SUMMARY OF PM6 CALCULATION, Site No: 13048 MOPAC2012 (Version: 12.112M) Wed May 2 11:46:20 2012 No. of days left = 355 Empirical Formula: C856 H1883 N218 O590 S2 P = 3550 atoms CUTOFF=10 T=5D SETUP LET NOOPT OPT-H RESTART GNORM=10 PM6 LET XYZ PDBOUT PL MOZYME NOOPT OPT-H Flavodoxin_(1RCF) HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -30377.44597 KCAL/MOL = -127099.23394 KJ/MOL TOTAL ENERGY = -342330.69640 EV ELECTRONIC ENERGY = -41884324.87858 EV CORE-CORE REPULSION = 41541994.18218 EV GRADIENT NORM = 9.14406 DIPOLE = 268.21609 DEBYE NO. OF FILLED LEVELS = 4977 MOLECULAR WEIGHT = 24767.492 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 3548 H 3468 55.79779 H 3220 H 3501 49.24608 H 3466 H 3491 40.01008 SCF CALCULATIONS = 35 COMPUTATION TIME = 3 HOURS 54 MINUTES AND 39.397 SECONDS FINAL GEOMETRY OBTAINED CHARGE *HEADER ELECTRON TRANSFER(FLAVOPROTEIN) 31-OCT-94 1RCF *TITLE STRUCTURE OF THE TRIGONAL FORM OF RECOMBINANT OXIDIZED *TITLE 2 FLAVODOXIN FROM ANABAENA 7120 AT 1.40 ANGSTROMS RESOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: FLAVODOXIN; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA SP.; *SOURCE 3 STRAIN: PCC 7120; *SOURCE 4 EXPRESSION_SYSTEM_PLASMID: PGEM-AVF AND PGPI-2 *KEYWDS ELECTRON TRANSFER(FLAVOPROTEIN) *EXPDTA X-RAY DIFFRACTION *AUTHOR B.BURKHART,B.RAMAKRISHNAN,H.YAN,R.REEDSTROM,J.MARKLEY, *AUTHOR 2 N.STRAUS,M.SUNDARALINGAM *REVDAT 1 26-JAN-95 1RCF 0 *JRNL AUTH B.M.BURKHART,B.RAMAKRISHNAN,H.YAN,R.J.REEDSTROM, *JRNL AUTH 2 J.L.MARKLEY,N.A.STRAUS,M.SUNDARALINGAM *JRNL TITL STRUCTURE OF THE TRIGONAL FORM OF RECOMBINANT *JRNL TITL 2 OXIDIZED FLAVODOXIN FROM ANABAENA 7120 AT 1.40 A *JRNL TITL 3 RESOLUTION. *JRNL REF ACTA CRYSTALLOGR.,SECT.D V. 51 318 1995 *JRNL REFN ASTM ABCRE6 DK ISSN 0907-4449 *REMARK 1 *REMARK 1 REFERENCE 1 *REMARK 1 AUTH S.RAO,F.SHAFFIE,C.YU,K.SATYSHUR,B.STOCKMAN, *REMARK 1 AUTH 2 J.MARKLEY,M.SUNDARALINGAM *REMARK 1 TITL STRUCTURE OF THE OXIDIZED LONG-CHAIN FLAVODOXIN *REMARK 1 TITL 2 FROM ANABAENA 7120 AT 2 ANGSTROMS RESOLUTION *REMARK 1 REF PROTEIN SCI. V. 1 1413 1992 *REMARK 1 REFN ASTM PRCIEI US ISSN 0961-8368 *REMARK 2 *REMARK 2 RESOLUTION. 1.40 ANGSTROMS. *REMARK 3 *REMARK 3 REFINEMENT. *REMARK 3 PROGRAM : SHELXL-97, X-PLOR *REMARK 3 AUTHORS : G.M.SHELDRICK *REMARK 3 *REMARK 3 DATA USED IN REFINEMENT. *REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.40 *REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL *REMARK 3 DATA CUTOFF (SIGMA(F)) : 2.000 *REMARK 3 COMPLETENESS FOR RANGE (%) : 90.0 *REMARK 3 CROSS-VALIDATION METHOD : NULL *REMARK 3 FREE R VALUE TEST SET SELECTION : NULL *REMARK 3 *REMARK 3 FIT TO DATA USED IN REFINEMENT (NO CUTOFF). *REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL *REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.139 *REMARK 3 FREE R VALUE (NO CUTOFF) : NULL *REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL *REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL *REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL *REMARK 3 *REMARK 3 FIT/AGREEMENT OF MODEL FOR DATA WITH F>4SIG(F). *REMARK 3 R VALUE (WORKING + TEST SET, F>4SIG(F)) : NULL *REMARK 3 R VALUE (WORKING SET, F>4SIG(F)) : NULL *REMARK 3 FREE R VALUE (F>4SIG(F)) : NULL *REMARK 3 FREE R VALUE TEST SET SIZE (%, F>4SIG(F)) : NULL *REMARK 3 FREE R VALUE TEST SET COUNT (F>4SIG(F)) : NULL *REMARK 3 TOTAL NUMBER OF REFLECTIONS (F>4SIG(F)) : NULL *REMARK 3 *REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. *REMARK 3 PROTEIN ATOMS : 2718 *REMARK 3 NUCLEIC ACID ATOMS : 0 *REMARK 3 HETEROGEN ATOMS : 55 *REMARK 3 SOLVENT ATOMS : 299 *REMARK 3 *REMARK 3 MODEL REFINEMENT. *REMARK 3 OCCUPANCY SUM OF NON-HYDROGEN ATOMS : NULL *REMARK 3 OCCUPANCY SUM OF HYDROGEN ATOMS : NULL *REMARK 3 NUMBER OF DISCRETELY DISORDERED RESIDUES : NULL *REMARK 3 NUMBER OF LEAST-SQUARES PARAMETERS : NULL *REMARK 3 NUMBER OF RESTRAINTS : NULL *REMARK 3 *REMARK 3 RMS DEVIATIONS FROM RESTRAINT TARGET VALUES. *REMARK 3 BOND LENGTHS (A) : 0.015 *REMARK 3 ANGLE DISTANCES (A) : NULL *REMARK 3 SIMILAR DISTANCES (NO TARGET VALUES) (A) : NULL *REMARK 3 DISTANCES FROM RESTRAINT PLANES (A) : NULL *REMARK 3 ZERO CHIRAL VOLUMES (A**3) : NULL *REMARK 3 NON-ZERO CHIRAL VOLUMES (A**3) : NULL *REMARK 3 ANTI-BUMPING DISTANCE RESTRAINTS (A) : NULL *REMARK 3 RIGID-BOND ADP COMPONENTS (A**2) : NULL *REMARK 3 SIMILAR ADP COMPONENTS (A**2) : NULL *REMARK 3 APPROXIMATELY ISOTROPIC ADPS (A**2) : NULL *REMARK 3 *REMARK 3 BULK SOLVENT MODELING. *REMARK 3 METHOD USED: NULL *REMARK 3 *REMARK 3 STEREOCHEMISTRY TARGET VALUES : NULL *REMARK 3 SPECIAL CASE: NULL *REMARK 3 *REMARK 3 OTHER REFINEMENT REMARKS: NULL *REMARK 4 *REMARK 4 1RCF COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 *REMARK 4 *REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. *REMARK 4 REMEDIATED DATA FILE REVISION 3.100 (2007-03-17) *REMARK 200 *REMARK 200 EXPERIMENTAL DETAILS *REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION *REMARK 200 DATE OF DATA COLLECTION : NULL *REMARK 200 TEMPERATURE (KELVIN) : NULL *REMARK 200 PH : NULL *REMARK 200 NUMBER OF CRYSTALS USED : NULL *REMARK 200 *REMARK 200 SYNCHROTRON (Y/N) : NULL *REMARK 200 RADIATION SOURCE : NULL *REMARK 200 BEAMLINE : NULL *REMARK 200 X-RAY GENERATOR MODEL : NULL *REMARK 200 MONOCHROMATIC OR LAUE (M/L) : NULL *REMARK 200 WAVELENGTH OR RANGE (A) : NULL *REMARK 200 MONOCHROMATOR : NULL *REMARK 200 OPTICS : NULL *REMARK 200 *REMARK 200 DETECTOR TYPE : NULL *REMARK 200 DETECTOR MANUFACTURER : NULL *REMARK 200 INTENSITY-INTEGRATION SOFTWARE : NULL *REMARK 200 DATA SCALING SOFTWARE : NULL *REMARK 200 *REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 36069 *REMARK 200 RESOLUTION RANGE HIGH (A) : NULL *REMARK 200 RESOLUTION RANGE LOW (A) : NULL *REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL *REMARK 200 *REMARK 200 OVERALL. *REMARK 200 COMPLETENESS FOR RANGE (%) : 99.1 *REMARK 200 DATA REDUNDANCY : NULL *REMARK 200 R MERGE (I) : NULL *REMARK 200 R SYM (I) : NULL *REMARK 200 FOR THE DATA SET : NULL *REMARK 200 *REMARK 200 IN THE HIGHEST RESOLUTION SHELL. *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL *REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL *REMARK 200 COMPLETENESS FOR SHELL (%) : NULL *REMARK 200 DATA REDUNDANCY IN SHELL : NULL *REMARK 200 R MERGE FOR SHELL (I) : NULL *REMARK 200 R SYM FOR SHELL (I) : NULL *REMARK 200 FOR SHELL : NULL *REMARK 200 *REMARK 200 DIFFRACTION PROTOCOL: NULL *REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL *REMARK 200 SOFTWARE USED: SHELXL-97, X-PLOR *REMARK 200 STARTING MODEL: NULL *REMARK 200 *REMARK 200 REMARK: NULL *REMARK 280 *REMARK 280 CRYSTAL *REMARK 280 SOLVENT CONTENT, VS (%): 48.91 *REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.41 *REMARK 280 *REMARK 280 CRYSTALLIZATION CONDITIONS: NULL *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY *REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 31 2 1 *REMARK 290 *REMARK 290 SYMOP SYMMETRY *REMARK 290 NNNMMM OPERATOR *REMARK 290 1555 X,Y,Z *REMARK 290 2555 -Y,X-Y,1/3+Z *REMARK 290 3555 -X+Y,-X,2/3+Z *REMARK 290 4555 Y,X,-Z *REMARK 290 5555 X-Y,-Y,2/3-Z *REMARK 290 6555 -X,-X+Y,1/3-Z *REMARK 290 *REMARK 290 WHERE NNN -> OPERATOR NUMBER *REMARK 290 MMM -> TRANSLATION VECTOR *REMARK 290 *REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS *REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM *REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY *REMARK 290 RELATED MOLECULES. *REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 *REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 *REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 *REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 34.19667 *REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 *REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 *REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 68.39333 *REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 *REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 *REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 *REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 *REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 *REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 68.39333 *REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 *REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 *REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 34.19667 *REMARK 290 *REMARK 290 REMARK: NULL *REMARK 300 *REMARK 300 BIOMOLECULE: 1 *REMARK 300 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT *REMARK 300 WHICH CONSISTS OF 1 CHAIN(S). SEE REMARK 350 FOR *REMARK 300 INFORMATION ON GENERATING THE BIOLOGICAL MOLECULE(S). *REMARK 350 *REMARK 350 GENERATING THE BIOMOLECULE *REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN *REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE *REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS *REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND *REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. *REMARK 350 *REMARK 350 BIOMOLECULE: 1 *REMARK 350 APPLY THE FOLLOWING TO CHAINS: A *REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 *REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 *REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 *REMARK 375 *REMARK 375 SPECIAL POSITION *REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS *REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL *REMARK 375 POSITIONS. *REMARK 375 *REMARK 375 ATOM RES CSSEQI *REMARK 375 HOH 406 LIES ON A SPECIAL POSITION. *REMARK 375 HOH 437 LIES ON A SPECIAL POSITION. *REMARK 375 HOH 438 LIES ON A SPECIAL POSITION. *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT *REMARK 500 *REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. *REMARK 500 *REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI *REMARK 500 O HOH 251 O HOH 462 1.02 *REMARK 500 O HOH 231 O HOH 491 1.56 *REMARK 500 O HOH 440 O HOH 466 1.60 *REMARK 500 O HOH 337 O HOH 464 1.77 *REMARK 500 O HOH 454 O HOH 458 1.81 *REMARK 500 O HOH 220 O HOH 462 2.07 *REMARK 500 OE2 GLU A 16 OE2 GLU A 20 2.10 *REMARK 500 O HOH 455 O HOH 472 2.11 *REMARK 500 O HOH 231 O HOH 441 2.17 *REMARK 500 O HOH 455 O HOH 467 2.17 *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: CLOSE CONTACTS *REMARK 500 *REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC *REMARK 500 SYMMETRY ARE IN CLOSE CONTACT. AN ATOM LOCATED WITHIN 0.15 *REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A *REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375 *REMARK 500 INSTEAD OF REMARK 500. ATOMS WITH NON-BLANK ALTERNATE *REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS. *REMARK 500 *REMARK 500 DISTANCE CUTOFF: *REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS *REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS *REMARK 500 *REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI SSYMOP DISTANCE *REMARK 500 O HOH 335 O HOH 427 4656 2.05 *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS *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,2(A3,1X,A1,I4,A1,1X,A4,3X),F6.3) *REMARK 500 *REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 *REMARK 500 *REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION *REMARK 500 SER A 71 CA SER A 71 CB 0.167 *REMARK 500 *REMARK 500 GEOMETRY AND STEREOCHEMISTRY *REMARK 500 SUBTOPIC: COVALENT BOND ANGLES *REMARK 500 *REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES *REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE *REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN *REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). *REMARK 500 *REMARK 500 STANDARD TABLE: *REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) *REMARK 500 *REMARK 500 EXPECTED VALUES: ENGH AND HUBER, 1991 *REMARK 500 *REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 *REMARK 500 ARG A 23 CD - NE - CZ ANGL. DEV. = 39.8 DEGREES *REMARK 500 LEU A 33 N - CA - CB ANGL. DEV. = 17.3 DEGREES *REMARK 500 ASN A 58 CB - CA - C ANGL. DEV. = 17.9 DEGREES *REMARK 525 *REMARK 525 SOLVENT *REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED *REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE *REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL *REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE *REMARK 525 NUMBER; I=INSERTION CODE): *REMARK 525 *REMARK 525 M RES CSSEQI *REMARK 525 HOH 231 DISTANCE = 7.21 ANGSTROMS *REMARK 525 HOH 327 DISTANCE = 5.25 ANGSTROMS *REMARK 525 HOH 351 DISTANCE = 6.33 ANGSTROMS *REMARK 525 HOH 404 DISTANCE = 6.18 ANGSTROMS *REMARK 525 HOH 442 DISTANCE = 6.77 ANGSTROMS *REMARK 525 HOH 449 DISTANCE = 8.17 ANGSTROMS *REMARK 525 HOH 454 DISTANCE = 9.97 ANGSTROMS *REMARK 525 HOH 456 DISTANCE = 6.97 ANGSTROMS *REMARK 525 HOH 458 DISTANCE = 11.08 ANGSTROMS *REMARK 525 HOH 459 DISTANCE = 10.48 ANGSTROMS *REMARK 525 HOH 460 DISTANCE = 6.59 ANGSTROMS *REMARK 525 HOH 465 DISTANCE = 6.51 ANGSTROMS *REMARK 525 HOH 467 DISTANCE = 6.75 ANGSTROMS *REMARK 525 HOH 468 DISTANCE = 6.51 ANGSTROMS *REMARK 525 HOH 473 DISTANCE = 6.75 ANGSTROMS *REMARK 525 HOH 475 DISTANCE = 6.69 ANGSTROMS *REMARK 525 HOH 477 DISTANCE = 7.31 ANGSTROMS *REMARK 525 HOH 481 DISTANCE = 6.95 ANGSTROMS *REMARK 525 HOH 482 DISTANCE = 7.77 ANGSTROMS *REMARK 525 HOH 484 DISTANCE = 7.26 ANGSTROMS *REMARK 525 HOH 486 DISTANCE = 9.21 ANGSTROMS *REMARK 525 HOH 487 DISTANCE = 8.51 ANGSTROMS *REMARK 525 HOH 490 DISTANCE = 12.78 ANGSTROMS *REMARK 525 HOH 493 DISTANCE = 10.37 ANGSTROMS *REMARK 525 HOH 496 DISTANCE = 9.18 ANGSTROMS *REMARK 525 HOH 499 DISTANCE = 9.57 ANGSTROMS *DBREF 1RCF A 1 169 UNP P0A3D9 FLAV_ANASP 1 169 *SEQRES 1 A 169 SER LYS LYS ILE GLY LEU PHE TYR GLY THR GLN THR GLY *SEQRES 2 A 169 LYS THR GLU SER VAL ALA GLU ILE ILE ARG ASP GLU PHE *SEQRES 3 A 169 GLY ASN ASP VAL VAL THR LEU HIS ASP VAL SER GLN ALA *SEQRES 4 A 169 GLU VAL THR ASP LEU ASN ASP TYR GLN TYR LEU ILE ILE *SEQRES 5 A 169 GLY CYS PRO THR TRP ASN ILE GLY GLU LEU GLN SER ASP *SEQRES 6 A 169 TRP GLU GLY LEU TYR SER GLU LEU ASP ASP VAL ASP PHE *SEQRES 7 A 169 ASN GLY LYS LEU VAL ALA TYR PHE GLY THR GLY ASP GLN *SEQRES 8 A 169 ILE GLY TYR ALA ASP ASN PHE GLN ASP ALA ILE GLY ILE *SEQRES 9 A 169 LEU GLU GLU LYS ILE SER GLN ARG GLY GLY LYS THR VAL *SEQRES 10 A 169 GLY TYR TRP SER THR ASP GLY TYR ASP PHE ASN ASP SER *SEQRES 11 A 169 LYS ALA LEU ARG ASN GLY LYS PHE VAL GLY LEU ALA LEU *SEQRES 12 A 169 ASP GLU ASP ASN GLN SER ASP LEU THR ASP ASP ARG ILE *SEQRES 13 A 169 LYS SER TRP VAL ALA GLN LEU LYS SER GLU PHE GLY LEU *HET SO4 180 5 *HET FMN 170 50 *HETNAM SO4 SULFATE ION *HETNAM FMN FLAVIN MONONUCLEOTIDE *HETSYN FMN RIBOFLAVIN MONOPHOSPHATE *FORMUL 2 SO4 O4 S 2- *FORMUL 3 FMN C17 H21 N4 O9 P *FORMUL 4 HOH *299(H2 O) *HELIX 1 1 GLY A 13 PHE A 26 1 14 *HELIX 2 2 GLU A 40 TYR A 47 5 8 *HELIX 3 3 GLN A 63 SER A 71 1 9 *HELIX 4 4 GLU A 72 VAL A 76 5 5 *HELIX 5 5 GLN A 99 ARG A 112 1 14 *HELIX 6 6 GLN A 148 ASP A 150 5 3 *HELIX 7 7 LEU A 151 PHE A 167 1 17 *SHEET 1 A 5 VAL A 31 ASP A 35 0 *SHEET 2 A 5 ILE A 4 TYR A 8 1 O ILE A 4 N THR A 32 *SHEET 3 A 5 TYR A 49 GLY A 53 1 O TYR A 49 N GLY A 5 *SHEET 4 A 5 LEU A 82 THR A 88 1 O LEU A 82 N LEU A 50 *SHEET 5 A 5 LYS A 115 THR A 116 1 O LYS A 115 N VAL A 83 *SHEET 1 B 5 VAL A 31 ASP A 35 0 *SHEET 2 B 5 ILE A 4 TYR A 8 1 O ILE A 4 N THR A 32 *SHEET 3 B 5 TYR A 49 GLY A 53 1 O TYR A 49 N GLY A 5 *SHEET 4 B 5 LEU A 82 THR A 88 1 O LEU A 82 N LEU A 50 *SHEET 5 B 5 LEU A 141 LEU A 143 1 O LEU A 141 N GLY A 87 *SHEET 1 C 2 THR A 56 TRP A 57 0 *SHEET 2 C 2 GLU A 61 LEU A 62 -1 N GLU A 61 O TRP A 57 *SHEET 1 D 3 TRP A 120 SER A 121 0 *SHEET 2 D 3 LYS A 137 PHE A 138 -1 N PHE A 138 O TRP A 120 *SHEET 3 D 3 LEU A 133 ARG A 134 -1 N ARG A 134 O LYS A 137 *CRYST1 55.360 55.360 102.590 90.00 90.00 120.00 P 31 2 1 6 *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 0.018064 0.010429 0.000000 0.00000 *SCALE2 0.000000 0.020858 0.000000 0.00000 *SCALE3 0.000000 0.000000 0.009748 0.00000 CUTOFF=10 T=5D SETUP LET NOOPT OPT-H RESTART GNORM=10 PM6 LET XYZ PDBOUT PL MOZYME NOOPT OPT-H Flavodoxin_(1RCF) N( 1 SER* 1) 32.84199900 +0 -0.72800000 +0 71.48500100 +0 -0.5425 C( 2 SER* 1) 31.68100000 +0 -0.66100000 +0 70.59700000 +0 -0.1025 C( 3 SER* 1) 30.78400000 +0 -1.86600000 +0 70.81700100 +0 0.5232 O( 4 SER* 1) 31.26400000 +0 -2.97500000 +0 71.08799700 +0 -0.6604 C( 5 SER 1) 32.16400100 +0 -0.63000000 +0 69.13999900 +0 -0.0167 O( 6 SER 1) 31.10899900 +0 -0.66800000 +0 68.22399900 +0 -0.6078 H( 7 SER* 1) 31.12923461 +1 0.30255147 +1 70.81657908 +1 0.1817 H( 8 SER 1) 32.74986309 +1 0.30536183 +1 68.98102732 +1 0.1371 H( 9 SER 1) 32.83927109 +1 -1.49941167 +1 68.94600422 +1 0.1519 H( 10 SER 1) 31.48190509 +1 -0.68783695 +1 67.28902737 +1 0.3570 H( 11 SER* 1) 32.56416128 +1 -0.91003983 +1 72.45210666 +1 0.2422 H( 12 SER* 1) 33.47989511 +1 -1.49373703 +1 71.21505427 +1 0.2675 N( 13 LYS* 2) 29.49500100 +0 -1.66100000 +0 70.72000100 +0 -0.4167 C( 14 LYS* 2) 28.50300000 +0 -2.67600000 +0 70.75499700 +0 -0.1028 C( 15 LYS* 2) 27.81500100 +0 -2.86200000 +0 69.40599800 +0 0.5461 O( 16 LYS* 2) 26.83000000 +0 -3.61400000 +0 69.32599600 +0 -0.6274 C( 17 LYS 2) 27.50000000 +0 -2.51500000 +0 71.89399700 +0 -0.2721 C( 18 LYS 2) 28.17900100 +0 -2.81600000 +0 73.24900100 +0 -0.2325 C( 19 LYS 2) 27.24900100 +0 -2.60300000 +0 74.43900300 +0 -0.2986 C( 20 LYS 2) 27.98399900 +0 -3.02900000 +0 75.73600000 +0 -0.1083 N( 21 LYS 2) 26.97800100 +0 -3.28000000 +0 76.82499700 +0 -0.5881 H( 22 LYS* 2) 29.11785861 +1 -0.68336342 +1 70.60213018 +1 0.3222 H( 23 LYS* 2) 29.02033547 +1 -3.69276685 +1 70.93346948 +1 0.2088 H( 24 LYS 2) 27.06015235 +1 -1.49980736 +1 71.90340300 +1 0.1441 H( 25 LYS 2) 26.64135851 +1 -3.20243772 +1 71.73076273 +1 0.1699 H( 26 LYS 2) 28.54930061 +1 -3.86226236 +1 73.24522994 +1 0.1296 H( 27 LYS 2) 29.07605262 +1 -2.17569283 +1 73.36541776 +1 0.1314 H( 28 LYS 2) 26.91965615 +1 -1.55268613 +1 74.52244185 +1 0.1417 H( 29 LYS 2) 26.31700598 +1 -3.19064622 +1 74.33210465 +1 0.1494 H( 30 LYS 2) 28.59543632 +1 -3.93711001 +1 75.54495233 +1 0.1135 H( 31 LYS 2) 28.68141995 +1 -2.22536819 +1 76.04672053 +1 0.1199 H( 32 LYS 2) 26.80108282 +1 -4.28759978 +1 76.90570706 +1 0.2390 H( 33 LYS 2) 27.34194493 +1 -2.95148408 +1 77.72166423 +1 0.2416 N( 34 LYS* 3) 28.33900100 +0 -2.21400000 +0 68.38700100 +0 -0.4203 C( 35 LYS* 3) 27.82900000 +0 -2.48600000 +0 67.04000100 +0 -0.0599 C( 36 LYS* 3) 28.40000000 +0 -3.85900000 +0 66.60299700 +0 0.5433 O( 37 LYS* 3) 29.52400000 +0 -4.19800000 +0 66.94599900 +0 -0.6387 C( 38 LYS 3) 28.33000000 +0 -1.44700000 +0 66.03900100 +0 -0.3077 C( 39 LYS 3) 27.79200000 +0 -0.03700000 +0 66.35700200 +0 -0.2434 C( 40 LYS 3) 28.16700000 +0 0.90300000 +0 65.23799900 +0 -0.3002 C( 41 LYS 3) 27.81600000 +0 2.35100000 +0 65.64499700 +0 -0.1442 N( 42 LYS 3) 28.31800100 +0 3.27400000 +0 64.54699700 +0 -0.5465 H( 43 LYS* 3) 29.23112529 +1 -1.68122691 +1 68.41813793 +1 0.3238 H( 44 LYS* 3) 26.69894376 +1 -2.50458493 +1 67.06424955 +1 0.1912 H( 45 LYS 3) 29.43986944 +1 -1.43002195 +1 66.02018142 +1 0.1516 H( 46 LYS 3) 28.01175540 +1 -1.74478113 +1 65.01683247 +1 0.1608 H( 47 LYS 3) 26.69129591 +1 -0.06924829 +1 66.49537169 +1 0.1515 H( 48 LYS 3) 28.20451485 +1 0.31310100 +1 67.32704692 +1 0.1489 H( 49 LYS 3) 29.25164921 +1 0.83097418 +1 65.01893608 +1 0.1263 H( 50 LYS 3) 27.63741930 +1 0.62901840 +1 64.30511063 +1 0.1273 H( 51 LYS 3) 26.72073535 +1 2.50597009 +1 65.74968772 +1 0.1614 H( 52 LYS 3) 28.28722181 +1 2.64205163 +1 66.60814579 +1 0.1601 H( 53 LYS 3) 29.32855773 +1 3.36547269 +1 64.62188229 +1 0.2126 H( 54 LYS 3) 28.12894803 +1 2.85957953 +1 63.63969504 +1 0.1994 N( 55 ILE* 4) 27.63299900 +0 -4.54500000 +0 65.79299900 +0 -0.4053 C( 56 ILE* 4) 28.07500100 +0 -5.83800000 +0 65.26200100 +0 -0.1073 C( 57 ILE* 4) 28.67200100 +0 -5.62400000 +0 63.88399900 +0 0.5579 O( 58 ILE* 4) 28.04299900 +0 -4.98200000 +0 63.00600100 +0 -0.6912 C( 59 ILE 4) 26.81100100 +0 -6.73300000 +0 65.12300100 +0 -0.0432 C( 60 ILE 4) 26.28700100 +0 -7.01700000 +0 66.58300000 +0 -0.2370 C( 61 ILE 4) 27.16500100 +0 -8.05700000 +0 64.47300000 +0 -0.4940 C( 62 ILE 4) 24.90300000 +0 -7.48700000 +0 66.62899800 +0 -0.4797 H( 63 ILE* 4) 26.71574746 +1 -4.20138455 +1 65.43177198 +1 0.3280 H( 64 ILE* 4) 28.82594342 +1 -6.31421192 +1 65.96915791 +1 0.2162 H( 65 ILE 4) 26.02691189 +1 -6.20223154 +1 64.53387860 +1 0.1379 H( 66 ILE 4) 26.97602706 +1 -7.74804549 +1 67.06221472 +1 0.1359 H( 67 ILE 4) 26.38697570 +1 -6.09531604 +1 67.20100511 +1 0.1479 H( 68 ILE 4) 28.01465539 +1 -8.54883860 +1 64.96591764 +1 0.1613 H( 69 ILE 4) 26.31763369 +1 -8.75396612 +1 64.53368391 +1 0.1631 H( 70 ILE 4) 27.41652389 +1 -7.95042453 +1 63.41194225 +1 0.1420 H( 71 ILE 4) 24.74066383 +1 -8.44084557 +1 66.10708498 +1 0.1471 H( 72 ILE 4) 24.55636389 +1 -7.63942399 +1 67.66878443 +1 0.1534 H( 73 ILE 4) 24.18865722 +1 -6.76790213 +1 66.19127465 +1 0.1683 N( 74 GLY* 5) 29.86400000 +0 -6.14400000 +0 63.67699800 +0 -0.3959 C( 75 GLY* 5) 30.50300000 +0 -6.08300000 +0 62.35800200 +0 -0.2480 C( 76 GLY* 5) 30.18100000 +0 -7.42100000 +0 61.66199900 +0 0.5782 O( 77 GLY* 5) 30.66799900 +0 -8.44700000 +0 62.11999900 +0 -0.6475 H( 78 GLY* 5) 30.38471760 +1 -6.69145318 +1 64.40078517 +1 0.3370 H( 79 GLY* 5) 30.14707260 +1 -5.19179446 +1 61.78335524 +1 0.1935 H( 80 GLY* 5) 31.61026343 +1 -5.97517457 +1 62.46676378 +1 0.1963 N( 81 LEU* 6) 29.47800100 +0 -7.34400000 +0 60.55500000 +0 -0.4170 C( 82 LEU* 6) 29.15099900 +0 -8.53800000 +0 59.77600100 +0 -0.0422 C( 83 LEU* 6) 30.01600100 +0 -8.58300000 +0 58.55600000 +0 0.5537 O( 84 LEU* 6) 29.94000100 +0 -7.65600000 +0 57.68399800 +0 -0.6850 C( 85 LEU 6) 27.66900100 +0 -8.56200000 +0 59.43800000 +0 -0.3410 C( 86 LEU 6) 27.05500000 +0 -9.82100000 +0 58.84000000 +0 0.0209 C( 87 LEU 6) 25.55500000 +0 -9.82800000 +0 58.97499800 +0 -0.5105 C( 88 LEU 6) 27.53300100 +0 -10.05400000 +0 57.41700000 +0 -0.5282 H( 89 LEU* 6) 29.10272390 +1 -6.44534323 +1 60.17434755 +1 0.3389 H( 90 LEU* 6) 29.36993130 +1 -9.46468224 +1 60.42603215 +1 0.2053 H( 91 LEU 6) 27.10632166 +1 -8.31201724 +1 60.37114875 +1 0.1635 H( 92 LEU 6) 27.44657494 +1 -7.69964231 +1 58.76093502 +1 0.1673 H( 93 LEU 6) 27.44132104 +1 -10.69359251 +1 59.45215246 +1 0.1233 H( 94 LEU 6) 25.23678722 +1 -9.72046637 +1 60.02142477 +1 0.1605 H( 95 LEU 6) 25.07830647 +1 -9.00803862 +1 58.41712507 +1 0.1691 H( 96 LEU 6) 25.11106210 +1 -10.76000704 +1 58.60537770 +1 0.1499 H( 97 LEU 6) 28.55817512 +1 -10.44202994 +1 57.40104459 +1 0.1505 H( 98 LEU 6) 26.90120320 +1 -10.77590968 +1 56.89009110 +1 0.1417 H( 99 LEU 6) 27.53349362 +1 -9.12217421 +1 56.83427902 +1 0.1662 N( 100 PHE* 7) 30.90900000 +0 -9.51600000 +0 58.45800000 +0 -0.3969 C( 101 PHE* 7) 31.84700000 +0 -9.65000000 +0 57.36100000 +0 -0.0557 C( 102 PHE* 7) 31.50200100 +0 -10.88400000 +0 56.52500200 +0 0.5586 O( 103 PHE* 7) 31.54299900 +0 -12.01500000 +0 57.01499900 +0 -0.6600 C( 104 PHE 7) 33.27899900 +0 -9.81700000 +0 57.90000200 +0 -0.3261 C( 105 PHE 7) 33.84299900 +0 -8.52900000 +0 58.49000200 +0 0.0705 C( 106 PHE 7) 33.44500000 +0 -8.10300000 +0 59.73400100 +0 -0.1931 C( 107 PHE 7) 34.72499800 +0 -7.76100000 +0 57.74100100 +0 -0.2241 C( 108 PHE 7) 33.91799900 +0 -6.91300000 +0 60.26800200 +0 -0.1054 C( 109 PHE 7) 35.23799900 +0 -6.58000000 +0 58.28599900 +0 -0.1002 C( 110 PHE 7) 34.81800100 +0 -6.17500000 +0 59.52700000 +0 -0.1626 H( 111 PHE* 7) 30.98026727 +1 -10.29006941 +1 59.17169447 +1 0.3346 H( 112 PHE* 7) 31.80787719 +1 -8.70107443 +1 56.71708641 +1 0.2211 H( 113 PHE 7) 33.30751359 +1 -10.62476084 +1 58.66461400 +1 0.1696 H( 114 PHE 7) 33.93836071 +1 -10.18224494 +1 57.08624967 +1 0.1512 H( 115 PHE 7) 32.74605240 +1 -8.70409484 +1 60.33191520 +1 0.1767 H( 116 PHE 7) 35.02528468 +1 -8.07472624 +1 56.74369908 +1 0.1475 H( 117 PHE 7) 33.59107953 +1 -6.57446102 +1 61.25342310 +1 0.1604 H( 118 PHE 7) 35.94546128 +1 -5.98692881 +1 57.71207947 +1 0.1223 H( 119 PHE 7) 35.20865052 +1 -5.23772407 +1 59.94899291 +1 0.1629 N( 120 TYR* 8) 31.09400000 +0 -10.62000000 +0 55.28099800 +0 -0.4383 C( 121 TYR* 8) 30.62999900 +0 -11.67400000 +0 54.41799900 +0 -0.0643 C( 122 TYR* 8) 31.43100000 +0 -11.70200000 +0 53.10100200 +0 0.5737 O( 123 TYR* 8) 31.96100000 +0 -10.69800000 +0 52.68899900 +0 -0.6144 C( 124 TYR 8) 29.15800100 +0 -11.59300000 +0 54.11600100 +0 -0.3150 C( 125 TYR 8) 28.78900000 +0 -10.43800000 +0 53.22000100 +0 -0.0732 C( 126 TYR 8) 28.60600100 +0 -9.15700000 +0 53.75199900 +0 -0.0514 C( 127 TYR 8) 28.78300100 +0 -10.55500000 +0 51.83599900 +0 -0.0855 C( 128 TYR 8) 28.33400000 +0 -8.07200000 +0 52.93600100 +0 -0.2645 C( 129 TYR 8) 28.49700000 +0 -9.46300000 +0 51.01800200 +0 -0.3546 C( 130 TYR 8) 28.22900000 +0 -8.24900000 +0 51.59899900 +0 0.3389 O( 131 TYR 8) 27.99600000 +0 -7.10900000 +0 50.80099900 +0 -0.5302 H( 132 TYR* 8) 31.13859110 +1 -9.65431276 +1 54.86079316 +1 0.3527 H( 133 TYR* 8) 30.80551757 +1 -12.67744285 +1 54.96156463 +1 0.2050 H( 134 TYR 8) 28.80648095 +1 -12.54824492 +1 53.66924227 +1 0.1509 H( 135 TYR 8) 28.59065210 +1 -11.50795693 +1 55.07555194 +1 0.1764 H( 136 TYR 8) 28.69509113 +1 -8.99924619 +1 54.83554789 +1 0.1735 H( 137 TYR 8) 29.00368933 +1 -11.51860746 +1 51.37449991 +1 0.1332 H( 138 TYR 8) 28.19891179 +1 -7.07371237 +1 53.37967333 +1 0.2016 H( 139 TYR 8) 28.50676004 +1 -9.57755210 +1 49.93514221 +1 0.1628 H( 140 TYR 8) 28.18028893 +1 -7.29140552 +1 49.84335492 +1 0.3416 N( 141 GLY* 9) 31.40200000 +0 -12.88200000 +0 52.49100100 +0 -0.4335 C( 142 GLY* 9) 31.88100100 +0 -13.03500000 +0 51.09999800 +0 -0.2424 C( 143 GLY* 9) 30.73700000 +0 -13.71100000 +0 50.31800100 +0 0.5842 O( 144 GLY* 9) 29.92600100 +0 -14.43800000 +0 50.85800200 +0 -0.6710 H( 145 GLY* 9) 30.96994280 +1 -13.72451260 +1 52.90644238 +1 0.3126 H( 146 GLY* 9) 32.17815934 +1 -12.04217615 +1 50.66513756 +1 0.2196 H( 147 GLY* 9) 32.80118191 +1 -13.68027587 +1 51.05724353 +1 0.2185 N( 148 THR* 10) 30.73200000 +0 -13.45600000 +0 49.01699800 +0 -0.4386 C( 149 THR* 10) 29.71600000 +0 -13.99000000 +0 48.13399900 +0 -0.1791 C( 150 THR* 10) 30.27300100 +0 -14.16500000 +0 46.73500100 +0 0.5539 O( 151 THR* 10) 31.07799900 +0 -13.31200000 +0 46.27100000 +0 -0.5874 C( 152 THR 10) 28.44500000 +0 -13.11700000 +0 48.15800100 +0 0.2107 O( 153 THR 10) 27.41200100 +0 -13.78000000 +0 47.48000000 +0 -0.6064 C( 154 THR 10) 28.70000100 +0 -11.77200000 +0 47.48899800 +0 -0.5160 H( 155 THR* 10) 31.37574833 +1 -12.73432813 +1 48.57493265 +1 0.3563 H( 156 THR* 10) 29.40042969 +1 -15.00506946 +1 48.54484423 +1 0.1683 H( 157 THR 10) 28.14270118 +1 -12.96450262 +1 49.22837616 +1 0.1268 H( 158 THR 10) 26.85046326 +1 -14.31066863 +1 48.09172950 +1 0.3316 H( 159 THR 10) 29.51890578 +1 -11.22601142 +1 47.98260806 +1 0.1905 H( 160 THR 10) 29.00452664 +1 -11.87112826 +1 46.43575979 +1 0.1867 H( 161 THR 10) 27.81036149 +1 -11.13056744 +1 47.49965929 +1 0.1765 N( 162 GLN* 11) 29.84900100 +0 -15.17400000 +0 46.02299900 +0 -0.4402 C( 163 GLN* 11) 30.23800100 +0 -15.35500000 +0 44.62400100 +0 -0.0491 C( 164 GLN* 11) 29.00900100 +0 -15.09400000 +0 43.73899800 +0 0.5210 O( 165 GLN* 11) 29.15700000 +0 -14.26200000 +0 42.80199800 +0 -0.6013 C( 166 GLN 11) 30.76400000 +0 -16.77300100 +0 44.39199800 +0 -0.2606 C( 167 GLN 11) 31.28300100 +0 -16.94100000 +0 42.98099900 +0 -0.4254 C( 168 GLN 11) 32.04200000 +0 -18.21400100 +0 42.76699800 +0 0.6066 O( 169 GLN 11) 32.82799900 +0 -18.66900100 +0 43.61000100 +0 -0.6065 N( 170 GLN 11) 31.80900000 +0 -18.89800100 +0 41.67499900 +0 -0.5236 H( 171 GLN* 11) 29.10490640 +1 -15.78041301 +1 46.36408508 +1 0.2666 H( 172 GLN* 11) 31.02840491 +1 -14.58120615 +1 44.34965367 +1 0.2265 H( 173 GLN 11) 31.61616049 +1 -16.98406412 +1 45.09837617 +1 0.2055 H( 174 GLN 11) 30.00252873 +1 -17.54368805 +1 44.62126194 +1 0.1378 H( 175 GLN 11) 30.44802527 +1 -16.82360993 +1 42.25303528 +1 0.1708 H( 176 GLN 11) 31.97519410 +1 -16.09469212 +1 42.73122451 +1 0.1985 H( 177 GLN 11) 32.29969446 +1 -19.77843808 +1 41.50197993 +1 0.2925 H( 178 GLN 11) 31.18926001 +1 -18.61013093 +1 40.92966143 +1 0.2712 N( 179 THR* 12) 27.88900000 +0 -15.68200000 +0 44.01100200 +0 -0.3925 C( 180 THR* 12) 26.66000000 +0 -15.51000000 +0 43.22900000 +0 -0.1835 C( 181 THR* 12) 25.61700100 +0 -14.67200000 +0 43.95100000 +0 0.5536 O( 182 THR* 12) 24.43400000 +0 -14.64500000 +0 43.46799900 +0 -0.6466 C( 183 THR 12) 26.09300000 +0 -16.80600000 +0 42.71900200 +0 0.2116 O( 184 THR 12) 25.77400000 +0 -17.76600100 +0 43.68700000 +0 -0.6293 C( 185 THR 12) 27.04800000 +0 -17.50400000 +0 41.72800100 +0 -0.5155 H( 186 THR* 12) 27.84458215 +1 -16.51564698 +1 44.61944464 +1 0.2833 H( 187 THR* 12) 26.91161085 +1 -14.87247831 +1 42.28999138 +1 0.2563 H( 188 THR 12) 25.11992209 +1 -16.56154784 +1 42.18203579 +1 0.1638 H( 189 THR 12) 25.26896441 +1 -17.36809793 +1 44.46019422 +1 0.3627 H( 190 THR 12) 27.29881697 +1 -16.83920230 +1 40.89051691 +1 0.1844 H( 191 THR 12) 27.97105888 +1 -17.83878859 +1 42.20908446 +1 0.1622 H( 192 THR 12) 26.55957883 +1 -18.38855021 +1 41.30117930 +1 0.1649 N( 193 GLY* 13) 25.92400000 +0 -13.93200000 +0 45.00700000 +0 -0.3593 C( 194 GLY* 13) 25.08700000 +0 -13.01500000 +0 45.69300100 +0 -0.2720 C( 195 GLY* 13) 24.17499900 +0 -13.49300000 +0 46.76200100 +0 0.5685 O( 196 GLY* 13) 23.50200100 +0 -12.66100000 +0 47.44699900 +0 -0.6767 H( 197 GLY* 13) 26.86124827 +1 -14.01867800 +1 45.44978314 +1 0.2933 H( 198 GLY* 13) 25.72044395 +1 -12.17609556 +1 46.11482931 +1 0.2182 H( 199 GLY* 13) 24.40616951 +1 -12.45715405 +1 44.95439803 +1 0.2502 N( 200 LYS* 14) 24.01600100 +0 -14.78600000 +0 46.99700200 +0 -0.4374 C( 201 LYS* 14) 23.05900000 +0 -15.28200000 +0 47.94200100 +0 -0.0578 C( 202 LYS* 14) 23.40600000 +0 -14.96900000 +0 49.38600200 +0 0.5529 O( 203 LYS* 14) 22.52899900 +0 -14.61200000 +0 50.21400100 +0 -0.5982 C( 204 LYS 14) 22.83200100 +0 -16.77899900 +0 47.76699800 +0 -0.2832 C( 205 LYS 14) 22.20400000 +0 -17.15600000 +0 46.43199900 +0 -0.2738 C( 206 LYS 14) 22.28900000 +0 -18.65800100 +0 46.18999900 +0 -0.2404 C( 207 LYS 14) 22.37500000 +0 -18.95999900 +0 44.69800200 +0 -0.1267 N( 208 LYS 14) 22.30900000 +0 -20.42000000 +0 44.43199900 +0 -0.5799 H( 209 LYS* 14) 24.46566474 +1 -15.51621168 +1 46.38524400 +1 0.3377 H( 210 LYS* 14) 22.05428047 +1 -14.74506278 +1 47.76341810 +1 0.2168 H( 211 LYS 14) 23.78870527 +1 -17.33265444 +1 47.89543471 +1 0.1514 H( 212 LYS 14) 22.17898852 +1 -17.14370950 +1 48.59159177 +1 0.1510 H( 213 LYS 14) 21.14757091 +1 -16.81482113 +1 46.38113100 +1 0.1652 H( 214 LYS 14) 22.70450354 +1 -16.60898708 +1 45.60091199 +1 0.1592 H( 215 LYS 14) 23.19954069 +1 -19.07309260 +1 46.68003488 +1 0.0938 H( 216 LYS 14) 21.41923179 +1 -19.17786003 +1 46.63782360 +1 0.1372 H( 217 LYS 14) 21.57693410 +1 -18.39221635 +1 44.15733848 +1 0.1375 H( 218 LYS 14) 23.33901883 +1 -18.56993922 +1 44.28866938 +1 0.1241 H( 219 LYS 14) 21.35132336 +1 -20.75959548 +1 44.50389359 +1 0.2454 H( 220 LYS 14) 22.64593528 +1 -20.63928327 +1 43.49787981 +1 0.2322 N( 221 THR* 15) 24.69300100 +0 -15.04100000 +0 49.70999900 +0 -0.4847 C( 222 THR* 15) 25.16400000 +0 -14.73200000 +0 51.05899800 +0 -0.1813 C( 223 THR* 15) 25.00499900 +0 -13.27100000 +0 51.37900200 +0 0.5542 O( 224 THR* 15) 24.68700000 +0 -12.90700000 +0 52.52500200 +0 -0.5703 C( 225 THR 15) 26.61100000 +0 -15.19300000 +0 51.24200100 +0 0.1852 O( 226 THR 15) 26.68700000 +0 -16.60199900 +0 50.92499900 +0 -0.5351 C( 227 THR 15) 27.03200000 +0 -15.11300000 +0 52.73300200 +0 -0.5410 H( 228 THR* 15) 25.40959693 +1 -15.25387880 +1 48.99433074 +1 0.3018 H( 229 THR* 15) 24.49867268 +1 -15.28082451 +1 51.80893265 +1 0.2151 H( 230 THR 15) 27.36022325 +1 -14.71932093 +1 50.56909336 +1 0.1624 H( 231 THR 15) 25.86298862 +1 -17.13095986 +1 51.16397783 +1 0.3703 H( 232 THR 15) 26.69668951 +1 -15.98901730 +1 53.29913820 +1 0.1815 H( 233 THR 15) 28.12801761 +1 -15.06209395 +1 52.82024351 +1 0.1958 H( 234 THR 15) 26.62074608 +1 -14.22287887 +1 53.23989660 +1 0.2131 N( 235 GLU* 16) 25.13100100 +0 -12.40400000 +0 50.38900000 +0 -0.4363 C( 236 GLU* 16) 24.85100000 +0 -10.96400000 +0 50.57600000 +0 -0.0592 C( 237 GLU* 16) 23.40300000 +0 -10.69700000 +0 50.84400200 +0 0.5518 O( 238 GLU* 16) 23.05200000 +0 -9.94000000 +0 51.76499900 +0 -0.6043 C( 239 GLU 16) 25.32399900 +0 -10.23600000 +0 49.32099900 +0 -0.2733 C( 240 GLU 16) 25.10100000 +0 -8.72500000 +0 49.40300000 +0 -0.3682 C( 241 GLU 16) 25.85199900 +0 -8.03100000 +0 48.27299900 +0 0.6363 O( 242 GLU 16) 25.31800100 +0 -8.03200000 +0 47.14799900 +0 -0.5676 O( 243 GLU 16) 27.02400000 +0 -7.63500000 +0 48.48700000 +0 -0.4921 H( 244 GLU* 16) 25.19976113 +1 -12.69493100 +1 49.40382393 +1 0.2865 H( 245 GLU* 16) 25.43706119 +1 -10.59963851 +1 51.48498371 +1 0.2194 H( 246 GLU 16) 26.41048607 +1 -10.43477704 +1 49.17175990 +1 0.1606 H( 247 GLU 16) 24.81212207 +1 -10.63089628 +1 48.41252209 +1 0.1571 H( 248 GLU 16) 24.02225961 +1 -8.45867911 +1 49.30966942 +1 0.2039 H( 249 GLU 16) 25.41717387 +1 -8.31873676 +1 50.39430612 +1 0.2036 N( 250 SER* 17) 22.48800100 +0 -11.32100000 +0 50.11299900 +0 -0.4432 C( 251 SER* 17) 21.05200000 +0 -11.16000000 +0 50.34500100 +0 -0.0832 C( 252 SER* 17) 20.71200000 +0 -11.60200000 +0 51.77399800 +0 0.5440 O( 253 SER* 17) 19.95900000 +0 -10.93200000 +0 52.51100200 +0 -0.6325 C( 254 SER 17) 20.26300000 +0 -12.02100000 +0 49.34600100 +0 -0.0105 O( 255 SER 17) 20.40200000 +0 -11.48300000 +0 48.04499800 +0 -0.5881 H( 256 SER* 17) 22.72879433 +1 -11.90357155 +1 49.28951498 +1 0.3083 H( 257 SER* 17) 20.75203320 +1 -10.07097941 +1 50.23398803 +1 0.2177 H( 258 SER 17) 20.56783536 +1 -13.08425356 +1 49.37435529 +1 0.1286 H( 259 SER 17) 19.17462981 +1 -11.94510345 +1 49.57732289 +1 0.1632 H( 260 SER 17) 20.88170298 +1 -12.13520393 +1 47.42144818 +1 0.3550 N( 261 VAL* 18) 21.24600000 +0 -12.72000000 +0 52.23799900 +0 -0.4438 C( 262 VAL* 18) 20.98399900 +0 -13.16600000 +0 53.60900100 +0 -0.0723 C( 263 VAL* 18) 21.60400000 +0 -12.25500000 +0 54.63100100 +0 0.5512 O( 264 VAL* 18) 20.96200000 +0 -12.01800000 +0 55.70800000 +0 -0.6440 C( 265 VAL 18) 21.55900000 +0 -14.59800000 +0 53.83599900 +0 0.0185 C( 266 VAL 18) 21.64800100 +0 -14.89500000 +0 55.32199900 +0 -0.5368 C( 267 VAL 18) 20.66799900 +0 -15.62200000 +0 53.14400100 +0 -0.4961 H( 268 VAL* 18) 21.83698637 +1 -13.34093546 +1 51.65664348 +1 0.3108 H( 269 VAL* 18) 19.86218128 +1 -13.15950897 +1 53.79810795 +1 0.2094 H( 270 VAL 18) 22.58824629 +1 -14.63944875 +1 53.39714583 +1 0.1025 H( 271 VAL 18) 22.24954889 +1 -14.16738516 +1 55.89121893 +1 0.1907 H( 272 VAL 18) 20.65847836 +1 -14.90190517 +1 55.80959556 +1 0.1848 H( 273 VAL 18) 22.13322410 +1 -15.86221717 +1 55.49935047 +1 0.1549 H( 274 VAL 18) 20.63896322 +1 -15.46808021 +1 52.05828153 +1 0.1517 H( 275 VAL 18) 21.01754901 +1 -16.64267398 +1 53.32777254 +1 0.1334 H( 276 VAL 18) 19.63107362 +1 -15.57180722 +1 53.50842097 +1 0.1760 N( 277 ALA* 19) 22.77300100 +0 -11.68000000 +0 54.39300200 +0 -0.4347 C( 278 ALA* 19) 23.38299900 +0 -10.69200000 +0 55.24800100 +0 0.0000 C( 279 ALA* 19) 22.45599900 +0 -9.48900000 +0 55.47800100 +0 0.5526 O( 280 ALA* 19) 22.33200100 +0 -9.00300000 +0 56.60300100 +0 -0.6218 C( 281 ALA 19) 24.72699900 +0 -10.24800000 +0 54.74200100 +0 -0.5237 H( 282 ALA* 19) 23.27578135 +1 -11.84617992 +1 53.49739370 +1 0.3064 H( 283 ALA* 19) 23.51725688 +1 -11.15355597 +1 56.28777908 +1 0.1932 H( 284 ALA 19) 25.41979204 +1 -11.08781884 +1 54.60032536 +1 0.1693 H( 285 ALA 19) 24.65911071 +1 -9.71378632 +1 53.77904719 +1 0.1802 H( 286 ALA 19) 25.20194432 +1 -9.54798236 +1 55.45208399 +1 0.1922 N( 287 GLU* 20) 21.80299900 +0 -9.01100000 +0 54.42599900 +0 -0.4479 C( 288 GLU* 20) 20.87400100 +0 -7.90200000 +0 54.49200100 +0 -0.0619 C( 289 GLU* 20) 19.67600100 +0 -8.28600000 +0 55.34100000 +0 0.5522 O( 290 GLU* 20) 19.19100000 +0 -7.45800000 +0 56.13900000 +0 -0.6272 C( 291 GLU 20) 20.43100000 +0 -7.49200000 +0 53.06600200 +0 -0.2372 C( 292 GLU 20) 21.56699900 +0 -6.77500000 +0 52.33200100 +0 -0.4626 C( 293 GLU 20) 21.15900000 +0 -6.33400000 +0 50.93100000 +0 0.6715 O( 294 GLU 20) 19.98000000 +0 -6.52200000 +0 50.57000000 +0 -0.5433 O( 295 GLU 20) 22.04500000 +0 -5.85400000 +0 50.19300100 +0 -0.4765 H( 296 GLU* 20) 21.94982264 +1 -9.40746921 +1 53.47369780 +1 0.3162 H( 297 GLU* 20) 21.36218727 +1 -7.01180495 +1 55.00253664 +1 0.1953 H( 298 GLU 20) 20.09054348 +1 -8.37716602 +1 52.48849759 +1 0.1576 H( 299 GLU 20) 19.54017696 +1 -6.82351736 +1 53.12710726 +1 0.1866 H( 300 GLU 20) 21.88458478 +1 -5.87673896 +1 52.91805629 +1 0.2092 H( 301 GLU 20) 22.46416643 +1 -7.42582210 +1 52.27295356 +1 0.1768 N( 302 ILE* 21) 19.22500000 +0 -9.52700000 +0 55.26900100 +0 -0.4183 C( 303 ILE* 21) 18.12599900 +0 -9.97400000 +0 56.10900100 +0 -0.0922 C( 304 ILE* 21) 18.51600100 +0 -9.95700000 +0 57.57000000 +0 0.5586 O( 305 ILE* 21) 17.73200000 +0 -9.59600000 +0 58.48899800 +0 -0.6512 C( 306 ILE 21) 17.51300000 +0 -11.31900000 +0 55.69200100 +0 -0.0685 C( 307 ILE 21) 17.06200000 +0 -11.22600000 +0 54.19599900 +0 -0.2354 C( 308 ILE 21) 16.35800000 +0 -11.74200000 +0 56.58200100 +0 -0.4869 C( 309 ILE 21) 16.74000000 +0 -12.61700000 +0 53.65700100 +0 -0.4433 H( 310 ILE* 21) 19.60791964 +1 -10.23077895 +1 54.60858234 +1 0.3121 H( 311 ILE* 21) 17.28385873 +1 -9.19608901 +1 56.02526473 +1 0.2069 H( 312 ILE 21) 18.31816738 +1 -12.10135443 +1 55.75836765 +1 0.1379 H( 313 ILE 21) 16.16655230 +1 -10.57386845 +1 54.11509094 +1 0.1662 H( 314 ILE 21) 17.84819740 +1 -10.76292549 +1 53.56774356 +1 0.1216 H( 315 ILE 21) 16.65227407 +1 -11.85153846 +1 57.63302389 +1 0.1560 H( 316 ILE 21) 15.53255776 +1 -11.01259849 +1 56.56757237 +1 0.1791 H( 317 ILE 21) 15.92325927 +1 -12.69845423 +1 56.26223332 +1 0.1659 H( 318 ILE 21) 17.60399322 +1 -13.28546665 +1 53.68832662 +1 0.1210 H( 319 ILE 21) 15.92683910 +1 -13.08618013 +1 54.23579927 +1 0.1557 H( 320 ILE 21) 16.39557844 +1 -12.55468429 +1 52.61811767 +1 0.1344 N( 321 ILE* 22) 19.71299900 +0 -10.44300000 +0 57.88000100 +0 -0.4514 C( 322 ILE* 22) 20.17100000 +0 -10.44900000 +0 59.28400000 +0 -0.0836 C( 323 ILE* 22) 20.26000000 +0 -9.04100000 +0 59.79000100 +0 0.5728 O( 324 ILE* 22) 19.80299900 +0 -8.76100000 +0 60.91999800 +0 -0.6490 C( 325 ILE 22) 21.56399900 +0 -11.17000000 +0 59.31900000 +0 -0.0245 C( 326 ILE 22) 21.42300000 +0 -12.65300000 +0 59.08300000 +0 -0.2588 C( 327 ILE 22) 22.19899900 +0 -10.88700000 +0 60.66799900 +0 -0.5186 C( 328 ILE 22) 22.71500000 +0 -13.38900000 +0 58.78799800 +0 -0.4654 H( 329 ILE* 22) 20.39544585 +1 -10.76909799 +1 57.16631124 +1 0.3252 H( 330 ILE* 22) 19.42525802 +1 -11.00064431 +1 59.92536819 +1 0.1818 H( 331 ILE 22) 22.20771218 +1 -10.71816947 +1 58.51351657 +1 0.1458 H( 332 ILE 22) 20.92362080 +1 -13.13159768 +1 59.95508721 +1 0.1399 H( 333 ILE 22) 20.72765676 +1 -12.83479971 +1 58.22767846 +1 0.1429 H( 334 ILE 22) 21.51597001 +1 -11.10696938 +1 61.50172511 +1 0.1674 H( 335 ILE 22) 23.09426104 +1 -11.50051326 +1 60.82980911 +1 0.1586 H( 336 ILE 22) 22.50611550 +1 -9.83803038 +1 60.78150039 +1 0.1714 H( 337 ILE 22) 23.44809786 +1 -13.28197803 +1 59.59820589 +1 0.1523 H( 338 ILE 22) 22.54126418 +1 -14.46149703 +1 58.64677588 +1 0.1467 H( 339 ILE 22) 23.19803130 +1 -13.02031813 +1 57.87470150 +1 0.1372 N( 340 ARG* 23) 20.76300000 +0 -8.10600000 +0 59.00899900 +0 -0.4381 C( 341 ARG* 23) 20.80500000 +0 -6.69900000 +0 59.43700000 +0 -0.0533 C( 342 ARG* 23) 19.42000000 +0 -6.19500000 +0 59.77700000 +0 0.5642 O( 343 ARG* 23) 19.18100000 +0 -5.56900000 +0 60.82600000 +0 -0.6580 C( 344 ARG 23) 21.44800000 +0 -5.84200000 +0 58.34000000 +0 -0.2994 C( 345 ARG 23) 21.28800000 +0 -4.37500000 +0 58.55400100 +0 -0.3080 C( 346 ARG 23) 22.02500000 +0 -3.51300000 +0 57.56300000 +0 -0.1031 N( 347 ARG 23) 21.51899900 +0 -3.58600000 +0 56.22300000 +0 -0.4900 C( 348 ARG 23) 22.06100100 +0 -3.13500000 +0 55.11399800 +0 0.5658 N( 349 ARG 23) 23.25600100 +0 -2.53400000 +0 55.08900100 +0 -0.5431 N( 350 ARG 23) 21.41700000 +0 -3.29500000 +0 53.97300000 +0 -0.8497 H( 351 ARG* 23) 21.13633053 +1 -8.30041342 +1 58.05749900 +1 0.3209 H( 352 ARG* 23) 21.42286837 +1 -6.62221801 +1 60.38832140 +1 0.1960 H( 353 ARG 23) 22.52800121 +1 -6.10744614 +1 58.26233394 +1 0.1575 H( 354 ARG 23) 21.01651334 +1 -6.12518776 +1 57.34639763 +1 0.1663 H( 355 ARG 23) 20.20380586 +1 -4.09109815 +1 58.55670304 +1 0.1734 H( 356 ARG 23) 21.63031491 +1 -4.09086740 +1 59.58267663 +1 0.1764 H( 357 ARG 23) 21.98371052 +1 -2.44456557 +1 57.92943230 +1 0.1534 H( 358 ARG 23) 23.11890220 +1 -3.77780793 +1 57.58159266 +1 0.1487 H( 359 ARG 23) 20.54510052 +1 -3.94712744 +1 56.17461250 +1 0.2973 H( 360 ARG 23) 23.67171044 +1 -2.12870234 +1 55.93352009 +1 0.2982 H( 361 ARG 23) 23.56322296 +1 -2.10055688 +1 54.22674904 +1 0.2722 H( 362 ARG 23) 20.50956681 +1 -3.75176585 +1 53.98492448 +1 0.2548 N( 363 ASP* 24) 18.47200000 +0 -6.48500000 +0 58.90300000 +0 -0.4077 C( 364 ASP* 24) 17.09600100 +0 -6.04900000 +0 59.14600000 +0 -0.0238 C( 365 ASP* 24) 16.50799900 +0 -6.66300000 +0 60.37400100 +0 0.5371 O( 366 ASP* 24) 15.82200000 +0 -6.00300000 +0 61.16500100 +0 -0.6063 C( 367 ASP 24) 16.23700000 +0 -6.44100000 +0 57.91700000 +0 -0.4181 C( 368 ASP 24) 16.57700000 +0 -5.64100000 +0 56.68000000 +0 0.6672 O( 369 ASP 24) 17.37000100 +0 -4.69300000 +0 56.76300000 +0 -0.5804 O( 370 ASP 24) 16.10100000 +0 -6.03000000 +0 55.58800100 +0 -0.5025 H( 371 ASP* 24) 18.65754865 +1 -6.94742891 +1 57.99235777 +1 0.3233 H( 372 ASP* 24) 17.07695826 +1 -4.90987650 +1 59.27000828 +1 0.2287 H( 373 ASP 24) 16.33475070 +1 -7.53452887 +1 57.70757320 +1 0.2074 H( 374 ASP 24) 15.15781909 +1 -6.28688287 +1 58.17045947 +1 0.2170 N( 375 GLU* 25) 16.75600100 +0 -7.95900000 +0 60.61999900 +0 -0.4116 C( 376 GLU* 25) 16.22100100 +0 -8.64800000 +0 61.71600000 +0 -0.0961 C( 377 GLU* 25) 16.72600000 +0 -8.22300000 +0 63.06300000 +0 0.5472 O( 378 GLU* 25) 16.09600100 +0 -8.39400000 +0 64.12400100 +0 -0.6348 C( 379 GLU 25) 16.30900000 +0 -10.18900000 +0 61.56100100 +0 -0.1875 C( 380 GLU 25) 15.77000000 +0 -10.90100000 +0 62.81200000 +0 -0.4657 C( 381 GLU 25) 14.28700000 +0 -10.58600000 +0 63.00899900 +0 0.6814 O( 382 GLU 25) 13.56900000 +0 -10.48700000 +0 61.97200000 +0 -0.5962 O( 383 GLU 25) 13.84200000 +0 -10.43700000 +0 64.15399900 +0 -0.4530 H( 384 GLU* 25) 17.38939283 +1 -8.50782549 +1 59.99298054 +1 0.3201 H( 385 GLU* 25) 15.08853411 +1 -8.41200205 +1 61.76851383 +1 0.2041 H( 386 GLU 25) 15.72287734 +1 -10.49037641 +1 60.66737335 +1 0.1577 H( 387 GLU 25) 17.35838017 +1 -10.49308168 +1 61.37249673 +1 0.1450 H( 388 GLU 25) 15.90170803 +1 -11.99886618 +1 62.71168633 +1 0.1732 H( 389 GLU 25) 16.36042395 +1 -10.61602421 +1 63.71292216 +1 0.1919 N( 390 PHE* 26) 17.93800000 +0 -7.66200000 +0 63.09100000 +0 -0.4434 C( 391 PHE* 26) 18.47300000 +0 -7.14300000 +0 64.33999600 +0 -0.0138 C( 392 PHE* 26) 17.72699900 +0 -5.88900000 +0 64.80100300 +0 0.5526 O( 393 PHE* 26) 17.92900100 +0 -5.38300000 +0 65.90200000 +0 -0.6296 C( 394 PHE 26) 19.97400100 +0 -6.86600000 +0 64.19400000 +0 -0.3364 C( 395 PHE 26) 20.85899900 +0 -7.97400000 +0 64.77300300 +0 0.0852 C( 396 PHE 26) 21.15800100 +0 -7.98600000 +0 66.10800200 +0 -0.1870 C( 397 PHE 26) 21.28500000 +0 -9.02400000 +0 63.98300200 +0 -0.2174 C( 398 PHE 26) 21.86100000 +0 -9.04500000 +0 66.65300000 +0 -0.1354 C( 399 PHE 26) 22.11899900 +0 -9.98100000 +0 64.49299600 +0 -0.1382 C( 400 PHE 26) 22.41099900 +0 -10.02900000 +0 65.83799700 +0 -0.1762 H( 401 PHE* 26) 18.55161855 +1 -7.57843892 +1 62.25567853 +1 0.3214 H( 402 PHE* 26) 18.30515688 +1 -7.90611045 +1 65.16597940 +1 0.1816 H( 403 PHE 26) 20.24062617 +1 -6.68615005 +1 63.12687128 +1 0.1782 H( 404 PHE 26) 20.23379082 +1 -5.89618112 +1 64.69660990 +1 0.2033 H( 405 PHE 26) 20.82058549 +1 -7.17262717 +1 66.76200586 +1 0.1663 H( 406 PHE 26) 20.98599618 +1 -9.05578049 +1 62.92376987 +1 0.1782 H( 407 PHE 26) 22.03640403 +1 -9.08251912 +1 67.73064715 +1 0.1441 H( 408 PHE 26) 22.52202277 +1 -10.75311189 +1 63.83062790 +1 0.1294 H( 409 PHE 26) 23.03425541 +1 -10.81622787 +1 66.25728489 +1 0.1443 N( 410 GLY* 27) 16.83900100 +0 -5.35500000 +0 63.96600000 +0 -0.3934 C( 411 GLY* 27) 16.04100000 +0 -4.18600000 +0 64.32499700 +0 -0.2682 C( 412 GLY* 27) 16.78300100 +0 -2.92600000 +0 64.55899800 +0 0.5950 O( 413 GLY* 27) 17.57700000 +0 -2.44700000 +0 63.72800100 +0 -0.6296 H( 414 GLY* 27) 16.71807113 +1 -5.63907651 +1 62.97806114 +1 0.3098 H( 415 GLY* 27) 15.31082420 +1 -3.99221962 +1 63.47745207 +1 0.2137 H( 416 GLY* 27) 15.39064114 +1 -4.44489492 +1 65.21297927 +1 0.1963 N( 417 ASN* 28) 16.62200000 +0 -2.34900000 +0 65.76100200 +0 -0.4674 C( 418 ASN* 28) 17.30500000 +0 -1.09400000 +0 66.08799700 +0 0.0183 C( 419 ASN* 28) 18.68000000 +0 -1.31700000 +0 66.67900100 +0 0.5429 O( 420 ASN* 28) 19.40000000 +0 -0.32500000 +0 66.98200200 +0 -0.6531 C( 421 ASN 28) 16.40900000 +0 -0.32100000 +0 67.07000000 +0 -0.4463 C( 422 ASN 28) 15.12900000 +0 0.15900000 +0 66.34400200 +0 0.6326 O( 423 ASN 28) 15.19200000 +0 0.58500000 +0 65.21299700 +0 -0.6349 N( 424 ASN 28) 14.02800000 +0 0.04000000 +0 67.04499800 +0 -0.5449 H( 425 ASN* 28) 16.09126520 +1 -2.81386360 +1 66.51973127 +1 0.3135 H( 426 ASN* 28) 17.46081339 +1 -0.47473981 +1 65.14221888 +1 0.2137 H( 427 ASN 28) 16.21102436 +1 -0.91576653 +1 67.98240619 +1 0.1822 H( 428 ASN 28) 16.96899685 +1 0.57670167 +1 67.42961659 +1 0.2127 H( 429 ASN 28) 13.10486536 +1 0.29464351 +1 66.67142748 +1 0.2937 H( 430 ASN 28) 13.98553395 +1 -0.39199701 +1 67.96733071 +1 0.2894 N( 431 ASP* 29) 19.13999900 +0 -2.51700000 +0 66.82599600 +0 -0.3754 C( 432 ASP* 29) 20.50099900 +0 -2.86700000 +0 67.18699600 +0 0.0097 C( 433 ASP* 29) 21.39200000 +0 -2.81900000 +0 65.94000200 +0 0.5252 O( 434 ASP* 29) 21.06100100 +0 -3.53700000 +0 64.93599700 +0 -0.6848 C( 435 ASP 29) 20.62800000 +0 -4.16500000 +0 67.88999900 +0 -0.4391 C( 436 ASP 29) 20.01100000 +0 -4.15900000 +0 69.30200200 +0 0.6760 O( 437 ASP 29) 20.22200000 +0 -3.08200000 +0 69.91500100 +0 -0.6352 O( 438 ASP 29) 19.38999900 +0 -5.11000000 +0 69.64199800 +0 -0.5375 H( 439 ASP* 29) 18.56900696 +1 -3.36436445 +1 66.59056067 +1 0.3120 H( 440 ASP* 29) 20.85553626 +1 -2.05237078 +1 67.92901047 +1 0.2114 H( 441 ASP 29) 20.19176566 +1 -4.99675104 +1 67.28393934 +1 0.1906 H( 442 ASP 29) 21.71116716 +1 -4.42875959 +1 68.01086145 +1 0.2050 N( 443 VAL* 30) 22.40300000 +0 -2.00500000 +0 65.87500000 +0 -0.3519 C( 444 VAL* 30) 23.13999900 +0 -1.75800000 +0 64.65200000 +0 -0.1195 C( 445 VAL* 30) 24.03000100 +0 -2.91700000 +0 64.22100100 +0 0.5932 O( 446 VAL* 30) 24.87000100 +0 -3.39800000 +0 64.98200200 +0 -0.6762 C( 447 VAL 30) 24.04600000 +0 -0.50000000 +0 64.83999600 +0 0.0047 C( 448 VAL 30) 24.91600000 +0 -0.35700000 +0 63.56800100 +0 -0.5069 C( 449 VAL 30) 23.13999900 +0 0.73100000 +0 64.96399700 +0 -0.5086 H( 450 VAL* 30) 22.74758345 +1 -1.50670422 +1 66.71325973 +1 0.2996 H( 451 VAL* 30) 22.38031294 +1 -1.52540235 +1 63.82987194 +1 0.2027 H( 452 VAL 30) 24.69459231 +1 -0.61688203 +1 65.73522656 +1 0.1274 H( 453 VAL 30) 25.69072270 +1 -1.12967584 +1 63.50878824 +1 0.1625 H( 454 VAL 30) 24.30253976 +1 -0.40210235 +1 62.65979662 +1 0.1639 H( 455 VAL 30) 25.42311602 +1 0.61528517 +1 63.57612579 +1 0.1547 H( 456 VAL 30) 22.48068393 +1 0.68033909 +1 65.83887331 +1 0.1639 H( 457 VAL 30) 23.72922518 +1 1.65199831 +1 65.05423188 +1 0.1633 H( 458 VAL 30) 22.48353148 +1 0.84288929 +1 64.08468604 +1 0.1756 N( 459 VAL* 31) 23.89100100 +0 -3.32700000 +0 62.99100100 +0 -0.4058 C( 460 VAL* 31) 24.78599900 +0 -4.29400000 +0 62.33200100 +0 -0.0817 C( 461 VAL* 31) 25.33400000 +0 -3.56200000 +0 61.07500100 +0 0.5624 O( 462 VAL* 31) 24.53200000 +0 -3.03000000 +0 60.31900000 +0 -0.6647 C( 463 VAL 31) 23.95200000 +0 -5.50300000 +0 61.83700200 +0 0.0164 C( 464 VAL 31) 24.90700000 +0 -6.46100000 +0 61.07899900 +0 -0.5310 C( 465 VAL 31) 23.35700000 +0 -6.23800000 +0 63.01599900 +0 -0.5111 H( 466 VAL* 31) 23.07515077 +1 -3.04961966 +1 62.40657585 +1 0.3101 H( 467 VAL* 31) 25.60687175 +1 -4.62040007 +1 63.03496056 +1 0.2057 H( 468 VAL 31) 23.14939887 +1 -5.14729477 +1 61.14560280 +1 0.1372 H( 469 VAL 31) 25.78234855 +1 -6.71801729 +1 61.68666134 +1 0.1651 H( 470 VAL 31) 24.39807251 +1 -7.39380016 +1 60.81923024 +1 0.1555 H( 471 VAL 31) 25.26800771 +1 -6.02339536 +1 60.14379581 +1 0.1467 H( 472 VAL 31) 22.63201024 +1 -5.61370489 +1 63.56687107 +1 0.1848 H( 473 VAL 31) 22.81405933 +1 -7.13933440 +1 62.70915282 +1 0.1500 H( 474 VAL 31) 24.11574704 +1 -6.55520433 +1 63.74564237 +1 0.1703 N( 475 THR* 32) 26.63100100 +0 -3.55100000 +0 60.92599900 +0 -0.4016 C( 476 THR* 32) 27.32600000 +0 -2.91300000 +0 59.79499800 +0 -0.1486 C( 477 THR* 32) 27.85000000 +0 -4.00500000 +0 58.84500100 +0 0.5432 O( 478 THR* 32) 28.55600000 +0 -4.91400000 +0 59.31499900 +0 -0.6716 C( 479 THR 32) 28.56699900 +0 -2.14500000 +0 60.35200100 +0 0.2648 O( 480 THR 32) 27.95400000 +0 -1.07300000 +0 61.17300000 +0 -0.6431 C( 481 THR 32) 29.23399900 +0 -1.38800000 +0 59.18800000 +0 -0.5952 H( 482 THR* 32) 27.27423611 +1 -4.05353612 +1 61.58936679 +1 0.3448 H( 483 THR* 32) 26.62837522 +1 -2.20023416 +1 59.27183785 +1 0.1902 H( 484 THR 32) 29.21680108 +1 -2.70573912 +1 61.03636559 +1 0.1564 H( 485 THR 32) 27.41255854 +1 -0.46708981 +1 60.59488472 +1 0.3438 H( 486 THR 32) 29.66575426 +1 -2.05517850 +1 58.42787752 +1 0.1954 H( 487 THR 32) 28.53235324 +1 -0.73437608 +1 58.65879566 +1 0.1739 H( 488 THR 32) 30.04944545 +1 -0.74740822 +1 59.55201944 +1 0.1866 N( 489 LEU* 33) 27.47200000 +0 -3.94400000 +0 57.60500000 +0 -0.3772 C( 490 LEU* 33) 27.83900100 +0 -4.92600000 +0 56.58499900 +0 -0.0379 C( 491 LEU* 33) 29.18400000 +0 -4.59800000 +0 55.96900200 +0 0.5451 O( 492 LEU* 33) 29.40600000 +0 -3.43700000 +0 55.60900100 +0 -0.6142 C( 493 LEU 33) 26.76199900 +0 -4.93000000 +0 55.49200100 +0 -0.3441 C( 494 LEU 33) 25.34900100 +0 -5.24800000 +0 55.90599800 +0 0.0375 C( 495 LEU 33) 24.43000000 +0 -5.34400000 +0 54.69900100 +0 -0.5006 C( 496 LEU 33) 25.25799900 +0 -6.47000000 +0 56.77600100 +0 -0.5013 H( 497 LEU* 33) 26.91976860 +1 -3.13158649 +1 57.23407608 +1 0.3263 H( 498 LEU* 33) 27.88344728 +1 -5.94828642 +1 57.08345171 +1 0.1834 H( 499 LEU 33) 26.77062195 +1 -3.93550111 +1 54.97954999 +1 0.1734 H( 500 LEU 33) 27.08332951 +1 -5.64700423 +1 54.70246637 +1 0.1450 H( 501 LEU 33) 24.96918719 +1 -4.37316666 +1 56.52071760 +1 0.1366 H( 502 LEU 33) 24.50548392 +1 -4.46067802 +1 54.05256065 +1 0.1581 H( 503 LEU 33) 24.65926197 +1 -6.20588750 +1 54.06196071 +1 0.1418 H( 504 LEU 33) 23.37897713 +1 -5.42148427 +1 55.00190079 +1 0.1600 H( 505 LEU 33) 25.71757234 +1 -6.31328305 +1 57.76118728 +1 0.1519 H( 506 LEU 33) 24.21166320 +1 -6.75432931 +1 56.96876680 +1 0.1561 H( 507 LEU 33) 25.73534554 +1 -7.34833497 +1 56.32742686 +1 0.1364 N( 508 HIS* 34) 30.04100000 +0 -5.59900000 +0 55.80199800 +0 -0.4327 C( 509 HIS* 34) 31.32000000 +0 -5.48000000 +0 55.15200000 +0 -0.0068 C( 510 HIS* 34) 31.52700000 +0 -6.64700000 +0 54.14799900 +0 0.5505 O( 511 HIS* 34) 31.63999900 +0 -7.78000000 +0 54.61800000 +0 -0.6655 C( 512 HIS 34) 32.47900000 +0 -5.51400000 +0 56.12500000 +0 -0.3165 C( 513 HIS 34) 32.41400100 +0 -4.48500000 +0 57.20900000 +0 0.1287 N( 514 HIS 34) 33.29900000 +0 -3.39900000 +0 57.19599900 +0 -0.4785 C( 515 HIS 34) 31.61200000 +0 -4.43200000 +0 58.33100100 +0 -0.2541 C( 516 HIS 34) 33.00099900 +0 -2.69100000 +0 58.28599900 +0 0.0038 N( 517 HIS 34) 32.06600200 +0 -3.25300000 +0 58.93299900 +0 -0.1199 H( 518 HIS* 34) 29.90537981 +1 -6.50949865 +1 56.30036920 +1 0.3289 H( 519 HIS* 34) 31.35760624 +1 -4.47868548 +1 54.60459794 +1 0.1869 H( 520 HIS 34) 32.55154498 +1 -6.52189856 +1 56.60888308 +1 0.1855 H( 521 HIS 34) 33.43371139 +1 -5.38810255 +1 55.55741146 +1 0.1706 H( 522 HIS 34) 30.80978045 +1 -5.04859285 +1 58.70040156 +1 0.2171 H( 523 HIS 34) 33.53995220 +1 -1.77006219 +1 58.56771721 +1 0.2207 H( 524 HIS 34) 31.67774851 +1 -2.92739285 +1 59.83448068 +1 0.2886 N( 525 ASP* 35) 31.63500000 +0 -6.32800000 +0 52.89600000 +0 -0.4023 C( 526 ASP* 35) 31.98100100 +0 -7.38700000 +0 51.87699900 +0 -0.0140 C( 527 ASP* 35) 33.49700200 +0 -7.54000000 +0 51.96400100 +0 0.5336 O( 528 ASP* 35) 34.25899900 +0 -6.55600000 +0 51.80500000 +0 -0.6737 C( 529 ASP 35) 31.52400000 +0 -6.90400000 +0 50.54200000 +0 -0.4424 C( 530 ASP 35) 31.79999900 +0 -7.84300000 +0 49.38100100 +0 0.7398 O( 531 ASP 35) 32.69699900 +0 -8.69300000 +0 49.47399900 +0 -0.7083 O( 532 ASP 35) 31.14900000 +0 -7.66200000 +0 48.32899900 +0 -0.6089 H( 533 ASP* 35) 31.73857694 +1 -5.35044871 +1 52.57060253 +1 0.3214 H( 534 ASP* 35) 31.46003167 +1 -8.35229431 +1 52.17335058 +1 0.2042 H( 535 ASP 35) 30.42940633 +1 -6.65009933 +1 50.57718961 +1 0.2260 H( 536 ASP 35) 32.00853987 +1 -5.92143496 +1 50.28137394 +1 0.2221 N( 537 VAL* 36) 33.98700000 +0 -8.75100000 +0 52.20299900 +0 -0.3767 C( 538 VAL* 36) 35.38800000 +0 -9.02100000 +0 52.36399800 +0 -0.1128 C( 539 VAL* 36) 36.20299900 +0 -8.83200000 +0 51.09000000 +0 0.5532 O( 540 VAL* 36) 37.42100100 +0 -8.73000000 +0 51.17699800 +0 -0.6147 C( 541 VAL 36) 35.72399900 +0 -10.35200000 +0 53.05500000 +0 -0.0155 C( 542 VAL 36) 35.16500100 +0 -10.37300000 +0 54.47499800 +0 -0.5055 C( 543 VAL 36) 35.22700100 +0 -11.53000000 +0 52.27399800 +0 -0.5042 H( 544 VAL* 36) 33.35777803 +1 -9.56823873 +1 52.34668246 +1 0.3219 H( 545 VAL* 36) 35.81824381 +1 -8.20276141 +1 53.05289565 +1 0.1908 H( 546 VAL 36) 36.85076760 +1 -10.39934518 +1 53.11784860 +1 0.1512 H( 547 VAL 36) 35.57089535 +1 -9.55594767 +1 55.08355504 +1 0.1515 H( 548 VAL 36) 34.07018835 +1 -10.28841122 +1 54.49391639 +1 0.1736 H( 549 VAL 36) 35.43381604 +1 -11.31059333 +1 54.98580399 +1 0.1770 H( 550 VAL 36) 35.64262481 +1 -11.56362960 +1 51.26184378 +1 0.1467 H( 551 VAL 36) 35.50257082 +1 -12.47916769 +1 52.76486038 +1 0.1743 H( 552 VAL 36) 34.12984162 +1 -11.54081834 +1 52.19198359 +1 0.1619 N( 553 SER* 37) 35.52500200 +0 -8.65500000 +0 49.94400000 +0 -0.4689 C( 554 SER* 37) 36.26300000 +0 -8.29600000 +0 48.73199800 +0 -0.1345 C( 555 SER* 37) 36.84500100 +0 -6.90900000 +0 48.82899900 +0 0.5875 O( 556 SER* 37) 37.82400100 +0 -6.61500000 +0 48.10400000 +0 -0.6550 C( 557 SER 37) 35.37599900 +0 -8.41200000 +0 47.50099900 +0 -0.0012 O( 558 SER 37) 34.39899800 +0 -7.41700000 +0 47.47200000 +0 -0.5753 H( 559 SER* 37) 34.49028149 +1 -8.67927471 +1 49.86173399 +1 0.3312 H( 560 SER* 37) 37.15564779 +1 -8.99927666 +1 48.61428114 +1 0.2098 H( 561 SER 37) 35.99612564 +1 -8.38757852 +1 46.57246283 +1 0.1563 H( 562 SER 37) 34.79209584 +1 -9.35967078 +1 47.50284588 +1 0.1515 H( 563 SER 37) 34.80069483 +1 -6.50990851 +1 47.27940351 +1 0.3464 N( 564 GLN* 38) 36.34299900 +0 -6.04400000 +0 49.70600100 +0 -0.4145 C( 565 GLN* 38) 36.73700000 +0 -4.68800000 +0 49.91600000 +0 -0.0789 C( 566 GLN* 38) 37.41600000 +0 -4.45000000 +0 51.25299800 +0 0.5701 O( 567 GLN* 38) 37.82899900 +0 -3.32500000 +0 51.58900100 +0 -0.6270 C( 568 GLN 38) 35.55799900 +0 -3.71000000 +0 49.84199900 +0 -0.2651 C( 569 GLN 38) 34.64099900 +0 -3.97700000 +0 48.64899800 +0 -0.4167 C( 570 GLN 38) 35.37400100 +0 -3.74900000 +0 47.33900100 +0 0.6115 O( 571 GLN 38) 35.29700100 +0 -4.53400000 +0 46.39799900 +0 -0.7120 N( 572 GLN 38) 36.12300100 +0 -2.66700000 +0 47.32600000 +0 -0.5052 H( 573 GLN* 38) 35.49116131 +1 -6.30290691 +1 50.27132890 +1 0.3153 H( 574 GLN* 38) 37.50268448 +1 -4.39059108 +1 49.11692456 +1 0.2062 H( 575 GLN 38) 34.94400460 +1 -3.77818357 +1 50.77707469 +1 0.1837 H( 576 GLN 38) 35.93953525 +1 -2.66329672 +1 49.85633917 +1 0.1786 H( 577 GLN 38) 34.20913062 +1 -4.99730914 +1 48.68026917 +1 0.1789 H( 578 GLN 38) 33.75630964 +1 -3.30130414 +1 48.69767542 +1 0.1884 H( 579 GLN 38) 36.62393214 +1 -2.35419024 +1 46.48182039 +1 0.2999 H( 580 GLN 38) 36.12530185 +1 -1.95411597 +1 48.07151838 +1 0.3129 N( 581 ALA* 39) 37.54000100 +0 -5.49700000 +0 52.05500000 +0 -0.4103 C( 582 ALA* 39) 38.09800000 +0 -5.32900000 +0 53.38100100 +0 -0.0531 C( 583 ALA* 39) 39.57300200 +0 -5.68800000 +0 53.43999900 +0 0.5724 O( 584 ALA* 39) 40.06800100 +0 -6.48600000 +0 52.66700000 +0 -0.6253 C( 585 ALA 39) 37.31700100 +0 -6.25000000 +0 54.34700000 +0 -0.4954 H( 586 ALA* 39) 37.44793632 +1 -6.47860426 +1 51.74532574 +1 0.3057 H( 587 ALA* 39) 37.94069521 +1 -4.24876166 +1 53.70550912 +1 0.1927 H( 588 ALA 39) 36.25163555 +1 -5.98566414 +1 54.35905777 +1 0.1697 H( 589 ALA 39) 37.40682155 +1 -7.30826254 +1 54.06942668 +1 0.1689 H( 590 ALA 39) 37.68587177 +1 -6.14584830 +1 55.37845433 +1 0.1823 N( 591 GLU* 40) 40.17900100 +0 -5.15500000 +0 54.49900100 +0 -0.4380 C( 592 GLU* 40) 41.51699800 +0 -5.56100000 +0 54.92400000 +0 -0.0788 C( 593 GLU* 40) 41.32600000 +0 -6.39100000 +0 56.21099900 +0 0.5436 O( 594 GLU* 40) 40.38700100 +0 -6.18300000 +0 56.97000100 +0 -0.6547 C( 595 GLU 40) 42.36999900 +0 -4.33700000 +0 55.27999900 +0 -0.2218 C( 596 GLU 40) 42.95600100 +0 -3.64100000 +0 54.04299900 +0 -0.4131 C( 597 GLU 40) 43.06399900 +0 -4.61600000 +0 52.87599900 +0 0.7306 O( 598 GLU 40) 43.70399900 +0 -5.67300000 +0 53.05899800 +0 -0.6787 O( 599 GLU 40) 42.50199900 +0 -4.32300000 +0 51.80300100 +0 -0.6784 H( 600 GLU* 40) 39.67631482 +1 -4.55438063 +1 55.17750929 +1 0.3113 H( 601 GLU* 40) 41.99959461 +1 -6.21876903 +1 54.13838293 +1 0.2024 H( 602 GLU 40) 41.78433718 +1 -3.60174771 +1 55.87510057 +1 0.1686 H( 603 GLU 40) 43.20864956 +1 -4.65323229 +1 55.94099862 +1 0.1608 H( 604 GLU 40) 42.32745612 +1 -2.77055454 +1 53.75253227 +1 0.1898 H( 605 GLU 40) 43.95972117 +1 -3.22709103 +1 54.26095289 +1 0.1825 N( 606 VAL* 41) 42.20299900 +0 -7.35400000 +0 56.43199900 +0 -0.4325 C( 607 VAL* 41) 42.05600000 +0 -8.17500000 +0 57.62900200 +0 -0.0980 C( 608 VAL* 41) 42.01300000 +0 -7.37100000 +0 58.89099900 +0 0.5758 O( 609 VAL* 41) 41.30300100 +0 -7.73200000 +0 59.84000000 +0 -0.6117 C( 610 VAL 41) 43.12099800 +0 -9.27600000 +0 57.67900100 +0 0.0078 C( 611 VAL 41) 44.47499800 +0 -8.70200000 +0 58.02500200 +0 -0.5255 C( 612 VAL 41) 42.73700000 +0 -10.41700000 +0 58.56300000 +0 -0.5097 H( 613 VAL* 41) 42.99410929 +1 -7.57095331 +1 55.77169256 +1 0.3352 H( 614 VAL* 41) 41.03385023 +1 -8.68820273 +1 57.57424886 +1 0.1912 H( 615 VAL 41) 43.19307366 +1 -9.69480399 +1 56.62233657 +1 0.1280 H( 616 VAL 41) 44.77000300 +1 -7.85965643 +1 57.38437149 +1 0.1605 H( 617 VAL 41) 44.53669095 +1 -8.36037515 +1 59.06815097 +1 0.1710 H( 618 VAL 41) 45.26938601 +1 -9.45616091 +1 57.91657643 +1 0.1698 H( 619 VAL 41) 41.86996688 +1 -10.97544283 +1 58.18869426 +1 0.1545 H( 620 VAL 41) 43.55926975 +1 -11.14559199 +1 58.66528365 +1 0.1773 H( 621 VAL 41) 42.49491996 +1 -10.09089001 +1 59.59168128 +1 0.1784 N( 622 THR* 42) 42.67400000 +0 -6.19300000 +0 58.94100200 +0 -0.4263 C( 623 THR* 42) 42.66299800 +0 -5.37300000 +0 60.11100000 +0 -0.1472 C( 624 THR* 42) 41.32600000 +0 -4.70400000 +0 60.38700100 +0 0.5672 O( 625 THR* 42) 41.15399900 +0 -4.17600000 +0 61.48500100 +0 -0.6479 C( 626 THR 42) 43.77000000 +0 -4.29800000 +0 60.13900000 +0 0.2409 O( 627 THR 42) 43.77299900 +0 -3.63800000 +0 58.84600100 +0 -0.6307 C( 628 THR 42) 45.14699900 +0 -5.01300000 +0 60.20800000 +0 -0.5434 H( 629 THR* 42) 43.31131268 +1 -5.87956061 +1 58.19404630 +1 0.2978 H( 630 THR* 42) 42.82614633 +1 -6.03712756 +1 61.03364793 +1 0.1981 H( 631 THR 42) 43.61846149 +1 -3.56160036 +1 60.95353335 +1 0.1419 H( 632 THR 42) 43.15964900 +1 -2.82432473 +1 58.86507787 +1 0.3561 H( 633 THR 42) 45.27146138 +1 -5.57479952 +1 61.14168424 +1 0.1808 H( 634 THR 42) 45.29286288 +1 -5.69710288 +1 59.36742660 +1 0.1688 H( 635 THR 42) 45.95158201 +1 -4.26805199 +1 60.15472339 +1 0.1797 N( 636 ASP* 43) 40.39899800 +0 -4.72300000 +0 59.42599900 +0 -0.4732 C( 637 ASP* 43) 39.07700000 +0 -4.13400000 +0 59.71799900 +0 0.0083 C( 638 ASP* 43) 38.35900100 +0 -4.96900000 +0 60.77100000 +0 0.5393 O( 639 ASP* 43) 37.44800200 +0 -4.47400000 +0 61.44699900 +0 -0.6433 C( 640 ASP 43) 38.24200100 +0 -4.13800000 +0 58.43700000 +0 -0.4538 C( 641 ASP 43) 38.74300000 +0 -3.19400000 +0 57.38299900 +0 0.6858 O( 642 ASP 43) 39.62900200 +0 -2.34700000 +0 57.67800100 +0 -0.5968 O( 643 ASP 43) 38.35300100 +0 -3.42300000 +0 56.21699900 +0 -0.5128 H( 644 ASP* 43) 40.53442318 +1 -5.14926752 +1 58.48784713 +1 0.3358 H( 645 ASP* 43) 39.19567654 +1 -3.07865773 +1 60.11257764 +1 0.2009 H( 646 ASP 43) 38.14927042 +1 -5.17107777 +1 58.02167023 +1 0.2115 H( 647 ASP 43) 37.19233227 +1 -3.81654415 +1 58.70151048 +1 0.2296 N( 648 LEU* 44) 38.75299800 +0 -6.22900000 +0 60.93700000 +0 -0.4332 C( 649 LEU* 44) 38.12799800 +0 -7.07600000 +0 61.92400000 +0 -0.0581 C( 650 LEU* 44) 38.44599900 +0 -6.58700000 +0 63.34000000 +0 0.5425 O( 651 LEU* 44) 37.72600200 +0 -6.90200000 +0 64.28900100 +0 -0.5699 C( 652 LEU 44) 38.53200100 +0 -8.52600000 +0 61.76599900 +0 -0.3485 C( 653 LEU 44) 38.13100100 +0 -9.18100000 +0 60.41199900 +0 0.0385 C( 654 LEU 44) 38.94100200 +0 -10.48100000 +0 60.25899900 +0 -0.4862 C( 655 LEU 44) 36.65700100 +0 -9.51900000 +0 60.44599900 +0 -0.5168 H( 656 LEU* 44) 39.52080810 +1 -6.67770996 +1 60.38773290 +1 0.3288 H( 657 LEU* 44) 36.99401993 +1 -6.99566631 +1 61.82197568 +1 0.1934 H( 658 LEU 44) 39.63685286 +1 -8.62489695 +1 61.89307129 +1 0.1802 H( 659 LEU 44) 38.09286060 +1 -9.11186555 +1 62.60490696 +1 0.1781 H( 660 LEU 44) 38.35951957 +1 -8.49418639 +1 59.56845212 +1 0.1063 H( 661 LEU 44) 40.01480848 +1 -10.25882865 +1 60.18598342 +1 0.1586 H( 662 LEU 44) 38.79156374 +1 -11.16346857 +1 61.10409270 +1 0.1690 H( 663 LEU 44) 38.66346880 +1 -11.01012591 +1 59.34355134 +1 0.1291 H( 664 LEU 44) 36.03247313 +1 -8.62262137 +1 60.57447639 +1 0.1647 H( 665 LEU 44) 36.32376891 +1 -9.99337971 +1 59.51641648 +1 0.1397 H( 666 LEU 44) 36.40458915 +1 -10.20245674 +1 61.26626715 +1 0.1591 N( 667 ASN* 45) 39.50099900 +0 -5.82400000 +0 63.49000200 +0 -0.4793 C( 668 ASN* 45) 39.93100000 +0 -5.33900000 +0 64.81099700 +0 0.0298 C( 669 ASN* 45) 38.93100000 +0 -4.33800000 +0 65.37200200 +0 0.5330 O( 670 ASN* 45) 39.01200100 +0 -4.08300000 +0 66.60399600 +0 -0.5869 C( 671 ASN 45) 41.27199900 +0 -4.60500000 +0 64.67299700 +0 -0.4761 C( 672 ASN 45) 42.46099900 +0 -5.52000000 +0 64.56300400 +0 0.6615 O( 673 ASN 45) 42.49100100 +0 -6.60600000 +0 65.13300300 +0 -0.6584 N( 674 ASN 45) 43.49800100 +0 -5.06800000 +0 63.86000100 +0 -0.5675 H( 675 ASN* 45) 40.13854229 +1 -5.55232287 +1 62.72010412 +1 0.3053 H( 676 ASN* 45) 40.01840324 +1 -6.19931006 +1 65.54610186 +1 0.2049 H( 677 ASN 45) 41.22766064 +1 -3.85908234 +1 63.84880402 +1 0.1904 H( 678 ASN 45) 41.44216088 +1 -4.00001410 +1 65.61781119 +1 0.2449 H( 679 ASN 45) 44.37118917 +1 -5.60186791 +1 63.80596118 +1 0.2952 H( 680 ASN 45) 43.51451671 +1 -4.16904324 +1 63.37297393 +1 0.3030 N( 681 ASP* 46) 38.16000000 +0 -3.69900000 +0 64.54799700 +0 -0.4282 C( 682 ASP* 46) 37.27999900 +0 -2.61300000 +0 64.87200200 +0 -0.0382 C( 683 ASP* 46) 36.05899800 +0 -2.98600000 +0 65.66700000 +0 0.5627 O( 684 ASP* 46) 35.30099900 +0 -2.12000000 +0 66.14399700 +0 -0.6869 C( 685 ASP 46) 36.86700100 +0 -1.87300000 +0 63.59600100 +0 -0.4032 C( 686 ASP 46) 38.03099800 +0 -1.15200000 +0 62.92499900 +0 0.6598 O( 687 ASP 46) 39.02199900 +0 -0.86100000 +0 63.59800000 +0 -0.6058 O( 688 ASP 46) 37.91799900 +0 -0.87400000 +0 61.71300100 +0 -0.4753 H( 689 ASP* 46) 38.10726165 +1 -3.97337619 +1 63.53993798 +1 0.3046 H( 690 ASP* 46) 37.86561812 +1 -1.87065720 +1 65.53112877 +1 0.2194 H( 691 ASP 46) 36.35963658 +1 -2.56116897 +1 62.87653105 +1 0.1998 H( 692 ASP 46) 36.07842598 +1 -1.10976901 +1 63.82674179 +1 0.2199 N( 693 TYR* 47) 35.78599900 +0 -4.26900000 +0 65.82800300 +0 -0.3748 C( 694 TYR* 47) 34.58400000 +0 -4.70500000 +0 66.55999800 +0 -0.0314 C( 695 TYR* 47) 34.93600100 +0 -5.71700000 +0 67.62999700 +0 0.4885 O( 696 TYR* 47) 35.90200000 +0 -6.50300000 +0 67.45400200 +0 -0.5526 C( 697 TYR 47) 33.68100000 +0 -5.47900000 +0 65.54000100 +0 -0.3138 C( 698 TYR 47) 33.24700200 +0 -4.56800000 +0 64.43000000 +0 -0.0397 C( 699 TYR 47) 32.13399900 +0 -3.76100000 +0 64.59700000 +0 -0.0700 C( 700 TYR 47) 33.98600000 +0 -4.43500000 +0 63.26599900 +0 -0.0787 C( 701 TYR 47) 31.73500100 +0 -2.88500000 +0 63.62200200 +0 -0.3565 C( 702 TYR 47) 33.59800000 +0 -3.56000000 +0 62.28200100 +0 -0.3273 C( 703 TYR 47) 32.45500200 +0 -2.80000000 +0 62.44699900 +0 0.3253 O( 704 TYR 47) 32.06499900 +0 -1.94200000 +0 61.46400100 +0 -0.5658 H( 705 TYR* 47) 36.43322118 +1 -5.05517528 +1 65.60051465 +1 0.3290 H( 706 TYR* 47) 34.03191785 +1 -3.80947119 +1 66.96720379 +1 0.1919 H( 707 TYR 47) 34.23255836 +1 -6.36366072 +1 65.15117245 +1 0.1805 H( 708 TYR 47) 32.79767782 +1 -5.90565991 +1 66.06778970 +1 0.1803 H( 709 TYR 47) 31.54238851 +1 -3.83704976 +1 65.52322103 +1 0.1703 H( 710 TYR 47) 34.90203648 +1 -5.02352051 +1 63.12703539 +1 0.1633 H( 711 TYR 47) 30.85122978 +1 -2.26262992 +1 63.77492748 +1 0.1676 H( 712 TYR 47) 34.18964610 +1 -3.44095027 +1 61.36683528 +1 0.1895 H( 713 TYR 47) 31.48058919 +1 -1.17336875 +1 61.81952499 +1 0.3740 N( 714 GLN* 48) 34.13100100 +0 -5.82500000 +0 68.65599800 +0 -0.4187 C( 715 GLN* 48) 34.21600000 +0 -6.86000000 +0 69.61799600 +0 -0.0926 C( 716 GLN* 48) 33.21699900 +0 -7.98300000 +0 69.37100200 +0 0.5897 O( 717 GLN* 48) 33.40700100 +0 -9.08100000 +0 69.86299900 +0 -0.6298 C( 718 GLN 48) 34.24900100 +0 -6.44300000 +0 71.07199900 +0 -0.2570 C( 719 GLN 48) 33.00099900 +0 -5.88300000 +0 71.62000300 +0 -0.4240 C( 720 GLN 48) 32.99200100 +0 -5.58000000 +0 73.11000100 +0 0.6253 O( 721 GLN 48) 33.54600100 +0 -6.28400000 +0 73.95600100 +0 -0.6542 N( 722 GLN 48) 32.26699800 +0 -4.53000000 +0 73.45900000 +0 -0.5427 H( 723 GLN* 48) 33.41913259 +1 -5.08251768 +1 68.85347030 +1 0.3106 H( 724 GLN* 48) 35.23863522 +1 -7.39524933 +1 69.44927403 +1 0.2179 H( 725 GLN 48) 34.55827333 +1 -7.33961057 +1 71.67886086 +1 0.1854 H( 726 GLN 48) 35.10386420 +1 -5.73324750 +1 71.22239657 +1 0.1770 H( 727 GLN 48) 32.69790246 +1 -4.96986199 +1 71.04337832 +1 0.1878 H( 728 GLN 48) 32.14981722 +1 -6.59938440 +1 71.45511742 +1 0.1902 H( 729 GLN 48) 32.19069916 +1 -4.23133749 +1 74.42914509 +1 0.2841 H( 730 GLN 48) 31.80723551 +1 -3.91112110 +1 72.78492937 +1 0.3018 N( 731 TYR* 49) 32.16899900 +0 -7.68500000 +0 68.63600200 +0 -0.4388 C( 732 TYR* 49) 31.12500000 +0 -8.59700000 +0 68.24199700 +0 -0.0276 C( 733 TYR* 49) 31.14600000 +0 -8.72500000 +0 66.71499600 +0 0.5503 O( 734 TYR* 49) 30.93300100 +0 -7.77300000 +0 65.96600300 +0 -0.6749 C( 735 TYR 49) 29.73600000 +0 -8.08900000 +0 68.66300200 +0 -0.3205 C( 736 TYR 49) 29.62500000 +0 -7.84400000 +0 70.17400400 +0 -0.0372 C( 737 TYR 49) 30.26899900 +0 -8.60600000 +0 71.10199700 +0 -0.1055 C( 738 TYR 49) 28.85199900 +0 -6.76400000 +0 70.59100300 +0 -0.0865 C( 739 TYR 49) 30.19100000 +0 -8.38500000 +0 72.49299600 +0 -0.2542 C( 740 TYR 49) 28.75200100 +0 -6.53600000 +0 71.96499600 +0 -0.3660 C( 741 TYR 49) 29.38100100 +0 -7.32200000 +0 72.85600300 +0 0.3448 O( 742 TYR 49) 29.25600100 +0 -7.00400000 +0 74.20900000 +0 -0.5724 H( 743 TYR* 49) 31.95764180 +1 -6.69375327 +1 68.37037379 +1 0.3179 H( 744 TYR* 49) 31.31032507 +1 -9.61441485 +1 68.72806482 +1 0.2025 H( 745 TYR 49) 29.49135554 +1 -7.15471539 +1 68.11402787 +1 0.1694 H( 746 TYR 49) 28.96317631 +1 -8.83433546 +1 68.37671525 +1 0.1678 H( 747 TYR 49) 30.92029434 +1 -9.43486362 +1 70.78178191 +1 0.1657 H( 748 TYR 49) 28.32858689 +1 -6.11693136 +1 69.88874532 +1 0.1551 H( 749 TYR 49) 30.76417717 +1 -8.98647588 +1 73.19487570 +1 0.1940 H( 750 TYR 49) 28.13345865 +1 -5.69453345 +1 72.30563512 +1 0.1807 H( 751 TYR 49) 28.59352353 +1 -6.23690599 +1 74.36987646 +1 0.3651 N( 752 LEU* 50) 31.38699900 +0 -9.95500000 +0 66.26499900 +0 -0.4219 C( 753 LEU* 50) 31.52000000 +0 -10.16700000 +0 64.81099700 +0 -0.0384 C( 754 LEU* 50) 30.55800100 +0 -11.26500000 +0 64.36799600 +0 0.5683 O( 755 LEU* 50) 30.29100000 +0 -12.24000000 +0 65.08499900 +0 -0.6630 C( 756 LEU 50) 32.94500000 +0 -10.68000000 +0 64.53199800 +0 -0.3499 C( 757 LEU 50) 34.10699800 +0 -9.68600000 +0 64.69000200 +0 0.0594 C( 758 LEU 50) 35.41700000 +0 -10.48200000 +0 64.64700300 +0 -0.5388 C( 759 LEU 50) 34.08100100 +0 -8.68200000 +0 63.51400000 +0 -0.5049 H( 760 LEU* 50) 31.58426901 +1 -10.78014606 +1 66.87733216 +1 0.3439 H( 761 LEU* 50) 31.33494807 +1 -9.19295698 +1 64.25543752 +1 0.2110 H( 762 LEU 50) 33.13687782 +1 -11.55567467 +1 65.19492170 +1 0.1535 H( 763 LEU 50) 32.97889394 +1 -11.09376349 +1 63.50140122 +1 0.1423 H( 764 LEU 50) 34.02502223 +1 -9.13658647 +1 65.65616788 +1 0.1336 H( 765 LEU 50) 35.53011232 +1 -11.05015233 +1 63.72075398 +1 0.1508 H( 766 LEU 50) 36.27616459 +1 -9.79613534 +1 64.73164362 +1 0.1851 H( 767 LEU 50) 35.49420398 +1 -11.17581584 +1 65.49171072 +1 0.1562 H( 768 LEU 50) 34.21151459 +1 -9.17794631 +1 62.54959684 +1 0.1440 H( 769 LEU 50) 33.12931154 +1 -8.13922247 +1 63.48456169 +1 0.1510 H( 770 LEU 50) 34.88819131 +1 -7.94607520 +1 63.62559043 +1 0.1634 N( 771 ILE* 51) 30.05100100 +0 -11.10500000 +0 63.14300200 +0 -0.4366 C( 772 ILE* 51) 29.31399900 +0 -12.13800000 +0 62.45399900 +0 -0.0897 C( 773 ILE* 51) 30.02700000 +0 -12.44800000 +0 61.12699900 +0 0.5672 O( 774 ILE* 51) 30.26800000 +0 -11.49700000 +0 60.38100100 +0 -0.6938 C( 775 ILE 51) 27.84199900 +0 -11.81900000 +0 62.22499800 +0 -0.0405 C( 776 ILE 51) 27.11000100 +0 -11.63600000 +0 63.57099900 +0 -0.2462 C( 777 ILE 51) 27.18800000 +0 -12.87400000 +0 61.37300100 +0 -0.5118 C( 778 ILE 51) 25.68499900 +0 -11.15700000 +0 63.38499800 +0 -0.4668 H( 779 ILE* 51) 30.25912257 +1 -10.25250612 +1 62.56925566 +1 0.3265 H( 780 ILE* 51) 29.34493252 +1 -13.08110867 +1 63.11025678 +1 0.1845 H( 781 ILE 51) 27.77919506 +1 -10.83578249 +1 61.67492639 +1 0.1388 H( 782 ILE 51) 27.12363462 +1 -12.58740456 +1 64.14457001 +1 0.1376 H( 783 ILE 51) 27.66775234 +1 -10.91252254 +1 64.20364044 +1 0.1501 H( 784 ILE 51) 27.61135061 +1 -12.91519600 +1 60.36154899 +1 0.1454 H( 785 ILE 51) 27.27552182 +1 -13.87649475 +1 61.81476540 +1 0.1586 H( 786 ILE 51) 26.11287964 +1 -12.67443166 +1 61.25373937 +1 0.1602 H( 787 ILE 51) 25.05776315 +1 -11.90890573 +1 62.89158663 +1 0.1388 H( 788 ILE 51) 25.20840540 +1 -10.94160875 +1 64.35235709 +1 0.1542 H( 789 ILE 51) 25.62919279 +1 -10.23821190 +1 62.78779366 +1 0.1553 N( 790 ILE* 52) 30.39300000 +0 -13.67400000 +0 60.93500100 +0 -0.4177 C( 791 ILE* 52) 31.18800000 +0 -14.11900000 +0 59.76100200 +0 -0.0945 C( 792 ILE* 52) 30.24799900 +0 -14.92900000 +0 58.86800000 +0 0.5745 O( 793 ILE* 52) 29.70800000 +0 -15.92900000 +0 59.25600100 +0 -0.6266 C( 794 ILE 52) 32.34999800 +0 -14.99900000 +0 60.27899900 +0 -0.0574 C( 795 ILE 52) 33.25000000 +0 -14.26500000 +0 61.27600100 +0 -0.2375 C( 796 ILE 52) 33.18000000 +0 -15.60200000 +0 59.14600000 +0 -0.5017 C( 797 ILE 52) 33.92400000 +0 -13.02800000 +0 60.74300000 +0 -0.4545 H( 798 ILE* 52) 30.18249548 +1 -14.44573950 +1 61.62222781 +1 0.3406 H( 799 ILE* 52) 31.59994188 +1 -13.21353556 +1 59.22096023 +1 0.1968 H( 800 ILE 52) 31.87750627 +1 -15.86272930 +1 60.83630652 +1 0.1503 H( 801 ILE 52) 32.65572286 +1 -14.00890982 +1 62.18260918 +1 0.1524 H( 802 ILE 52) 34.01638617 +1 -14.98531025 +1 61.64401887 +1 0.1482 H( 803 ILE 52) 32.58294476 +1 -16.24486062 +1 58.49274625 +1 0.1445 H( 804 ILE 52) 33.64022026 +1 -14.82863128 +1 58.51711602 +1 0.1609 H( 805 ILE 52) 34.00188950 +1 -16.20862781 +1 59.54881902 +1 0.1649 H( 806 ILE 52) 33.19840293 +1 -12.24766235 +1 60.47617302 +1 0.1391 H( 807 ILE 52) 34.59636116 +1 -12.58646258 +1 61.49315169 +1 0.1607 H( 808 ILE 52) 34.52330618 +1 -13.23488106 +1 59.84771828 +1 0.1462 N( 809 GLY* 53) 30.13500000 +0 -14.45700000 +0 57.61399800 +0 -0.4353 C( 810 GLY* 53) 29.29200000 +0 -15.15400000 +0 56.65300000 +0 -0.2736 C( 811 GLY* 53) 30.09000000 +0 -15.65200000 +0 55.46799900 +0 0.5900 O( 812 GLY* 53) 30.83300000 +0 -14.88000000 +0 54.83000200 +0 -0.6741 H( 813 GLY* 53) 30.61218651 +1 -13.59438261 +1 57.27454858 +1 0.3381 H( 814 GLY* 53) 28.72520511 +1 -15.99276664 +1 57.17482404 +1 0.2377 H( 815 GLY* 53) 28.48382913 +1 -14.47497931 +1 56.27506964 +1 0.1790 N( 816 CYS* 54) 29.89800100 +0 -16.91799900 +0 55.14799900 +0 -0.4469 C( 817 CYS* 54) 30.63500000 +0 -17.47200000 +0 53.98300200 +0 -0.0614 C( 818 CYS* 54) 29.89500000 +0 -18.65399900 +0 53.37200200 +0 0.5558 O( 819 CYS* 54) 29.57000000 +0 -19.60000000 +0 54.09600100 +0 -0.6336 C( 820 CYS 54) 32.01699800 +0 -17.87700100 +0 54.46300100 +0 -0.3163 S( 821 CYS 54) 33.18500100 +0 -18.28400000 +0 53.11100000 +0 -0.2989 H( 822 CYS* 54) 29.38879692 +1 -17.59873511 +1 55.75554585 +1 0.3396 H( 823 CYS* 54) 30.75568502 +1 -16.61818951 +1 53.24162119 +1 0.1900 H( 824 CYS 54) 32.50415477 +1 -17.03277187 +1 55.01644309 +1 0.2200 H( 825 CYS 54) 31.96914507 +1 -18.72769617 +1 55.17640647 +1 0.1879 H( 826 CYS 54) 32.50788628 +1 -19.29922227 +1 52.50314211 +1 0.2322 N( 827 PRO* 55) 29.75300000 +0 -18.65900000 +0 52.05500000 +0 -0.3390 C( 828 PRO* 55) 29.24700000 +0 -19.87400100 +0 51.38499800 +0 -0.0309 C( 829 PRO* 55) 30.38200000 +0 -20.85199900 +0 51.10100200 +0 0.5566 O( 830 PRO* 55) 31.57200100 +0 -20.49099900 +0 51.03900100 +0 -0.6239 C( 831 PRO 55) 28.75700000 +0 -19.31200000 +0 50.03500000 +0 -0.3272 C( 832 PRO 55) 29.61400000 +0 -18.13299900 +0 49.76599900 +0 -0.2594 C( 833 PRO 55) 30.01400000 +0 -17.55400100 +0 51.09899900 +0 -0.0922 H( 834 PRO* 55) 28.42294359 +1 -20.35696994 +1 51.98377881 +1 0.1912 H( 835 PRO 55) 28.77623875 +1 -20.08252612 +1 49.24076625 +1 0.1549 H( 836 PRO 55) 27.67898404 +1 -19.03624541 +1 50.13281817 +1 0.1724 H( 837 PRO 55) 30.53091215 +1 -18.43355980 +1 49.20054985 +1 0.1517 H( 838 PRO 55) 29.11545692 +1 -17.35728502 +1 49.15533376 +1 0.1100 H( 839 PRO 55) 31.08853933 +1 -17.25052513 +1 51.13287791 +1 0.1662 H( 840 PRO 55) 29.41257057 +1 -16.64769014 +1 51.37452616 +1 0.1822 N( 841 THR* 56) 30.04700100 +0 -22.11200000 +0 50.93600100 +0 -0.4122 C( 842 THR* 56) 31.02000000 +0 -23.14699900 +0 50.56600200 +0 -0.1683 C( 843 THR* 56) 30.91400000 +0 -23.39200000 +0 49.04700100 +0 0.5556 O( 844 THR* 56) 29.85300100 +0 -23.62800000 +0 48.49399900 +0 -0.6807 C( 845 THR 56) 30.70900000 +0 -24.44500000 +0 51.30699900 +0 0.2551 O( 846 THR 56) 30.67900100 +0 -24.18199900 +0 52.70399900 +0 -0.6144 C( 847 THR 56) 31.81900000 +0 -25.49700000 +0 51.09400200 +0 -0.5652 H( 848 THR* 56) 29.06070317 +1 -22.43169398 +1 50.95147042 +1 0.3023 H( 849 THR* 56) 32.06446580 +1 -22.78302850 +1 50.85257879 +1 0.2358 H( 850 THR 56) 29.70636733 +1 -24.84843298 +1 51.01715554 +1 0.1285 H( 851 THR 56) 29.88059764 +1 -23.63865990 +1 52.97580395 +1 0.3624 H( 852 THR 56) 32.80221105 +1 -25.10530436 +1 51.39349198 +1 0.1991 H( 853 THR 56) 31.59936222 +1 -26.38817225 +1 51.69935387 +1 0.1903 H( 854 THR 56) 31.88445796 +1 -25.80869386 +1 50.04754336 +1 0.1699 N( 855 TRP* 57) 32.07400100 +0 -23.37500000 +0 48.41099900 +0 -0.3901 C( 856 TRP* 57) 32.22200000 +0 -23.52599900 +0 46.99399900 +0 -0.0602 C( 857 TRP* 57) 33.17699800 +0 -24.64699900 +0 46.62699900 +0 0.5663 O( 858 TRP* 57) 34.01100200 +0 -25.12299900 +0 47.38900000 +0 -0.5727 C( 859 TRP 57) 32.71699900 +0 -22.16700000 +0 46.40200000 +0 -0.2873 C( 860 TRP 57) 31.57900000 +0 -21.22200000 +0 46.18399800 +0 -0.0076 C( 861 TRP 57) 31.09400000 +0 -20.25600100 +0 47.01699800 +0 -0.1281 C( 862 TRP 57) 30.71900000 +0 -21.23399900 +0 45.06200000 +0 -0.0817 N( 863 TRP 57) 29.99099900 +0 -19.63600000 +0 46.46900200 +0 -0.2984 C( 864 TRP 57) 29.75700000 +0 -20.23100100 +0 45.22700100 +0 0.0728 C( 865 TRP 57) 30.69700100 +0 -21.99500100 +0 43.87200200 +0 -0.0764 C( 866 TRP 57) 28.76000000 +0 -19.95800000 +0 44.30400100 +0 -0.2796 C( 867 TRP 57) 29.71600000 +0 -21.69599900 +0 42.94900100 +0 -0.1964 C( 868 TRP 57) 28.77599900 +0 -20.70700100 +0 43.13600200 +0 -0.0663 H( 869 TRP* 57) 32.99147413 +1 -23.30535258 +1 48.94527241 +1 0.3497 H( 870 TRP* 57) 31.20108077 +1 -23.74852633 +1 46.53952518 +1 0.1820 H( 871 TRP 57) 33.48134648 +1 -21.71324023 +1 47.07541963 +1 0.1834 H( 872 TRP 57) 33.27370302 +1 -22.31411898 +1 45.44728400 +1 0.1851 H( 873 TRP 57) 31.49699005 +1 -19.95852227 +1 47.98372563 +1 0.1922 H( 874 TRP 57) 29.21813106 +1 -19.35255533 +1 47.06449917 +1 0.2339 H( 875 TRP 57) 31.44392482 +1 -22.76317569 +1 43.69523990 +1 0.1473 H( 876 TRP 57) 28.01483094 +1 -19.18016634 +1 44.46136243 +1 0.1679 H( 877 TRP 57) 29.69167726 +1 -22.26960674 +1 42.01276106 +1 0.1527 H( 878 TRP 57) 28.02143537 +1 -20.51327528 +1 42.37009262 +1 0.1401 N( 879 ASN* 58) 33.05199800 +0 -25.11400000 +0 45.38000100 +0 -0.4820 C( 880 ASN* 58) 34.00700000 +0 -26.03000100 +0 44.74499900 +0 -0.0011 C( 881 ASN* 58) 34.20700100 +0 -27.29900000 +0 45.56499900 +0 0.5152 O( 882 ASN* 58) 35.41799900 +0 -27.68800000 +0 45.59999800 +0 -0.6027 C( 883 ASN 58) 35.35699800 +0 -25.33000000 +0 44.56499900 +0 -0.4640 C( 884 ASN 58) 36.17800100 +0 -25.69899900 +0 43.37599900 +0 0.6153 O( 885 ASN 58) 37.43800000 +0 -25.70299900 +0 43.38800000 +0 -0.5634 N( 886 ASN 58) 35.54200000 +0 -26.02199900 +0 42.27100000 +0 -0.5426 H( 887 ASN* 58) 32.38253535 +1 -24.69090576 +1 44.72970260 +1 0.2688 H( 888 ASN* 58) 33.56962458 +1 -26.33539490 +1 43.75116409 +1 0.1431 H( 889 ASN 58) 35.24269932 +1 -24.21917224 +1 44.56685108 +1 0.1976 H( 890 ASN 58) 36.00017564 +1 -25.51016024 +1 45.47936849 +1 0.2522 H( 891 ASN 58) 36.06711993 +1 -26.31139020 +1 41.44364042 +1 0.2915 H( 892 ASN 58) 34.54287218 +1 -26.06302606 +1 42.16054543 +1 0.2500 N( 893 ILE* 59) 33.23300200 +0 -27.87700100 +0 46.17900100 +0 -0.3690 C( 894 ILE* 59) 33.41099900 +0 -29.05900000 +0 46.99800100 +0 -0.1040 C( 895 ILE* 59) 34.26599900 +0 -28.83799900 +0 48.19300100 +0 0.5583 O( 896 ILE* 59) 35.40000200 +0 -29.30900000 +0 48.32600000 +0 -0.5107 C( 897 ILE 59) 33.77700000 +0 -30.30100100 +0 46.18000000 +0 -0.0503 C( 898 ILE 59) 33.03300100 +0 -30.40500100 +0 44.86800000 +0 -0.2463 C( 899 ILE 59) 33.56499900 +0 -31.54900000 +0 47.02800000 +0 -0.4972 C( 900 ILE 59) 33.51800200 +0 -31.51400000 +0 43.92699800 +0 -0.4622 H( 901 ILE* 59) 32.27031079 +1 -27.50022103 +1 46.18362226 +1 0.2980 H( 902 ILE* 59) 32.35253787 +1 -29.28538143 +1 47.40767145 +1 0.1895 H( 903 ILE 59) 34.88522793 +1 -30.22403246 +1 45.95571839 +1 0.1741 H( 904 ILE 59) 31.94895756 +1 -30.55717466 +1 45.05942841 +1 0.1243 H( 905 ILE 59) 33.09736871 +1 -29.45283619 +1 44.30061419 +1 0.1227 H( 906 ILE 59) 32.53539224 +1 -31.67139386 +1 47.37686203 +1 0.1413 H( 907 ILE 59) 33.81850952 +1 -32.46002227 +1 46.46665206 +1 0.1728 H( 908 ILE 59) 34.21730285 +1 -31.54932580 +1 47.91489585 +1 0.1749 H( 909 ILE 59) 34.56166708 +1 -31.35790482 +1 43.62900314 +1 0.1560 H( 910 ILE 59) 33.45855931 +1 -32.50092210 +1 44.40264170 +1 0.1572 H( 911 ILE 59) 32.90712761 +1 -31.54377417 +1 43.01839451 +1 0.1490 N( 912 GLY* 60) 33.72800100 +0 -28.12800000 +0 49.22000100 +0 -0.4624 C( 913 GLY* 60) 34.41500100 +0 -27.97100100 +0 50.46400100 +0 -0.2561 C( 914 GLY* 60) 35.40300000 +0 -26.87200000 +0 50.62599900 +0 0.5583 O( 915 GLY* 60) 36.19699900 +0 -26.86200000 +0 51.60200100 +0 -0.6527 H( 916 GLY* 60) 32.83104334 +1 -27.63468385 +1 49.12731956 +1 0.2871 H( 917 GLY* 60) 33.66669681 +1 -27.90231512 +1 51.30168555 +1 0.1794 H( 918 GLY* 60) 34.99842455 +1 -28.93369971 +1 50.66821926 +1 0.2238 N( 919 GLU* 61) 35.46500000 +0 -25.91300000 +0 49.71400100 +0 -0.3880 C( 920 GLU* 61) 36.39600000 +0 -24.82700000 +0 49.72000100 +0 -0.0724 C( 921 GLU* 61) 35.79999900 +0 -23.52199900 +0 50.14199800 +0 0.5750 O( 922 GLU* 61) 34.57799900 +0 -23.27000000 +0 50.09999800 +0 -0.6819 C( 923 GLU 61) 37.11200000 +0 -24.76000000 +0 48.35200100 +0 -0.2409 C( 924 GLU 61) 37.68999900 +0 -26.11500000 +0 47.94200100 +0 -0.3924 C( 925 GLU 61) 38.41799900 +0 -26.16500100 +0 46.62099800 +0 0.6740 O( 926 GLU 61) 38.60500000 +0 -25.14500000 +0 45.97499800 +0 -0.6375 O( 927 GLU 61) 38.75999800 +0 -27.30100100 +0 46.15000200 +0 -0.5023 H( 928 GLU* 61) 34.77545658 +1 -25.87168446 +1 48.93618119 +1 0.3093 H( 929 GLU* 61) 37.21499124 +1 -25.08743944 +1 50.49633370 +1 0.2178 H( 930 GLU 61) 36.40181155 +1 -24.41422477 +1 47.56709081 +1 0.1625 H( 931 GLU 61) 37.92326399 +1 -24.00038967 +1 48.37966199 +1 0.1675 H( 932 GLU 61) 38.36364196 +1 -26.50459858 +1 48.73924595 +1 0.1858 H( 933 GLU 61) 36.87662855 +1 -26.89010284 +1 47.87918164 +1 0.2142 N( 934 LEU* 62) 36.66899900 +0 -22.59300000 +0 50.59400200 +0 -0.4424 C( 935 LEU* 62) 36.21799900 +0 -21.23300000 +0 50.89600000 +0 -0.0201 C( 936 LEU* 62) 35.84999800 +0 -20.46800000 +0 49.66600000 +0 0.5656 O( 937 LEU* 62) 36.48000000 +0 -20.58499900 +0 48.58800100 +0 -0.6555 C( 938 LEU 62) 37.33800100 +0 -20.49000000 +0 51.64799900 +0 -0.3482 C( 939 LEU 62) 37.73300200 +0 -21.04999900 +0 53.02000000 +0 0.0450 C( 940 LEU 62) 38.88200000 +0 -20.18499900 +0 53.58700200 +0 -0.5145 C( 941 LEU 62) 36.56000100 +0 -20.97300000 +0 53.97499800 +0 -0.5207 H( 942 LEU* 62) 37.70326851 +1 -22.74633821 +1 50.59056426 +1 0.3343 H( 943 LEU* 62) 35.31373719 +1 -21.32614372 +1 51.58173327 +1 0.1734 H( 944 LEU 62) 38.24329579 +1 -20.44493166 +1 50.99903669 +1 0.1647 H( 945 LEU 62) 37.04112907 +1 -19.42240483 +1 51.76185201 +1 0.1661 H( 946 LEU 62) 38.07890100 +1 -22.10537061 +1 52.91701349 +1 0.1194 H( 947 LEU 62) 39.76927843 +1 -20.21182178 +1 52.94697098 +1 0.1576 H( 948 LEU 62) 38.57997767 +1 -19.14070812 +1 53.71594558 +1 0.1562 H( 949 LEU 62) 39.18980270 +1 -20.54839272 +1 54.57846509 +1 0.1785 H( 950 LEU 62) 35.70571592 +1 -21.56787845 +1 53.63549059 +1 0.1470 H( 951 LEU 62) 36.82584010 +1 -21.35128938 +1 54.97518365 +1 0.1740 H( 952 LEU 62) 36.20550307 +1 -19.94481326 +1 54.12605618 +1 0.1645 N( 953 GLN* 63) 34.87400100 +0 -19.54500000 +0 49.80500000 +0 -0.4383 C( 954 GLN* 63) 34.62200200 +0 -18.47400100 +0 48.84800000 +0 -0.0352 C( 955 GLN* 63) 35.91000000 +0 -17.69800000 +0 48.65599800 +0 0.5552 O( 956 GLN* 63) 36.70500200 +0 -17.52800000 +0 49.58000200 +0 -0.6373 C( 957 GLN 63) 33.49800100 +0 -17.60199900 +0 49.34999800 +0 -0.2681 C( 958 GLN 63) 32.99599800 +0 -16.54100000 +0 48.41899900 +0 -0.4137 C( 959 GLN 63) 33.75899900 +0 -15.26900000 +0 48.45200000 +0 0.6026 O( 960 GLN 63) 34.40000200 +0 -14.92600000 +0 49.48000000 +0 -0.6859 N( 961 GLN 63) 33.83900100 +0 -14.54200000 +0 47.35699800 +0 -0.5318 H( 962 GLN* 63) 34.43178270 +1 -19.41727713 +1 50.72800834 +1 0.2975 H( 963 GLN* 63) 34.33708119 +1 -18.95140609 +1 47.84836905 +1 0.1893 H( 964 GLN 63) 32.64461391 +1 -18.25776173 +1 49.65401289 +1 0.1525 H( 965 GLN 63) 33.82209032 +1 -17.10021303 +1 50.30807235 +1 0.1955 H( 966 GLN 63) 32.97067341 +1 -16.94904718 +1 47.36853884 +1 0.2011 H( 967 GLN 63) 31.93320107 +1 -16.30569454 +1 48.66087555 +1 0.1605 H( 968 GLN 63) 34.29898664 +1 -13.62110220 +1 47.35168431 +1 0.3075 H( 969 GLN 63) 33.46222433 +1 -14.82268813 +1 46.44371325 +1 0.3070 N( 970 SER* 64) 36.22300000 +0 -17.30100100 +0 47.41700000 +0 -0.4369 C( 971 SER* 64) 37.49800100 +0 -16.73500100 +0 47.06700100 +0 -0.1594 C( 972 SER* 64) 38.03300100 +0 -15.61200000 +0 47.84299900 +0 0.6109 O( 973 SER* 64) 39.19400000 +0 -15.52500000 +0 48.22499800 +0 -0.6131 C( 974 SER 64) 37.60400000 +0 -16.50400000 +0 45.55400100 +0 0.0145 O( 975 SER 64) 36.73300200 +0 -15.44300000 +0 45.18500100 +0 -0.5860 H( 976 SER* 64) 35.53152939 +1 -17.39303593 +1 46.62601293 +1 0.3287 H( 977 SER* 64) 38.27248909 +1 -17.58996544 +1 47.26113624 +1 0.2238 H( 978 SER 64) 38.65052923 +1 -16.27953888 +1 45.25193416 +1 0.1730 H( 979 SER 64) 37.24171753 +1 -17.37777905 +1 44.97400202 +1 0.1627 H( 980 SER 64) 37.18391745 +1 -14.56328447 +1 45.31917947 +1 0.3495 N( 981 ASP* 65) 37.15900000 +0 -14.62100000 +0 48.15100100 +0 -0.4779 C( 982 ASP* 65) 37.60800200 +0 -13.44600000 +0 48.91500100 +0 0.0157 C( 983 ASP* 65) 37.93800000 +0 -13.83300000 +0 50.34800000 +0 0.5567 O( 984 ASP* 65) 38.90100100 +0 -13.36100000 +0 50.93399800 +0 -0.6234 C( 985 ASP 65) 36.54800000 +0 -12.35200000 +0 48.86899900 +0 -0.4738 C( 986 ASP 65) 36.26200100 +0 -11.87500000 +0 47.45000100 +0 0.7041 O( 987 ASP 65) 37.23600000 +0 -11.51000000 +0 46.75899900 +0 -0.6390 O( 988 ASP 65) 35.09199900 +0 -11.89800000 +0 47.04700100 +0 -0.6673 H( 989 ASP* 65) 36.15519892 +1 -14.71505428 +1 47.99594262 +1 0.2949 H( 990 ASP* 65) 38.56759881 +1 -13.04679471 +1 48.43623437 +1 0.2169 H( 991 ASP 65) 35.61129310 +1 -12.68448086 +1 49.37645710 +1 0.2012 H( 992 ASP 65) 36.91299817 +1 -11.46993440 +1 49.45375595 +1 0.2149 N( 993 TRP* 66) 37.11999900 +0 -14.76200000 +0 50.90399900 +0 -0.4503 C( 994 TRP* 66) 37.43800000 +0 -15.24100000 +0 52.23899800 +0 -0.0513 C( 995 TRP* 66) 38.74000200 +0 -16.01400000 +0 52.27500200 +0 0.5779 O( 996 TRP* 66) 39.46600000 +0 -15.97200000 +0 53.25600100 +0 -0.6301 C( 997 TRP 66) 36.31900000 +0 -16.03800000 +0 52.89500000 +0 -0.2535 C( 998 TRP 66) 35.45900000 +0 -15.25000000 +0 53.84299900 +0 -0.0991 C( 999 TRP 66) 34.13299900 +0 -14.95400000 +0 53.76200100 +0 -0.1323 C( 1000 TRP 66) 35.91400100 +0 -14.60900000 +0 55.05199800 +0 -0.1145 N( 1001 TRP 66) 33.71699900 +0 -14.20900000 +0 54.82000000 +0 -0.2161 C( 1002 TRP 66) 34.81100100 +0 -13.97200000 +0 55.62500000 +0 0.0981 C( 1003 TRP 66) 37.16700000 +0 -14.53500000 +0 55.67900100 +0 -0.0920 C( 1004 TRP 66) 34.90900000 +0 -13.25100000 +0 56.80799900 +0 -0.2744 C( 1005 TRP 66) 37.25899900 +0 -13.81600000 +0 56.86299900 +0 -0.2043 C( 1006 TRP 66) 36.13800000 +0 -13.20000000 +0 57.40300000 +0 -0.0669 H( 1007 TRP* 66) 36.27778541 +1 -15.14860558 +1 50.44164385 +1 0.3302 H( 1008 TRP* 66) 37.63262596 +1 -14.31976115 +1 52.89731121 +1 0.1987 H( 1009 TRP 66) 35.68005418 +1 -16.52086588 +1 52.11983515 +1 0.1632 H( 1010 TRP 66) 36.74938412 +1 -16.88973246 +1 53.47604094 +1 0.1653 H( 1011 TRP 66) 33.44496438 +1 -15.25850158 +1 52.98081824 +1 0.1587 H( 1012 TRP 66) 32.75422264 +1 -13.97592097 +1 55.03748199 +1 0.2860 H( 1013 TRP 66) 38.03192991 +1 -15.03516992 +1 55.24177183 +1 0.1574 H( 1014 TRP 66) 34.02936637 +1 -12.76210979 +1 57.23598106 +1 0.1789 H( 1015 TRP 66) 38.21673267 +1 -13.74498975 +1 57.37998251 +1 0.1501 H( 1016 TRP 66) 36.25317640 +1 -12.64113789 +1 58.34251829 +1 0.1577 N( 1017 GLU* 67) 39.05199800 +0 -16.76899900 +0 51.19800200 +0 -0.4843 C( 1018 GLU* 67) 40.34000000 +0 -17.52400000 +0 51.20800000 +0 -0.0323 C( 1019 GLU* 67) 41.46600000 +0 -16.52000000 +0 51.30199800 +0 0.5468 O( 1020 GLU* 67) 42.48099900 +0 -16.75600100 +0 51.99300000 +0 -0.6464 C( 1021 GLU 67) 40.42200100 +0 -18.35400000 +0 49.92900100 +0 -0.2686 C( 1022 GLU 67) 41.57899900 +0 -19.37400100 +0 49.93100000 +0 -0.3668 C( 1023 GLU 67) 42.92300000 +0 -18.68899900 +0 49.72100100 +0 0.6632 O( 1024 GLU 67) 42.96699900 +0 -17.70700100 +0 48.98600000 +0 -0.6194 O( 1025 GLU 67) 43.91799900 +0 -19.14500000 +0 50.34999800 +0 -0.4606 H( 1026 GLU* 67) 38.42783877 +1 -16.89393842 +1 50.38276100 +1 0.3283 H( 1027 GLU* 67) 40.38467210 +1 -18.18266044 +1 52.12410763 +1 0.1844 H( 1028 GLU 67) 39.47363276 +1 -18.91803699 +1 49.77244445 +1 0.1721 H( 1029 GLU 67) 40.52037700 +1 -17.69179730 +1 49.03539321 +1 0.1841 H( 1030 GLU 67) 41.58268509 +1 -19.97897892 +1 50.85971843 +1 0.1797 H( 1031 GLU 67) 41.41394147 +1 -20.09829801 +1 49.09607976 +1 0.2048 N( 1032 GLY* 68) 41.36800000 +0 -15.35000000 +0 50.66899900 +0 -0.3870 C( 1033 GLY* 68) 42.41500100 +0 -14.35300000 +0 50.74200100 +0 -0.2564 C( 1034 GLY* 68) 42.63399900 +0 -13.85100000 +0 52.14400100 +0 0.5787 O( 1035 GLY* 68) 43.75899900 +0 -13.71700000 +0 52.63200000 +0 -0.6359 H( 1036 GLY* 68) 40.58472282 +1 -15.12363470 +1 50.03166320 +1 0.3068 H( 1037 GLY* 68) 43.39256320 +1 -14.77739114 +1 50.36986425 +1 0.2037 H( 1038 GLY* 68) 42.19160062 +1 -13.49560698 +1 50.05100165 +1 0.2061 N( 1039 LEU* 69) 41.56399900 +0 -13.57100000 +0 52.87500000 +0 -0.4371 C( 1040 LEU* 69) 41.69300100 +0 -13.12800000 +0 54.26100200 +0 -0.0482 C( 1041 LEU* 69) 42.09899900 +0 -14.25200000 +0 55.17100100 +0 0.5618 O( 1042 LEU* 69) 42.84000000 +0 -14.04800000 +0 56.15100100 +0 -0.6435 C( 1043 LEU 69) 40.40800100 +0 -12.49200000 +0 54.74800100 +0 -0.3400 C( 1044 LEU 69) 40.13800000 +0 -11.04300000 +0 54.36399800 +0 0.0452 C( 1045 LEU 69) 39.08499900 +0 -10.46800000 +0 55.33300000 +0 -0.5106 C( 1046 LEU 69) 41.41199900 +0 -10.22000000 +0 54.42499900 +0 -0.5193 H( 1047 LEU* 69) 40.60324297 +1 -13.61351369 +1 52.49103823 +1 0.3049 H( 1048 LEU* 69) 42.55103439 +1 -12.36249045 +1 54.31554198 +1 0.2237 H( 1049 LEU 69) 39.53362615 +1 -13.11784701 +1 54.45646016 +1 0.1538 H( 1050 LEU 69) 40.41444685 +1 -12.55384621 +1 55.86788168 +1 0.1758 H( 1051 LEU 69) 39.73029978 +1 -11.00228867 +1 53.32313249 +1 0.1112 H( 1052 LEU 69) 39.46175151 +1 -10.42120138 +1 56.36060639 +1 0.1569 H( 1053 LEU 69) 38.81294940 +1 -9.44574533 +1 55.04724277 +1 0.1560 H( 1054 LEU 69) 38.16911240 +1 -11.06830553 +1 55.34345562 +1 0.1543 H( 1055 LEU 69) 42.18417585 +1 -10.58510789 +1 53.73027512 +1 0.1647 H( 1056 LEU 69) 41.22459341 +1 -9.17304624 +1 54.15130480 +1 0.1587 H( 1057 LEU 69) 41.86609988 +1 -10.21341512 +1 55.42721003 +1 0.1634 N( 1058 TYR* 70) 41.60699800 +0 -15.45900000 +0 54.93000000 +0 -0.4380 C( 1059 TYR* 70) 41.98500100 +0 -16.61599900 +0 55.75199900 +0 -0.0601 C( 1060 TYR* 70) 43.45600100 +0 -16.74000000 +0 55.95100000 +0 0.5938 O( 1061 TYR* 70) 43.94400000 +0 -16.99500100 +0 57.04499800 +0 -0.6035 C( 1062 TYR 70) 41.35900100 +0 -17.85899900 +0 55.14300200 +0 -0.3174 C( 1063 TYR 70) 41.74800100 +0 -19.13600000 +0 55.83800100 +0 -0.0854 C( 1064 TYR 70) 42.88999900 +0 -19.83000000 +0 55.50999800 +0 -0.0770 C( 1065 TYR 70) 40.97200000 +0 -19.58900100 +0 56.87599900 +0 -0.0588 C( 1066 TYR 70) 43.22000100 +0 -21.00900100 +0 56.16799900 +0 -0.2987 C( 1067 TYR 70) 41.28599900 +0 -20.74300000 +0 57.53200100 +0 -0.3799 C( 1068 TYR 70) 42.41000000 +0 -21.44100000 +0 57.18199900 +0 0.3811 O( 1069 TYR 70) 42.70900000 +0 -22.59800000 +0 57.87400100 +0 -0.5113 H( 1070 TYR* 70) 41.03549179 +1 -15.67330063 +1 54.09156982 +1 0.3199 H( 1071 TYR* 70) 41.54276016 +1 -16.46230672 +1 56.79688610 +1 0.2001 H( 1072 TYR 70) 40.25021441 +1 -17.74712869 +1 55.12816220 +1 0.1691 H( 1073 TYR 70) 41.63458315 +1 -17.93075275 +1 54.06086534 +1 0.1625 H( 1074 TYR 70) 43.54842924 +1 -19.47141585 +1 54.71372787 +1 0.1486 H( 1075 TYR 70) 40.07509104 +1 -19.02952197 +1 57.17658703 +1 0.1355 H( 1076 TYR 70) 44.13047657 +1 -21.55793657 +1 55.91665850 +1 0.1850 H( 1077 TYR 70) 40.65090619 +1 -21.10256245 +1 58.35281845 +1 0.1880 H( 1078 TYR 70) 42.00834044 +1 -22.84282716 +1 58.57504763 +1 0.3737 N( 1079 SER* 71) 44.18899900 +0 -16.54700100 +0 54.84000000 +0 -0.4492 C( 1080 SER* 71) 45.60699800 +0 -16.61599900 +0 54.79800000 +0 -0.1542 C( 1081 SER* 71) 46.31300000 +0 -15.65100000 +0 55.69699900 +0 0.5868 O( 1082 SER* 71) 47.51100200 +0 -15.80200000 +0 56.04499800 +0 -0.6521 C( 1083 SER 71) 46.10699800 +0 -16.49799900 +0 53.31300000 +0 0.0208 O( 1084 SER 71) 45.93399800 +0 -15.21600000 +0 52.80799900 +0 -0.5799 H( 1085 SER* 71) 43.71971826 +1 -16.38097320 +1 53.92571385 +1 0.3087 H( 1086 SER* 71) 45.94995352 +1 -17.64813740 +1 55.16450698 +1 0.1997 H( 1087 SER 71) 47.20919455 +1 -16.65569026 +1 53.28487341 +1 0.1676 H( 1088 SER 71) 45.59674006 +1 -17.24928665 +1 52.68086699 +1 0.1204 H( 1089 SER 71) 44.97104968 +1 -14.94556680 +1 52.73973472 +1 0.3539 N( 1090 GLU* 72) 45.67100100 +0 -14.57800000 +0 56.13600200 +0 -0.4122 C( 1091 GLU* 72) 46.21099900 +0 -13.55600000 +0 56.96300100 +0 -0.0498 C( 1092 GLU* 72) 45.63999900 +0 -13.49400000 +0 58.37599900 +0 0.5471 O( 1093 GLU* 72) 45.96300100 +0 -12.58700000 +0 59.16700000 +0 -0.6613 C( 1094 GLU 72) 45.90300000 +0 -12.17300000 +0 56.32899900 +0 -0.2492 C( 1095 GLU 72) 46.40000200 +0 -11.97300000 +0 54.91600000 +0 -0.4647 C( 1096 GLU 72) 45.92400000 +0 -10.58200000 +0 54.41199900 +0 0.7157 O( 1097 GLU 72) 44.73300200 +0 -10.49900000 +0 54.08300000 +0 -0.6301 O( 1098 GLU 72) 46.72800100 +0 -9.64900000 +0 54.48600000 +0 -0.4742 H( 1099 GLU* 72) 44.69136476 +1 -14.36844306 +1 55.81679635 +1 0.3179 H( 1100 GLU* 72) 47.33724757 +1 -13.67889132 +1 57.06762337 +1 0.1994 H( 1101 GLU 72) 44.79697016 +1 -12.01171257 +1 56.34955505 +1 0.1651 H( 1102 GLU 72) 46.33324610 +1 -11.39336720 +1 57.00172234 +1 0.1681 H( 1103 GLU 72) 47.49954869 +1 -12.07493989 +1 54.82767138 +1 0.1878 H( 1104 GLU 72) 45.99578611 +1 -12.74813711 +1 54.22513896 +1 0.2062 N( 1105 LEU* 73) 44.77299900 +0 -14.43600000 +0 58.74100100 +0 -0.4030 C( 1106 LEU* 73) 44.19400000 +0 -14.42700000 +0 60.07899900 +0 -0.0780 C( 1107 LEU* 73) 45.18800000 +0 -14.64000000 +0 61.17499900 +0 0.5465 O( 1108 LEU* 73) 44.88800000 +0 -14.25500000 +0 62.33200100 +0 -0.6235 C( 1109 LEU 73) 43.03599900 +0 -15.44900000 +0 60.18600100 +0 -0.3228 C( 1110 LEU 73) 41.79700100 +0 -15.10700000 +0 59.35200100 +0 0.0300 C( 1111 LEU 73) 40.82099900 +0 -16.26600100 +0 59.35100200 +0 -0.5247 C( 1112 LEU 73) 41.09500100 +0 -13.86300000 +0 59.85699800 +0 -0.4963 H( 1113 LEU* 73) 44.47748281 +1 -15.21833933 +1 58.12674456 +1 0.3193 H( 1114 LEU* 73) 43.75528737 +1 -13.38882365 +1 60.27007805 +1 0.1922 H( 1115 LEU 73) 43.41062320 +1 -16.45539288 +1 59.89808046 +1 0.1604 H( 1116 LEU 73) 42.75673790 +1 -15.53261119 +1 61.26147406 +1 0.1794 H( 1117 LEU 73) 42.13032409 +1 -14.91649975 +1 58.29124881 +1 0.1263 H( 1118 LEU 73) 41.26699234 +1 -17.18294842 +1 58.94400007 +1 0.1500 H( 1119 LEU 73) 40.46463282 +1 -16.50936592 +1 60.36236478 +1 0.1674 H( 1120 LEU 73) 39.92898856 +1 -16.04771415 +1 58.75332169 +1 0.1481 H( 1121 LEU 73) 40.71855276 +1 -13.99100361 +1 60.88201275 +1 0.1603 H( 1122 LEU 73) 41.77096110 +1 -12.99666957 +1 59.87602019 +1 0.1520 H( 1123 LEU 73) 40.24045433 +1 -13.59190625 +1 59.22912367 +1 0.1428 N( 1124 ASP* 74) 46.38700100 +0 -15.12800000 +0 60.90000200 +0 -0.4677 C( 1125 ASP* 74) 47.36800000 +0 -15.24000000 +0 62.01800200 +0 0.0291 C( 1126 ASP* 74) 47.94800200 +0 -13.85000000 +0 62.30400100 +0 0.5606 O( 1127 ASP* 74) 48.79000100 +0 -13.76700000 +0 63.21400100 +0 -0.6314 C( 1128 ASP 74) 48.53799800 +0 -16.15300000 +0 61.64400100 +0 -0.5109 C( 1129 ASP 74) 48.27600100 +0 -17.61800000 +0 61.83000200 +0 0.6987 O( 1130 ASP 74) 47.12900200 +0 -17.99200100 +0 62.13399900 +0 -0.5728 O( 1131 ASP 74) 49.13399900 +0 -18.43600100 +0 61.41500100 +0 -0.4717 H( 1132 ASP* 74) 46.64846710 +1 -15.59637452 +1 60.00620943 +1 0.3333 H( 1133 ASP* 74) 46.84766829 +1 -15.61216476 +1 62.95355109 +1 0.2107 H( 1134 ASP 74) 48.85190937 +1 -15.96733474 +1 60.58357740 +1 0.2175 H( 1135 ASP 74) 49.43349658 +1 -15.84163378 +1 62.25443874 +1 0.2343 N( 1136 ASP* 75) 47.56600200 +0 -12.83100000 +0 61.57099900 +0 -0.4488 C( 1137 ASP* 75) 48.02399800 +0 -11.45700000 +0 61.78099800 +0 0.0106 C( 1138 ASP* 75) 47.08800100 +0 -10.71800000 +0 62.73400100 +0 0.5470 O( 1139 ASP* 75) 47.33300000 +0 -9.55900000 +0 63.11399800 +0 -0.6580 C( 1140 ASP 75) 48.07899900 +0 -10.70200000 +0 60.45399900 +0 -0.4058 C( 1141 ASP 75) 49.21400100 +0 -11.19100000 +0 59.55199800 +0 0.6459 O( 1142 ASP 75) 50.03900100 +0 -11.99400000 +0 60.00700000 +0 -0.5835 O( 1143 ASP 75) 49.24599800 +0 -10.76000000 +0 58.37699900 +0 -0.4913 H( 1144 ASP* 75) 46.96068479 +1 -12.93404030 +1 60.72611227 +1 0.3196 H( 1145 ASP* 75) 49.05688315 +1 -11.47171694 +1 62.25817059 +1 0.1950 H( 1146 ASP 75) 47.10845499 +1 -10.79272106 +1 59.90228951 +1 0.2112 H( 1147 ASP 75) 48.20925838 +1 -9.60989466 +1 60.64961387 +1 0.2123 N( 1148 VAL* 76) 45.99000200 +0 -11.33800000 +0 63.11299900 +0 -0.3955 C( 1149 VAL* 76) 45.02199900 +0 -10.66500000 +0 64.01100200 +0 -0.0924 C( 1150 VAL* 76) 44.85300100 +0 -11.45700000 +0 65.29499800 +0 0.5625 O( 1151 VAL* 76) 45.09600100 +0 -12.70500000 +0 65.27600100 +0 -0.6746 C( 1152 VAL 76) 43.64799900 +0 -10.71000000 +0 63.22800100 +0 0.0142 C( 1153 VAL 76) 42.54999900 +0 -10.18300000 +0 64.14099900 +0 -0.5274 C( 1154 VAL 76) 43.81600200 +0 -9.79100000 +0 62.02299900 +0 -0.4980 H( 1155 VAL* 76) 45.77595022 +1 -12.35190779 +1 62.97833095 +1 0.3343 H( 1156 VAL* 76) 45.34012172 +1 -9.60715397 +1 64.21545699 +1 0.1866 H( 1157 VAL 76) 43.43067910 +1 -11.75775260 +1 62.91683110 +1 0.1398 H( 1158 VAL 76) 42.28719893 +1 -10.88763682 +1 64.94139008 +1 0.1717 H( 1159 VAL 76) 42.80392726 +1 -9.21890294 +1 64.60516068 +1 0.1739 H( 1160 VAL 76) 41.61918083 +1 -10.01480822 +1 63.58281563 +1 0.1630 H( 1161 VAL 76) 44.56128299 +1 -10.17201609 +1 61.31503870 +1 0.1565 H( 1162 VAL 76) 42.87208417 +1 -9.68493972 +1 61.46866267 +1 0.1512 H( 1163 VAL 76) 44.11986080 +1 -8.78065959 +1 62.32312825 +1 0.1587 N( 1164 ASP* 77) 44.54399900 +0 -10.84100000 +0 66.37799800 +0 -0.4139 C( 1165 ASP* 77) 44.27800000 +0 -11.42400000 +0 67.70500200 +0 0.0496 C( 1166 ASP* 77) 42.75099900 +0 -11.33600000 +0 67.92900100 +0 0.5229 O( 1167 ASP* 77) 42.21799900 +0 -10.21100000 +0 67.94300100 +0 -0.6395 C( 1168 ASP 77) 44.97499800 +0 -10.46400000 +0 68.76200100 +0 -0.5184 C( 1169 ASP 77) 44.61100000 +0 -10.83600000 +0 70.16200300 +0 0.7193 O( 1170 ASP 77) 44.14799900 +0 -11.94500000 +0 70.42299700 +0 -0.6136 O( 1171 ASP 77) 44.97100100 +0 -10.05600000 +0 71.11299900 +0 -0.4909 H( 1172 ASP* 77) 44.41007594 +1 -9.78751331 +1 66.37148930 +1 0.3280 H( 1173 ASP* 77) 44.68766463 +1 -12.46501164 +1 67.79077492 +1 0.1921 H( 1174 ASP 77) 46.07635640 +1 -10.52830037 +1 68.60936976 +1 0.2198 H( 1175 ASP 77) 44.69727146 +1 -9.40870701 +1 68.52558500 +1 0.2217 N( 1176 PHE* 78) 42.04600100 +0 -12.43200000 +0 68.07099900 +0 -0.3931 C( 1177 PHE* 78) 40.63600200 +0 -12.41600000 +0 68.33200100 +0 -0.0689 C( 1178 PHE* 78) 40.28599900 +0 -12.55100000 +0 69.79299900 +0 0.5685 O( 1179 PHE* 78) 39.15200000 +0 -12.73500000 +0 70.19400000 +0 -0.6225 C( 1180 PHE 78) 39.91299800 +0 -13.49000000 +0 67.51200100 +0 -0.3260 C( 1181 PHE 78) 39.92599900 +0 -13.23200000 +0 66.01400000 +0 0.0755 C( 1182 PHE 78) 40.97000100 +0 -13.63000000 +0 65.22100100 +0 -0.1957 C( 1183 PHE 78) 38.81800100 +0 -12.57400000 +0 65.44899700 +0 -0.1934 C( 1184 PHE 78) 40.94500000 +0 -13.42400000 +0 63.85500000 +0 -0.1276 C( 1185 PHE 78) 38.83300000 +0 -12.32200000 +0 64.07000000 +0 -0.1385 C( 1186 PHE 78) 39.85800200 +0 -12.76100000 +0 63.31700100 +0 -0.1693 H( 1187 PHE* 78) 42.48639155 +1 -13.38676833 +1 68.05830936 +1 0.3268 H( 1188 PHE* 78) 40.20869775 +1 -11.39538321 +1 68.01668202 +1 0.2080 H( 1189 PHE 78) 40.35746371 +1 -14.49237504 +1 67.71973991 +1 0.1847 H( 1190 PHE 78) 38.86538697 +1 -13.56344367 +1 67.87890092 +1 0.1681 H( 1191 PHE 78) 41.84321634 +1 -14.11962894 +1 65.66991465 +1 0.1648 H( 1192 PHE 78) 37.99088739 +1 -12.23539754 +1 66.06745898 +1 0.1513 H( 1193 PHE 78) 41.77563892 +1 -13.75982544 +1 63.23037843 +1 0.1609 H( 1194 PHE 78) 37.99584779 +1 -11.77377412 +1 63.63158430 +1 0.1382 H( 1195 PHE 78) 39.85247193 +1 -12.57285673 +1 62.23314963 +1 0.1441 N( 1196 ASN* 79) 41.34600100 +0 -12.50200000 +0 70.64700300 +0 -0.4676 C( 1197 ASN* 79) 41.02500200 +0 -12.57400000 +0 72.08799700 +0 -0.0140 C( 1198 ASN* 79) 40.17300000 +0 -11.38000000 +0 72.46800200 +0 0.5668 O( 1199 ASN* 79) 40.40800100 +0 -10.24200000 +0 72.05500000 +0 -0.6486 C( 1200 ASN 79) 42.35699800 +0 -12.53300000 +0 72.89800300 +0 -0.4450 C( 1201 ASN 79) 42.95600100 +0 -13.93600000 +0 72.87100200 +0 0.5915 O( 1202 ASN 79) 42.41099900 +0 -14.83100000 +0 73.54599800 +0 -0.6111 N( 1203 ASN 79) 43.94900100 +0 -14.11200000 +0 72.05300100 +0 -0.5194 H( 1204 ASN* 79) 42.33368218 +1 -12.38333462 +1 70.38751466 +1 0.3288 H( 1205 ASN* 79) 40.48917902 +1 -13.55452427 +1 72.29574194 +1 0.1987 H( 1206 ASN 79) 43.03897225 +1 -11.74731396 +1 72.51104429 +1 0.1944 H( 1207 ASN 79) 42.15152333 +1 -12.25629215 +1 73.95394643 +1 0.1988 H( 1208 ASN 79) 44.36391029 +1 -15.03041913 +1 71.91072878 +1 0.2737 H( 1209 ASN 79) 44.37412075 +1 -13.37667833 +1 71.48028606 +1 0.3124 N( 1210 GLY* 80) 39.12599900 +0 -11.66700000 +0 73.26300000 +0 -0.3977 C( 1211 GLY* 80) 38.26599900 +0 -10.60200000 +0 73.69000200 +0 -0.2666 C( 1212 GLY* 80) 37.10400000 +0 -10.35200000 +0 72.73999800 +0 0.5898 O( 1213 GLY* 80) 36.29700100 +0 -9.46000000 +0 72.93800400 +0 -0.6559 H( 1214 GLY* 80) 38.85657446 +1 -12.62889373 +1 73.54928323 +1 0.3240 H( 1215 GLY* 80) 37.85062710 +1 -10.82365073 +1 74.71555102 +1 0.2132 H( 1216 GLY* 80) 38.82387711 +1 -9.63208519 +1 73.81812118 +1 0.2081 N( 1217 LYS* 81) 36.99300000 +0 -11.15700000 +0 71.68900300 +0 -0.4181 C( 1218 LYS* 81) 35.93199900 +0 -11.04600000 +0 70.72100100 +0 -0.0565 C( 1219 LYS* 81) 34.95500200 +0 -12.20400000 +0 70.79399900 +0 0.5371 O( 1220 LYS* 81) 35.38000100 +0 -13.34200000 +0 71.07900200 +0 -0.7165 C( 1221 LYS 81) 36.49700200 +0 -10.97600000 +0 69.28800200 +0 -0.2936 C( 1222 LYS 81) 37.38999900 +0 -9.75000000 +0 69.07800300 +0 -0.2458 C( 1223 LYS 81) 37.61899900 +0 -9.45500000 +0 67.61799600 +0 -0.2583 C( 1224 LYS 81) 38.76499900 +0 -8.47100000 +0 67.38500200 +0 -0.1106 N( 1225 LYS 81) 38.57899900 +0 -7.22500000 +0 68.14199800 +0 -0.5593 H( 1226 LYS* 81) 37.68276759 +1 -11.90385153 +1 71.46338705 +1 0.3191 H( 1227 LYS* 81) 35.36046994 +1 -10.06628214 +1 70.90855929 +1 0.2110 H( 1228 LYS 81) 37.07760029 +1 -11.89726703 +1 69.06805610 +1 0.1500 H( 1229 LYS 81) 35.64909032 +1 -10.94893842 +1 68.57290929 +1 0.1502 H( 1230 LYS 81) 36.93386885 +1 -8.85909698 +1 69.56589720 +1 0.1501 H( 1231 LYS 81) 38.35527227 +1 -9.89819336 +1 69.60846918 +1 0.1444 H( 1232 LYS 81) 37.81638012 +1 -10.38189866 +1 67.04455682 +1 0.1104 H( 1233 LYS 81) 36.69179042 +1 -9.00512638 +1 67.18770128 +1 0.1561 H( 1234 LYS 81) 39.73718987 +1 -8.97604235 +1 67.60493323 +1 0.0892 H( 1235 LYS 81) 38.78219310 +1 -8.21328700 +1 66.29583279 +1 0.1303 H( 1236 LYS 81) 38.72997530 +1 -7.37008450 +1 69.14433504 +1 0.2374 H( 1237 LYS 81) 39.22673627 +1 -6.50318326 +1 67.83036825 +1 0.2148 N( 1238 LEU* 82) 33.68999900 +0 -11.92800000 +0 70.55400100 +0 -0.3811 C( 1239 LEU* 82) 32.67400000 +0 -12.94300000 +0 70.45200300 +0 -0.0515 C( 1240 LEU* 82) 32.30600000 +0 -13.04100000 +0 68.93699600 +0 0.5304 O( 1241 LEU* 82) 32.08499900 +0 -11.98300000 +0 68.33100100 +0 -0.6716 C( 1242 LEU 82) 31.41600000 +0 -12.62100000 +0 71.23899800 +0 -0.3260 C( 1243 LEU 82) 31.59800000 +0 -12.54600000 +0 72.77400200 +0 0.0385 C( 1244 LEU 82) 30.21200000 +0 -12.27500000 +0 73.40399900 +0 -0.5070 C( 1245 LEU 82) 32.22499800 +0 -13.76700000 +0 73.33200100 +0 -0.5174 H( 1246 LEU* 82) 33.36706363 +1 -10.94975690 +1 70.33620578 +1 0.3415 H( 1247 LEU* 82) 33.08934517 +1 -13.94299945 +1 70.81383062 +1 0.1996 H( 1248 LEU 82) 30.99251238 +1 -11.65148562 +1 70.89230373 +1 0.1596 H( 1249 LEU 82) 30.64661756 +1 -13.38869360 +1 71.00894401 +1 0.1489 H( 1250 LEU 82) 32.24892643 +1 -11.65357104 +1 72.99757624 +1 0.1403 H( 1251 LEU 82) 29.49086943 +1 -13.07548368 +1 73.21359775 +1 0.1500 H( 1252 LEU 82) 30.29140409 +1 -12.18821584 +1 74.49449721 +1 0.1620 H( 1253 LEU 82) 29.78003981 +1 -11.33759644 +1 73.04084238 +1 0.1526 H( 1254 LEU 82) 33.24381829 +1 -13.93295010 +1 72.94309913 +1 0.1628 H( 1255 LEU 82) 32.32125120 +1 -13.70944678 +1 74.42698502 +1 0.1588 H( 1256 LEU 82) 31.64742604 +1 -14.67623339 +1 73.11669880 +1 0.1458 N( 1257 VAL* 83) 32.25000000 +0 -14.21300000 +0 68.42199700 +0 -0.3922 C( 1258 VAL* 83) 32.10800200 +0 -14.41100000 +0 66.97300000 +0 -0.1219 C( 1259 VAL* 83) 31.01400000 +0 -15.41500000 +0 66.66700000 +0 0.5596 O( 1260 VAL* 83) 31.01499900 +0 -16.53100000 +0 67.25299800 +0 -0.6950 C( 1261 VAL 83) 33.43399800 +0 -14.87700000 +0 66.39099900 +0 0.0027 C( 1262 VAL 83) 33.38299900 +0 -14.82000000 +0 64.83400000 +0 -0.5134 C( 1263 VAL 83) 34.62400100 +0 -14.05500000 +0 66.85500300 +0 -0.5013 H( 1264 VAL* 83) 32.39631118 +1 -15.09833097 +1 68.96911964 +1 0.3323 H( 1265 VAL* 83) 31.84249827 +1 -13.39383967 +1 66.51214028 +1 0.2120 H( 1266 VAL 83) 33.59784144 +1 -15.94790728 +1 66.68847208 +1 0.1247 H( 1267 VAL 83) 32.52037101 +1 -15.36398657 +1 64.43311567 +1 0.1603 H( 1268 VAL 83) 33.32727491 +1 -13.78805139 +1 64.47636622 +1 0.1571 H( 1269 VAL 83) 34.27911453 +1 -15.28623983 +1 64.40667297 +1 0.1658 H( 1270 VAL 83) 34.85402703 +1 -14.22260867 +1 67.91671789 +1 0.1579 H( 1271 VAL 83) 35.53019806 +1 -14.30785574 +1 66.29039138 +1 0.1519 H( 1272 VAL 83) 34.45303561 +1 -12.97337923 +1 66.73668803 +1 0.1790 N( 1273 ALA* 84) 30.12000100 +0 -15.03600000 +0 65.79599800 +0 -0.3756 C( 1274 ALA* 84) 29.06500100 +0 -15.88700000 +0 65.29900400 +0 -0.0219 C( 1275 ALA* 84) 29.25300000 +0 -16.14200000 +0 63.80799900 +0 0.5604 O( 1276 ALA* 84) 29.89600000 +0 -15.32300000 +0 63.14500000 +0 -0.6779 C( 1277 ALA 84) 27.67400000 +0 -15.32000000 +0 65.51599900 +0 -0.5066 H( 1278 ALA* 84) 30.15775188 +1 -14.08352670 +1 65.34112654 +1 0.3420 H( 1279 ALA* 84) 29.11623348 +1 -16.88591917 +1 65.86646443 +1 0.2063 H( 1280 ALA 84) 27.49244034 +1 -15.11786637 +1 66.58493459 +1 0.1906 H( 1281 ALA 84) 27.51032747 +1 -14.37009693 +1 64.98404402 +1 0.1694 H( 1282 ALA 84) 26.89193247 +1 -16.02008789 +1 65.19438830 +1 0.1643 N( 1283 TYR* 85) 28.74200100 +0 -17.24399900 +0 63.31100100 +0 -0.4434 C( 1284 TYR* 85) 28.94599900 +0 -17.65099900 +0 61.92499900 +0 -0.0350 C( 1285 TYR* 85) 27.61000100 +0 -17.94599900 +0 61.26400000 +0 0.5675 O( 1286 TYR* 85) 26.78400000 +0 -18.64399900 +0 61.81499900 +0 -0.6310 C( 1287 TYR 85) 29.83499900 +0 -18.92900100 +0 61.88600200 +0 -0.3077 C( 1288 TYR 85) 31.16600000 +0 -18.70500000 +0 62.56700100 +0 -0.0557 C( 1289 TYR 85) 31.33000000 +0 -18.70100000 +0 63.93399800 +0 -0.0439 C( 1290 TYR 85) 32.27299900 +0 -18.38200000 +0 61.77500200 +0 -0.0863 C( 1291 TYR 85) 32.57899900 +0 -18.46999900 +0 64.54000100 +0 -0.3623 C( 1292 TYR 85) 33.49100100 +0 -18.14100100 +0 62.38399900 +0 -0.3120 C( 1293 TYR 85) 33.63200000 +0 -18.17900100 +0 63.73000000 +0 0.3635 O( 1294 TYR 85) 34.89500000 +0 -17.87299900 +0 64.26100200 +0 -0.5314 H( 1295 TYR* 85) 28.24386483 +1 -17.96427295 +1 63.91773317 +1 0.3505 H( 1296 TYR* 85) 29.50244091 +1 -16.82922223 +1 61.36445330 +1 0.1979 H( 1297 TYR 85) 29.30181971 +1 -19.77190924 +1 62.37482828 +1 0.1566 H( 1298 TYR 85) 29.97987299 +1 -19.24314172 +1 60.83402741 +1 0.1530 H( 1299 TYR 85) 30.47763483 +1 -18.91061665 +1 64.59088581 +1 0.1496 H( 1300 TYR 85) 32.18651776 +1 -18.32964065 +1 60.68904867 +1 0.1525 H( 1301 TYR 85) 32.65503976 +1 -18.48257151 +1 65.62989503 +1 0.1931 H( 1302 TYR 85) 34.36524144 +1 -17.90640858 +1 61.76247835 +1 0.1802 H( 1303 TYR 85) 34.88779507 +1 -17.84913518 +1 65.27641313 +1 0.3639 N( 1304 PHE* 86) 27.50400000 +0 -17.65000000 +0 59.96300100 +0 -0.4563 C( 1305 PHE* 86) 26.46200000 +0 -18.15000000 +0 59.11899900 +0 -0.0668 C( 1306 PHE* 86) 27.02500000 +0 -18.51000000 +0 57.75799900 +0 0.5762 O( 1307 PHE* 86) 27.91900100 +0 -17.92900100 +0 57.22200000 +0 -0.6382 C( 1308 PHE 86) 25.27300100 +0 -17.22900000 +0 58.98899800 +0 -0.3187 C( 1309 PHE 86) 25.45000100 +0 -16.00400000 +0 58.14799900 +0 0.0745 C( 1310 PHE 86) 26.07399900 +0 -14.87500000 +0 58.66000000 +0 -0.1920 C( 1311 PHE 86) 25.05600000 +0 -15.96200000 +0 56.83000200 +0 -0.2141 C( 1312 PHE 86) 26.27700000 +0 -13.74300000 +0 57.91000000 +0 -0.1147 C( 1313 PHE 86) 25.28200000 +0 -14.84700000 +0 56.04900000 +0 -0.1554 C( 1314 PHE 86) 25.89200000 +0 -13.72700000 +0 56.56499900 +0 -0.1908 H( 1315 PHE* 86) 28.17304621 +1 -16.99385412 +1 59.49610032 +1 0.3213 H( 1316 PHE* 86) 26.04568454 +1 -19.11310628 +1 59.61634178 +1 0.2249 H( 1317 PHE 86) 24.40401232 +1 -17.82392764 +1 58.61503523 +1 0.1688 H( 1318 PHE 86) 24.95303841 +1 -16.92074267 +1 60.02210523 +1 0.2002 H( 1319 PHE 86) 26.41053996 +1 -14.88972055 +1 59.70624707 +1 0.1765 H( 1320 PHE 86) 24.55794666 +1 -16.82752359 +1 56.38559563 +1 0.1451 H( 1321 PHE 86) 26.74723720 +1 -12.85748734 +1 58.35169260 +1 0.1692 H( 1322 PHE 86) 24.94274593 +1 -14.84054128 +1 55.01023962 +1 0.1317 H( 1323 PHE 86) 26.04759726 +1 -12.83878572 +1 55.95510522 +1 0.1468 N( 1324 GLY* 87) 26.32000000 +0 -19.49200100 +0 57.17499900 +0 -0.4364 C( 1325 GLY* 87) 26.72500000 +0 -19.83000000 +0 55.81300000 +0 -0.2680 C( 1326 GLY* 87) 25.51199900 +0 -20.19599900 +0 54.96400100 +0 0.6141 O( 1327 GLY* 87) 24.49799900 +0 -20.56200000 +0 55.50099900 +0 -0.6134 H( 1328 GLY* 87) 25.51639636 +1 -20.01084776 +1 57.58977512 +1 0.3514 H( 1329 GLY* 87) 27.35349669 +1 -19.01495486 +1 55.36584436 +1 0.1999 H( 1330 GLY* 87) 27.39129826 +1 -20.74363315 +1 55.83536650 +1 0.2036 N( 1331 THR* 88) 25.70299900 +0 -20.10400000 +0 53.66400100 +0 -0.4318 C( 1332 THR* 88) 24.78599900 +0 -20.62100000 +0 52.68700000 +0 -0.1871 C( 1333 THR* 88) 25.46299900 +0 -21.81900000 +0 52.01900100 +0 0.5702 O( 1334 THR* 88) 26.68800000 +0 -21.85899900 +0 51.88299900 +0 -0.6435 C( 1335 THR 88) 24.23100100 +0 -19.68199900 +0 51.63800000 +0 0.2296 O( 1336 THR 88) 25.20500000 +0 -19.16700000 +0 50.77399800 +0 -0.6230 C( 1337 THR 88) 23.57300000 +0 -18.45800000 +0 52.32099900 +0 -0.5413 H( 1338 THR* 88) 26.61060119 +1 -19.80566675 +1 53.26619575 +1 0.3003 H( 1339 THR* 88) 23.85864061 +1 -21.00517626 +1 53.27149596 +1 0.2319 H( 1340 THR 88) 23.46187605 +1 -20.22650225 +1 51.02279219 +1 0.1270 H( 1341 THR 88) 25.31035193 +1 -19.68925429 +1 49.95122885 +1 0.3428 H( 1342 THR 88) 22.74627250 +1 -18.76107752 +1 52.97794437 +1 0.1901 H( 1343 THR 88) 24.28942629 +1 -17.90872575 +1 52.94269166 +1 0.1777 H( 1344 THR 88) 23.17346685 +1 -17.76486518 +1 51.57418434 +1 0.1674 N( 1345 GLY* 89) 24.63699900 +0 -22.78500000 +0 51.66000000 +0 -0.4206 C( 1346 GLY* 89) 25.17200100 +0 -24.01499900 +0 51.02999900 +0 -0.2954 C( 1347 GLY* 89) 24.01400000 +0 -24.81200000 +0 50.46799900 +0 0.5785 O( 1348 GLY* 89) 22.87400100 +0 -24.36200000 +0 50.55799900 +0 -0.6619 H( 1349 GLY* 89) 23.63910915 +1 -22.84101832 +1 51.96212238 +1 0.3322 H( 1350 GLY* 89) 25.92272131 +1 -23.75079224 +1 50.22988871 +1 0.2172 H( 1351 GLY* 89) 25.78012710 +1 -24.62140656 +1 51.76853895 +1 0.2350 N( 1352 ASP* 90) 24.34000000 +0 -25.91900100 +0 49.84800000 +0 -0.4430 C( 1353 ASP* 90) 23.32500100 +0 -26.79299900 +0 49.17300000 +0 0.0073 C( 1354 ASP* 90) 23.48800100 +0 -28.18199900 +0 49.73899800 +0 0.5567 O( 1355 ASP* 90) 24.44100000 +0 -28.89100100 +0 49.41999800 +0 -0.5928 C( 1356 ASP 90) 23.61300100 +0 -26.73100100 +0 47.70000100 +0 -0.5452 C( 1357 ASP 90) 22.83499900 +0 -27.73500100 +0 46.84600100 +0 0.7352 O( 1358 ASP 90) 22.05299900 +0 -28.53100000 +0 47.37500000 +0 -0.6156 O( 1359 ASP 90) 23.11000100 +0 -27.68700000 +0 45.63000100 +0 -0.4487 H( 1360 ASP* 90) 25.31655369 +1 -26.29140904 +1 49.84317982 +1 0.3408 H( 1361 ASP* 90) 22.29264035 +1 -26.36872719 +1 49.37499892 +1 0.1802 H( 1362 ASP 90) 23.41718627 +1 -25.69676034 +1 47.32217699 +1 0.2096 H( 1363 ASP 90) 24.70466033 +1 -26.92812463 +1 47.51860798 +1 0.2187 N( 1364 GLN* 91) 22.56200000 +0 -28.62400100 +0 50.58100100 +0 -0.4415 C( 1365 GLN* 91) 22.62700100 +0 -29.88600000 +0 51.24399900 +0 -0.0679 C( 1366 GLN* 91) 22.33000000 +0 -31.07300000 +0 50.33300000 +0 0.5190 O( 1367 GLN* 91) 22.74600000 +0 -32.20600100 +0 50.64300200 +0 -0.5652 C( 1368 GLN 91) 21.71999900 +0 -29.93499900 +0 52.48500100 +0 -0.2570 C( 1369 GLN 91) 20.23300000 +0 -29.95200000 +0 52.15100100 +0 -0.4413 C( 1370 GLN 91) 19.40200000 +0 -29.44899900 +0 53.31700100 +0 0.6245 O( 1371 GLN 91) 18.86800000 +0 -30.18499900 +0 54.13200000 +0 -0.4986 N( 1372 GLN 91) 19.31300000 +0 -28.12500000 +0 53.40599800 +0 -0.6544 H( 1373 GLN* 91) 21.79885727 +1 -27.99676558 +1 50.88854334 +1 0.2880 H( 1374 GLN* 91) 23.70243013 +1 -30.06493862 +1 51.60216847 +1 0.2035 H( 1375 GLN 91) 21.95827185 +1 -30.88776512 +1 53.03976271 +1 0.2100 H( 1376 GLN 91) 21.99672978 +1 -29.11719940 +1 53.17993789 +1 0.1527 H( 1377 GLN 91) 19.99144112 +1 -29.41243217 +1 51.21687398 +1 0.1720 H( 1378 GLN 91) 19.93677433 +1 -31.02022876 +1 51.94946047 +1 0.2303 H( 1379 GLN 91) 20.11464693 +1 -27.68512202 +1 53.91523097 +1 0.2793 H( 1380 GLN 91) 18.47411976 +1 -27.75500177 +1 53.94627253 +1 0.3234 N( 1381 ILE* 92) 21.65600000 +0 -30.84600100 +0 49.25500100 +0 -0.4186 C( 1382 ILE* 92) 21.30500000 +0 -31.95200000 +0 48.33900100 +0 -0.0759 C( 1383 ILE* 92) 22.42499900 +0 -32.19300100 +0 47.35699800 +0 0.5512 O( 1384 ILE* 92) 22.83099900 +0 -33.34400200 +0 47.13900000 +0 -0.6143 C( 1385 ILE 92) 20.00900100 +0 -31.63100100 +0 47.63600200 +0 -0.0665 C( 1386 ILE 92) 18.78700100 +0 -31.53100000 +0 48.54499800 +0 -0.2287 C( 1387 ILE 92) 19.73900000 +0 -32.57600000 +0 46.48300200 +0 -0.5043 C( 1388 ILE 92) 17.51000000 +0 -31.39699900 +0 47.73199800 +0 -0.4719 H( 1389 ILE* 92) 21.42141941 +1 -29.90825382 +1 48.90361245 +1 0.2863 H( 1390 ILE* 92) 21.19386066 +1 -32.90945738 +1 48.96030505 +1 0.2307 H( 1391 ILE 92) 20.12847878 +1 -30.60474016 +1 47.16296318 +1 0.1198 H( 1392 ILE 92) 18.71798031 +1 -32.43658406 +1 49.18879777 +1 0.1520 H( 1393 ILE 92) 18.89072948 +1 -30.67645545 +1 49.23928483 +1 0.1129 H( 1394 ILE 92) 20.60488332 +1 -32.73303606 +1 45.82549045 +1 0.1589 H( 1395 ILE 92) 19.44365262 +1 -33.57878772 +1 46.83171319 +1 0.1791 H( 1396 ILE 92) 18.93500852 +1 -32.21492129 +1 45.82762084 +1 0.1706 H( 1397 ILE 92) 17.27955067 +1 -32.30585931 +1 47.16078687 +1 0.1596 H( 1398 ILE 92) 16.64135954 +1 -31.22480521 +1 48.37923709 +1 0.1461 H( 1399 ILE 92) 17.55382835 +1 -30.56315462 +1 47.01712989 +1 0.1582 N( 1400 GLY* 93) 22.96600000 +0 -31.13800000 +0 46.73899800 +0 -0.4265 C( 1401 GLY* 93) 24.07700000 +0 -31.36899900 +0 45.82400100 +0 -0.2666 C( 1402 GLY* 93) 25.39900000 +0 -31.62000100 +0 46.48899800 +0 0.5952 O( 1403 GLY* 93) 26.26400000 +0 -32.24300000 +0 45.85400000 +0 -0.6647 H( 1404 GLY* 93) 22.51309019 +1 -30.21400864 +1 46.69279871 +1 0.3105 H( 1405 GLY* 93) 23.85907910 +1 -32.25450061 +1 45.15580422 +1 0.2125 H( 1406 GLY* 93) 24.17755998 +1 -30.50692551 +1 45.11141989 +1 0.1959 N( 1407 TYR* 94) 25.63500000 +0 -31.17700000 +0 47.70500200 +0 -0.4151 C( 1408 TYR* 94) 26.93899900 +0 -31.35800000 +0 48.36700100 +0 -0.0441 C( 1409 TYR* 94) 26.76199900 +0 -31.88100100 +0 49.72700100 +0 0.5440 O( 1410 TYR* 94) 27.19100000 +0 -31.27899900 +0 50.75700000 +0 -0.6564 C( 1411 TYR 94) 27.66300000 +0 -29.95599900 +0 48.37500000 +0 -0.2877 C( 1412 TYR 94) 27.78700100 +0 -29.50000000 +0 46.96099900 +0 -0.0270 C( 1413 TYR 94) 28.84000000 +0 -29.94400000 +0 46.17499900 +0 -0.0863 C( 1414 TYR 94) 26.79700100 +0 -28.71800000 +0 46.38100100 +0 -0.1479 C( 1415 TYR 94) 28.90600000 +0 -29.54500000 +0 44.83100100 +0 -0.2323 C( 1416 TYR 94) 26.84100000 +0 -28.36300100 +0 45.05600000 +0 -0.2990 C( 1417 TYR 94) 27.91500100 +0 -28.77100000 +0 44.29499800 +0 0.3030 O( 1418 TYR 94) 27.96200000 +0 -28.39300000 +0 42.95399900 +0 -0.5421 H( 1419 TYR* 94) 24.95857199 +1 -30.60093665 +1 48.24013051 +1 0.3120 H( 1420 TYR* 94) 27.59316259 +1 -32.07140927 +1 47.76308411 +1 0.2125 H( 1421 TYR 94) 27.08550270 +1 -29.25409002 +1 49.01010481 +1 0.1675 H( 1422 TYR 94) 28.64593480 +1 -30.07404937 +1 48.87609460 +1 0.1745 H( 1423 TYR 94) 29.61770922 +1 -30.59204808 +1 46.58461913 +1 0.1653 H( 1424 TYR 94) 25.94806898 +1 -28.39945897 +1 46.99769570 +1 0.1442 H( 1425 TYR 94) 29.73766419 +1 -29.89472253 +1 44.20485791 +1 0.1917 H( 1426 TYR 94) 26.03849859 +1 -27.78269347 +1 44.60329806 +1 0.1539 H( 1427 TYR 94) 27.10445650 +1 -28.65703813 +1 42.49686148 +1 0.3611 N( 1428 ALA* 95) 26.10199900 +0 -33.04499800 +0 49.85599900 +0 -0.4369 C( 1429 ALA* 95) 25.77100000 +0 -33.61700100 +0 51.13499800 +0 -0.0274 C( 1430 ALA* 95) 26.93100000 +0 -33.98400100 +0 52.02199900 +0 0.5945 O( 1431 ALA* 95) 26.79700100 +0 -34.16000000 +0 53.23000000 +0 -0.6404 C( 1432 ALA 95) 24.77100000 +0 -34.75799900 +0 50.99100100 +0 -0.4970 H( 1433 ALA* 95) 25.77586864 +1 -33.59663496 +1 49.01521898 +1 0.3329 H( 1434 ALA* 95) 25.22020820 +1 -32.79800070 +1 51.73175514 +1 0.1906 H( 1435 ALA 95) 25.06612305 +1 -35.50341135 +1 50.23542978 +1 0.1837 H( 1436 ALA 95) 24.62384851 +1 -35.31514399 +1 51.92704675 +1 0.1837 H( 1437 ALA 95) 23.77359032 +1 -34.37727914 +1 50.69456077 +1 0.2057 N( 1438 ASP* 96) 28.10600100 +0 -34.21300100 +0 51.41999800 +0 -0.4607 C( 1439 ASP* 96) 29.28599900 +0 -34.57700000 +0 52.15399900 +0 -0.0206 C( 1440 ASP* 96) 30.16700000 +0 -33.38999900 +0 52.53799800 +0 0.5809 O( 1441 ASP* 96) 31.17300000 +0 -33.57899900 +0 53.26400000 +0 -0.6480 C( 1442 ASP 96) 30.15800100 +0 -35.55600000 +0 51.32500100 +0 -0.4895 C( 1443 ASP 96) 29.39100100 +0 -36.86000100 +0 51.03300100 +0 0.7054 O( 1444 ASP 96) 28.77400000 +0 -37.38999900 +0 51.94599900 +0 -0.5636 O( 1445 ASP 96) 29.41400000 +0 -37.26300000 +0 49.84899900 +0 -0.4648 H( 1446 ASP* 96) 28.25657754 +1 -34.04083213 +1 50.40261503 +1 0.3159 H( 1447 ASP* 96) 28.99291881 +1 -35.09358239 +1 53.13024085 +1 0.2140 H( 1448 ASP 96) 30.52509186 +1 -35.06338143 +1 50.40127138 +1 0.1920 H( 1449 ASP 96) 31.08148816 +1 -35.80694232 +1 51.90921716 +1 0.2328 N( 1450 ASN* 97) 29.78500000 +0 -32.18000000 +0 52.09700000 +0 -0.4557 C( 1451 ASN* 97) 30.61200000 +0 -31.00000000 +0 52.39799900 +0 0.0066 C( 1452 ASN* 97) 29.71900000 +0 -29.78100000 +0 52.68000000 +0 0.5364 O( 1453 ASN* 97) 30.04800000 +0 -28.66200100 +0 52.28400000 +0 -0.6714 C( 1454 ASN 97) 31.41300000 +0 -30.65700000 +0 51.09700000 +0 -0.4477 C( 1455 ASN 97) 32.42800100 +0 -31.78000100 +0 50.79999900 +0 0.6243 O( 1456 ASN 97) 32.16099900 +0 -32.63399900 +0 49.96699900 +0 -0.6718 N( 1457 ASN 97) 33.53799800 +0 -31.71900000 +0 51.47000100 +0 -0.5132 H( 1458 ASN* 97) 28.99341135 +1 -32.02280141 +1 51.43568119 +1 0.3327 H( 1459 ASN* 97) 31.30847059 +1 -31.18820703 +1 53.27595083 +1 0.2310 H( 1460 ASN 97) 30.73328685 +1 -30.54032766 +1 50.23199896 +1 0.1793 H( 1461 ASN 97) 31.90830248 +1 -29.67033391 +1 51.19900057 +1 0.1974 H( 1462 ASN 97) 34.28371712 +1 -32.42877338 +1 51.35330087 +1 0.3089 H( 1463 ASN 97) 33.66383426 +1 -31.12426139 +1 52.29725638 +1 0.3091 N( 1464 PHE* 98) 28.58300000 +0 -30.07700000 +0 53.30699900 +0 -0.3808 C( 1465 PHE* 98) 27.57500100 +0 -29.05600000 +0 53.57000000 +0 -0.0334 C( 1466 PHE* 98) 28.04500000 +0 -28.06399900 +0 54.62900200 +0 0.5554 O( 1467 PHE* 98) 28.34100000 +0 -28.43600100 +0 55.75999800 +0 -0.5956 C( 1468 PHE 98) 26.27100000 +0 -29.70700100 +0 53.97499800 +0 -0.3506 C( 1469 PHE 98) 25.11899900 +0 -28.73300000 +0 54.25099900 +0 0.0756 C( 1470 PHE 98) 24.72600000 +0 -27.85100000 +0 53.28400000 +0 -0.2177 C( 1471 PHE 98) 24.49099900 +0 -28.76600100 +0 55.48500100 +0 -0.1639 C( 1472 PHE 98) 23.64600000 +0 -27.00200100 +0 53.50000000 +0 -0.1456 C( 1473 PHE 98) 23.44199900 +0 -27.87999900 +0 55.73099900 +0 -0.1063 C( 1474 PHE 98) 23.03200000 +0 -27.03300100 +0 54.74900100 +0 -0.2299 H( 1475 PHE* 98) 28.45742591 +1 -30.98148795 +1 53.81548651 +1 0.3332 H( 1476 PHE* 98) 27.40540469 +1 -28.49394735 +1 52.58729181 +1 0.1864 H( 1477 PHE 98) 25.94788778 +1 -30.41322929 +1 53.17060572 +1 0.1924 H( 1478 PHE 98) 26.43254135 +1 -30.34969159 +1 54.87781822 +1 0.2006 H( 1479 PHE 98) 25.25328458 +1 -27.81470284 +1 52.32398431 +1 0.1591 H( 1480 PHE 98) 24.81008904 +1 -29.46615101 +1 56.26579898 +1 0.1842 H( 1481 PHE 98) 23.31324439 +1 -26.31333657 +1 52.72947365 +1 0.1295 H( 1482 PHE 98) 22.95719654 +1 -27.87800265 +1 56.71543478 +1 0.1620 H( 1483 PHE 98) 22.20296624 +1 -26.34449271 +1 54.94998416 +1 0.1491 N( 1484 GLN* 99) 28.20500000 +0 -26.79200000 +0 54.24399900 +0 -0.4625 C( 1485 GLN* 99) 28.65300000 +0 -25.77500000 +0 55.19500000 +0 -0.0641 C( 1486 GLN* 99) 30.06600000 +0 -25.92499900 +0 55.66199900 +0 0.5652 O( 1487 GLN* 99) 30.47400100 +0 -25.37299900 +0 56.71500000 +0 -0.6172 C( 1488 GLN 99) 27.72800100 +0 -25.53100000 +0 56.36200000 +0 -0.2543 C( 1489 GLN 99) 26.24399900 +0 -25.37700100 +0 56.01599900 +0 -0.3957 C( 1490 GLN 99) 25.98399900 +0 -23.99399900 +0 55.40700100 +0 0.6358 O( 1491 GLN 99) 26.79900000 +0 -23.09700000 +0 55.35800200 +0 -0.6524 N( 1492 GLN 99) 24.72400100 +0 -23.85300100 +0 54.95399900 +0 -0.5722 H( 1493 GLN* 99) 27.95544646 +1 -26.44613782 +1 53.29917820 +1 0.3169 H( 1494 GLN* 99) 28.66683952 +1 -24.78754060 +1 54.59134717 +1 0.1752 H( 1495 GLN 99) 27.82851823 +1 -26.37934284 +1 57.08922644 +1 0.1895 H( 1496 GLN 99) 28.08521167 +1 -24.63419142 +1 56.92654999 +1 0.1859 H( 1497 GLN 99) 25.89905994 +1 -26.19246237 +1 55.34874399 +1 0.1882 H( 1498 GLN 99) 25.64641861 +1 -25.48521043 +1 56.94831240 +1 0.1849 H( 1499 GLN 99) 24.35898880 +1 -22.95835773 +1 54.62923935 +1 0.2847 H( 1500 GLN 99) 24.02934966 +1 -24.58782509 +1 54.98756286 +1 0.2838 N( 1501 ASP*100) 30.93800000 +0 -26.60300100 +0 54.89699900 +0 -0.4558 C( 1502 ASP*100) 32.29499800 +0 -26.73700000 +0 55.36100000 +0 0.0510 C( 1503 ASP*100) 32.97200000 +0 -25.40300000 +0 55.60100200 +0 0.5246 O( 1504 ASP*100) 33.83700200 +0 -25.29999900 +0 56.52000000 +0 -0.6437 C( 1505 ASP 100) 33.16099900 +0 -27.53300100 +0 54.37200200 +0 -0.5527 C( 1506 ASP 100) 32.96500000 +0 -28.98700000 +0 54.31000100 +0 0.7689 O( 1507 ASP 100) 32.22900000 +0 -29.55800100 +0 55.15599800 +0 -0.5974 O( 1508 ASP 100) 33.65800100 +0 -29.64900000 +0 53.46300100 +0 -0.6284 H( 1509 ASP*100) 30.66283906 +1 -27.11634043 +1 54.04413073 +1 0.3128 H( 1510 ASP*100) 32.29998537 +1 -27.28333244 +1 56.36616774 +1 0.1991 H( 1511 ASP 100) 33.07739836 +1 -27.07888159 +1 53.35561887 +1 0.1902 H( 1512 ASP 100) 34.24079559 +1 -27.33259045 +1 54.64063885 +1 0.2331 N( 1513 ALA*101) 32.75799900 +0 -24.39699900 +0 54.78699900 +0 -0.4136 C( 1514 ALA*101) 33.44300100 +0 -23.11899900 +0 54.88900000 +0 -0.0175 C( 1515 ALA*101) 33.39300200 +0 -22.48500100 +0 56.23000000 +0 0.5681 O( 1516 ALA*101) 34.38299900 +0 -21.99600000 +0 56.77700000 +0 -0.6073 C( 1517 ALA 101) 33.00700000 +0 -22.15000000 +0 53.80300100 +0 -0.5341 H( 1518 ALA*101) 32.01890718 +1 -24.43148985 +1 54.04460074 +1 0.3217 H( 1519 ALA*101) 34.56076333 +1 -23.33423472 +1 54.71252833 +1 0.1890 H( 1520 ALA 101) 33.28058432 +1 -22.50663087 +1 52.79914480 +1 0.1827 H( 1521 ALA 101) 31.91801168 +1 -21.98146357 +1 53.79892976 +1 0.1865 H( 1522 ALA 101) 33.48989783 +1 -21.17005091 +1 53.93758563 +1 0.1833 N( 1523 ILE*102) 32.19800200 +0 -22.41300000 +0 56.85699800 +0 -0.4555 C( 1524 ILE*102) 32.16500100 +0 -21.81600000 +0 58.17900100 +0 -0.0971 C( 1525 ILE*102) 32.88900000 +0 -22.61899900 +0 59.22900000 +0 0.5498 O( 1526 ILE*102) 33.37799800 +0 -22.10100000 +0 60.23300200 +0 -0.6081 C( 1527 ILE 102) 30.73300000 +0 -21.44100000 +0 58.65200000 +0 -0.0517 C( 1528 ILE 102) 29.75000000 +0 -22.57700000 +0 58.67100100 +0 -0.2809 C( 1529 ILE 102) 30.25200100 +0 -20.25200100 +0 57.83000200 +0 -0.4916 C( 1530 ILE 102) 28.38100100 +0 -22.28400000 +0 59.26900100 +0 -0.4461 H( 1531 ILE*102) 31.32706171 +1 -22.80689399 +1 56.48180854 +1 0.3061 H( 1532 ILE*102) 32.75288232 +1 -20.83309138 +1 58.12765477 +1 0.1924 H( 1533 ILE 102) 30.86149826 +1 -21.08128153 +1 59.71960240 +1 0.1621 H( 1534 ILE 102) 29.60619601 +1 -22.98256564 +1 57.64308656 +1 0.1319 H( 1535 ILE 102) 30.19548347 +1 -23.43330376 +1 59.23253680 +1 0.1499 H( 1536 ILE 102) 30.94183848 +1 -19.40176969 +1 57.90329144 +1 0.1527 H( 1537 ILE 102) 30.13779628 +1 -20.49326220 +1 56.76725574 +1 0.1533 H( 1538 ILE 102) 29.27810797 +1 -19.88903773 +1 58.18911748 +1 0.1720 H( 1539 ILE 102) 28.45794874 +1 -21.89081456 +1 60.29201285 +1 0.1583 H( 1540 ILE 102) 27.82024230 +1 -21.54846656 +1 58.68021581 +1 0.1481 H( 1541 ILE 102) 27.77162054 +1 -23.19358816 +1 59.31847088 +1 0.1455 N( 1542 GLY*103) 32.91000000 +0 -23.95200000 +0 59.05099900 +0 -0.4275 C( 1543 GLY*103) 33.70200000 +0 -24.77800000 +0 59.98500100 +0 -0.2577 C( 1544 GLY*103) 35.17300000 +0 -24.50200100 +0 59.84000000 +0 0.5861 O( 1545 GLY*103) 35.88999900 +0 -24.38400100 +0 60.85200100 +0 -0.6209 H( 1546 GLY*103) 32.57733006 +1 -24.43397333 +1 58.20573725 +1 0.3072 H( 1547 GLY*103) 33.42801171 +1 -24.55807726 +1 61.05949730 +1 0.2301 H( 1548 GLY*103) 33.48941998 +1 -25.86760154 +1 59.84830631 +1 0.1997 N( 1549 ILE*104) 35.70700100 +0 -24.32700000 +0 58.64400100 +0 -0.4659 C( 1550 ILE*104) 37.12699900 +0 -23.99399900 +0 58.45299900 +0 -0.0721 C( 1551 ILE*104) 37.47399900 +0 -22.64800100 +0 59.02199900 +0 0.5775 O( 1552 ILE*104) 38.47499800 +0 -22.43300100 +0 59.68399800 +0 -0.6355 C( 1553 ILE 104) 37.41199900 +0 -24.03200000 +0 56.92300000 +0 -0.0573 C( 1554 ILE 104) 37.22499800 +0 -25.44500000 +0 56.38399900 +0 -0.2402 C( 1555 ILE 104) 38.80099900 +0 -23.49500100 +0 56.62300100 +0 -0.5007 C( 1556 ILE 104) 37.10900100 +0 -25.56200000 +0 54.90200000 +0 -0.4582 H( 1557 ILE*104) 35.15619450 +1 -24.45700497 +1 57.77137184 +1 0.3159 H( 1558 ILE*104) 37.76630939 +1 -24.76180539 +1 58.98898675 +1 0.1923 H( 1559 ILE 104) 36.66422776 +1 -23.35369644 +1 56.42225353 +1 0.1394 H( 1560 ILE 104) 38.06685141 +1 -26.08132478 +1 56.74654134 +1 0.1459 H( 1561 ILE 104) 36.31719092 +1 -25.90983451 +1 56.84091582 +1 0.1400 H( 1562 ILE 104) 39.58442699 +1 -24.00399831 +1 57.20675315 +1 0.1788 H( 1563 ILE 104) 39.06196194 +1 -23.62925304 +1 55.56667056 +1 0.1564 H( 1564 ILE 104) 38.89761518 +1 -22.42324851 +1 56.84015538 +1 0.1616 H( 1565 ILE 104) 37.98500443 +1 -25.15251694 +1 54.37774451 +1 0.1522 H( 1566 ILE 104) 37.01555597 +1 -26.60705183 +1 54.57617447 +1 0.1455 H( 1567 ILE 104) 36.23668713 +1 -25.02785981 +1 54.50430604 +1 0.1318 N( 1568 LEU*105) 36.61100000 +0 -21.63400100 +0 58.79299900 +0 -0.4729 C( 1569 LEU*105) 36.83100100 +0 -20.31800100 +0 59.33100100 +0 -0.0255 C( 1570 LEU*105) 36.75899900 +0 -20.33000000 +0 60.85300100 +0 0.5486 O( 1571 LEU*105) 37.60599900 +0 -19.68899900 +0 61.48400100 +0 -0.6402 C( 1572 LEU 105) 35.81200000 +0 -19.31800100 +0 58.74100100 +0 -0.3593 C( 1573 LEU 105) 36.05699900 +0 -18.89699900 +0 57.28400000 +0 0.0624 C( 1574 LEU 105) 34.86700100 +0 -18.14500000 +0 56.72600200 +0 -0.5357 C( 1575 LEU 105) 37.31200000 +0 -18.08300000 +0 57.13999900 +0 -0.5181 H( 1576 LEU*105) 35.73339026 +1 -21.77656656 +1 58.25487302 +1 0.3227 H( 1577 LEU*105) 37.88231765 +1 -19.96745458 +1 59.07468793 +1 0.1885 H( 1578 LEU 105) 34.78794511 +1 -19.73583487 +1 58.83982778 +1 0.1549 H( 1579 LEU 105) 35.81134116 +1 -18.40888338 +1 59.38388282 +1 0.1709 H( 1580 LEU 105) 36.17299800 +1 -19.84305757 +1 56.68075456 +1 0.1208 H( 1581 LEU 105) 34.66567296 +1 -17.21885931 +1 57.28156559 +1 0.1670 H( 1582 LEU 105) 35.04635216 +1 -17.83571135 +1 55.68813688 +1 0.1530 H( 1583 LEU 105) 33.95704165 +1 -18.75256348 +1 56.73285349 +1 0.1469 H( 1584 LEU 105) 37.26138987 +1 -17.13828918 +1 57.70169255 +1 0.1678 H( 1585 LEU 105) 38.20221444 +1 -18.61874725 +1 57.50431522 +1 0.1546 H( 1586 LEU 105) 37.50655043 +1 -17.80972383 +1 56.09524074 +1 0.1518 N( 1587 GLU*106) 35.79100000 +0 -20.97699900 +0 61.47000100 +0 -0.4357 C( 1588 GLU*106) 35.69400000 +0 -20.94899900 +0 62.92599900 +0 -0.0437 C( 1589 GLU*106) 36.88399900 +0 -21.65399900 +0 63.55199800 +0 0.5609 O( 1590 GLU*106) 37.36500200 +0 -21.24300000 +0 64.62500000 +0 -0.6613 C( 1591 GLU 106) 34.37300100 +0 -21.59800000 +0 63.37400100 +0 -0.2746 C( 1592 GLU 106) 34.18299900 +0 -21.47800100 +0 64.88999900 +0 -0.4117 C( 1593 GLU 106) 34.69900100 +0 -22.60700000 +0 65.69799800 +0 0.7066 O( 1594 GLU 106) 35.12099800 +0 -23.67000000 +0 65.24400300 +0 -0.6505 O( 1595 GLU 106) 34.66199900 +0 -22.46999900 +0 67.00299800 +0 -0.5222 H( 1596 GLU*106) 35.08621046 +1 -21.55446253 +1 60.96938174 +1 0.3209 H( 1597 GLU*106) 35.72735662 +1 -19.86339653 +1 63.28432072 +1 0.2148 H( 1598 GLU 106) 33.52184974 +1 -21.10289633 +1 62.85480698 +1 0.1797 H( 1599 GLU 106) 34.33773466 +1 -22.66879478 +1 63.06283812 +1 0.1834 H( 1600 GLU 106) 34.65415040 +1 -20.52478004 +1 65.26120893 +1 0.2271 H( 1601 GLU 106) 33.10116157 +1 -21.32016069 +1 65.13236309 +1 0.2084 N( 1602 GLU*107) 37.39500000 +0 -22.70000100 +0 62.93399800 +0 -0.4317 C( 1603 GLU*107) 38.54800000 +0 -23.39200000 +0 63.55199800 +0 -0.0140 C( 1604 GLU*107) 39.73700000 +0 -22.44100000 +0 63.61000100 +0 0.5604 O( 1605 GLU*107) 40.42599900 +0 -22.37900000 +0 64.64199800 +0 -0.6271 C( 1606 GLU 107) 38.85900100 +0 -24.58099900 +0 62.60400000 +0 -0.3158 C( 1607 GLU 107) 40.02800000 +0 -25.40500100 +0 63.05699900 +0 -0.3501 C( 1608 GLU 107) 40.21300100 +0 -26.67900100 +0 62.17400000 +0 0.6351 O( 1609 GLU 107) 40.42800100 +0 -26.45000100 +0 60.98600000 +0 -0.6269 O( 1610 GLU 107) 40.07099900 +0 -27.76199900 +0 62.72000100 +0 -0.4354 H( 1611 GLU*107) 36.92152446 +1 -23.18999829 +1 62.14659935 +1 0.3276 H( 1612 GLU*107) 38.31112182 +1 -23.74684296 +1 64.59631667 +1 0.1992 H( 1613 GLU 107) 37.93954804 +1 -25.21358190 +1 62.53441982 +1 0.1764 H( 1614 GLU 107) 39.02978872 +1 -24.20975580 +1 61.56611863 +1 0.1688 H( 1615 GLU 107) 40.98235807 +1 -24.83199062 +1 62.99766696 +1 0.1973 H( 1616 GLU 107) 39.92107335 +1 -25.69445810 +1 64.12784934 +1 0.1922 N( 1617 LYS*108) 39.95100000 +0 -21.63200000 +0 62.59100000 +0 -0.4479 C( 1618 LYS*108) 41.07300200 +0 -20.67600100 +0 62.59999800 +0 -0.0448 C( 1619 LYS*108) 40.84999800 +0 -19.55500000 +0 63.57099900 +0 0.5558 O( 1620 LYS*108) 41.74900100 +0 -19.15200000 +0 64.33300000 +0 -0.6401 C( 1621 LYS 108) 41.33300000 +0 -20.14399900 +0 61.20299900 +0 -0.3057 C( 1622 LYS 108) 42.40100100 +0 -19.11000100 +0 61.05099900 +0 -0.2336 C( 1623 LYS 108) 43.73099900 +0 -19.45900000 +0 61.63399900 +0 -0.3394 C( 1624 LYS 108) 44.45000100 +0 -20.54999900 +0 60.90000200 +0 -0.1007 N( 1625 LYS 108) 45.90399900 +0 -20.65700000 +0 61.33100100 +0 -0.6086 H( 1626 LYS*108) 39.36491682 +1 -21.63780788 +1 61.73699358 +1 0.3085 H( 1627 LYS*108) 42.00631480 +1 -21.23370606 +1 62.96093802 +1 0.2097 H( 1628 LYS 108) 41.58252127 +1 -21.02104153 +1 60.55151670 +1 0.1607 H( 1629 LYS 108) 40.37887402 +1 -19.74403450 +1 60.77729279 +1 0.1548 H( 1630 LYS 108) 42.51157662 +1 -18.87124466 +1 59.96640014 +1 0.1305 H( 1631 LYS 108) 42.05469758 +1 -18.15077573 +1 61.51008164 +1 0.1401 H( 1632 LYS 108) 44.36932233 +1 -18.54230837 +1 61.67650608 +1 0.1535 H( 1633 LYS 108) 43.62452994 +1 -19.73281578 +1 62.71411129 +1 0.1689 H( 1634 LYS 108) 43.96970030 +1 -21.54292930 +1 61.03990679 +1 0.1479 H( 1635 LYS 108) 44.46456088 +1 -20.36264367 +1 59.79568813 +1 0.1058 H( 1636 LYS 108) 46.25743108 +1 -19.74297210 +1 61.62505956 +1 0.2317 H( 1637 LYS 108) 45.96183116 +1 -21.28666967 +1 62.14147638 +1 0.2532 N( 1638 ILE*109) 39.66500100 +0 -18.97800100 +0 63.55799900 +0 -0.4343 C( 1639 ILE*109) 39.36700100 +0 -17.84700000 +0 64.42199700 +0 -0.1194 C( 1640 ILE*109) 39.40800100 +0 -18.25900100 +0 65.87400100 +0 0.5812 O( 1641 ILE*109) 39.93100000 +0 -17.52300100 +0 66.72300000 +0 -0.6675 C( 1642 ILE 109) 38.07300200 +0 -17.11899900 +0 63.99399900 +0 -0.0165 C( 1643 ILE 109) 38.30500000 +0 -16.40000000 +0 62.64400100 +0 -0.2554 C( 1644 ILE 109) 37.57799900 +0 -16.15500100 +0 65.02899900 +0 -0.4942 C( 1645 ILE 109) 37.04700100 +0 -15.85600000 +0 62.00899900 +0 -0.4580 H( 1646 ILE*109) 38.88174675 +1 -19.30846580 +1 62.95461289 +1 0.3232 H( 1647 ILE*109) 40.22496488 +1 -17.09186955 +1 64.32703128 +1 0.2028 H( 1648 ILE 109) 37.27213939 +1 -17.89911370 +1 63.82920458 +1 0.1465 H( 1649 ILE 109) 39.03638469 +1 -15.57435521 +1 62.78676368 +1 0.1464 H( 1650 ILE 109) 38.78237053 +1 -17.10722009 +1 61.93234180 +1 0.1303 H( 1651 ILE 109) 37.32509372 +1 -16.65277104 +1 65.97460615 +1 0.1450 H( 1652 ILE 109) 38.32152408 +1 -15.37542996 +1 65.26490620 +1 0.1735 H( 1653 ILE 109) 36.66785369 +1 -15.64065024 +1 64.68618155 +1 0.1684 H( 1654 ILE 109) 36.25667851 +1 -16.61657990 +1 61.95615944 +1 0.1487 H( 1655 ILE 109) 36.63841983 +1 -15.00965514 +1 62.57689834 +1 0.1458 H( 1656 ILE 109) 37.23628992 +1 -15.49789116 +1 60.99137412 +1 0.1345 N( 1657 SER*110) 38.87799800 +0 -19.41900100 +0 66.21499600 +0 -0.4428 C( 1658 SER*110) 38.98799900 +0 -19.90500100 +0 67.59200300 +0 -0.0754 C( 1659 SER*110) 40.42800100 +0 -20.25400000 +0 67.94400000 +0 0.5215 O( 1660 SER*110) 40.77100000 +0 -20.00200100 +0 69.13099700 +0 -0.6284 C( 1661 SER 110) 38.09800000 +0 -21.11300100 +0 67.79100000 +0 -0.0042 O( 1662 SER 110) 36.74599800 +0 -20.68700000 +0 67.74600200 +0 -0.6157 H( 1663 SER*110) 38.38959219 +1 -20.04558131 +1 65.54255526 +1 0.3299 H( 1664 SER*110) 38.66205349 +1 -19.08285502 +1 68.32102315 +1 0.2307 H( 1665 SER 110) 38.25857061 +1 -21.88783196 +1 67.00608878 +1 0.1468 H( 1666 SER 110) 38.27455487 +1 -21.57027737 +1 68.79082061 +1 0.1446 H( 1667 SER 110) 36.13981437 +1 -21.45990521 +1 67.58599472 +1 0.3527 N( 1668 GLN*111) 41.23099900 +0 -20.73600000 +0 67.04699700 +0 -0.4129 C( 1669 GLN*111) 42.67100100 +0 -20.93000000 +0 67.33200100 +0 -0.0454 C( 1670 GLN*111) 43.29900000 +0 -19.63100100 +0 67.78600300 +0 0.5531 O( 1671 GLN*111) 44.21900200 +0 -19.64300000 +0 68.60700200 +0 -0.5974 C( 1672 GLN 111) 43.38999900 +0 -21.41799900 +0 66.06199600 +0 -0.2779 C( 1673 GLN 111) 44.94400000 +0 -21.42900100 +0 66.15300000 +0 -0.3946 C( 1674 GLN 111) 45.59899900 +0 -21.21500000 +0 64.81600200 +0 0.5993 O( 1675 GLN 111) 45.22100100 +0 -21.86200000 +0 63.80500000 +0 -0.6290 N( 1676 GLN 111) 46.68999900 +0 -20.45100000 +0 64.73100300 +0 -0.5349 H( 1677 GLN*111) 40.92884056 +1 -21.00477930 +1 66.08345568 +1 0.3265 H( 1678 GLN*111) 42.79051439 +1 -21.67829156 +1 68.17106415 +1 0.1921 H( 1679 GLN 111) 43.03312144 +1 -22.43388827 +1 65.79113350 +1 0.1743 H( 1680 GLN 111) 43.08872639 +1 -20.77336286 +1 65.19684924 +1 0.1853 H( 1681 GLN 111) 45.29299646 +1 -20.70285422 +1 66.92108877 +1 0.1909 H( 1682 GLN 111) 45.27184075 +1 -22.42056656 +1 66.54073446 +1 0.1896 H( 1683 GLN 111) 47.13905363 +1 -20.28253180 +1 63.83415435 +1 0.2801 H( 1684 GLN 111) 47.01105936 +1 -19.84332582 +1 65.47372532 +1 0.2755 N( 1685 ARG*112) 42.90100100 +0 -18.49000000 +0 67.23100300 +0 -0.4500 C( 1686 ARG*112) 43.41600000 +0 -17.17300000 +0 67.45099600 +0 -0.0418 C( 1687 ARG*112) 42.69800200 +0 -16.41400000 +0 68.55600000 +0 0.5394 O( 1688 ARG*112) 42.93899900 +0 -15.20000000 +0 68.73600000 +0 -0.6765 C( 1689 ARG 112) 43.41700000 +0 -16.34600100 +0 66.17199700 +0 -0.2888 C( 1690 ARG 112) 44.24499900 +0 -16.86000100 +0 65.05400100 +0 -0.2850 C( 1691 ARG 112) 45.72200000 +0 -16.93199900 +0 65.35399600 +0 -0.0995 N( 1692 ARG 112) 46.25700000 +0 -15.58700000 +0 65.50199900 +0 -0.5136 C( 1693 ARG 112) 47.42900100 +0 -15.23600000 +0 65.96900200 +0 0.5273 N( 1694 ARG 112) 48.24100100 +0 -16.17900100 +0 66.45900000 +0 -0.5450 N( 1695 ARG 112) 47.70200000 +0 -13.96400000 +0 66.15000200 +0 -0.7686 H( 1696 ARG*112) 42.17031574 +1 -18.51198603 +1 66.47726256 +1 0.3132 H( 1697 ARG*112) 44.49553300 +1 -17.25260743 +1 67.82600487 +1 0.1889 H( 1698 ARG 112) 42.36111964 +1 -16.21365540 +1 65.82583339 +1 0.1603 H( 1699 ARG 112) 43.74772986 +1 -15.30915008 +1 66.45127649 +1 0.1789 H( 1700 ARG 112) 43.88524662 +1 -17.86928282 +1 64.73242696 +1 0.1570 H( 1701 ARG 112) 44.07827520 +1 -16.22560426 +1 64.14546828 +1 0.1644 H( 1702 ARG 112) 45.90124716 +1 -17.53422446 +1 66.27873911 +1 0.1180 H( 1703 ARG 112) 46.25336251 +1 -17.47210047 +1 64.52540476 +1 0.1368 H( 1704 ARG 112) 45.62554992 +1 -14.83184713 +1 65.14053524 +1 0.3233 H( 1705 ARG 112) 47.84478208 +1 -16.94695615 +1 66.98912649 +1 0.2504 H( 1706 ARG 112) 49.12281643 +1 -15.86320180 +1 66.86439168 +1 0.2720 H( 1707 ARG 112) 47.08408130 +1 -13.26886802 +1 65.71316903 +1 0.2750 N( 1708 GLY*113) 41.91700000 +0 -17.08499900 +0 69.34400200 +0 -0.3463 C( 1709 GLY*113) 41.31600200 +0 -16.58700000 +0 70.53900100 +0 -0.2893 C( 1710 GLY*113) 39.88900000 +0 -16.19300100 +0 70.50099900 +0 0.6101 O( 1711 GLY*113) 39.29600100 +0 -15.81700000 +0 71.54100000 +0 -0.6499 H( 1712 GLY*113) 41.69115359 +1 -18.09730709 +1 69.18376448 +1 0.3122 H( 1713 GLY*113) 41.43322442 +1 -17.34619527 +1 71.37231178 +1 0.2140 H( 1714 GLY*113) 41.89442449 +1 -15.69292272 +1 70.94277467 +1 0.2297 N( 1715 GLY*114) 39.22100100 +0 -16.29600000 +0 69.36100000 +0 -0.4154 C( 1716 GLY*114) 37.80500000 +0 -15.85100000 +0 69.31199600 +0 -0.2513 C( 1717 GLY*114) 36.92300000 +0 -16.83200100 +0 70.01400000 +0 0.5655 O( 1718 GLY*114) 37.15800100 +0 -18.04900000 +0 70.05699900 +0 -0.6256 H( 1719 GLY*114) 39.55595113 +1 -16.80497882 +1 68.52316721 +1 0.3184 H( 1720 GLY*114) 37.74683645 +1 -14.81944250 +1 69.77679155 +1 0.2248 H( 1721 GLY*114) 37.49700909 +1 -15.73395369 +1 68.24655245 +1 0.1753 N( 1722 LYS*115) 35.83499900 +0 -16.31600000 +0 70.64600400 +0 -0.4504 C( 1723 LYS*115) 34.93199900 +0 -17.19300100 +0 71.31300400 +0 -0.0563 C( 1724 LYS*115) 33.63399900 +0 -17.35899900 +0 70.52899900 +0 0.5417 O( 1725 LYS*115) 32.99000200 +0 -16.32099900 +0 70.29200000 +0 -0.6699 C( 1726 LYS 115) 34.59000000 +0 -16.70100000 +0 72.73799900 +0 -0.2689 C( 1727 LYS 115) 33.40300000 +0 -17.44500000 +0 73.33300000 +0 -0.2647 C( 1728 LYS 115) 33.75299800 +0 -18.27300100 +0 74.53600300 +0 -0.2771 C( 1729 LYS 115) 32.57500100 +0 -19.15200000 +0 74.97000100 +0 -0.1586 N( 1730 LYS 115) 32.94300100 +0 -20.59600100 +0 74.94999700 +0 -0.5441 H( 1731 LYS*115) 35.62212840 +1 -15.29395009 +1 70.68917073 +1 0.3356 H( 1732 LYS*115) 35.42834316 +1 -18.21630934 +1 71.43663314 +1 0.1764 H( 1733 LYS 115) 35.49487635 +1 -16.78701240 +1 73.37425117 +1 0.1595 H( 1734 LYS 115) 34.36553365 +1 -15.60614022 +1 72.70523554 +1 0.1785 H( 1735 LYS 115) 32.62201808 +1 -16.69677332 +1 73.60788429 +1 0.1488 H( 1736 LYS 115) 32.88733129 +1 -18.09330158 +1 72.59379254 +1 0.1440 H( 1737 LYS 115) 34.64549525 +1 -18.90445330 +1 74.32006398 +1 0.1497 H( 1738 LYS 115) 34.06908779 +1 -17.62148727 +1 75.37763341 +1 0.1405 H( 1739 LYS 115) 32.21103730 +1 -18.83337403 +1 75.97183095 +1 0.1300 H( 1740 LYS 115) 31.69779941 +1 -19.02598443 +1 74.29350617 +1 0.1350 H( 1741 LYS 115) 33.96738207 +1 -20.70835242 +1 74.95715886 +1 0.2483 H( 1742 LYS 115) 32.61254102 +1 -21.05824477 +1 75.79435994 +1 0.2138 N( 1743 THR*116) 33.26900100 +0 -18.51199900 +0 70.10800200 +0 -0.3862 C( 1744 THR*116) 32.12099800 +0 -18.79900000 +0 69.31099700 +0 -0.1915 C( 1745 THR*116) 30.84700000 +0 -18.73200000 +0 70.10900100 +0 0.5938 O( 1746 THR*116) 30.71500000 +0 -19.37299900 +0 71.16000400 +0 -0.6782 C( 1747 THR 116) 32.22000100 +0 -20.20200000 +0 68.64199800 +0 0.2421 O( 1748 THR 116) 33.41799900 +0 -20.19599900 +0 67.84400200 +0 -0.5998 C( 1749 THR 116) 31.04100000 +0 -20.43899900 +0 67.72899600 +0 -0.5575 H( 1750 THR*116) 33.81668227 +1 -19.37699962 +1 70.38372906 +1 0.3204 H( 1751 THR*116) 32.07455433 +1 -18.01648313 +1 68.46320629 +1 0.2230 H( 1752 THR 116) 32.39607842 +1 -21.02488372 +1 69.37103541 +1 0.1494 H( 1753 THR 116) 33.59292424 +1 -19.32074013 +1 67.41662554 +1 0.3330 H( 1754 THR 116) 30.77273054 +1 -19.55984450 +1 67.12668045 +1 0.1772 H( 1755 THR 116) 31.26054486 +1 -21.25035299 +1 67.01915850 +1 0.1827 H( 1756 THR 116) 30.13824334 +1 -20.73920220 +1 68.27813127 +1 0.1777 N( 1757 VAL*117) 29.88200000 +0 -18.02199900 +0 69.55799900 +0 -0.3936 C( 1758 VAL*117) 28.52000000 +0 -17.94400000 +0 70.07599600 +0 -0.1129 C( 1759 VAL*117) 27.57399900 +0 -18.26199900 +0 68.92400400 +0 0.5418 O( 1760 VAL*117) 27.98500100 +0 -18.10300100 +0 67.76599900 +0 -0.6256 C( 1761 VAL 117) 28.15200000 +0 -16.63400100 +0 70.73700000 +0 0.0275 C( 1762 VAL 117) 28.99700000 +0 -16.41900100 +0 72.01200100 +0 -0.5149 C( 1763 VAL 117) 28.26100000 +0 -15.46500000 +0 69.82199900 +0 -0.5172 H( 1764 VAL*117) 30.04329167 +1 -17.44016740 +1 68.69178629 +1 0.3421 H( 1765 VAL*117) 28.41765220 +1 -18.76466935 +1 70.86356902 +1 0.1785 H( 1766 VAL 117) 27.07643963 +1 -16.72426113 +1 71.07151345 +1 0.1172 H( 1767 VAL 117) 28.89109375 +1 -17.23752408 +1 72.73042342 +1 0.1600 H( 1768 VAL 117) 30.06643384 +1 -16.31950081 +1 71.77872884 +1 0.1798 H( 1769 VAL 117) 28.70875000 +1 -15.49143458 +1 72.52539712 +1 0.1736 H( 1770 VAL 117) 29.29875650 +1 -15.27009697 +1 69.50557994 +1 0.1726 H( 1771 VAL 117) 27.67054265 +1 -15.57716108 +1 68.90241741 +1 0.1585 H( 1772 VAL 117) 27.91933987 +1 -14.53251916 +1 70.30232537 +1 0.1785 N( 1773 GLY*118) 26.35500000 +0 -18.69199900 +0 69.18199900 +0 -0.4038 C( 1774 GLY*118) 25.38699900 +0 -18.91500100 +0 68.14499700 +0 -0.2907 C( 1775 GLY*118) 25.30699900 +0 -20.28500000 +0 67.54799700 +0 0.5747 O( 1776 GLY*118) 24.85600100 +0 -20.47100100 +0 66.39800300 +0 -0.6409 H( 1777 GLY*118) 25.92938169 +1 -18.59828583 +1 70.12852744 +1 0.3041 H( 1778 GLY*118) 24.36051335 +1 -18.61159445 +1 68.50106341 +1 0.2092 H( 1779 GLY*118) 25.57259313 +1 -18.20205423 +1 67.27749504 +1 0.2167 N( 1780 TYR*119) 25.69100000 +0 -21.34100000 +0 68.28399700 +0 -0.3853 C( 1781 TYR*119) 25.55800100 +0 -22.70500000 +0 67.83200100 +0 -0.0593 C( 1782 TYR*119) 24.11300100 +0 -23.04500000 +0 67.49900100 +0 0.5656 O( 1783 TYR*119) 23.19199900 +0 -22.45100000 +0 68.10399600 +0 -0.6611 C( 1784 TYR 119) 26.10199900 +0 -23.66000000 +0 68.89399700 +0 -0.3146 C( 1785 TYR 119) 27.57399900 +0 -23.63400100 +0 69.14299800 +0 -0.0253 C( 1786 TYR 119) 28.46800000 +0 -24.35899900 +0 68.40399900 +0 -0.0746 C( 1787 TYR 119) 28.09499900 +0 -22.80600000 +0 70.15899700 +0 -0.0767 C( 1788 TYR 119) 29.83200100 +0 -24.33000000 +0 68.67299700 +0 -0.2862 C( 1789 TYR 119) 29.45100000 +0 -22.75700000 +0 70.40799700 +0 -0.3244 C( 1790 TYR 119) 30.30900000 +0 -23.51100000 +0 69.67199700 +0 0.3444 O( 1791 TYR 119) 31.68000000 +0 -23.48300000 +0 69.92099800 +0 -0.5343 H( 1792 TYR*119) 25.98894862 +1 -21.22045713 +1 69.26241413 +1 0.2927 H( 1793 TYR*119) 26.19242834 +1 -22.82482716 +1 66.88683174 +1 0.1942 H( 1794 TYR 119) 25.54792077 +1 -23.51527884 +1 69.85122704 +1 0.1656 H( 1795 TYR 119) 25.81637107 +1 -24.70184801 +1 68.59982686 +1 0.1673 H( 1796 TYR 119) 28.11019324 +1 -24.99768007 +1 67.58598953 +1 0.1500 H( 1797 TYR 119) 27.41724472 +1 -22.20494229 +1 70.77060819 +1 0.1165 H( 1798 TYR 119) 30.52180177 +1 -24.94966904 +1 68.09639103 +1 0.1718 H( 1799 TYR 119) 29.83424077 +1 -22.08958240 +1 71.19832485 +1 0.2053 H( 1800 TYR 119) 31.90945718 +1 -22.86852392 +1 70.69096981 +1 0.3746 N( 1801 TRP*120) 23.92900100 +0 -23.85400000 +0 66.50099900 +0 -0.3946 C( 1802 TRP*120) 22.64100100 +0 -24.08300000 +0 65.88600200 +0 -0.0836 C( 1803 TRP*120) 22.36000100 +0 -25.55200000 +0 65.67900100 +0 0.5854 O( 1804 TRP*120) 23.19899900 +0 -26.36599900 +0 65.32800300 +0 -0.6547 C( 1805 TRP 120) 22.66900100 +0 -23.34300000 +0 64.51499900 +0 -0.2575 C( 1806 TRP 120) 21.35000000 +0 -23.34800000 +0 63.80600000 +0 -0.1367 C( 1807 TRP 120) 21.04999900 +0 -24.04100000 +0 62.66500100 +0 -0.0942 C( 1808 TRP 120) 20.17499900 +0 -22.59000000 +0 64.12500000 +0 -0.0825 N( 1809 TRP 120) 19.77500000 +0 -23.79500000 +0 62.28500000 +0 -0.2318 C( 1810 TRP 120) 19.20299900 +0 -22.90300000 +0 63.16899900 +0 0.0673 C( 1811 TRP 120) 19.87500000 +0 -21.69899900 +0 65.16999800 +0 -0.1131 C( 1812 TRP 120) 17.92700000 +0 -22.35199900 +0 63.18600100 +0 -0.2298 C( 1813 TRP 120) 18.57200100 +0 -21.14900000 +0 65.17099800 +0 -0.2085 C( 1814 TRP 120) 17.65200000 +0 -21.48500100 +0 64.21399700 +0 -0.0933 H( 1815 TRP*120) 24.72923219 +1 -24.34195732 +1 66.02052209 +1 0.3288 H( 1816 TRP*120) 21.82788481 +1 -23.60632767 +1 66.52655078 +1 0.2044 H( 1817 TRP 120) 22.97536514 +1 -22.28557619 +1 64.69860239 +1 0.1792 H( 1818 TRP 120) 23.46067562 +1 -23.76959458 +1 63.85821074 +1 0.1731 H( 1819 TRP 120) 21.68463846 +1 -24.74212750 +1 62.13072860 +1 0.1717 H( 1820 TRP 120) 19.32614809 +1 -24.17143077 +1 61.44906957 +1 0.2971 H( 1821 TRP 120) 20.60631042 +1 -21.43781653 +1 65.92725822 +1 0.1607 H( 1822 TRP 120) 17.19038326 +1 -22.61277801 +1 62.42664909 +1 0.1602 H( 1823 TRP 120) 18.30854723 +1 -20.44591024 +1 65.96642424 +1 0.1617 H( 1824 TRP 120) 16.65250677 +1 -21.02602116 +1 64.25766577 +1 0.1489 N( 1825 SER*121) 21.10400000 +0 -25.94899900 +0 65.94400000 +0 -0.4278 C( 1826 SER*121) 20.75099900 +0 -27.36500000 +0 65.82599600 +0 -0.1275 C( 1827 SER*121) 20.77199900 +0 -27.86700100 +0 64.38400300 +0 0.5827 O( 1828 SER*121) 20.42700000 +0 -27.15200000 +0 63.45700100 +0 -0.6246 C( 1829 SER 121) 19.31500100 +0 -27.51899900 +0 66.40399900 +0 -0.0071 O( 1830 SER 121) 18.76600100 +0 -28.79600000 +0 66.07499700 +0 -0.5650 H( 1831 SER*121) 20.32219334 +1 -25.27531841 +1 66.08716254 +1 0.3217 H( 1832 SER*121) 21.47966888 +1 -27.97078764 +1 66.44796245 +1 0.1916 H( 1833 SER 121) 19.31049979 +1 -27.37409994 +1 67.50200748 +1 0.1617 H( 1834 SER 121) 18.60011617 +1 -26.80943321 +1 65.92911377 +1 0.1750 H( 1835 SER 121) 19.18376483 +1 -29.50258029 +1 66.63121900 +1 0.3353 N( 1836 THR*122) 21.11300100 +0 -29.16500100 +0 64.23200200 +0 -0.4621 C( 1837 THR*122) 21.10100000 +0 -29.82399900 +0 62.95900000 +0 -0.1014 C( 1838 THR*122) 19.73100100 +0 -30.40399900 +0 62.58200100 +0 0.5391 O( 1839 THR*122) 19.63400100 +0 -30.98600000 +0 61.50299800 +0 -0.6645 C( 1840 THR 122) 22.11500000 +0 -30.98500100 +0 62.88299900 +0 0.2350 O( 1841 THR 122) 21.80600000 +0 -31.96299900 +0 63.86000100 +0 -0.6195 C( 1842 THR 122) 23.52899900 +0 -30.46400100 +0 63.20700100 +0 -0.5857 H( 1843 THR*122) 21.44000761 +1 -29.74463126 +1 65.04964907 +1 0.3294 H( 1844 THR*122) 21.36092246 +1 -29.08206243 +1 62.13417192 +1 0.1963 H( 1845 THR 122) 22.05842369 +1 -31.46406606 +1 61.87755535 +1 0.1221 H( 1846 THR 122) 22.55526574 +1 -32.60778514 +1 64.02635627 +1 0.3789 H( 1847 THR 122) 23.74623184 +1 -29.49625011 +1 62.73888410 +1 0.1844 H( 1848 THR 122) 23.66863423 +1 -30.35682669 +1 64.29405720 +1 0.1939 H( 1849 THR 122) 24.29744660 +1 -31.16739756 +1 62.86645957 +1 0.1723 N( 1850 ASP*123) 18.74399900 +0 -30.19000100 +0 63.40300000 +0 -0.4122 C( 1851 ASP*123) 17.37500000 +0 -30.71900000 +0 63.02600100 +0 0.0168 C( 1852 ASP*123) 16.87100000 +0 -29.96200000 +0 61.81800100 +0 0.5537 O( 1853 ASP*123) 16.91700000 +0 -28.73200000 +0 61.75600100 +0 -0.6384 C( 1854 ASP 123) 16.45599900 +0 -30.39800100 +0 64.19300100 +0 -0.4692 C( 1855 ASP 123) 16.59000000 +0 -31.34800000 +0 65.36000100 +0 0.7117 O( 1856 ASP 123) 17.36100000 +0 -32.30500000 +0 65.27899900 +0 -0.6444 O( 1857 ASP 123) 15.88900000 +0 -31.09700000 +0 66.38099700 +0 -0.4903 H( 1858 ASP*123) 18.79669694 +1 -29.66583667 +1 64.29893412 +1 0.3288 H( 1859 ASP*123) 17.46930287 +1 -31.83386963 +1 62.86171724 +1 0.2046 H( 1860 ASP 123) 16.57351264 +1 -29.34409425 +1 64.54173318 +1 0.2103 H( 1861 ASP 123) 15.37586207 +1 -30.44841225 +1 63.86626465 +1 0.2331 N( 1862 GLY*124) 16.27899900 +0 -30.72200000 +0 60.88700100 +0 -0.4239 C( 1863 GLY*124) 15.67800000 +0 -30.12599900 +0 59.71699900 +0 -0.2778 C( 1864 GLY*124) 16.56900000 +0 -30.03200000 +0 58.50099900 +0 0.5738 O( 1865 GLY*124) 16.17400000 +0 -29.40099900 +0 57.49900100 +0 -0.6623 H( 1866 GLY*124) 16.26280032 +1 -31.77854838 +1 60.93147278 +1 0.3323 H( 1867 GLY*124) 14.74748700 +1 -30.69174732 +1 59.43011225 +1 0.2080 H( 1868 GLY*124) 15.29794967 +1 -29.08229955 +1 59.94651774 +1 0.2108 N( 1869 TYR*125) 17.73200000 +0 -30.61300100 +0 58.53699900 +0 -0.3808 C( 1870 TYR*125) 18.63500000 +0 -30.66799900 +0 57.38299900 +0 -0.0704 C( 1871 TYR*125) 18.89300000 +0 -32.17400000 +0 57.06200000 +0 0.5598 O( 1872 TYR*125) 18.89300000 +0 -32.95299900 +0 57.97700100 +0 -0.5678 C( 1873 TYR 125) 20.00300000 +0 -30.06100100 +0 57.72399900 +0 -0.3013 C( 1874 TYR 125) 19.90600000 +0 -28.61100000 +0 58.15499900 +0 -0.0430 C( 1875 TYR 125) 19.69800000 +0 -28.30999900 +0 59.48799900 +0 -0.0832 C( 1876 TYR 125) 20.06200000 +0 -27.56200000 +0 57.28900100 +0 -0.0792 C( 1877 TYR 125) 19.61599900 +0 -27.00200100 +0 59.89899800 +0 -0.2975 C( 1878 TYR 125) 19.96100000 +0 -26.24300000 +0 57.68600100 +0 -0.3381 C( 1879 TYR 125) 19.76600100 +0 -25.97100100 +0 59.02000000 +0 0.3607 O( 1880 TYR 125) 19.68300100 +0 -24.67000000 +0 59.47300000 +0 -0.5405 H( 1881 TYR*125) 18.11224834 +1 -31.09736547 +1 59.37436639 +1 0.3126 H( 1882 TYR*125) 18.17021629 +1 -30.11183402 +1 56.51604603 +1 0.1939 H( 1883 TYR 125) 20.48487728 +1 -30.64980402 +1 58.53905542 +1 0.1680 H( 1884 TYR 125) 20.67835499 +1 -30.15662581 +1 56.85077008 +1 0.1466 H( 1885 TYR 125) 19.56337157 +1 -29.11670373 +1 60.22375362 +1 0.1767 H( 1886 TYR 125) 20.21741958 +1 -27.76430146 +1 56.22627371 +1 0.1061 H( 1887 TYR 125) 19.43561653 +1 -26.78426599 +1 60.96397446 +1 0.1942 H( 1888 TYR 125) 20.00791821 +1 -25.43257915 +1 56.95950607 +1 0.1644 H( 1889 TYR 125) 19.69688321 +1 -24.00411981 +1 58.71487039 +1 0.3755 N( 1890 ASP*126) 19.11700100 +0 -32.42400000 +0 55.80500000 +0 -0.4641 C( 1891 ASP*126) 19.43899900 +0 -33.76599900 +0 55.30699900 +0 -0.0139 C( 1892 ASP*126) 20.81100100 +0 -33.64099900 +0 54.59000000 +0 0.5860 O( 1893 ASP*126) 20.89800100 +0 -33.08400000 +0 53.52800000 +0 -0.6427 C( 1894 ASP 126) 18.35300100 +0 -34.15399900 +0 54.31399900 +0 -0.4190 C( 1895 ASP 126) 18.47500000 +0 -35.51599900 +0 53.70900000 +0 0.6544 O( 1896 ASP 126) 19.55299900 +0 -36.13700100 +0 53.80699900 +0 -0.6040 O( 1897 ASP 126) 17.48100100 +0 -35.99100100 +0 53.09600100 +0 -0.4631 H( 1898 ASP*126) 19.04429197 +1 -31.70865199 +1 55.06001439 +1 0.3133 H( 1899 ASP*126) 19.47990589 +1 -34.50950682 +1 56.16467070 +1 0.2093 H( 1900 ASP 126) 17.34704084 +1 -34.04426076 +1 54.79064737 +1 0.2038 H( 1901 ASP 126) 18.34334455 +1 -33.42132252 +1 53.46351429 +1 0.1980 N( 1902 PHE*127) 21.80800100 +0 -34.13600200 +0 55.29399900 +0 -0.4119 C( 1903 PHE*127) 23.17200100 +0 -34.12799800 +0 54.83100100 +0 -0.0682 C( 1904 PHE*127) 23.94899900 +0 -35.28200100 +0 55.44699900 +0 0.5734 O( 1905 PHE*127) 23.46299900 +0 -35.93800000 +0 56.37099800 +0 -0.6131 C( 1906 PHE 127) 23.84900100 +0 -32.77399800 +0 55.16700000 +0 -0.3213 C( 1907 PHE 127) 24.08900100 +0 -32.54999900 +0 56.62599900 +0 0.0477 C( 1908 PHE 127) 23.06200000 +0 -32.21200200 +0 57.48199800 +0 -0.1961 C( 1909 PHE 127) 25.36200000 +0 -32.72700100 +0 57.16299800 +0 -0.2321 C( 1910 PHE 127) 23.28599900 +0 -32.06100100 +0 58.83599900 +0 -0.1097 C( 1911 PHE 127) 25.58400000 +0 -32.60100200 +0 58.50999800 +0 -0.1156 C( 1912 PHE 127) 24.54299900 +0 -32.23500100 +0 59.36500200 +0 -0.1598 H( 1913 PHE*127) 21.64294622 +1 -34.68431346 +1 56.19082192 +1 0.3445 H( 1914 PHE*127) 23.17770682 +1 -34.24446186 +1 53.69806831 +1 0.1848 H( 1915 PHE 127) 24.80605261 +1 -32.71505310 +1 54.60140364 +1 0.1583 H( 1916 PHE 127) 23.21821784 +1 -31.95926359 +1 54.75087303 +1 0.1558 H( 1917 PHE 127) 22.04490006 +1 -32.09957551 +1 57.09310501 +1 0.1605 H( 1918 PHE 127) 26.19344630 +1 -32.99436673 +1 56.50037731 +1 0.1658 H( 1919 PHE 127) 22.44872788 +1 -31.80622570 +1 59.49425793 +1 0.1493 H( 1920 PHE 127) 26.58293900 +1 -32.77120073 +1 58.92096029 +1 0.1510 H( 1921 PHE 127) 24.72834515 +1 -32.11798763 +1 60.43429584 +1 0.1569 N( 1922 ASN*128) 25.13299900 +0 -35.54499800 +0 54.91899900 +0 -0.4447 C( 1923 ASN*128) 25.95500000 +0 -36.64300200 +0 55.40300000 +0 0.0112 C( 1924 ASN*128) 27.08900100 +0 -36.17400000 +0 56.29700100 +0 0.5463 O( 1925 ASN*128) 27.37700100 +0 -36.73000000 +0 57.33800100 +0 -0.5550 C( 1926 ASN 128) 26.56200000 +0 -37.46400100 +0 54.26800200 +0 -0.4678 C( 1927 ASN 128) 25.56200000 +0 -38.13800000 +0 53.36600100 +0 0.6285 O( 1928 ASN 128) 24.42799900 +0 -38.37500000 +0 53.76499900 +0 -0.6139 N( 1929 ASN 128) 25.95900000 +0 -38.35200100 +0 52.11600100 +0 -0.5654 H( 1930 ASN*128) 25.49262227 +1 -35.02791589 +1 54.09480154 +1 0.3086 H( 1931 ASN*128) 25.29043401 +1 -37.34109812 +1 56.02834625 +1 0.2283 H( 1932 ASN 128) 27.26792620 +1 -36.83657933 +1 53.66941122 +1 0.1913 H( 1933 ASN 128) 27.21114054 +1 -38.25866254 +1 54.71324715 +1 0.1974 H( 1934 ASN 128) 25.34215626 +1 -38.83470479 +1 51.43649858 +1 0.3162 H( 1935 ASN 128) 26.91621761 +1 -38.21306988 +1 51.79586149 +1 0.2903 N( 1936 ASP*129) 27.83499900 +0 -35.13800000 +0 55.82400100 +0 -0.4924 C( 1937 ASP*129) 28.98100100 +0 -34.69800200 +0 56.61800000 +0 -0.0107 C( 1938 ASP*129) 29.19199900 +0 -33.18399800 +0 56.45600100 +0 0.5548 O( 1939 ASP*129) 28.71699900 +0 -32.58900100 +0 55.51300000 +0 -0.6371 C( 1940 ASP 129) 30.23600000 +0 -35.43800000 +0 56.21500000 +0 -0.4443 C( 1941 ASP 129) 31.26400000 +0 -35.53799800 +0 57.33700200 +0 0.6701 O( 1942 ASP 129) 30.94800000 +0 -35.12699900 +0 58.47300000 +0 -0.6387 O( 1943 ASP 129) 32.38800000 +0 -35.98899800 +0 57.05600000 +0 -0.4639 H( 1944 ASP*129) 27.60693955 +1 -34.58121202 +1 54.98608770 +1 0.3137 H( 1945 ASP*129) 28.76531980 +1 -34.94274107 +1 57.71818656 +1 0.2136 H( 1946 ASP 129) 29.99226252 +1 -36.48674523 +1 55.87933346 +1 0.2355 H( 1947 ASP 129) 30.70636817 +1 -35.00640829 +1 55.30043956 +1 0.1988 N( 1948 SER*130) 29.84400000 +0 -32.62699900 +0 57.47200000 +0 -0.4365 C( 1949 SER*130) 30.09800000 +0 -31.19000100 +0 57.50099900 +0 -0.1290 C( 1950 SER*130) 31.26300000 +0 -30.87400100 +0 58.41000000 +0 0.5796 O( 1951 SER*130) 31.29000100 +0 -31.31500100 +0 59.54700100 +0 -0.6249 C( 1952 SER 130) 28.87200000 +0 -30.42600100 +0 58.03200100 +0 0.0181 O( 1953 SER 130) 29.22900000 +0 -29.03100000 +0 58.09400200 +0 -0.5972 H( 1954 SER*130) 30.23659505 +1 -33.18850625 +1 58.26531889 +1 0.3373 H( 1955 SER*130) 30.30143815 +1 -30.83066146 +1 56.43978229 +1 0.1929 H( 1956 SER 130) 27.99084880 +1 -30.55687914 +1 57.37988960 +1 0.1454 H( 1957 SER 130) 28.63228374 +1 -30.68225291 +1 59.08753956 +1 0.1623 H( 1958 SER 130) 29.32053086 +1 -28.64110960 +1 57.18581398 +1 0.3499 N( 1959 LYS*131) 32.19400000 +0 -30.01899900 +0 57.95900000 +0 -0.4684 C( 1960 LYS*131) 33.26100200 +0 -29.57700000 +0 58.82799900 +0 -0.0315 C( 1961 LYS*131) 32.72800100 +0 -28.53599900 +0 59.82700000 +0 0.5314 O( 1962 LYS*131) 33.49700200 +0 -28.13400100 +0 60.72000100 +0 -0.6169 C( 1963 LYS 131) 34.43399800 +0 -28.98700000 +0 58.06700100 +0 -0.3268 C( 1964 LYS 131) 35.25000000 +0 -30.00000000 +0 57.28799800 +0 -0.2469 C( 1965 LYS 131) 36.38999900 +0 -29.37000100 +0 56.58000200 +0 -0.3526 C( 1966 LYS 131) 37.33599900 +0 -30.49399900 +0 56.02299900 +0 -0.0885 N( 1967 LYS 131) 38.28500000 +0 -29.84499900 +0 55.11500200 +0 -0.5417 H( 1968 LYS*131) 32.25280100 +1 -29.73883380 +1 56.96251545 +1 0.3210 H( 1969 LYS*131) 33.63129441 +1 -30.44513235 +1 59.47111153 +1 0.2013 H( 1970 LYS 131) 34.10135360 +1 -28.16121450 +1 57.40285467 +1 0.1485 H( 1971 LYS 131) 35.10320103 +1 -28.47927548 +1 58.81784175 +1 0.2002 H( 1972 LYS 131) 35.61188251 +1 -30.79092002 +1 57.99034350 +1 0.1499 H( 1973 LYS 131) 34.59024727 +1 -30.54822521 +1 56.57547431 +1 0.1394 H( 1974 LYS 131) 36.04982744 +1 -28.71932840 +1 55.75168970 +1 0.1360 H( 1975 LYS 131) 36.97529291 +1 -28.71044754 +1 57.25442391 +1 0.1546 H( 1976 LYS 131) 37.86519806 +1 -31.01746631 +1 56.84612117 +1 0.1533 H( 1977 LYS 131) 36.75156686 +1 -31.26284195 +1 55.46472076 +1 0.1099 H( 1978 LYS 131) 37.81084732 +1 -29.22534879 +1 54.46051207 +1 0.2142 H( 1979 LYS 131) 38.95466001 +1 -29.27974025 +1 55.62986272 +1 0.2181 N( 1980 ALA*132) 31.48200000 +0 -28.16200100 +0 59.70000100 +0 -0.4565 C( 1981 ALA*132) 30.89699900 +0 -27.19800000 +0 60.65200000 +0 -0.0387 C( 1982 ALA*132) 30.31300000 +0 -27.86300100 +0 61.87200200 +0 0.5673 O( 1983 ALA*132) 29.72600000 +0 -27.17100000 +0 62.72300000 +0 -0.6757 C( 1984 ALA 132) 29.85899900 +0 -26.34499900 +0 59.96099900 +0 -0.4827 H( 1985 ALA*132) 30.81298705 +1 -28.49087848 +1 58.96995358 +1 0.3257 H( 1986 ALA*132) 31.73847896 +1 -26.52824648 +1 61.04888633 +1 0.2115 H( 1987 ALA 132) 29.03571438 +1 -26.94620083 +1 59.54226003 +1 0.1711 H( 1988 ALA 132) 29.42042232 +1 -25.61343080 +1 60.65574894 +1 0.1773 H( 1989 ALA 132) 30.28888501 +1 -25.78596102 +1 59.11197883 +1 0.1789 N( 1990 LEU*133) 30.32600000 +0 -29.18499900 +0 61.94800200 +0 -0.4078 C( 1991 LEU*133) 29.77400000 +0 -29.89300000 +0 63.11299900 +0 -0.0438 C( 1992 LEU*133) 30.70100000 +0 -29.75400000 +0 64.32199900 +0 0.5534 O( 1993 LEU*133) 31.92700000 +0 -29.89500000 +0 64.23400100 +0 -0.6656 C( 1994 LEU 133) 29.63800000 +0 -31.36300100 +0 62.75999800 +0 -0.3378 C( 1995 LEU 133) 28.52100000 +0 -31.76000000 +0 61.84199900 +0 0.0398 C( 1996 LEU 133) 28.70599900 +0 -33.21200200 +0 61.36999900 +0 -0.5109 C( 1997 LEU 133) 27.16099900 +0 -31.54800000 +0 62.48700000 +0 -0.5049 H( 1998 LEU*133) 30.88140697 +1 -29.78699258 +1 61.31172438 +1 0.3108 H( 1999 LEU*133) 28.75558049 +1 -29.44144840 +1 63.35205077 +1 0.1974 H( 2000 LEU 133) 30.61075906 +1 -31.71831261 +1 62.32347400 +1 0.1685 H( 2001 LEU 133) 29.55313493 +1 -31.94969368 +1 63.70767422 +1 0.1565 H( 2002 LEU 133) 28.56610861 +1 -31.11351883 +1 60.91617647 +1 0.1037 H( 2003 LEU 133) 29.64635810 +1 -33.33577150 +1 60.81867263 +1 0.1600 H( 2004 LEU 133) 28.71406815 +1 -33.92925629 +1 62.19722906 +1 0.1568 H( 2005 LEU 133) 27.89052664 +1 -33.52119220 +1 60.70646708 +1 0.1591 H( 2006 LEU 133) 27.00271141 +1 -32.20357109 +1 63.35159317 +1 0.1617 H( 2007 LEU 133) 27.02919248 +1 -30.51256138 +1 62.82917062 +1 0.1606 H( 2008 LEU 133) 26.34936343 +1 -31.75603622 +1 61.77881984 +1 0.1439 N( 2009 ARG*134) 30.10300100 +0 -29.52199900 +0 65.46099900 +0 -0.3933 C( 2010 ARG*134) 30.69599900 +0 -29.41000000 +0 66.75099900 +0 -0.0783 C( 2011 ARG*134) 29.85800000 +0 -30.15700000 +0 67.81600200 +0 0.5531 O( 2012 ARG*134) 28.88200000 +0 -29.62800000 +0 68.33100100 +0 -0.6047 C( 2013 ARG 134) 30.91400000 +0 -27.96999900 +0 67.19699900 +0 -0.2907 C( 2014 ARG 134) 31.64200000 +0 -27.10899900 +0 66.15300000 +0 -0.2881 C( 2015 ARG 134) 33.12500000 +0 -27.36899900 +0 66.20200300 +0 -0.0885 N( 2016 ARG 134) 33.86500200 +0 -26.37700100 +0 65.38300300 +0 -0.5390 C( 2017 ARG 134) 34.05400100 +0 -26.60400000 +0 64.06099700 +0 0.5422 N( 2018 ARG 134) 33.60599900 +0 -27.71600000 +0 63.53799800 +0 -0.5706 N( 2019 ARG 134) 34.73500100 +0 -25.71800000 +0 63.33800100 +0 -0.8039 H( 2020 ARG*134) 29.08396135 +1 -29.23722991 +1 65.46105715 +1 0.3372 H( 2021 ARG*134) 31.73417641 +1 -29.88733959 +1 66.70784838 +1 0.1765 H( 2022 ARG 134) 29.92713740 +1 -27.50252755 +1 67.42772562 +1 0.1652 H( 2023 ARG 134) 31.45778250 +1 -27.94988842 +1 68.16452839 +1 0.1588 H( 2024 ARG 134) 31.22849377 +1 -27.25673656 +1 65.13453919 +1 0.1622 H( 2025 ARG 134) 31.43288608 +1 -26.03911983 +1 66.37526251 +1 0.1420 H( 2026 ARG 134) 33.50462039 +1 -27.26657043 +1 67.25066810 +1 0.1448 H( 2027 ARG 134) 33.37178244 +1 -28.40980638 +1 65.88690408 +1 0.1376 H( 2028 ARG 134) 33.93261955 +1 -25.42719512 +1 65.77271814 +1 0.3092 H( 2029 ARG 134) 33.23531197 +1 -28.49578082 +1 64.08245668 +1 0.3004 H( 2030 ARG 134) 33.82710253 +1 -27.94740980 +1 62.56966456 +1 0.2947 H( 2031 ARG 134) 35.03746794 +1 -24.84667009 +1 63.77220105 +1 0.2835 N( 2032 ASN*135) 30.22600000 +0 -31.41799900 +0 68.05699900 +0 -0.4611 C( 2033 ASN*135) 29.52000000 +0 -32.20200000 +0 69.06700100 +0 -0.0066 C( 2034 ASN*135) 28.02000000 +0 -32.21900200 +0 68.82399700 +0 0.5354 O( 2035 ASN*135) 27.24300000 +0 -31.94300100 +0 69.77100400 +0 -0.6093 C( 2036 ASN 135) 29.76000000 +0 -31.54100000 +0 70.46099900 +0 -0.4709 C( 2037 ASN 135) 30.88500000 +0 -32.25199900 +0 71.18699600 +0 0.5983 O( 2038 ASN 135) 30.86800000 +0 -33.47600200 +0 71.30999800 +0 -0.5752 N( 2039 ASN 135) 31.86100000 +0 -31.47200000 +0 71.63099700 +0 -0.5363 H( 2040 ASN*135) 31.08705239 +1 -31.84373901 +1 67.66137037 +1 0.3168 H( 2041 ASN*135) 29.91106560 +1 -33.26171015 +1 69.08671928 +1 0.1907 H( 2042 ASN 135) 29.86367411 +1 -30.44203255 +1 70.38082796 +1 0.1988 H( 2043 ASN 135) 28.83032976 +1 -31.65336766 +1 71.08762792 +1 0.2356 H( 2044 ASN 135) 32.61175393 +1 -31.85328801 +1 72.20098732 +1 0.2757 H( 2045 ASN 135) 31.81393631 +1 -30.46033085 +1 71.62877049 +1 0.2768 N( 2046 GLY*136) 27.59600100 +0 -32.45600100 +0 67.62200200 +0 -0.3766 C( 2047 GLY*136) 26.25000000 +0 -32.59500100 +0 67.21800200 +0 -0.2814 C( 2048 GLY*136) 25.48200000 +0 -31.36500000 +0 66.83000200 +0 0.5965 O( 2049 GLY*136) 24.31399900 +0 -31.47100100 +0 66.45800000 +0 -0.6721 H( 2050 GLY*136) 28.27828495 +1 -32.66950892 +1 66.85604170 +1 0.3015 H( 2051 GLY*136) 26.16165865 +1 -33.33314778 +1 66.36780228 +1 0.2005 H( 2052 GLY*136) 25.62914048 +1 -33.08522665 +1 68.04410552 +1 0.2252 N( 2053 LYS*137) 26.10899900 +0 -30.19300100 +0 66.90699800 +0 -0.4149 C( 2054 LYS*137) 25.42600100 +0 -28.94599900 +0 66.51599900 +0 -0.0445 C( 2055 LYS*137) 26.28100000 +0 -28.32700000 +0 65.39499700 +0 0.5484 O( 2056 LYS*137) 27.45999900 +0 -28.66200100 +0 65.27200300 +0 -0.6761 C( 2057 LYS 137) 25.50000000 +0 -27.94300100 +0 67.71800200 +0 -0.2922 C( 2058 LYS 137) 24.52500000 +0 -28.35800000 +0 68.82900200 +0 -0.2758 C( 2059 LYS 137) 24.16700000 +0 -27.16099900 +0 69.70600100 +0 -0.2587 C( 2060 LYS 137) 23.33499900 +0 -27.59000000 +0 70.90499900 +0 -0.1473 N( 2061 LYS 137) 24.02400000 +0 -27.30999900 +0 72.19599900 +0 -0.5249 H( 2062 LYS*137) 27.06188276 +1 -30.06336678 +1 67.29545733 +1 0.3242 H( 2063 LYS*137) 24.36950348 +1 -29.13437649 +1 66.20079325 +1 0.1753 H( 2064 LYS 137) 26.53489801 +1 -27.88676115 +1 68.10836966 +1 0.1620 H( 2065 LYS 137) 25.24857373 +1 -26.92679619 +1 67.34655919 +1 0.1685 H( 2066 LYS 137) 23.60447869 +1 -28.79613701 +1 68.39691596 +1 0.1337 H( 2067 LYS 137) 24.97284169 +1 -29.17029534 +1 69.43908455 +1 0.1546 H( 2068 LYS 137) 25.09083380 +1 -26.64426328 +1 70.04741143 +1 0.1545 H( 2069 LYS 137) 23.61524533 +1 -26.40520872 +1 69.11343383 +1 0.1315 H( 2070 LYS 137) 22.37927928 +1 -27.01241623 +1 70.91718421 +1 0.1334 H( 2071 LYS 137) 23.03082649 +1 -28.66031817 +1 70.81371740 +1 0.1218 H( 2072 LYS 137) 23.42626623 +1 -27.57950804 +1 72.97349018 +1 0.2106 H( 2073 LYS 137) 24.86654792 +1 -27.87197885 +1 72.27349753 +1 0.2058 N( 2074 PHE*138) 25.69400000 +0 -27.43800000 +0 64.63200400 +0 -0.3968 C( 2075 PHE*138) 26.48100100 +0 -26.63699900 +0 63.70299900 +0 -0.0550 C( 2076 PHE*138) 27.13400100 +0 -25.48500100 +0 64.46700300 +0 0.5636 O( 2077 PHE*138) 26.55400100 +0 -24.94500000 +0 65.42800100 +0 -0.6453 C( 2078 PHE 138) 25.58499900 +0 -26.07600000 +0 62.61500200 +0 -0.3638 C( 2079 PHE 138) 25.15000000 +0 -26.98399900 +0 61.53400000 +0 0.0961 C( 2080 PHE 138) 26.06100100 +0 -27.66500100 +0 60.74700200 +0 -0.2030 C( 2081 PHE 138) 23.79700100 +0 -27.16300000 +0 61.25700000 +0 -0.2034 C( 2082 PHE 138) 25.66500100 +0 -28.52599900 +0 59.72800100 +0 -0.1167 C( 2083 PHE 138) 23.41600000 +0 -28.00400000 +0 60.22900000 +0 -0.1395 C( 2084 PHE 138) 24.31600000 +0 -28.63400100 +0 59.44100200 +0 -0.1947 H( 2085 PHE*138) 24.71615870 +1 -27.10931453 +1 64.78857971 +1 0.3341 H( 2086 PHE*138) 27.29061325 +1 -27.29959004 +1 63.24623102 +1 0.2019 H( 2087 PHE 138) 24.68897421 +1 -25.59623669 +1 63.09937116 +1 0.1904 H( 2088 PHE 138) 26.07158730 +1 -25.18203888 +1 62.14104570 +1 0.1831 H( 2089 PHE 138) 27.13376236 +1 -27.55468198 +1 60.94501712 +1 0.1611 H( 2090 PHE 138) 23.03673090 +1 -26.66523085 +1 61.86486541 +1 0.1626 H( 2091 PHE 138) 26.41201193 +1 -29.06622619 +1 59.14582810 +1 0.1482 H( 2092 PHE 138) 22.34001629 +1 -28.12547382 +1 60.03416590 +1 0.1525 H( 2093 PHE 138) 23.98709913 +1 -29.29016952 +1 58.62998229 +1 0.1452 N( 2094 VAL*139) 28.29900000 +0 -25.06800100 +0 63.98600000 +0 -0.4472 C( 2095 VAL*139) 29.01499900 +0 -23.94100000 +0 64.57800300 +0 -0.1118 C( 2096 VAL*139) 28.27300100 +0 -22.64200000 +0 64.44699900 +0 0.5974 O( 2097 VAL*139) 28.52800000 +0 -21.68400000 +0 65.16700000 +0 -0.6243 C( 2098 VAL 139) 30.42000000 +0 -23.82700000 +0 63.95299900 +0 -0.0029 C( 2099 VAL 139) 30.41000000 +0 -23.32200100 +0 62.55899800 +0 -0.5088 C( 2100 VAL 139) 31.44100000 +0 -23.27199900 +0 64.86100000 +0 -0.5025 H( 2101 VAL*139) 28.84450291 +1 -25.63433260 +1 63.29173128 +1 0.3345 H( 2102 VAL*139) 29.12791515 +1 -24.11833138 +1 65.69925991 +1 0.1968 H( 2103 VAL 139) 30.73856708 +1 -24.93500060 +1 63.84179032 +1 0.1461 H( 2104 VAL 139) 29.71867112 +1 -23.86637331 +1 61.90422060 +1 0.1432 H( 2105 VAL 139) 30.14916861 +1 -22.25374561 +1 62.49026932 +1 0.1678 H( 2106 VAL 139) 31.40819120 +1 -23.40425411 +1 62.09454324 +1 0.1681 H( 2107 VAL 139) 31.34675897 +1 -22.17915336 +1 64.99372324 +1 0.1689 H( 2108 VAL 139) 31.40625708 +1 -23.70868829 +1 65.87123487 +1 0.1664 H( 2109 VAL 139) 32.45518285 +1 -23.46975946 +1 64.47047683 +1 0.1756 N( 2110 GLY*140) 27.31600000 +0 -22.56600000 +0 63.50099900 +0 -0.4151 C( 2111 GLY*140) 26.47699900 +0 -21.37999900 +0 63.39400100 +0 -0.2631 C( 2112 GLY*140) 25.30699900 +0 -21.63900000 +0 62.47100100 +0 0.5754 O( 2113 GLY*140) 24.99799900 +0 -22.81900000 +0 62.22700100 +0 -0.6664 H( 2114 GLY*140) 27.00066668 +1 -23.36087712 +1 62.93200211 +1 0.2936 H( 2115 GLY*140) 26.08769619 +1 -21.06361035 +1 64.41318758 +1 0.2260 H( 2116 GLY*140) 27.08481040 +1 -20.49075335 +1 63.06063600 +1 0.1999 N( 2117 LEU*141) 24.64399900 +0 -20.59900100 +0 62.04000100 +0 -0.4026 C( 2118 LEU*141) 23.41900100 +0 -20.71200000 +0 61.25999800 +0 -0.0514 C( 2119 LEU*141) 23.65399900 +0 -21.28100000 +0 59.90300000 +0 0.5766 O( 2120 LEU*141) 24.38400100 +0 -20.65700000 +0 59.09100000 +0 -0.6823 C( 2121 LEU 141) 22.64900000 +0 -19.43800000 +0 61.24800100 +0 -0.3974 C( 2122 LEU 141) 21.27400000 +0 -19.39300000 +0 60.57199900 +0 0.0601 C( 2123 LEU 141) 20.29400100 +0 -20.35400000 +0 61.20200000 +0 -0.5284 C( 2124 LEU 141) 20.74600000 +0 -17.99799900 +0 60.48500100 +0 -0.5207 H( 2125 LEU*141) 25.02340350 +1 -19.62856021 +1 62.14324159 +1 0.3268 H( 2126 LEU*141) 22.76230626 +1 -21.46522058 +1 61.84765017 +1 0.1889 H( 2127 LEU 141) 22.50334597 +1 -19.09412436 +1 62.31006317 +1 0.2070 H( 2128 LEU 141) 23.27406576 +1 -18.62749862 +1 60.79658557 +1 0.1746 H( 2129 LEU 141) 21.43399428 +1 -19.75201488 +1 59.50795606 +1 0.1053 H( 2130 LEU 141) 20.60667464 +1 -21.39811135 +1 61.10250156 +1 0.1405 H( 2131 LEU 141) 20.15929859 +1 -20.17677477 +1 62.28183474 +1 0.1866 H( 2132 LEU 141) 19.28983559 +1 -20.28729416 +1 60.75164669 +1 0.1570 H( 2133 LEU 141) 21.41749889 +1 -17.32270492 +1 59.94047735 +1 0.1553 H( 2134 LEU 141) 19.76450660 +1 -17.95920359 +1 59.99358623 +1 0.1579 H( 2135 LEU 141) 20.60824088 +1 -17.55045804 +1 61.48456595 +1 0.1737 N( 2136 ALA*142) 22.98600000 +0 -22.36599900 +0 59.56499900 +0 -0.4069 C( 2137 ALA*142) 23.12900000 +0 -22.96999900 +0 58.22900000 +0 -0.0115 C( 2138 ALA*142) 21.89600000 +0 -22.60300100 +0 57.41000000 +0 0.5251 O( 2139 ALA*142) 20.76700000 +0 -22.97800100 +0 57.78699900 +0 -0.6517 C( 2140 ALA 142) 23.27199900 +0 -24.46900000 +0 58.37099800 +0 -0.4988 H( 2141 ALA*142) 22.35632931 +1 -22.86678645 +1 60.20942657 +1 0.3046 H( 2142 ALA*142) 24.06818190 +1 -22.54157617 +1 57.74995345 +1 0.1859 H( 2143 ALA 142) 22.34280613 +1 -24.93806447 +1 58.74900531 +1 0.1952 H( 2144 ALA 142) 23.50781960 +1 -24.95783992 +1 57.42109551 +1 0.1535 H( 2145 ALA 142) 24.06385166 +1 -24.73467042 +1 59.09199155 +1 0.1904 N( 2146 LEU*143) 22.07500100 +0 -21.86500000 +0 56.35200100 +0 -0.4031 C( 2147 LEU*143) 21.02000000 +0 -21.48800100 +0 55.43299900 +0 -0.0798 C( 2148 LEU*143) 21.23100100 +0 -22.25300000 +0 54.12400100 +0 0.5855 O( 2149 LEU*143) 22.33200100 +0 -22.54700100 +0 53.72200000 +0 -0.6672 C( 2150 LEU 143) 20.97900000 +0 -19.99799900 +0 55.20900000 +0 -0.2996 C( 2151 LEU 143) 20.59400000 +0 -19.10600100 +0 56.35699800 +0 -0.0485 C( 2152 LEU 143) 21.09199900 +0 -17.77700000 +0 56.47399900 +0 -0.4830 C( 2153 LEU 143) 19.36700100 +0 -19.48000000 +0 57.09700000 +0 -0.4958 H( 2154 LEU*143) 23.01047907 +1 -21.45354629 +1 56.12570793 +1 0.3281 H( 2155 LEU*143) 20.01809509 +1 -21.80738478 +1 55.90298938 +1 0.2220 H( 2156 LEU 143) 21.97576497 +1 -19.66137175 +1 54.82886189 +1 0.1375 H( 2157 LEU 143) 20.27871394 +1 -19.79513563 +1 54.35922679 +1 0.1469 H( 2158 LEU 143) 21.35750730 +1 -19.59951870 +1 57.14594379 +1 0.1448 H( 2159 LEU 143) 22.11681713 +1 -17.63732276 +1 56.08825032 +1 0.1538 H( 2160 LEU 143) 20.44800278 +1 -17.03308914 +1 55.95922447 +1 0.1681 H( 2161 LEU 143) 21.11788067 +1 -17.43308292 +1 57.52789905 +1 0.1662 H( 2162 LEU 143) 18.44255253 +1 -19.23849919 +1 56.54599498 +1 0.1522 H( 2163 LEU 143) 19.32119933 +1 -20.55826429 +1 57.32146077 +1 0.1579 H( 2164 LEU 143) 19.28813292 +1 -18.95556004 +1 58.06490084 +1 0.1772 N( 2165 ASP*144) 20.10100000 +0 -22.58700000 +0 53.47499800 +0 -0.4703 C( 2166 ASP*144) 20.13500000 +0 -23.25400000 +0 52.18999900 +0 0.0044 C( 2167 ASP*144) 19.10300100 +0 -22.59000000 +0 51.29299900 +0 0.5500 O( 2168 ASP*144) 17.89800100 +0 -22.90700000 +0 51.45999900 +0 -0.6525 C( 2169 ASP 144) 19.96900000 +0 -24.74200100 +0 52.33400000 +0 -0.4841 C( 2170 ASP 144) 20.04800000 +0 -25.53300100 +0 51.02500200 +0 0.7210 O( 2171 ASP 144) 19.80999900 +0 -24.90800100 +0 50.01100200 +0 -0.6017 O( 2172 ASP 144) 20.25799900 +0 -26.75400000 +0 51.07600000 +0 -0.6016 H( 2173 ASP*144) 19.14084626 +1 -22.39541020 +1 53.87717034 +1 0.3410 H( 2174 ASP*144) 21.18008366 +1 -23.11157886 +1 51.73021190 +1 0.1856 H( 2175 ASP 144) 20.72761648 +1 -25.11855046 +1 53.05842265 +1 0.1979 H( 2176 ASP 144) 18.97371235 +1 -24.96059123 +1 52.81074067 +1 0.2229 N( 2177 GLU*145) 19.51600100 +0 -21.65900000 +0 50.47000100 +0 -0.4138 C( 2178 GLU*145) 18.67400000 +0 -20.90099900 +0 49.58700200 +0 -0.0576 C( 2179 GLU*145) 18.41799900 +0 -21.69000100 +0 48.29499800 +0 0.5256 O( 2180 GLU*145) 17.45599900 +0 -21.33300000 +0 47.56900000 +0 -0.5999 C( 2181 GLU 145) 19.28800000 +0 -19.55200000 +0 49.23000000 +0 -0.2564 C( 2182 GLU 145) 19.39100100 +0 -18.57799900 +0 50.39899800 +0 -0.4590 C( 2183 GLU 145) 18.05500000 +0 -17.86800000 +0 50.63600200 +0 0.7108 O( 2184 GLU 145) 17.21900000 +0 -18.41400000 +0 51.34600100 +0 -0.5797 O( 2185 GLU 145) 17.84900100 +0 -16.78200000 +0 50.04800000 +0 -0.4583 H( 2186 GLU*145) 20.53668527 +1 -21.41783323 +1 50.40641507 +1 0.3186 H( 2187 GLU*145) 17.65210894 +1 -20.73682485 +1 50.06696902 +1 0.2062 H( 2188 GLU 145) 20.30019406 +1 -19.70116861 +1 48.78832373 +1 0.1607 H( 2189 GLU 145) 18.68388609 +1 -19.10139877 +1 48.40189913 +1 0.1856 H( 2190 GLU 145) 19.67485395 +1 -19.10438638 +1 51.33872083 +1 0.2093 H( 2191 GLU 145) 20.19909948 +1 -17.84518500 +1 50.21735444 +1 0.1597 N( 2192 ASP*146) 19.15099900 +0 -22.74000000 +0 48.03400000 +0 -0.4327 C( 2193 ASP*146) 18.91700000 +0 -23.57200100 +0 46.85400000 +0 0.0083 C( 2194 ASP*146) 17.77300100 +0 -24.55999900 +0 47.08599900 +0 0.5500 O( 2195 ASP*146) 17.00099900 +0 -24.80400100 +0 46.12099800 +0 -0.6043 C( 2196 ASP 146) 20.18000000 +0 -24.35600100 +0 46.50700000 +0 -0.4350 C( 2197 ASP 146) 21.32099900 +0 -23.45299900 +0 46.05300100 +0 0.6604 O( 2198 ASP 146) 21.10000000 +0 -22.55500000 +0 45.24000200 +0 -0.5856 O( 2199 ASP 146) 22.43100000 +0 -23.62100000 +0 46.57099900 +0 -0.5326 H( 2200 ASP*146) 19.95628127 +1 -23.03233106 +1 48.61817525 +1 0.3075 H( 2201 ASP*146) 18.61660127 +1 -22.91535655 +1 45.96915054 +1 0.2222 H( 2202 ASP 146) 20.49940552 +1 -25.00965143 +1 47.34636144 +1 0.1800 H( 2203 ASP 146) 19.95511514 +1 -25.04924279 +1 45.65014031 +1 0.2284 N( 2204 ASN*147) 17.60899900 +0 -25.11000100 +0 48.27299900 +0 -0.4237 C( 2205 ASN*147) 16.63100100 +0 -26.09300000 +0 48.63200000 +0 -0.0479 C( 2206 ASN*147) 15.62200000 +0 -25.72300000 +0 49.67300000 +0 0.5449 O( 2207 ASN*147) 14.51900000 +0 -26.29299900 +0 49.69599900 +0 -0.6346 C( 2208 ASN 147) 17.28800000 +0 -27.41500100 +0 49.06000100 +0 -0.4194 C( 2209 ASN 147) 18.33700000 +0 -27.84700000 +0 48.05300100 +0 0.6170 O( 2210 ASN 147) 17.97900000 +0 -28.08799900 +0 46.87799800 +0 -0.6020 N( 2211 ASN 147) 19.60300100 +0 -27.85199900 +0 48.44800200 +0 -0.5730 H( 2212 ASN*147) 18.29010695 +1 -24.89009793 +1 49.02977419 +1 0.3003 H( 2213 ASN*147) 16.02169713 +1 -26.32988673 +1 47.67435219 +1 0.2349 H( 2214 ASN 147) 17.68903781 +1 -27.34707754 +1 50.09036310 +1 0.1631 H( 2215 ASN 147) 16.50102940 +1 -28.20878336 +1 49.10271121 +1 0.2064 H( 2216 ASN 147) 20.34021120 +1 -28.11603314 +1 47.78523832 +1 0.3015 H( 2217 ASN 147) 19.91920901 +1 -27.55500277 +1 49.36314227 +1 0.2896 N( 2218 GLN*148) 15.92300000 +0 -24.80100100 +0 50.56900000 +0 -0.4085 C( 2219 GLN*148) 15.11400000 +0 -24.46999900 +0 51.69699900 +0 -0.0582 C( 2220 GLN*148) 14.94000000 +0 -22.97600000 +0 51.90300000 +0 0.5610 O( 2221 GLN*148) 14.95000000 +0 -22.44800000 +0 53.05199800 +0 -0.6658 C( 2222 GLN 148) 15.69000000 +0 -25.08400000 +0 52.98199800 +0 -0.2578 C( 2223 GLN 148) 15.73700000 +0 -26.58000000 +0 53.03200100 +0 -0.4522 C( 2224 GLN 148) 16.26000000 +0 -27.12200000 +0 54.36100000 +0 0.6075 O( 2225 GLN 148) 17.20299900 +0 -26.60899900 +0 54.93700000 +0 -0.6135 N( 2226 GLN 148) 15.70100000 +0 -28.26199900 +0 54.76300000 +0 -0.5195 H( 2227 GLN*148) 16.83226922 +1 -24.28222388 +1 50.55020163 +1 0.3115 H( 2228 GLN*148) 14.05990487 +1 -24.89585842 +1 51.55303044 +1 0.1999 H( 2229 GLN 148) 16.70710763 +1 -24.66241239 +1 53.16682282 +1 0.1585 H( 2230 GLN 148) 15.08693260 +1 -24.70043141 +1 53.84963214 +1 0.1958 H( 2231 GLN 148) 14.72024400 +1 -26.99263786 +1 52.80522513 +1 0.2003 H( 2232 GLN 148) 16.37076910 +1 -26.99337627 +1 52.22248944 +1 0.1466 H( 2233 GLN 148) 15.96558094 +1 -28.63365122 +1 55.69798484 +1 0.3217 H( 2234 GLN 148) 14.78498044 +1 -28.57351501 +1 54.44309991 +1 0.2895 N( 2235 SER*149) 14.75700000 +0 -22.20999900 +0 50.83599900 +0 -0.3892 C( 2236 SER*149) 14.59400000 +0 -20.78900000 +0 50.91899900 +0 -0.1457 C( 2237 SER*149) 13.42900000 +0 -20.37000100 +0 51.79200000 +0 0.6025 O( 2238 SER*149) 13.41500000 +0 -19.30400100 +0 52.41000000 +0 -0.6444 C( 2239 SER 149) 14.65100000 +0 -20.12800000 +0 49.58200100 +0 -0.0096 O( 2240 SER 149) 13.60600000 +0 -20.57600000 +0 48.74300000 +0 -0.5822 H( 2241 SER*149) 14.60060575 +1 -22.62976523 +1 49.89014368 +1 0.3172 H( 2242 SER*149) 15.50971406 +1 -20.37878766 +1 51.50217898 +1 0.2005 H( 2243 SER 149) 14.45905319 +1 -19.02596231 +1 49.66112990 +1 0.1914 H( 2244 SER 149) 15.62961291 +1 -20.27683505 +1 49.07591915 +1 0.1371 H( 2245 SER 149) 13.82303076 +1 -21.44874130 +1 48.30040713 +1 0.3394 N( 2246 ASP*150) 12.38900000 +0 -21.21900000 +0 51.79600100 +0 -0.4638 C( 2247 ASP*150) 11.17400000 +0 -20.87200000 +0 52.55500000 +0 -0.0181 C( 2248 ASP*150) 11.43700000 +0 -20.83700000 +0 54.05300100 +0 0.5670 O( 2249 ASP*150) 10.61300000 +0 -20.31200000 +0 54.78699900 +0 -0.5710 C( 2250 ASP 150) 10.07000000 +0 -21.89900000 +0 52.30099900 +0 -0.5364 C( 2251 ASP 150) 9.40800000 +0 -21.77400000 +0 50.94699900 +0 0.7130 O( 2252 ASP 150) 9.33700000 +0 -20.69599900 +0 50.39600000 +0 -0.5185 O( 2253 ASP 150) 8.92700000 +0 -22.84800000 +0 50.52800000 +0 -0.4671 H( 2254 ASP*150) 12.30609383 +1 -22.02145606 +1 51.14279955 +1 0.3254 H( 2255 ASP*150) 10.80215274 +1 -19.83690310 +1 52.23735182 +1 0.2271 H( 2256 ASP 150) 10.45111488 +1 -22.92525820 +1 52.48660168 +1 0.1863 H( 2257 ASP 150) 9.26933311 +1 -21.74431716 +1 53.07716321 +1 0.2332 N( 2258 LEU*151) 12.53600000 +0 -21.48399900 +0 54.50400200 +0 -0.4820 C( 2259 LEU*151) 12.83000000 +0 -21.50400000 +0 55.92800100 +0 -0.0496 C( 2260 LEU*151) 13.75600000 +0 -20.39900000 +0 56.38000100 +0 0.5482 O( 2261 LEU*151) 13.96200000 +0 -20.26400000 +0 57.61700100 +0 -0.6805 C( 2262 LEU 151) 13.52600000 +0 -22.86200000 +0 56.31200000 +0 -0.3365 C( 2263 LEU 151) 12.59800000 +0 -24.06399900 +0 56.02700000 +0 0.0464 C( 2264 LEU 151) 13.28800000 +0 -25.35300100 +0 56.37900200 +0 -0.5078 C( 2265 LEU 151) 11.29500000 +0 -23.91500100 +0 56.82199900 +0 -0.5218 H( 2266 LEU*151) 13.20456287 +1 -21.98845818 +1 53.89736388 +1 0.3158 H( 2267 LEU*151) 11.86176563 +1 -21.40695656 +1 56.52057139 +1 0.2139 H( 2268 LEU 151) 14.47406791 +1 -22.97055969 +1 55.75481204 +1 0.1449 H( 2269 LEU 151) 13.80678003 +1 -22.83653588 +1 57.38515571 +1 0.1785 H( 2270 LEU 151) 12.34925459 +1 -24.07230110 +1 54.93523908 +1 0.1041 H( 2271 LEU 151) 14.27968797 +1 -25.45242642 +1 55.91539437 +1 0.1564 H( 2272 LEU 151) 13.47361999 +1 -25.44032703 +1 57.46125079 +1 0.1702 H( 2273 LEU 151) 12.69732749 +1 -26.23225667 +1 56.08525453 +1 0.1424 H( 2274 LEU 151) 11.49580120 +1 -23.78356607 +1 57.89636140 +1 0.1721 H( 2275 LEU 151) 10.70169597 +1 -23.05330059 +1 56.49473069 +1 0.1625 H( 2276 LEU 151) 10.66276585 +1 -24.80602906 +1 56.73083095 +1 0.1654 N( 2277 THR*152) 14.37100000 +0 -19.69199900 +0 55.48500100 +0 -0.4052 C( 2278 THR*152) 15.42200000 +0 -18.72900000 +0 55.82799900 +0 -0.1205 C( 2279 THR*152) 14.99300000 +0 -17.63100100 +0 56.76499900 +0 0.5684 O( 2280 THR*152) 15.69300000 +0 -17.41400000 +0 57.77899900 +0 -0.6563 C( 2281 THR 152) 15.98200000 +0 -18.11300100 +0 54.52100000 +0 0.2063 O( 2282 THR 152) 16.76100000 +0 -19.14399900 +0 53.89600000 +0 -0.6175 C( 2283 THR 152) 16.93400000 +0 -16.99200100 +0 54.86999900 +0 -0.5513 H( 2284 THR*152) 14.15244386 +1 -19.74724368 +1 54.46916418 +1 0.3135 H( 2285 THR*152) 16.26330131 +1 -19.29027286 +1 56.35110965 +1 0.2012 H( 2286 THR 152) 15.16772535 +1 -17.78852148 +1 53.82813974 +1 0.1380 H( 2287 THR 152) 16.62381321 +1 -19.15705870 +1 52.92595023 +1 0.3419 H( 2288 THR 152) 17.61270524 +1 -17.25687289 +1 55.69682472 +1 0.1899 H( 2289 THR 152) 17.57150779 +1 -16.74495631 +1 54.01042080 +1 0.1694 H( 2290 THR 152) 16.40421513 +1 -16.06900759 +1 55.16025556 +1 0.1990 N( 2291 ASP*153) 13.86900000 +0 -16.98200000 +0 56.53200100 +0 -0.4297 C( 2292 ASP*153) 13.47700000 +0 -15.86900000 +0 57.39899800 +0 0.0176 C( 2293 ASP*153) 13.20300000 +0 -16.34000000 +0 58.80600000 +0 0.5557 O( 2294 ASP*153) 13.66900000 +0 -15.67700000 +0 59.77100000 +0 -0.6664 C( 2295 ASP 153) 12.23900000 +0 -15.15000000 +0 56.85500000 +0 -0.4326 C( 2296 ASP 153) 12.45700000 +0 -14.46800000 +0 55.54200000 +0 0.6703 O( 2297 ASP 153) 13.63300000 +0 -14.22600000 +0 55.19699900 +0 -0.6336 O( 2298 ASP 153) 11.45700000 +0 -14.21500000 +0 54.81600200 +0 -0.4354 H( 2299 ASP*153) 13.25503284 +1 -17.17948422 +1 55.70371827 +1 0.3352 H( 2300 ASP*153) 14.33240164 +1 -15.10921584 +1 57.45091051 +1 0.2162 H( 2301 ASP 153) 11.36082638 +1 -15.84208904 +1 56.79223290 +1 0.2142 H( 2302 ASP 153) 11.95365672 +1 -14.35111712 +1 57.60056538 +1 0.2345 N( 2303 ASP*154) 12.52000000 +0 -17.45599900 +0 59.02100000 +0 -0.4045 C( 2304 ASP*154) 12.25900000 +0 -17.95299900 +0 60.32600000 +0 -0.0424 C( 2305 ASP*154) 13.53700000 +0 -18.36300100 +0 61.08000200 +0 0.5671 O( 2306 ASP*154) 13.62900000 +0 -18.15200000 +0 62.29000100 +0 -0.6330 C( 2307 ASP 154) 11.21600000 +0 -19.05699900 +0 60.38600200 +0 -0.5201 C( 2308 ASP 154) 9.82200000 +0 -18.55500000 +0 60.01900100 +0 0.7171 O( 2309 ASP 154) 9.50800000 +0 -17.38999900 +0 60.29299900 +0 -0.5759 O( 2310 ASP 154) 9.04800000 +0 -19.33200100 +0 59.43199900 +0 -0.5716 H( 2311 ASP*154) 12.09389771 +1 -17.99149483 +1 58.22479737 +1 0.3259 H( 2312 ASP*154) 11.82794979 +1 -17.08381188 +1 60.96111862 +1 0.2269 H( 2313 ASP 154) 11.51530645 +1 -19.93175914 +1 59.76952527 +1 0.1879 H( 2314 ASP 154) 11.16333592 +1 -19.45098115 +1 61.43170679 +1 0.2123 N( 2315 ARG*155) 14.45800000 +0 -19.00900100 +0 60.37099800 +0 -0.4414 C( 2316 ARG*155) 15.73000000 +0 -19.43899900 +0 60.92699800 +0 -0.0353 C( 2317 ARG*155) 16.47800100 +0 -18.18300100 +0 61.39099900 +0 0.5452 O( 2318 ARG*155) 16.99300000 +0 -18.17300000 +0 62.51599900 +0 -0.6411 C( 2319 ARG 155) 16.57399900 +0 -20.19000100 +0 59.88600200 +0 -0.3109 C( 2320 ARG 155) 16.02400000 +0 -21.63699900 +0 59.71799900 +0 -0.2583 C( 2321 ARG 155) 16.71100000 +0 -22.33000000 +0 58.54200000 +0 -0.1250 N( 2322 ARG 155) 16.43600100 +0 -23.75300000 +0 58.55699900 +0 -0.5232 C( 2323 ARG 155) 16.74300000 +0 -24.59600100 +0 57.58599900 +0 0.5247 N( 2324 ARG 155) 17.18800000 +0 -24.20700100 +0 56.42800100 +0 -0.5553 N( 2325 ARG 155) 16.58099900 +0 -25.90000000 +0 57.82000000 +0 -0.7599 H( 2326 ARG*155) 14.33710734 +1 -19.18823850 +1 59.34889677 +1 0.3240 H( 2327 ARG*155) 15.55544622 +1 -20.08207214 +1 61.84451029 +1 0.1932 H( 2328 ARG 155) 16.56526723 +1 -19.65696389 +1 58.91302569 +1 0.1643 H( 2329 ARG 155) 17.63697453 +1 -20.23055178 +1 60.22321237 +1 0.1686 H( 2330 ARG 155) 16.17489493 +1 -22.20557713 +1 60.66071106 +1 0.1569 H( 2331 ARG 155) 14.93073090 +1 -21.60380544 +1 59.54116140 +1 0.1383 H( 2332 ARG 155) 16.34373636 +1 -21.87261656 +1 57.58912828 +1 0.1353 H( 2333 ARG 155) 17.81427030 +1 -22.13375011 +1 58.57497831 +1 0.1351 H( 2334 ARG 155) 16.34641578 +1 -24.14252172 +1 59.52861384 +1 0.3131 H( 2335 ARG 155) 17.10687670 +1 -23.25236473 +1 56.08001880 +1 0.2791 H( 2336 ARG 155) 17.36263319 +1 -24.91956794 +1 55.70677087 +1 0.3110 H( 2337 ARG 155) 16.53133316 +1 -26.18366505 +1 58.79835708 +1 0.2267 N( 2338 ILE*156) 16.51000000 +0 -17.17100000 +0 60.55699900 +0 -0.4433 C( 2339 ILE*156) 17.21200000 +0 -15.93500000 +0 60.95000100 +0 -0.0841 C( 2340 ILE*156) 16.56100100 +0 -15.32100000 +0 62.15599800 +0 0.5611 O( 2341 ILE*156) 17.29500000 +0 -14.86100000 +0 63.07899900 +0 -0.6859 C( 2342 ILE 156) 17.37100000 +0 -14.98800000 +0 59.78200100 +0 -0.0661 C( 2343 ILE 156) 18.28800000 +0 -15.49000000 +0 58.70200000 +0 -0.2503 C( 2344 ILE 156) 17.75499900 +0 -13.59100000 +0 60.25600100 +0 -0.4811 C( 2345 ILE 156) 18.27700000 +0 -14.79300000 +0 57.38499800 +0 -0.4528 H( 2346 ILE*156) 16.01548450 +1 -17.14745553 +1 59.63792297 +1 0.3358 H( 2347 ILE*156) 18.25761568 +1 -16.23908040 +1 61.30411807 +1 0.1902 H( 2348 ILE 156) 16.34252288 +1 -14.87653852 +1 59.30544356 +1 0.1448 H( 2349 ILE 156) 19.33402887 +1 -15.50036863 +1 59.09489877 +1 0.1264 H( 2350 ILE 156) 18.05742493 +1 -16.57096989 +1 58.51411374 +1 0.1375 H( 2351 ILE 156) 16.94305248 +1 -13.09852690 +1 60.80676050 +1 0.1617 H( 2352 ILE 156) 18.63744704 +1 -13.59863712 +1 60.90933346 +1 0.1614 H( 2353 ILE 156) 17.98741306 +1 -12.93724514 +1 59.40323787 +1 0.1594 H( 2354 ILE 156) 17.27852978 +1 -14.80169965 +1 56.92156767 +1 0.1588 H( 2355 ILE 156) 18.56066740 +1 -13.73033574 +1 57.47418983 +1 0.1624 H( 2356 ILE 156) 18.98058648 +1 -15.24919627 +1 56.67587854 +1 0.1333 N( 2357 LYS*157) 15.25800000 +0 -15.23500000 +0 62.18800000 +0 -0.4221 C( 2358 LYS*157) 14.57500000 +0 -14.59800000 +0 63.33700200 +0 -0.0339 C( 2359 LYS*157) 14.95500000 +0 -15.28600000 +0 64.61399800 +0 0.5627 O( 2360 LYS*157) 15.25500000 +0 -14.66600000 +0 65.62500000 +0 -0.6516 C( 2361 LYS 157) 13.07400000 +0 -14.57200000 +0 63.14600000 +0 -0.2956 C( 2362 LYS 157) 12.52800000 +0 -13.56100000 +0 62.19900100 +0 -0.2602 C( 2363 LYS 157) 11.16100000 +0 -13.03300000 +0 62.64400100 +0 -0.3241 C( 2364 LYS 157) 11.17500000 +0 -11.52100000 +0 62.78799800 +0 -0.1363 N( 2365 LYS 157) 10.61900000 +0 -10.83900000 +0 61.59100000 +0 -0.5185 H( 2366 LYS*157) 14.63182005 +1 -15.57782290 +1 61.42280829 +1 0.3386 H( 2367 LYS*157) 14.96725487 +1 -13.52858230 +1 63.41767416 +1 0.1778 H( 2368 LYS 157) 12.70791784 +1 -15.59234230 +1 62.86466486 +1 0.1661 H( 2369 LYS 157) 12.60809684 +1 -14.42214812 +1 64.15686275 +1 0.1696 H( 2370 LYS 157) 13.22666128 +1 -12.70587249 +1 62.05503097 +1 0.1588 H( 2371 LYS 157) 12.43908492 +1 -13.99951514 +1 61.17902198 +1 0.1335 H( 2372 LYS 157) 10.37480374 +1 -13.36543496 +1 61.93722091 +1 0.1399 H( 2373 LYS 157) 10.84922022 +1 -13.50026760 +1 63.60085491 +1 0.1396 H( 2374 LYS 157) 10.49667826 +1 -11.23668764 +1 63.63597196 +1 0.1331 H( 2375 LYS 157) 12.13269168 +1 -11.09489066 +1 63.08855207 +1 0.1676 H( 2376 LYS 157) 11.34593978 +1 -10.71181554 +1 60.89315912 +1 0.2120 H( 2377 LYS 157) 9.88100629 +1 -11.38736191 +1 61.17014397 +1 0.1984 N( 2378 SER*158) 14.91800000 +0 -16.62200000 +0 64.65200000 +0 -0.4154 C( 2379 SER*158) 15.28600000 +0 -17.37400100 +0 65.80799900 +0 -0.1474 C( 2380 SER*158) 16.72100100 +0 -17.14600000 +0 66.23200200 +0 0.5709 O( 2381 SER*158) 17.03900000 +0 -17.05699900 +0 67.40899700 +0 -0.6452 C( 2382 SER 158) 15.08800000 +0 -18.88200000 +0 65.58999600 +0 -0.0035 O( 2383 SER 158) 15.30400000 +0 -19.57500100 +0 66.80799900 +0 -0.5519 H( 2384 SER*158) 14.66695553 +1 -17.17971265 +1 63.80258971 +1 0.3255 H( 2385 SER*158) 14.63266475 +1 -17.06401186 +1 66.69494315 +1 0.2168 H( 2386 SER 158) 14.02877267 +1 -19.11774207 +1 65.34272752 +1 0.1687 H( 2387 SER 158) 15.74433615 +1 -19.28655137 +1 64.78957812 +1 0.1436 H( 2388 SER 158) 16.25456455 +1 -19.54453086 +1 67.10046357 +1 0.3364 N( 2389 TRP*159) 17.63200000 +0 -17.22200000 +0 65.24800100 +0 -0.4567 C( 2390 TRP*159) 19.06900000 +0 -17.08200100 +0 65.57000000 +0 -0.0146 C( 2391 TRP*159) 19.41000000 +0 -15.69900000 +0 66.06199600 +0 0.5498 O( 2392 TRP*159) 20.21600000 +0 -15.56700000 +0 67.01599900 +0 -0.6657 C( 2393 TRP 159) 19.84800000 +0 -17.37299900 +0 64.29299900 +0 -0.2833 C( 2394 TRP 159) 21.32399900 +0 -17.60800000 +0 64.43499800 +0 -0.0909 C( 2395 TRP 159) 21.93700000 +0 -18.57399900 +0 65.16899900 +0 -0.1115 C( 2396 TRP 159) 22.35100000 +0 -16.87200000 +0 63.78599900 +0 -0.0755 N( 2397 TRP 159) 23.31100100 +0 -18.46600000 +0 65.02899900 +0 -0.2211 C( 2398 TRP 159) 23.58700000 +0 -17.44599900 +0 64.16799900 +0 0.0393 C( 2399 TRP 159) 22.37599900 +0 -15.77900000 +0 62.90499900 +0 -0.1104 C( 2400 TRP 159) 24.82399900 +0 -16.99300000 +0 63.69800200 +0 -0.2127 C( 2401 TRP 159) 23.59900100 +0 -15.34400000 +0 62.45700100 +0 -0.2360 C( 2402 TRP 159) 24.81300000 +0 -15.94700000 +0 62.85500000 +0 -0.1123 H( 2403 TRP*159) 17.37816702 +1 -17.27784456 +1 64.24057602 +1 0.3307 H( 2404 TRP*159) 19.34340165 +1 -17.81653711 +1 66.38742243 +1 0.1919 H( 2405 TRP 159) 19.41308425 +1 -18.28297578 +1 63.80089677 +1 0.1747 H( 2406 TRP 159) 19.67912246 +1 -16.55640150 +1 63.55309250 +1 0.1593 H( 2407 TRP 159) 21.49484059 +1 -19.32212039 +1 65.81769524 +1 0.1815 H( 2408 TRP 159) 23.99525312 +1 -19.10076232 +1 65.46319983 +1 0.3123 H( 2409 TRP 159) 21.45055707 +1 -15.29306963 +1 62.60412005 +1 0.1489 H( 2410 TRP 159) 25.74657144 +1 -17.49843791 +1 64.00533661 +1 0.1776 H( 2411 TRP 159) 23.64872283 +1 -14.48701932 +1 61.78337304 +1 0.1478 H( 2412 TRP 159) 25.74531015 +1 -15.53241129 +1 62.46207986 +1 0.1401 N( 2413 VAL*160) 18.81800100 +0 -14.66200000 +0 65.50499700 +0 -0.4324 C( 2414 VAL*160) 19.04700100 +0 -13.29600000 +0 65.97100100 +0 -0.1081 C( 2415 VAL*160) 18.63100100 +0 -13.13600000 +0 67.41200300 +0 0.5854 O( 2416 VAL*160) 19.34900100 +0 -12.46300000 +0 68.16500100 +0 -0.6376 C( 2417 VAL 160) 18.40900000 +0 -12.27900000 +0 65.07099900 +0 0.0077 C( 2418 VAL 160) 18.29800000 +0 -10.89300000 +0 65.68699600 +0 -0.5358 C( 2419 VAL 160) 19.08499900 +0 -12.24300000 +0 63.70900000 +0 -0.4986 H( 2420 VAL*160) 18.17038456 +1 -14.75809714 +1 64.68934265 +1 0.3355 H( 2421 VAL*160) 20.18059696 +1 -13.11477827 +1 65.97810859 +1 0.2058 H( 2422 VAL 160) 17.33915056 +1 -12.61736796 +1 64.88711604 +1 0.1283 H( 2423 VAL 160) 19.28321666 +1 -10.46811946 +1 65.93348939 +1 0.1787 H( 2424 VAL 160) 17.81776770 +1 -10.18244823 +1 64.99440993 +1 0.1779 H( 2425 VAL 160) 17.70504493 +1 -10.87591235 +1 66.61063038 +1 0.1697 H( 2426 VAL 160) 20.16019359 +1 -12.03569476 +1 63.78985593 +1 0.1574 H( 2427 VAL 160) 18.95895157 +1 -13.19238037 +1 63.16955592 +1 0.1589 H( 2428 VAL 160) 18.66547873 +1 -11.44848720 +1 63.07560899 +1 0.1694 N( 2429 ALA*161) 17.48800100 +0 -13.70400000 +0 67.79299900 +0 -0.4640 C( 2430 ALA*161) 17.03599900 +0 -13.64200000 +0 69.18800400 +0 0.0058 C( 2431 ALA*161) 18.05200000 +0 -14.24200000 +0 70.13700100 +0 0.5554 O( 2432 ALA*161) 18.33499900 +0 -13.69700000 +0 71.23200200 +0 -0.6730 C( 2433 ALA 161) 15.67100000 +0 -14.23900000 +0 69.33200100 +0 -0.5180 H( 2434 ALA*161) 16.88799408 +1 -14.24782803 +1 67.14369126 +1 0.3205 H( 2435 ALA*161) 16.98125464 +1 -12.53447089 +1 69.47630622 +1 0.1874 H( 2436 ALA 161) 15.63456291 +1 -15.31256220 +1 69.07881235 +1 0.1815 H( 2437 ALA 161) 15.28722221 +1 -14.14871510 +1 70.36111831 +1 0.1887 H( 2438 ALA 161) 14.92752126 +1 -13.74781731 +1 68.68200923 +1 0.1829 N( 2439 GLN*162) 18.64800100 +0 -15.36600000 +0 69.79200000 +0 -0.3997 C( 2440 GLN*162) 19.68100000 +0 -16.02100000 +0 70.55699900 +0 -0.0415 C( 2441 GLN*162) 20.94599900 +0 -15.16600000 +0 70.62200200 +0 0.5445 O( 2442 GLN*162) 21.52199900 +0 -14.98300000 +0 71.68800400 +0 -0.6751 C( 2443 GLN 162) 19.94700100 +0 -17.37500000 +0 69.89600400 +0 -0.2883 C( 2444 GLN 162) 21.11599900 +0 -18.14500000 +0 70.38099700 +0 -0.4175 C( 2445 GLN 162) 21.39200000 +0 -19.38200000 +0 69.51100200 +0 0.6134 O( 2446 GLN 162) 20.61200000 +0 -19.71900000 +0 68.62400100 +0 -0.6549 N( 2447 GLN 162) 22.51700000 +0 -19.99200100 +0 69.80100300 +0 -0.5439 H( 2448 GLN*162) 18.41409891 +1 -15.82828602 +1 68.88332831 +1 0.3109 H( 2449 GLN*162) 19.33801034 +1 -16.16877611 +1 71.63157198 +1 0.2047 H( 2450 GLN 162) 19.01961947 +1 -17.99789726 +1 69.99440671 +1 0.1747 H( 2451 GLN 162) 20.05894276 +1 -17.21631249 +1 68.78416950 +1 0.1829 H( 2452 GLN 162) 22.03291649 +1 -17.50050780 +1 70.41337134 +1 0.2023 H( 2453 GLN 162) 20.96327156 +1 -18.46405149 +1 71.43963680 +1 0.1890 H( 2454 GLN 162) 22.84150162 +1 -20.81638514 +1 69.26418585 +1 0.3097 H( 2455 GLN 162) 23.20098527 +1 -19.61795295 +1 70.45519530 +1 0.2870 N( 2456 LEU*163) 21.36000100 +0 -14.56200000 +0 69.53900100 +0 -0.3980 C( 2457 LEU*163) 22.50099900 +0 -13.68100000 +0 69.44400000 +0 -0.0720 C( 2458 LEU*163) 22.39399900 +0 -12.43300000 +0 70.27400200 +0 0.5655 O( 2459 LEU*163) 23.34900100 +0 -11.96700000 +0 70.87400100 +0 -0.6195 C( 2460 LEU 163) 22.87000100 +0 -13.30300000 +0 68.02300300 +0 -0.3421 C( 2461 LEU 163) 23.41300000 +0 -14.43500000 +0 67.15000200 +0 0.0505 C( 2462 LEU 163) 23.82099900 +0 -13.81800000 +0 65.80100300 +0 -0.5199 C( 2463 LEU 163) 24.55900000 +0 -15.16900000 +0 67.80699900 +0 -0.5169 H( 2464 LEU*163) 20.85106899 +1 -14.68126480 +1 68.62625172 +1 0.3226 H( 2465 LEU*163) 23.39848998 +1 -14.24787756 +1 69.89160655 +1 0.2018 H( 2466 LEU 163) 21.98863832 +1 -12.84262728 +1 67.51727610 +1 0.1653 H( 2467 LEU 163) 23.63882107 +1 -12.49181662 +1 68.07320650 +1 0.1784 H( 2468 LEU 163) 22.58002027 +1 -15.16786271 +1 66.95781920 +1 0.1280 H( 2469 LEU 163) 24.66879477 +1 -13.13239043 +1 65.90222492 +1 0.1611 H( 2470 LEU 163) 24.11677306 +1 -14.60384752 +1 65.09368563 +1 0.1586 H( 2471 LEU 163) 22.99015424 +1 -13.27964564 +1 65.33541970 +1 0.1504 H( 2472 LEU 163) 25.37684556 +1 -14.49020548 +1 68.08892289 +1 0.1681 H( 2473 LEU 163) 24.24165410 +1 -15.68574857 +1 68.72371757 +1 0.1504 H( 2474 LEU 163) 24.97701604 +1 -15.93241714 +1 67.14089961 +1 0.1480 N( 2475 LYS*164) 21.16099900 +0 -11.85800000 +0 70.34200300 +0 -0.4794 C( 2476 LYS*164) 21.07900000 +0 -10.65500000 +0 71.16200300 +0 -0.0528 C( 2477 LYS*164) 21.39500000 +0 -10.99200000 +0 72.59200300 +0 0.5663 O( 2478 LYS*164) 22.03700100 +0 -10.18400000 +0 73.32299800 +0 -0.6476 C( 2479 LYS 164) 19.65900000 +0 -10.03800000 +0 71.02200300 +0 -0.2723 C( 2480 LYS 164) 19.40500100 +0 -9.42200000 +0 69.64099900 +0 -0.2733 C( 2481 LYS 164) 18.12100000 +0 -8.56600000 +0 69.63999900 +0 -0.2799 C( 2482 LYS 164) 17.98900000 +0 -7.85400000 +0 68.28500400 +0 -0.1279 N( 2483 LYS 164) 17.21900000 +0 -6.58400000 +0 68.44400000 +0 -0.5781 H( 2484 LYS*164) 20.35329612 +1 -12.12529069 +1 69.75530252 +1 0.3351 H( 2485 LYS*164) 21.85179022 +1 -9.89210112 +1 70.82719536 +1 0.1958 H( 2486 LYS 164) 18.88569059 +1 -10.80161273 +1 71.24598894 +1 0.1561 H( 2487 LYS 164) 19.54122455 +1 -9.25864765 +1 71.80520679 +1 0.1515 H( 2488 LYS 164) 20.26671844 +1 -8.79379226 +1 69.34003457 +1 0.1369 H( 2489 LYS 164) 19.32558866 +1 -10.22045968 +1 68.87219017 +1 0.1595 H( 2490 LYS 164) 17.22936133 +1 -9.19002312 +1 69.84108943 +1 0.1463 H( 2491 LYS 164) 18.15901607 +1 -7.82868542 +1 70.46615654 +1 0.1444 H( 2492 LYS 164) 18.98633917 +1 -7.65298962 +1 67.83466741 +1 0.1306 H( 2493 LYS 164) 17.45134808 +1 -8.50321654 +1 67.55902054 +1 0.1201 H( 2494 LYS 164) 16.94951886 +1 -6.39913847 +1 69.41039060 +1 0.2543 H( 2495 LYS 164) 17.74373236 +1 -5.76831200 +1 68.10489617 +1 0.2666 N( 2496 SER*165) 21.03800000 +0 -12.18100000 +0 73.08400000 +0 -0.4281 C( 2497 SER*165) 21.37599900 +0 -12.56900000 +0 74.44799800 +0 -0.1462 C( 2498 SER*165) 22.83499900 +0 -12.85700000 +0 74.61900300 +0 0.5440 O( 2499 SER*165) 23.47100100 +0 -12.46900000 +0 75.62200200 +0 -0.5926 C( 2500 SER 165) 20.47699900 +0 -13.61800000 +0 75.02500200 +0 -0.0061 O( 2501 SER 165) 19.12599900 +0 -13.32400000 +0 74.92600300 +0 -0.5322 H( 2502 SER*165) 20.61133014 +1 -12.91987368 +1 72.49571476 +1 0.3071 H( 2503 SER*165) 21.21184045 +1 -11.61679489 +1 75.09074913 +1 0.2254 H( 2504 SER 165) 20.67644073 +1 -14.61929909 +1 74.57386655 +1 0.1276 H( 2505 SER 165) 20.64526763 +1 -13.70609559 +1 76.12896819 +1 0.1773 H( 2506 SER 165) 18.80506913 +1 -13.36418062 +1 73.99456914 +1 0.3223 N( 2507 GLU*166) 23.44599900 +0 -13.58200000 +0 73.66500100 +0 -0.4469 C( 2508 GLU*166) 24.83700000 +0 -13.96400000 +0 73.73700000 +0 -0.0527 C( 2509 GLU*166) 25.80800100 +0 -12.83400000 +0 73.54100000 +0 0.5292 O( 2510 GLU*166) 26.96500000 +0 -12.91500000 +0 73.97200000 +0 -0.5846 C( 2511 GLU 166) 25.12999900 +0 -15.13400000 +0 72.78199800 +0 -0.2498 C( 2512 GLU 166) 24.23900000 +0 -16.34600100 +0 72.97000100 +0 -0.3646 C( 2513 GLU 166) 24.70000100 +0 -17.55100100 +0 72.14800300 +0 0.6493 O( 2514 GLU 166) 24.54999900 +0 -17.48200000 +0 70.93900300 +0 -0.6626 O( 2515 GLU 166) 25.19599900 +0 -18.52100000 +0 72.76999700 +0 -0.5126 H( 2516 GLU*166) 22.93617100 +1 -13.87865157 +1 72.80876488 +1 0.3098 H( 2517 GLU*166) 25.04472509 +1 -14.32203699 +1 74.80734714 +1 0.1962 H( 2518 GLU 166) 25.05844943 +1 -14.78155336 +1 71.72652212 +1 0.1633 H( 2519 GLU 166) 26.20211699 +1 -15.41440934 +1 72.92785867 +1 0.1745 H( 2520 GLU 166) 24.15641204 +1 -16.61806087 +1 74.04559594 +1 0.1864 H( 2521 GLU 166) 23.18871826 +1 -16.11386811 +1 72.64546040 +1 0.2088 N( 2522 PHE*167) 25.41799900 +0 -11.76000000 +0 72.88099700 +0 -0.4350 C( 2523 PHE*167) 26.21100000 +0 -10.56100000 +0 72.76300000 +0 -0.0225 C( 2524 PHE*167) 25.88999900 +0 -9.54200000 +0 73.86399800 +0 0.5472 O( 2525 PHE*167) 26.52000000 +0 -8.50600000 +0 73.94100200 +0 -0.6172 C( 2526 PHE 167) 26.02700000 +0 -9.88900000 +0 71.40300000 +0 -0.3458 C( 2527 PHE 167) 26.55699900 +0 -10.56700000 +0 70.16899900 +0 0.0963 C( 2528 PHE 167) 27.74000000 +0 -11.26200000 +0 70.17400400 +0 -0.2047 C( 2529 PHE 167) 25.85000000 +0 -10.51000000 +0 68.99099700 +0 -0.2161 C( 2530 PHE 167) 28.28300100 +0 -11.83600000 +0 69.01200100 +0 -0.1042 C( 2531 PHE 167) 26.42400000 +0 -10.97400000 +0 67.80699900 +0 -0.1301 C( 2532 PHE 167) 27.59400000 +0 -11.65000000 +0 67.81600200 +0 -0.2028 H( 2533 PHE*167) 24.51063196 +1 -11.72696139 +1 72.36711338 +1 0.3179 H( 2534 PHE*167) 27.31436349 +1 -10.82086801 +1 72.90842684 +1 0.2003 H( 2535 PHE 167) 24.94309922 +1 -9.66032218 +1 71.25725894 +1 0.1689 H( 2536 PHE 167) 26.52754754 +1 -8.88047310 +1 71.45599488 +1 0.2079 H( 2537 PHE 167) 28.30332090 +1 -11.36931704 +1 71.10955816 +1 0.1635 H( 2538 PHE 167) 24.87006493 +1 -10.03170890 +1 68.95360386 +1 0.1456 H( 2539 PHE 167) 29.22910193 +1 -12.37096685 +1 69.04648395 +1 0.1523 H( 2540 PHE 167) 25.88543127 +1 -10.80737794 +1 66.86917291 +1 0.1368 H( 2541 PHE 167) 28.02508187 +1 -12.04675271 +1 66.89047298 +1 0.1572 N( 2542 GLY*168) 24.93899900 +0 -9.84600000 +0 74.74299600 +0 -0.4042 C( 2543 GLY*168) 24.62999900 +0 -8.95400000 +0 75.83499900 +0 -0.2472 C( 2544 GLY*168) 24.03100000 +0 -7.64900000 +0 75.44500000 +0 0.5716 O( 2545 GLY*168) 24.31200000 +0 -6.59500000 +0 76.07399700 +0 -0.6796 H( 2546 GLY*168) 24.37270883 +1 -10.71057124 +1 74.72227895 +1 0.3115 H( 2547 GLY*168) 23.94968530 +1 -9.47304829 +1 76.56758529 +1 0.1975 H( 2548 GLY*168) 25.56229130 +1 -8.73975577 +1 76.43881544 +1 0.2001 N( 2549 LEU*169) 23.27100000 +0 -7.61100000 +0 74.36100000 +0 -0.3682 C( 2550 LEU*169) 22.71800000 +0 -6.35600000 +0 73.86699700 +0 -0.1274 C( 2551 LEU*169) 21.55999900 +0 -5.83300000 +0 74.66000400 +0 0.6285 O( 2552 LEU*169) 20.86200000 +0 -6.63200000 +0 75.34400200 +0 -0.5469 C( 2553 LEU 169) 22.33000000 +0 -6.54900000 +0 72.40200000 +0 -0.3421 C( 2554 LEU 169) 23.51700000 +0 -6.89500000 +0 71.47300000 +0 0.0599 C( 2555 LEU 169) 23.02300100 +0 -7.00200000 +0 70.03199800 +0 -0.5158 C( 2556 LEU 169) 24.60199900 +0 -5.86400000 +0 71.59200300 +0 -0.5231 O( 2557 LEU 169) 21.20900000 +0 -4.62500000 +0 74.50800300 +0 -0.4443 H( 2558 LEU*169) 22.86885758 +1 -8.47361920 +1 73.93409461 +1 0.3270 H( 2559 LEU*169) 23.55857461 +1 -5.57931360 +1 73.92601162 +1 0.2000 H( 2560 LEU 169) 21.55811762 +1 -7.34386975 +1 72.31786082 +1 0.1520 H( 2561 LEU 169) 21.83288822 +1 -5.62785787 +1 72.02449674 +1 0.1656 H( 2562 LEU 169) 23.92356499 +1 -7.89478075 +1 71.78109188 +1 0.1081 H( 2563 LEU 169) 22.18275455 +1 -7.69412274 +1 69.93236959 +1 0.1351 H( 2564 LEU 169) 22.69459691 +1 -6.02578372 +1 69.64547960 +1 0.1743 H( 2565 LEU 169) 23.82361112 +1 -7.34288028 +1 69.35809888 +1 0.1589 H( 2566 LEU 169) 24.24631544 +1 -4.84844294 +1 71.36637766 +1 0.1678 H( 2567 LEU 169) 25.05869033 +1 -5.84747847 +1 72.59117963 +1 0.1616 H( 2568 LEU 169) 25.42513887 +1 -6.05082430 +1 70.88477184 +1 0.1695 S( 2569 SO4 170) 14.56600000 +0 -3.55700000 +0 68.72499800 +0 0.0000 O( 2570 SO4 170) 16.11800000 +0 -3.57400000 +0 68.77200300 +0 -0.9502 O( 2571 SO4 170) 13.97700000 +0 -4.68200000 +0 69.63300300 +0 0.0000 O( 2572 SO4 170) 14.01300000 +0 -2.16300000 +0 69.19400000 +0 -0.7477 O( 2573 SO4 170) 14.10100000 +0 -3.79600000 +0 67.23799900 +0 0.0000 N( 2574 UNK 170) 27.36599900 +0 -25.88100100 +0 49.00000000 +0 -0.6502 C( 2575 UNK 170) 27.87200000 +0 -26.57900000 +0 50.04700100 +0 0.7298 O( 2576 UNK 170) 27.37100000 +0 -26.59400000 +0 51.13900000 +0 -0.5313 N( 2577 UNK*171) 29.12299900 +0 -27.23800100 +0 49.90200000 +0 -0.5790 C( 2578 UNK*170) 29.83499900 +0 -27.29100000 +0 48.77100000 +0 0.6508 O( 2579 UNK*170) 30.92100000 +0 -27.89100100 +0 48.72900000 +0 -0.5594 C( 2580+UNK*170) 29.29900000 +0 -26.52300100 +0 47.66099900 +0 -0.2017 N( 2581 UNK*170) 29.91400000 +0 -26.52000000 +0 46.50700000 +0 -0.0852 C( 2582 UNK 170) 29.28800000 +0 -25.93400000 +0 45.46200200 +0 -0.0486 C( 2583 UNK 170) 29.86400000 +0 -26.01199900 +0 44.14699900 +0 -0.0840 C( 2584 UNK 170) 29.36899900 +0 -25.36400000 +0 43.08499900 +0 -0.0393 C( 2585 UNK 170) 29.92799900 +0 -25.51600100 +0 41.66899900 +0 -0.4456 C( 2586 UNK 170) 28.08600000 +0 -24.73700000 +0 43.19599900 +0 0.2670 C( 2587 UNK 170) 27.43899900 +0 -24.13400100 +0 41.98300200 +0 -0.5247 C( 2588 UNK 170) 27.54100000 +0 -24.60700000 +0 44.44699900 +0 -0.3965 C( 2589 UNK 170) 28.09000000 +0 -25.18700000 +0 45.57300200 +0 0.1988 N( 2590 UNK 170) 27.54600000 +0 -25.10199900 +0 46.84400200 +0 -0.1012 C( 2591 UNK 170) 28.01199900 +0 -25.85700000 +0 47.86200000 +0 0.3765 C( 2592 UNK 170) 26.30200000 +0 -24.35800000 +0 47.05600000 +0 -0.2735 C( 2593 UNK 170) 26.61300100 +0 -22.89399900 +0 47.30400100 +0 0.1648 O( 2594 UNK 170) 27.32799900 +0 -22.68300100 +0 48.52100000 +0 -0.6252 C( 2595 UNK 170) 25.30299900 +0 -22.10100000 +0 47.42400000 +0 0.0584 O( 2596 UNK 170) 24.65900000 +0 -22.02300100 +0 46.11299900 +0 -0.6168 C( 2597 UNK 170) 25.45700100 +0 -20.73500100 +0 48.01300000 +0 0.0695 O( 2598 UNK 170) 24.15000000 +0 -20.16900100 +0 48.28500000 +0 -0.5985 C( 2599 UNK 170) 26.23200000 +0 -19.77000000 +0 47.15800100 +0 -0.0062 O( 2600 UNK 170) 26.42100000 +0 -18.54200000 +0 47.88000100 +0 -0.6794 P( 2601 UNK 170) 26.83099900 +0 -17.20200000 +0 47.15399900 +0 0.0000 O( 2602 UNK 170) 25.73500100 +0 -16.86500000 +0 46.17100100 +0 -0.9149 O( 2603 UNK 170) 28.18600100 +0 -17.38600000 +0 46.53400000 +0 -0.7285 O( 2604+UNK 170) 26.83000000 +0 -16.14600000 +0 48.32099900 +0 -0.8434 H( 2605 UNK*171) 29.47878733 +1 -27.77099858 +1 50.76355439 +1 0.3719 H( 2606 UNK 170) 30.76224764 +1 -26.64351559 +1 44.05192667 +1 0.1794 H( 2607 UNK 170) 30.05818930 +1 -24.55256722 +1 41.16978855 +1 0.1573 H( 2608 UNK 170) 29.25332029 +1 -26.14652148 +1 41.06646150 +1 0.1900 H( 2609 UNK 170) 30.89521246 +1 -26.03832553 +1 41.66340246 +1 0.1740 H( 2610 UNK 170) 27.24730706 +1 -24.90463657 +1 41.21641620 +1 0.1886 H( 2611 UNK 170) 28.09148496 +1 -23.38074468 +1 41.51176655 +1 0.1921 H( 2612 UNK 170) 26.47415753 +1 -23.65691388 +1 42.19850507 +1 0.1771 H( 2613 UNK 170) 26.58406409 +1 -24.06466644 +1 44.53898325 +1 0.2008 H( 2614 UNK 170) 25.71888881 +1 -24.77916365 +1 47.91787863 +1 0.2053 H( 2615 UNK 170) 25.61723686 +1 -24.46194784 +1 46.16533619 +1 0.2010 H( 2616 UNK 170) 27.24237861 +1 -22.48037988 +1 46.47047095 +1 0.1409 H( 2617 UNK 170) 28.18040112 +1 -23.23795508 +1 48.56958874 +1 0.3906 H( 2618 UNK 170) 24.53667068 +1 -22.68325676 +1 48.00508716 +1 0.1647 H( 2619 UNK 170) 24.81821561 +1 -21.21748213 +1 45.54841939 +1 0.3839 H( 2620 UNK 170) 25.91036285 +1 -20.80442515 +1 49.05295008 +1 0.1869 H( 2621 UNK 170) 23.61918451 +1 -20.06452245 +1 47.41047278 +1 0.3606 H( 2622 UNK 170) 27.24338558 +1 -20.17918142 +1 46.92533093 +1 0.1419 H( 2623 UNK 170) 25.69103341 +1 -19.55395792 +1 46.20015329 +1 0.1669 O( 2624 HOH 171) 27.75000000 +0 -19.01300000 +0 65.25800300 +0 -0.7345 O( 2625 HOH 172) 35.26499900 +0 -18.27899900 +0 67.00599700 +0 -0.6825 O( 2626 HOH 173) 29.37100000 +0 -22.37900000 +0 54.49900100 +0 -0.7100 O( 2627 HOH 174) 32.61299900 +0 -11.21600000 +0 48.40200000 +0 -0.7255 O( 2628 HOH 175) 28.58700000 +0 0.94600000 +0 70.11299900 +0 -0.6836 O( 2629 HOH 176) 22.17400000 +0 -21.75900100 +0 49.50299800 +0 -0.7026 O( 2630 HOH 177) 34.28599900 +0 -4.26000000 +0 53.40399900 +0 -0.6924 O( 2631 HOH 178) 32.73899800 +0 -32.34199900 +0 55.22600200 +0 -0.6762 O( 2632 HOH 179) 10.79900000 +0 -18.51700000 +0 56.88100100 +0 -0.6946 O( 2633 HOH 180) 31.69199900 +0 -4.53200000 +0 68.52800000 +0 -0.7069 O( 2634 HOH 181) 12.39200000 +0 -17.29200000 +0 54.05400100 +0 -0.6818 O( 2635 HOH 182) 17.77800000 +0 -26.56699900 +0 63.01699800 +0 -0.7044 O( 2636 HOH 183) 39.27299900 +0 -21.05699900 +0 47.86700100 +0 -0.7022 O( 2637 HOH 184) 20.76800000 +0 -3.66000000 +0 62.20299900 +0 -0.7256 O( 2638 HOH 185) 25.09300000 +0 4.28400000 +0 65.47300000 +0 -0.6558 O( 2639 HOH 186) 39.41199900 +0 -23.41200100 +0 50.79999900 +0 -0.6813 O( 2640 HOH 187) 24.12599900 +0 -25.41799900 +0 44.27700000 +0 -0.6417 O( 2641 HOH 188) 29.54600000 +0 -33.07000000 +0 48.96200200 +0 -0.7426 O( 2642 HOH 189) 11.88600000 +0 -23.65900000 +0 50.20399900 +0 -0.6951 O( 2643 HOH 190) 34.08300000 +0 -14.32800000 +0 44.00400200 +0 -0.6318 O( 2644 HOH 191) 32.45800000 +0 -21.12500000 +0 72.45800000 +0 -0.7544 O( 2645 HOH 192) 37.16500100 +0 -25.14100100 +0 66.43100000 +0 -0.6583 O( 2646 HOH 193) 25.83499900 +0 -1.61000000 +0 56.66500100 +0 -0.6763 O( 2647 HOH 194) 21.76899900 +0 -30.54600000 +0 66.69799800 +0 -0.6758 O( 2648 HOH 195) 40.38700100 +0 -23.40700000 +0 47.22800100 +0 -0.6901 O( 2649 HOH 196) 24.12800000 +0 -4.10900000 +0 76.76599900 +0 -0.6702 O( 2650 HOH 197) 24.77000000 +0 -20.48700000 +0 43.51800200 +0 -0.6592 O( 2651 HOH 198) 14.46800000 +0 -23.05800100 +0 47.93500100 +0 -0.6888 O( 2652 HOH 199) 39.75099900 +0 -19.56800100 +0 45.67200100 +0 -0.7013 O( 2653 O ) 15.30300000 +0 -7.79600000 +0 66.65200000 +0 -0.4955 O( 2654 O ) 4.90200000 +0 -12.39600000 +0 57.20999900 +0 -0.2893 O( 2655 HOH 200) 36.49000200 +0 -27.46999900 +0 61.00000000 +0 -0.6780 O( 2656 HOH 201) 36.91099900 +0 -13.55200000 +0 42.13700100 +0 -0.6576 O( 2657 HOH 202) 19.79000100 +0 -33.49000200 +0 60.95299900 +0 -0.6785 O( 2658 HOH 203) 23.96600000 +0 4.07400000 +0 63.04700100 +0 -0.7124 O( 2659 HOH 204) 29.40700000 +0 -33.95299900 +0 65.53800200 +0 -0.6583 O( 2660 HOH 205) 35.28799800 +0 -33.14899800 +0 54.94599900 +0 -0.7051 O( 2661 HOH 206) 32.60100200 +0 -0.18800000 +0 65.67600300 +0 -0.6653 O( 2662 HOH 207) 29.26100000 +0 -20.03900000 +0 73.51599900 +0 -0.6766 O( 2663 HOH 208) 40.09999800 +0 -8.43800000 +0 50.44599900 +0 -0.6915 O( 2664 HOH 209) 26.14399900 +0 0.72600000 +0 60.38299900 +0 -0.6346 O( 2665 HOH 210) 25.32600000 +0 -30.00200100 +0 41.96300100 +0 -0.6649 O( 2666 HOH 211) 41.41600000 +0 -17.75300000 +0 45.61600100 +0 -0.7057 O( 2667 HOH 212) 19.63299900 +0 1.09500000 +0 65.13999900 +0 -0.6724 O( 2668 HOH 213) 33.22100100 +0 -35.64899800 +0 53.53599900 +0 -0.6721 O( 2669 HOH 214) 27.61599900 +0 -2.39400000 +0 50.07799900 +0 -0.6699 O( 2670 HOH 215) 33.49499900 +0 -24.61700100 +0 68.20099600 +0 -0.6652 O( 2671 HOH 216) 35.80500000 +0 -30.37999900 +0 61.42100100 +0 -0.7136 O( 2672 HOH 217) 48.12099800 +0 -21.04200000 +0 59.12099800 +0 -0.6708 O( 2673 HOH 218) 15.24000000 +0 -10.13900000 +0 67.99099700 +0 -0.7109 O( 2674 O ) 34.23099900 +0 -17.09800000 +0 45.32600000 +0 -0.2859 O( 2675 HOH 219) 31.77000000 +0 -10.99300000 +0 45.00400200 +0 -0.6593 O( 2676 HOH 220) 17.32799900 +0 -21.91000000 +0 54.57600000 +0 -0.7082 O( 2677 HOH 221) 40.98199800 +0 -23.73100100 +0 59.66700000 +0 -0.6921 O( 2678 HOH 222) 28.42300000 +0 -4.46300000 +0 51.84999800 +0 -0.6517 O( 2679 HOH 223) 37.48600000 +0 -14.14300000 +0 72.95800000 +0 -0.7098 O( 2680 HOH 224) 25.57500100 +0 -20.74900100 +0 71.53399700 +0 -0.6089 O( 2681 HOH 225) 25.45100000 +0 -34.77999900 +0 47.60200100 +0 -0.6570 O( 2682 HOH 226) 39.62300100 +0 -28.22699900 +0 43.60699800 +0 -0.6555 O( 2683 HOH 227) 33.51200100 +0 -2.14800000 +0 75.36100000 +0 -0.6488 O( 2684 HOH 228) 31.63500000 +0 -1.56800000 +0 55.07600000 +0 -0.6630 O( 2685 HOH 229) 18.25900100 +0 -7.28000000 +0 73.57599600 +0 -0.6935 O( 2686 HOH 230) 33.42400000 +0 1.85200000 +0 70.95700100 +0 -0.6952 O( 2687 HOH 231) 45.45800000 +0 -18.91500100 +0 58.15000200 +0 -0.6924 O( 2688 HOH 232) 40.81499900 +0 -5.18300000 +0 49.84600100 +0 -0.6709 O( 2689 HOH 233) 35.67300000 +0 -3.37800000 +0 55.67400000 +0 -0.7019 O( 2690 HOH 234) 50.96600000 +0 -15.66000000 +0 64.47000100 +0 -0.6548 O( 2691 HOH 235) 41.47800100 +0 -1.32600000 +0 61.80799900 +0 -0.6878 O( 2692 HOH 236) 35.71200200 +0 -33.79200000 +0 58.49499900 +0 -0.7218 O( 2693 HOH 237) 46.09100000 +0 -6.28400000 +0 56.14899800 +0 -0.6821 O( 2694 HOH 238) 35.50500100 +0 -20.67499900 +0 70.55799900 +0 -0.6557 O( 2695 HOH 239) 33.47600200 +0 -33.18700000 +0 57.66400100 +0 -0.7090 O( 2696 HOH 240) 47.52800000 +0 -16.16300000 +0 58.43999900 +0 -0.7023 O( 2697 HOH 241) 41.57700000 +0 -6.44200000 +0 67.41600000 +0 -0.6862 O( 2698 HOH 242) 16.91400000 +0 -34.83900100 +0 63.46300100 +0 -0.6770 O( 2699 HOH 243) 28.55100100 +0 -3.72500000 +0 79.02400200 +0 -0.6344 O( 2700 HOH 244) 16.30400100 +0 -25.00300000 +0 61.35699800 +0 -0.7372 O( 2701 HOH 245) 34.79000100 +0 -2.77500000 +0 70.80899800 +0 -0.6651 O( 2702 HOH 246) 33.02500200 +0 3.26900000 +0 67.36399800 +0 -0.6467 O( 2703 HOH 247) 28.61200000 +0 -27.83099900 +0 70.55699900 +0 -0.6514 O( 2704 HOH 248) 36.29900000 +0 -29.18000000 +0 53.08700200 +0 -0.6605 O( 2705 HOH 249) 14.42100000 +0 -12.02800000 +0 66.21800200 +0 -0.7059 O( 2706 HOH 250) 29.51100000 +0 -34.01100200 +0 46.51100200 +0 -0.6428 O( 2707 HOH 251) 42.71200200 +0 -7.43300000 +0 51.67300000 +0 -0.6839 O( 2708 HOH 252) 24.35000000 +0 -3.88600000 +0 67.88900000 +0 -0.6835 O( 2709 HOH 253) 19.08200100 +0 -24.26700000 +0 67.47200000 +0 -0.6747 O( 2710 HOH 254) 30.39399900 +0 0.16600000 +0 62.31399900 +0 -0.6532 O( 2711 HOH 255) 40.52100000 +0 -11.17800000 +0 49.89199800 +0 -0.6919 O( 2712 HOH 256) 23.25200100 +0 -0.56800000 +0 57.06100100 +0 -0.7039 O( 2713 HOH 257) 37.41199900 +0 -15.87600000 +0 75.58599900 +0 -0.6536 O( 2714 HOH 258) 18.58900100 +0 -5.07100000 +0 72.10700200 +0 -0.5876 O( 2715 HOH 259) 27.32500100 +0 -6.21600000 +0 75.61799600 +0 -0.6571 O( 2716 HOH 260) 22.88500000 +0 -10.11700000 +0 46.34500100 +0 -0.6565 O( 2717 HOH 261) 16.82300000 +0 -11.96600000 +0 72.63200400 +0 -0.6806 O( 2718 HOH 262) 21.18300100 +0 -34.63600200 +0 51.22499800 +0 -0.7023 O( 2719 HOH 263) 41.77299900 +0 -1.84400000 +0 58.87500000 +0 -0.6896 O( 2720 HOH 264) 37.18600100 +0 -31.98800100 +0 59.98899800 +0 -0.6574 O( 2721 HOH 265) 19.41000000 +0 -23.69500000 +0 43.17200100 +0 -0.7024 O( 2722 HOH 266) 30.26800000 +0 -29.24200100 +0 41.68500100 +0 -0.6678 O( 2723 HOH 267) 38.54100000 +0 -12.54500000 +0 76.36399800 +0 -0.6431 O( 2724 HOH 268) 21.70900000 +0 -29.20400000 +0 43.99499900 +0 -0.6774 O( 2725 HOH 269) 23.83200100 +0 -0.54500000 +0 59.76699800 +0 -0.6853 O( 2726 HOH 270) 36.20500200 +0 -1.98600000 +0 60.07000000 +0 -0.6776 O( 2727 HOH 271) 16.32000000 +0 -33.52800000 +0 60.79100000 +0 -0.6673 O( 2728 HOH 272) 30.33499900 +0 -11.79900000 +0 42.70500200 +0 -0.6794 O( 2729 HOH 273) 36.05500000 +0 -0.06900000 +0 48.93299900 +0 -0.6503 O( 2730 HOH 274) 13.34800000 +0 -28.87800000 +0 57.53900100 +0 -0.6704 O( 2731 HOH 275) 12.62900000 +0 -24.65700000 +0 47.43899900 +0 -0.6509 O( 2732 HOH 276) 27.21400100 +0 5.90600000 +0 63.88299900 +0 -0.6917 O( 2733 HOH 277) 15.82500000 +0 -18.09199900 +0 69.55500000 +0 -0.6783 O( 2734 HOH 278) 39.29800000 +0 -13.03100000 +0 45.46300100 +0 -0.6866 O( 2735 HOH 279) 30.32300000 +0 -5.09500000 +0 47.71500000 +0 -0.6878 O( 2736 HOH 280) 15.38300000 +0 -6.87100000 +0 70.38400300 +0 -0.6901 O( 2737 HOH 281) 11.07200000 +0 0.12000000 +0 66.37699900 +0 -0.6368 O( 2738 HOH 282) 31.20200000 +0 -8.80700000 +0 45.99000200 +0 -0.6108 O( 2739 HOH 283) 20.80400100 +0 -35.43600100 +0 57.85200100 +0 -0.6632 O( 2740 HOH 284) 33.20900000 +0 -31.22600000 +0 62.26200100 +0 -0.7017 O( 2741 HOH 285) 19.34800000 +0 -28.74900100 +0 44.57400100 +0 -0.6916 O( 2742 HOH 286) 22.09300000 +0 -36.91299800 +0 52.91999800 +0 -0.6984 O( 2743 HOH 287) 46.38600200 +0 -13.06100000 +0 50.35300100 +0 -0.6457 O( 2744 HOH 288) 35.23500100 +0 -5.30300000 +0 76.16400100 +0 -0.6682 O( 2745 HOH 289) 30.00499900 +0 2.43900000 +0 68.25700400 +0 -0.6522 O( 2746 HOH 290) 36.99900100 +0 -28.98000000 +0 43.58200100 +0 -0.6493 O( 2747 HOH 291) 34.55500000 +0 -11.13300000 +0 44.52899900 +0 -0.4949 O( 2748 HOH 292) 41.45299900 +0 -25.10899900 +0 49.34899900 +0 -0.6960 O( 2749 HOH 293) 20.24700000 +0 -13.01700000 +0 46.11299900 +0 -0.6729 O( 2750 HOH 294) 18.04200000 +0 -19.82700000 +0 41.43000000 +0 -0.6356 O( 2751 HOH 295) 37.19400000 +0 -9.78700000 +0 44.72700100 +0 -0.7121 O( 2752 HOH 296) 14.23400000 +0 -14.95600000 +0 52.93600100 +0 -0.7082 O( 2753 HOH 297) 25.28300100 +0 -20.19000100 +0 75.80000300 +0 -0.6315 O( 2754 HOH 298) 14.86700000 +0 -16.73300000 +0 51.25899900 +0 -0.6595 O( 2755 HOH 299) 50.47399900 +0 -20.21999900 +0 58.99700200 +0 -0.6818 O( 2756 HOH 300) 32.70200000 +0 -32.85900100 +0 66.83899700 +0 -0.6525 O( 2757 HOH 301) 13.77500000 +0 -8.40300000 +0 55.35100200 +0 -0.6415 O( 2758 HOH 302) 23.26600100 +0 -3.12200000 +0 49.41700000 +0 -0.6872 O( 2759 HOH 303) 44.22499800 +0 -7.72200000 +0 54.33000200 +0 -0.7208 O( 2760 HOH 304) 38.89500000 +0 -4.39900000 +0 46.72800100 +0 -0.6034 O( 2761 HOH 305) 24.02500000 +0 -37.54800000 +0 48.50299800 +0 -0.6786 O( 2762 HOH 306) 21.51400000 +0 -1.19000000 +0 61.27299900 +0 -0.7010 O( 2763 HOH 307) 34.74599800 +0 -20.77400000 +0 43.71600000 +0 -0.6674 O( 2764 HOH 308) 17.81399900 +0 -9.54100000 +0 51.08599900 +0 -0.6814 O( 2765 HOH 309) 36.21900200 +0 -21.19500000 +0 45.77800000 +0 -0.6735 O( 2766 HOH 310) 9.46200000 +0 -17.95299900 +0 50.63100100 +0 -0.6500 O( 2767 HOH 311) 19.94300100 +0 -0.36600000 +0 59.01699800 +0 -0.6754 O( 2768 HOH 312) 13.24300000 +0 -28.49099900 +0 50.46699900 +0 -0.6598 O( 2769 HOH 313) 43.22100100 +0 -10.85300000 +0 51.46300100 +0 -0.6845 O( 2770 HOH 314) 44.75199900 +0 -7.94400000 +0 66.14399700 +0 -0.6778 O( 2771 HOH 315) 17.53300100 +0 -3.04800000 +0 61.08200100 +0 -0.7023 O( 2772 HOH 316) 33.35400000 +0 -34.76900100 +0 48.76300000 +0 -0.6631 O( 2773 HOH 317) 12.24300000 +0 -7.20900000 +0 60.70500200 +0 -0.6489 O( 2774 HOH 318) 29.75099900 +0 -43.55799900 +0 49.23400100 +0 -0.6445 O( 2775 HOH 319) 11.51200000 +0 -18.28000100 +0 64.20200300 +0 -0.6638 O( 2776 HOH 320) 48.35500000 +0 -8.83100000 +0 56.68199900 +0 -0.6955 O( 2777 HOH 321) 39.63399900 +0 -7.88900000 +0 46.62799800 +0 -0.6863 O( 2778 HOH 322) 22.58000000 +0 -15.91100000 +0 42.06900000 +0 -0.6606 O( 2779 HOH 323) 13.71900000 +0 -12.88500000 +0 58.67100100 +0 -0.6671 O( 2780 HOH 324) 37.08800100 +0 -4.54700000 +0 69.68100000 +0 -0.6813 O( 2781 HOH 325) 25.53599900 +0 -13.97900000 +0 40.23099900 +0 -0.6421 O( 2782 HOH 326) 41.77000000 +0 -15.91700000 +0 47.02800000 +0 -0.6565 O( 2783 HOH 327) 13.36900000 +0 -6.36800000 +0 66.83699800 +0 -0.5634 O( 2784 HOH 328) 39.69200100 +0 -10.13600000 +0 43.29900000 +0 -0.6514 O( 2785 HOH 329) 35.99399900 +0 2.34800000 +0 64.28900100 +0 -0.6723 O( 2786 HOH 330) 14.98000000 +0 -26.94800000 +0 60.45800000 +0 -0.6586 O( 2787 HOH 331) 16.68199900 +0 -23.27400000 +0 43.85800200 +0 -0.6624 O( 2788 HOH 332) 13.61700000 +0 -21.08200100 +0 63.33000200 +0 -0.6843 O( 2789 HOH 333) 46.38200000 +0 -6.76000000 +0 63.58400000 +0 -0.6795 O( 2790 HOH 334) 14.02700000 +0 -32.28300100 +0 63.58300000 +0 -0.6851 O( 2791 HOH 335) 24.66900100 +0 -31.72699900 +0 71.19699900 +0 -0.6583 O( 2792 HOH 336) 36.65300000 +0 -7.01300000 +0 73.52400200 +0 -0.6648 O( 2793 HOH 337) 28.00099900 +0 -24.18000000 +0 52.50600100 +0 -0.6967 O( 2794 HOH 338) 17.87100000 +0 -9.80500000 +0 74.35600300 +0 -0.6708 O( 2795 HOH 339) 43.74000200 +0 -2.31400000 +0 63.35500000 +0 -0.6505 O( 2796 HOH 340) 22.05999900 +0 2.11900000 +0 61.96500000 +0 -0.6834 O( 2797 HOH 341) 11.84300000 +0 -26.61899900 +0 50.49499900 +0 -0.6894 O( 2798 HOH 342) 39.84800000 +0 -10.47100000 +0 47.31800100 +0 -0.7125 O( 2799 HOH 343) 11.45400000 +0 -18.80800100 +0 49.47399900 +0 -0.6831 O( 2800 HOH 344) 12.29900000 +0 -12.74800000 +0 67.68000000 +0 -0.6405 O( 2801 HOH 345) 40.12500000 +0 -1.69100000 +0 51.72700100 +0 -0.6575 O( 2802 HOH 346) 14.22900000 +0 -34.13999900 +0 62.04100000 +0 -0.6607 O( 2803 HOH 347) 32.86200000 +0 -33.12099800 +0 61.07899900 +0 -0.6760 O( 2804 HOH 348) 39.58800100 +0 -7.78400000 +0 70.85199700 +0 -0.6849 O( 2805 HOH 349) 14.28700000 +0 2.41300000 +0 62.91700000 +0 -0.6708 O( 2806 HOH 350) 22.02700000 +0 -35.64899800 +0 48.62300100 +0 -0.6851 O( 2807 HOH 351) 15.57800000 +0 0.15300000 +0 62.84700000 +0 -0.6534 O( 2808 HOH 352) 47.91600000 +0 -7.05800000 +0 58.34500100 +0 -0.6618 O( 2809 HOH 353) 15.05000000 +0 -10.40800000 +0 70.89399700 +0 -0.7106 O( 2810 HOH 354) 34.83499900 +0 0.44000000 +0 61.78200100 +0 -0.6649 O( 2811 HOH 355) 27.85600100 +0 -4.47400000 +0 48.86999900 +0 -0.7294 O( 2812 HOH 356) 21.18800000 +0 -17.83400000 +0 75.41600000 +0 -0.6329 O( 2813 HOH 357) 34.93299900 +0 -19.28100000 +0 45.52700000 +0 -0.7157 O( 2814 HOH 358) 48.22300000 +0 -10.70400000 +0 66.25399800 +0 -0.6747 O( 2815 HOH 359) 16.75000000 +0 -17.78300100 +0 72.10199700 +0 -0.6762 O( 2816 HOH 360) 43.14300200 +0 -23.33400000 +0 49.84299900 +0 -0.6324 O( 2817 HOH 361) 14.29100000 +0 -23.58300000 +0 62.92300000 +0 -0.6812 O( 2818 HOH 362) 37.52999900 +0 -1.05000000 +0 54.34899900 +0 -0.6466 O( 2819 HOH 363) 20.62900000 +0 -25.83300000 +0 42.83800100 +0 -0.6817 O( 2820 HOH 364) 25.60899900 +0 -5.49500000 +0 51.54299900 +0 -0.6580 O( 2821 HOH 365) 21.98300000 +0 -1.84400000 +0 51.43100000 +0 -0.6968 O( 2822 HOH 366) 26.26800000 +0 -33.22600200 +0 43.12699900 +0 -0.6744 O( 2823 HOH 367) 21.67700000 +0 -13.51800000 +0 44.09700000 +0 -0.6513 O( 2824 HOH 368) 9.61500000 +0 -21.52400000 +0 58.66199900 +0 -0.5633 O( 2825 HOH 369) 28.62000100 +0 -36.81900000 +0 61.48099900 +0 -0.6434 O( 2826 HOH 370) 25.32300000 +0 6.01600000 +0 61.81600200 +0 -0.6673 O( 2827 HOH 371) 43.14300200 +0 -10.03700000 +0 45.72200000 +0 -0.6410 O( 2828 HOH 372) 23.61500000 +0 -36.12099800 +0 59.04100000 +0 -0.6429 O( 2829 HOH 373) 33.39899800 +0 -38.02899900 +0 51.29299900 +0 -0.6502 O( 2830 HOH 374) 29.27800000 +0 -32.74700200 +0 43.06399900 +0 -0.6683 O( 2831 HOH 375) 36.56900000 +0 -3.35900000 +0 43.52000000 +0 -0.6452 O( 2832 HOH 376) 15.41800000 +0 -8.19200000 +0 72.67400400 +0 -0.6911 O( 2833 HOH 377) 16.55900000 +0 -7.14000000 +0 53.08100100 +0 -0.6513 O( 2834 HOH 378) 15.98700000 +0 -25.62900000 +0 65.15599800 +0 -0.6637 O( 2835 HOH 379) 19.76300000 +0 -33.50400200 +0 64.22300000 +0 -0.6726 O( 2836 HOH 380) 17.81100100 +0 -20.02800000 +0 68.59899900 +0 -0.6837 O( 2837 HOH 381) 37.17599900 +0 2.39300000 +0 61.56700100 +0 -0.6625 O( 2838 HOH 382) 30.72699900 +0 -37.70800000 +0 54.25999800 +0 -0.6622 O( 2839 HOH 383) 24.62599900 +0 -2.17400000 +0 78.12799800 +0 -0.6923 O( 2840 HOH 384) 35.97100100 +0 -23.13299900 +0 69.72000100 +0 -0.6977 O( 2841 HOH 385) 20.04600000 +0 -22.37200000 +0 68.58899700 +0 -0.6782 O( 2842 HOH 386) 23.55500000 +0 -33.96300100 +0 65.33000200 +0 -0.6911 O( 2843 HOH 387) 35.48899800 +0 -35.75899900 +0 56.99399900 +0 -0.6603 O( 2844 HOH 388) 26.35199900 +0 -5.87400000 +0 77.76999700 +0 -0.6841 O( 2845 HOH 389) 51.63700100 +0 -8.30400000 +0 58.56900000 +0 -0.6612 O( 2846 HOH 390) 20.10400000 +0 0.09500000 +0 63.00299800 +0 -0.7039 O( 2847 HOH 391) 33.04900000 +0 -6.63700000 +0 45.22800100 +0 -0.6729 O( 2848 HOH 392) 50.29999900 +0 -11.72100000 +0 64.68900300 +0 -0.6499 O( 2849 HOH 393) 42.10300100 +0 -8.56900000 +0 70.45200300 +0 -0.6763 O( 2850 HOH 394) 12.17400000 +0 -27.90399900 +0 54.02000000 +0 -0.6528 O( 2851 HOH 395) 36.80300100 +0 -0.79400000 +0 45.10200100 +0 -0.6549 O( 2852 HOH 396) 13.98700000 +0 -10.33700000 +0 51.89600000 +0 -0.6489 O( 2853 HOH 397) 17.68000000 +0 -14.39000000 +0 50.75500100 +0 -0.6721 O( 2854 HOH 398) 50.74499900 +0 -17.30600000 +0 58.45800000 +0 -0.6552 O( 2855 HOH 399) 14.98900000 +0 -3.25000000 +0 60.86200000 +0 -0.6748 O( 2856 HOH 400) 33.21699900 +0 -9.13800000 +0 72.93399800 +0 -0.6743 O( 2857 HOH 401) 20.04000100 +0 -9.60200000 +0 46.45800000 +0 -0.6647 O( 2858 HOH 402) 8.84100000 +0 -13.88000000 +0 55.89899800 +0 -0.6401 O( 2859 HOH 403) 8.80300000 +0 -17.10600100 +0 62.99599800 +0 -0.6597 O( 2860 HOH 404) 35.94500000 +0 -33.61999900 +0 51.29299900 +0 -0.6607 O( 2861 HOH 405) 37.37200200 +0 -31.14800100 +0 51.29299900 +0 -0.6670 O( 2862 HOH 406) 12.15700000 +0 -22.20900000 +0 59.47000100 +0 -0.6750 O( 2863 O ) 24.41500100 +0 -39.73099900 +0 49.77600100 +0 -0.2981 O( 2864 HOH 407) 6.21500000 +0 -10.81600000 +0 56.50099900 +0 -0.6394 O( 2865 HOH 408) 32.12300100 +0 -33.08800100 +0 40.41899900 +0 -0.6358 O( 2866 HOH 409) 15.84600000 +0 -10.14900000 +0 49.84000000 +0 -0.6797 O( 2867 HOH 410) 44.90200000 +0 -5.64100000 +0 45.50199900 +0 -0.6603 O( 2868 HOH 411) 43.49499900 +0 0.95500000 +0 58.15100100 +0 -0.6438 O( 2869 HOH 412) 27.99799900 +0 -36.60100200 +0 67.01499900 +0 -0.6471 O( 2870 HOH 413) 44.62799800 +0 -5.91300000 +0 50.35599900 +0 -0.7438 O( 2871 HOH 414) 16.77300100 +0 -31.63200000 +0 68.59600100 +0 -0.6015 O( 2872 HOH 415) 43.50999800 +0 -7.54000000 +0 42.31100100 +0 -0.6576 O( 2873 HOH 416) 14.04000000 +0 -22.90099900 +0 65.80600000 +0 -0.6559 O( 2874 HOH 417) 35.80300100 +0 0.63200000 +0 66.65399900 +0 -0.6876 O( 2875 HOH 418) 48.01900100 +0 -11.07900000 +0 52.64500000 +0 -0.6488 O( 2876 HOH 419) 29.50000000 +0 -8.24600000 +0 76.05100300 +0 -0.6548 O( 2877 HOH 420) 53.71799900 +0 -2.25200000 +0 65.38500200 +0 -0.6499 O( 2878 HOH 421) 46.33499900 +0 -3.43600000 +0 70.16600000 +0 -0.6581 O( 2879 HOH 422) 40.49800100 +0 -2.75800000 +0 41.90499900 +0 -0.6300 O( 2880 HOH 423) 55.52000000 +0 -2.44500000 +0 65.35800200 +0 -0.5963 O( 2881 HOH 424) 52.78300100 +0 0.34600000 +0 62.41199900 +0 -0.6316 O( 2882 HOH 425) 15.31400000 +0 -15.93900000 +0 44.02899900 +0 -0.6294 O( 2883 HOH 426) 25.50900100 +0 -41.59600100 +0 46.13000100 +0 -0.6469 O( 2884 O ) 34.09500100 +0 -16.12500000 +0 45.04100000 +0 -0.3048 O( 2885 HOH 427) 42.71600000 +0 -4.32300000 +0 67.38700100 +0 -0.6853 O( 2886 HOH 428) 38.17499900 +0 -5.58300000 +0 45.63100100 +0 -0.6116 O( 2887 HOH 429) 48.01300000 +0 0.75200000 +0 56.57799900 +0 -0.6290 O( 2888 O ) 25.24600000 +0 -40.89199800 +0 50.50700000 +0 -0.3430 O( 2889 HOH 430) 45.66000000 +0 -3.43700000 +0 72.23200200 +0 -0.6380 O( 2890 HOH 431) 14.25300000 +0 -8.70300000 +0 46.50999800 +0 -0.6301 O( 2891 HOH 432) 24.96100000 +0 -36.19100200 +0 66.11699700 +0 -0.6553 O( 2892 HOH 433) 34.99900100 +0 -20.26800000 +0 76.50199900 +0 -0.6445 O( 2893 HOH 434) 44.56499900 +0 -2.90300000 +0 43.63299900 +0 -0.6344 O( 2894 HOH 435) 45.69200100 +0 -3.60300000 +0 68.16700000 +0 -0.6613 O( 2895 HOH 436) 9.85400000 +0 -27.49300000 +0 58.88499800 +0 -0.6312 O( 2896 HOH 437) 44.33000200 +0 -1.48400000 +0 69.35199700 +0 -0.6623 O( 2897 HOH 438) 7.43300000 +0 1.06400000 +0 66.51699800 +0 -0.6241 O( 2898 HOH 439) 9.49000000 +0 -10.83800000 +0 53.55699900 +0 -0.6352 O( 2899 HOH 440) 51.87900200 +0 -3.84800000 +0 62.71400100 +0 -0.6558 O( 2900 HOH 441) 31.13400100 +0 -5.04500000 +0 44.99000200 +0 -0.6543 O( 2901 HOH 442) 23.41600000 +0 -34.16799900 +0 69.18100000 +0 -0.6419 O( 2902 HOH 443) 46.77700000 +0 -8.07200000 +0 70.50599700 +0 -0.6330 O( 2903 HOH 444) 52.40599800 +0 -4.83200000 +0 60.17100100 +0 -0.6514 O( 2904 HOH 445) 51.83700200 +0 -3.85100000 +0 65.86599700 +0 -0.6377 O( 2905 HOH 446) 41.69500000 +0 -5.69700000 +0 44.95299900 +0 -0.6681 O( 2906 HOH 447) 27.65000000 +0 -44.09000000 +0 48.00600100 +0 -0.6674 O( 2907 HOH 448) 52.49200100 +0 -10.67200000 +0 57.82700000 +0 -0.6563 O( 2908 HOH 449) 49.92200100 +0 2.81300000 +0 56.53300100 +0 -0.6605 O( 2909 HOH 450) 46.75999800 +0 4.18600000 +0 60.32899900 +0 -0.6621 O( 2910 HOH 451) 20.59900100 +0 -2.24400000 +0 49.42100100 +0 -0.6816 O( 2911 HOH 452) 44.30699900 +0 -3.57700000 +0 50.25299800 +0 -0.4850 O( 2912 HOH 453) 50.65300000 +0 6.37800000 +0 54.89099900 +0 -0.6296 O( 2913 O ) 6.29600000 +0 -12.74900000 +0 57.81700100 +0 -0.3102 O( 2914 HOH 454) 17.10300100 +0 -24.56600000 +0 69.28800200 +0 -0.6727 O( 2915 HOH 455) 48.23899800 +0 5.69900000 +0 59.42699800 +0 -0.6382 O( 2916 HOH 456) 26.63100100 +0 -38.47900000 +0 48.66099900 +0 -0.6302 O( 2917 HOH 457) 42.31000100 +0 2.17100000 +0 61.03200100 +0 -0.6431 O( 2918 HOH 458) 42.45399900 +0 -8.17400000 +0 39.98000000 +0 -0.6472 O( 2919 HOH 459) 11.42500000 +0 -13.25000000 +0 50.86899900 +0 -0.6367 O( 2920 HOH 460) 27.61400000 +0 -40.73700000 +0 46.30899800 +0 -0.6749 O( 2921 HOH 461) 29.40399900 +0 -46.29700100 +0 46.69100200 +0 -0.6390 O( 2922 HOH 462) 45.70900000 +0 -7.25500000 +0 48.05400100 +0 -0.6441 H( 2923 GLU 16) 27.44167775 +1 -7.02725780 +1 47.77603366 +1 0.4001 H( 2924 GLU 20) 22.91479176 +1 -5.52756805 +1 50.54866522 +1 0.3852 H( 2925 ASP 24) 16.43642394 +1 -5.60162276 +1 54.73169106 +1 0.3928 H( 2926 GLU 25) 14.44284395 +1 -10.57401722 +1 64.97745504 +1 0.4075 H( 2927 ASP 29) 18.95167682 +1 -5.09919924 +1 70.69836837 +1 0.4176 H( 2928 ASP 35) 31.36115290 +1 -8.30656211 +1 47.33534088 +1 0.4351 H( 2929 GLU 40) 43.23762299 +1 -4.16815227 +1 50.83499495 +1 0.4379 H( 2930 ASP 43) 38.32171903 +1 -2.61252165 +1 55.54868180 +1 0.4223 H( 2931 ASP 46) 38.60095539 +1 -0.26841099 +1 61.28124604 +1 0.3906 H( 2932 GLU 61) 39.17098972 +1 -27.32635215 +1 45.17653896 +1 0.4113 H( 2933 ASP 65) 34.86973425 +1 -11.51243371 +1 45.84144936 +1 0.4406 H( 2934 GLU 67) 44.78679329 +1 -18.64313221 +1 50.23918639 +1 0.3717 H( 2935 GLU 72) 47.61855811 +1 -9.74542982 +1 54.99061931 +1 0.4260 H( 2936 ASP 74) 50.03246644 +1 -18.11798782 +1 61.09994915 +1 0.3844 H( 2937 ASP 75) 50.02078426 +1 -11.03818617 +1 57.79066070 +1 0.3796 H( 2938 ASP 77) 45.42544433 +1 -9.14904653 +1 70.88171514 +1 0.4028 H( 2939 ASP 90) 23.62992182 +1 -26.87780454 +1 45.20881880 +1 0.4085 H( 2940 ASP 96) 29.96532319 +1 -36.79669656 +1 49.15744820 +1 0.3902 H( 2941 ASP 100) 34.75917838 +1 -29.34917290 +1 53.27357515 +1 0.4372 H( 2942 GLU 106) 34.75720338 +1 -23.35282327 +1 67.55400644 +1 0.4036 H( 2943 GLU 107) 40.17532870 +1 -28.61080435 +1 62.18953897 +1 0.3696 H( 2944 ASP 123) 16.01940225 +1 -31.74664020 +1 67.20496291 +1 0.3960 H( 2945 ASP 126) 17.61674240 +1 -36.89889349 +1 52.66814266 +1 0.3792 H( 2946 ASP 129) 33.14502435 +1 -35.90585715 +1 57.73658394 +1 0.4068 H( 2947 ASP 144) 19.90411549 +1 -27.30887566 +1 51.98357437 +1 0.4399 H( 2948 GLU 145) 18.55239644 +1 -16.21503653 +1 49.63496035 +1 0.3978 H( 2949 ASP 146) 23.17602643 +1 -22.93757588 +1 46.22953685 +1 0.4156 H( 2950 ASP 150) 9.09782956 +1 -23.71044595 +1 50.98405097 +1 0.3751 H( 2951 ASP 153) 11.63939037 +1 -13.74994437 +1 53.93309655 +1 0.3840 H( 2952 ASP 154) 9.46443337 +1 -20.17289231 +1 58.84444095 +1 0.3980 H( 2953 GLU 166) 25.51873652 +1 -19.36789915 +1 72.23455348 +1 0.3728 H( 2954 LEU 169) 21.79016638 +1 -3.98575903 +1 74.01125447 +1 0.3741 H( 2955 SO4 170) 13.45941089 +1 -2.12680661 +1 70.00701998 +1 0.3774 H( 2956 HOH 327) 13.66341318 +1 -5.35907382 +1 67.07783044 +1 0.3965 H( 2957 UNK 170) 29.06371760 +1 -17.68910535 +1 46.93456879 +1 0.4161 H( 2958 UNK 170) 26.75829123 +1 -16.56452915 +1 49.45199551 +1 0.4408 H( 2959 HOH 171) 27.73296239 +1 -18.71141975 +1 66.18587241 +1 0.3605 H( 2960 HOH 171) 28.09785785 +1 -19.92451995 +1 65.27158632 +1 0.3586 H( 2961 HOH 172) 35.47908358 +1 -17.69585691 +1 67.73463250 +1 0.3324 H( 2962 HOH 172) 35.89648128 +1 -19.04079784 +1 67.09031786 +1 0.3680 H( 2963 HOH 173) 28.66954780 +1 -22.44966011 +1 55.16559193 +1 0.3493 H( 2964 HOH 173) 29.51534472 +1 -21.43172285 +1 54.34581634 +1 0.3529 H( 2965 HOH 174) 32.63590279 +1 -10.32254426 +1 48.82151506 +1 0.3649 H( 2966 HOH 174) 33.49860919 +1 -11.38934699 +1 48.07755584 +1 0.3366 H( 2967 HOH 175) 29.12659544 +1 1.63290211 +1 69.67230848 +1 0.3543 H( 2968 HOH 175) 27.67726421 +1 1.20137342 +1 70.02973517 +1 0.3296 H( 2969 HOH 176) 22.90603624 +1 -21.24312280 +1 49.14178419 +1 0.3374 H( 2970 HOH 176) 22.50546056 +1 -22.64931602 +1 49.70498455 +1 0.3467 H( 2971 HOH 177) 34.89122035 +1 -3.91889934 +1 54.08960229 +1 0.3442 H( 2972 HOH 177) 34.71594769 +1 -4.99088446 +1 52.96685088 +1 0.3226 H( 2973 HOH 178) 32.69475151 +1 -32.37015438 +1 56.20344845 +1 0.3504 H( 2974 HOH 178) 32.02244174 +1 -32.88905541 +1 54.89150828 +1 0.3343 H( 2975 HOH 179) 10.85795917 +1 -18.86553722 +1 55.97572232 +1 0.3546 H( 2976 HOH 179) 9.87941787 +1 -18.28429928 +1 57.01778054 +1 0.3384 H( 2977 HOH 180) 31.09511585 +1 -4.27222226 +1 67.81583863 +1 0.3556 H( 2978 HOH 180) 31.36705851 +1 -4.11351831 +1 69.34003602 +1 0.3489 H( 2979 HOH 181) 12.73967621 +1 -16.52449967 +1 53.57096911 +1 0.3462 H( 2980 HOH 181) 12.25836894 +1 -17.99132588 +1 53.40641581 +1 0.3430 H( 2981 HOH 182) 18.71905059 +1 -26.35355334 +1 63.17078382 +1 0.3516 H( 2982 HOH 182) 17.75797046 +1 -27.50478370 +1 62.73976736 +1 0.3550 H( 2983 HOH 183) 39.61662648 +1 -21.97406164 +1 47.87710762 +1 0.3512 H( 2984 HOH 183) 38.38180848 +1 -21.07025396 +1 48.22294287 +1 0.3332 H( 2985 HOH 184) 20.59177836 +1 -3.51109529 +1 63.15551894 +1 0.3682 H( 2986 HOH 184) 20.16033674 +1 -4.34654908 +1 61.90086906 +1 0.3503 H( 2987 HOH 185) 25.87742418 +1 4.70206267 +1 65.03678823 +1 0.3543 H( 2988 HOH 185) 24.75274547 +1 4.94990320 +1 66.06885736 +1 0.3189 H( 2989 HOH 186) 40.02703794 +1 -23.83780492 +1 50.17255106 +1 0.3555 H( 2990 HOH 186) 39.85937858 +1 -23.39780663 +1 51.64372633 +1 0.3328 H( 2991 HOH 187) 24.48447232 +1 -25.76871702 +1 43.44827986 +1 0.3346 H( 2992 HOH 187) 23.27440093 +1 -25.01264877 +1 44.02555479 +1 0.3463 H( 2993 HOH 188) 30.42633118 +1 -32.78845327 +1 49.28660827 +1 0.3507 H( 2994 HOH 188) 29.71885605 +1 -33.56054877 +1 48.13360658 +1 0.3508 H( 2995 HOH 189) 11.96153556 +1 -23.60861855 +1 49.23778642 +1 0.3443 H( 2996 HOH 189) 11.73031572 +1 -24.60016836 +1 50.40138344 +1 0.3494 H( 2997 HOH 190) 34.87374326 +1 -14.36665844 +1 43.42824599 +1 0.3420 H( 2998 HOH 190) 33.40531766 +1 -14.83356505 +1 43.54644638 +1 0.3232 H( 2999 HOH 191) 32.15150562 +1 -20.23726808 +1 72.31762849 +1 0.3298 H( 3000 HOH 191) 32.61455054 +1 -21.25095890 +1 73.42642413 +1 0.3622 H( 3001 HOH 192) 36.72818612 +1 -24.36940316 +1 66.04341867 +1 0.3271 H( 3002 HOH 192) 36.63704768 +1 -25.89010532 +1 66.15355896 +1 0.3201 H( 3003 HOH 193) 26.25400455 +1 -1.04156205 +1 56.02494316 +1 0.3272 H( 3004 HOH 193) 25.07074925 +1 -1.12280449 +1 57.01787228 +1 0.3493 H( 3005 HOH 194) 22.70632463 +1 -30.53954228 +1 66.99018007 +1 0.3476 H( 3006 HOH 194) 21.68707438 +1 -31.39313517 +1 66.22150142 +1 0.3390 H( 3007 HOH 195) 40.76586909 +1 -24.11622637 +1 47.76123196 +1 0.3378 H( 3008 HOH 195) 39.90837026 +1 -23.82892533 +1 46.48930835 +1 0.3573 H( 3009 HOH 196) 25.04779752 +1 -4.40249575 +1 76.63046676 +1 0.3476 H( 3010 HOH 196) 23.60844480 +1 -4.91590802 +1 76.84228408 +1 0.3231 H( 3011 HOH 197) 24.82940210 +1 -19.51283313 +1 43.45085343 +1 0.3429 H( 3012 HOH 197) 25.06291645 +1 -20.83171011 +1 42.68184119 +1 0.3135 H( 3013 HOH 198) 15.25855223 +1 -22.82192211 +1 47.43702374 +1 0.3335 H( 3014 HOH 198) 13.83420621 +1 -23.44667637 +1 47.28363217 +1 0.3625 H( 3015 HOH 199) 39.61534420 +1 -20.39933383 +1 46.15370602 +1 0.3331 H( 3016 HOH 199) 40.31434518 +1 -19.03361424 +1 46.25582593 +1 0.3409 H( 3017 O ) 16.05682706 +1 -7.22120118 +1 67.19713249 +1 0.4010 H( 3018 O ) 15.25646472 +1 -8.66302980 +1 67.19051642 +1 0.3618 H( 3019 O ) 5.13007945 +1 -12.67531293 +1 56.27874934 +1 0.2958 H( 3020 HOH 200) 37.26215464 +1 -27.01251750 +1 61.32787350 +1 0.3184 H( 3021 HOH 200) 35.73173891 +1 -26.95935792 +1 61.36957369 +1 0.3630 H( 3022 HOH 201) 37.70195250 +1 -13.65442498 +1 42.66983727 +1 0.3303 H( 3023 HOH 201) 37.18396472 +1 -13.11402911 +1 41.33196239 +1 0.3280 H( 3024 HOH 202) 20.17142597 +1 -32.61270143 +1 61.01488805 +1 0.3325 H( 3025 HOH 202) 19.81742652 +1 -33.74130181 +1 60.02778086 +1 0.3308 H( 3026 HOH 203) 24.10000141 +1 4.02149388 +1 64.01066618 +1 0.3486 H( 3027 HOH 203) 23.25293177 +1 3.46658411 +1 62.80864616 +1 0.3487 H( 3028 HOH 204) 30.36319909 +1 -33.92489244 +1 65.46020470 +1 0.3332 H( 3029 HOH 204) 29.06376645 +1 -34.23041481 +1 64.68747242 +1 0.3300 H( 3030 HOH 205) 35.69390727 +1 -32.32223526 +1 55.23933461 +1 0.3202 H( 3031 HOH 205) 34.31885454 +1 -32.97083977 +1 54.88199762 +1 0.3468 H( 3032 HOH 206) 33.24660356 +1 0.47412534 +1 65.95250178 +1 0.3349 H( 3033 HOH 206) 33.12354907 +1 -0.97772882 +1 65.46286041 +1 0.3401 H( 3034 HOH 207) 29.67085143 +1 -19.55805665 +1 72.77157009 +1 0.3409 H( 3035 HOH 207) 29.92911477 +1 -20.66378998 +1 73.80311515 +1 0.3251 H( 3036 HOH 208) 39.81196409 +1 -9.35279823 +1 50.32356611 +1 0.3376 H( 3037 HOH 208) 39.53075351 +1 -8.07122887 +1 51.14147898 +1 0.3470 H( 3038 HOH 209) 26.34517834 +1 1.49073376 +1 59.83141058 +1 0.3327 H( 3039 HOH 209) 26.00480156 +1 1.07022747 +1 61.27962451 +1 0.3385 H( 3040 HOH 210) 25.56576157 +1 -30.93052148 +1 42.04752703 +1 0.3370 H( 3041 HOH 210) 24.39897440 +1 -29.97567105 +1 41.73789978 +1 0.3297 H( 3042 HOH 211) 42.06961737 +1 -17.03654298 +1 45.75965580 +1 0.3576 H( 3043 HOH 211) 41.58334791 +1 -18.17249231 +1 44.78445504 +1 0.3244 H( 3044 HOH 212) 19.88873450 +1 1.09711349 +1 66.07408541 +1 0.3552 H( 3045 HOH 212) 20.06228852 +1 1.80193816 +1 64.68943500 +1 0.3156 H( 3046 HOH 213) 32.75477335 +1 -34.80713635 +1 53.45332695 +1 0.3367 H( 3047 HOH 213) 32.83530634 +1 -36.09360130 +1 54.29572267 +1 0.3315 H( 3048 HOH 214) 27.99672798 +1 -1.52184728 +1 50.09110772 +1 0.3240 H( 3049 HOH 214) 28.03969723 +1 -2.90086397 +1 50.80246927 +1 0.3457 H( 3050 HOH 215) 34.02628107 +1 -24.77157336 +1 68.99546327 +1 0.3359 H( 3051 HOH 215) 32.77091110 +1 -24.03118927 +1 68.49775441 +1 0.3431 H( 3052 HOH 216) 35.93972066 +1 -29.41333417 +1 61.39269714 +1 0.3510 H( 3053 HOH 216) 34.86601470 +1 -30.51651081 +1 61.65698122 +1 0.3497 H( 3054 HOH 217) 47.53482389 +1 -20.40862308 +1 58.69074496 +1 0.3285 H( 3055 HOH 217) 47.60889607 +1 -21.34665408 +1 59.89842096 +1 0.3525 H( 3056 HOH 218) 15.15608387 +1 -10.24194030 +1 68.95529774 +1 0.3602 H( 3057 HOH 218) 14.98737623 +1 -10.96905196 +1 67.56058645 +1 0.3523 H( 3058 O ) 34.41538013 +1 -17.84968572 +1 44.56437490 +1 0.2783 H( 3059 HOH 219) 31.87874753 +1 -11.82487138 +1 45.47289025 +1 0.3421 H( 3060 HOH 219) 31.11913807 +1 -11.14708754 +1 44.28976393 +1 0.3616 H( 3061 HOH 220) 17.15333190 +1 -20.94493594 +1 54.62538488 +1 0.3539 H( 3062 HOH 220) 16.64237931 +1 -22.24799542 +1 53.95905937 +1 0.3526 H( 3063 HOH 221) 41.07550908 +1 -24.63885452 +1 59.98286328 +1 0.3559 H( 3064 HOH 221) 40.06186874 +1 -23.46634654 +1 59.79303353 +1 0.3441 H( 3065 HOH 222) 27.64064898 +1 -4.69601208 +1 52.36170726 +1 0.3265 H( 3066 HOH 222) 28.34370173 +1 -4.94185902 +1 51.00539525 +1 0.3326 H( 3067 HOH 223) 38.02779059 +1 -14.68608784 +1 72.35367752 +1 0.3531 H( 3068 HOH 223) 36.73770175 +1 -13.81230451 +1 72.42966621 +1 0.3465 H( 3069 HOH 224) 26.47299861 +1 -21.09069999 +1 71.76050538 +1 0.3434 H( 3070 HOH 224) 24.96621228 +1 -21.27425970 +1 72.09271353 +1 0.3441 H( 3071 HOH 225) 25.94905812 +1 -34.53174941 +1 46.82210493 +1 0.3267 H( 3072 HOH 225) 24.50979620 +1 -34.65097323 +1 47.38017640 +1 0.3475 H( 3073 HOH 226) 39.55689540 +1 -27.48720772 +1 42.99467105 +1 0.3229 H( 3074 HOH 226) 38.81097513 +1 -28.76441843 +1 43.44382503 +1 0.3423 H( 3075 HOH 227) 34.18226146 +1 -2.83686124 +1 75.44680659 +1 0.3327 H( 3076 HOH 227) 33.25832022 +1 -1.91250743 +1 76.24922645 +1 0.3163 H( 3077 HOH 228) 32.37050350 +1 -2.06339440 +1 55.42410391 +1 0.3192 H( 3078 HOH 228) 30.84486781 +1 -2.09943787 +1 55.23504443 +1 0.3344 H( 3079 HOH 229) 18.71872635 +1 -6.97159442 +1 74.37851449 +1 0.3547 H( 3080 HOH 229) 18.41169298 +1 -8.24698679 +1 73.55269029 +1 0.3538 H( 3081 HOH 230) 33.71163275 +1 0.92901258 +1 71.13392634 +1 0.3561 H( 3082 HOH 230) 33.18346986 +1 2.21538690 +1 71.79604159 +1 0.3124 H( 3083 HOH 231) 45.22264104 +1 -19.36373156 +1 58.97787220 +1 0.3330 H( 3084 HOH 231) 44.64635226 +1 -18.54599897 +1 57.79370675 +1 0.3368 H( 3085 HOH 232) 40.62056692 +1 -6.12616554 +1 49.80776869 +1 0.3283 H( 3086 HOH 232) 40.98520098 +1 -4.99907059 +1 50.78118126 +1 0.3337 H( 3087 HOH 233) 36.02855673 +1 -4.00342462 +1 56.29462663 +1 0.3148 H( 3088 HOH 233) 34.81289214 +1 -3.06681844 +1 56.08649410 +1 0.3790 H( 3089 HOH 234) 51.59725368 +1 -14.96338582 +1 64.61767181 +1 0.3130 H( 3090 HOH 234) 50.09273007 +1 -15.23193953 +1 64.47064135 +1 0.3398 H( 3091 HOH 235) 41.89454580 +1 -2.14302906 +1 62.12099253 +1 0.3421 H( 3092 HOH 235) 40.81787373 +1 -1.09498661 +1 62.48087657 +1 0.3407 H( 3093 HOH 236) 36.29267291 +1 -33.21118613 +1 59.04860979 +1 0.3613 H( 3094 HOH 236) 35.96262100 +1 -34.70185977 +1 58.66343243 +1 0.3403 H( 3095 HOH 237) 45.98648027 +1 -5.41349875 +1 55.77748547 +1 0.3228 H( 3096 HOH 237) 45.66034598 +1 -6.89504186 +1 55.51150670 +1 0.3548 H( 3097 HOH 238) 36.26890898 +1 -20.13142163 +1 70.83999300 +1 0.3393 H( 3098 HOH 238) 35.57563048 +1 -20.66303550 +1 69.57408352 +1 0.3403 H( 3099 HOH 239) 33.63004976 +1 -33.09410004 +1 58.61957999 +1 0.3539 H( 3100 HOH 239) 34.35537121 +1 -33.43197937 +1 57.30221741 +1 0.3525 H( 3101 HOH 240) 48.06324255 +1 -15.69727326 +1 57.78036387 +1 0.3511 H( 3102 HOH 240) 47.09529073 +1 -16.89593432 +1 57.99027644 +1 0.3477 H( 3103 HOH 241) 41.56798338 +1 -7.02218708 +1 66.63467493 +1 0.3508 H( 3104 HOH 241) 41.51491697 +1 -7.00807840 +1 68.18795219 +1 0.3299 H( 3105 HOH 242) 16.90000130 +1 -34.17955910 +1 64.18424803 +1 0.3415 H( 3106 HOH 242) 17.85291111 +1 -35.09704015 +1 63.41822250 +1 0.3456 H( 3107 HOH 243) 28.05452933 +1 -4.55268019 +1 78.97830568 +1 0.3291 H( 3108 HOH 243) 28.21762750 +1 -3.25554658 +1 79.78517749 +1 0.3127 H( 3109 HOH 244) 17.00889869 +1 -25.52702682 +1 61.79277615 +1 0.3478 H( 3110 HOH 244) 15.49376367 +1 -25.57038009 +1 61.37487131 +1 0.3506 H( 3111 HOH 245) 35.44562388 +1 -3.08203973 +1 70.16126170 +1 0.3429 H( 3112 HOH 245) 35.01597589 +1 -3.23298510 +1 71.62133419 +1 0.3273 H( 3113 HOH 246) 33.45683676 +1 2.85279392 +1 68.11606110 +1 0.3294 H( 3114 HOH 246) 33.33383193 +1 4.16991055 +1 67.33877774 +1 0.3186 H( 3115 HOH 247) 28.58424881 +1 -28.29187727 +1 69.71288735 +1 0.3280 H( 3116 HOH 247) 27.81339446 +1 -28.05376725 +1 71.02000845 +1 0.3164 H( 3117 HOH 248) 36.45907122 +1 -28.36637596 +1 52.51613366 +1 0.3654 H( 3118 HOH 248) 36.67351131 +1 -29.94598522 +1 52.55790314 +1 0.3726 H( 3119 HOH 249) 14.86617412 +1 -12.88739456 +1 66.06670336 +1 0.3557 H( 3120 HOH 249) 13.49062875 +1 -12.25195226 +1 66.44217303 +1 0.3534 H( 3121 HOH 250) 30.29782013 +1 -34.17017683 +1 45.98487226 +1 0.3347 H( 3122 HOH 250) 28.94991646 +1 -33.42236395 +1 45.99563541 +1 0.3377 H( 3123 HOH 251) 42.17548145 +1 -6.88409462 +1 52.27930837 +1 0.3492 H( 3124 HOH 251) 42.05408004 +1 -7.81324379 +1 51.05934522 +1 0.3390 H( 3125 HOH 252) 25.12879255 +1 -3.89583130 +1 68.45686630 +1 0.3415 H( 3126 HOH 252) 24.64651049 +1 -3.88353898 +1 66.97823609 +1 0.3275 H( 3127 HOH 253) 18.85328773 +1 -23.37268995 +1 67.16758494 +1 0.3410 H( 3128 HOH 253) 19.70629437 +1 -24.11955019 +1 68.21558398 +1 0.3484 H( 3129 HOH 254) 30.37779403 +1 0.23538064 +1 63.27071861 +1 0.3244 H( 3130 HOH 254) 29.50079584 +1 -0.13863935 +1 62.03638810 +1 0.3455 H( 3131 HOH 255) 41.33725403 +1 -11.07035522 +1 50.40366662 +1 0.3497 H( 3132 HOH 255) 40.00484245 +1 -11.88342850 +1 50.30821636 +1 0.3467 H( 3133 HOH 256) 23.18085152 +1 -0.50244606 +1 58.04764319 +1 0.3608 H( 3134 HOH 256) 22.49180546 +1 -0.10078530 +1 56.71292578 +1 0.3413 H( 3135 HOH 257) 37.20428835 +1 -15.32107544 +1 74.81152546 +1 0.3347 H( 3136 HOH 257) 38.26908300 +1 -16.25493017 +1 75.39054958 +1 0.3154 H( 3137 HOH 258) 17.73551575 +1 -4.62475907 +1 72.17045779 +1 0.3349 H( 3138 HOH 258) 18.44404513 +1 -6.00925509 +1 72.42322303 +1 0.3584 H( 3139 HOH 259) 27.89459930 +1 -7.02767835 +1 75.77996408 +1 0.3490 H( 3140 HOH 259) 26.55767798 +1 -6.56346083 +1 75.12006151 +1 0.3374 H( 3141 HOH 260) 23.38770907 +1 -9.31045020 +1 46.51248589 +1 0.3409 H( 3142 HOH 260) 22.99462023 +1 -10.70088167 +1 47.09076899 +1 0.3190 H( 3143 HOH 261) 17.48082811 +1 -12.37484364 +1 72.01663685 +1 0.3505 H( 3144 HOH 261) 16.39143834 +1 -12.69820500 +1 73.07010415 +1 0.3247 H( 3145 HOH 262) 21.45083795 +1 -33.85617679 +1 51.72604255 +1 0.3415 H( 3146 HOH 262) 21.29150999 +1 -35.39933181 +1 51.82613472 +1 0.3592 H( 3147 HOH 263) 41.47491134 +1 -1.56609645 +1 59.76003638 +1 0.3498 H( 3148 HOH 263) 41.07679354 +1 -2.40590416 +1 58.50998732 +1 0.3498 H( 3149 HOH 264) 36.73890289 +1 -31.12526789 +1 59.84975781 +1 0.3394 H( 3150 HOH 264) 37.06295436 +1 -32.12964762 +1 60.94373929 +1 0.3361 H( 3151 HOH 265) 19.83700279 +1 -22.95918116 +1 43.61754668 +1 0.3355 H( 3152 HOH 265) 18.46534562 +1 -23.45301495 +1 43.07245700 +1 0.3595 H( 3153 HOH 266) 30.48870957 +1 -30.15089349 +1 41.50922248 +1 0.3227 H( 3154 HOH 266) 29.37261243 +1 -29.22747935 +1 42.04204252 +1 0.3306 H( 3155 HOH 267) 39.03855855 +1 -12.47092342 +1 77.16784120 +1 0.3166 H( 3156 HOH 267) 38.11452391 +1 -13.40268653 +1 76.36759595 +1 0.3263 H( 3157 HOH 268) 21.27448065 +1 -28.41037013 +1 43.65990965 +1 0.3348 H( 3158 HOH 268) 20.99392210 +1 -29.71819582 +1 44.39657120 +1 0.3333 H( 3159 HOH 269) 24.30932404 +1 0.21194060 +1 60.12331365 +1 0.3373 H( 3160 HOH 269) 24.40917757 +1 -1.32605607 +1 59.87972760 +1 0.3501 H( 3161 HOH 270) 35.91134621 +1 -1.16900661 +1 60.50030501 +1 0.3437 H( 3162 HOH 270) 36.62175968 +1 -2.51634467 +1 60.75783237 +1 0.3264 H( 3163 HOH 271) 16.67804253 +1 -33.88080383 +1 61.65145303 +1 0.3555 H( 3164 HOH 271) 17.01582776 +1 -33.73516954 +1 60.14354169 +1 0.3396 H( 3165 HOH 272) 30.00687517 +1 -11.20405283 +1 42.04378046 +1 0.3304 H( 3166 HOH 272) 29.88772668 +1 -12.64383492 +1 42.59917712 +1 0.3471 H( 3167 HOH 273) 35.96684721 +1 0.66788491 +1 48.33223621 +1 0.3277 H( 3168 HOH 273) 36.41798519 +1 0.27022892 +1 49.74698156 +1 0.3281 H( 3169 HOH 274) 13.35342504 +1 -28.05075846 +1 58.01764742 +1 0.3150 H( 3170 HOH 274) 14.29169704 +1 -29.09772182 +1 57.39862028 +1 0.3394 H( 3171 HOH 275) 12.11176545 +1 -25.05978248 +1 46.74226529 +1 0.3366 H( 3172 HOH 275) 12.99309831 +1 -25.37159200 +1 47.98334867 +1 0.3450 H( 3173 HOH 276) 26.80129828 +1 5.88173249 +1 63.00399535 +1 0.3384 H( 3174 HOH 276) 27.83081787 +1 5.18016352 +1 63.94859772 +1 0.3328 H( 3175 HOH 277) 15.96849602 +1 -17.41978964 +1 68.86994911 +1 0.3366 H( 3176 HOH 277) 16.26811858 +1 -18.89252118 +1 69.22313331 +1 0.3427 H( 3177 HOH 278) 40.15965974 +1 -13.29388152 +1 45.78672887 +1 0.3271 H( 3178 HOH 278) 39.03396916 +1 -12.27058475 +1 46.02576928 +1 0.3547 H( 3179 HOH 279) 30.51121212 +1 -4.80087563 +1 46.79869344 +1 0.3522 H( 3180 HOH 279) 30.44051504 +1 -6.04297249 +1 47.71677372 +1 0.3241 H( 3181 HOH 280) 14.92899996 +1 -5.97380102 +1 70.26400357 +1 0.3742 H( 3182 HOH 280) 14.74905403 +1 -7.50276169 +1 70.05309643 +1 0.3162 H( 3183 HOH 281) 10.98673725 +1 0.74775102 +1 65.65478950 +1 0.3247 H( 3184 HOH 281) 10.94573300 +1 -0.74861268 +1 65.99345566 +1 0.3208 H( 3185 HOH 282) 31.92030447 +1 -8.33191810 +1 45.50511695 +1 0.3503 H( 3186 HOH 282) 31.48945850 +1 -9.79074630 +1 45.97984403 +1 0.3690 H( 3187 HOH 283) 21.66945090 +1 -35.55418151 +1 58.30516137 +1 0.3476 H( 3188 HOH 283) 20.43999174 +1 -36.31864974 +1 57.78593759 +1 0.3215 H( 3189 HOH 284) 32.79239932 +1 -30.66870078 +1 62.94627122 +1 0.3495 H( 3190 HOH 284) 33.39788816 +1 -32.08578498 +1 62.64977711 +1 0.3436 H( 3191 HOH 285) 18.97175625 +1 -28.47334074 +1 45.43649498 +1 0.3515 H( 3192 HOH 285) 18.60259047 +1 -28.96636876 +1 44.01945384 +1 0.3282 H( 3193 HOH 286) 22.79142506 +1 -37.57428927 +1 53.05210363 +1 0.3540 H( 3194 HOH 286) 21.38650853 +1 -37.12463123 +1 53.53256734 +1 0.3386 H( 3195 HOH 287) 46.50441229 +1 -13.85225458 +1 50.89427440 +1 0.3292 H( 3196 HOH 287) 45.53438397 +1 -12.70365163 +1 50.60298780 +1 0.3164 H( 3197 HOH 288) 36.03937994 +1 -5.58684164 +1 75.71997343 +1 0.3255 H( 3198 HOH 288) 34.51961683 +1 -5.73809236 +1 75.66665820 +1 0.3357 H( 3199 HOH 289) 30.71481638 +1 3.09125334 +1 68.27938293 +1 0.3341 H( 3200 HOH 289) 30.42190559 +1 1.61656754 +1 67.95288035 +1 0.3335 H( 3201 HOH 290) 36.73807346 +1 -28.22427961 +1 44.15244942 +1 0.3440 H( 3202 HOH 290) 36.87787959 +1 -29.75017686 +1 44.14513576 +1 0.3209 H( 3203 HOH 291) 35.44435766 +1 -10.66409556 +1 44.31594131 +1 0.3700 H( 3204 HOH 291) 34.59966822 +1 -11.98434752 +1 44.03522959 +1 0.3361 H( 3205 HOH 292) 42.34004036 +1 -24.84104753 +1 49.67759795 +1 0.3562 H( 3206 HOH 292) 41.42190103 +1 -26.05951756 +1 49.36990084 +1 0.3260 H( 3207 HOH 293) 20.91229365 +1 -12.70408827 +1 45.45385201 +1 0.3509 H( 3208 HOH 293) 19.53179850 +1 -12.35202639 +1 46.07671004 +1 0.3468 H( 3209 HOH 294) 17.67836012 +1 -20.00635627 +1 40.56983179 +1 0.3165 H( 3210 HOH 294) 17.48502756 +1 -19.17226281 +1 41.84169911 +1 0.3192 H( 3211 HOH 295) 37.90451312 +1 -9.73807968 +1 44.05385149 +1 0.3532 H( 3212 HOH 295) 37.61544585 +1 -10.20740701 +1 45.50166875 +1 0.3514 H( 3213 HOH 296) 14.46893987 +1 -14.26839583 +1 53.58373280 +1 0.3546 H( 3214 HOH 296) 15.00447967 +1 -15.17524342 +1 52.42012969 +1 0.3271 H( 3215 HOH 297) 25.00813524 +1 -19.30927112 +1 75.56115222 +1 0.3151 H( 3216 HOH 297) 26.18259809 +1 -20.12682849 +1 76.10656570 +1 0.3163 H( 3217 HOH 298) 15.40639011 +1 -17.50059477 +1 51.46325916 +1 0.3234 H( 3218 HOH 298) 13.95437967 +1 -16.97353138 +1 51.44002646 +1 0.3382 H( 3219 HOH 299) 49.73222357 +1 -20.24820713 +1 59.64008874 +1 0.3438 H( 3220 HOH 299) 50.24547947 +1 -20.89521210 +1 58.35493344 +1 0.3280 H( 3221 HOH 300) 33.28964704 +1 -32.36463145 +1 66.26805266 +1 0.3287 H( 3222 HOH 300) 33.25181683 +1 -33.37817982 +1 67.42581742 +1 0.3307 H( 3223 HOH 301) 13.79823811 +1 -7.58432459 +1 55.83900094 +1 0.3197 H( 3224 HOH 301) 12.88426344 +1 -8.73517739 +1 55.39600515 +1 0.3216 H( 3225 HOH 302) 23.62777861 +1 -2.33340373 +1 49.01289509 +1 0.3241 H( 3226 HOH 302) 22.28266718 +1 -3.06117661 +1 49.24383696 +1 0.3564 H( 3227 HOH 303) 44.12658405 +1 -7.34840313 +1 53.43394635 +1 0.3644 H( 3228 HOH 303) 44.37015719 +1 -8.68182257 +1 54.19329408 +1 0.3463 H( 3229 HOH 304) 39.29962222 +1 -3.54101409 +1 46.99142215 +1 0.2429 H( 3230 HOH 304) 38.96513826 +1 -4.93551090 +1 47.54709120 +1 0.3145 H( 3231 HOH 305) 24.72517853 +1 -36.90893956 +1 48.44689027 +1 0.3164 H( 3232 HOH 305) 23.19555596 +1 -37.06804736 +1 48.66317191 +1 0.3491 H( 3233 HOH 306) 22.29576378 +1 -1.11553317 +1 60.69609634 +1 0.3447 H( 3234 HOH 306) 21.26084523 +1 -2.13282041 +1 61.30546885 +1 0.3426 H( 3235 HOH 307) 34.37561637 +1 -19.90136232 +1 43.49172822 +1 0.3435 H( 3236 HOH 307) 35.69862381 +1 -20.69614269 +1 43.72661406 +1 0.3303 H( 3237 HOH 308) 18.13997283 +1 -8.63252206 +1 51.06238408 +1 0.3421 H( 3238 HOH 308) 18.23875034 +1 -9.96496389 +1 51.85067392 +1 0.3400 H( 3239 HOH 309) 37.07034315 +1 -21.57602214 +1 45.52626226 +1 0.3337 H( 3240 HOH 309) 36.27185334 +1 -21.07701288 +1 46.75507301 +1 0.3535 H( 3241 HOH 310) 9.86710810 +1 -17.56657938 +1 49.84825642 +1 0.3304 H( 3242 HOH 310) 8.80795314 +1 -18.58444068 +1 50.32766548 +1 0.3260 H( 3243 HOH 311) 20.26705175 +1 -0.46407040 +1 59.92991764 +1 0.3373 H( 3244 HOH 311) 19.01762279 +1 -0.59434738 +1 59.03284426 +1 0.3248 H( 3245 HOH 312) 13.65683243 +1 -28.07130702 +1 49.70352716 +1 0.3398 H( 3246 HOH 312) 13.36970703 +1 -29.42873350 +1 50.40065827 +1 0.3188 H( 3247 HOH 313) 43.26121178 +1 -9.89985435 +1 51.61006179 +1 0.3350 H( 3248 HOH 313) 43.67738184 +1 -11.24691649 +1 52.23033060 +1 0.3489 H( 3249 HOH 314) 45.33452831 +1 -7.58096050 +1 65.46994105 +1 0.3295 H( 3250 HOH 314) 43.90629701 +1 -7.46352916 +1 66.04945797 +1 0.3473 H( 3251 HOH 315) 17.50606370 +1 -2.55448585 +1 61.92926759 +1 0.3568 H( 3252 HOH 315) 18.15805525 +1 -3.76434584 +1 61.21090301 +1 0.3285 H( 3253 HOH 316) 33.18006447 +1 -33.86321522 +1 49.05466563 +1 0.3349 H( 3254 HOH 316) 33.48982052 +1 -35.29317839 +1 49.54120930 +1 0.3130 H( 3255 HOH 317) 12.84050833 +1 -6.62710015 +1 61.16494300 +1 0.3225 H( 3256 HOH 317) 12.10581448 +1 -7.98113413 +1 61.24980360 +1 0.3261 H( 3257 HOH 318) 28.99627432 +1 -44.03483665 +1 49.59668309 +1 0.3237 H( 3258 HOH 318) 29.38122024 +1 -42.99871901 +1 48.54909593 +1 0.3166 H( 3259 HOH 319) 12.27271900 +1 -18.35598964 +1 63.60541375 +1 0.3374 H( 3260 HOH 319) 11.33554352 +1 -19.15156656 +1 64.53698129 +1 0.3179 H( 3261 HOH 320) 48.29991284 +1 -7.86273277 +1 56.64032721 +1 0.3461 H( 3262 HOH 320) 48.23765005 +1 -9.05543043 +1 57.61445428 +1 0.3453 H( 3263 HOH 321) 39.43644353 +1 -7.37553064 +1 47.42706905 +1 0.3519 H( 3264 HOH 321) 39.45276429 +1 -7.31933201 +1 45.87669872 +1 0.3425 H( 3265 HOH 322) 23.33905381 +1 -15.31339927 +1 42.09531625 +1 0.3346 H( 3266 HOH 322) 22.13172927 +1 -15.75633106 +1 41.24480582 +1 0.3170 H( 3267 HOH 323) 13.73611654 +1 -12.01217647 +1 59.06010803 +1 0.3311 H( 3268 HOH 323) 13.80715256 +1 -13.52120477 +1 59.38994112 +1 0.3311 H( 3269 HOH 324) 37.84810100 +1 -4.14612223 +1 69.25428507 +1 0.3278 H( 3270 HOH 324) 37.03007690 +1 -5.43745727 +1 69.27885742 +1 0.3527 H( 3271 HOH 325) 25.79018080 +1 -13.69894513 +1 39.35551725 +1 0.3211 H( 3272 HOH 325) 25.01150966 +1 -13.27453669 +1 40.60575732 +1 0.3214 H( 3273 HOH 326) 42.24128727 +1 -16.37514922 +1 47.74628024 +1 0.3441 H( 3274 HOH 326) 40.82783285 +1 -16.04739714 +1 47.20510366 +1 0.3344 H( 3275 O ) 14.36801051 +1 -7.17281921 +1 66.98965446 +1 0.3759 H( 3276 HOH 327) 13.27879560 +1 -6.33061304 +1 65.86503006 +1 0.3293 H( 3277 HOH 328) 40.25608926 +1 -9.39406350 +1 43.08442948 +1 0.3303 H( 3278 HOH 328) 40.19094737 +1 -10.70449783 +1 43.88927503 +1 0.3321 H( 3279 HOH 329) 36.24819147 +1 1.71169345 +1 64.98381931 +1 0.3475 H( 3280 HOH 329) 35.16070876 +1 2.71169396 +1 64.57094124 +1 0.3212 H( 3281 HOH 330) 15.29300169 +1 -26.65671168 +1 59.58128466 +1 0.3309 H( 3282 HOH 330) 15.66720177 +1 -27.56807649 +1 60.79721699 +1 0.3417 H( 3283 HOH 331) 16.58381165 +1 -24.03945037 +1 44.44530931 +1 0.3446 H( 3284 HOH 331) 16.38062564 +1 -22.51069310 +1 44.33302685 +1 0.3189 H( 3285 HOH 332) 13.52463602 +1 -21.51114136 +1 64.19001591 +1 0.3295 H( 3286 HOH 332) 13.93201008 +1 -21.79348699 +1 62.74198442 +1 0.3338 H( 3287 HOH 333) 47.17301692 +1 -6.43298654 +1 64.01240847 +1 0.3244 H( 3288 HOH 333) 46.60044422 +1 -7.67971118 +1 63.31522698 +1 0.3530 H( 3289 HOH 334) 13.41785419 +1 -32.95083280 +1 63.88994297 +1 0.3275 H( 3290 HOH 334) 14.15123142 +1 -32.46481495 +1 62.63241080 +1 0.3378 H( 3291 HOH 335) 25.60238156 +1 -31.66501339 +1 70.95845244 +1 0.3335 H( 3292 HOH 335) 24.33492983 +1 -32.49856263 +1 70.73746338 +1 0.3202 H( 3293 HOH 336) 37.14605250 +1 -7.51263565 +1 72.87292743 +1 0.3271 H( 3294 HOH 336) 35.89496887 +1 -7.55830349 +1 73.75399557 +1 0.3316 H( 3295 HOH 337) 28.06695690 +1 -23.83645189 +1 53.43064318 +1 0.3410 H( 3296 HOH 337) 27.53077736 +1 -23.46503550 +1 52.02582642 +1 0.3400 H( 3297 HOH 338) 18.32742353 +1 -10.19441969 +1 75.09587893 +1 0.3319 H( 3298 HOH 338) 17.46067416 +1 -10.52857985 +1 73.85472581 +1 0.3455 H( 3299 HOH 339) 44.50322987 +1 -1.78429244 +1 63.12563171 +1 0.3305 H( 3300 HOH 339) 43.49643582 +1 -2.07091078 +1 64.25408127 +1 0.3360 H( 3301 HOH 340) 21.43121647 +1 2.44200931 +1 61.32319575 +1 0.3232 H( 3302 HOH 340) 21.62878920 +1 1.32050759 +1 62.35800885 +1 0.3604 H( 3303 HOH 341) 12.75566169 +1 -26.61492063 +1 50.82261795 +1 0.3396 H( 3304 HOH 341) 11.49927269 +1 -27.49726461 +1 50.70172615 +1 0.3481 H( 3305 HOH 342) 40.16964000 +1 -10.38040043 +1 48.21952087 +1 0.3419 H( 3306 HOH 342) 39.51954290 +1 -9.60651159 +1 47.03982301 +1 0.3443 H( 3307 HOH 343) 11.90377360 +1 -19.44520012 +1 48.91749104 +1 0.3284 H( 3308 HOH 343) 10.85140114 +1 -19.29966722 +1 50.05379809 +1 0.3384 H( 3309 HOH 344) 12.27879268 +1 -12.19345962 +1 68.46120975 +1 0.3333 H( 3310 HOH 344) 11.39374294 +1 -12.88667043 +1 67.40689488 +1 0.3290 H( 3311 HOH 345) 40.85664939 +1 -2.25886450 +1 51.49959114 +1 0.3182 H( 3312 HOH 345) 39.33300421 +1 -2.11811435 +1 51.38512836 +1 0.3324 H( 3313 HOH 346) 14.88416428 +1 -34.61492860 +1 62.57575320 +1 0.3390 H( 3314 HOH 346) 14.50339477 +1 -34.24911260 +1 61.11924282 +1 0.3346 H( 3315 HOH 347) 32.50636570 +1 -32.25916405 +1 60.77136621 +1 0.3514 H( 3316 HOH 347) 32.26021884 +1 -33.78782130 +1 60.75999857 +1 0.3165 H( 3317 HOH 348) 40.54035915 +1 -7.58535415 +1 70.86225308 +1 0.3364 H( 3318 HOH 348) 39.48866095 +1 -8.62024680 +1 71.32161392 +1 0.3327 H( 3319 HOH 349) 14.71001067 +1 1.79611199 +1 62.29545709 +1 0.3337 H( 3320 HOH 349) 14.61295820 +1 2.14617599 +1 63.78132517 +1 0.3211 H( 3321 HOH 350) 22.13403099 +1 -34.89050688 +1 48.04899164 +1 0.3278 H( 3322 HOH 350) 21.73235343 +1 -35.32133099 +1 49.49374207 +1 0.3503 H( 3323 HOH 351) 16.30838829 +1 0.36376373 +1 63.44161904 +1 0.3324 H( 3324 HOH 351) 14.88592330 +1 -0.21886223 +1 63.40405757 +1 0.3284 H( 3325 HOH 352) 48.39281893 +1 -6.40576948 +1 58.84906109 +1 0.3278 H( 3326 HOH 352) 47.15443803 +1 -6.61704982 +1 57.93781944 +1 0.3405 H( 3327 HOH 353) 15.59563606 +1 -11.01830326 +1 71.41906911 +1 0.3355 H( 3328 HOH 353) 15.01736413 +1 -9.59003508 +1 71.45191279 +1 0.3595 H( 3329 HOH 354) 33.98810862 +1 0.85686160 +1 61.70016884 +1 0.3200 H( 3330 HOH 354) 35.50505339 +1 1.14048000 +1 61.75474798 +1 0.3410 H( 3331 HOH 355) 28.74458771 +1 -4.36485608 +1 48.48976923 +1 0.3475 H( 3332 HOH 355) 27.41318585 +1 -3.60792274 +1 48.77976281 +1 0.3573 H( 3333 HOH 356) 21.20537321 +1 -18.15523141 +1 76.30996405 +1 0.3156 H( 3334 HOH 356) 20.28309397 +1 -17.62581046 +1 75.20669557 +1 0.3173 H( 3335 HOH 357) 35.88668615 +1 -19.48735444 +1 45.52821616 +1 0.3436 H( 3336 HOH 357) 34.45523285 +1 -20.12900877 +1 45.40057418 +1 0.3576 H( 3337 HOH 358) 48.90684172 +1 -10.55635815 +1 65.58645668 +1 0.3336 H( 3338 HOH 358) 48.32329248 +1 -11.62033012 +1 66.52978918 +1 0.3313 H( 3339 HOH 359) 16.58978555 +1 -17.72235395 +1 71.13621334 +1 0.3381 H( 3340 HOH 359) 15.96329928 +1 -18.17707415 +1 72.46178021 +1 0.3139 H( 3341 HOH 360) 43.19725823 +1 -22.91573454 +1 48.98196412 +1 0.3326 H( 3342 HOH 360) 44.00506338 +1 -23.26121808 +1 50.25397686 +1 0.3292 H( 3343 HOH 361) 15.15169843 +1 -23.94250693 +1 62.64393782 +1 0.3402 H( 3344 HOH 361) 14.21112053 +1 -23.75387476 +1 63.87153723 +1 0.3426 H( 3345 HOH 362) 37.90434178 +1 -1.09729080 +1 53.46776775 +1 0.3300 H( 3346 HOH 362) 36.61072706 +1 -1.31403079 +1 54.28545149 +1 0.3287 H( 3347 HOH 363) 19.78065704 +1 -25.98872123 +1 43.26020729 +1 0.3279 H( 3348 HOH 363) 20.49065440 +1 -25.01425013 +1 42.32660071 +1 0.3446 H( 3349 HOH 364) 25.42369854 +1 -4.61355285 +1 51.19979800 +1 0.3323 H( 3350 HOH 364) 26.28088870 +1 -5.87392913 +1 50.96306592 +1 0.3241 H( 3351 HOH 365) 22.65309630 +1 -2.46668129 +1 51.12132029 +1 0.3280 H( 3352 HOH 365) 21.68600220 +1 -2.17641361 +1 52.31424262 +1 0.3670 H( 3353 HOH 366) 26.27474334 +1 -32.87029935 +1 44.04049569 +1 0.3455 H( 3354 HOH 366) 26.00358216 +1 -34.13906834 +1 43.19551190 +1 0.3232 H( 3355 HOH 367) 22.51494814 +1 -13.96020208 +1 43.91141533 +1 0.3362 H( 3356 HOH 367) 20.98375712 +1 -14.12953100 +1 43.84975891 +1 0.3291 H( 3357 HOH 368) 10.47316904 +1 -21.81302047 +1 59.09000477 +1 0.3594 H( 3358 HOH 368) 8.90727389 +1 -21.88554661 +1 59.22522047 +1 0.3382 H( 3359 HOH 369) 29.09146511 +1 -36.71592874 +1 60.65647978 +1 0.3230 H( 3360 HOH 369) 27.79862218 +1 -37.25648078 +1 61.27760637 +1 0.3203 H( 3361 HOH 370) 24.79513412 +1 6.73101465 +1 62.15819031 +1 0.3176 H( 3362 HOH 370) 24.80417075 +1 5.20012112 +1 61.98207538 +1 0.3466 H( 3363 HOH 371) 43.40289431 +1 -10.87638465 +1 46.08797602 +1 0.3136 H( 3364 HOH 371) 42.32534627 +1 -9.78708700 +1 46.16231250 +1 0.3270 H( 3365 HOH 372) 24.04061085 +1 -35.29803029 +1 58.79960209 +1 0.3144 H( 3366 HOH 372) 23.74953203 +1 -36.70633669 +1 58.28144077 +1 0.3320 H( 3367 HOH 373) 33.81962787 +1 -38.84749673 +1 51.52883503 +1 0.3182 H( 3368 HOH 373) 33.43271847 +1 -37.45571468 +1 52.06622826 +1 0.3299 H( 3369 HOH 374) 29.77895207 +1 -33.11425902 +1 42.33894425 +1 0.3268 H( 3370 HOH 374) 28.34327505 +1 -32.91883681 +1 42.87876038 +1 0.3346 H( 3371 HOH 375) 37.42318550 +1 -3.70641037 +1 43.27135172 +1 0.3250 H( 3372 HOH 375) 36.23352131 +1 -3.90643517 +1 44.23615509 +1 0.3242 H( 3373 HOH 376) 16.14851807 +1 -8.16979404 +1 73.29936721 +1 0.3356 H( 3374 HOH 376) 15.52552074 +1 -7.41061004 +1 72.09030448 +1 0.3440 H( 3375 HOH 377) 16.07394818 +1 -7.03378683 +1 52.26534774 +1 0.3217 H( 3376 HOH 377) 16.01324920 +1 -7.69396215 +1 53.65224632 +1 0.3339 H( 3377 HOH 378) 16.67555032 +1 -25.72045815 +1 64.47601708 +1 0.3396 H( 3378 HOH 378) 15.47384901 +1 -26.43086278 +1 65.12080511 +1 0.3166 H( 3379 HOH 379) 20.37104278 +1 -33.20647803 +1 63.54020836 +1 0.3375 H( 3380 HOH 379) 19.38170942 +1 -32.73492878 +1 64.63332148 +1 0.3236 H( 3381 HOH 380) 18.68199720 +1 -19.58605917 +1 68.56821217 +1 0.3491 H( 3382 HOH 380) 17.98000263 +1 -20.92228423 +1 68.89732064 +1 0.3325 H( 3383 HOH 381) 37.06903439 +1 2.58773841 +1 62.51327835 +1 0.3427 H( 3384 HOH 381) 37.37322229 +1 3.21464142 +1 61.13392037 +1 0.3210 H( 3385 HOH 382) 30.93178745 +1 -38.59304791 +1 54.55383055 +1 0.3259 H( 3386 HOH 382) 30.03542424 +1 -37.78909728 +1 53.59048421 +1 0.3342 H( 3387 HOH 383) 25.10373673 +1 -2.23858672 +1 77.29160463 +1 0.3412 H( 3388 HOH 383) 24.05320686 +1 -2.94486809 +1 78.16759378 +1 0.3298 H( 3389 HOH 384) 36.79698772 +1 -23.52379278 +1 69.97491964 +1 0.3221 H( 3390 HOH 384) 35.74623103 +1 -22.45851169 +1 70.40183133 +1 0.3539 H( 3391 HOH 385) 20.58986442 +1 -21.66996046 +1 68.17115205 +1 0.3553 H( 3392 HOH 385) 20.14059675 +1 -22.24185422 +1 69.53287225 +1 0.3273 H( 3393 HOH 386) 23.70570494 +1 -33.33388913 +1 66.04127236 +1 0.3321 H( 3394 HOH 386) 23.70070526 +1 -34.84478843 +1 65.68292832 +1 0.3440 H( 3395 HOH 387) 36.04045653 +1 -36.39300174 +1 56.54715476 +1 0.3193 H( 3396 HOH 387) 35.54664361 +1 -34.93218837 +1 56.47831428 +1 0.3459 H( 3397 HOH 388) 27.09777899 +1 -6.37991755 +1 77.42950985 +1 0.3284 H( 3398 HOH 388) 25.55061222 +1 -6.25956485 +1 77.38226728 +1 0.3402 H( 3399 HOH 389) 52.43119277 +1 -8.82641304 +1 58.39768583 +1 0.3311 H( 3400 HOH 389) 50.96977061 +1 -8.63945671 +1 57.97245430 +1 0.3211 H( 3401 HOH 390) 20.04263151 +1 -0.66282162 +1 62.43136075 +1 0.3301 H( 3402 HOH 390) 19.67340599 +1 -0.14433247 +1 63.84727014 +1 0.3570 H( 3403 HOH 391) 33.38799474 +1 -6.35098531 +1 46.09354688 +1 0.3450 H( 3404 HOH 391) 33.80646340 +1 -6.63890359 +1 44.63839475 +1 0.3371 H( 3405 HOH 392) 50.42608503 +1 -11.65540811 +1 63.74322029 +1 0.3103 H( 3406 HOH 392) 49.74869546 +1 -12.52293086 +1 64.80780462 +1 0.3441 H( 3407 HOH 393) 41.84476429 +1 -9.20014624 +1 71.15356418 +1 0.3431 H( 3408 HOH 393) 41.92626831 +1 -9.03858702 +1 69.61784625 +1 0.3356 H( 3409 HOH 394) 12.18290220 +1 -27.50696494 +1 54.90082034 +1 0.3256 H( 3410 HOH 394) 11.49484557 +1 -28.57486814 +1 54.03406655 +1 0.3237 H( 3411 HOH 395) 37.64266265 +1 -0.40656955 +1 44.86774731 +1 0.3187 H( 3412 HOH 395) 36.55922041 +1 -1.37539235 +1 44.35998992 +1 0.3382 H( 3413 HOH 396) 14.10001714 +1 -10.69308282 +1 51.01168875 +1 0.3244 H( 3414 HOH 396) 13.06621723 +1 -10.10696361 +1 51.98767617 +1 0.3238 H( 3415 HOH 397) 17.43434776 +1 -13.46332163 +1 50.73154928 +1 0.3330 H( 3416 HOH 397) 16.85363604 +1 -14.89218235 +1 50.71236616 +1 0.3393 H( 3417 HOH 398) 49.90739980 +1 -17.22317025 +1 58.01063961 +1 0.3116 H( 3418 HOH 398) 50.93623860 +1 -18.25977290 +1 58.49059046 +1 0.3365 H( 3419 HOH 399) 15.53625659 +1 -2.48009377 +1 60.68575027 +1 0.3290 H( 3420 HOH 399) 15.60764233 +1 -3.99176666 +1 60.93847806 +1 0.3324 H( 3421 HOH 400) 33.24586493 +1 -8.27441005 +1 73.37505033 +1 0.3354 H( 3422 HOH 400) 34.13636988 +1 -9.41578336 +1 72.85445835 +1 0.3284 H( 3423 HOH 401) 20.98824605 +1 -9.66069876 +1 46.30066114 +1 0.3288 H( 3424 HOH 401) 19.90554093 +1 -9.69002399 +1 47.40023256 +1 0.3240 H( 3425 HOH 402) 9.46374949 +1 -13.92003374 +1 56.61198742 +1 0.3085 H( 3426 HOH 402) 7.97622070 +1 -13.72811577 +1 56.29556327 +1 0.3299 H( 3427 HOH 403) 9.69472245 +1 -17.34088413 +1 63.24729200 +1 0.3203 H( 3428 HOH 403) 8.80204102 +1 -16.91624328 +1 62.05657706 +1 0.3289 H( 3429 HOH 404) 35.94379735 +1 -33.96655022 +1 52.19586587 +1 0.3449 H( 3430 HOH 404) 36.00088588 +1 -34.36962878 +1 50.70192566 +1 0.3345 H( 3431 HOH 405) 38.28365848 +1 -31.36184251 +1 51.47541908 +1 0.3294 H( 3432 HOH 405) 36.93392147 +1 -31.97622065 +1 51.03963640 +1 0.3463 H( 3433 HOH 406) 12.85202254 +1 -21.74527142 +1 58.97349283 +1 0.3503 H( 3434 HOH 406) 12.54293756 +1 -22.53987443 +1 60.28024082 +1 0.3444 H( 3435 O ) 25.18259727 +1 -39.33738574 +1 49.24017569 +1 0.3246 H( 3436 HOH 407) 5.40179637 +1 -10.34544443 +1 56.70732963 +1 0.3269 H( 3437 HOH 407) 6.81266950 +1 -10.18860023 +1 56.08969444 +1 0.3095 H( 3438 HOH 408) 32.99969179 +1 -33.07612361 +1 40.79028012 +1 0.3173 H( 3439 HOH 408) 32.19431027 +1 -33.45618813 +1 39.54263302 +1 0.3184 H( 3440 HOH 409) 15.87882686 +1 -9.76701453 +1 50.73579353 +1 0.3418 H( 3441 HOH 409) 16.75898582 +1 -10.16401638 +1 49.54078551 +1 0.3287 H( 3442 HOH 410) 45.09685425 +1 -4.77474720 +1 45.13260345 +1 0.3339 H( 3443 HOH 410) 45.41952040 +1 -5.74051220 +1 46.29964210 +1 0.3236 H( 3444 HOH 411) 43.08573520 +1 0.08657023 +1 58.25411915 +1 0.3282 H( 3445 HOH 411) 42.89905803 +1 1.46495222 +1 57.60759523 +1 0.3163 H( 3446 HOH 412) 28.62217139 +1 -35.93831595 +1 66.72107852 +1 0.3240 H( 3447 HOH 412) 28.34666990 +1 -36.99191262 +1 67.80998510 +1 0.3245 H( 3448 HOH 413) 45.02350411 +1 -6.57481629 +1 49.77998191 +1 0.3490 H( 3449 HOH 413) 44.10934919 +1 -6.39171669 +1 51.06237477 +1 0.3808 H( 3450 HOH 414) 17.17547251 +1 -32.44749357 +1 68.90164231 +1 0.3307 H( 3451 HOH 414) 16.21393348 +1 -31.29858875 +1 69.30095030 +1 0.3324 H( 3452 HOH 415) 43.17863606 +1 -6.92651739 +1 42.97812336 +1 0.3365 H( 3453 HOH 415) 44.06175008 +1 -8.16706860 +1 42.77939560 +1 0.3280 H( 3454 HOH 416) 14.27327099 +1 -22.13133459 +1 66.33789828 +1 0.3351 H( 3455 HOH 416) 14.69122175 +1 -23.57818542 +1 66.00970175 +1 0.3279 H( 3456 HOH 417) 36.39731115 +1 0.72697978 +1 67.39335488 +1 0.3247 H( 3457 HOH 417) 35.71266957 +1 -0.33945332 +1 66.50299253 +1 0.3538 H( 3458 HOH 418) 48.14968665 +1 -10.29301337 +1 52.12592508 +1 0.3165 H( 3459 HOH 418) 47.77838212 +1 -11.78043287 +1 52.03165178 +1 0.3316 H( 3460 HOH 419) 30.24840123 +1 -7.68268522 +1 75.81760998 +1 0.3359 H( 3461 HOH 419) 29.27619474 +1 -8.73352023 +1 75.25035841 +1 0.3305 H( 3462 HOH 420) 53.83543867 +1 -2.00484588 +1 66.30527155 +1 0.3284 H( 3463 HOH 420) 52.74918817 +1 -2.36356528 +1 65.26914440 +1 0.3040 H( 3464 HOH 421) 46.96421433 +1 -3.43395960 +1 70.89848961 +1 0.3242 H( 3465 HOH 421) 45.79423686 +1 -4.22796521 +1 70.24563781 +1 0.3424 H( 3466 HOH 422) 40.75314471 +1 -2.78163645 +1 40.99057283 +1 0.3137 H( 3467 HOH 422) 40.64021384 +1 -3.62945608 +1 42.26371169 +1 0.3163 H( 3468 HOH 423) 56.42073059 +1 -2.18144348 +1 65.54883466 +1 0.2769 H( 3469 HOH 423) 55.45805811 +1 -2.54728862 +1 64.40873898 +1 0.3192 H( 3470 HOH 424) 53.23946588 +1 0.19548586 +1 63.23636722 +1 0.3189 H( 3471 HOH 424) 52.12721285 +1 -0.33756198 +1 62.33094944 +1 0.3126 H( 3472 HOH 425) 15.31560484 +1 -15.03248409 +1 43.73848604 +1 0.3155 H( 3473 HOH 425) 14.56126356 +1 -16.04739730 +1 44.60089075 +1 0.3139 H( 3474 HOH 426) 25.67537914 +1 -40.77862705 +1 45.64651748 +1 0.3343 H( 3475 HOH 426) 24.77099141 +1 -41.43038479 +1 46.71501477 +1 0.3221 H( 3476 O ) 35.00969279 +1 -15.51199335 +1 44.94872415 +1 0.2635 H( 3477 HOH 427) 43.16135149 +1 -5.17783262 +1 67.44001945 +1 0.3364 H( 3478 HOH 427) 41.79286282 +1 -4.51022847 +1 67.62942506 +1 0.3412 H( 3479 HOH 428) 37.78716591 +1 -6.29431729 +1 46.17382972 +1 0.3153 H( 3480 HOH 428) 37.45039118 +1 -4.93798953 +1 45.54287999 +1 0.3305 H( 3481 HOH 429) 47.54334854 +1 0.88840036 +1 57.40487270 +1 0.3274 H( 3482 HOH 429) 47.35425446 +1 0.76614125 +1 55.88650706 +1 0.3183 H( 3483 O ) 24.44746291 +1 -41.27053493 +1 50.95900681 +1 0.3000 H( 3484 HOH 430) 45.13919509 +1 -2.63875245 +1 72.13310248 +1 0.3260 H( 3485 HOH 430) 45.47500545 +1 -3.79417208 +1 73.09967463 +1 0.3110 H( 3486 HOH 431) 14.96577694 +1 -8.12350556 +1 46.26668405 +1 0.3126 H( 3487 HOH 431) 14.45224410 +1 -9.03948424 +1 47.38072897 +1 0.3174 H( 3488 HOH 432) 25.86391129 +1 -36.24941712 +1 66.45897363 +1 0.3390 H( 3489 HOH 432) 24.89300411 +1 -36.84236699 +1 65.42361765 +1 0.3241 H( 3490 HOH 433) 35.22866048 +1 -19.34924843 +1 76.65712003 +1 0.3287 H( 3491 HOH 433) 35.72801286 +1 -20.79458610 +1 76.82210047 +1 0.3187 H( 3492 HOH 434) 44.68100465 +1 -3.15432088 +1 42.72298982 +1 0.3165 H( 3493 HOH 434) 43.62772473 +1 -2.80978685 +1 43.78234950 +1 0.3194 H( 3494 HOH 435) 45.06132603 +1 -2.89366169 +1 68.00525697 +1 0.3278 H( 3495 HOH 435) 46.55606804 +1 -3.19919268 +1 68.27633145 +1 0.3322 H( 3496 HOH 436) 10.64463751 +1 -28.00972412 +1 58.99882527 +1 0.3158 H( 3497 HOH 436) 9.25434554 +1 -27.73455875 +1 59.58146058 +1 0.3154 H( 3498 HOH 437) 44.97478943 +1 -2.09203281 +1 69.77101758 +1 0.3382 H( 3499 HOH 437) 43.49844476 +1 -1.95207996 +1 69.31846328 +1 0.3177 H( 3500 HOH 438) 8.34226039 +1 1.10115213 +1 66.80096669 +1 0.3148 H( 3501 HOH 438) 6.91881437 +1 0.76168323 +1 67.25457715 +1 0.3091 H( 3502 HOH 439) 9.55298512 +1 -11.18206204 +1 52.67202815 +1 0.3156 H( 3503 HOH 439) 9.23191468 +1 -11.56403902 +1 54.12123644 +1 0.3194 H( 3504 HOH 440) 52.82297399 +1 -3.78852405 +1 62.58459740 +1 0.3178 H( 3505 HOH 440) 51.53597229 +1 -4.22703041 +1 61.89203153 +1 0.3341 H( 3506 HOH 441) 31.96194440 +1 -4.58900817 +1 44.82880233 +1 0.3298 H( 3507 HOH 441) 31.28174581 +1 -5.95987764 +1 44.72996719 +1 0.3305 H( 3508 HOH 442) 22.48931067 +1 -33.98464218 +1 69.06874694 +1 0.3188 H( 3509 HOH 442) 23.53052623 +1 -35.11205517 +1 69.11541793 +1 0.3243 H( 3510 HOH 443) 47.62350231 +1 -8.48276106 +1 70.33367961 +1 0.3305 H( 3511 HOH 443) 46.61851301 +1 -7.44039684 +1 69.80049800 +1 0.3348 H( 3512 HOH 444) 52.57470210 +1 -4.37528226 +1 59.35515448 +1 0.3225 H( 3513 HOH 444) 52.30628066 +1 -5.76377670 +1 59.96333896 +1 0.3346 H( 3514 HOH 445) 52.70286506 +1 -4.26033731 +1 65.96836009 +1 0.3235 H( 3515 HOH 445) 51.52422528 +1 -4.10709676 +1 64.98531051 +1 0.3300 H( 3516 HOH 446) 42.41573194 +1 -5.76385400 +1 45.57771325 +1 0.3293 H( 3517 HOH 446) 40.90564416 +1 -5.44097279 +1 45.44079877 +1 0.3368 H( 3518 HOH 447) 28.02683999 +1 -44.82939101 +1 47.50070814 +1 0.3427 H( 3519 HOH 447) 26.70822258 +1 -44.10190862 +1 47.86205076 +1 0.3247 H( 3520 HOH 448) 53.13070953 +1 -11.11830057 +1 57.27539677 +1 0.3278 H( 3521 HOH 448) 52.42118257 +1 -11.18194013 +1 58.64452103 +1 0.3384 H( 3522 HOH 449) 50.66173447 +1 2.36798255 +1 56.92767256 +1 0.3114 H( 3523 HOH 449) 49.24601529 +1 2.13324186 +1 56.37811992 +1 0.3325 H( 3524 HOH 450) 47.30010541 +1 4.73184301 +1 60.91637396 +1 0.3375 H( 3525 HOH 450) 45.99994930 +1 3.89051363 +1 60.81581353 +1 0.3147 H( 3526 HOH 451) 20.79910315 +1 -1.65209402 +1 50.19074665 +1 0.3554 H( 3527 HOH 451) 19.94166111 +1 -2.86079847 +1 49.72461672 +1 0.3175 H( 3528 HOH 452) 45.03083497 +1 -4.17885986 +1 50.64192785 +1 0.3591 H( 3529 HOH 452) 44.19495359 +1 -3.96992350 +1 49.34793506 +1 0.3357 H( 3530 HOH 453) 51.00612671 +1 6.70427656 +1 55.71093829 +1 0.3108 H( 3531 HOH 453) 50.30884875 +1 5.50431769 +1 55.06730472 +1 0.3188 H( 3532 O ) 6.52329399 +1 -11.81495699 +1 58.11015865 +1 0.3079 H( 3533 HOH 454) 17.64584693 +1 -24.69123635 +1 68.48743234 +1 0.3379 H( 3534 HOH 454) 16.19667346 +1 -24.61294735 +1 69.02649485 +1 0.3110 H( 3535 HOH 455) 48.61196651 +1 4.88021813 +1 59.09193260 +1 0.3224 H( 3536 HOH 455) 47.34974908 +1 5.74658532 +1 59.05769075 +1 0.3257 H( 3537 HOH 456) 27.43084429 +1 -38.66485769 +1 49.16137091 +1 0.3204 H( 3538 HOH 456) 26.76570018 +1 -38.88396172 +1 47.79085118 +1 0.3329 H( 3539 HOH 457) 42.81768932 +1 1.92292088 +1 60.25445955 +1 0.3233 H( 3540 HOH 457) 42.16628860 +1 1.36905646 +1 61.53050927 +1 0.3176 H( 3541 HOH 458) 42.22017317 +1 -8.15216608 +1 40.91600732 +1 0.3229 H( 3542 HOH 458) 43.34617146 +1 -7.82753574 +1 39.94857338 +1 0.3171 H( 3543 HOH 459) 12.23588484 +1 -13.74835865 +1 50.93118281 +1 0.3199 H( 3544 HOH 459) 10.81410837 +1 -13.76678767 +1 50.35456520 +1 0.3168 H( 3545 HOH 460) 28.33474879 +1 -40.98667678 +1 45.74528811 +1 0.3148 H( 3546 HOH 460) 27.27161547 +1 -41.56186977 +1 46.71215016 +1 0.3511 H( 3547 HOH 461) 30.25052845 +1 -45.98851631 +1 47.00834701 +1 0.3241 H( 3548 HOH 461) 29.39756332 +1 -47.24430927 +1 46.77437426 +1 0.3194 H( 3549 HOH 462) 46.53209082 +1 -7.74020856 +1 48.03042709 +1 0.3250 H( 3550 HOH 462) 45.04857875 +1 -7.80817658 +1 47.62921129 +1 0.3313