SUMMARY OF PM6 CALCULATION, Site No: 6578 MOPAC2012 (Version: 12.112M) Tue Apr 24 13:23:18 2012 No. of days left = 363 Empirical Formula: C684 H1263 N179 O309 S13 = 2448 atoms CUTOFF=6 SETUP PM6 LET GNORM=10 PDBOUT PL MOZYME NOOPT OPT-H pheromone_binding_protein_(1DQE)(Ref) HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -14943.78215 KCAL/MOL = -62524.78453 KJ/MOL TOTAL ENERGY = -225554.35402 EV ELECTRONIC ENERGY = -22263530.95607 EV CORE-CORE REPULSION = 22037976.60205 EV GRADIENT NORM = 9.79268 DIPOLE = 40.13146 DEBYE NO. OF FILLED LEVELS = 3413 MOLECULAR WEIGHT = 17356.296 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 2309 H 2354 43.89730 H 2182 H 1979 42.86670 H 2128 H 1327 32.54896 SCF CALCULATIONS = 29 COMPUTATION TIME = 45 MINUTES AND 8.570 SECONDS FINAL GEOMETRY OBTAINED CHARGE *HEADER TRANSPORT PROTEIN 04-JAN-00 1DQE *TITLE BOMBYX MORI PHEROMONE BINDING PROTEIN *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: PHEROMONE-BINDING PROTEIN; *COMPND 3 CHAIN: A, B; *COMPND 4 SYNONYM: PBP; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: BOMBYX MORI; *SOURCE 3 ORGANISM_COMMON: DOMESTIC SILKWORM; *SOURCE 4 ORGANISM_TAXID: 7091; *SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; *SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 *KEYWDS HELICAL BUNDLE, TRANSPORT PROTEIN *EXPDTA X-RAY DIFFRACTION *AUTHOR B.H.SANDLER,L.NIKONOVA,W.S.LEAL,J.CLARDY *REVDAT 3 24-FEB-09 1DQE 1 VERSN *REVDAT 2 01-APR-03 1DQE 1 JRNL *REVDAT 1 10-JAN-01 1DQE 0 *JRNL AUTH B.H.SANDLER,L.NIKONOVA,W.S.LEAL,J.CLARDY *JRNL TITL SEXUAL ATTRACTION IN THE SILKWORM MOTH: STRUCTURE *JRNL TITL 2 OF THE PHEROMONE-BINDING-PROTEIN-BOMBYKOL COMPLEX. *JRNL REF CHEM.BIOL. V. 7 143 2000 *JRNL REFN ISSN 1074-5521 *JRNL PMID 10662696 *JRNL DOI 10.1016/S1074-5521(00)00078-8 *REMARK 1 *REMARK 2 *REMARK 2 RESOLUTION. 1.80 ANGSTROMS. *REMARK 3 *REMARK 3 REFINEMENT. *REMARK 3 PROGRAM : REFMAC *REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON *REMARK 3 *REMARK 3 DATA USED IN REFINEMENT. *REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 *REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 30.00 *REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 *REMARK 3 COMPLETENESS FOR RANGE (%) : 99.6 *REMARK 3 NUMBER OF REFLECTIONS : 26466 *REMARK 3 *REMARK 3 FIT TO DATA USED IN REFINEMENT. *REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT *REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM *REMARK 3 R VALUE (WORKING + TEST SET) : NULL *REMARK 3 R VALUE (WORKING SET) : 0.210 *REMARK 3 FREE R VALUE : 0.273 *REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 *REMARK 3 FREE R VALUE TEST SET COUNT : 1330 *REMARK 3 *REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. *REMARK 3 PROTEIN ATOMS : 2140 *REMARK 3 NUCLEIC ACID ATOMS : 0 *REMARK 3 HETEROGEN ATOMS : 34 *REMARK 3 SOLVENT ATOMS : 203 *REMARK 3 *REMARK 3 B VALUES. *REMARK 3 FROM WILSON PLOT (A**2) : 19.74 *REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL *REMARK 3 OVERALL ANISOTROPIC B VALUE. *REMARK 3 B11 (A**2) : NULL *REMARK 3 B22 (A**2) : NULL *REMARK 3 B33 (A**2) : NULL *REMARK 3 B12 (A**2) : NULL *REMARK 3 B13 (A**2) : NULL *REMARK 3 B23 (A**2) : NULL *REMARK 3 *REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. *REMARK 3 ESU BASED ON R VALUE (A): NULL *REMARK 3 ESU BASED ON FREE R VALUE (A): NULL *REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL *REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL *REMARK 3 *REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. *REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA *REMARK 3 BOND LENGTH (A) : 2.400 ; NULL *REMARK 3 ANGLE DISTANCE (A) : 0.012 ; NULL *REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL *REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL *REMARK 3 *REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL *REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL *REMARK 3 *REMARK 3 NON-BONDED CONTACT RESTRAINTS. *REMARK 3 SINGLE TORSION (A) : NULL ; NULL *REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL *REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL *REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL *REMARK 3 *REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. *REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL *REMARK 3 PLANAR (DEGREES) : NULL ; NULL *REMARK 3 STAGGERED (DEGREES) : NULL ; NULL *REMARK 3 TRANSVERSE (DEGREES) : NULL ; 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 OTHER REFINEMENT REMARKS: NULL *REMARK 4 *REMARK 4 1DQE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 *REMARK 100 *REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JAN-00. *REMARK 100 THE RCSB ID CODE IS RCSB010291. *REMARK 200 *REMARK 200 EXPERIMENTAL DETAILS *REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION *REMARK 200 DATE OF DATA COLLECTION : 06-MAY-99 *REMARK 200 TEMPERATURE (KELVIN) : 100 *REMARK 200 PH : 8.2 *REMARK 200 NUMBER OF CRYSTALS USED : 1 *REMARK 200 *REMARK 200 SYNCHROTRON (Y/N) : Y *REMARK 200 RADIATION SOURCE : CHESS *REMARK 200 BEAMLINE : A1 *REMARK 200 X-RAY GENERATOR MODEL : NULL *REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M *REMARK 200 WAVELENGTH OR RANGE (A) : 0.9134 *REMARK 200 MONOCHROMATOR : NULL *REMARK 200 OPTICS : NULL *REMARK 200 *REMARK 200 DETECTOR TYPE : CCD *REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4 *REMARK 200 INTENSITY-INTEGRATION SOFTWARE : MOSFLM *REMARK 200 DATA SCALING SOFTWARE : CCP4 (SCALA) *REMARK 200 *REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 26466 *REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 *REMARK 200 RESOLUTION RANGE LOW (A) : 32.400 *REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 *REMARK 200 *REMARK 200 OVERALL. *REMARK 200 COMPLETENESS FOR RANGE (%) : 99.6 *REMARK 200 DATA REDUNDANCY : 5.100 *REMARK 200 R MERGE (I) : 0.06100 *REMARK 200 R SYM (I) : NULL *REMARK 200 FOR THE DATA SET : 9.2000 *REMARK 200 *REMARK 200 IN THE HIGHEST RESOLUTION SHELL. *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80 *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.90 *REMARK 200 COMPLETENESS FOR SHELL (%) : 99.9 *REMARK 200 DATA REDUNDANCY IN SHELL : 3.50 *REMARK 200 R MERGE FOR SHELL (I) : 0.26400 *REMARK 200 R SYM FOR SHELL (I) : NULL *REMARK 200 FOR SHELL : NULL *REMARK 200 *REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH *REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL *REMARK 200 SOFTWARE USED: SHARP *REMARK 200 STARTING MODEL: NULL *REMARK 200 *REMARK 200 REMARK: NULL *REMARK 280 *REMARK 280 CRYSTAL *REMARK 280 SOLVENT CONTENT, VS (%): 44.12 *REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.20 *REMARK 280 *REMARK 280 CRYSTALLIZATION CONDITIONS: PEG20000, TRIS, PH 8.2, VAPOR *REMARK 280 DIFFUSION, HANGING DROP, TEMPERATURE 298K *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY *REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 *REMARK 290 *REMARK 290 SYMOP SYMMETRY *REMARK 290 NNNMMM OPERATOR *REMARK 290 1555 X,Y,Z *REMARK 290 2555 -X,-Y,Z+1/2 *REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 *REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 *REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 *REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 *REMARK 290 7555 Y,X,-Z *REMARK 290 8555 -Y,-X,-Z+1/2 *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 95.77000 *REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 26.59000 *REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 26.59000 *REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 47.88500 *REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 26.59000 *REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 26.59000 *REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 143.65500 *REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 26.59000 *REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 26.59000 *REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 47.88500 *REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 26.59000 *REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 26.59000 *REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 143.65500 *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 95.77000 *REMARK 290 *REMARK 290 REMARK: NULL *REMARK 300 *REMARK 300 BIOMOLECULE: 1 *REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM *REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN *REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON *REMARK 300 BURIED SURFACE AREA. *REMARK 350 *REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN *REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE *REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS *REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND *REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. *REMARK 350 *REMARK 350 BIOMOLECULE: 1 *REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC *REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B *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 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 PROTEIN: ENGH AND HUBER, 1999 *REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 *REMARK 500 *REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 *REMARK 500 PHE A 12 CB - CG - CD1 ANGL. DEV. = -5.2 DEGREES *REMARK 500 ASP A 83 CB - CG - OD1 ANGL. DEV. = 6.3 DEGREES *REMARK 500 ALA A 82 O - C - N ANGL. DEV. = 9.9 DEGREES *REMARK 500 LEU B 16 O - C - N ANGL. DEV. = 10.2 DEGREES *REMARK 500 THR B 24 N - CA - CB ANGL. DEV. = -12.9 DEGREES *REMARK 500 THR B 24 C - N - CA ANGL. DEV. = 43.2 DEGREES *REMARK 500 LEU B 25 O - C - N ANGL. DEV. = 10.4 DEGREES *REMARK 500 ASP B 27 CB - CG - OD1 ANGL. DEV. = 6.8 DEGREES *REMARK 500 ASP B 32 CB - CG - OD1 ANGL. DEV. = 9.4 DEGREES *REMARK 500 PHE B 33 CB - CG - CD2 ANGL. DEV. = -6.4 DEGREES *REMARK 500 PHE B 33 CB - CG - CD1 ANGL. DEV. = 5.3 DEGREES *REMARK 500 ARG B 46 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES *REMARK 500 ARG B 46 NE - CZ - NH2 ANGL. DEV. = -3.1 DEGREES *REMARK 500 ALA B 51 O - C - N ANGL. DEV. = 15.8 DEGREES *REMARK 500 LEU B 55 O - C - N ANGL. DEV. = 15.9 DEGREES *REMARK 500 PHE B 76 CB - CG - CD2 ANGL. DEV. = -5.5 DEGREES *REMARK 500 ASP B 105 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES *REMARK 500 GLU B 137 CB - CA - C ANGL. DEV. = -14.5 DEGREES *REMARK 500 *REMARK 500 REMARK: NULL *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: TORSION ANGLES *REMARK 500 *REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: *REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; *REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). *REMARK 500 *REMARK 500 STANDARD TABLE: *REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) *REMARK 500 *REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- *REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 *REMARK 500 *REMARK 500 M RES CSSEQI PSI PHI *REMARK 500 MET B 23 -155.47 -93.50 *REMARK 500 LYS B 44 -18.54 -143.19 *REMARK 500 ASN B 60 35.79 76.70 *REMARK 500 *REMARK 500 REMARK: NULL *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS *REMARK 500 *REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH *REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED *REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND *REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. *REMARK 500 MODEL OMEGA *REMARK 500 THR B 24 LEU B 25 -141.54 *REMARK 500 *REMARK 500 REMARK: NULL *REMARK 525 *REMARK 525 SOLVENT *REMARK 525 *REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT *REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST *REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT *REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE *REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; *REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE *REMARK 525 NUMBER; I=INSERTION CODE): *REMARK 525 *REMARK 525 M RES CSSEQI *REMARK 525 HOH A 391 DISTANCE = 6.84 ANGSTROMS *REMARK 800 *REMARK 800 SITE *REMARK 800 SITE_IDENTIFIER: AC1 *REMARK 800 EVIDENCE_CODE: SOFTWARE *REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BOM A 300 *REMARK 800 SITE_IDENTIFIER: AC2 *REMARK 800 EVIDENCE_CODE: SOFTWARE *REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE BOM B 400 *DBREF 1DQE A 1 137 UNP P34174 PBP_BOMMO 23 159 *DBREF 1DQE B 1 137 UNP P34174 PBP_BOMMO 23 159 *SEQRES 1 A 137 SER GLN GLU VAL MET LYS ASN LEU SER LEU ASN PHE GLY *SEQRES 2 A 137 LYS ALA LEU ASP GLU CYS LYS LYS GLU MET THR LEU THR *SEQRES 3 A 137 ASP ALA ILE ASN GLU ASP PHE TYR ASN PHE TRP LYS GLU *SEQRES 4 A 137 GLY TYR GLU ILE LYS ASN ARG GLU THR GLY CYS ALA ILE *SEQRES 5 A 137 MET CYS LEU SER THR LYS LEU ASN MET LEU ASP PRO GLU *SEQRES 6 A 137 GLY ASN LEU HIS HIS GLY ASN ALA MET GLU PHE ALA LYS *SEQRES 7 A 137 LYS HIS GLY ALA ASP GLU THR MET ALA GLN GLN LEU ILE *SEQRES 8 A 137 ASP ILE VAL HIS GLY CYS GLU LYS SER THR PRO ALA ASN *SEQRES 9 A 137 ASP ASP LYS CYS ILE TRP THR LEU GLY VAL ALA THR CYS *SEQRES 10 A 137 PHE LYS ALA GLU ILE HIS LYS LEU ASN TRP ALA PRO SER *SEQRES 11 A 137 MET ASP VAL ALA VAL GLY GLU *SEQRES 1 B 137 SER GLN GLU VAL MET LYS ASN LEU SER LEU ASN PHE GLY *SEQRES 2 B 137 LYS ALA LEU ASP GLU CYS LYS LYS GLU MET THR LEU THR *SEQRES 3 B 137 ASP ALA ILE ASN GLU ASP PHE TYR ASN PHE TRP LYS GLU *SEQRES 4 B 137 GLY TYR GLU ILE LYS ASN ARG GLU THR GLY CYS ALA ILE *SEQRES 5 B 137 MET CYS LEU SER THR LYS LEU ASN MET LEU ASP PRO GLU *SEQRES 6 B 137 GLY ASN LEU HIS HIS GLY ASN ALA MET GLU PHE ALA LYS *SEQRES 7 B 137 LYS HIS GLY ALA ASP GLU THR MET ALA GLN GLN LEU ILE *SEQRES 8 B 137 ASP ILE VAL HIS GLY CYS GLU LYS SER THR PRO ALA ASN *SEQRES 9 B 137 ASP ASP LYS CYS ILE TRP THR LEU GLY VAL ALA THR CYS *SEQRES 10 B 137 PHE LYS ALA GLU ILE HIS LYS LEU ASN TRP ALA PRO SER *SEQRES 11 B 137 MET ASP VAL ALA VAL GLY GLU *HET BOM A 300 17 *HET BOM B 400 17 *HETNAM BOM HEXADECA-10,12-DIEN-1-OL *HETSYN BOM BOMBYKOL *FORMUL 3 BOM 2(C16 H30 O) *FORMUL 5 HOH *203(H2 O) *HELIX 1 1 SER A 1 LYS A 14 1 14 *HELIX 2 2 ALA A 15 MET A 23 1 9 *HELIX 3 3 ALA A 28 ASN A 35 1 8 *HELIX 4 4 ASN A 45 LEU A 59 1 15 *HELIX 5 5 HIS A 69 HIS A 80 1 12 *HELIX 6 6 ASP A 83 THR A 101 1 19 *HELIX 7 7 ASP A 106 LEU A 125 1 20 *HELIX 8 8 SER B 1 GLY B 13 1 13 *HELIX 9 9 ALA B 15 MET B 23 1 9 *HELIX 10 10 THR B 26 ALA B 28 5 3 *HELIX 11 11 ILE B 29 ASN B 35 1 7 *HELIX 12 12 ASN B 45 LEU B 59 1 15 *HELIX 13 13 HIS B 69 HIS B 80 1 12 *HELIX 14 14 ASP B 83 THR B 101 1 19 *HELIX 15 15 ASP B 106 LEU B 125 1 20 *SSBOND 1 CYS A 19 CYS A 54 1555 1555 2.12 *SSBOND 2 CYS A 50 CYS A 108 1555 1555 2.11 *SSBOND 3 CYS A 97 CYS A 117 1555 1555 2.13 *SSBOND 4 CYS B 19 CYS B 54 1555 1555 2.04 *SSBOND 5 CYS B 50 CYS B 108 1555 1555 2.11 *SSBOND 6 CYS B 97 CYS B 117 1555 1555 2.09 *SITE 1 AC1 3 PHE A 12 SER A 56 HOH A 338 *SITE 1 AC2 5 PHE B 12 SER B 56 MET B 61 LEU B 68 *SITE 2 AC2 5 PHE B 118 *CRYST1 53.180 53.180 191.540 90.00 90.00 90.00 P 41 21 2 16 *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 0.018804 0.000000 0.000000 0.00000 *SCALE2 0.000000 0.018804 0.000000 0.00000 *SCALE3 0.000000 0.000000 0.005221 0.00000 CUTOFF=6 SETUP PM6 LET GNORM=10 PDBOUT PL MOZYME NOOPT OPT-H pheromone_binding_protein_(1DQE)(Ref) N( 1 SER* 1) 5.30500000 +0 39.38000100 +0 23.60300100 +0 -0.5111 C( 2 SER* 1) 4.32300000 +0 38.40499900 +0 23.03900000 +0 -0.1133 C( 3 SER* 1) 3.18000000 +0 39.07000000 +0 22.29400100 +0 0.6315 O( 4 SER* 1) 2.53300000 +0 39.94300100 +0 22.80699900 +0 -0.6415 C( 5 SER 1) 3.72700000 +0 37.66099900 +0 24.23300000 +0 -0.0597 O( 6 SER 1) 2.45700000 +0 37.11100000 +0 24.10800000 +0 -0.5878 N( 7 GLN* 2) 2.81000000 +0 38.57899900 +0 21.10100000 +0 -0.5148 C( 8 GLN* 2) 1.65400000 +0 39.05899800 +0 20.35600100 +0 -0.0301 C( 9 GLN* 2) 0.40500000 +0 38.72499800 +0 21.09300000 +0 0.5572 O( 10 GLN* 2) -0.44900000 +0 39.59199900 +0 21.10400000 +0 -0.6162 C( 11 GLN 2) 1.56500000 +0 38.39899800 +0 18.92400000 +0 -0.2540 C( 12 GLN 2) 2.74900000 +0 38.95399900 +0 18.09600100 +0 -0.4234 C( 13 GLN 2) 2.91200000 +0 38.22700100 +0 16.74700000 +0 0.6324 O( 14 GLN 2) 1.93800000 +0 37.60699800 +0 16.32099900 +0 -0.7096 N( 15 GLN 2) 4.09500000 +0 38.37799800 +0 16.19199900 +0 -0.5035 N( 16 GLU* 3) 0.35200000 +0 37.52899900 +0 21.73900000 +0 -0.4894 C( 17 GLU* 3) -0.93700000 +0 37.34700000 +0 22.50499900 +0 -0.0790 C( 18 GLU* 3) -1.19400000 +0 38.35699800 +0 23.55500000 +0 0.5480 O( 19 GLU* 3) -2.31300000 +0 38.86500200 +0 23.84600100 +0 -0.6259 C( 20 GLU 3) -0.86400000 +0 35.92599900 +0 23.08099900 +0 -0.2317 C( 21 GLU 3) -0.55300000 +0 34.83000200 +0 22.09000000 +0 -0.4189 C( 22 GLU 3) 0.56800000 +0 34.79499800 +0 21.10100000 +0 0.6744 O( 23 GLU 3) 1.73500000 +0 35.11500200 +0 21.43100000 +0 -0.6223 O( 24 GLU 3) 0.32100000 +0 34.47100100 +0 19.89100100 +0 -0.4808 N( 25 VAL* 4) -0.16100000 +0 38.68500100 +0 24.37900000 +0 -0.4455 C( 26 VAL* 4) -0.22400000 +0 39.75000000 +0 25.35800000 +0 -0.0896 C( 27 VAL* 4) -0.54200000 +0 41.08900100 +0 24.73399900 +0 0.5408 O( 28 VAL* 4) -1.33000000 +0 41.89500000 +0 25.20900000 +0 -0.6609 C( 29 VAL 4) 1.07700000 +0 39.83200100 +0 26.23300000 +0 0.0000 C( 30 VAL 4) 0.86900000 +0 41.00299800 +0 27.22300000 +0 -0.4818 C( 31 VAL 4) 1.19400000 +0 38.47700100 +0 27.01199900 +0 -0.4883 N( 32 MET* 5) 0.14000000 +0 41.43100000 +0 23.62299900 +0 -0.4342 C( 33 MET* 5) -0.12400000 +0 42.75000000 +0 23.04999900 +0 -0.1146 C( 34 MET* 5) -1.60500000 +0 42.81800100 +0 22.63900000 +0 0.5992 O( 35 MET* 5) -2.19100000 +0 43.89500000 +0 22.68600100 +0 -0.6857 C( 36 MET 5) 0.75500000 +0 43.08900100 +0 21.84600100 +0 -0.2760 C( 37 MET 5) 2.25200000 +0 43.30199800 +0 22.29800000 +0 -0.2032 S( 38 MET 5) 2.36700000 +0 44.65700100 +0 23.51199900 +0 -0.1545 C( 39 MET 5) 1.76100000 +0 46.04000100 +0 22.61800000 +0 -0.5128 N( 40 LYS* 6) -2.12000000 +0 41.69400000 +0 22.11800000 +0 -0.4482 C( 41 LYS* 6) -3.59400000 +0 41.69400000 +0 21.84700000 +0 -0.0617 C( 42 LYS* 6) -4.43100000 +0 42.03900100 +0 23.05299900 +0 0.5812 O( 43 LYS* 6) -5.33700000 +0 42.89500000 +0 23.03599900 +0 -0.6484 C( 44 LYS 6) -4.00900000 +0 40.31399900 +0 21.36300100 +0 -0.3075 C( 45 LYS 6) -5.51200000 +0 40.06900000 +0 21.32200100 +0 -0.2366 C( 46 LYS 6) -6.16500000 +0 40.60200100 +0 20.06300000 +0 -0.3208 C( 47 LYS 6) -6.54100000 +0 42.06700100 +0 20.18199900 +0 -0.1076 N( 48 LYS 6) -7.23100000 +0 42.56800100 +0 18.96200000 +0 -0.5669 N( 49 ASN* 7) -4.10200000 +0 41.36600100 +0 24.18000000 +0 -0.4845 C( 50 ASN* 7) -4.90500000 +0 41.63900000 +0 25.38699900 +0 0.0691 C( 51 ASN* 7) -4.73100000 +0 43.07199900 +0 25.80600000 +0 0.5647 O( 52 ASN* 7) -5.67200000 +0 43.79900000 +0 26.22200000 +0 -0.6842 C( 53 ASN 7) -4.26300000 +0 40.86800000 +0 26.55400100 +0 -0.5117 C( 54 ASN 7) -4.40300000 +0 39.38999900 +0 26.35400000 +0 0.6314 O( 55 ASN 7) -5.37100000 +0 39.02600100 +0 25.72500000 +0 -0.6045 N( 56 ASN 7) -3.48400000 +0 38.59999800 +0 26.93700000 +0 -0.5495 N( 57 LEU* 8) -3.46200000 +0 43.57199900 +0 25.78400000 +0 -0.4462 C( 58 LEU* 8) -3.34200000 +0 44.99399900 +0 26.21500000 +0 -0.0185 C( 59 LEU* 8) -4.02800000 +0 45.96400100 +0 25.24000000 +0 0.5820 O( 60 LEU* 8) -4.58200000 +0 47.00199900 +0 25.63800000 +0 -0.6578 C( 61 LEU 8) -1.85300000 +0 45.41999800 +0 26.23700000 +0 -0.3465 C( 62 LEU 8) -0.96800000 +0 45.08000200 +0 27.43199900 +0 0.0528 C( 63 LEU 8) -1.13100000 +0 43.62099800 +0 27.80200000 +0 -0.4927 C( 64 LEU 8) 0.51400000 +0 45.31499900 +0 27.11500000 +0 -0.5279 N( 65 SER* 9) -3.96300000 +0 45.68899900 +0 23.93000000 +0 -0.4635 C( 66 SER* 9) -4.59500000 +0 46.56399900 +0 22.94400000 +0 -0.0778 C( 67 SER* 9) -6.11600000 +0 46.59899900 +0 23.08000000 +0 0.5534 O( 68 SER* 9) -6.64500000 +0 47.72499800 +0 23.04400100 +0 -0.6833 C( 69 SER 9) -4.20400000 +0 46.08599900 +0 21.53100000 +0 -0.0030 O( 70 SER 9) -2.80900000 +0 46.28099800 +0 21.29200000 +0 -0.5923 N( 71 LEU* 10) -6.78000000 +0 45.46099900 +0 23.23200000 +0 -0.4279 C( 72 LEU* 10) -8.22200000 +0 45.40599800 +0 23.44100000 +0 -0.0222 C( 73 LEU* 10) -8.54500000 +0 46.24300000 +0 24.67900100 +0 0.5583 O( 74 LEU* 10) -9.41700000 +0 47.11299900 +0 24.64800100 +0 -0.6465 C( 75 LEU 10) -8.77900000 +0 44.00899900 +0 23.54900000 +0 -0.3348 C( 76 LEU 10) -10.15300000 +0 43.85900100 +0 24.23100100 +0 0.0568 C( 77 LEU 10) -11.23400000 +0 44.56300000 +0 23.42900100 +0 -0.5606 C( 78 LEU 10) -10.48600000 +0 42.39300200 +0 24.44000100 +0 -0.5117 N( 79 ASN* 11) -7.84900000 +0 45.95700100 +0 25.78000100 +0 -0.4386 C( 80 ASN* 11) -8.24800000 +0 46.62900200 +0 27.01700000 +0 -0.0950 C( 81 ASN* 11) -7.86100000 +0 48.06300000 +0 27.13999900 +0 0.5769 O( 82 ASN* 11) -8.60200000 +0 48.86100000 +0 27.72100100 +0 -0.6538 C( 83 ASN 11) -7.74000000 +0 45.86299900 +0 28.25799900 +0 -0.4391 C( 84 ASN 11) -8.51600000 +0 44.57799900 +0 28.45200000 +0 0.6122 O( 85 ASN 11) -9.58600000 +0 44.45600100 +0 29.06100100 +0 -0.6174 N( 86 ASN 11) -7.97500000 +0 43.53699900 +0 27.90399900 +0 -0.5314 N( 87 PHE* 12) -6.79400000 +0 48.50099900 +0 26.45999900 +0 -0.4583 C( 88 PHE* 12) -6.42800000 +0 49.90100100 +0 26.57200100 +0 -0.0627 C( 89 PHE* 12) -7.48400000 +0 50.73400100 +0 25.89300000 +0 0.5686 O( 90 PHE* 12) -7.67800000 +0 51.85699800 +0 26.28599900 +0 -0.5878 C( 91 PHE 12) -5.14200000 +0 50.12099800 +0 25.73200000 +0 -0.3440 C( 92 PHE 12) -4.52800000 +0 51.48300200 +0 25.77800000 +0 0.0930 C( 93 PHE 12) -3.85500000 +0 51.94200100 +0 26.89800100 +0 -0.2173 C( 94 PHE 12) -4.70600000 +0 52.33300000 +0 24.69000100 +0 -0.1647 C( 95 PHE 12) -3.34700000 +0 53.24800100 +0 26.88900000 +0 -0.0955 C( 96 PHE 12) -4.16100000 +0 53.60900100 +0 24.68199900 +0 -0.1510 C( 97 PHE 12) -3.44500000 +0 54.08100100 +0 25.78800000 +0 -0.1893 N( 98 GLY* 13) -7.97400000 +0 50.19200100 +0 24.76800000 +0 -0.4422 C( 99 GLY* 13) -8.96500000 +0 50.96900200 +0 24.02800000 +0 -0.2592 C( 100 GLY* 13) -10.41700000 +0 50.75799900 +0 24.37400100 +0 0.5334 O( 101 GLY* 13) -11.28900000 +0 51.28699900 +0 23.65200000 +0 -0.6694 N( 102 LYS* 14) -10.73100000 +0 50.10699800 +0 25.44300100 +0 -0.3759 C( 103 LYS* 14) -12.14400000 +0 49.87500000 +0 25.80200000 +0 -0.0604 C( 104 LYS* 14) -12.94300000 +0 51.12699900 +0 26.02300100 +0 0.5657 O( 105 LYS* 14) -14.10000000 +0 51.20500200 +0 25.54600000 +0 -0.6340 C( 106 LYS 14) -12.14900000 +0 48.88499800 +0 26.98300000 +0 -0.2775 C( 107 LYS 14) -12.39900000 +0 47.47800100 +0 26.43300100 +0 -0.2413 C( 108 LYS 14) -12.71300000 +0 46.45500200 +0 27.49500100 +0 -0.3145 C( 109 LYS 14) -12.91500000 +0 45.07199900 +0 26.89699900 +0 -0.1208 N( 110 LYS 14) -13.18900000 +0 44.05099900 +0 27.94599900 +0 -0.5160 N( 111 ALA* 15) -12.37400000 +0 52.20700100 +0 26.57099900 +0 -0.4666 C( 112 ALA* 15) -13.15600000 +0 53.44300100 +0 26.75099900 +0 0.0110 C( 113 ALA* 15) -13.13200000 +0 54.41099900 +0 25.62400100 +0 0.5462 O( 114 ALA* 15) -13.36900000 +0 55.61800000 +0 25.73700000 +0 -0.6540 C( 115 ALA 15) -12.67300000 +0 54.18700000 +0 28.01000000 +0 -0.4885 N( 116 LEU* 16) -12.75200000 +0 54.03400000 +0 24.34700000 +0 -0.4797 C( 117 LEU* 16) -12.62000000 +0 54.95000100 +0 23.27899900 +0 -0.0394 C( 118 LEU* 16) -13.95000000 +0 55.75000000 +0 22.95599900 +0 0.5369 O( 119 LEU* 16) -13.72700000 +0 56.81399900 +0 22.39699900 +0 -0.6094 C( 120 LEU 16) -12.28300000 +0 54.21799900 +0 21.94899900 +0 -0.3475 C( 121 LEU 16) -11.96300000 +0 55.00999800 +0 20.69700100 +0 0.0718 C( 122 LEU 16) -10.76000000 +0 55.95399900 +0 20.87200000 +0 -0.5331 C( 123 LEU 16) -11.65000000 +0 54.02399800 +0 19.55500000 +0 -0.5121 N( 124 ASP* 17) -15.02600000 +0 55.00600100 +0 23.06500100 +0 -0.4549 C( 125 ASP* 17) -16.36400000 +0 55.51900100 +0 22.75499900 +0 0.0061 C( 126 ASP* 17) -16.71800000 +0 56.52600100 +0 23.85199900 +0 0.5162 O( 127 ASP* 17) -17.09199900 +0 57.65000200 +0 23.53500000 +0 -0.5614 C( 128 ASP 17) -17.41000000 +0 54.41999800 +0 22.75300000 +0 -0.4247 C( 129 ASP 17) -17.04500000 +0 53.06200000 +0 22.21699900 +0 0.6309 O( 130 ASP 17) -15.87700000 +0 52.77999900 +0 21.87900000 +0 -0.5718 O( 131 ASP 17) -17.96299900 +0 52.20999900 +0 22.12500000 +0 -0.4566 N( 132 GLU* 18) -16.45100000 +0 56.13399900 +0 25.10700000 +0 -0.4561 C( 133 GLU* 18) -16.46200000 +0 57.14199800 +0 26.18700000 +0 0.0186 C( 134 GLU* 18) -15.50800000 +0 58.27299900 +0 25.87800000 +0 0.5409 O( 135 GLU* 18) -15.86500000 +0 59.46400100 +0 25.93400000 +0 -0.6257 C( 136 GLU 18) -16.22300000 +0 56.48300200 +0 27.49700000 +0 -0.3218 C( 137 GLU 18) -15.79700000 +0 57.17200100 +0 28.75099900 +0 -0.3360 C( 138 GLU 18) -15.23200000 +0 56.15300000 +0 29.74000000 +0 0.6707 O( 139 GLU 18) -14.07600000 +0 55.72600200 +0 29.55299900 +0 -0.6116 O( 140 GLU 18) -15.95500000 +0 55.77899900 +0 30.68600100 +0 -0.4689 N( 141 CYS* 19) -14.25300000 +0 57.98300200 +0 25.49399900 +0 -0.4758 C( 142 CYS* 19) -13.37200000 +0 59.09500100 +0 25.16700000 +0 -0.0282 C( 143 CYS* 19) -14.02300000 +0 59.94699900 +0 24.09300000 +0 0.5743 O( 144 CYS* 19) -14.12900000 +0 61.13900000 +0 24.33799900 +0 -0.6361 C( 145 CYS 19) -11.92800000 +0 58.76900100 +0 24.78500000 +0 -0.3712 S( 146 CYS 19) -11.02400000 +0 58.29200000 +0 26.29700100 +0 0.0261 N( 147 LYS* 20) -14.37200000 +0 59.38900000 +0 22.92499900 +0 -0.4905 C( 148 LYS* 20) -14.93800000 +0 60.16899900 +0 21.83499900 +0 -0.0053 C( 149 LYS* 20) -16.12200000 +0 61.00000000 +0 22.33099900 +0 0.5471 O( 150 LYS* 20) -16.27500000 +0 62.16199900 +0 22.02300100 +0 -0.5680 C( 151 LYS 20) -15.40000000 +0 59.25700000 +0 20.68899900 +0 -0.3080 C( 152 LYS 20) -16.21500000 +0 59.86700100 +0 19.56900000 +0 -0.2421 C( 153 LYS 20) -16.70000100 +0 58.79600100 +0 18.60000000 +0 -0.3104 C( 154 LYS 20) -18.13900000 +0 59.01599900 +0 18.17000000 +0 -0.1089 N( 155 LYS 20) -18.69500000 +0 57.84100000 +0 17.44300100 +0 -0.5336 N( 156 LYS* 21) -17.04000100 +0 60.34299900 +0 23.07500100 +0 -0.4707 C( 157 LYS* 21) -18.20400000 +0 61.13499800 +0 23.51400000 +0 -0.0294 C( 158 LYS* 21) -17.75200100 +0 62.27899900 +0 24.39200000 +0 0.5393 O( 159 LYS* 21) -18.21100000 +0 63.38399900 +0 24.12900000 +0 -0.5516 C( 160 LYS 21) -19.24000000 +0 60.22100100 +0 24.17200100 +0 -0.2975 C( 161 LYS 21) -19.79200000 +0 59.19400000 +0 23.19300100 +0 -0.2423 C( 162 LYS 21) -20.83200100 +0 58.30099900 +0 23.84900100 +0 -0.2741 C( 163 LYS 21) -21.37100000 +0 57.28900100 +0 22.84900100 +0 -0.1503 N( 164 LYS 21) -22.38500000 +0 56.39099900 +0 23.46500000 +0 -0.5473 N( 165 GLU* 22) -16.84900100 +0 62.11600100 +0 25.38400100 +0 -0.4721 C( 166 GLU* 22) -16.47600000 +0 63.22399900 +0 26.24300000 +0 -0.0421 C( 167 GLU* 22) -15.80300000 +0 64.39299800 +0 25.51899900 +0 0.5680 O( 168 GLU* 22) -16.10300100 +0 65.55899800 +0 25.81500100 +0 -0.5925 C( 169 GLU 22) -15.48200000 +0 62.88100100 +0 27.35500000 +0 -0.2621 C( 170 GLU 22) -16.09199900 +0 61.83700200 +0 28.30800100 +0 -0.3414 C( 171 GLU 22) -15.04900000 +0 61.22900000 +0 29.20599900 +0 0.6305 O( 172 GLU 22) -15.36000000 +0 60.21600000 +0 29.87800000 +0 -0.6191 O( 173 GLU 22) -13.93000000 +0 61.76599900 +0 29.20500000 +0 -0.4577 N( 174 MET* 23) -14.86600000 +0 64.07900200 +0 24.64300000 +0 -0.4325 C( 175 MET* 23) -14.08500000 +0 65.19300100 +0 24.06600000 +0 -0.0494 C( 176 MET* 23) -14.86100000 +0 65.51000200 +0 22.76899900 +0 0.5583 O( 177 MET* 23) -16.01400000 +0 65.15300000 +0 22.65500100 +0 -0.5043 C( 178 MET 23) -12.67000000 +0 64.91999800 +0 23.68899900 +0 -0.3647 C( 179 MET 23) -11.55700000 +0 65.88099700 +0 24.03200000 +0 -0.2770 S( 180 MET 23) -9.92100000 +0 65.09300200 +0 23.92100000 +0 -0.1209 C( 181 MET 23) -10.31300000 +0 63.59199900 +0 24.80100100 +0 -0.4952 N( 182 THR* 24) -14.23400000 +0 66.06800100 +0 21.81699900 +0 -0.5892 C( 183 THR* 24) -13.87900000 +0 66.63700100 +0 20.63400100 +0 -0.0332 C( 184 THR* 24) -13.93100000 +0 65.87599900 +0 19.29999900 +0 0.5377 O( 185 THR* 24) -13.83300000 +0 66.57399700 +0 18.27400000 +0 -0.5796 C( 186 THR 24) -12.33700000 +0 66.82199900 +0 20.95100000 +0 0.1617 O( 187 THR 24) -12.25600000 +0 67.60500300 +0 22.15600000 +0 -0.5553 C( 188 THR 24) -11.52200000 +0 67.48300200 +0 19.87500000 +0 -0.5821 N( 189 LEU* 25) -14.01400000 +0 64.51899700 +0 19.26899900 +0 -0.4355 C( 190 LEU* 25) -13.26100000 +0 63.80600000 +0 18.24399900 +0 -0.0515 C( 191 LEU* 25) -14.04300000 +0 63.27800000 +0 16.98900000 +0 0.5526 O( 192 LEU* 25) -15.13200000 +0 62.72200000 +0 17.20800000 +0 -0.5027 C( 193 LEU 25) -12.43700000 +0 62.63600200 +0 18.82399900 +0 -0.3721 C( 194 LEU 25) -11.50300000 +0 62.95800000 +0 20.01000000 +0 0.0127 C( 195 LEU 25) -10.48900000 +0 61.82300200 +0 20.16799900 +0 -0.4788 C( 196 LEU 25) -10.70700000 +0 64.22899600 +0 19.87700100 +0 -0.5109 N( 197 THR* 26) -13.34400000 +0 63.47800100 +0 15.90100000 +0 -0.4214 C( 198 THR* 26) -14.02000000 +0 62.98799900 +0 14.67500000 +0 -0.1818 C( 199 THR* 26) -13.91200000 +0 61.48199800 +0 14.57000000 +0 0.5721 O( 200 THR* 26) -13.09800000 +0 60.76699800 +0 15.17800000 +0 -0.5920 C( 201 THR 26) -13.61800000 +0 63.68999900 +0 13.41300000 +0 0.2230 O( 202 THR 26) -12.70000000 +0 62.92599900 +0 12.65300000 +0 -0.6034 C( 203 THR 26) -12.97900000 +0 65.05200200 +0 13.69600000 +0 -0.6023 N( 204 ASP* 27) -14.84400000 +0 60.93100000 +0 13.75500000 +0 -0.4778 C( 205 ASP* 27) -14.79800000 +0 59.46900200 +0 13.54700000 +0 -0.0162 C( 206 ASP* 27) -13.61300000 +0 59.11999900 +0 12.66900000 +0 0.5601 O( 207 ASP* 27) -13.32900000 +0 57.91299800 +0 12.50600000 +0 -0.6823 C( 208 ASP 27) -16.11100000 +0 59.11600100 +0 12.90000000 +0 -0.4898 C( 209 ASP 27) -17.32300000 +0 59.09100000 +0 13.79600000 +0 0.6633 O( 210 ASP 27) -17.29500000 +0 58.97300000 +0 15.02500000 +0 -0.5185 O( 211 ASP 27) -18.48200000 +0 59.17200100 +0 13.29900000 +0 -0.4909 N( 212 ALA* 28) -12.88400000 +0 60.02000000 +0 12.06600000 +0 -0.4117 C( 213 ALA* 28) -11.64700000 +0 59.90800100 +0 11.38200000 +0 -0.0206 C( 214 ALA* 28) -10.61500000 +0 59.04600100 +0 12.24800000 +0 0.5379 O( 215 ALA* 28) -9.89100000 +0 58.35699800 +0 11.55200000 +0 -0.6012 C( 216 ALA 28) -10.97100000 +0 61.20900000 +0 11.03400000 +0 -0.5159 N( 217 ILE* 29) -10.78500000 +0 59.06000100 +0 13.55100000 +0 -0.4324 C( 218 ILE* 29) -9.74600000 +0 58.32600000 +0 14.32300000 +0 -0.1295 C( 219 ILE* 29) -10.07700000 +0 56.85100200 +0 14.19700000 +0 0.5841 O( 220 ILE* 29) -9.16900000 +0 56.05699900 +0 14.48400000 +0 -0.6844 C( 221 ILE 29) -9.69000000 +0 58.78300100 +0 15.78100000 +0 0.0041 C( 222 ILE 29) -10.91600000 +0 58.41799900 +0 16.58700000 +0 -0.2776 C( 223 ILE 29) -9.37800000 +0 60.31000100 +0 15.78600000 +0 -0.5288 C( 224 ILE 29) -10.94100000 +0 58.87900200 +0 18.03200000 +0 -0.4502 N( 225 ASN* 30) -11.30500000 +0 56.42800100 +0 13.88800000 +0 -0.4405 C( 226 ASN* 30) -11.60100000 +0 54.97300000 +0 13.90300000 +0 0.0284 C( 227 ASN* 30) -10.63900000 +0 54.21300100 +0 12.99400000 +0 0.5338 O( 228 ASN* 30) -10.22500000 +0 53.04700100 +0 13.31500000 +0 -0.6642 C( 229 ASN 30) -13.02500000 +0 54.72900000 +0 13.36800000 +0 -0.4512 C( 230 ASN 30) -14.12400000 +0 55.29700100 +0 14.23300000 +0 0.6580 O( 231 ASN 30) -13.97700000 +0 55.86299900 +0 15.31900000 +0 -0.6388 N( 232 ASN 30) -15.35700000 +0 55.16000000 +0 13.78000000 +0 -0.5662 N( 233 GLU* 31) -10.32100000 +0 54.82799900 +0 11.84900000 +0 -0.4636 C( 234 GLU* 31) -9.39200000 +0 54.12599900 +0 10.93100000 +0 0.0180 C( 235 GLU* 31) -8.07200000 +0 53.77100000 +0 11.66700000 +0 0.5607 O( 236 GLU* 31) -7.45500000 +0 52.72300000 +0 11.43300000 +0 -0.6408 C( 237 GLU 31) -9.01000000 +0 55.00700000 +0 9.74700000 +0 -0.3264 C( 238 GLU 31) -8.25900000 +0 54.29999900 +0 8.63900000 +0 -0.3328 C( 239 GLU 31) -7.69300000 +0 55.19400000 +0 7.53500000 +0 0.6663 O( 240 GLU 31) -7.73800000 +0 56.43999900 +0 7.67500000 +0 -0.6761 O( 241 GLU 31) -7.20400000 +0 54.59800000 +0 6.54700000 +0 -0.4220 N( 242 ASP* 32) -7.51400000 +0 54.69200100 +0 12.45000000 +0 -0.4510 C( 243 ASP* 32) -6.27700000 +0 54.41199900 +0 13.21800000 +0 0.0388 C( 244 ASP* 32) -6.46300000 +0 53.35800200 +0 14.26800000 +0 0.4895 O( 245 ASP* 32) -5.53900000 +0 52.53400000 +0 14.40500000 +0 -0.6039 C( 246 ASP 32) -5.82000000 +0 55.72200000 +0 13.91300000 +0 -0.4820 C( 247 ASP 32) -5.24700000 +0 56.69800200 +0 12.90800000 +0 0.6483 O( 248 ASP 32) -4.72200000 +0 56.43800000 +0 11.80000000 +0 -0.5123 O( 249 ASP 32) -5.30300000 +0 57.91999800 +0 13.28100000 +0 -0.5665 N( 250 PHE* 33) -7.51900000 +0 53.33900100 +0 15.02100000 +0 -0.4264 C( 251 PHE* 33) -7.77600000 +0 52.29000100 +0 16.04000100 +0 -0.0122 C( 252 PHE* 33) -8.02100000 +0 50.95900000 +0 15.37200000 +0 0.5619 O( 253 PHE* 33) -7.56300000 +0 49.95200000 +0 15.85000000 +0 -0.6320 C( 254 PHE 33) -8.92700000 +0 52.77600100 +0 16.92200100 +0 -0.3729 C( 255 PHE 33) -8.28700000 +0 53.85400000 +0 17.83400000 +0 0.0520 C( 256 PHE 33) -8.18700000 +0 55.19800200 +0 17.55299900 +0 -0.1561 C( 257 PHE 33) -7.77400000 +0 53.36600100 +0 19.02300100 +0 -0.1535 C( 258 PHE 33) -7.55300000 +0 56.09600100 +0 18.43700000 +0 -0.2007 C( 259 PHE 33) -7.17900000 +0 54.20100000 +0 19.97800100 +0 -0.1255 C( 260 PHE 33) -7.05900000 +0 55.56000100 +0 19.68700000 +0 -0.1311 N( 261 TYR* 34) -8.82000000 +0 50.88399900 +0 14.30500000 +0 -0.4562 C( 262 TYR* 34) -9.14100000 +0 49.57300200 +0 13.73500000 +0 -0.0253 C( 263 TYR* 34) -7.92000000 +0 48.97200000 +0 13.06700000 +0 0.5445 O( 264 TYR* 34) -7.86100000 +0 47.75000000 +0 12.94700000 +0 -0.6302 C( 265 TYR 34) -10.18100000 +0 49.80300100 +0 12.60300000 +0 -0.3100 C( 266 TYR 34) -11.59300000 +0 49.92200100 +0 13.12000000 +0 -0.0448 C( 267 TYR 34) -12.06200000 +0 49.30300100 +0 14.25200000 +0 -0.0874 C( 268 TYR 34) -12.52400000 +0 50.68299900 +0 12.41300000 +0 -0.0618 C( 269 TYR 34) -13.35000000 +0 49.41500100 +0 14.72500000 +0 -0.3031 C( 270 TYR 34) -13.80100000 +0 50.86700100 +0 12.90800000 +0 -0.3180 C( 271 TYR 34) -14.24200000 +0 50.20000100 +0 14.03400000 +0 0.3318 O( 272 TYR 34) -15.54700000 +0 50.37400100 +0 14.47200000 +0 -0.5141 N( 273 ASN* 35) -7.03000000 +0 49.75600100 +0 12.48300000 +0 -0.4341 C( 274 ASN* 35) -5.90300000 +0 49.25299800 +0 11.74600000 +0 -0.0230 C( 275 ASN* 35) -4.55300000 +0 49.41700000 +0 12.43400000 +0 0.5633 O( 276 ASN* 35) -3.52800000 +0 49.20800000 +0 11.80700000 +0 -0.6162 C( 277 ASN 35) -5.76700000 +0 50.07899900 +0 10.39900000 +0 -0.4426 C( 278 ASN 35) -7.01700000 +0 49.77100000 +0 9.55400000 +0 0.6514 O( 279 ASN 35) -7.16300000 +0 48.67100100 +0 9.04000000 +0 -0.6386 N( 280 ASN 35) -7.94800000 +0 50.70700100 +0 9.40400000 +0 -0.5697 N( 281 PHE* 36) -4.57100000 +0 49.71099900 +0 13.75500000 +0 -0.4328 C( 282 PHE* 36) -3.37300000 +0 50.14300200 +0 14.47500000 +0 -0.0185 C( 283 PHE* 36) -2.18700000 +0 49.25799900 +0 14.18200000 +0 0.5543 O( 284 PHE* 36) -1.11800000 +0 49.81300000 +0 13.92100000 +0 -0.6140 C( 285 PHE 36) -3.78900000 +0 50.25000000 +0 15.93600000 +0 -0.3218 C( 286 PHE 36) -2.73500000 +0 50.97200000 +0 16.76000000 +0 0.0160 C( 287 PHE 36) -2.92100000 +0 52.30199800 +0 17.08099900 +0 -0.1531 C( 288 PHE 36) -1.59800000 +0 50.28900100 +0 17.17200100 +0 -0.1424 C( 289 PHE 36) -1.97800000 +0 52.98300200 +0 17.86200000 +0 -0.1912 C( 290 PHE 36) -0.62200000 +0 50.97900000 +0 17.90900000 +0 -0.1528 C( 291 PHE 36) -0.81700000 +0 52.30799900 +0 18.24099900 +0 -0.1302 N( 292 TRP* 37) -2.33700000 +0 47.93800000 +0 14.25900000 +0 -0.4045 C( 293 TRP* 37) -1.15000000 +0 47.11200000 +0 14.27000000 +0 -0.0591 C( 294 TRP* 37) -0.72300000 +0 46.62200200 +0 12.87200000 +0 0.5790 O( 295 TRP* 37) 0.19500000 +0 45.82400100 +0 12.74200000 +0 -0.6821 C( 296 TRP 37) -1.23700000 +0 45.91700000 +0 15.25600000 +0 -0.2971 C( 297 TRP 37) -1.12700000 +0 46.39500000 +0 16.68199900 +0 -0.0488 C( 298 TRP 37) -2.05900000 +0 46.28900100 +0 17.67100000 +0 -0.1671 C( 299 TRP 37) 0.02900000 +0 46.99900100 +0 17.28500000 +0 -0.0852 N( 300 TRP 37) -1.57100000 +0 46.79900000 +0 18.86300100 +0 -0.2125 C( 301 TRP 37) -0.33300000 +0 47.21699900 +0 18.62100000 +0 0.1014 C( 302 TRP 37) 1.29100000 +0 47.36800000 +0 16.83700000 +0 -0.0729 C( 303 TRP 37) 0.56300000 +0 47.85200100 +0 19.53400000 +0 -0.2954 C( 304 TRP 37) 2.18300000 +0 47.97300000 +0 17.72100100 +0 -0.2558 C( 305 TRP 37) 1.77500000 +0 48.19800200 +0 19.06500100 +0 -0.0583 N( 306 LYS* 38) -1.48800000 +0 46.88900000 +0 11.81400000 +0 -0.3911 C( 307 LYS* 38) -1.08400000 +0 46.44100200 +0 10.48400000 +0 -0.0384 C( 308 LYS* 38) 0.31300000 +0 46.95999900 +0 10.10400000 +0 0.5348 O( 309 LYS* 38) 0.71100000 +0 48.11100000 +0 10.30800000 +0 -0.6387 C( 310 LYS 38) -2.06600000 +0 47.03400000 +0 9.44100000 +0 -0.3313 C( 311 LYS 38) -3.34300000 +0 46.29200000 +0 9.25700000 +0 -0.2417 C( 312 LYS 38) -4.03900000 +0 46.79600100 +0 7.96900000 +0 -0.2705 C( 313 LYS 38) -5.42600000 +0 46.17900100 +0 7.93400000 +0 -0.1110 N( 314 LYS 38) -6.18100000 +0 46.72000100 +0 6.74200000 +0 -0.5648 N( 315 GLU* 39) 1.05200000 +0 46.01599900 +0 9.51000000 +0 -0.4863 C( 316 GLU* 39) 2.45300000 +0 46.27000000 +0 9.22900000 +0 -0.0795 C( 317 GLU* 39) 2.62300000 +0 47.47499800 +0 8.28800000 +0 0.5437 O( 318 GLU* 39) 3.52500000 +0 48.26100200 +0 8.56600000 +0 -0.6201 C( 319 GLU 39) 3.15300000 +0 45.04000100 +0 8.54600000 +0 -0.2176 C( 320 GLU 39) 3.31800000 +0 43.95100000 +0 9.59400000 +0 -0.4203 C( 321 GLU 39) 4.00500000 +0 42.71600000 +0 9.06800000 +0 0.6676 O( 322 GLU 39) 3.73500000 +0 42.35200100 +0 7.91000000 +0 -0.6712 O( 323 GLU 39) 4.78800000 +0 42.10900100 +0 9.82900000 +0 -0.4207 N( 324 GLY* 40) 1.81800000 +0 47.54100000 +0 7.24900000 +0 -0.4146 C( 325 GLY* 40) 2.06600000 +0 48.77299900 +0 6.41100000 +0 -0.2370 C( 326 GLY* 40) 1.54000000 +0 50.07199900 +0 7.02400000 +0 0.5700 O( 327 GLY* 40) 1.94600000 +0 51.15700100 +0 6.60300000 +0 -0.5671 N( 328 TYR* 41) 0.64600000 +0 50.05099900 +0 8.00500000 +0 -0.4953 C( 329 TYR* 41) -0.27000000 +0 51.13499800 +0 8.33000000 +0 -0.0064 C( 330 TYR* 41) 0.42100000 +0 52.21799900 +0 9.14000000 +0 0.5853 O( 331 TYR* 41) 1.11600000 +0 51.72200000 +0 10.02300000 +0 -0.6418 C( 332 TYR 41) -1.45300000 +0 50.51200100 +0 9.09600000 +0 -0.3235 C( 333 TYR 41) -2.48200000 +0 51.63900000 +0 9.23700000 +0 -0.1007 C( 334 TYR 41) -3.32200000 +0 51.96799900 +0 8.21300000 +0 -0.0718 C( 335 TYR 41) -2.52900000 +0 52.32199900 +0 10.44700000 +0 -0.0537 C( 336 TYR 41) -4.21200000 +0 53.00899900 +0 8.41100000 +0 -0.3092 C( 337 TYR 41) -3.41200000 +0 53.39400100 +0 10.64500000 +0 -0.2672 C( 338 TYR 41) -4.23000000 +0 53.71900200 +0 9.55500000 +0 0.3370 O( 339 TYR 41) -5.11000000 +0 54.78200100 +0 9.73300000 +0 -0.5636 N( 340 GLU* 42) 0.35800000 +0 53.51800200 +0 8.85400000 +0 -0.4296 C( 341 GLU* 42) 0.77900000 +0 54.55099900 +0 9.77400000 +0 -0.0812 C( 342 GLU* 42) -0.36900000 +0 55.33000200 +0 10.40500000 +0 0.5378 O( 343 GLU* 42) -1.28300000 +0 55.77999900 +0 9.69700000 +0 -0.6343 C( 344 GLU 42) 1.70100000 +0 55.56600200 +0 9.10300000 +0 -0.2760 C( 345 GLU 42) 3.00000000 +0 54.94100200 +0 8.56500000 +0 -0.3395 C( 346 GLU 42) 3.63700000 +0 56.05400100 +0 7.74100000 +0 0.6269 O( 347 GLU 42) 3.35800000 +0 56.08400000 +0 6.53300000 +0 -0.5776 O( 348 GLU 42) 4.34000000 +0 56.87699900 +0 8.36000000 +0 -0.4659 N( 349 ILE* 43) -0.36800000 +0 55.43600100 +0 11.73800000 +0 -0.4224 C( 350 ILE* 43) -1.43100000 +0 56.05500000 +0 12.49100000 +0 -0.1098 C( 351 ILE* 43) -1.26600000 +0 57.52999900 +0 12.07900000 +0 0.5538 O( 352 ILE* 43) -0.15000000 +0 57.90000200 +0 11.82100000 +0 -0.5769 C( 353 ILE 43) -1.43600000 +0 55.86899900 +0 13.99400000 +0 -0.0158 C( 354 ILE 43) -0.05600000 +0 56.13900000 +0 14.61200000 +0 -0.2454 C( 355 ILE 43) -1.92200000 +0 54.45800000 +0 14.41000000 +0 -0.5098 C( 356 ILE 43) -0.22500000 +0 56.25999800 +0 16.15300000 +0 -0.4574 N( 357 LYS* 44) -2.37800000 +0 58.25999800 +0 11.91800000 +0 -0.4847 C( 358 LYS* 44) -2.21600000 +0 59.48400100 +0 11.13400000 +0 -0.0768 C( 359 LYS* 44) -3.04300000 +0 60.68100000 +0 11.60900000 +0 0.5590 O( 360 LYS* 44) -2.67900000 +0 61.78599900 +0 11.21700000 +0 -0.5741 C( 361 LYS 44) -2.54900000 +0 59.22000100 +0 9.66100000 +0 -0.3101 C( 362 LYS 44) -3.75300000 +0 58.37200200 +0 9.37700000 +0 -0.2837 C( 363 LYS 44) -4.02300000 +0 58.18600100 +0 7.89500000 +0 -0.2676 C( 364 LYS 44) -3.02500000 +0 57.24100100 +0 7.25000000 +0 -0.1260 N( 365 LYS 44) -3.09300000 +0 55.87099800 +0 7.83000000 +0 -0.5904 N( 366 ASN* 45) -4.07200000 +0 60.48600000 +0 12.39200000 +0 -0.4481 C( 367 ASN* 45) -5.00300000 +0 61.51300000 +0 12.78200000 +0 -0.0168 C( 368 ASN* 45) -4.62300000 +0 62.16899900 +0 14.10300000 +0 0.5222 O( 369 ASN* 45) -4.20000000 +0 61.55899800 +0 15.08500000 +0 -0.6125 C( 370 ASN 45) -6.42700000 +0 60.98700000 +0 12.83800000 +0 -0.4793 C( 371 ASN 45) -6.88700000 +0 60.34299900 +0 11.52500000 +0 0.6203 O( 372 ASN 45) -7.73700000 +0 60.90200000 +0 10.83400000 +0 -0.5787 N( 373 ASN 45) -6.33000000 +0 59.18600100 +0 11.20600000 +0 -0.5239 N( 374 ARG* 46) -4.89100000 +0 63.47800100 +0 14.21200000 +0 -0.4680 C( 375 ARG* 46) -4.39500000 +0 64.20099600 +0 15.37200000 +0 -0.0477 C( 376 ARG* 46) -5.19700000 +0 63.84299900 +0 16.58499900 +0 0.5594 O( 377 ARG* 46) -4.59300000 +0 63.62799800 +0 17.64100100 +0 -0.6287 C( 378 ARG 46) -4.37700000 +0 65.72000100 +0 15.09900000 +0 -0.2640 C( 379 ARG 46) -4.11100000 +0 66.57499700 +0 16.32399900 +0 -0.3281 C( 380 ARG 46) -4.24100000 +0 68.09400200 +0 16.08099900 +0 -0.0980 N( 381 ARG 46) -4.20800000 +0 68.69000200 +0 17.41000000 +0 -0.5027 C( 382 ARG 46) -5.15700000 +0 68.71700300 +0 18.32500100 +0 0.4720 N( 383 ARG 46) -6.40500000 +0 68.31199600 +0 18.09900100 +0 -0.5109 N( 384 ARG 46) -4.85300000 +0 69.27200300 +0 19.50499900 +0 -0.6751 N( 385 GLU* 47) -6.49900000 +0 63.62500000 +0 16.41099900 +0 -0.4450 C( 386 GLU* 47) -7.35500000 +0 63.26499900 +0 17.53700100 +0 -0.0738 C( 387 GLU* 47) -7.13500000 +0 61.86100000 +0 18.05800100 +0 0.5309 O( 388 GLU* 47) -7.75700000 +0 61.43600100 +0 19.01300000 +0 -0.5652 C( 389 GLU 47) -8.81000000 +0 63.45900000 +0 17.09199900 +0 -0.2523 C( 390 GLU 47) -8.98600000 +0 65.00399800 +0 17.00700000 +0 -0.4764 C( 391 GLU 47) -10.24300000 +0 65.23400100 +0 16.19000100 +0 0.6725 O( 392 GLU 47) -10.15100000 +0 65.50700400 +0 14.98300000 +0 -0.5300 O( 393 GLU 47) -11.29000000 +0 65.03399700 +0 16.85000000 +0 -0.5415 N( 394 THR* 48) -6.34000000 +0 61.07600000 +0 17.25700000 +0 -0.4751 C( 395 THR* 48) -5.98100000 +0 59.73400100 +0 17.75099900 +0 -0.1958 C( 396 THR* 48) -4.94600000 +0 59.93600100 +0 18.89300000 +0 0.5506 O( 397 THR* 48) -4.94100000 +0 59.21099900 +0 19.85700000 +0 -0.5905 C( 398 THR 48) -5.32600000 +0 58.88200000 +0 16.65200000 +0 0.2516 O( 399 THR 48) -6.45700000 +0 58.50899900 +0 15.79900000 +0 -0.6488 C( 400 THR 48) -4.64700000 +0 57.61299900 +0 17.17499900 +0 -0.5398 N( 401 GLY* 49) -4.10600000 +0 60.89199800 +0 18.66099900 +0 -0.4021 C( 402 GLY* 49) -3.17800000 +0 61.43800000 +0 19.69899900 +0 -0.2528 C( 403 GLY* 49) -3.98900000 +0 61.85500000 +0 20.89100100 +0 0.5712 O( 404 GLY* 49) -3.65500000 +0 61.47800100 +0 22.02700000 +0 -0.6071 N( 405 CYS* 50) -5.12800000 +0 62.55400100 +0 20.72200000 +0 -0.4439 C( 406 CYS* 50) -5.95300000 +0 62.96099900 +0 21.81100100 +0 -0.0784 C( 407 CYS* 50) -6.68300000 +0 61.78099800 +0 22.43400000 +0 0.5753 O( 408 CYS* 50) -6.89900000 +0 61.74800100 +0 23.63400100 +0 -0.6378 C( 409 CYS 50) -7.07300000 +0 63.96400100 +0 21.46100000 +0 -0.3962 S( 410 CYS 50) -6.61500000 +0 65.47499800 +0 20.64100100 +0 -0.0352 N( 411 ALA* 51) -7.16600000 +0 60.82300200 +0 21.66000000 +0 -0.4578 C( 412 ALA* 51) -7.78700000 +0 59.62500000 +0 22.18300100 +0 0.0222 C( 413 ALA* 51) -6.78700000 +0 58.84700000 +0 23.09000000 +0 0.5215 O( 414 ALA* 51) -7.37000000 +0 58.43899900 +0 24.15900000 +0 -0.5992 C( 415 ALA 51) -8.27400000 +0 58.75199900 +0 21.00499900 +0 -0.5152 N( 416 ILE* 52) -5.57800000 +0 58.79600100 +0 22.52899900 +0 -0.4402 C( 417 ILE* 52) -4.62700000 +0 57.92900100 +0 23.36500000 +0 -0.1465 C( 418 ILE* 52) -4.35200000 +0 58.53300100 +0 24.75300000 +0 0.6074 O( 419 ILE* 52) -4.25300000 +0 57.95100000 +0 25.85800000 +0 -0.6460 C( 420 ILE 52) -3.37700000 +0 57.62599900 +0 22.55800100 +0 -0.0242 C( 421 ILE 52) -3.60400000 +0 56.66899900 +0 21.37400100 +0 -0.2606 C( 422 ILE 52) -2.25500000 +0 57.00299800 +0 23.43000000 +0 -0.5119 C( 423 ILE 52) -2.42500000 +0 56.50500100 +0 20.41799900 +0 -0.4312 N( 424 MET* 53) -4.18100000 +0 59.85599900 +0 24.75499900 +0 -0.4589 C( 425 MET* 53) -4.12300000 +0 60.63200000 +0 26.03300100 +0 -0.0804 C( 426 MET* 53) -5.29800000 +0 60.44100200 +0 26.92600100 +0 0.5625 O( 427 MET* 53) -5.14800000 +0 60.05099900 +0 28.13400100 +0 -0.6873 C( 428 MET 53) -3.67100000 +0 62.03300100 +0 25.59400000 +0 -0.2540 C( 429 MET 53) -3.27700000 +0 63.00500100 +0 26.68400000 +0 -0.3374 S( 430 MET 53) -2.58800000 +0 64.58400000 +0 26.06200000 +0 0.0046 C( 431 MET 53) -4.10100000 +0 65.23500100 +0 25.33300000 +0 -0.5444 N( 432 CYS* 54) -6.56900000 +0 60.50999800 +0 26.45999900 +0 -0.4188 C( 433 CYS* 54) -7.71800000 +0 60.26699800 +0 27.28599900 +0 -0.0363 C( 434 CYS* 54) -7.75500000 +0 58.86899900 +0 27.81200000 +0 0.5701 O( 435 CYS* 54) -8.05500000 +0 58.70399900 +0 29.00400000 +0 -0.6197 C( 436 CYS 54) -9.03700000 +0 60.64699900 +0 26.46999900 +0 -0.3602 S( 437 CYS 54) -10.54500000 +0 60.05400100 +0 27.20000100 +0 -0.0087 N( 438 LEU* 55) -7.42200000 +0 57.86200000 +0 26.96600000 +0 -0.4643 C( 439 LEU* 55) -7.38100000 +0 56.49000200 +0 27.42300000 +0 -0.0150 C( 440 LEU* 55) -6.24400000 +0 56.32600000 +0 28.51700000 +0 0.5315 O( 441 LEU* 55) -6.69900000 +0 55.66500100 +0 29.50200100 +0 -0.5861 C( 442 LEU 55) -6.94600000 +0 55.58300000 +0 26.21699900 +0 -0.3682 C( 443 LEU 55) -8.08500000 +0 55.54800000 +0 25.13400100 +0 0.0482 C( 444 LEU 55) -7.64900000 +0 54.84500100 +0 23.84900100 +0 -0.4976 C( 445 LEU 55) -9.29900000 +0 54.85100200 +0 25.74500100 +0 -0.5339 N( 446 SER* 56) -5.15600000 +0 56.98099900 +0 28.19100000 +0 -0.4252 C( 447 SER* 56) -4.06800000 +0 56.78900100 +0 29.23200000 +0 -0.1422 C( 448 SER* 56) -4.51800000 +0 57.44800200 +0 30.54200000 +0 0.5858 O( 449 SER* 56) -4.46300000 +0 56.83900100 +0 31.61000100 +0 -0.6357 C( 450 SER 56) -2.77700000 +0 57.41700000 +0 28.79900000 +0 -0.0318 O( 451 SER 56) -2.27200000 +0 56.79700100 +0 27.60100000 +0 -0.5645 N( 452 THR* 57) -4.96300000 +0 58.69599900 +0 30.37599900 +0 -0.4362 C( 453 THR* 57) -5.38200000 +0 59.42400000 +0 31.59100000 +0 -0.1750 C( 454 THR* 57) -6.44800000 +0 58.69500000 +0 32.36500200 +0 0.5541 O( 455 THR* 57) -6.40800000 +0 58.60699800 +0 33.61899900 +0 -0.6431 C( 456 THR 57) -5.81600000 +0 60.83499900 +0 31.17700000 +0 0.2384 O( 457 THR 57) -4.81400000 +0 61.54399900 +0 30.49399900 +0 -0.5810 C( 458 THR 57) -6.43900000 +0 61.60900100 +0 32.31399900 +0 -0.5351 N( 459 LYS* 58) -7.48000000 +0 58.13100100 +0 31.71900000 +0 -0.4158 C( 460 LYS* 58) -8.51400000 +0 57.37099800 +0 32.40900000 +0 -0.0982 C( 461 LYS* 58) -8.05300000 +0 56.10200100 +0 33.09000000 +0 0.5561 O( 462 LYS* 58) -8.61700000 +0 55.61999900 +0 34.09299900 +0 -0.5907 C( 463 LYS 58) -9.65400000 +0 57.01300000 +0 31.43100000 +0 -0.2559 C( 464 LYS 58) -10.37600000 +0 58.24200100 +0 30.88100100 +0 -0.2367 C( 465 LYS 58) -11.36100000 +0 57.81200000 +0 29.78500000 +0 -0.2953 C( 466 LYS 58) -12.63700000 +0 58.62799800 +0 29.82099900 +0 -0.1170 N( 467 LYS 58) -13.68500000 +0 57.93500100 +0 30.64100100 +0 -0.5540 N( 468 LEU* 59) -7.00500000 +0 55.44200100 +0 32.56900000 +0 -0.4496 C( 469 LEU* 59) -6.42600000 +0 54.29200000 +0 33.18100000 +0 -0.0669 C( 470 LEU* 59) -5.36000000 +0 54.59899900 +0 34.24599800 +0 0.5449 O( 471 LEU* 59) -4.77500000 +0 53.68199900 +0 34.79100000 +0 -0.6219 C( 472 LEU 59) -5.67100000 +0 53.47100100 +0 32.09400200 +0 -0.3748 C( 473 LEU 59) -6.75500000 +0 52.88399900 +0 31.15200000 +0 0.1539 C( 474 LEU 59) -6.09900000 +0 52.51599900 +0 29.83400000 +0 -0.5431 C( 475 LEU 59) -7.34900000 +0 51.78099800 +0 31.99900100 +0 -0.5449 N( 476 ASN* 60) -5.07500000 +0 55.86200000 +0 34.39899800 +0 -0.4553 C( 477 ASN* 60) -4.26300000 +0 56.41700000 +0 35.46099900 +0 -0.0043 C( 478 ASN* 60) -2.82300000 +0 56.11100000 +0 35.10400000 +0 0.5634 O( 479 ASN* 60) -2.00200000 +0 55.94300100 +0 36.01900100 +0 -0.6698 C( 480 ASN 60) -4.58600000 +0 55.86899900 +0 36.84800000 +0 -0.4625 C( 481 ASN 60) -5.94300000 +0 56.33800100 +0 37.34299900 +0 0.6173 O( 482 ASN 60) -6.16900000 +0 57.54200000 +0 37.41700000 +0 -0.5720 N( 483 ASN 60) -6.77600000 +0 55.36500200 +0 37.65800100 +0 -0.5337 N( 484 MET* 61) -2.51100000 +0 56.15000200 +0 33.80799900 +0 -0.4594 C( 485 MET* 61) -1.19000000 +0 55.78400000 +0 33.33900100 +0 -0.0397 C( 486 MET* 61) -0.38100000 +0 57.02000000 +0 33.03200100 +0 0.5592 O( 487 MET* 61) 0.76600000 +0 56.87599900 +0 32.57899900 +0 -0.6892 C( 488 MET 61) -1.34400000 +0 54.84199900 +0 32.11200000 +0 -0.2943 C( 489 MET 61) -0.26800000 +0 53.79900000 +0 31.99399900 +0 -0.2779 S( 490 MET 61) -0.73800000 +0 52.48500100 +0 30.82399900 +0 -0.0617 C( 491 MET 61) -2.42600000 +0 52.31399900 +0 31.10100000 +0 -0.5506 N( 492 LEU* 62) -0.88000000 +0 58.23500100 +0 33.38100100 +0 -0.3799 C( 493 LEU* 62) -0.16100000 +0 59.43299900 +0 33.04100000 +0 -0.0687 C( 494 LEU* 62) 0.24600000 +0 60.28400000 +0 34.29000100 +0 0.5526 O( 495 LEU* 62) -0.58300000 +0 60.38700100 +0 35.15900000 +0 -0.5705 C( 496 LEU 62) -0.94900000 +0 60.41600000 +0 32.16199900 +0 -0.3740 C( 497 LEU 62) -1.29400000 +0 60.00099900 +0 30.74000000 +0 0.0469 C( 498 LEU 62) -1.83800000 +0 61.15700100 +0 29.88999900 +0 -0.5205 C( 499 LEU 62) -0.09600000 +0 59.34100000 +0 30.06800100 +0 -0.5014 N( 500 ASP* 63) 1.49800000 +0 60.68299900 +0 34.26200100 +0 -0.4436 C( 501 ASP* 63) 1.96100000 +0 61.43299900 +0 35.45299900 +0 -0.0280 C( 502 ASP* 63) 1.69300000 +0 62.92699800 +0 35.27700000 +0 0.5375 O( 503 ASP* 63) 1.22700000 +0 63.41999800 +0 34.24599800 +0 -0.5789 C( 504 ASP 63) 3.43100000 +0 61.17300000 +0 35.74399900 +0 -0.4222 C( 505 ASP 63) 4.44000000 +0 61.80099900 +0 34.83800100 +0 0.6875 O( 506 ASP 63) 4.15600000 +0 62.80500000 +0 34.15399900 +0 -0.6307 O( 507 ASP 63) 5.60300000 +0 61.33400000 +0 34.70500200 +0 -0.4920 N( 508 PRO* 64) 2.04400000 +0 63.70600100 +0 36.30500000 +0 -0.3693 C( 509 PRO* 64) 1.77800000 +0 65.13800000 +0 36.32899900 +0 -0.0795 C( 510 PRO* 64) 2.46400000 +0 65.92299700 +0 35.24200100 +0 0.5212 O( 511 PRO* 64) 1.90400000 +0 66.88800000 +0 34.70000100 +0 -0.5594 C( 512 PRO 64) 2.26700000 +0 65.56400300 +0 37.72100100 +0 -0.2389 C( 513 PRO 64) 1.95000000 +0 64.36599700 +0 38.56600200 +0 -0.3163 C( 514 PRO 64) 2.22700000 +0 63.17400000 +0 37.69699900 +0 -0.0841 N( 515 GLU* 65) 3.63900000 +0 65.51699800 +0 34.79499800 +0 -0.4287 C( 516 GLU* 65) 4.29700000 +0 66.09100300 +0 33.63499800 +0 -0.0663 C( 517 GLU* 65) 3.75900000 +0 65.50499700 +0 32.31600200 +0 0.5636 O( 518 GLU* 65) 4.28600000 +0 65.87500000 +0 31.28300100 +0 -0.6140 C( 519 GLU 65) 5.79300000 +0 65.97599800 +0 33.77000000 +0 -0.2773 C( 520 GLU 65) 6.68000000 +0 65.39299800 +0 32.70900000 +0 -0.3870 C( 521 GLU 65) 7.97200000 +0 66.13700100 +0 32.45399900 +0 0.6451 O( 522 GLU 65) 8.33300000 +0 67.02700000 +0 33.25000000 +0 -0.5770 O( 523 GLU 65) 8.63700000 +0 65.83599900 +0 31.43800000 +0 -0.4860 N( 524 GLY* 66) 2.74800000 +0 64.64099900 +0 32.36299900 +0 -0.4388 C( 525 GLY* 66) 2.16600000 +0 64.09999800 +0 31.11599900 +0 -0.2120 C( 526 GLY* 66) 2.86800000 +0 62.82400100 +0 30.68700000 +0 0.5650 O( 527 GLY* 66) 2.56400000 +0 62.27100000 +0 29.63600000 +0 -0.6128 N( 528 ASN* 67) 3.82800000 +0 62.30799900 +0 31.43400000 +0 -0.4389 C( 529 ASN* 67) 4.69900000 +0 61.23400100 +0 30.91099900 +0 0.0134 C( 530 ASN* 67) 4.09000000 +0 59.93800000 +0 31.38999900 +0 0.5466 O( 531 ASN* 67) 3.31500000 +0 60.07600000 +0 32.31499900 +0 -0.6195 C( 532 ASN 67) 6.13700000 +0 61.38499800 +0 31.43199900 +0 -0.4925 C( 533 ASN 67) 6.80100000 +0 62.57700000 +0 30.75499900 +0 0.6506 O( 534 ASN 67) 6.63300000 +0 62.64899800 +0 29.54400100 +0 -0.5660 N( 535 ASN 67) 7.49300000 +0 63.43800000 +0 31.52599900 +0 -0.5482 N( 536 LEU* 68) 4.44600000 +0 58.75600100 +0 30.85000000 +0 -0.4420 C( 537 LEU* 68) 3.96700000 +0 57.52700000 +0 31.48100100 +0 -0.0526 C( 538 LEU* 68) 4.32500000 +0 57.38900000 +0 32.97100100 +0 0.5861 O( 539 LEU* 68) 5.47200000 +0 57.68899900 +0 33.31800100 +0 -0.6892 C( 540 LEU 68) 4.65200000 +0 56.39300200 +0 30.71699900 +0 -0.3448 C( 541 LEU 68) 4.12300000 +0 54.98799900 +0 31.12299900 +0 0.0646 C( 542 LEU 68) 2.71000000 +0 54.81900000 +0 30.55100100 +0 -0.5538 C( 543 LEU 68) 5.05700000 +0 53.95600100 +0 30.50900100 +0 -0.5332 N( 544 HIS* 69) 3.37200000 +0 57.06800100 +0 33.82899900 +0 -0.4310 C( 545 HIS* 69) 3.63900000 +0 56.66700000 +0 35.19500000 +0 -0.0196 C( 546 HIS* 69) 4.00500000 +0 55.17599900 +0 35.20500200 +0 0.5511 O( 547 HIS* 69) 3.16400000 +0 54.29800000 +0 34.94900100 +0 -0.6539 C( 548 HIS 69) 2.36300000 +0 56.87799800 +0 36.01400000 +0 -0.2678 C( 549 HIS 69) 2.56100000 +0 56.46699900 +0 37.42800100 +0 0.0902 N( 550 HIS 69) 2.67900000 +0 57.48700000 +0 38.39400100 +0 -0.3589 C( 551 HIS 69) 2.58400000 +0 55.31700100 +0 38.09400200 +0 -0.2794 C( 552 HIS 69) 2.82900000 +0 56.90599800 +0 39.56700100 +0 -0.0096 N( 553 HIS 69) 2.77000000 +0 55.59899900 +0 39.42400000 +0 -0.1503 N( 554 HIS* 70) 5.25900000 +0 54.89199800 +0 35.57400100 +0 -0.4896 C( 555 HIS* 70) 5.79300000 +0 53.52899900 +0 35.36500200 +0 -0.0504 C( 556 HIS* 70) 5.10700000 +0 52.55699900 +0 36.27000000 +0 0.5364 O( 557 HIS* 70) 4.88800000 +0 51.39300200 +0 35.92300000 +0 -0.6218 C( 558 HIS 70) 7.33500000 +0 53.53799800 +0 35.55799900 +0 -0.2686 C( 559 HIS 70) 8.10000000 +0 54.30799900 +0 34.57500100 +0 0.0421 N( 560 HIS 70) 9.39800000 +0 54.02899900 +0 34.21699900 +0 -0.3592 C( 561 HIS 70) 7.75200000 +0 55.41600000 +0 33.80300100 +0 -0.2508 C( 562 HIS 70) 9.86400000 +0 54.89899800 +0 33.35800200 +0 -0.0167 N( 563 HIS 70) 8.85700000 +0 55.71900200 +0 33.03500000 +0 -0.1735 N( 564 GLY* 71) 4.78200000 +0 52.95200000 +0 37.49200100 +0 -0.4179 C( 565 GLY* 71) 4.16700000 +0 52.05799900 +0 38.46600000 +0 -0.2364 C( 566 GLY* 71) 2.78600000 +0 51.62900200 +0 37.95100000 +0 0.5557 O( 567 GLY* 71) 2.40500000 +0 50.44699900 +0 37.93299900 +0 -0.6116 N( 568 ASN* 72) 1.98000000 +0 52.60200100 +0 37.54999900 +0 -0.4494 C( 569 ASN* 72) 0.65000000 +0 52.16099900 +0 37.14300200 +0 -0.0420 C( 570 ASN* 72) 0.66900000 +0 51.48300200 +0 35.72800100 +0 0.5201 O( 571 ASN* 72) -0.26600000 +0 50.73799900 +0 35.46400100 +0 -0.6309 C( 572 ASN 72) -0.34500000 +0 53.30400100 +0 37.06100100 +0 -0.4669 C( 573 ASN 72) -0.50600000 +0 53.96099900 +0 38.42699800 +0 0.6176 O( 574 ASN 72) -0.27700000 +0 53.32300200 +0 39.44400000 +0 -0.6030 N( 575 ASN 72) -0.86000000 +0 55.21300100 +0 38.41000000 +0 -0.5235 N( 576 ALA* 73) 1.61000000 +0 51.87200200 +0 34.90599800 +0 -0.4252 C( 577 ALA* 73) 1.74300000 +0 51.20900000 +0 33.62099800 +0 -0.0079 C( 578 ALA* 73) 2.14900000 +0 49.74599800 +0 33.84400200 +0 0.5495 O( 579 ALA* 73) 1.62300000 +0 48.83800100 +0 33.19300100 +0 -0.6116 C( 580 ALA 73) 2.72600000 +0 51.84199900 +0 32.70800000 +0 -0.5400 N( 581 MET* 74) 3.05000000 +0 49.52199900 +0 34.83700200 +0 -0.5064 C( 582 MET* 74) 3.37200000 +0 48.14500000 +0 35.14199800 +0 -0.0385 C( 583 MET* 74) 2.13200000 +0 47.38800000 +0 35.56300000 +0 0.5651 O( 584 MET* 74) 1.93500000 +0 46.20999900 +0 35.21500000 +0 -0.6365 C( 585 MET 74) 4.46800000 +0 48.22300000 +0 36.25899900 +0 -0.2740 C( 586 MET 74) 4.78700000 +0 46.82899900 +0 36.72399900 +0 -0.2996 S( 587 MET 74) 5.73100000 +0 45.75299800 +0 35.62300100 +0 -0.0474 C( 588 MET 74) 7.34600000 +0 46.48899800 +0 35.70000100 +0 -0.5167 N( 589 GLU* 75) 1.32100000 +0 47.95900000 +0 36.47499800 +0 -0.4568 C( 590 GLU* 75) 0.10000000 +0 47.29299900 +0 36.92699800 +0 -0.0618 C( 591 GLU* 75) -0.86500000 +0 46.96099900 +0 35.76599900 +0 0.5976 O( 592 GLU* 75) -1.34600000 +0 45.84999800 +0 35.72399900 +0 -0.6442 C( 593 GLU 75) -0.63600000 +0 48.20500200 +0 37.94699900 +0 -0.2309 C( 594 GLU 75) 0.28000000 +0 48.13399900 +0 39.24000200 +0 -0.4901 C( 595 GLU 75) -0.42700000 +0 48.79100000 +0 40.42200100 +0 0.6641 O( 596 GLU 75) -1.55100000 +0 49.31800100 +0 40.25400200 +0 -0.4998 O( 597 GLU 75) 0.18800000 +0 48.71500000 +0 41.51800200 +0 -0.4760 N( 598 PHE* 76) -1.03500000 +0 47.90900000 +0 34.85900100 +0 -0.4747 C( 599 PHE* 76) -1.94900000 +0 47.66600000 +0 33.73799900 +0 -0.0053 C( 600 PHE* 76) -1.38300000 +0 46.52800000 +0 32.89500000 +0 0.5847 O( 601 PHE* 76) -2.05900000 +0 45.61899900 +0 32.46699900 +0 -0.6150 C( 602 PHE 76) -2.00100000 +0 48.94400000 +0 32.86200000 +0 -0.3499 C( 603 PHE 76) -2.87900000 +0 48.77399800 +0 31.65000000 +0 0.1309 C( 604 PHE 76) -4.23400000 +0 48.83800100 +0 31.67400000 +0 -0.2719 C( 605 PHE 76) -2.20200000 +0 48.56600200 +0 30.45000100 +0 -0.1829 C( 606 PHE 76) -4.97500000 +0 48.65100100 +0 30.50000000 +0 -0.1086 C( 607 PHE 76) -2.90300000 +0 48.35100200 +0 29.24900100 +0 -0.1217 C( 608 PHE 76) -4.29300000 +0 48.38299900 +0 29.32399900 +0 -0.1642 N( 609 ALA* 77) -0.05300000 +0 46.57199900 +0 32.60699800 +0 -0.5036 C( 610 ALA* 77) 0.49400000 +0 45.55300100 +0 31.70299900 +0 0.0129 C( 611 ALA* 77) 0.40900000 +0 44.15599800 +0 32.31900000 +0 0.5377 O( 612 ALA* 77) -0.00900000 +0 43.15000200 +0 31.68700000 +0 -0.6539 C( 613 ALA 77) 1.91300000 +0 45.94500000 +0 31.30600000 +0 -0.4951 N( 614 LYS* 78) 0.68100000 +0 44.04100000 +0 33.62300100 +0 -0.4171 C( 615 LYS* 78) 0.62800000 +0 42.76100200 +0 34.29700100 +0 -0.1233 C( 616 LYS* 78) -0.82000000 +0 42.24100100 +0 34.45700100 +0 0.5624 O( 617 LYS* 78) -1.09000000 +0 41.05500000 +0 34.37300100 +0 -0.6217 C( 618 LYS 78) 1.25000000 +0 42.84800000 +0 35.72499800 +0 -0.2295 C( 619 LYS 78) 2.75200000 +0 43.07400100 +0 35.59299900 +0 -0.2842 C( 620 LYS 78) 3.69100000 +0 42.42900100 +0 36.61800000 +0 -0.2764 C( 621 LYS 78) 3.97500000 +0 41.00500100 +0 36.09899900 +0 -0.1176 N( 622 LYS 78) 4.33900000 +0 40.12900200 +0 37.25999800 +0 -0.5567 N( 623 LYS* 79) -1.71700000 +0 43.18700000 +0 34.73300200 +0 -0.4531 C( 624 LYS* 79) -3.13500000 +0 42.82300200 +0 34.85400000 +0 -0.0548 C( 625 LYS* 79) -3.59700000 +0 42.10100200 +0 33.58100100 +0 0.5413 O( 626 LYS* 79) -4.35200000 +0 41.12300100 +0 33.61999900 +0 -0.5651 C( 627 LYS 79) -3.95300000 +0 44.10100200 +0 34.98400100 +0 -0.2980 C( 628 LYS 79) -5.46400000 +0 44.00899900 +0 34.94100200 +0 -0.2849 C( 629 LYS 79) -6.12000000 +0 45.37300100 +0 35.20299900 +0 -0.2479 C( 630 LYS 79) -7.62600000 +0 45.17599900 +0 35.48400100 +0 -0.1453 N( 631 LYS 79) -8.13100000 +0 46.43000000 +0 36.11800000 +0 -0.5438 N( 632 HIS* 80) -3.13500000 +0 42.60100200 +0 32.43000000 +0 -0.4662 C( 633 HIS* 80) -3.53400000 +0 41.98400100 +0 31.15200000 +0 -0.0280 C( 634 HIS* 80) -2.52300000 +0 40.98000000 +0 30.64900000 +0 0.5741 O( 635 HIS* 80) -2.58300000 +0 40.65900000 +0 29.46800000 +0 -0.6489 C( 636 HIS 80) -3.76600000 +0 43.14500000 +0 30.12700100 +0 -0.2609 C( 637 HIS 80) -4.89900000 +0 43.99499900 +0 30.66799900 +0 0.0797 N( 638 HIS 80) -6.17300000 +0 43.47499800 +0 30.86800000 +0 -0.4091 C( 639 HIS 80) -4.91000000 +0 45.27500200 +0 31.04299900 +0 -0.2372 C( 640 HIS 80) -6.93100000 +0 44.45399900 +0 31.35400000 +0 -0.0081 N( 641 HIS 80) -6.18600000 +0 45.55300100 +0 31.46699900 +0 -0.1638 N( 642 GLY* 81) -1.59000000 +0 40.45200000 +0 31.45599900 +0 -0.4170 C( 643 GLY* 81) -0.90000000 +0 39.22800100 +0 31.15900000 +0 -0.2403 C( 644 GLY* 81) 0.57900000 +0 39.33200100 +0 30.82600000 +0 0.5607 O( 645 GLY* 81) 1.23900000 +0 38.30899800 +0 30.58099900 +0 -0.6526 N( 646 ALA* 82) 1.16000000 +0 40.49800100 +0 30.81200000 +0 -0.4247 C( 647 ALA* 82) 2.59100000 +0 40.62799800 +0 30.58200100 +0 0.0181 C( 648 ALA* 82) 3.36500000 +0 40.11700100 +0 31.80900000 +0 0.5523 O( 649 ALA* 82) 3.04600000 +0 40.51100200 +0 32.91899900 +0 -0.6009 C( 650 ALA 82) 2.99600000 +0 42.07799900 +0 30.32799900 +0 -0.4952 N( 651 ASP* 83) 4.42900000 +0 39.34899900 +0 31.61599900 +0 -0.4491 C( 652 ASP* 83) 5.23500000 +0 39.02100000 +0 32.81399900 +0 -0.0274 C( 653 ASP* 83) 6.11000000 +0 40.23899800 +0 33.08400000 +0 0.5490 O( 654 ASP* 83) 6.10700000 +0 41.22000100 +0 32.32000000 +0 -0.6090 C( 655 ASP 83) 5.94800000 +0 37.73799900 +0 32.55099900 +0 -0.4530 C( 656 ASP 83) 7.00000000 +0 37.71400100 +0 31.48500100 +0 0.7004 O( 657 ASP 83) 7.38300000 +0 38.74599800 +0 30.91099900 +0 -0.6834 O( 658 ASP 83) 7.51000000 +0 36.61899900 +0 31.12999900 +0 -0.4480 N( 659 GLU* 84) 6.94000000 +0 40.15700100 +0 34.12300100 +0 -0.4381 C( 660 GLU* 84) 7.70200000 +0 41.32899900 +0 34.42699800 +0 -0.0690 C( 661 GLU* 84) 8.68500000 +0 41.72600200 +0 33.32400100 +0 0.5644 O( 662 GLU* 84) 8.85200000 +0 42.94100200 +0 33.16500100 +0 -0.6301 C( 663 GLU 84) 8.44600000 +0 41.07199900 +0 35.76100200 +0 -0.2404 C( 664 GLU 84) 9.39600000 +0 42.26100200 +0 36.00400200 +0 -0.3800 C( 665 GLU 84) 9.79200000 +0 42.39300200 +0 37.46300100 +0 0.6123 O( 666 GLU 84) 9.59800000 +0 41.39199800 +0 38.19599900 +0 -0.5542 O( 667 GLU 84) 10.26600000 +0 43.48500100 +0 37.85400000 +0 -0.4867 N( 668 THR* 85) 9.27800000 +0 40.75099900 +0 32.62699900 +0 -0.4208 C( 669 THR* 85) 10.27000000 +0 41.14699900 +0 31.62800000 +0 -0.1533 C( 670 THR* 85) 9.52200000 +0 41.89500000 +0 30.48399900 +0 0.5714 O( 671 THR* 85) 10.09600000 +0 42.90700100 +0 30.08000000 +0 -0.6157 C( 672 THR 85) 10.92300000 +0 39.89500000 +0 31.05100100 +0 0.2109 O( 673 THR 85) 11.64200000 +0 39.28699900 +0 32.16199900 +0 -0.5885 C( 674 THR 85) 11.91900000 +0 40.13600200 +0 29.93800000 +0 -0.5718 N( 675 MET* 86) 8.38100000 +0 41.27399800 +0 30.07799900 +0 -0.4895 C( 676 MET* 86) 7.81100000 +0 42.08000200 +0 28.91200100 +0 -0.0497 C( 677 MET* 86) 7.27800000 +0 43.42200100 +0 29.35100000 +0 0.5364 O( 678 MET* 86) 7.46800000 +0 44.45600100 +0 28.71299900 +0 -0.6365 C( 679 MET 86) 6.69800000 +0 41.17300000 +0 28.36599900 +0 -0.2740 C( 680 MET 86) 5.77300000 +0 41.98700000 +0 27.47300000 +0 -0.3390 S( 681 MET 86) 4.54000000 +0 40.90100100 +0 26.77400000 +0 -0.1064 C( 682 MET 86) 3.86200000 +0 42.15200000 +0 25.59600100 +0 -0.4607 N( 683 ALA* 87) 6.65200000 +0 43.51200100 +0 30.52000000 +0 -0.4395 C( 684 ALA* 87) 6.14200000 +0 44.73899800 +0 31.07600000 +0 -0.0303 C( 685 ALA* 87) 7.19500000 +0 45.83599900 +0 31.12500000 +0 0.5678 O( 686 ALA* 87) 6.90400000 +0 46.95900000 +0 30.72100100 +0 -0.6142 C( 687 ALA 87) 5.53000000 +0 44.55899800 +0 32.48700000 +0 -0.4855 N( 688 GLN* 88) 8.35400000 +0 45.47800100 +0 31.65800100 +0 -0.4632 C( 689 GLN* 88) 9.46600000 +0 46.42300000 +0 31.76300000 +0 -0.1069 C( 690 GLN* 88) 9.97500000 +0 46.85800200 +0 30.41300000 +0 0.5834 O( 691 GLN* 88) 10.35600000 +0 48.00500100 +0 30.21299900 +0 -0.5887 C( 692 GLN 88) 10.59400000 +0 45.80099900 +0 32.61100000 +0 -0.2060 C( 693 GLN 88) 11.65300000 +0 46.90000200 +0 32.86700100 +0 -0.4178 C( 694 GLN 88) 11.07700000 +0 48.11100000 +0 33.60400000 +0 0.5521 O( 695 GLN 88) 11.11000000 +0 49.30199800 +0 33.14300200 +0 -0.5775 N( 696 GLN 88) 10.58600000 +0 47.86000100 +0 34.78699900 +0 -0.5810 N( 697 GLN* 89) 9.98900000 +0 45.91000000 +0 29.46200000 +0 -0.4970 C( 698 GLN* 89) 10.36300000 +0 46.23899800 +0 28.08900100 +0 -0.0487 C( 699 GLN* 89) 9.40500000 +0 47.25000000 +0 27.45000100 +0 0.5370 O( 700 GLN* 89) 9.79900000 +0 48.18800000 +0 26.75499900 +0 -0.6160 C( 701 GLN 89) 10.54000000 +0 45.00299800 +0 27.20299900 +0 -0.2538 C( 702 GLN 89) 11.03700000 +0 45.49200100 +0 25.84700000 +0 -0.4261 C( 703 GLN 89) 12.08400000 +0 44.66099900 +0 25.17300000 +0 0.6016 O( 704 GLN 89) 12.91700000 +0 45.20000100 +0 24.43600100 +0 -0.5670 N( 705 GLN 89) 12.04900000 +0 43.35200100 +0 25.39100100 +0 -0.5764 N( 706 LEU* 90) 8.10100000 +0 47.08200100 +0 27.73900000 +0 -0.4489 C( 707 LEU* 90) 7.13100000 +0 48.05799900 +0 27.17499900 +0 -0.0477 C( 708 LEU* 90) 7.34300000 +0 49.43100000 +0 27.78300100 +0 0.5574 O( 709 LEU* 90) 7.22100000 +0 50.41000000 +0 27.04600000 +0 -0.6522 C( 710 LEU 90) 5.72700000 +0 47.58100100 +0 27.43499900 +0 -0.3382 C( 711 LEU 90) 5.34200000 +0 46.21099900 +0 26.81900000 +0 0.0217 C( 712 LEU 90) 3.94100000 +0 45.77500200 +0 27.35300100 +0 -0.5019 C( 713 LEU 90) 5.30300000 +0 46.38499800 +0 25.31699900 +0 -0.5165 N( 714 ILE* 91) 7.44300000 +0 49.50600100 +0 29.11000100 +0 -0.4358 C( 715 ILE* 91) 7.78100000 +0 50.77399800 +0 29.81200000 +0 -0.0990 C( 716 ILE* 91) 8.99700000 +0 51.43199900 +0 29.26100000 +0 0.6110 O( 717 ILE* 91) 9.03100000 +0 52.64799900 +0 28.99000000 +0 -0.6698 C( 718 ILE 91) 7.86200000 +0 50.49000200 +0 31.35899900 +0 -0.0597 C( 719 ILE 91) 6.49100000 +0 50.08700200 +0 31.86500000 +0 -0.2534 C( 720 ILE 91) 8.37200000 +0 51.72100100 +0 32.16000000 +0 -0.4662 C( 721 ILE 91) 6.49700000 +0 49.40499900 +0 33.23899800 +0 -0.4603 N( 722 ASP* 92) 10.06400000 +0 50.63200000 +0 29.06300000 +0 -0.4676 C( 723 ASP* 92) 11.31300000 +0 51.24200100 +0 28.54900000 +0 0.0183 C( 724 ASP* 92) 11.10700000 +0 51.71699900 +0 27.12500000 +0 0.5748 O( 725 ASP* 92) 11.74000000 +0 52.67499900 +0 26.69199900 +0 -0.6538 C( 726 ASP 92) 12.48100000 +0 50.25899900 +0 28.51100000 +0 -0.4335 C( 727 ASP 92) 12.92000000 +0 49.68500100 +0 29.83799900 +0 0.6304 O( 728 ASP 92) 12.52300000 +0 50.25799900 +0 30.86700100 +0 -0.5542 O( 729 ASP 92) 13.68400000 +0 48.66999800 +0 29.87999900 +0 -0.5112 N( 730 ILE* 93) 10.28000000 +0 51.01300000 +0 26.30100100 +0 -0.4634 C( 731 ILE* 93) 10.01200000 +0 51.63900000 +0 24.97100100 +0 -0.0827 C( 732 ILE* 93) 9.34900000 +0 52.98099900 +0 25.07300000 +0 0.5669 O( 733 ILE* 93) 9.80100000 +0 53.93299900 +0 24.40300000 +0 -0.6493 C( 734 ILE 93) 9.22600000 +0 50.56200000 +0 24.15000000 +0 -0.0379 C( 735 ILE 93) 10.06800000 +0 49.35300100 +0 23.82200100 +0 -0.2505 C( 736 ILE 93) 8.66900000 +0 51.27899900 +0 22.88900000 +0 -0.4837 C( 737 ILE 93) 9.24200000 +0 48.13399900 +0 23.31399900 +0 -0.4630 N( 738 VAL* 94) 8.27100000 +0 53.06300000 +0 25.86400000 +0 -0.4339 C( 739 VAL* 94) 7.51300000 +0 54.27399800 +0 26.03599900 +0 -0.1040 C( 740 VAL* 94) 8.42600000 +0 55.39799900 +0 26.49200100 +0 0.5676 O( 741 VAL* 94) 8.48800000 +0 56.48000000 +0 25.95200000 +0 -0.6529 C( 742 VAL 94) 6.31800000 +0 54.08700200 +0 26.95100000 +0 -0.0109 C( 743 VAL 94) 5.55100000 +0 55.38900000 +0 27.24200100 +0 -0.4831 C( 744 VAL 94) 5.35300000 +0 53.02299900 +0 26.34800000 +0 -0.5317 N( 745 HIS* 95) 9.23800000 +0 55.09000000 +0 27.50000000 +0 -0.4639 C( 746 HIS* 95) 10.12100000 +0 56.05799900 +0 28.11500000 +0 -0.0288 C( 747 HIS* 95) 11.14800000 +0 56.50400200 +0 27.14100100 +0 0.5372 O( 748 HIS* 95) 11.36500000 +0 57.72800100 +0 26.98000000 +0 -0.6734 C( 749 HIS 95) 10.64000000 +0 55.44200100 +0 29.41500100 +0 -0.2737 C( 750 HIS 95) 11.48700000 +0 56.41799900 +0 30.20900000 +0 0.0962 N( 751 HIS 95) 12.85500000 +0 56.29800000 +0 30.26199900 +0 -0.3416 C( 752 HIS 95) 11.13500000 +0 57.50400200 +0 30.93300100 +0 -0.3101 C( 753 HIS 95) 13.33500000 +0 57.28400000 +0 31.01600100 +0 -0.0238 N( 754 HIS 95) 12.32900000 +0 58.00500100 +0 31.43400000 +0 -0.1524 N( 755 GLY* 96) 11.81900000 +0 55.64699900 +0 26.38100100 +0 -0.3970 C( 756 GLY* 96) 12.67100000 +0 55.97499800 +0 25.25900100 +0 -0.2129 C( 757 GLY* 96) 11.98400000 +0 56.81600200 +0 24.18700000 +0 0.5712 O( 758 GLY* 96) 12.62900000 +0 57.75400200 +0 23.67100000 +0 -0.6240 N( 759 CYS* 97) 10.75300000 +0 56.41600000 +0 23.81600000 +0 -0.4682 C( 760 CYS* 97) 9.97800000 +0 57.24300000 +0 22.85899900 +0 -0.0320 C( 761 CYS* 97) 9.59000000 +0 58.59600100 +0 23.37999900 +0 0.5576 O( 762 CYS* 97) 9.45500000 +0 59.57400100 +0 22.60400000 +0 -0.6547 C( 763 CYS 97) 8.68000000 +0 56.40200000 +0 22.54900000 +0 -0.3678 S( 764 CYS 97) 9.21300000 +0 55.01699800 +0 21.50200100 +0 -0.0124 N( 765 GLU* 98) 9.45200000 +0 58.77100000 +0 24.69100000 +0 -0.4526 C( 766 GLU* 98) 9.21800000 +0 60.12099800 +0 25.24799900 +0 -0.0338 C( 767 GLU* 98) 10.45400000 +0 61.00400200 +0 25.08900100 +0 0.5420 O( 768 GLU* 98) 10.35300000 +0 62.24100100 +0 25.06800100 +0 -0.6409 C( 769 GLU 98) 8.73600000 +0 60.14300200 +0 26.70900000 +0 -0.2516 C( 770 GLU 98) 7.48800000 +0 59.31900000 +0 26.94300100 +0 -0.4093 C( 771 GLU 98) 7.00800000 +0 59.12599900 +0 28.36500000 +0 0.7015 O( 772 GLU 98) 7.88600000 +0 59.07400100 +0 29.26199900 +0 -0.5938 O( 773 GLU 98) 5.76900000 +0 59.01900100 +0 28.60000000 +0 -0.5210 N( 774 LYS* 99) 11.63100000 +0 60.39899800 +0 25.03100000 +0 -0.4025 C( 775 LYS* 99) 12.87400000 +0 61.12799800 +0 24.88100100 +0 -0.0863 C( 776 LYS* 99) 13.17100000 +0 61.43100000 +0 23.42400000 +0 0.5364 O( 777 LYS* 99) 13.65000000 +0 62.51200100 +0 23.09400000 +0 -0.6092 C( 778 LYS 99) 14.07700000 +0 60.39199800 +0 25.48600000 +0 -0.2824 C( 779 LYS 99) 13.98800000 +0 60.08800100 +0 26.96500000 +0 -0.2776 C( 780 LYS 99) 14.03500000 +0 61.32300200 +0 27.84300000 +0 -0.3111 C( 781 LYS 99) 12.64900000 +0 61.83200100 +0 28.19800000 +0 -0.1470 N( 782 LYS 99) 11.86800000 +0 60.82199900 +0 28.96400100 +0 -0.5684 N( 783 SER*100) 12.84900000 +0 60.50299800 +0 22.52899900 +0 -0.4307 C( 784 SER*100) 13.35200000 +0 60.59500100 +0 21.16900100 +0 -0.1403 C( 785 SER*100) 12.35300000 +0 61.44400000 +0 20.36400000 +0 0.5720 O( 786 SER*100) 12.70000000 +0 61.88000100 +0 19.28500000 +0 -0.5866 C( 787 SER 100) 13.46800000 +0 59.21099900 +0 20.54600000 +0 0.0169 O( 788 SER 100) 12.17100000 +0 58.63800000 +0 20.55100100 +0 -0.5636 N( 789 THR*101) 11.14400000 +0 61.65900000 +0 20.88600000 +0 -0.4173 C( 790 THR*101) 10.19700000 +0 62.42300000 +0 20.03500000 +0 -0.1627 C( 791 THR*101) 10.47000000 +0 63.91099900 +0 20.25200100 +0 0.5770 O( 792 THR*101) 10.47800000 +0 64.27600100 +0 21.41700000 +0 -0.6378 C( 793 THR 101) 8.77200000 +0 62.14500000 +0 20.49300000 +0 0.2452 O( 794 THR 101) 8.51400000 +0 60.72900000 +0 20.45700100 +0 -0.6235 C( 795 THR 101) 7.69700000 +0 62.79000100 +0 19.61700100 +0 -0.5309 N( 796 PRO*102) 10.53600000 +0 64.73799900 +0 19.21999900 +0 -0.3119 C( 797 PRO*102) 10.66200000 +0 66.18900300 +0 19.38699900 +0 -0.0594 C( 798 PRO*102) 9.66300000 +0 66.77100400 +0 20.36200000 +0 0.5715 O( 799 PRO*102) 8.46200000 +0 66.45500200 +0 20.43000000 +0 -0.6207 C( 800 PRO 102) 10.44200000 +0 66.75800300 +0 17.98100100 +0 -0.2875 C( 801 PRO 102) 10.89600000 +0 65.63200400 +0 17.09000000 +0 -0.3034 C( 802 PRO 102) 10.40200000 +0 64.35900100 +0 17.80200000 +0 -0.0838 N( 803 ALA*103) 10.13400000 +0 67.66600000 +0 21.22800100 +0 -0.4177 C( 804 ALA*103) 9.18900000 +0 68.36200000 +0 22.10600100 +0 -0.0049 C( 805 ALA*103) 8.15000000 +0 69.04399900 +0 21.21200000 +0 0.5707 O( 806 ALA*103) 8.44800000 +0 69.26499900 +0 20.03300100 +0 -0.6259 C( 807 ALA 103) 9.91800000 +0 69.34300200 +0 23.00300000 +0 -0.5141 N( 808 ASN*104) 6.97800000 +0 69.26999700 +0 21.78100000 +0 -0.4397 C( 809 ASN*104) 5.85300000 +0 69.91799900 +0 21.14500000 +0 -0.0115 C( 810 ASN*104) 4.88100000 +0 70.45700100 +0 22.17799900 +0 0.5557 O( 811 ASN*104) 4.65900000 +0 69.76799800 +0 23.17300000 +0 -0.5532 C( 812 ASN 104) 5.03400000 +0 68.89900200 +0 20.34100000 +0 -0.5072 C( 813 ASN 104) 4.25100000 +0 69.54100000 +0 19.21600000 +0 0.6482 O( 814 ASN 104) 3.30400000 +0 70.31199600 +0 19.45100000 +0 -0.6662 N( 815 ASN 104) 4.70200000 +0 69.19000200 +0 18.01600100 +0 -0.5280 N( 816 ASP*105) 4.23800000 +0 71.60700200 +0 21.96999900 +0 -0.4678 C( 817 ASP*105) 3.24500000 +0 72.13900000 +0 22.89500000 +0 0.0049 C( 818 ASP*105) 1.82400000 +0 71.67600300 +0 22.55600000 +0 0.5253 O( 819 ASP*105) 0.90700000 +0 71.76799800 +0 23.37900000 +0 -0.5746 C( 820 ASP 105) 3.30600000 +0 73.66400100 +0 22.95700100 +0 -0.4247 C( 821 ASP 105) 4.56500000 +0 74.30899800 +0 23.49500100 +0 0.6326 O( 822 ASP 105) 5.28700000 +0 73.79900400 +0 24.38999900 +0 -0.5479 O( 823 ASP 105) 4.88600000 +0 75.42099800 +0 23.00600100 +0 -0.4742 N( 824 ASP*106) 1.59100000 +0 71.12699900 +0 21.35700000 +0 -0.4599 C( 825 ASP*106) 0.34200000 +0 70.37400100 +0 21.15500100 +0 0.0138 C( 826 ASP*106) 0.55600000 +0 68.96800200 +0 21.76100000 +0 0.5218 O( 827 ASP*106) 1.38000000 +0 68.20999900 +0 21.24900100 +0 -0.6338 C( 828 ASP 106) -0.06000000 +0 70.25599700 +0 19.69100000 +0 -0.4806 C( 829 ASP 106) -1.43900000 +0 69.64299800 +0 19.51800000 +0 0.6646 O( 830 ASP 106) -1.84800000 +0 68.77800000 +0 20.29999900 +0 -0.5825 O( 831 ASP 106) -2.23300000 +0 70.00199900 +0 18.62500000 +0 -0.4657 N( 832 LYS*107) -0.16500000 +0 68.63800000 +0 22.78900000 +0 -0.4011 C( 833 LYS*107) 0.00600000 +0 67.38800000 +0 23.51700000 +0 -0.0700 C( 834 LYS*107) -0.53500000 +0 66.19400000 +0 22.71999900 +0 0.5803 O( 835 LYS*107) 0.08500000 +0 65.13300300 +0 22.70999900 +0 -0.6302 C( 836 LYS 107) -0.73400000 +0 67.46499600 +0 24.86200000 +0 -0.3170 C( 837 LYS 107) 0.05300000 +0 68.26300000 +0 25.90399900 +0 -0.2424 C( 838 LYS 107) -0.69500000 +0 68.44300100 +0 27.20800000 +0 -0.2813 C( 839 LYS 107) 0.14500000 +0 69.27600100 +0 28.16900100 +0 -0.1102 N( 840 LYS 107) -0.55000000 +0 69.48899800 +0 29.46600000 +0 -0.5566 N( 841 CYS*108) -1.68400000 +0 66.36599700 +0 22.09000000 +0 -0.4636 C( 842 CYS*108) -2.23900000 +0 65.46099900 +0 21.10100000 +0 0.0354 C( 843 CYS*108) -1.20700000 +0 65.09700000 +0 20.04800000 +0 0.5005 O( 844 CYS*108) -0.98600000 +0 63.88000100 +0 19.81500100 +0 -0.6209 C( 845 CYS 108) -3.55800000 +0 66.02300300 +0 20.50499900 +0 -0.4352 S( 846 CYS 108) -4.91000000 +0 66.21299700 +0 21.64100100 +0 0.0305 N( 847 ILE*109) -0.49800000 +0 66.01999700 +0 19.41099900 +0 -0.4257 C( 848 ILE*109) 0.54000000 +0 65.68100000 +0 18.45999900 +0 -0.0826 C( 849 ILE*109) 1.72000000 +0 64.94300100 +0 19.07500100 +0 0.5493 O( 850 ILE*109) 2.26200000 +0 63.98000000 +0 18.51100000 +0 -0.6145 C( 851 ILE 109) 1.03300000 +0 66.90499900 +0 17.68300100 +0 -0.0477 C( 852 ILE 109) -0.15500000 +0 67.56300400 +0 16.95400000 +0 -0.2790 C( 853 ILE 109) 2.13900000 +0 66.60800200 +0 16.70700100 +0 -0.4761 C( 854 ILE 109) 0.13200000 +0 68.94999700 +0 16.42400000 +0 -0.4681 N( 855 TRP*110) 2.15900000 +0 65.36000100 +0 20.26000000 +0 -0.4689 C( 856 TRP*110) 3.36700000 +0 64.74600200 +0 20.85500000 +0 -0.0018 C( 857 TRP*110) 2.97400000 +0 63.28500000 +0 21.18899900 +0 0.5769 O( 858 TRP*110) 3.79700000 +0 62.40399900 +0 20.98600000 +0 -0.6171 C( 859 TRP 110) 3.80400000 +0 65.53700300 +0 22.06699900 +0 -0.2918 C( 860 TRP 110) 4.96500000 +0 64.98300200 +0 22.85300100 +0 -0.0888 C( 861 TRP 110) 6.29400000 +0 65.12500000 +0 22.62500000 +0 -0.1172 C( 862 TRP 110) 4.83700000 +0 64.19699900 +0 24.03000100 +0 -0.0692 N( 863 TRP 110) 7.03200000 +0 64.45500200 +0 23.58600000 +0 -0.2140 C( 864 TRP 110) 6.14400000 +0 63.88100100 +0 24.45299900 +0 0.0958 C( 865 TRP 110) 3.74000000 +0 63.69400000 +0 24.75300000 +0 -0.0901 C( 866 TRP 110) 6.39900000 +0 63.11000100 +0 25.57500100 +0 -0.2476 C( 867 TRP 110) 4.01800000 +0 62.95399900 +0 25.88999900 +0 -0.2353 C( 868 TRP 110) 5.33000000 +0 62.68500100 +0 26.29400100 +0 -0.0914 N( 869 THR*111) 1.73900000 +0 63.12400100 +0 21.66099900 +0 -0.4751 C( 870 THR*111) 1.32000000 +0 61.77100000 +0 22.07000000 +0 -0.1492 C( 871 THR*111) 1.25000000 +0 60.89400100 +0 20.81600000 +0 0.5836 O( 872 THR*111) 1.51000000 +0 59.69800200 +0 20.81500100 +0 -0.6383 C( 873 THR 111) -0.01500000 +0 61.82899900 +0 22.75099900 +0 0.2389 O( 874 THR 111) -0.04900000 +0 62.59299900 +0 23.96699900 +0 -0.5718 C( 875 THR 111) -0.60900000 +0 60.48899800 +0 23.19300100 +0 -0.4877 N( 876 LEU*112) 0.86300000 +0 61.48300200 +0 19.68000000 +0 -0.4750 C( 877 LEU*112) 0.86100000 +0 60.76900100 +0 18.40700000 +0 -0.0331 C( 878 LEU*112) 2.27200000 +0 60.35800200 +0 18.09100000 +0 0.5396 O( 879 LEU*112) 2.35100000 +0 59.16500100 +0 17.76499900 +0 -0.6625 C( 880 LEU 112) 0.23800000 +0 61.59100000 +0 17.27300100 +0 -0.3222 C( 881 LEU 112) -0.01800000 +0 60.83100100 +0 15.95900000 +0 0.0236 C( 882 LEU 112) -1.00500000 +0 59.67699800 +0 16.20999900 +0 -0.4841 C( 883 LEU 112) -0.64100000 +0 61.74100100 +0 14.91600000 +0 -0.4917 N( 884 GLY*113) 3.31600000 +0 61.18100000 +0 18.24300000 +0 -0.3796 C( 885 GLY*113) 4.66400000 +0 60.83400000 +0 18.03000100 +0 -0.2538 C( 886 GLY*113) 5.18800000 +0 59.71799900 +0 18.98300000 +0 0.5735 O( 887 GLY*113) 5.81900000 +0 58.78300100 +0 18.46900000 +0 -0.6819 N( 888 VAL*114) 4.86400000 +0 59.75700000 +0 20.21500000 +0 -0.3994 C( 889 VAL*114) 5.26300000 +0 58.70900000 +0 21.16600000 +0 -0.1017 C( 890 VAL*114) 4.52500000 +0 57.40900000 +0 20.80100100 +0 0.5687 O( 891 VAL*114) 5.18700000 +0 56.38499800 +0 20.68499900 +0 -0.6591 C( 892 VAL 114) 4.88900000 +0 59.08300000 +0 22.60800000 +0 0.0178 C( 893 VAL 114) 5.20800000 +0 57.87500000 +0 23.52300100 +0 -0.4790 C( 894 VAL 114) 5.68900000 +0 60.31800100 +0 22.97300000 +0 -0.5398 N( 895 ALA*115) 3.26000000 +0 57.52700000 +0 20.46299900 +0 -0.4655 C( 896 ALA*115) 2.59000000 +0 56.28099800 +0 20.00300000 +0 -0.0067 C( 897 ALA*115) 3.11900000 +0 55.72000100 +0 18.71900000 +0 0.5383 O( 898 ALA*115) 3.21400000 +0 54.45200000 +0 18.53300100 +0 -0.6928 C( 899 ALA 115) 1.07400000 +0 56.45299900 +0 19.90600000 +0 -0.4994 N( 900 THR*116) 3.53800000 +0 56.52299900 +0 17.73200000 +0 -0.3839 C( 901 THR*116) 4.07600000 +0 55.97000100 +0 16.51700000 +0 -0.2270 C( 902 THR*116) 5.45700000 +0 55.37900200 +0 16.75900100 +0 0.6008 O( 903 THR*116) 5.75100000 +0 54.35100200 +0 16.15900000 +0 -0.6585 C( 904 THR 116) 3.96200000 +0 56.81600200 +0 15.24500000 +0 0.2780 O( 905 THR 116) 5.19400000 +0 57.24900100 +0 14.75400000 +0 -0.5777 C( 906 THR 116) 2.97500000 +0 57.93800000 +0 15.41300000 +0 -0.5760 N( 907 CYS*117) 6.24800000 +0 55.97600200 +0 17.63900000 +0 -0.4614 C( 908 CYS*117) 7.54800000 +0 55.38200000 +0 17.99600000 +0 -0.0316 C( 909 CYS*117) 7.36100000 +0 54.03900100 +0 18.73000000 +0 0.5827 O( 910 CYS*117) 8.11100000 +0 53.13700100 +0 18.41400000 +0 -0.5947 C( 911 CYS 117) 8.22000000 +0 56.39500000 +0 18.96500000 +0 -0.3503 S( 912 CYS 117) 9.81600000 +0 55.92599900 +0 19.72500000 +0 0.0231 N( 913 PHE*118) 6.38200000 +0 54.00899900 +0 19.60400000 +0 -0.4686 C( 914 PHE*118) 6.06200000 +0 52.78200100 +0 20.35000000 +0 -0.0038 C( 915 PHE*118) 5.66900000 +0 51.66700000 +0 19.34400000 +0 0.5640 O( 916 PHE*118) 6.20900000 +0 50.57799900 +0 19.31100100 +0 -0.6403 C( 917 PHE 118) 4.93200000 +0 53.00199900 +0 21.31399900 +0 -0.3762 C( 918 PHE 118) 4.47400000 +0 51.77399800 +0 22.06900000 +0 0.0976 C( 919 PHE 118) 5.18600000 +0 51.32899900 +0 23.14800100 +0 -0.2311 C( 920 PHE 118) 3.34800000 +0 51.05699900 +0 21.66400000 +0 -0.1720 C( 921 PHE 118) 4.74200000 +0 50.20100000 +0 23.82799900 +0 -0.0928 C( 922 PHE 118) 2.87100000 +0 49.93899900 +0 22.37400100 +0 -0.1468 C( 923 PHE 118) 3.62100000 +0 49.47100100 +0 23.46200000 +0 -0.1794 N( 924 LYS*119) 4.66500000 +0 51.92900100 +0 18.49799900 +0 -0.4854 C( 925 LYS*119) 4.31300000 +0 50.99200100 +0 17.44599900 +0 -0.0348 C( 926 LYS*119) 5.52100000 +0 50.50500100 +0 16.69199900 +0 0.5647 O( 927 LYS*119) 5.58400000 +0 49.30899800 +0 16.36800000 +0 -0.6677 C( 928 LYS 119) 3.20300000 +0 51.66199900 +0 16.54000100 +0 -0.2347 C( 929 LYS 119) 2.98500000 +0 50.87799800 +0 15.20600000 +0 -0.3083 C( 930 LYS 119) 1.61200000 +0 51.42599900 +0 14.62500000 +0 -0.2007 C( 931 LYS 119) 1.67900000 +0 51.38999900 +0 13.07800000 +0 -0.1009 N( 932 LYS 119) 1.47500000 +0 49.90399900 +0 12.69000000 +0 -0.5799 N( 933 ALA*120) 6.38500000 +0 51.36200000 +0 16.12700100 +0 -0.4190 C( 934 ALA*120) 7.56900000 +0 50.94400000 +0 15.38200000 +0 -0.0039 C( 935 ALA*120) 8.48700000 +0 49.97200000 +0 16.13800000 +0 0.5501 O( 936 ALA*120) 8.97100000 +0 48.96400100 +0 15.57600000 +0 -0.6976 C( 937 ALA 120) 8.47700000 +0 52.07700000 +0 14.88400000 +0 -0.5222 N( 938 GLU*121) 8.66900000 +0 50.18299900 +0 17.41600000 +0 -0.3976 C( 939 GLU*121) 9.50900000 +0 49.28300100 +0 18.20000100 +0 -0.1222 C( 940 GLU*121) 8.80100000 +0 47.98600000 +0 18.46200000 +0 0.5581 O( 941 GLU*121) 9.49600000 +0 46.99499900 +0 18.49700000 +0 -0.6521 C( 942 GLU 121) 9.82100000 +0 49.88000100 +0 19.60500000 +0 -0.2314 C( 943 GLU 121) 10.82000000 +0 51.01400000 +0 19.56300000 +0 -0.4072 C( 944 GLU 121) 12.11800000 +0 50.79999900 +0 18.86300100 +0 0.6607 O( 945 GLU 121) 12.55100000 +0 51.72600200 +0 18.14500000 +0 -0.6391 O( 946 GLU 121) 12.72300000 +0 49.72399900 +0 19.00600100 +0 -0.4327 N( 947 ILE*122) 7.49900000 +0 47.97700100 +0 18.62900000 +0 -0.4206 C( 948 ILE*122) 6.76600000 +0 46.68899900 +0 18.78599900 +0 -0.0704 C( 949 ILE*122) 6.79000000 +0 45.87099800 +0 17.49500100 +0 0.5531 O( 950 ILE*122) 7.06300000 +0 44.63999900 +0 17.49399900 +0 -0.6745 C( 951 ILE 122) 5.31000000 +0 46.97499800 +0 19.22200000 +0 -0.0576 C( 952 ILE 122) 5.27900000 +0 47.62699900 +0 20.64900000 +0 -0.2407 C( 953 ILE 122) 4.44700000 +0 45.70900000 +0 19.16099900 +0 -0.4788 C( 954 ILE 122) 5.72900000 +0 46.63399900 +0 21.73000000 +0 -0.4639 N( 955 HIS*123) 6.71400000 +0 46.55600000 +0 16.31900000 +0 -0.4225 C( 956 HIS*123) 7.02900000 +0 45.86500200 +0 15.08300000 +0 -0.0673 C( 957 HIS*123) 8.41300000 +0 45.31800100 +0 15.03000000 +0 0.5510 O( 958 HIS*123) 8.61800000 +0 44.16700000 +0 14.56100000 +0 -0.7043 C( 959 HIS 123) 6.73300000 +0 46.70399900 +0 13.78600000 +0 -0.2665 C( 960 HIS 123) 5.28000000 +0 46.90200000 +0 13.56800000 +0 0.0412 N( 961 HIS 123) 4.33300000 +0 45.95000100 +0 13.18300000 +0 -0.4230 C( 962 HIS 123) 4.59600000 +0 48.07000000 +0 13.64100000 +0 -0.1570 C( 963 HIS 123) 3.14800000 +0 46.50500100 +0 13.07400000 +0 0.0030 N( 964 HIS 123) 3.26800000 +0 47.85100200 +0 13.34000000 +0 -0.2508 N( 965 LYS*124) 9.48300000 +0 46.03400000 +0 15.39600000 +0 -0.3886 C( 966 LYS*124) 10.83200000 +0 45.52600100 +0 15.42000000 +0 -0.0876 C( 967 LYS*124) 11.01300000 +0 44.29499800 +0 16.28599900 +0 0.5452 O( 968 LYS*124) 11.80700000 +0 43.39799900 +0 15.98400000 +0 -0.5890 C( 969 LYS 124) 11.98300000 +0 46.45700100 +0 15.90500000 +0 -0.3017 C( 970 LYS 124) 12.33200000 +0 47.51300000 +0 14.88400000 +0 -0.2452 C( 971 LYS 124) 13.18100000 +0 48.62599900 +0 15.47900000 +0 -0.2804 C( 972 LYS 124) 13.24500000 +0 49.82700000 +0 14.54900000 +0 -0.1279 N( 973 LYS 124) 11.90000000 +0 50.42400000 +0 14.31900000 +0 -0.5633 N( 974 LEU*125) 10.30200000 +0 44.20700100 +0 17.39800100 +0 -0.4657 C( 975 LEU*125) 10.31700000 +0 42.99300000 +0 18.23100100 +0 -0.0314 C( 976 LEU*125) 9.42100000 +0 41.88299900 +0 17.73000000 +0 0.5785 O( 977 LEU*125) 9.38200000 +0 40.79299900 +0 18.30200000 +0 -0.6197 C( 978 LEU 125) 9.81100000 +0 43.46799900 +0 19.63600000 +0 -0.3568 C( 979 LEU 125) 10.85700000 +0 44.32600000 +0 20.36200000 +0 0.0854 C( 980 LEU 125) 10.23300000 +0 44.89600000 +0 21.64699900 +0 -0.5578 C( 981 LEU 125) 12.05400000 +0 43.48099900 +0 20.78500000 +0 -0.5294 N( 982 ASN*126) 8.66600000 +0 42.10500000 +0 16.65000000 +0 -0.4809 C( 983 ASN*126) 7.70500000 +0 41.09600100 +0 16.15200000 +0 0.0017 C( 984 ASN*126) 6.65700000 +0 40.83800100 +0 17.22400100 +0 0.5774 O( 985 ASN*126) 6.22900000 +0 39.71500000 +0 17.45900000 +0 -0.6895 C( 986 ASN 126) 8.34700000 +0 39.75199900 +0 15.67600000 +0 -0.3938 C( 987 ASN 126) 7.27200000 +0 38.95200000 +0 14.92000000 +0 0.6177 O( 988 ASN 126) 7.17700000 +0 37.72000100 +0 14.92600000 +0 -0.6220 N( 989 ASN 126) 6.43200000 +0 39.73000000 +0 14.26100000 +0 -0.5517 N( 990 TRP*127) 6.25300000 +0 41.86399800 +0 18.00900100 +0 -0.4493 C( 991 TRP*127) 5.23300000 +0 41.75099900 +0 19.04400100 +0 0.0206 C( 992 TRP*127) 3.87700000 +0 42.33800100 +0 18.60300100 +0 0.5142 O( 993 TRP*127) 2.91900000 +0 42.36299900 +0 19.36700100 +0 -0.6291 C( 994 TRP 127) 5.68200000 +0 42.41799900 +0 20.34400000 +0 -0.3009 C( 995 TRP 127) 6.73100000 +0 41.67400000 +0 21.10400000 +0 -0.0560 C( 996 TRP 127) 7.42500000 +0 40.53400000 +0 20.81500100 +0 -0.0822 C( 997 TRP 127) 7.26400000 +0 42.15000200 +0 22.39399900 +0 -0.0966 N( 998 TRP 127) 8.36600000 +0 40.28900100 +0 21.79900000 +0 -0.2838 C( 999 TRP 127) 8.22300000 +0 41.25299800 +0 22.78700100 +0 0.1263 C( 1000 TRP 127) 6.94500000 +0 43.26900100 +0 23.17300000 +0 -0.0379 C( 1001 TRP 127) 8.93300000 +0 41.39600000 +0 24.00099900 +0 -0.2846 C( 1002 TRP 127) 7.64800000 +0 43.43299900 +0 24.38800000 +0 -0.2562 C( 1003 TRP 127) 8.58700000 +0 42.49000200 +0 24.77300100 +0 -0.0985 N( 1004 ALA*128) 3.76500000 +0 42.75600100 +0 17.33099900 +0 -0.4338 C( 1005 ALA*128) 2.44200000 +0 43.25000000 +0 16.85300100 +0 -0.0285 C( 1006 ALA*128) 1.58000000 +0 42.05500000 +0 16.39500000 +0 0.5326 O( 1007 ALA*128) 2.02500000 +0 41.22300000 +0 15.63200000 +0 -0.6357 C( 1008 ALA 128) 2.59700000 +0 44.23099900 +0 15.67000000 +0 -0.5146 N( 1009 PRO*129) 0.35800000 +0 42.03300100 +0 16.88699900 +0 -0.2793 C( 1010 PRO*129) -0.58700000 +0 40.94400000 +0 16.54299900 +0 -0.0469 C( 1011 PRO*129) -0.84800000 +0 40.98400100 +0 15.03700000 +0 0.5532 O( 1012 PRO*129) -0.73000000 +0 42.05400100 +0 14.42900000 +0 -0.5980 C( 1013 PRO 129) -1.84500000 +0 41.36899900 +0 17.28400000 +0 -0.3021 C( 1014 PRO 129) -1.40600000 +0 42.22900000 +0 18.39500000 +0 -0.2919 C( 1015 PRO 129) -0.16500000 +0 42.93000000 +0 17.88400100 +0 -0.1228 N( 1016 SER*130) -0.99900000 +0 39.79800000 +0 14.45100000 +0 -0.4464 C( 1017 SER*130) -1.03200000 +0 39.74900100 +0 12.97900000 +0 -0.1190 C( 1018 SER*130) -2.45000000 +0 39.77000000 +0 12.44400000 +0 0.5636 O( 1019 SER*130) -2.62300000 +0 40.50400200 +0 11.45300000 +0 -0.6149 C( 1020 SER 130) -0.35300000 +0 38.39699900 +0 12.59300000 +0 -0.0035 O( 1021 SER 130) -1.12300000 +0 37.42699800 +0 13.33200000 +0 -0.6051 N( 1022 MET*131) -3.38900000 +0 39.11399800 +0 13.10300000 +0 -0.4423 C( 1023 MET*131) -4.74800000 +0 39.20100000 +0 12.47300000 +0 -0.0641 C( 1024 MET*131) -5.66000000 +0 40.12200200 +0 13.27000000 +0 0.5553 O( 1025 MET*131) -6.57300000 +0 40.82300200 +0 12.77800000 +0 -0.6010 C( 1026 MET 131) -5.25100000 +0 37.75299800 +0 12.40600000 +0 -0.2726 C( 1027 MET 131) -6.74700000 +0 37.64099900 +0 12.11300000 +0 -0.3115 S( 1028 MET 131) -6.95100000 +0 38.14400100 +0 10.38900000 +0 -0.0350 C( 1029 MET 131) -5.97100000 +0 36.83400000 +0 9.61600000 +0 -0.5041 N( 1030 ASP*132) -5.56900000 +0 40.12200200 +0 14.57400000 +0 -0.4191 C( 1031 ASP*132) -6.30800000 +0 41.01400000 +0 15.45500000 +0 0.0010 C( 1032 ASP*132) -5.53900000 +0 42.31399900 +0 15.72800000 +0 0.5121 O( 1033 ASP*132) -4.86600000 +0 42.50600100 +0 16.75300000 +0 -0.6440 C( 1034 ASP 132) -6.61700000 +0 40.39300200 +0 16.80600000 +0 -0.5313 C( 1035 ASP 132) -7.33900000 +0 39.05500000 +0 16.67200100 +0 0.6856 O( 1036 ASP 132) -8.01900000 +0 38.88700100 +0 15.64500000 +0 -0.5213 O( 1037 ASP 132) -7.17800000 +0 38.21699900 +0 17.58300000 +0 -0.5044 N( 1038 VAL*133) -5.73100000 +0 43.25299800 +0 14.82700000 +0 -0.3863 C( 1039 VAL*133) -4.89400000 +0 44.41500100 +0 14.80900000 +0 -0.1376 C( 1040 VAL*133) -5.45000000 +0 45.63399900 +0 15.52200000 +0 0.5531 O( 1041 VAL*133) -4.73500000 +0 46.65399900 +0 15.39900000 +0 -0.6994 C( 1042 VAL 133) -4.46600000 +0 44.80400100 +0 13.35300000 +0 0.0613 C( 1043 VAL 133) -3.66600000 +0 43.60100200 +0 12.78500000 +0 -0.5014 C( 1044 VAL 133) -5.59300000 +0 45.19500000 +0 12.43000000 +0 -0.5378 N( 1045 ALA*134) -6.62800000 +0 45.66099900 +0 16.01400000 +0 -0.4063 C( 1046 ALA*134) -7.19400000 +0 46.91700000 +0 16.51899900 +0 0.0062 C( 1047 ALA*134) -6.67400000 +0 47.21300100 +0 17.94000100 +0 0.5714 O( 1048 ALA*134) -6.28100000 +0 46.30400100 +0 18.63699900 +0 -0.6349 C( 1049 ALA 134) -8.71000000 +0 46.81900000 +0 16.53400000 +0 -0.5261 N( 1050 VAL*135) -6.79700000 +0 48.47499800 +0 18.25499900 +0 -0.4222 C( 1051 VAL*135) -6.72800000 +0 48.99300000 +0 19.63999900 +0 -0.0833 C( 1052 VAL*135) -8.18600000 +0 49.31100100 +0 20.01600100 +0 0.5485 O( 1053 VAL*135) -8.88800000 +0 50.00500100 +0 19.25400000 +0 -0.6648 C( 1054 VAL 135) -5.78800000 +0 50.15200000 +0 19.76899900 +0 0.0246 C( 1055 VAL 135) -5.96800000 +0 50.78300100 +0 21.17799900 +0 -0.4825 C( 1056 VAL 135) -4.29700000 +0 49.74300000 +0 19.68800000 +0 -0.5065 N( 1057 GLY*136) -8.60900000 +0 48.71500000 +0 21.09900100 +0 -0.3683 C( 1058 GLY*136) -10.04200000 +0 48.80799900 +0 21.45200000 +0 -0.2819 C( 1059 GLY*136) -10.91200000 +0 47.87200200 +0 20.64100100 +0 0.5601 O( 1060 GLY*136) -10.41300000 +0 46.91700000 +0 20.07399900 +0 -0.5934 N( 1061 GLU*137) -12.21600000 +0 48.13200000 +0 20.65200000 +0 -0.4359 C( 1062 GLU*137) -13.31900000 +0 47.36100000 +0 20.16600000 +0 -0.1046 C( 1063 GLU*137) -14.21100000 +0 48.02000000 +0 19.09199900 +0 0.6062 O( 1064 GLU*137) -14.69100000 +0 49.15800100 +0 19.31399900 +0 -0.5140 C( 1065 GLU 137) -14.41900000 +0 47.27500200 +0 21.25700000 +0 -0.2422 C( 1066 GLU 137) -13.96100000 +0 46.83800100 +0 22.61800000 +0 -0.4689 C( 1067 GLU 137) -14.41000000 +0 45.39799900 +0 22.82799900 +0 0.6739 O( 1068 GLU 137) -14.40000000 +0 44.63999900 +0 21.83400000 +0 -0.5018 O( 1069 GLU 137) -14.76200000 +0 45.17100100 +0 23.99399900 +0 -0.4923 O( 1070 GLU 137) -14.54600000 +0 47.28900100 +0 18.12599900 +0 -0.4680 O( 1071 O ) -0.59100000 +0 54.27199900 +0 28.24099900 +0 -0.5569 C( 1072 C ) 0.32700000 +0 55.31800100 +0 28.24399900 +0 0.0331 C( 1073 C ) 0.53000000 +0 56.05799900 +0 26.93400000 +0 -0.3699 C( 1074 C ) 1.75800000 +0 55.69200100 +0 26.11599900 +0 -0.2509 C( 1075 C ) 1.41400000 +0 55.36399800 +0 24.66400000 +0 -0.2442 C( 1076 C ) 1.23700000 +0 53.89500000 +0 24.29299900 +0 -0.2733 C( 1077 C ) 0.97400000 +0 53.67100100 +0 22.80999900 +0 -0.2755 C( 1078 C ) -0.37900000 +0 53.08300000 +0 22.40600000 +0 -0.2823 C( 1079 C ) -0.23400000 +0 51.57600000 +0 22.10000000 +0 -0.2350 C( 1080 C ) -1.56400000 +0 50.81900000 +0 22.09499900 +0 -0.3035 C( 1081 C ) -1.62500000 +0 49.64699900 +0 23.09300000 +0 -0.1179 C( 1082 C ) -0.93100000 +0 49.78099800 +0 24.24700000 +0 -0.1788 C( 1083 C ) -0.81100000 +0 48.89600000 +0 25.35100000 +0 -0.2315 C( 1084 C ) -0.10200000 +0 49.03200100 +0 26.47300000 +0 -0.0881 C( 1085 C ) 0.77900000 +0 50.13399900 +0 26.96600000 +0 -0.3028 C( 1086 C ) 1.57000000 +0 49.79900000 +0 28.21900000 +0 -0.1821 C( 1087 C ) 2.90700000 +0 50.45399900 +0 28.56500100 +0 -0.4669 O( 1088 HOH 138) -2.54900000 +0 35.64400100 +0 11.28700000 +0 -0.6727 O( 1089 HOH 139) -4.36300000 +0 34.22300000 +0 12.62300000 +0 -0.6358 O( 1090 HOH 140) -2.14600000 +0 44.51900100 +0 6.78000000 +0 -0.6774 O( 1091 HOH 141) -1.10900000 +0 42.59700000 +0 10.51500000 +0 -0.7249 O( 1092 HOH 142) 0.85600000 +0 43.12699900 +0 12.52600000 +0 -0.7003 O( 1093 HOH 143) -0.78100000 +0 37.45399900 +0 16.43800000 +0 -0.6819 O( 1094 HOH 144) 4.84000000 +0 53.61800000 +0 13.64500000 +0 -0.7205 O( 1095 HOH 145) 4.54500000 +0 41.55099900 +0 14.77200000 +0 -0.7442 O( 1096 HOH 146) 9.65400000 +0 49.00799900 +0 12.88400000 +0 -0.6792 O( 1097 HOH 147) 3.71700000 +0 51.02800000 +0 10.08900000 +0 -0.6941 O( 1098 HOH 148) 5.45800000 +0 51.11700100 +0 12.36400000 +0 -0.7096 O( 1099 HOH 149) 2.20400000 +0 54.62699900 +0 12.74600000 +0 -0.7143 O( 1100 HOH 150) -0.16900000 +0 43.81300000 +0 8.41300000 +0 -0.7307 O( 1101 HOH 151) 7.25900000 +0 50.27199900 +0 37.31000100 +0 -0.6634 O( 1102 HOH 152) -5.00500000 +0 43.91400100 +0 18.99200100 +0 -0.7037 O( 1103 HOH 153) 4.90600000 +0 43.34100000 +0 12.62200000 +0 -0.7213 O( 1104 HOH 154) -3.73300000 +0 38.08800100 +0 15.77400000 +0 -0.6624 O( 1105 HOH 155) -9.87300000 +0 51.97399900 +0 27.94700100 +0 -0.7005 O( 1106 HOH 156) 8.95700000 +0 37.89300200 +0 28.57900000 +0 -0.6820 O( 1107 HOH 157) 4.47800000 +0 37.99100100 +0 29.19400000 +0 -0.6569 O( 1108 HOH 158) -6.89100000 +0 48.97600200 +0 34.69800200 +0 -0.6807 O( 1109 HOH 159) 6.59200000 +0 56.84100000 +0 37.03699900 +0 -0.7182 O( 1110 HOH 160) 12.61100000 +0 43.61200000 +0 30.49500100 +0 -0.6529 O( 1111 HOH 161) -9.51900000 +0 45.57400100 +0 12.93700000 +0 -0.6571 O( 1112 HOH 162) 9.74700000 +0 49.81499900 +0 36.44599900 +0 -0.6517 O( 1113 HOH 163) 7.21200000 +0 38.24100100 +0 25.04000100 +0 -0.6674 O( 1114 HOH 164) 8.04300000 +0 57.92300000 +0 31.65800100 +0 -0.7144 O( 1115 HOH 165) -8.29900000 +0 43.35500000 +0 16.77000000 +0 -0.7133 O( 1116 HOH 166) -18.86700100 +0 59.29399900 +0 10.54300000 +0 -0.6295 O( 1117 HOH 167) 9.39600000 +0 56.88100100 +0 36.48199800 +0 -0.6344 O( 1118 HOH 168) -7.76700000 +0 47.58900100 +0 32.48300200 +0 -0.6711 O( 1119 HOH 169) -11.10300000 +0 49.77700000 +0 17.73600000 +0 -0.6885 O( 1120 HOH 170) 8.20800000 +0 42.27299900 +0 12.50200000 +0 -0.6644 O( 1121 HOH 171) 12.13000000 +0 53.63499800 +0 22.83600000 +0 -0.6703 O( 1122 HOH 172) -0.91800000 +0 54.04000100 +0 6.52700000 +0 -0.6262 O( 1123 HOH 173) 4.31900000 +0 57.42300000 +0 10.93300000 +0 -0.6614 O( 1124 HOH 174) -15.75200000 +0 57.24900100 +0 16.78300100 +0 -0.6797 O( 1125 HOH 175) 1.29500000 +0 42.28300100 +0 6.54800000 +0 -0.6716 O( 1126 HOH 176) -17.86300100 +0 65.99800100 +0 20.72900000 +0 -0.6727 O( 1127 HOH 177) -17.78500000 +0 55.44699900 +0 15.21200000 +0 -0.6527 O( 1128 HOH 178) 11.01400000 +0 45.76800200 +0 36.41400100 +0 -0.6566 O( 1129 HOH 179) 15.09400000 +0 48.48700000 +0 32.28200100 +0 -0.6292 O( 1130 HOH 180) 8.24900000 +0 50.84100000 +0 11.61300000 +0 -0.6798 O( 1131 HOH 181) -9.35500000 +0 58.38100100 +0 8.89100000 +0 -0.6987 O( 1132 HOH 182) 10.41200000 +0 40.88800000 +0 11.97800000 +0 -0.6614 O( 1133 HOH 183) 14.53600000 +0 53.02999900 +0 27.11400000 +0 -0.6465 O( 1134 HOH 184) -11.12900000 +0 50.76499900 +0 30.39200000 +0 -0.6785 O( 1135 HOH 185) -2.73400000 +0 38.04700100 +0 19.15500100 +0 -0.6695 O( 1136 HOH 186) -8.62800000 +0 43.31499900 +0 13.96100000 +0 -0.7099 O( 1137 HOH 187) -17.44500000 +0 52.09199900 +0 13.36700000 +0 -0.6519 O( 1138 HOH 188) 7.24400000 +0 34.50999800 +0 32.62900200 +0 -0.6358 O( 1139 HOH 189) -9.46200000 +0 48.45900000 +0 30.57200100 +0 -0.6967 O( 1140 HOH 190) -1.73300000 +0 35.86500200 +0 17.96999900 +0 -0.6789 O( 1141 HOH 191) -2.84400000 +0 50.93500100 +0 36.26599900 +0 -0.6384 O( 1142 HOH 192) -3.31900000 +0 59.51599900 +0 34.65599800 +0 -0.6811 O( 1143 HOH 193) 10.04600000 +0 64.60500300 +0 23.84199900 +0 -0.6979 O( 1144 HOH 194) -3.66600000 +0 45.64899800 +0 39.44900100 +0 -0.6666 O( 1145 HOH 195) 9.75700000 +0 39.61299900 +0 26.76600100 +0 -0.7086 O( 1146 HOH 196) -9.30500000 +0 47.03599900 +0 8.87500000 +0 -0.6648 O( 1147 HOH 197) 0.95300000 +0 39.27500200 +0 34.22800100 +0 -0.6716 O( 1148 HOH 198) -12.08700000 +0 46.83200100 +0 17.14200000 +0 -0.6716 O( 1149 HOH 199) 2.65200000 +0 35.00799900 +0 25.73399900 +0 -0.6579 O( 1150 HOH 200) 2.32100000 +0 57.40100100 +0 12.55600000 +0 -0.7046 O( 1151 HOH 201) 6.08100000 +0 55.25899900 +0 11.64200000 +0 -0.6864 O( 1152 HOH 202) 5.25000000 +0 48.09999800 +0 10.48900000 +0 -0.6790 O( 1153 HOH 203) 10.33500000 +0 49.66400100 +0 39.46300100 +0 -0.6423 O( 1154 HOH 204) 4.60200000 +0 36.49599800 +0 19.90099900 +0 -0.6859 O( 1155 HOH 205) 9.95600000 +0 63.21400100 +0 28.45100000 +0 -0.6480 O( 1156 HOH 206) 6.30100000 +0 59.44300100 +0 36.69400000 +0 -0.6271 O( 1157 HOH 207) 7.31300000 +0 45.96300100 +0 10.41300000 +0 -0.6600 O( 1158 HOH 208) -1.64900000 +0 44.67400000 +0 38.07899900 +0 -0.6617 O( 1159 HOH 209) 9.95700000 +0 38.00999800 +0 21.82500100 +0 -0.6277 O( 1160 HOH 210) -7.02400000 +0 58.52800000 +0 5.96500000 +0 -0.6502 O( 1161 HOH 211) -10.76300000 +0 53.48099900 +0 31.24900100 +0 -0.6561 O( 1162 HOH 212) 6.25900000 +0 37.11100000 +0 27.34800000 +0 -0.6913 O( 1163 HOH 213) -7.11600000 +0 36.54100000 +0 19.64900000 +0 -0.6474 O( 1164 HOH 214) 7.58100000 +0 59.05099900 +0 15.89400000 +0 -0.6382 O( 1165 HOH 215) 12.30100000 +0 47.50099900 +0 19.84900100 +0 -0.6536 O( 1166 HOH 216) 3.77200000 +0 48.74200100 +0 40.17499900 +0 -0.6511 O( 1167 HOH 217) 11.61300000 +0 68.40899700 +0 25.80999900 +0 -0.6467 O( 1168 HOH 218) 9.38900000 +0 60.96300100 +0 30.41400000 +0 -0.6892 O( 1169 HOH 219) 5.18800000 +0 65.34200300 +0 28.56500100 +0 -0.6715 O( 1170 HOH 220) -12.06200000 +0 56.52999900 +0 10.59600000 +0 -0.6757 O( 1171 HOH 221) -7.40600000 +0 41.04600100 +0 30.62500000 +0 -0.6655 O( 1172 HOH 222) 5.62800000 +0 34.63299900 +0 26.83200100 +0 -0.6706 O( 1173 HOH 223) -10.62200000 +0 59.49100100 +0 6.92200000 +0 -0.6544 O( 1174 HOH 224) 10.71600000 +0 53.30400100 +0 17.28300100 +0 -0.6593 O( 1175 HOH 225) 9.60100000 +0 66.83699800 +0 25.13500000 +0 -0.7010 O( 1176 HOH 226) -4.69500000 +0 37.46300100 +0 23.80600000 +0 -0.6963 O( 1177 HOH 227) 3.32400000 +0 34.54600100 +0 17.19300100 +0 -0.6518 O( 1178 HOH 228) 11.00600000 +0 42.02700000 +0 27.13299900 +0 -0.6458 O( 1179 HOH 229) 7.42500000 +0 68.71099900 +0 24.45100000 +0 -0.6668 O( 1180 HOH 230) 14.69800000 +0 64.75099900 +0 24.10600100 +0 -0.6471 O( 1181 HOH 231) 9.21700000 +0 59.89400100 +0 17.61599900 +0 -0.6954 O( 1182 HOH 232) -9.64400000 +0 43.77600100 +0 19.08300000 +0 -0.7057 O( 1183 HOH 233) -11.93600000 +0 52.04999900 +0 16.15000000 +0 -0.6700 O( 1184 HOH 234) -5.77500000 +0 49.77199900 +0 6.18700000 +0 -0.6580 O( 1185 HOH 235) 7.17800000 +0 37.24100100 +0 18.50400000 +0 -0.6773 H( 1186 SER* 1) 6.26792658 +1 39.06809012 +1 23.45069478 +1 0.2538 H( 1187 SER* 1) 5.17538984 +1 39.54962278 +1 24.58838500 +1 0.2285 H( 1188 SER* 1) 4.85761599 +1 37.69700786 +1 22.34407875 +1 0.1661 H( 1189 SER 1) 4.43867868 +1 36.87782989 +1 24.57625823 +1 0.1247 H( 1190 SER 1) 3.57102785 +1 38.38174890 +1 25.08043288 +1 0.1668 H( 1191 SER 1) 2.47633194 +1 36.21635976 +1 23.65869914 +1 0.3548 H( 1192 GLN* 2) 3.37105978 +1 37.83150754 +1 20.62844454 +1 0.3256 H( 1193 GLN* 2) 1.71510173 +1 40.18982055 +1 20.23155569 +1 0.2086 H( 1194 GLN 2) 1.61589460 +1 37.29968068 +1 18.99488364 +1 0.1512 H( 1195 GLN 2) 0.60070563 +1 38.66209379 +1 18.45307889 +1 0.1598 H( 1196 GLN 2) 3.69130536 +1 38.89481836 +1 18.68371291 +1 0.2031 H( 1197 GLN 2) 2.57212195 +1 40.03234143 +1 17.88431931 +1 0.1922 H( 1198 GLN 2) 4.86347363 +1 38.92485089 +1 16.61437542 +1 0.3277 H( 1199 GLN 2) 4.34224009 +1 37.94412625 +1 15.30624454 +1 0.2810 H( 1200 GLU* 3) 1.18267863 +1 36.99082099 +1 22.03150073 +1 0.3302 H( 1201 GLU* 3) -1.78829339 +1 37.41746616 +1 21.74572568 +1 0.2267 H( 1202 GLU 3) -0.11594073 +1 35.89725925 +1 23.91035586 +1 0.1639 H( 1203 GLU 3) -1.84553947 +1 35.68771248 +1 23.56347091 +1 0.1834 H( 1204 GLU 3) -0.42883738 +1 33.88467752 +1 22.69440429 +1 0.2075 H( 1205 GLU 3) -1.50372254 +1 34.64483666 +1 21.51236620 +1 0.1986 H( 1206 GLU 3) 1.13893648 +1 34.39113394 +1 19.29166707 +1 0.3810 H( 1207 VAL* 4) 0.80279916 +1 38.33647200 +1 24.17897323 +1 0.3119 H( 1208 VAL* 4) -1.09876396 +1 39.52791586 +1 26.05742029 +1 0.2020 H( 1209 VAL 4) 1.96701252 +1 39.99526335 +1 25.59135359 +1 0.1397 H( 1210 VAL 4) 1.73458042 +1 41.11088759 +1 27.88512151 +1 0.1607 H( 1211 VAL 4) -0.01734643 +1 40.84749222 +1 27.85559646 +1 0.1763 H( 1212 VAL 4) 0.73363660 +1 41.96149465 +1 26.70727577 +1 0.1534 H( 1213 VAL 4) 2.00565143 +1 38.52088143 +1 27.74099426 +1 0.1390 H( 1214 VAL 4) 1.37743896 +1 37.64060278 +1 26.32905475 +1 0.1593 H( 1215 VAL 4) 0.27872300 +1 38.26624815 +1 27.57808387 +1 0.1731 H( 1216 MET* 5) 0.88743487 +1 40.85927877 +1 23.18704186 +1 0.3303 H( 1217 MET* 5) 0.01099546 +1 43.53882206 +1 23.85859842 +1 0.2012 H( 1218 MET 5) 0.73433475 +1 42.27794991 +1 21.08567699 +1 0.1784 H( 1219 MET 5) 0.37292630 +1 43.99797714 +1 21.34509095 +1 0.1627 H( 1220 MET 5) 2.87035721 +1 43.50399398 +1 21.40037670 +1 0.1857 H( 1221 MET 5) 2.64706124 +1 42.38944802 +1 22.78790160 +1 0.1811 H( 1222 MET 5) 2.29630012 +1 46.21720236 +1 21.67125068 +1 0.1932 H( 1223 MET 5) 0.69026589 +1 45.96144649 +1 22.37948512 +1 0.1675 H( 1224 MET 5) 1.87537983 +1 46.94858375 +1 23.23128597 +1 0.1796 H( 1225 LYS* 6) -1.62934213 +1 40.78527603 +1 22.05965987 +1 0.3342 H( 1226 LYS* 6) -3.80882130 +1 42.47377487 +1 21.03978340 +1 0.2245 H( 1227 LYS 6) -3.55049848 +1 39.53130349 +1 22.01877089 +1 0.1532 H( 1228 LYS 6) -3.56374151 +1 40.10901589 +1 20.35934944 +1 0.1871 H( 1229 LYS 6) -5.67116772 +1 38.96589192 +1 21.38215019 +1 0.1481 H( 1230 LYS 6) -6.02616192 +1 40.45807216 +1 22.22448741 +1 0.1471 H( 1231 LYS 6) -5.48161691 +1 40.46447172 +1 19.19234873 +1 0.1351 H( 1232 LYS 6) -7.07273853 +1 39.99645679 +1 19.84800461 +1 0.1294 H( 1233 LYS 6) -5.63870807 +1 42.69250925 +1 20.39683129 +1 0.1718 H( 1234 LYS 6) -7.23034500 +1 42.22263727 +1 21.04455386 +1 0.1337 H( 1235 LYS 6) -6.57197784 +1 42.95614139 +1 18.28020753 +1 0.2568 H( 1236 LYS 6) -7.76924014 +1 41.83676365 +1 18.49370788 +1 0.2079 H( 1237 ASN* 7) -3.35336544 +1 40.65586675 +1 24.23499489 +1 0.3287 H( 1238 ASN* 7) -5.98262628 +1 41.36147380 +1 25.22939206 +1 0.1941 H( 1239 ASN 7) -3.19210395 +1 41.16162471 +1 26.69673175 +1 0.2041 H( 1240 ASN 7) -4.73854743 +1 41.13857524 +1 27.53337780 +1 0.2404 H( 1241 ASN 7) -2.83552810 +1 38.96419874 +1 27.63321059 +1 0.2932 H( 1242 ASN 7) -3.56242400 +1 37.59028809 +1 26.89583349 +1 0.2798 H( 1243 LEU* 8) -2.62127959 +1 43.09116496 +1 25.43094324 +1 0.3421 H( 1244 LEU* 8) -3.81876335 +1 45.11933435 +1 27.22754818 +1 0.1913 H( 1245 LEU 8) -1.37113294 +1 45.00807524 +1 25.31796168 +1 0.1464 H( 1246 LEU 8) -1.80377172 +1 46.52857309 +1 26.07606239 +1 0.1520 H( 1247 LEU 8) -1.26532991 +1 45.72685254 +1 28.29626483 +1 0.1082 H( 1248 LEU 8) -0.48171615 +1 43.33483050 +1 28.64032162 +1 0.1481 H( 1249 LEU 8) -0.89647982 +1 42.95330022 +1 26.95694517 +1 0.1777 H( 1250 LEU 8) -2.15248459 +1 43.38160839 +1 28.12478950 +1 0.1550 H( 1251 LEU 8) 1.13677436 +1 45.11047732 +1 27.99117348 +1 0.1522 H( 1252 LEU 8) 0.86082307 +1 44.67337149 +1 26.29429382 +1 0.1690 H( 1253 LEU 8) 0.70649280 +1 46.35051809 +1 26.81014162 +1 0.1428 H( 1254 SER* 9) -3.49676189 +1 44.83258179 +1 23.55932958 +1 0.3331 H( 1255 SER* 9) -4.23103211 +1 47.62715897 +1 23.09858739 +1 0.1941 H( 1256 SER 9) -4.45842228 +1 45.01545980 +1 21.35885212 +1 0.1647 H( 1257 SER 9) -4.69643882 +1 46.69832578 +1 20.74263544 +1 0.1677 H( 1258 SER 9) -2.27985840 +1 45.54708411 +1 21.71697899 +1 0.3526 H( 1259 LEU* 10) -6.28849063 +1 44.53399109 +1 23.20078283 +1 0.3411 H( 1260 LEU* 10) -8.74118373 +1 45.92816572 +1 22.57102513 +1 0.1797 H( 1261 LEU 10) -8.05183072 +1 43.34717451 +1 24.08010202 +1 0.1690 H( 1262 LEU 10) -8.83982954 +1 43.56826136 +1 22.52616442 +1 0.1657 H( 1263 LEU 10) -10.10450053 +1 44.34409423 +1 25.24540057 +1 0.1187 H( 1264 LEU 10) -11.08601632 +1 45.64988167 +1 23.42036438 +1 0.1536 H( 1265 LEU 10) -11.26561721 +1 44.22550594 +1 22.38253772 +1 0.1841 H( 1266 LEU 10) -12.23150776 +1 44.36183910 +1 23.83584723 +1 0.1524 H( 1267 LEU 10) -9.73552913 +1 41.88166697 +1 25.05416784 +1 0.1578 H( 1268 LEU 10) -10.56239517 +1 41.85015270 +1 23.48709762 +1 0.1754 H( 1269 LEU 10) -11.45355340 +1 42.27273086 +1 24.94431644 +1 0.1561 H( 1270 ASN* 11) -7.07353486 +1 45.26678706 +1 25.83263644 +1 0.3396 H( 1271 ASN* 11) -9.39828282 +1 46.62645157 +1 27.06177462 +1 0.2173 H( 1272 ASN 11) -6.64275859 +1 45.68546549 +1 28.19943015 +1 0.2004 H( 1273 ASN 11) -7.88515562 +1 46.49069331 +1 29.16776095 +1 0.1947 H( 1274 ASN 11) -7.10982750 +1 43.53133392 +1 27.34875558 +1 0.3071 H( 1275 ASN 11) -8.42963669 +1 42.62316583 +1 27.95904907 +1 0.2836 H( 1276 PHE* 12) -6.14406609 +1 47.86685441 +1 25.94231538 +1 0.3442 H( 1277 PHE* 12) -6.29005533 +1 50.23381933 +1 27.63868164 +1 0.2020 H( 1278 PHE 12) -4.37494039 +1 49.37272794 +1 26.07048029 +1 0.1922 H( 1279 PHE 12) -5.32998179 +1 49.81749399 +1 24.67538801 +1 0.1717 H( 1280 PHE 12) -3.72995575 +1 51.31537308 +1 27.77869169 +1 0.1563 H( 1281 PHE 12) -5.26909461 +1 51.99255040 +1 23.81942083 +1 0.1503 H( 1282 PHE 12) -2.82643363 +1 53.61159247 +1 27.78793417 +1 0.1692 H( 1283 PHE 12) -4.30090444 +1 54.25925877 +1 23.82100814 +1 0.1288 H( 1284 PHE 12) -3.01315213 +1 55.07894299 +1 25.80515549 +1 0.1460 H( 1285 GLY* 13) -7.78715748 +1 49.23191101 +1 24.43000601 +1 0.3305 H( 1286 GLY* 13) -8.76525754 +1 52.07612108 +1 24.17468863 +1 0.2140 H( 1287 GLY* 13) -8.82946874 +1 50.80198853 +1 22.92955331 +1 0.1852 H( 1288 LYS* 14) -10.03800599 +1 49.69030848 +1 26.09637063 +1 0.3116 H( 1289 LYS* 14) -12.64994451 +1 49.39162904 +1 24.89810527 +1 0.1947 H( 1290 LYS 14) -11.19821795 +1 48.92028157 +1 27.55883609 +1 0.1583 H( 1291 LYS 14) -12.93673667 +1 49.15929444 +1 27.71445838 +1 0.1619 H( 1292 LYS 14) -11.50196244 +1 47.15972735 +1 25.84632013 +1 0.1528 H( 1293 LYS 14) -13.23222244 +1 47.51649857 +1 25.69941469 +1 0.1141 H( 1294 LYS 14) -11.89638979 +1 46.42028071 +1 28.25271845 +1 0.1585 H( 1295 LYS 14) -13.61427013 +1 46.74604643 +1 28.07676452 +1 0.1562 H( 1296 LYS 14) -12.03923771 +1 44.79998191 +1 26.26204138 +1 0.1098 H( 1297 LYS 14) -13.80071583 +1 45.06812211 +1 26.21070722 +1 0.1088 H( 1298 LYS 14) -12.71105292 +1 44.28108016 +1 28.81311584 +1 0.2165 H( 1299 LYS 14) -12.81835189 +1 43.14938871 +1 27.66006099 +1 0.2051 H( 1300 ALA* 15) -11.41625154 +1 52.19733815 +1 27.00751770 +1 0.3453 H( 1301 ALA* 15) -14.24981957 +1 53.15174792 +1 26.88813385 +1 0.1761 H( 1302 ALA 15) -11.57984317 +1 54.15998134 +1 28.11591677 +1 0.1787 H( 1303 ALA 15) -13.10880307 +1 53.77548700 +1 28.92846740 +1 0.1811 H( 1304 ALA 15) -12.96133443 +1 55.26090073 +1 27.98871577 +1 0.2265 H( 1305 LEU* 16) -12.50472433 +1 53.03623676 +1 24.14648074 +1 0.3290 H( 1306 LEU* 16) -11.83962165 +1 55.73474153 +1 23.49990890 +1 0.1718 H( 1307 LEU 16) -11.42380906 +1 53.53493181 +1 22.17069006 +1 0.1755 H( 1308 LEU 16) -13.12347360 +1 53.51840555 +1 21.71258771 +1 0.1778 H( 1309 LEU 16) -12.85024593 +1 55.63179971 +1 20.41506645 +1 0.1143 H( 1310 LEU 16) -9.86815637 +1 55.41038923 +1 21.20023326 +1 0.1541 H( 1311 LEU 16) -10.98254623 +1 56.72626328 +1 21.61602383 +1 0.1451 H( 1312 LEU 16) -10.51713714 +1 56.45385678 +1 19.92935103 +1 0.1559 H( 1313 LEU 16) -10.75287610 +1 53.42941959 +1 19.75994418 +1 0.1710 H( 1314 LEU 16) -12.48403952 +1 53.33293470 +1 19.38123060 +1 0.1595 H( 1315 LEU 16) -11.49329770 +1 54.55325323 +1 18.60901357 +1 0.1542 H( 1316 ASP* 17) -14.94834852 +1 53.97732498 +1 23.22196483 +1 0.3322 H( 1317 ASP* 17) -16.35328721 +1 56.06322774 +1 21.75984276 +1 0.2021 H( 1318 ASP 17) -17.81883070 +1 54.25359662 +1 23.78396383 +1 0.1969 H( 1319 ASP 17) -18.30574831 +1 54.79447264 +1 22.18633585 +1 0.2163 H( 1320 ASP 17) -17.68843436 +1 51.30227405 +1 21.76598948 +1 0.3831 H( 1321 GLU* 18) -15.95813729 +1 55.25872632 +1 25.31340725 +1 0.2860 H( 1322 GLU* 18) -17.49789729 +1 57.62830442 +1 26.18486192 +1 0.1914 H( 1323 GLU 18) -15.42476264 +1 55.69224231 +1 27.32083362 +1 0.1694 H( 1324 GLU 18) -17.14139355 +1 55.88363006 +1 27.74290384 +1 0.1637 H( 1325 GLU 18) -14.98211536 +1 57.92381177 +1 28.57436335 +1 0.2223 H( 1326 GLU 18) -16.60887180 +1 57.77186850 +1 29.21722058 +1 0.1835 H( 1327 GLU 18) -15.54293994 +1 55.16975292 +1 31.36629361 +1 0.3580 H( 1328 CYS* 19) -13.88754236 +1 57.03602920 +1 25.32531998 +1 0.3412 H( 1329 CYS* 19) -13.34018672 +1 59.78536038 +1 26.08603299 +1 0.2069 H( 1330 CYS 19) -11.44445108 +1 59.61818685 +1 24.27319261 +1 0.1756 H( 1331 CYS 19) -11.86406852 +1 57.91208920 +1 24.07953066 +1 0.1863 H( 1332 LYS* 20) -14.35367258 +1 58.35543796 +1 22.78532545 +1 0.3290 H( 1333 LYS* 20) -14.16563911 +1 60.89610753 +1 21.45491128 +1 0.1430 H( 1334 LYS 20) -14.50534556 +1 58.75321353 +1 20.25924941 +1 0.1486 H( 1335 LYS 20) -16.00425921 +1 58.42687783 +1 21.13649404 +1 0.1636 H( 1336 LYS 20) -15.63304014 +1 60.64069052 +1 19.02586270 +1 0.1341 H( 1337 LYS 20) -17.07666660 +1 60.43424772 +1 19.99101141 +1 0.1576 H( 1338 LYS 20) -16.03881527 +1 58.86940931 +1 17.70830901 +1 0.1395 H( 1339 LYS 20) -16.55637624 +1 57.77294645 +1 18.99692286 +1 0.1587 H( 1340 LYS 20) -18.23084856 +1 59.93638486 +1 17.55576870 +1 0.1157 H( 1341 LYS 20) -18.79702145 +1 59.16645922 +1 19.06140514 +1 0.1515 H( 1342 LYS 20) -18.73973548 +1 58.05148784 +1 16.44797670 +1 0.1928 H( 1343 LYS 20) -18.05790759 +1 57.04792922 +1 17.52095608 +1 0.1980 H( 1344 LYS* 21) -16.86331092 +1 59.46371789 +1 23.56715349 +1 0.3089 H( 1345 LYS* 21) -18.66231144 +1 61.62705657 +1 22.59530097 +1 0.1937 H( 1346 LYS 21) -18.79383494 +1 59.71431661 +1 25.05352502 +1 0.1469 H( 1347 LYS 21) -20.06135658 +1 60.85026240 +1 24.57893531 +1 0.1606 H( 1348 LYS 21) -18.95931087 +1 58.57379082 +1 22.78752258 +1 0.1629 H( 1349 LYS 21) -20.22945298 +1 59.71120967 +1 22.31400901 +1 0.1378 H( 1350 LYS 21) -20.40586581 +1 57.78839156 +1 24.73383923 +1 0.1305 H( 1351 LYS 21) -21.67268588 +1 58.90445491 +1 24.25273993 +1 0.1421 H( 1352 LYS 21) -20.52827280 +1 56.72810261 +1 22.38359552 +1 0.1066 H( 1353 LYS 21) -21.88320388 +1 57.82726292 +1 22.01327273 +1 0.1514 H( 1354 LYS 21) -22.01072477 +1 55.90153895 +1 24.26902930 +1 0.2055 H( 1355 LYS 21) -22.70212562 +1 55.69485643 +1 22.80108589 +1 0.2063 H( 1356 GLU* 22) -16.22867800 +1 61.28606825 +1 25.41944285 +1 0.3156 H( 1357 GLU* 22) -17.42826216 +1 63.65345081 +1 26.69071017 +1 0.1852 H( 1358 GLU 22) -14.53673857 +1 62.48612614 +1 26.92246040 +1 0.1602 H( 1359 GLU 22) -15.20945502 +1 63.79871413 +1 27.91484990 +1 0.1585 H( 1360 GLU 22) -16.55826792 +1 60.99908964 +1 27.72620103 +1 0.2122 H( 1361 GLU 22) -16.91001967 +1 62.26915523 +1 28.91800713 +1 0.1813 H( 1362 GLU 22) -13.19853957 +1 61.31758157 +1 29.74931711 +1 0.3599 H( 1363 MET* 23) -14.78348912 +1 63.15283930 +1 24.18752499 +1 0.3259 H( 1364 MET* 23) -14.16882866 +1 66.07900672 +1 24.77263428 +1 0.2001 H( 1365 MET 23) -12.43829799 +1 63.91838981 +1 24.17077558 +1 0.1988 H( 1366 MET 23) -12.57302150 +1 64.64038689 +1 22.60958110 +1 0.1605 H( 1367 MET 23) -11.46531196 +1 66.81000854 +1 23.44600913 +1 0.1960 H( 1368 MET 23) -11.68781726 +1 66.24471361 +1 25.07851451 +1 0.1616 H( 1369 MET 23) -9.39097192 +1 63.00474037 +1 24.93549690 +1 0.1636 H( 1370 MET 23) -11.03753084 +1 62.95524736 +1 24.26912360 +1 0.1835 H( 1371 MET 23) -10.71013090 +1 63.79558061 +1 25.80742797 +1 0.1855 H( 1372 THR* 24) -13.65170736 +1 66.80419458 +1 22.52090629 +1 0.3138 H( 1373 THR* 24) -14.39425844 +1 67.62763163 +1 20.42153693 +1 0.1873 H( 1374 THR 24) -11.88751354 +1 65.84143051 +1 21.27742539 +1 0.1683 H( 1375 THR 24) -12.40820899 +1 68.56759682 +1 21.98413299 +1 0.3248 H( 1376 THR 24) -10.44958883 +1 67.45885552 +1 20.10595571 +1 0.1750 H( 1377 THR 24) -11.68611186 +1 67.05696014 +1 18.87474329 +1 0.1815 H( 1378 THR 24) -11.79176577 +1 68.54493958 +1 19.74825163 +1 0.1811 H( 1379 LEU* 25) -14.54180452 +1 63.97649971 +1 19.96976745 +1 0.3318 H( 1380 LEU* 25) -12.59936018 +1 64.62420041 +1 17.85902812 +1 0.1225 H( 1381 LEU 25) -11.87413924 +1 62.16186849 +1 17.99587014 +1 0.1515 H( 1382 LEU 25) -13.15307283 +1 61.84303078 +1 19.15109761 +1 0.1886 H( 1383 LEU 25) -12.14741390 +1 63.02140509 +1 20.92812732 +1 0.1507 H( 1384 LEU 25) -9.83867117 +1 61.98449256 +1 21.03733227 +1 0.1587 H( 1385 LEU 25) -9.84492842 +1 61.70853780 +1 19.28653167 +1 0.1494 H( 1386 LEU 25) -10.99638341 +1 60.86035352 +1 20.33277957 +1 0.1681 H( 1387 LEU 25) -9.68227250 +1 64.06151007 +1 19.52430082 +1 0.1423 H( 1388 LEU 25) -11.17628850 +1 64.99789740 +1 19.23282498 +1 0.1246 H( 1389 LEU 25) -10.59138477 +1 64.71657618 +1 20.86989302 +1 0.1995 H( 1390 THR* 26) -12.40808846 +1 63.86125440 +1 15.81887374 +1 0.3016 H( 1391 THR* 26) -15.13745445 +1 63.22859109 +1 14.84623600 +1 0.2244 H( 1392 THR 26) -14.48810664 +1 63.78253387 +1 12.71029247 +1 0.1510 H( 1393 THR 26) -11.76145769 +1 63.11526056 +1 12.86884908 +1 0.3319 H( 1394 THR 26) -11.96615790 +1 64.98712125 +1 14.12016104 +1 0.1927 H( 1395 THR 26) -13.57566089 +1 65.67001811 +1 14.38552507 +1 0.2063 H( 1396 THR 26) -12.87516154 +1 65.63843281 +1 12.77100695 +1 0.1947 H( 1397 ASP* 27) -15.69226302 +1 61.42079174 +1 13.46612122 +1 0.2982 H( 1398 ASP* 27) -14.65674679 +1 58.92370036 +1 14.53724324 +1 0.2152 H( 1399 ASP 27) -16.01055112 +1 58.07305321 +1 12.47311117 +1 0.2311 H( 1400 ASP 27) -16.30161117 +1 59.74212210 +1 11.99492733 +1 0.2081 H( 1401 ASP 27) -18.63257664 +1 59.23431869 +1 12.28167761 +1 0.3787 H( 1402 ALA* 28) -13.16473468 +1 61.04252769 +1 12.15150472 +1 0.3187 H( 1403 ALA* 28) -11.77839544 +1 59.31104472 +1 10.42128859 +1 0.1813 H( 1404 ALA 28) -9.96020962 +1 61.03118101 +1 10.60045069 +1 0.2289 H( 1405 ALA 28) -11.52447390 +1 61.78015089 +1 10.27166284 +1 0.1884 H( 1406 ALA 28) -10.82775902 +1 61.88005855 +1 11.88963016 +1 0.1438 H( 1407 ILE* 29) -11.35461959 +1 59.75170219 +1 14.07172511 +1 0.3253 H( 1408 ILE* 29) -8.73409073 +1 58.47471276 +1 13.84276636 +1 0.1702 H( 1409 ILE 29) -8.79763236 +1 58.26085049 +1 16.24262781 +1 0.1289 H( 1410 ILE 29) -11.04754010 +1 57.30826217 +1 16.58073684 +1 0.1675 H( 1411 ILE 29) -11.83882384 +1 58.81565924 +1 16.09438818 +1 0.1696 H( 1412 ILE 29) -8.57197882 +1 60.57210454 +1 15.10080143 +1 0.1342 H( 1413 ILE 29) -9.12046408 +1 60.62429073 +1 16.80556438 +1 0.1760 H( 1414 ILE 29) -10.27030889 +1 60.88321204 +1 15.49981460 +1 0.1617 H( 1415 ILE 29) -10.04633343 +1 58.57664552 +1 18.58690357 +1 0.1316 H( 1416 ILE 29) -11.80144373 +1 58.43941793 +1 18.56238507 +1 0.1722 H( 1417 ILE 29) -11.04211028 +1 59.96600810 +1 18.11983083 +1 0.1396 H( 1418 ASN* 30) -12.11972202 +1 57.05659659 +1 13.72916541 +1 0.3397 H( 1419 ASN* 30) -11.50755346 +1 54.57014827 +1 14.96047710 +1 0.2133 H( 1420 ASN 30) -13.11751682 +1 55.12755007 +1 12.32713661 +1 0.2097 H( 1421 ASN 30) -13.16840757 +1 53.62063604 +1 13.28340967 +1 0.2085 H( 1422 ASN 30) -15.62104744 +1 54.58629755 +1 12.98607335 +1 0.2790 H( 1423 ASN 30) -16.17293601 +1 55.43259449 +1 14.35727465 +1 0.3148 H( 1424 GLU* 31) -10.79301045 +1 55.71073898 +1 11.50161448 +1 0.3553 H( 1425 GLU* 31) -9.86291085 +1 53.16096340 +1 10.58908126 +1 0.1731 H( 1426 GLU 31) -8.41746310 +1 55.88874465 +1 10.09163637 +1 0.1770 H( 1427 GLU 31) -9.93256560 +1 55.47601794 +1 9.32290460 +1 0.1695 H( 1428 GLU 31) -7.36544480 +1 53.76427083 +1 9.07927035 +1 0.2212 H( 1429 GLU 31) -8.88808226 +1 53.51215671 +1 8.16895780 +1 0.1773 H( 1430 GLU 31) -6.78322189 +1 55.16054143 +1 5.81558160 +1 0.3809 H( 1431 ASP* 32) -8.07403846 +1 55.49372578 +1 12.80399776 +1 0.3074 H( 1432 ASP* 32) -5.47837126 +1 54.06112723 +1 12.47365317 +1 0.2477 H( 1433 ASP 32) -5.03360666 +1 55.48001437 +1 14.67055406 +1 0.2279 H( 1434 ASP 32) -6.65710695 +1 56.17583789 +1 14.49455454 +1 0.2016 H( 1435 ASP 32) -5.79501016 +1 58.14616201 +1 14.17188601 +1 0.4059 H( 1436 PHE* 33) -8.30439737 +1 54.01380029 +1 14.89747626 +1 0.3128 H( 1437 PHE* 33) -6.83785716 +1 52.15898184 +1 16.66907438 +1 0.1920 H( 1438 PHE 33) -9.34368057 +1 51.93961668 +1 17.53265455 +1 0.2141 H( 1439 PHE 33) -9.80307189 +1 53.15288191 +1 16.35682850 +1 0.1905 H( 1440 PHE 33) -8.60396034 +1 55.59373387 +1 16.61929466 +1 0.1562 H( 1441 PHE 33) -7.86280561 +1 52.29165025 +1 19.24614040 +1 0.1763 H( 1442 PHE 33) -7.45998973 +1 57.14301988 +1 18.20706193 +1 0.1183 H( 1443 PHE 33) -6.81372185 +1 53.80011859 +1 20.91863042 +1 0.1423 H( 1444 PHE 33) -6.59924470 +1 56.24592098 +1 20.39281745 +1 0.1379 H( 1445 TYR* 34) -9.35995545 +1 51.69046702 +1 13.95099142 +1 0.3318 H( 1446 TYR* 34) -9.51425403 +1 48.85907644 +1 14.52485458 +1 0.1938 H( 1447 TYR 34) -9.91070309 +1 50.70587141 +1 12.01385442 +1 0.1701 H( 1448 TYR 34) -10.14875924 +1 48.94492008 +1 11.88777485 +1 0.1932 H( 1449 TYR 34) -11.36461792 +1 48.68387083 +1 14.84202454 +1 0.1500 H( 1450 TYR 34) -12.24060922 +1 51.17541265 +1 11.48041301 +1 0.1444 H( 1451 TYR 34) -13.64584021 +1 48.88452706 +1 15.63312410 +1 0.1713 H( 1452 TYR 34) -14.50729137 +1 51.50440451 +1 12.36533540 +1 0.1784 H( 1453 TYR 34) -15.68168531 +1 49.97827960 +1 15.37313625 +1 0.3470 H( 1454 ASN* 35) -7.09081141 +1 50.79709190 +1 12.53942476 +1 0.3190 H( 1455 ASN* 35) -6.04094935 +1 48.15471974 +1 11.49138471 +1 0.2106 H( 1456 ASN 35) -4.85303301 +1 49.74868266 +1 9.85561422 +1 0.2265 H( 1457 ASN 35) -5.62435740 +1 51.15734994 +1 10.60025727 +1 0.1972 H( 1458 ASN 35) -7.87864648 +1 51.62352023 +1 9.86017518 +1 0.2961 H( 1459 ASN 35) -8.75815102 +1 50.55967939 +1 8.81386859 +1 0.2789 H( 1460 PHE* 36) -5.45435690 +1 49.85621520 +1 14.26380253 +1 0.2988 H( 1461 PHE* 36) -3.08010178 +1 51.18573921 +1 14.11309497 +1 0.1883 H( 1462 PHE 36) -3.98686300 +1 49.24244804 +1 16.37006653 +1 0.1794 H( 1463 PHE 36) -4.75926940 +1 50.79462835 +1 16.01290494 +1 0.1665 H( 1464 PHE 36) -3.81888185 +1 52.82410130 +1 16.74703736 +1 0.1437 H( 1465 PHE 36) -1.44724934 +1 49.23502792 +1 16.92498666 +1 0.1733 H( 1466 PHE 36) -2.13897212 +1 54.01533509 +1 18.15058280 +1 0.1314 H( 1467 PHE 36) 0.28750368 +1 50.45329461 +1 18.20707688 +1 0.1583 H( 1468 PHE 36) -0.05190347 +1 52.83559657 +1 18.81412440 +1 0.1403 H( 1469 TRP* 37) -3.23531133 +1 47.48191715 +1 14.53294724 +1 0.3290 H( 1470 TRP* 37) -0.26093812 +1 47.74996548 +1 14.60908513 +1 0.1884 H( 1471 TRP 37) -0.41687556 +1 45.19897176 +1 15.02966578 +1 0.1748 H( 1472 TRP 37) -2.17550255 +1 45.34653372 +1 15.10139089 +1 0.1643 H( 1473 TRP 37) -3.06546538 +1 45.89127214 +1 17.59353364 +1 0.1821 H( 1474 TRP 37) -2.11867523 +1 46.87477543 +1 19.72514137 +1 0.3116 H( 1475 TRP 37) 1.58343789 +1 47.20139372 +1 15.79752666 +1 0.1541 H( 1476 TRP 37) 0.24971357 +1 48.03436839 +1 20.55796030 +1 0.1542 H( 1477 TRP 37) 3.17745969 +1 48.27019354 +1 17.39551123 +1 0.1550 H( 1478 TRP 37) 2.50359103 +1 48.68054256 +1 19.72790567 +1 0.1288 H( 1479 LYS* 38) -2.17009793 +1 47.67868650 +1 11.82237365 +1 0.3184 H( 1480 LYS* 38) -1.11070728 +1 45.30630789 +1 10.46509186 +1 0.2089 H( 1481 LYS 38) -1.53188473 +1 47.09752728 +1 8.46418159 +1 0.1490 H( 1482 LYS 38) -2.27984176 +1 48.09878052 +1 9.71206314 +1 0.1698 H( 1483 LYS 38) -3.16433117 +1 45.19763013 +1 9.16497055 +1 0.1538 H( 1484 LYS 38) -4.00711601 +1 46.42239802 +1 10.13974440 +1 0.1477 H( 1485 LYS 38) -3.45206128 +1 46.49158900 +1 7.07704171 +1 0.1601 H( 1486 LYS 38) -4.10381680 +1 47.89885665 +1 7.94805276 +1 0.1389 H( 1487 LYS 38) -5.36350972 +1 45.07023245 +1 7.91744999 +1 0.1174 H( 1488 LYS 38) -5.98990308 +1 46.47051953 +1 8.85098176 +1 0.1249 H( 1489 LYS 38) -6.06670551 +1 46.10947689 +1 5.94055959 +1 0.2075 H( 1490 LYS 38) -7.17310812 +1 46.77451621 +1 6.94556584 +1 0.2099 H( 1491 GLU* 39) 0.68744663 +1 45.04492002 +1 9.29347870 +1 0.3509 H( 1492 GLU* 39) 3.00422049 +1 46.52736652 +1 10.18671408 +1 0.1999 H( 1493 GLU 39) 4.13689363 +1 45.35779546 +1 8.14582642 +1 0.1681 H( 1494 GLU 39) 2.55731960 +1 44.66921670 +1 7.68810801 +1 0.1622 H( 1495 GLU 39) 3.86633279 +1 44.33167598 +1 10.49671655 +1 0.2115 H( 1496 GLU 39) 2.33245346 +1 43.63326360 +1 10.02701266 +1 0.2301 H( 1497 GLU 39) 5.21307324 +1 41.26445277 +1 9.48672071 +1 0.3593 H( 1498 GLY* 40) 0.96072958 +1 47.01525511 +1 7.10938012 +1 0.3010 H( 1499 GLY* 40) 3.17131840 +1 48.89301137 +1 6.25583965 +1 0.2093 H( 1500 GLY* 40) 1.61243751 +1 48.63828218 +1 5.40523352 +1 0.1806 H( 1501 TYR* 41) 0.66282880 +1 49.29398863 +1 8.73017672 +1 0.3250 H( 1502 TYR* 41) -0.65493160 +1 51.56940433 +1 7.35557499 +1 0.1578 H( 1503 TYR 41) -1.13132066 +1 50.13196802 +1 10.09318757 +1 0.1989 H( 1504 TYR 41) -1.88770875 +1 49.65204218 +1 8.55285754 +1 0.1754 H( 1505 TYR 41) -3.32370346 +1 51.42026333 +1 7.26715841 +1 0.1598 H( 1506 TYR 41) -1.87142846 +1 52.02019677 +1 11.26837311 +1 0.1572 H( 1507 TYR 41) -4.88004542 +1 53.28926783 +1 7.58579856 +1 0.1762 H( 1508 TYR 41) -3.43567479 +1 53.97241057 +1 11.55995509 +1 0.1612 H( 1509 TYR 41) -4.99028918 +1 55.44778641 +1 8.99866699 +1 0.3551 H( 1510 GLU* 42) -0.27919862 +1 53.86067470 +1 8.09478430 +1 0.3208 H( 1511 GLU* 42) 1.39049182 +1 54.04440135 +1 10.61111602 +1 0.2201 H( 1512 GLU 42) 1.95192169 +1 56.36980847 +1 9.83303637 +1 0.1650 H( 1513 GLU 42) 1.15075435 +1 56.06566666 +1 8.27234781 +1 0.1667 H( 1514 GLU 42) 3.64673472 +1 54.57186000 +1 9.38071640 +1 0.1714 H( 1515 GLU 42) 2.79741220 +1 54.06607233 +1 7.90470683 +1 0.2163 H( 1516 GLU 42) 4.72485986 +1 57.65951688 +1 7.87308304 +1 0.3639 H( 1517 ILE* 43) 0.42471476 +1 55.04342655 +1 12.30423515 +1 0.3333 H( 1518 ILE* 43) -2.42743935 +1 55.67328035 +1 12.07889882 +1 0.1785 H( 1519 ILE 43) -2.17019318 +1 56.61151262 +1 14.40215314 +1 0.1013 H( 1520 ILE 43) 0.66400487 +1 55.32786921 +1 14.36831966 +1 0.1729 H( 1521 ILE 43) 0.38542452 +1 57.06895015 +1 14.20166145 +1 0.1411 H( 1522 ILE 43) -1.25848193 +1 53.67266423 +1 14.01911474 +1 0.1761 H( 1523 ILE 43) -2.91827901 +1 54.22818129 +1 14.02284489 +1 0.1407 H( 1524 ILE 43) -1.94149783 +1 54.33914029 +1 15.49974315 +1 0.1858 H( 1525 ILE 43) 0.68055132 +1 56.70889944 +1 16.59055007 +1 0.1445 H( 1526 ILE 43) -0.35280877 +1 55.27274785 +1 16.61067926 +1 0.1549 H( 1527 ILE 43) -1.07313436 +1 56.88861906 +1 16.42659042 +1 0.1356 H( 1528 LYS* 44) -3.28602228 +1 57.76834449 +1 11.78473990 +1 0.3023 H( 1529 LYS* 44) -1.12642236 +1 59.82729864 +1 11.19443298 +1 0.2257 H( 1530 LYS 44) -1.65331469 +1 58.72373597 +1 9.20204540 +1 0.1846 H( 1531 LYS 44) -2.61862319 +1 60.19359785 +1 9.12411346 +1 0.1625 H( 1532 LYS 44) -3.65966457 +1 57.36748024 +1 9.86320174 +1 0.1682 H( 1533 LYS 44) -4.64390262 +1 58.84405572 +1 9.82551681 +1 0.1117 H( 1534 LYS 44) -3.99379944 +1 59.16339917 +1 7.36845675 +1 0.1395 H( 1535 LYS 44) -5.05519413 +1 57.79569638 +1 7.75184274 +1 0.1305 H( 1536 LYS 44) -1.99963289 +1 57.67621084 +1 7.32186942 +1 0.1184 H( 1537 LYS 44) -3.24411046 +1 57.15017848 +1 6.15940567 +1 0.1361 H( 1538 LYS 44) -2.92642576 +1 55.91590008 +1 8.84475249 +1 0.2454 H( 1539 LYS 44) -2.33621616 +1 55.29187691 +1 7.45419763 +1 0.2444 H( 1540 ASN* 45) -4.15498781 +1 59.60542721 +1 12.94287573 +1 0.3060 H( 1541 ASN* 45) -4.96257295 +1 62.31606564 +1 11.95769562 +1 0.2129 H( 1542 ASN 45) -6.55334635 +1 60.25934604 +1 13.66861663 +1 0.1732 H( 1543 ASN 45) -7.13419851 +1 61.81822711 +1 13.05533155 +1 0.1902 H( 1544 ASN 45) -5.48228339 +1 58.80587361 +1 11.61956151 +1 0.2984 H( 1545 ASN 45) -6.58070149 +1 58.73118483 +1 10.32288350 +1 0.2865 H( 1546 ARG* 46) -5.16422590 +1 64.04315770 +1 13.39658697 +1 0.2933 H( 1547 ARG* 46) -3.32393328 +1 63.87248813 +1 15.60099581 +1 0.1988 H( 1548 ARG 46) -3.60476557 +1 65.93107775 +1 14.32533695 +1 0.1528 H( 1549 ARG 46) -5.33921509 +1 66.03259515 +1 14.63609848 +1 0.1427 H( 1550 ARG 46) -3.10130207 +1 66.34835173 +1 16.72943798 +1 0.1584 H( 1551 ARG 46) -4.81728066 +1 66.28659545 +1 17.13815593 +1 0.1659 H( 1552 ARG 46) -3.40515478 +1 68.48791382 +1 15.46386360 +1 0.1431 H( 1553 ARG 46) -5.17882028 +1 68.34327692 +1 15.53915537 +1 0.1437 H( 1554 ARG 46) -3.23452688 +1 68.72641801 +1 17.76231580 +1 0.2762 H( 1555 ARG 46) -6.84109446 +1 68.55809851 +1 17.21222381 +1 0.2455 H( 1556 ARG 46) -7.06080392 +1 68.47048852 +1 18.87686238 +1 0.2799 H( 1557 ARG 46) -3.89242602 +1 69.39291431 +1 19.78504462 +1 0.2499 H( 1558 GLU* 47) -6.98292846 +1 63.86944421 +1 15.53046757 +1 0.3144 H( 1559 GLU* 47) -7.12735392 +1 63.95462720 +1 18.42027887 +1 0.2061 H( 1560 GLU 47) -9.02585294 +1 62.96998054 +1 16.12560319 +1 0.1465 H( 1561 GLU 47) -9.51353466 +1 63.00745289 +1 17.82998993 +1 0.1866 H( 1562 GLU 47) -8.13232711 +1 65.50753857 +1 16.51087808 +1 0.1906 H( 1563 GLU 47) -9.02277897 +1 65.46483501 +1 18.01228288 +1 0.1920 H( 1564 GLU 47) -11.22957127 +1 64.92965452 +1 17.91729746 +1 0.4164 H( 1565 THR* 48) -5.77623831 +1 61.42738760 +1 16.46674840 +1 0.3161 H( 1566 THR* 48) -6.88056195 +1 59.20808943 +1 18.18412290 +1 0.2102 H( 1567 THR 48) -4.64398762 +1 59.47432286 +1 15.98961465 +1 0.1523 H( 1568 THR 48) -7.28971336 +1 58.97948246 +1 16.00290027 +1 0.3452 H( 1569 THR 48) -3.84571113 +1 57.83449768 +1 17.89579637 +1 0.2054 H( 1570 THR 48) -4.20469420 +1 57.03405430 +1 16.35586761 +1 0.1660 H( 1571 THR 48) -5.35665770 +1 56.93616123 +1 17.67668698 +1 0.1934 H( 1572 GLY* 49) -4.07846378 +1 61.46320690 +1 17.79318824 +1 0.3157 H( 1573 GLY* 49) -2.43196998 +1 60.65995808 +1 20.01713798 +1 0.2249 H( 1574 GLY* 49) -2.57419048 +1 62.29199823 +1 19.28483815 +1 0.2279 H( 1575 CYS* 50) -5.32623091 +1 62.98972251 +1 19.80422436 +1 0.2933 H( 1576 CYS* 50) -5.30917056 +1 63.41291042 +1 22.64183104 +1 0.2126 H( 1577 CYS 50) -7.61473298 +1 64.21896366 +1 22.41385656 +1 0.2361 H( 1578 CYS 50) -7.84535811 +1 63.48628330 +1 20.81015880 +1 0.1927 H( 1579 ALA* 51) -7.07533666 +1 60.85838872 +1 20.62772546 +1 0.3035 H( 1580 ALA* 51) -8.66856187 +1 59.89351359 +1 22.84090486 +1 0.1866 H( 1581 ALA 51) -7.44922534 +1 58.42307948 +1 20.36204844 +1 0.1562 H( 1582 ALA 51) -8.77380303 +1 57.84327198 +1 21.38014058 +1 0.2024 H( 1583 ALA 51) -9.00135495 +1 59.28662324 +1 20.38112686 +1 0.1736 H( 1584 ILE* 52) -5.24695117 +1 59.21632817 +1 21.65255245 +1 0.3516 H( 1585 ILE* 52) -5.17941373 +1 56.95702011 +1 23.57952437 +1 0.2008 H( 1586 ILE 52) -2.98119250 +1 58.60004507 +1 22.15334040 +1 0.1474 H( 1587 ILE 52) -3.90763597 +1 55.67281679 +1 21.75764116 +1 0.1400 H( 1588 ILE 52) -4.47572816 +1 57.03702214 +1 20.78514461 +1 0.1371 H( 1589 ILE 52) -1.34965705 +1 56.82832400 +1 22.83708263 +1 0.1738 H( 1590 ILE 52) -2.55509084 +1 56.03755285 +1 23.85281315 +1 0.1560 H( 1591 ILE 52) -1.97504525 +1 57.64678525 +1 24.27226192 +1 0.1655 H( 1592 ILE 52) -1.59573458 +1 55.96721626 +1 20.89558825 +1 0.1410 H( 1593 ILE 52) -2.72165382 +1 55.91961232 +1 19.53993604 +1 0.1425 H( 1594 ILE 52) -2.03888508 +1 57.47353070 +1 20.07927406 +1 0.1555 H( 1595 MET* 53) -4.22459584 +1 60.43251379 +1 23.89239079 +1 0.3153 H( 1596 MET* 53) -3.25373320 +1 60.18030080 +1 26.63657503 +1 0.2079 H( 1597 MET 53) -2.79153050 +1 61.91384773 +1 24.90363341 +1 0.1895 H( 1598 MET 53) -4.47763447 +1 62.48508888 +1 24.96939219 +1 0.1443 H( 1599 MET 53) -2.48197030 +1 62.57254602 +1 27.33440557 +1 0.1800 H( 1600 MET 53) -4.12282476 +1 63.22599521 +1 27.36625089 +1 0.1775 H( 1601 MET 53) -3.92180104 +1 66.25587556 +1 24.97281304 +1 0.1829 H( 1602 MET 53) -4.44046219 +1 64.63153020 +1 24.48631947 +1 0.1630 H( 1603 MET 53) -4.91553039 +1 65.28636480 +1 26.06688436 +1 0.1854 H( 1604 CYS* 54) -6.74826772 +1 60.78800741 +1 25.47073229 +1 0.3180 H( 1605 CYS* 54) -7.68930684 +1 60.95001891 +1 28.19844791 +1 0.1948 H( 1606 CYS 54) -8.92254334 +1 60.27443971 +1 25.42891701 +1 0.1762 H( 1607 CYS 54) -9.09472329 +1 61.75406178 +1 26.40327852 +1 0.1818 H( 1608 LEU* 55) -7.23227089 +1 58.03250459 +1 25.96124602 +1 0.3217 H( 1609 LEU* 55) -8.35360977 +1 56.15421057 +1 27.86945388 +1 0.1968 H( 1610 LEU 55) -6.00508668 +1 55.93704291 +1 25.77173890 +1 0.1270 H( 1611 LEU 55) -6.74266284 +1 54.55351926 +1 26.57437533 +1 0.1883 H( 1612 LEU 55) -8.35617522 +1 56.60422448 +1 24.87306426 +1 0.1357 H( 1613 LEU 55) -6.83449200 +1 55.37825296 +1 23.35227610 +1 0.1311 H( 1614 LEU 55) -7.29435942 +1 53.82686468 +1 24.05786888 +1 0.1490 H( 1615 LEU 55) -8.48125243 +1 54.76408022 +1 23.14186615 +1 0.1487 H( 1616 LEU 55) -9.04695758 +1 53.83243890 +1 26.08245784 +1 0.1817 H( 1617 LEU 55) -10.12551361 +1 54.77553038 +1 25.03131223 +1 0.1535 H( 1618 LEU 55) -9.68072970 +1 55.39307386 +1 26.61901126 +1 0.1596 H( 1619 SER* 56) -5.01053279 +1 57.61148031 +1 27.39707881 +1 0.3416 H( 1620 SER* 56) -3.93270685 +1 55.67981131 +1 29.39821359 +1 0.2040 H( 1621 SER 56) -1.95928094 +1 57.23087272 +1 29.52859702 +1 0.1632 H( 1622 SER 56) -2.86818049 +1 58.50974368 +1 28.60977615 +1 0.1547 H( 1623 SER 56) -2.90785911 +1 56.93687331 +1 26.85045531 +1 0.3311 H( 1624 THR* 57) -5.31952930 +1 59.04796743 +1 29.47619737 +1 0.3261 H( 1625 THR* 57) -4.47806597 +1 59.50680181 +1 32.28398782 +1 0.2216 H( 1626 THR 57) -6.64419545 +1 60.69571490 +1 30.40434410 +1 0.1055 H( 1627 THR 57) -4.56833304 +1 61.08641019 +1 29.64682390 +1 0.3400 H( 1628 THR 57) -5.77226147 +1 61.69498634 +1 33.18495682 +1 0.1848 H( 1629 THR 57) -7.37353155 +1 61.14505781 +1 32.65892314 +1 0.1870 H( 1630 THR 57) -6.66930784 +1 62.63812066 +1 32.00868535 +1 0.1649 H( 1631 LYS* 58) -7.55848566 +1 58.12923154 +1 30.67847368 +1 0.3301 H( 1632 LYS* 58) -8.93113533 +1 58.01719033 +1 33.24973898 +1 0.1952 H( 1633 LYS 58) -9.23740365 +1 56.40691398 +1 30.59473006 +1 0.1603 H( 1634 LYS 58) -10.36886798 +1 56.33833570 +1 31.95469603 +1 0.1673 H( 1635 LYS 58) -9.65492097 +1 58.97385885 +1 30.45881515 +1 0.1569 H( 1636 LYS 58) -10.89448863 +1 58.76663638 +1 31.70353392 +1 0.1125 H( 1637 LYS 58) -10.85536925 +1 57.87710119 +1 28.80679568 +1 0.1606 H( 1638 LYS 58) -11.62416072 +1 56.73087301 +1 29.87283930 +1 0.1666 H( 1639 LYS 58) -12.46663753 +1 59.67539089 +1 30.15594573 +1 0.0772 H( 1640 LYS 58) -13.07108277 +1 58.70457047 +1 28.79217071 +1 0.1352 H( 1641 LYS 58) -13.25996504 +1 57.27402585 +1 31.28471900 +1 0.2228 H( 1642 LYS 58) -14.21819800 +1 58.61721825 +1 31.18185781 +1 0.2188 H( 1643 LEU* 59) -6.55574886 +1 55.74432865 +1 31.67577856 +1 0.3171 H( 1644 LEU* 59) -7.22019206 +1 53.65789354 +1 33.68835568 +1 0.2006 H( 1645 LEU 59) -4.95867559 +1 54.12471806 +1 31.55855001 +1 0.1461 H( 1646 LEU 59) -5.06141127 +1 52.68316010 +1 32.56790071 +1 0.1506 H( 1647 LEU 59) -7.54148584 +1 53.65340575 +1 30.92505838 +1 0.1440 H( 1648 LEU 59) -5.26718750 +1 51.81567499 +1 29.94859218 +1 0.1420 H( 1649 LEU 59) -6.81137657 +1 52.04672423 +1 29.14503527 +1 0.1421 H( 1650 LEU 59) -5.73244809 +1 53.41587960 +1 29.31796973 +1 0.1756 H( 1651 LEU 59) -6.60490104 +1 51.04891644 +1 32.33157863 +1 0.1576 H( 1652 LEU 59) -8.11868480 +1 51.22245829 +1 31.44914890 +1 0.1423 H( 1653 LEU 59) -7.85282680 +1 52.18408632 +1 32.89163528 +1 0.1662 H( 1654 ASN* 60) -5.64211830 +1 56.61596132 +1 33.92275222 +1 0.3355 H( 1655 ASN* 60) -4.40108202 +1 57.54947090 +1 35.47962688 +1 0.2019 H( 1656 ASN 60) -3.80765528 +1 56.21742550 +1 37.56631023 +1 0.2002 H( 1657 ASN 60) -4.47573206 +1 54.75864026 +1 36.83778165 +1 0.1968 H( 1658 ASN 60) -6.59740346 +1 54.39136117 +1 37.43856034 +1 0.2778 H( 1659 ASN 60) -7.74483778 +1 55.56606298 +1 37.89884081 +1 0.2808 H( 1660 MET* 61) -3.23502253 +1 56.33662861 +1 33.07305118 +1 0.3365 H( 1661 MET* 61) -0.63340965 +1 55.22764312 +1 34.16002071 +1 0.1874 H( 1662 MET 61) -1.39866901 +1 55.44299882 +1 31.17686147 +1 0.1698 H( 1663 MET 61) -2.35128958 +1 54.36650209 +1 32.20770937 +1 0.1726 H( 1664 MET 61) 0.67861760 +1 54.24809815 +1 31.62632369 +1 0.1672 H( 1665 MET 61) -0.04632575 +1 53.33024900 +1 32.97265576 +1 0.1480 H( 1666 MET 61) -2.72724770 +1 52.32466479 +1 32.16301555 +1 0.1906 H( 1667 MET 61) -2.76010421 +1 51.32632329 +1 30.71928412 +1 0.2049 H( 1668 MET 61) -3.04386120 +1 53.06180975 +1 30.57450664 +1 0.1834 H( 1669 LEU* 62) -1.79941080 +1 58.37644140 +1 33.85202724 +1 0.3373 H( 1670 LEU* 62) 0.78570361 +1 59.14143610 +1 32.47646691 +1 0.1796 H( 1671 LEU 62) -0.37262495 +1 61.36970629 +1 32.11765229 +1 0.1612 H( 1672 LEU 62) -1.89468958 +1 60.68910468 +1 32.69266857 +1 0.1800 H( 1673 LEU 62) -2.11838565 +1 59.23640834 +1 30.81774392 +1 0.1192 H( 1674 LEU 62) -1.06513106 +1 61.90806833 +1 29.68997744 +1 0.1557 H( 1675 LEU 62) -2.20500576 +1 60.79942053 +1 28.92534299 +1 0.1387 H( 1676 LEU 62) -2.66412819 +1 61.67299071 +1 30.40723438 +1 0.1844 H( 1677 LEU 62) 0.76429291 +1 60.02815568 +1 30.02239381 +1 0.1795 H( 1678 LEU 62) 0.22707548 +1 58.43783421 +1 30.59971897 +1 0.1374 H( 1679 LEU 62) -0.32513174 +1 59.04705812 +1 29.03728074 +1 0.1466 H( 1680 ASP* 63) 2.08054783 +1 60.75661303 +1 33.40748520 +1 0.3386 H( 1681 ASP* 63) 1.34978381 +1 61.06070082 +1 36.34438869 +1 0.2096 H( 1682 ASP 63) 3.68393182 +1 61.44053950 +1 36.80496043 +1 0.2164 H( 1683 ASP 63) 3.59170439 +1 60.05834096 +1 35.74740483 +1 0.2091 H( 1684 ASP 63) 6.15807580 +1 61.75681780 +1 33.94689212 +1 0.3790 H( 1685 PRO* 64) 0.66679795 +1 65.33987028 +1 36.20780069 +1 0.1991 H( 1686 PRO 64) 3.34763287 +1 65.81010465 +1 37.72218775 +1 0.1525 H( 1687 PRO 64) 1.75493291 +1 66.48527318 +1 38.06250825 +1 0.1570 H( 1688 PRO 64) 2.54053671 +1 64.34704264 +1 39.50611356 +1 0.1656 H( 1689 PRO 64) 0.88781743 +1 64.38284901 +1 38.90066235 +1 0.1659 H( 1690 PRO 64) 3.26761115 +1 62.78993848 +1 37.80971625 +1 0.1288 H( 1691 PRO 64) 1.53013487 +1 62.32762958 +1 37.90023522 +1 0.1511 H( 1692 GLU* 65) 4.06556506 +1 64.64113579 +1 35.13587119 +1 0.2826 H( 1693 GLU* 65) 4.01017163 +1 67.19845015 +1 33.57127152 +1 0.2198 H( 1694 GLU 65) 6.17104512 +1 67.02152780 +1 33.98478077 +1 0.1968 H( 1695 GLU 65) 6.03654019 +1 65.45847685 +1 34.73148727 +1 0.1382 H( 1696 GLU 65) 6.89483261 +1 64.38135619 +1 33.11658696 +1 0.1708 H( 1697 GLU 65) 6.12516077 +1 65.31614723 +1 31.73105593 +1 0.2390 H( 1698 GLU 65) 9.46160523 +1 66.37653321 +1 31.23364844 +1 0.3802 H( 1699 GLY* 66) 2.22107440 +1 64.40461959 +1 33.21977811 +1 0.3251 H( 1700 GLY* 66) 2.25382268 +1 64.83679460 +1 30.27261100 +1 0.2070 H( 1701 GLY* 66) 1.07797329 +1 63.89476061 +1 31.26292454 +1 0.1896 H( 1702 ASN* 67) 4.05828764 +1 62.66107381 +1 32.37271180 +1 0.3100 H( 1703 ASN* 67) 4.70441231 +1 61.29148131 +1 29.77441035 +1 0.2024 H( 1704 ASN 67) 6.75403729 +1 60.48739744 +1 31.16957281 +1 0.2260 H( 1705 ASN 67) 6.15742870 +1 61.43484706 +1 32.53822877 +1 0.1283 H( 1706 ASN 67) 8.09066700 +1 64.09732969 +1 30.97849015 +1 0.3082 H( 1707 ASN 67) 7.99738502 +1 63.08114195 +1 32.33448963 +1 0.2604 H( 1708 LEU* 68) 5.33288381 +1 58.67889611 +1 30.33174176 +1 0.3006 H( 1709 LEU* 68) 2.83853497 +1 57.47882926 +1 31.35469995 +1 0.1967 H( 1710 LEU 68) 5.74976324 +1 56.42872827 +1 30.89148940 +1 0.1561 H( 1711 LEU 68) 4.50104022 +1 56.52757233 +1 29.62554933 +1 0.1648 H( 1712 LEU 68) 4.10536796 +1 54.87667521 +1 32.23033642 +1 0.1116 H( 1713 LEU 68) 2.64942832 +1 55.07247506 +1 29.48202218 +1 0.1730 H( 1714 LEU 68) 2.35253057 +1 53.78507801 +1 30.64542484 +1 0.1665 H( 1715 LEU 68) 1.97652226 +1 55.45477059 +1 31.07786716 +1 0.1733 H( 1716 LEU 68) 6.09294765 +1 54.08409833 +1 30.84677348 +1 0.1491 H( 1717 LEU 68) 4.76375317 +1 52.93577505 +1 30.78710914 +1 0.1571 H( 1718 LEU 68) 5.05946960 +1 53.99897754 +1 29.41109522 +1 0.1790 H( 1719 HIS* 69) 2.38709550 +1 56.89188809 +1 33.49168197 +1 0.3362 H( 1720 HIS* 69) 4.48342066 +1 57.28717013 +1 35.62825311 +1 0.1830 H( 1721 HIS 69) 2.04816633 +1 57.94929210 +1 35.96860367 +1 0.1925 H( 1722 HIS 69) 1.50729898 +1 56.31115808 +1 35.57444097 +1 0.1762 H( 1723 HIS 69) 2.67660377 +1 54.34073659 +1 37.72024254 +1 0.1861 H( 1724 HIS 69) 2.96506511 +1 57.44089006 +1 40.51079272 +1 0.2000 H( 1725 HIS 69) 2.72643732 +1 54.88928381 +1 40.15020622 +1 0.2745 H( 1726 HIS* 70) 5.95179398 +1 55.64198778 +1 35.85254157 +1 0.3535 H( 1727 HIS* 70) 5.57541196 +1 53.20083295 +1 34.29907439 +1 0.1917 H( 1728 HIS 70) 7.68383138 +1 52.47206456 +1 35.55106610 +1 0.1946 H( 1729 HIS 70) 7.57377816 +1 53.90770369 +1 36.58536034 +1 0.1738 H( 1730 HIS 70) 6.83238157 +1 55.98219465 +1 33.72778730 +1 0.2044 H( 1731 HIS 70) 10.86511004 +1 54.89769027 +1 32.92064569 +1 0.2186 H( 1732 HIS 70) 8.88418672 +1 56.49188636 +1 32.35702431 +1 0.2932 H( 1733 GLY* 71) 5.02294776 +1 53.89341577 +1 37.84005006 +1 0.3013 H( 1734 GLY* 71) 4.80197673 +1 51.13495491 +1 38.60382652 +1 0.2248 H( 1735 GLY* 71) 4.07146097 +1 52.54064929 +1 39.46360024 +1 0.1816 H( 1736 ASN* 72) 2.33940889 +1 53.38049274 +1 36.94188575 +1 0.3183 H( 1737 ASN* 72) 0.25989007 +1 51.39579949 +1 37.89349405 +1 0.2311 H( 1738 ASN 72) -0.07239595 +1 54.04646413 +1 36.27959132 +1 0.1903 H( 1739 ASN 72) -1.34637767 +1 52.92180637 +1 36.73765531 +1 0.2175 H( 1740 ASN 72) -1.06729258 +1 55.70941706 +1 39.27382386 +1 0.2728 H( 1741 ASN 72) -1.15376284 +1 55.72376396 +1 37.56714487 +1 0.3195 H( 1742 ALA* 73) 2.29789895 +1 52.62604824 +1 35.09078733 +1 0.3211 H( 1743 ALA* 73) 0.71619094 +1 51.17325170 +1 33.10904225 +1 0.2125 H( 1744 ALA 73) 3.77048688 +1 51.72520488 +1 33.03906813 +1 0.1744 H( 1745 ALA 73) 2.65955756 +1 51.41723263 +1 31.69059186 +1 0.1982 H( 1746 ALA 73) 2.55826928 +1 52.93088977 +1 32.60147939 +1 0.2001 H( 1747 MET* 74) 3.53676639 +1 50.27490628 +1 35.35848423 +1 0.3385 H( 1748 MET* 74) 3.79706363 +1 47.61017121 +1 34.23919412 +1 0.1892 H( 1749 MET 74) 5.35991133 +1 48.75806876 +1 35.87378900 +1 0.1629 H( 1750 MET 74) 4.10232798 +1 48.84244905 +1 37.10843453 +1 0.1608 H( 1751 MET 74) 5.31482244 +1 46.87228372 +1 37.70147848 +1 0.1528 H( 1752 MET 74) 3.85549095 +1 46.24782933 +1 36.94081611 +1 0.1876 H( 1753 MET 74) 8.01509913 +1 45.96179246 +1 35.00316056 +1 0.1827 H( 1754 MET 74) 7.78516379 +1 46.43863573 +1 36.70310025 +1 0.1663 H( 1755 MET 74) 7.33994405 +1 47.54713462 +1 35.40483436 +1 0.1661 H( 1756 GLU* 75) 1.44228795 +1 48.94443179 +1 36.77459326 +1 0.3166 H( 1757 GLU* 75) 0.35954904 +1 46.30004510 +1 37.40627170 +1 0.1992 H( 1758 GLU 75) -0.75365464 +1 49.24412335 +1 37.60116567 +1 0.1553 H( 1759 GLU 75) -1.65004420 +1 47.82896748 +1 38.18282875 +1 0.1925 H( 1760 GLU 75) 1.23973111 +1 48.64827821 +1 39.03888310 +1 0.1829 H( 1761 GLU 75) 0.50558463 +1 47.07602425 +1 39.46807493 +1 0.1884 H( 1762 GLU 75) 1.11620037 +1 48.36305007 +1 41.54642631 +1 0.3712 H( 1763 PHE* 76) -0.69422002 +1 48.88810761 +1 34.98516338 +1 0.3422 H( 1764 PHE* 76) -2.97882126 +1 47.38352615 +1 34.09564743 +1 0.1835 H( 1765 PHE 76) -0.97347170 +1 49.25829561 +1 32.57355429 +1 0.1675 H( 1766 PHE 76) -2.37354947 +1 49.79309650 +1 33.48075172 +1 0.1682 H( 1767 PHE 76) -4.76698483 +1 49.03281710 +1 32.61036030 +1 0.1659 H( 1768 PHE 76) -1.11221598 +1 48.55026678 +1 30.42567626 +1 0.1447 H( 1769 PHE 76) -6.06223817 +1 48.71741068 +1 30.52617047 +1 0.1560 H( 1770 PHE 76) -2.38974990 +1 48.16533409 +1 28.31139629 +1 0.1496 H( 1771 PHE 76) -4.86764669 +1 48.20756257 +1 28.40744759 +1 0.1513 H( 1772 ALA* 77) 0.60068239 +1 47.28494807 +1 32.98109658 +1 0.3427 H( 1773 ALA* 77) -0.15971213 +1 45.50271775 +1 30.77191738 +1 0.1852 H( 1774 ALA 77) 2.59473424 +1 45.95752435 +1 32.16936698 +1 0.1709 H( 1775 ALA 77) 2.32521880 +1 45.24740802 +1 30.56773895 +1 0.1591 H( 1776 ALA 77) 1.93750373 +1 46.95514091 +1 30.86784304 +1 0.1850 H( 1777 LYS* 78) 1.01578332 +1 44.84276508 +1 34.19929080 +1 0.3284 H( 1778 LYS* 78) 1.18583293 +1 41.97334350 +1 33.69813842 +1 0.1805 H( 1779 LYS 78) 1.04093270 +1 41.89811351 +1 36.26140773 +1 0.1624 H( 1780 LYS 78) 0.77610614 +1 43.65870133 +1 36.31052655 +1 0.1517 H( 1781 LYS 78) 3.08990051 +1 42.77557334 +1 34.57432201 +1 0.1450 H( 1782 LYS 78) 2.92806296 +1 44.17784912 +1 35.60825343 +1 0.1490 H( 1783 LYS 78) 4.61875577 +1 43.01097100 +1 36.72683673 +1 0.1283 H( 1784 LYS 78) 3.22954524 +1 42.38735522 +1 37.62387340 +1 0.1659 H( 1785 LYS 78) 4.74449658 +1 41.03475143 +1 35.30537519 +1 0.0899 H( 1786 LYS 78) 3.05075344 +1 40.58076525 +1 35.63284509 +1 0.1595 H( 1787 LYS 78) 5.30320852 +1 40.24549139 +1 37.53229058 +1 0.1982 H( 1788 LYS 78) 4.17952186 +1 39.15229004 +1 37.05126705 +1 0.2100 H( 1789 LYS* 79) -1.50473726 +1 44.20496960 +1 34.67905133 +1 0.3304 H( 1790 LYS* 79) -3.29004786 +1 42.12298421 +1 35.72125218 +1 0.1867 H( 1791 LYS 79) -3.63306796 +1 44.81512354 +1 34.17771336 +1 0.1706 H( 1792 LYS 79) -3.65375783 +1 44.60720167 +1 35.93532784 +1 0.1583 H( 1793 LYS 79) -5.79994350 +1 43.61039959 +1 33.95814268 +1 0.1614 H( 1794 LYS 79) -5.81692059 +1 43.26161185 +1 35.68287903 +1 0.1482 H( 1795 LYS 79) -5.63247825 +1 45.86850073 +1 36.06645374 +1 0.1459 H( 1796 LYS 79) -5.97615328 +1 46.05114944 +1 34.34231070 +1 0.1365 H( 1797 LYS 79) -7.78885258 +1 44.27395241 +1 36.11207137 +1 0.1173 H( 1798 LYS 79) -8.17912591 +1 45.00038055 +1 34.53711068 +1 0.1368 H( 1799 LYS 79) -7.76350368 +1 46.51785512 +1 37.06345449 +1 0.2070 H( 1800 LYS 79) -9.14364962 +1 46.40000438 +1 36.21053346 +1 0.2082 H( 1801 HIS* 80) -2.59601631 +1 43.48184687 +1 32.35437996 +1 0.3194 H( 1802 HIS* 80) -4.51122876 +1 41.41434843 +1 31.28898227 +1 0.2104 H( 1803 HIS 80) -2.84774763 +1 43.74520905 +1 29.99287056 +1 0.1509 H( 1804 HIS 80) -4.02258740 +1 42.71661350 +1 29.13798851 +1 0.1736 H( 1805 HIS 80) -4.10092973 +1 45.99961291 +1 31.08954385 +1 0.2079 H( 1806 HIS 80) -7.99056913 +1 44.36195950 +1 31.59318580 +1 0.2008 H( 1807 HIS 80) -6.49060490 +1 46.47504436 +1 31.80269336 +1 0.2909 H( 1808 GLY* 81) -1.51083096 +1 40.75527321 +1 32.44707372 +1 0.3083 H( 1809 GLY* 81) -0.96920607 +1 38.52077040 +1 32.03498007 +1 0.1974 H( 1810 GLY* 81) -1.38933908 +1 38.68482079 +1 30.30080032 +1 0.2072 H( 1811 ALA* 82) 0.66410709 +1 41.38507756 +1 31.08653147 +1 0.3392 H( 1812 ALA* 82) 2.86295983 +1 40.00157189 +1 29.67684862 +1 0.1436 H( 1813 ALA 82) 4.08164679 +1 42.17222748 +1 30.21106949 +1 0.1590 H( 1814 ALA 82) 2.51639177 +1 42.46476607 +1 29.41541178 +1 0.1838 H( 1815 ALA 82) 2.69164157 +1 42.72847464 +1 31.16509198 +1 0.1850 H( 1816 ASP* 83) 4.85608040 +1 39.14413618 +1 30.69938016 +1 0.3108 H( 1817 ASP* 83) 4.51379202 +1 38.89395267 +1 33.69473304 +1 0.2211 H( 1818 ASP 83) 6.38680703 +1 37.30666879 +1 33.49092580 +1 0.2234 H( 1819 ASP 83) 5.17980260 +1 36.94212972 +1 32.30613951 +1 0.2410 H( 1820 ASP 83) 8.22113155 +1 36.70562885 +1 30.38104032 +1 0.3992 H( 1821 GLU* 84) 6.99342325 +1 39.34961238 +1 34.74786564 +1 0.2908 H( 1822 GLU* 84) 7.00850170 +1 42.22709056 +1 34.55382862 +1 0.2059 H( 1823 GLU 84) 9.02240808 +1 40.12719539 +1 35.75632267 +1 0.1589 H( 1824 GLU 84) 7.72499178 +1 40.98307065 +1 36.60150835 +1 0.1734 H( 1825 GLU 84) 10.32061591 +1 42.15551108 +1 35.39078679 +1 0.2012 H( 1826 GLU 84) 8.92636338 +1 43.21172278 +1 35.65478243 +1 0.1906 H( 1827 GLU 84) 10.50179310 +1 43.55225456 +1 38.83609450 +1 0.3776 H( 1828 THR* 85) 9.17107721 +1 39.75064995 +1 32.82347901 +1 0.3133 H( 1829 THR* 85) 11.03780369 +1 41.85489096 +1 32.05747230 +1 0.2117 H( 1830 THR 85) 10.17815284 +1 39.10337026 +1 30.78647679 +1 0.1491 H( 1831 THR 85) 12.48020953 +1 39.76050430 +1 32.34144605 +1 0.3270 H( 1832 THR 85) 12.45737221 +1 41.09446929 +1 30.04500800 +1 0.2007 H( 1833 THR 85) 12.68115381 +1 39.34231238 +1 29.92267770 +1 0.1807 H( 1834 THR 85) 11.44388969 +1 40.11901518 +1 28.94614751 +1 0.1850 H( 1835 MET* 86) 7.81197856 +1 40.57906336 +1 30.59117238 +1 0.3625 H( 1836 MET* 86) 8.61665274 +1 42.24108343 +1 28.14424540 +1 0.1806 H( 1837 MET 86) 7.15300090 +1 40.32762312 +1 27.80178386 +1 0.1748 H( 1838 MET 86) 6.12475721 +1 40.70759965 +1 29.19791421 +1 0.1506 H( 1839 MET 86) 6.35818048 +1 42.47197634 +1 26.65491855 +1 0.1866 H( 1840 MET 86) 5.27288401 +1 42.81422785 +1 28.02077905 +1 0.1802 H( 1841 MET 86) 4.66794798 +1 42.71969564 +1 25.11612533 +1 0.1889 H( 1842 MET 86) 3.34010246 +1 41.60631956 +1 24.79043704 +1 0.1942 H( 1843 MET 86) 3.15435545 +1 42.81522911 +1 26.09819886 +1 0.1796 H( 1844 ALA* 87) 6.47335409 +1 42.66601111 +1 31.11243207 +1 0.3323 H( 1845 ALA* 87) 5.32100150 +1 45.13783953 +1 30.39134298 +1 0.1850 H( 1846 ALA 87) 6.26538452 +1 44.18531239 +1 33.21163954 +1 0.1786 H( 1847 ALA 87) 4.69266813 +1 43.84777012 +1 32.47736102 +1 0.1797 H( 1848 ALA 87) 5.14054154 +1 45.51656728 +1 32.86142962 +1 0.1893 H( 1849 GLN* 88) 8.52875990 +1 44.52158768 +1 32.03228172 +1 0.3293 H( 1850 GLN* 88) 9.08792220 +1 47.37042856 +1 32.27089468 +1 0.1942 H( 1851 GLN 88) 11.06199970 +1 44.93951362 +1 32.09069069 +1 0.1548 H( 1852 GLN 88) 10.19434926 +1 45.40343688 +1 33.56310878 +1 0.1486 H( 1853 GLN 88) 12.51353951 +1 46.49091529 +1 33.42803832 +1 0.1750 H( 1854 GLN 88) 12.07095952 +1 47.27187723 +1 31.90397919 +1 0.1906 H( 1855 GLN 88) 10.47663818 +1 46.91920134 +1 35.16136241 +1 0.2878 H( 1856 GLN 88) 10.12229580 +1 48.58802136 +1 35.34806469 +1 0.3060 H( 1857 GLN* 89) 9.56592608 +1 44.96901965 +1 29.59565548 +1 0.3278 H( 1858 GLN* 89) 11.36642889 +1 46.78580035 +1 28.13639253 +1 0.1919 H( 1859 GLN 89) 11.26205617 +1 44.30777885 +1 27.67998105 +1 0.1560 H( 1860 GLN 89) 9.58503662 +1 44.44755316 +1 27.10233002 +1 0.1462 H( 1861 GLN 89) 11.44916836 +1 46.53471751 +1 25.91554696 +1 0.2060 H( 1862 GLN 89) 10.17786736 +1 45.62403013 +1 25.14475364 +1 0.1984 H( 1863 GLN 89) 12.70077884 +1 42.75283170 +1 24.88413631 +1 0.2691 H( 1864 GLN 89) 11.15550065 +1 42.89131910 +1 25.59824511 +1 0.2921 H( 1865 LEU* 90) 7.71624099 +1 46.29446544 +1 28.27777493 +1 0.3184 H( 1866 LEU* 90) 7.32696005 +1 48.15947619 +1 26.06085000 +1 0.1916 H( 1867 LEU 90) 5.55129777 +1 47.52153080 +1 28.53736114 +1 0.1633 H( 1868 LEU 90) 5.00731566 +1 48.35077442 +1 27.07264299 +1 0.1745 H( 1869 LEU 90) 6.08422654 +1 45.43303712 +1 27.11471908 +1 0.1180 H( 1870 LEU 90) 3.95801736 +1 45.62365805 +1 28.43382473 +1 0.1402 H( 1871 LEU 90) 3.62332190 +1 44.84361225 +1 26.87386814 +1 0.1558 H( 1872 LEU 90) 3.18154924 +1 46.53019622 +1 27.12688802 +1 0.1540 H( 1873 LEU 90) 6.28955887 +1 46.65158005 +1 24.91578358 +1 0.1584 H( 1874 LEU 90) 4.98199862 +1 45.46233061 +1 24.80916322 +1 0.1756 H( 1875 LEU 90) 4.59744093 +1 47.16927470 +1 25.01064521 +1 0.1656 H( 1876 ILE* 91) 7.51409206 +1 48.64874402 +1 29.69847745 +1 0.3204 H( 1877 ILE* 91) 6.91810990 +1 51.49172522 +1 29.64397303 +1 0.1784 H( 1878 ILE 91) 8.60136786 +1 49.66334747 +1 31.51940400 +1 0.1360 H( 1879 ILE 91) 6.00685449 +1 49.37432986 +1 31.15722534 +1 0.1515 H( 1880 ILE 91) 5.82964759 +1 50.97778582 +1 31.90530761 +1 0.1392 H( 1881 ILE 91) 9.43397645 +1 51.91444781 +1 31.94845378 +1 0.1750 H( 1882 ILE 91) 8.32142899 +1 51.52748881 +1 33.23556670 +1 0.1514 H( 1883 ILE 91) 7.80262271 +1 52.62669537 +1 31.94187793 +1 0.1561 H( 1884 ILE 91) 7.05031750 +1 48.45873184 +1 33.20312859 +1 0.1579 H( 1885 ILE 91) 5.47287473 +1 49.19162804 +1 33.56440793 +1 0.1515 H( 1886 ILE 91) 6.95731320 +1 50.04208438 +1 34.00062494 +1 0.1318 H( 1887 ASP* 92) 10.13793600 +1 49.66608280 +1 29.43994085 +1 0.3441 H( 1888 ASP* 92) 11.58615949 +1 52.12651280 +1 29.20458630 +1 0.1961 H( 1889 ASP 92) 13.37212788 +1 50.77533862 +1 28.05328104 +1 0.2356 H( 1890 ASP 92) 12.25339753 +1 49.41647197 +1 27.81066450 +1 0.1987 H( 1891 ASP 92) 14.03538368 +1 48.41823303 +1 30.83049509 +1 0.3878 H( 1892 ILE* 93) 9.75128370 +1 50.16285988 +1 26.56477830 +1 0.3389 H( 1893 ILE* 93) 11.01667450 +1 51.82617699 +1 24.45791004 +1 0.2215 H( 1894 ILE 93) 8.34498795 +1 50.23274258 +1 24.76415141 +1 0.1241 H( 1895 ILE 93) 10.83320228 +1 49.60130979 +1 23.05722787 +1 0.1547 H( 1896 ILE 93) 10.63352719 +1 49.01061748 +1 24.71858758 +1 0.1604 H( 1897 ILE 93) 9.44993355 +1 51.84276956 +1 22.36402369 +1 0.1746 H( 1898 ILE 93) 8.25557029 +1 50.54941101 +1 22.18198573 +1 0.1545 H( 1899 ILE 93) 7.85304028 +1 51.96576942 +1 23.14554441 +1 0.1419 H( 1900 ILE 93) 9.91298321 +1 47.32531662 +1 23.01064466 +1 0.1382 H( 1901 ILE 93) 8.58588125 +1 47.74711810 +1 24.09751875 +1 0.1383 H( 1902 ILE 93) 8.62624329 +1 48.39247800 +1 22.44748594 +1 0.1492 H( 1903 VAL* 94) 7.94009782 +1 52.22771311 +1 26.40334734 +1 0.3308 H( 1904 VAL* 94) 7.12542018 +1 54.60508632 +1 25.01047261 +1 0.1922 H( 1905 VAL 94) 6.68336482 +1 53.67724025 +1 27.93698031 +1 0.1511 H( 1906 VAL 94) 6.18300298 +1 56.12073753 +1 27.75549414 +1 0.1478 H( 1907 VAL 94) 4.68231160 +1 55.18541389 +1 27.88201818 +1 0.1566 H( 1908 VAL 94) 5.17857598 +1 55.84769392 +1 26.31789839 +1 0.1595 H( 1909 VAL 94) 5.81951046 +1 52.02533724 +1 26.31403357 +1 0.1905 H( 1910 VAL 94) 4.44756040 +1 52.92453118 +1 26.95326592 +1 0.1546 H( 1911 VAL 94) 5.03281720 +1 53.28483642 +1 25.33532075 +1 0.1657 H( 1912 HIS* 95) 9.22326961 +1 54.14183741 +1 27.94736313 +1 0.3379 H( 1913 HIS* 95) 9.53232879 +1 57.00341916 +1 28.38498843 +1 0.1963 H( 1914 HIS 95) 11.24674149 +1 54.52698506 +1 29.21004555 +1 0.1880 H( 1915 HIS 95) 9.79330738 +1 55.09179102 +1 30.04602590 +1 0.1724 H( 1916 HIS 95) 10.17325312 +1 57.95561810 +1 31.14228943 +1 0.2140 H( 1917 HIS 95) 14.39472153 +1 57.44149740 +1 31.22273195 +1 0.2071 H( 1918 HIS 95) 12.35390578 +1 58.82206943 +1 32.03638819 +1 0.2645 H( 1919 GLY* 96) 11.66457932 +1 54.61627259 +1 26.49255166 +1 0.3211 H( 1920 GLY* 96) 13.57847567 +1 56.54323800 +1 25.59846745 +1 0.1907 H( 1921 GLY* 96) 13.04963943 +1 55.02775456 +1 24.77652162 +1 0.2153 H( 1922 CYS* 97) 10.21746987 +1 55.69308680 +1 24.34197142 +1 0.3385 H( 1923 CYS* 97) 10.60760075 +1 57.42552649 +1 21.92550048 +1 0.2255 H( 1924 CYS 97) 8.23155639 +1 55.99828912 +1 23.47956693 +1 0.1987 H( 1925 CYS 97) 7.90908209 +1 57.01837767 +1 22.05816170 +1 0.1717 H( 1926 GLU* 98) 9.58224801 +1 58.01226326 +1 25.39544634 +1 0.3345 H( 1927 GLU* 98) 8.41818881 +1 60.61911372 +1 24.60195473 +1 0.1988 H( 1928 GLU 98) 9.55161319 +1 59.77282793 +1 27.37631929 +1 0.1585 H( 1929 GLU 98) 8.57164753 +1 61.20331731 +1 27.00875716 +1 0.1769 H( 1930 GLU 98) 7.67146811 +1 58.27822960 +1 26.53326598 +1 0.2239 H( 1931 GLU 98) 6.67042858 +1 59.72783438 +1 26.30248770 +1 0.1848 H( 1932 GLU 98) 5.08400225 +1 59.20597768 +1 27.89818793 +1 0.3974 H( 1933 LYS* 99) 11.74317167 +1 59.37268224 +1 25.16861830 +1 0.3161 H( 1934 LYS* 99) 12.77288232 +1 62.13732036 +1 25.40881395 +1 0.2058 H( 1935 LYS 99) 14.99067416 +1 60.99419487 +1 25.27730156 +1 0.1658 H( 1936 LYS 99) 14.22500899 +1 59.43024179 +1 24.93577407 +1 0.1593 H( 1937 LYS 99) 14.82978947 +1 59.41245831 +1 27.23594543 +1 0.1435 H( 1938 LYS 99) 13.08059233 +1 59.47038879 +1 27.17393578 +1 0.1595 H( 1939 LYS 99) 14.61057121 +1 62.13452621 +1 27.34441817 +1 0.1635 H( 1940 LYS 99) 14.60864111 +1 61.10904462 +1 28.76768405 +1 0.1280 H( 1941 LYS 99) 12.70004695 +1 62.76766008 +1 28.80053466 +1 0.1516 H( 1942 LYS 99) 12.06618936 +1 62.10771601 +1 27.28540068 +1 0.1617 H( 1943 LYS 99) 12.37319218 +1 60.54729181 +1 29.80027633 +1 0.1925 H( 1944 LYS 99) 11.77173311 +1 59.95978000 +1 28.40884502 +1 0.2323 H( 1945 SER*100) 12.44617430 +1 59.57229277 +1 22.78679312 +1 0.3270 H( 1946 SER*100) 14.34303153 +1 61.14348411 +1 21.13598533 +1 0.2029 H( 1947 SER 100) 14.06619047 +1 58.51433238 +1 21.17269332 +1 0.1681 H( 1948 SER 100) 13.88332868 +1 59.25886608 +1 19.52187462 +1 0.1406 H( 1949 SER 100) 11.63468138 +1 58.94647674 +1 19.78514136 +1 0.3309 H( 1950 THR*101) 10.86762948 +1 61.50093503 +1 21.86043988 +1 0.3134 H( 1951 THR*101) 10.33945583 +1 62.09213690 +1 18.96349823 +1 0.1978 H( 1952 THR 101) 8.63722615 +1 62.46952915 +1 21.56016528 +1 0.1319 H( 1953 THR 101) 9.15079009 +1 60.20948448 +1 21.01741675 +1 0.3586 H( 1954 THR 101) 7.74734632 +1 63.88801513 +1 19.66940050 +1 0.1803 H( 1955 THR 101) 7.77427435 +1 62.48378455 +1 18.56968850 +1 0.1617 H( 1956 THR 101) 6.70078541 +1 62.49539500 +1 19.97621521 +1 0.1706 H( 1957 PRO*102) 11.71864670 +1 66.40153136 +1 19.73365460 +1 0.1695 H( 1958 PRO 102) 11.00725932 +1 67.69423542 +1 17.82292776 +1 0.1528 H( 1959 PRO 102) 9.37607122 +1 67.02092430 +1 17.81635965 +1 0.1657 H( 1960 PRO 102) 11.99934627 +1 65.61775849 +1 16.97605659 +1 0.1644 H( 1961 PRO 102) 10.48928388 +1 65.71334662 +1 16.06593232 +1 0.1513 H( 1962 PRO 102) 11.03595282 +1 63.46977807 +1 17.56457979 +1 0.1767 H( 1963 PRO 102) 9.34716614 +1 64.12474593 +1 17.54471631 +1 0.1414 H( 1964 ALA*103) 11.06253544 +1 68.08583517 +1 21.14590707 +1 0.2792 H( 1965 ALA*103) 8.67418773 +1 67.57589092 +1 22.74811443 +1 0.1875 H( 1966 ALA 103) 10.65754021 +1 68.83721760 +1 23.65116836 +1 0.1967 H( 1967 ALA 103) 9.21198080 +1 69.85215096 +1 23.68425710 +1 0.1983 H( 1968 ALA 103) 10.44728062 +1 70.12280308 +1 22.44213070 +1 0.1652 H( 1969 ASN*104) 6.79653833 +1 68.96395544 +1 22.78304250 +1 0.3425 H( 1970 ASN*104) 6.23671877 +1 70.72299488 +1 20.44951469 +1 0.1649 H( 1971 ASN 104) 5.72263252 +1 68.08828513 +1 19.98784895 +1 0.2270 H( 1972 ASN 104) 4.32619450 +1 68.34071705 +1 21.01047913 +1 0.2193 H( 1973 ASN 104) 5.55460820 +1 68.64229919 +1 17.89024499 +1 0.3072 H( 1974 ASN 104) 4.29682868 +1 69.54752454 +1 17.15959733 +1 0.2682 H( 1975 ASP*105) 4.35951170 +1 72.13205643 +1 21.09749000 +1 0.2764 H( 1976 ASP*105) 3.47177490 +1 71.71833618 +1 23.94064485 +1 0.2365 H( 1977 ASP 105) 3.06555851 +1 74.10683444 +1 21.96255935 +1 0.1856 H( 1978 ASP 105) 2.46389808 +1 74.00892565 +1 23.62066407 +1 0.2222 H( 1979 ASP 105) 5.71357997 +1 75.85411870 +1 23.39530264 +1 0.3785 H( 1980 ASP*106) 2.36113454 +1 70.84994200 +1 20.70839158 +1 0.3364 H( 1981 ASP*106) -0.48562474 +1 70.92092469 +1 21.71005898 +1 0.1790 H( 1982 ASP 106) 0.70067437 +1 69.62737651 +1 19.14936945 +1 0.2284 H( 1983 ASP 106) 0.02025684 +1 71.25497701 +1 19.20793013 +1 0.2029 H( 1984 ASP 106) -2.04538441 +1 70.76571773 +1 18.00966594 +1 0.3841 H( 1985 LYS*107) -0.78950434 +1 69.32691243 +1 23.25053910 +1 0.3053 H( 1986 LYS*107) 1.11221331 +1 67.18182471 +1 23.68724967 +1 0.2159 H( 1987 LYS 107) -0.88372107 +1 66.42780481 +1 25.25096364 +1 0.1958 H( 1988 LYS 107) -1.75346382 +1 67.87812442 +1 24.73699689 +1 0.1467 H( 1989 LYS 107) 1.02670545 +1 67.75408947 +1 26.09104616 +1 0.1587 H( 1990 LYS 107) 0.32539944 +1 69.25666474 +1 25.48576383 +1 0.1346 H( 1991 LYS 107) -0.94337554 +1 67.45839985 +1 27.65843875 +1 0.1543 H( 1992 LYS 107) -1.67529240 +1 68.93821721 +1 27.04647931 +1 0.1497 H( 1993 LYS 107) 1.15142606 +1 68.80890786 +1 28.29515388 +1 0.1123 H( 1994 LYS 107) 0.32879517 +1 70.28480894 +1 27.72751702 +1 0.1275 H( 1995 LYS 107) 0.01434240 +1 70.06017319 +1 30.08743878 +1 0.2182 H( 1996 LYS 107) -0.73437638 +1 68.60884302 +1 29.93851026 +1 0.2196 H( 1997 CYS*108) -2.14311480 +1 67.30107235 +1 22.09719047 +1 0.3072 H( 1998 CYS*108) -2.48601932 +1 64.47167643 +1 21.62326455 +1 0.2005 H( 1999 CYS 108) -3.36181756 +1 67.03288571 +1 20.05941975 +1 0.1974 H( 2000 CYS 108) -3.84737380 +1 65.39536109 +1 19.63016363 +1 0.1959 H( 2001 ILE*109) -0.57278188 +1 67.01723576 +1 19.68064238 +1 0.2934 H( 2002 ILE*109) 0.09631307 +1 64.93716474 +1 17.71438186 +1 0.1889 H( 2003 ILE 109) 1.43175866 +1 67.64650711 +1 18.43728231 +1 0.1376 H( 2004 ILE 109) -0.47239494 +1 66.90451971 +1 16.11484157 +1 0.1600 H( 2005 ILE 109) -1.04152902 +1 67.61223705 +1 17.61722313 +1 0.1080 H( 2006 ILE 109) 3.01860285 +1 66.15079130 +1 17.18893141 +1 0.1790 H( 2007 ILE 109) 1.83197778 +1 65.90193062 +1 15.92145998 +1 0.1613 H( 2008 ILE 109) 2.48521391 +1 67.51455745 +1 16.19662392 +1 0.1523 H( 2009 ILE 109) 0.81245310 +1 68.91531280 +1 15.55856114 +1 0.1701 H( 2010 ILE 109) -0.77942039 +1 69.44898239 +1 16.07745940 +1 0.1398 H( 2011 ILE 109) 0.62000980 +1 69.59344390 +1 17.16761095 +1 0.1475 H( 2012 TRP*110) 1.79150650 +1 66.20697815 +1 20.72963063 +1 0.3076 H( 2013 TRP*110) 4.20249903 +1 64.69176059 +1 20.09527324 +1 0.1932 H( 2014 TRP 110) 4.06023326 +1 66.58037807 +1 21.75446448 +1 0.1617 H( 2015 TRP 110) 2.94836256 +1 65.65995571 +1 22.77389993 +1 0.1559 H( 2016 TRP 110) 6.79793133 +1 65.65791885 +1 21.81605297 +1 0.1915 H( 2017 TRP 110) 8.05597045 +1 64.36777413 +1 23.58437895 +1 0.3127 H( 2018 TRP 110) 2.72094215 +1 63.90082639 +1 24.44517706 +1 0.1337 H( 2019 TRP 110) 7.42529735 +1 62.89679401 +1 25.87596425 +1 0.1582 H( 2020 TRP 110) 3.19093446 +1 62.58316446 +1 26.49898440 +1 0.1533 H( 2021 TRP 110) 5.47815514 +1 62.13480736 +1 27.22949689 +1 0.1425 H( 2022 THR*111) 1.09121011 +1 63.90542774 +1 21.87105373 +1 0.3418 H( 2023 THR*111) 2.10391471 +1 61.31983508 +1 22.75503554 +1 0.2002 H( 2024 THR 111) -0.74464025 +1 62.33338083 +1 22.05030206 +1 0.1093 H( 2025 THR 111) 0.11651979 +1 63.55304284 +1 23.81511000 +1 0.3343 H( 2026 THR 111) -0.30274608 +1 60.25751621 +1 24.22529333 +1 0.1866 H( 2027 THR 111) -0.29716298 +1 59.65157123 +1 22.55950794 +1 0.1553 H( 2028 THR 111) -1.70556382 +1 60.53245154 +1 23.17644214 +1 0.1567 H( 2029 LEU*112) 0.61331285 +1 62.49299170 +1 19.62728944 +1 0.3248 H( 2030 LEU*112) 0.27240897 +1 59.80045065 +1 18.52691709 +1 0.1926 H( 2031 LEU 112) 0.89551246 +1 62.46557531 +1 17.05835580 +1 0.1582 H( 2032 LEU 112) -0.71651403 +1 62.03355168 +1 17.63154447 +1 0.1547 H( 2033 LEU 112) 0.94839702 +1 60.40995552 +1 15.58136783 +1 0.1437 H( 2034 LEU 112) -0.60514116 +1 58.96566110 +1 16.94523894 +1 0.1586 H( 2035 LEU 112) -1.18779164 +1 59.11517680 +1 15.28601921 +1 0.1472 H( 2036 LEU 112) -1.97237130 +1 60.03677510 +1 16.56709955 +1 0.1235 H( 2037 LEU 112) -0.04079085 +1 62.64230725 +1 14.74638491 +1 0.1410 H( 2038 LEU 112) -0.71208934 +1 61.23120126 +1 13.94425795 +1 0.1620 H( 2039 LEU 112) -1.65432530 +1 62.05570064 +1 15.19367060 +1 0.1493 H( 2040 GLY*113) 3.15133922 +1 62.15923793 +1 18.56942668 +1 0.3183 H( 2041 GLY*113) 5.33860040 +1 61.72358764 +1 18.13104274 +1 0.1975 H( 2042 GLY*113) 4.84672020 +1 60.43811509 +1 16.98738881 +1 0.2085 H( 2043 VAL*114) 4.38166018 +1 60.58392935 +1 20.64794160 +1 0.3315 H( 2044 VAL*114) 6.37436235 +1 58.51617492 +1 21.07091020 +1 0.2057 H( 2045 VAL 114) 3.79553299 +1 59.30587077 +1 22.68123294 +1 0.1221 H( 2046 VAL 114) 6.27058264 +1 57.60965377 +1 23.47459457 +1 0.1522 H( 2047 VAL 114) 4.63393150 +1 56.98350827 +1 23.24972029 +1 0.1575 H( 2048 VAL 114) 4.98037597 +1 58.11466067 +1 24.56497388 +1 0.1425 H( 2049 VAL 114) 6.76271479 +1 60.21125963 +1 22.74665077 +1 0.1873 H( 2050 VAL 114) 5.60307795 +1 60.57700277 +1 24.03468173 +1 0.1621 H( 2051 VAL 114) 5.35084717 +1 61.21540890 +1 22.42492662 +1 0.1846 H( 2052 ALA*115) 2.70369631 +1 58.40456134 +1 20.44141078 +1 0.3501 H( 2053 ALA*115) 2.80301470 +1 55.48124935 +1 20.78971540 +1 0.1807 H( 2054 ALA 115) 0.80817684 +1 57.21904341 +1 19.15911376 +1 0.1820 H( 2055 ALA 115) 0.59287071 +1 55.50681901 +1 19.62176951 +1 0.1855 H( 2056 ALA 115) 0.65321070 +1 56.78892899 +1 20.86328872 +1 0.1722 H( 2057 THR*116) 3.45408271 +1 57.56709613 +1 17.78403518 +1 0.3365 H( 2058 THR*116) 3.44117628 +1 55.02848241 +1 16.28627600 +1 0.2164 H( 2059 THR 116) 3.53789592 +1 56.11989623 +1 14.45083085 +1 0.1204 H( 2060 THR 116) 5.62097361 +1 56.55841386 +1 14.19398464 +1 0.3436 H( 2061 THR 116) 3.38850627 +1 58.77089380 +1 16.00291155 +1 0.1837 H( 2062 THR 116) 2.03784123 +1 57.63005470 +1 15.89698146 +1 0.1749 H( 2063 THR 116) 2.71711569 +1 58.36672193 +1 14.42574856 +1 0.2056 H( 2064 CYS*117) 5.98829529 +1 56.86977087 +1 18.11571222 +1 0.3372 H( 2065 CYS*117) 8.18080529 +1 55.18865885 +1 17.08381663 +1 0.2048 H( 2066 CYS 117) 8.44011773 +1 57.33624184 +1 18.40310093 +1 0.1856 H( 2067 CYS 117) 7.49990917 +1 56.69949087 +1 19.75848701 +1 0.1932 H( 2068 PHE*118) 5.80888707 +1 54.84526759 +1 19.84932669 +1 0.3387 H( 2069 PHE*118) 6.98673382 +1 52.41252311 +1 20.88695325 +1 0.1825 H( 2070 PHE 118) 5.21717315 +1 53.79289570 +1 22.04905090 +1 0.1686 H( 2071 PHE 118) 4.05682755 +1 53.45978615 +1 20.78387852 +1 0.1856 H( 2072 PHE 118) 6.09743462 +1 51.83517132 +1 23.48485995 +1 0.1638 H( 2073 PHE 118) 2.79060134 +1 51.38530607 +1 20.78181924 +1 0.1604 H( 2074 PHE 118) 5.32467577 +1 49.85959713 +1 24.69202099 +1 0.1352 H( 2075 PHE 118) 1.96699368 +1 49.42819960 +1 22.05410963 +1 0.1469 H( 2076 PHE 118) 3.31380311 +1 48.58787452 +1 24.01450862 +1 0.1443 H( 2077 LYS*119) 4.17888294 +1 52.85557027 +1 18.48444971 +1 0.3381 H( 2078 LYS*119) 3.84814530 +1 50.06047443 +1 17.90383646 +1 0.1758 H( 2079 LYS 119) 3.48407441 +1 52.70793387 +1 16.31412716 +1 0.1510 H( 2080 LYS 119) 2.26609058 +1 51.68882106 +1 17.12208477 +1 0.1383 H( 2081 LYS 119) 3.81367051 +1 51.04345272 +1 14.50067230 +1 0.1588 H( 2082 LYS 119) 2.92012026 +1 49.79485530 +1 15.37636253 +1 0.1491 H( 2083 LYS 119) 1.43470031 +1 52.45804281 +1 14.96097086 +1 0.1042 H( 2084 LYS 119) 0.77060674 +1 50.81780293 +1 15.00250465 +1 0.1474 H( 2085 LYS 119) 2.66781700 +1 51.70323067 +1 12.69187460 +1 0.1457 H( 2086 LYS 119) 0.90442988 +1 52.03123634 +1 12.62033418 +1 0.1185 H( 2087 LYS 119) 1.46536011 +1 49.83349665 +1 11.66593833 +1 0.2298 H( 2088 LYS 119) 0.53423622 +1 49.62060310 +1 12.98185078 +1 0.2388 H( 2089 ALA*120) 6.38571840 +1 52.36876203 +1 16.39742876 +1 0.3061 H( 2090 ALA*120) 7.18988118 +1 50.37060400 +1 14.46951521 +1 0.1966 H( 2091 ALA 120) 9.37815892 +1 51.68100706 +1 14.39403143 +1 0.1908 H( 2092 ALA 120) 7.96101074 +1 52.72670849 +1 14.16634796 +1 0.1817 H( 2093 ALA 120) 8.83413284 +1 52.72281303 +1 15.70949956 +1 0.1966 H( 2094 GLU*121) 8.38860552 +1 51.07912815 +1 17.88845939 +1 0.3445 H( 2095 GLU*121) 10.47247676 +1 49.06062550 +1 17.64322152 +1 0.2120 H( 2096 GLU 121) 10.22660310 +1 49.05924109 +1 20.24584764 +1 0.1723 H( 2097 GLU 121) 8.87816974 +1 50.22870860 +1 20.08248215 +1 0.1615 H( 2098 GLU 121) 11.03597772 +1 51.35815232 +1 20.60385230 +1 0.1900 H( 2099 GLU 121) 10.33328945 +1 51.91288855 +1 19.06666066 +1 0.2324 H( 2100 GLU 121) 13.60407645 +1 49.59379509 +1 18.54802990 +1 0.3680 H( 2101 ILE*122) 6.91085286 +1 48.83734866 +1 18.61081326 +1 0.3319 H( 2102 ILE*122) 7.29582505 +1 46.06500070 +1 19.56796361 +1 0.1934 H( 2103 ILE 122) 4.87531057 +1 47.72616587 +1 18.50514175 +1 0.1444 H( 2104 ILE 122) 5.91157704 +1 48.53536415 +1 20.66093903 +1 0.1434 H( 2105 ILE 122) 4.25330632 +1 47.98188160 +1 20.85896478 +1 0.1356 H( 2106 ILE 122) 4.88389459 +1 44.88360242 +1 19.73788181 +1 0.1605 H( 2107 ILE 122) 3.44525363 +1 45.90576339 +1 19.56179280 +1 0.1547 H( 2108 ILE 122) 4.30551405 +1 45.36648459 +1 18.12625874 +1 0.1675 H( 2109 ILE 122) 6.71297784 +1 46.20836295 +1 21.50280729 +1 0.1441 H( 2110 ILE 122) 5.01337593 +1 45.81203958 +1 21.84227173 +1 0.1572 H( 2111 ILE 122) 5.80748482 +1 47.13917071 +1 22.69966837 +1 0.1449 H( 2112 HIS*123) 6.42968305 +1 47.55444347 +1 16.25194728 +1 0.3361 H( 2113 HIS*123) 6.34448640 +1 44.94527894 +1 15.01459958 +1 0.2044 H( 2114 HIS 123) 7.24566108 +1 47.68664192 +1 13.85836359 +1 0.1584 H( 2115 HIS 123) 7.18217478 +1 46.17291498 +1 12.91111650 +1 0.1929 H( 2116 HIS 123) 4.96340931 +1 49.06534414 +1 13.89401088 +1 0.2076 H( 2117 HIS 123) 2.21009514 +1 46.01139261 +1 12.80933902 +1 0.2178 H( 2118 HIS 123) 2.54395378 +1 48.62636285 +1 13.25397944 +1 0.3453 H( 2119 LYS*124) 9.36244282 +1 46.98922612 +1 15.81183239 +1 0.3213 H( 2120 LYS*124) 11.09359285 +1 45.19319768 +1 14.35879088 +1 0.2021 H( 2121 LYS 124) 12.87608439 +1 45.83141328 +1 16.13017066 +1 0.1825 H( 2122 LYS 124) 11.69154338 +1 46.92186987 +1 16.87169363 +1 0.1507 H( 2123 LYS 124) 12.85414878 +1 47.05559583 +1 14.01785651 +1 0.1417 H( 2124 LYS 124) 11.39218220 +1 47.94561640 +1 14.46175564 +1 0.1446 H( 2125 LYS 124) 14.20412201 +1 48.26323578 +1 15.69686726 +1 0.1343 H( 2126 LYS 124) 12.76049340 +1 48.94610107 +1 16.45756391 +1 0.1407 H( 2127 LYS 124) 13.86851233 +1 50.62898008 +1 15.01576113 +1 0.1437 H( 2128 LYS 124) 13.75279461 +1 49.54492012 +1 13.59791667 +1 0.1105 H( 2129 LYS 124) 11.90668911 +1 51.01294736 +1 13.49099134 +1 0.2114 H( 2130 LYS 124) 11.19592224 +1 49.69760262 +1 14.16259905 +1 0.2266 H( 2131 LEU*125) 9.67667168 +1 44.96812794 +1 17.73242438 +1 0.3180 H( 2132 LEU*125) 11.36711792 +1 42.57984195 +1 18.29678586 +1 0.1984 H( 2133 LEU 125) 9.55214798 +1 42.57484497 +1 20.24249198 +1 0.1687 H( 2134 LEU 125) 8.85583415 +1 44.01852651 +1 19.52212418 +1 0.1604 H( 2135 LEU 125) 11.18365439 +1 45.16636874 +1 19.70357111 +1 0.1178 H( 2136 LEU 125) 10.98614755 +1 45.39006323 +1 22.27282272 +1 0.1666 H( 2137 LEU 125) 9.77747935 +1 44.10860752 +1 22.25889374 +1 0.1584 H( 2138 LEU 125) 9.45128862 +1 45.62923523 +1 21.42048064 +1 0.1593 H( 2139 LEU 125) 12.77114604 +1 44.06338635 +1 21.37772766 +1 0.1643 H( 2140 LEU 125) 12.59558114 +1 43.08127518 +1 19.91771536 +1 0.1637 H( 2141 LEU 125) 11.74896520 +1 42.62610912 +1 21.39762405 +1 0.1502 H( 2142 ASN*126) 8.73297466 +1 42.96387062 +1 16.06308630 +1 0.3338 H( 2143 ASN*126) 7.18727035 +1 41.61972482 +1 15.28073137 +1 0.1840 H( 2144 ASN 126) 9.22299803 +1 39.93865750 +1 15.02904688 +1 0.1824 H( 2145 ASN 126) 8.74305565 +1 39.17933888 +1 16.54062693 +1 0.2102 H( 2146 ASN 126) 6.45797480 +1 40.75180218 +1 14.18202134 +1 0.3114 H( 2147 ASN 126) 5.67645143 +1 39.33366082 +1 13.71053576 +1 0.2640 H( 2148 TRP*127) 6.64327019 +1 42.82789891 +1 17.87921659 +1 0.3318 H( 2149 TRP*127) 5.03189953 +1 40.65196934 +1 19.25239302 +1 0.1786 H( 2150 TRP 127) 6.04383145 +1 43.45558956 +1 20.14617274 +1 0.1656 H( 2151 TRP 127) 4.78813746 +1 42.53568677 +1 21.00936875 +1 0.1827 H( 2152 TRP 127) 7.37301698 +1 39.91481655 +1 19.92494637 +1 0.1821 H( 2153 TRP 127) 8.99728098 +1 39.48957659 +1 21.83991303 +1 0.2965 H( 2154 TRP 127) 6.19401513 +1 43.98446387 +1 22.85389410 +1 0.1470 H( 2155 TRP 127) 9.69999881 +1 40.68720232 +1 24.28011487 +1 0.1489 H( 2156 TRP 127) 7.44118700 +1 44.29428695 +1 25.01648715 +1 0.1451 H( 2157 TRP 127) 9.10650381 +1 42.63153399 +1 25.72744595 +1 0.1138 H( 2158 ALA*128) 4.42447129 +1 42.51032475 +1 16.56308933 +1 0.3241 H( 2159 ALA*128) 1.97887225 +1 43.81507716 +1 17.71415094 +1 0.1713 H( 2160 ALA 128) 3.24728816 +1 45.07574099 +1 15.93184803 +1 0.1785 H( 2161 ALA 128) 3.02475341 +1 43.74518271 +1 14.77623236 +1 0.2111 H( 2162 ALA 128) 1.62370377 +1 44.65099408 +1 15.38552302 +1 0.1663 H( 2163 PRO*129) -0.17977209 +1 39.95594119 +1 16.87699730 +1 0.1582 H( 2164 PRO 129) -2.43016126 +1 40.49040039 +1 17.63658179 +1 0.1654 H( 2165 PRO 129) -2.55729419 +1 41.91799277 +1 16.61454817 +1 0.1902 H( 2166 PRO 129) -1.19072822 +1 41.64490284 +1 19.32029512 +1 0.1673 H( 2167 PRO 129) -2.19330833 +1 42.95543547 +1 18.70080505 +1 0.1716 H( 2168 PRO 129) 0.57915094 +1 43.12442147 +1 18.70055394 +1 0.1586 H( 2169 PRO 129) -0.41930347 +1 43.92753636 +1 17.43802313 +1 0.1573 H( 2170 SER*130) -1.09263624 +1 38.90557856 +1 14.95634737 +1 0.3059 H( 2171 SER*130) -0.46201747 +1 40.62630334 +1 12.54606561 +1 0.2167 H( 2172 SER 130) 0.67822634 +1 38.32539113 +1 12.98311291 +1 0.1539 H( 2173 SER 130) -0.37036072 +1 38.20300244 +1 11.51236762 +1 0.1399 H( 2174 SER 130) -1.64324698 +1 36.85059257 +1 12.70127623 +1 0.3500 H( 2175 MET*131) -3.23187912 +1 38.46493975 +1 13.89306516 +1 0.3332 H( 2176 MET*131) -4.67246831 +1 39.64325228 +1 11.42544277 +1 0.2345 H( 2177 MET 131) -4.64224933 +1 37.19178341 +1 11.65760142 +1 0.1640 H( 2178 MET 131) -5.05305911 +1 37.24140980 +1 13.37486947 +1 0.1272 H( 2179 MET 131) -7.13305722 +1 36.62642325 +1 12.29301219 +1 0.1474 H( 2180 MET 131) -7.36185522 +1 38.32241828 +1 12.74519206 +1 0.2028 H( 2181 MET 131) -4.91745799 +1 36.87889070 +1 9.92739129 +1 0.1751 H( 2182 MET 131) -6.37433984 +1 35.84205452 +1 9.83159421 +1 0.1599 H( 2183 MET 131) -6.00763226 +1 36.98657941 +1 8.52857674 +1 0.1780 H( 2184 ASP*132) -4.85303747 +1 39.56024136 +1 15.07679169 +1 0.2901 H( 2185 ASP*132) -7.30496127 +1 41.25939065 +1 14.94689077 +1 0.2097 H( 2186 ASP 132) -5.71517961 +1 40.36243210 +1 17.46053786 +1 0.2155 H( 2187 ASP 132) -7.35032324 +1 41.08503372 +1 17.30651212 +1 0.2207 H( 2188 ASP 132) -6.63122269 +1 38.37032365 +1 18.40463947 +1 0.4005 H( 2189 VAL*133) -6.42636918 +1 43.15949049 +1 14.05234094 +1 0.3285 H( 2190 VAL*133) -3.92401809 +1 44.18247136 +1 15.37044096 +1 0.1840 H( 2191 VAL 133) -3.77094901 +1 45.67957457 +1 13.45840484 +1 0.1352 H( 2192 VAL 133) -2.86350465 +1 43.27994901 +1 13.45967087 +1 0.1583 H( 2193 VAL 133) -4.30399370 +1 42.73387492 +1 12.58304696 +1 0.1649 H( 2194 VAL 133) -3.18703323 +1 43.86411364 +1 11.83241841 +1 0.1668 H( 2195 VAL 133) -5.20456497 +1 45.51623295 +1 11.45267750 +1 0.1595 H( 2196 VAL 133) -6.28116374 +1 44.36537487 +1 12.22508565 +1 0.1558 H( 2197 VAL 133) -6.19606673 +1 46.02430858 +1 12.83702475 +1 0.1882 H( 2198 ALA*134) -7.18899886 +1 44.79306573 +1 16.24802114 +1 0.3366 H( 2199 ALA*134) -6.88022985 +1 47.75354515 +1 15.81089493 +1 0.1906 H( 2200 ALA 134) -9.06782637 +1 46.08928766 +1 17.27484283 +1 0.1613 H( 2201 ALA 134) -9.09683771 +1 46.51145427 +1 15.55177432 +1 0.1730 H( 2202 ALA 134) -9.16576378 +1 47.79159954 +1 16.78283418 +1 0.1857 H( 2203 VAL*135) -7.12194908 +1 49.18935392 +1 17.56043765 +1 0.3262 H( 2204 VAL*135) -6.34295908 +1 48.14969299 +1 20.30339390 +1 0.1844 H( 2205 VAL 135) -5.99303404 +1 50.91678795 +1 18.98241225 +1 0.1104 H( 2206 VAL 135) -5.19433348 +1 51.53484409 +1 21.36692225 +1 0.1534 H( 2207 VAL 135) -5.88798110 +1 50.02377704 +1 21.96942316 +1 0.1675 H( 2208 VAL 135) -6.93916754 +1 51.27715691 +1 21.28082418 +1 0.1468 H( 2209 VAL 135) -3.64806525 +1 50.62568864 +1 19.65107690 +1 0.1679 H( 2210 VAL 135) -3.98635319 +1 49.13280873 +1 20.54114096 +1 0.1509 H( 2211 VAL 135) -4.08685843 +1 49.15750809 +1 18.78299980 +1 0.1644 H( 2212 GLY*136) -8.03291397 +1 48.09864683 +1 21.70863451 +1 0.3229 H( 2213 GLY*136) -10.15686776 +1 48.53708232 +1 22.54081913 +1 0.2035 H( 2214 GLY*136) -10.38041565 +1 49.87722463 +1 21.35988486 +1 0.2077 H( 2215 GLU*137) -12.53784465 +1 49.03579416 +1 21.06757762 +1 0.3009 H( 2216 GLU*137) -12.97845716 +1 46.33225014 +1 19.86058268 +1 0.1837 H( 2217 GLU 137) -14.90552844 +1 48.27753621 +1 21.36816575 +1 0.1575 H( 2218 GLU 137) -15.22794544 +1 46.59992451 +1 20.87893955 +1 0.1813 H( 2219 GLU 137) -12.85496097 +1 46.87910405 +1 22.72869685 +1 0.1833 H( 2220 GLU 137) -14.34802198 +1 47.52293487 +1 23.39959136 +1 0.1738 H( 2221 GLU 137) -14.58052815 +1 45.77468340 +1 24.76072894 +1 0.3840 H( 2222 GLU 137) -13.90207865 +1 46.54959452 +1 17.82785203 +1 0.3995 H( 2223 O ) -0.70609755 +1 53.86787595 +1 27.36128569 +1 0.3130 H( 2224 C ) 1.29621436 +1 54.89579604 +1 28.60197373 +1 0.0985 H( 2225 C ) -0.08156901 +1 56.00360000 +1 29.02383472 +1 0.1498 H( 2226 C ) 0.53190835 +1 57.15048092 +1 27.13947732 +1 0.1599 H( 2227 C ) -0.40112186 +1 55.92738979 +1 26.33167859 +1 0.1674 H( 2228 C ) 2.48687961 +1 56.52433008 +1 26.14385382 +1 0.1175 H( 2229 C ) 2.29261559 +1 54.83590976 +1 26.57649864 +1 0.1290 H( 2230 C ) 2.20733457 +1 55.79634194 +1 24.01479300 +1 0.1189 H( 2231 C ) 0.49764909 +1 55.91932229 +1 24.36916304 +1 0.1218 H( 2232 C ) 2.13822600 +1 53.32481611 +1 24.59927523 +1 0.1323 H( 2233 C ) 0.41654211 +1 53.45850796 +1 24.90094947 +1 0.1406 H( 2234 C ) 1.78736933 +1 53.02554024 +1 22.40922326 +1 0.1417 H( 2235 C ) 1.10411092 +1 54.63139467 +1 22.26318027 +1 0.1394 H( 2236 C ) -0.78465689 +1 53.60892090 +1 21.52409051 +1 0.1304 H( 2237 C ) -1.12157788 +1 53.23509603 +1 23.21298829 +1 0.1383 H( 2238 C ) 0.46924846 +1 51.13044504 +1 22.83639129 +1 0.1455 H( 2239 C ) 0.25933423 +1 51.45321554 +1 21.11562217 +1 0.1278 H( 2240 C ) -1.76886486 +1 50.43243451 +1 21.07716829 +1 0.1465 H( 2241 C ) -2.41014686 +1 51.49481170 +1 22.33591691 +1 0.1548 H( 2242 C ) -2.22638981 +1 48.79429560 +1 22.81585351 +1 0.1461 H( 2243 C ) -0.36951235 +1 50.72358725 +1 24.39449123 +1 0.1507 H( 2244 C ) -1.40021637 +1 47.96062815 +1 25.25227986 +1 0.1415 H( 2245 C ) -0.16525774 +1 48.20096602 +1 27.19707460 +1 0.1321 H( 2246 C ) 1.46871190 +1 50.44784155 +1 26.14987680 +1 0.1445 H( 2247 C ) 0.15787167 +1 51.04244607 +1 27.14011823 +1 0.1514 H( 2248 C ) 1.75587162 +1 48.69749963 +1 28.21885854 +1 0.1184 H( 2249 C ) 0.89190186 +1 49.96739257 +1 29.09117058 +1 0.1321 H( 2250 C ) 3.64456284 +1 50.32435058 +1 27.76477567 +1 0.1390 H( 2251 C ) 3.32772722 +1 50.01220375 +1 29.47372805 +1 0.1450 H( 2252 C ) 2.79808581 +1 51.53331536 +1 28.72589310 +1 0.1499 H( 2253 HOH 138) -2.00004589 +1 35.30955611 +1 10.58969470 +1 0.3172 H( 2254 HOH 138) -2.97019808 +1 34.87716732 +1 11.71382179 +1 0.3441 H( 2255 HOH 139) -4.63427897 +1 34.66848180 +1 13.42190402 +1 0.3286 H( 2256 HOH 139) -5.14919893 +1 34.01670639 +1 12.12613510 +1 0.3269 H( 2257 HOH 140) -1.62314961 +1 44.46784346 +1 7.60619666 +1 0.3414 H( 2258 HOH 140) -1.95332598 +1 43.72928724 +1 6.29547010 +1 0.3114 H( 2259 HOH 141) -0.50813260 +1 42.71036663 +1 11.28672600 +1 0.3629 H( 2260 HOH 141) -1.66269838 +1 41.81721628 +1 10.67743289 +1 0.3651 H( 2261 HOH 142) 0.64046453 +1 44.05255891 +1 12.73494990 +1 0.3546 H( 2262 HOH 142) 0.72781891 +1 42.63328202 +1 13.34829562 +1 0.3445 H( 2263 HOH 143) 0.18285071 +1 37.72877291 +1 16.54117400 +1 0.3639 H( 2264 HOH 143) -0.80492696 +1 37.05044431 +1 15.54561543 +1 0.3412 H( 2265 HOH 144) 5.16399715 +1 53.64762968 +1 14.56343464 +1 0.3491 H( 2266 HOH 144) 5.02989031 +1 52.70245310 +1 13.31713149 +1 0.3639 H( 2267 HOH 145) 3.64687206 +1 41.18094993 +1 14.86515606 +1 0.3554 H( 2268 HOH 145) 4.49431314 +1 42.18786515 +1 14.00826728 +1 0.3613 H( 2269 HOH 146) 9.43821391 +1 48.18612739 +1 12.44930863 +1 0.3237 H( 2270 HOH 146) 9.35193137 +1 48.91100300 +1 13.82820681 +1 0.3560 H( 2271 HOH 147) 3.56605174 +1 50.32855909 +1 9.45424032 +1 0.3308 H( 2272 HOH 147) 2.84386296 +1 51.41340485 +1 10.28552080 +1 0.3579 H( 2273 HOH 148) 6.35594884 +1 50.95628332 +1 12.01916366 +1 0.3470 H( 2274 HOH 148) 4.85031505 +1 50.92512426 +1 11.62048888 +1 0.3532 H( 2275 HOH 149) 2.90727561 +1 54.06239729 +1 13.10881379 +1 0.3516 H( 2276 HOH 149) 2.58381759 +1 55.53204222 +1 12.66057496 +1 0.3489 H( 2277 HOH 150) 0.35400150 +1 43.30067019 +1 7.75788905 +1 0.3504 H( 2278 HOH 150) -0.53062602 +1 43.13256379 +1 9.06267550 +1 0.3760 H( 2279 HOH 151) 8.17822357 +1 50.11535957 +1 37.55821831 +1 0.3294 H( 2280 HOH 151) 7.21532183 +1 50.13666566 +1 36.36468871 +1 0.3217 H( 2281 HOH 152) -5.55487567 +1 44.70684635 +1 18.94942894 +1 0.3486 H( 2282 HOH 152) -4.63836190 +1 43.77374956 +1 18.10752899 +1 0.3434 H( 2283 HOH 153) 5.83756287 +1 43.32009900 +1 12.43859786 +1 0.3174 H( 2284 HOH 153) 4.67863345 +1 44.29587222 +1 12.85800508 +1 0.3721 H( 2285 HOH 154) -2.97442436 +1 38.15381002 +1 16.37937206 +1 0.3444 H( 2286 HOH 154) -4.25594414 +1 37.35442933 +1 16.10433322 +1 0.3318 H( 2287 HOH 155) -8.95843199 +1 52.05560998 +1 27.64448218 +1 0.3550 H( 2288 HOH 155) -9.89932039 +1 51.36229782 +1 28.68818507 +1 0.3468 H( 2289 HOH 156) 8.78558014 +1 38.82599384 +1 28.76282936 +1 0.3339 H( 2290 HOH 156) 9.61755873 +1 37.90220746 +1 27.86497822 +1 0.3497 H( 2291 HOH 157) 3.88121466 +1 38.59558423 +1 28.70830137 +1 0.3378 H( 2292 HOH 157) 3.86976268 +1 37.35749807 +1 29.62826983 +1 0.3525 H( 2293 HOH 158) -6.37190211 +1 49.67504967 +1 35.07241415 +1 0.3377 H( 2294 HOH 158) -7.09970550 +1 48.33232428 +1 35.38252522 +1 0.3513 H( 2295 HOH 159) 7.55485595 +1 56.96312069 +1 36.95347104 +1 0.3456 H( 2296 HOH 159) 6.21166511 +1 57.72870768 +1 37.20834447 +1 0.3562 H( 2297 HOH 160) 13.22312462 +1 44.32115616 +1 30.33651165 +1 0.3158 H( 2298 HOH 160) 11.72541509 +1 43.95766024 +1 30.34648140 +1 0.3298 H( 2299 HOH 161) -8.84048496 +1 46.20980856 +1 13.25815710 +1 0.3515 H( 2300 HOH 161) -9.58295798 +1 45.73368806 +1 11.99489951 +1 0.3268 H( 2301 HOH 162) 10.06336633 +1 50.54228377 +1 35.88236521 +1 0.3485 H( 2302 HOH 162) 10.33187907 +1 49.78816613 +1 37.22301383 +1 0.3434 H( 2303 HOH 163) 7.69604760 +1 37.45570974 +1 24.80318748 +1 0.3163 H( 2304 HOH 163) 6.74771852 +1 38.05063499 +1 25.87428339 +1 0.3361 H( 2305 HOH 164) 7.22149244 +1 57.98484496 +1 32.16466839 +1 0.3424 H( 2306 HOH 164) 7.88865386 +1 58.32624086 +1 30.78565899 +1 0.3525 H( 2307 HOH 165) -8.75327831 +1 43.26858451 +1 15.91478704 +1 0.3389 H( 2308 HOH 165) -8.97852473 +1 43.64260879 +1 17.43185217 +1 0.3567 H( 2309 HOH 166) -19.46727930 +1 59.99600219 +1 10.28211194 +1 0.3311 H( 2310 HOH 166) -19.21971315 +1 58.47991694 +1 10.17258700 +1 0.3334 H( 2311 HOH 167) 9.37036128 +1 56.91159430 +1 35.52097372 +1 0.3223 H( 2312 HOH 167) 9.77382513 +1 56.02384068 +1 36.70018503 +1 0.3271 H( 2313 HOH 168) -7.37194232 +1 48.31684288 +1 33.03110272 +1 0.3611 H( 2314 HOH 168) -8.41576433 +1 47.17689224 +1 33.06576198 +1 0.3365 H( 2315 HOH 169) -10.46376977 +1 49.84494316 +1 18.47253468 +1 0.3611 H( 2316 HOH 169) -11.75871519 +1 49.13657589 +1 17.97279182 +1 0.3149 H( 2317 HOH 170) 8.35916989 +1 42.76201124 +1 13.33440278 +1 0.3407 H( 2318 HOH 170) 8.48100340 +1 42.88378517 +1 11.80920641 +1 0.3309 H( 2319 HOH 171) 12.27970708 +1 53.96610315 +1 21.96100487 +1 0.3151 H( 2320 HOH 171) 11.24039407 +1 53.91846814 +1 23.10035722 +1 0.3428 H( 2321 HOH 172) -0.16613531 +1 54.38845409 +1 6.03175347 +1 0.3352 H( 2322 HOH 172) -1.21887123 +1 53.26047389 +1 6.05978077 +1 0.3239 H( 2323 HOH 173) 4.85408537 +1 57.39827139 +1 11.73595350 +1 0.3332 H( 2324 HOH 173) 4.59840019 +1 56.64536251 +1 10.42722887 +1 0.3385 H( 2325 HOH 174) -15.77978286 +1 57.92324775 +1 16.10139522 +1 0.3207 H( 2326 HOH 174) -14.97579216 +1 56.68492644 +1 16.60604173 +1 0.3442 H( 2327 HOH 175) 2.16162682 +1 42.09898135 +1 6.97247967 +1 0.3574 H( 2328 HOH 175) 1.48599872 +1 42.55224076 +1 5.65882454 +1 0.3190 H( 2329 HOH 176) -17.21950902 +1 65.47665991 +1 21.25468471 +1 0.3477 H( 2330 HOH 176) -18.66152784 +1 65.98126774 +1 21.24671195 +1 0.3112 H( 2331 HOH 177) -17.35083675 +1 55.84394918 +1 15.99530730 +1 0.3399 H( 2332 HOH 177) -18.58917486 +1 55.94872976 +1 15.07781335 +1 0.3252 H( 2333 HOH 178) 11.85736210 +1 45.88344917 +1 36.82983795 +1 0.3287 H( 2334 HOH 178) 10.63019889 +1 44.94924548 +1 36.71724579 +1 0.3299 H( 2335 HOH 179) 14.53203635 +1 49.09548589 +1 32.78589789 +1 0.3365 H( 2336 HOH 179) 15.88215590 +1 48.97845222 +1 32.04551362 +1 0.3258 H( 2337 HOH 180) 8.80619054 +1 50.47734976 +1 12.33027523 +1 0.3455 H( 2338 HOH 180) 8.45685628 +1 50.33312251 +1 10.83642980 +1 0.3228 H( 2339 HOH 181) -9.11275226 +1 58.71691518 +1 9.75711705 +1 0.3409 H( 2340 HOH 181) -8.74022461 +1 57.67925625 +1 8.64844190 +1 0.3480 H( 2341 HOH 182) 10.84763543 +1 41.41728829 +1 12.63570989 +1 0.3117 H( 2342 HOH 182) 9.46170893 +1 40.93307060 +1 12.17088248 +1 0.3333 H( 2343 HOH 183) 13.71928447 +1 52.89723073 +1 26.61341319 +1 0.3292 H( 2344 HOH 183) 14.32701351 +1 53.66521553 +1 27.79199370 +1 0.3110 H( 2345 HOH 184) -10.63279775 +1 49.97828026 +1 30.71913380 +1 0.3593 H( 2346 HOH 184) -12.04614430 +1 50.53132999 +1 30.38707599 +1 0.3181 H( 2347 HOH 185) -1.84870980 +1 38.37286230 +1 19.05622519 +1 0.3095 H( 2348 HOH 185) -2.71571627 +1 37.11944218 +1 18.85557765 +1 0.3424 H( 2349 HOH 186) -9.07755044 +1 44.03429011 +1 13.46327805 +1 0.3541 H( 2350 HOH 186) -8.74243739 +1 42.50993194 +1 13.45802662 +1 0.3346 H( 2351 HOH 187) -17.57789402 +1 52.37312030 +1 14.26740793 +1 0.3183 H( 2352 HOH 187) -16.96000531 +1 51.26179091 +1 13.40727916 +1 0.3282 H( 2353 HOH 188) 7.21491689 +1 34.48548239 +1 31.67855273 +1 0.3175 H( 2354 HOH 188) 7.32265069 +1 33.61398604 +1 32.93738643 +1 0.3168 H( 2355 HOH 189) -9.22271760 +1 48.46556710 +1 29.63809042 +1 0.3363 H( 2356 HOH 189) -8.66537644 +1 48.25395820 +1 31.08452550 +1 0.3437 H( 2357 HOH 190) -0.93613701 +1 36.17673203 +1 17.49129635 +1 0.3422 H( 2358 HOH 190) -1.47878084 +1 35.10245890 +1 18.47641448 +1 0.3125 H( 2359 HOH 191) -2.22529668 +1 51.30980780 +1 35.64386144 +1 0.3212 H( 2360 HOH 191) -2.51124129 +1 51.09418838 +1 37.13989109 +1 0.3127 H( 2361 HOH 192) -2.76089798 +1 60.10075455 +1 35.17290040 +1 0.3424 H( 2362 HOH 192) -4.23521201 +1 59.67938828 +1 34.87914650 +1 0.3413 H( 2363 HOH 193) 10.66169056 +1 64.55809997 +1 23.08862095 +1 0.3621 H( 2364 HOH 193) 10.34202701 +1 63.91815152 +1 24.45733610 +1 0.3484 H( 2365 HOH 194) -3.09547374 +1 45.54358612 +1 38.67049193 +1 0.3317 H( 2366 HOH 194) -3.23817994 +1 46.27321153 +1 40.01995828 +1 0.3130 H( 2367 HOH 195) 10.15919332 +1 40.49267741 +1 26.64973877 +1 0.3446 H( 2368 HOH 195) 9.12403790 +1 39.50102929 +1 26.04079282 +1 0.3449 H( 2369 HOH 196) -8.75556938 +1 47.82958653 +1 8.73426894 +1 0.3383 H( 2370 HOH 196) -8.69239105 +1 46.34446250 +1 9.09630562 +1 0.3088 H( 2371 HOH 197) 1.31207316 +1 40.08933335 +1 33.86780667 +1 0.3191 H( 2372 HOH 197) 0.06463500 +1 39.49041280 +1 34.54448941 +1 0.3359 H( 2373 HOH 198) -11.34255955 +1 46.59676882 +1 17.71585752 +1 0.3490 H( 2374 HOH 198) -11.84849528 +1 46.58043000 +1 16.25168139 +1 0.3339 H( 2375 HOH 199) 3.45860343 +1 34.75848577 +1 26.19549215 +1 0.3312 H( 2376 HOH 199) 2.48012559 +1 35.92762924 +1 25.93415225 +1 0.3194 H( 2377 HOH 200) 1.37461227 +1 57.56689724 +1 12.60054610 +1 0.3376 H( 2378 HOH 200) 2.63670889 +1 57.72067389 +1 11.69018621 +1 0.3518 H( 2379 HOH 201) 6.73619828 +1 54.74950509 +1 11.17736211 +1 0.3211 H( 2380 HOH 201) 5.67861643 +1 54.64989594 +1 12.30276844 +1 0.3499 H( 2381 HOH 202) 4.45483773 +1 48.27921010 +1 10.98569666 +1 0.3325 H( 2382 HOH 202) 5.07593174 +1 48.39921408 +1 9.58722272 +1 0.3412 H( 2383 HOH 203) 10.69958024 +1 50.30129630 +1 40.06967290 +1 0.3233 H( 2384 HOH 203) 10.22560113 +1 48.84799620 +1 39.93773628 +1 0.3216 H( 2385 HOH 204) 5.43162524 +1 36.69751313 +1 19.42294592 +1 0.3525 H( 2386 HOH 204) 4.27538472 +1 35.66888478 +1 19.55518885 +1 0.3334 H( 2387 HOH 205) 10.05553990 +1 62.26186630 +1 28.53195799 +1 0.3224 H( 2388 HOH 205) 9.07319026 +1 63.37130027 +1 28.11913054 +1 0.3205 H( 2389 HOH 206) 7.15351294 +1 59.83390331 +1 36.87531909 +1 0.3186 H( 2390 HOH 206) 6.20077048 +1 59.44006012 +1 35.73087232 +1 0.3303 H( 2391 HOH 207) 6.75286935 +1 46.74237125 +1 10.60489651 +1 0.3440 H( 2392 HOH 207) 6.77908314 +1 45.40215032 +1 9.86290603 +1 0.3093 H( 2393 HOH 208) -1.58636125 +1 44.63026925 +1 37.10901365 +1 0.3445 H( 2394 HOH 208) -1.82395395 +1 43.79338995 +1 38.39740701 +1 0.3235 H( 2395 HOH 209) 10.77755770 +1 38.28772381 +1 21.40193514 +1 0.3270 H( 2396 HOH 209) 9.48876044 +1 37.48501847 +1 21.16380708 +1 0.3278 H( 2397 HOH 210) -6.26078982 +1 58.65334978 +1 6.52328464 +1 0.3087 H( 2398 HOH 210) -7.58980865 +1 57.89307391 +1 6.42500511 +1 0.3277 H( 2399 HOH 211) -10.43730301 +1 53.71581730 +1 30.38485763 +1 0.3165 H( 2400 HOH 211) -10.85977351 +1 52.51960297 +1 31.24526566 +1 0.3301 H( 2401 HOH 212) 6.98960945 +1 37.29766244 +1 27.96360996 +1 0.3423 H( 2402 HOH 212) 5.43230701 +1 37.25453346 +1 27.86115599 +1 0.3552 H( 2403 HOH 213) -7.18516318 +1 36.24077553 +1 20.54736536 +1 0.3269 H( 2404 HOH 213) -7.86480351 +1 36.21487051 +1 19.16387260 +1 0.3236 H( 2405 HOH 214) 8.23533046 +1 58.38204175 +1 15.69936623 +1 0.3287 H( 2406 HOH 214) 6.75886248 +1 58.59100454 +1 16.10694124 +1 0.3346 H( 2407 HOH 215) 12.45992159 +1 46.74127057 +1 20.40271172 +1 0.3165 H( 2408 HOH 215) 11.50553954 +1 47.30731936 +1 19.33398737 +1 0.3314 H( 2409 HOH 216) 3.31580699 +1 49.18719273 +1 39.44481372 +1 0.3312 H( 2410 HOH 216) 4.64739220 +1 48.53952810 +1 39.87023879 +1 0.3136 H( 2411 HOH 217) 11.64291231 +1 67.47352075 +1 25.58408791 +1 0.3241 H( 2412 HOH 217) 10.68513136 +1 68.59016970 +1 25.98014319 +1 0.3180 H( 2413 HOH 218) 10.14398052 +1 61.47578181 +1 30.07451034 +1 0.3385 H( 2414 HOH 218) 9.44153393 +1 60.10755405 +1 29.97752235 +1 0.3362 H( 2415 HOH 219) 5.38740571 +1 64.40998813 +1 28.57988143 +1 0.3246 H( 2416 HOH 219) 4.82055482 +1 65.57479039 +1 29.42338331 +1 0.3378 H( 2417 HOH 220) -11.52899681 +1 57.15882042 +1 10.09276258 +1 0.3336 H( 2418 HOH 220) -12.67972433 +1 57.06194230 +1 11.13639326 +1 0.3500 H( 2419 HOH 221) -7.24443066 +1 41.84477309 +1 30.11513728 +1 0.3291 H( 2420 HOH 221) -6.97104352 +1 41.18935788 +1 31.46588553 +1 0.3261 H( 2421 HOH 222) 6.21923149 +1 35.38813739 +1 26.70507573 +1 0.3378 H( 2422 HOH 222) 5.94789648 +1 33.91393041 +1 26.30648387 +1 0.3178 H( 2423 HOH 223) -9.70145882 +1 59.42779422 +1 6.66672494 +1 0.3223 H( 2424 HOH 223) -10.65936722 +1 59.16104767 +1 7.82450392 +1 0.3216 H( 2425 HOH 224) 11.26888268 +1 53.62660790 +1 17.99125683 +1 0.3194 H( 2426 HOH 224) 11.25926669 +1 52.64372807 +1 16.82574350 +1 0.3356 H( 2427 HOH 225) 9.88613514 +1 66.26218710 +1 24.36616237 +1 0.3612 H( 2428 HOH 225) 9.31039635 +1 66.20720381 +1 25.79883625 +1 0.3257 H( 2429 HOH 226) -4.09923431 +1 38.21400348 +1 23.80798136 +1 0.3313 H( 2430 HOH 226) -5.38806353 +1 37.66112515 +1 24.44998522 +1 0.3418 H( 2431 HOH 227) 2.96864658 +1 35.33531563 +1 16.77404174 +1 0.3266 H( 2432 HOH 227) 3.97942557 +1 34.19182997 +1 16.59844635 +1 0.3243 H( 2433 HOH 228) 11.93360204 +1 41.82311941 +1 27.33336229 +1 0.3381 H( 2434 HOH 228) 10.64275697 +1 42.39162423 +1 27.96608250 +1 0.3352 H( 2435 HOH 229) 8.00867747 +1 67.97793008 +1 24.73760914 +1 0.3468 H( 2436 HOH 229) 6.64733600 +1 68.68885047 +1 25.00895280 +1 0.3307 H( 2437 HOH 230) 15.19902738 +1 64.09632079 +1 23.61148202 +1 0.3190 H( 2438 HOH 230) 13.78429289 +1 64.45604654 +1 24.00433139 +1 0.3236 H( 2439 HOH 231) 9.02250656 +1 60.06521962 +1 18.54775707 +1 0.3211 H( 2440 HOH 231) 8.35344935 +1 59.92688253 +1 17.16106808 +1 0.3394 H( 2441 HOH 232) -8.70636770 +1 43.50376384 +1 19.36070723 +1 0.3673 H( 2442 HOH 232) -9.80721209 +1 44.61411036 +1 19.50863243 +1 0.3156 H( 2443 HOH 233) -11.78830625 +1 51.57923818 +1 15.33417079 +1 0.3147 H( 2444 HOH 233) -11.79639016 +1 51.40068385 +1 16.86253511 +1 0.3431 H( 2445 HOH 234) -6.29090046 +1 49.34442214 +1 6.88784234 +1 0.3292 H( 2446 HOH 234) -5.35102837 +1 49.02872346 +1 5.74505400 +1 0.3242 H( 2447 HOH 235) 7.06630454 +1 38.20719179 +1 18.39208454 +1 0.3446 H( 2448 HOH 235) 7.33338233 +1 36.92195415 +1 17.60552050 +1 0.3334