HEADER HYDROLASE (SERINE ESTERASE) 16-NOV-95 1CUA TITLE CUTINASE, N172K MUTANT COMPND MOL_ID: 1; COMPND 2 MOLECULE: CUTINASE; COMPND 3 CHAIN: A; COMPND 4 EC: 3.1.1.3; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; SOURCE 3 ORGANISM_TAXID: 70791; SOURCE 4 STRAIN: MPVI; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PUC19 KEYWDS HYDROLASE, SERINE ESTERASE, GLYCOPROTEIN, HYDROLASE (SERINE KEYWDS 2 ESTERASE) EXPDTA X-RAY DIFFRACTION AUTHOR S.LONGHI,C.CAMBILLAU REVDAT 2 24-FEB-09 1CUA 1 VERSN REVDAT 1 11-JUL-96 1CUA 0 JRNL AUTH S.LONGHI,A.NICOLAS,L.CREVELD,M.EGMOND,C.T.VERRIPS, JRNL AUTH 2 J.DE VLIEG,C.MARTINEZ,C.CAMBILLAU JRNL TITL DYNAMICS OF FUSARIUM SOLANI CUTINASE INVESTIGATED JRNL TITL 2 THROUGH STRUCTURAL COMPARISON AMONG DIFFERENT JRNL TITL 3 CRYSTAL FORMS OF ITS VARIANTS. JRNL REF PROTEINS V. 26 442 1996 JRNL REFN ISSN 0887-3585 JRNL PMID 8990497 JRNL DOI 10.1002/(SICI)1097-0134(199612)26:4<442::AID-PROT5> JRNL DOI 2 3.3.CO;2-H REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.NICOLAS,M.EGMOND,C.T.VERRIPS,J.DE VLIEG,S.LONGHI, REMARK 1 AUTH 2 C.CAMBILLAU,C.MARTINEZ REMARK 1 TITL CONTRIBUTION OF CUTINASE SER 42 SIDE-CHAIN TO THE REMARK 1 TITL 2 STABILIZATION OF THE OXYANION TRANSITION STATE REMARK 1 REF TO BE PUBLISHED REMARK 1 REFN REMARK 1 REFERENCE 2 REMARK 1 AUTH C.MARTINEZ,A.NICOLAS,H.VAN TILBEURGH,M.P.EGLOFF, REMARK 1 AUTH 2 C.CUDREY,R.VERGER,C.CAMBILLAU REMARK 1 TITL CUTINASE, A LIPOLYTIC ENZYME WITH A PREFORMED REMARK 1 TITL 2 OXYANION HOLE REMARK 1 REF BIOCHEMISTRY V. 33 83 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH C.MARTINEZ,P.DE GEUS,P.STANSSENS,M.LAUWEREYS, REMARK 1 AUTH 2 C.CAMBILLAU REMARK 1 TITL ENGINEERING CYSTEINE MUTANTS TO OBTAIN REMARK 1 TITL 2 CRYSTALLOGRAPHIC PHASES WITH A CUTINASE FROM REMARK 1 TITL 3 FUSARIUM SOLANI PISI REMARK 1 REF PROTEIN ENG. V. 6 157 1993 REMARK 1 REFN ISSN 0269-2139 REMARK 1 REFERENCE 4 REMARK 1 AUTH C.MARTINEZ,P.DE GEUS,M.LAUWEREYS,G.MATTHYSSENS, REMARK 1 AUTH 2 C.CAMBILLAU REMARK 1 TITL FUSARIUM SOLANI CUTINASE IS A LIPOLYTIC ENZYME REMARK 1 TITL 2 WITH A CATALYTIC SERINE ACCESSIBLE TO SOLVENT REMARK 1 REF NATURE V. 356 615 1992 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 6.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : NULL REMARK 3 DATA CUTOFF LOW (ABS(F)) : NULL REMARK 3 COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 NUMBER OF REFLECTIONS : 12705 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING SET) : 0.148 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF FREE R VALUE : NULL REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : NULL REMARK 3 BIN RESOLUTION RANGE HIGH (A) : NULL REMARK 3 BIN RESOLUTION RANGE LOW (A) : NULL REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : NULL REMARK 3 REFLECTIONS IN BIN (WORKING SET) : NULL REMARK 3 BIN R VALUE (WORKING SET) : NULL REMARK 3 BIN FREE R VALUE : NULL REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 BIN FREE R VALUE TEST SET COUNT : NULL REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1781 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 660 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 41.20 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) : 0.010 REMARK 3 BOND ANGLES (DEGREES) : 1.45 REMARK 3 DIHEDRAL ANGLES (DEGREES) : NULL REMARK 3 IMPROPER ANGLES (DEGREES) : NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : NULL 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 : NULL REMARK 3 TOPOLOGY FILE 1 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CUA 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 : NULL REMARK 200 TEMPERATURE (KELVIN) : 293 REMARK 200 PH : NULL REMARK 200 NUMBER OF CRYSTALS USED : NULL 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 : COLLIMATOR REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MAR SCANNER 180 MM PLATE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MARXDS REMARK 200 DATA SCALING SOFTWARE : NULL REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 13176 REMARK 200 RESOLUTION RANGE HIGH (A) : NULL REMARK 200 RESOLUTION RANGE LOW (A) : NULL REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 82.0 REMARK 200 DATA REDUNDANCY : 2.100 REMARK 200 R MERGE (I) : 0.04100 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL REMARK 200 SOFTWARE USED: X-PLOR 3.1 REMARK 200 STARTING MODEL: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 37.00 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.96 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,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 33.68000 REMARK 290 SMTRY3 2 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: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 400 REMARK 400 COMPOUND REMARK 400 REMARK 400 SER 120: REMARK 400 THE "EPSILON" CONFORMATION OF THE CATALYTIC SERINE IS A REMARK 400 TYPICAL FEATURE OF THE ALPHA/BETA HYDROLASE FAMILY, WHICH REMARK 400 CUTINASE BELONGS TO. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 LEU A 1 REMARK 465 PRO A 2 REMARK 465 THR A 3 REMARK 465 SER A 4 REMARK 465 ASN A 5 REMARK 465 PRO A 6 REMARK 465 ALA A 7 REMARK 465 GLN A 8 REMARK 465 GLU A 9 REMARK 465 LEU A 10 REMARK 465 GLU A 11 REMARK 465 ALA A 12 REMARK 465 ARG A 13 REMARK 465 GLN A 14 REMARK 465 LEU A 15 REMARK 465 GLY A 16 REMARK 465 ALA A 214 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 120 -121.58 58.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 663 DISTANCE = 5.94 ANGSTROMS REMARK 525 HOH A 942 DISTANCE = 7.14 ANGSTROMS REMARK 525 HOH A 944 DISTANCE = 7.03 ANGSTROMS REMARK 525 HOH A 959 DISTANCE = 5.88 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: CAT REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: CATALYTIC TRIAD DBREF 1CUA A 1 214 UNP P00590 CUTI1_FUSSO 17 230 SEQADV 1CUA ALA A 32 UNP P00590 ARG 48 CLONING ARTIFACT SEQADV 1CUA LYS A 172 UNP P00590 ASN 188 ENGINEERED SEQRES 1 A 214 LEU PRO THR SER ASN PRO ALA GLN GLU LEU GLU ALA ARG SEQRES 2 A 214 GLN LEU GLY ARG THR THR ARG ASP ASP LEU ILE ASN GLY SEQRES 3 A 214 ASN SER ALA SER CYS ALA ASP VAL ILE PHE ILE TYR ALA SEQRES 4 A 214 ARG GLY SER THR GLU THR GLY ASN LEU GLY THR LEU GLY SEQRES 5 A 214 PRO SER ILE ALA SER ASN LEU GLU SER ALA PHE GLY LYS SEQRES 6 A 214 ASP GLY VAL TRP ILE GLN GLY VAL GLY GLY ALA TYR ARG SEQRES 7 A 214 ALA THR LEU GLY ASP ASN ALA LEU PRO ARG GLY THR SER SEQRES 8 A 214 SER ALA ALA ILE ARG GLU MET LEU GLY LEU PHE GLN GLN SEQRES 9 A 214 ALA ASN THR LYS CYS PRO ASP ALA THR LEU ILE ALA GLY SEQRES 10 A 214 GLY TYR SER GLN GLY ALA ALA LEU ALA ALA ALA SER ILE SEQRES 11 A 214 GLU ASP LEU ASP SER ALA ILE ARG ASP LYS ILE ALA GLY SEQRES 12 A 214 THR VAL LEU PHE GLY TYR THR LYS ASN LEU GLN ASN ARG SEQRES 13 A 214 GLY ARG ILE PRO ASN TYR PRO ALA ASP ARG THR LYS VAL SEQRES 14 A 214 PHE CYS LYS THR GLY ASP LEU VAL CYS THR GLY SER LEU SEQRES 15 A 214 ILE VAL ALA ALA PRO HIS LEU ALA TYR GLY PRO ASP ALA SEQRES 16 A 214 ARG GLY PRO ALA PRO GLU PHE LEU ILE GLU LYS VAL ARG SEQRES 17 A 214 ALA VAL ARG GLY SER ALA FORMUL 2 HOH *210(H2 O) HELIX 1 1 ASP A 22 ASN A 25 1 4 HELIX 2 2 SER A 28 SER A 30 5 3 HELIX 3 3 GLY A 49 PHE A 63 1 15 HELIX 4 4 LEU A 81 ALA A 85 5 5 HELIX 5 5 SER A 92 LYS A 108 1 17 HELIX 6 6 SER A 120 ASP A 132 5 13 HELIX 7 7 SER A 135 LYS A 140 1 6 HELIX 8 8 ALA A 164 ARG A 166 5 3 HELIX 9 9 LEU A 176 THR A 179 5 4 HELIX 10 10 ALA A 186 LEU A 189 5 4 HELIX 11 11 GLY A 192 ARG A 196 1 5 HELIX 12 12 PRO A 198 ARG A 211 1 14 SHEET 1 A 5 VAL A 68 GLY A 72 0 SHEET 2 A 5 VAL A 34 ALA A 39 1 N VAL A 34 O TRP A 69 SHEET 3 A 5 THR A 113 TYR A 119 1 N THR A 113 O ILE A 35 SHEET 4 A 5 ILE A 141 PHE A 147 1 N ALA A 142 O LEU A 114 SHEET 5 A 5 THR A 167 PHE A 170 1 N LYS A 168 O THR A 144 SSBOND 1 CYS A 31 CYS A 109 1555 1555 2.03 SSBOND 2 CYS A 171 CYS A 178 1555 1555 2.04 SITE 1 CAT 3 SER A 120 HIS A 188 ASP A 175 CRYST1 35.120 67.360 37.050 90.00 93.90 90.00 P 1 21 1 2 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 0.028474 0.000000 0.001941 0.00000 SCALE2 0.000000 0.014846 0.000000 0.00000 SCALE3 0.000000 0.000000 0.027053 0.00000 ATOM 1 N ARG A 17 3.690 66.978 34.025 1.00 34.88 N ATOM 2 CA ARG A 17 4.573 67.184 32.841 1.00 31.78 C ATOM 3 C ARG A 17 4.648 65.849 32.109 1.00 26.48 C ATOM 4 O ARG A 17 3.611 65.381 31.649 1.00 26.35 O ATOM 5 CB ARG A 17 5.965 67.656 33.257 1.00 36.01 C ATOM 6 CG ARG A 17 6.753 68.263 32.107 1.00 41.30 C ATOM 7 CD ARG A 17 8.253 68.097 32.359 1.00 46.21 C ATOM 8 NE ARG A 17 9.007 69.283 31.954 1.00 50.35 N ATOM 9 CZ ARG A 17 9.080 70.411 32.667 1.00 52.50 C ATOM 10 NH1 ARG A 17 8.454 70.522 33.841 1.00 53.02 N ATOM 11 NH2 ARG A 17 9.753 71.451 32.181 1.00 54.12 N ATOM 12 HE ARG A 17 9.510 69.240 31.115 1.00 0.00 H ATOM 13 HH11 ARG A 17 7.911 69.768 34.203 1.00 0.00 H ATOM 14 HH12 ARG A 17 8.511 71.384 34.345 1.00 0.00 H ATOM 15 HH21 ARG A 17 10.192 71.368 31.281 1.00 0.00 H ATOM 16 HH22 ARG A 17 9.811 72.312 32.690 1.00 0.00 H ATOM 17 N THR A 18 5.814 65.197 32.073 1.00 20.38 N ATOM 18 CA THR A 18 5.922 63.926 31.354 1.00 17.84 C ATOM 19 C THR A 18 5.361 62.688 32.037 1.00 14.46 C ATOM 20 O THR A 18 5.334 61.608 31.444 1.00 11.72 O ATOM 21 CB THR A 18 7.359 63.633 30.886 1.00 19.35 C ATOM 22 OG1 THR A 18 8.278 63.864 31.962 1.00 19.72 O ATOM 23 CG2 THR A 18 7.703 64.509 29.689 1.00 19.36 C ATOM 24 H THR A 18 6.638 65.482 32.523 1.00 0.00 H ATOM 25 HG1 THR A 18 9.175 63.772 31.597 1.00 0.00 H ATOM 26 N THR A 19 4.961 62.828 33.295 1.00 13.54 N ATOM 27 CA THR A 19 4.371 61.708 34.011 1.00 12.54 C ATOM 28 C THR A 19 3.028 62.118 34.607 1.00 12.50 C ATOM 29 O THR A 19 2.935 63.117 35.349 1.00 10.25 O ATOM 30 CB THR A 19 5.302 61.145 35.129 1.00 13.63 C ATOM 31 OG1 THR A 19 6.476 60.567 34.536 1.00 13.27 O ATOM 32 CG2 THR A 19 4.568 60.058 35.961 1.00 13.10 C ATOM 33 H THR A 19 5.037 63.682 33.765 1.00 0.00 H ATOM 34 HG1 THR A 19 6.910 61.320 34.117 1.00 0.00 H ATOM 35 N ARG A 20 1.990 61.387 34.209 1.00 9.53 N ATOM 36 CA ARG A 20 0.647 61.609 34.711 1.00 9.75 C ATOM 37 C ARG A 20 0.025 60.253 35.016 1.00 9.87 C ATOM 38 O ARG A 20 0.058 59.331 34.188 1.00 7.75 O ATOM 39 CB ARG A 20 -0.220 62.383 33.717 1.00 10.75 C ATOM 40 CG ARG A 20 0.164 63.859 33.588 1.00 11.80 C ATOM 41 CD ARG A 20 -0.183 64.650 34.861 1.00 11.24 C ATOM 42 NE ARG A 20 -1.621 64.909 34.996 1.00 11.61 N ATOM 43 CZ ARG A 20 -2.265 65.882 34.357 1.00 11.42 C ATOM 44 NH1 ARG A 20 -1.599 66.693 33.537 1.00 13.47 N ATOM 45 NH2 ARG A 20 -3.568 66.051 34.536 1.00 10.00 N ATOM 46 H ARG A 20 2.109 60.643 33.622 1.00 0.00 H ATOM 47 HE ARG A 20 -2.133 64.332 35.585 1.00 0.00 H ATOM 48 HH11 ARG A 20 -0.615 66.566 33.395 1.00 0.00 H ATOM 49 HH12 ARG A 20 -2.073 67.422 33.055 1.00 0.00 H ATOM 50 HH21 ARG A 20 -4.056 65.470 35.179 1.00 0.00 H ATOM 51 HH22 ARG A 20 -4.058 66.779 34.071 1.00 0.00 H ATOM 52 N ASP A 21 -0.447 60.117 36.253 1.00 8.05 N ATOM 53 CA ASP A 21 -1.095 58.902 36.712 1.00 8.51 C ATOM 54 C ASP A 21 -2.422 59.260 37.358 1.00 9.31 C ATOM 55 O ASP A 21 -2.768 58.703 38.400 1.00 10.17 O ATOM 56 CB ASP A 21 -0.200 58.176 37.721 1.00 8.43 C ATOM 57 CG ASP A 21 0.983 57.490 37.060 1.00 9.34 C ATOM 58 OD1 ASP A 21 0.751 56.580 36.238 1.00 9.07 O ATOM 59 OD2 ASP A 21 2.133 57.864 37.366 1.00 10.59 O ATOM 60 H ASP A 21 -0.355 60.874 36.876 1.00 0.00 H ATOM 61 N ASP A 22 -3.192 60.129 36.706 1.00 8.95 N ATOM 62 CA ASP A 22 -4.483 60.592 37.259 1.00 10.69 C ATOM 63 C ASP A 22 -5.485 59.473 37.558 1.00 11.79 C ATOM 64 O ASP A 22 -6.246 59.552 38.527 1.00 10.95 O ATOM 65 CB ASP A 22 -5.155 61.631 36.334 1.00 9.42 C ATOM 66 CG ASP A 22 -4.372 62.941 36.215 1.00 10.64 C ATOM 67 OD1 ASP A 22 -3.285 63.104 36.836 1.00 11.20 O ATOM 68 OD2 ASP A 22 -4.858 63.821 35.476 1.00 10.52 O ATOM 69 H ASP A 22 -2.888 60.491 35.843 1.00 0.00 H ATOM 70 N LEU A 23 -5.517 58.456 36.702 1.00 10.52 N ATOM 71 CA LEU A 23 -6.441 57.336 36.888 1.00 10.88 C ATOM 72 C LEU A 23 -6.043 56.487 38.104 1.00 10.63 C ATOM 73 O LEU A 23 -6.888 56.142 38.927 1.00 10.41 O ATOM 74 CB LEU A 23 -6.470 56.441 35.637 1.00 9.74 C ATOM 75 CG LEU A 23 -7.295 55.147 35.700 1.00 11.26 C ATOM 76 CD1 LEU A 23 -8.758 55.477 35.945 1.00 11.50 C ATOM 77 CD2 LEU A 23 -7.128 54.358 34.400 1.00 12.13 C ATOM 78 H LEU A 23 -4.920 58.512 35.933 1.00 0.00 H ATOM 79 N ILE A 24 -4.762 56.139 38.183 1.00 10.06 N ATOM 80 CA ILE A 24 -4.249 55.323 39.278 1.00 10.88 C ATOM 81 C ILE A 24 -4.369 56.057 40.620 1.00 13.15 C ATOM 82 O ILE A 24 -4.744 55.461 41.636 1.00 12.92 O ATOM 83 CB ILE A 24 -2.773 54.959 39.035 1.00 11.46 C ATOM 84 CG1 ILE A 24 -2.669 53.965 37.871 1.00 12.14 C ATOM 85 CG2 ILE A 24 -2.136 54.405 40.310 1.00 11.78 C ATOM 86 CD1 ILE A 24 -1.235 53.591 37.484 1.00 12.72 C ATOM 87 H ILE A 24 -4.145 56.451 37.500 1.00 0.00 H ATOM 88 N ASN A 25 -4.069 57.353 40.598 1.00 13.17 N ATOM 89 CA ASN A 25 -4.101 58.181 41.804 1.00 15.58 C ATOM 90 C ASN A 25 -5.506 58.651 42.129 1.00 18.29 C ATOM 91 O ASN A 25 -5.791 59.002 43.282 1.00 20.07 O ATOM 92 CB ASN A 25 -3.233 59.443 41.633 1.00 14.54 C ATOM 93 CG ASN A 25 -1.747 59.160 41.630 1.00 14.38 C ATOM 94 OD1 ASN A 25 -1.281 58.151 42.162 1.00 15.56 O ATOM 95 ND2 ASN A 25 -0.989 60.076 41.046 1.00 14.83 N ATOM 96 H ASN A 25 -3.807 57.780 39.753 1.00 0.00 H ATOM 97 HD21 ASN A 25 -0.017 59.933 41.033 1.00 0.00 H ATOM 98 HD22 ASN A 25 -1.433 60.867 40.656 1.00 0.00 H ATOM 99 N GLY A 26 -6.366 58.659 41.114 1.00 18.65 N ATOM 100 CA GLY A 26 -7.719 59.161 41.251 1.00 20.37 C ATOM 101 C GLY A 26 -8.667 58.539 42.251 1.00 21.97 C ATOM 102 O GLY A 26 -8.664 57.323 42.460 1.00 20.65 O ATOM 103 H GLY A 26 -6.123 58.311 40.239 1.00 0.00 H ATOM 104 N ASN A 27 -9.483 59.397 42.867 1.00 24.99 N ATOM 105 CA ASN A 27 -10.482 58.970 43.847 1.00 26.02 C ATOM 106 C ASN A 27 -11.749 58.543 43.145 1.00 27.03 C ATOM 107 O ASN A 27 -12.386 59.330 42.424 1.00 25.89 O ATOM 108 CB ASN A 27 -10.778 60.067 44.877 1.00 27.44 C ATOM 109 CG ASN A 27 -9.870 59.972 46.097 1.00 27.71 C ATOM 110 OD1 ASN A 27 -8.896 60.720 46.215 1.00 29.26 O ATOM 111 ND2 ASN A 27 -10.170 59.028 46.997 1.00 25.20 N ATOM 112 H ASN A 27 -9.405 60.350 42.648 1.00 0.00 H ATOM 113 HD21 ASN A 27 -9.637 58.833 47.768 1.00 0.00 H ATOM 114 HD22 ASN A 27 -10.980 58.503 46.796 1.00 0.00 H ATOM 115 N SER A 28 -12.107 57.283 43.377 1.00 28.07 N ATOM 116 CA SER A 28 -13.288 56.657 42.784 1.00 29.34 C ATOM 117 C SER A 28 -14.575 57.395 43.154 1.00 28.84 C ATOM 118 O SER A 28 -15.559 57.379 42.401 1.00 29.70 O ATOM 119 CB SER A 28 -13.371 55.192 43.233 1.00 30.81 C ATOM 120 OG SER A 28 -14.514 54.547 42.694 1.00 34.50 O ATOM 121 H SER A 28 -11.545 56.736 43.977 1.00 0.00 H ATOM 122 HG SER A 28 -14.448 54.611 41.733 1.00 0.00 H ATOM 123 N ALA A 29 -14.571 58.026 44.322 1.00 27.51 N ATOM 124 CA ALA A 29 -15.744 58.761 44.776 1.00 26.44 C ATOM 125 C ALA A 29 -15.887 60.067 43.997 1.00 25.16 C ATOM 126 O ALA A 29 -16.950 60.685 44.000 1.00 25.51 O ATOM 127 CB ALA A 29 -15.656 59.031 46.290 1.00 25.04 C ATOM 128 H ALA A 29 -13.777 57.984 44.901 1.00 0.00 H ATOM 129 N SER A 30 -14.811 60.490 43.343 1.00 23.58 N ATOM 130 CA SER A 30 -14.841 61.712 42.553 1.00 24.10 C ATOM 131 C SER A 30 -14.226 61.461 41.170 1.00 22.09 C ATOM 132 O SER A 30 -13.163 61.975 40.832 1.00 21.92 O ATOM 133 CB SER A 30 -14.107 62.828 43.288 1.00 24.84 C ATOM 134 OG SER A 30 -12.942 62.317 43.909 1.00 30.14 O ATOM 135 H SER A 30 -13.971 60.001 43.348 1.00 0.00 H ATOM 136 HG SER A 30 -13.220 61.732 44.616 1.00 0.00 H ATOM 137 N CYS A 31 -14.901 60.626 40.394 1.00 20.26 N ATOM 138 CA CYS A 31 -14.463 60.284 39.051 1.00 18.57 C ATOM 139 C CYS A 31 -14.569 61.441 38.077 1.00 17.45 C ATOM 140 O CYS A 31 -15.549 62.187 38.093 1.00 16.72 O ATOM 141 CB CYS A 31 -15.325 59.151 38.516 1.00 18.77 C ATOM 142 SG CYS A 31 -14.799 57.511 39.069 1.00 20.69 S ATOM 143 H CYS A 31 -15.726 60.227 40.732 1.00 0.00 H ATOM 144 N ALA A 32 -13.572 61.571 37.205 1.00 16.45 N ATOM 145 CA ALA A 32 -13.597 62.596 36.164 1.00 14.00 C ATOM 146 C ALA A 32 -14.635 62.114 35.136 1.00 13.13 C ATOM 147 O ALA A 32 -14.980 60.927 35.104 1.00 12.32 O ATOM 148 CB ALA A 32 -12.207 62.714 35.504 1.00 13.79 C ATOM 149 H ALA A 32 -12.792 60.993 37.305 1.00 0.00 H ATOM 150 N ASP A 33 -15.153 63.026 34.320 1.00 12.20 N ATOM 151 CA ASP A 33 -16.121 62.662 33.280 1.00 13.38 C ATOM 152 C ASP A 33 -15.418 62.046 32.066 1.00 12.76 C ATOM 153 O ASP A 33 -16.020 61.286 31.302 1.00 12.81 O ATOM 154 CB ASP A 33 -16.884 63.896 32.793 1.00 16.46 C ATOM 155 CG ASP A 33 -17.841 64.455 33.846 1.00 19.50 C ATOM 156 OD1 ASP A 33 -18.314 63.690 34.716 1.00 18.84 O ATOM 157 OD2 ASP A 33 -18.126 65.666 33.778 1.00 22.62 O ATOM 158 H ASP A 33 -14.872 63.964 34.397 1.00 0.00 H ATOM 159 N VAL A 34 -14.157 62.425 31.881 1.00 10.79 N ATOM 160 CA VAL A 34 -13.354 61.964 30.750 1.00 9.88 C ATOM 161 C VAL A 34 -12.008 61.407 31.225 1.00 8.97 C ATOM 162 O VAL A 34 -11.327 62.012 32.064 1.00 9.71 O ATOM 163 CB VAL A 34 -13.076 63.134 29.744 1.00 10.12 C ATOM 164 CG1 VAL A 34 -12.310 62.605 28.512 1.00 10.57 C ATOM 165 CG2 VAL A 34 -14.382 63.816 29.307 1.00 11.18 C ATOM 166 H VAL A 34 -13.727 63.046 32.499 1.00 0.00 H ATOM 167 N ILE A 35 -11.637 60.249 30.692 1.00 7.90 N ATOM 168 CA ILE A 35 -10.367 59.630 31.037 1.00 9.12 C ATOM 169 C ILE A 35 -9.569 59.381 29.745 1.00 9.33 C ATOM 170 O ILE A 35 -10.047 58.713 28.817 1.00 7.77 O ATOM 171 CB ILE A 35 -10.566 58.307 31.829 1.00 7.96 C ATOM 172 CG1 ILE A 35 -11.419 58.577 33.088 1.00 9.55 C ATOM 173 CG2 ILE A 35 -9.200 57.704 32.205 1.00 7.81 C ATOM 174 CD1 ILE A 35 -11.728 57.330 33.917 1.00 8.93 C ATOM 175 H ILE A 35 -12.211 59.802 30.031 1.00 0.00 H ATOM 176 N PHE A 36 -8.360 59.927 29.707 1.00 8.00 N ATOM 177 CA PHE A 36 -7.481 59.807 28.546 1.00 7.79 C ATOM 178 C PHE A 36 -6.303 58.890 28.868 1.00 8.63 C ATOM 179 O PHE A 36 -5.555 59.128 29.833 1.00 9.74 O ATOM 180 CB PHE A 36 -6.994 61.208 28.153 1.00 6.22 C ATOM 181 CG PHE A 36 -6.021 61.229 26.998 1.00 8.78 C ATOM 182 CD1 PHE A 36 -6.376 60.701 25.763 1.00 9.51 C ATOM 183 CD2 PHE A 36 -4.767 61.829 27.143 1.00 9.49 C ATOM 184 CE1 PHE A 36 -5.494 60.773 24.674 1.00 10.29 C ATOM 185 CE2 PHE A 36 -3.880 61.907 26.074 1.00 10.38 C ATOM 186 CZ PHE A 36 -4.248 61.378 24.831 1.00 10.85 C ATOM 187 H PHE A 36 -8.014 60.400 30.486 1.00 0.00 H ATOM 188 N ILE A 37 -6.144 57.835 28.071 1.00 8.02 N ATOM 189 CA ILE A 37 -5.055 56.879 28.278 1.00 7.71 C ATOM 190 C ILE A 37 -4.139 57.008 27.072 1.00 8.05 C ATOM 191 O ILE A 37 -4.575 56.770 25.939 1.00 7.82 O ATOM 192 CB ILE A 37 -5.596 55.437 28.433 1.00 9.46 C ATOM 193 CG1 ILE A 37 -6.528 55.377 29.655 1.00 9.63 C ATOM 194 CG2 ILE A 37 -4.453 54.450 28.583 1.00 8.54 C ATOM 195 CD1 ILE A 37 -7.269 54.079 29.786 1.00 14.27 C ATOM 196 H ILE A 37 -6.758 57.683 27.316 1.00 0.00 H ATOM 197 N TYR A 38 -2.871 57.332 27.331 1.00 6.18 N ATOM 198 CA TYR A 38 -1.919 57.597 26.254 1.00 6.01 C ATOM 199 C TYR A 38 -0.605 56.837 26.342 1.00 5.08 C ATOM 200 O TYR A 38 0.017 56.807 27.402 1.00 6.13 O ATOM 201 CB TYR A 38 -1.646 59.105 26.233 1.00 5.96 C ATOM 202 CG TYR A 38 -0.632 59.529 25.180 1.00 7.37 C ATOM 203 CD1 TYR A 38 -1.030 59.825 23.877 1.00 6.80 C ATOM 204 CD2 TYR A 38 0.729 59.612 25.492 1.00 7.26 C ATOM 205 CE1 TYR A 38 -0.089 60.188 22.909 1.00 8.05 C ATOM 206 CE2 TYR A 38 1.667 59.975 24.538 1.00 7.19 C ATOM 207 CZ TYR A 38 1.256 60.260 23.255 1.00 8.37 C ATOM 208 OH TYR A 38 2.210 60.610 22.320 1.00 10.01 O ATOM 209 H TYR A 38 -2.561 57.363 28.264 1.00 0.00 H ATOM 210 HH TYR A 38 1.770 60.778 21.482 1.00 0.00 H ATOM 211 N ALA A 39 -0.137 56.312 25.206 1.00 4.72 N ATOM 212 CA ALA A 39 1.131 55.560 25.166 1.00 5.41 C ATOM 213 C ALA A 39 2.208 56.318 24.373 1.00 6.93 C ATOM 214 O ALA A 39 2.002 56.658 23.195 1.00 7.15 O ATOM 215 CB ALA A 39 0.911 54.190 24.550 1.00 5.95 C ATOM 216 H ALA A 39 -0.658 56.417 24.379 1.00 0.00 H ATOM 217 N ARG A 40 3.354 56.544 25.009 1.00 5.41 N ATOM 218 CA ARG A 40 4.462 57.274 24.405 1.00 6.48 C ATOM 219 C ARG A 40 5.229 56.479 23.326 1.00 6.46 C ATOM 220 O ARG A 40 4.994 55.274 23.111 1.00 5.64 O ATOM 221 CB ARG A 40 5.437 57.722 25.505 1.00 5.50 C ATOM 222 CG ARG A 40 6.202 56.572 26.172 1.00 6.74 C ATOM 223 CD ARG A 40 6.944 57.051 27.428 1.00 7.42 C ATOM 224 NE ARG A 40 7.876 56.063 27.971 1.00 7.74 N ATOM 225 CZ ARG A 40 7.531 54.938 28.601 1.00 9.07 C ATOM 226 NH1 ARG A 40 6.248 54.604 28.786 1.00 8.77 N ATOM 227 NH2 ARG A 40 8.489 54.150 29.076 1.00 9.49 N ATOM 228 H ARG A 40 3.466 56.199 25.924 1.00 0.00 H ATOM 229 HE ARG A 40 8.834 56.241 27.864 1.00 0.00 H ATOM 230 HH11 ARG A 40 5.506 55.186 28.456 1.00 0.00 H ATOM 231 HH12 ARG A 40 6.037 53.752 29.267 1.00 0.00 H ATOM 232 HH21 ARG A 40 9.445 54.416 28.958 1.00 0.00 H ATOM 233 HH22 ARG A 40 8.268 53.304 29.558 1.00 0.00 H ATOM 234 N GLY A 41 6.147 57.181 22.663 1.00 7.02 N ATOM 235 CA GLY A 41 6.954 56.586 21.615 1.00 8.38 C ATOM 236 C GLY A 41 8.189 55.921 22.215 1.00 9.62 C ATOM 237 O GLY A 41 8.457 56.046 23.420 1.00 9.31 O ATOM 238 H GLY A 41 6.266 58.097 22.905 1.00 0.00 H ATOM 239 N SER A 42 8.965 55.250 21.365 1.00 8.52 N ATOM 240 CA SER A 42 10.173 54.561 21.804 1.00 9.50 C ATOM 241 C SER A 42 11.195 55.505 22.432 1.00 9.03 C ATOM 242 O SER A 42 11.405 56.612 21.943 1.00 8.27 O ATOM 243 CB SER A 42 10.826 53.827 20.620 1.00 11.02 C ATOM 244 OG SER A 42 9.948 52.868 20.050 1.00 12.67 O ATOM 245 H SER A 42 8.740 55.245 20.424 1.00 0.00 H ATOM 246 HG SER A 42 9.236 53.402 19.678 1.00 0.00 H ATOM 247 N THR A 43 11.810 55.053 23.523 1.00 7.60 N ATOM 248 CA THR A 43 12.849 55.803 24.225 1.00 7.97 C ATOM 249 C THR A 43 12.401 57.121 24.859 1.00 8.10 C ATOM 250 O THR A 43 13.237 57.891 25.332 1.00 9.43 O ATOM 251 CB THR A 43 14.059 56.091 23.285 1.00 9.54 C ATOM 252 OG1 THR A 43 14.140 55.063 22.287 1.00 9.15 O ATOM 253 CG2 THR A 43 15.370 56.124 24.085 1.00 9.19 C ATOM 254 H THR A 43 11.552 54.173 23.849 1.00 0.00 H ATOM 255 HG1 THR A 43 14.141 54.205 22.738 1.00 0.00 H ATOM 256 N GLU A 44 11.098 57.399 24.857 1.00 7.59 N ATOM 257 CA GLU A 44 10.599 58.639 25.448 1.00 7.36 C ATOM 258 C GLU A 44 10.530 58.524 26.966 1.00 8.43 C ATOM 259 O GLU A 44 10.442 57.416 27.507 1.00 8.59 O ATOM 260 CB GLU A 44 9.238 59.006 24.864 1.00 7.28 C ATOM 261 CG GLU A 44 9.322 59.355 23.390 1.00 8.69 C ATOM 262 CD GLU A 44 8.125 60.140 22.914 1.00 10.14 C ATOM 263 OE1 GLU A 44 6.993 59.778 23.285 1.00 9.24 O ATOM 264 OE2 GLU A 44 8.310 61.126 22.166 1.00 11.71 O ATOM 265 H GLU A 44 10.460 56.764 24.479 1.00 0.00 H ATOM 266 N THR A 45 10.531 59.670 27.638 1.00 9.73 N ATOM 267 CA THR A 45 10.531 59.700 29.100 1.00 10.98 C ATOM 268 C THR A 45 9.149 59.744 29.764 1.00 10.77 C ATOM 269 O THR A 45 8.144 60.048 29.108 1.00 9.28 O ATOM 270 CB THR A 45 11.387 60.874 29.613 1.00 12.10 C ATOM 271 OG1 THR A 45 10.783 62.112 29.216 1.00 15.21 O ATOM 272 CG2 THR A 45 12.802 60.790 29.018 1.00 15.64 C ATOM 273 H THR A 45 10.526 60.515 27.149 1.00 0.00 H ATOM 274 HG1 THR A 45 9.860 62.006 28.952 1.00 0.00 H ATOM 275 N GLY A 46 9.142 59.517 31.087 1.00 10.81 N ATOM 276 CA GLY A 46 7.920 59.514 31.879 1.00 10.08 C ATOM 277 C GLY A 46 6.983 58.504 31.255 1.00 10.31 C ATOM 278 O GLY A 46 7.430 57.464 30.761 1.00 10.86 O ATOM 279 H GLY A 46 9.996 59.334 31.520 1.00 0.00 H ATOM 280 N ASN A 47 5.688 58.775 31.300 1.00 9.23 N ATOM 281 CA ASN A 47 4.745 57.877 30.658 1.00 8.16 C ATOM 282 C ASN A 47 3.956 58.635 29.579 1.00 8.81 C ATOM 283 O ASN A 47 3.031 58.084 28.955 1.00 8.64 O ATOM 284 CB ASN A 47 3.846 57.128 31.670 1.00 8.08 C ATOM 285 CG ASN A 47 2.976 58.057 32.574 1.00 8.57 C ATOM 286 OD1 ASN A 47 2.368 57.570 33.551 1.00 11.12 O ATOM 287 ND2 ASN A 47 2.901 59.345 32.264 1.00 4.33 N ATOM 288 H ASN A 47 5.403 59.579 31.773 1.00 0.00 H ATOM 289 HD21 ASN A 47 2.163 59.689 32.797 1.00 0.00 H ATOM 290 HD22 ASN A 47 3.396 59.848 31.589 1.00 0.00 H ATOM 291 N LEU A 48 4.352 59.893 29.343 1.00 7.39 N ATOM 292 CA LEU A 48 3.694 60.732 28.324 1.00 8.31 C ATOM 293 C LEU A 48 4.627 61.135 27.151 1.00 8.79 C ATOM 294 O LEU A 48 4.147 61.489 26.075 1.00 8.37 O ATOM 295 CB LEU A 48 3.096 62.002 28.955 1.00 7.98 C ATOM 296 CG LEU A 48 1.921 61.846 29.933 1.00 7.77 C ATOM 297 CD1 LEU A 48 1.442 63.251 30.345 1.00 8.50 C ATOM 298 CD2 LEU A 48 0.771 61.027 29.303 1.00 5.89 C ATOM 299 H LEU A 48 5.111 60.282 29.819 1.00 0.00 H ATOM 300 N GLY A 49 5.940 61.098 27.372 1.00 8.65 N ATOM 301 CA GLY A 49 6.866 61.475 26.316 1.00 9.40 C ATOM 302 C GLY A 49 6.768 62.920 25.820 1.00 11.76 C ATOM 303 O GLY A 49 6.341 63.841 26.554 1.00 10.55 O ATOM 304 H GLY A 49 6.295 60.825 28.239 1.00 0.00 H ATOM 305 N THR A 50 7.108 63.118 24.544 1.00 9.16 N ATOM 306 CA THR A 50 7.122 64.451 23.946 1.00 10.27 C ATOM 307 C THR A 50 5.775 65.047 23.531 1.00 11.25 C ATOM 308 O THR A 50 5.617 66.264 23.549 1.00 11.84 O ATOM 309 CB THR A 50 8.036 64.497 22.692 1.00 11.24 C ATOM 310 OG1 THR A 50 7.555 63.541 21.734 1.00 11.42 O ATOM 311 CG2 THR A 50 9.510 64.180 23.055 1.00 11.55 C ATOM 312 H THR A 50 7.315 62.363 23.961 1.00 0.00 H ATOM 313 HG1 THR A 50 7.804 63.857 20.860 1.00 0.00 H ATOM 314 N LEU A 51 4.824 64.213 23.111 1.00 10.10 N ATOM 315 CA LEU A 51 3.532 64.731 22.649 1.00 10.83 C ATOM 316 C LEU A 51 2.388 64.758 23.671 1.00 10.76 C ATOM 317 O LEU A 51 1.497 65.620 23.596 1.00 9.44 O ATOM 318 CB LEU A 51 3.059 63.943 21.417 1.00 10.77 C ATOM 319 CG LEU A 51 4.065 63.734 20.285 1.00 10.61 C ATOM 320 CD1 LEU A 51 3.398 62.954 19.155 1.00 9.88 C ATOM 321 CD2 LEU A 51 4.563 65.084 19.796 1.00 11.62 C ATOM 322 H LEU A 51 5.012 63.245 23.107 1.00 0.00 H ATOM 323 N GLY A 52 2.381 63.769 24.564 1.00 10.20 N ATOM 324 CA GLY A 52 1.337 63.677 25.566 1.00 9.37 C ATOM 325 C GLY A 52 1.037 64.942 26.359 1.00 9.16 C ATOM 326 O GLY A 52 -0.130 65.321 26.451 1.00 9.74 O ATOM 327 H GLY A 52 3.108 63.110 24.583 1.00 0.00 H ATOM 328 N PRO A 53 2.049 65.639 26.914 1.00 9.59 N ATOM 329 CA PRO A 53 1.776 66.863 27.695 1.00 9.46 C ATOM 330 C PRO A 53 0.976 67.926 26.940 1.00 11.96 C ATOM 331 O PRO A 53 0.069 68.558 27.516 1.00 13.24 O ATOM 332 CB PRO A 53 3.171 67.355 28.078 1.00 9.57 C ATOM 333 CG PRO A 53 3.978 66.042 28.166 1.00 10.33 C ATOM 334 CD PRO A 53 3.490 65.304 26.928 1.00 8.62 C ATOM 335 N SER A 54 1.299 68.118 25.661 1.00 11.88 N ATOM 336 CA SER A 54 0.590 69.096 24.831 1.00 11.08 C ATOM 337 C SER A 54 -0.879 68.718 24.673 1.00 10.24 C ATOM 338 O SER A 54 -1.766 69.582 24.691 1.00 10.49 O ATOM 339 CB SER A 54 1.249 69.220 23.441 1.00 11.22 C ATOM 340 OG SER A 54 2.534 69.810 23.540 1.00 13.79 O ATOM 341 H SER A 54 2.062 67.656 25.248 1.00 0.00 H ATOM 342 HG SER A 54 2.808 69.957 22.626 1.00 0.00 H ATOM 343 N ILE A 55 -1.144 67.426 24.517 1.00 8.95 N ATOM 344 CA ILE A 55 -2.522 66.995 24.368 1.00 8.89 C ATOM 345 C ILE A 55 -3.224 67.211 25.704 1.00 10.19 C ATOM 346 O ILE A 55 -4.316 67.808 25.763 1.00 11.53 O ATOM 347 CB ILE A 55 -2.630 65.505 23.953 1.00 9.18 C ATOM 348 CG1 ILE A 55 -1.856 65.268 22.647 1.00 10.88 C ATOM 349 CG2 ILE A 55 -4.109 65.119 23.759 1.00 7.30 C ATOM 350 CD1 ILE A 55 -1.703 63.788 22.282 1.00 12.78 C ATOM 351 H ILE A 55 -0.414 66.774 24.494 1.00 0.00 H ATOM 352 N ALA A 56 -2.545 66.801 26.774 1.00 9.42 N ATOM 353 CA ALA A 56 -3.076 66.915 28.130 1.00 10.85 C ATOM 354 C ALA A 56 -3.517 68.343 28.454 1.00 10.58 C ATOM 355 O ALA A 56 -4.684 68.561 28.816 1.00 11.19 O ATOM 356 CB ALA A 56 -2.044 66.399 29.159 1.00 9.65 C ATOM 357 H ALA A 56 -1.659 66.408 26.642 1.00 0.00 H ATOM 358 N SER A 57 -2.623 69.311 28.253 1.00 11.14 N ATOM 359 CA SER A 57 -2.940 70.719 28.532 1.00 13.41 C ATOM 360 C SER A 57 -4.224 71.179 27.845 1.00 13.17 C ATOM 361 O SER A 57 -5.079 71.832 28.462 1.00 11.87 O ATOM 362 CB SER A 57 -1.799 71.633 28.068 1.00 16.80 C ATOM 363 OG SER A 57 -0.582 71.301 28.726 1.00 24.96 O ATOM 364 H SER A 57 -1.728 69.088 27.925 1.00 0.00 H ATOM 365 HG SER A 57 -0.641 71.622 29.633 1.00 0.00 H ATOM 366 N ASN A 58 -4.378 70.809 26.577 1.00 11.73 N ATOM 367 CA ASN A 58 -5.556 71.225 25.833 1.00 12.52 C ATOM 368 C ASN A 58 -6.831 70.549 26.309 1.00 12.74 C ATOM 369 O ASN A 58 -7.903 71.172 26.309 1.00 13.34 O ATOM 370 CB ASN A 58 -5.344 71.036 24.331 1.00 14.46 C ATOM 371 CG ASN A 58 -4.387 72.077 23.742 1.00 16.33 C ATOM 372 OD1 ASN A 58 -4.694 73.273 23.742 1.00 16.37 O ATOM 373 ND2 ASN A 58 -3.216 71.632 23.272 1.00 16.80 N ATOM 374 H ASN A 58 -3.710 70.232 26.144 1.00 0.00 H ATOM 375 HD21 ASN A 58 -2.624 72.286 22.846 1.00 0.00 H ATOM 376 HD22 ASN A 58 -3.001 70.672 23.355 1.00 0.00 H ATOM 377 N LEU A 59 -6.724 69.294 26.742 1.00 10.82 N ATOM 378 CA LEU A 59 -7.901 68.582 27.235 1.00 12.13 C ATOM 379 C LEU A 59 -8.365 69.240 28.534 1.00 13.59 C ATOM 380 O LEU A 59 -9.570 69.407 28.773 1.00 13.89 O ATOM 381 CB LEU A 59 -7.595 67.101 27.482 1.00 10.36 C ATOM 382 CG LEU A 59 -7.375 66.249 26.223 1.00 9.96 C ATOM 383 CD1 LEU A 59 -7.035 64.814 26.605 1.00 9.89 C ATOM 384 CD2 LEU A 59 -8.628 66.291 25.337 1.00 11.44 C ATOM 385 H LEU A 59 -5.853 68.835 26.738 1.00 0.00 H ATOM 386 N GLU A 60 -7.394 69.619 29.358 1.00 15.05 N ATOM 387 CA GLU A 60 -7.673 70.272 30.635 1.00 17.69 C ATOM 388 C GLU A 60 -8.377 71.611 30.411 1.00 17.92 C ATOM 389 O GLU A 60 -9.306 71.959 31.146 1.00 17.02 O ATOM 390 CB GLU A 60 -6.387 70.458 31.436 1.00 18.17 C ATOM 391 CG GLU A 60 -5.777 69.147 31.916 1.00 20.16 C ATOM 392 CD GLU A 60 -4.390 69.336 32.496 1.00 23.47 C ATOM 393 OE1 GLU A 60 -3.818 70.436 32.370 1.00 25.43 O ATOM 394 OE2 GLU A 60 -3.857 68.382 33.078 1.00 24.78 O ATOM 395 H GLU A 60 -6.463 69.426 29.117 1.00 0.00 H ATOM 396 N SER A 61 -7.959 72.336 29.381 1.00 18.01 N ATOM 397 CA SER A 61 -8.593 73.604 29.063 1.00 19.79 C ATOM 398 C SER A 61 -10.060 73.419 28.704 1.00 20.54 C ATOM 399 O SER A 61 -10.907 74.232 29.084 1.00 20.37 O ATOM 400 CB SER A 61 -7.891 74.271 27.895 1.00 20.84 C ATOM 401 OG SER A 61 -6.573 74.618 28.265 1.00 25.17 O ATOM 402 H SER A 61 -7.192 72.041 28.856 1.00 0.00 H ATOM 403 HG SER A 61 -6.212 74.955 27.426 1.00 0.00 H ATOM 404 N ALA A 62 -10.359 72.351 27.970 1.00 19.45 N ATOM 405 CA ALA A 62 -11.728 72.093 27.534 1.00 18.77 C ATOM 406 C ALA A 62 -12.655 71.534 28.607 1.00 19.32 C ATOM 407 O ALA A 62 -13.823 71.936 28.701 1.00 19.71 O ATOM 408 CB ALA A 62 -11.730 71.160 26.293 1.00 18.14 C ATOM 409 H ALA A 62 -9.649 71.721 27.704 1.00 0.00 H ATOM 410 N PHE A 63 -12.142 70.611 29.415 1.00 18.52 N ATOM 411 CA PHE A 63 -12.967 69.965 30.430 1.00 19.27 C ATOM 412 C PHE A 63 -12.687 70.371 31.871 1.00 20.23 C ATOM 413 O PHE A 63 -13.447 69.995 32.769 1.00 21.52 O ATOM 414 CB PHE A 63 -12.809 68.448 30.325 1.00 18.12 C ATOM 415 CG PHE A 63 -13.064 67.909 28.957 1.00 19.43 C ATOM 416 CD1 PHE A 63 -14.313 68.039 28.371 1.00 19.62 C ATOM 417 CD2 PHE A 63 -12.050 67.269 28.249 1.00 19.34 C ATOM 418 CE1 PHE A 63 -14.557 67.537 27.094 1.00 21.06 C ATOM 419 CE2 PHE A 63 -12.285 66.762 26.973 1.00 19.52 C ATOM 420 CZ PHE A 63 -13.537 66.895 26.395 1.00 20.38 C ATOM 421 H PHE A 63 -11.204 70.350 29.337 1.00 0.00 H ATOM 422 N GLY A 64 -11.622 71.135 32.088 1.00 21.13 N ATOM 423 CA GLY A 64 -11.247 71.538 33.434 1.00 23.22 C ATOM 424 C GLY A 64 -10.351 70.476 34.070 1.00 25.17 C ATOM 425 O GLY A 64 -10.474 69.286 33.750 1.00 25.25 O ATOM 426 H GLY A 64 -11.091 71.452 31.331 1.00 0.00 H ATOM 427 N LYS A 65 -9.468 70.881 34.982 1.00 25.70 N ATOM 428 CA LYS A 65 -8.562 69.934 35.630 1.00 28.43 C ATOM 429 C LYS A 65 -9.294 68.789 36.320 1.00 28.09 C ATOM 430 O LYS A 65 -8.830 67.654 36.306 1.00 28.50 O ATOM 431 CB LYS A 65 -7.649 70.644 36.636 1.00 31.26 C ATOM 432 CG LYS A 65 -6.338 71.188 36.051 1.00 35.03 C ATOM 433 CD LYS A 65 -5.226 70.115 35.959 1.00 37.91 C ATOM 434 CE LYS A 65 -3.859 70.761 35.620 1.00 39.78 C ATOM 435 NZ LYS A 65 -2.705 69.787 35.441 1.00 40.52 N ATOM 436 H LYS A 65 -9.428 71.840 35.192 1.00 0.00 H ATOM 437 HZ1 LYS A 65 -2.584 69.241 36.312 1.00 0.00 H ATOM 438 HZ2 LYS A 65 -2.897 69.128 34.661 1.00 0.00 H ATOM 439 HZ3 LYS A 65 -1.817 70.293 35.244 1.00 0.00 H ATOM 440 N ASP A 66 -10.442 69.081 36.912 1.00 26.53 N ATOM 441 CA ASP A 66 -11.188 68.047 37.603 1.00 26.08 C ATOM 442 C ASP A 66 -12.080 67.271 36.666 1.00 23.41 C ATOM 443 O ASP A 66 -12.602 66.218 37.041 1.00 23.32 O ATOM 444 CB ASP A 66 -12.032 68.656 38.723 1.00 31.35 C ATOM 445 CG ASP A 66 -11.187 69.394 39.747 1.00 35.78 C ATOM 446 OD1 ASP A 66 -10.543 68.716 40.591 1.00 36.78 O ATOM 447 OD2 ASP A 66 -11.143 70.658 39.689 1.00 39.11 O ATOM 448 H ASP A 66 -10.776 69.997 36.881 1.00 0.00 H ATOM 449 N GLY A 67 -12.231 67.775 35.444 1.00 19.52 N ATOM 450 CA GLY A 67 -13.099 67.123 34.479 1.00 17.36 C ATOM 451 C GLY A 67 -12.470 66.019 33.654 1.00 14.56 C ATOM 452 O GLY A 67 -13.183 65.204 33.060 1.00 14.00 O ATOM 453 H GLY A 67 -11.751 68.566 35.140 1.00 0.00 H ATOM 454 N VAL A 68 -11.144 65.970 33.629 1.00 12.22 N ATOM 455 CA VAL A 68 -10.452 64.949 32.844 1.00 12.72 C ATOM 456 C VAL A 68 -9.227 64.347 33.555 1.00 11.44 C ATOM 457 O VAL A 68 -8.460 65.055 34.219 1.00 12.31 O ATOM 458 CB VAL A 68 -10.036 65.520 31.449 1.00 12.45 C ATOM 459 CG1 VAL A 68 -9.174 66.779 31.628 1.00 12.59 C ATOM 460 CG2 VAL A 68 -9.286 64.457 30.628 1.00 11.84 C ATOM 461 H VAL A 68 -10.601 66.619 34.126 1.00 0.00 H ATOM 462 N TRP A 69 -9.100 63.029 33.487 1.00 9.40 N ATOM 463 CA TRP A 69 -7.953 62.375 34.080 1.00 9.71 C ATOM 464 C TRP A 69 -7.002 61.980 32.947 1.00 10.35 C ATOM 465 O TRP A 69 -7.425 61.372 31.954 1.00 10.81 O ATOM 466 CB TRP A 69 -8.361 61.133 34.875 1.00 10.87 C ATOM 467 CG TRP A 69 -8.878 61.433 36.274 1.00 13.22 C ATOM 468 CD1 TRP A 69 -8.899 62.654 36.911 1.00 13.74 C ATOM 469 CD2 TRP A 69 -9.480 60.501 37.184 1.00 14.07 C ATOM 470 NE1 TRP A 69 -9.484 62.528 38.149 1.00 14.70 N ATOM 471 CE2 TRP A 69 -9.846 61.221 38.338 1.00 15.10 C ATOM 472 CE3 TRP A 69 -9.746 59.126 37.119 1.00 14.43 C ATOM 473 CZ2 TRP A 69 -10.475 60.610 39.434 1.00 15.76 C ATOM 474 CZ3 TRP A 69 -10.373 58.519 38.206 1.00 16.70 C ATOM 475 CH2 TRP A 69 -10.728 59.264 39.348 1.00 15.84 C ATOM 476 H TRP A 69 -9.770 62.494 33.018 1.00 0.00 H ATOM 477 HE1 TRP A 69 -9.642 63.247 38.798 1.00 0.00 H ATOM 478 N ILE A 70 -5.737 62.358 33.093 1.00 8.07 N ATOM 479 CA ILE A 70 -4.702 62.041 32.116 1.00 7.80 C ATOM 480 C ILE A 70 -3.888 60.890 32.700 1.00 7.51 C ATOM 481 O ILE A 70 -3.321 61.011 33.797 1.00 6.10 O ATOM 482 CB ILE A 70 -3.739 63.230 31.902 1.00 9.84 C ATOM 483 CG1 ILE A 70 -4.522 64.530 31.645 1.00 9.80 C ATOM 484 CG2 ILE A 70 -2.750 62.897 30.773 1.00 8.51 C ATOM 485 CD1 ILE A 70 -5.481 64.453 30.481 1.00 13.57 C ATOM 486 H ILE A 70 -5.483 62.867 33.871 1.00 0.00 H ATOM 487 N GLN A 71 -3.851 59.777 31.971 1.00 6.48 N ATOM 488 CA GLN A 71 -3.129 58.586 32.404 1.00 6.98 C ATOM 489 C GLN A 71 -2.195 58.037 31.322 1.00 6.54 C ATOM 490 O GLN A 71 -2.664 57.541 30.303 1.00 7.08 O ATOM 491 CB GLN A 71 -4.119 57.479 32.788 1.00 7.40 C ATOM 492 CG GLN A 71 -3.454 56.159 33.201 1.00 9.08 C ATOM 493 CD GLN A 71 -2.583 56.309 34.432 1.00 11.04 C ATOM 494 OE1 GLN A 71 -1.369 56.079 34.391 1.00 12.97 O ATOM 495 NE2 GLN A 71 -3.193 56.746 35.535 1.00 8.69 N ATOM 496 H GLN A 71 -4.318 59.733 31.107 1.00 0.00 H ATOM 497 HE21 GLN A 71 -2.607 56.826 36.313 1.00 0.00 H ATOM 498 HE22 GLN A 71 -4.142 56.939 35.454 1.00 0.00 H ATOM 499 N GLY A 72 -0.892 58.103 31.569 1.00 6.77 N ATOM 500 CA GLY A 72 0.061 57.580 30.612 1.00 7.26 C ATOM 501 C GLY A 72 0.259 56.094 30.882 1.00 9.44 C ATOM 502 O GLY A 72 -0.049 55.595 31.977 1.00 9.79 O ATOM 503 H GLY A 72 -0.581 58.439 32.434 1.00 0.00 H ATOM 504 N VAL A 73 0.748 55.365 29.886 1.00 7.60 N ATOM 505 CA VAL A 73 0.975 53.940 30.058 1.00 7.31 C ATOM 506 C VAL A 73 2.412 53.728 30.510 1.00 9.20 C ATOM 507 O VAL A 73 3.355 53.887 29.727 1.00 9.51 O ATOM 508 CB VAL A 73 0.699 53.152 28.752 1.00 7.18 C ATOM 509 CG1 VAL A 73 0.948 51.670 28.973 1.00 6.22 C ATOM 510 CG2 VAL A 73 -0.743 53.420 28.265 1.00 6.15 C ATOM 511 H VAL A 73 0.941 55.800 29.029 1.00 0.00 H ATOM 512 N GLY A 74 2.581 53.421 31.788 1.00 8.60 N ATOM 513 CA GLY A 74 3.913 53.198 32.326 1.00 10.39 C ATOM 514 C GLY A 74 4.068 51.738 32.692 1.00 11.30 C ATOM 515 O GLY A 74 3.773 50.846 31.888 1.00 11.26 O ATOM 516 H GLY A 74 1.796 53.315 32.374 1.00 0.00 H ATOM 517 N GLY A 75 4.512 51.484 33.918 1.00 12.32 N ATOM 518 CA GLY A 75 4.663 50.114 34.374 1.00 12.57 C ATOM 519 C GLY A 75 5.556 49.263 33.496 1.00 11.87 C ATOM 520 O GLY A 75 6.717 49.602 33.278 1.00 13.43 O ATOM 521 H GLY A 75 4.738 52.241 34.492 1.00 0.00 H ATOM 522 N ALA A 76 4.990 48.188 32.955 1.00 13.01 N ATOM 523 CA ALA A 76 5.718 47.248 32.087 1.00 13.36 C ATOM 524 C ALA A 76 6.059 47.817 30.709 1.00 13.48 C ATOM 525 O ALA A 76 6.886 47.250 29.999 1.00 14.84 O ATOM 526 CB ALA A 76 4.923 45.927 31.929 1.00 12.13 C ATOM 527 H ALA A 76 4.055 48.008 33.146 1.00 0.00 H ATOM 528 N TYR A 77 5.405 48.900 30.306 1.00 11.71 N ATOM 529 CA TYR A 77 5.713 49.479 28.998 1.00 11.91 C ATOM 530 C TYR A 77 6.991 50.306 29.106 1.00 12.33 C ATOM 531 O TYR A 77 6.964 51.450 29.569 1.00 11.66 O ATOM 532 CB TYR A 77 4.553 50.333 28.467 1.00 10.47 C ATOM 533 CG TYR A 77 4.827 50.938 27.096 1.00 9.14 C ATOM 534 CD1 TYR A 77 5.468 50.199 26.100 1.00 8.45 C ATOM 535 CD2 TYR A 77 4.465 52.248 26.811 1.00 7.72 C ATOM 536 CE1 TYR A 77 5.740 50.752 24.852 1.00 9.33 C ATOM 537 CE2 TYR A 77 4.726 52.810 25.575 1.00 9.83 C ATOM 538 CZ TYR A 77 5.366 52.058 24.590 1.00 10.57 C ATOM 539 OH TYR A 77 5.622 52.615 23.345 1.00 10.41 O ATOM 540 H TYR A 77 4.730 49.335 30.869 1.00 0.00 H ATOM 541 HH TYR A 77 5.279 53.513 23.364 1.00 0.00 H ATOM 542 N ARG A 78 8.100 49.692 28.689 1.00 13.09 N ATOM 543 CA ARG A 78 9.434 50.297 28.716 1.00 14.71 C ATOM 544 C ARG A 78 9.747 51.125 27.463 1.00 12.54 C ATOM 545 O ARG A 78 10.796 51.770 27.401 1.00 11.94 O ATOM 546 CB ARG A 78 10.492 49.204 28.822 1.00 19.24 C ATOM 547 CG ARG A 78 10.301 48.235 29.966 1.00 25.93 C ATOM 548 CD ARG A 78 10.988 48.743 31.209 1.00 31.34 C ATOM 549 NE ARG A 78 10.242 49.802 31.886 1.00 36.43 N ATOM 550 CZ ARG A 78 9.473 49.609 32.962 1.00 40.18 C ATOM 551 NH1 ARG A 78 9.331 48.383 33.490 1.00 41.40 N ATOM 552 NH2 ARG A 78 8.902 50.655 33.571 1.00 41.63 N ATOM 553 H ARG A 78 8.005 48.782 28.360 1.00 0.00 H ATOM 554 HE ARG A 78 10.344 50.701 31.534 1.00 0.00 H ATOM 555 HH11 ARG A 78 9.791 47.596 33.083 1.00 0.00 H ATOM 556 HH12 ARG A 78 8.752 48.260 34.294 1.00 0.00 H ATOM 557 HH21 ARG A 78 9.064 51.579 33.226 1.00 0.00 H ATOM 558 HH22 ARG A 78 8.332 50.516 34.383 1.00 0.00 H ATOM 559 N ALA A 79 8.889 51.027 26.444 1.00 10.94 N ATOM 560 CA ALA A 79 9.060 51.765 25.185 1.00 9.05 C ATOM 561 C ALA A 79 10.426 51.458 24.581 1.00 9.79 C ATOM 562 O ALA A 79 11.170 52.365 24.191 1.00 10.47 O ATOM 563 CB ALA A 79 8.901 53.275 25.418 1.00 8.45 C ATOM 564 H ALA A 79 8.139 50.414 26.529 1.00 0.00 H ATOM 565 N THR A 80 10.776 50.174 24.559 1.00 10.51 N ATOM 566 CA THR A 80 12.053 49.720 24.009 1.00 11.30 C ATOM 567 C THR A 80 12.005 49.715 22.470 1.00 11.01 C ATOM 568 O THR A 80 11.130 49.079 21.863 1.00 9.16 O ATOM 569 CB THR A 80 12.378 48.306 24.506 1.00 13.99 C ATOM 570 OG1 THR A 80 12.341 48.309 25.935 1.00 16.73 O ATOM 571 CG2 THR A 80 13.769 47.888 24.050 1.00 16.62 C ATOM 572 H THR A 80 10.166 49.496 24.890 1.00 0.00 H ATOM 573 HG1 THR A 80 12.649 47.461 26.279 1.00 0.00 H ATOM 574 N LEU A 81 12.964 50.415 21.862 1.00 9.69 N ATOM 575 CA LEU A 81 13.052 50.539 20.409 1.00 11.76 C ATOM 576 C LEU A 81 12.934 49.195 19.665 1.00 12.56 C ATOM 577 O LEU A 81 12.160 49.061 18.714 1.00 13.37 O ATOM 578 CB LEU A 81 14.369 51.226 20.034 1.00 11.59 C ATOM 579 CG LEU A 81 14.569 51.588 18.564 1.00 11.06 C ATOM 580 CD1 LEU A 81 13.514 52.608 18.148 1.00 11.50 C ATOM 581 CD2 LEU A 81 15.991 52.116 18.362 1.00 11.63 C ATOM 582 H LEU A 81 13.602 50.919 22.420 1.00 0.00 H ATOM 583 N GLY A 82 13.674 48.198 20.142 1.00 13.20 N ATOM 584 CA GLY A 82 13.675 46.879 19.528 1.00 13.30 C ATOM 585 C GLY A 82 12.315 46.204 19.440 1.00 14.56 C ATOM 586 O GLY A 82 12.046 45.462 18.490 1.00 13.45 O ATOM 587 H GLY A 82 14.209 48.373 20.928 1.00 0.00 H ATOM 588 N ASP A 83 11.436 46.487 20.395 1.00 12.49 N ATOM 589 CA ASP A 83 10.112 45.875 20.389 1.00 12.35 C ATOM 590 C ASP A 83 9.245 46.252 19.203 1.00 10.60 C ATOM 591 O ASP A 83 8.198 45.633 18.984 1.00 11.05 O ATOM 592 CB ASP A 83 9.384 46.141 21.706 1.00 13.17 C ATOM 593 CG ASP A 83 10.045 45.434 22.884 1.00 14.97 C ATOM 594 OD1 ASP A 83 10.917 44.558 22.655 1.00 14.80 O ATOM 595 OD2 ASP A 83 9.699 45.757 24.041 1.00 16.34 O ATOM 596 H ASP A 83 11.654 47.133 21.099 1.00 0.00 H ATOM 597 N ASN A 84 9.672 47.250 18.431 1.00 11.34 N ATOM 598 CA ASN A 84 8.912 47.655 17.240 1.00 12.77 C ATOM 599 C ASN A 84 8.883 46.504 16.235 1.00 12.10 C ATOM 600 O ASN A 84 7.947 46.378 15.450 1.00 11.42 O ATOM 601 CB ASN A 84 9.558 48.859 16.543 1.00 15.27 C ATOM 602 CG ASN A 84 9.262 50.173 17.235 1.00 17.56 C ATOM 603 OD1 ASN A 84 8.119 50.622 17.271 1.00 15.80 O ATOM 604 ND2 ASN A 84 10.306 50.812 17.770 1.00 19.96 N ATOM 605 H ASN A 84 10.493 47.734 18.668 1.00 0.00 H ATOM 606 HD21 ASN A 84 10.207 51.618 18.325 1.00 0.00 H ATOM 607 HD22 ASN A 84 11.189 50.390 17.614 1.00 0.00 H ATOM 608 N ALA A 85 9.917 45.670 16.288 1.00 10.85 N ATOM 609 CA ALA A 85 10.068 44.540 15.386 1.00 12.44 C ATOM 610 C ALA A 85 9.239 43.305 15.755 1.00 13.33 C ATOM 611 O ALA A 85 9.182 42.338 14.979 1.00 13.89 O ATOM 612 CB ALA A 85 11.534 44.172 15.274 1.00 12.22 C ATOM 613 H ALA A 85 10.616 45.805 16.962 1.00 0.00 H ATOM 614 N LEU A 86 8.648 43.300 16.949 1.00 10.87 N ATOM 615 CA LEU A 86 7.828 42.153 17.385 1.00 11.41 C ATOM 616 C LEU A 86 6.537 42.096 16.567 1.00 11.04 C ATOM 617 O LEU A 86 6.082 43.124 16.062 1.00 11.08 O ATOM 618 CB LEU A 86 7.528 42.225 18.893 1.00 9.91 C ATOM 619 CG LEU A 86 8.759 42.050 19.780 1.00 11.13 C ATOM 620 CD1 LEU A 86 8.354 42.152 21.242 1.00 11.04 C ATOM 621 CD2 LEU A 86 9.422 40.705 19.503 1.00 12.00 C ATOM 622 H LEU A 86 8.722 44.086 17.517 1.00 0.00 H ATOM 623 N PRO A 87 5.916 40.902 16.459 1.00 11.69 N ATOM 624 CA PRO A 87 4.676 40.717 15.694 1.00 12.07 C ATOM 625 C PRO A 87 3.652 41.863 15.728 1.00 14.03 C ATOM 626 O PRO A 87 3.234 42.367 14.674 1.00 17.24 O ATOM 627 CB PRO A 87 4.113 39.426 16.276 1.00 10.97 C ATOM 628 CG PRO A 87 5.341 38.618 16.474 1.00 11.49 C ATOM 629 CD PRO A 87 6.343 39.623 17.065 1.00 11.70 C ATOM 630 N ARG A 88 3.253 42.288 16.916 1.00 12.25 N ATOM 631 CA ARG A 88 2.262 43.346 17.004 1.00 11.77 C ATOM 632 C ARG A 88 2.825 44.765 17.052 1.00 11.87 C ATOM 633 O ARG A 88 2.070 45.741 17.176 1.00 12.62 O ATOM 634 CB ARG A 88 1.335 43.053 18.173 1.00 12.78 C ATOM 635 CG ARG A 88 0.849 41.609 18.111 1.00 14.23 C ATOM 636 CD ARG A 88 -0.249 41.298 19.094 1.00 13.48 C ATOM 637 NE ARG A 88 -1.506 41.942 18.729 1.00 11.74 N ATOM 638 CZ ARG A 88 -2.604 41.847 19.463 1.00 11.28 C ATOM 639 NH1 ARG A 88 -2.558 41.166 20.599 1.00 11.52 N ATOM 640 NH2 ARG A 88 -3.726 42.446 19.083 1.00 11.35 N ATOM 641 H ARG A 88 3.592 41.849 17.722 1.00 0.00 H ATOM 642 HE ARG A 88 -1.524 42.491 17.925 1.00 0.00 H ATOM 643 HH11 ARG A 88 -1.710 40.732 20.904 1.00 0.00 H ATOM 644 HH12 ARG A 88 -3.393 41.051 21.115 1.00 0.00 H ATOM 645 HH21 ARG A 88 -3.735 42.990 18.244 1.00 0.00 H ATOM 646 HH22 ARG A 88 -4.546 42.381 19.645 1.00 0.00 H ATOM 647 N GLY A 89 4.140 44.888 16.903 1.00 9.11 N ATOM 648 CA GLY A 89 4.744 46.207 16.924 1.00 9.72 C ATOM 649 C GLY A 89 5.082 46.703 18.322 1.00 9.57 C ATOM 650 O GLY A 89 5.437 47.877 18.515 1.00 8.67 O ATOM 651 H GLY A 89 4.701 44.105 16.770 1.00 0.00 H ATOM 652 N THR A 90 4.949 45.807 19.296 1.00 9.19 N ATOM 653 CA THR A 90 5.277 46.099 20.695 1.00 9.31 C ATOM 654 C THR A 90 5.283 44.774 21.451 1.00 9.40 C ATOM 655 O THR A 90 4.964 43.729 20.868 1.00 11.31 O ATOM 656 CB THR A 90 4.281 47.099 21.352 1.00 9.20 C ATOM 657 OG1 THR A 90 4.809 47.523 22.615 1.00 9.42 O ATOM 658 CG2 THR A 90 2.900 46.447 21.562 1.00 9.37 C ATOM 659 H THR A 90 4.641 44.912 19.088 1.00 0.00 H ATOM 660 HG1 THR A 90 5.571 48.102 22.458 1.00 0.00 H ATOM 661 N SER A 91 5.639 44.804 22.731 1.00 10.56 N ATOM 662 CA SER A 91 5.695 43.576 23.533 1.00 11.11 C ATOM 663 C SER A 91 4.342 43.132 24.087 1.00 10.88 C ATOM 664 O SER A 91 3.437 43.953 24.265 1.00 8.58 O ATOM 665 CB SER A 91 6.655 43.764 24.707 1.00 12.86 C ATOM 666 OG SER A 91 6.145 44.719 25.627 1.00 14.17 O ATOM 667 H SER A 91 5.850 45.687 23.105 1.00 0.00 H ATOM 668 HG SER A 91 5.660 45.364 25.088 1.00 0.00 H ATOM 669 N SER A 92 4.251 41.849 24.437 1.00 11.45 N ATOM 670 CA SER A 92 3.032 41.296 25.035 1.00 13.23 C ATOM 671 C SER A 92 2.821 41.928 26.419 1.00 11.14 C ATOM 672 O SER A 92 1.688 42.206 26.814 1.00 10.87 O ATOM 673 CB SER A 92 3.148 39.776 25.202 1.00 15.93 C ATOM 674 OG SER A 92 3.202 39.129 23.945 1.00 21.32 O ATOM 675 H SER A 92 5.017 41.261 24.287 1.00 0.00 H ATOM 676 HG SER A 92 4.056 39.174 23.496 1.00 0.00 H ATOM 677 N ALA A 93 3.925 42.166 27.131 1.00 10.86 N ATOM 678 CA ALA A 93 3.885 42.777 28.468 1.00 11.64 C ATOM 679 C ALA A 93 3.266 44.167 28.381 1.00 11.22 C ATOM 680 O ALA A 93 2.420 44.528 29.198 1.00 11.93 O ATOM 681 CB ALA A 93 5.300 42.871 29.071 1.00 11.95 C ATOM 682 H ALA A 93 4.790 41.876 26.766 1.00 0.00 H ATOM 683 N ALA A 94 3.662 44.934 27.366 1.00 10.52 N ATOM 684 CA ALA A 94 3.121 46.278 27.192 1.00 9.62 C ATOM 685 C ALA A 94 1.605 46.267 26.917 1.00 9.46 C ATOM 686 O ALA A 94 0.855 47.056 27.506 1.00 8.88 O ATOM 687 CB ALA A 94 3.884 47.019 26.088 1.00 10.05 C ATOM 688 H ALA A 94 4.348 44.626 26.743 1.00 0.00 H ATOM 689 N ILE A 95 1.152 45.362 26.057 1.00 8.88 N ATOM 690 CA ILE A 95 -0.272 45.258 25.739 1.00 8.38 C ATOM 691 C ILE A 95 -1.042 44.926 27.029 1.00 11.32 C ATOM 692 O ILE A 95 -2.100 45.510 27.306 1.00 10.42 O ATOM 693 CB ILE A 95 -0.522 44.155 24.676 1.00 7.90 C ATOM 694 CG1 ILE A 95 0.162 44.551 23.358 1.00 8.04 C ATOM 695 CG2 ILE A 95 -2.037 43.908 24.485 1.00 7.98 C ATOM 696 CD1 ILE A 95 0.188 43.448 22.301 1.00 9.28 C ATOM 697 H ILE A 95 1.793 44.775 25.605 1.00 0.00 H ATOM 698 N ARG A 96 -0.479 44.021 27.830 1.00 12.08 N ATOM 699 CA ARG A 96 -1.112 43.626 29.095 1.00 15.00 C ATOM 700 C ARG A 96 -1.293 44.852 30.009 1.00 12.74 C ATOM 701 O ARG A 96 -2.364 45.077 30.587 1.00 12.30 O ATOM 702 CB ARG A 96 -0.286 42.533 29.786 1.00 19.50 C ATOM 703 CG ARG A 96 -0.792 42.165 31.182 1.00 27.31 C ATOM 704 CD ARG A 96 -0.388 40.738 31.569 1.00 33.32 C ATOM 705 NE ARG A 96 -1.004 39.768 30.657 1.00 39.14 N ATOM 706 CZ ARG A 96 -1.333 38.513 30.980 1.00 42.40 C ATOM 707 NH1 ARG A 96 -1.102 38.036 32.207 1.00 43.82 N ATOM 708 NH2 ARG A 96 -1.946 37.741 30.081 1.00 43.84 N ATOM 709 H ARG A 96 0.376 43.622 27.563 1.00 0.00 H ATOM 710 HE ARG A 96 -1.202 40.065 29.749 1.00 0.00 H ATOM 711 HH11 ARG A 96 -0.675 38.593 32.920 1.00 0.00 H ATOM 712 HH12 ARG A 96 -1.354 37.088 32.404 1.00 0.00 H ATOM 713 HH21 ARG A 96 -2.158 38.124 29.185 1.00 0.00 H ATOM 714 HH22 ARG A 96 -2.194 36.800 30.310 1.00 0.00 H ATOM 715 N GLU A 97 -0.258 45.674 30.068 1.00 10.31 N ATOM 716 CA GLU A 97 -0.262 46.885 30.874 1.00 10.03 C ATOM 717 C GLU A 97 -1.362 47.872 30.418 1.00 10.01 C ATOM 718 O GLU A 97 -2.141 48.360 31.237 1.00 8.68 O ATOM 719 CB GLU A 97 1.123 47.540 30.794 1.00 10.58 C ATOM 720 CG GLU A 97 1.328 48.750 31.684 1.00 13.99 C ATOM 721 CD GLU A 97 1.413 48.392 33.156 1.00 15.33 C ATOM 722 OE1 GLU A 97 2.092 47.400 33.486 1.00 14.08 O ATOM 723 OE2 GLU A 97 0.798 49.117 33.969 1.00 17.90 O ATOM 724 H GLU A 97 0.544 45.450 29.560 1.00 0.00 H ATOM 725 N MET A 98 -1.473 48.119 29.114 1.00 9.35 N ATOM 726 CA MET A 98 -2.480 49.059 28.634 1.00 8.35 C ATOM 727 C MET A 98 -3.899 48.510 28.794 1.00 9.57 C ATOM 728 O MET A 98 -4.827 49.271 29.117 1.00 9.19 O ATOM 729 CB MET A 98 -2.197 49.499 27.189 1.00 9.10 C ATOM 730 CG MET A 98 -3.077 50.653 26.715 1.00 11.06 C ATOM 731 SD MET A 98 -2.507 51.460 25.183 1.00 12.35 S ATOM 732 CE MET A 98 -3.477 52.985 25.155 1.00 10.47 C ATOM 733 H MET A 98 -0.887 47.682 28.465 1.00 0.00 H ATOM 734 N LEU A 99 -4.066 47.203 28.578 1.00 9.51 N ATOM 735 CA LEU A 99 -5.374 46.553 28.755 1.00 11.22 C ATOM 736 C LEU A 99 -5.810 46.726 30.215 1.00 10.51 C ATOM 737 O LEU A 99 -6.973 47.002 30.505 1.00 10.93 O ATOM 738 CB LEU A 99 -5.289 45.053 28.451 1.00 12.08 C ATOM 739 CG LEU A 99 -5.375 44.657 26.969 1.00 13.91 C ATOM 740 CD1 LEU A 99 -5.048 43.165 26.762 1.00 14.53 C ATOM 741 CD2 LEU A 99 -6.787 44.976 26.459 1.00 15.04 C ATOM 742 H LEU A 99 -3.302 46.681 28.265 1.00 0.00 H ATOM 743 N GLY A 100 -4.851 46.571 31.119 1.00 10.47 N ATOM 744 CA GLY A 100 -5.127 46.724 32.537 1.00 10.85 C ATOM 745 C GLY A 100 -5.586 48.128 32.895 1.00 11.62 C ATOM 746 O GLY A 100 -6.405 48.301 33.807 1.00 11.41 O ATOM 747 H GLY A 100 -3.954 46.333 30.802 1.00 0.00 H ATOM 748 N LEU A 101 -5.055 49.136 32.206 1.00 9.63 N ATOM 749 CA LEU A 101 -5.459 50.513 32.476 1.00 9.09 C ATOM 750 C LEU A 101 -6.897 50.766 32.009 1.00 9.19 C ATOM 751 O LEU A 101 -7.666 51.435 32.702 1.00 8.94 O ATOM 752 CB LEU A 101 -4.479 51.511 31.850 1.00 8.02 C ATOM 753 CG LEU A 101 -3.108 51.537 32.539 1.00 8.57 C ATOM 754 CD1 LEU A 101 -2.118 52.397 31.758 1.00 7.81 C ATOM 755 CD2 LEU A 101 -3.264 52.072 33.958 1.00 8.73 C ATOM 756 H LEU A 101 -4.393 48.962 31.505 1.00 0.00 H ATOM 757 N PHE A 102 -7.270 50.222 30.851 1.00 9.71 N ATOM 758 CA PHE A 102 -8.639 50.392 30.357 1.00 10.43 C ATOM 759 C PHE A 102 -9.589 49.684 31.333 1.00 11.51 C ATOM 760 O PHE A 102 -10.697 50.167 31.601 1.00 11.96 O ATOM 761 CB PHE A 102 -8.811 49.785 28.956 1.00 10.65 C ATOM 762 CG PHE A 102 -8.261 50.645 27.838 1.00 11.64 C ATOM 763 CD1 PHE A 102 -8.821 51.881 27.552 1.00 11.74 C ATOM 764 CD2 PHE A 102 -7.202 50.194 27.055 1.00 12.99 C ATOM 765 CE1 PHE A 102 -8.339 52.656 26.507 1.00 13.34 C ATOM 766 CE2 PHE A 102 -6.706 50.963 25.995 1.00 12.27 C ATOM 767 CZ PHE A 102 -7.273 52.194 25.723 1.00 12.89 C ATOM 768 H PHE A 102 -6.618 49.723 30.314 1.00 0.00 H ATOM 769 N GLN A 103 -9.173 48.513 31.815 1.00 12.19 N ATOM 770 CA GLN A 103 -9.977 47.748 32.766 1.00 15.20 C ATOM 771 C GLN A 103 -10.139 48.510 34.078 1.00 14.64 C ATOM 772 O GLN A 103 -11.252 48.584 34.628 1.00 13.45 O ATOM 773 CB GLN A 103 -9.376 46.361 32.987 1.00 17.33 C ATOM 774 CG GLN A 103 -9.709 45.376 31.849 1.00 23.17 C ATOM 775 CD GLN A 103 -8.630 44.312 31.656 1.00 27.25 C ATOM 776 OE1 GLN A 103 -7.870 43.993 32.592 1.00 29.92 O ATOM 777 NE2 GLN A 103 -8.513 43.799 30.420 1.00 28.85 N ATOM 778 H GLN A 103 -8.315 48.146 31.499 1.00 0.00 H ATOM 779 HE21 GLN A 103 -7.883 43.058 30.332 1.00 0.00 H ATOM 780 HE22 GLN A 103 -9.036 44.129 29.676 1.00 0.00 H ATOM 781 N GLN A 104 -9.050 49.122 34.543 1.00 13.75 N ATOM 782 CA GLN A 104 -9.101 49.925 35.766 1.00 15.21 C ATOM 783 C GLN A 104 -10.052 51.111 35.595 1.00 14.22 C ATOM 784 O GLN A 104 -10.851 51.414 36.490 1.00 14.32 O ATOM 785 CB GLN A 104 -7.716 50.440 36.158 1.00 16.62 C ATOM 786 CG GLN A 104 -6.836 49.383 36.777 1.00 23.24 C ATOM 787 CD GLN A 104 -5.519 49.934 37.305 1.00 25.11 C ATOM 788 OE1 GLN A 104 -5.500 50.898 38.071 1.00 27.18 O ATOM 789 NE2 GLN A 104 -4.406 49.314 36.901 1.00 28.17 N ATOM 790 H GLN A 104 -8.202 49.023 34.054 1.00 0.00 H ATOM 791 HE21 GLN A 104 -3.566 49.665 37.257 1.00 0.00 H ATOM 792 HE22 GLN A 104 -4.468 48.563 36.282 1.00 0.00 H ATOM 793 N ALA A 105 -9.996 51.758 34.434 1.00 12.17 N ATOM 794 CA ALA A 105 -10.857 52.904 34.162 1.00 11.98 C ATOM 795 C ALA A 105 -12.322 52.499 34.183 1.00 12.31 C ATOM 796 O ALA A 105 -13.158 53.185 34.779 1.00 12.50 O ATOM 797 CB ALA A 105 -10.510 53.524 32.806 1.00 11.50 C ATOM 798 H ALA A 105 -9.355 51.480 33.741 1.00 0.00 H ATOM 799 N ASN A 106 -12.616 51.385 33.524 1.00 12.14 N ATOM 800 CA ASN A 106 -13.972 50.866 33.429 1.00 15.28 C ATOM 801 C ASN A 106 -14.545 50.519 34.819 1.00 16.27 C ATOM 802 O ASN A 106 -15.718 50.780 35.107 1.00 15.92 O ATOM 803 CB ASN A 106 -13.970 49.642 32.516 1.00 16.26 C ATOM 804 CG ASN A 106 -15.350 49.054 32.325 1.00 17.18 C ATOM 805 OD1 ASN A 106 -16.266 49.725 31.866 1.00 17.07 O ATOM 806 ND2 ASN A 106 -15.500 47.784 32.681 1.00 18.91 N ATOM 807 H ASN A 106 -11.896 50.928 33.043 1.00 0.00 H ATOM 808 HD21 ASN A 106 -16.407 47.433 32.582 1.00 0.00 H ATOM 809 HD22 ASN A 106 -14.739 47.267 33.027 1.00 0.00 H ATOM 810 N THR A 107 -13.690 49.969 35.677 1.00 17.54 N ATOM 811 CA THR A 107 -14.071 49.590 37.035 1.00 19.30 C ATOM 812 C THR A 107 -14.195 50.797 37.979 1.00 19.01 C ATOM 813 O THR A 107 -15.231 50.995 38.613 1.00 18.45 O ATOM 814 CB THR A 107 -13.058 48.584 37.618 1.00 21.26 C ATOM 815 OG1 THR A 107 -13.028 47.412 36.790 1.00 24.43 O ATOM 816 CG2 THR A 107 -13.444 48.187 39.039 1.00 23.31 C ATOM 817 H THR A 107 -12.775 49.804 35.389 1.00 0.00 H ATOM 818 HG1 THR A 107 -12.458 47.617 36.047 1.00 0.00 H ATOM 819 N LYS A 108 -13.134 51.585 38.080 1.00 17.61 N ATOM 820 CA LYS A 108 -13.122 52.770 38.928 1.00 17.94 C ATOM 821 C LYS A 108 -14.198 53.800 38.532 1.00 18.56 C ATOM 822 O LYS A 108 -14.915 54.317 39.394 1.00 18.96 O ATOM 823 CB LYS A 108 -11.742 53.419 38.857 1.00 18.68 C ATOM 824 CG LYS A 108 -11.206 53.960 40.177 1.00 20.87 C ATOM 825 CD LYS A 108 -9.694 54.220 40.091 1.00 19.26 C ATOM 826 CE LYS A 108 -9.106 54.629 41.424 1.00 20.01 C ATOM 827 NZ LYS A 108 -7.668 54.995 41.350 1.00 17.15 N ATOM 828 H LYS A 108 -12.325 51.348 37.606 1.00 0.00 H ATOM 829 HZ1 LYS A 108 -7.139 54.188 40.960 1.00 0.00 H ATOM 830 HZ2 LYS A 108 -7.526 55.832 40.750 1.00 0.00 H ATOM 831 HZ3 LYS A 108 -7.329 55.195 42.315 1.00 0.00 H ATOM 832 N CYS A 109 -14.335 54.075 37.236 1.00 17.93 N ATOM 833 CA CYS A 109 -15.304 55.065 36.760 1.00 17.81 C ATOM 834 C CYS A 109 -16.154 54.555 35.593 1.00 18.35 C ATOM 835 O CYS A 109 -15.926 54.913 34.431 1.00 16.91 O ATOM 836 CB CYS A 109 -14.557 56.341 36.353 1.00 18.23 C ATOM 837 SG CYS A 109 -13.442 56.975 37.660 1.00 19.45 S ATOM 838 H CYS A 109 -13.779 53.627 36.568 1.00 0.00 H ATOM 839 N PRO A 110 -17.194 53.764 35.895 1.00 18.86 N ATOM 840 CA PRO A 110 -18.047 53.229 34.827 1.00 19.31 C ATOM 841 C PRO A 110 -18.776 54.228 33.927 1.00 18.64 C ATOM 842 O PRO A 110 -19.098 53.892 32.791 1.00 20.87 O ATOM 843 CB PRO A 110 -19.012 52.297 35.583 1.00 20.12 C ATOM 844 CG PRO A 110 -19.061 52.868 36.959 1.00 19.63 C ATOM 845 CD PRO A 110 -17.614 53.253 37.210 1.00 20.32 C ATOM 846 N ASP A 111 -19.025 55.448 34.398 1.00 18.05 N ATOM 847 CA ASP A 111 -19.735 56.430 33.570 1.00 18.49 C ATOM 848 C ASP A 111 -18.859 57.412 32.809 1.00 16.03 C ATOM 849 O ASP A 111 -19.360 58.322 32.140 1.00 15.36 O ATOM 850 CB ASP A 111 -20.725 57.211 34.423 1.00 22.34 C ATOM 851 CG ASP A 111 -21.759 56.317 35.045 1.00 26.24 C ATOM 852 OD1 ASP A 111 -22.230 55.393 34.326 1.00 27.65 O ATOM 853 OD2 ASP A 111 -22.074 56.525 36.244 1.00 28.14 O ATOM 854 H ASP A 111 -18.735 55.693 35.310 1.00 0.00 H ATOM 855 N ALA A 112 -17.551 57.258 32.940 1.00 13.68 N ATOM 856 CA ALA A 112 -16.642 58.152 32.251 1.00 12.40 C ATOM 857 C ALA A 112 -16.512 57.767 30.770 1.00 11.64 C ATOM 858 O ALA A 112 -16.612 56.598 30.400 1.00 10.94 O ATOM 859 CB ALA A 112 -15.273 58.135 32.934 1.00 11.28 C ATOM 860 H ALA A 112 -17.198 56.546 33.507 1.00 0.00 H ATOM 861 N THR A 113 -16.351 58.778 29.931 1.00 10.16 N ATOM 862 CA THR A 113 -16.158 58.569 28.502 1.00 9.96 C ATOM 863 C THR A 113 -14.645 58.414 28.367 1.00 8.91 C ATOM 864 O THR A 113 -13.891 59.163 28.990 1.00 9.50 O ATOM 865 CB THR A 113 -16.599 59.809 27.699 1.00 10.61 C ATOM 866 OG1 THR A 113 -17.985 60.088 27.971 1.00 11.75 O ATOM 867 CG2 THR A 113 -16.392 59.570 26.192 1.00 10.43 C ATOM 868 H THR A 113 -16.340 59.698 30.283 1.00 0.00 H ATOM 869 HG1 THR A 113 -18.068 60.288 28.908 1.00 0.00 H ATOM 870 N LEU A 114 -14.192 57.439 27.592 1.00 6.70 N ATOM 871 CA LEU A 114 -12.754 57.254 27.452 1.00 7.97 C ATOM 872 C LEU A 114 -12.286 57.773 26.103 1.00 7.16 C ATOM 873 O LEU A 114 -13.073 57.868 25.164 1.00 7.93 O ATOM 874 CB LEU A 114 -12.385 55.765 27.550 1.00 10.12 C ATOM 875 CG LEU A 114 -12.974 54.927 28.700 1.00 12.65 C ATOM 876 CD1 LEU A 114 -12.534 53.459 28.577 1.00 12.81 C ATOM 877 CD2 LEU A 114 -12.546 55.510 30.040 1.00 12.72 C ATOM 878 H LEU A 114 -14.804 56.856 27.085 1.00 0.00 H ATOM 879 N ILE A 115 -11.013 58.142 26.041 1.00 6.99 N ATOM 880 CA ILE A 115 -10.364 58.574 24.796 1.00 5.68 C ATOM 881 C ILE A 115 -8.941 58.032 24.895 1.00 5.75 C ATOM 882 O ILE A 115 -8.430 57.810 26.000 1.00 7.62 O ATOM 883 CB ILE A 115 -10.389 60.102 24.560 1.00 5.68 C ATOM 884 CG1 ILE A 115 -10.207 60.877 25.878 1.00 6.18 C ATOM 885 CG2 ILE A 115 -11.693 60.503 23.819 1.00 5.23 C ATOM 886 CD1 ILE A 115 -9.862 62.350 25.672 1.00 7.03 C ATOM 887 H ILE A 115 -10.449 58.122 26.855 1.00 0.00 H ATOM 888 N ALA A 116 -8.306 57.766 23.762 1.00 6.21 N ATOM 889 CA ALA A 116 -6.965 57.196 23.808 1.00 6.16 C ATOM 890 C ALA A 116 -6.088 57.758 22.710 1.00 6.03 C ATOM 891 O ALA A 116 -6.585 58.408 21.778 1.00 5.88 O ATOM 892 CB ALA A 116 -7.039 55.672 23.675 1.00 6.74 C ATOM 893 H ALA A 116 -8.715 57.949 22.881 1.00 0.00 H ATOM 894 N GLY A 117 -4.793 57.486 22.819 1.00 6.63 N ATOM 895 CA GLY A 117 -3.870 57.964 21.811 1.00 7.32 C ATOM 896 C GLY A 117 -2.526 57.298 21.986 1.00 7.95 C ATOM 897 O GLY A 117 -2.255 56.697 23.032 1.00 7.76 O ATOM 898 H GLY A 117 -4.441 56.976 23.581 1.00 0.00 H ATOM 899 N GLY A 118 -1.680 57.398 20.967 1.00 5.39 N ATOM 900 CA GLY A 118 -0.368 56.799 21.066 1.00 4.77 C ATOM 901 C GLY A 118 0.513 57.355 19.967 1.00 6.14 C ATOM 902 O GLY A 118 0.009 57.813 18.928 1.00 5.13 O ATOM 903 H GLY A 118 -1.945 57.853 20.133 1.00 0.00 H ATOM 904 N TYR A 119 1.817 57.323 20.195 1.00 4.91 N ATOM 905 CA TYR A 119 2.749 57.829 19.204 1.00 6.48 C ATOM 906 C TYR A 119 3.777 56.756 18.917 1.00 7.38 C ATOM 907 O TYR A 119 4.306 56.123 19.854 1.00 5.26 O ATOM 908 CB TYR A 119 3.449 59.085 19.729 1.00 6.70 C ATOM 909 CG TYR A 119 4.722 59.475 18.991 1.00 8.76 C ATOM 910 CD1 TYR A 119 4.743 59.604 17.591 1.00 8.99 C ATOM 911 CD2 TYR A 119 5.905 59.730 19.697 1.00 9.65 C ATOM 912 CE1 TYR A 119 5.908 59.987 16.917 1.00 9.42 C ATOM 913 CE2 TYR A 119 7.074 60.111 19.040 1.00 11.13 C ATOM 914 CZ TYR A 119 7.076 60.243 17.643 1.00 12.07 C ATOM 915 OH TYR A 119 8.245 60.648 16.991 1.00 12.47 O ATOM 916 H TYR A 119 2.154 56.947 21.040 1.00 0.00 H ATOM 917 HH TYR A 119 9.007 60.593 17.598 1.00 0.00 H ATOM 918 N SER A 120 4.010 56.506 17.626 1.00 6.87 N ATOM 919 CA SER A 120 5.027 55.556 17.219 1.00 6.25 C ATOM 920 C SER A 120 4.755 54.160 17.804 1.00 6.19 C ATOM 921 O SER A 120 3.698 53.578 17.529 1.00 7.60 O ATOM 922 CB SER A 120 6.377 56.132 17.658 1.00 7.37 C ATOM 923 OG SER A 120 7.446 55.494 17.008 1.00 12.37 O ATOM 924 H SER A 120 3.471 56.952 16.941 1.00 0.00 H ATOM 925 HG SER A 120 7.407 54.564 17.266 1.00 0.00 H ATOM 926 N GLN A 121 5.690 53.603 18.577 1.00 7.16 N ATOM 927 CA GLN A 121 5.457 52.286 19.179 1.00 6.22 C ATOM 928 C GLN A 121 4.171 52.349 20.020 1.00 5.78 C ATOM 929 O GLN A 121 3.399 51.388 20.057 1.00 6.70 O ATOM 930 CB GLN A 121 6.642 51.829 20.049 1.00 6.45 C ATOM 931 CG GLN A 121 6.390 50.414 20.598 1.00 8.38 C ATOM 932 CD GLN A 121 7.488 49.835 21.489 1.00 10.25 C ATOM 933 OE1 GLN A 121 7.221 48.904 22.270 1.00 10.07 O ATOM 934 NE2 GLN A 121 8.719 50.333 21.357 1.00 8.73 N ATOM 935 H GLN A 121 6.542 54.033 18.782 1.00 0.00 H ATOM 936 HE21 GLN A 121 9.367 49.886 21.925 1.00 0.00 H ATOM 937 HE22 GLN A 121 8.949 51.047 20.744 1.00 0.00 H ATOM 938 N GLY A 122 3.932 53.503 20.655 1.00 6.78 N ATOM 939 CA GLY A 122 2.735 53.703 21.458 1.00 6.14 C ATOM 940 C GLY A 122 1.461 53.619 20.623 1.00 7.15 C ATOM 941 O GLY A 122 0.397 53.241 21.127 1.00 7.42 O ATOM 942 H GLY A 122 4.571 54.240 20.612 1.00 0.00 H ATOM 943 N ALA A 123 1.546 53.997 19.346 1.00 7.24 N ATOM 944 CA ALA A 123 0.383 53.917 18.452 1.00 5.69 C ATOM 945 C ALA A 123 0.074 52.437 18.144 1.00 6.10 C ATOM 946 O ALA A 123 -1.094 52.030 18.053 1.00 4.95 O ATOM 947 CB ALA A 123 0.641 54.712 17.158 1.00 4.87 C ATOM 948 H ALA A 123 2.400 54.320 18.991 1.00 0.00 H ATOM 949 N ALA A 124 1.129 51.644 17.960 1.00 5.00 N ATOM 950 CA ALA A 124 0.972 50.204 17.718 1.00 5.77 C ATOM 951 C ALA A 124 0.369 49.568 18.996 1.00 6.81 C ATOM 952 O ALA A 124 -0.549 48.735 18.925 1.00 7.55 O ATOM 953 CB ALA A 124 2.332 49.561 17.412 1.00 5.02 C ATOM 954 H ALA A 124 2.040 52.012 17.979 1.00 0.00 H ATOM 955 N LEU A 125 0.902 49.969 20.151 1.00 6.91 N ATOM 956 CA LEU A 125 0.426 49.485 21.451 1.00 7.30 C ATOM 957 C LEU A 125 -1.061 49.816 21.621 1.00 6.31 C ATOM 958 O LEU A 125 -1.867 48.952 21.991 1.00 7.22 O ATOM 959 CB LEU A 125 1.232 50.132 22.584 1.00 7.11 C ATOM 960 CG LEU A 125 0.739 49.890 24.021 1.00 7.83 C ATOM 961 CD1 LEU A 125 0.585 48.376 24.282 1.00 6.64 C ATOM 962 CD2 LEU A 125 1.722 50.517 25.019 1.00 6.55 C ATOM 963 H LEU A 125 1.655 50.582 20.109 1.00 0.00 H ATOM 964 N ALA A 126 -1.423 51.062 21.333 1.00 6.27 N ATOM 965 CA ALA A 126 -2.810 51.476 21.453 1.00 6.86 C ATOM 966 C ALA A 126 -3.705 50.614 20.550 1.00 7.96 C ATOM 967 O ALA A 126 -4.724 50.082 20.998 1.00 7.94 O ATOM 968 CB ALA A 126 -2.947 52.946 21.105 1.00 8.77 C ATOM 969 H ALA A 126 -0.744 51.710 21.058 1.00 0.00 H ATOM 970 N ALA A 127 -3.303 50.436 19.291 1.00 7.36 N ATOM 971 CA ALA A 127 -4.089 49.636 18.344 1.00 6.32 C ATOM 972 C ALA A 127 -4.226 48.183 18.792 1.00 5.32 C ATOM 973 O ALA A 127 -5.307 47.603 18.697 1.00 7.61 O ATOM 974 CB ALA A 127 -3.461 49.685 16.958 1.00 7.97 C ATOM 975 H ALA A 127 -2.481 50.866 18.982 1.00 0.00 H ATOM 976 N ALA A 128 -3.130 47.592 19.264 1.00 6.05 N ATOM 977 CA ALA A 128 -3.139 46.201 19.716 1.00 7.86 C ATOM 978 C ALA A 128 -4.063 46.020 20.933 1.00 8.43 C ATOM 979 O ALA A 128 -4.859 45.079 20.986 1.00 9.16 O ATOM 980 CB ALA A 128 -1.721 45.748 20.065 1.00 7.96 C ATOM 981 H ALA A 128 -2.302 48.116 19.301 1.00 0.00 H ATOM 982 N SER A 129 -3.946 46.932 21.897 1.00 7.55 N ATOM 983 CA SER A 129 -4.764 46.892 23.122 1.00 8.67 C ATOM 984 C SER A 129 -6.251 46.985 22.815 1.00 8.15 C ATOM 985 O SER A 129 -7.047 46.150 23.264 1.00 8.66 O ATOM 986 CB SER A 129 -4.384 48.053 24.050 1.00 8.71 C ATOM 987 OG SER A 129 -3.037 47.929 24.463 1.00 13.25 O ATOM 988 H SER A 129 -3.307 47.666 21.792 1.00 0.00 H ATOM 989 HG SER A 129 -2.467 48.118 23.709 1.00 0.00 H ATOM 990 N ILE A 130 -6.610 48.003 22.038 1.00 8.07 N ATOM 991 CA ILE A 130 -7.993 48.249 21.652 1.00 8.74 C ATOM 992 C ILE A 130 -8.532 47.053 20.876 1.00 10.70 C ATOM 993 O ILE A 130 -9.694 46.648 21.053 1.00 11.01 O ATOM 994 CB ILE A 130 -8.112 49.574 20.833 1.00 7.11 C ATOM 995 CG1 ILE A 130 -7.787 50.753 21.754 1.00 7.80 C ATOM 996 CG2 ILE A 130 -9.518 49.742 20.240 1.00 7.76 C ATOM 997 CD1 ILE A 130 -7.876 52.099 21.091 1.00 9.78 C ATOM 998 H ILE A 130 -5.918 48.618 21.698 1.00 0.00 H ATOM 999 N GLU A 131 -7.682 46.453 20.046 1.00 10.15 N ATOM 1000 CA GLU A 131 -8.128 45.280 19.302 1.00 11.60 C ATOM 1001 C GLU A 131 -8.474 44.126 20.268 1.00 11.31 C ATOM 1002 O GLU A 131 -9.478 43.445 20.091 1.00 11.30 O ATOM 1003 CB GLU A 131 -7.052 44.813 18.326 1.00 11.64 C ATOM 1004 CG GLU A 131 -7.493 43.615 17.503 1.00 14.03 C ATOM 1005 CD GLU A 131 -6.369 42.993 16.670 1.00 15.16 C ATOM 1006 OE1 GLU A 131 -5.182 43.399 16.802 1.00 15.35 O ATOM 1007 OE2 GLU A 131 -6.698 42.079 15.879 1.00 17.25 O ATOM 1008 H GLU A 131 -6.780 46.804 19.895 1.00 0.00 H ATOM 1009 N ASP A 132 -7.644 43.911 21.282 1.00 10.32 N ATOM 1010 CA ASP A 132 -7.885 42.825 22.237 1.00 11.79 C ATOM 1011 C ASP A 132 -8.911 43.129 23.324 1.00 12.29 C ATOM 1012 O ASP A 132 -9.332 42.227 24.044 1.00 12.63 O ATOM 1013 CB ASP A 132 -6.583 42.422 22.931 1.00 11.12 C ATOM 1014 CG ASP A 132 -5.547 41.856 21.974 1.00 12.12 C ATOM 1015 OD1 ASP A 132 -5.837 41.669 20.773 1.00 12.14 O ATOM 1016 OD2 ASP A 132 -4.429 41.600 22.444 1.00 13.34 O ATOM 1017 H ASP A 132 -6.869 44.506 21.388 1.00 0.00 H ATOM 1018 N LEU A 133 -9.268 44.393 23.467 1.00 12.89 N ATOM 1019 CA LEU A 133 -10.201 44.819 24.492 1.00 15.95 C ATOM 1020 C LEU A 133 -11.588 44.195 24.435 1.00 16.55 C ATOM 1021 O LEU A 133 -12.116 43.890 23.356 1.00 15.50 O ATOM 1022 CB LEU A 133 -10.378 46.335 24.460 1.00 16.33 C ATOM 1023 CG LEU A 133 -9.805 47.199 25.580 1.00 18.20 C ATOM 1024 CD1 LEU A 133 -10.381 48.612 25.424 1.00 17.15 C ATOM 1025 CD2 LEU A 133 -10.146 46.633 26.975 1.00 16.62 C ATOM 1026 H LEU A 133 -8.910 45.059 22.854 1.00 0.00 H ATOM 1027 N ASP A 134 -12.173 44.027 25.625 1.00 18.05 N ATOM 1028 CA ASP A 134 -13.536 43.518 25.768 1.00 20.38 C ATOM 1029 C ASP A 134 -14.357 44.579 25.031 1.00 17.76 C ATOM 1030 O ASP A 134 -14.175 45.778 25.263 1.00 16.83 O ATOM 1031 CB ASP A 134 -13.909 43.457 27.269 1.00 25.18 C ATOM 1032 CG ASP A 134 -15.427 43.561 27.527 1.00 31.02 C ATOM 1033 OD1 ASP A 134 -16.231 42.888 26.825 1.00 32.92 O ATOM 1034 OD2 ASP A 134 -15.809 44.324 28.458 1.00 34.73 O ATOM 1035 H ASP A 134 -11.631 44.247 26.405 1.00 0.00 H ATOM 1036 N SER A 135 -15.225 44.142 24.131 1.00 16.95 N ATOM 1037 CA SER A 135 -16.033 45.061 23.346 1.00 17.44 C ATOM 1038 C SER A 135 -16.818 46.066 24.167 1.00 16.88 C ATOM 1039 O SER A 135 -16.977 47.202 23.752 1.00 16.56 O ATOM 1040 CB SER A 135 -16.979 44.291 22.432 1.00 19.87 C ATOM 1041 OG SER A 135 -17.848 43.471 23.196 1.00 24.30 O ATOM 1042 H SER A 135 -15.311 43.168 24.003 1.00 0.00 H ATOM 1043 HG SER A 135 -18.425 43.046 22.555 1.00 0.00 H ATOM 1044 N ALA A 136 -17.299 45.662 25.339 1.00 15.64 N ATOM 1045 CA ALA A 136 -18.068 46.583 26.181 1.00 15.49 C ATOM 1046 C ALA A 136 -17.202 47.774 26.618 1.00 15.15 C ATOM 1047 O ALA A 136 -17.698 48.889 26.788 1.00 15.63 O ATOM 1048 CB ALA A 136 -18.622 45.856 27.401 1.00 15.80 C ATOM 1049 H ALA A 136 -17.155 44.731 25.599 1.00 0.00 H ATOM 1050 N ILE A 137 -15.910 47.531 26.812 1.00 12.74 N ATOM 1051 CA ILE A 137 -15.006 48.603 27.215 1.00 12.07 C ATOM 1052 C ILE A 137 -14.563 49.422 25.987 1.00 10.66 C ATOM 1053 O ILE A 137 -14.557 50.661 25.999 1.00 9.15 O ATOM 1054 CB ILE A 137 -13.759 48.039 27.940 1.00 13.23 C ATOM 1055 CG1 ILE A 137 -14.186 47.250 29.190 1.00 13.76 C ATOM 1056 CG2 ILE A 137 -12.840 49.188 28.355 1.00 12.83 C ATOM 1057 CD1 ILE A 137 -13.014 46.586 29.915 1.00 14.05 C ATOM 1058 H ILE A 137 -15.568 46.626 26.683 1.00 0.00 H ATOM 1059 N ARG A 138 -14.193 48.708 24.927 1.00 11.46 N ATOM 1060 CA ARG A 138 -13.746 49.341 23.686 1.00 10.50 C ATOM 1061 C ARG A 138 -14.786 50.344 23.202 1.00 10.47 C ATOM 1062 O ARG A 138 -14.460 51.467 22.803 1.00 10.29 O ATOM 1063 CB ARG A 138 -13.526 48.279 22.611 1.00 13.77 C ATOM 1064 CG ARG A 138 -13.185 48.861 21.249 1.00 15.60 C ATOM 1065 CD ARG A 138 -13.464 47.845 20.159 1.00 18.56 C ATOM 1066 NE ARG A 138 -12.629 46.679 20.358 1.00 21.00 N ATOM 1067 CZ ARG A 138 -13.069 45.430 20.355 1.00 20.46 C ATOM 1068 NH1 ARG A 138 -14.353 45.164 20.150 1.00 20.02 N ATOM 1069 NH2 ARG A 138 -12.213 44.451 20.590 1.00 22.43 N ATOM 1070 H ARG A 138 -14.193 47.731 24.969 1.00 0.00 H ATOM 1071 HE ARG A 138 -11.676 46.819 20.506 1.00 0.00 H ATOM 1072 HH11 ARG A 138 -14.991 45.909 19.989 1.00 0.00 H ATOM 1073 HH12 ARG A 138 -14.685 44.219 20.152 1.00 0.00 H ATOM 1074 HH21 ARG A 138 -11.248 44.659 20.758 1.00 0.00 H ATOM 1075 HH22 ARG A 138 -12.535 43.502 20.593 1.00 0.00 H ATOM 1076 N ASP A 139 -16.047 49.941 23.294 1.00 10.33 N ATOM 1077 CA ASP A 139 -17.154 50.772 22.860 1.00 12.19 C ATOM 1078 C ASP A 139 -17.292 52.057 23.650 1.00 12.80 C ATOM 1079 O ASP A 139 -18.038 52.947 23.242 1.00 13.93 O ATOM 1080 CB ASP A 139 -18.457 49.966 22.856 1.00 15.55 C ATOM 1081 CG ASP A 139 -18.446 48.853 21.790 1.00 19.60 C ATOM 1082 OD1 ASP A 139 -17.618 48.924 20.848 1.00 20.96 O ATOM 1083 OD2 ASP A 139 -19.243 47.895 21.898 1.00 21.87 O ATOM 1084 H ASP A 139 -16.222 49.043 23.636 1.00 0.00 H ATOM 1085 N LYS A 140 -16.572 52.158 24.767 1.00 11.68 N ATOM 1086 CA LYS A 140 -16.598 53.365 25.589 1.00 12.58 C ATOM 1087 C LYS A 140 -15.538 54.389 25.142 1.00 12.00 C ATOM 1088 O LYS A 140 -15.524 55.534 25.626 1.00 10.44 O ATOM 1089 CB LYS A 140 -16.376 53.025 27.062 1.00 14.80 C ATOM 1090 CG LYS A 140 -17.517 52.264 27.738 1.00 17.27 C ATOM 1091 CD LYS A 140 -17.291 52.327 29.242 1.00 20.43 C ATOM 1092 CE LYS A 140 -18.195 51.404 30.022 1.00 23.97 C ATOM 1093 NZ LYS A 140 -17.933 51.604 31.481 1.00 25.29 N ATOM 1094 H LYS A 140 -16.011 51.411 25.043 1.00 0.00 H ATOM 1095 HZ1 LYS A 140 -16.934 51.431 31.703 1.00 0.00 H ATOM 1096 HZ2 LYS A 140 -18.154 52.589 31.727 1.00 0.00 H ATOM 1097 HZ3 LYS A 140 -18.533 50.961 32.039 1.00 0.00 H ATOM 1098 N ILE A 141 -14.627 53.976 24.257 1.00 11.53 N ATOM 1099 CA ILE A 141 -13.583 54.897 23.776 1.00 9.99 C ATOM 1100 C ILE A 141 -14.196 55.725 22.638 1.00 10.18 C ATOM 1101 O ILE A 141 -14.346 55.245 21.502 1.00 10.24 O ATOM 1102 CB ILE A 141 -12.339 54.148 23.272 1.00 8.38 C ATOM 1103 CG1 ILE A 141 -11.921 53.082 24.292 1.00 7.99 C ATOM 1104 CG2 ILE A 141 -11.195 55.151 23.039 1.00 8.47 C ATOM 1105 CD1 ILE A 141 -10.846 52.126 23.804 1.00 6.78 C ATOM 1106 H ILE A 141 -14.648 53.073 23.881 1.00 0.00 H ATOM 1107 N ALA A 142 -14.559 56.962 22.949 1.00 8.24 N ATOM 1108 CA ALA A 142 -15.203 57.834 21.974 1.00 7.91 C ATOM 1109 C ALA A 142 -14.330 58.272 20.789 1.00 6.79 C ATOM 1110 O ALA A 142 -14.859 58.696 19.761 1.00 6.44 O ATOM 1111 CB ALA A 142 -15.777 59.058 22.676 1.00 9.57 C ATOM 1112 H ALA A 142 -14.387 57.281 23.857 1.00 0.00 H ATOM 1113 N GLY A 143 -13.012 58.260 20.981 1.00 5.77 N ATOM 1114 CA GLY A 143 -12.105 58.673 19.924 1.00 5.63 C ATOM 1115 C GLY A 143 -10.683 58.277 20.263 1.00 6.60 C ATOM 1116 O GLY A 143 -10.301 58.205 21.453 1.00 6.92 O ATOM 1117 H GLY A 143 -12.618 57.965 21.830 1.00 0.00 H ATOM 1118 N THR A 144 -9.907 57.965 19.227 1.00 6.36 N ATOM 1119 CA THR A 144 -8.517 57.573 19.408 1.00 7.82 C ATOM 1120 C THR A 144 -7.644 58.284 18.371 1.00 8.80 C ATOM 1121 O THR A 144 -8.028 58.370 17.201 1.00 8.86 O ATOM 1122 CB THR A 144 -8.336 56.055 19.242 1.00 7.39 C ATOM 1123 OG1 THR A 144 -9.149 55.358 20.199 1.00 8.33 O ATOM 1124 CG2 THR A 144 -6.879 55.673 19.465 1.00 7.18 C ATOM 1125 H THR A 144 -10.245 58.012 18.314 1.00 0.00 H ATOM 1126 HG1 THR A 144 -10.086 55.549 20.096 1.00 0.00 H ATOM 1127 N VAL A 145 -6.510 58.828 18.819 1.00 7.52 N ATOM 1128 CA VAL A 145 -5.575 59.509 17.917 1.00 8.93 C ATOM 1129 C VAL A 145 -4.246 58.752 17.864 1.00 8.36 C ATOM 1130 O VAL A 145 -3.688 58.355 18.906 1.00 6.25 O ATOM 1131 CB VAL A 145 -5.334 60.989 18.306 1.00 8.36 C ATOM 1132 CG1 VAL A 145 -6.603 61.775 18.084 1.00 10.10 C ATOM 1133 CG2 VAL A 145 -4.866 61.123 19.763 1.00 9.95 C ATOM 1134 H VAL A 145 -6.284 58.749 19.774 1.00 0.00 H ATOM 1135 N LEU A 146 -3.732 58.559 16.649 1.00 6.82 N ATOM 1136 CA LEU A 146 -2.475 57.829 16.466 1.00 6.95 C ATOM 1137 C LEU A 146 -1.492 58.683 15.664 1.00 7.46 C ATOM 1138 O LEU A 146 -1.867 59.210 14.624 1.00 10.44 O ATOM 1139 CB LEU A 146 -2.748 56.518 15.712 1.00 6.20 C ATOM 1140 CG LEU A 146 -3.780 55.550 16.320 1.00 7.76 C ATOM 1141 CD1 LEU A 146 -4.065 54.373 15.368 1.00 8.46 C ATOM 1142 CD2 LEU A 146 -3.296 55.026 17.678 1.00 6.43 C ATOM 1143 H LEU A 146 -4.190 58.912 15.855 1.00 0.00 H ATOM 1144 N PHE A 147 -0.281 58.897 16.176 1.00 7.91 N ATOM 1145 CA PHE A 147 0.736 59.685 15.444 1.00 6.88 C ATOM 1146 C PHE A 147 1.856 58.730 15.029 1.00 8.14 C ATOM 1147 O PHE A 147 2.288 57.885 15.836 1.00 7.97 O ATOM 1148 CB PHE A 147 1.397 60.752 16.335 1.00 8.08 C ATOM 1149 CG PHE A 147 0.428 61.615 17.102 1.00 8.64 C ATOM 1150 CD1 PHE A 147 -0.028 61.220 18.359 1.00 9.88 C ATOM 1151 CD2 PHE A 147 0.030 62.850 16.598 1.00 9.26 C ATOM 1152 CE1 PHE A 147 -0.866 62.053 19.105 1.00 10.26 C ATOM 1153 CE2 PHE A 147 -0.799 63.680 17.332 1.00 9.62 C ATOM 1154 CZ PHE A 147 -1.248 63.278 18.593 1.00 9.95 C ATOM 1155 H PHE A 147 -0.045 58.514 17.048 1.00 0.00 H ATOM 1156 N GLY A 148 2.352 58.874 13.793 1.00 8.79 N ATOM 1157 CA GLY A 148 3.447 58.018 13.337 1.00 6.46 C ATOM 1158 C GLY A 148 3.128 56.554 13.579 1.00 6.50 C ATOM 1159 O GLY A 148 3.953 55.808 14.127 1.00 8.02 O ATOM 1160 H GLY A 148 1.950 59.527 13.186 1.00 0.00 H ATOM 1161 N TYR A 149 1.908 56.178 13.184 1.00 7.10 N ATOM 1162 CA TYR A 149 1.342 54.832 13.321 1.00 6.85 C ATOM 1163 C TYR A 149 2.153 53.768 12.553 1.00 8.12 C ATOM 1164 O TYR A 149 1.989 53.588 11.339 1.00 7.77 O ATOM 1165 CB TYR A 149 -0.115 54.890 12.856 1.00 6.88 C ATOM 1166 CG TYR A 149 -0.972 53.655 13.059 1.00 8.10 C ATOM 1167 CD1 TYR A 149 -0.702 52.715 14.064 1.00 6.99 C ATOM 1168 CD2 TYR A 149 -2.075 53.433 12.227 1.00 8.19 C ATOM 1169 CE1 TYR A 149 -1.523 51.583 14.219 1.00 8.27 C ATOM 1170 CE2 TYR A 149 -2.889 52.317 12.367 1.00 8.18 C ATOM 1171 CZ TYR A 149 -2.619 51.396 13.358 1.00 8.93 C ATOM 1172 OH TYR A 149 -3.450 50.294 13.454 1.00 8.40 O ATOM 1173 H TYR A 149 1.365 56.859 12.751 1.00 0.00 H ATOM 1174 HH TYR A 149 -3.252 49.823 14.267 1.00 0.00 H ATOM 1175 N THR A 150 2.964 53.020 13.301 1.00 7.99 N ATOM 1176 CA THR A 150 3.842 51.987 12.745 1.00 9.58 C ATOM 1177 C THR A 150 3.169 50.853 11.982 1.00 9.38 C ATOM 1178 O THR A 150 3.819 50.162 11.202 1.00 9.49 O ATOM 1179 CB THR A 150 4.756 51.373 13.833 1.00 9.18 C ATOM 1180 OG1 THR A 150 3.950 50.792 14.859 1.00 10.12 O ATOM 1181 CG2 THR A 150 5.670 52.445 14.436 1.00 9.94 C ATOM 1182 H THR A 150 3.001 53.157 14.278 1.00 0.00 H ATOM 1183 HG1 THR A 150 4.527 50.268 15.430 1.00 0.00 H ATOM 1184 N LYS A 151 1.884 50.635 12.237 1.00 9.04 N ATOM 1185 CA LYS A 151 1.142 49.583 11.541 1.00 9.81 C ATOM 1186 C LYS A 151 0.131 50.196 10.564 1.00 8.58 C ATOM 1187 O LYS A 151 -0.845 49.551 10.168 1.00 9.71 O ATOM 1188 CB LYS A 151 0.422 48.682 12.555 1.00 10.30 C ATOM 1189 CG LYS A 151 1.349 47.855 13.421 1.00 12.39 C ATOM 1190 CD LYS A 151 2.229 46.952 12.563 1.00 14.68 C ATOM 1191 CE LYS A 151 2.937 45.875 13.379 1.00 17.20 C ATOM 1192 NZ LYS A 151 3.882 45.068 12.531 1.00 19.43 N ATOM 1193 H LYS A 151 1.455 51.170 12.927 1.00 0.00 H ATOM 1194 HZ1 LYS A 151 3.340 44.614 11.768 1.00 0.00 H ATOM 1195 HZ2 LYS A 151 4.603 45.691 12.115 1.00 0.00 H ATOM 1196 HZ3 LYS A 151 4.343 44.338 13.112 1.00 0.00 H ATOM 1197 N ASN A 152 0.368 51.447 10.185 1.00 9.45 N ATOM 1198 CA ASN A 152 -0.531 52.150 9.274 1.00 9.53 C ATOM 1199 C ASN A 152 -0.803 51.407 7.952 1.00 9.17 C ATOM 1200 O ASN A 152 -1.961 51.192 7.573 1.00 9.48 O ATOM 1201 CB ASN A 152 -0.014 53.562 8.995 1.00 8.71 C ATOM 1202 CG ASN A 152 -0.926 54.326 8.065 1.00 10.65 C ATOM 1203 OD1 ASN A 152 -0.558 54.633 6.927 1.00 13.83 O ATOM 1204 ND2 ASN A 152 -2.142 54.597 8.524 1.00 6.79 N ATOM 1205 H ASN A 152 1.177 51.908 10.486 1.00 0.00 H ATOM 1206 HD21 ASN A 152 -2.743 55.094 7.914 1.00 0.00 H ATOM 1207 HD22 ASN A 152 -2.394 54.302 9.417 1.00 0.00 H ATOM 1208 N LEU A 153 0.251 50.966 7.280 1.00 10.96 N ATOM 1209 CA LEU A 153 0.074 50.256 6.011 1.00 11.72 C ATOM 1210 C LEU A 153 -0.562 48.880 6.224 1.00 11.41 C ATOM 1211 O LEU A 153 -1.545 48.529 5.587 1.00 9.60 O ATOM 1212 CB LEU A 153 1.428 50.090 5.311 1.00 13.58 C ATOM 1213 CG LEU A 153 1.388 49.531 3.888 1.00 14.09 C ATOM 1214 CD1 LEU A 153 0.466 50.360 3.020 1.00 15.73 C ATOM 1215 CD2 LEU A 153 2.774 49.550 3.331 1.00 15.76 C ATOM 1216 H LEU A 153 1.162 51.120 7.627 1.00 0.00 H ATOM 1217 N GLN A 154 0.010 48.131 7.159 1.00 11.82 N ATOM 1218 CA GLN A 154 -0.438 46.785 7.489 1.00 12.25 C ATOM 1219 C GLN A 154 -1.911 46.731 7.871 1.00 12.67 C ATOM 1220 O GLN A 154 -2.634 45.817 7.467 1.00 12.97 O ATOM 1221 CB GLN A 154 0.426 46.199 8.613 1.00 12.17 C ATOM 1222 CG GLN A 154 1.921 46.028 8.252 1.00 12.18 C ATOM 1223 CD GLN A 154 2.787 47.251 8.560 1.00 12.80 C ATOM 1224 OE1 GLN A 154 2.304 48.383 8.664 1.00 12.40 O ATOM 1225 NE2 GLN A 154 4.084 47.019 8.702 1.00 13.00 N ATOM 1226 H GLN A 154 0.746 48.534 7.655 1.00 0.00 H ATOM 1227 HE21 GLN A 154 4.636 47.814 8.894 1.00 0.00 H ATOM 1228 HE22 GLN A 154 4.448 46.116 8.611 1.00 0.00 H ATOM 1229 N ASN A 155 -2.355 47.729 8.629 1.00 13.25 N ATOM 1230 CA ASN A 155 -3.742 47.799 9.076 1.00 13.79 C ATOM 1231 C ASN A 155 -4.607 48.694 8.210 1.00 14.52 C ATOM 1232 O ASN A 155 -5.764 48.955 8.543 1.00 14.92 O ATOM 1233 CB ASN A 155 -3.812 48.244 10.541 1.00 14.25 C ATOM 1234 CG ASN A 155 -3.303 47.182 11.488 1.00 15.81 C ATOM 1235 OD1 ASN A 155 -3.247 45.987 11.150 1.00 16.32 O ATOM 1236 ND2 ASN A 155 -2.909 47.607 12.681 1.00 15.59 N ATOM 1237 H ASN A 155 -1.733 48.438 8.879 1.00 0.00 H ATOM 1238 HD21 ASN A 155 -2.611 46.949 13.342 1.00 0.00 H ATOM 1239 HD22 ASN A 155 -2.974 48.573 12.817 1.00 0.00 H ATOM 1240 N ARG A 156 -4.045 49.180 7.108 1.00 15.07 N ATOM 1241 CA ARG A 156 -4.791 50.029 6.196 1.00 16.29 C ATOM 1242 C ARG A 156 -5.374 51.263 6.880 1.00 14.17 C ATOM 1243 O ARG A 156 -6.505 51.672 6.589 1.00 14.05 O ATOM 1244 CB ARG A 156 -5.906 49.222 5.525 1.00 20.19 C ATOM 1245 CG ARG A 156 -5.410 48.140 4.582 1.00 26.75 C ATOM 1246 CD ARG A 156 -4.630 48.735 3.397 1.00 31.57 C ATOM 1247 NE ARG A 156 -3.206 48.383 3.426 1.00 36.31 N ATOM 1248 CZ ARG A 156 -2.732 47.141 3.285 1.00 37.80 C ATOM 1249 NH1 ARG A 156 -3.564 46.118 3.095 1.00 39.61 N ATOM 1250 NH2 ARG A 156 -1.426 46.908 3.391 1.00 38.28 N ATOM 1251 H ARG A 156 -3.122 48.972 6.877 1.00 0.00 H ATOM 1252 HE ARG A 156 -2.560 49.109 3.566 1.00 0.00 H ATOM 1253 HH11 ARG A 156 -4.545 46.271 3.053 1.00 0.00 H ATOM 1254 HH12 ARG A 156 -3.200 45.194 2.991 1.00 0.00 H ATOM 1255 HH21 ARG A 156 -0.804 47.665 3.602 1.00 0.00 H ATOM 1256 HH22 ARG A 156 -1.074 45.973 3.299 1.00 0.00 H ATOM 1257 N GLY A 157 -4.604 51.832 7.803 1.00 12.97 N ATOM 1258 CA GLY A 157 -5.020 53.034 8.506 1.00 11.66 C ATOM 1259 C GLY A 157 -6.154 52.850 9.501 1.00 14.37 C ATOM 1260 O GLY A 157 -6.810 53.834 9.872 1.00 14.10 O ATOM 1261 H GLY A 157 -3.737 51.436 7.984 1.00 0.00 H ATOM 1262 N ARG A 158 -6.396 51.619 9.944 1.00 12.58 N ATOM 1263 CA ARG A 158 -7.478 51.378 10.894 1.00 13.32 C ATOM 1264 C ARG A 158 -6.943 50.713 12.145 1.00 11.97 C ATOM 1265 O ARG A 158 -5.778 50.318 12.204 1.00 11.29 O ATOM 1266 CB ARG A 158 -8.522 50.424 10.283 1.00 14.81 C ATOM 1267 CG ARG A 158 -9.237 50.915 9.037 1.00 18.64 C ATOM 1268 CD ARG A 158 -10.315 51.936 9.374 1.00 21.91 C ATOM 1269 NE ARG A 158 -11.324 51.381 10.275 1.00 24.33 N ATOM 1270 CZ ARG A 158 -12.400 50.694 9.887 1.00 26.32 C ATOM 1271 NH1 ARG A 158 -12.628 50.469 8.596 1.00 26.81 N ATOM 1272 NH2 ARG A 158 -13.261 50.237 10.795 1.00 25.95 N ATOM 1273 H ARG A 158 -5.848 50.858 9.647 1.00 0.00 H ATOM 1274 HE ARG A 158 -11.206 51.522 11.236 1.00 0.00 H ATOM 1275 HH11 ARG A 158 -11.999 50.802 7.894 1.00 0.00 H ATOM 1276 HH12 ARG A 158 -13.442 49.952 8.331 1.00 0.00 H ATOM 1277 HH21 ARG A 158 -13.099 50.420 11.767 1.00 0.00 H ATOM 1278 HH22 ARG A 158 -14.075 49.729 10.508 1.00 0.00 H ATOM 1279 N ILE A 159 -7.802 50.632 13.156 1.00 12.13 N ATOM 1280 CA ILE A 159 -7.493 49.908 14.387 1.00 12.15 C ATOM 1281 C ILE A 159 -8.490 48.758 14.265 1.00 11.39 C ATOM 1282 O ILE A 159 -9.690 48.988 14.090 1.00 11.67 O ATOM 1283 CB ILE A 159 -7.824 50.706 15.668 1.00 12.55 C ATOM 1284 CG1 ILE A 159 -6.854 51.884 15.830 1.00 12.61 C ATOM 1285 CG2 ILE A 159 -7.727 49.784 16.888 1.00 11.98 C ATOM 1286 CD1 ILE A 159 -7.148 52.790 17.042 1.00 13.24 C ATOM 1287 H ILE A 159 -8.690 51.050 13.050 1.00 0.00 H ATOM 1288 N PRO A 160 -8.006 47.510 14.281 1.00 13.06 N ATOM 1289 CA PRO A 160 -8.912 46.355 14.164 1.00 13.08 C ATOM 1290 C PRO A 160 -10.044 46.376 15.184 1.00 12.44 C ATOM 1291 O PRO A 160 -9.822 46.695 16.348 1.00 12.81 O ATOM 1292 CB PRO A 160 -7.976 45.167 14.405 1.00 13.70 C ATOM 1293 CG PRO A 160 -6.652 45.667 13.836 1.00 13.29 C ATOM 1294 CD PRO A 160 -6.596 47.077 14.386 1.00 13.24 C ATOM 1295 N ASN A 161 -11.260 46.093 14.714 1.00 13.41 N ATOM 1296 CA ASN A 161 -12.466 46.038 15.558 1.00 14.85 C ATOM 1297 C ASN A 161 -12.912 47.395 16.096 1.00 14.70 C ATOM 1298 O ASN A 161 -13.731 47.450 17.028 1.00 14.50 O ATOM 1299 CB ASN A 161 -12.254 45.117 16.774 1.00 16.61 C ATOM 1300 CG ASN A 161 -11.928 43.702 16.394 1.00 18.18 C ATOM 1301 OD1 ASN A 161 -12.404 43.188 15.383 1.00 19.02 O ATOM 1302 ND2 ASN A 161 -11.110 43.051 17.208 1.00 19.65 N ATOM 1303 H ASN A 161 -11.365 45.973 13.748 1.00 0.00 H ATOM 1304 HD21 ASN A 161 -10.860 42.140 16.972 1.00 0.00 H ATOM 1305 HD22 ASN A 161 -10.775 43.510 18.013 1.00 0.00 H ATOM 1306 N TYR A 162 -12.406 48.481 15.526 1.00 12.75 N ATOM 1307 CA TYR A 162 -12.736 49.821 16.022 1.00 11.90 C ATOM 1308 C TYR A 162 -13.173 50.710 14.840 1.00 12.66 C ATOM 1309 O TYR A 162 -12.498 50.766 13.804 1.00 12.76 O ATOM 1310 CB TYR A 162 -11.501 50.362 16.752 1.00 10.29 C ATOM 1311 CG TYR A 162 -11.707 51.636 17.536 1.00 10.03 C ATOM 1312 CD1 TYR A 162 -12.453 51.653 18.718 1.00 10.70 C ATOM 1313 CD2 TYR A 162 -11.127 52.824 17.108 1.00 8.79 C ATOM 1314 CE1 TYR A 162 -12.604 52.837 19.447 1.00 10.75 C ATOM 1315 CE2 TYR A 162 -11.271 53.994 17.811 1.00 9.99 C ATOM 1316 CZ TYR A 162 -12.010 54.007 18.979 1.00 10.21 C ATOM 1317 OH TYR A 162 -12.158 55.204 19.638 1.00 9.81 O ATOM 1318 H TYR A 162 -11.798 48.408 14.765 1.00 0.00 H ATOM 1319 HH TYR A 162 -11.928 55.899 19.014 1.00 0.00 H ATOM 1320 N PRO A 163 -14.295 51.442 14.997 1.00 12.89 N ATOM 1321 CA PRO A 163 -14.782 52.290 13.894 1.00 12.44 C ATOM 1322 C PRO A 163 -13.845 53.355 13.356 1.00 10.97 C ATOM 1323 O PRO A 163 -13.179 54.066 14.118 1.00 9.69 O ATOM 1324 CB PRO A 163 -16.079 52.898 14.462 1.00 12.60 C ATOM 1325 CG PRO A 163 -15.831 52.952 15.925 1.00 14.64 C ATOM 1326 CD PRO A 163 -15.125 51.615 16.204 1.00 14.33 C ATOM 1327 N ALA A 164 -13.865 53.509 12.033 1.00 10.72 N ATOM 1328 CA ALA A 164 -13.042 54.514 11.362 1.00 10.55 C ATOM 1329 C ALA A 164 -13.434 55.936 11.776 1.00 9.26 C ATOM 1330 O ALA A 164 -12.580 56.818 11.865 1.00 7.84 O ATOM 1331 CB ALA A 164 -13.162 54.369 9.826 1.00 11.38 C ATOM 1332 H ALA A 164 -14.418 52.926 11.475 1.00 0.00 H ATOM 1333 N ASP A 165 -14.723 56.160 12.043 1.00 9.60 N ATOM 1334 CA ASP A 165 -15.157 57.501 12.407 1.00 10.75 C ATOM 1335 C ASP A 165 -14.630 57.969 13.757 1.00 10.60 C ATOM 1336 O ASP A 165 -14.579 59.169 14.010 1.00 10.96 O ATOM 1337 CB ASP A 165 -16.679 57.651 12.310 1.00 14.14 C ATOM 1338 CG ASP A 165 -17.415 56.741 13.267 1.00 17.82 C ATOM 1339 OD1 ASP A 165 -17.431 55.516 13.011 1.00 20.43 O ATOM 1340 OD2 ASP A 165 -17.967 57.252 14.270 1.00 16.78 O ATOM 1341 H ASP A 165 -15.359 55.425 11.950 1.00 0.00 H ATOM 1342 N ARG A 166 -14.212 57.028 14.606 1.00 7.72 N ATOM 1343 CA ARG A 166 -13.662 57.376 15.925 1.00 9.03 C ATOM 1344 C ARG A 166 -12.138 57.345 15.936 1.00 9.54 C ATOM 1345 O ARG A 166 -11.507 57.486 16.997 1.00 9.52 O ATOM 1346 CB ARG A 166 -14.165 56.406 16.999 1.00 9.64 C ATOM 1347 CG ARG A 166 -15.676 56.469 17.226 1.00 10.49 C ATOM 1348 CD ARG A 166 -16.065 55.641 18.447 1.00 10.67 C ATOM 1349 NE ARG A 166 -17.493 55.795 18.725 1.00 11.47 N ATOM 1350 CZ ARG A 166 -18.088 55.367 19.833 1.00 12.34 C ATOM 1351 NH1 ARG A 166 -17.382 54.750 20.771 1.00 9.85 N ATOM 1352 NH2 ARG A 166 -19.390 55.566 19.994 1.00 11.31 N ATOM 1353 H ARG A 166 -14.254 56.086 14.353 1.00 0.00 H ATOM 1354 HE ARG A 166 -18.049 56.225 18.046 1.00 0.00 H ATOM 1355 HH11 ARG A 166 -16.398 54.607 20.646 1.00 0.00 H ATOM 1356 HH12 ARG A 166 -17.827 54.432 21.605 1.00 0.00 H ATOM 1357 HH21 ARG A 166 -19.929 56.023 19.291 1.00 0.00 H ATOM 1358 HH22 ARG A 166 -19.825 55.236 20.829 1.00 0.00 H ATOM 1359 N THR A 167 -11.551 57.143 14.762 1.00 9.06 N ATOM 1360 CA THR A 167 -10.106 57.054 14.636 1.00 9.14 C ATOM 1361 C THR A 167 -9.557 58.218 13.822 1.00 10.29 C ATOM 1362 O THR A 167 -10.171 58.625 12.826 1.00 8.66 O ATOM 1363 CB THR A 167 -9.716 55.764 13.858 1.00 10.47 C ATOM 1364 OG1 THR A 167 -10.389 54.627 14.428 1.00 12.21 O ATOM 1365 CG2 THR A 167 -8.171 55.543 13.875 1.00 9.77 C ATOM 1366 H THR A 167 -12.069 57.064 13.938 1.00 0.00 H ATOM 1367 HG1 THR A 167 -10.049 54.475 15.313 1.00 0.00 H ATOM 1368 N LYS A 168 -8.429 58.769 14.262 1.00 8.92 N ATOM 1369 CA LYS A 168 -7.768 59.814 13.498 1.00 9.41 C ATOM 1370 C LYS A 168 -6.293 59.473 13.477 1.00 9.54 C ATOM 1371 O LYS A 168 -5.649 59.343 14.528 1.00 8.68 O ATOM 1372 CB LYS A 168 -7.981 61.217 14.044 1.00 11.00 C ATOM 1373 CG LYS A 168 -7.366 62.247 13.103 1.00 14.06 C ATOM 1374 CD LYS A 168 -7.862 63.643 13.381 1.00 18.38 C ATOM 1375 CE LYS A 168 -7.331 64.636 12.370 1.00 22.18 C ATOM 1376 NZ LYS A 168 -7.799 64.330 10.979 1.00 25.09 N ATOM 1377 H LYS A 168 -8.022 58.490 15.117 1.00 0.00 H ATOM 1378 HZ1 LYS A 168 -7.488 63.380 10.696 1.00 0.00 H ATOM 1379 HZ2 LYS A 168 -8.839 64.376 10.975 1.00 0.00 H ATOM 1380 HZ3 LYS A 168 -7.413 65.042 10.326 1.00 0.00 H ATOM 1381 N VAL A 169 -5.755 59.342 12.267 1.00 8.02 N ATOM 1382 CA VAL A 169 -4.353 58.976 12.104 1.00 8.52 C ATOM 1383 C VAL A 169 -3.576 60.160 11.542 1.00 8.94 C ATOM 1384 O VAL A 169 -4.030 60.825 10.598 1.00 7.08 O ATOM 1385 CB VAL A 169 -4.185 57.730 11.137 1.00 10.78 C ATOM 1386 CG1 VAL A 169 -2.688 57.446 10.849 1.00 8.98 C ATOM 1387 CG2 VAL A 169 -4.860 56.485 11.738 1.00 9.24 C ATOM 1388 H VAL A 169 -6.211 59.661 11.460 1.00 0.00 H ATOM 1389 N PHE A 170 -2.454 60.459 12.190 1.00 8.21 N ATOM 1390 CA PHE A 170 -1.569 61.532 11.753 1.00 8.45 C ATOM 1391 C PHE A 170 -0.312 60.839 11.254 1.00 7.50 C ATOM 1392 O PHE A 170 0.476 60.293 12.032 1.00 6.16 O ATOM 1393 CB PHE A 170 -1.227 62.486 12.889 1.00 8.25 C ATOM 1394 CG PHE A 170 -2.405 63.276 13.389 1.00 10.19 C ATOM 1395 CD1 PHE A 170 -2.792 64.454 12.754 1.00 10.67 C ATOM 1396 CD2 PHE A 170 -3.127 62.841 14.500 1.00 11.07 C ATOM 1397 CE1 PHE A 170 -3.882 65.191 13.218 1.00 10.40 C ATOM 1398 CE2 PHE A 170 -4.217 63.573 14.969 1.00 11.22 C ATOM 1399 CZ PHE A 170 -4.590 64.745 14.327 1.00 11.76 C ATOM 1400 H PHE A 170 -2.210 59.942 12.980 1.00 0.00 H ATOM 1401 N CYS A 171 -0.165 60.827 9.939 1.00 7.80 N ATOM 1402 CA CYS A 171 0.981 60.187 9.311 1.00 10.05 C ATOM 1403 C CYS A 171 1.519 61.161 8.268 1.00 10.17 C ATOM 1404 O CYS A 171 0.848 61.431 7.271 1.00 11.04 O ATOM 1405 CB CYS A 171 0.552 58.874 8.656 1.00 8.93 C ATOM 1406 SG CYS A 171 0.953 57.406 9.661 1.00 9.67 S ATOM 1407 H CYS A 171 -0.828 61.290 9.363 1.00 0.00 H ATOM 1408 N LYS A 172 2.685 61.731 8.551 1.00 9.96 N ATOM 1409 CA LYS A 172 3.308 62.699 7.667 1.00 12.16 C ATOM 1410 C LYS A 172 3.965 62.105 6.438 1.00 11.19 C ATOM 1411 O LYS A 172 4.487 60.989 6.475 1.00 8.67 O ATOM 1412 CB LYS A 172 4.366 63.497 8.423 1.00 15.06 C ATOM 1413 CG LYS A 172 3.768 64.655 9.160 1.00 20.39 C ATOM 1414 CD LYS A 172 4.794 65.657 9.570 1.00 25.19 C ATOM 1415 CE LYS A 172 4.097 66.984 9.900 1.00 28.68 C ATOM 1416 NZ LYS A 172 2.841 66.752 10.720 1.00 30.83 N ATOM 1417 H LYS A 172 3.207 61.474 9.339 1.00 0.00 H ATOM 1418 HZ1 LYS A 172 2.211 66.149 10.180 1.00 0.00 H ATOM 1419 HZ2 LYS A 172 3.022 66.307 11.637 1.00 0.00 H ATOM 1420 HZ3 LYS A 172 2.407 67.680 10.883 1.00 0.00 H ATOM 1421 N THR A 173 3.968 62.888 5.363 1.00 9.80 N ATOM 1422 CA THR A 173 4.614 62.472 4.119 1.00 11.31 C ATOM 1423 C THR A 173 6.106 62.315 4.451 1.00 10.30 C ATOM 1424 O THR A 173 6.687 63.158 5.144 1.00 10.88 O ATOM 1425 CB THR A 173 4.418 63.537 3.009 1.00 12.21 C ATOM 1426 OG1 THR A 173 3.016 63.817 2.871 1.00 13.14 O ATOM 1427 CG2 THR A 173 4.963 63.013 1.664 1.00 12.16 C ATOM 1428 H THR A 173 3.545 63.771 5.379 1.00 0.00 H ATOM 1429 HG1 THR A 173 2.962 64.593 2.284 1.00 0.00 H ATOM 1430 N GLY A 174 6.690 61.190 4.065 1.00 9.94 N ATOM 1431 CA GLY A 174 8.088 60.984 4.376 1.00 10.82 C ATOM 1432 C GLY A 174 8.306 60.222 5.685 1.00 11.74 C ATOM 1433 O GLY A 174 9.452 59.860 6.000 1.00 11.72 O ATOM 1434 H GLY A 174 6.169 60.491 3.609 1.00 0.00 H ATOM 1435 N ASP A 175 7.258 60.029 6.492 1.00 10.45 N ATOM 1436 CA ASP A 175 7.441 59.253 7.725 1.00 9.89 C ATOM 1437 C ASP A 175 7.351 57.794 7.275 1.00 9.49 C ATOM 1438 O ASP A 175 6.262 57.237 7.091 1.00 7.78 O ATOM 1439 CB ASP A 175 6.367 59.560 8.775 1.00 10.08 C ATOM 1440 CG ASP A 175 6.610 58.823 10.101 1.00 11.32 C ATOM 1441 OD1 ASP A 175 7.524 57.961 10.169 1.00 9.12 O ATOM 1442 OD2 ASP A 175 5.873 59.113 11.073 1.00 9.60 O ATOM 1443 H ASP A 175 6.366 60.348 6.257 1.00 0.00 H ATOM 1444 N LEU A 176 8.523 57.187 7.120 1.00 9.04 N ATOM 1445 CA LEU A 176 8.632 55.809 6.650 1.00 10.85 C ATOM 1446 C LEU A 176 7.890 54.726 7.467 1.00 10.90 C ATOM 1447 O LEU A 176 7.502 53.670 6.918 1.00 11.66 O ATOM 1448 CB LEU A 176 10.116 55.452 6.464 1.00 11.08 C ATOM 1449 CG LEU A 176 10.892 56.421 5.557 1.00 13.11 C ATOM 1450 CD1 LEU A 176 12.350 56.014 5.471 1.00 15.79 C ATOM 1451 CD2 LEU A 176 10.290 56.456 4.172 1.00 13.72 C ATOM 1452 H LEU A 176 9.330 57.723 7.268 1.00 0.00 H ATOM 1453 N VAL A 177 7.661 54.970 8.757 1.00 10.17 N ATOM 1454 CA VAL A 177 6.953 53.956 9.542 1.00 9.89 C ATOM 1455 C VAL A 177 5.495 53.836 9.103 1.00 9.32 C ATOM 1456 O VAL A 177 4.875 52.794 9.292 1.00 11.17 O ATOM 1457 CB VAL A 177 7.019 54.210 11.079 1.00 10.60 C ATOM 1458 CG1 VAL A 177 8.484 54.352 11.525 1.00 11.83 C ATOM 1459 CG2 VAL A 177 6.188 55.438 11.457 1.00 9.42 C ATOM 1460 H VAL A 177 7.998 55.787 9.165 1.00 0.00 H ATOM 1461 N CYS A 178 4.955 54.887 8.493 1.00 8.43 N ATOM 1462 CA CYS A 178 3.552 54.876 8.048 1.00 9.05 C ATOM 1463 C CYS A 178 3.406 54.159 6.727 1.00 11.49 C ATOM 1464 O CYS A 178 2.297 53.850 6.274 1.00 12.07 O ATOM 1465 CB CYS A 178 3.078 56.313 7.844 1.00 10.40 C ATOM 1466 SG CYS A 178 2.966 57.219 9.415 1.00 10.93 S ATOM 1467 H CYS A 178 5.472 55.699 8.324 1.00 0.00 H ATOM 1468 N THR A 179 4.557 53.829 6.162 1.00 13.09 N ATOM 1469 CA THR A 179 4.615 53.244 4.856 1.00 16.68 C ATOM 1470 C THR A 179 5.233 51.820 4.832 1.00 17.42 C ATOM 1471 O THR A 179 5.774 51.354 3.821 1.00 17.73 O ATOM 1472 CB THR A 179 5.254 54.352 3.967 1.00 18.11 C ATOM 1473 OG1 THR A 179 4.338 54.743 2.945 1.00 21.75 O ATOM 1474 CG2 THR A 179 6.575 54.020 3.473 1.00 17.08 C ATOM 1475 H THR A 179 5.393 53.963 6.633 1.00 0.00 H ATOM 1476 HG1 THR A 179 3.494 54.929 3.386 1.00 0.00 H ATOM 1477 N GLY A 180 5.065 51.121 5.953 1.00 15.02 N ATOM 1478 CA GLY A 180 5.527 49.758 6.091 1.00 14.61 C ATOM 1479 C GLY A 180 6.967 49.545 6.483 1.00 15.87 C ATOM 1480 O GLY A 180 7.431 48.404 6.471 1.00 17.50 O ATOM 1481 H GLY A 180 4.593 51.526 6.721 1.00 0.00 H ATOM 1482 N SER A 181 7.683 50.609 6.818 1.00 16.65 N ATOM 1483 CA SER A 181 9.082 50.472 7.217 1.00 17.59 C ATOM 1484 C SER A 181 9.256 50.751 8.712 1.00 18.30 C ATOM 1485 O SER A 181 8.312 51.169 9.382 1.00 18.31 O ATOM 1486 CB SER A 181 9.934 51.440 6.403 1.00 18.38 C ATOM 1487 OG SER A 181 11.252 51.542 6.902 1.00 22.91 O ATOM 1488 H SER A 181 7.282 51.496 6.886 1.00 0.00 H ATOM 1489 HG SER A 181 11.776 51.921 6.191 1.00 0.00 H ATOM 1490 N LEU A 182 10.446 50.454 9.230 1.00 18.30 N ATOM 1491 CA LEU A 182 10.780 50.713 10.627 1.00 20.34 C ATOM 1492 C LEU A 182 11.943 51.697 10.704 1.00 21.17 C ATOM 1493 O LEU A 182 12.616 51.807 11.729 1.00 23.10 O ATOM 1494 CB LEU A 182 11.125 49.425 11.379 1.00 21.48 C ATOM 1495 CG LEU A 182 9.939 48.517 11.730 1.00 23.47 C ATOM 1496 CD1 LEU A 182 10.448 47.273 12.459 1.00 25.22 C ATOM 1497 CD2 LEU A 182 8.908 49.297 12.571 1.00 23.14 C ATOM 1498 H LEU A 182 11.120 50.082 8.626 1.00 0.00 H ATOM 1499 N ILE A 183 12.198 52.400 9.606 1.00 20.15 N ATOM 1500 CA ILE A 183 13.273 53.380 9.589 1.00 18.78 C ATOM 1501 C ILE A 183 12.735 54.683 10.150 1.00 18.22 C ATOM 1502 O ILE A 183 11.624 55.096 9.800 1.00 17.86 O ATOM 1503 CB ILE A 183 13.780 53.612 8.157 1.00 20.26 C ATOM 1504 CG1 ILE A 183 14.409 52.321 7.623 1.00 21.55 C ATOM 1505 CG2 ILE A 183 14.749 54.783 8.111 1.00 19.74 C ATOM 1506 CD1 ILE A 183 15.522 51.789 8.497 1.00 24.54 C ATOM 1507 H ILE A 183 11.647 52.264 8.812 1.00 0.00 H ATOM 1508 N VAL A 184 13.519 55.324 11.012 1.00 17.60 N ATOM 1509 CA VAL A 184 13.126 56.597 11.620 1.00 16.76 C ATOM 1510 C VAL A 184 13.753 57.769 10.868 1.00 17.27 C ATOM 1511 O VAL A 184 14.969 57.986 10.942 1.00 18.08 O ATOM 1512 CB VAL A 184 13.546 56.667 13.108 1.00 16.52 C ATOM 1513 CG1 VAL A 184 13.155 58.014 13.717 1.00 15.13 C ATOM 1514 CG2 VAL A 184 12.905 55.522 13.878 1.00 16.33 C ATOM 1515 H VAL A 184 14.375 54.917 11.216 1.00 0.00 H ATOM 1516 N ALA A 185 12.910 58.510 10.149 1.00 16.32 N ATOM 1517 CA ALA A 185 13.322 59.683 9.371 1.00 16.49 C ATOM 1518 C ALA A 185 12.838 60.959 10.087 1.00 15.06 C ATOM 1519 O ALA A 185 11.990 60.884 10.994 1.00 16.16 O ATOM 1520 CB ALA A 185 12.746 59.605 7.944 1.00 14.63 C ATOM 1521 H ALA A 185 11.970 58.275 10.194 1.00 0.00 H ATOM 1522 N ALA A 186 13.325 62.123 9.652 1.00 12.99 N ATOM 1523 CA ALA A 186 12.955 63.391 10.282 1.00 12.09 C ATOM 1524 C ALA A 186 11.452 63.655 10.419 1.00 12.46 C ATOM 1525 O ALA A 186 11.012 64.170 11.448 1.00 12.62 O ATOM 1526 CB ALA A 186 13.661 64.578 9.594 1.00 13.74 C ATOM 1527 H ALA A 186 13.960 62.141 8.896 1.00 0.00 H ATOM 1528 N PRO A 187 10.641 63.314 9.391 1.00 11.78 N ATOM 1529 CA PRO A 187 9.199 63.571 9.527 1.00 12.09 C ATOM 1530 C PRO A 187 8.534 62.834 10.717 1.00 12.76 C ATOM 1531 O PRO A 187 7.473 63.260 11.209 1.00 12.55 O ATOM 1532 CB PRO A 187 8.637 63.094 8.179 1.00 11.82 C ATOM 1533 CG PRO A 187 9.758 63.394 7.225 1.00 12.18 C ATOM 1534 CD PRO A 187 10.966 62.893 8.011 1.00 12.47 C ATOM 1535 N HIS A 188 9.162 61.753 11.185 1.00 11.45 N ATOM 1536 CA HIS A 188 8.612 60.980 12.310 1.00 11.23 C ATOM 1537 C HIS A 188 8.660 61.778 13.607 1.00 11.49 C ATOM 1538 O HIS A 188 7.944 61.472 14.558 1.00 12.20 O ATOM 1539 CB HIS A 188 9.400 59.686 12.515 1.00 8.68 C ATOM 1540 CG HIS A 188 8.748 58.723 13.453 1.00 9.79 C ATOM 1541 ND1 HIS A 188 7.439 58.298 13.306 1.00 9.89 N ATOM 1542 CD2 HIS A 188 9.242 58.032 14.516 1.00 9.61 C ATOM 1543 CE1 HIS A 188 7.167 57.384 14.224 1.00 9.67 C ATOM 1544 NE2 HIS A 188 8.243 57.206 14.970 1.00 8.67 N ATOM 1545 H HIS A 188 10.016 61.491 10.791 1.00 0.00 H ATOM 1546 HD1 HIS A 188 6.769 58.641 12.703 1.00 0.00 H ATOM 1547 HE2 HIS A 188 8.299 56.608 15.748 1.00 0.00 H ATOM 1548 N LEU A 189 9.528 62.779 13.642 1.00 11.43 N ATOM 1549 CA LEU A 189 9.708 63.621 14.818 1.00 12.81 C ATOM 1550 C LEU A 189 9.042 64.982 14.656 1.00 12.56 C ATOM 1551 O LEU A 189 9.322 65.901 15.419 1.00 13.62 O ATOM 1552 CB LEU A 189 11.204 63.850 15.051 1.00 14.74 C ATOM 1553 CG LEU A 189 12.122 62.715 15.524 1.00 18.37 C ATOM 1554 CD1 LEU A 189 11.915 61.431 14.730 1.00 20.96 C ATOM 1555 CD2 LEU A 189 13.572 63.186 15.366 1.00 19.40 C ATOM 1556 H LEU A 189 10.071 62.994 12.862 1.00 0.00 H ATOM 1557 N ALA A 190 8.134 65.103 13.699 1.00 12.22 N ATOM 1558 CA ALA A 190 7.508 66.384 13.438 1.00 10.96 C ATOM 1559 C ALA A 190 6.032 66.477 13.800 1.00 11.00 C ATOM 1560 O ALA A 190 5.306 67.281 13.206 1.00 11.79 O ATOM 1561 CB ALA A 190 7.709 66.754 11.959 1.00 12.03 C ATOM 1562 H ALA A 190 7.856 64.329 13.166 1.00 0.00 H ATOM 1563 N TYR A 191 5.584 65.709 14.790 1.00 8.21 N ATOM 1564 CA TYR A 191 4.169 65.740 15.154 1.00 8.99 C ATOM 1565 C TYR A 191 3.743 66.778 16.205 1.00 10.58 C ATOM 1566 O TYR A 191 2.553 66.875 16.533 1.00 10.51 O ATOM 1567 CB TYR A 191 3.689 64.340 15.538 1.00 9.43 C ATOM 1568 CG TYR A 191 3.727 63.366 14.365 1.00 7.44 C ATOM 1569 CD1 TYR A 191 2.722 63.374 13.398 1.00 8.14 C ATOM 1570 CD2 TYR A 191 4.773 62.462 14.221 1.00 7.49 C ATOM 1571 CE1 TYR A 191 2.756 62.502 12.304 1.00 8.77 C ATOM 1572 CE2 TYR A 191 4.822 61.578 13.125 1.00 8.30 C ATOM 1573 CZ TYR A 191 3.803 61.608 12.174 1.00 7.99 C ATOM 1574 OH TYR A 191 3.814 60.739 11.100 1.00 9.89 O ATOM 1575 H TYR A 191 6.195 65.133 15.290 1.00 0.00 H ATOM 1576 HH TYR A 191 2.908 60.633 10.818 1.00 0.00 H ATOM 1577 N GLY A 192 4.700 67.593 16.658 1.00 10.69 N ATOM 1578 CA GLY A 192 4.431 68.628 17.650 1.00 9.33 C ATOM 1579 C GLY A 192 3.197 69.467 17.359 1.00 9.90 C ATOM 1580 O GLY A 192 2.289 69.543 18.201 1.00 9.38 O ATOM 1581 H GLY A 192 5.614 67.498 16.303 1.00 0.00 H ATOM 1582 N PRO A 193 3.116 70.108 16.171 1.00 9.59 N ATOM 1583 CA PRO A 193 1.971 70.948 15.788 1.00 9.01 C ATOM 1584 C PRO A 193 0.649 70.187 15.825 1.00 8.70 C ATOM 1585 O PRO A 193 -0.370 70.743 16.230 1.00 8.16 O ATOM 1586 CB PRO A 193 2.332 71.384 14.361 1.00 9.31 C ATOM 1587 CG PRO A 193 3.835 71.427 14.413 1.00 9.00 C ATOM 1588 CD PRO A 193 4.162 70.158 15.128 1.00 9.83 C ATOM 1589 N ASP A 194 0.675 68.919 15.413 1.00 8.14 N ATOM 1590 CA ASP A 194 -0.528 68.091 15.420 1.00 8.83 C ATOM 1591 C ASP A 194 -1.039 67.849 16.844 1.00 9.49 C ATOM 1592 O ASP A 194 -2.256 67.919 17.102 1.00 9.43 O ATOM 1593 CB ASP A 194 -0.266 66.747 14.740 1.00 9.64 C ATOM 1594 CG ASP A 194 -0.121 66.871 13.227 1.00 12.04 C ATOM 1595 OD1 ASP A 194 -0.903 67.628 12.612 1.00 12.88 O ATOM 1596 OD2 ASP A 194 0.761 66.195 12.663 1.00 14.30 O ATOM 1597 H ASP A 194 1.514 68.550 15.073 1.00 0.00 H ATOM 1598 N ALA A 195 -0.111 67.543 17.751 1.00 7.79 N ATOM 1599 CA ALA A 195 -0.452 67.291 19.155 1.00 8.97 C ATOM 1600 C ALA A 195 -1.000 68.555 19.853 1.00 10.29 C ATOM 1601 O ALA A 195 -1.779 68.460 20.813 1.00 9.33 O ATOM 1602 CB ALA A 195 0.772 66.735 19.917 1.00 7.59 C ATOM 1603 H ALA A 195 0.827 67.488 17.460 1.00 0.00 H ATOM 1604 N ARG A 196 -0.573 69.728 19.380 1.00 9.90 N ATOM 1605 CA ARG A 196 -1.025 71.010 19.934 1.00 9.88 C ATOM 1606 C ARG A 196 -2.384 71.473 19.383 1.00 9.01 C ATOM 1607 O ARG A 196 -3.069 72.291 20.011 1.00 11.22 O ATOM 1608 CB ARG A 196 0.007 72.120 19.655 1.00 9.49 C ATOM 1609 CG ARG A 196 1.369 71.926 20.290 1.00 11.07 C ATOM 1610 CD ARG A 196 2.162 73.231 20.225 1.00 12.36 C ATOM 1611 NE ARG A 196 2.842 73.441 18.948 1.00 12.97 N ATOM 1612 CZ ARG A 196 4.008 72.874 18.632 1.00 13.55 C ATOM 1613 NH1 ARG A 196 4.601 72.056 19.493 1.00 13.82 N ATOM 1614 NH2 ARG A 196 4.623 73.164 17.490 1.00 13.27 N ATOM 1615 H ARG A 196 0.085 69.732 18.653 1.00 0.00 H ATOM 1616 HE ARG A 196 2.423 74.030 18.289 1.00 0.00 H ATOM 1617 HH11 ARG A 196 4.180 71.854 20.377 1.00 0.00 H ATOM 1618 HH12 ARG A 196 5.472 71.627 19.250 1.00 0.00 H ATOM 1619 HH21 ARG A 196 4.203 73.801 16.853 1.00 0.00 H ATOM 1620 HH22 ARG A 196 5.489 72.731 17.258 1.00 0.00 H ATOM 1621 N GLY A 197 -2.774 70.985 18.212 1.00 8.77 N ATOM 1622 CA GLY A 197 -4.021 71.453 17.662 1.00 7.63 C ATOM 1623 C GLY A 197 -5.049 70.445 17.192 1.00 9.83 C ATOM 1624 O GLY A 197 -6.014 70.149 17.923 1.00 10.81 O ATOM 1625 H GLY A 197 -2.214 70.344 17.738 1.00 0.00 H ATOM 1626 N PRO A 198 -4.878 69.886 15.984 1.00 8.78 N ATOM 1627 CA PRO A 198 -5.864 68.922 15.490 1.00 9.44 C ATOM 1628 C PRO A 198 -6.129 67.666 16.318 1.00 9.62 C ATOM 1629 O PRO A 198 -7.276 67.191 16.354 1.00 9.71 O ATOM 1630 CB PRO A 198 -5.394 68.630 14.055 1.00 9.28 C ATOM 1631 CG PRO A 198 -3.946 68.983 14.061 1.00 10.21 C ATOM 1632 CD PRO A 198 -3.860 70.189 14.964 1.00 9.24 C ATOM 1633 N ALA A 199 -5.100 67.130 16.977 1.00 8.86 N ATOM 1634 CA ALA A 199 -5.304 65.925 17.797 1.00 8.99 C ATOM 1635 C ALA A 199 -6.296 66.230 18.946 1.00 9.14 C ATOM 1636 O ALA A 199 -7.367 65.611 19.043 1.00 8.33 O ATOM 1637 CB ALA A 199 -3.970 65.385 18.320 1.00 9.02 C ATOM 1638 H ALA A 199 -4.204 67.532 16.915 1.00 0.00 H ATOM 1639 N PRO A 200 -5.969 67.210 19.816 1.00 8.60 N ATOM 1640 CA PRO A 200 -6.935 67.490 20.894 1.00 8.59 C ATOM 1641 C PRO A 200 -8.272 68.003 20.340 1.00 9.31 C ATOM 1642 O PRO A 200 -9.328 67.728 20.915 1.00 8.45 O ATOM 1643 CB PRO A 200 -6.219 68.532 21.763 1.00 8.83 C ATOM 1644 CG PRO A 200 -5.180 69.150 20.842 1.00 9.16 C ATOM 1645 CD PRO A 200 -4.712 67.956 20.021 1.00 8.99 C ATOM 1646 N GLU A 201 -8.246 68.717 19.210 1.00 8.48 N ATOM 1647 CA GLU A 201 -9.501 69.185 18.629 1.00 9.49 C ATOM 1648 C GLU A 201 -10.406 68.005 18.288 1.00 10.19 C ATOM 1649 O GLU A 201 -11.616 68.039 18.562 1.00 10.77 O ATOM 1650 CB GLU A 201 -9.268 70.003 17.374 1.00 11.25 C ATOM 1651 CG GLU A 201 -10.563 70.526 16.772 1.00 14.23 C ATOM 1652 CD GLU A 201 -10.339 71.275 15.460 1.00 16.35 C ATOM 1653 OE1 GLU A 201 -9.182 71.656 15.166 1.00 16.48 O ATOM 1654 OE2 GLU A 201 -11.328 71.493 14.730 1.00 17.78 O ATOM 1655 H GLU A 201 -7.396 68.948 18.771 1.00 0.00 H ATOM 1656 N PHE A 202 -9.813 66.960 17.706 1.00 8.77 N ATOM 1657 CA PHE A 202 -10.541 65.751 17.337 1.00 8.39 C ATOM 1658 C PHE A 202 -11.112 65.068 18.593 1.00 8.76 C ATOM 1659 O PHE A 202 -12.302 64.731 18.640 1.00 7.83 O ATOM 1660 CB PHE A 202 -9.617 64.774 16.589 1.00 8.52 C ATOM 1661 CG PHE A 202 -10.274 63.459 16.252 1.00 9.91 C ATOM 1662 CD1 PHE A 202 -11.158 63.362 15.185 1.00 10.48 C ATOM 1663 CD2 PHE A 202 -10.022 62.319 17.012 1.00 10.16 C ATOM 1664 CE1 PHE A 202 -11.783 62.152 14.878 1.00 10.67 C ATOM 1665 CE2 PHE A 202 -10.643 61.111 16.707 1.00 9.99 C ATOM 1666 CZ PHE A 202 -11.521 61.032 15.642 1.00 9.22 C ATOM 1667 H PHE A 202 -8.850 66.997 17.520 1.00 0.00 H ATOM 1668 N LEU A 203 -10.248 64.857 19.590 1.00 7.52 N ATOM 1669 CA LEU A 203 -10.660 64.222 20.848 1.00 8.32 C ATOM 1670 C LEU A 203 -11.821 64.951 21.558 1.00 9.13 C ATOM 1671 O LEU A 203 -12.803 64.325 21.990 1.00 9.43 O ATOM 1672 CB LEU A 203 -9.465 64.101 21.787 1.00 8.33 C ATOM 1673 CG LEU A 203 -8.399 63.099 21.336 1.00 9.17 C ATOM 1674 CD1 LEU A 203 -7.219 63.145 22.300 1.00 8.49 C ATOM 1675 CD2 LEU A 203 -8.981 61.668 21.258 1.00 8.31 C ATOM 1676 H LEU A 203 -9.310 65.122 19.465 1.00 0.00 H ATOM 1677 N ILE A 204 -11.719 66.272 21.655 1.00 9.56 N ATOM 1678 CA ILE A 204 -12.759 67.084 22.290 1.00 10.14 C ATOM 1679 C ILE A 204 -14.082 66.959 21.521 1.00 10.35 C ATOM 1680 O ILE A 204 -15.147 66.764 22.114 1.00 8.59 O ATOM 1681 CB ILE A 204 -12.308 68.567 22.392 1.00 9.36 C ATOM 1682 CG1 ILE A 204 -11.085 68.651 23.313 1.00 10.14 C ATOM 1683 CG2 ILE A 204 -13.460 69.451 22.892 1.00 9.22 C ATOM 1684 CD1 ILE A 204 -10.241 69.904 23.127 1.00 11.47 C ATOM 1685 H ILE A 204 -10.920 66.713 21.288 1.00 0.00 H ATOM 1686 N GLU A 205 -13.999 67.008 20.194 1.00 9.64 N ATOM 1687 CA GLU A 205 -15.183 66.905 19.357 1.00 11.68 C ATOM 1688 C GLU A 205 -15.886 65.559 19.559 1.00 11.19 C ATOM 1689 O GLU A 205 -17.123 65.496 19.663 1.00 9.97 O ATOM 1690 CB GLU A 205 -14.771 67.052 17.891 1.00 16.59 C ATOM 1691 CG GLU A 205 -15.907 67.223 16.905 1.00 23.38 C ATOM 1692 CD GLU A 205 -15.417 67.155 15.458 1.00 28.76 C ATOM 1693 OE1 GLU A 205 -14.375 67.780 15.138 1.00 30.34 O ATOM 1694 OE2 GLU A 205 -16.067 66.462 14.643 1.00 32.03 O ATOM 1695 H GLU A 205 -13.119 67.119 19.776 1.00 0.00 H ATOM 1696 N LYS A 206 -15.097 64.484 19.615 1.00 9.37 N ATOM 1697 CA LYS A 206 -15.649 63.126 19.777 1.00 10.41 C ATOM 1698 C LYS A 206 -16.295 62.917 21.155 1.00 10.62 C ATOM 1699 O LYS A 206 -17.324 62.246 21.279 1.00 11.05 O ATOM 1700 CB LYS A 206 -14.575 62.059 19.470 1.00 9.60 C ATOM 1701 CG LYS A 206 -14.150 62.068 17.975 1.00 11.58 C ATOM 1702 CD LYS A 206 -15.382 61.830 17.089 1.00 14.46 C ATOM 1703 CE LYS A 206 -15.135 62.117 15.636 1.00 15.86 C ATOM 1704 NZ LYS A 206 -16.383 61.841 14.847 1.00 16.27 N ATOM 1705 H LYS A 206 -14.125 64.601 19.540 1.00 0.00 H ATOM 1706 HZ1 LYS A 206 -16.647 60.846 14.968 1.00 0.00 H ATOM 1707 HZ2 LYS A 206 -17.150 62.454 15.193 1.00 0.00 H ATOM 1708 HZ3 LYS A 206 -16.206 62.043 13.841 1.00 0.00 H ATOM 1709 N VAL A 207 -15.694 63.508 22.182 1.00 10.77 N ATOM 1710 CA VAL A 207 -16.264 63.419 23.525 1.00 10.46 C ATOM 1711 C VAL A 207 -17.595 64.191 23.562 1.00 11.93 C ATOM 1712 O VAL A 207 -18.611 63.677 24.029 1.00 12.18 O ATOM 1713 CB VAL A 207 -15.302 64.001 24.587 1.00 9.49 C ATOM 1714 CG1 VAL A 207 -16.026 64.178 25.920 1.00 8.45 C ATOM 1715 CG2 VAL A 207 -14.094 63.078 24.749 1.00 8.61 C ATOM 1716 H VAL A 207 -14.850 63.991 22.043 1.00 0.00 H ATOM 1717 N ARG A 208 -17.601 65.410 23.029 1.00 11.60 N ATOM 1718 CA ARG A 208 -18.819 66.205 23.044 1.00 13.41 C ATOM 1719 C ARG A 208 -19.922 65.612 22.189 1.00 13.45 C ATOM 1720 O ARG A 208 -21.100 65.782 22.505 1.00 14.28 O ATOM 1721 CB ARG A 208 -18.538 67.661 22.676 1.00 15.80 C ATOM 1722 CG ARG A 208 -17.758 68.379 23.785 1.00 19.02 C ATOM 1723 CD ARG A 208 -17.585 69.853 23.526 1.00 22.74 C ATOM 1724 NE ARG A 208 -16.830 70.492 24.601 1.00 25.53 N ATOM 1725 CZ ARG A 208 -15.913 71.442 24.410 1.00 27.75 C ATOM 1726 NH1 ARG A 208 -15.632 71.874 23.183 1.00 28.36 N ATOM 1727 NH2 ARG A 208 -15.272 71.968 25.449 1.00 29.54 N ATOM 1728 H ARG A 208 -16.775 65.782 22.647 1.00 0.00 H ATOM 1729 HE ARG A 208 -17.030 70.229 25.509 1.00 0.00 H ATOM 1730 HH11 ARG A 208 -16.115 71.484 22.397 1.00 0.00 H ATOM 1731 HH12 ARG A 208 -14.947 72.585 23.035 1.00 0.00 H ATOM 1732 HH21 ARG A 208 -15.475 71.674 26.381 1.00 0.00 H ATOM 1733 HH22 ARG A 208 -14.591 72.686 25.287 1.00 0.00 H ATOM 1734 N ALA A 209 -19.542 64.882 21.134 1.00 12.86 N ATOM 1735 CA ALA A 209 -20.522 64.239 20.250 1.00 13.27 C ATOM 1736 C ALA A 209 -21.371 63.275 21.083 1.00 13.15 C ATOM 1737 O ALA A 209 -22.588 63.189 20.897 1.00 13.34 O ATOM 1738 CB ALA A 209 -19.821 63.469 19.110 1.00 11.62 C ATOM 1739 H ALA A 209 -18.584 64.775 20.938 1.00 0.00 H ATOM 1740 N VAL A 210 -20.742 62.573 22.018 1.00 12.54 N ATOM 1741 CA VAL A 210 -21.498 61.626 22.839 1.00 14.04 C ATOM 1742 C VAL A 210 -21.996 62.179 24.174 1.00 13.77 C ATOM 1743 O VAL A 210 -23.074 61.803 24.634 1.00 14.15 O ATOM 1744 CB VAL A 210 -20.725 60.288 23.093 1.00 12.90 C ATOM 1745 CG1 VAL A 210 -20.496 59.548 21.772 1.00 15.19 C ATOM 1746 CG2 VAL A 210 -19.430 60.538 23.822 1.00 12.58 C ATOM 1747 H VAL A 210 -19.774 62.659 22.138 1.00 0.00 H ATOM 1748 N ARG A 211 -21.255 63.101 24.769 1.00 14.35 N ATOM 1749 CA ARG A 211 -21.668 63.635 26.062 1.00 17.69 C ATOM 1750 C ARG A 211 -22.499 64.896 25.955 1.00 20.65 C ATOM 1751 O ARG A 211 -23.201 65.268 26.899 1.00 20.92 O ATOM 1752 CB ARG A 211 -20.454 63.920 26.945 1.00 17.40 C ATOM 1753 CG ARG A 211 -19.602 62.701 27.268 1.00 17.54 C ATOM 1754 CD ARG A 211 -18.599 63.037 28.362 1.00 17.57 C ATOM 1755 NE ARG A 211 -19.267 63.378 29.614 1.00 18.54 N ATOM 1756 CZ ARG A 211 -19.568 62.504 30.573 1.00 18.51 C ATOM 1757 NH1 ARG A 211 -19.258 61.216 30.448 1.00 16.78 N ATOM 1758 NH2 ARG A 211 -20.207 62.925 31.661 1.00 20.62 N ATOM 1759 H ARG A 211 -20.430 63.406 24.345 1.00 0.00 H ATOM 1760 HE ARG A 211 -19.508 64.318 29.762 1.00 0.00 H ATOM 1761 HH11 ARG A 211 -18.798 60.886 29.629 1.00 0.00 H ATOM 1762 HH12 ARG A 211 -19.493 60.576 31.180 1.00 0.00 H ATOM 1763 HH21 ARG A 211 -20.469 63.889 31.745 1.00 0.00 H ATOM 1764 HH22 ARG A 211 -20.442 62.276 32.384 1.00 0.00 H ATOM 1765 N GLY A 212 -22.473 65.510 24.781 1.00 23.18 N ATOM 1766 CA GLY A 212 -23.180 66.759 24.595 1.00 29.35 C ATOM 1767 C GLY A 212 -22.320 67.790 25.300 1.00 34.01 C ATOM 1768 O GLY A 212 -21.111 67.587 25.471 1.00 34.17 O ATOM 1769 H GLY A 212 -21.988 65.124 24.035 1.00 0.00 H ATOM 1770 N SER A 213 -22.927 68.882 25.740 1.00 39.93 N ATOM 1771 CA SER A 213 -22.177 69.912 26.445 1.00 45.32 C ATOM 1772 C SER A 213 -23.118 71.004 26.930 1.00 47.41 C ATOM 1773 O SER A 213 -22.892 71.483 28.065 1.00 49.45 O ATOM 1774 CB SER A 213 -21.088 70.508 25.542 1.00 46.77 C ATOM 1775 OG SER A 213 -20.120 71.195 26.320 1.00 48.90 O ATOM 1776 H SER A 213 -23.886 69.053 25.648 1.00 0.00 H ATOM 1777 HG SER A 213 -20.719 71.693 26.923 1.00 0.00 H TER 1778 SER A 213 HETATM 1779 O HOH A 501 0.602 69.065 30.284 1.00 22.87 O HETATM 1780 H1 HOH A 501 0.425 69.527 29.448 1.00 0.00 H HETATM 1781 H2 HOH A 501 -0.011 69.498 30.906 1.00 0.00 H HETATM 1782 O HOH A 502 -8.636 73.150 24.228 1.00 18.80 O HETATM 1783 H1 HOH A 502 -7.899 73.016 23.618 1.00 0.00 H HETATM 1784 H2 HOH A 502 -8.581 72.352 24.774 1.00 0.00 H HETATM 1785 O HOH A 503 8.591 48.163 24.462 1.00 10.49 O HETATM 1786 H1 HOH A 503 7.732 48.133 24.895 1.00 0.00 H HETATM 1787 H2 HOH A 503 9.148 47.677 25.077 1.00 0.00 H HETATM 1788 O HOH A 504 -5.927 53.035 42.003 1.00 20.53 O HETATM 1789 H1 HOH A 504 -5.676 53.650 42.708 1.00 0.00 H HETATM 1790 H2 HOH A 504 -5.554 53.596 41.317 1.00 0.00 H HETATM 1791 O HOH A 505 -18.919 54.944 15.636 1.00 22.85 O HETATM 1792 H1 HOH A 505 -18.401 55.751 15.576 1.00 0.00 H HETATM 1793 H2 HOH A 505 -19.575 55.343 16.240 1.00 0.00 H HETATM 1794 O HOH A 506 -15.818 54.118 31.780 1.00 18.48 O HETATM 1795 H1 HOH A 506 -15.858 55.055 31.970 1.00 0.00 H HETATM 1796 H2 HOH A 506 -15.788 53.717 32.649 1.00 0.00 H HETATM 1797 O HOH A 507 -10.242 52.223 13.015 1.00 12.58 O HETATM 1798 H1 HOH A 507 -10.786 52.124 13.802 1.00 0.00 H HETATM 1799 H2 HOH A 507 -10.542 53.103 12.756 1.00 0.00 H HETATM 1800 O HOH A 509 10.342 57.683 9.633 1.00 9.09 O HETATM 1801 H1 HOH A 509 9.695 58.305 9.307 1.00 0.00 H HETATM 1802 H2 HOH A 509 10.596 57.147 8.871 1.00 0.00 H HETATM 1803 O HOH A 510 3.593 55.741 27.794 1.00 7.25 O HETATM 1804 H1 HOH A 510 3.855 55.121 28.490 1.00 0.00 H HETATM 1805 H2 HOH A 510 2.991 56.300 28.307 1.00 0.00 H HETATM 1806 O HOH A 511 4.675 61.182 23.233 1.00 8.87 O HETATM 1807 H1 HOH A 511 3.761 61.473 23.166 1.00 0.00 H HETATM 1808 H2 HOH A 511 4.558 60.339 22.788 1.00 0.00 H HETATM 1809 O HOH A 512 -2.102 48.131 34.001 1.00 21.75 O HETATM 1810 H1 HOH A 512 -1.646 48.804 33.471 1.00 0.00 H HETATM 1811 H2 HOH A 512 -2.654 47.734 33.327 1.00 0.00 H HETATM 1812 O HOH A 513 3.096 51.098 8.253 1.00 10.39 O HETATM 1813 H1 HOH A 513 3.587 50.350 8.627 1.00 0.00 H HETATM 1814 H2 HOH A 513 3.368 51.771 8.889 1.00 0.00 H HETATM 1815 O HOH A 514 6.091 49.766 9.558 1.00 13.05 O HETATM 1816 H1 HOH A 514 6.627 49.292 10.200 1.00 0.00 H HETATM 1817 H2 HOH A 514 5.623 50.386 10.132 1.00 0.00 H HETATM 1818 O HOH A 515 -8.941 67.577 13.993 1.00 18.76 O HETATM 1819 H1 HOH A 515 -9.008 66.632 13.872 1.00 0.00 H HETATM 1820 H2 HOH A 515 -9.794 67.753 14.432 1.00 0.00 H HETATM 1821 O HOH A 516 1.209 66.880 31.930 1.00 20.95 O HETATM 1822 H1 HOH A 516 0.790 67.680 31.552 1.00 0.00 H HETATM 1823 H2 HOH A 516 1.435 66.411 31.122 1.00 0.00 H HETATM 1824 O HOH A 517 8.324 62.391 34.331 1.00 22.00 O HETATM 1825 H1 HOH A 517 9.170 61.926 34.466 1.00 0.00 H HETATM 1826 H2 HOH A 517 8.591 63.138 33.777 1.00 0.00 H HETATM 1827 O HOH A 518 -0.841 62.309 37.955 1.00 14.86 O HETATM 1828 H1 HOH A 518 -1.205 63.197 37.961 1.00 0.00 H HETATM 1829 H2 HOH A 518 -0.398 62.288 38.816 1.00 0.00 H HETATM 1830 O HOH A 519 2.272 54.660 35.213 1.00 19.55 O HETATM 1831 H1 HOH A 519 2.168 55.514 34.753 1.00 0.00 H HETATM 1832 H2 HOH A 519 1.707 54.828 35.976 1.00 0.00 H HETATM 1833 O HOH A 520 4.242 56.284 37.000 1.00 28.85 O HETATM 1834 H1 HOH A 520 4.994 56.596 37.520 1.00 0.00 H HETATM 1835 H2 HOH A 520 4.512 55.368 36.775 1.00 0.00 H HETATM 1836 O HOH A 521 2.614 59.194 39.677 1.00 16.25 O HETATM 1837 H1 HOH A 521 3.252 58.519 39.409 1.00 0.00 H HETATM 1838 H2 HOH A 521 2.326 58.841 40.544 1.00 0.00 H HETATM 1839 O HOH A 522 -6.645 56.229 44.175 1.00 17.36 O HETATM 1840 H1 HOH A 522 -7.193 56.154 43.387 1.00 0.00 H HETATM 1841 H2 HOH A 522 -6.457 57.169 44.103 1.00 0.00 H HETATM 1842 O HOH A 524 -9.300 56.398 45.464 1.00 24.93 O HETATM 1843 H1 HOH A 524 -9.435 55.440 45.430 1.00 0.00 H HETATM 1844 H2 HOH A 524 -9.002 56.525 46.362 1.00 0.00 H HETATM 1845 O HOH A 525 -17.916 56.900 36.631 1.00 17.62 O HETATM 1846 H1 HOH A 525 -17.396 57.150 37.420 1.00 0.00 H HETATM 1847 H2 HOH A 525 -18.586 57.603 36.670 1.00 0.00 H HETATM 1848 O HOH A 526 -17.447 59.534 35.320 1.00 22.45 O HETATM 1849 H1 HOH A 526 -16.638 59.891 34.954 1.00 0.00 H HETATM 1850 H2 HOH A 526 -18.120 60.020 34.793 1.00 0.00 H HETATM 1851 O HOH A 527 7.664 47.326 26.927 1.00 23.36 O HETATM 1852 H1 HOH A 527 7.550 46.487 26.455 1.00 0.00 H HETATM 1853 H2 HOH A 527 7.891 46.948 27.794 1.00 0.00 H HETATM 1854 O HOH A 528 7.442 52.186 32.209 1.00 35.67 O HETATM 1855 H1 HOH A 528 7.025 52.361 31.349 1.00 0.00 H HETATM 1856 H2 HOH A 528 7.144 51.290 32.407 1.00 0.00 H HETATM 1857 O HOH A 529 8.911 53.596 17.920 1.00 41.58 O HETATM 1858 H1 HOH A 529 9.266 52.787 17.505 1.00 0.00 H HETATM 1859 H2 HOH A 529 9.157 54.255 17.260 1.00 0.00 H HETATM 1860 O HOH A 530 6.074 48.012 14.148 1.00 20.12 O HETATM 1861 H1 HOH A 530 6.516 48.037 15.004 1.00 0.00 H HETATM 1862 H2 HOH A 530 6.681 48.491 13.582 1.00 0.00 H HETATM 1863 O HOH A 531 5.750 49.718 16.612 1.00 11.36 O HETATM 1864 H1 HOH A 531 6.399 50.005 17.260 1.00 0.00 H HETATM 1865 H2 HOH A 531 5.328 48.999 17.087 1.00 0.00 H HETATM 1866 O HOH A 532 6.474 44.067 13.660 1.00 18.54 O HETATM 1867 H1 HOH A 532 6.280 44.847 13.136 1.00 0.00 H HETATM 1868 H2 HOH A 532 6.490 44.435 14.549 1.00 0.00 H HETATM 1869 O HOH A 533 5.824 47.280 11.334 1.00 28.20 O HETATM 1870 H1 HOH A 533 5.407 46.666 10.740 1.00 0.00 H HETATM 1871 H2 HOH A 533 5.213 47.324 12.088 1.00 0.00 H HETATM 1872 O HOH A 534 -0.321 47.001 16.645 1.00 12.24 O HETATM 1873 H1 HOH A 534 -1.128 46.635 16.269 1.00 0.00 H HETATM 1874 H2 HOH A 534 -0.549 47.251 17.545 1.00 0.00 H HETATM 1875 O HOH A 535 -4.263 45.980 16.370 1.00 31.55 O HETATM 1876 H1 HOH A 535 -4.287 45.302 17.045 1.00 0.00 H HETATM 1877 H2 HOH A 535 -3.376 45.867 15.981 1.00 0.00 H HETATM 1878 O HOH A 536 -19.183 67.327 18.735 1.00 30.55 O HETATM 1879 H1 HOH A 536 -19.561 67.315 19.612 1.00 0.00 H HETATM 1880 H2 HOH A 536 -18.273 67.048 18.903 1.00 0.00 H HETATM 1881 O HOH A 537 -18.308 64.073 15.637 1.00 36.45 O HETATM 1882 H1 HOH A 537 -18.493 63.163 15.882 1.00 0.00 H HETATM 1883 H2 HOH A 537 -17.737 64.378 16.341 1.00 0.00 H HETATM 1884 O HOH A 538 -2.318 42.841 16.153 1.00 31.58 O HETATM 1885 H1 HOH A 538 -1.580 42.229 16.013 1.00 0.00 H HETATM 1886 H2 HOH A 538 -3.086 42.250 16.161 1.00 0.00 H HETATM 1887 O HOH A 539 10.575 61.186 20.632 1.00 15.79 O HETATM 1888 H1 HOH A 539 9.964 61.836 20.986 1.00 0.00 H HETATM 1889 H2 HOH A 539 11.356 61.718 20.456 1.00 0.00 H HETATM 1890 O HOH A 540 14.315 52.434 23.506 1.00 10.17 O HETATM 1891 H1 HOH A 540 15.257 52.664 23.445 1.00 0.00 H HETATM 1892 H2 HOH A 540 14.180 52.374 24.477 1.00 0.00 H HETATM 1893 O HOH A 541 13.671 52.348 26.277 1.00 22.24 O HETATM 1894 H1 HOH A 541 12.862 52.846 26.107 1.00 0.00 H HETATM 1895 H2 HOH A 541 13.522 52.140 27.216 1.00 0.00 H HETATM 1896 O HOH A 542 9.900 62.227 26.405 1.00 15.38 O HETATM 1897 H1 HOH A 542 10.687 62.721 26.674 1.00 0.00 H HETATM 1898 H2 HOH A 542 10.154 61.978 25.505 1.00 0.00 H HETATM 1899 O HOH A 543 8.230 64.423 19.233 1.00 18.62 O HETATM 1900 H1 HOH A 543 9.193 64.603 19.396 1.00 0.00 H HETATM 1901 H2 HOH A 543 8.357 63.704 18.598 1.00 0.00 H HETATM 1902 O HOH A 545 -6.432 66.155 35.931 1.00 47.33 O HETATM 1903 H1 HOH A 545 -6.881 65.603 35.282 1.00 0.00 H HETATM 1904 H2 HOH A 545 -7.165 66.733 36.178 1.00 0.00 H HETATM 1905 O HOH A 546 0.982 52.513 33.909 1.00 17.91 O HETATM 1906 H1 HOH A 546 0.393 52.127 34.557 1.00 0.00 H HETATM 1907 H2 HOH A 546 1.261 53.341 34.357 1.00 0.00 H HETATM 1908 O HOH A 547 14.825 49.904 27.002 1.00 20.33 O HETATM 1909 H1 HOH A 547 15.790 49.899 26.995 1.00 0.00 H HETATM 1910 H2 HOH A 547 14.592 50.686 26.484 1.00 0.00 H HETATM 1911 O HOH A 548 4.035 41.374 19.650 1.00 16.25 O HETATM 1912 H1 HOH A 548 4.961 41.513 19.881 1.00 0.00 H HETATM 1913 H2 HOH A 548 3.647 42.157 20.073 1.00 0.00 H HETATM 1914 O HOH A 550 6.293 40.475 26.648 1.00 21.38 O HETATM 1915 H1 HOH A 550 6.548 39.716 27.185 1.00 0.00 H HETATM 1916 H2 HOH A 550 6.670 40.259 25.777 1.00 0.00 H HETATM 1917 O HOH A 551 6.393 40.125 23.680 1.00 14.66 O HETATM 1918 H1 HOH A 551 5.953 39.258 23.846 1.00 0.00 H HETATM 1919 H2 HOH A 551 6.402 40.120 22.710 1.00 0.00 H HETATM 1920 O HOH A 552 -0.538 39.412 22.020 1.00 25.77 O HETATM 1921 H1 HOH A 552 -0.297 40.246 22.423 1.00 0.00 H HETATM 1922 H2 HOH A 552 0.271 39.114 21.608 1.00 0.00 H HETATM 1923 O HOH A 553 1.808 39.216 29.446 1.00 36.83 O HETATM 1924 H1 HOH A 553 1.823 39.871 28.749 1.00 0.00 H HETATM 1925 H2 HOH A 553 2.305 38.480 29.073 1.00 0.00 H HETATM 1926 O HOH A 554 -3.690 40.605 24.868 1.00 20.43 O HETATM 1927 H1 HOH A 554 -4.190 40.717 25.688 1.00 0.00 H HETATM 1928 H2 HOH A 554 -4.354 40.121 24.366 1.00 0.00 H HETATM 1929 O HOH A 555 2.391 43.356 31.816 1.00 20.70 O HETATM 1930 H1 HOH A 555 3.336 43.370 32.014 1.00 0.00 H HETATM 1931 H2 HOH A 555 2.344 43.912 31.030 1.00 0.00 H HETATM 1932 O HOH A 556 -7.004 46.399 36.036 1.00 36.91 O HETATM 1933 H1 HOH A 556 -6.959 45.774 35.304 1.00 0.00 H HETATM 1934 H2 HOH A 556 -6.093 46.470 36.322 1.00 0.00 H HETATM 1935 O HOH A 557 -10.600 43.510 28.110 1.00 29.23 O HETATM 1936 H1 HOH A 557 -11.227 42.871 28.453 1.00 0.00 H HETATM 1937 H2 HOH A 557 -10.742 44.303 28.636 1.00 0.00 H HETATM 1938 O HOH A 558 -21.593 58.050 30.291 1.00 34.78 O HETATM 1939 H1 HOH A 558 -21.044 58.024 31.080 1.00 0.00 H HETATM 1940 H2 HOH A 558 -22.445 57.720 30.591 1.00 0.00 H HETATM 1941 O HOH A 559 -4.404 42.300 14.244 1.00 41.87 O HETATM 1942 H1 HOH A 559 -3.966 43.158 14.238 1.00 0.00 H HETATM 1943 H2 HOH A 559 -4.014 41.821 13.504 1.00 0.00 H HETATM 1944 O HOH A 560 -10.632 40.930 19.888 1.00 45.71 O HETATM 1945 H1 HOH A 560 -11.538 41.045 20.197 1.00 0.00 H HETATM 1946 H2 HOH A 560 -10.301 41.831 20.003 1.00 0.00 H HETATM 1947 O HOH A 561 -17.505 59.675 19.586 1.00 15.12 O HETATM 1948 H1 HOH A 561 -16.683 60.100 19.841 1.00 0.00 H HETATM 1949 H2 HOH A 561 -17.201 58.762 19.527 1.00 0.00 H HETATM 1950 O HOH A 562 -19.434 59.939 17.544 1.00 29.97 O HETATM 1951 H1 HOH A 562 -18.732 60.017 18.223 1.00 0.00 H HETATM 1952 H2 HOH A 562 -18.907 59.785 16.728 1.00 0.00 H HETATM 1953 O HOH A 564 -11.198 48.203 11.871 1.00 22.83 O HETATM 1954 H1 HOH A 564 -11.888 48.870 11.899 1.00 0.00 H HETATM 1955 H2 HOH A 564 -10.455 48.681 12.249 1.00 0.00 H HETATM 1956 O HOH A 565 0.889 64.867 10.327 1.00 28.25 O HETATM 1957 H1 HOH A 565 1.078 64.044 10.775 1.00 0.00 H HETATM 1958 H2 HOH A 565 0.111 64.593 9.782 1.00 0.00 H HETATM 1959 O HOH A 566 -2.535 60.878 8.329 1.00 22.04 O HETATM 1960 H1 HOH A 566 -2.315 60.038 7.913 1.00 0.00 H HETATM 1961 H2 HOH A 566 -3.381 60.644 8.735 1.00 0.00 H HETATM 1962 O HOH A 567 15.129 62.450 7.318 1.00 33.26 O HETATM 1963 H1 HOH A 567 15.268 63.272 6.823 1.00 0.00 H HETATM 1964 H2 HOH A 567 16.017 62.069 7.279 1.00 0.00 H HETATM 1965 O HOH A 568 16.934 57.936 8.479 1.00 31.86 O HETATM 1966 H1 HOH A 568 16.613 58.487 9.199 1.00 0.00 H HETATM 1967 H2 HOH A 568 17.633 57.433 8.904 1.00 0.00 H HETATM 1968 O HOH A 569 15.756 60.414 12.401 1.00 34.14 O HETATM 1969 H1 HOH A 569 15.004 60.980 12.197 1.00 0.00 H HETATM 1970 H2 HOH A 569 15.615 59.626 11.863 1.00 0.00 H HETATM 1971 O HOH A 570 6.765 71.356 17.527 1.00 40.60 O HETATM 1972 H1 HOH A 570 7.235 72.173 17.324 1.00 0.00 H HETATM 1973 H2 HOH A 570 7.448 70.688 17.525 1.00 0.00 H HETATM 1974 O HOH A 571 12.538 48.847 8.195 1.00 31.67 O HETATM 1975 H1 HOH A 571 12.573 48.180 7.500 1.00 0.00 H HETATM 1976 H2 HOH A 571 13.192 48.536 8.825 1.00 0.00 H HETATM 1977 O HOH A 572 -3.230 68.077 37.592 1.00 74.26 O HETATM 1978 H1 HOH A 572 -3.545 68.929 37.916 1.00 0.00 H HETATM 1979 H2 HOH A 572 -4.023 67.688 37.208 1.00 0.00 H HETATM 1980 O HOH A 573 3.992 67.961 25.009 1.00 31.02 O HETATM 1981 H1 HOH A 573 4.622 67.529 24.432 1.00 0.00 H HETATM 1982 H2 HOH A 573 4.611 68.228 25.720 1.00 0.00 H HETATM 1983 O HOH A 574 4.599 53.672 36.453 1.00 43.18 O HETATM 1984 H1 HOH A 574 4.803 52.757 36.659 1.00 0.00 H HETATM 1985 H2 HOH A 574 3.629 53.550 36.363 1.00 0.00 H HETATM 1986 O HOH A 575 -6.408 62.163 39.682 1.00 18.64 O HETATM 1987 H1 HOH A 575 -6.827 61.422 40.121 1.00 0.00 H HETATM 1988 H2 HOH A 575 -5.472 62.056 39.901 1.00 0.00 H HETATM 1989 O HOH A 578 12.033 51.845 14.684 1.00 36.63 O HETATM 1990 H1 HOH A 578 12.865 51.981 14.196 1.00 0.00 H HETATM 1991 H2 HOH A 578 12.205 51.037 15.170 1.00 0.00 H HETATM 1992 O HOH A 579 14.957 52.748 14.395 1.00 38.41 O HETATM 1993 H1 HOH A 579 15.208 53.095 13.522 1.00 0.00 H HETATM 1994 H2 HOH A 579 15.268 53.466 14.974 1.00 0.00 H HETATM 1995 O HOH A 580 15.815 54.075 11.976 1.00 18.63 O HETATM 1996 H1 HOH A 580 16.596 54.028 11.408 1.00 0.00 H HETATM 1997 H2 HOH A 580 15.887 54.914 12.438 1.00 0.00 H HETATM 1998 O HOH A 582 11.630 66.725 12.306 1.00 31.96 O HETATM 1999 H1 HOH A 582 12.386 67.256 12.027 1.00 0.00 H HETATM 2000 H2 HOH A 582 11.088 67.325 12.817 1.00 0.00 H HETATM 2001 O HOH A 583 6.918 63.936 16.646 1.00 10.67 O HETATM 2002 H1 HOH A 583 7.061 64.110 17.581 1.00 0.00 H HETATM 2003 H2 HOH A 583 7.282 63.045 16.502 1.00 0.00 H HETATM 2004 O HOH A 584 3.792 69.720 21.116 1.00 44.05 O HETATM 2005 H1 HOH A 584 4.409 69.341 21.760 1.00 0.00 H HETATM 2006 H2 HOH A 584 4.378 69.751 20.360 1.00 0.00 H HETATM 2007 O HOH A 585 7.422 68.000 16.712 1.00 27.06 O HETATM 2008 H1 HOH A 585 7.383 68.007 17.684 1.00 0.00 H HETATM 2009 H2 HOH A 585 7.902 68.803 16.496 1.00 0.00 H HETATM 2010 O HOH A 586 1.199 66.626 8.227 1.00 57.21 O HETATM 2011 H1 HOH A 586 1.936 67.232 8.358 1.00 0.00 H HETATM 2012 H2 HOH A 586 1.135 66.179 9.104 1.00 0.00 H HETATM 2013 O HOH A 587 -0.645 70.679 12.818 1.00 58.23 O HETATM 2014 H1 HOH A 587 -1.072 71.177 12.120 1.00 0.00 H HETATM 2015 H2 HOH A 587 -0.740 71.267 13.581 1.00 0.00 H HETATM 2016 O HOH A 588 2.468 65.396 5.815 1.00 34.99 O HETATM 2017 H1 HOH A 588 2.462 66.193 5.286 1.00 0.00 H HETATM 2018 H2 HOH A 588 1.952 65.710 6.590 1.00 0.00 H HETATM 2019 O HOH A 589 -11.809 73.363 12.707 1.00 42.43 O HETATM 2020 H1 HOH A 589 -11.721 74.082 12.088 1.00 0.00 H HETATM 2021 H2 HOH A 589 -10.938 73.284 13.105 1.00 0.00 H HETATM 2022 O HOH A 590 -13.139 70.307 19.006 1.00 20.03 O HETATM 2023 H1 HOH A 590 -12.745 69.455 19.216 1.00 0.00 H HETATM 2024 H2 HOH A 590 -12.643 70.912 19.606 1.00 0.00 H HETATM 2025 O HOH A 593 -11.653 67.381 14.534 1.00 37.83 O HETATM 2026 H1 HOH A 593 -12.106 66.572 14.768 1.00 0.00 H HETATM 2027 H2 HOH A 593 -12.358 67.959 14.212 1.00 0.00 H HETATM 2028 O HOH A 594 -16.087 69.966 19.461 1.00 39.55 O HETATM 2029 H1 HOH A 594 -16.608 70.605 19.939 1.00 0.00 H HETATM 2030 H2 HOH A 594 -15.347 70.464 19.088 1.00 0.00 H HETATM 2031 O HOH A 595 -24.185 64.654 19.273 1.00 31.07 O HETATM 2032 H1 HOH A 595 -23.486 64.190 19.732 1.00 0.00 H HETATM 2033 H2 HOH A 595 -23.742 64.928 18.463 1.00 0.00 H HETATM 2034 O HOH A 596 11.930 45.968 27.220 1.00 48.16 O HETATM 2035 H1 HOH A 596 12.407 45.938 28.054 1.00 0.00 H HETATM 2036 H2 HOH A 596 11.101 45.524 27.402 1.00 0.00 H HETATM 2037 O HOH A 597 8.092 44.917 30.420 1.00 29.96 O HETATM 2038 H1 HOH A 597 8.953 45.204 30.721 1.00 0.00 H HETATM 2039 H2 HOH A 597 8.110 45.169 29.486 1.00 0.00 H HETATM 2040 O HOH A 598 11.777 60.470 4.627 1.00 23.39 O HETATM 2041 H1 HOH A 598 11.016 60.647 5.186 1.00 0.00 H HETATM 2042 H2 HOH A 598 11.580 59.584 4.310 1.00 0.00 H HETATM 2043 O HOH A 600 -14.889 43.339 14.383 1.00 79.63 O HETATM 2044 H1 HOH A 600 -14.191 42.949 14.922 1.00 0.00 H HETATM 2045 H2 HOH A 600 -15.485 42.605 14.230 1.00 0.00 H HETATM 2046 O HOH A 601 4.920 65.018 35.610 1.00 50.47 O HETATM 2047 H1 HOH A 601 4.736 64.083 35.813 1.00 0.00 H HETATM 2048 H2 HOH A 601 4.913 65.352 36.521 1.00 0.00 H HETATM 2049 O HOH A 602 -9.597 62.171 42.299 1.00 50.18 O HETATM 2050 H1 HOH A 602 -10.442 62.319 41.842 1.00 0.00 H HETATM 2051 H2 HOH A 602 -9.699 62.709 43.087 1.00 0.00 H HETATM 2052 O HOH A 603 15.371 58.284 27.349 1.00 20.06 O HETATM 2053 H1 HOH A 603 15.694 59.146 27.074 1.00 0.00 H HETATM 2054 H2 HOH A 603 15.159 58.416 28.274 1.00 0.00 H HETATM 2055 O HOH A 604 11.191 55.002 28.492 1.00 32.04 O HETATM 2056 H1 HOH A 604 11.220 55.835 28.020 1.00 0.00 H HETATM 2057 H2 HOH A 604 12.080 54.652 28.302 1.00 0.00 H HETATM 2058 O HOH A 605 11.542 58.758 32.588 1.00 31.43 O HETATM 2059 H1 HOH A 605 11.455 59.430 33.299 1.00 0.00 H HETATM 2060 H2 HOH A 605 10.862 58.118 32.842 1.00 0.00 H HETATM 2061 O HOH A 607 6.198 68.554 21.481 1.00 32.52 O HETATM 2062 H1 HOH A 607 6.062 67.833 22.117 1.00 0.00 H HETATM 2063 H2 HOH A 607 6.779 68.137 20.821 1.00 0.00 H HETATM 2064 O HOH A 608 7.725 67.258 19.314 1.00 31.72 O HETATM 2065 H1 HOH A 608 7.836 66.356 19.654 1.00 0.00 H HETATM 2066 H2 HOH A 608 8.425 67.222 18.644 1.00 0.00 H HETATM 2067 O HOH A 609 -4.767 63.345 9.721 1.00 40.11 O HETATM 2068 H1 HOH A 609 -4.521 62.411 9.794 1.00 0.00 H HETATM 2069 H2 HOH A 609 -5.693 63.231 9.488 1.00 0.00 H HETATM 2070 O HOH A 610 -15.762 51.817 10.421 1.00 27.17 O HETATM 2071 H1 HOH A 610 -16.394 51.678 9.695 1.00 0.00 H HETATM 2072 H2 HOH A 610 -15.411 50.927 10.547 1.00 0.00 H HETATM 2073 O HOH A 612 -17.205 69.846 27.366 1.00 55.98 O HETATM 2074 H1 HOH A 612 -18.139 70.042 27.249 1.00 0.00 H HETATM 2075 H2 HOH A 612 -17.213 69.149 28.036 1.00 0.00 H HETATM 2076 O HOH A 616 8.737 52.588 4.077 1.00 34.48 O HETATM 2077 H1 HOH A 616 8.339 53.066 4.803 1.00 0.00 H HETATM 2078 H2 HOH A 616 8.043 51.987 3.772 1.00 0.00 H HETATM 2079 O HOH A 618 -16.769 55.017 41.096 1.00 43.10 O HETATM 2080 H1 HOH A 618 -16.206 55.434 41.765 1.00 0.00 H HETATM 2081 H2 HOH A 618 -16.226 54.279 40.799 1.00 0.00 H HETATM 2082 O HOH A 619 9.442 43.091 12.173 1.00 52.28 O HETATM 2083 H1 HOH A 619 9.107 43.304 11.310 1.00 0.00 H HETATM 2084 H2 HOH A 619 8.653 42.936 12.703 1.00 0.00 H HETATM 2085 O HOH A 621 -9.618 40.756 16.767 1.00 41.72 O HETATM 2086 H1 HOH A 621 -8.727 40.835 17.117 1.00 0.00 H HETATM 2087 H2 HOH A 621 -10.082 40.310 17.483 1.00 0.00 H HETATM 2088 O HOH A 623 8.316 44.779 27.581 1.00 33.87 O HETATM 2089 H1 HOH A 623 7.477 44.531 27.170 1.00 0.00 H HETATM 2090 H2 HOH A 623 8.710 43.893 27.710 1.00 0.00 H HETATM 2091 O HOH A 624 -6.130 39.794 25.602 1.00 46.26 O HETATM 2092 H1 HOH A 624 -6.434 38.920 25.874 1.00 0.00 H HETATM 2093 H2 HOH A 624 -6.944 40.120 25.179 1.00 0.00 H HETATM 2094 O HOH A 630 -13.728 71.093 16.344 1.00 29.28 O HETATM 2095 H1 HOH A 630 -13.527 71.127 17.294 1.00 0.00 H HETATM 2096 H2 HOH A 630 -13.398 70.218 16.133 1.00 0.00 H HETATM 2097 O HOH A 631 -0.378 40.521 26.339 1.00 44.72 O HETATM 2098 H1 HOH A 631 0.125 41.321 26.191 1.00 0.00 H HETATM 2099 H2 HOH A 631 -1.118 40.597 25.717 1.00 0.00 H HETATM 2100 O HOH A 633 -18.511 67.316 26.970 1.00 50.08 O HETATM 2101 H1 HOH A 633 -18.920 68.089 26.564 1.00 0.00 H HETATM 2102 H2 HOH A 633 -18.919 66.607 26.471 1.00 0.00 H HETATM 2103 O HOH A 637 -19.402 61.127 34.265 1.00 68.99 O HETATM 2104 H1 HOH A 637 -19.874 61.699 34.882 1.00 0.00 H HETATM 2105 H2 HOH A 637 -20.180 60.775 33.786 1.00 0.00 H HETATM 2106 O HOH A 638 1.944 72.962 24.014 1.00 54.38 O HETATM 2107 H1 HOH A 638 2.874 72.975 24.206 1.00 0.00 H HETATM 2108 H2 HOH A 638 1.648 72.143 24.404 1.00 0.00 H HETATM 2109 O HOH A 640 1.243 49.688 36.565 1.00 70.88 O HETATM 2110 H1 HOH A 640 1.741 49.175 37.238 1.00 0.00 H HETATM 2111 H2 HOH A 640 0.992 48.950 36.006 1.00 0.00 H HETATM 2112 O HOH A 642 2.651 36.678 26.464 1.00 49.50 O HETATM 2113 H1 HOH A 642 2.517 37.307 25.753 1.00 0.00 H HETATM 2114 H2 HOH A 642 2.671 35.837 25.987 1.00 0.00 H HETATM 2115 O HOH A 643 -9.978 50.676 39.138 1.00 45.48 O HETATM 2116 H1 HOH A 643 -9.091 50.928 39.432 1.00 0.00 H HETATM 2117 H2 HOH A 643 -10.112 51.306 38.424 1.00 0.00 H HETATM 2118 O HOH A 644 -19.081 55.023 30.188 1.00 54.39 O HETATM 2119 H1 HOH A 644 -18.823 54.643 31.039 1.00 0.00 H HETATM 2120 H2 HOH A 644 -18.228 55.171 29.778 1.00 0.00 H HETATM 2121 O HOH A 645 -9.005 39.455 24.589 1.00 59.58 O HETATM 2122 H1 HOH A 645 -9.193 40.212 24.017 1.00 0.00 H HETATM 2123 H2 HOH A 645 -9.254 39.843 25.446 1.00 0.00 H HETATM 2124 O HOH A 646 -8.763 41.107 26.954 1.00 45.78 O HETATM 2125 H1 HOH A 646 -7.877 40.909 27.287 1.00 0.00 H HETATM 2126 H2 HOH A 646 -9.152 41.449 27.761 1.00 0.00 H HETATM 2127 O HOH A 647 -2.604 41.810 9.063 1.00 89.69 O HETATM 2128 H1 HOH A 647 -2.643 42.054 9.987 1.00 0.00 H HETATM 2129 H2 HOH A 647 -2.693 42.656 8.614 1.00 0.00 H HETATM 2130 O HOH A 649 -9.413 51.705 5.626 1.00 41.00 O HETATM 2131 H1 HOH A 649 -9.719 50.829 5.863 1.00 0.00 H HETATM 2132 H2 HOH A 649 -8.454 51.590 5.571 1.00 0.00 H HETATM 2133 O HOH A 650 -9.518 54.860 9.660 1.00 52.14 O HETATM 2134 H1 HOH A 650 -8.710 54.538 10.077 1.00 0.00 H HETATM 2135 H2 HOH A 650 -9.328 54.591 8.741 1.00 0.00 H HETATM 2136 O HOH A 653 -3.512 62.628 40.300 1.00 63.06 O HETATM 2137 H1 HOH A 653 -3.525 63.442 39.790 1.00 0.00 H HETATM 2138 H2 HOH A 653 -3.230 62.949 41.179 1.00 0.00 H HETATM 2139 O HOH A 655 -21.727 59.794 37.084 1.00 55.07 O HETATM 2140 H1 HOH A 655 -21.275 58.937 37.185 1.00 0.00 H HETATM 2141 H2 HOH A 655 -21.695 60.137 37.984 1.00 0.00 H HETATM 2142 O HOH A 657 -24.266 67.151 21.228 1.00 64.03 O HETATM 2143 H1 HOH A 657 -23.691 66.396 21.380 1.00 0.00 H HETATM 2144 H2 HOH A 657 -23.690 67.901 21.388 1.00 0.00 H HETATM 2145 O HOH A 658 -14.586 61.113 12.104 1.00 29.27 O HETATM 2146 H1 HOH A 658 -14.850 61.765 12.750 1.00 0.00 H HETATM 2147 H2 HOH A 658 -13.723 61.421 11.811 1.00 0.00 H HETATM 2148 O HOH A 660 12.581 51.830 29.637 1.00 52.94 O HETATM 2149 H1 HOH A 660 11.827 52.172 29.138 1.00 0.00 H HETATM 2150 H2 HOH A 660 12.222 51.819 30.532 1.00 0.00 H HETATM 2151 O HOH A 662 -7.207 41.183 29.120 1.00 57.48 O HETATM 2152 H1 HOH A 662 -6.592 41.816 28.731 1.00 0.00 H HETATM 2153 H2 HOH A 662 -6.581 40.723 29.713 1.00 0.00 H HETATM 2154 O HOH A 663 -13.386 38.468 21.284 1.00 67.34 O HETATM 2155 H1 HOH A 663 -13.047 38.935 22.056 1.00 0.00 H HETATM 2156 H2 HOH A 663 -13.513 37.569 21.593 1.00 0.00 H HETATM 2157 O HOH A 664 11.256 58.590 20.205 1.00 67.44 O HETATM 2158 H1 HOH A 664 10.922 59.408 20.631 1.00 0.00 H HETATM 2159 H2 HOH A 664 11.728 58.154 20.930 1.00 0.00 H HETATM 2160 O HOH A 665 0.277 63.762 5.680 1.00 70.23 O HETATM 2161 H1 HOH A 665 1.135 64.192 5.850 1.00 0.00 H HETATM 2162 H2 HOH A 665 0.340 62.940 6.189 1.00 0.00 H HETATM 2163 O HOH A 666 6.264 68.626 26.067 1.00 58.23 O HETATM 2164 H1 HOH A 666 6.430 69.167 25.285 1.00 0.00 H HETATM 2165 H2 HOH A 666 7.160 68.447 26.383 1.00 0.00 H HETATM 2166 O HOH A 669 -14.470 69.636 12.649 1.00 70.28 O HETATM 2167 H1 HOH A 669 -14.228 70.501 13.010 1.00 0.00 H HETATM 2168 H2 HOH A 669 -15.351 69.798 12.295 1.00 0.00 H HETATM 2169 O HOH A 674 13.929 45.060 22.060 1.00 70.57 O HETATM 2170 H1 HOH A 674 13.290 44.361 21.871 1.00 0.00 H HETATM 2171 H2 HOH A 674 14.602 44.602 22.564 1.00 0.00 H HETATM 2172 O HOH A 675 5.630 45.532 5.831 1.00 56.01 O HETATM 2173 H1 HOH A 675 4.838 45.140 6.187 1.00 0.00 H HETATM 2174 H2 HOH A 675 5.607 46.464 6.076 1.00 0.00 H HETATM 2175 O HOH A 676 -15.620 52.215 19.977 1.00 31.65 O HETATM 2176 H1 HOH A 676 -15.370 53.033 20.428 1.00 0.00 H HETATM 2177 H2 HOH A 676 -15.434 52.433 19.068 1.00 0.00 H HETATM 2178 O HOH A 677 -10.760 54.236 44.273 1.00 63.15 O HETATM 2179 H1 HOH A 677 -10.612 54.364 43.334 1.00 0.00 H HETATM 2180 H2 HOH A 677 -10.316 53.381 44.407 1.00 0.00 H HETATM 2181 O HOH A 678 -12.492 64.472 39.294 1.00 39.40 O HETATM 2182 H1 HOH A 678 -12.598 65.086 38.565 1.00 0.00 H HETATM 2183 H2 HOH A 678 -11.586 64.609 39.591 1.00 0.00 H HETATM 2184 O HOH A 679 -15.879 66.735 31.808 1.00 41.96 O HETATM 2185 H1 HOH A 679 -15.075 67.035 31.376 1.00 0.00 H HETATM 2186 H2 HOH A 679 -16.560 67.135 31.259 1.00 0.00 H HETATM 2187 O HOH A 680 7.552 58.268 35.428 1.00 33.06 O HETATM 2188 H1 HOH A 680 7.001 57.539 35.056 1.00 0.00 H HETATM 2189 H2 HOH A 680 7.096 59.010 35.050 1.00 0.00 H HETATM 2190 O HOH A 681 6.853 55.189 32.203 1.00 39.88 O HETATM 2191 H1 HOH A 681 7.029 54.936 31.294 1.00 0.00 H HETATM 2192 H2 HOH A 681 7.573 55.823 32.330 1.00 0.00 H HETATM 2193 O HOH A 682 9.903 55.943 31.282 1.00 48.69 O HETATM 2194 H1 HOH A 682 10.464 55.203 30.998 1.00 0.00 H HETATM 2195 H2 HOH A 682 9.370 56.061 30.488 1.00 0.00 H HETATM 2196 O HOH A 684 8.662 65.428 26.597 1.00 48.13 O HETATM 2197 H1 HOH A 684 9.139 64.625 26.828 1.00 0.00 H HETATM 2198 H2 HOH A 684 7.795 65.300 27.010 1.00 0.00 H HETATM 2199 O HOH A 685 -1.147 70.097 32.339 1.00 35.20 O HETATM 2200 H1 HOH A 685 -1.647 69.572 32.970 1.00 0.00 H HETATM 2201 H2 HOH A 685 -1.475 70.989 32.522 1.00 0.00 H HETATM 2202 O HOH A 686 -3.382 72.991 32.379 1.00 53.35 O HETATM 2203 H1 HOH A 686 -3.985 73.446 32.966 1.00 0.00 H HETATM 2204 H2 HOH A 686 -3.791 73.202 31.509 1.00 0.00 H HETATM 2205 O HOH A 687 -4.684 73.758 30.228 1.00 49.95 O HETATM 2206 H1 HOH A 687 -4.784 74.663 29.923 1.00 0.00 H HETATM 2207 H2 HOH A 687 -5.209 73.313 29.549 1.00 0.00 H HETATM 2208 O HOH A 689 -14.033 74.667 30.495 1.00 87.01 O HETATM 2209 H1 HOH A 689 -13.936 73.841 30.009 1.00 0.00 H HETATM 2210 H2 HOH A 689 -14.833 74.538 31.005 1.00 0.00 H HETATM 2211 O HOH A 690 10.728 59.822 17.817 1.00 73.90 O HETATM 2212 H1 HOH A 690 10.833 59.406 18.702 1.00 0.00 H HETATM 2213 H2 HOH A 690 11.515 59.482 17.389 1.00 0.00 H HETATM 2214 O HOH A 691 -9.293 65.058 39.400 1.00 79.62 O HETATM 2215 H1 HOH A 691 -9.265 65.307 38.470 1.00 0.00 H HETATM 2216 H2 HOH A 691 -8.418 64.671 39.538 1.00 0.00 H HETATM 2217 O HOH A 693 7.463 42.469 31.864 1.00 37.89 O HETATM 2218 H1 HOH A 693 6.517 42.438 32.092 1.00 0.00 H HETATM 2219 H2 HOH A 693 7.549 43.322 31.407 1.00 0.00 H HETATM 2220 O HOH A 694 4.833 41.893 32.650 1.00 50.22 O HETATM 2221 H1 HOH A 694 4.010 41.440 32.427 1.00 0.00 H HETATM 2222 H2 HOH A 694 5.068 41.500 33.498 1.00 0.00 H HETATM 2223 O HOH A 695 1.377 44.839 33.917 1.00 32.98 O HETATM 2224 H1 HOH A 695 1.359 44.168 33.213 1.00 0.00 H HETATM 2225 H2 HOH A 695 0.433 45.008 34.093 1.00 0.00 H HETATM 2226 O HOH A 696 12.858 48.977 15.604 1.00 60.81 O HETATM 2227 H1 HOH A 696 13.411 49.377 14.921 1.00 0.00 H HETATM 2228 H2 HOH A 696 13.264 48.119 15.712 1.00 0.00 H HETATM 2229 O HOH A 697 12.714 42.317 19.921 1.00 73.43 O HETATM 2230 H1 HOH A 697 12.551 42.807 19.116 1.00 0.00 H HETATM 2231 H2 HOH A 697 12.072 41.601 19.889 1.00 0.00 H HETATM 2232 O HOH A 698 0.659 42.943 14.225 1.00 83.05 O HETATM 2233 H1 HOH A 698 1.343 43.581 14.443 1.00 0.00 H HETATM 2234 H2 HOH A 698 1.227 42.183 14.026 1.00 0.00 H HETATM 2235 O HOH A 700 -1.250 45.468 34.204 1.00 51.32 O HETATM 2236 H1 HOH A 700 -1.521 46.381 34.406 1.00 0.00 H HETATM 2237 H2 HOH A 700 -1.698 45.255 33.384 1.00 0.00 H HETATM 2238 O HOH A 703 -17.544 48.725 35.740 1.00 63.11 O HETATM 2239 H1 HOH A 703 -17.599 48.927 36.674 1.00 0.00 H HETATM 2240 H2 HOH A 703 -17.133 49.515 35.367 1.00 0.00 H HETATM 2241 O HOH A 707 -15.840 41.241 24.114 1.00 56.53 O HETATM 2242 H1 HOH A 707 -16.784 41.372 23.999 1.00 0.00 H HETATM 2243 H2 HOH A 707 -15.598 40.674 23.374 1.00 0.00 H HETATM 2244 O HOH A 708 -16.733 48.342 16.765 1.00 61.29 O HETATM 2245 H1 HOH A 708 -16.836 48.968 17.494 1.00 0.00 H HETATM 2246 H2 HOH A 708 -15.933 47.868 17.022 1.00 0.00 H HETATM 2247 O HOH A 709 -10.719 42.558 13.229 1.00 52.96 O HETATM 2248 H1 HOH A 709 -11.125 42.217 14.038 1.00 0.00 H HETATM 2249 H2 HOH A 709 -11.281 42.189 12.539 1.00 0.00 H HETATM 2250 O HOH A 710 -12.362 44.734 12.257 1.00 40.77 O HETATM 2251 H1 HOH A 710 -11.423 44.563 12.147 1.00 0.00 H HETATM 2252 H2 HOH A 710 -12.587 44.256 13.068 1.00 0.00 H HETATM 2253 O HOH A 712 6.370 65.822 5.332 1.00 52.01 O HETATM 2254 H1 HOH A 712 6.532 64.939 5.685 1.00 0.00 H HETATM 2255 H2 HOH A 712 5.775 66.231 5.962 1.00 0.00 H HETATM 2256 O HOH A 714 7.742 65.741 3.014 1.00 65.53 O HETATM 2257 H1 HOH A 714 7.121 66.269 2.521 1.00 0.00 H HETATM 2258 H2 HOH A 714 7.313 65.754 3.901 1.00 0.00 H HETATM 2259 O HOH A 716 2.709 68.330 12.911 1.00 34.32 O HETATM 2260 H1 HOH A 716 2.266 67.593 12.492 1.00 0.00 H HETATM 2261 H2 HOH A 716 3.647 68.129 12.770 1.00 0.00 H HETATM 2262 O HOH A 800 1.303 58.447 42.000 1.00 21.28 O HETATM 2263 H1 HOH A 800 0.699 58.093 41.337 1.00 0.00 H HETATM 2264 H2 HOH A 800 0.746 58.303 42.777 1.00 0.00 H HETATM 2265 O HOH A 802 -10.172 57.692 9.953 1.00 24.31 O HETATM 2266 H1 HOH A 802 -9.959 56.765 10.178 1.00 0.00 H HETATM 2267 H2 HOH A 802 -10.763 57.946 10.680 1.00 0.00 H HETATM 2268 O HOH A 804 -6.531 72.718 15.611 1.00 17.73 O HETATM 2269 H1 HOH A 804 -6.012 73.534 15.668 1.00 0.00 H HETATM 2270 H2 HOH A 804 -6.712 72.550 16.544 1.00 0.00 H HETATM 2271 O HOH A 805 -1.061 63.586 9.151 1.00 44.40 O HETATM 2272 H1 HOH A 805 -2.002 63.384 9.326 1.00 0.00 H HETATM 2273 H2 HOH A 805 -1.110 63.791 8.200 1.00 0.00 H HETATM 2274 O HOH A 806 -18.348 59.800 14.998 1.00 32.59 O HETATM 2275 H1 HOH A 806 -17.741 60.023 14.275 1.00 0.00 H HETATM 2276 H2 HOH A 806 -19.169 60.114 14.592 1.00 0.00 H HETATM 2277 O HOH A 808 8.212 39.882 14.331 1.00 25.89 O HETATM 2278 H1 HOH A 808 7.594 39.733 13.586 1.00 0.00 H HETATM 2279 H2 HOH A 808 8.427 40.821 14.210 1.00 0.00 H HETATM 2280 O HOH A 809 9.636 38.564 16.286 1.00 29.18 O HETATM 2281 H1 HOH A 809 8.928 38.933 15.712 1.00 0.00 H HETATM 2282 H2 HOH A 809 10.389 38.820 15.750 1.00 0.00 H HETATM 2283 O HOH A 810 2.711 68.041 -0.779 1.00 69.64 O HETATM 2284 H1 HOH A 810 2.747 67.360 -0.091 1.00 0.00 H HETATM 2285 H2 HOH A 810 1.805 68.358 -0.690 1.00 0.00 H HETATM 2286 O HOH A 811 8.992 57.744 1.350 1.00 46.07 O HETATM 2287 H1 HOH A 811 9.817 58.116 1.681 1.00 0.00 H HETATM 2288 H2 HOH A 811 9.106 57.907 0.394 1.00 0.00 H HETATM 2289 O HOH A 813 -6.744 46.820 0.644 1.00 43.63 O HETATM 2290 H1 HOH A 813 -6.788 47.771 0.598 1.00 0.00 H HETATM 2291 H2 HOH A 813 -5.894 46.614 0.219 1.00 0.00 H HETATM 2292 O HOH A 814 -16.641 54.559 10.185 1.00 58.52 O HETATM 2293 H1 HOH A 814 -16.339 53.626 10.196 1.00 0.00 H HETATM 2294 H2 HOH A 814 -16.426 54.791 9.268 1.00 0.00 H HETATM 2295 O HOH A 815 -7.852 71.213 12.719 1.00 44.82 O HETATM 2296 H1 HOH A 815 -7.649 70.658 13.486 1.00 0.00 H HETATM 2297 H2 HOH A 815 -8.061 70.525 12.077 1.00 0.00 H HETATM 2298 O HOH A 816 -16.744 52.683 43.938 1.00 56.79 O HETATM 2299 H1 HOH A 816 -16.191 53.425 43.679 1.00 0.00 H HETATM 2300 H2 HOH A 816 -16.369 51.972 43.413 1.00 0.00 H HETATM 2301 O HOH A 900 4.365 41.603 11.915 1.00 31.01 O HETATM 2302 H1 HOH A 900 3.774 41.649 12.679 1.00 0.00 H HETATM 2303 H2 HOH A 900 5.179 41.275 12.326 1.00 0.00 H HETATM 2304 O HOH A 904 -9.392 74.086 33.038 1.00 60.59 O HETATM 2305 H1 HOH A 904 -9.477 74.989 32.690 1.00 0.00 H HETATM 2306 H2 HOH A 904 -9.609 73.576 32.255 1.00 0.00 H HETATM 2307 O HOH A 905 2.790 51.774 36.621 1.00 53.65 O HETATM 2308 H1 HOH A 905 2.232 51.025 36.323 1.00 0.00 H HETATM 2309 H2 HOH A 905 2.660 51.741 37.574 1.00 0.00 H HETATM 2310 O HOH A 906 -1.924 45.610 15.100 1.00 32.22 O HETATM 2311 H1 HOH A 906 -1.846 44.708 15.488 1.00 0.00 H HETATM 2312 H2 HOH A 906 -1.089 45.639 14.596 1.00 0.00 H HETATM 2313 O HOH A 907 5.619 56.835 34.537 1.00 38.08 O HETATM 2314 H1 HOH A 907 5.685 55.997 34.052 1.00 0.00 H HETATM 2315 H2 HOH A 907 4.909 56.634 35.184 1.00 0.00 H HETATM 2316 O HOH A 910 -12.931 46.450 33.605 1.00 56.70 O HETATM 2317 H1 HOH A 910 -12.924 45.811 34.330 1.00 0.00 H HETATM 2318 H2 HOH A 910 -12.501 47.211 34.000 1.00 0.00 H HETATM 2319 O HOH A 911 -17.605 56.814 39.291 1.00 61.26 O HETATM 2320 H1 HOH A 911 -16.999 56.052 39.251 1.00 0.00 H HETATM 2321 H2 HOH A 911 -17.691 56.770 40.261 1.00 0.00 H HETATM 2322 O HOH A 912 -21.539 60.612 32.872 1.00 62.03 O HETATM 2323 H1 HOH A 912 -21.797 59.683 32.934 1.00 0.00 H HETATM 2324 H2 HOH A 912 -21.230 60.662 31.958 1.00 0.00 H HETATM 2325 O HOH A 914 -16.649 46.655 19.783 1.00 31.29 O HETATM 2326 H1 HOH A 914 -17.516 46.874 20.118 1.00 0.00 H HETATM 2327 H2 HOH A 914 -16.310 47.523 19.523 1.00 0.00 H HETATM 2328 O HOH A 917 -11.442 60.621 11.765 1.00 29.59 O HETATM 2329 H1 HOH A 917 -12.007 59.860 11.945 1.00 0.00 H HETATM 2330 H2 HOH A 917 -10.807 60.540 12.485 1.00 0.00 H HETATM 2331 O HOH A 919 2.110 66.306 1.602 1.00 66.33 O HETATM 2332 H1 HOH A 919 1.922 66.642 2.489 1.00 0.00 H HETATM 2333 H2 HOH A 919 1.261 66.468 1.156 1.00 0.00 H HETATM 2334 O HOH A 922 -15.814 49.680 19.033 1.00 34.56 O HETATM 2335 H1 HOH A 922 -14.875 49.478 18.916 1.00 0.00 H HETATM 2336 H2 HOH A 922 -15.793 50.481 19.599 1.00 0.00 H HETATM 2337 O HOH A 924 7.413 57.270 3.660 1.00 59.52 O HETATM 2338 H1 HOH A 924 6.729 56.648 3.404 1.00 0.00 H HETATM 2339 H2 HOH A 924 8.025 57.240 2.899 1.00 0.00 H HETATM 2340 O HOH A 925 14.475 59.409 3.727 1.00 58.38 O HETATM 2341 H1 HOH A 925 15.162 59.318 4.389 1.00 0.00 H HETATM 2342 H2 HOH A 925 13.832 60.002 4.146 1.00 0.00 H HETATM 2343 O HOH A 926 13.090 66.115 6.682 1.00 73.42 O HETATM 2344 H1 HOH A 926 12.683 66.149 5.810 1.00 0.00 H HETATM 2345 H2 HOH A 926 12.338 66.220 7.276 1.00 0.00 H HETATM 2346 O HOH A 927 15.778 65.450 7.194 1.00 74.45 O HETATM 2347 H1 HOH A 927 14.821 65.644 7.222 1.00 0.00 H HETATM 2348 H2 HOH A 927 16.082 66.087 6.549 1.00 0.00 H HETATM 2349 O HOH A 930 -5.051 66.891 10.693 1.00 66.14 O HETATM 2350 H1 HOH A 930 -5.058 67.276 9.813 1.00 0.00 H HETATM 2351 H2 HOH A 930 -4.555 66.067 10.582 1.00 0.00 H HETATM 2352 O HOH A 940 2.748 47.785 37.494 1.00 70.82 O HETATM 2353 H1 HOH A 940 2.662 46.893 37.140 1.00 0.00 H HETATM 2354 H2 HOH A 940 3.039 47.643 38.396 1.00 0.00 H HETATM 2355 O HOH A 941 -16.049 43.683 17.766 1.00 66.60 O HETATM 2356 H1 HOH A 941 -16.067 44.426 18.382 1.00 0.00 H HETATM 2357 H2 HOH A 941 -16.047 44.120 16.912 1.00 0.00 H HETATM 2358 O HOH A 942 17.505 67.879 10.303 1.00 71.65 O HETATM 2359 H1 HOH A 942 17.019 67.475 11.029 1.00 0.00 H HETATM 2360 H2 HOH A 942 17.191 67.382 9.543 1.00 0.00 H HETATM 2361 O HOH A 943 14.501 66.716 12.246 1.00 75.20 O HETATM 2362 H1 HOH A 943 15.057 66.770 13.035 1.00 0.00 H HETATM 2363 H2 HOH A 943 13.880 66.008 12.470 1.00 0.00 H HETATM 2364 O HOH A 944 15.958 68.218 15.571 1.00 81.57 O HETATM 2365 H1 HOH A 944 15.052 68.217 15.880 1.00 0.00 H HETATM 2366 H2 HOH A 944 16.426 68.070 16.402 1.00 0.00 H HETATM 2367 O HOH A 945 10.622 60.788 34.906 1.00 76.80 O HETATM 2368 H1 HOH A 945 10.035 60.310 35.506 1.00 0.00 H HETATM 2369 H2 HOH A 945 11.410 60.904 35.457 1.00 0.00 H HETATM 2370 O HOH A 946 -19.892 56.818 17.056 1.00 45.21 O HETATM 2371 H1 HOH A 946 -19.910 57.739 17.371 1.00 0.00 H HETATM 2372 H2 HOH A 946 -20.477 56.382 17.688 1.00 0.00 H HETATM 2373 O HOH A 947 10.057 52.622 31.464 1.00 45.89 O HETATM 2374 H1 HOH A 947 9.109 52.480 31.291 1.00 0.00 H HETATM 2375 H2 HOH A 947 9.990 52.792 32.408 1.00 0.00 H HETATM 2376 O HOH A 948 13.853 54.780 28.055 1.00 57.87 O HETATM 2377 H1 HOH A 948 14.310 54.173 28.647 1.00 0.00 H HETATM 2378 H2 HOH A 948 14.231 55.613 28.396 1.00 0.00 H HETATM 2379 O HOH A 949 -16.591 69.966 30.532 1.00 51.98 O HETATM 2380 H1 HOH A 949 -16.289 70.301 31.381 1.00 0.00 H HETATM 2381 H2 HOH A 949 -16.254 70.597 29.881 1.00 0.00 H HETATM 2382 O HOH A 950 9.047 41.737 28.601 1.00 55.26 O HETATM 2383 H1 HOH A 950 8.336 41.154 28.325 1.00 0.00 H HETATM 2384 H2 HOH A 950 9.089 41.575 29.553 1.00 0.00 H HETATM 2385 O HOH A 951 -3.732 36.103 28.995 1.00 79.53 O HETATM 2386 H1 HOH A 951 -3.617 36.879 28.438 1.00 0.00 H HETATM 2387 H2 HOH A 951 -3.316 35.398 28.496 1.00 0.00 H HETATM 2388 O HOH A 952 -2.645 40.309 28.406 1.00 51.74 O HETATM 2389 H1 HOH A 952 -1.890 40.833 28.102 1.00 0.00 H HETATM 2390 H2 HOH A 952 -2.237 39.445 28.494 1.00 0.00 H HETATM 2391 O HOH A 953 -4.648 41.108 30.402 1.00 64.75 O HETATM 2392 H1 HOH A 953 -3.908 40.756 29.880 1.00 0.00 H HETATM 2393 H2 HOH A 953 -4.238 41.684 31.055 1.00 0.00 H HETATM 2394 O HOH A 954 -20.228 57.287 38.152 1.00 66.89 O HETATM 2395 H1 HOH A 954 -20.491 57.741 38.953 1.00 0.00 H HETATM 2396 H2 HOH A 954 -19.396 56.869 38.451 1.00 0.00 H HETATM 2397 O HOH A 955 -18.358 61.665 38.157 1.00 58.53 O HETATM 2398 H1 HOH A 955 -18.382 61.366 37.244 1.00 0.00 H HETATM 2399 H2 HOH A 955 -17.435 61.921 38.269 1.00 0.00 H HETATM 2400 O HOH A 956 -7.090 52.415 39.118 1.00 29.64 O HETATM 2401 H1 HOH A 956 -6.586 52.296 39.939 1.00 0.00 H HETATM 2402 H2 HOH A 956 -6.974 53.341 38.920 1.00 0.00 H HETATM 2403 O HOH A 957 14.065 49.257 29.520 1.00 68.28 O HETATM 2404 H1 HOH A 957 13.674 50.138 29.602 1.00 0.00 H HETATM 2405 H2 HOH A 957 14.404 49.318 28.604 1.00 0.00 H HETATM 2406 O HOH A 959 7.879 42.562 6.010 1.00 61.60 O HETATM 2407 H1 HOH A 959 8.346 43.388 6.156 1.00 0.00 H HETATM 2408 H2 HOH A 959 8.201 42.026 6.742 1.00 0.00 H CONECT 142 837 CONECT 837 142 CONECT 1406 1466 CONECT 1466 1406 MASTER 289 0 0 12 5 0 1 6 2407 1 4 17 END