.012 8.089 -48.988 1.00 24.48 C ATOM 791 OG1 THR A 103 23.306 8.902 -49.932 1.00 44.09 O ATOM 792 CG2 THR A 103 23.090 6.970 -48.519 1.00 22.66 C ATOM 0 H THR A 103 22.740 9.657 -47.132 1.00 25.56 H new ATOM 0 HA THR A 103 25.176 8.473 -47.337 1.00 23.46 H new ATOM 0 HB THR A 103 24.799 7.703 -49.402 1.00 24.48 H new ATOM 0 HG1 THR A 103 23.061 8.429 -50.581 1.00 44.09 H new ATOM 0 HG21 THR A 103 22.814 6.437 -49.281 1.00 22.66 H new ATOM 0 HG22 THR A 103 23.561 6.407 -47.885 1.00 22.66 H new ATOM 0 HG23 THR A 103 22.308 7.353 -48.092 1.00 22.66 H new ATOM 793 N ILE A 104 26.285 10.415 -48.430 1.00 18.45 N ATOM 794 CA ILE A 104 26.913 11.643 -48.883 1.00 14.73 C ATOM 795 C ILE A 104 27.770 11.365 -50.107 1.00 23.87 C ATOM 796 O ILE A 104 28.801 10.702 -50.019 1.00 27.26 O ATOM 797 CB ILE A 104 27.778 12.229 -47.768 1.00 16.00 C ATOM 798 CG1 ILE A 104 26.904 12.488 -46.535 1.00 14.74 C ATOM 799 CG2 ILE A 104 28.484 13.489 -48.250 1.00 5.55 C ATOM 800 CD1 ILE A 104 27.662 12.525 -45.257 1.00 11.32 C ATOM 0 H ILE A 104 26.838 9.780 -48.256 1.00 18.45 H new ATOM 0 HA ILE A 104 26.222 12.282 -49.117 1.00 14.73 H new ATOM 0 HB ILE A 104 28.471 11.598 -47.519 1.00 16.00 H new ATOM 0 HG12 ILE A 104 26.440 13.332 -46.650 1.00 14.74 H new ATOM 0 HG13 ILE A 104 26.226 11.797 -46.479 1.00 14.74 H new ATOM 0 HG21 ILE A 104 29.029 13.849 -47.533 1.00 5.55 H new ATOM 0 HG22 ILE A 104 29.050 13.273 -49.008 1.00 5.55 H new ATOM 0 HG23 ILE A 104 27.824 14.148 -48.517 1.00 5.55 H new ATOM 0 HD11 ILE A 104 27.051 12.692 -44.523 1.00 11.32 H new ATOM 0 HD12 ILE A 104 28.107 11.674 -45.120 1.00 11.32 H new ATOM 0 HD13 ILE A 104 28.324 13.233 -45.293 1.00 11.32 H new ATOM 801 N LYS A 105 27.337 11.879 -51.253 1.00 31.10 N ATOM 802 CA LYS A 105 28.061 11.674 -52.501 1.00 30.66 C ATOM 803 C LYS A 105 28.953 12.857 -52.865 1.00 22.41 C ATOM 804 O LYS A 105 28.551 14.011 -52.755 1.00 21.18 O ATOM 805 CB LYS A 105 27.067 11.395 -53.633 1.00 32.68 C ATOM 806 CG LYS A 105 27.685 10.765 -54.868 1.00 44.72 C ATOM 807 CD LYS A 105 26.633 10.386 -55.913 1.00 51.06 C ATOM 808 CE LYS A 105 25.661 9.309 -55.417 1.00 54.07 C ATOM 809 NZ LYS A 105 24.661 9.806 -54.422 1.00 55.85 N ATOM 0 H LYS A 105 26.623 12.352 -51.329 1.00 31.10 H new ATOM 0 HA LYS A 105 28.645 10.910 -52.375 1.00 30.66 H new ATOM 0 HB2 LYS A 105 26.369 10.810 -53.299 1.00 32.68 H new ATOM 0 HB3 LYS A 105 26.641 12.228 -53.887 1.00 32.68 H new ATOM 0 HG2 LYS A 105 28.320 11.384 -55.261 1.00 44.72 H new ATOM 0 HG3 LYS A 105 28.182 9.973 -54.610 1.00 44.72 H new ATOM 0 HD2 LYS A 105 26.131 11.178 -56.162 1.00 51.06 H new ATOM 0 HD3 LYS A 105 27.079 10.069 -56.714 1.00 51.06 H new ATOM 0 HE2 LYS A 105 25.189 8.937 -56.178 1.00 54.07 H new ATOM 0 HE3 LYS A 105 26.170 8.586 -55.017 1.00 54.07 H new ATOM 0 HZ1 LYS A 105 23.846 9.543 -54.663 1.00 55.85 H new ATOM 0 HZ2 LYS A 105 24.853 9.476 -53.618 1.00 55.85 H new ATOM 0 HZ3 LYS A 105 24.689 10.695 -54.392 1.00 55.85 H new ATOM 810 N ARG A 106 30.191 12.554 -53.236 1.00 15.13 N ATOM 811 CA ARG A 106 31.153 13.570 -53.645 1.00 12.83 C ATOM 812 C ARG A 106 31.613 13.182 -55.046 1.00 19.46 C ATOM 813 O ARG A 106 32.296 12.175 -55.237 1.00 21.54 O ATOM 814 CB ARG A 106 32.337 13.635 -52.675 1.00 15.06 C ATOM 815 CG ARG A 106 31.947 14.068 -51.268 1.00 18.64 C ATOM 816 CD ARG A 106 33.159 14.217 -50.360 1.00 20.84 C ATOM 817 NE ARG A 106 32.779 14.598 -48.998 1.00 25.61 N ATOM 818 CZ ARG A 106 32.405 13.740 -48.050 1.00 25.92 C ATOM 819 NH1 ARG A 106 32.359 12.439 -48.293 1.00 24.42 N ATOM 820 NH2 ARG A 106 32.059 14.185 -46.858 1.00 27.20 N ATOM 0 H ARG A 106 30.498 11.751 -53.258 1.00 15.13 H new ATOM 0 HA ARG A 106 30.750 14.453 -53.640 1.00 12.83 H new ATOM 0 HB2 ARG A 106 32.759 12.763 -52.632 1.00 15.06 H new ATOM 0 HB3 ARG A 106 32.998 14.253 -53.024 1.00 15.06 H new ATOM 0 HG2 ARG A 106 31.470 14.912 -51.311 1.00 18.64 H new ATOM 0 HG3 ARG A 106 31.337 13.417 -50.888 1.00 18.64 H new ATOM 0 HD2 ARG A 106 33.649 13.380 -50.336 1.00 20.84 H new ATOM 0 HD3 ARG A 106 33.757 14.886 -50.727 1.00 20.84 H new ATOM 0 HE ARG A 106 32.799 15.434 -48.796 1.00 25.61 H new ATOM 0 HH11 ARG A 106 32.572 12.139 -49.070 1.00 24.42 H new ATOM 0 HH12 ARG A 106 32.116 11.894 -47.674 1.00 24.42 H new ATOM 0 HH21 ARG A 106 32.075 15.029 -46.693 1.00 27.20 H new ATOM 0 HH22 ARG A 106 31.817 13.631 -46.246 1.00 27.20 H new ATOM 821 N LYS A 107 31.206 13.978 -56.027 1.00 25.01 N ATOM 822 CA LYS A 107 31.539 13.711 -57.415 1.00 31.47 C ATOM 823 C LYS A 107 32.115 14.913 -58.140 1.00 29.95 C ATOM 824 O LYS A 107 31.838 16.061 -57.790 1.00 26.72 O ATOM 825 CB LYS A 107 30.294 13.217 -58.155 1.00 30.93 C ATOM 826 CG LYS A 107 29.113 14.165 -58.072 1.00 43.67 C ATOM 827 CD LYS A 107 27.839 13.523 -58.595 1.00 53.36 C ATOM 828 CE LYS A 107 26.658 14.479 -58.495 1.00 58.58 C ATOM 829 NZ LYS A 107 25.390 13.855 -58.967 1.00 62.40 N ATOM 0 H LYS A 107 30.731 14.685 -55.906 1.00 25.01 H new ATOM 0 HA LYS A 107 32.230 13.030 -57.409 1.00 31.47 H new ATOM 0 HB2 LYS A 107 30.518 13.075 -59.088 1.00 30.93 H new ATOM 0 HB3 LYS A 107 30.033 12.356 -57.792 1.00 30.93 H new ATOM 0 HG2 LYS A 107 28.983 14.440 -57.151 1.00 43.67 H new ATOM 0 HG3 LYS A 107 29.305 14.967 -58.583 1.00 43.67 H new ATOM 0 HD2 LYS A 107 27.964 13.256 -59.519 1.00 53.36 H new ATOM 0 HD3 LYS A 107 27.649 12.717 -58.090 1.00 53.36 H new ATOM 0 HE2 LYS A 107 26.553 14.766 -57.574 1.00 58.58 H new ATOM 0 HE3 LYS A 107 26.841 15.273 -59.020 1.00 58.58 H new ATOM 0 HZ1 LYS A 107 24.870 14.478 -59.331 1.00 62.40 H new ATOM 0 HZ2 LYS A 107 25.574 13.231 -59.574 1.00 62.40 H new ATOM 0 HZ3 LYS A 107 24.968 13.483 -58.278 1.00 62.40 H new ATOM 830 N ARG A 108 32.952 14.634 -59.133 1.00 31.87 N ATOM 831 CA ARG A 108 33.558 15.681 -59.938 1.00 30.99 C ATOM 832 C ARG A 108 32.693 15.926 -61.164 1.00 30.08 C ATOM 833 O ARG A 108 32.218 14.982 -61.797 1.00 30.75 O ATOM 834 CB ARG A 108 34.973 15.295 -60.362 1.00 23.78 C ATOM 835 CG ARG A 108 35.998 15.399 -59.248 1.00 32.23 C ATOM 836 CD ARG A 108 36.024 16.801 -58.649 1.00 23.69 C ATOM 837 NE ARG A 108 36.263 17.838 -59.655 1.00 27.85 N ATOM 838 CZ ARG A 108 37.455 18.138 -60.165 1.00 27.83 C ATOM 839 NH1 ARG A 108 38.536 17.480 -59.773 1.00 29.39 N ATOM 840 NH2 ARG A 108 37.574 19.125 -61.043 1.00 34.46 N ATOM 0 H ARG A 108 33.182 13.836 -59.357 1.00 31.87 H new ATOM 0 HA ARG A 108 33.617 16.492 -59.409 1.00 30.99 H new ATOM 0 HB2 ARG A 108 34.964 14.385 -60.697 1.00 23.78 H new ATOM 0 HB3 ARG A 108 35.248 15.865 -61.097 1.00 23.78 H new ATOM 0 HG2 ARG A 108 35.792 14.752 -58.555 1.00 32.23 H new ATOM 0 HG3 ARG A 108 36.877 15.176 -59.592 1.00 32.23 H new ATOM 0 HD2 ARG A 108 35.180 16.975 -58.204 1.00 23.69 H new ATOM 0 HD3 ARG A 108 36.716 16.847 -57.971 1.00 23.69 H new ATOM 0 HE ARG A 108 35.584 18.285 -59.936 1.00 27.85 H new ATOM 0 HH11 ARG A 108 38.470 16.855 -59.186 1.00 29.39 H new ATOM 0 HH12 ARG A 108 39.304 17.678 -60.106 1.00 29.39 H new ATOM 0 HH21 ARG A 108 36.880 19.572 -61.284 1.00 34.46 H new ATOM 0 HH22 ARG A 108 38.345 19.318 -61.372 1.00 34.46 H new ATOM 841 N ASP A 109 32.443 17.198 -61.449 1.00 27.57 N ATOM 842 CA ASP A 109 31.644 17.602 -62.597 1.00 31.77 C ATOM 843 C ASP A 109 32.359 18.805 -63.184 1.00 33.51 C ATOM 844 O ASP A 109 32.082 19.949 -62.820 1.00 44.85 O ATOM 845 CB ASP A 109 30.222 17.975 -62.161 1.00 35.68 C ATOM 846 CG ASP A 109 29.299 18.255 -63.341 1.00 43.89 C ATOM 847 OD1 ASP A 109 29.355 17.514 -64.347 1.00 51.13 O ATOM 848 OD2 ASP A 109 28.508 19.217 -63.258 1.00 42.36 O ATOM 0 H ASP A 109 32.735 17.856 -60.978 1.00 27.57 H new ATOM 0 HA ASP A 109 31.557 16.886 -63.245 1.00 31.77 H new ATOM 0 HB2 ASP A 109 29.851 17.253 -61.629 1.00 35.68 H new ATOM 0 HB3 ASP A 109 30.258 18.759 -61.590 1.00 35.68 H new ATOM 849 N GLY A 110 33.312 18.533 -64.069 1.00 29.02 N ATOM 850 CA GLY A 110 34.080 19.603 -64.672 1.00 34.86 C ATOM 851 C GLY A 110 35.089 20.099 -63.659 1.00 39.32 C ATOM 852 O GLY A 110 35.819 19.302 -63.066 1.00 43.44 O ATOM 0 H GLY A 110 33.525 17.741 -64.329 1.00 29.02 H new ATOM 0 HA2 GLY A 110 34.531 19.286 -65.470 1.00 34.86 H new ATOM 0 HA3 GLY A 110 33.494 20.326 -64.946 1.00 34.86 H new ATOM 853 N ASP A 111 35.117 21.409 -63.441 1.00 36.84 N ATOM 854 CA ASP A 111 36.040 22.012 -62.482 1.00 40.24 C ATOM 855 C ASP A 111 35.404 22.181 -61.093 1.00 33.35 C ATOM 856 O ASP A 111 35.987 22.802 -60.201 1.00 27.17 O ATOM 857 CB ASP A 111 36.548 23.360 -63.016 1.00 45.71 C ATOM 858 CG ASP A 111 35.422 24.350 -63.308 1.00 49.90 C ATOM 859 OD1 ASP A 111 34.321 23.923 -63.727 1.00 50.07 O ATOM 860 OD2 ASP A 111 35.646 25.567 -63.123 1.00 50.43 O ATOM 0 H ASP A 111 34.605 21.972 -63.842 1.00 36.84 H new ATOM 0 HA ASP A 111 36.791 21.408 -62.377 1.00 40.24 H new ATOM 0 HB2 ASP A 111 37.155 23.751 -62.368 1.00 45.71 H new ATOM 0 HB3 ASP A 111 37.058 23.209 -63.827 1.00 45.71 H new ATOM 861 N LYS A 112 34.225 21.588 -60.914 1.00 29.18 N ATOM 862 CA LYS A 112 33.482 21.658 -59.658 1.00 31.44 C ATOM 863 C LYS A 112 33.497 20.335 -58.869 1.00 31.85 C ATOM 864 O LYS A 112 33.798 19.269 -59.416 1.00 27.60 O ATOM 865 CB LYS A 112 32.019 22.031 -59.944 1.00 28.94 C ATOM 866 CG LYS A 112 31.804 23.275 -60.795 1.00 30.39 C ATOM 867 CD LYS A 112 32.222 24.539 -60.061 1.00 42.13 C ATOM 868 CE LYS A 112 31.873 25.790 -60.858 1.00 45.39 C ATOM 869 NZ LYS A 112 32.596 25.856 -62.157 1.00 47.82 N ATOM 0 H LYS A 112 33.830 21.129 -61.525 1.00 29.18 H new ATOM 0 HA LYS A 112 33.922 22.332 -59.117 1.00 31.44 H new ATOM 0 HB2 LYS A 112 31.592 21.280 -60.386 1.00 28.94 H new ATOM 0 HB3 LYS A 112 31.564 22.157 -59.097 1.00 28.94 H new ATOM 0 HG2 LYS A 112 32.311 23.196 -61.618 1.00 30.39 H new ATOM 0 HG3 LYS A 112 30.869 23.339 -61.044 1.00 30.39 H new ATOM 0 HD2 LYS A 112 31.784 24.572 -59.196 1.00 42.13 H new ATOM 0 HD3 LYS A 112 33.177 24.517 -59.894 1.00 42.13 H new ATOM 0 HE2 LYS A 112 30.917 25.810 -61.022 1.00 45.39 H new ATOM 0 HE3 LYS A 112 32.087 26.576 -60.331 1.00 45.39 H new ATOM 0 HZ1 LYS A 112 33.141 26.559 -62.158 1.00 47.82 H new ATOM 0 HZ2 LYS A 112 33.072 25.112 -62.270 1.00 47.82 H new ATOM 0 HZ3 LYS A 112 32.008 25.936 -62.820 1.00 47.82 H new ATOM 870 N LEU A 113 33.187 20.426 -57.575 1.00 29.05 N ATOM 871 CA LEU A 113 33.093 19.266 -56.683 1.00 19.18 C ATOM 872 C LEU A 113 31.666 19.310 -56.129 1.00 16.60 C ATOM 873 O LEU A 113 31.340 20.155 -55.297 1.00 21.64 O ATOM 874 CB LEU A 113 34.111 19.360 -55.539 1.00 22.28 C ATOM 875 CG LEU A 113 34.106 18.207 -54.522 1.00 26.39 C ATOM 876 CD1 LEU A 113 34.441 16.897 -55.201 1.00 30.17 C ATOM 877 CD2 LEU A 113 35.099 18.477 -53.404 1.00 30.38 C ATOM 0 H LEU A 113 33.023 21.174 -57.184 1.00 29.05 H new ATOM 0 HA LEU A 113 33.285 18.439 -57.152 1.00 19.18 H new ATOM 0 HB2 LEU A 113 34.998 19.420 -55.926 1.00 22.28 H new ATOM 0 HB3 LEU A 113 33.954 20.189 -55.060 1.00 22.28 H new ATOM 0 HG LEU A 113 33.216 18.144 -54.142 1.00 26.39 H new ATOM 0 HD11 LEU A 113 34.433 16.182 -54.546 1.00 30.17 H new ATOM 0 HD12 LEU A 113 33.783 16.712 -55.889 1.00 30.17 H new ATOM 0 HD13 LEU A 113 35.321 16.957 -55.604 1.00 30.17 H new ATOM 0 HD21 LEU A 113 35.083 17.741 -52.772 1.00 30.38 H new ATOM 0 HD22 LEU A 113 35.990 18.564 -53.777 1.00 30.38 H new ATOM 0 HD23 LEU A 113 34.858 19.299 -52.949 1.00 30.38 H new ATOM 878 N VAL A 114 30.804 18.438 -56.637 1.00 12.85 N ATOM 879 CA VAL A 114 29.408 18.410 -56.212 1.00 22.73 C ATOM 880 C VAL A 114 29.139 17.433 -55.078 1.00 27.67 C ATOM 881 O VAL A 114 29.422 16.242 -55.186 1.00 29.70 O ATOM 882 CB VAL A 114 28.471 18.099 -57.406 1.00 21.08 C ATOM 883 CG1 VAL A 114 27.023 18.003 -56.951 1.00 26.68 C ATOM 884 CG2 VAL A 114 28.610 19.180 -58.454 1.00 27.47 C ATOM 0 H VAL A 114 31.007 17.851 -57.232 1.00 12.85 H new ATOM 0 HA VAL A 114 29.220 19.298 -55.871 1.00 22.73 H new ATOM 0 HB VAL A 114 28.727 17.243 -57.784 1.00 21.08 H new ATOM 0 HG11 VAL A 114 26.456 17.808 -57.714 1.00 26.68 H new ATOM 0 HG12 VAL A 114 26.936 17.294 -56.295 1.00 26.68 H new ATOM 0 HG13 VAL A 114 26.752 18.845 -56.554 1.00 26.68 H new ATOM 0 HG21 VAL A 114 28.023 18.984 -59.201 1.00 27.47 H new ATOM 0 HG22 VAL A 114 28.368 20.037 -58.069 1.00 27.47 H new ATOM 0 HG23 VAL A 114 29.528 19.213 -58.765 1.00 27.47 H new ATOM 885 N VAL A 115 28.582 17.951 -53.988 1.00 29.26 N ATOM 886 CA VAL A 115 28.267 17.126 -52.833 1.00 21.92 C ATOM 887 C VAL A 115 26.754 16.968 -52.681 1.00 21.49 C ATOM 888 O VAL A 115 26.025 17.944 -52.498 1.00 17.71 O ATOM 889 CB VAL A 115 28.888 17.696 -51.530 1.00 10.31 C ATOM 890 CG1 VAL A 115 28.647 16.736 -50.373 1.00 13.21 C ATOM 891 CG2 VAL A 115 30.393 17.915 -51.708 1.00 9.20 C ATOM 0 H VAL A 115 28.379 18.782 -53.899 1.00 29.26 H new ATOM 0 HA VAL A 115 28.659 16.252 -52.985 1.00 21.92 H new ATOM 0 HB VAL A 115 28.465 18.547 -51.335 1.00 10.31 H new ATOM 0 HG11 VAL A 115 29.038 17.100 -49.563 1.00 13.21 H new ATOM 0 HG12 VAL A 115 27.693 16.616 -50.245 1.00 13.21 H new ATOM 0 HG13 VAL A 115 29.056 15.879 -50.572 1.00 13.21 H new ATOM 0 HG21 VAL A 115 30.768 18.271 -50.887 1.00 9.20 H new ATOM 0 HG22 VAL A 115 30.821 17.070 -51.918 1.00 9.20 H new ATOM 0 HG23 VAL A 115 30.545 18.543 -52.431 1.00 9.20 H new ATOM 892 N GLU A 116 26.289 15.730 -52.811 1.00 19.62 N ATOM 893 CA GLU A 116 24.874 15.424 -52.681 1.00 24.77 C ATOM 894 C GLU A 116 24.614 14.648 -51.398 1.00 20.10 C ATOM 895 O GLU A 116 25.073 13.519 -51.240 1.00 20.05 O ATOM 896 CB GLU A 116 24.375 14.611 -53.879 1.00 31.29 C ATOM 897 CG GLU A 116 24.367 15.353 -55.205 1.00 41.80 C ATOM 898 CD GLU A 116 23.625 14.593 -56.292 1.00 53.88 C ATOM 899 OE1 GLU A 116 23.840 13.367 -56.428 1.00 60.42 O ATOM 900 OE2 GLU A 116 22.822 15.224 -57.013 1.00 61.43 O ATOM 0 H GLU A 116 26.785 15.047 -52.977 1.00 19.62 H new ATOM 0 HA GLU A 116 24.391 16.265 -52.652 1.00 24.77 H new ATOM 0 HB2 GLU A 116 24.931 13.821 -53.970 1.00 31.29 H new ATOM 0 HB3 GLU A 116 23.474 14.304 -53.691 1.00 31.29 H new ATOM 0 HG2 GLU A 116 23.955 16.223 -55.083 1.00 41.80 H new ATOM 0 HG3 GLU A 116 25.281 15.510 -55.490 1.00 41.80 H new HETATM 901 N NPH A 117 23.870 15.268 -50.490 1.00 25.06 N HETATM 902 CA NPH A 117 23.515 14.664 -49.210 1.00 22.94 C HETATM 903 CB NPH A 117 23.658 15.702 -48.113 1.00 21.44 C HETATM 904 SG NPH A 117 25.281 16.410 -47.839 1.00 31.29 S HETATM 905 CD NPH A 117 25.498 16.310 -46.059 0.50 33.70 C HETATM 906 CE NPH A 117 26.971 16.492 -45.820 0.50 39.92 C HETATM 907 OZ NPH A 117 27.815 15.348 -45.806 0.50 43.26 O HETATM 908 NZ NPH A 117 27.411 17.709 -45.649 0.50 43.87 N HETATM 909 C6 NPH A 117 28.830 18.015 -45.436 0.50 51.14 C HETATM 910 C5 NPH A 117 29.800 17.009 -45.411 0.50 51.26 C HETATM 911 C6A NPH A 117 29.195 19.344 -45.262 0.50 52.54 C HETATM 912 C4A NPH A 117 31.137 17.332 -45.219 0.50 52.42 C HETATM 913 C10 NPH A 117 30.543 19.684 -45.064 0.50 54.23 C HETATM 914 C7 NPH A 117 28.201 20.331 -45.288 0.50 53.28 C HETATM 915 C4 NPH A 117 32.087 16.314 -45.202 0.50 53.40 C HETATM 916 C1A NPH A 117 31.522 18.669 -45.046 0.50 55.19 C HETATM 917 N10 NPH A 117 30.892 21.027 -44.889 0.50 53.87 N HETATM 918 C8 NPH A 117 28.549 21.670 -45.111 0.50 54.83 C HETATM 919 C3 NPH A 117 33.439 16.599 -45.020 0.50 53.96 C HETATM 920 N1 NPH A 117 32.879 18.963 -44.861 0.50 57.78 N HETATM 921 C9 NPH A 117 29.889 22.011 -44.911 0.50 55.29 C HETATM 922 C2 NPH A 117 33.832 17.924 -44.852 0.50 55.79 C HETATM 923 C NPH A 117 22.061 14.206 -49.245 1.00 23.82 C HETATM 924 O NPH A 117 21.158 15.023 -49.423 1.00 24.62 O HETATM 0 HZ NPH A 117 26.846 18.358 -45.662 0.50 43.87 H new HETATM 0 HD3 NPH A 117 24.984 16.996 -45.606 0.50 33.70 H new HETATM 0 HD2 NPH A 117 25.192 15.455 -45.718 0.50 33.70 H new HETATM 0 HC2 NPH A 117 34.771 18.134 -44.728 0.50 55.79 H new HETATM 0 HB3 NPH A 117 23.045 16.428 -48.308 1.00 21.44 H new HETATM 0 HB2 NPH A 117 23.364 15.299 -47.281 1.00 21.44 H new HETATM 0 HA NPH A 117 24.099 13.908 -49.042 1.00 22.94 H new HETATM 0 H9 NPH A 117 30.131 22.942 -44.785 0.50 55.29 H new HETATM 0 H8 NPH A 117 27.866 22.359 -45.127 0.50 54.83 H new HETATM 0 H7 NPH A 117 27.274 20.084 -45.429 0.50 53.28 H new HETATM 0 H5 NPH A 117 29.539 16.082 -45.528 0.50 51.26 H new HETATM 0 H4 NPH A 117 31.804 15.394 -45.318 0.50 53.40 H new HETATM 0 H3 NPH A 117 34.096 15.885 -45.011 0.50 53.96 H new ATOM 925 N VAL A 118 21.831 12.913 -49.037 1.00 28.67 N ATOM 926 CA VAL A 118 20.474 12.371 -49.062 1.00 33.96 C ATOM 927 C VAL A 118 20.069 11.729 -47.737 1.00 36.17 C ATOM 928 O VAL A 118 20.854 11.018 -47.109 1.00 40.12 O ATOM 929 CB VAL A 118 20.297 11.336 -50.209 1.00 39.91 C ATOM 930 CG1 VAL A 118 18.831 10.915 -50.336 1.00 38.68 C ATOM 931 CG2 VAL A 118 20.791 11.918 -51.524 1.00 43.67 C ATOM 0 H VAL A 118 22.446 12.332 -48.880 1.00 28.67 H new ATOM 0 HA VAL A 118 19.891 13.130 -49.218 1.00 33.96 H new ATOM 0 HB VAL A 118 20.824 10.550 -49.995 1.00 39.91 H new ATOM 0 HG11 VAL A 118 18.740 10.270 -51.055 1.00 38.68 H new ATOM 0 HG12 VAL A 118 18.536 10.514 -49.504 1.00 38.68 H new ATOM 0 HG13 VAL A 118 18.286 11.694 -50.530 1.00 38.68 H new ATOM 0 HG21 VAL A 118 20.676 11.264 -52.231 1.00 43.67 H new ATOM 0 HG22 VAL A 118 20.282 12.716 -51.736 1.00 43.67 H new ATOM 0 HG23 VAL A 118 21.731 12.145 -51.445 1.00 43.67 H new ATOM 932 N MET A 119 18.829 11.986 -47.328 1.00 39.11 N ATOM 933 CA MET A 119 18.273 11.449 -46.092 1.00 39.84 C ATOM 934 C MET A 119 16.761 11.361 -46.256 1.00 45.51 C ATOM 935 O MET A 119 16.066 12.375 -46.173 1.00 45.08 O ATOM 936 CB MET A 119 18.616 12.370 -44.916 1.00 46.77 C ATOM 937 CG MET A 119 19.314 11.688 -43.740 1.00 45.80 C ATOM 938 SD MET A 119 18.225 10.980 -42.492 1.00 41.41 S ATOM 939 CE MET A 119 17.987 9.359 -43.118 1.00 44.09 C ATOM 0 H MET A 119 18.281 12.483 -47.767 1.00 39.11 H new ATOM 0 HA MET A 119 18.646 10.572 -45.911 1.00 39.84 H new ATOM 0 HB2 MET A 119 19.184 13.087 -45.240 1.00 46.77 H new ATOM 0 HB3 MET A 119 17.798 12.780 -44.595 1.00 46.77 H new ATOM 0 HG2 MET A 119 19.883 10.983 -44.087 1.00 45.80 H new ATOM 0 HG3 MET A 119 19.895 12.335 -43.310 1.00 45.80 H new ATOM 0 HE1 MET A 119 17.119 9.029 -42.839 1.00 44.09 H new ATOM 0 HE2 MET A 119 18.030 9.377 -44.087 1.00 44.09 H new ATOM 0 HE3 MET A 119 18.680 8.774 -42.775 1.00 44.09 H new ATOM 940 N LYS A 120 16.265 10.152 -46.521 1.00 52.01 N ATOM 941 CA LYS A 120 14.834 9.908 -46.706 1.00 55.50 C ATOM 942 C LYS A 120 14.220 10.827 -47.764 1.00 61.07 C ATOM 943 O LYS A 120 13.324 11.621 -47.467 1.00 63.20 O ATOM 944 CB LYS A 120 14.079 10.073 -45.381 1.00 57.57 C ATOM 945 CG LYS A 120 14.393 9.026 -44.324 1.00 62.80 C ATOM 946 CD LYS A 120 13.804 9.426 -42.977 1.00 66.61 C ATOM 947 CE LYS A 120 14.422 10.730 -42.479 1.00 72.33 C ATOM 948 NZ LYS A 120 13.835 11.219 -41.198 1.00 69.78 N ATOM 0 H LYS A 120 16.752 9.447 -46.599 1.00 52.01 H new ATOM 0 HA LYS A 120 14.746 8.994 -47.018 1.00 55.50 H new ATOM 0 HB2 LYS A 120 14.280 10.950 -45.017 1.00 57.57 H new ATOM 0 HB3 LYS A 120 13.126 10.053 -45.563 1.00 57.57 H new ATOM 0 HG2 LYS A 120 14.034 8.167 -44.597 1.00 62.80 H new ATOM 0 HG3 LYS A 120 15.354 8.919 -44.243 1.00 62.80 H new ATOM 0 HD2 LYS A 120 12.843 9.529 -43.058 1.00 66.61 H new ATOM 0 HD3 LYS A 120 13.960 8.721 -42.329 1.00 66.61 H new ATOM 0 HE2 LYS A 120 15.376 10.602 -42.361 1.00 72.33 H new ATOM 0 HE3 LYS A 120 14.309 11.413 -43.159 1.00 72.33 H new ATOM 0 HZ1 LYS A 120 13.517 12.043 -41.312 1.00 69.78 H new ATOM 0 HZ2 LYS A 120 13.174 10.678 -40.949 1.00 69.78 H new ATOM 0 HZ3 LYS A 120 14.463 11.229 -40.568 1.00 69.78 H new ATOM 949 N GLY A 121 14.729 10.739 -48.990 1.00 62.98 N ATOM 950 CA GLY A 121 14.207 11.559 -50.072 1.00 61.51 C ATOM 951 C GLY A 121 14.804 12.947 -50.225 1.00 57.12 C ATOM 952 O GLY A 121 15.145 13.351 -51.339 1.00 61.31 O ATOM 0 H GLY A 121 15.372 10.214 -49.213 1.00 62.98 H new ATOM 0 HA2 GLY A 121 14.337 11.080 -50.905 1.00 61.51 H new ATOM 0 HA3 GLY A 121 13.250 11.653 -49.946 1.00 61.51 H new ATOM 953 N VAL A 122 14.909 13.687 -49.123 1.00 48.05 N ATOM 954 CA VAL A 122 15.464 15.042 -49.144 1.00 40.46 C ATOM 955 C VAL A 122 16.907 15.047 -49.643 1.00 37.52 C ATOM 956 O VAL A 122 17.717 14.230 -49.217 1.00 47.57 O ATOM 957 CB VAL A 122 15.397 15.699 -47.740 1.00 38.05 C ATOM 958 CG1 VAL A 122 16.099 17.054 -47.747 1.00 31.26 C ATOM 959 CG2 VAL A 122 13.940 15.863 -47.312 1.00 35.36 C ATOM 0 H VAL A 122 14.662 13.420 -48.344 1.00 48.05 H new ATOM 0 HA VAL A 122 14.921 15.560 -49.759 1.00 40.46 H new ATOM 0 HB VAL A 122 15.851 15.123 -47.106 1.00 38.05 H new ATOM 0 HG11 VAL A 122 16.048 17.450 -46.863 1.00 31.26 H new ATOM 0 HG12 VAL A 122 17.029 16.935 -47.994 1.00 31.26 H new ATOM 0 HG13 VAL A 122 15.667 17.639 -48.388 1.00 31.26 H new ATOM 0 HG21 VAL A 122 13.905 16.274 -46.434 1.00 35.36 H new ATOM 0 HG22 VAL A 122 13.476 16.426 -47.951 1.00 35.36 H new ATOM 0 HG23 VAL A 122 13.512 14.993 -47.279 1.00 35.36 H new ATOM 960 N THR A 123 17.222 15.963 -50.553 1.00 32.61 N ATOM 961 CA THR A 123 18.571 16.046 -51.098 1.00 28.67 C ATOM 962 C THR A 123 19.130 17.463 -51.045 1.00 29.81 C ATOM 963 O THR A 123 18.492 18.416 -51.489 1.00 32.53 O ATOM 964 CB THR A 123 18.627 15.533 -52.561 1.00 29.86 C ATOM 965 OG1 THR A 123 18.176 14.175 -52.612 1.00 31.25 O ATOM 966 CG2 THR A 123 20.054 15.598 -53.103 1.00 32.10 C ATOM 0 H THR A 123 16.671 16.544 -50.867 1.00 32.61 H new ATOM 0 HA THR A 123 19.120 15.477 -50.537 1.00 28.67 H new ATOM 0 HB THR A 123 18.055 16.098 -53.104 1.00 29.86 H new ATOM 0 HG1 THR A 123 18.206 13.899 -53.405 1.00 31.25 H new ATOM 0 HG21 THR A 123 20.068 15.274 -54.017 1.00 32.10 H new ATOM 0 HG22 THR A 123 20.367 16.516 -53.081 1.00 32.10 H new ATOM 0 HG23 THR A 123 20.634 15.046 -52.555 1.00 32.10 H new ATOM 967 N SER A 124 20.324 17.583 -50.480 1.00 25.77 N ATOM 968 CA SER A 124 21.012 18.858 -50.362 1.00 25.34 C ATOM 969 C SER A 124 22.166 18.863 -51.358 1.00 23.45 C ATOM 970 O SER A 124 22.899 17.881 -51.477 1.00 26.73 O ATOM 971 CB SER A 124 21.543 19.037 -48.938 1.00 24.00 C ATOM 972 OG SER A 124 22.400 20.159 -48.851 1.00 27.42 O ATOM 0 H SER A 124 20.761 16.919 -50.151 1.00 25.77 H new ATOM 0 HA SER A 124 20.403 19.589 -50.551 1.00 25.34 H new ATOM 0 HB2 SER A 124 20.800 19.146 -48.324 1.00 24.00 H new ATOM 0 HB3 SER A 124 22.022 18.239 -48.666 1.00 24.00 H new ATOM 0 HG SER A 124 22.102 20.777 -49.335 1.00 27.42 H new ATOM 973 N THR A 125 22.339 19.973 -52.062 1.00 26.29 N ATOM 974 CA THR A 125 23.405 20.068 -53.046 1.00 21.28 C ATOM 975 C THR A 125 24.308 21.265 -52.803 1.00 24.21 C ATOM 976 O THR A 125 23.868 22.415 -52.828 1.00 33.20 O ATOM 977 CB THR A 125 22.835 20.109 -54.474 1.00 20.57 C ATOM 978 OG1 THR A 125 21.991 18.966 -54.671 1.00 15.39 O ATOM 979 CG2 THR A 125 23.961 20.081 -55.502 1.00 6.96 C ATOM 0 H THR A 125 21.853 20.678 -51.986 1.00 26.29 H new ATOM 0 HA THR A 125 23.948 19.270 -52.948 1.00 21.28 H new ATOM 0 HB THR A 125 22.328 20.928 -54.588 1.00 20.57 H new ATOM 0 HG1 THR A 125 21.198 19.167 -54.481 1.00 15.39 H new ATOM 0 HG21 THR A 125 23.584 20.107 -56.396 1.00 6.96 H new ATOM 0 HG22 THR A 125 24.538 20.850 -55.372 1.00 6.96 H new ATOM 0 HG23 THR A 125 24.478 19.268 -55.394 1.00 6.96 H new ATOM 980 N ARG A 126 25.583 20.974 -52.575 1.00 22.28 N ATOM 981 CA ARG A 126 26.577 21.996 -52.310 1.00 20.43 C ATOM 982 C ARG A 126 27.717 21.843 -53.307 1.00 23.15 C ATOM 983 O ARG A 126 28.313 20.774 -53.426 1.00 34.74 O ATOM 984 CB ARG A 126 27.088 21.854 -50.873 1.00 24.84 C ATOM 985 CG ARG A 126 25.992 21.979 -49.815 1.00 34.98 C ATOM 986 CD ARG A 126 26.462 21.569 -48.421 1.00 43.15 C ATOM 987 NE ARG A 126 27.351 22.543 -47.780 1.00 48.97 N ATOM 988 CZ ARG A 126 26.942 23.640 -47.144 1.00 55.33 C ATOM 989 NH1 ARG A 126 25.651 23.931 -47.065 1.00 59.26 N ATOM 990 NH2 ARG A 126 27.823 24.423 -46.533 1.00 54.40 N ATOM 0 H ARG A 126 25.894 20.172 -52.570 1.00 22.28 H new ATOM 0 HA ARG A 126 26.187 22.879 -52.409 1.00 20.43 H new ATOM 0 HB2 ARG A 126 27.523 20.992 -50.777 1.00 24.84 H new ATOM 0 HB3 ARG A 126 27.763 22.532 -50.710 1.00 24.84 H new ATOM 0 HG2 ARG A 126 25.678 22.896 -49.788 1.00 34.98 H new ATOM 0 HG3 ARG A 126 25.237 21.427 -50.072 1.00 34.98 H new ATOM 0 HD2 ARG A 126 25.686 21.432 -47.855 1.00 43.15 H new ATOM 0 HD3 ARG A 126 26.922 20.717 -48.482 1.00 43.15 H new ATOM 0 HE ARG A 126 28.197 22.396 -47.817 1.00 48.97 H new ATOM 0 HH11 ARG A 126 25.070 23.410 -47.426 1.00 59.26 H new ATOM 0 HH12 ARG A 126 25.395 24.641 -46.653 1.00 59.26 H new ATOM 0 HH21 ARG A 126 28.659 24.222 -46.547 1.00 54.40 H new ATOM 0 HH22 ARG A 126 27.558 25.131 -46.123 1.00 54.40 H new ATOM 991 N VAL A 127 28.004 22.913 -54.035 1.00 21.57 N ATOM 992 CA VAL A 127 29.066 22.900 -55.032 1.00 20.29 C ATOM 993 C VAL A 127 30.311 23.609 -54.508 1.00 24.09 C ATOM 994 O VAL A 127 30.217 24.649 -53.854 1.00 30.37 O ATOM 995 CB VAL A 127 28.604 23.578 -56.346 1.00 13.91 C ATOM 996 CG1 VAL A 127 29.721 23.563 -57.379 1.00 16.80 C ATOM 997 CG2 VAL A 127 27.372 22.882 -56.889 1.00 16.99 C ATOM 0 H VAL A 127 27.591 23.664 -53.966 1.00 21.57 H new ATOM 0 HA VAL A 127 29.281 21.972 -55.215 1.00 20.29 H new ATOM 0 HB VAL A 127 28.380 24.502 -56.153 1.00 13.91 H new ATOM 0 HG11 VAL A 127 29.414 23.991 -58.194 1.00 16.80 H new ATOM 0 HG12 VAL A 127 30.489 24.043 -57.032 1.00 16.80 H new ATOM 0 HG13 VAL A 127 29.972 22.646 -57.571 1.00 16.80 H new ATOM 0 HG21 VAL A 127 27.092 23.314 -57.711 1.00 16.99 H new ATOM 0 HG22 VAL A 127 27.578 21.951 -57.068 1.00 16.99 H new ATOM 0 HG23 VAL A 127 26.656 22.934 -56.236 1.00 16.99 H new ATOM 998 N TYR A 128 31.471 23.019 -54.777 1.00 17.61 N ATOM 999 CA TYR A 128 32.751 23.575 -54.357 1.00 18.46 C ATOM 1000 C TYR A 128 33.616 23.753 -55.599 1.00 25.32 C ATOM 1001 O TYR A 128 33.317 23.204 -56.661 1.00 23.92 O ATOM 1002 CB TYR A 128 33.482 22.630 -53.387 1.00 17.45 C ATOM 1003 CG TYR A 128 32.798 22.372 -52.062 1.00 14.85 C ATOM 1004 CD1 TYR A 128 31.639 21.600 -51.990 1.00 19.73 C ATOM 1005 CD2 TYR A 128 33.323 22.879 -50.875 1.00 19.48 C ATOM 1006 CE1 TYR A 128 31.021 21.334 -50.769 1.00 18.37 C ATOM 1007 CE2 TYR A 128 32.713 22.617 -49.646 1.00 14.15 C ATOM 1008 CZ TYR A 128 31.562 21.846 -49.601 1.00 18.84 C ATOM 1009 OH TYR A 128 30.955 21.570 -48.396 1.00 20.28 O ATOM 0 H TYR A 128 31.537 22.280 -55.211 1.00 17.61 H new ATOM 0 HA TYR A 128 32.593 24.418 -53.903 1.00 18.46 H new ATOM 0 HB2 TYR A 128 33.614 21.779 -53.833 1.00 17.45 H new ATOM 0 HB3 TYR A 128 34.362 22.997 -53.209 1.00 17.45 H new ATOM 0 HD1 TYR A 128 31.271 21.256 -52.772 1.00 19.73 H new ATOM 0 HD2 TYR A 128 34.092 23.401 -50.901 1.00 19.48 H new ATOM 0 HE1 TYR A 128 30.250 20.816 -50.739 1.00 18.37 H new ATOM 0 HE2 TYR A 128 33.078 22.958 -48.861 1.00 14.15 H new ATOM 0 HH TYR A 128 31.384 21.939 -47.775 1.00 20.28 H new ATOM 1010 N GLU A 129 34.701 24.505 -55.449 1.00 22.26 N ATOM 1011 CA GLU A 129 35.635 24.753 -56.536 1.00 24.79 C ATOM 1012 C GLU A 129 36.997 25.054 -55.927 1.00 20.42 C ATOM 1013 O GLU A 129 37.077 25.613 -54.839 1.00 26.28 O ATOM 1014 CB GLU A 129 35.151 25.904 -57.426 1.00 30.88 C ATOM 1015 CG GLU A 129 34.834 27.206 -56.699 1.00 43.71 C ATOM 1016 CD GLU A 129 34.387 28.314 -57.646 1.00 51.22 C ATOM 1017 OE1 GLU A 129 33.376 28.125 -58.364 1.00 51.95 O ATOM 1018 OE2 GLU A 129 35.051 29.376 -57.668 1.00 47.82 O ATOM 0 H GLU A 129 34.916 24.887 -54.709 1.00 22.26 H new ATOM 0 HA GLU A 129 35.698 23.971 -57.106 1.00 24.79 H new ATOM 0 HB2 GLU A 129 35.830 26.082 -58.095 1.00 30.88 H new ATOM 0 HB3 GLU A 129 34.356 25.614 -57.899 1.00 30.88 H new ATOM 0 HG2 GLU A 129 34.137 27.045 -56.044 1.00 43.71 H new ATOM 0 HG3 GLU A 129 35.620 27.500 -56.211 1.00 43.71 H new ATOM 1019 N ARG A 130 38.060 24.658 -56.620 1.00 22.92 N ATOM 1020 CA ARG A 130 39.422 24.852 -56.134 1.00 28.27 C ATOM 1021 C ARG A 130 39.727 26.251 -55.624 1.00 34.08 C ATOM 1022 O ARG A 130 39.458 27.245 -56.292 1.00 42.11 O ATOM 1023 CB ARG A 130 40.439 24.435 -57.198 1.00 29.07 C ATOM 1024 CG ARG A 130 40.427 22.941 -57.481 1.00 41.19 C ATOM 1025 CD ARG A 130 41.669 22.465 -58.225 1.00 44.98 C ATOM 1026 NE ARG A 130 41.961 21.065 -57.906 1.00 50.57 N ATOM 1027 CZ ARG A 130 41.563 20.022 -58.630 1.00 56.21 C ATOM 1028 NH1 ARG A 130 40.854 20.205 -59.738 1.00 64.42 N ATOM 1029 NH2 ARG A 130 41.846 18.789 -58.227 1.00 58.46 N ATOM 0 H ARG A 130 38.012 24.269 -57.386 1.00 22.92 H new ATOM 0 HA ARG A 130 39.498 24.275 -55.358 1.00 28.27 H new ATOM 0 HB2 ARG A 130 40.255 24.916 -58.020 1.00 29.07 H new ATOM 0 HB3 ARG A 130 41.327 24.697 -56.909 1.00 29.07 H new ATOM 0 HG2 ARG A 130 40.354 22.459 -56.643 1.00 41.19 H new ATOM 0 HG3 ARG A 130 39.640 22.722 -58.004 1.00 41.19 H new ATOM 0 HD2 ARG A 130 41.536 22.562 -59.181 1.00 44.98 H new ATOM 0 HD3 ARG A 130 42.427 23.021 -57.986 1.00 44.98 H new ATOM 0 HE ARG A 130 42.424 20.906 -57.199 1.00 50.57 H new ATOM 0 HH11 ARG A 130 40.650 21.001 -59.991 1.00 64.42 H new ATOM 0 HH12 ARG A 130 40.599 19.527 -60.202 1.00 64.42 H new ATOM 0 HH21 ARG A 130 42.286 18.665 -57.499 1.00 58.46 H new ATOM 0 HH22 ARG A 130 41.589 18.114 -58.694 1.00 58.46 H new ATOM 1030 N ALA A 131 40.259 26.313 -54.410 1.00 38.95 N ATOM 1031 CA ALA A 131 40.617 27.581 -53.789 1.00 50.28 C ATOM 1032 C ALA A 131 41.922 28.105 -54.385 1.00 56.90 C ATOM 1033 O ALA A 131 42.099 29.343 -54.414 1.00 61.71 O ATOM 1034 CB ALA A 131 40.758 27.405 -52.283 1.00 49.51 C ATOM 1035 OXT ALA A 131 42.751 27.269 -54.813 1.00 61.66 O ATOM 0 H ALA A 131 40.422 25.623 -53.924 1.00 38.95 H new ATOM 0 HA ALA A 131 39.914 28.226 -53.962 1.00 50.28 H new ATOM 0 HB1 ALA A 131 40.996 28.254 -51.879 1.00 49.51 H new ATOM 0 HB2 ALA A 131 39.916 27.096 -51.913 1.00 49.51 H new ATOM 0 HB3 ALA A 131 41.451 26.753 -52.097 1.00 49.51 H new TER 1036 ALA A 131 HETATM 1037 O HOH A1001 8.647 20.222 -39.056 1.00 45.16 O HETATM 1038 O HOH A1002 16.907 6.512 -42.744 1.00 33.42 O HETATM 1039 O HOH A1003 28.827 2.276 -52.623 1.00 38.38 O HETATM 1040 O HOH A1004 30.966 10.844 -61.160 1.00 40.82 O HETATM 1041 O HOH A1005 30.838 16.415 -40.165 1.00 29.15 O HETATM 1042 O HOH A1006 31.573 1.965 -31.583 1.00 39.89 O HETATM 1043 O HOH A1007 37.321 3.217 -36.538 1.00 30.75 O HETATM 1044 O HOH A1008 38.663 3.050 -42.546 1.00 40.80 O HETATM 1045 O HOH A1009 38.830 9.609 -38.415 1.00 40.22 O HETATM 1046 O HOH A1010 14.636 22.139 -33.478 1.00 37.49 O HETATM 1047 O HOH A1011 16.639 25.103 -47.161 1.00 43.03 O HETATM 1048 O HOH A1012 17.561 26.508 -50.212 1.00 36.05 O HETATM 1049 O HOH A1013 20.199 26.017 -48.000 1.00 30.09 O HETATM 1050 O HOH A1014 19.269 19.390 -54.054 1.00 32.98 O HETATM 1051 O HOH A1015 24.341 3.887 -33.555 1.00 48.69 O HETATM 1052 O HOH A1016 24.806 10.616 -58.584 1.00 53.76 O HETATM 1053 O HOH A1017 29.937 3.471 -49.079 1.00 11.83 O HETATM 1054 O HOH A1018 31.421 10.991 -50.126 1.00 18.05 O HETATM 1055 O HOH A1019 35.725 3.882 -45.468 1.00 5.17 O HETATM 1056 O HOH A1020 35.293 11.651 -35.895 1.00 12.46 O HETATM 1057 O HOH A1021 36.784 16.657 -63.380 1.00 28.91 O HETATM 1058 O HOH A1022 38.577 25.715 -64.560 1.00 46.10 O HETATM 1059 O HOH A1023 39.943 20.367 -62.416 1.00 29.86 O HETATM 1060 O HOH A1024 42.053 3.459 -49.050 1.00 24.27 O HETATM 1061 O HOH A1026 43.187 22.656 -54.818 1.00 33.44 O HETATM 1062 O HOH A1027 47.201 12.336 -45.984 1.00 35.11 O HETATM 1063 O HOH A1028 53.460 7.293 -47.113 1.00 59.68 O HETATM 1064 O HOH A2001 21.683 15.390 -34.744 1.00 34.84 O HETATM 1065 O HOH A2002 33.838 15.714 -65.621 1.00 51.47 O HETATM 1066 O HOH A2003 36.315 13.744 -63.033 1.00 50.47 O HETATM 1067 O HOH A2004 47.315 14.827 -51.041 1.00 38.84 O HETATM 1068 O HOH A3001 18.141 28.190 -41.798 1.00 76.07 O HETATM 1069 O HOH A3002 26.887 17.479 -42.522 1.00 65.69 O HETATM 1070 O HOH A3003 27.587 21.810 -41.976 1.00 83.31 O HETATM 1071 O HOH A3004 29.928 13.873 -41.695 1.00 54.90 O HETATM 1072 O HOH A3005 32.870 14.371 -39.386 1.00 43.83 O HETATM 1073 O HOH A3006 33.981 15.263 -42.437 1.00 51.87 O HETATM 1074 O HOH A3007 49.639 13.800 -48.775 1.00 78.70 O CONECT 894 901 CONECT 901 894 902 CONECT 902 901 903 923 CONECT 903 902 904 CONECT 904 903 905 CONECT 905 904 906 CONECT 906 905 907 908 CONECT 907 906 CONECT 908 906 909 CONECT 909 908 910 911 CONECT 910 909 912 CONECT 911 909 913 914 CONECT 912 910 915 916 CONECT 913 911 916 917 CONECT 914 911 918 CONECT 915 912 919 CONECT 916 912 913 920 CONECT 917 913 921 CONECT 918 914 921 CONECT 919 915 922 CONECT 920 916 922 CONECT 921 917 918 CONECT 922 919 920 CONECT 923 902 924 925 CONECT 924 923 CONECT 925 923 END