SUMMARY OF PM6 CALCULATION, Site No: 13048 MOPAC2012 (Version: 12.132M) Sat May 12 00:40:02 2012 No. of days left = 101 Empirical Formula: C613 H1243 N193 O327 S10 Cl Na = 2388 atoms CHARGE=8 SETUP LET NOOPT OPT-H LET XYZ NOOPT OPT-H PM6 LET XYZ PDBOUT PL MOZYME NOOPT OPT-H Hen egg white lysozyme (193L) HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -15599.28470 KCAL/MOL = -65267.40720 KJ/MOL TOTAL ENERGY = -224075.56422 EV ELECTRONIC ENERGY = -21536939.75704 EV CORE-CORE REPULSION = 21312864.19282 EV GRADIENT NORM = 0.94813 WARNING -- GEOMETRY IS NOT AT A STATIONARY POINT For more information, see: HTTP://OpenMOPAC.net/Manual/Warning_geometry.html DIPOLE = 203.51989 DEBYE NO. OF FILLED LEVELS = 3341 CHARGE ON SYSTEM = 8 MOLECULAR WEIGHT = 16929.702 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 1660 H 2338 51.85836 H 2214 O 1140 37.08620 H 2340 H 2249 33.65168 SCF CALCULATIONS = 118 COMPUTATION TIME = 11 HOURS 12 MINUTES AND 30.096 SECONDS FINAL GEOMETRY OBTAINED CHARGE *HEADER HYDROLASE (O-GLYCOSYL) 01-SEP-95 193L *TITLE THE 1.33 A STRUCTURE OF TETRAGONAL HEN EGG WHITE LYSOZYME *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: LYSOZYME; *COMPND 3 CHAIN: A *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; *SOURCE 3 ORGANISM_COMMON: CHICKEN; *SOURCE 4 CELLULAR_LOCATION: EGG WHITE *KEYWDS HYDROLASE (O-GLYCOSYL) *EXPDTA X-RAY DIFFRACTION *AUTHOR M.C.VANEY,S.MAIGNAN,M.RIES-KAUTT,A.DUCRUIX *REVDAT 1 07-DEC-95 193L 0 *JRNL AUTH M.C.VANEY,S.MAIGNAN,M.RIES-KAUTT,A.DUCRIUX *JRNL TITL HIGH-RESOLUTION STRUCTURE (1.33 A) OF A HEW *JRNL TITL 2 LYSOZYME TETRAGONAL CRYSTAL GROWN IN THE APCF *JRNL TITL 3 APPARATUS. DATA AND STRUCTURAL COMPARISON WITH A *JRNL TITL 4 CRYSTAL GROWN UNDER MICROGRAVITY FROM SPACEHAB-01 *JRNL TITL 5 MISSION. *JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 52 505 1996 *JRNL REFN ASTM ABCRE6 DK ISSN 0907-4449 *REMARK 1 *REMARK 1 REFERENCE 1 *REMARK 1 AUTH M.M.RIES-KAUTT,I.BROUTIN,A.F.DUCRUIX,W.SHEPHARD, *REMARK 1 AUTH 2 R.KAHN,B.LORBER,A.THEOBALD,R.GIEGE,N.CHAYEN,D.BLOW, *REMARK 1 AUTH 3 K.PAAL,W.LITTKE *REMARK 1 TITL EFFECT OF MICROGRAVITY ON RATE OF NUCLEATION, SIZE *REMARK 1 TITL 2 AND QUALITY OF LYSOZYME CRYSTALS GROWN IN THE *REMARK 1 TITL 3 ADVANCED PROTEIN CRYSTALLIZATION FACILITY ON *REMARK 1 TITL 4 SPACEHAB-01 *REMARK 1 REF TO BE PUBLISHED *REMARK 1 REFN *REMARK 1 REFERENCE 2 *REMARK 1 AUTH A.C.M.YOUNG,R.F.TILTON,J.C.DEWAN *REMARK 1 TITL THERMAL EXPANSION OF HEN-EGG-WHITE LYSOZYME. *REMARK 1 TITL 2 COMPARISON OF THE 1.9 ANGSTROMS RESOLUTION *REMARK 1 TITL 3 STRUCTURES OF THE TETRAGONAL FORM OF THE ENZYME AT *REMARK 1 TITL 4 100K AND 298K *REMARK 1 REF J.MOL.BIOL. V. 235 302 1994 *REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 *REMARK 1 REFERENCE 3 *REMARK 1 AUTH R.BOSCH,P.LAUTENSCHLAGER,L.POTTHAST,J.STAPELMANN *REMARK 1 TITL EXPERIMENT AND EQUIPMENT FOR PROTEIN *REMARK 1 TITL 2 CRYSTALLIZATION IN MICROGRAM FACILITIES *REMARK 1 REF J.CRYST.GROWTH V. 122 310 1992 *REMARK 1 REFN ASTM JCRGAE NE ISSN 0022-0248 *REMARK 2 *REMARK 2 RESOLUTION. 1.33 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) : 1.33 *REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 7.00 *REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 *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 : 23910 *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) : 0.184 *REMARK 3 FREE R VALUE : 0.226 *REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.000 *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 : 1012 *REMARK 3 NUCLEIC ACID ATOMS : 0 *REMARK 3 HETEROGEN ATOMS : 2 *REMARK 3 SOLVENT ATOMS : 142 *REMARK 3 *REMARK 3 B VALUES. *REMARK 3 FROM WILSON PLOT (A**2) : NULL *REMARK 3 MEAN B VALUE (OVERALL, A**2) : 19.40 *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) : 0.15 *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) : 0.008 *REMARK 3 BOND ANGLES (DEGREES) : 1.48 *REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.26 *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 193L COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 *REMARK 4 *REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. *REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-16) *REMARK 200 *REMARK 200 EXPERIMENTAL DETAILS *REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION *REMARK 200 DATE OF DATA COLLECTION : 01-SEP-1993 *REMARK 200 TEMPERATURE (KELVIN) : NULL *REMARK 200 PH : 4.30 *REMARK 200 NUMBER OF CRYSTALS USED : NULL *REMARK 200 *REMARK 200 SYNCHROTRON (Y/N) : Y *REMARK 200 RADIATION SOURCE : LURE *REMARK 200 BEAMLINE : DW32 *REMARK 200 X-RAY GENERATOR MODEL : NULL *REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M *REMARK 200 WAVELENGTH OR RANGE (A) : NULL *REMARK 200 MONOCHROMATOR : NULL *REMARK 200 OPTICS : NULL *REMARK 200 *REMARK 200 DETECTOR TYPE : NULL *REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH *REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM *REMARK 200 DATA SCALING SOFTWARE : NULL *REMARK 200 *REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 24111 *REMARK 200 RESOLUTION RANGE HIGH (A) : 1.330 *REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 *REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 *REMARK 200 *REMARK 200 OVERALL. *REMARK 200 COMPLETENESS FOR RANGE (%) : 87.1 *REMARK 200 DATA REDUNDANCY : NULL *REMARK 200 R MERGE (I) : 0.03100 *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 (%): 39.46 *REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.03 *REMARK 280 *REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.3 *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY *REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2 *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 3555 1/2-Y,1/2+X,3/4+Z *REMARK 290 4555 1/2+Y,1/2-X,1/4+Z *REMARK 290 5555 1/2-X,1/2+Y,3/4-Z *REMARK 290 6555 1/2+X,1/2-Y,1/4-Z *REMARK 290 7555 Y,X,-Z *REMARK 290 8555 -Y,-X,1/2-Z *REMARK 290 *REMARK 290 WHERE NNN -> OPERATOR NUMBER *REMARK 290 MMM -> TRANSLATION VECTOR *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS *REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM *REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY *REMARK 290 RELATED MOLECULES. *REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 *REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 18.88500 *REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 39.27000 *REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 39.27000 *REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 28.32750 *REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 39.27000 *REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 39.27000 *REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 9.44250 *REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 39.27000 *REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 39.27000 *REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 28.32750 *REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 39.27000 *REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 39.27000 *REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 9.44250 *REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 *REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 *REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 18.88500 *REMARK 290 *REMARK 290 REMARK: NULL *REMARK 300 *REMARK 300 BIOMOLECULE: 1 *REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT *REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR *REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). *REMARK 350 *REMARK 350 GENERATING THE BIOMOLECULE *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 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 375 *REMARK 375 SPECIAL POSITION *REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS *REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL *REMARK 375 POSITIONS. *REMARK 375 *REMARK 375 ATOM RES CSSEQI *REMARK 375 HOH 272 LIES ON A SPECIAL POSITION. *REMARK 375 HOH 273 LIES ON A SPECIAL POSITION. *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: COVALENT BOND ANGLES *REMARK 500 *REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES *REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE *REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN *REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). *REMARK 500 *REMARK 500 STANDARD TABLE: *REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) *REMARK 500 *REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 *REMARK 500 *REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 *REMARK 500 PRO A 79 N - CA - C ANGL. DEV. = -8.9 DEGREES *REMARK 525 *REMARK 525 SOLVENT *REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED *REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE *REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL *REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE *REMARK 525 NUMBER; I=INSERTION CODE): *REMARK 525 *REMARK 525 M RES CSSEQI *REMARK 525 HOH 249 DISTANCE = 6.88 ANGSTROMS *DBREF 193L A 1 129 UNP P00698 LYSC_CHICK 19 147 *SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS *SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY *SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN *SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP *SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN *SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE *SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER *SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY *SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY *SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU *HET CL 130 1 *HET NA 131 1 *HETNAM CL CHLORIDE ION *HETNAM NA SODIUM ION *FORMUL 2 CL CL 1- *FORMUL 3 NA NA 1+ *FORMUL 4 HOH *142(H2 O) *HELIX 1 1 ARG A 5 ARG A 14 1 10 *HELIX 2 2 TYR A 20 GLY A 22 5 3 *HELIX 3 3 LEU A 25 SER A 36 1 12 *HELIX 4 4 CYS A 80 LEU A 84 5 5 *HELIX 5 5 THR A 89 VAL A 99 1 11 *HELIX 6 6 GLY A 104 ALA A 107 5 4 *HELIX 7 7 VAL A 109 ARG A 114 1 6 *HELIX 8 8 VAL A 120 ILE A 124 5 5 *SHEET 1 A 2 THR A 43 ARG A 45 0 *SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 *SSBOND 1 CYS A 6 CYS A 127 *SSBOND 2 CYS A 30 CYS A 115 *SSBOND 3 CYS A 64 CYS A 80 *SSBOND 4 CYS A 76 CYS A 94 *CRYST1 78.540 78.540 37.770 90.00 90.00 90.00 P 43 21 2 8 *ORIGX1 1.000000 0.000000 0.000000 0.00000 *ORIGX2 0.000000 1.000000 0.000000 0.00000 *ORIGX3 0.000000 0.000000 1.000000 0.00000 *SCALE1 0.012732 0.000000 0.000000 0.00000 *SCALE2 0.000000 0.012732 0.000000 0.00000 *SCALE3 0.000000 0.000000 0.026476 0.00000 CHARGE=8 SETUP LET NOOPT OPT-H LET XYZ NOOPT OPT-H PM6 LET XYZ PDBOUT PL MOZYME NOOPT OPT-H Hen egg white lysozyme (193L) N( 1 LYS* 1) 3.33600000 +0 10.07400000 +0 10.33100000 +0 -0.1484 C( 2 LYS* 1) 2.42900000 +0 10.42400000 +0 9.19900000 +0 -0.1893 C( 3 LYS* 1) 2.41500000 +0 11.93200000 +0 8.95400000 +0 0.5569 O( 4 LYS* 1) 2.39000000 +0 12.71900000 +0 9.90400000 +0 -0.6170 C( 5 LYS 1) 1.00000000 +0 9.94400000 +0 9.50600000 +0 -0.2852 C( 6 LYS 1) -0.03800000 +0 10.44400000 +0 8.54300000 +0 -0.2544 C( 7 LYS 1) -1.41800000 +0 9.91100000 +0 8.86700000 +0 -0.2835 C( 8 LYS 1) -2.45700000 +0 10.56200000 +0 7.96700000 +0 -0.2145 N( 9 LYS 1) -3.79400000 +0 9.91700000 +0 8.07400000 +0 -0.1537 N( 10 VAL* 2) 2.46700000 +0 12.32900000 +0 7.68800000 +0 -0.4028 C( 11 VAL* 2) 2.41700000 +0 13.74100000 +0 7.33600000 +0 -0.1260 C( 12 VAL* 2) 0.99800000 +0 13.99000000 +0 6.84000000 +0 0.5468 O( 13 VAL* 2) 0.57400000 +0 13.41200000 +0 5.84400000 +0 -0.5960 C( 14 VAL 2) 3.46200000 +0 14.12600000 +0 6.25600000 +0 0.0199 C( 15 VAL 2) 3.28900000 +0 15.60000000 +0 5.85000000 +0 -0.5057 C( 16 VAL 2) 4.87300000 +0 13.91100000 +0 6.79900000 +0 -0.4973 N( 17 PHE* 3) 0.22800000 +0 14.75500000 +0 7.59800000 +0 -0.4280 C( 18 PHE* 3) -1.15100000 +0 15.03500000 +0 7.22700000 +0 -0.0393 C( 19 PHE* 3) -1.28600000 +0 16.08000000 +0 6.14300000 +0 0.5701 O( 20 PHE* 3) -0.40500000 +0 16.92300000 +0 5.95500000 +0 -0.6645 C( 21 PHE 3) -1.93300000 +0 15.55100000 +0 8.43700000 +0 -0.3462 C( 22 PHE 3) -2.50700000 +0 14.47200000 +0 9.30600000 +0 0.0763 C( 23 PHE 3) -1.71900000 +0 13.84800000 +0 10.27800000 +0 -0.2099 C( 24 PHE 3) -3.84900000 +0 14.10000000 +0 9.17900000 +0 -0.2087 C( 25 PHE 3) -2.26100000 +0 12.87100000 +0 11.11100000 +0 -0.1141 C( 26 PHE 3) -4.40500000 +0 13.12100000 +0 10.00700000 +0 -0.1201 C( 27 PHE 3) -3.60900000 +0 12.50500000 +0 10.97800000 +0 -0.1853 N( 28 GLY* 4) -2.38000000 +0 15.98300000 +0 5.40600000 +0 -0.3929 C( 29 GLY* 4) -2.70900000 +0 17.04400100 +0 4.47100000 +0 -0.2466 C( 30 GLY* 4) -3.44400000 +0 18.08799900 +0 5.26700000 +0 0.5629 O( 31 GLY* 4) -3.97500000 +0 17.77100000 +0 6.34300000 +0 -0.6365 N( 32 ARG* 5) -3.49400000 +0 19.31800100 +0 4.81000000 +0 -0.4283 C( 33 ARG* 5) -4.14600000 +0 20.38200000 +0 5.55800000 +0 -0.0600 C( 34 ARG* 5) -5.59400000 +0 20.05600000 +0 5.92400000 +0 0.5694 O( 35 ARG* 5) -5.96100000 +0 20.06100100 +0 7.10300000 +0 -0.6089 C( 36 ARG 5) -4.07400000 +0 21.68300100 +0 4.76600000 +0 -0.2981 C( 37 ARG 5) -4.68800000 +0 22.86899900 +0 5.46500000 +0 -0.3011 C( 38 ARG 5) -4.49700000 +0 24.13500000 +0 4.65500000 +0 -0.0935 N( 39 ARG 5) -5.09300000 +0 24.07200100 +0 3.31800000 +0 -0.4427 C( 40 ARG 5) -6.38700000 +0 24.27100000 +0 3.04200000 +0 0.5450 N( 41 ARG 5) -7.26400000 +0 24.54600000 +0 4.00600000 +0 -0.5212 N( 42 ARG 5) -6.80500000 +0 24.22300000 +0 1.78200000 +0 -0.5188 N( 43 CYS* 6) -6.41400000 +0 19.75400000 +0 4.91700000 +0 -0.4665 C( 44 CYS* 6) -7.82600000 +0 19.42700000 +0 5.16400000 +0 -0.0423 C( 45 CYS* 6) -8.01900000 +0 18.09300000 +0 5.87700000 +0 0.5585 O( 46 CYS* 6) -8.96200000 +0 17.91799900 +0 6.64400000 +0 -0.6104 C( 47 CYS 6) -8.62600000 +0 19.45900000 +0 3.85600000 +0 -0.3514 S( 48 CYS 6) -8.67200000 +0 21.11100000 +0 3.09900000 +0 -0.0705 N( 49 GLU* 7) -7.09800000 +0 17.15900000 +0 5.65900000 +0 -0.4519 C( 50 GLU* 7) -7.18000000 +0 15.85400000 +0 6.30900000 +0 -0.0636 C( 51 GLU* 7) -7.00700000 +0 16.03900000 +0 7.81200000 +0 0.5646 O( 52 GLU* 7) -7.69900000 +0 15.42200000 +0 8.61200000 +0 -0.6474 C( 53 GLU 7) -6.08600000 +0 14.93000000 +0 5.78500000 +0 -0.2459 C( 54 GLU 7) -6.15400000 +0 13.51800000 +0 6.34300000 +0 -0.4744 C( 55 GLU 7) -4.93200000 +0 12.68800000 +0 5.99700000 +0 0.7660 O( 56 GLU 7) -3.89100000 +0 13.27400000 +0 5.63400000 +0 -0.7496 O( 57 GLU 7) -4.99100000 +0 11.44200000 +0 6.12000000 +0 -0.8089 N( 58 LEU* 8) -6.06900000 +0 16.90000000 +0 8.18700000 +0 -0.4411 C( 59 LEU* 8) -5.83100000 +0 17.18499900 +0 9.59600000 +0 -0.0430 C( 60 LEU* 8) -7.02200000 +0 17.95200000 +0 10.19200000 +0 0.5592 O( 61 LEU* 8) -7.47300000 +0 17.65700000 +0 11.30400000 +0 -0.6392 C( 62 LEU 8) -4.54400000 +0 17.99799900 +0 9.76400000 +0 -0.3478 C( 63 LEU 8) -4.23500000 +0 18.32000000 +0 11.22300000 +0 0.0350 C( 64 LEU 8) -4.02600000 +0 17.02000000 +0 12.02800000 +0 -0.5115 C( 65 LEU 8) -3.00600000 +0 19.19400000 +0 11.28300000 +0 -0.5110 N( 66 ALA* 9) -7.51400000 +0 18.94700100 +0 9.45700000 +0 -0.4526 C( 67 ALA* 9) -8.66600000 +0 19.73700000 +0 9.89500000 +0 -0.0037 C( 68 ALA* 9) -9.83400000 +0 18.80200000 +0 10.22100000 +0 0.5588 O( 69 ALA* 9) -10.43900000 +0 18.89600000 +0 11.28800000 +0 -0.6346 C( 70 ALA 9) -9.07400000 +0 20.74099900 +0 8.79500000 +0 -0.5066 N( 71 ALA* 10) -10.12100000 +0 17.87200000 +0 9.31600000 +0 -0.4528 C( 72 ALA* 10) -11.21000000 +0 16.92400000 +0 9.52300000 +0 -0.0105 C( 73 ALA* 10) -10.96300000 +0 16.04800000 +0 10.75100000 +0 0.5520 O( 74 ALA* 10) -11.85900000 +0 15.82600000 +0 11.56000000 +0 -0.6604 C( 75 ALA 10) -11.39600000 +0 16.05800100 +0 8.28100000 +0 -0.4999 N( 76 ALA* 11) -9.73800000 +0 15.56000000 +0 10.90000000 +0 -0.4211 C( 77 ALA* 11) -9.39700000 +0 14.71600000 +0 12.03700000 +0 -0.0005 C( 78 ALA* 11) -9.54200000 +0 15.48000000 +0 13.35600000 +0 0.5354 O( 79 ALA* 11) -10.04700000 +0 14.93800000 +0 14.34400000 +0 -0.5796 C( 80 ALA 11) -7.97000000 +0 14.17800000 +0 11.88800000 +0 -0.5055 N( 81 MET* 12) -9.09800000 +0 16.73600000 +0 13.37000000 +0 -0.4626 C( 82 MET* 12) -9.17700000 +0 17.54900000 +0 14.57100000 +0 -0.0512 C( 83 MET* 12) -10.61100000 +0 17.84400000 +0 14.93100000 +0 0.5516 O( 84 MET* 12) -10.98300000 +0 17.79000100 +0 16.10700000 +0 -0.6313 C( 85 MET 12) -8.40900000 +0 18.84000000 +0 14.37900000 +0 -0.2865 C( 86 MET 12) -6.91600000 +0 18.63100100 +0 14.42400000 +0 -0.3125 S( 87 MET 12) -6.02200000 +0 20.16600000 +0 14.21000000 +0 -0.0800 C( 88 MET 12) -4.55100000 +0 19.84900100 +0 15.21600000 +0 -0.4989 N( 89 LYS* 13) -11.42100000 +0 18.11000100 +0 13.91100000 +0 -0.4451 C( 90 LYS* 13) -12.83600000 +0 18.41300000 +0 14.09800000 +0 -0.0535 C( 91 LYS* 13) -13.54000000 +0 17.21100000 +0 14.69600000 +0 0.5607 O( 92 LYS* 13) -14.27400000 +0 17.34000000 +0 15.68100000 +0 -0.6481 C( 93 LYS 13) -13.47200000 +0 18.79100000 +0 12.75900000 +0 -0.3062 C( 94 LYS 13) -14.93200000 +0 19.18600100 +0 12.83500000 +0 -0.2596 C( 95 LYS 13) -15.27700000 +0 20.06699900 +0 11.64700000 +0 -0.2925 C( 96 LYS 13) -16.73600000 +0 20.47800100 +0 11.63600000 +0 -0.2486 N( 97 LYS 13) -17.57900000 +0 19.37000100 +0 11.14200000 +0 -0.1161 N( 98 ARG* 14) -13.24000000 +0 16.03300100 +0 14.14900000 +0 -0.4300 C( 99 ARG* 14) -13.83000000 +0 14.78100000 +0 14.61000000 +0 -0.0423 C( 100 ARG* 14) -13.44800000 +0 14.52800000 +0 16.05900000 +0 0.5434 O( 101 ARG* 14) -14.23000000 +0 13.96300000 +0 16.82399900 +0 -0.5896 C( 102 ARG 14) -13.35900000 +0 13.61600000 +0 13.74000000 +0 -0.3005 C( 103 ARG 14) -14.44600000 +0 12.59800000 +0 13.47000000 +0 -0.2780 C( 104 ARG 14) -14.03000000 +0 11.18600000 +0 13.84600000 +0 -0.1287 N( 105 ARG 14) -12.67400000 +0 10.84700000 +0 13.42100000 +0 -0.3824 C( 106 ARG 14) -12.01100000 +0 9.78100000 +0 13.86600000 +0 0.5298 N( 107 ARG 14) -12.59300000 +0 8.95000000 +0 14.72500000 +0 -0.4865 N( 108 ARG 14) -10.75900000 +0 9.56000000 +0 13.48100000 +0 -0.5219 N( 109 HIS* 15) -12.24600000 +0 14.96800000 +0 16.43800000 +0 -0.4422 C( 110 HIS* 15) -11.76700000 +0 14.80400000 +0 17.80299900 +0 -0.0409 C( 111 HIS* 15) -12.19300000 +0 15.90700000 +0 18.77300100 +0 0.5831 O( 112 HIS* 15) -11.69400000 +0 15.97300000 +0 19.90300000 +0 -0.6966 C( 113 HIS 15) -10.25900000 +0 14.59200000 +0 17.82500100 +0 -0.2753 C( 114 HIS 15) -9.85400000 +0 13.19100000 +0 17.49700000 +0 0.0813 N( 115 HIS 15) -9.51700000 +0 12.79200000 +0 16.22200000 +0 -0.3401 C( 116 HIS 15) -9.76400000 +0 12.08000000 +0 18.27199900 +0 -0.2621 C( 117 HIS 15) -9.23600000 +0 11.49500000 +0 16.22400100 +0 -0.0789 N( 118 HIS 15) -9.38000000 +0 11.04400000 +0 17.46100000 +0 -0.1327 N( 119 GLY* 16) -13.10500000 +0 16.76899900 +0 18.31699900 +0 -0.3890 C( 120 GLY* 16) -13.65700000 +0 17.82799900 +0 19.15300000 +0 -0.2624 C( 121 GLY* 16) -12.85900000 +0 19.09100000 +0 19.40900000 +0 0.5699 O( 122 GLY* 16) -13.12900000 +0 19.81399900 +0 20.37700100 +0 -0.6244 N( 123 LEU* 17) -11.88100000 +0 19.36899900 +0 18.55800100 +0 -0.4368 C( 124 LEU* 17) -11.07700000 +0 20.56900000 +0 18.72699900 +0 -0.0581 C( 125 LEU* 17) -11.69300000 +0 21.84800000 +0 18.16799900 +0 0.5430 O( 126 LEU* 17) -11.31600000 +0 22.94100000 +0 18.58900100 +0 -0.6363 C( 127 LEU 17) -9.67900000 +0 20.36599900 +0 18.14100100 +0 -0.3406 C( 128 LEU 17) -8.70700000 +0 19.54500000 +0 18.98200000 +0 0.0473 C( 129 LEU 17) -7.33600000 +0 19.59600100 +0 18.30699900 +0 -0.5193 C( 130 LEU 17) -8.60300000 +0 20.11400000 +0 20.38999900 +0 -0.5217 N( 131 ASP* 18) -12.64000000 +0 21.74600000 +0 17.24000000 +0 -0.4413 C( 132 ASP* 18) -13.23200000 +0 22.96400100 +0 16.68700000 +0 -0.0096 C( 133 ASP* 18) -13.96400000 +0 23.70999900 +0 17.79500000 +0 0.5700 O( 134 ASP* 18) -14.89900000 +0 23.19000100 +0 18.41000000 +0 -0.6382 C( 135 ASP 18) -14.17800000 +0 22.66600000 +0 15.51700000 +0 -0.4946 C( 136 ASP 18) -14.68900000 +0 23.94199900 +0 14.80700000 +0 0.7391 O( 137 ASP 18) -14.08800000 +0 25.04299900 +0 14.94300000 +0 -0.8123 O( 138 ASP 18) -15.71500000 +0 23.83499900 +0 14.09000000 +0 -0.7227 N( 139 ASN* 19) -13.47300000 +0 24.90600000 +0 18.08600000 +0 -0.4301 C( 140 ASN* 19) -14.03200000 +0 25.76300000 +0 19.11599900 +0 -0.0003 C( 141 ASN* 19) -13.78200000 +0 25.26400000 +0 20.54000100 +0 0.5545 O( 142 ASN* 19) -14.39600000 +0 25.75099900 +0 21.49099900 +0 -0.6161 C( 143 ASN 19) -15.52300000 +0 26.00600100 +0 18.86200000 +0 -0.4491 C( 144 ASN 19) -15.79000000 +0 26.53800000 +0 17.46200000 +0 0.6310 O( 145 ASN 19) -15.35400000 +0 27.63999900 +0 17.10700000 +0 -0.6458 N( 146 ASN 19) -16.46699900 +0 25.74200100 +0 16.64300000 +0 -0.5034 N( 147 TYR* 20) -12.85300000 +0 24.32300000 +0 20.70599900 +0 -0.4437 C( 148 TYR* 20) -12.53500000 +0 23.83700000 +0 22.03900000 +0 -0.0313 C( 149 TYR* 20) -11.89100000 +0 25.00499900 +0 22.79600000 +0 0.5546 O( 150 TYR* 20) -10.91800000 +0 25.59400000 +0 22.32700000 +0 -0.6319 C( 151 TYR 20) -11.58000000 +0 22.64699900 +0 21.98900000 +0 -0.3159 C( 152 TYR 20) -11.41600000 +0 22.02000000 +0 23.34600100 +0 -0.0452 C( 153 TYR 20) -12.35200000 +0 21.10500000 +0 23.82600000 +0 -0.0647 C( 154 TYR 20) -10.36200000 +0 22.38800000 +0 24.18199900 +0 -0.0759 C( 155 TYR 20) -12.24700000 +0 20.58099900 +0 25.10500000 +0 -0.2873 C( 156 TYR 20) -10.24700000 +0 21.87700100 +0 25.46100000 +0 -0.3660 C( 157 TYR 20) -11.19000000 +0 20.97400100 +0 25.91700000 +0 0.3001 O( 158 TYR 20) -11.08800000 +0 20.48300000 +0 27.19500000 +0 -0.5361 N( 159 ARG* 21) -12.47100000 +0 25.35100000 +0 23.94700100 +0 -0.4645 C( 160 ARG* 21) -12.02400000 +0 26.48000000 +0 24.78400000 +0 -0.0393 C( 161 ARG* 21) -12.08800000 +0 27.78100000 +0 23.99900100 +0 0.5453 O( 162 ARG* 21) -11.31500000 +0 28.70299900 +0 24.26000000 +0 -0.5807 C( 163 ARG 21) -10.60700000 +0 26.28100000 +0 25.33700000 +0 -0.3003 C( 164 ARG 21) -10.47700000 +0 25.16099900 +0 26.33000000 +0 -0.2906 C( 165 ARG 21) -11.24600000 +0 25.44199900 +0 27.59700000 +0 -0.1124 N( 166 ARG 21) -11.56500000 +0 24.19599900 +0 28.28599900 +0 -0.3821 C( 167 ARG 21) -11.64700000 +0 24.06200000 +0 29.60500000 +0 0.5455 N( 168 ARG 21) -11.36500000 +0 25.09000000 +0 30.40800100 +0 -0.5063 N( 169 ARG 21) -11.95000000 +0 22.87400100 +0 30.12299900 +0 -0.5152 N( 170 GLY* 22) -12.98500000 +0 27.82900000 +0 23.02000000 +0 -0.4206 C( 171 GLY* 22) -13.14400000 +0 29.01499900 +0 22.19899900 +0 -0.2546 C( 172 GLY* 22) -12.18000000 +0 29.17400000 +0 21.02800000 +0 0.6061 O( 173 GLY* 22) -12.18700000 +0 30.21500000 +0 20.35700000 +0 -0.6344 N( 174 TYR* 23) -11.34900000 +0 28.16799900 +0 20.76300000 +0 -0.4396 C( 175 TYR* 23) -10.39900000 +0 28.26300000 +0 19.65099900 +0 -0.0513 C( 176 TYR* 23) -10.93100000 +0 27.54800000 +0 18.43199900 +0 0.5635 O( 177 TYR* 23) -11.05000000 +0 26.33000000 +0 18.42499900 +0 -0.6362 C( 178 TYR 23) -9.03900000 +0 27.69500000 +0 20.04200000 +0 -0.2903 C( 179 TYR 23) -8.34500000 +0 28.54000100 +0 21.07700000 +0 -0.0699 C( 180 TYR 23) -7.54700000 +0 29.61400000 +0 20.69500000 +0 -0.0750 C( 181 TYR 23) -8.48400000 +0 28.26600100 +0 22.44100000 +0 -0.0683 C( 182 TYR 23) -6.89500000 +0 30.39399900 +0 21.64500000 +0 -0.3165 C( 183 TYR 23) -7.83600000 +0 29.04600000 +0 23.39900000 +0 -0.3426 C( 184 TYR 23) -7.03900000 +0 30.11000100 +0 22.98700000 +0 0.3638 O( 185 TYR 23) -6.34800000 +0 30.86700100 +0 23.90399900 +0 -0.6631 N( 186 SER* 24) -11.21800000 +0 28.31600000 +0 17.38699900 +0 -0.4134 C( 187 SER* 24) -11.75300000 +0 27.74200100 +0 16.16300000 +0 -0.1033 C( 188 SER* 24) -10.73600000 +0 26.80500000 +0 15.53800000 +0 0.5844 O( 189 SER* 24) -9.53000000 +0 26.91600000 +0 15.79200000 +0 -0.6629 C( 190 SER 24) -12.14800000 +0 28.83700000 +0 15.18500000 +0 -0.0197 O( 191 SER 24) -11.04600000 +0 29.67000000 +0 14.86100000 +0 -0.6008 N( 192 LEU* 25) -11.23400000 +0 25.90500100 +0 14.70300000 +0 -0.4811 C( 193 LEU* 25) -10.41400000 +0 24.91099900 +0 14.03900000 +0 -0.0396 C( 194 LEU* 25) -9.18600000 +0 25.46600000 +0 13.33700000 +0 0.5631 O( 195 LEU* 25) -8.11600000 +0 24.85300100 +0 13.37900000 +0 -0.6636 C( 196 LEU 25) -11.28000000 +0 24.13800000 +0 13.05100000 +0 -0.3640 C( 197 LEU 25) -10.83200000 +0 22.75499900 +0 12.60200000 +0 0.0518 C( 198 LEU 25) -10.60600000 +0 21.87000100 +0 13.81000000 +0 -0.5200 C( 199 LEU 25) -11.90400000 +0 22.16000000 +0 11.69900000 +0 -0.5230 N( 200 GLY* 26) -9.32600000 +0 26.61500000 +0 12.68600000 +0 -0.4079 C( 201 GLY* 26) -8.19300000 +0 27.20599900 +0 11.98900000 +0 -0.2610 C( 202 GLY* 26) -6.99600000 +0 27.45500000 +0 12.89300000 +0 0.6043 O( 203 GLY* 26) -5.85800000 +0 27.37299900 +0 12.45600000 +0 -0.6570 N( 204 ASN* 27) -7.25300000 +0 27.75300000 +0 14.16100000 +0 -0.4602 C( 205 ASN* 27) -6.17300000 +0 28.00000000 +0 15.11600000 +0 0.0014 C( 206 ASN* 27) -5.35000000 +0 26.73900000 +0 15.33200000 +0 0.5458 O( 207 ASN* 27) -4.12500000 +0 26.77899900 +0 15.35900000 +0 -0.6439 C( 208 ASN 27) -6.73100000 +0 28.45999900 +0 16.46100000 +0 -0.4964 C( 209 ASN 27) -7.13400000 +0 29.90600000 +0 16.44800000 +0 0.6364 O( 210 ASN 27) -6.29000000 +0 30.78500000 +0 16.50200100 +0 -0.6552 N( 211 ASN 27) -8.43100000 +0 30.16400000 +0 16.33900100 +0 -0.5342 N( 212 TRP* 28) -6.03900000 +0 25.61599900 +0 15.47500000 +0 -0.4092 C( 213 TRP* 28) -5.39000000 +0 24.33700000 +0 15.70300000 +0 -0.0536 C( 214 TRP* 28) -4.60400000 +0 23.87000100 +0 14.49700000 +0 0.5563 O( 215 TRP* 28) -3.50500000 +0 23.33400000 +0 14.63700000 +0 -0.6507 C( 216 TRP 28) -6.43200000 +0 23.29800000 +0 16.10300100 +0 -0.2637 C( 217 TRP 28) -7.08800000 +0 23.65399900 +0 17.38200000 +0 -0.1583 C( 218 TRP 28) -8.33000000 +0 24.19000100 +0 17.54999900 +0 -0.0867 C( 219 TRP 28) -6.53300000 +0 23.50200100 +0 18.69500000 +0 -0.0707 N( 220 TRP 28) -8.58800000 +0 24.37700100 +0 18.88800000 +0 -0.1803 C( 221 TRP 28) -7.50300000 +0 23.96400100 +0 19.61400000 +0 0.0695 C( 222 TRP 28) -5.30500000 +0 23.01700000 +0 19.18600100 +0 -0.1286 C( 223 TRP 28) -7.29100000 +0 23.95000100 +0 20.99799900 +0 -0.2038 C( 224 TRP 28) -5.09600000 +0 23.00400000 +0 20.56100100 +0 -0.1964 C( 225 TRP 28) -6.08400000 +0 23.47100100 +0 21.45100000 +0 -0.1210 N( 226 VAL* 29) -5.16000000 +0 24.07600000 +0 13.31100000 +0 -0.4348 C( 227 VAL* 29) -4.48200000 +0 23.66600000 +0 12.08900000 +0 -0.1019 C( 228 VAL* 29) -3.25300000 +0 24.53700100 +0 11.87400000 +0 0.5668 O( 229 VAL* 29) -2.17900000 +0 24.04400100 +0 11.54400000 +0 -0.6651 C( 230 VAL 29) -5.43100000 +0 23.72900000 +0 10.87200000 +0 0.0028 C( 231 VAL 29) -4.65500000 +0 23.40700000 +0 9.57600000 +0 -0.5111 C( 232 VAL 29) -6.59900000 +0 22.74600000 +0 11.07600000 +0 -0.5089 N( 233 CYS* 30) -3.40300000 +0 25.82700000 +0 12.10900000 +0 -0.4366 C( 234 CYS* 30) -2.28900000 +0 26.74399900 +0 11.96600000 +0 -0.0293 C( 235 CYS* 30) -1.17700000 +0 26.37200000 +0 12.96100000 +0 0.5627 O( 236 CYS* 30) 0.00600000 +0 26.36200000 +0 12.61000000 +0 -0.6439 C( 237 CYS 30) -2.76800000 +0 28.17200100 +0 12.22200000 +0 -0.3574 S( 238 CYS 30) -1.48100000 +0 29.42799900 +0 12.00400000 +0 -0.0367 N( 239 ALA* 31) -1.56000000 +0 26.05299900 +0 14.19600000 +0 -0.4477 C( 240 ALA* 31) -0.58200000 +0 25.67900100 +0 15.21100000 +0 0.0079 C( 241 ALA* 31) 0.17500000 +0 24.42400000 +0 14.76900000 +0 0.5559 O( 242 ALA* 31) 1.40700000 +0 24.38500000 +0 14.82900000 +0 -0.6330 C( 243 ALA 31) -1.26200000 +0 25.44400000 +0 16.54999900 +0 -0.5169 N( 244 ALA* 32) -0.55500000 +0 23.42700000 +0 14.27400000 +0 -0.4596 C( 245 ALA* 32) 0.06800000 +0 22.19000100 +0 13.82400000 +0 -0.0018 C( 246 ALA* 32) 1.01100000 +0 22.45299900 +0 12.65400000 +0 0.5558 O( 247 ALA* 32) 2.09800000 +0 21.87400100 +0 12.57900000 +0 -0.6533 C( 248 ALA 32) -0.99400000 +0 21.17000000 +0 13.43200000 +0 -0.5027 N( 249 LYS* 33) 0.59900000 +0 23.31500100 +0 11.73600000 +0 -0.4454 C( 250 LYS* 33) 1.43100000 +0 23.63500000 +0 10.58300000 +0 -0.0433 C( 251 LYS* 33) 2.78600000 +0 24.17300000 +0 11.00800000 +0 0.5626 O( 252 LYS* 33) 3.83500000 +0 23.69199900 +0 10.56800000 +0 -0.6951 C( 253 LYS 33) 0.75000000 +0 24.68499900 +0 9.70300000 +0 -0.3125 C( 254 LYS 33) 1.65200000 +0 25.26000000 +0 8.61600000 +0 -0.2514 C( 255 LYS 33) 2.05100000 +0 24.20599900 +0 7.60300000 +0 -0.2812 C( 256 LYS 33) 2.96000000 +0 24.79600000 +0 6.54300000 +0 -0.2641 N( 257 LYS 33) 3.31500000 +0 23.76700000 +0 5.53900000 +0 -0.0763 N( 258 PHE* 34) 2.76000000 +0 25.17400000 +0 11.87500000 +0 -0.3920 C( 259 PHE* 34) 3.99700000 +0 25.78500000 +0 12.29300000 +0 -0.0787 C( 260 PHE* 34) 4.77200000 +0 25.06600000 +0 13.35600000 +0 0.5473 O( 261 PHE* 34) 5.96800000 +0 25.27599900 +0 13.47400000 +0 -0.6151 C( 262 PHE 34) 3.77800000 +0 27.26300000 +0 12.60300000 +0 -0.3205 C( 263 PHE 34) 3.34400000 +0 28.04600000 +0 11.39400000 +0 0.0558 C( 264 PHE 34) 4.08600000 +0 27.97100100 +0 10.20700000 +0 -0.2352 C( 265 PHE 34) 2.17500000 +0 28.79500000 +0 11.41100000 +0 -0.1839 C( 266 PHE 34) 3.65800000 +0 28.63200000 +0 9.04600000 +0 -0.1332 C( 267 PHE 34) 1.73600000 +0 29.45900000 +0 10.25900000 +0 -0.0966 C( 268 PHE 34) 2.48200000 +0 29.37800000 +0 9.07300000 +0 -0.1870 N( 269 GLU* 35) 4.11700000 +0 24.20100000 +0 14.11000000 +0 -0.4211 C( 270 GLU* 35) 4.82600000 +0 23.45500000 +0 15.13200000 +0 -0.0615 C( 271 GLU* 35) 5.53300000 +0 22.23500100 +0 14.55900000 +0 0.5746 O( 272 GLU* 35) 6.69000000 +0 21.98800100 +0 14.87200000 +0 -0.6326 C( 273 GLU 35) 3.86300000 +0 22.98100100 +0 16.22300000 +0 -0.2448 C( 274 GLU 35) 3.37500000 +0 24.08300000 +0 17.16600000 +0 -0.4508 C( 275 GLU 35) 4.47100000 +0 24.61800000 +0 18.08600000 +0 0.7496 O( 276 GLU 35) 5.55600000 +0 24.00300000 +0 18.14800100 +0 -0.7596 O( 277 GLU 35) 4.25200000 +0 25.64500000 +0 18.75900100 +0 -0.8223 N( 278 SER* 36) 4.85600000 +0 21.50600100 +0 13.67400000 +0 -0.4515 C( 279 SER* 36) 5.40200000 +0 20.25400000 +0 13.14600000 +0 -0.1192 C( 280 SER* 36) 5.35600000 +0 20.05400100 +0 11.64100000 +0 0.5922 O( 281 SER* 36) 5.76400000 +0 18.99700000 +0 11.15100000 +0 -0.6978 C( 282 SER 36) 4.59100000 +0 19.11300100 +0 13.74800000 +0 -0.0439 O( 283 SER 36) 3.27000000 +0 19.13800000 +0 13.21600000 +0 -0.5243 N( 284 ASN* 37) 4.80700000 +0 21.02899900 +0 10.92200000 +0 -0.4299 C( 285 ASN* 37) 4.62600000 +0 20.94100000 +0 9.47700000 +0 -0.0104 C( 286 ASN* 37) 3.71100000 +0 19.74799900 +0 9.17300000 +0 0.5680 O( 287 ASN* 37) 3.88800000 +0 19.04700100 +0 8.18500000 +0 -0.6066 C( 288 ASN 37) 5.96300000 +0 20.83700000 +0 8.72800000 +0 -0.4436 C( 289 ASN 37) 5.86300000 +0 21.34400000 +0 7.30500000 +0 0.6497 O( 290 ASN 37) 4.97400000 +0 22.13500000 +0 6.97300000 +0 -0.7312 N( 291 ASN 37) 6.78000000 +0 20.90800100 +0 6.45500000 +0 -0.5003 N( 292 PHE* 38) 2.75700000 +0 19.52199900 +0 10.07400000 +0 -0.4830 C( 293 PHE* 38) 1.76000000 +0 18.45800000 +0 9.97400000 +0 -0.0293 C( 294 PHE* 38) 2.33800000 +0 17.04600000 +0 10.07200000 +0 0.5633 O( 295 PHE* 38) 1.69000000 +0 16.08300000 +0 9.66100000 +0 -0.6462 C( 296 PHE 38) 0.98100000 +0 18.56500100 +0 8.65600000 +0 -0.3359 C( 297 PHE 38) 0.23100000 +0 19.85199900 +0 8.47100000 +0 0.0953 C( 298 PHE 38) -0.35700000 +0 20.50000000 +0 9.54600000 +0 -0.2274 C( 299 PHE 38) 0.06800000 +0 20.37599900 +0 7.19200000 +0 -0.2196 C( 300 PHE 38) -1.12000000 +0 21.65099900 +0 9.34900000 +0 -0.0928 C( 301 PHE 38) -0.68600000 +0 21.51700000 +0 6.98000000 +0 -0.1354 C( 302 PHE 38) -1.28100000 +0 22.15700000 +0 8.06600000 +0 -0.1918 N( 303 ASN* 39) 3.54000000 +0 16.92200100 +0 10.62100000 +0 -0.4341 C( 304 ASN* 39) 4.20300000 +0 15.62300000 +0 10.74100000 +0 -0.0076 C( 305 ASN* 39) 4.06000000 +0 15.10000000 +0 12.16300000 +0 0.5436 O( 306 ASN* 39) 4.60600000 +0 15.68400000 +0 13.10200000 +0 -0.6104 C( 307 ASN 39) 5.68500000 +0 15.78500000 +0 10.38600000 +0 -0.4560 C( 308 ASN 39) 6.44800000 +0 14.47100000 +0 10.37700000 +0 0.6348 O( 309 ASN 39) 5.90000000 +0 13.38900000 +0 10.62700000 +0 -0.7074 N( 310 ASN 39) 7.73500000 +0 14.56300000 +0 10.07600000 +0 -0.5023 N( 311 THR* 40) 3.36900000 +0 13.97400000 +0 12.31400000 +0 -0.4217 C( 312 THR* 40) 3.15700000 +0 13.38300000 +0 13.62800000 +0 -0.1615 C( 313 THR* 40) 4.44400000 +0 12.91400000 +0 14.28200000 +0 0.5734 O( 314 THR* 40) 4.50100000 +0 12.78800000 +0 15.48800000 +0 -0.6004 C( 315 THR 40) 2.21000000 +0 12.16900000 +0 13.57200000 +0 0.2380 O( 316 THR 40) 2.80100000 +0 11.12400000 +0 12.79000000 +0 -0.6470 C( 317 THR 40) 0.87500000 +0 12.56100000 +0 12.96500000 +0 -0.5460 N( 318 GLN* 41) 5.47400000 +0 12.67100000 +0 13.47600000 +0 -0.4579 C( 319 GLN* 41) 6.74100000 +0 12.15700000 +0 13.99500000 +0 -0.0664 C( 320 GLN* 41) 7.77300000 +0 13.20600000 +0 14.37800000 +0 0.5473 O( 321 GLN* 41) 8.88500000 +0 12.87500000 +0 14.78800000 +0 -0.6291 C( 322 GLN 41) 7.34800000 +0 11.17300000 +0 12.98700000 +0 -0.2507 C( 323 GLN 41) 6.47200000 +0 9.95200000 +0 12.71300000 +0 -0.4171 C( 324 GLN 41) 7.24200000 +0 8.83800000 +0 12.04000000 +0 0.5866 O( 325 GLN 41) 8.02300000 +0 8.13200000 +0 12.68200000 +0 -0.5347 N( 326 GLN 41) 7.06900000 +0 8.70700000 +0 10.73700000 +0 -0.5826 N( 327 ALA* 42) 7.40000000 +0 14.47100000 +0 14.27800000 +0 -0.4144 C( 328 ALA* 42) 8.32600000 +0 15.54600000 +0 14.60000000 +0 -0.0236 C( 329 ALA* 42) 8.74100000 +0 15.56200000 +0 16.07000000 +0 0.5615 O( 330 ALA* 42) 7.91700000 +0 15.36400000 +0 16.96800000 +0 -0.6614 C( 331 ALA 42) 7.71200000 +0 16.89399900 +0 14.21600000 +0 -0.5076 N( 332 THR* 43) 10.03600000 +0 15.73800000 +0 16.29800000 +0 -0.3791 C( 333 THR* 43) 10.57100000 +0 15.85300000 +0 17.63900000 +0 -0.1963 C( 334 THR* 43) 11.58900000 +0 16.97300000 +0 17.60600100 +0 0.5725 O( 335 THR* 43) 12.25900000 +0 17.19700100 +0 16.59600100 +0 -0.5986 C( 336 THR 43) 11.28800000 +0 14.57300000 +0 18.12200000 +0 0.2503 O( 337 THR 43) 12.33200000 +0 14.23100000 +0 17.19800000 +0 -0.6510 C( 338 THR 43) 10.32200000 +0 13.41200000 +0 18.27000000 +0 -0.5614 N( 339 ASN* 44) 11.70000000 +0 17.69199900 +0 18.70900000 +0 -0.4383 C( 340 ASN* 44) 12.67300000 +0 18.76199900 +0 18.80800100 +0 -0.0258 C( 341 ASN* 44) 13.12500000 +0 18.88500000 +0 20.25000000 +0 0.5642 O( 342 ASN* 44) 12.30200000 +0 18.93600100 +0 21.15200000 +0 -0.6149 C( 343 ASN 44) 12.07000000 +0 20.06900000 +0 18.30600000 +0 -0.4664 C( 344 ASN 44) 11.84600000 +0 20.06300000 +0 16.79000100 +0 0.6473 O( 345 ASN 44) 10.72800000 +0 19.88500000 +0 16.30900000 +0 -0.5966 N( 346 ASN 44) 12.92300000 +0 20.21999900 +0 16.03900000 +0 -0.5398 N( 347 ARG* 45) 14.44100000 +0 18.88600000 +0 20.45999900 +0 -0.4310 C( 348 ARG* 45) 15.02000000 +0 18.98900000 +0 21.80200000 +0 -0.0581 C( 349 ARG* 45) 15.11600000 +0 20.44800000 +0 22.21600000 +0 0.5444 O( 350 ARG* 45) 15.45500000 +0 21.30600000 +0 21.40200000 +0 -0.6020 C( 351 ARG 45) 16.43300100 +0 18.39300000 +0 21.82399900 +0 -0.2912 C( 352 ARG 45) 16.97800100 +0 18.10899900 +0 23.21800000 +0 -0.3037 C( 353 ARG 45) 16.50499900 +0 16.75400000 +0 23.65500100 +0 -0.1451 N( 354 ARG 45) 16.74399900 +0 16.47699900 +0 25.06699900 +0 -0.3865 C( 355 ARG 45) 17.72500000 +0 15.70100000 +0 25.53100000 +0 0.5247 N( 356 ARG 45) 18.58300000 +0 15.13500000 +0 24.69300100 +0 -0.5375 N( 357 ARG 45) 17.76700000 +0 15.39100000 +0 26.82099900 +0 -0.5200 N( 358 ASN* 46) 14.83400000 +0 20.71600000 +0 23.48399900 +0 -0.4304 C( 359 ASN* 46) 14.90400000 +0 22.06399900 +0 24.03100000 +0 -0.0140 C( 360 ASN* 46) 16.19800000 +0 22.16700000 +0 24.81800100 +0 0.5556 O( 361 ASN* 46) 16.75499900 +0 21.15200000 +0 25.22500000 +0 -0.6391 C( 362 ASN 46) 13.70000000 +0 22.32399900 +0 24.93400000 +0 -0.4756 C( 363 ASN 46) 12.37000000 +0 22.14800100 +0 24.20299900 +0 0.6374 O( 364 ASN 46) 11.46800000 +0 21.45400000 +0 24.67700000 +0 -0.6143 N( 365 ASN 46) 12.25300000 +0 22.76499900 +0 23.04100000 +0 -0.5463 N( 366 THR* 47) 16.66000000 +0 23.38699900 +0 25.07500100 +0 -0.4226 C( 367 THR* 47) 17.92000000 +0 23.60500000 +0 25.80500000 +0 -0.1174 C( 368 THR* 47) 17.90000000 +0 23.07500100 +0 27.22699900 +0 0.5442 O( 369 THR* 47) 18.93499900 +0 22.65200000 +0 27.74099900 +0 -0.5658 C( 370 THR 47) 18.32200100 +0 25.10000000 +0 25.83900100 +0 0.2144 O( 371 THR 47) 17.27500000 +0 25.87200000 +0 26.43800000 +0 -0.5839 C( 372 THR 47) 18.55999900 +0 25.59900100 +0 24.43499900 +0 -0.5727 N( 373 ASP* 48) 16.73100100 +0 23.09100000 +0 27.85899900 +0 -0.4504 C( 374 ASP* 48) 16.61599900 +0 22.58799900 +0 29.21699900 +0 0.0141 C( 375 ASP* 48) 16.64399900 +0 21.05699900 +0 29.26199900 +0 0.5629 O( 376 ASP* 48) 16.52199900 +0 20.46800000 +0 30.34000000 +0 -0.6613 C( 377 ASP 48) 15.35500000 +0 23.12599900 +0 29.90000000 +0 -0.4910 C( 378 ASP 48) 14.08600000 +0 22.66200100 +0 29.24099900 +0 0.7359 O( 379 ASP 48) 14.14300000 +0 21.99900100 +0 28.19400000 +0 -0.7647 O( 380 ASP 48) 13.00300000 +0 22.96500000 +0 29.76000000 +0 -0.7930 N( 381 GLY* 49) 16.75600100 +0 20.41200100 +0 28.10199900 +0 -0.3975 C( 382 GLY* 49) 16.81200000 +0 18.96500000 +0 28.07300000 +0 -0.2520 C( 383 GLY* 49) 15.49200000 +0 18.27300100 +0 27.78800000 +0 0.5837 O( 384 GLY* 49) 15.46000000 +0 17.05800100 +0 27.56300000 +0 -0.7305 N( 385 SER* 50) 14.39500000 +0 19.02000000 +0 27.82399900 +0 -0.3774 C( 386 SER* 50) 13.09800000 +0 18.43800000 +0 27.53500000 +0 -0.1461 C( 387 SER* 50) 13.00800000 +0 18.29900000 +0 26.01199900 +0 0.5988 O( 388 SER* 50) 13.87000000 +0 18.79800000 +0 25.28599900 +0 -0.6451 C( 389 SER 50) 11.99300000 +0 19.34600100 +0 28.04600000 +0 0.0091 O( 390 SER 50) 12.02500000 +0 20.58499900 +0 27.36400000 +0 -0.5919 N( 391 THR* 51) 11.98500000 +0 17.61100000 +0 25.52800000 +0 -0.4247 C( 392 THR* 51) 11.82200000 +0 17.42000000 +0 24.09000000 +0 -0.1621 C( 393 THR* 51) 10.35300000 +0 17.63800000 +0 23.76400000 +0 0.5915 O( 394 THR* 51) 9.49500000 +0 17.36000100 +0 24.60700000 +0 -0.6817 C( 395 THR 51) 12.23300000 +0 15.98400000 +0 23.67600100 +0 0.2305 O( 396 THR 51) 13.61100000 +0 15.75700000 +0 24.02700000 +0 -0.6529 C( 397 THR 51) 12.05100000 +0 15.76500000 +0 22.17000000 +0 -0.5404 N( 398 ASP* 52) 10.08800000 +0 18.20900000 +0 22.58799900 +0 -0.4036 C( 399 ASP* 52) 8.73200000 +0 18.45700100 +0 22.10400000 +0 0.0012 C( 400 ASP* 52) 8.41100000 +0 17.31900000 +0 21.15600000 +0 0.5669 O( 401 ASP* 52) 9.25100000 +0 16.94400000 +0 20.33600000 +0 -0.6597 C( 402 ASP 52) 8.65700000 +0 19.78300100 +0 21.37200000 +0 -0.5062 C( 403 ASP 52) 8.87500000 +0 20.95100000 +0 22.28400000 +0 0.7852 O( 404 ASP 52) 8.67600000 +0 20.81900000 +0 23.50099900 +0 -0.7949 O( 405 ASP 52) 9.23700000 +0 22.02800000 +0 21.78100000 +0 -0.7845 N( 406 TYR* 53) 7.18200000 +0 16.81600000 +0 21.23900000 +0 -0.4460 C( 407 TYR* 53) 6.76100000 +0 15.66100000 +0 20.46299900 +0 -0.0565 C( 408 TYR* 53) 5.48800000 +0 15.80500000 +0 19.69599900 +0 0.5620 O( 409 TYR* 53) 4.48900000 +0 16.31300000 +0 20.20700100 +0 -0.6816 C( 410 TYR 53) 6.51300000 +0 14.48200000 +0 21.40099900 +0 -0.3180 C( 411 TYR 53) 7.73100000 +0 13.98900000 +0 22.11599900 +0 -0.0736 C( 412 TYR 53) 8.15100000 +0 14.58100000 +0 23.30500000 +0 -0.0504 C( 413 TYR 53) 8.48700000 +0 12.94000000 +0 21.59300000 +0 -0.0865 C( 414 TYR 53) 9.29500000 +0 14.14600000 +0 23.95400000 +0 -0.3749 C( 415 TYR 53) 9.62800000 +0 12.49700000 +0 22.23399900 +0 -0.3290 C( 416 TYR 53) 10.01900000 +0 13.10900000 +0 23.41200100 +0 0.3549 O( 417 TYR 53) 11.14500000 +0 12.68100000 +0 24.05200000 +0 -0.5444 N( 418 GLY* 54) 5.51400000 +0 15.28100000 +0 18.48500100 +0 -0.3700 C( 419 GLY* 54) 4.31600000 +0 15.23400000 +0 17.69000100 +0 -0.3210 C( 420 GLY* 54) 3.86600000 +0 16.43899900 +0 16.92600100 +0 0.5972 O( 421 GLY* 54) 4.50500000 +0 17.49099900 +0 16.89399900 +0 -0.6505 N( 422 ILE* 55) 2.67700000 +0 16.27000000 +0 16.37900000 +0 -0.4655 C( 423 ILE* 55) 2.05000000 +0 17.25200100 +0 15.54400000 +0 -0.1215 C( 424 ILE* 55) 1.85100000 +0 18.59800000 +0 16.24900100 +0 0.5663 O( 425 ILE* 55) 1.92700000 +0 19.64399900 +0 15.61000000 +0 -0.5852 C( 426 ILE 55) 0.75200000 +0 16.64900000 +0 14.92900000 +0 -0.0197 C( 427 ILE 55) 0.37900000 +0 17.40300000 +0 13.65600000 +0 -0.2681 C( 428 ILE 55) -0.36600000 +0 16.58200100 +0 15.97300000 +0 -0.5022 C( 429 ILE 55) -0.50700000 +0 16.62599900 +0 12.73400000 +0 -0.4696 N( 430 LEU* 56) 1.66300000 +0 18.57399900 +0 17.56500100 +0 -0.4721 C( 431 LEU* 56) 1.48600000 +0 19.80200000 +0 18.31399900 +0 -0.0743 C( 432 LEU* 56) 2.67000000 +0 20.09900100 +0 19.20400000 +0 0.5477 O( 433 LEU* 56) 2.59500000 +0 20.94000100 +0 20.09700000 +0 -0.6214 C( 434 LEU 56) 0.17900000 +0 19.77700000 +0 19.10600100 +0 -0.3367 C( 435 LEU 56) -1.06400000 +0 19.95100000 +0 18.23000000 +0 0.0457 C( 436 LEU 56) -2.31900000 +0 19.70900000 +0 19.04999900 +0 -0.5169 C( 437 LEU 56) -1.05200000 +0 21.34600100 +0 17.61000100 +0 -0.5157 N( 438 GLN* 57) 3.75800000 +0 19.36400000 +0 18.99600000 +0 -0.4354 C( 439 GLN* 57) 4.98400000 +0 19.59300000 +0 19.74799900 +0 -0.0710 C( 440 GLN* 57) 4.77800000 +0 19.74099900 +0 21.25700000 +0 0.5772 O( 441 GLN* 57) 5.18500000 +0 20.73399900 +0 21.85400000 +0 -0.5839 C( 442 GLN 57) 5.69700000 +0 20.82300000 +0 19.17300000 +0 -0.2618 C( 443 GLN 57) 6.28900000 +0 20.56699900 +0 17.78700100 +0 -0.4241 C( 444 GLN 57) 7.43900000 +0 19.58900100 +0 17.84300000 +0 0.6226 O( 445 GLN 57) 8.57000000 +0 19.97699900 +0 18.11500000 +0 -0.6055 N( 446 GLN 57) 7.14800000 +0 18.30200000 +0 17.62800000 +0 -0.5911 N( 447 ILE* 58) 4.17300000 +0 18.72800100 +0 21.86100000 +0 -0.4570 C( 448 ILE* 58) 3.90200000 +0 18.72100100 +0 23.28500000 +0 -0.1017 C( 449 ILE* 58) 5.19000000 +0 18.41700000 +0 24.05200000 +0 0.5632 O( 450 ILE* 58) 5.94400000 +0 17.48600000 +0 23.72500000 +0 -0.6644 C( 451 ILE 58) 2.75900000 +0 17.75799900 +0 23.58900100 +0 -0.0349 C( 452 ILE 58) 1.46100000 +0 18.36700100 +0 23.04999900 +0 -0.2704 C( 453 ILE 58) 2.67700000 +0 17.45700100 +0 25.08000000 +0 -0.5119 C( 454 ILE 58) 0.28100000 +0 17.44100000 +0 23.10700000 +0 -0.4728 N( 455 ASN* 59) 5.44300000 +0 19.24700000 +0 25.05299900 +0 -0.4040 C( 456 ASN* 59) 6.67100000 +0 19.19500000 +0 25.83900100 +0 -0.0265 C( 457 ASN* 59) 6.73800000 +0 18.15600000 +0 26.96699900 +0 0.5699 O( 458 ASN* 59) 5.80900000 +0 18.02800000 +0 27.77899900 +0 -0.6731 C( 459 ASN 59) 6.95900000 +0 20.61400000 +0 26.34400000 +0 -0.4493 C( 460 ASN 59) 8.29500000 +0 20.72500000 +0 27.00600100 +0 0.6101 O( 461 ASN 59) 8.37900000 +0 20.67300000 +0 28.21999900 +0 -0.7344 N( 462 ASN 59) 9.35000000 +0 20.86100000 +0 26.21999900 +0 -0.5154 N( 463 SER* 60) 7.87500000 +0 17.45599900 +0 27.03900000 +0 -0.4528 C( 464 SER* 60) 8.11500000 +0 16.41799900 +0 28.03900000 +0 -0.0921 C( 465 SER* 60) 8.37200000 +0 16.95200000 +0 29.45700100 +0 0.5746 O( 466 SER* 60) 8.34800000 +0 16.18600100 +0 30.42000000 +0 -0.5904 C( 467 SER 60) 9.29000000 +0 15.54000000 +0 27.60100000 +0 0.0068 O( 468 SER 60) 10.50000000 +0 16.28200000 +0 27.59600100 +0 -0.6012 N( 469 ARG* 61) 8.64300000 +0 18.24900100 +0 29.57700000 +0 -0.4528 C( 470 ARG* 61) 8.88900000 +0 18.87599900 +0 30.87999900 +0 -0.0426 C( 471 ARG* 61) 7.63900000 +0 18.80900000 +0 31.74900100 +0 0.5775 O( 472 ARG* 61) 7.73600000 +0 18.63999900 +0 32.96900200 +0 -0.6611 C( 473 ARG 61) 9.32000000 +0 20.34100000 +0 30.70000100 +0 -0.3118 C( 474 ARG 61) 9.43600000 +0 21.17400000 +0 31.96699900 +0 -0.2817 C( 475 ARG 61) 10.64200000 +0 20.79200000 +0 32.81300000 +0 -0.1092 N( 476 ARG 61) 11.91000000 +0 20.93199900 +0 32.09000000 +0 -0.4036 C( 477 ARG 61) 13.00900000 +0 20.23200000 +0 32.36800000 +0 0.5225 N( 478 ARG 61) 13.00400000 +0 19.33900100 +0 33.35900100 +0 -0.5154 N( 479 ARG 61) 14.11200000 +0 20.41900100 +0 31.65399900 +0 -0.4951 N( 480 TRP* 62) 6.46700000 +0 18.84000000 +0 31.11800000 +0 -0.3913 C( 481 TRP* 62) 5.22600000 +0 18.81800100 +0 31.87500000 +0 -0.0751 C( 482 TRP* 62) 4.18100000 +0 17.81600000 +0 31.47900000 +0 0.5963 O( 483 TRP* 62) 3.46000000 +0 17.30100100 +0 32.32700000 +0 -0.6636 C( 484 TRP 62) 4.50900000 +0 20.16900100 +0 31.75300000 +0 -0.2945 C( 485 TRP 62) 5.36100000 +0 21.36100000 +0 31.93000000 +0 -0.1145 C( 486 TRP 62) 5.90500000 +0 22.13600000 +0 30.94000100 +0 -0.1057 C( 487 TRP 62) 5.78400000 +0 21.92300000 +0 33.16700000 +0 -0.0695 N( 488 TRP 62) 6.64700000 +0 23.14800100 +0 31.49799900 +0 -0.1931 C( 489 TRP 62) 6.59200000 +0 23.04100000 +0 32.86200000 +0 0.0504 C( 490 TRP 62) 5.56400000 +0 21.58799900 +0 34.50999800 +0 -0.1196 C( 491 TRP 62) 7.18500000 +0 23.83499900 +0 33.85699800 +0 -0.2026 C( 492 TRP 62) 6.15200000 +0 22.37299900 +0 35.50099900 +0 -0.1869 C( 493 TRP 62) 6.95400000 +0 23.48500100 +0 35.16799900 +0 -0.0960 N( 494 TRP* 63) 4.14300000 +0 17.45200000 +0 30.18600100 +0 -0.4385 C( 495 TRP* 63) 2.92200000 +0 16.76400000 +0 29.74000000 +0 -0.0403 C( 496 TRP* 63) 3.09100000 +0 15.27800000 +0 29.43800000 +0 0.5335 O( 497 TRP* 63) 2.08200000 +0 14.54800000 +0 29.44300100 +0 -0.6635 C( 498 TRP 63) 2.40400000 +0 17.44599900 +0 28.50000000 +0 -0.2911 C( 499 TRP 63) 2.24300000 +0 18.93700000 +0 28.75900100 +0 -0.0973 C( 500 TRP 63) 3.04300000 +0 19.91799900 +0 28.31300000 +0 -0.1299 C( 501 TRP 63) 1.20600000 +0 19.53000100 +0 29.53800000 +0 -0.1256 N( 502 TRP 63) 2.53500000 +0 21.14600000 +0 28.80999900 +0 -0.2287 C( 503 TRP 63) 1.44700000 +0 20.90300000 +0 29.53800000 +0 0.0936 C( 504 TRP 63) 0.09600000 +0 19.02500000 +0 30.24300000 +0 -0.1190 C( 505 TRP 63) 0.62800000 +0 21.82099900 +0 30.22500000 +0 -0.2252 C( 506 TRP 63) -0.71800000 +0 19.95200000 +0 30.92400000 +0 -0.2126 C( 507 TRP 63) -0.45900000 +0 21.29400100 +0 30.91400000 +0 -0.0797 N( 508 CYS* 64) 4.27400000 +0 14.76700000 +0 29.15800100 +0 -0.3811 C( 509 CYS* 64) 4.42300000 +0 13.35800000 +0 28.86100000 +0 -0.0624 C( 510 CYS* 64) 5.74700000 +0 12.87000000 +0 29.41600000 +0 0.5654 O( 511 CYS* 64) 6.63800000 +0 13.66700000 +0 29.74399900 +0 -0.5628 C( 512 CYS 64) 4.33400000 +0 13.11600000 +0 27.34900100 +0 -0.3381 S( 513 CYS 64) 5.62400000 +0 13.96300000 +0 26.36500000 +0 -0.0159 N( 514 ASN* 65) 5.85400000 +0 11.55800000 +0 29.55500000 +0 -0.4277 C( 515 ASN* 65) 7.06200000 +0 10.95200000 +0 30.07300000 +0 -0.0250 C( 516 ASN* 65) 7.93000000 +0 10.35500000 +0 28.96699900 +0 0.5556 O( 517 ASN* 65) 7.45900000 +0 9.50000000 +0 28.20800000 +0 -0.6579 C( 518 ASN 65) 6.71500000 +0 9.84900000 +0 31.07600000 +0 -0.4431 C( 519 ASN 65) 7.95700000 +0 9.24700000 +0 31.71999900 +0 0.6103 O( 520 ASN 65) 8.89300000 +0 9.96900000 +0 32.08400000 +0 -0.6975 N( 521 ASN 65) 7.99000000 +0 7.92600000 +0 31.83200100 +0 -0.4838 N( 522 ASP* 66) 9.17400000 +0 10.82000000 +0 28.85800000 +0 -0.4378 C( 523 ASP* 66) 10.08800000 +0 10.25700000 +0 27.87500000 +0 -0.0313 C( 524 ASP* 66) 11.27700000 +0 9.58000000 +0 28.53700100 +0 0.5485 O( 525 ASP* 66) 12.21000000 +0 9.14700000 +0 27.86899900 +0 -0.5664 C( 526 ASP 66) 10.54900000 +0 11.29200000 +0 26.85100000 +0 -0.4880 C( 527 ASP 66) 11.34500000 +0 12.43400000 +0 27.45299900 +0 0.7645 O( 528 ASP 66) 11.65300000 +0 12.44700000 +0 28.66600000 +0 -0.8218 O( 529 ASP 66) 11.65600000 +0 13.35900000 +0 26.67900100 +0 -0.7489 N( 530 GLY* 67) 11.23400000 +0 9.49900000 +0 29.86000100 +0 -0.4181 C( 531 GLY* 67) 12.29900000 +0 8.86500000 +0 30.60700000 +0 -0.2565 C( 532 GLY* 67) 13.63400000 +0 9.58900000 +0 30.63400100 +0 0.5923 O( 533 GLY* 67) 14.60500000 +0 9.04200000 +0 31.16400000 +0 -0.6344 N( 534 ARG* 68) 13.71200000 +0 10.80500000 +0 30.09900100 +0 -0.4497 C( 535 ARG* 68) 14.98200000 +0 11.52300000 +0 30.10100000 +0 -0.0600 C( 536 ARG* 68) 14.87200000 +0 13.02200000 +0 30.35600100 +0 0.5588 O( 537 ARG* 68) 15.70800000 +0 13.80500000 +0 29.88299900 +0 -0.6273 C( 538 ARG 68) 15.73100000 +0 11.28600000 +0 28.79400100 +0 -0.2748 C( 539 ARG 68) 15.05700000 +0 11.89000000 +0 27.59199900 +0 -0.2972 C( 540 ARG 68) 16.03500000 +0 11.95600000 +0 26.45900000 +0 -0.0947 N( 541 ARG 68) 15.59500000 +0 12.86400000 +0 25.41300000 +0 -0.4131 C( 542 ARG 68) 16.06300000 +0 12.84300000 +0 24.16700000 +0 0.5406 N( 543 ARG 68) 16.99799900 +0 11.95200000 +0 23.82900000 +0 -0.5337 N( 544 ARG 68) 15.59900000 +0 13.70700000 +0 23.26199900 +0 -0.5264 N( 545 THR* 69) 13.85400000 +0 13.43000000 +0 31.09700000 +0 -0.4274 C( 546 THR* 69) 13.67800000 +0 14.83600000 +0 31.42499900 +0 -0.1697 C( 547 THR* 69) 13.53800000 +0 14.84900000 +0 32.94599900 +0 0.5476 O( 548 THR* 69) 12.43200000 +0 14.80000000 +0 33.48199800 +0 -0.6714 C( 549 THR 69) 12.40400000 +0 15.42000000 +0 30.76400000 +0 0.2400 O( 550 THR 69) 12.39300000 +0 15.08700000 +0 29.36700100 +0 -0.6384 C( 551 THR 69) 12.36400000 +0 16.93400000 +0 30.91799900 +0 -0.5434 N( 552 PRO* 70) 14.66800000 +0 14.79900000 +0 33.66000000 +0 -0.2905 C( 553 PRO* 70) 14.71200000 +0 14.79600000 +0 35.12300100 +0 -0.0630 C( 554 PRO* 70) 13.81300000 +0 15.83900000 +0 35.75600100 +0 0.5586 O( 555 PRO* 70) 13.78100000 +0 16.99900100 +0 35.32500100 +0 -0.6056 C( 556 PRO 70) 16.17100000 +0 15.09900000 +0 35.40499900 +0 -0.2803 C( 557 PRO 70) 16.85899900 +0 14.37200000 +0 34.28699900 +0 -0.2824 C( 558 PRO 70) 16.02700000 +0 14.76500000 +0 33.09500100 +0 -0.1190 N( 559 GLY* 71) 13.05900000 +0 15.40200000 +0 36.75700000 +0 -0.4179 C( 560 GLY* 71) 12.15700000 +0 16.29900000 +0 37.45700100 +0 -0.2548 C( 561 GLY* 71) 11.04500000 +0 16.87500000 +0 36.59600100 +0 0.5759 O( 562 GLY* 71) 10.65500000 +0 18.02800000 +0 36.77899900 +0 -0.5681 N( 563 SER* 72) 10.57700000 +0 16.10500000 +0 35.62699900 +0 -0.4278 C( 564 SER* 72) 9.50200000 +0 16.55900000 +0 34.76599900 +0 -0.1326 C( 565 SER* 72) 8.20600000 +0 15.89700000 +0 35.22200000 +0 0.5793 O( 566 SER* 72) 8.21500000 +0 14.89500000 +0 35.94699900 +0 -0.6530 C( 567 SER 72) 9.78700000 +0 16.20900000 +0 33.30199800 +0 -0.0099 O( 568 SER 72) 9.65200000 +0 14.81600000 +0 33.05699900 +0 -0.5463 N( 569 ARG* 73) 7.09400000 +0 16.49600000 +0 34.83200100 +0 -0.4207 C( 570 ARG* 73) 5.79100000 +0 15.97000000 +0 35.18000000 +0 -0.0638 C( 571 ARG* 73) 5.29200000 +0 15.22600000 +0 33.95800000 +0 0.5512 O( 572 ARG* 73) 5.89300000 +0 15.29600000 +0 32.87200200 +0 -0.5476 C( 573 ARG 73) 4.83600000 +0 17.10899900 +0 35.54499800 +0 -0.3001 C( 574 ARG 73) 5.24800000 +0 17.87800000 +0 36.79700100 +0 -0.2804 C( 575 ARG 73) 4.40900000 +0 17.47400100 +0 38.01100200 +0 -0.1168 N( 576 ARG 73) 3.12000000 +0 18.17700000 +0 38.04700100 +0 -0.3970 C( 577 ARG 73) 2.10300000 +0 17.86300100 +0 38.85200100 +0 0.5293 N( 578 ARG 73) 2.19800000 +0 16.84400000 +0 39.70100000 +0 -0.4830 N( 579 ARG 73) 0.98200000 +0 18.57399900 +0 38.81000100 +0 -0.4869 N( 580 ASN* 74) 4.21700000 +0 14.48200000 +0 34.14600000 +0 -0.4604 C( 581 ASN* 74) 3.60100000 +0 13.71600000 +0 33.07700000 +0 0.0021 C( 582 ASN* 74) 2.11100000 +0 13.97100000 +0 33.25500100 +0 0.5457 O( 583 ASN* 74) 1.33000000 +0 13.05300000 +0 33.50099900 +0 -0.6551 C( 584 ASN 74) 3.92900000 +0 12.23000000 +0 33.23000000 +0 -0.4479 C( 585 ASN 74) 3.32300000 +0 11.38000000 +0 32.13200000 +0 0.6314 O( 586 ASN 74) 2.70900000 +0 11.89000000 +0 31.19800000 +0 -0.6553 N( 587 ASN 74) 3.47400000 +0 10.07100000 +0 32.25500100 +0 -0.5576 N( 588 LEU* 75) 1.73000000 +0 15.23800000 +0 33.13000100 +0 -0.4464 C( 589 LEU* 75) 0.34300000 +0 15.64600000 +0 33.31600200 +0 -0.0600 C( 590 LEU* 75) -0.67200000 +0 14.97900000 +0 32.40399900 +0 0.5502 O( 591 LEU* 75) -1.83600000 +0 14.84700000 +0 32.77700000 +0 -0.5906 C( 592 LEU 75) 0.22200000 +0 17.16900100 +0 33.26599900 +0 -0.3409 C( 593 LEU 75) 0.96700000 +0 17.84700000 +0 34.41700000 +0 0.0451 C( 594 LEU 75) 0.94000000 +0 19.36300100 +0 34.26900100 +0 -0.5221 C( 595 LEU 75) 0.32900000 +0 17.41400000 +0 35.73600000 +0 -0.5194 N( 596 CYS* 76) -0.25400000 +0 14.53800000 +0 31.22500000 +0 -0.4637 C( 597 CYS* 76) -1.18800000 +0 13.85700000 +0 30.34100000 +0 -0.0374 C( 598 CYS* 76) -1.17800000 +0 12.35200000 +0 30.56699900 +0 0.5513 O( 599 CYS* 76) -1.95100000 +0 11.62300000 +0 29.94899900 +0 -0.6718 C( 600 CYS 76) -0.90900000 +0 14.18600000 +0 28.87500000 +0 -0.3455 S( 601 CYS 76) -1.37800000 +0 15.89700000 +0 28.48700000 +0 -0.0417 N( 602 ASN* 77) -0.29100000 +0 11.88800000 +0 31.43899900 +0 -0.4074 C( 603 ASN* 77) -0.19400000 +0 10.46900000 +0 31.75700000 +0 -0.0179 C( 604 ASN* 77) -0.00500000 +0 9.57800000 +0 30.55699900 +0 0.5583 O( 605 ASN* 77) -0.74700000 +0 8.61300000 +0 30.35000000 +0 -0.6099 C( 606 ASN 77) -1.41800000 +0 10.00800000 +0 32.53900100 +0 -0.4639 C( 607 ASN 77) -1.13400000 +0 9.90900000 +0 34.00799900 +0 0.6023 O( 608 ASN 77) -0.32200000 +0 9.07400000 +0 34.43600100 +0 -0.6023 N( 609 ASN 77) -1.74600000 +0 10.78800000 +0 34.79299900 +0 -0.5294 N( 610 ILE* 78) 1.01100000 +0 9.89000000 +0 29.76899900 +0 -0.4242 C( 611 ILE* 78) 1.30000000 +0 9.10900000 +0 28.57900000 +0 -0.0907 C( 612 ILE* 78) 2.77200000 +0 9.17100000 +0 28.22800100 +0 0.5756 O( 613 ILE* 78) 3.48200000 +0 10.10500000 +0 28.62100000 +0 -0.6616 C( 614 ILE 78) 0.58500000 +0 9.65600000 +0 27.29700100 +0 -0.0469 C( 615 ILE 78) 0.77900000 +0 11.17000000 +0 27.18800000 +0 -0.2585 C( 616 ILE 78) -0.85300000 +0 9.19100000 +0 27.21600000 +0 -0.4879 C( 617 ILE 78) 0.48300000 +0 11.73400000 +0 25.81300000 +0 -0.4649 N( 618 PRO* 79) 3.27800000 +0 8.10800000 +0 27.58799900 +0 -0.3395 C( 619 PRO* 79) 4.68900000 +0 8.15300000 +0 27.20200000 +0 -0.0581 C( 620 PRO* 79) 4.68900000 +0 9.13000000 +0 26.01600100 +0 0.5448 O( 621 PRO* 79) 3.71700000 +0 9.19600000 +0 25.25000000 +0 -0.6323 C( 622 PRO 79) 4.97700000 +0 6.71600000 +0 26.76000000 +0 -0.2705 C( 623 PRO 79) 3.62500000 +0 6.17300000 +0 26.35400000 +0 -0.2812 C( 624 PRO 79) 2.70100000 +0 6.76700000 +0 27.38699900 +0 -0.0781 N( 625 CYS* 80) 5.73700000 +0 9.92700000 +0 25.89399900 +0 -0.4630 C( 626 CYS* 80) 5.80100000 +0 10.89300000 +0 24.80600000 +0 -0.0437 C( 627 CYS* 80) 5.70900000 +0 10.22200000 +0 23.43899900 +0 0.5512 O( 628 CYS* 80) 5.19800000 +0 10.81500000 +0 22.47600000 +0 -0.6037 C( 629 CYS 80) 7.07300000 +0 11.72600000 +0 24.91500100 +0 -0.3487 S( 630 CYS 80) 7.18900000 +0 12.67500000 +0 26.46400100 +0 -0.0762 N( 631 SER* 81) 6.16700000 +0 8.97700000 +0 23.35400000 +0 -0.4274 C( 632 SER* 81) 6.11200000 +0 8.24900000 +0 22.09300000 +0 -0.0946 C( 633 SER* 81) 4.67700000 +0 8.13000000 +0 21.56900000 +0 0.5678 O( 634 SER* 81) 4.45900000 +0 8.10400000 +0 20.35500000 +0 -0.6370 C( 635 SER 81) 6.73200000 +0 6.86400000 +0 22.24799900 +0 -0.0269 O( 636 SER 81) 6.06500000 +0 6.13600000 +0 23.25799900 +0 -0.6150 N( 637 ALA* 82) 3.69800000 +0 8.10200000 +0 22.47200000 +0 -0.4472 C( 638 ALA* 82) 2.28500000 +0 8.01400000 +0 22.07099900 +0 -0.0036 C( 639 ALA* 82) 1.88400000 +0 9.22300000 +0 21.21500000 +0 0.5426 O( 640 ALA* 82) 0.97200000 +0 9.14100000 +0 20.37400100 +0 -0.6812 C( 641 ALA 82) 1.39100000 +0 7.92200000 +0 23.30100100 +0 -0.5083 N( 642 LEU* 83) 2.58400000 +0 10.33600000 +0 21.41400000 +0 -0.4176 C( 643 LEU* 83) 2.32400000 +0 11.56700000 +0 20.68700000 +0 -0.0555 C( 644 LEU* 83) 2.85500000 +0 11.58500000 +0 19.25499900 +0 0.5646 O( 645 LEU* 83) 2.63500000 +0 12.55300000 +0 18.53100000 +0 -0.6305 C( 646 LEU 83) 2.91800000 +0 12.74400000 +0 21.46200000 +0 -0.3396 C( 647 LEU 83) 2.34500000 +0 12.92100000 +0 22.86500000 +0 0.0430 C( 648 LEU 83) 3.13700000 +0 13.98500000 +0 23.61800000 +0 -0.5156 C( 649 LEU 83) 0.86400000 +0 13.27700000 +0 22.77400000 +0 -0.5117 N( 650 LEU* 84) 3.52200000 +0 10.51800000 +0 18.82700000 +0 -0.4599 C( 651 LEU* 84) 4.08300000 +0 10.47500000 +0 17.48600000 +0 -0.0736 C( 652 LEU* 84) 3.29200000 +0 9.59100000 +0 16.55100100 +0 0.5826 O( 653 LEU* 84) 3.60300000 +0 9.50200000 +0 15.35200000 +0 -0.6555 C( 654 LEU 84) 5.53400000 +0 9.97200000 +0 17.53000100 +0 -0.3285 C( 655 LEU 84) 6.47000000 +0 10.75400000 +0 18.45900000 +0 0.0427 C( 656 LEU 84) 7.84400000 +0 10.12600000 +0 18.42200100 +0 -0.5135 C( 657 LEU 84) 6.56000000 +0 12.20400000 +0 18.02000000 +0 -0.5141 N( 658 SER* 85) 2.27000000 +0 8.94200000 +0 17.10300100 +0 -0.4157 C( 659 SER* 85) 1.39100000 +0 8.04100000 +0 16.35700000 +0 -0.1280 C( 660 SER* 85) 0.67000000 +0 8.69800000 +0 15.19000000 +0 0.5939 O( 661 SER* 85) 0.41400000 +0 9.89200000 +0 15.20900000 +0 -0.6073 C( 662 SER 85) 0.34500000 +0 7.44700000 +0 17.30500000 +0 -0.0225 O( 663 SER 85) -0.60700000 +0 6.68900000 +0 16.58200100 +0 -0.5631 N( 664 SER* 86) 0.33500000 +0 7.90700000 +0 14.17800000 +0 -0.4546 C( 665 SER* 86) -0.40500000 +0 8.41300000 +0 13.03500000 +0 -0.1216 C( 666 SER* 86) -1.82200000 +0 8.76200000 +0 13.47900000 +0 0.5772 O( 667 SER* 86) -2.51600000 +0 9.53600000 +0 12.83000000 +0 -0.6665 C( 668 SER 86) -0.41900000 +0 7.36400000 +0 11.91900000 +0 -0.0178 O( 669 SER 86) -0.79300000 +0 6.09600000 +0 12.40000000 +0 -0.5178 N( 670 ASP* 87) -2.23700000 +0 8.19100000 +0 14.60200000 +0 -0.4218 C( 671 ASP* 87) -3.55200000 +0 8.43800000 +0 15.19100000 +0 0.0101 C( 672 ASP* 87) -3.31000000 +0 9.62100000 +0 16.12700100 +0 0.5718 O( 673 ASP* 87) -2.52600000 +0 9.52000000 +0 17.07500100 +0 -0.6753 C( 674 ASP 87) -3.99500000 +0 7.21700000 +0 15.99900000 +0 -0.4886 C( 675 ASP 87) -5.43100000 +0 7.33200000 +0 16.50900100 +0 0.7459 O( 676 ASP 87) -5.87500000 +0 8.44900000 +0 16.82200100 +0 -0.8164 O( 677 ASP 87) -6.13100000 +0 6.30200000 +0 16.57200100 +0 -0.7110 N( 678 ILE* 88) -3.98200000 +0 10.73800000 +0 15.87200000 +0 -0.3934 C( 679 ILE* 88) -3.77000000 +0 11.93900000 +0 16.68199900 +0 -0.1370 C( 680 ILE* 88) -4.51300000 +0 12.00000000 +0 17.99900100 +0 0.5699 O( 681 ILE* 88) -4.37900000 +0 12.97300000 +0 18.73600000 +0 -0.6738 C( 682 ILE 88) -4.06800000 +0 13.23100000 +0 15.89500000 +0 -0.0274 C( 683 ILE 88) -5.56100000 +0 13.33100000 +0 15.55300000 +0 -0.2702 C( 684 ILE 88) -3.18700000 +0 13.29000000 +0 14.63700000 +0 -0.4949 C( 685 ILE 88) -5.94500000 +0 14.63200000 +0 14.89900000 +0 -0.4583 N( 686 THR* 89) -5.29400000 +0 10.97700000 +0 18.30999900 +0 -0.4206 C( 687 THR* 89) -6.06200000 +0 10.96900000 +0 19.54500000 +0 -0.1625 C( 688 THR* 89) -5.28700000 +0 11.39400000 +0 20.79999900 +0 0.5950 O( 689 THR* 89) -5.74400000 +0 12.26300000 +0 21.54700100 +0 -0.6503 C( 690 THR 89) -6.71500000 +0 9.59400000 +0 19.76300000 +0 0.2453 O( 691 THR 89) -7.53300000 +0 9.28200000 +0 18.63800000 +0 -0.6568 C( 692 THR 89) -7.58800000 +0 9.61800000 +0 20.98700000 +0 -0.5482 N( 693 ALA* 90) -4.12000000 +0 10.80300000 +0 21.03400000 +0 -0.4650 C( 694 ALA* 90) -3.34800000 +0 11.13300000 +0 22.23100100 +0 -0.0034 C( 695 ALA* 90) -2.93100000 +0 12.58900000 +0 22.20400000 +0 0.5586 O( 696 ALA* 90) -3.01100000 +0 13.27200000 +0 23.22699900 +0 -0.6885 C( 697 ALA 90) -2.12000000 +0 10.22500000 +0 22.35500000 +0 -0.5092 N( 698 SER* 91) -2.46300000 +0 13.05600000 +0 21.04900000 +0 -0.3943 C( 699 SER* 91) -2.04600000 +0 14.45200000 +0 20.91300000 +0 -0.1163 C( 700 SER* 91) -3.20900000 +0 15.41200000 +0 21.19500000 +0 0.5504 O( 701 SER* 91) -3.06000000 +0 16.41000000 +0 21.91000000 +0 -0.6490 C( 702 SER 91) -1.46000000 +0 14.70900000 +0 19.51899900 +0 -0.0142 O( 703 SER 91) -0.11100000 +0 14.27800000 +0 19.45800000 +0 -0.5605 N( 704 VAL* 92) -4.37200000 +0 15.09500000 +0 20.64600000 +0 -0.4184 C( 705 VAL* 92) -5.54300000 +0 15.93000000 +0 20.84900100 +0 -0.0991 C( 706 VAL* 92) -5.99000000 +0 15.93400000 +0 22.30999900 +0 0.5690 O( 707 VAL* 92) -6.24600000 +0 17.00000000 +0 22.87200000 +0 -0.6500 C( 708 VAL 92) -6.69900000 +0 15.49500000 +0 19.92700000 +0 0.0064 C( 709 VAL 92) -8.00100000 +0 16.23800100 +0 20.30600000 +0 -0.5153 C( 710 VAL 92) -6.32000000 +0 15.78100000 +0 18.48399900 +0 -0.5095 N( 711 ASN* 93) -6.07200000 +0 14.75900000 +0 22.93300100 +0 -0.4519 C( 712 ASN* 93) -6.49300000 +0 14.67800000 +0 24.33099900 +0 -0.0008 C( 713 ASN* 93) -5.56600000 +0 15.45200000 +0 25.24600000 +0 0.5454 O( 714 ASN* 93) -6.01900000 +0 16.11800000 +0 26.17600100 +0 -0.6464 C( 715 ASN 93) -6.58500000 +0 13.22800000 +0 24.81200000 +0 -0.4558 C( 716 ASN 93) -7.71000000 +0 12.46200000 +0 24.13900000 +0 0.6367 O( 717 ASN 93) -8.61000000 +0 13.05800000 +0 23.54000100 +0 -0.6080 N( 718 ASN 93) -7.66000000 +0 11.12800000 +0 24.23200000 +0 -0.5704 N( 719 CYS* 94) -4.26700000 +0 15.36000000 +0 24.98800100 +0 -0.4316 C( 720 CYS* 94) -3.30100000 +0 16.07500100 +0 25.79800000 +0 -0.0479 C( 721 CYS* 94) -3.38700000 +0 17.57700000 +0 25.51800000 +0 0.5570 O( 722 CYS* 94) -3.32700000 +0 18.38900000 +0 26.44000100 +0 -0.6232 C( 723 CYS 94) -1.89900000 +0 15.54400000 +0 25.52199900 +0 -0.3567 S( 724 CYS 94) -0.62100000 +0 16.20100000 +0 26.63100100 +0 -0.0179 N( 725 ALA* 95) -3.56300000 +0 17.94400000 +0 24.24900100 +0 -0.4532 C( 726 ALA* 95) -3.67600000 +0 19.35000000 +0 23.86100000 +0 0.0063 C( 727 ALA* 95) -4.87200000 +0 20.00000000 +0 24.57500100 +0 0.5553 O( 728 ALA* 95) -4.81800000 +0 21.16300000 +0 24.96800000 +0 -0.6317 C( 729 ALA 95) -3.82300000 +0 19.47400100 +0 22.35500000 +0 -0.5114 N( 730 LYS* 96) -5.95300000 +0 19.24799900 +0 24.74700000 +0 -0.4528 C( 731 LYS* 96) -7.12300000 +0 19.77400000 +0 25.43899900 +0 -0.0510 C( 732 LYS* 96) -6.76500000 +0 20.14399900 +0 26.87299900 +0 0.5662 O( 733 LYS* 96) -7.23900000 +0 21.14200000 +0 27.38400100 +0 -0.6491 C( 734 LYS 96) -8.25900000 +0 18.74500100 +0 25.42900100 +0 -0.2907 C( 735 LYS 96) -8.91200000 +0 18.59199900 +0 24.07799900 +0 -0.2629 C( 736 LYS 96) -9.99900000 +0 17.53800000 +0 24.10199900 +0 -0.2802 C( 737 LYS 96) -10.60200000 +0 17.39600000 +0 22.70800000 +0 -0.2411 N( 738 LYS 96) -11.50700000 +0 16.22400100 +0 22.58499900 +0 -0.1174 N( 739 LYS* 97) -5.93500000 +0 19.33799900 +0 27.52800000 +0 -0.4347 C( 740 LYS* 97) -5.54500000 +0 19.64300000 +0 28.90600000 +0 -0.0488 C( 741 LYS* 97) -4.65200000 +0 20.87800000 +0 28.93300100 +0 0.5421 O( 742 LYS* 97) -4.78600000 +0 21.74300000 +0 29.79200000 +0 -0.6206 C( 743 LYS 97) -4.80800000 +0 18.46500000 +0 29.55800100 +0 -0.3026 C( 744 LYS 97) -5.66400000 +0 17.21699900 +0 29.75300000 +0 -0.2599 C( 745 LYS 97) -4.98700000 +0 16.20900000 +0 30.67900100 +0 -0.2787 C( 746 LYS 97) -5.83300000 +0 14.93400000 +0 30.83900100 +0 -0.2418 N( 747 LYS 97) -5.98100000 +0 14.14400000 +0 29.57500100 +0 -0.0916 N( 748 ILE* 98) -3.73300000 +0 20.95200000 +0 27.97900000 +0 -0.4235 C( 749 ILE* 98) -2.80700000 +0 22.08000000 +0 27.90099900 +0 -0.1094 C( 750 ILE* 98) -3.55200000 +0 23.40000000 +0 27.70700100 +0 0.5650 O( 751 ILE* 98) -3.36000000 +0 24.33000000 +0 28.46500000 +0 -0.6177 C( 752 ILE 98) -1.76100000 +0 21.87500000 +0 26.74700000 +0 -0.0341 C( 753 ILE 98) -0.89200000 +0 20.64500000 +0 27.02899900 +0 -0.2765 C( 754 ILE 98) -0.88900000 +0 23.11500000 +0 26.56100100 +0 -0.5026 C( 755 ILE 98) 0.00600000 +0 20.27500000 +0 25.87999900 +0 -0.4512 N( 756 VAL* 99) -4.44500000 +0 23.45500000 +0 26.73100100 +0 -0.4545 C( 757 VAL* 99) -5.17400000 +0 24.67900100 +0 26.43800000 +0 -0.1101 C( 758 VAL* 99) -6.13600000 +0 25.10700000 +0 27.55800100 +0 0.5816 O( 759 VAL* 99) -6.58400000 +0 26.25900100 +0 27.59600100 +0 -0.6237 C( 760 VAL 99) -5.90300000 +0 24.57300000 +0 25.08000000 +0 0.0175 C( 761 VAL 99) -7.11800000 +0 23.66099900 +0 25.18600100 +0 -0.5178 C( 762 VAL 99) -6.27700000 +0 25.94100000 +0 24.57099900 +0 -0.5254 N( 763 SER*100) -6.44000000 +0 24.18499900 +0 28.46699900 +0 -0.4513 C( 764 SER*100) -7.31900000 +0 24.47100100 +0 29.59800000 +0 -0.1294 C( 765 SER*100) -6.49300000 +0 24.90500100 +0 30.80999900 +0 0.5277 O( 766 SER*100) -7.04000000 +0 25.34100000 +0 31.82099900 +0 -0.5771 C( 767 SER 100) -8.10700000 +0 23.21900000 +0 29.96299900 +0 -0.0070 O( 768 SER 100) -8.96300000 +0 22.83799900 +0 28.90800100 +0 -0.5969 N( 769 ASP*101) -5.17400000 +0 24.79700100 +0 30.67200100 +0 -0.4540 C( 770 ASP*101) -4.19300000 +0 25.10600100 +0 31.70999900 +0 -0.0017 C( 771 ASP*101) -4.14600000 +0 26.54999900 +0 32.20299900 +0 0.5358 O( 772 ASP*101) -3.47100000 +0 26.84700000 +0 33.19200100 +0 -0.5227 C( 773 ASP 101) -2.81300000 +0 24.69899900 +0 31.20100000 +0 -0.4995 C( 774 ASP 101) -1.79300000 +0 24.59700000 +0 32.29600100 +0 0.7826 O( 775 ASP 101) -2.06100000 +0 23.89699900 +0 33.30099900 +0 -0.7712 O( 776 ASP 101) -0.70300000 +0 25.19300100 +0 32.13399900 +0 -0.7843 N( 777 GLY*102) -4.82300000 +0 27.45900000 +0 31.51000000 +0 -0.4303 C( 778 GLY*102) -4.80900000 +0 28.84800000 +0 31.95100000 +0 -0.2683 C( 779 GLY*102) -4.26200000 +0 29.86899900 +0 30.96699900 +0 0.5815 O( 780 GLY*102) -4.73700000 +0 31.01499900 +0 30.95500000 +0 -0.5865 N( 781 ASN*103) -3.27500000 +0 29.48700000 +0 30.15200000 +0 -0.4731 C( 782 ASN*103) -2.71100000 +0 30.41700000 +0 29.17200100 +0 -0.0120 C( 783 ASN*103) -3.27000000 +0 30.21200000 +0 27.77100000 +0 0.5715 O( 784 ASN*103) -2.84800000 +0 30.86899900 +0 26.81900000 +0 -0.7181 C( 785 ASN 103) -1.19500000 +0 30.31600000 +0 29.15300000 +0 -0.4544 C( 786 ASN 103) -0.60000000 +0 30.54999900 +0 30.51499900 +0 0.6108 O( 787 ASN 103) -0.73200000 +0 31.63900000 +0 31.07900000 +0 -0.5847 N( 788 ASN 103) 0.01300000 +0 29.51300000 +0 31.08600000 +0 -0.5628 N( 789 GLY*104) -4.23200000 +0 29.31100100 +0 27.65200000 +0 -0.3288 C( 790 GLY*104) -4.83800000 +0 29.05200000 +0 26.36500000 +0 -0.2776 C( 791 GLY*104) -3.82100000 +0 28.55500000 +0 25.35300100 +0 0.5752 O( 792 GLY*104) -2.87100000 +0 27.85899900 +0 25.69800000 +0 -0.6123 N( 793 MET*105) -3.98100000 +0 28.96900000 +0 24.10199900 +0 -0.4874 C( 794 MET*105) -3.07200000 +0 28.51800000 +0 23.05699900 +0 -0.0544 C( 795 MET*105) -1.71800000 +0 29.19300100 +0 23.06699900 +0 0.5614 O( 796 MET*105) -0.84100000 +0 28.84700000 +0 22.27700000 +0 -0.6256 C( 797 MET 105) -3.72900000 +0 28.61000100 +0 21.68600100 +0 -0.2908 C( 798 MET 105) -4.75300000 +0 27.50300000 +0 21.46999900 +0 -0.2807 S( 799 MET 105) -5.24200000 +0 27.32000000 +0 19.75700000 +0 -0.0932 C( 800 MET 105) -3.81000000 +0 26.41799900 +0 19.11200000 +0 -0.5036 N( 801 ASN*106) -1.54400000 +0 30.15800100 +0 23.96699900 +0 -0.4641 C( 802 ASN*106) -0.26300000 +0 30.85100000 +0 24.08499900 +0 -0.0185 C( 803 ASN*106) 0.81300000 +0 29.86500000 +0 24.52599900 +0 0.5658 O( 804 ASN*106) 2.00300000 +0 30.15900000 +0 24.40399900 +0 -0.6805 C( 805 ASN 106) -0.35300000 +0 32.03699900 +0 25.04500000 +0 -0.4453 C( 806 ASN 106) -1.23100000 +0 33.15000200 +0 24.50099900 +0 0.6177 O( 807 ASN 106) -0.92400000 +0 33.76800200 +0 23.46699900 +0 -0.6851 N( 808 ASN 106) -2.34700000 +0 33.39099900 +0 25.17100000 +0 -0.4979 N( 809 ALA*107) 0.38200000 +0 28.69500000 +0 25.01100000 +0 -0.4363 C( 810 ALA*107) 1.29800000 +0 27.63400100 +0 25.42200100 +0 0.0000 C( 811 ALA*107) 2.12900000 +0 27.16500100 +0 24.21699900 +0 0.5537 O( 812 ALA*107) 3.22100000 +0 26.61400000 +0 24.37800000 +0 -0.6630 C( 813 ALA 107) 0.52100000 +0 26.47300000 +0 26.00700000 +0 -0.5266 N( 814 TRP*108) 1.59800000 +0 27.36100000 +0 23.01300000 +0 -0.4108 C( 815 TRP*108) 2.29400000 +0 26.99200100 +0 21.78300100 +0 -0.0407 C( 816 TRP*108) 2.93800000 +0 28.24200100 +0 21.21600000 +0 0.5646 O( 817 TRP*108) 2.25500000 +0 29.12700100 +0 20.69100000 +0 -0.6848 C( 818 TRP 108) 1.33800000 +0 26.37200000 +0 20.76600100 +0 -0.2688 C( 819 TRP 108) 0.96500000 +0 24.97800100 +0 21.13900000 +0 -0.1108 C( 820 TRP 108) 1.69500000 +0 23.84600100 +0 20.89399900 +0 -0.1136 C( 821 TRP 108) -0.21400000 +0 24.55400100 +0 21.83200100 +0 -0.0799 N( 822 TRP 108) 1.03700000 +0 22.75099900 +0 21.38400100 +0 -0.2139 C( 823 TRP 108) -0.13800000 +0 23.15200000 +0 21.96200000 +0 0.0615 C( 824 TRP 108) -1.32900000 +0 25.22200000 +0 22.35700000 +0 -0.0957 C( 825 TRP 108) -1.13400000 +0 22.39699900 +0 22.60199900 +0 -0.2419 C( 826 TRP 108) -2.32000000 +0 24.46999900 +0 22.99500100 +0 -0.2189 C( 827 TRP 108) -2.21200000 +0 23.07200100 +0 23.10600100 +0 -0.1037 N( 828 VAL*109) 4.26200000 +0 28.29400100 +0 21.30500000 +0 -0.4472 C( 829 VAL*109) 5.01600000 +0 29.44599900 +0 20.84000000 +0 -0.0827 C( 830 VAL*109) 4.76200000 +0 29.79500000 +0 19.36800000 +0 0.5641 O( 831 VAL*109) 4.56800000 +0 30.96999900 +0 19.03800000 +0 -0.6896 C( 832 VAL 109) 6.54200000 +0 29.23600000 +0 21.06100100 +0 -0.0102 C( 833 VAL 109) 7.33500000 +0 30.42400000 +0 20.51499900 +0 -0.4983 C( 834 VAL 109) 6.83600000 +0 29.03900000 +0 22.54500000 +0 -0.4925 N( 835 ALA*110) 4.69100000 +0 28.79299900 +0 18.49700000 +0 -0.4442 C( 836 ALA*110) 4.45800000 +0 29.07099900 +0 17.08000000 +0 0.0041 C( 837 ALA*110) 3.05900000 +0 29.63900000 +0 16.86000100 +0 0.5531 O( 838 ALA*110) 2.85000000 +0 30.44599900 +0 15.96500000 +0 -0.6526 C( 839 ALA 110) 4.67200000 +0 27.82399900 +0 16.23300000 +0 -0.5282 N( 840 TRP*111) 2.09500000 +0 29.20000100 +0 17.66099900 +0 -0.4322 C( 841 TRP*111) 0.74600000 +0 29.72600000 +0 17.52500000 +0 -0.0450 C( 842 TRP*111) 0.77400000 +0 31.20200000 +0 17.90900000 +0 0.5816 O( 843 TRP*111) 0.23400000 +0 32.05500000 +0 17.19599900 +0 -0.6790 C( 844 TRP 111) -0.25000000 +0 28.99700000 +0 18.43100000 +0 -0.2854 C( 845 TRP 111) -1.60600000 +0 29.62400100 +0 18.34700000 +0 -0.1088 C( 846 TRP 111) -2.53400000 +0 29.44000100 +0 17.35800000 +0 -0.1382 C( 847 TRP 111) -2.16300000 +0 30.60000000 +0 19.24099900 +0 -0.0866 N( 848 TRP 111) -3.62700000 +0 30.24500100 +0 17.57700000 +0 -0.2094 C( 849 TRP 111) -3.43100000 +0 30.96100000 +0 18.72699900 +0 0.0820 C( 850 TRP 111) -1.71900000 +0 31.20200000 +0 20.43199900 +0 -0.1117 C( 851 TRP 111) -4.25500000 +0 31.89800100 +0 19.36100000 +0 -0.2059 C( 852 TRP 111) -2.54100000 +0 32.12900200 +0 21.06200000 +0 -0.2221 C( 853 TRP 111) -3.79400000 +0 32.46699900 +0 20.52199900 +0 -0.1083 N( 854 ARG*112) 1.39200000 +0 31.49900100 +0 19.04500000 +0 -0.4278 C( 855 ARG*112) 1.46900000 +0 32.86899900 +0 19.51800000 +0 -0.0516 C( 856 ARG*112) 2.18200000 +0 33.79100000 +0 18.51499900 +0 0.5664 O( 857 ARG*112) 1.70800000 +0 34.89199800 +0 18.20800000 +0 -0.6315 C( 858 ARG 112) 2.20300000 +0 32.90599800 +0 20.85400000 +0 -0.2974 C( 859 ARG 112) 1.99100000 +0 34.18600100 +0 21.61100000 +0 -0.3035 C( 860 ARG 112) 2.97400000 +0 34.30799900 +0 22.75900100 +0 -0.1030 N( 861 ARG 112) 3.25000000 +0 33.00500100 +0 23.35500000 +0 -0.3927 C( 862 ARG 112) 4.47200000 +0 32.51900100 +0 23.54600000 +0 0.5333 N( 863 ARG 112) 5.53300000 +0 33.24200100 +0 23.18899900 +0 -0.5131 N( 864 ARG 112) 4.63200000 +0 31.30600000 +0 24.06399900 +0 -0.5074 N( 865 ASN*113) 3.28600000 +0 33.31300000 +0 17.95900000 +0 -0.4408 C( 866 ASN*113) 4.05900000 +0 34.12500000 +0 17.03800000 +0 -0.0284 C( 867 ASN*113) 3.63500000 +0 34.13000100 +0 15.59400000 +0 0.5301 O( 868 ASN*113) 3.89900000 +0 35.10200100 +0 14.88900000 +0 -0.5599 C( 869 ASN 113) 5.53200000 +0 33.73600000 +0 17.12000100 +0 -0.4589 C( 870 ASN 113) 6.14300000 +0 34.10599900 +0 18.44700100 +0 0.6330 O( 871 ASN 113) 5.75000000 +0 35.10200100 +0 19.05699900 +0 -0.6149 N( 872 ASN 113) 7.09500000 +0 33.31499900 +0 18.90900000 +0 -0.5305 N( 873 ARG*114) 2.91700000 +0 33.10100200 +0 15.16200000 +0 -0.4386 C( 874 ARG*114) 2.55500000 +0 32.98799900 +0 13.76100000 +0 -0.0691 C( 875 ARG*114) 1.08700000 +0 32.80899800 +0 13.41000000 +0 0.5914 O( 876 ARG*114) 0.72000000 +0 32.96300100 +0 12.24800000 +0 -0.6552 C( 877 ARG 114) 3.38000000 +0 31.85800000 +0 13.15600000 +0 -0.2887 C( 878 ARG 114) 4.85800000 +0 32.00199900 +0 13.50100000 +0 -0.2810 C( 879 ARG 114) 5.67500000 +0 30.86599900 +0 12.98100000 +0 -0.1101 N( 880 ARG 114) 5.81800000 +0 30.90399900 +0 11.53000000 +0 -0.4147 C( 881 ARG 114) 6.57400000 +0 30.04700100 +0 10.85100000 +0 0.5416 N( 882 ARG 114) 7.24100000 +0 29.10500000 +0 11.50400000 +0 -0.5038 N( 883 ARG 114) 6.65600000 +0 30.12800000 +0 9.52900000 +0 -0.5108 N( 884 CYS*115) 0.25400000 +0 32.49700200 +0 14.39500000 +0 -0.4173 C( 885 CYS*115) -1.16700000 +0 32.29000100 +0 14.14500000 +0 -0.0542 C( 886 CYS*115) -2.04900000 +0 33.31100100 +0 14.82400000 +0 0.5513 O( 887 CYS*115) -3.02500000 +0 33.77800000 +0 14.23900000 +0 -0.6437 C( 888 CYS 115) -1.58700000 +0 30.91000000 +0 14.62400000 +0 -0.3468 S( 889 CYS 115) -0.63300000 +0 29.58900100 +0 13.84300000 +0 -0.0523 N( 890 LYS*116) -1.72900000 +0 33.60900100 +0 16.07700000 +0 -0.3882 C( 891 LYS*116) -2.48200000 +0 34.55699900 +0 16.88400100 +0 -0.0696 C( 892 LYS*116) -2.70200000 +0 35.86399800 +0 16.14300000 +0 0.5569 O( 893 LYS*116) -1.74500000 +0 36.48000000 +0 15.65600000 +0 -0.6258 C( 894 LYS 116) -1.73300000 +0 34.83499900 +0 18.18700000 +0 -0.3005 C( 895 LYS 116) -2.53700000 +0 35.60699800 +0 19.21900000 +0 -0.2542 C( 896 LYS 116) -1.74100000 +0 35.77700000 +0 20.50799900 +0 -0.2694 C( 897 LYS 116) -2.60700000 +0 36.34100000 +0 21.63699900 +0 -0.2349 N( 898 LYS 116) -1.87400000 +0 36.38600200 +0 22.94199900 +0 -0.1208 N( 899 GLY*117) -3.97200000 +0 36.25700000 +0 16.04900000 +0 -0.3848 C( 900 GLY*117) -4.34000000 +0 37.50299800 +0 15.40000000 +0 -0.2691 C( 901 GLY*117) -4.29100000 +0 37.51900100 +0 13.88700000 +0 0.5740 O( 902 GLY*117) -4.39500000 +0 38.58700200 +0 13.28000000 +0 -0.5777 N( 903 THR*118) -4.05900000 +0 36.36700100 +0 13.26800000 +0 -0.4172 C( 904 THR*118) -4.01800000 +0 36.28900100 +0 11.81500000 +0 -0.1538 C( 905 THR*118) -5.34900000 +0 35.71699900 +0 11.34600000 +0 0.5778 O( 906 THR*118) -6.19400000 +0 35.33900100 +0 12.15800000 +0 -0.6536 C( 907 THR 118) -2.87200000 +0 35.36899900 +0 11.32100000 +0 0.2401 O( 908 THR 118) -3.17100000 +0 34.00500100 +0 11.64700000 +0 -0.6610 C( 909 THR 118) -1.53200000 +0 35.79000100 +0 11.95700000 +0 -0.5632 N( 910 ASP*119) -5.54700000 +0 35.65200000 +0 10.03800000 +0 -0.4505 C( 911 ASP*119) -6.78300000 +0 35.10699800 +0 9.51000000 +0 -0.0049 C( 912 ASP*119) -6.64900000 +0 33.59400200 +0 9.53500000 +0 0.5614 O( 913 ASP*119) -6.31700000 +0 32.98000000 +0 8.52000000 +0 -0.6638 C( 914 ASP 119) -7.00500000 +0 35.59500100 +0 8.07600000 +0 -0.5016 C( 915 ASP 119) -8.26500000 +0 35.01200100 +0 7.44400000 +0 0.7641 O( 916 ASP 119) -9.25700000 +0 34.75400200 +0 8.17000000 +0 -0.8132 O( 917 ASP 119) -8.25700000 +0 34.80699900 +0 6.21100000 +0 -0.7049 N( 918 VAL*120) -6.91800000 +0 32.99000200 +0 10.68800000 +0 -0.4183 C( 919 VAL*120) -6.77500000 +0 31.54500000 +0 10.82900000 +0 -0.1109 C( 920 VAL*120) -7.79900000 +0 30.71100000 +0 10.06800000 +0 0.5644 O( 921 VAL*120) -7.57100000 +0 29.52599900 +0 9.81300000 +0 -0.7006 C( 922 VAL 120) -6.69300000 +0 31.10199900 +0 12.31600000 +0 0.0218 C( 923 VAL 120) -5.40200000 +0 31.61800000 +0 12.94800000 +0 -0.5166 C( 924 VAL 120) -7.88500000 +0 31.59800000 +0 13.08300000 +0 -0.5187 N( 925 GLN*121) -8.91500000 +0 31.32200100 +0 9.68100000 +0 -0.4464 C( 926 GLN*121) -9.94600000 +0 30.61599900 +0 8.92900000 +0 -0.0364 C( 927 GLN*121) -9.36700000 +0 30.12299900 +0 7.58800000 +0 0.5724 O( 928 GLN*121) -9.81300000 +0 29.10899900 +0 7.03600000 +0 -0.6965 C( 929 GLN 121) -11.15200000 +0 31.54900000 +0 8.71000000 +0 -0.2702 C( 930 GLN 121) -12.42900000 +0 30.87400100 +0 8.18100000 +0 -0.3905 C( 931 GLN 121) -12.43200000 +0 30.66400000 +0 6.65900000 +0 0.5994 O( 932 GLN 121) -12.01000000 +0 31.54200000 +0 5.89700000 +0 -0.5399 N( 933 GLN 121) -12.93500000 +0 29.50400000 +0 6.21300000 +0 -0.5675 N( 934 ALA*122) -8.35300000 +0 30.82000000 +0 7.08100000 +0 -0.4305 C( 935 ALA*122) -7.70800000 +0 30.44700100 +0 5.82500000 +0 0.0179 C( 936 ALA*122) -7.13600000 +0 29.03200000 +0 5.86600000 +0 0.5661 O( 937 ALA*122) -7.01500000 +0 28.37800000 +0 4.83100000 +0 -0.7340 C( 938 ALA 122) -6.61300000 +0 31.43000000 +0 5.49100000 +0 -0.5297 N( 939 TRP*123) -6.78200000 +0 28.55200000 +0 7.05600000 +0 -0.4177 C( 940 TRP*123) -6.22600000 +0 27.20400000 +0 7.19800000 +0 -0.0453 C( 941 TRP*123) -7.23600000 +0 26.10100000 +0 6.93100000 +0 0.5466 O( 942 TRP*123) -6.86800000 +0 24.95900000 +0 6.66500000 +0 -0.6783 C( 943 TRP 123) -5.58400000 +0 27.02300100 +0 8.57700000 +0 -0.2650 C( 944 TRP 123) -4.34000000 +0 27.80800100 +0 8.66500000 +0 -0.1382 C( 945 TRP 123) -4.18000000 +0 29.02700000 +0 9.26000000 +0 -0.0799 C( 946 TRP 123) -3.10000000 +0 27.50799900 +0 8.02000000 +0 -0.0816 N( 947 TRP 123) -2.92000000 +0 29.51300000 +0 9.01300000 +0 -0.1961 C( 948 TRP 123) -2.23400000 +0 28.60100000 +0 8.25300000 +0 0.0626 C( 949 TRP 123) -2.63600000 +0 26.42400000 +0 7.25800000 +0 -0.1429 C( 950 TRP 123) -0.93100000 +0 28.64500000 +0 7.74800000 +0 -0.1639 C( 951 TRP 123) -1.33900000 +0 26.46800000 +0 6.75100000 +0 -0.2309 C( 952 TRP 123) -0.50400000 +0 27.57600000 +0 7.00200000 +0 -0.1462 N( 953 ILE*124) -8.51700000 +0 26.43300100 +0 6.99700000 +0 -0.4132 C( 954 ILE*124) -9.53100000 +0 25.42900100 +0 6.74000000 +0 -0.1270 C( 955 ILE*124) -10.32200000 +0 25.73800100 +0 5.47400000 +0 0.5620 O( 956 ILE*124) -11.22500000 +0 24.98399900 +0 5.10300000 +0 -0.6501 C( 957 ILE 124) -10.47000000 +0 25.25700000 +0 7.94500000 +0 -0.0281 C( 958 ILE 124) -11.13300000 +0 26.58499900 +0 8.29600000 +0 -0.2691 C( 959 ILE 124) -9.68300000 +0 24.70800000 +0 9.14200000 +0 -0.4949 C( 960 ILE 124) -12.23900000 +0 26.45000100 +0 9.30300000 +0 -0.4542 N( 961 ARG*125) -9.93700000 +0 26.80100100 +0 4.77400000 +0 -0.4129 C( 962 ARG*125) -10.64600000 +0 27.15900000 +0 3.55600000 +0 -0.0665 C( 963 ARG*125) -10.54100000 +0 26.05699900 +0 2.51400000 +0 0.5654 O( 964 ARG*125) -9.50000000 +0 25.42300000 +0 2.37000000 +0 -0.6624 C( 965 ARG 125) -10.17800000 +0 28.51600100 +0 2.99800000 +0 -0.2933 C( 966 ARG 125) -8.71700000 +0 28.62599900 +0 2.54100000 +0 -0.3054 C( 967 ARG 125) -8.48400000 +0 28.06399900 +0 1.14500000 +0 -0.1112 N( 968 ARG 125) -7.14800000 +0 28.33400000 +0 0.60900000 +0 -0.4094 C( 969 ARG 125) -6.00200000 +0 27.91300000 +0 1.14700000 +0 0.5346 N( 970 ARG 125) -5.89700000 +0 27.71900000 +0 2.45500000 +0 -0.5036 N( 971 ARG 125) -4.94700000 +0 27.71100000 +0 0.37900000 +0 -0.5085 N( 972 GLY*126) -11.66900000 +0 25.77300100 +0 1.87300000 +0 -0.3893 C( 973 GLY*126) -11.71700000 +0 24.75700000 +0 0.84200000 +0 -0.2719 C( 974 GLY*126) -11.93800000 +0 23.34800000 +0 1.33700000 +0 0.5725 O( 975 GLY*126) -12.17700000 +0 22.43700000 +0 0.53500000 +0 -0.5959 N( 976 CYS*127) -11.86900000 +0 23.14300000 +0 2.64300000 +0 -0.4116 C( 977 CYS*127) -12.04400000 +0 21.79999900 +0 3.17900000 +0 -0.0568 C( 978 CYS*127) -13.49700000 +0 21.41400000 +0 3.37100000 +0 0.5473 O( 979 CYS*127) -14.33300000 +0 22.25300000 +0 3.67600000 +0 -0.5862 C( 980 CYS 127) -11.31000000 +0 21.64900000 +0 4.51000000 +0 -0.3530 S( 981 CYS 127) -9.58900000 +0 22.22699900 +0 4.51300000 +0 -0.0308 N( 982 ARG*128) -13.79000000 +0 20.13299900 +0 3.20000000 +0 -0.4274 C( 983 ARG*128) -15.13600000 +0 19.62200000 +0 3.39700000 +0 -0.0558 C( 984 ARG*128) -15.08000000 +0 19.06800100 +0 4.81900000 +0 0.5390 O( 985 ARG*128) -14.47200000 +0 18.01899900 +0 5.04300000 +0 -0.6627 C( 986 ARG 128) -15.40900000 +0 18.52100000 +0 2.36800000 +0 -0.2745 C( 987 ARG 128) -16.81200000 +0 17.92200100 +0 2.42800000 +0 -0.3026 C( 988 ARG 128) -17.12500000 +0 17.11000100 +0 1.17800000 +0 -0.1305 N( 989 ARG 128) -15.98700000 +0 16.29600000 +0 0.75700000 +0 -0.3697 C( 990 ARG 128) -15.52300000 +0 16.24200100 +0 -0.49100000 +0 0.5170 N( 991 ARG 128) -16.10400000 +0 16.95200000 +0 -1.45600000 +0 -0.4896 N( 992 ARG 128) -14.46100000 +0 15.49100000 +0 -0.77100000 +0 -0.5047 N( 993 LEU*129) -15.64900000 +0 19.79600000 +0 5.78100000 +0 -0.3827 C( 994 LEU*129) -15.59800000 +0 19.39100100 +0 7.19600000 +0 -0.1153 C( 995 LEU*129) -16.82700000 +0 18.71600000 +0 7.82300000 +0 0.6855 O( 996 LEU*129) -16.79500000 +0 17.48000000 +0 7.97800000 +0 -0.7270 C( 997 LEU 129) -15.17000000 +0 20.56699900 +0 8.08500000 +0 -0.3324 C( 998 LEU 129) -13.70400000 +0 20.98600000 +0 8.22300000 +0 0.0395 C( 999 LEU 129) -12.81000000 +0 19.77599900 +0 8.17900000 +0 -0.5114 C( 1000 LEU 129) -13.33000000 +0 21.96299900 +0 7.14700000 +0 -0.5179 O( 1001 LEU 129) -17.78000100 +0 19.42000000 +0 8.23600000 +0 -0.7529 Cl( 1002 Cl ) -8.20900000 +0 31.41200100 +0 26.22500000 +0 -0.8450 Na( 1003 Na ) 7.95100000 +0 14.39400000 +0 31.64100100 +0 0.4436 O( 1004 HOH 130) 13.93900000 +0 14.95500000 +0 26.58099900 +0 -0.7142 O( 1005 HOH 131) 11.58800000 +0 11.85400000 +0 32.75700000 +0 -0.6788 O( 1006 HOH 132) 11.54800000 +0 13.30000000 +0 14.90200000 +0 -0.6393 O( 1007 HOH 133) 9.65500000 +0 13.01200000 +0 30.72900000 +0 -0.6203 O( 1008 HOH 134) 0.89300000 +0 36.06100100 +0 15.13500000 +0 -0.6737 O( 1009 HOH 135) -1.19700000 +0 11.08600000 +0 19.10000000 +0 -0.6825 O( 1010 HOH 136) -0.51000000 +0 11.91900000 +0 16.67900100 +0 -0.6869 O( 1011 HOH 137) 3.85000000 +0 21.55400100 +0 25.23700000 +0 -0.6937 O( 1012 HOH 138) -5.50100000 +0 19.64500000 +0 1.99400000 +0 -0.6650 O( 1013 HOH 139) -10.70900000 +0 31.42100000 +0 23.76300000 +0 -0.6722 O( 1014 HOH 140) 1.65700000 +0 16.51000000 +0 19.60899900 +0 -0.6768 O( 1015 HOH 141) -11.12500000 +0 28.84400000 +0 11.77500000 +0 -0.6632 O( 1016 HOH 142) 7.83900000 +0 12.60300000 +0 32.87699900 +0 -0.6569 O( 1017 HOH 143) 5.73000000 +0 10.92900000 +0 9.45900000 +0 -0.6981 O( 1018 HOH 144) 9.17800000 +0 22.60199900 +0 18.80500000 +0 -0.7097 O( 1019 HOH 145) 8.02300000 +0 27.94100000 +0 8.33500000 +0 -0.6638 O( 1020 HOH 146) 10.30500000 +0 6.10800000 +0 30.99300000 +0 -0.7014 O( 1021 HOH 147) -2.01600000 +0 26.92799900 +0 28.23700000 +0 -0.6732 O( 1022 HOH 148) -3.14500000 +0 8.40300000 +0 19.51499900 +0 -0.6982 O( 1023 HOH 149) -4.16400000 +0 13.02000000 +0 28.09300000 +0 -0.7301 O( 1024 HOH 150) 7.69000000 +0 24.79900000 +0 19.72400100 +0 -0.7286 O( 1025 HOH 151) 2.70800000 +0 23.60899900 +0 24.10400000 +0 -0.6758 O( 1026 HOH 152) 1.73100000 +0 33.49599800 +0 9.66700000 +0 -0.6680 O( 1027 HOH 153) 1.09600000 +0 13.96200000 +0 16.84800000 +0 -0.6976 O( 1028 HOH 154) -8.86800000 +0 13.00000000 +0 8.24100000 +0 -0.6822 O( 1029 HOH 155) -2.71600000 +0 32.29299900 +0 9.50600000 +0 -0.7358 O( 1030 HOH 156) 5.56100000 +0 26.05500000 +0 22.48700000 +0 -0.6816 O( 1031 HOH 157) -6.12400000 +0 33.67200100 +0 16.82000000 +0 -0.6805 O( 1032 HOH 158) 2.73800000 +0 10.29600000 +0 5.58400000 +0 -0.6530 O( 1033 HOH 159) 4.39600000 +0 32.87099800 +0 9.81600000 +0 -0.6954 O( 1034 HOH 160) -9.34600000 +0 33.01200100 +0 15.86500000 +0 -0.6822 O( 1035 HOH 161) -3.15800000 +0 12.03600000 +0 25.91200100 +0 -0.6722 O( 1036 HOH 162) -6.47900000 +0 10.31100000 +0 13.78900000 +0 -0.6539 O( 1037 HOH 163) 18.75000000 +0 10.31800000 +0 25.31200000 +0 -0.6581 O( 1038 HOH 164) -14.60600000 +0 19.86300100 +0 16.64600000 +0 -0.6938 O( 1039 HOH 165) 3.42800000 +0 19.75000000 +0 4.96100000 +0 -0.6754 O( 1040 HOH 166) 16.25700000 +0 18.84600100 +0 18.04100000 +0 -0.6533 O( 1041 HOH 167) 3.50300000 +0 7.43400000 +0 10.76600000 +0 -0.6725 O( 1042 HOH 168) -14.58200000 +0 31.96699900 +0 20.44700100 +0 -0.6632 O( 1043 HOH 169) 1.05000000 +0 18.23000000 +0 4.18200000 +0 -0.6812 O( 1044 HOH 170) -0.04200000 +0 38.19400000 +0 21.93899900 +0 -0.6758 O( 1045 HOH 171) 5.85600000 +0 23.33300000 +0 22.64399900 +0 -0.7037 O( 1046 HOH 172) -3.48200000 +0 39.11600100 +0 18.23700000 +0 -0.6828 O( 1047 HOH 173) 8.33200000 +0 17.90900000 +0 10.55800000 +0 -0.6867 O( 1048 HOH 174) -0.73000000 +0 6.92400000 +0 20.10500000 +0 -0.6865 O( 1049 HOH 175) -5.80600000 +0 17.09800000 +0 2.97800000 +0 -0.6461 O( 1050 HOH 176) -0.11400000 +0 32.38000100 +0 7.98500000 +0 -0.7142 O( 1051 HOH 177) -14.39200000 +0 24.48200000 +0 5.34500000 +0 -0.6617 O( 1052 HOH 178) 3.10800000 +0 28.18199900 +0 5.56300000 +0 -0.6638 O( 1053 HOH 179) -0.54500000 +0 23.71299900 +0 4.07900000 +0 -0.6447 O( 1054 HOH 180) -11.62100000 +0 17.88500000 +0 5.42600000 +0 -0.6936 O( 1055 HOH 181) 5.77700000 +0 24.67700000 +0 8.55200000 +0 -0.6726 O( 1056 HOH 182) -4.03000000 +0 33.19200100 +0 7.24900000 +0 -0.6775 O( 1057 HOH 183) -6.94800000 +0 35.20900000 +0 14.83100000 +0 -0.6866 O( 1058 HOH 184) 7.49900000 +0 4.20300000 +0 24.33499900 +0 -0.6320 O( 1059 HOH 185) 10.49000000 +0 12.88200000 +0 35.35100200 +0 -0.6684 O( 1060 HOH 186) -14.68400000 +0 15.13800000 +0 10.93000000 +0 -0.6566 O( 1061 HOH 187) -8.32400000 +0 15.54700000 +0 27.45599900 +0 -0.6874 O( 1062 HOH 188) -1.17800000 +0 20.64699900 +0 3.07000000 +0 -0.6637 O( 1063 HOH 189) 17.54200000 +0 8.15200000 +0 30.15300000 +0 -0.6470 O( 1064 HOH 190) -3.75100000 +0 33.65700100 +0 31.14699900 +0 -0.6569 O( 1065 HOH 191) 14.88300000 +0 25.53400000 +0 22.93199900 +0 -0.6440 O( 1066 HOH 192) 0.34700000 +0 26.88600000 +0 30.00499900 +0 -0.6991 O( 1067 HOH 193) -5.10700000 +0 9.90700000 +0 25.22699900 +0 -0.6490 O( 1068 HOH 194) -1.03900000 +0 38.87599900 +0 14.59500000 +0 -0.6722 O( 1069 HOH 195) -10.28300000 +0 10.00100000 +0 23.32700000 +0 -0.6465 O( 1070 HOH 196) 14.11700000 +0 24.80400100 +0 27.08900100 +0 -0.6521 O( 1071 HOH 197) -10.73400000 +0 19.00799900 +0 0.67900000 +0 -0.6445 O( 1072 HOH 198) 7.66900000 +0 26.06900000 +0 15.45500000 +0 -0.6888 O( 1073 HOH 199) 4.37300000 +0 37.96600000 +0 18.78300100 +0 -0.6595 O( 1074 HOH 200) -0.73400000 +0 39.31499900 +0 18.48000000 +0 -0.6697 O( 1075 HOH 201) -3.69100000 +0 37.44500000 +0 8.62100000 +0 -0.6513 O( 1076 HOH 202) 9.48600000 +0 19.89900000 +0 6.63600000 +0 -0.6550 O( 1077 HOH 203) -13.84200000 +0 16.84900100 +0 23.86599900 +0 -0.6895 O( 1078 HOH 204) -7.96300000 +0 6.35300000 +0 18.87299900 +0 -0.6899 O( 1079 HOH 205) 17.42000000 +0 16.07700000 +0 30.45900000 +0 -0.6558 O( 1080 HOH 206) 4.31400000 +0 23.60000000 +0 28.00200100 +0 -0.6934 O( 1081 HOH 207) 8.24900000 +0 22.23200000 +0 11.60300000 +0 -0.6885 O( 1082 HOH 208) 7.78600000 +0 4.32700000 +0 30.06600000 +0 -0.6650 O( 1083 HOH 209) -0.68300000 +0 36.72800100 +0 25.54700100 +0 -0.6667 O( 1084 HOH 210) 14.12000000 +0 7.21700000 +0 33.53799800 +0 -0.6592 O( 1085 HOH 211) -17.35000000 +0 22.00900100 +0 4.69300000 +0 -0.6517 O( 1086 HOH 212) -15.40600000 +0 22.17799900 +0 21.18700000 +0 -0.6718 O( 1087 HOH 213) -7.79300000 +0 19.67900100 +0 31.95200000 +0 -0.6893 O( 1088 HOH 214) 10.27300000 +0 23.31500100 +0 29.50000000 +0 -0.6860 O( 1089 HOH 215) 1.47600000 +0 37.71799900 +0 18.51499900 +0 -0.6942 O( 1090 HOH 216) 8.50500000 +0 23.72600000 +0 23.88200000 +0 -0.7084 O( 1091 HOH 217) 4.46400000 +0 5.91200000 +0 17.99600000 +0 -0.6476 O( 1092 HOH 218) 1.07700000 +0 6.90400000 +0 7.84700000 +0 -0.6498 O( 1093 HOH 219) 0.74300000 +0 11.66700000 +0 35.76499900 +0 -0.6879 O( 1094 HOH 220) -14.63200000 +0 23.78800000 +0 25.28200000 +0 -0.6647 O( 1095 HOH 221) 12.25400000 +0 25.16300000 +0 31.34199900 +0 -0.6573 O( 1096 HOH 222) 9.15200000 +0 23.58499900 +0 15.77700000 +0 -0.6677 O( 1097 HOH 223) -7.19000000 +0 28.56900000 +0 29.05299900 +0 -0.6789 O( 1098 HOH 224) 2.60900000 +0 7.31100000 +0 31.28500000 +0 -0.6618 O( 1099 HOH 225) -4.17400000 +0 9.44600000 +0 10.75700000 +0 -0.6758 O( 1100 HOH 226) -8.75300000 +0 8.55700000 +0 14.97000000 +0 -0.6656 O( 1101 HOH 227) -5.78000000 +0 21.64900000 +0 32.48700000 +0 -0.6939 O( 1102 HOH 228) 5.67300000 +0 6.42300000 +0 30.24399900 +0 -0.6663 O( 1103 HOH 229) -6.79800000 +0 10.75300000 +0 8.03500000 +0 -0.7025 O( 1104 HOH 230) 8.84700000 +0 20.58000000 +0 13.78600000 +0 -0.7036 O( 1105 HOH 231) 6.88900000 +0 23.99700000 +0 26.05100100 +0 -0.6860 O( 1106 HOH 232) 5.09100000 +0 9.23300000 +0 34.69800200 +0 -0.6725 O( 1107 HOH 233) 4.51000000 +0 26.03500000 +0 26.71800000 +0 -0.6896 O( 1108 HOH 234) -3.02900000 +0 7.82800000 +0 6.56600000 +0 -0.6489 O( 1109 HOH 235) -3.74300000 +0 9.22900000 +0 29.61200000 +0 -0.6723 O( 1110 HOH 236) 4.16100000 +0 4.50800000 +0 22.21200000 +0 -0.6723 O( 1111 HOH 237) 1.96500000 +0 4.69300000 +0 20.55500000 +0 -0.6833 O( 1112 HOH 238) -2.08300000 +0 5.05400000 +0 18.45800000 +0 -0.6533 O( 1113 HOH 239) -11.49000000 +0 31.95900000 +0 13.03400000 +0 -0.6680 O( 1114 HOH 240) -9.87100000 +0 33.84899900 +0 10.72400000 +0 -0.7204 O( 1115 HOH 241) 1.54100000 +0 4.98900000 +0 14.70900000 +0 -0.6692 O( 1116 HOH 242) -14.60600000 +0 28.77899900 +0 19.38699900 +0 -0.7084 O( 1117 HOH 243) -12.29200000 +0 32.89799900 +0 15.83100000 +0 -0.6589 O( 1118 HOH 244) -3.35600000 +0 22.88699900 +0 1.36800000 +0 -0.6592 O( 1119 HOH 245) -12.45200000 +0 12.71100000 +0 20.58799900 +0 -0.6542 O( 1120 HOH 246) -18.90500100 +0 18.27800000 +0 -0.54500000 +0 -0.6604 O( 1121 HOH 247) -19.52400000 +0 18.64200000 +0 22.63699900 +0 -0.6343 O( 1122 HOH 248) 1.60400000 +0 31.07700000 +0 6.18000000 +0 -0.6879 O( 1123 HOH 249) -2.59800000 +0 27.13100100 +0 3.31500000 +0 -0.6653 O( 1124 HOH 250) -9.15600000 +0 19.46900000 +0 29.65500100 +0 -0.6837 O( 1125 HOH 251) -12.56200000 +0 17.70000100 +0 27.00499900 +0 -0.6614 O( 1126 HOH 252) -15.78700000 +0 9.46100000 +0 15.60000000 +0 -0.6870 O( 1127 HOH 253) -17.38200000 +0 11.85500000 +0 16.38100100 +0 -0.6548 O( 1128 HOH 254) -15.09500000 +0 18.34199900 +0 25.72200000 +0 -0.6533 O( 1129 HOH 255) -4.79900000 +0 11.88900000 +0 30.99300000 +0 -0.6772 O( 1130 HOH 256) -10.94900000 +0 10.52100000 +0 20.39900000 +0 -0.6820 O( 1131 HOH 257) -10.13700000 +0 7.94600000 +0 18.99000000 +0 -0.6895 O( 1132 HOH 258) -16.37000100 +0 16.19800000 +0 5.68200000 +0 -0.6940 O( 1133 HOH 259) -0.40300000 +0 22.13600000 +0 34.74000200 +0 -0.7094 O( 1134 HOH 260) 2.58600000 +0 14.51700000 +0 36.88900000 +0 -0.6596 O( 1135 HOH 261) 10.41600000 +0 5.82400000 +0 33.61200000 +0 -0.6599 O( 1136 HOH 262) -1.50300000 +0 6.10100000 +0 22.45700100 +0 -0.6744 O( 1137 HOH 263) -10.36800000 +0 29.84000000 +0 27.28200000 +0 -0.6932 O( 1138 HOH 264) 6.76500000 +0 11.66900000 +0 35.28099800 +0 -0.6823 O( 1139 HOH 265) 10.62400000 +0 8.50100000 +0 33.72800100 +0 -0.6700 O( 1140 HOH 266) -2.60200000 +0 41.29800000 +0 13.92000000 +0 -0.6498 O( 1141 HOH 267) -15.59700000 +0 21.05800100 +0 24.24000000 +0 -0.6723 O( 1142 HOH 268) -9.80100000 +0 27.35899900 +0 30.08000000 +0 -0.6876 O( 1143 HOH 269) 18.45999900 +0 15.27400000 +0 22.10500000 +0 -0.6308 O( 1144 HOH 270) 12.66000000 +0 12.66000000 +0 37.77000000 +0 -0.6538 O( 1145 HOH 271) 14.52000000 +0 14.52000000 +0 18.88500000 +0 -0.6629 H( 1146 LYS* 1) 4.33755729 +1 10.02623748 +1 10.01350361 +1 0.2886 H( 1147 LYS* 1) 3.07826219 +1 9.15425054 +1 10.76463813 +1 0.2913 H( 1148 LYS* 1) 3.26525863 +1 10.82184155 +1 11.09056213 +1 0.3068 H( 1149 LYS* 1) 2.78745853 +1 9.87648781 +1 8.27055280 +1 0.2022 H( 1150 LYS 1) 0.99451063 +1 8.82476810 +1 9.50149740 +1 0.1716 H( 1151 LYS 1) 0.72295008 +1 10.25860255 +1 10.54138305 +1 0.1638 H( 1152 LYS 1) 0.23503304 +1 10.17087077 +1 7.49766707 +1 0.1534 H( 1153 LYS 1) -0.07311543 +1 11.56122968 +1 8.54892405 +1 0.1597 H( 1154 LYS 1) -1.43650363 +1 8.80466357 +1 8.73798555 +1 0.1560 H( 1155 LYS 1) -1.67530463 +1 10.09740101 +1 9.93511650 +1 0.1579 H( 1156 LYS 1) -2.13336098 +1 10.54444969 +1 6.89216280 +1 0.1903 H( 1157 LYS 1) -2.55945422 +1 11.65511881 +1 8.21085075 +1 0.1904 H( 1158 LYS 1) -3.76000114 +1 8.90821929 +1 7.81070749 +1 0.2703 H( 1159 LYS 1) -4.47755891 +1 10.41479385 +1 7.40821653 +1 0.3165 H( 1160 LYS 1) -4.18254791 +1 9.98386570 +1 9.04662634 +1 0.2823 H( 1161 VAL* 2) 2.46895583 +1 11.66523327 +1 6.87946017 +1 0.3206 H( 1162 VAL* 2) 2.62731379 +1 14.37153465 +1 8.26469892 +1 0.2043 H( 1163 VAL 2) 3.29853420 +1 13.48605444 +1 5.35243938 +1 0.1362 H( 1164 VAL 2) 4.00448488 +1 15.87194678 +1 5.06389035 +1 0.1682 H( 1165 VAL 2) 2.28369141 +1 15.79970057 +1 5.45963936 +1 0.1604 H( 1166 VAL 2) 3.45903101 +1 16.28480237 +1 6.69110250 +1 0.1694 H( 1167 VAL 2) 5.62622545 +1 14.22169853 +1 6.05998930 +1 0.1711 H( 1168 VAL 2) 5.06858651 +1 12.86171273 +1 7.03421445 +1 0.1365 H( 1169 VAL 2) 5.05820780 +1 14.50068281 +1 7.70473821 +1 0.1552 H( 1170 PHE* 3) 0.61078226 +1 15.32844357 +1 8.38055502 +1 0.3251 H( 1171 PHE* 3) -1.61817386 +1 14.05578112 +1 6.85586645 +1 0.2133 H( 1172 PHE 3) -1.28417777 +1 16.21810613 +1 9.05672805 +1 0.1744 H( 1173 PHE 3) -2.75928837 +1 16.23322326 +1 8.10634730 +1 0.1826 H( 1174 PHE 3) -0.66841042 +1 14.12941771 +1 10.38758939 +1 0.1683 H( 1175 PHE 3) -4.47031425 +1 14.57128977 +1 8.41503401 +1 0.1627 H( 1176 PHE 3) -1.64769008 +1 12.39260499 +1 11.87520854 +1 0.1543 H( 1177 PHE 3) -5.45282956 +1 12.84040042 +1 9.89731954 +1 0.1555 H( 1178 PHE 3) -4.03144772 +1 11.74202585 +1 11.63940266 +1 0.1459 H( 1179 GLY* 4) -3.07147426 +1 15.19573163 +1 5.50780042 +1 0.3421 H( 1180 GLY* 4) -1.77325349 +1 17.44983292 +1 3.99550740 +1 0.1986 H( 1181 GLY* 4) -3.33504376 +1 16.65658256 +1 3.63243086 +1 0.1730 H( 1182 ARG* 5) -3.00514458 +1 19.61160396 +1 3.94457777 +1 0.3018 H( 1183 ARG* 5) -3.60520390 +1 20.51267572 +1 6.55617938 +1 0.2030 H( 1184 ARG 5) -3.00147736 +1 21.90272023 +1 4.53862230 +1 0.1614 H( 1185 ARG 5) -4.55564398 +1 21.53582624 +1 3.76989418 +1 0.1576 H( 1186 ARG 5) -4.23753768 +1 23.01225734 +1 6.47689034 +1 0.1746 H( 1187 ARG 5) -5.76732550 +1 22.70111653 +1 5.68745034 +1 0.1737 H( 1188 ARG 5) -3.40791676 +1 24.36251215 +1 4.51979568 +1 0.1602 H( 1189 ARG 5) -4.91442013 +1 25.00462610 +1 5.23481910 +1 0.1714 H( 1190 ARG 5) -4.45948528 +1 23.69575421 +1 2.58166980 +1 0.3186 H( 1191 ARG 5) -7.02169302 +1 24.52025107 +1 5.02183056 +1 0.3473 H( 1192 ARG 5) -8.23451363 +1 24.84052686 +1 3.78217287 +1 0.3346 H( 1193 ARG 5) -6.22597510 +1 23.88427738 +1 1.02172778 +1 0.2904 H( 1194 ARG 5) -7.80500699 +1 24.34768996 +1 1.55609700 +1 0.3251 H( 1195 CYS* 6) -6.11244841 +1 19.79375566 +1 3.92081101 +1 0.3197 H( 1196 CYS* 6) -8.25216450 +1 20.20474024 +1 5.88547091 +1 0.2056 H( 1197 CYS 6) -8.21685170 +1 18.76949347 +1 3.09115517 +1 0.1755 H( 1198 CYS 6) -9.66862583 +1 19.09219813 +1 4.04469946 +1 0.2204 H( 1199 GLU* 7) -6.26896324 +1 17.31976243 +1 5.06056847 +1 0.3045 H( 1200 GLU* 7) -8.20380861 +1 15.39709661 +1 6.13796420 +1 0.1997 H( 1201 GLU 7) -5.07465958 +1 15.35300540 +1 6.00440909 +1 0.1630 H( 1202 GLU 7) -6.14109782 +1 14.86876913 +1 4.67635408 +1 0.1425 H( 1203 GLU 7) -6.26659918 +1 13.52431705 +1 7.44875041 +1 0.1781 H( 1204 GLU 7) -7.06907182 +1 12.99967572 +1 5.97976901 +1 0.1870 H( 1205 LEU* 8) -5.46545791 +1 17.41911347 +1 7.51381071 +1 0.3297 H( 1206 LEU* 8) -5.74953673 +1 16.21248142 +1 10.17420968 +1 0.1902 H( 1207 LEU 8) -3.69621250 +1 17.43645846 +1 9.31014289 +1 0.1626 H( 1208 LEU 8) -4.60495107 +1 18.94111024 +1 9.17321330 +1 0.1698 H( 1209 LEU 8) -5.09835964 +1 18.87486743 +1 11.67949236 +1 0.1396 H( 1210 LEU 8) -3.31997087 +1 16.34081880 +1 11.53927158 +1 0.1555 H( 1211 LEU 8) -4.97246426 +1 16.48394222 +1 12.16374648 +1 0.1551 H( 1212 LEU 8) -3.63516693 +1 17.23745691 +1 13.02814087 +1 0.1546 H( 1213 LEU 8) -2.11083040 +1 18.68476145 +1 10.90528096 +1 0.1494 H( 1214 LEU 8) -2.79272587 +1 19.49874555 +1 12.31763116 +1 0.1629 H( 1215 LEU 8) -3.12600042 +1 20.11862555 +1 10.70267084 +1 0.1580 H( 1216 ALA* 9) -7.06127511 +1 19.26157890 +1 8.57499856 +1 0.3231 H( 1217 ALA* 9) -8.41060597 +1 20.29718263 +1 10.84531786 +1 0.1845 H( 1218 ALA 9) -8.24124776 +1 21.41448015 +1 8.54680907 +1 0.1792 H( 1219 ALA 9) -9.38409848 +1 20.23662681 +1 7.86919924 +1 0.1763 H( 1220 ALA 9) -9.91091542 +1 21.36597797 +1 9.13815217 +1 0.1818 H( 1221 ALA* 10) -9.58909662 +1 17.77518052 +1 8.42784336 +1 0.3262 H( 1222 ALA* 10) -12.16765003 +1 17.50415157 +1 9.72466823 +1 0.1766 H( 1223 ALA 10) -10.49950994 +1 15.46283643 +1 8.03886213 +1 0.1885 H( 1224 ALA 10) -12.21822308 +1 15.33684171 +1 8.41209789 +1 0.1887 H( 1225 ALA 10) -11.64600576 +1 16.66100480 +1 7.39440210 +1 0.1637 H( 1226 ALA* 11) -8.96718288 +1 15.75653661 +1 10.22963942 +1 0.3214 H( 1227 ALA* 11) -10.12178635 +1 13.84900437 +1 12.09300077 +1 0.1693 H( 1228 ALA 11) -7.22952646 +1 14.98996372 +1 11.82937745 +1 0.1768 H( 1229 ALA 11) -7.69808500 +1 13.55316301 +1 12.75353010 +1 0.1873 H( 1230 ALA 11) -7.86409086 +1 13.56172713 +1 10.98627154 +1 0.1709 H( 1231 MET* 12) -8.69686704 +1 17.20267586 +1 12.53125376 +1 0.3312 H( 1232 MET* 12) -8.74580848 +1 16.96146922 +1 15.44721644 +1 0.1887 H( 1233 MET 12) -8.70170852 +1 19.32784107 +1 13.41493649 +1 0.1751 H( 1234 MET 12) -8.71190306 +1 19.57501951 +1 15.16581834 +1 0.1713 H( 1235 MET 12) -6.60549819 +1 17.93113293 +1 13.60835946 +1 0.1823 H( 1236 MET 12) -6.61866630 +1 18.13733486 +1 15.37310278 +1 0.1580 H( 1237 MET 12) -3.92402011 +1 20.75873277 +1 15.17543556 +1 0.1993 H( 1238 MET 12) -3.96409783 +1 19.01007627 +1 14.83291597 +1 0.1680 H( 1239 MET 12) -4.80174923 +1 19.66855881 +1 16.26664546 +1 0.1730 H( 1240 LYS* 13) -11.07427208 +1 18.16197015 +1 12.92817150 +1 0.3285 H( 1241 LYS* 13) -12.95382720 +1 19.27121100 +1 14.83627639 +1 0.1964 H( 1242 LYS 13) -12.86744741 +1 19.62731353 +1 12.32342447 +1 0.1733 H( 1243 LYS 13) -13.34492459 +1 17.95381082 +1 12.03226282 +1 0.1618 H( 1244 LYS 13) -15.13641492 +1 19.73450552 +1 13.78603625 +1 0.1680 H( 1245 LYS 13) -15.57030491 +1 18.28120902 +1 12.88289755 +1 0.1372 H( 1246 LYS 13) -14.65730434 +1 20.99944292 +1 11.68981942 +1 0.1798 H( 1247 LYS 13) -14.99012865 +1 19.58921453 +1 10.68141193 +1 0.1577 H( 1248 LYS 13) -16.88980374 +1 21.39101778 +1 10.99716269 +1 0.2031 H( 1249 LYS 13) -17.05732999 +1 20.81731473 +1 12.65912394 +1 0.2038 H( 1250 LYS 13) -17.20628857 +1 18.44221574 +1 11.40281607 +1 0.2516 H( 1251 LYS 13) -18.54747215 +1 19.43131742 +1 11.49971270 +1 0.2528 H( 1252 LYS 13) -17.66700448 +1 19.37842130 +1 10.03822996 +1 0.3366 H( 1253 ARG* 14) -12.60136606 +1 15.95473092 +1 13.32863110 +1 0.3254 H( 1254 ARG* 14) -14.96138062 +1 14.87020322 +1 14.57768108 +1 0.1902 H( 1255 ARG 14) -12.45230845 +1 13.16922821 +1 14.20854320 +1 0.1688 H( 1256 ARG 14) -12.98877353 +1 14.01699210 +1 12.76052669 +1 0.1717 H( 1257 ARG 14) -14.75990271 +1 12.65675504 +1 12.40217187 +1 0.1698 H( 1258 ARG 14) -15.38102270 +1 12.83701081 +1 14.03345867 +1 0.1820 H( 1259 ARG 14) -14.11539217 +1 11.08442113 +1 14.96655371 +1 0.1764 H( 1260 ARG 14) -14.76961227 +1 10.45158078 +1 13.42470153 +1 0.1705 H( 1261 ARG 14) -12.27337169 +1 11.44240982 +1 12.68258896 +1 0.2996 H( 1262 ARG 14) -12.09914421 +1 8.17303495 +1 15.15784256 +1 0.2991 H( 1263 ARG 14) -13.58378383 +1 9.03501674 +1 15.01141681 +1 0.3339 H( 1264 ARG 14) -10.17962501 +1 8.81353896 +1 13.90988596 +1 0.3248 H( 1265 ARG 14) -10.20851823 +1 10.27206283 +1 13.00586411 +1 0.2935 H( 1266 HIS* 15) -11.51541367 +1 15.27403570 +1 15.75855033 +1 0.3267 H( 1267 HIS* 15) -12.26722119 +1 13.86782307 +1 18.25420272 +1 0.2119 H( 1268 HIS 15) -9.76485766 +1 15.28912828 +1 17.10143725 +1 0.1808 H( 1269 HIS 15) -9.84801714 +1 14.87612523 +1 18.83018760 +1 0.1752 H( 1270 HIS 15) -9.95258131 +1 11.94622755 +1 19.33630598 +1 0.2112 H( 1271 HIS 15) -8.91667299 +1 10.92729024 +1 15.35697121 +1 0.1804 H( 1272 HIS 15) -9.14657136 +1 10.11928495 +1 17.83901749 +1 0.2889 H( 1273 GLY* 16) -13.44893163 +1 16.77335598 +1 17.33534884 +1 0.3283 H( 1274 GLY* 16) -13.92769408 +1 17.40952463 +1 20.16207264 +1 0.1896 H( 1275 GLY* 16) -14.64363614 +1 18.15029448 +1 18.71716870 +1 0.1952 H( 1276 LEU* 17) -11.64395175 +1 18.76620818 +1 17.74487004 +1 0.3220 H( 1277 LEU* 17) -10.97521004 +1 20.77601512 +1 19.85004858 +1 0.1935 H( 1278 LEU 17) -9.22961844 +1 21.37900292 +1 17.97307642 +1 0.1828 H( 1279 LEU 17) -9.76018991 +1 19.91539311 +1 17.12730757 +1 0.1494 H( 1280 LEU 17) -9.06072849 +1 18.48448456 +1 19.03396651 +1 0.1129 H( 1281 LEU 17) -6.58923933 +1 19.03113097 +1 18.87469049 +1 0.1462 H( 1282 LEU 17) -7.36480109 +1 19.19184613 +1 17.29105328 +1 0.1437 H( 1283 LEU 17) -6.96244370 +1 20.63074492 +1 18.24030249 +1 0.1764 H( 1284 LEU 17) -7.91551119 +1 19.53672508 +1 21.01747410 +1 0.1500 H( 1285 LEU 17) -9.57607305 +1 20.14452948 +1 20.89630691 +1 0.1488 H( 1286 LEU 17) -8.21902464 +1 21.14785506 +1 20.37857345 +1 0.1796 H( 1287 ASP* 18) -13.10825380 +1 20.85242990 +1 16.99420667 +1 0.3210 H( 1288 ASP* 18) -12.39153728 +1 23.60888739 +1 16.27891061 +1 0.1617 H( 1289 ASP 18) -13.68871453 +1 22.02545776 +1 14.76453662 +1 0.1620 H( 1290 ASP 18) -15.06499821 +1 22.09806663 +1 15.86667419 +1 0.1904 H( 1291 ASN* 19) -12.58801711 +1 25.25425122 +1 17.66503483 +1 0.3132 H( 1292 ASN* 19) -13.51312819 +1 26.78325569 +1 19.06109983 +1 0.2079 H( 1293 ASN 19) -15.87724274 +1 26.76796518 +1 19.60962485 +1 0.2277 H( 1294 ASN 19) -16.10846690 +1 25.08936085 +1 19.08961235 +1 0.1923 H( 1295 ASN 19) -16.50750500 +1 25.94375219 +1 15.63799561 +1 0.3024 H( 1296 ASN 19) -16.69304727 +1 24.78066831 +1 16.87141262 +1 0.2777 H( 1297 TYR* 20) -12.20237351 +1 24.03447709 +1 19.94743960 +1 0.3230 H( 1298 TYR* 20) -13.50576075 +1 23.51314353 +1 22.53663307 +1 0.1882 H( 1299 TYR 20) -10.59677970 +1 22.96227014 +1 21.57128454 +1 0.1730 H( 1300 TYR 20) -11.97257061 +1 21.88709944 +1 21.26571942 +1 0.1833 H( 1301 TYR 20) -13.20544513 +1 20.81267099 +1 23.19785401 +1 0.1792 H( 1302 TYR 20) -9.61973373 +1 23.11243528 +1 23.82327188 +1 0.1618 H( 1303 TYR 20) -13.00567759 +1 19.88748081 +1 25.47485284 +1 0.1796 H( 1304 TYR 20) -9.40400567 +1 22.17009037 +1 26.09426791 +1 0.1808 H( 1305 TYR 20) -10.22044800 +1 20.71014098 +1 27.63260450 +1 0.3568 H( 1306 ARG* 21) -13.27050608 +1 24.80288548 +1 24.33845047 +1 0.3192 H( 1307 ARG* 21) -12.74682702 +1 26.56795142 +1 25.65115205 +1 0.1663 H( 1308 ARG 21) -9.90393893 +1 26.12572891 +1 24.48382494 +1 0.1759 H( 1309 ARG 21) -10.26900032 +1 27.25585718 +1 25.78059283 +1 0.1987 H( 1310 ARG 21) -9.39725097 +1 24.98529400 +1 26.55633616 +1 0.1572 H( 1311 ARG 21) -10.83492828 +1 24.21788821 +1 25.85580712 +1 0.1535 H( 1312 ARG 21) -10.65282503 +1 26.14702990 +1 28.24737230 +1 0.1757 H( 1313 ARG 21) -12.20594066 +1 25.98731644 +1 27.37515889 +1 0.1649 H( 1314 ARG 21) -11.71514849 +1 23.38314086 +1 27.66758008 +1 0.2994 H( 1315 ARG 21) -10.93195510 +1 25.98329888 +1 30.06085678 +1 0.3532 H( 1316 ARG 21) -11.39903166 +1 25.02666304 +1 31.42242314 +1 0.3016 H( 1317 ARG 21) -12.03653408 +1 22.71942455 +1 31.12345123 +1 0.2987 H( 1318 ARG 21) -12.13113508 +1 22.05543736 +1 29.54845942 +1 0.2970 H( 1319 GLY* 22) -13.64038725 +1 27.05856614 +1 22.77952818 +1 0.3201 H( 1320 GLY* 22) -13.02484180 +1 29.94952339 +1 22.82801627 +1 0.2204 H( 1321 GLY* 22) -14.18778171 +1 29.04745242 +1 21.77870056 +1 0.2089 H( 1322 TYR* 23) -11.25669277 +1 27.31938362 +1 21.35157534 +1 0.3204 H( 1323 TYR* 23) -10.25334469 +1 29.37629285 +1 19.43229843 +1 0.1904 H( 1324 TYR 23) -8.39461919 +1 27.58414595 +1 19.14485515 +1 0.1534 H( 1325 TYR 23) -9.16078690 +1 26.65598031 +1 20.43107664 +1 0.1687 H( 1326 TYR 23) -7.43084238 +1 29.86448115 +1 19.64033783 +1 0.1326 H( 1327 TYR 23) -9.13406222 +1 27.44876649 +1 22.76778642 +1 0.1533 H( 1328 TYR 23) -6.28899090 +1 31.24641929 +1 21.33673788 +1 0.1729 H( 1329 TYR 23) -8.00117495 +1 28.86720401 +1 24.46230927 +1 0.1833 H( 1330 TYR 23) -7.06218952 +1 31.10831483 +1 24.81901264 +1 0.4270 H( 1331 SER* 24) -11.16953950 +1 29.34186815 +1 17.42612893 +1 0.3006 H( 1332 SER* 24) -12.71644050 +1 27.16464020 +1 16.41146162 +1 0.2223 H( 1333 SER 24) -12.52459444 +1 28.39063949 +1 14.23674560 +1 0.1434 H( 1334 SER 24) -12.97498233 +1 29.45100823 +1 15.61168775 +1 0.1570 H( 1335 SER 24) -11.34808933 +1 30.57729872 +1 14.57500949 +1 0.3533 H( 1336 LEU* 25) -12.29429871 +1 25.71381167 +1 14.65590449 +1 0.3659 H( 1337 LEU* 25) -10.00643685 +1 24.18491616 +1 14.82088652 +1 0.1814 H( 1338 LEU 25) -11.46961288 +1 24.76953595 +1 12.15345822 +1 0.1536 H( 1339 LEU 25) -12.30964514 +1 24.03803060 +1 13.50289321 +1 0.1972 H( 1340 LEU 25) -9.87173979 +1 22.84188280 +1 12.03072647 +1 0.1104 H( 1341 LEU 25) -9.75858429 +1 22.21712302 +1 14.41715262 +1 0.1581 H( 1342 LEU 25) -10.38901653 +1 20.83480568 +1 13.51573528 +1 0.1544 H( 1343 LEU 25) -11.48334763 +1 21.83733848 +1 14.47132876 +1 0.1657 H( 1344 LEU 25) -11.64262445 +1 21.13354405 +1 11.40148981 +1 0.1612 H( 1345 LEU 25) -12.88040073 +1 22.11811051 +1 12.20240900 +1 0.1640 H( 1346 LEU 25) -12.04430793 +1 22.74636116 +1 10.78423274 +1 0.1498 H( 1347 GLY* 26) -10.21179875 +1 27.15703704 +1 12.63492106 +1 0.3248 H( 1348 GLY* 26) -7.85113074 +1 26.54469084 +1 11.15050833 +1 0.1825 H( 1349 GLY* 26) -8.48974009 +1 28.17242498 +1 11.48611646 +1 0.2244 H( 1350 ASN* 27) -8.21826470 +1 27.75967192 +1 14.56383821 +1 0.3315 H( 1351 ASN* 27) -5.47516493 +1 28.79185965 +1 14.69656741 +1 0.1900 H( 1352 ASN 27) -5.96251950 +1 28.31915118 +1 17.26892636 +1 0.2303 H( 1353 ASN 27) -7.56640294 +1 27.78972542 +1 16.79707086 +1 0.2213 H( 1354 ASN 27) -8.77968176 +1 31.13594482 +1 16.30031270 +1 0.3138 H( 1355 ASN 27) -9.14633045 +1 29.45048281 +1 16.17519378 +1 0.3034 H( 1356 TRP* 28) -7.07787700 +1 25.59443218 +1 15.47284524 +1 0.3196 H( 1357 TRP* 28) -4.63958927 +1 24.44904104 +1 16.55485661 +1 0.1960 H( 1358 TRP 28) -5.94409327 +1 22.30004998 +1 16.19928913 +1 0.1692 H( 1359 TRP 28) -7.19010620 +1 23.17012818 +1 15.29462886 +1 0.1663 H( 1360 TRP 28) -9.06221878 +1 24.47579602 +1 16.80087220 +1 0.1750 H( 1361 TRP 28) -9.47273297 +1 24.74108071 +1 19.24936834 +1 0.3073 H( 1362 TRP 28) -4.54155141 +1 22.66813853 +1 18.49811437 +1 0.1366 H( 1363 TRP 28) -8.05201206 +1 24.33426299 +1 21.67689739 +1 0.1662 H( 1364 TRP 28) -4.14636395 +1 22.65536993 +1 20.96426249 +1 0.1474 H( 1365 TRP 28) -5.86743320 +1 23.45626934 +1 22.52233846 +1 0.1472 H( 1366 VAL* 29) -6.12421941 +1 24.46158605 +1 13.20587645 +1 0.3298 H( 1367 VAL* 29) -4.10374492 +1 22.60199308 +1 12.20827373 +1 0.1909 H( 1368 VAL 29) -5.84700614 +1 24.76553682 +1 10.78647900 +1 0.1320 H( 1369 VAL 29) -3.82365901 +1 24.10404202 +1 9.41656098 +1 0.1629 H( 1370 VAL 29) -4.23623833 +1 22.39482012 +1 9.60229546 +1 0.1610 H( 1371 VAL 29) -5.32103172 +1 23.46806438 +1 8.70727482 +1 0.1607 H( 1372 VAL 29) -6.24523130 +1 21.73627862 +1 11.31385487 +1 0.1645 H( 1373 VAL 29) -7.22067445 +1 22.68292939 +1 10.17833079 +1 0.1501 H( 1374 VAL 29) -7.25065089 +1 23.06783176 +1 11.90463978 +1 0.1787 H( 1375 CYS* 30) -4.32287189 +1 26.25391017 +1 12.37120863 +1 0.3355 H( 1376 CYS* 30) -1.84222529 +1 26.66462257 +1 10.92632584 +1 0.1928 H( 1377 CYS 30) -3.23221475 +1 28.25994282 +1 13.23285401 +1 0.1965 H( 1378 CYS 30) -3.59946032 +1 28.42867281 +1 11.52156447 +1 0.2072 H( 1379 ALA* 31) -2.54934566 +1 26.12048057 +1 14.51992093 +1 0.3314 H( 1380 ALA* 31) 0.19421640 +1 26.50042737 +1 15.31273709 +1 0.1815 H( 1381 ALA 31) -0.52931400 +1 25.19778504 +1 17.33290796 +1 0.1835 H( 1382 ALA 31) -1.99088618 +1 24.61923143 +1 16.51449493 +1 0.1804 H( 1383 ALA 31) -1.81280924 +1 26.33624752 +1 16.88860636 +1 0.1849 H( 1384 ALA* 32) -1.59746550 +1 23.46358277 +1 14.23336176 +1 0.3321 H( 1385 ALA* 32) 0.71720264 +1 21.75188462 +1 14.65618914 +1 0.2039 H( 1386 ALA 32) -0.53260965 +1 20.19428718 +1 13.22146840 +1 0.1680 H( 1387 ALA 32) -1.71022707 +1 21.01555197 +1 14.25452848 +1 0.1775 H( 1388 ALA 32) -1.57538179 +1 21.49433396 +1 12.55702391 +1 0.1727 H( 1389 LYS* 33) -0.29748881 +1 23.84997255 +1 11.82332671 +1 0.3387 H( 1390 LYS* 33) 1.61142152 +1 22.68932295 +1 9.98841381 +1 0.1661 H( 1391 LYS 33) 0.38084020 +1 25.53099076 +1 10.34268912 +1 0.1906 H( 1392 LYS 33) -0.17385509 +1 24.25919814 +1 9.25714780 +1 0.1657 H( 1393 LYS 33) 2.54871117 +1 25.74535883 +1 9.06321773 +1 0.1616 H( 1394 LYS 33) 1.11184016 +1 26.09880967 +1 8.12180990 +1 0.1600 H( 1395 LYS 33) 2.57370907 +1 23.36917160 +1 8.12651231 +1 0.1635 H( 1396 LYS 33) 1.13776906 +1 23.75735867 +1 7.15286423 +1 0.1513 H( 1397 LYS 33) 3.90315375 +1 25.18235943 +1 7.03830860 +1 0.2173 H( 1398 LYS 33) 2.50567012 +1 25.69975418 +1 6.05699233 +1 0.1990 H( 1399 LYS 33) 3.79291263 +1 22.92820300 +1 5.99545910 +1 0.3131 H( 1400 LYS 33) 2.47860531 +1 23.40878821 +1 5.04937868 +1 0.2439 H( 1401 LYS 33) 3.96872282 +1 24.13558436 +1 4.83141284 +1 0.2438 H( 1402 PHE* 34) 1.87505237 +1 25.57670697 +1 12.26397246 +1 0.3390 H( 1403 PHE* 34) 4.71852069 +1 25.74606593 +1 11.39292727 +1 0.1880 H( 1404 PHE 34) 4.72224536 +1 27.68882077 +1 13.01386957 +1 0.1668 H( 1405 PHE 34) 3.03284791 +1 27.37314396 +1 13.42724896 +1 0.1791 H( 1406 PHE 34) 4.99811243 +1 27.37660510 +1 10.17453092 +1 0.1462 H( 1407 PHE 34) 1.57047605 +1 28.84668230 +1 12.32083285 +1 0.1775 H( 1408 PHE 34) 4.23563541 +1 28.54850066 +1 8.12754049 +1 0.1430 H( 1409 PHE 34) 0.81466550 +1 30.04257297 +1 10.28700848 +1 0.1617 H( 1410 PHE 34) 2.14361038 +1 29.91018202 +1 8.18005864 +1 0.1644 H( 1411 GLU* 35) 3.08233822 +1 24.08135566 +1 14.09656635 +1 0.3296 H( 1412 GLU* 35) 5.63089710 +1 24.10389414 +1 15.62754663 +1 0.2302 H( 1413 GLU 35) 4.38819897 +1 22.22068060 +1 16.84993682 +1 0.1675 H( 1414 GLU 35) 2.98197270 +1 22.47373217 +1 15.77460314 +1 0.1435 H( 1415 GLU 35) 2.92058947 +1 24.91427840 +1 16.59341537 +1 0.1716 H( 1416 GLU 35) 2.55777914 +1 23.69310021 +1 17.80255047 +1 0.1632 H( 1417 SER* 36) 3.81769723 +1 21.60268635 +1 13.55229302 +1 0.3356 H( 1418 SER* 36) 6.50139194 +1 20.16572490 +1 13.45594633 +1 0.2235 H( 1419 SER 36) 5.06072025 +1 18.12120144 +1 13.58208558 +1 0.1500 H( 1420 SER 36) 4.43007994 +1 19.25039296 +1 14.84627436 +1 0.1901 H( 1421 SER 36) 3.22039858 +1 18.56005103 +1 12.43155402 +1 0.2857 H( 1422 ASN* 37) 4.55249822 +1 21.96378694 +1 11.33350489 +1 0.3503 H( 1423 ASN* 37) 4.09865617 +1 21.89542987 +1 9.13811806 +1 0.2058 H( 1424 ASN 37) 6.74574858 +1 21.42013926 +1 9.28278865 +1 0.2255 H( 1425 ASN 37) 6.32806060 +1 19.78268683 +1 8.77177970 +1 0.2120 H( 1426 ASN 37) 7.56727021 +1 20.29721394 +1 6.71332643 +1 0.3164 H( 1427 ASN 37) 6.78094333 +1 21.18729765 +1 5.47918595 +1 0.2781 H( 1428 PHE* 38) 2.57027879 +1 20.19958133 +1 10.85366451 +1 0.3309 H( 1429 PHE* 38) 1.04231192 +1 18.57187750 +1 10.84620198 +1 0.1773 H( 1430 PHE 38) 1.69186524 +1 18.40318905 +1 7.80729331 +1 0.1922 H( 1431 PHE 38) 0.26133117 +1 17.71562740 +1 8.56974388 +1 0.1818 H( 1432 PHE 38) -0.23489663 +1 20.12124077 +1 10.56314144 +1 0.1563 H( 1433 PHE 38) 0.54317511 +1 19.87599424 +1 6.34438074 +1 0.1512 H( 1434 PHE 38) -1.57365910 +1 22.17079369 +1 10.20494238 +1 0.1784 H( 1435 PHE 38) -0.80047544 +1 21.93050764 +1 5.97794506 +1 0.1389 H( 1436 PHE 38) -1.86925910 +1 23.06267341 +1 7.91139401 +1 0.1520 H( 1437 ASN* 39) 4.13746498 +1 17.73344591 +1 10.90365996 +1 0.3269 H( 1438 ASN* 39) 3.72585223 +1 14.89118645 +1 10.00703877 +1 0.1912 H( 1439 ASN 39) 6.16858610 +1 16.50636103 +1 11.10631896 +1 0.2367 H( 1440 ASN 39) 5.78613464 +1 16.30406354 +1 9.40262919 +1 0.2131 H( 1441 ASN 39) 8.35599485 +1 13.75900732 +1 10.08981431 +1 0.2817 H( 1442 ASN 39) 8.21384366 +1 15.46635838 +1 9.95705192 +1 0.3142 H( 1443 THR* 40) 2.91658472 +1 13.48418486 +1 11.51856084 +1 0.3259 H( 1444 THR* 40) 2.70340957 +1 14.16101753 +1 14.32735149 +1 0.2114 H( 1445 THR 40) 2.06454872 +1 11.76275229 +1 14.61200186 +1 0.1574 H( 1446 THR 40) 3.21643302 +1 10.46380700 +1 13.42507605 +1 0.3644 H( 1447 THR 40) 0.94466830 +1 12.72808128 +1 11.87917039 +1 0.1821 H( 1448 THR 40) 0.12587764 +1 11.77310279 +1 13.13628970 +1 0.1792 H( 1449 THR 40) 0.47688532 +1 13.47699777 +1 13.42612570 +1 0.1870 H( 1450 GLN* 41) 5.43957037 +1 12.80886739 +1 12.45000797 +1 0.3137 H( 1451 GLN* 41) 6.52468582 +1 11.59540232 +1 14.97056346 +1 0.2074 H( 1452 GLN 41) 8.33570238 +1 10.83082143 +1 13.39567406 +1 0.1952 H( 1453 GLN 41) 7.58808442 +1 11.69199020 +1 12.03727094 +1 0.1397 H( 1454 GLN 41) 6.08947980 +1 9.55087688 +1 13.68771741 +1 0.2031 H( 1455 GLN 41) 5.56585671 +1 10.24693916 +1 12.15610678 +1 0.1374 H( 1456 GLN 41) 7.63302740 +1 8.02737204 +1 10.22287996 +1 0.2811 H( 1457 GLN 41) 6.65273056 +1 9.42310647 +1 10.14522089 +1 0.2790 H( 1458 ALA* 42) 6.42251914 +1 14.77582488 +1 14.10564638 +1 0.3176 H( 1459 ALA* 42) 9.25376876 +1 15.39185447 +1 13.95979135 +1 0.1621 H( 1460 ALA 42) 8.39705251 +1 17.73064584 +1 14.44283355 +1 0.1991 H( 1461 ALA 42) 7.47794255 +1 16.95507559 +1 13.14650316 +1 0.1707 H( 1462 ALA 42) 6.78619437 +1 17.10064342 +1 14.77785445 +1 0.1870 H( 1463 THR* 43) 10.72559083 +1 15.95572134 +1 15.54884812 +1 0.3169 H( 1464 THR* 43) 9.72952434 +1 16.07600563 +1 18.38322884 +1 0.2276 H( 1465 THR 43) 11.84702975 +1 14.77118669 +1 19.06864893 +1 0.1390 H( 1466 THR 43) 12.00037350 +1 14.09267532 +1 16.25318760 +1 0.3624 H( 1467 THR 43) 10.86541823 +1 12.48198750 +1 18.47798660 +1 0.1704 H( 1468 THR 43) 9.72607624 +1 13.23943825 +1 17.36213999 +1 0.1798 H( 1469 THR 43) 9.61485500 +1 13.58044368 +1 19.09219686 +1 0.1712 H( 1470 ASN* 44) 10.97086575 +1 17.66782054 +1 19.46572591 +1 0.3332 H( 1471 ASN* 44) 13.55813902 +1 18.50196118 +1 18.13698024 +1 0.1792 H( 1472 ASN 44) 12.66241348 +1 20.95043740 +1 18.62358287 +1 0.1918 H( 1473 ASN 44) 11.06049901 +1 20.24794666 +1 18.77404318 +1 0.2356 H( 1474 ASN 44) 13.85560862 +1 20.34152891 +1 16.40306706 +1 0.2673 H( 1475 ASN 44) 12.86674843 +1 20.17001192 +1 15.02773007 +1 0.2727 H( 1476 ARG* 45) 15.11088285 +1 19.03818707 +1 19.67985600 +1 0.3134 H( 1477 ARG* 45) 14.34882892 +1 18.41457766 +1 22.51801512 +1 0.1862 H( 1478 ARG 45) 17.12292860 +1 19.10203078 +1 21.30380063 +1 0.1714 H( 1479 ARG 45) 16.45002249 +1 17.47461545 +1 21.19887563 +1 0.1455 H( 1480 ARG 45) 18.08420902 +1 18.18747867 +1 23.21951994 +1 0.1476 H( 1481 ARG 45) 16.66809656 +1 18.91053700 +1 23.93938063 +1 0.2023 H( 1482 ARG 45) 16.86812443 +1 15.93483814 +1 22.99439348 +1 0.1595 H( 1483 ARG 45) 15.36994457 +1 16.70865630 +1 23.52354520 +1 0.2030 H( 1484 ARG 45) 16.05168419 +1 16.91115192 +1 25.73146792 +1 0.3429 H( 1485 ARG 45) 19.35706300 +1 14.56666001 +1 25.03000372 +1 0.2847 H( 1486 ARG 45) 18.73526143 +1 15.50897867 +1 23.73370273 +1 0.3307 H( 1487 ARG 45) 18.57000268 +1 14.95886689 +1 27.26428420 +1 0.2936 H( 1488 ARG 45) 17.05258697 +1 15.76697662 +1 27.48515223 +1 0.3403 H( 1489 ASN* 46) 14.53366037 +1 19.99027509 +1 24.16610879 +1 0.3327 H( 1490 ASN* 46) 14.92447786 +1 22.81668380 +1 23.17694022 +1 0.1891 H( 1491 ASN 46) 13.74942487 +1 23.33757055 +1 25.39767713 +1 0.2116 H( 1492 ASN 46) 13.69276492 +1 21.63305838 +1 25.81771961 +1 0.2216 H( 1493 ASN 46) 12.97017176 +1 23.32792425 +1 22.60746376 +1 0.2752 H( 1494 ASN 46) 11.38223385 +1 22.66198745 +1 22.49240151 +1 0.3118 H( 1495 THR* 47) 16.14676544 +1 24.24698118 +1 24.81323164 +1 0.3143 H( 1496 THR* 47) 18.74787531 +1 23.03643382 +1 25.27174139 +1 0.2001 H( 1497 THR 47) 19.23554589 +1 25.20529064 +1 26.48170183 +1 0.1394 H( 1498 THR 47) 17.55512591 +1 26.80632085 +1 26.53012057 +1 0.3313 H( 1499 THR 47) 19.23466167 +1 24.94981284 +1 23.86045300 +1 0.1806 H( 1500 THR 47) 17.62485540 +1 25.68082898 +1 23.85994559 +1 0.1825 H( 1501 THR 47) 19.01630858 +1 26.59926695 +1 24.42506802 +1 0.1772 H( 1502 ASP* 48) 15.85530250 +1 23.47233575 +1 27.43950316 +1 0.3284 H( 1503 ASP* 48) 17.52770941 +1 22.92032814 +1 29.81831877 +1 0.1955 H( 1504 ASP 48) 15.37382721 +1 24.24238719 +1 29.90776375 +1 0.2112 H( 1505 ASP 48) 15.36868453 +1 22.86392796 +1 30.98027524 +1 0.2009 H( 1506 GLY* 49) 16.80903961 +1 20.86358862 +1 27.16296453 +1 0.3339 H( 1507 GLY* 49) 17.56418498 +1 18.63360281 +1 27.31303031 +1 0.1823 H( 1508 GLY* 49) 17.19014637 +1 18.56065436 +1 29.06449150 +1 0.2259 H( 1509 SER* 50) 14.42329848 +1 20.07336745 +1 27.80705610 +1 0.3441 H( 1510 SER* 50) 13.01309582 +1 17.41419834 +1 28.01342230 +1 0.1841 H( 1511 SER 50) 12.06708938 +1 19.50271616 +1 29.13943634 +1 0.1139 H( 1512 SER 50) 10.98956601 +1 18.92691113 +1 27.80745083 +1 0.1578 H( 1513 SER 50) 12.72970355 +1 21.24066781 +1 27.73343720 +1 0.3734 H( 1514 THR* 51) 11.19328246 +1 17.25293886 +1 26.10847469 +1 0.3263 H( 1515 THR* 51) 12.47660670 +1 18.16643115 +1 23.52942871 +1 0.2218 H( 1516 THR 51) 11.64005781 +1 15.23094810 +1 24.25326645 +1 0.1196 H( 1517 THR 51) 13.70008225 +1 15.76456171 +1 25.03811125 +1 0.3579 H( 1518 THR 51) 12.51546153 +1 14.82442042 +1 21.85281389 +1 0.1716 H( 1519 THR 51) 10.98488747 +1 15.71161797 +1 21.89908230 +1 0.1931 H( 1520 THR 51) 12.49905603 +1 16.57207101 +1 21.57533467 +1 0.1805 H( 1521 ASP* 52) 10.83456723 +1 18.54220876 +1 21.94711184 +1 0.3355 H( 1522 ASP* 52) 8.01835946 +1 18.49057825 +1 22.99617025 +1 0.2080 H( 1523 ASP 52) 9.37066689 +1 19.83002714 +1 20.51453750 +1 0.2075 H( 1524 ASP 52) 7.66198400 +1 19.91429494 +1 20.88636919 +1 0.1892 H( 1525 TYR* 53) 6.52504177 +1 17.09618170 +1 22.01296538 +1 0.3346 H( 1526 TYR* 53) 7.62761397 +1 15.39886593 +1 19.75978574 +1 0.1998 H( 1527 TYR 53) 6.04897016 +1 13.63725621 +1 20.84056500 +1 0.1577 H( 1528 TYR 53) 5.73583112 +1 14.77224329 +1 22.15311324 +1 0.1765 H( 1529 TYR 53) 7.59021619 +1 15.43258435 +1 23.72370785 +1 0.1833 H( 1530 TYR 53) 8.17879335 +1 12.46288248 +1 20.65826824 +1 0.1462 H( 1531 TYR 53) 9.60859105 +1 14.64988476 +1 24.87885266 +1 0.1908 H( 1532 TYR 53) 10.23265136 +1 11.69198514 +1 21.81614200 +1 0.1780 H( 1533 TYR 53) 11.30618541 +1 13.16079674 +1 24.95484292 +1 0.3796 H( 1534 GLY* 54) 6.39923689 +1 15.06874074 +1 17.97093347 +1 0.3378 H( 1535 GLY* 54) 4.43838763 +1 14.37211783 +1 16.94923270 +1 0.2267 H( 1536 GLY* 54) 3.46399556 +1 14.85015166 +1 18.33775028 +1 0.2104 H( 1537 ILE* 55) 2.09379889 +1 15.40073733 +1 16.58010652 +1 0.3401 H( 1538 ILE* 55) 2.74960142 +1 17.50857892 +1 14.67367940 +1 0.2048 H( 1539 ILE 55) 0.99379735 +1 15.58647689 +1 14.63986395 +1 0.1330 H( 1540 ILE 55) 1.30964437 +1 17.71721871 +1 13.12989093 +1 0.1391 H( 1541 ILE 55) -0.09936527 +1 18.37235406 +1 13.93516666 +1 0.1507 H( 1542 ILE 55) -0.06069719 +1 15.99028250 +1 16.84690127 +1 0.1656 H( 1543 ILE 55) -1.25924543 +1 16.09907472 +1 15.56041544 +1 0.1557 H( 1544 ILE 55) -0.66578083 +1 17.57764018 +1 16.32736610 +1 0.1577 H( 1545 ILE 55) 0.02489173 +1 15.80048076 +1 12.24105412 +1 0.1490 H( 1546 ILE 55) -1.36172099 +1 16.17922083 +1 13.26314080 +1 0.1547 H( 1547 ILE 55) -0.92999242 +1 17.25792598 +1 11.94110761 +1 0.1439 H( 1548 LEU* 56) 1.51560703 +1 17.69451996 +1 18.10046977 +1 0.3100 H( 1549 LEU* 56) 1.43335914 +1 20.68325602 +1 17.57737956 +1 0.2097 H( 1550 LEU 56) 0.21053157 +1 20.59377443 +1 19.86599589 +1 0.1770 H( 1551 LEU 56) 0.10412778 +1 18.84293658 +1 19.69734937 +1 0.1376 H( 1552 LEU 56) -1.02912663 +1 19.19320945 +1 17.40068108 +1 0.1059 H( 1553 LEU 56) -2.34136238 +1 18.70523946 +1 19.48661390 +1 0.1462 H( 1554 LEU 56) -3.22405204 +1 19.82664542 +1 18.44283949 +1 0.1520 H( 1555 LEU 56) -2.40561466 +1 20.43033008 +1 19.87556069 +1 0.1663 H( 1556 LEU 56) -0.15192455 +1 21.50638245 +1 16.99823665 +1 0.1612 H( 1557 LEU 56) -1.91964368 +1 21.51751121 +1 16.96412054 +1 0.1527 H( 1558 LEU 56) -1.06208586 +1 22.13368707 +1 18.37565230 +1 0.1684 H( 1559 GLN* 57) 3.89615243 +1 18.77705205 +1 18.14950780 +1 0.3209 H( 1560 GLN* 57) 5.64099635 +1 18.67819913 +1 19.60652088 +1 0.1725 H( 1561 GLN 57) 6.49963992 +1 21.16391459 +1 19.87256253 +1 0.1821 H( 1562 GLN 57) 5.01791462 +1 21.70996138 +1 19.13506471 +1 0.1988 H( 1563 GLN 57) 6.66667823 +1 21.54817089 +1 17.38787123 +1 0.2206 H( 1564 GLN 57) 5.50840519 +1 20.26085294 +1 17.06614960 +1 0.1600 H( 1565 GLN 57) 7.87271651 +1 17.58922566 +1 17.66216192 +1 0.2787 H( 1566 GLN 57) 6.23020248 +1 17.96284674 +1 17.33764358 +1 0.3023 H( 1567 ILE* 58) 4.06246963 +1 17.81256434 +1 21.38170958 +1 0.3064 H( 1568 ILE* 58) 3.57004304 +1 19.78114716 +1 23.57695335 +1 0.2032 H( 1569 ILE 58) 2.95234213 +1 16.77658200 +1 23.06402186 +1 0.1283 H( 1570 ILE 58) 1.61648916 +1 18.71987843 +1 22.00640743 +1 0.1366 H( 1571 ILE 58) 1.23239256 +1 19.30020575 +1 23.61529153 +1 0.1546 H( 1572 ILE 58) 3.59139072 +1 16.97648775 +1 25.45175687 +1 0.1625 H( 1573 ILE 58) 1.84248465 +1 16.78132737 +1 25.30122085 +1 0.1612 H( 1574 ILE 58) 2.51382992 +1 18.36965134 +1 25.67386111 +1 0.1729 H( 1575 ILE 58) 0.52052217 +1 16.42944755 +1 22.75802375 +1 0.1394 H( 1576 ILE 58) -0.56047955 +1 17.80788608 +1 22.50188218 +1 0.1541 H( 1577 ILE 58) -0.10016402 +1 17.34883781 +1 24.13399032 +1 0.1569 H( 1578 ASN* 59) 4.75980071 +1 19.99214604 +1 25.33252536 +1 0.3302 H( 1579 ASN* 59) 7.51385419 +1 18.93895079 +1 25.08617982 +1 0.2173 H( 1580 ASN 59) 6.89442777 +1 21.32926353 +1 25.47697224 +1 0.2287 H( 1581 ASN 59) 6.16710106 +1 20.96331030 +1 27.04559513 +1 0.1964 H( 1582 ASN 59) 10.31665294 +1 20.97836804 +1 26.56888828 +1 0.3214 H( 1583 ASN 59) 9.31806488 +1 20.90418878 +1 25.16869883 +1 0.3577 H( 1584 SER* 60) 8.61683477 +1 17.54774730 +1 26.29632717 +1 0.3466 H( 1585 SER* 60) 7.18407137 +1 15.76370534 +1 28.10822974 +1 0.2005 H( 1586 SER 60) 9.38820819 +1 14.63112483 +1 28.21644345 +1 0.1352 H( 1587 SER 60) 9.16137783 +1 15.22411618 +1 26.52979026 +1 0.1691 H( 1588 SER 60) 11.14677943 +1 15.92072923 +1 28.27538406 +1 0.3528 H( 1589 ARG* 61) 8.62591505 +1 18.92659886 +1 28.76841207 +1 0.3464 H( 1590 ARG* 61) 9.71082432 +1 18.32369406 +1 31.42065095 +1 0.1613 H( 1591 ARG 61) 10.24562499 +1 20.39143294 +1 30.09354249 +1 0.1658 H( 1592 ARG 61) 8.55676617 +1 20.87233739 +1 30.06099317 +1 0.2144 H( 1593 ARG 61) 9.49441647 +1 22.25109049 +1 31.66565339 +1 0.1855 H( 1594 ARG 61) 8.51620625 +1 21.10271164 +1 32.59348554 +1 0.1847 H( 1595 ARG 61) 10.66996412 +1 21.44804629 +1 33.72587598 +1 0.1643 H( 1596 ARG 61) 10.49763070 +1 19.74654700 +1 33.18292479 +1 0.1438 H( 1597 ARG 61) 11.93374624 +1 21.69027942 +1 31.36171059 +1 0.3420 H( 1598 ARG 61) 13.83934336 +1 18.80392310 +1 33.62757173 +1 0.3138 H( 1599 ARG 61) 12.32763928 +1 19.37927865 +1 34.12677239 +1 0.3079 H( 1600 ARG 61) 15.03076702 +1 20.00075678 +1 31.85956801 +1 0.3327 H( 1601 ARG 61) 14.12825725 +1 20.97021118 +1 30.79433424 +1 0.3111 H( 1602 TRP* 62) 6.38720652 +1 19.15604805 +1 30.13593168 +1 0.3047 H( 1603 TRP* 62) 5.47657623 +1 18.64103249 +1 32.97372054 +1 0.1970 H( 1604 TRP 62) 3.98819843 +1 20.24563731 +1 30.76711551 +1 0.1733 H( 1605 TRP 62) 3.67429947 +1 20.20964601 +1 32.49643897 +1 0.1769 H( 1606 TRP 62) 5.78424456 +1 22.04834006 +1 29.86434203 +1 0.1817 H( 1607 TRP 62) 7.10257555 +1 23.88578935 +1 30.97910357 +1 0.2799 H( 1608 TRP 62) 4.93651886 +1 20.74087228 +1 34.76052633 +1 0.1236 H( 1609 TRP 62) 7.79078224 +1 24.70032482 +1 33.59388491 +1 0.1668 H( 1610 TRP 62) 5.98822648 +1 22.14106384 +1 36.55016994 +1 0.1426 H( 1611 TRP 62) 7.38808246 +1 24.08006206 +1 35.97528368 +1 0.1551 H( 1612 TRP* 63) 4.70848008 +1 17.90225513 +1 29.43771096 +1 0.3311 H( 1613 TRP* 63) 2.13297302 +1 16.82949574 +1 30.55876726 +1 0.1930 H( 1614 TRP 63) 3.09531039 +1 17.29909729 +1 27.64031331 +1 0.1675 H( 1615 TRP 63) 1.42520650 +1 17.02419147 +1 28.19316116 +1 0.1751 H( 1616 TRP 63) 3.92808732 +1 19.88904953 +1 27.69146345 +1 0.1841 H( 1617 TRP 63) 2.97089450 +1 22.05411554 +1 28.61526746 +1 0.3089 H( 1618 TRP 63) -0.13055161 +1 17.96710927 +1 30.24133415 +1 0.1365 H( 1619 TRP 63) 0.84421592 +1 22.88733293 +1 30.23651845 +1 0.1809 H( 1620 TRP 63) -1.57796641 +1 19.57586585 +1 31.48127989 +1 0.1469 H( 1621 TRP 63) -1.09876133 +1 21.98501210 +1 31.48845942 +1 0.1817 H( 1622 CYS* 64) 5.13180548 +1 15.34535588 +1 29.09858600 +1 0.3169 H( 1623 CYS* 64) 3.55130480 +1 12.77725592 +1 29.35499698 +1 0.2458 H( 1624 CYS 64) 4.30784354 +1 12.02621649 +1 27.13611336 +1 0.1926 H( 1625 CYS 64) 3.36220111 +1 13.51280593 +1 26.96909926 +1 0.1969 H( 1626 ASN* 65) 5.10934514 +1 10.89745446 +1 29.22889618 +1 0.3318 H( 1627 ASN* 65) 7.66547411 +1 11.75265822 +1 30.63538063 +1 0.2157 H( 1628 ASN 65) 6.08746170 +1 9.06467302 +1 30.58491815 +1 0.2038 H( 1629 ASN 65) 6.06032071 +1 10.24986914 +1 31.88682541 +1 0.2116 H( 1630 ASN 65) 8.82041593 +1 7.41924637 +1 32.16601146 +1 0.3089 H( 1631 ASN 65) 7.24200962 +1 7.32000739 +1 31.47513072 +1 0.3050 H( 1632 ASP* 66) 9.51902660 +1 11.65995744 +1 29.36964030 +1 0.3222 H( 1633 ASP* 66) 9.54760309 +1 9.43258467 +1 27.29849301 +1 0.1875 H( 1634 ASP 66) 11.19233160 +1 10.79357790 +1 26.08245933 +1 0.2189 H( 1635 ASP 66) 9.69880443 +1 11.70508612 +1 26.27426249 +1 0.1940 H( 1636 GLY* 67) 10.45642663 +1 9.83649922 +1 30.44546881 +1 0.3000 H( 1637 GLY* 67) 12.51639869 +1 7.84087007 +1 30.18412131 +1 0.1995 H( 1638 GLY* 67) 11.97598424 +1 8.66943650 +1 31.66652388 +1 0.2034 H( 1639 ARG* 68) 12.96973776 +1 11.21224815 +1 29.48564048 +1 0.3277 H( 1640 ARG* 68) 15.63162746 +1 11.10120176 +1 30.94396617 +1 0.2014 H( 1641 ARG 68) 16.76211757 +1 11.69818432 +1 28.91534625 +1 0.1633 H( 1642 ARG 68) 15.87643627 +1 10.18749811 +1 28.65625187 +1 0.1726 H( 1643 ARG 68) 14.66185780 +1 12.91150288 +1 27.82858360 +1 0.1757 H( 1644 ARG 68) 14.15056594 +1 11.30400206 +1 27.30827607 +1 0.1708 H( 1645 ARG 68) 17.04305351 +1 12.29175066 +1 26.83261357 +1 0.1481 H( 1646 ARG 68) 16.19428401 +1 10.92105118 +1 26.04949156 +1 0.1463 H( 1647 ARG 68) 14.90948429 +1 13.61461806 +1 25.72459639 +1 0.3484 H( 1648 ARG 68) 17.43996824 +1 11.30129097 +1 24.50144118 +1 0.3316 H( 1649 ARG 68) 17.30808052 +1 11.83462483 +1 22.87041124 +1 0.2892 H( 1650 ARG 68) 15.84991436 +1 13.65784530 +1 22.27671693 +1 0.3016 H( 1651 ARG 68) 14.77102869 +1 14.32460304 +1 23.45635863 +1 0.3446 H( 1652 THR* 69) 13.12120003 +1 12.78655688 +1 31.45791006 +1 0.3135 H( 1653 THR* 69) 14.56201657 +1 15.44404567 +1 31.05805993 +1 0.2155 H( 1654 THR 69) 11.49632024 +1 14.95319991 +1 31.22193457 +1 0.1287 H( 1655 THR 69) 12.30661879 +1 14.08556323 +1 29.20176658 +1 0.3700 H( 1656 THR 69) 13.28467533 +1 17.41400163 +1 30.55700002 +1 0.1817 H( 1657 THR 69) 12.22323229 +1 17.21021853 +1 31.97426851 +1 0.1803 H( 1658 THR 69) 11.53867491 +1 17.36729321 +1 30.33498119 +1 0.1803 H( 1659 PRO* 70) 14.44031265 +1 13.75783107 +1 35.48436741 +1 0.1685 H( 1660 PRO 70) 16.49183861 +1 14.75726354 +1 36.41042043 +1 0.1694 H( 1661 PRO 70) 16.38230499 +1 16.19285028 +1 35.39264606 +1 0.1800 H( 1662 PRO 70) 17.92370883 +1 14.67184118 +1 34.17930142 +1 0.1690 H( 1663 PRO 70) 16.88879286 +1 13.27428986 +1 34.44710849 +1 0.1580 H( 1664 PRO 70) 16.31851399 +1 15.76527822 +1 32.68179559 +1 0.1694 H( 1665 PRO 70) 16.12091371 +1 14.03874734 +1 32.25983615 +1 0.1461 H( 1666 GLY* 71) 13.09559335 +1 14.42854004 +1 37.11944613 +1 0.3165 H( 1667 GLY* 71) 12.72394888 +1 17.18268219 +1 37.87706299 +1 0.2144 H( 1668 GLY* 71) 11.71125208 +1 15.79072293 +1 38.34797140 +1 0.1889 H( 1669 SER* 72) 10.98625129 +1 15.18794355 +1 35.39380191 +1 0.2971 H( 1670 SER* 72) 9.40179867 +1 17.69611683 +1 34.85753429 +1 0.2225 H( 1671 SER 72) 10.82860988 +1 16.52752806 +1 33.03296008 +1 0.1566 H( 1672 SER 72) 9.04154858 +1 16.69125985 +1 32.61330088 +1 0.1966 H( 1673 SER 72) 10.46738470 +1 14.33596899 +1 33.41039757 +1 0.3589 H( 1674 ARG* 73) 7.09559665 +1 17.33368362 +1 34.19385146 +1 0.3383 H( 1675 ARG* 73) 5.89218062 +1 15.25967569 +1 36.06117852 +1 0.1906 H( 1676 ARG 73) 4.75471485 +1 17.81454579 +1 34.67883979 +1 0.1764 H( 1677 ARG 73) 3.80268637 +1 16.71138069 +1 35.65054471 +1 0.1609 H( 1678 ARG 73) 6.32549484 +1 17.71138130 +1 37.03539228 +1 0.1884 H( 1679 ARG 73) 5.19904298 +1 18.97400282 +1 36.61240752 +1 0.1687 H( 1680 ARG 73) 4.97953292 +1 17.71448228 +1 38.94811736 +1 0.1663 H( 1681 ARG 73) 4.25360028 +1 16.36312618 +1 37.99682138 +1 0.1601 H( 1682 ARG 73) 3.01523338 +1 18.93697927 +1 37.35098916 +1 0.3117 H( 1683 ARG 73) 2.99447699 +1 16.20856814 +1 39.71945777 +1 0.3073 H( 1684 ARG 73) 1.47173702 +1 16.62440239 +1 40.38343169 +1 0.3076 H( 1685 ARG 73) 0.86166797 +1 19.39509536 +1 38.20645932 +1 0.3190 H( 1686 ARG 73) 0.20325352 +1 18.42523573 +1 39.45423837 +1 0.3105 H( 1687 ASN* 74) 3.78306225 +1 14.37584930 +1 35.08662919 +1 0.3058 H( 1688 ASN* 74) 3.93338911 +1 14.06983109 +1 32.05209314 +1 0.2074 H( 1689 ASN 74) 5.03164096 +1 12.08092053 +1 33.27659151 +1 0.2027 H( 1690 ASN 74) 3.55818973 +1 11.86173974 +1 34.21886703 +1 0.2023 H( 1691 ASN 74) 3.91194008 +1 9.62274214 +1 33.07204361 +1 0.3100 H( 1692 ASN 74) 3.08147743 +1 9.40163792 +1 31.57953494 +1 0.3062 H( 1693 LEU* 75) 2.39363223 +1 15.99935740 +1 32.82897959 +1 0.3458 H( 1694 LEU* 75) 0.01905193 +1 15.31178162 +1 34.36487562 +1 0.1814 H( 1695 LEU 75) 0.59812964 +1 17.56720953 +1 32.29635839 +1 0.1733 H( 1696 LEU 75) -0.85279335 +1 17.45954297 +1 33.28749204 +1 0.1804 H( 1697 LEU 75) 2.03959123 +1 17.52058065 +1 34.39297423 +1 0.1085 H( 1698 LEU 75) 1.55459426 +1 19.87284855 +1 35.01381553 +1 0.1450 H( 1699 LEU 75) 1.29407906 +1 19.69090625 +1 33.28075618 +1 0.1753 H( 1700 LEU 75) -0.06733084 +1 19.80956331 +1 34.36325537 +1 0.2010 H( 1701 LEU 75) 1.06423793 +1 17.33847389 +1 36.53261914 +1 0.1178 H( 1702 LEU 75) -0.17200512 +1 16.43643023 +1 35.66175620 +1 0.1512 H( 1703 LEU 75) -0.45580757 +1 18.12017217 +1 36.04575732 +1 0.1742 H( 1704 CYS* 76) 0.69602581 +1 14.71114281 +1 30.82144339 +1 0.3317 H( 1705 CYS* 76) -2.25000014 +1 14.19043176 +1 30.60352378 +1 0.1918 H( 1706 CYS 76) 0.17988250 +1 14.04251851 +1 28.64421771 +1 0.2173 H( 1707 CYS 76) -1.46057016 +1 13.48320113 +1 28.21378545 +1 0.1840 H( 1708 ASN* 77) 0.43954307 +1 12.47510873 +1 31.90375091 +1 0.3387 H( 1709 ASN* 77) 0.72391800 +1 10.33506634 +1 32.42218884 +1 0.1870 H( 1710 ASN 77) -1.72201447 +1 8.97569611 +1 32.19194880 +1 0.2345 H( 1711 ASN 77) -2.31095307 +1 10.61845171 +1 32.29346116 +1 0.1842 H( 1712 ASN 77) -1.57797567 +1 10.80520896 +1 35.79930214 +1 0.2903 H( 1713 ASN 77) -2.37665010 +1 11.50480710 +1 34.45933467 +1 0.2785 H( 1714 ILE* 78) 1.63651826 +1 10.71715269 +1 29.93551371 +1 0.3310 H( 1715 ILE* 78) 0.94970213 +1 8.04769254 +1 28.76750517 +1 0.1947 H( 1716 ILE 78) 1.11628936 +1 9.19682748 +1 26.41132699 +1 0.1319 H( 1717 ILE 78) 1.81807099 +1 11.44047746 +1 27.47647493 +1 0.1418 H( 1718 ILE 78) 0.12806562 +1 11.67416940 +1 27.93635945 +1 0.1450 H( 1719 ILE 78) -0.93342831 +1 8.10209824 +1 27.12794494 +1 0.1515 H( 1720 ILE 78) -1.42312002 +1 9.47640722 +1 28.11737760 +1 0.1765 H( 1721 ILE 78) -1.37046976 +1 9.64073624 +1 26.36090548 +1 0.1506 H( 1722 ILE 78) 1.07217601 +1 11.23978878 +1 25.03036828 +1 0.1480 H( 1723 ILE 78) -0.57884709 +1 11.62282443 +1 25.55335827 +1 0.1505 H( 1724 ILE 78) 0.71602243 +1 12.80578170 +1 25.76867377 +1 0.1482 H( 1725 PRO* 79) 5.36308231 +1 8.51017659 +1 28.03122929 +1 0.1922 H( 1726 PRO 79) 5.71707970 +1 6.65968532 +1 25.93773157 +1 0.1600 H( 1727 PRO 79) 5.42317351 +1 6.13475084 +1 27.59669750 +1 0.1486 H( 1728 PRO 79) 3.59629697 +1 5.06622422 +1 26.34430185 +1 0.1577 H( 1729 PRO 79) 3.35036003 +1 6.49586931 +1 25.32714786 +1 0.1594 H( 1730 PRO 79) 2.69516307 +1 6.19877757 +1 28.34821405 +1 0.1536 H( 1731 PRO 79) 1.64499577 +1 6.82936111 +1 27.03662690 +1 0.1534 H( 1732 CYS* 80) 6.50455661 +1 9.95640323 +1 26.60929456 +1 0.3391 H( 1733 CYS* 80) 4.88938716 +1 11.58044849 +1 24.85110231 +1 0.2029 H( 1734 CYS 80) 7.99542927 +1 11.10894009 +1 24.85716214 +1 0.1885 H( 1735 CYS 80) 7.14110742 +1 12.42738485 +1 24.04409132 +1 0.2211 H( 1736 SER* 81) 6.55315287 +1 8.45415923 +1 24.14965451 +1 0.3019 H( 1737 SER* 81) 6.68752300 +1 8.82239681 +1 21.29358589 +1 0.2061 H( 1738 SER 81) 7.81242078 +1 6.94186966 +1 22.49558196 +1 0.1406 H( 1739 SER 81) 6.64058146 +1 6.29948099 +1 21.28926810 +1 0.1575 H( 1740 SER 81) 6.66089418 +1 5.38183809 +1 23.59638915 +1 0.3662 H( 1741 ALA* 82) 3.85915894 +1 8.16642871 +1 23.49994474 +1 0.3270 H( 1742 ALA* 82) 2.14259350 +1 7.08865086 +1 21.42566965 +1 0.1899 H( 1743 ALA 82) 1.59708758 +1 8.71413978 +1 24.03981550 +1 0.1895 H( 1744 ALA 82) 1.50697915 +1 6.95690401 +1 23.81468991 +1 0.1794 H( 1745 ALA 82) 0.32358120 +1 7.97712000 +1 23.02815862 +1 0.1919 H( 1746 LEU* 83) 3.34796161 +1 10.41174178 +1 22.12226854 +1 0.3287 H( 1747 LEU* 83) 1.19791781 +1 11.72121956 +1 20.58302099 +1 0.1988 H( 1748 LEU 83) 4.02680067 +1 12.62191894 +1 21.53183971 +1 0.1738 H( 1749 LEU 83) 2.77100200 +1 13.67395584 +1 20.86645013 +1 0.1763 H( 1750 LEU 83) 2.44286105 +1 11.96101629 +1 23.43748400 +1 0.1117 H( 1751 LEU 83) 4.20452641 +1 13.73983760 +1 23.67459374 +1 0.1632 H( 1752 LEU 83) 2.77060874 +1 14.10904250 +1 24.64277316 +1 0.1533 H( 1753 LEU 83) 3.06708375 +1 14.97825435 +1 23.14284893 +1 0.1653 H( 1754 LEU 83) 0.68280491 +1 14.08731853 +1 22.05455895 +1 0.1564 H( 1755 LEU 83) 0.26077412 +1 12.42277543 +1 22.44663047 +1 0.1498 H( 1756 LEU 83) 0.46571816 +1 13.60801217 +1 23.74041478 +1 0.1548 H( 1757 LEU* 84) 3.87231733 +1 9.77229379 +1 19.46610729 +1 0.3213 H( 1758 LEU* 84) 4.07963044 +1 11.53038214 +1 17.02802015 +1 0.2348 H( 1759 LEU 84) 5.93494120 +1 9.98862932 +1 16.49174893 +1 0.1681 H( 1760 LEU 84) 5.54868001 +1 8.89860161 +1 17.82266095 +1 0.1563 H( 1761 LEU 84) 6.07275164 +1 10.71279411 +1 19.50592587 +1 0.1131 H( 1762 LEU 84) 8.55347958 +1 10.66325658 +1 19.06492503 +1 0.1559 H( 1763 LEU 84) 7.83719522 +1 9.07898589 +1 18.74579714 +1 0.1475 H( 1764 LEU 84) 8.27933657 +1 10.13772819 +1 17.41194376 +1 0.1669 H( 1765 LEU 84) 7.08489651 +1 12.82180485 +1 18.75857078 +1 0.1518 H( 1766 LEU 84) 7.10743575 +1 12.32340923 +1 17.07516729 +1 0.1631 H( 1767 LEU 84) 5.56596461 +1 12.64668660 +1 17.85991166 +1 0.1646 H( 1768 SER* 85) 1.96597017 +1 9.11673856 +1 18.07812117 +1 0.3108 H( 1769 SER* 85) 2.04511694 +1 7.20022397 +1 15.95459682 +1 0.1859 H( 1770 SER 85) 0.81474693 +1 6.82583548 +1 18.09489168 +1 0.1541 H( 1771 SER 85) -0.28268695 +1 8.23840372 +1 17.78613173 +1 0.1847 H( 1772 SER 85) -0.25380862 +1 5.78553410 +1 16.37354555 +1 0.3357 H( 1773 SER* 86) 0.50388090 +1 6.88429115 +1 14.20816823 +1 0.3046 H( 1774 SER* 86) 0.06562326 +1 9.37481385 +1 12.66319640 +1 0.1909 H( 1775 SER 86) 0.56410436 +1 7.31564009 +1 11.40923568 +1 0.1305 H( 1776 SER 86) -1.20352472 +1 7.60391647 +1 11.16697639 +1 0.1624 H( 1777 SER 86) -0.02546560 +1 5.60472573 +1 12.78149372 +1 0.3223 H( 1778 ASP* 87) -1.64746970 +1 7.55510918 +1 15.18152475 +1 0.3226 H( 1779 ASP* 87) -4.31321954 +1 8.67492706 +1 14.39427472 +1 0.1760 H( 1780 ASP 87) -3.32386197 +1 7.04514239 +1 16.86765170 +1 0.1818 H( 1781 ASP 87) -3.92620524 +1 6.29361446 +1 15.38083454 +1 0.2015 H( 1782 ILE* 88) -4.67537540 +1 10.81739512 +1 15.10560381 +1 0.3136 H( 1783 ILE* 88) -2.64485329 +1 11.97279673 +1 16.95454836 +1 0.2300 H( 1784 ILE 88) -3.79159315 +1 14.09107587 +1 16.56144604 +1 0.1439 H( 1785 ILE 88) -5.86374052 +1 12.48506679 +1 14.89449370 +1 0.1447 H( 1786 ILE 88) -6.16857739 +1 13.20211226 +1 16.47696401 +1 0.1489 H( 1787 ILE 88) -2.12990523 +1 13.12464685 +1 14.89093705 +1 0.1674 H( 1788 ILE 88) -3.47112241 +1 12.53939800 +1 13.89316677 +1 0.1559 H( 1789 ILE 88) -3.26128154 +1 14.27052015 +1 14.15429800 +1 0.1537 H( 1790 ILE 88) -5.50690248 +1 14.74114704 +1 13.89977393 +1 0.1427 H( 1791 ILE 88) -7.03964882 +1 14.70287124 +1 14.78994141 +1 0.1645 H( 1792 ILE 88) -5.62812473 +1 15.50052386 +1 15.48980981 +1 0.1417 H( 1793 THR* 89) -5.45840642 +1 10.15118013 +1 17.68231820 +1 0.3393 H( 1794 THR* 89) -6.90119893 +1 11.73802768 +1 19.44090816 +1 0.2092 H( 1795 THR 89) -5.92712375 +1 8.79793946 +1 19.84037332 +1 0.1298 H( 1796 THR 89) -7.02186131 +1 8.66324053 +1 17.98471450 +1 0.3792 H( 1797 THR 89) -7.02755669 +1 9.82945832 +1 21.90404188 +1 0.1668 H( 1798 THR 89) -8.09289559 +1 8.64847394 +1 21.12587545 +1 0.1841 H( 1799 THR 89) -8.39125680 +1 10.37062446 +1 20.91273950 +1 0.1891 H( 1800 ALA* 90) -3.73003241 +1 10.04523843 +1 20.42056256 +1 0.3356 H( 1801 ALA* 90) -4.00806890 +1 10.99580542 +1 23.14380085 +1 0.1666 H( 1802 ALA 90) -1.44335919 +1 10.31564590 +1 21.48921136 +1 0.1833 H( 1803 ALA 90) -2.40332656 +1 9.16391439 +1 22.42233643 +1 0.1857 H( 1804 ALA 90) -1.53438612 +1 10.46556907 +1 23.25228339 +1 0.1761 H( 1805 SER* 91) -2.32292165 +1 12.45424404 +1 20.20367220 +1 0.3374 H( 1806 SER* 91) -1.24495123 +1 14.67579396 +1 21.68800724 +1 0.1951 H( 1807 SER 91) -1.53982939 +1 15.77748779 +1 19.24168028 +1 0.1340 H( 1808 SER 91) -1.97534338 +1 14.09460713 +1 18.74124166 +1 0.1745 H( 1809 SER 91) 0.52554468 +1 15.02648011 +1 19.67731943 +1 0.3445 H( 1810 VAL* 92) -4.52078255 +1 14.22217459 +1 20.08723151 +1 0.3407 H( 1811 VAL* 92) -5.27399204 +1 17.01076238 +1 20.61739740 +1 0.1911 H( 1812 VAL 92) -6.87667198 +1 14.39321831 +1 20.05507596 +1 0.1452 H( 1813 VAL 92) -7.91113313 +1 17.32016982 +1 20.14926744 +1 0.1720 H( 1814 VAL 92) -8.29020957 +1 16.06477022 +1 21.34744216 +1 0.1549 H( 1815 VAL 92) -8.83980637 +1 15.88133376 +1 19.68021148 +1 0.1713 H( 1816 VAL 92) -5.44917314 +1 15.18808905 +1 18.16469507 +1 0.1700 H( 1817 VAL 92) -7.13852636 +1 15.51113664 +1 17.80072605 +1 0.1670 H( 1818 VAL 92) -6.09380074 +1 16.83880400 +1 18.31099572 +1 0.1536 H( 1819 ASN* 93) -5.94583937 +1 13.85213625 +1 22.43445672 +1 0.3401 H( 1820 ASN* 93) -7.52883171 +1 15.14815389 +1 24.42218779 +1 0.1962 H( 1821 ASN 93) -5.61083962 +1 12.70850190 +1 24.65925778 +1 0.1911 H( 1822 ASN 93) -6.76173201 +1 13.21738617 +1 25.91258509 +1 0.1945 H( 1823 ASN 93) -6.87627451 +1 10.61967138 +1 24.63698583 +1 0.2886 H( 1824 ASN 93) -8.38534504 +1 10.54663320 +1 23.79455477 +1 0.3028 H( 1825 CYS* 94) -3.89541875 +1 14.82468267 +1 24.16934533 +1 0.3316 H( 1826 CYS* 94) -3.56393742 +1 15.94331528 +1 26.89881424 +1 0.2030 H( 1827 CYS 94) -1.56316344 +1 15.79989624 +1 24.48766782 +1 0.1969 H( 1828 CYS 94) -1.88610716 +1 14.43135551 +1 25.56657114 +1 0.1877 H( 1829 ALA* 95) -3.62644210 +1 17.26372705 +1 23.46161029 +1 0.3296 H( 1830 ALA* 95) -2.75241195 +1 19.91168060 +1 24.20932020 +1 0.1830 H( 1831 ALA 95) -3.01415115 +1 18.94656538 +1 21.82489894 +1 0.1833 H( 1832 ALA 95) -4.77037617 +1 19.04473202 +1 21.99177600 +1 0.1814 H( 1833 ALA 95) -3.79717095 +1 20.52824683 +1 22.03910086 +1 0.1840 H( 1834 LYS* 96) -6.05585963 +1 18.30560128 +1 24.31501038 +1 0.3283 H( 1835 LYS* 96) -7.46643669 +1 20.73354619 +1 24.93493749 +1 0.1904 H( 1836 LYS 96) -7.87047243 +1 17.76166956 +1 25.78638406 +1 0.1538 H( 1837 LYS 96) -9.02137839 +1 19.05131041 +1 26.18363436 +1 0.1608 H( 1838 LYS 96) -8.14029467 +1 18.32628091 +1 23.31311204 +1 0.1652 H( 1839 LYS 96) -9.33083188 +1 19.57031056 +1 23.74564863 +1 0.1571 H( 1840 LYS 96) -9.58607176 +1 16.56746938 +1 24.45268318 +1 0.1473 H( 1841 LYS 96) -10.79063293 +1 17.80944899 +1 24.83834766 +1 0.1649 H( 1842 LYS 96) -9.79287623 +1 17.32073211 +1 21.93278771 +1 0.1872 H( 1843 LYS 96) -11.17129941 +1 18.32885331 +1 22.44325292 +1 0.1957 H( 1844 LYS 96) -11.00461214 +1 15.33234257 +1 22.72310851 +1 0.2529 H( 1845 LYS 96) -12.29888109 +1 16.27566118 +1 23.28423207 +1 0.2915 H( 1846 LYS 96) -11.94408604 +1 16.18525171 +1 21.61641006 +1 0.3065 H( 1847 LYS* 97) -5.46532678 +1 18.52579529 +1 27.08981018 +1 0.3144 H( 1848 LYS* 97) -6.47555594 +1 19.88465156 +1 29.50949132 +1 0.1883 H( 1849 LYS 97) -3.89981735 +1 18.21164318 +1 28.96066698 +1 0.1724 H( 1850 LYS 97) -4.41707343 +1 18.81343249 +1 30.54308114 +1 0.1737 H( 1851 LYS 97) -5.88554580 +1 16.76735491 +1 28.76309101 +1 0.1367 H( 1852 LYS 97) -6.65052029 +1 17.51271998 +1 30.17711719 +1 0.1573 H( 1853 LYS 97) -3.96581116 +1 15.96398490 +1 30.32126032 +1 0.1592 H( 1854 LYS 97) -4.83205882 +1 16.65407067 +1 31.68892920 +1 0.1824 H( 1855 LYS 97) -5.35225840 +1 14.27486310 +1 31.61526141 +1 0.2020 H( 1856 LYS 97) -6.84121826 +1 15.19312621 +1 31.24374704 +1 0.1822 H( 1857 LYS 97) -5.18227619 +1 14.33525024 +1 28.91515741 +1 0.2840 H( 1858 LYS 97) -5.93430925 +1 13.11480324 +1 29.77748960 +1 0.2822 H( 1859 LYS 97) -6.85735556 +1 14.36940960 +1 29.06930123 +1 0.2608 H( 1860 ILE* 98) -3.59509897 +1 20.21207990 +1 27.26191958 +1 0.3195 H( 1861 ILE* 98) -2.24295128 +1 22.17205986 +1 28.88323256 +1 0.2032 H( 1862 ILE 98) -2.33502099 +1 21.70578075 +1 25.79749886 +1 0.1291 H( 1863 ILE 98) -0.28854409 +1 20.83039842 +1 27.94130042 +1 0.1637 H( 1864 ILE 98) -1.52995915 +1 19.76830657 +1 27.28455979 +1 0.1465 H( 1865 ILE 98) -0.13718288 +1 22.95044231 +1 25.77486100 +1 0.1718 H( 1866 ILE 98) -1.46911826 +1 23.99505589 +1 26.25730500 +1 0.1612 H( 1867 ILE 98) -0.34752477 +1 23.37891564 +1 27.47824278 +1 0.1663 H( 1868 ILE 98) 0.61178368 +1 21.12842784 +1 25.53980388 +1 0.1525 H( 1869 ILE 98) 0.70941961 +1 19.48281058 +1 26.17563990 +1 0.1511 H( 1870 ILE 98) -0.55889047 +1 19.91182840 +1 25.01403725 +1 0.1315 H( 1871 VAL* 99) -4.62233599 +1 22.65241173 +1 26.09527988 +1 0.3237 H( 1872 VAL* 99) -4.42311190 +1 25.53862686 +1 26.36939250 +1 0.1997 H( 1873 VAL 99) -5.18200737 +1 24.10722179 +1 24.34766140 +1 0.1300 H( 1874 VAL 99) -6.86673993 +1 22.69361794 +1 25.64633597 +1 0.1692 H( 1875 VAL 99) -7.54175166 +1 23.45418821 +1 24.19551031 +1 0.1542 H( 1876 VAL 99) -7.91788282 +1 24.12133818 +1 25.78662500 +1 0.1584 H( 1877 VAL 99) -5.39942024 +1 26.56033708 +1 24.34928489 +1 0.1583 H( 1878 VAL 99) -6.86941313 +1 25.89138372 +1 23.64624467 +1 0.1705 H( 1879 VAL 99) -6.88750941 +1 26.50508828 +1 25.29829227 +1 0.1882 H( 1880 SER*100) -6.09781182 +1 23.20887981 +1 28.41808856 +1 0.3072 H( 1881 SER*100) -8.02137900 +1 25.32086284 +1 29.33482192 +1 0.2041 H( 1882 SER 100) -7.43686530 +1 22.37211597 +1 30.23009980 +1 0.1405 H( 1883 SER 100) -8.79063226 +1 23.41876377 +1 30.81596753 +1 0.1628 H( 1884 SER 100) -8.43151664 +1 22.58684102 +1 28.10411737 +1 0.3424 H( 1885 ASP*101) -4.72403464 +1 24.43238493 +1 29.80905233 +1 0.3166 H( 1886 ASP*101) -4.42376482 +1 24.49413419 +1 32.64411607 +1 0.1907 H( 1887 ASP 101) -2.46222338 +1 25.40122699 +1 30.41515624 +1 0.1739 H( 1888 ASP 101) -2.86484661 +1 23.71202790 +1 30.68766396 +1 0.1801 H( 1889 GLY*102) -5.50336597 +1 27.25355692 +1 30.77571372 +1 0.2877 H( 1890 GLY*102) -4.21761972 +1 28.94657678 +1 32.91350037 +1 0.2269 H( 1891 GLY*102) -5.84668951 +1 29.17906041 +1 32.22937193 +1 0.1978 H( 1892 ASN*103) -2.82799498 +1 28.56092815 +1 30.21304356 +1 0.3051 H( 1893 ASN*103) -3.00527104 +1 31.48426379 +1 29.48330303 +1 0.2222 H( 1894 ASN 103) -0.78862235 +1 31.08119656 +1 28.45420856 +1 0.1838 H( 1895 ASN 103) -0.88628310 +1 29.33434933 +1 28.71815227 +1 0.1897 H( 1896 ASN 103) 0.35863572 +1 29.58326137 +1 32.04011143 +1 0.2855 H( 1897 ASN 103) 0.08290132 +1 28.57479723 +1 30.66982684 +1 0.3049 H( 1898 GLY*104) -4.54122849 +1 28.68697840 +1 28.40949495 +1 0.3093 H( 1899 GLY*104) -5.38405296 +1 29.97403223 +1 25.99645574 +1 0.2196 H( 1900 GLY*104) -5.64708204 +1 28.27502875 +1 26.47548306 +1 0.2039 H( 1901 MET*105) -4.75293162 +1 29.62517480 +1 23.82089701 +1 0.3388 H( 1902 MET*105) -2.82199937 +1 27.41651138 +1 23.26111856 +1 0.1850 H( 1903 MET 105) -2.93640127 +1 28.57193282 +1 20.89782305 +1 0.1842 H( 1904 MET 105) -4.20420379 +1 29.60836037 +1 21.53040688 +1 0.1835 H( 1905 MET 105) -4.39130876 +1 26.52968550 +1 21.85934776 +1 0.1588 H( 1906 MET 105) -5.69226120 +1 27.73280400 +1 22.03297195 +1 0.1890 H( 1907 MET 105) -2.87234857 +1 26.93543026 +1 19.34600347 +1 0.1758 H( 1908 MET 105) -3.77084888 +1 25.40074925 +1 19.52065236 +1 0.1787 H( 1909 MET 105) -3.90420222 +1 26.35483978 +1 18.02041508 +1 0.1721 H( 1910 ASN*106) -2.25787478 +1 30.41925219 +1 24.68324295 +1 0.3332 H( 1911 ASN*106) 0.04344277 +1 31.22650955 +1 23.05445101 +1 0.1911 H( 1912 ASN 106) 0.66220657 +1 32.44115154 +1 25.25266489 +1 0.1969 H( 1913 ASN 106) -0.72340345 +1 31.68310475 +1 26.04833213 +1 0.2237 H( 1914 ASN 106) -2.66506359 +1 32.79666341 +1 25.96513142 +1 0.3345 H( 1915 ASN 106) -3.05617795 +1 34.03940338 +1 24.84923056 +1 0.2746 H( 1916 ALA*107) -0.61440063 +1 28.51704460 +1 25.28269935 +1 0.3364 H( 1917 ALA*107) 2.03131015 +1 28.03116486 +1 26.19112118 +1 0.1841 H( 1918 ALA 107) 1.18777185 +1 25.74959821 +1 26.49804203 +1 0.1851 H( 1919 ALA 107) -0.06431638 +1 25.92125978 +1 25.25632496 +1 0.1818 H( 1920 ALA 107) -0.20854174 +1 26.79789413 +1 26.78204790 +1 0.2168 H( 1921 TRP*108) 0.65531894 +1 27.77833547 +1 22.85174478 +1 0.3287 H( 1922 TRP*108) 3.09792910 +1 26.21688320 +1 22.02500270 +1 0.1971 H( 1923 TRP 108) 1.84582209 +1 26.35091841 +1 19.76835917 +1 0.1786 H( 1924 TRP 108) 0.42985081 +1 27.00430059 +1 20.64471562 +1 0.1698 H( 1925 TRP 108) 2.65262330 +1 23.75918431 +1 20.37729201 +1 0.2032 H( 1926 TRP 108) 1.37721848 +1 21.79309297 +1 21.29329971 +1 0.2989 H( 1927 TRP 108) -1.41036724 +1 26.30549564 +1 22.26675004 +1 0.1521 H( 1928 TRP 108) -1.03051783 +1 21.32066181 +1 22.69812922 +1 0.1461 H( 1929 TRP 108) -3.18747844 +1 24.96988219 +1 23.42043894 +1 0.1475 H( 1930 TRP 108) -3.01065184 +1 22.52942129 +1 23.62251311 +1 0.1465 H( 1931 VAL*109) 4.82503888 +1 27.46303787 +1 21.67619326 +1 0.3585 H( 1932 VAL*109) 4.68103167 +1 30.35730065 +1 21.41960530 +1 0.1614 H( 1933 VAL 109) 6.86018091 +1 28.30424210 +1 20.51341457 +1 0.1669 H( 1934 VAL 109) 8.40227541 +1 30.31345832 +1 20.75431672 +1 0.1686 H( 1935 VAL 109) 7.26472200 +1 30.48288288 +1 19.42213951 +1 0.1523 H( 1936 VAL 109) 6.99057588 +1 31.37371877 +1 20.93301297 +1 0.1441 H( 1937 VAL 109) 7.91467752 +1 28.90884407 +1 22.71771890 +1 0.1734 H( 1938 VAL 109) 6.37885044 +1 28.10192533 +1 22.92553701 +1 0.1995 H( 1939 VAL 109) 6.49643088 +1 29.86671302 +1 23.17341769 +1 0.1108 H( 1940 ALA*110) 4.81687007 +1 27.77246778 +1 18.75226779 +1 0.3604 H( 1941 ALA*110) 5.17920370 +1 29.87530924 +1 16.73870124 +1 0.1603 H( 1942 ALA 110) 5.73806199 +1 27.51515704 +1 16.20129252 +1 0.2165 H( 1943 ALA 110) 4.15289677 +1 26.93865715 +1 16.65246648 +1 0.2075 H( 1944 ALA 110) 4.33368097 +1 27.96039318 +1 15.20412469 +1 0.1602 H( 1945 TRP*111) 2.26263559 +1 28.55476832 +1 18.45484525 +1 0.3186 H( 1946 TRP*111) 0.41388564 +1 29.65275400 +1 16.44634117 +1 0.1863 H( 1947 TRP 111) 0.09720132 +1 28.99773445 +1 19.49741611 +1 0.1952 H( 1948 TRP 111) -0.30691568 +1 27.92435495 +1 18.14710629 +1 0.1595 H( 1949 TRP 111) -2.50122145 +1 28.74639076 +1 16.52441901 +1 0.1753 H( 1950 TRP 111) -4.47953000 +1 30.27488414 +1 17.01110976 +1 0.3014 H( 1951 TRP 111) -0.75984332 +1 30.90928952 +1 20.85716189 +1 0.1530 H( 1952 TRP 111) -5.22755929 +1 32.15641364 +1 18.93746296 +1 0.1753 H( 1953 TRP 111) -2.21257651 +1 32.60160490 +1 21.98724640 +1 0.1530 H( 1954 TRP 111) -4.41998594 +1 33.18638692 +1 21.05519029 +1 0.1454 H( 1955 ARG*112) 1.83248716 +1 30.76488046 +1 19.65076169 +1 0.3376 H( 1956 ARG*112) 0.41486781 +1 33.28187268 +1 19.63089462 +1 0.1898 H( 1957 ARG 112) 3.28965077 +1 32.71408936 +1 20.67697060 +1 0.1686 H( 1958 ARG 112) 1.85704285 +1 32.03299949 +1 21.46183362 +1 0.1628 H( 1959 ARG 112) 2.08714799 +1 35.07504177 +1 20.94182399 +1 0.1834 H( 1960 ARG 112) 0.94051607 +1 34.23275708 +1 21.99493596 +1 0.1764 H( 1961 ARG 112) 3.89959779 +1 34.82512590 +1 22.39836751 +1 0.1481 H( 1962 ARG 112) 2.55442684 +1 34.98271635 +1 23.55474651 +1 0.1678 H( 1963 ARG 112) 2.41997013 +1 32.40532568 +1 23.55450824 +1 0.3249 H( 1964 ARG 112) 6.48042169 +1 32.98789891 +1 23.46029355 +1 0.2999 H( 1965 ARG 112) 5.44590171 +1 34.17416034 +1 22.77256646 +1 0.3085 H( 1966 ARG 112) 5.53006839 +1 30.79993454 +1 24.03728152 +1 0.3084 H( 1967 ARG 112) 3.82274828 +1 30.70699918 +1 24.33834671 +1 0.3506 H( 1968 ASN*113) 3.67936097 +1 32.37867254 +1 18.20331077 +1 0.3275 H( 1969 ASN*113) 3.96756787 +1 35.22359963 +1 17.37486044 +1 0.2182 H( 1970 ASN 113) 6.09526265 +1 34.28495523 +1 16.32023290 +1 0.2119 H( 1971 ASN 113) 5.65880118 +1 32.65706854 +1 16.88415553 +1 0.1775 H( 1972 ASN 113) 7.59347174 +1 33.53657899 +1 19.76479447 +1 0.2749 H( 1973 ASN 113) 7.39021694 +1 32.45614876 +1 18.46304945 +1 0.2765 H( 1974 ARG*114) 2.71024523 +1 32.27038990 +1 15.75105535 +1 0.3164 H( 1975 ARG*114) 2.84142138 +1 33.97988172 +1 13.25239913 +1 0.2149 H( 1976 ARG 114) 3.22552819 +1 31.82699849 +1 12.05655044 +1 0.1547 H( 1977 ARG 114) 3.00304509 +1 30.87764956 +1 13.53890206 +1 0.1730 H( 1978 ARG 114) 5.23782375 +1 32.98901286 +1 13.14707324 +1 0.1695 H( 1979 ARG 114) 4.99411145 +1 32.02944842 +1 14.60845374 +1 0.1637 H( 1980 ARG 114) 6.69009654 +1 30.89265620 +1 13.46415178 +1 0.1434 H( 1981 ARG 114) 5.20607459 +1 29.89028199 +1 13.29271978 +1 0.1535 H( 1982 ARG 114) 5.23532982 +1 31.62781470 +1 11.02491460 +1 0.3446 H( 1983 ARG 114) 7.83866302 +1 28.43155430 +1 11.01924017 +1 0.3046 H( 1984 ARG 114) 7.20780197 +1 28.96855743 +1 12.51225441 +1 0.3081 H( 1985 ARG 114) 7.19216691 +1 29.45548028 +1 8.95698136 +1 0.3292 H( 1986 ARG 114) 6.11920846 +1 30.82072697 +1 9.00079037 +1 0.3114 H( 1987 CYS*115) 0.57694455 +1 32.31546007 +1 15.36941931 +1 0.3237 H( 1988 CYS*115) -1.35638045 +1 32.38609278 +1 13.01837841 +1 0.2167 H( 1989 CYS 115) -1.39916677 +1 30.80817200 +1 15.72774409 +1 0.2122 H( 1990 CYS 115) -2.67757196 +1 30.75444423 +1 14.49027944 +1 0.1872 H( 1991 LYS*116) -0.85902281 +1 33.26095921 +1 16.52930220 +1 0.3319 H( 1992 LYS*116) -3.48340461 +1 34.07034432 +1 17.13794518 +1 0.1879 H( 1993 LYS 116) -0.77714192 +1 35.37204195 +1 17.96613777 +1 0.1784 H( 1994 LYS 116) -1.41648133 +1 33.85694005 +1 18.62849839 +1 0.1654 H( 1995 LYS 116) -2.83243537 +1 36.60647315 +1 18.81860996 +1 0.1708 H( 1996 LYS 116) -3.49436677 +1 35.07805268 +1 19.42104690 +1 0.1494 H( 1997 LYS 116) -0.86686305 +1 36.44051079 +1 20.32154722 +1 0.1569 H( 1998 LYS 116) -1.31927836 +1 34.79250025 +1 20.81707118 +1 0.1561 H( 1999 LYS 116) -2.95744379 +1 37.37156184 +1 21.36237832 +1 0.1965 H( 2000 LYS 116) -3.53425332 +1 35.72529612 +1 21.75071699 +1 0.1791 H( 2001 LYS 116) -1.04230924 +1 37.03217780 +1 22.88361928 +1 0.2903 H( 2002 LYS 116) -1.49997864 +1 35.42552360 +1 23.20480603 +1 0.2929 H( 2003 LYS 116) -2.46588233 +1 36.72369273 +1 23.71551285 +1 0.2517 H( 2004 GLY*117) -4.75861204 +1 35.67905973 +1 16.39124593 +1 0.3083 H( 2005 GLY*117) -3.69559889 +1 38.35150365 +1 15.78161780 +1 0.2205 H( 2006 GLY*117) -5.37749871 +1 37.80224753 +1 15.71714747 +1 0.2083 H( 2007 THR*118) -4.01590836 +1 35.45433828 +1 13.74879452 +1 0.3076 H( 2008 THR*118) -3.86956438 +1 37.33175163 +1 11.39132796 +1 0.2092 H( 2009 THR 118) -2.81995111 +1 35.36285390 +1 10.20913915 +1 0.1322 H( 2010 THR 118) -3.04232620 +1 33.80030172 +1 12.61920432 +1 0.3670 H( 2011 THR 118) -0.74276160 +1 35.06381780 +1 11.72475227 +1 0.1758 H( 2012 THR 118) -1.57998658 +1 35.84957050 +1 13.05641237 +1 0.1982 H( 2013 THR 118) -1.20920551 +1 36.77735816 +1 11.61036858 +1 0.1784 H( 2014 ASP*119) -4.88765129 +1 36.07368401 +1 9.35152566 +1 0.3166 H( 2015 ASP*119) -7.67489423 +1 35.43450423 +1 10.13598020 +1 0.1965 H( 2016 ASP 119) -6.14915645 +1 35.35802085 +1 7.41859230 +1 0.1689 H( 2017 ASP 119) -7.11656890 +1 36.69999815 +1 8.05609109 +1 0.1910 H( 2018 VAL*120) -7.14692923 +1 33.53147146 +1 11.55170555 +1 0.3315 H( 2019 VAL*120) -5.77947151 +1 31.25100933 +1 10.34468840 +1 0.1803 H( 2020 VAL 120) -6.67016402 +1 29.98058530 +1 12.32127270 +1 0.1250 H( 2021 VAL 120) -4.51039034 +1 31.17370110 +1 12.49443670 +1 0.1521 H( 2022 VAL 120) -5.37390294 +1 31.40822760 +1 14.02658848 +1 0.1686 H( 2023 VAL 120) -5.28659172 +1 32.71066845 +1 12.85164246 +1 0.1872 H( 2024 VAL 120) -7.98284075 +1 32.69647554 +1 13.06134518 +1 0.1732 H( 2025 VAL 120) -7.81802684 +1 31.34538325 +1 14.15109092 +1 0.1735 H( 2026 VAL 120) -8.83147307 +1 31.18321528 +1 12.71551701 +1 0.1530 H( 2027 GLN*121) -9.15917974 +1 32.31395134 +1 9.97401937 +1 0.3499 H( 2028 GLN*121) -10.27621092 +1 29.69344431 +1 9.49917280 +1 0.1794 H( 2029 GLN 121) -10.87254339 +1 32.38410060 +1 8.00610015 +1 0.2185 H( 2030 GLN 121) -11.39500415 +1 32.05922963 +1 9.66812521 +1 0.1646 H( 2031 GLN 121) -12.61973595 +1 29.93579087 +1 8.73124726 +1 0.1520 H( 2032 GLN 121) -13.29101385 +1 31.54707036 +1 8.40272954 +1 0.1906 H( 2033 GLN 121) -13.11269958 +1 29.37308400 +1 5.22699136 +1 0.2611 H( 2034 GLN 121) -13.35148140 +1 28.80867182 +1 6.81283622 +1 0.2663 H( 2035 ALA*122) -8.07293290 +1 31.76422765 +1 7.44932215 +1 0.3490 H( 2036 ALA*122) -8.48663489 +1 30.45677556 +1 4.99680831 +1 0.1735 H( 2037 ALA 122) -5.82966709 +1 31.50014712 +1 6.26644968 +1 0.1954 H( 2038 ALA 122) -6.12288707 +1 31.21539421 +1 4.53716509 +1 0.1667 H( 2039 ALA 122) -7.01991812 +1 32.46839961 +1 5.40919878 +1 0.2340 H( 2040 TRP*123) -6.84665479 +1 29.10738032 +1 7.94743679 +1 0.3478 H( 2041 TRP*123) -5.41272555 +1 27.07307292 +1 6.41293803 +1 0.1776 H( 2042 TRP 123) -5.37973356 +1 25.94396686 +1 8.76126013 +1 0.1674 H( 2043 TRP 123) -6.29072744 +1 27.33392136 +1 9.38866670 +1 0.1845 H( 2044 TRP 123) -4.91621609 +1 29.59630067 +1 9.83104913 +1 0.1892 H( 2045 TRP 123) -2.59003031 +1 30.45618279 +1 9.29695985 +1 0.3280 H( 2046 TRP 123) -3.27510714 +1 25.56275051 +1 7.09659684 +1 0.1290 H( 2047 TRP 123) -0.28911493 +1 29.50748090 +1 7.94645521 +1 0.1762 H( 2048 TRP 123) -0.94984897 +1 25.62995773 +1 6.17900256 +1 0.1372 H( 2049 TRP 123) 0.50624152 +1 27.57813737 +1 6.58574236 +1 0.1450 H( 2050 ILE*124) -8.87271614 +1 27.35796399 +1 7.36048047 +1 0.3456 H( 2051 ILE*124) -9.03448365 +1 24.41815012 +1 6.55668293 +1 0.1971 H( 2052 ILE 124) -11.26061634 +1 24.51369848 +1 7.65738132 +1 0.1455 H( 2053 ILE 124) -10.37963101 +1 27.31673556 +1 8.67295198 +1 0.1528 H( 2054 ILE 124) -11.53177562 +1 27.07075218 +1 7.37592847 +1 0.1468 H( 2055 ILE 124) -8.98612427 +1 25.44838052 +1 9.55313599 +1 0.1594 H( 2056 ILE 124) -9.10248890 +1 23.81660736 +1 8.88608659 +1 0.1467 H( 2057 ILE 124) -10.36346913 +1 24.43460856 +1 9.96020403 +1 0.1668 H( 2058 ILE 124) -11.87402093 +1 26.12665817 +1 10.28720004 +1 0.1491 H( 2059 ILE 124) -13.00760217 +1 25.72802933 +1 8.99253817 +1 0.1564 H( 2060 ILE 124) -12.75744203 +1 27.40547691 +1 9.46256306 +1 0.1503 H( 2061 ARG*125) -9.27064178 +1 27.51748207 +1 5.12293430 +1 0.3273 H( 2062 ARG*125) -11.74556083 +1 27.29833880 +1 3.83600260 +1 0.1752 H( 2063 ARG 125) -10.35267166 +1 29.29409074 +1 3.78953815 +1 0.2012 H( 2064 ARG 125) -10.86231173 +1 28.82793348 +1 2.17949984 +1 0.1661 H( 2065 ARG 125) -8.09901782 +1 28.09252995 +1 3.30478886 +1 0.1813 H( 2066 ARG 125) -8.41365483 +1 29.69742359 +1 2.58503209 +1 0.1802 H( 2067 ARG 125) -8.66450658 +1 26.95686878 +1 1.13993474 +1 0.1620 H( 2068 ARG 125) -9.22305351 +1 28.51343762 +1 0.43080294 +1 0.1693 H( 2069 ARG 125) -7.14472984 +1 28.75231796 +1 -0.33548837 +1 0.3043 H( 2070 ARG 125) -5.01731569 +1 27.42974794 +1 2.89633322 +1 0.3063 H( 2071 ARG 125) -6.63790970 +1 28.00617549 +1 3.14827435 +1 0.3654 H( 2072 ARG 125) -4.00019635 +1 27.65648837 +1 0.76415936 +1 0.3009 H( 2073 ARG 125) -4.95942017 +1 27.85962628 +1 -0.63139690 +1 0.2998 H( 2074 GLY*126) -12.55577461 +1 26.26230414 +1 2.05621949 +1 0.3015 H( 2075 GLY*126) -10.77534920 +1 24.75444750 +1 0.22771519 +1 0.1960 H( 2076 GLY*126) -12.53271608 +1 24.99136869 +1 0.10032698 +1 0.2116 H( 2077 CYS*127) -11.75828583 +1 23.88800168 +1 3.35560511 +1 0.3179 H( 2078 CYS*127) -11.57562049 +1 21.07821197 +1 2.42469752 +1 0.1854 H( 2079 CYS 127) -11.36519810 +1 20.59855309 +1 4.87922332 +1 0.2026 H( 2080 CYS 127) -11.79774559 +1 22.27517362 +1 5.30888186 +1 0.2189 H( 2081 ARG*128) -13.06967771 +1 19.42062643 +1 3.01226204 +1 0.2939 H( 2082 ARG*128) -15.90324117 +1 20.45437950 +1 3.29880866 +1 0.2086 H( 2083 ARG 128) -14.66229692 +1 17.70897252 +1 2.52675149 +1 0.1520 H( 2084 ARG 128) -15.22278495 +1 18.94239118 +1 1.35607935 +1 0.1468 H( 2085 ARG 128) -16.90556708 +1 17.29592687 +1 3.35530879 +1 0.1994 H( 2086 ARG 128) -17.58543104 +1 18.71113720 +1 2.55372286 +1 0.1764 H( 2087 ARG 128) -17.43267056 +1 17.83487087 +1 0.37608021 +1 0.1850 H( 2088 ARG 128) -18.00580410 +1 16.44079787 +1 1.36076809 +1 0.1759 H( 2089 ARG 128) -15.53241823 +1 15.76567313 +1 1.51968632 +1 0.3089 H( 2090 ARG 128) -15.82651367 +1 16.89401592 +1 -2.43334836 +1 0.3035 H( 2091 ARG 128) -16.96163737 +1 17.51229065 +1 -1.28213459 +1 0.3319 H( 2092 ARG 128) -14.02486488 +1 14.88196714 +1 -0.07986135 +1 0.2998 H( 2093 ARG 128) -14.16155202 +1 15.30463331 +1 -1.72803781 +1 0.3027 H( 2094 LEU*129) -16.24402100 +1 20.62739005 +1 5.57181414 +1 0.3178 H( 2095 LEU*129) -14.79108040 +1 18.58704801 +1 7.26252194 +1 0.1703 H( 2096 LEU 129) -15.53808966 +1 20.34057161 +1 9.11314771 +1 0.1308 H( 2097 LEU 129) -15.77665875 +1 21.45781102 +1 7.79287297 +1 0.1701 H( 2098 LEU 129) -13.59155935 +1 21.49007021 +1 9.22146365 +1 0.1066 H( 2099 LEU 129) -11.75868398 +1 20.03738437 +1 8.35089164 +1 0.1434 H( 2100 LEU 129) -13.07987154 +1 19.03149959 +1 8.94064934 +1 0.1432 H( 2101 LEU 129) -12.85213126 +1 19.27039612 +1 7.20087751 +1 0.1661 H( 2102 LEU 129) -12.26880127 +1 22.23530958 +1 7.17516346 +1 0.1357 H( 2103 LEU 129) -13.56719767 +1 21.57294270 +1 6.14640030 +1 0.1591 H( 2104 LEU 129) -13.90105908 +1 22.90591702 +1 7.22927621 +1 0.1781 H( 2105 HOH 130) 14.24001403 +1 15.54663669 +1 27.29963295 +1 0.3629 H( 2106 HOH 130) 13.06479896 +1 14.57453100 +1 26.86770009 +1 0.3716 H( 2107 HOH 131) 11.68972933 +1 12.39910316 +1 33.56022677 +1 0.3515 H( 2108 HOH 131) 11.65206622 +1 10.93919718 +1 33.03684317 +1 0.3350 H( 2109 HOH 132) 11.79878365 +1 12.38797756 +1 15.05488547 +1 0.3266 H( 2110 HOH 132) 10.57215614 +1 13.31621555 +1 14.90110131 +1 0.3430 H( 2111 HOH 133) 10.16714674 +1 13.36798031 +1 29.96217711 +1 0.3530 H( 2112 HOH 133) 10.33702284 +1 12.51804532 +1 31.25017806 +1 0.3479 H( 2113 HOH 134) 1.60706394 +1 36.12900955 +1 15.75518275 +1 0.3193 H( 2114 HOH 134) 0.06418987 +1 36.09673262 +1 15.63042578 +1 0.3392 H( 2115 HOH 135) -0.69947463 +1 10.36512441 +1 19.50757831 +1 0.3320 H( 2116 HOH 135) -1.71548823 +1 10.68603652 +1 18.36585173 +1 0.3502 H( 2117 HOH 136) -0.21084119 +1 11.47128022 +1 15.88855526 +1 0.3417 H( 2118 HOH 136) -0.14821010 +1 11.45770784 +1 17.43919681 +1 0.3346 H( 2119 HOH 137) 4.23361845 +1 22.13332226 +1 24.54687249 +1 0.3577 H( 2120 HOH 137) 3.02196933 +1 21.98882533 +1 25.47654625 +1 0.3452 H( 2121 HOH 138) -5.40152306 +1 18.67780105 +1 2.00680769 +1 0.3357 H( 2122 HOH 138) -6.16475907 +1 19.84290547 +1 1.33605275 +1 0.3252 H( 2123 HOH 139) -10.11021194 +1 31.80738789 +1 24.40816149 +1 0.3346 H( 2124 HOH 139) -10.58163496 +1 30.47159927 +1 23.80860429 +1 0.3283 H( 2125 HOH 140) 1.53494841 +1 17.07925617 +1 20.38229434 +1 0.3295 H( 2126 HOH 140) 2.63021802 +1 16.28488347 +1 19.63388345 +1 0.3615 H( 2127 HOH 141) -10.99595425 +1 29.56103589 +1 12.41986806 +1 0.3429 H( 2128 HOH 141) -12.04440892 +1 28.88937012 +1 11.51728314 +1 0.3246 H( 2129 HOH 142) 8.37184196 +1 13.39099865 +1 32.51794125 +1 0.3850 H( 2130 HOH 142) 8.36785707 +1 11.79064941 +1 32.70758784 +1 0.3515 H( 2131 HOH 143) 5.93100765 +1 11.75955525 +1 9.98252038 +1 0.3755 H( 2132 HOH 143) 5.90660433 +1 11.15242521 +1 8.54542345 +1 0.3336 H( 2133 HOH 144) 9.27472874 +1 22.50354210 +1 19.78032022 +1 0.3560 H( 2134 HOH 144) 8.82395742 +1 21.74713862 +1 18.49808871 +1 0.3425 H( 2135 HOH 145) 8.86746224 +1 27.91181295 +1 7.89053446 +1 0.3382 H( 2136 HOH 145) 7.61778478 +1 27.07629556 +1 8.25329348 +1 0.3410 H( 2137 HOH 146) 11.09539308 +1 5.97748440 +1 30.48271976 +1 0.3197 H( 2138 HOH 146) 10.48502009 +1 5.72976665 +1 31.89453108 +1 0.3512 H( 2139 HOH 147) -1.34550716 +1 26.60783221 +1 28.85602558 +1 0.3302 H( 2140 HOH 147) -2.60753587 +1 26.18894417 +1 28.06462641 +1 0.3331 H( 2141 HOH 148) -2.32808674 +1 7.91906419 +1 19.70627519 +1 0.3429 H( 2142 HOH 148) -3.12848775 +1 8.60391740 +1 18.56557065 +1 0.3423 H( 2143 HOH 149) -3.50296661 +1 12.45656557 +1 28.53571627 +1 0.3556 H( 2144 HOH 149) -3.89985377 +1 13.02104242 +1 27.14276148 +1 0.3567 H( 2145 HOH 150) 8.22105967 +1 24.12257742 +1 19.28262342 +1 0.3331 H( 2146 HOH 150) 6.80632691 +1 24.73455511 +1 19.27715495 +1 0.3576 H( 2147 HOH 151) 2.91642493 +1 24.51895582 +1 24.35646633 +1 0.3397 H( 2148 HOH 151) 2.70806917 +1 23.58848928 +1 23.14644587 +1 0.3342 H( 2149 HOH 152) 1.60731704 +1 34.45113450 +1 9.62842501 +1 0.3306 H( 2150 HOH 152) 1.40733960 +1 33.23728676 +1 10.58000860 +1 0.3669 H( 2151 HOH 153) 1.67547711 +1 13.20589740 +1 17.04348535 +1 0.3466 H( 2152 HOH 153) 0.36179717 +1 13.87014374 +1 17.49106349 +1 0.3598 H( 2153 HOH 154) -8.55709155 +1 13.87519005 +1 8.48334884 +1 0.3333 H( 2154 HOH 154) -8.13770287 +1 12.38881454 +1 8.35585359 +1 0.3241 H( 2155 HOH 155) -3.35043231 +1 32.69383671 +1 8.86551491 +1 0.3584 H( 2156 HOH 155) -2.79599790 +1 32.80179320 +1 10.34047687 +1 0.3614 H( 2157 HOH 156) 5.98401143 +1 25.38388492 +1 21.90277751 +1 0.3678 H( 2158 HOH 156) 5.10190053 +1 25.53981991 +1 23.15756225 +1 0.3367 H( 2159 HOH 157) -6.24643990 +1 32.71204464 +1 16.72436916 +1 0.3455 H( 2160 HOH 157) -6.99489826 +1 34.04968559 +1 16.94408496 +1 0.3303 H( 2161 HOH 158) 3.52621929 +1 10.22368492 +1 5.04083615 +1 0.3318 H( 2162 HOH 158) 2.01438166 +1 10.49766165 +1 4.97779692 +1 0.3368 H( 2163 HOH 159) 4.62858892 +1 33.79469048 +1 9.88626080 +1 0.3306 H( 2164 HOH 159) 3.42986049 +1 32.85139035 +1 9.61831788 +1 0.3571 H( 2165 HOH 160) -10.26593012 +1 33.27559951 +1 15.99035957 +1 0.3388 H( 2166 HOH 160) -8.87205132 +1 33.77647833 +1 15.51881564 +1 0.3414 H( 2167 HOH 161) -3.03768767 +1 12.46658642 +1 25.03802185 +1 0.3458 H( 2168 HOH 161) -3.68877524 +1 11.24210877 +1 25.74390920 +1 0.3339 H( 2169 HOH 162) -6.52124446 +1 9.81149550 +1 12.98013036 +1 0.3179 H( 2170 HOH 162) -7.01583714 +1 9.83879684 +1 14.43970432 +1 0.3339 H( 2171 HOH 163) 19.55113285 +1 10.04894341 +1 24.85919098 +1 0.3374 H( 2172 HOH 163) 18.58029431 +1 9.65507359 +1 25.98610479 +1 0.3384 H( 2173 HOH 164) -14.77903647 +1 18.93375776 +1 16.41936346 +1 0.3508 H( 2174 HOH 164) -15.36400529 +1 20.21989073 +1 17.10141223 +1 0.3382 H( 2175 HOH 165) 3.66806912 +1 19.46315684 +1 5.84711439 +1 0.3325 H( 2176 HOH 165) 2.78853363 +1 19.11094810 +1 4.62122812 +1 0.3312 H( 2177 HOH 166) 16.86750105 +1 19.56116844 +1 17.87764318 +1 0.3311 H( 2178 HOH 166) 16.34011728 +1 18.22077549 +1 17.32768861 +1 0.3284 H( 2179 HOH 167) 3.28009695 +1 6.80108282 +1 10.08116146 +1 0.3448 H( 2180 HOH 167) 4.19851208 +1 7.04648272 +1 11.30386681 +1 0.3481 H( 2181 HOH 168) -14.74907450 +1 32.53771002 +1 21.18995212 +1 0.3207 H( 2182 HOH 168) -13.66726209 +1 31.64867208 +1 20.54265027 +1 0.3364 H( 2183 HOH 169) 1.18883565 +1 17.34044149 +1 3.85083047 +1 0.3292 H( 2184 HOH 169) 0.62282956 +1 18.10830779 +1 5.05539128 +1 0.3483 H( 2185 HOH 170) 0.22651481 +1 39.06155533 +1 22.24820844 +1 0.3394 H( 2186 HOH 170) -0.02297519 +1 38.24144173 +1 20.96669299 +1 0.3550 H( 2187 HOH 171) 6.80147907 +1 23.16028757 +1 22.80322227 +1 0.3442 H( 2188 HOH 171) 5.58116550 +1 22.66541913 +1 21.99424402 +1 0.3511 H( 2189 HOH 172) -2.50579710 +1 39.14147669 +1 18.23927496 +1 0.3389 H( 2190 HOH 172) -3.77696101 +1 40.01535697 +1 18.13952741 +1 0.3222 H( 2191 HOH 173) 9.03754427 +1 18.31708501 +1 11.06060795 +1 0.3297 H( 2192 HOH 173) 7.53954121 +1 18.44972846 +1 10.73600089 +1 0.3472 H( 2193 HOH 174) 0.06370397 +1 7.43253329 +1 20.35788433 +1 0.3537 H( 2194 HOH 174) -0.46143881 +1 6.02976256 +1 19.86787360 +1 0.3491 H( 2195 HOH 175) -5.22492264 +1 16.34647295 +1 2.79446666 +1 0.3309 H( 2196 HOH 175) -6.69771452 +1 16.78408642 +1 2.77418055 +1 0.3323 H( 2197 HOH 176) 0.48222299 +1 32.80262741 +1 8.62741586 +1 0.3424 H( 2198 HOH 176) -1.00222605 +1 32.39317618 +1 8.37601783 +1 0.3492 H( 2199 HOH 177) -13.45013248 +1 24.62528449 +1 5.40796508 +1 0.3160 H( 2200 HOH 177) -14.52757012 +1 23.80820697 +1 4.66984857 +1 0.3335 H( 2201 HOH 178) 3.67198301 +1 28.62708989 +1 4.93277492 +1 0.3198 H( 2202 HOH 178) 2.57306912 +1 28.88754040 +1 5.96700177 +1 0.3423 H( 2203 HOH 179) -0.79208579 +1 24.48974942 +1 3.58407094 +1 0.3206 H( 2204 HOH 179) -0.81192188 +1 22.94984579 +1 3.56206064 +1 0.3219 H( 2205 HOH 180) -11.24326426 +1 17.52447937 +1 6.22890236 +1 0.3244 H( 2206 HOH 180) -12.57508348 +1 17.68980089 +1 5.41386090 +1 0.3528 H( 2207 HOH 181) 5.77076165 +1 23.79680830 +1 8.16911662 +1 0.3199 H( 2208 HOH 181) 5.33163188 +1 24.57297867 +1 9.41454315 +1 0.3431 H( 2209 HOH 182) -4.99766962 +1 33.31675626 +1 7.40408712 +1 0.3592 H( 2210 HOH 182) -3.70491940 +1 34.01745327 +1 6.90563424 +1 0.3188 H( 2211 HOH 183) -6.90796194 +1 35.61854241 +1 13.94810881 +1 0.3504 H( 2212 HOH 183) -6.26059391 +1 34.53738077 +1 14.84217123 +1 0.3248 H( 2213 HOH 184) 8.40496464 +1 4.34083012 +1 24.61112364 +1 0.3367 H( 2214 HOH 184) 7.44716807 +1 3.32622937 +1 23.94797759 +1 0.3400 H( 2215 HOH 185) 9.90254626 +1 12.12438253 +1 35.31556382 +1 0.3164 H( 2216 HOH 185) 9.92342413 +1 13.60722842 +1 35.71173518 +1 0.3524 H( 2217 HOH 186) -13.78125455 +1 15.46231645 +1 10.92595953 +1 0.3241 H( 2218 HOH 186) -15.06529827 +1 15.30971800 +1 10.07345402 +1 0.3255 H( 2219 HOH 187) -7.67488310 +1 15.94670973 +1 26.84457678 +1 0.3444 H( 2220 HOH 187) -8.87309637 +1 16.25511262 +1 27.77547920 +1 0.3225 H( 2221 HOH 188) -0.75929283 +1 20.31769945 +1 2.26652663 +1 0.3293 H( 2222 HOH 188) -0.59616015 +1 20.34067566 +1 3.78616020 +1 0.3388 H( 2223 HOH 189) 17.94975201 +1 7.40921598 +1 30.58400583 +1 0.3197 H( 2224 HOH 189) 16.66718945 +1 8.25957081 +1 30.53410293 +1 0.3255 H( 2225 HOH 190) -3.00528542 +1 33.17296432 +1 31.50003130 +1 0.3206 H( 2226 HOH 190) -4.49348179 +1 33.04247259 +1 31.15101665 +1 0.3325 H( 2227 HOH 191) 14.29166533 +1 26.20159557 +1 23.26641065 +1 0.3220 H( 2228 HOH 191) 15.05354375 +1 25.73465903 +1 22.01650532 +1 0.3227 H( 2229 HOH 192) 1.26079029 +1 26.61121184 +1 30.01540370 +1 0.3177 H( 2230 HOH 192) -0.07597391 +1 26.34618878 +1 30.77179163 +1 0.3834 H( 2231 HOH 193) -4.81422348 +1 9.14997966 +1 24.70852440 +1 0.3304 H( 2232 HOH 193) -5.24676342 +1 9.57171910 +1 26.12453283 +1 0.3369 H( 2233 HOH 194) -0.22206488 +1 38.41390996 +1 14.40627698 +1 0.3274 H( 2234 HOH 194) -1.65219378 +1 38.19623083 +1 14.91363153 +1 0.3345 H( 2235 HOH 195) -10.60394239 +1 10.88903239 +1 23.52615328 +1 0.3329 H( 2236 HOH 195) -10.84268000 +1 9.39050940 +1 23.80855301 +1 0.3281 H( 2237 HOH 196) 14.36598856 +1 25.69435385 +1 27.31972074 +1 0.3261 H( 2238 HOH 196) 13.35276195 +1 24.56769623 +1 27.61475135 +1 0.3302 H( 2239 HOH 197) -10.98848879 +1 19.92846509 +1 0.54904247 +1 0.3283 H( 2240 HOH 197) -10.82297405 +1 18.58713076 +1 -0.17175558 +1 0.3155 H( 2241 HOH 198) 8.29242119 +1 25.51285144 +1 15.94828634 +1 0.3403 H( 2242 HOH 198) 7.28975147 +1 25.48949282 +1 14.78653958 +1 0.3324 H( 2243 HOH 199) 4.95533972 +1 38.58279009 +1 18.34975297 +1 0.3269 H( 2244 HOH 199) 4.85407656 +1 37.13525725 +1 18.87470281 +1 0.3375 H( 2245 HOH 200) -0.46904425 +1 40.08210496 +1 17.96545538 +1 0.3304 H( 2246 HOH 200) -0.14245389 +1 38.59237985 +1 18.18411631 +1 0.3487 H( 2247 HOH 201) -3.50534630 +1 38.22854588 +1 9.14649773 +1 0.3325 H( 2248 HOH 201) -3.94872871 +1 37.76308681 +1 7.75318376 +1 0.3294 H( 2249 HOH 202) 10.06787400 +1 19.73396605 +1 5.89869401 +1 0.3315 H( 2250 HOH 202) 10.03067586 +1 19.98879774 +1 7.41524410 +1 0.3319 H( 2251 HOH 203) -13.95935064 +1 17.15935302 +1 24.79213385 +1 0.3593 H( 2252 HOH 203) -14.52023957 +1 17.30111270 +1 23.36322431 +1 0.3391 H( 2253 HOH 204) -7.40935872 +1 6.33867003 +1 18.05298327 +1 0.3570 H( 2254 HOH 204) -7.82437897 +1 5.50753795 +1 19.28809922 +1 0.3224 H( 2255 HOH 205) 18.20255498 +1 15.64485798 +1 30.77869797 +1 0.3161 H( 2256 HOH 205) 16.81954537 +1 15.39050247 +1 30.13929884 +1 0.3328 H( 2257 HOH 206) 4.06492787 +1 24.54070805 +1 27.89131019 +1 0.3491 H( 2258 HOH 206) 5.03236794 +1 23.46864237 +1 27.36803947 +1 0.3353 H( 2259 HOH 207) 8.73432568 +1 21.65836081 +1 12.23394611 +1 0.3460 H( 2260 HOH 207) 8.04209403 +1 23.02490391 +1 12.09818868 +1 0.3272 H( 2261 HOH 208) 8.61612264 +1 4.78117366 +1 30.27438759 +1 0.3383 H( 2262 HOH 208) 7.85767777 +1 3.44210348 +1 30.41701764 +1 0.3300 H( 2263 HOH 209) -0.16685380 +1 37.50127967 +1 25.78496154 +1 0.3323 H( 2264 HOH 209) -0.98701381 +1 36.35054693 +1 26.37823392 +1 0.3356 H( 2265 HOH 210) 14.39478564 +1 7.76931550 +1 32.79378220 +1 0.3319 H( 2266 HOH 210) 14.91327258 +1 6.93031560 +1 33.97794215 +1 0.3208 H( 2267 HOH 211) -16.88756524 +1 22.84090597 +1 4.59363429 +1 0.3305 H( 2268 HOH 211) -18.16897308 +1 22.18917547 +1 5.15439335 +1 0.3328 H( 2269 HOH 212) -15.58670184 +1 22.86339301 +1 20.52515505 +1 0.3435 H( 2270 HOH 212) -14.73926380 +1 21.61525927 +1 20.77968945 +1 0.3260 H( 2271 HOH 213) -7.06053556 +1 20.33912587 +1 31.99162975 +1 0.3622 H( 2272 HOH 213) -8.13836925 +1 19.64246013 +1 32.84226247 +1 0.3272 H( 2273 HOH 214) 11.21514308 +1 23.19405448 +1 29.27258949 +1 0.3458 H( 2274 HOH 214) 9.77773260 +1 22.77162669 +1 28.88656523 +1 0.3254 H( 2275 HOH 215) 2.37292558 +1 38.09152567 +1 18.53697769 +1 0.3511 H( 2276 HOH 215) 1.58117914 +1 36.78665152 +1 18.29171198 +1 0.3413 H( 2277 HOH 216) 8.70065032 +1 23.94703130 +1 22.95276127 +1 0.3466 H( 2278 HOH 216) 8.82411237 +1 22.78241612 +1 23.94093622 +1 0.3609 H( 2279 HOH 217) 4.53197232 +1 6.67953815 +1 18.57425554 +1 0.3276 H( 2280 HOH 217) 4.22199432 +1 5.17891394 +1 18.55711007 +1 0.3178 H( 2281 HOH 218) 1.21244224 +1 7.15499705 +1 6.93520836 +1 0.3239 H( 2282 HOH 218) 0.69515454 +1 6.02689919 +1 7.83402869 +1 0.3262 H( 2283 HOH 219) 0.67139843 +1 12.02200440 +1 34.87193752 +1 0.3388 H( 2284 HOH 219) 0.82188319 +1 10.71107764 +1 35.67737841 +1 0.3359 H( 2285 HOH 220) -14.77350755 +1 22.85914475 +1 25.02269061 +1 0.3448 H( 2286 HOH 220) -15.48082989 +1 24.21911939 +1 25.16034940 +1 0.3293 H( 2287 HOH 221) 11.38018412 +1 25.11665740 +1 30.95748190 +1 0.3165 H( 2288 HOH 221) 12.75944050 +1 24.45264230 +1 30.91766868 +1 0.3273 H( 2289 HOH 222) 9.46078888 +1 23.43040296 +1 16.68696639 +1 0.3417 H( 2290 HOH 222) 8.31499596 +1 23.10283243 +1 15.71591053 +1 0.3276 H( 2291 HOH 223) -7.39037378 +1 29.46948536 +1 28.76310036 +1 0.3448 H( 2292 HOH 223) -7.27018112 +1 28.00964198 +1 28.27452736 +1 0.3323 H( 2293 HOH 224) 3.36044806 +1 6.72088199 +1 31.34578156 +1 0.3301 H( 2294 HOH 224) 1.90188450 +1 6.93830010 +1 31.81139403 +1 0.3356 H( 2295 HOH 225) -3.98772056 +1 10.19525898 +1 11.37037762 +1 0.3459 H( 2296 HOH 225) -3.71506607 +1 8.70108645 +1 11.16668892 +1 0.3348 H( 2297 HOH 226) -8.77036226 +1 8.69621018 +1 15.93121151 +1 0.3430 H( 2298 HOH 226) -8.27997629 +1 7.71083213 +1 14.86656101 +1 0.3465 H( 2299 HOH 227) -5.19498951 +1 21.90062340 +1 31.75224410 +1 0.3546 H( 2300 HOH 227) -5.57278639 +1 22.23390573 +1 33.21576964 +1 0.3452 H( 2301 HOH 228) 5.60611173 +1 6.55326607 +1 29.29417608 +1 0.3151 H( 2302 HOH 228) 6.15580902 +1 5.57441965 +1 30.34842175 +1 0.3449 H( 2303 HOH 229) -6.37973186 +1 10.97645861 +1 7.15287938 +1 0.3551 H( 2304 HOH 229) -7.50917639 +1 10.14806699 +1 7.84076865 +1 0.3218 H( 2305 HOH 230) 9.60012805 +1 20.44849093 +1 14.39566856 +1 0.3527 H( 2306 HOH 230) 8.19669686 +1 21.08011644 +1 14.32569418 +1 0.3496 H( 2307 HOH 231) 7.79572770 +1 24.20373052 +1 26.28974669 +1 0.3291 H( 2308 HOH 231) 6.92935669 +1 23.87910118 +1 25.07449228 +1 0.3510 H( 2309 HOH 232) 5.66612813 +1 9.92562733 +1 35.05579200 +1 0.3429 H( 2310 HOH 232) 4.86378803 +1 8.65227407 +1 35.41840052 +1 0.3306 H( 2311 HOH 233) 5.35128813 +1 25.72660172 +1 26.36306925 +1 0.3325 H( 2312 HOH 233) 3.98584846 +1 26.34070146 +1 25.95738989 +1 0.3444 H( 2313 HOH 234) -3.29139037 +1 6.90564518 +1 6.51232004 +1 0.3325 H( 2314 HOH 234) -3.10062768 +1 8.18359222 +1 5.67324429 +1 0.3365 H( 2315 HOH 235) -2.85065782 +1 9.62659787 +1 29.65795171 +1 0.3425 H( 2316 HOH 235) -3.61826280 +1 8.31961197 +1 29.88858347 +1 0.3256 H( 2317 HOH 236) 4.62810678 +1 5.29792892 +1 22.54937697 +1 0.3463 H( 2318 HOH 236) 4.04431091 +1 3.91561616 +1 22.94459009 +1 0.3228 H( 2319 HOH 237) 2.79580732 +1 4.69044577 +1 21.06588548 +1 0.3432 H( 2320 HOH 237) 1.56792800 +1 3.83895529 +1 20.68483996 +1 0.3207 H( 2321 HOH 238) -2.13852010 +1 5.86555061 +1 17.94756131 +1 0.3216 H( 2322 HOH 238) -2.96335038 +1 4.69038439 +1 18.51444853 +1 0.3284 H( 2323 HOH 239) -10.75751948 +1 32.49241788 +1 12.70519384 +1 0.3350 H( 2324 HOH 239) -11.95299567 +1 32.50909203 +1 13.68297682 +1 0.3380 H( 2325 HOH 240) -9.52814293 +1 34.32550238 +1 9.86587760 +1 0.3853 H( 2326 HOH 240) -10.78868364 +1 34.12711884 +1 10.74374952 +1 0.3208 H( 2327 HOH 241) 2.46384732 +1 5.03815617 +1 14.98026424 +1 0.3381 H( 2328 HOH 241) 1.30203146 +1 4.05930031 +1 14.74553796 +1 0.3351 H( 2329 HOH 242) -14.98920357 +1 28.71154607 +1 18.48817858 +1 0.3509 H( 2330 HOH 242) -14.60777835 +1 29.71443436 +1 19.61221465 +1 0.3321 H( 2331 HOH 243) -12.83531875 +1 33.69309024 +1 15.88185380 +1 0.3351 H( 2332 HOH 243) -12.52839085 +1 32.37778130 +1 16.60704118 +1 0.3348 H( 2333 HOH 244) -2.92394669 +1 23.16859002 +1 0.56510944 +1 0.3359 H( 2334 HOH 244) -3.15264826 +1 21.96015350 +1 1.49837868 +1 0.3371 H( 2335 HOH 245) -11.57020036 +1 12.43685938 +1 20.29979918 +1 0.3260 H( 2336 HOH 245) -12.98437594 +1 11.91727410 +1 20.53930514 +1 0.3214 H( 2337 HOH 246) -19.17072571 +1 19.19807329 +1 -0.65255586 +1 0.3363 H( 2338 HOH 246) -19.71705276 +1 17.76088477 +1 -0.59207064 +1 0.3370 H( 2339 HOH 247) -19.79348706 +1 19.50043519 +1 22.32445744 +1 0.3167 H( 2340 HOH 247) -20.30642787 +1 18.20545213 +1 22.96084459 +1 0.3176 H( 2341 HOH 248) 1.95219591 +1 31.91486581 +1 5.88298739 +1 0.3233 H( 2342 HOH 248) 0.81946540 +1 31.31273172 +1 6.72652679 +1 0.3537 H( 2343 HOH 249) -1.94188425 +1 27.78780768 +1 3.06183802 +1 0.3288 H( 2344 HOH 249) -2.58818828 +1 27.13398580 +1 4.28467171 +1 0.3366 H( 2345 HOH 250) -8.79220828 +1 20.35719306 +1 29.57889741 +1 0.3250 H( 2346 HOH 250) -8.91916540 +1 19.18212814 +1 30.55629010 +1 0.3444 H( 2347 HOH 251) -12.03540179 +1 18.50689079 +1 27.13933264 +1 0.3401 H( 2348 HOH 251) -12.51795057 +1 17.21022740 +1 27.82373435 +1 0.3239 H( 2349 HOH 252) -16.27613165 +1 10.24665512 +1 15.92255473 +1 0.3524 H( 2350 HOH 252) -16.40661401 +1 8.73504087 +1 15.65442314 +1 0.3279 H( 2351 HOH 253) -16.84615618 +1 12.54689537 +1 16.77558571 +1 0.3341 H( 2352 HOH 253) -18.23764427 +1 11.88321581 +1 16.80086941 +1 0.3296 H( 2353 HOH 254) -14.45669120 +1 18.42902483 +1 26.44989424 +1 0.3362 H( 2354 HOH 254) -15.90463452 +1 18.00115533 +1 26.10783108 +1 0.3303 H( 2355 HOH 255) -3.87140056 +1 11.81524387 +1 30.69125513 +1 0.3403 H( 2356 HOH 255) -5.11311665 +1 10.97258104 +1 30.99620644 +1 0.3387 H( 2357 HOH 256) -10.70198470 +1 10.22653780 +1 21.28913491 +1 0.3335 H( 2358 HOH 256) -10.95320902 +1 9.71774811 +1 19.84921497 +1 0.3455 H( 2359 HOH 257) -9.16535768 +1 8.10502524 +1 19.06839808 +1 0.3482 H( 2360 HOH 257) -10.21515040 +1 6.98983225 +1 19.06080814 +1 0.3330 H( 2361 HOH 258) -15.59070565 +1 16.69789652 +1 5.93895282 +1 0.3269 H( 2362 HOH 258) -16.98243906 +1 16.29569703 +1 6.43493549 +1 0.3477 H( 2363 HOH 259) 0.28466183 +1 22.80065528 +1 34.68318546 +1 0.3171 H( 2364 HOH 259) -1.18312087 +1 22.62062257 +1 34.32913971 +1 0.3735 H( 2365 HOH 260) 2.43285196 +1 13.58102655 +1 37.09768256 +1 0.3406 H( 2366 HOH 260) 1.75954995 +1 14.81678203 +1 36.49613815 +1 0.3244 H( 2367 HOH 261) 10.89199983 +1 6.67489579 +1 33.73283865 +1 0.3471 H( 2368 HOH 261) 10.91372660 +1 5.16691205 +1 34.10372273 +1 0.3315 H( 2369 HOH 262) -1.62887953 +1 6.53702623 +1 21.59772875 +1 0.3343 H( 2370 HOH 262) -1.82061287 +1 5.21236756 +1 22.36752267 +1 0.3165 H( 2371 HOH 263) -10.32418788 +1 29.88075608 +1 26.32154965 +1 0.3380 H( 2372 HOH 263) -10.03001143 +1 30.68927922 +1 27.59158931 +1 0.3451 H( 2373 HOH 264) 7.06829932 +1 12.22566814 +1 34.54416432 +1 0.3478 H( 2374 HOH 264) 6.84377398 +1 12.19992575 +1 36.07024577 +1 0.3269 H( 2375 HOH 265) 10.30980872 +1 8.57656115 +1 34.62678199 +1 0.3235 H( 2376 HOH 265) 10.01162392 +1 9.02583967 +1 33.17259854 +1 0.3409 H( 2377 HOH 266) -1.85962897 +1 40.70339019 +1 14.07769250 +1 0.3246 H( 2378 HOH 266) -3.32097431 +1 40.73936860 +1 13.61779810 +1 0.3198 H( 2379 HOH 267) -15.87688461 +1 21.23072529 +1 23.33363770 +1 0.3444 H( 2380 HOH 267) -15.84039851 +1 20.16619008 +1 24.46518311 +1 0.3291 H( 2381 HOH 268) -9.98465177 +1 28.18128571 +1 29.59983623 +1 0.3534 H( 2382 HOH 268) -8.87613319 +1 27.43080518 +1 30.36526246 +1 0.3568 H( 2383 HOH 269) 18.44130820 +1 16.08373447 +1 21.57173415 +1 0.3373 H( 2384 HOH 269) 19.05127158 +1 14.66767806 +1 21.64358673 +1 0.3286 H( 2385 HOH 270) 12.79934834 +1 12.22517298 +1 38.60643380 +1 0.3357 H( 2386 HOH 270) 11.89930454 +1 12.27077520 +1 37.34885527 +1 0.3269 H( 2387 HOH 271) 14.29615756 +1 15.33582144 +1 18.42870433 +1 0.3220 H( 2388 HOH 271) 14.03090865 +1 13.84204629 +1 18.38769142 +1 0.3363