SUMMARY OF PM6 CALCULATION, Site No: 13048 MOPAC2012 (Version: 12.112M) Fri May 4 10:28:00 2012 No. of days left = 353 Empirical Formula: C569 H1058 N159 O278 P S = 2066 atoms START_RES(2) SETUP LET GNORM=10 PM6 LET XYZ PDBOUT PL MOZYME NOOPT OPT-H Barnase_(1RNB) HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -15023.58353 KCAL/MOL = -62858.67348 KJ/MOL TOTAL ENERGY = -194158.72238 EV ELECTRONIC ENERGY = -17068818.45565 EV CORE-CORE REPULSION = 16874659.73328 EV GRADIENT NORM = 8.47000 DIPOLE = 72.10948 DEBYE NO. OF FILLED LEVELS = 2904 MOLECULAR WEIGHT = 14638.549 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 589 O 976 44.09294 O 1969 H 1776 39.12214 H 481 H 1497 29.64208 SCF CALCULATIONS = 7 COMPUTATION TIME = 19 MINUTES AND 22.590 SECONDS FINAL GEOMETRY OBTAINED CHARGE *HEADER ENDONUCLEASE 19-MAR-91 1RNB *TITLE CRYSTAL STRUCTURE OF A BARNASE-D(*GP*C) COMPLEX AT 1.9 *TITLE 2 ANGSTROMS RESOLUTION *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: DNA (5'-D(*GP*C)-3'); *COMPND 3 CHAIN: C; *COMPND 4 EC: 3.1.27.-; *COMPND 5 ENGINEERED: YES; *COMPND 6 MOL_ID: 2; *COMPND 7 MOLECULE: BARNASE; *COMPND 8 CHAIN: A; *COMPND 9 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 MOL_ID: 2; *SOURCE 4 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS *KEYWDS ENDONUCLEASE *EXPDTA X-RAY DIFFRACTION *AUTHOR J.JANIN,S.BAUDET *REVDAT 3 01-APR-03 1RNB 1 JRNL *REVDAT 2 31-JUL-94 1RNB 1 HEADER COMPND *REVDAT 1 15-JUL-92 1RNB 0 *JRNL AUTH S.BAUDET,J.JANIN *JRNL TITL CRYSTAL STRUCTURE OF A BARNASE-D(GPC) COMPLEX AT *JRNL TITL 2 1.9 A RESOLUTION. *JRNL REF J.MOL.BIOL. V. 219 123 1991 *JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 *REMARK 1 *REMARK 1 REFERENCE 1 *REMARK 1 AUTH Y.MAUGUEN,R.W.HARTLEY,E.J.DODSON,G.G.DODSON, *REMARK 1 AUTH 2 G.BRICOGNE,C.CHOTHIA,A.JACK *REMARK 1 TITL MOLECULAR STRUCTURES OF A NEW FAMILY OF *REMARK 1 TITL 2 RIBONUCLEASES *REMARK 1 REF NATURE V. 297 162 1982 *REMARK 1 REFN ASTM NATUAS UK ISSN 0028-0836 *REMARK 2 *REMARK 2 RESOLUTION. 1.90 ANGSTROMS. *REMARK 3 *REMARK 3 REFINEMENT. *REMARK 3 PROGRAM : PROLSQ *REMARK 3 AUTHORS : KONNERT,HENDRICKSON *REMARK 3 *REMARK 3 DATA USED IN REFINEMENT. *REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.90 *REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : NULL *REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL *REMARK 3 COMPLETENESS FOR RANGE (%) : NULL *REMARK 3 NUMBER OF REFLECTIONS : NULL *REMARK 3 *REMARK 3 FIT TO DATA USED IN REFINEMENT. *REMARK 3 CROSS-VALIDATION METHOD : NULL *REMARK 3 FREE R VALUE TEST SET SELECTION : NULL *REMARK 3 R VALUE (WORKING + TEST SET) : NULL *REMARK 3 R VALUE (WORKING SET) : 0.214 *REMARK 3 FREE R VALUE : NULL *REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL *REMARK 3 FREE R VALUE TEST SET COUNT : NULL *REMARK 3 *REMARK 3 FIT/AGREEMENT OF MODEL WITH ALL DATA. *REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL *REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : NULL *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 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. *REMARK 3 PROTEIN ATOMS : 869 *REMARK 3 NUCLEIC ACID ATOMS : 38 *REMARK 3 HETEROGEN ATOMS : 5 *REMARK 3 SOLVENT ATOMS : 96 *REMARK 3 *REMARK 3 B VALUES. *REMARK 3 FROM WILSON PLOT (A**2) : NULL *REMARK 3 MEAN B VALUE (OVERALL, A**2) : NULL *REMARK 3 OVERALL ANISOTROPIC B VALUE. *REMARK 3 B11 (A**2) : NULL *REMARK 3 B22 (A**2) : NULL *REMARK 3 B33 (A**2) : NULL *REMARK 3 B12 (A**2) : NULL *REMARK 3 B13 (A**2) : NULL *REMARK 3 B23 (A**2) : NULL *REMARK 3 *REMARK 3 ESTIMATED COORDINATE ERROR. *REMARK 3 ESD FROM LUZZATI PLOT (A) : NULL *REMARK 3 ESD FROM SIGMAA (A) : NULL *REMARK 3 LOW RESOLUTION CUTOFF (A) : NULL *REMARK 3 *REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. *REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA *REMARK 3 BOND LENGTH (A) : NULL ; NULL *REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL *REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL *REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL *REMARK 3 *REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL *REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL *REMARK 3 *REMARK 3 NON-BONDED CONTACT RESTRAINTS. *REMARK 3 SINGLE TORSION (A) : NULL ; NULL *REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL *REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL *REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL *REMARK 3 *REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. *REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL *REMARK 3 PLANAR (DEGREES) : NULL ; NULL *REMARK 3 STAGGERED (DEGREES) : NULL ; NULL *REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL *REMARK 3 *REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA *REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL *REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL *REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL *REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL *REMARK 3 *REMARK 3 OTHER REFINEMENT REMARKS: NULL *REMARK 4 *REMARK 4 1RNB 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 : NULL *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 (%) : NULL *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: NULL *REMARK 200 STARTING MODEL: NULL *REMARK 200 *REMARK 200 REMARK: NULL *REMARK 280 *REMARK 280 CRYSTAL *REMARK 280 SOLVENT CONTENT, VS (%): 61.36 *REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.18 *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 28.45667 *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 56.91333 *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 56.91333 *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 28.45667 *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 2 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: C, 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 465 *REMARK 465 MISSING RESIDUES *REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE *REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN *REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) *REMARK 465 *REMARK 465 M RES C SSSEQI *REMARK 465 ALA A 1 *REMARK 470 *REMARK 470 MISSING ATOM *REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER; *REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; *REMARK 470 I=INSERTION CODE): *REMARK 470 M RES CSSEQI ATOMS *REMARK 470 GLN A 2 CG CD OE1 NE2 *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 OD1 ASP A 8 O HOH 329 2.01 *REMARK 500 NE ARG A 72 O HOH 212 2.12 *REMARK 500 O SER A 57 NH2 ARG A 59 2.13 *REMARK 500 O4 SO4 150 O HOH 257 2.14 *REMARK 500 O ILE A 55 O HOH 305 2.15 *REMARK 500 N ILE A 96 O ARG A 110 2.18 *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 240 O HOH 263 5666 2.07 *REMARK 500 O4 SO4 150 O HOH 273 5666 2.18 *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 GLN A 104 CB - CG - CD ANGL. DEV. = 27.6 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 331 DISTANCE = 5.01 ANGSTROMS *DBREF 1RNB A 1 110 UNP P00648 RNBR_BACAM 48 157 *SEQADV 1RNB ASN A 22 UNP P00648 ASP 69 CONFLICT *SEQADV 1RNB ASP A 23 UNP P00648 ASN 70 CONFLICT *SEQRES 1 C 2 DG DC *SEQRES 1 A 110 ALA GLN VAL ILE ASN THR PHE ASP GLY VAL ALA ASP TYR *SEQRES 2 A 110 LEU GLN THR TYR HIS LYS LEU PRO ASN ASP TYR ILE THR *SEQRES 3 A 110 LYS SER GLU ALA GLN ALA LEU GLY TRP VAL ALA SER LYS *SEQRES 4 A 110 GLY ASN LEU ALA ASP VAL ALA PRO GLY LYS SER ILE GLY *SEQRES 5 A 110 GLY ASP ILE PHE SER ASN ARG GLU GLY LYS LEU PRO GLY *SEQRES 6 A 110 LYS SER GLY ARG THR TRP ARG GLU ALA ASP ILE ASN TYR *SEQRES 7 A 110 THR SER GLY PHE ARG ASN SER ASP ARG ILE LEU TYR SER *SEQRES 8 A 110 SER ASP TRP LEU ILE TYR LYS THR THR ASP HIS TYR GLN *SEQRES 9 A 110 THR PHE THR LYS ILE ARG *FTNOTE 1 THE SIDE CHAINS OF RESIDUES 2, 59, 60, AND 62 HAVE NO *FTNOTE 1 DENSITY. *HET SO4 150 5 *HETNAM SO4 SULFATE ION *FORMUL 3 SO4 O4 S 2- *FORMUL 4 HOH *96(H2 O) *HELIX 1 1 THR A 6 HIS A 18 1 13 *HELIX 2 2 THR A 26 LEU A 33 1 8 *HELIX 3 3 VAL A 36 GLY A 40 5 5 *HELIX 4 4 ASN A 41 ALA A 46 1 6 *SHEET 1 A 6 TYR A 24 ILE A 25 0 *SHEET 2 A 6 SER A 50 PHE A 56 1 O SER A 50 N ILE A 25 *SHEET 3 A 6 TRP A 71 ASP A 75 -1 O TRP A 71 N PHE A 56 *SHEET 4 A 6 ARG A 87 SER A 91 -1 N ILE A 88 O ALA A 74 *SHEET 5 A 6 ILE A 96 THR A 99 -1 N TYR A 97 O LEU A 89 *SHEET 6 A 6 THR A 107 ARG A 110 -1 O THR A 107 N LYS A 98 *CRYST1 57.970 57.970 85.370 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 0.017250 0.009960 0.000000 0.00000 *SCALE2 0.000000 0.019919 0.000000 0.00000 *SCALE3 0.000000 0.000000 0.011714 0.00000 START_RES(2) SETUP LET GNORM=10 PM6 LET XYZ PDBOUT PL MOZYME NOOPT OPT-H Barnase_(1RNB) N( 1 ALA* 2) -19.37500000 +0 -13.52900000 +0 8.46200000 +0 -0.5351 C( 2 ALA* 2) -18.18800000 +0 -13.62200000 +0 9.35500000 +0 -0.0427 C( 3 ALA* 2) -17.08700000 +0 -12.73200000 +0 8.73500000 +0 0.5825 O( 4 ALA* 2) -15.96700000 +0 -13.13500000 +0 8.46200000 +0 -0.5834 C( 5 ALA 2) -17.66300000 +0 -15.04200000 +0 9.55400000 +0 -0.5179 H( 6 ALA* 2) -18.46113952 +1 -13.18321021 +1 10.35511279 +1 0.1612 H( 7 ALA 2) -16.76239204 +1 -15.04629983 +1 10.18543702 +1 0.1795 H( 8 ALA 2) -18.40607897 +1 -15.68902720 +1 10.03141629 +1 0.1605 H( 9 ALA 2) -17.36175862 +1 -15.50745835 +1 8.60557261 +1 0.1735 H( 10 ALA* 2) -20.19826383 +1 -13.90381171 +1 8.92671341 +1 0.2225 H( 11 ALA* 2) -19.23693173 +1 -14.08135771 +1 7.61825512 +1 0.2204 N( 12 VAL* 3) -17.43100000 +0 -11.37900000 +0 8.61800000 +0 -0.4810 C( 13 VAL* 3) -16.52899900 +0 -10.44600000 +0 7.90100000 +0 -0.0858 C( 14 VAL* 3) -16.41500100 +0 -9.19000000 +0 8.79000000 +0 0.5809 O( 15 VAL* 3) -16.91600000 +0 -8.10200000 +0 8.50600000 +0 -0.6327 C( 16 VAL 3) -17.05400100 +0 -10.07900000 +0 6.48200000 +0 0.0037 C( 17 VAL 3) -17.36800000 +0 -11.34900000 +0 5.68600000 +0 -0.5035 C( 18 VAL 3) -16.01700000 +0 -9.22200000 +0 5.75400000 +0 -0.5088 H( 19 VAL* 3) -15.50378339 +1 -10.91889244 +1 7.80136927 +1 0.2000 H( 20 VAL 3) -17.99098281 +1 -9.47667827 +1 6.59829012 +1 0.1361 H( 21 VAL 3) -16.51489314 +1 -12.03865471 +1 5.66722114 +1 0.1636 H( 22 VAL 3) -18.22304511 +1 -11.89311644 +1 6.10209219 +1 0.1553 H( 23 VAL 3) -17.61627200 +1 -11.10914576 +1 4.64640931 +1 0.1558 H( 24 VAL 3) -15.84186950 +1 -8.26791601 +1 6.27898364 +1 0.1817 H( 25 VAL 3) -15.05436926 +1 -9.73263733 +1 5.65119374 +1 0.1520 H( 26 VAL 3) -16.35955237 +1 -8.96251118 +1 4.74651220 +1 0.1547 H( 27 VAL* 3) -18.42436846 +1 -11.12394438 +1 8.60280802 +1 0.2928 N( 28 ILE* 4) -15.71200000 +0 -9.34800000 +0 9.97200000 +0 -0.4751 C( 29 ILE* 4) -15.51600000 +0 -8.19700000 +0 10.87700000 +0 -0.0771 C( 30 ILE* 4) -14.10600000 +0 -7.63000000 +0 10.57500000 +0 0.5810 O( 31 ILE* 4) -13.16100000 +0 -7.71100000 +0 11.34400000 +0 -0.5795 C( 32 ILE 4) -15.61600000 +0 -8.61300000 +0 12.37200000 +0 -0.0406 C( 33 ILE 4) -15.53200000 +0 -7.35800000 +0 13.24500000 +0 -0.4954 C( 34 ILE 4) -16.90200000 +0 -9.41000000 +0 12.66600000 +0 -0.2524 C( 35 ILE 4) -16.82099900 +0 -10.12900000 +0 14.01100000 +0 -0.4582 H( 36 ILE* 4) -16.29386809 +1 -7.41200616 +1 10.65817061 +1 0.1798 H( 37 ILE 4) -14.73274885 +1 -9.26579944 +1 12.59306102 +1 0.1511 H( 38 ILE 4) -14.57335139 +1 -6.83839646 +1 13.10839838 +1 0.1637 H( 39 ILE 4) -15.59643529 +1 -7.61633651 +1 14.30984698 +1 0.1615 H( 40 ILE 4) -16.34308457 +1 -6.65316758 +1 13.04010713 +1 0.1475 H( 41 ILE 4) -17.78068649 +1 -8.73705057 +1 12.64646281 +1 0.1366 H( 42 ILE 4) -17.08340427 +1 -10.15776108 +1 11.86801741 +1 0.1436 H( 43 ILE 4) -16.76975838 +1 -9.42382857 +1 14.84961645 +1 0.1468 H( 44 ILE 4) -15.92662819 +1 -10.77187822 +1 14.07317376 +1 0.1479 H( 45 ILE 4) -17.69793237 +1 -10.76549121 +1 14.17311039 +1 0.1488 H( 46 ILE* 4) -15.17862049 +1 -10.20746920 +1 10.19497475 +1 0.3248 N( 47 ASN* 5) -13.99800000 +0 -6.97600000 +0 9.34700000 +0 -0.5210 C( 48 ASN* 5) -12.69300000 +0 -6.58000000 +0 8.78900000 +0 0.0211 C( 49 ASN* 5) -12.59000000 +0 -5.06200000 +0 8.52900000 +0 0.5748 O( 50 ASN* 5) -11.56900000 +0 -4.58700000 +0 8.02000000 +0 -0.6598 C( 51 ASN 5) -12.39400000 +0 -7.32900000 +0 7.48400000 +0 -0.4675 C( 52 ASN 5) -13.32600000 +0 -6.98000000 +0 6.35000000 +0 0.6435 N( 53 ASN 5) -12.88600000 +0 -7.27100000 +0 5.07500000 +0 -0.5637 O( 54 ASN 5) -14.45000000 +0 -6.49000000 +0 6.50100000 +0 -0.6577 H( 55 ASN* 5) -11.86616118 +1 -6.82870459 +1 9.54264800 +1 0.2265 H( 56 ASN 5) -11.32456151 +1 -7.14130540 +1 7.19534765 +1 0.2270 H( 57 ASN 5) -12.43233720 +1 -8.43197067 +1 7.67422637 +1 0.2213 H( 58 ASN 5) -11.94384013 +1 -7.59054506 +1 4.86327615 +1 0.2998 H( 59 ASN 5) -13.47178505 +1 -7.08367020 +1 4.27368440 +1 0.2794 H( 60 ASN* 5) -14.77465626 +1 -7.00746638 +1 8.66029644 +1 0.3136 N( 61 THR* 6) -13.64600000 +0 -4.23700000 +0 8.86100000 +0 -0.4275 C( 62 THR* 6) -13.56500000 +0 -2.78000000 +0 8.67200000 +0 -0.1430 C( 63 THR* 6) -13.12400000 +0 -2.14300000 +0 10.00600000 +0 0.5856 O( 64 THR* 6) -13.37100000 +0 -2.65900000 +0 11.09900000 +0 -0.6546 C( 65 THR 6) -14.92000000 +0 -2.18400000 +0 8.17900000 +0 0.2347 C( 66 THR 6) -15.27300000 +0 -2.68000000 +0 6.79300000 +0 -0.5720 O( 67 THR 6) -15.97200000 +0 -2.48100000 +0 9.10800000 +0 -0.6322 H( 68 THR* 6) -12.78518786 +1 -2.55882431 +1 7.87165151 +1 0.2133 H( 69 THR 6) -14.86667468 +1 -1.06587793 +1 8.23342583 +1 0.1345 H( 70 THR 6) -16.26682748 +1 -2.33485352 +1 6.48188251 +1 0.1777 H( 71 THR 6) -15.28290656 +1 -3.78129497 +1 6.72939213 +1 0.1910 H( 72 THR 6) -14.54903726 +1 -2.33445331 +1 6.03380104 +1 0.2024 H( 73 THR 6) -16.31284893 +1 -3.41999801 +1 8.98144944 +1 0.3669 H( 74 THR* 6) -14.50139854 +1 -4.59306511 +1 9.31112070 +1 0.3160 N( 75 PHE* 7) -12.41100000 +0 -0.96800000 +0 9.90700000 +0 -0.5093 C( 76 PHE* 7) -11.71200000 +0 -0.36400000 +0 11.06700000 +0 0.0030 C( 77 PHE* 7) -12.59300000 +0 -0.31100000 +0 12.33700000 +0 0.5787 O( 78 PHE* 7) -12.14900000 +0 -0.62400000 +0 13.43600000 +0 -0.6091 C( 79 PHE 7) -11.24900000 +0 1.06900000 +0 10.74400000 +0 -0.3558 C( 80 PHE 7) -10.12900000 +0 1.12700000 +0 9.74400000 +0 0.0678 C( 81 PHE 7) -10.34200000 +0 1.68600000 +0 8.47400000 +0 -0.1866 C( 82 PHE 7) -9.27700000 +0 1.81400000 +0 7.57800000 +0 -0.1327 C( 83 PHE 7) -7.99600000 +0 1.38400000 +0 7.93600000 +0 -0.1786 C( 84 PHE 7) -7.79000000 +0 0.78900000 +0 9.18500000 +0 -0.1286 C( 85 PHE 7) -8.84900000 +0 0.66300000 +0 10.09000000 +0 -0.2171 H( 86 PHE* 7) -10.82493225 +1 -1.01477414 +1 11.31998831 +1 0.1729 H( 87 PHE 7) -10.92410148 +1 1.57183987 +1 11.68386478 +1 0.1780 H( 88 PHE 7) -12.11908249 +1 1.68610858 +1 10.39805185 +1 0.2046 H( 89 PHE 7) -11.34489553 +1 2.00739710 +1 8.18221175 +1 0.1717 H( 90 PHE 7) -8.67865200 +1 0.20618856 +1 11.06407223 +1 0.1553 H( 91 PHE 7) -6.79406369 +1 0.43275063 +1 9.46054766 +1 0.1570 H( 92 PHE 7) -7.15601249 +1 1.51764603 +1 7.24912629 +1 0.1663 H( 93 PHE 7) -9.44424377 +1 2.25241659 +1 6.59412621 +1 0.1468 H( 94 PHE* 7) -12.35212281 +1 -0.42653712 +1 9.00223832 +1 0.3439 N( 95 ASP* 8) -13.89700000 +0 0.13600000 +0 12.17600000 +0 -0.5290 C( 96 ASP* 8) -14.78900000 +0 0.30900000 +0 13.34400000 +0 0.0423 C( 97 ASP* 8) -15.08800000 +0 -1.04900000 +0 14.03500000 +0 0.5622 O( 98 ASP* 8) -15.16400000 +0 -1.11800000 +0 15.26100000 +0 -0.6129 C( 99 ASP 8) -16.12000100 +0 0.95900000 +0 12.94900000 +0 -0.5061 C( 100 ASP 8) -15.92500000 +0 2.17800000 +0 12.09300000 +0 0.6908 O( 101 ASP 8) -16.58600000 +0 2.14900000 +0 10.88100000 +0 -0.5621 O( 102 ASP 8) -15.24900000 +0 3.15200000 +0 12.31000000 +0 -0.4766 H( 103 ASP* 8) -14.26796565 +1 0.95658677 +1 14.11660223 +1 0.1985 H( 104 ASP 8) -16.64815001 +1 1.27037393 +1 13.90545708 +1 0.2619 H( 105 ASP 8) -16.80550712 +1 0.22723753 +1 12.46752798 +1 0.2001 H( 106 ASP 8) -17.17318332 +1 1.33911405 +1 10.73664953 +1 0.3650 H( 107 ASP* 8) -14.23972390 +1 0.43186566 +1 11.23899341 +1 0.3228 N( 108 GLY* 9) -15.34500000 +0 -2.13900000 +0 13.22000000 +0 -0.4347 C( 109 GLY* 9) -15.62500000 +0 -3.45600000 +0 13.81400000 +0 -0.2488 C( 110 GLY* 9) -14.40000000 +0 -4.20900000 +0 14.32400000 +0 0.5848 O( 111 GLY* 9) -14.50300000 +0 -5.04300000 +0 15.22800000 +0 -0.6323 H( 112 GLY* 9) -16.34424953 +1 -3.33961849 +1 14.68473401 +1 0.2426 H( 113 GLY* 9) -16.16509414 +1 -4.09293309 +1 13.07214992 +1 0.1919 H( 114 GLY* 9) -14.99090087 +1 -2.16310439 +1 12.24981710 +1 0.3062 N( 115 VAL* 10) -13.15700000 +0 -3.88400000 +0 13.81200000 +0 -0.4778 C( 116 VAL* 10) -11.96800000 +0 -4.64600000 +0 14.26300000 +0 -0.0807 C( 117 VAL* 10) -11.47500000 +0 -4.03800000 +0 15.58800000 +0 0.5702 O( 118 VAL* 10) -11.14000000 +0 -4.75900000 +0 16.52199900 +0 -0.6124 C( 119 VAL 10) -10.85800000 +0 -4.67300000 +0 13.17600000 +0 0.0114 C( 120 VAL 10) -11.42600000 +0 -5.25600000 +0 11.88500000 +0 -0.5420 C( 121 VAL 10) -9.66700000 +0 -5.49300000 +0 13.67900000 +0 -0.5095 H( 122 VAL* 10) -12.27285206 +1 -5.71109115 +1 14.50094552 +1 0.1932 H( 123 VAL 10) -10.51599573 +1 -3.62490303 +1 12.98279168 +1 0.1231 H( 124 VAL 10) -10.63205945 +1 -5.49694617 +1 11.16117597 +1 0.1831 H( 125 VAL 10) -11.95818212 +1 -6.20651206 +1 12.05561039 +1 0.1936 H( 126 VAL 10) -12.12750811 +1 -4.57098348 +1 11.39156104 +1 0.1660 H( 127 VAL 10) -9.20372070 +1 -5.05619849 +1 14.57262861 +1 0.1584 H( 128 VAL 10) -9.95710847 +1 -6.52092467 +1 13.93308084 +1 0.1677 H( 129 VAL 10) -8.89777464 +1 -5.57550396 +1 12.89983719 +1 0.1619 H( 130 VAL* 10) -13.04284608 +1 -3.32060575 +1 12.95445897 +1 0.3216 N( 131 ALA* 11) -11.42900000 +0 -2.65500000 +0 15.69000000 +0 -0.5022 C( 132 ALA* 11) -11.17800000 +0 -2.00900000 +0 16.99799900 +0 0.0253 C( 133 ALA* 11) -12.28700000 +0 -2.31100000 +0 18.03800000 +0 0.5573 O( 134 ALA* 11) -11.99700000 +0 -2.51100000 +0 19.20900000 +0 -0.5902 C( 135 ALA 11) -11.04300000 +0 -0.50300000 +0 16.83499900 +0 -0.5191 H( 136 ALA* 11) -10.23077401 +1 -2.45024175 +1 17.43336159 +1 0.1766 H( 137 ALA 11) -10.17140109 +1 -0.24775512 +1 16.20069069 +1 0.1811 H( 138 ALA 11) -10.89398033 +1 -0.00769331 +1 17.80579844 +1 0.1833 H( 139 ALA 11) -11.92414152 +1 -0.04650791 +1 16.36012990 +1 0.1810 H( 140 ALA* 11) -11.73106283 +1 -2.04036462 +1 14.91737626 +1 0.3206 N( 141 ASP* 12) -13.60200000 +0 -2.40900000 +0 17.59199900 +0 -0.5097 C( 142 ASP* 12) -14.68000000 +0 -2.70500000 +0 18.56600000 +0 0.0337 C( 143 ASP* 12) -14.69700000 +0 -4.20800000 +0 18.94300100 +0 0.5597 O( 144 ASP* 12) -15.20900000 +0 -4.56700000 +0 20.00400000 +0 -0.6318 C( 145 ASP 12) -16.05600000 +0 -2.32300000 +0 18.02000000 +0 -0.5255 C( 146 ASP 12) -16.99200100 +0 -1.95400000 +0 19.15200000 +0 0.7108 O( 147 ASP 12) -18.10000000 +0 -2.69400000 +0 19.28800000 +0 -0.6021 O( 148 ASP 12) -16.79900000 +0 -1.03400000 +0 19.92300000 +0 -0.5611 H( 149 ASP* 12) -14.46297046 +1 -2.14126204 +1 19.52681364 +1 0.1891 H( 150 ASP 12) -16.48401492 +1 -3.13736294 +1 17.36903972 +1 0.2391 H( 151 ASP 12) -15.98546570 +1 -1.46012482 +1 17.31573821 +1 0.2157 H( 152 ASP 12) -18.12212960 +1 -3.63622889 +1 18.71420083 +1 0.3975 H( 153 ASP* 12) -13.89047762 +1 -2.12209001 +1 16.64740127 +1 0.3138 N( 154 TYR* 13) -14.16300000 +0 -5.11900000 +0 18.05900000 +0 -0.4736 C( 155 TYR* 13) -13.99200000 +0 -6.54500000 +0 18.42200100 +0 -0.0109 C( 156 TYR* 13) -12.85300000 +0 -6.68200000 +0 19.46400100 +0 0.5624 O( 157 TYR* 13) -13.08200000 +0 -7.18200000 +0 20.56399900 +0 -0.6283 C( 158 TYR 13) -13.71600000 +0 -7.37900000 +0 17.15900000 +0 -0.3090 C( 159 TYR 13) -13.78300000 +0 -8.84700000 +0 17.46400100 +0 -0.0987 C( 160 TYR 13) -14.91500000 +0 -9.59900000 +0 17.12100000 +0 -0.0570 C( 161 TYR 13) -14.97700000 +0 -10.96800000 +0 17.39900000 +0 -0.3592 C( 162 TYR 13) -13.89100000 +0 -11.56000000 +0 18.05900000 +0 0.3535 C( 163 TYR 13) -12.74400000 +0 -10.82600000 +0 18.41099900 +0 -0.2988 C( 164 TYR 13) -12.69500000 +0 -9.47600000 +0 18.09900100 +0 -0.0675 O( 165 TYR 13) -13.85200000 +0 -12.88300000 +0 18.40300000 +0 -0.4913 H( 166 TYR* 13) -14.93062291 +1 -6.91287280 +1 18.93337597 +1 0.1889 H( 167 TYR 13) -12.72775072 +1 -7.11652487 +1 16.72146573 +1 0.1650 H( 168 TYR 13) -14.44753363 +1 -7.09974356 +1 16.36456534 +1 0.1752 H( 169 TYR 13) -15.76184549 +1 -9.12010994 +1 16.62873277 +1 0.1383 H( 170 TYR 13) -11.79378983 +1 -8.90448672 +1 18.35223242 +1 0.1752 H( 171 TYR 13) -11.91220606 +1 -11.33658670 +1 18.91552715 +1 0.1899 H( 172 TYR 13) -14.56220935 +1 -13.42720456 +1 17.94540528 +1 0.3517 H( 173 TYR 13) -15.85447360 +1 -11.54910177 +1 17.13563069 +1 0.1724 H( 174 TYR* 13) -13.78156881 +1 -4.83270057 +1 17.14469764 +1 0.3138 N( 175 LEU* 14) -11.61500000 +0 -6.16600000 +0 19.14800100 +0 -0.4831 C( 176 LEU* 14) -10.45100000 +0 -6.30800000 +0 20.06300000 +0 -0.0155 C( 177 LEU* 14) -10.74600000 +0 -5.71400000 +0 21.46100000 +0 0.5632 O( 178 LEU* 14) -10.34400000 +0 -6.26000000 +0 22.47900000 +0 -0.5835 C( 179 LEU 14) -9.23200000 +0 -5.59000000 +0 19.46600000 +0 -0.3484 C( 180 LEU 14) -8.49800000 +0 -6.44700000 +0 18.40700000 +0 0.0476 C( 181 LEU 14) -7.34100000 +0 -7.22200000 +0 19.04600000 +0 -0.5105 C( 182 LEU 14) -7.99900000 +0 -5.55000000 +0 17.26800000 +0 -0.5201 H( 183 LEU* 14) -10.23249216 +1 -7.41009128 +1 20.20688162 +1 0.1927 H( 184 LEU 14) -8.52615974 +1 -5.31787565 +1 20.27753345 +1 0.1627 H( 185 LEU 14) -9.54504147 +1 -4.62014547 +1 19.02484736 +1 0.1614 H( 186 LEU 14) -9.21771262 +1 -7.19477084 +1 17.98064176 +1 0.1302 H( 187 LEU 14) -6.59874955 +1 -6.55536810 +1 19.49877810 +1 0.1547 H( 188 LEU 14) -7.70669910 +1 -7.90148424 +1 19.82434069 +1 0.1573 H( 189 LEU 14) -6.81174209 +1 -7.82741147 +1 18.30065224 +1 0.1552 H( 190 LEU 14) -8.84211593 +1 -5.05576556 +1 16.76624825 +1 0.1590 H( 191 LEU 14) -7.31270970 +1 -4.77764748 +1 17.63143303 +1 0.1519 H( 192 LEU 14) -7.45172624 +1 -6.13048267 +1 16.51707078 +1 0.1536 H( 193 LEU* 14) -11.41749249 +1 -5.75389273 +1 18.22223637 +1 0.3196 N( 194 GLN* 15) -11.44900000 +0 -4.51800000 +0 21.49700000 +0 -0.5090 C( 195 GLN* 15) -11.77300000 +0 -3.83500000 +0 22.76800000 +0 -0.0195 C( 196 GLN* 15) -12.86200000 +0 -4.55100000 +0 23.60100000 +0 0.5723 O( 197 GLN* 15) -13.00400000 +0 -4.27200000 +0 24.78700100 +0 -0.5863 C( 198 GLN 15) -12.16600000 +0 -2.37100000 +0 22.46999900 +0 -0.2695 C( 199 GLN 15) -13.59900000 +0 -1.99400000 +0 22.85700000 +0 -0.4203 C( 200 GLN 15) -13.79300000 +0 -0.49700000 +0 22.76300000 +0 0.6244 N( 201 GLN 15) -14.76600000 +0 -0.02700000 +0 21.89900000 +0 -0.5749 O( 202 GLN 15) -13.11500000 +0 0.30500000 +0 23.40399900 +0 -0.6213 H( 203 GLN* 15) -10.84966736 +1 -3.84956600 +1 23.42770174 +1 0.1932 H( 204 GLN 15) -11.44929701 +1 -1.70197962 +1 22.99725557 +1 0.1770 H( 205 GLN 15) -12.01234511 +1 -2.14507039 +1 21.38635943 +1 0.1750 H( 206 GLN 15) -13.81078962 +1 -2.28707572 +1 23.91716463 +1 0.2086 H( 207 GLN 15) -14.32758868 +1 -2.56327364 +1 22.24619096 +1 0.1760 H( 208 GLN 15) -14.97470019 +1 0.96260256 +1 21.87551183 +1 0.2757 H( 209 GLN 15) -15.43122707 +1 -0.61875008 +1 21.41037143 +1 0.2969 H( 210 GLN* 15) -11.75443206 +1 -4.04564746 +1 20.63414033 +1 0.3108 N( 211 THR* 16) -13.72100000 +0 -5.43700000 +0 22.96400100 +0 -0.4841 C( 212 THR* 16) -14.79000000 +0 -6.11700000 +0 23.71999900 +0 -0.1325 C( 213 THR* 16) -14.39800000 +0 -7.55200000 +0 24.14200000 +0 0.5767 O( 214 THR* 16) -14.62200000 +0 -7.95300000 +0 25.27599900 +0 -0.5798 C( 215 THR 16) -16.08700000 +0 -6.16900000 +0 22.86300100 +0 0.2105 C( 216 THR 16) -17.26000000 +0 -6.73200000 +0 23.63999900 +0 -0.5335 O( 217 THR 16) -16.47500000 +0 -4.80700000 +0 22.54999900 +0 -0.5853 H( 218 THR* 16) -14.98774163 +1 -5.53507960 +1 24.67463260 +1 0.2220 H( 219 THR 16) -15.91260433 +1 -6.70792160 +1 21.90091521 +1 0.1319 H( 220 THR 16) -17.53918379 +1 -6.07819663 +1 24.47919058 +1 0.1845 H( 221 THR 16) -17.03892280 +1 -7.72656514 +1 24.06114537 +1 0.1931 H( 222 THR 16) -18.14572909 +1 -6.84476226 +1 23.00131973 +1 0.1696 H( 223 THR 16) -15.84444516 +1 -4.42203422 +1 21.88008470 +1 0.3436 H( 224 THR* 16) -13.55079526 +1 -5.76574787 +1 22.00390803 +1 0.3071 N( 225 TYR* 17) -13.77800000 +0 -8.33000000 +0 23.17700000 +0 -0.4977 C( 226 TYR* 17) -13.49000000 +0 -9.76900000 +0 23.36599900 +0 -0.0314 C( 227 TYR* 17) -11.97000000 +0 -10.02400000 +0 23.43499900 +0 0.5709 O( 228 TYR* 17) -11.51900000 +0 -11.16500000 +0 23.47699900 +0 -0.5975 C( 229 TYR 17) -14.10800000 +0 -10.59800000 +0 22.21699900 +0 -0.3129 C( 230 TYR 17) -15.49500000 +0 -10.12300000 +0 21.88400100 +0 -0.0429 C( 231 TYR 17) -15.71500000 +0 -9.32700000 +0 20.75200100 +0 -0.0800 C( 232 TYR 17) -16.98800100 +0 -8.81700000 +0 20.47400100 +0 -0.3624 C( 233 TYR 17) -18.03100000 +0 -9.13700000 +0 21.34700000 +0 0.3297 C( 234 TYR 17) -17.84800000 +0 -9.95600000 +0 22.47400100 +0 -0.3039 C( 235 TYR 17) -16.57200100 +0 -10.44600000 +0 22.73200000 +0 -0.0557 O( 236 TYR 17) -19.30400100 +0 -8.63800000 +0 21.17600100 +0 -0.5895 H( 237 TYR* 17) -13.91919806 +1 -10.12293428 +1 24.36755794 +1 0.2291 H( 238 TYR 17) -14.13122509 +1 -11.67302887 +1 22.52267856 +1 0.1960 H( 239 TYR 17) -13.45856177 +1 -10.57344779 +1 21.31824773 +1 0.1590 H( 240 TYR 17) -14.88404479 +1 -9.09087260 +1 20.08221436 +1 0.1556 H( 241 TYR 17) -16.39675759 +1 -11.06735004 +1 23.62588599 +1 0.1975 H( 242 TYR 17) -18.68336428 +1 -10.19804063 +1 23.12462049 +1 0.1757 H( 243 TYR 17) -19.36467979 +1 -7.96551118 +1 20.39534007 +1 0.3686 H( 244 TYR 17) -17.16179403 +1 -8.19948952 +1 19.60034374 +1 0.1633 H( 245 TYR* 17) -13.71607254 +1 -8.00722329 +1 22.19924620 +1 0.3106 N( 246 HIS* 18) -11.10900000 +0 -8.92700000 +0 23.34400000 +0 -0.4899 C( 247 HIS* 18) -9.67800000 +0 -9.01200000 +0 23.71400100 +0 -0.0161 C( 248 HIS* 18) -8.91500000 +0 -9.95300000 +0 22.77000000 +0 0.5900 O( 249 HIS* 18) -7.98300000 +0 -10.66900000 +0 23.15900000 +0 -0.6732 C( 250 HIS 18) -9.46500000 +0 -9.43300000 +0 25.18300100 +0 -0.2847 C( 251 HIS 18) -10.06300000 +0 -8.42300000 +0 26.09199900 +0 0.0501 C( 252 HIS 18) -9.70400000 +0 -7.07400000 +0 26.24099900 +0 -0.2146 N( 253 HIS 18) -10.59500000 +0 -6.53100000 +0 27.16799900 +0 -0.2002 C( 254 HIS 18) -11.47500000 +0 -7.55100000 +0 27.54200000 +0 -0.0021 N( 255 HIS 18) -11.16300000 +0 -8.71200000 +0 26.90600000 +0 -0.3943 H( 256 HIS* 18) -9.24736092 +1 -7.96734259 +1 23.56224265 +1 0.2036 H( 257 HIS 18) -8.37728921 +1 -9.54551329 +1 25.38614208 +1 0.1703 H( 258 HIS 18) -9.91493022 +1 -10.43704092 +1 25.36184954 +1 0.1854 H( 259 HIS 18) -8.91162312 +1 -6.51241587 +1 25.77892119 +1 0.1933 H( 260 HIS 18) -12.28236193 +1 -7.41639142 +1 28.24633824 +1 0.1875 H( 261 HIS 18) -10.67198477 +1 -5.52480632 +1 27.42279816 +1 0.3251 H( 262 HIS* 18) -11.47484443 +1 -7.96491269 +1 23.42127385 +1 0.3115 N( 263 LYS* 19) -9.22000000 +0 -9.86600000 +0 21.42300000 +0 -0.4625 C( 264 LYS* 19) -8.65500000 +0 -10.81900000 +0 20.43600100 +0 -0.0352 C( 265 LYS* 19) -9.12400000 +0 -10.35500000 +0 19.04500000 +0 0.5655 O( 266 LYS* 19) -9.78900000 +0 -9.33400000 +0 18.87999900 +0 -0.6046 C( 267 LYS 19) -9.04600000 +0 -12.28200000 +0 20.71800000 +0 -0.3030 C( 268 LYS 19) -10.55300000 +0 -12.52600000 +0 20.73700000 +0 -0.2606 C( 269 LYS 19) -10.88900000 +0 -14.01600000 +0 20.84700000 +0 -0.3179 C( 270 LYS 19) -12.39000000 +0 -14.23200000 +0 21.12299900 +0 -0.1372 N( 271 LYS 19) -12.82400000 +0 -13.93000000 +0 22.51100000 +0 -0.5325 H( 272 LYS* 19) -7.52594349 +1 -10.73913595 +1 20.47528640 +1 0.1743 H( 273 LYS 19) -8.60978864 +1 -12.57846767 +1 21.70263930 +1 0.1588 H( 274 LYS 19) -8.55094224 +1 -12.94268914 +1 19.97524626 +1 0.1543 H( 275 LYS 19) -11.01041389 +1 -11.97552101 +1 21.59118023 +1 0.1667 H( 276 LYS 19) -11.02777998 +1 -12.11095199 +1 19.81668948 +1 0.1368 H( 277 LYS 19) -10.28692001 +1 -14.49164222 +1 21.64438237 +1 0.1379 H( 278 LYS 19) -10.61050264 +1 -14.53462731 +1 19.90940225 +1 0.1399 H( 279 LYS 19) -12.66343273 +1 -15.28464952 +1 20.89396489 +1 0.1301 H( 280 LYS 19) -13.00050215 +1 -13.60374318 +1 20.42857204 +1 0.1557 H( 281 LYS 19) -12.51910346 +1 -12.99108237 +1 22.79073902 +1 0.2294 H( 282 LYS 19) -12.38889622 +1 -14.57261203 +1 23.16850002 +1 0.2040 H( 283 LYS* 19) -10.06149204 +1 -9.35367607 +1 21.11264331 +1 0.3100 N( 284 LEU* 20) -8.72300000 +0 -11.14100000 +0 17.98000000 +0 -0.4639 C( 285 LEU* 20) -9.15300000 +0 -10.82300000 +0 16.60500000 +0 -0.0175 C( 286 LEU* 20) -10.39300000 +0 -11.67200000 +0 16.23600000 +0 0.5505 O( 287 LEU* 20) -10.60900000 +0 -12.79200000 +0 16.68400000 +0 -0.5801 C( 288 LEU 20) -8.05500000 +0 -11.15600000 +0 15.58300000 +0 -0.3496 C( 289 LEU 20) -6.85100000 +0 -10.19600000 +0 15.65600000 +0 0.0584 C( 290 LEU 20) -7.24800000 +0 -8.77500000 +0 15.24400000 +0 -0.5185 C( 291 LEU 20) -5.72100000 +0 -10.72100000 +0 14.77000000 +0 -0.5265 H( 292 LEU* 20) -9.40718104 +1 -9.72167426 +1 16.56999500 +1 0.1811 H( 293 LEU 20) -7.71125357 +1 -12.20165758 +1 15.72192093 +1 0.1618 H( 294 LEU 20) -8.48274372 +1 -11.13350024 +1 14.55717034 +1 0.1693 H( 295 LEU 20) -6.47561496 +1 -10.16638065 +1 16.71825888 +1 0.1002 H( 296 LEU 20) -6.37677226 +1 -8.10813732 +1 15.25744848 +1 0.1599 H( 297 LEU 20) -7.98870203 +1 -8.34912676 +1 15.93308407 +1 0.1593 H( 298 LEU 20) -7.67227965 +1 -8.74704060 +1 14.23506898 +1 0.1535 H( 299 LEU 20) -4.82500295 +1 -10.09507850 +1 14.88156013 +1 0.1678 H( 300 LEU 20) -5.43138133 +1 -11.74996945 +1 15.01845887 +1 0.1664 H( 301 LEU 20) -5.98967790 +1 -10.73835829 +1 13.70346507 +1 0.1583 H( 302 LEU* 20) -8.23910290 +1 -12.03301161 +1 18.12542355 +1 0.3035 N( 303 PRO* 21) -11.21700000 +0 -11.14500000 +0 15.25000000 +0 -0.4002 C( 304 PRO* 21) -12.37200000 +0 -11.91500000 +0 14.72600000 +0 -0.0138 C( 305 PRO* 21) -11.83900000 +0 -13.08300000 +0 13.87400000 +0 0.5797 O( 306 PRO* 21) -10.86100000 +0 -13.01800000 +0 13.14000000 +0 -0.6020 C( 307 PRO 21) -13.18400000 +0 -10.93900000 +0 13.85100000 +0 -0.2830 C( 308 PRO 21) -12.58900000 +0 -9.53800000 +0 14.08500000 +0 -0.2876 C( 309 PRO 21) -11.21900000 +0 -9.73800000 +0 14.75000000 +0 -0.0733 H( 310 PRO* 21) -12.98581631 +1 -12.30194283 +1 15.58884856 +1 0.1797 H( 311 PRO 21) -14.26178772 +1 -10.96788550 +1 14.12259431 +1 0.1563 H( 312 PRO 21) -13.13360292 +1 -11.20468851 +1 12.77324996 +1 0.1722 H( 313 PRO 21) -13.25543937 +1 -8.94044948 +1 14.73542227 +1 0.1521 H( 314 PRO 21) -12.50149285 +1 -8.97772895 +1 13.12921387 +1 0.1764 H( 315 PRO 21) -11.06325727 +1 -9.03006708 +1 15.59244132 +1 0.1355 H( 316 PRO 21) -10.38801644 +1 -9.60317021 +1 14.02262623 +1 0.1396 N( 317 ASN* 22) -12.65700000 +0 -14.22100000 +0 13.90000000 +0 -0.5432 C( 318 ASN* 22) -12.21200000 +0 -15.47600000 +0 13.25400000 +0 0.0204 C( 319 ASN* 22) -12.03200000 +0 -15.35400000 +0 11.72700000 +0 0.5569 O( 320 ASN* 22) -11.45200000 +0 -16.25900100 +0 11.12100000 +0 -0.6210 C( 321 ASN 22) -13.19400000 +0 -16.62000100 +0 13.54700000 +0 -0.4564 C( 322 ASN 22) -12.80800000 +0 -17.35400000 +0 14.82100000 +0 0.6263 N( 323 ASN 22) -12.17600000 +0 -18.56699900 +0 14.66200000 +0 -0.5636 O( 324 ASN 22) -13.04900000 +0 -16.92600100 +0 15.94700000 +0 -0.6103 H( 325 ASN* 22) -11.17636975 +1 -15.74820106 +1 13.63305650 +1 0.1806 H( 326 ASN 22) -14.23677410 +1 -16.24529971 +1 13.64906944 +1 0.2007 H( 327 ASN 22) -13.23237302 +1 -17.32765833 +1 12.68068674 +1 0.2141 H( 328 ASN 22) -11.89405565 +1 -19.09793028 +1 15.47365550 +1 0.2789 H( 329 ASN 22) -11.93539453 +1 -18.95852407 +1 13.74538053 +1 0.3132 H( 330 ASN* 22) -13.30869864 +1 -14.35198972 +1 14.71732516 +1 0.3333 N( 331 ASP* 23) -12.45800000 +0 -14.23800000 +0 11.03300000 +0 -0.4596 C( 332 ASP* 23) -11.99700000 +0 -14.04400000 +0 9.64600000 +0 0.0194 C( 333 ASP* 23) -10.57200000 +0 -13.43400000 +0 9.54000000 +0 0.5535 O( 334 ASP* 23) -10.23100000 +0 -12.97000000 +0 8.44500000 +0 -0.6748 C( 335 ASP 23) -12.99000000 +0 -13.22600000 +0 8.82700000 +0 -0.5013 C( 336 ASP 23) -13.35800000 +0 -11.87700000 +0 9.38300000 +0 0.7278 O( 337 ASP 23) -13.33500000 +0 -10.83600000 +0 8.53500000 +0 -0.6151 O( 338 ASP 23) -13.75500000 +0 -11.67200000 +0 10.52300000 +0 -0.5925 H( 339 ASP* 23) -11.88362749 +1 -15.07397708 +1 9.14978516 +1 0.1956 H( 340 ASP 23) -13.95889765 +1 -13.79346200 +1 8.71444216 +1 0.2464 H( 341 ASP 23) -12.61432119 +1 -13.14591225 +1 7.77036534 +1 0.2276 H( 342 ASP 23) -12.73209323 +1 -10.98472144 +1 7.61864851 +1 0.4005 H( 343 ASP* 23) -12.94990576 +1 -13.44576992 +1 11.47394936 +1 0.3216 N( 344 TYR* 24) -9.68300000 +0 -13.56400000 +0 10.57500000 +0 -0.4256 C( 345 TYR* 24) -8.30200000 +0 -13.04000000 +0 10.47500000 +0 -0.0226 C( 346 TYR* 24) -7.31900000 +0 -14.19600000 +0 10.76400000 +0 0.5812 O( 347 TYR* 24) -7.39500000 +0 -14.90900000 +0 11.76600000 +0 -0.6220 C( 348 TYR 24) -8.06200000 +0 -11.93600000 +0 11.52400000 +0 -0.3218 C( 349 TYR 24) -8.54000000 +0 -10.61200000 +0 11.00600000 +0 -0.0483 C( 350 TYR 24) -9.78700000 +0 -10.10000000 +0 11.40200000 +0 -0.0854 C( 351 TYR 24) -10.22100000 +0 -8.86200000 +0 10.93300000 +0 -0.2879 C( 352 TYR 24) -9.38000000 +0 -8.14700000 +0 10.06800000 +0 0.3265 C( 353 TYR 24) -8.14700000 +0 -8.65000000 +0 9.62900000 +0 -0.3702 C( 354 TYR 24) -7.73600000 +0 -9.89100000 +0 10.10800000 +0 -0.0861 O( 355 TYR 24) -9.83600000 +0 -6.91000000 +0 9.66800000 +0 -0.5325 H( 356 TYR* 24) -8.13567606 +1 -12.62080215 +1 9.43025819 +1 0.2139 H( 357 TYR 24) -8.57300033 +1 -12.19964558 +1 12.48046367 +1 0.1835 H( 358 TYR 24) -6.97833284 +1 -11.88757048 +1 11.78540466 +1 0.1791 H( 359 TYR 24) -10.42645833 +1 -10.68636648 +1 12.07110373 +1 0.1712 H( 360 TYR 24) -6.79033768 +1 -10.31681614 +1 9.76990659 +1 0.1580 H( 361 TYR 24) -7.53544652 +1 -8.07954308 +1 8.92838696 +1 0.1884 H( 362 TYR 24) -9.19952046 +1 -6.46669731 +1 9.01691027 +1 0.3560 H( 363 TYR 24) -11.19628071 +1 -8.45229389 +1 11.21419511 +1 0.2051 H( 364 TYR* 24) -9.99306692 +1 -13.78416534 +1 11.54146766 +1 0.3251 N( 365 ILE* 25) -6.31700000 +0 -14.36400000 +0 9.82400000 +0 -0.4768 C( 366 ILE* 25) -5.27500000 +0 -15.40100000 +0 9.94800000 +0 -0.0857 C( 367 ILE* 25) -3.90600000 +0 -14.71500000 +0 9.77000000 +0 0.5762 O( 368 ILE* 25) -3.74000000 +0 -13.74700000 +0 9.02900000 +0 -0.6189 C( 369 ILE 25) -5.44100000 +0 -16.53100000 +0 8.88800000 +0 -0.0324 C( 370 ILE 25) -6.67200000 +0 -17.37599900 +0 9.22500000 +0 -0.4985 C( 371 ILE 25) -5.51600000 +0 -15.97100000 +0 7.45500000 +0 -0.2635 C( 372 ILE 25) -5.13400000 +0 -17.01400000 +0 6.40900000 +0 -0.4678 H( 373 ILE* 25) -5.34116876 +1 -15.86258845 +1 10.98139270 +1 0.1946 H( 374 ILE 25) -4.53312111 +1 -17.18190381 +1 8.96803526 +1 0.1242 H( 375 ILE 25) -7.59812084 +1 -16.77392930 +1 9.22353452 +1 0.1679 H( 376 ILE 25) -6.59164147 +1 -17.84005440 +1 10.21422163 +1 0.1557 H( 377 ILE 25) -6.80829466 +1 -18.17537193 +1 8.48784236 +1 0.1556 H( 378 ILE 25) -4.85059349 +1 -15.08685368 +1 7.35307457 +1 0.1525 H( 379 ILE 25) -6.54561008 +1 -15.59151424 +1 7.24929978 +1 0.1421 H( 380 ILE 25) -4.10166262 +1 -17.35999006 +1 6.54270327 +1 0.1506 H( 381 ILE 25) -5.78716238 +1 -17.89299263 +1 6.45069783 +1 0.1496 H( 382 ILE 25) -5.21434248 +1 -16.59451051 +1 5.39737573 +1 0.1523 H( 383 ILE* 25) -6.22820467 +1 -13.73561209 +1 9.00442054 +1 0.3263 N( 384 THR* 26) -2.82400000 +0 -15.27100000 +0 10.44100000 +0 -0.4472 C( 385 THR* 26) -1.52600000 +0 -14.56600000 +0 10.39000000 +0 -0.1442 C( 386 THR* 26) -0.81900000 +0 -14.92900000 +0 9.06500000 +0 0.6203 O( 387 THR* 26) -1.07700000 +0 -15.91800000 +0 8.39300000 +0 -0.6063 C( 388 THR 26) -0.59900000 +0 -14.87000000 +0 11.60300000 +0 0.2470 C( 389 THR 26) -1.29800000 +0 -14.81000000 +0 12.94300000 +0 -0.5722 O( 390 THR 26) 0.02000000 +0 -16.15200000 +0 11.42700000 +0 -0.6346 H( 391 THR* 26) -1.74306448 +1 -13.44334081 +1 10.39660248 +1 0.2265 H( 392 THR 26) 0.28589963 +1 -14.17729929 +1 11.56019575 +1 0.1230 H( 393 THR 26) -1.87775785 +1 -13.87128402 +1 13.06032664 +1 0.2070 H( 394 THR 26) -0.57792398 +1 -14.86120929 +1 13.77072440 +1 0.1808 H( 395 THR 26) -2.00498211 +1 -15.64092452 +1 13.09061049 +1 0.1874 H( 396 THR 26) -0.62502999 +1 -16.88790527 +1 11.62984182 +1 0.3534 H( 397 THR* 26) -2.93956965 +1 -15.98478176 +1 11.16767909 +1 0.3045 N( 398 LYS* 27) 0.12800000 +0 -13.98400000 +0 8.64200000 +0 -0.5420 C( 399 LYS* 27) 0.81200000 +0 -14.08800000 +0 7.32700000 +0 -0.0199 C( 400 LYS* 27) 1.32200000 +0 -15.51700000 +0 7.02900000 +0 0.5883 O( 401 LYS* 27) 0.99800000 +0 -16.10500000 +0 5.99800000 +0 -0.6303 C( 402 LYS 27) 2.00900000 +0 -13.12600000 +0 7.24900000 +0 -0.3460 C( 403 LYS 27) 1.67800000 +0 -11.78400000 +0 6.59300000 +0 -0.2332 C( 404 LYS 27) 2.91100000 +0 -10.88400000 +0 6.44100000 +0 -0.3285 C( 405 LYS 27) 3.57600000 +0 -10.45300000 +0 7.76200000 +0 -0.1345 N( 406 LYS 27) 3.15000000 +0 -9.13200000 +0 8.30400000 +0 -0.5566 H( 407 LYS* 27) 0.03338792 +1 -13.84605509 +1 6.53401609 +1 0.1816 H( 408 LYS 27) 2.45002223 +1 -12.96798482 +1 8.25890002 +1 0.1645 H( 409 LYS 27) 2.84750046 +1 -13.60714016 +1 6.67475564 +1 0.2105 H( 410 LYS 27) 0.87241542 +1 -11.25340908 +1 7.16156856 +1 0.1140 H( 411 LYS 27) 1.23786557 +1 -11.95661001 +1 5.58652726 +1 0.1468 H( 412 LYS 27) 3.66518696 +1 -11.41503704 +1 5.82167113 +1 0.1579 H( 413 LYS 27) 2.63050647 +1 -9.99044577 +1 5.84513578 +1 0.1526 H( 414 LYS 27) 3.40354737 +1 -11.21961727 +1 8.55015858 +1 0.1359 H( 415 LYS 27) 4.68130298 +1 -10.41556812 +1 7.62094222 +1 0.1464 H( 416 LYS 27) 2.13300741 +1 -9.09593529 +1 8.41204427 +1 0.2235 H( 417 LYS 27) 3.39206007 +1 -8.38726590 +1 7.65178030 +1 0.2116 H( 418 LYS* 27) 0.62880342 +1 -13.41525187 +1 9.34688316 +1 0.3038 N( 419 SER* 28) 2.12100000 +0 -16.10100000 +0 7.99700000 +0 -0.4846 C( 420 SER* 28) 2.76800000 +0 -17.40700000 +0 7.75000000 +0 -0.1001 C( 421 SER* 28) 1.70900000 +0 -18.50700000 +0 7.55800000 +0 0.5777 O( 422 SER* 28) 1.91500000 +0 -19.45100000 +0 6.78500000 +0 -0.6617 C( 423 SER 28) 3.73300000 +0 -17.78500000 +0 8.90700000 +0 -0.0107 O( 424 SER 28) 4.87000000 +0 -18.42900100 +0 8.36700000 +0 -0.5601 H( 425 SER* 28) 3.37347934 +1 -17.35046383 +1 6.79168258 +1 0.2055 H( 426 SER 28) 4.15497725 +1 -16.88099645 +1 9.39482183 +1 0.1621 H( 427 SER 28) 3.24143858 +1 -18.41582517 +1 9.67521849 +1 0.1489 H( 428 SER 28) 4.64970958 +1 -19.36481580 +1 8.03660255 +1 0.3476 H( 429 SER* 28) 2.48677804 +1 -15.54048672 +1 8.78717279 +1 0.3194 N( 430 GLU* 29) 0.54600000 +0 -18.41900100 +0 8.29000000 +0 -0.4550 C( 431 GLU* 29) -0.58500000 +0 -19.35400000 +0 8.11200000 +0 -0.0187 C( 432 GLU* 29) -1.15700000 +0 -19.26700000 +0 6.67300000 +0 0.5353 O( 433 GLU* 29) -1.38700000 +0 -20.29200000 +0 6.04300000 +0 -0.5847 C( 434 GLU 29) -1.69800000 +0 -19.03100000 +0 9.12300000 +0 -0.2700 C( 435 GLU 29) -1.29200000 +0 -19.42600100 +0 10.54500000 +0 -0.4701 C( 436 GLU 29) -2.29300000 +0 -18.89399900 +0 11.52600000 +0 0.6777 O( 437 GLU 29) -3.35800000 +0 -19.69000100 +0 11.85200000 +0 -0.4950 O( 438 GLU 29) -2.26600000 +0 -17.80100100 +0 12.05700000 +0 -0.5270 H( 439 GLU* 29) -0.21184096 +1 -20.40980237 +1 8.24262498 +1 0.1799 H( 440 GLU 29) -1.93869188 +1 -17.93596049 +1 9.07691524 +1 0.1932 H( 441 GLU 29) -2.62992451 +1 -19.55491433 +1 8.82330142 +1 0.1612 H( 442 GLU 29) -0.27040796 +1 -19.00348898 +1 10.78366193 +1 0.2391 H( 443 GLU 29) -1.15407669 +1 -20.52190109 +1 10.63407659 +1 0.1874 H( 444 GLU 29) -3.37648895 +1 -20.57686774 +1 11.41270091 +1 0.3423 H( 445 GLU* 29) 0.34513350 +1 -17.58316409 +1 8.86348361 +1 0.3140 N( 446 ALA* 30) -1.40900000 +0 -18.00700000 +0 6.16700000 +0 -0.4834 C( 447 ALA* 30) -1.79300000 +0 -17.82200100 +0 4.74700000 +0 0.0339 C( 448 ALA* 30) -0.79000000 +0 -18.50600100 +0 3.78400000 +0 0.5466 O( 449 ALA* 30) -1.19200000 +0 -19.16099900 +0 2.82500000 +0 -0.6119 C( 450 ALA 30) -1.89100000 +0 -16.33799900 +0 4.42600000 +0 -0.5277 H( 451 ALA* 30) -2.78581817 +1 -18.33458410 +1 4.57506939 +1 0.1770 H( 452 ALA 30) -0.96555774 +1 -15.79354118 +1 4.68705164 +1 0.1948 H( 453 ALA 30) -2.71053228 +1 -15.86010531 +1 4.98458171 +1 0.1834 H( 454 ALA 30) -2.08414997 +1 -16.16092817 +1 3.35861993 +1 0.1836 H( 455 ALA* 30) -1.12866199 +1 -17.14929495 +1 6.68040625 +1 0.3273 N( 456 GLN* 31) 0.56300000 +0 -18.35000000 +0 4.02700000 +0 -0.4915 C( 457 GLN* 31) 1.56800000 +0 -19.04600000 +0 3.19200000 +0 -0.0312 C( 458 GLN* 31) 1.47300000 +0 -20.58700000 +0 3.32400000 +0 0.5485 O( 459 GLN* 31) 1.70400000 +0 -21.28700100 +0 2.33600000 +0 -0.6319 C( 460 GLN 31) 2.99000000 +0 -18.57799900 +0 3.53900000 +0 -0.2537 C( 461 GLN 31) 3.26400000 +0 -17.21299900 +0 2.90500000 +0 -0.4326 C( 462 GLN 31) 4.71200000 +0 -16.80999900 +0 3.03000000 +0 0.6272 N( 463 GLN 31) 5.62700000 +0 -17.45500000 +0 2.21500000 +0 -0.5690 O( 464 GLN 31) 5.10300000 +0 -15.92500000 +0 3.79100000 +0 -0.6148 H( 465 GLN* 31) 1.35344106 +1 -18.81941197 +1 2.09716634 +1 0.1974 H( 466 GLN 31) 3.13291506 +1 -18.53480774 +1 4.64146618 +1 0.1658 H( 467 GLN 31) 3.71966734 +1 -19.33167960 +1 3.17199254 +1 0.1610 H( 468 GLN 31) 2.62952635 +1 -16.43274161 +1 3.38785803 +1 0.1949 H( 469 GLN 31) 2.94245720 +1 -17.21048683 +1 1.83104148 +1 0.2163 H( 470 GLN 31) 6.61274126 +1 -17.24315804 +1 2.29474228 +1 0.2806 H( 471 GLN 31) 5.37767888 +1 -18.20525705 +1 1.59032739 +1 0.2789 H( 472 GLN* 31) 0.91195783 +1 -17.78441123 +1 4.82005419 +1 0.3225 N( 473 ALA* 32) 1.12400000 +0 -21.13600000 +0 4.53300000 +0 -0.4612 C( 474 ALA* 32) 0.84000000 +0 -22.58799900 +0 4.68300000 +0 0.0227 C( 475 ALA* 32) -0.32500000 +0 -23.07399900 +0 3.78000000 +0 0.5394 O( 476 ALA* 32) -0.34800000 +0 -24.21900000 +0 3.36100000 +0 -0.5394 C( 477 ALA 32) 0.49200000 +0 -22.89900000 +0 6.13400000 +0 -0.5114 H( 478 ALA* 32) 1.75165124 +1 -23.16525126 +1 4.35144778 +1 0.1805 H( 479 ALA 32) -0.39160425 +1 -22.32937046 +1 6.47061842 +1 0.1862 H( 480 ALA 32) 1.32488397 +1 -22.67395320 +1 6.81013651 +1 0.1664 H( 481 ALA 32) 0.25725968 +1 -23.96812289 +1 6.25365978 +1 0.1835 H( 482 ALA* 32) 0.90210416 +1 -20.54294448 +1 5.34950914 +1 0.3144 N( 483 LEU* 33) -1.31300000 +0 -22.15399900 +0 3.45400000 +0 -0.5104 C( 484 LEU* 33) -2.40100000 +0 -22.49000000 +0 2.51200000 +0 0.0214 C( 485 LEU* 33) -1.97100000 +0 -22.34100000 +0 1.03000000 +0 0.5534 O( 486 LEU* 33) -2.83000000 +0 -22.45500000 +0 0.15000000 +0 -0.6355 C( 487 LEU 33) -3.60700000 +0 -21.56399900 +0 2.75100000 +0 -0.3502 C( 488 LEU 33) -4.56700000 +0 -22.07600000 +0 3.84600000 +0 0.0454 C( 489 LEU 33) -5.80900000 +0 -21.17600100 +0 3.89600000 +0 -0.5168 C( 490 LEU 33) -3.89500000 +0 -22.13999900 +0 5.22100000 +0 -0.5097 H( 491 LEU* 33) -2.68695198 +1 -23.57601762 +1 2.63986101 +1 0.1844 H( 492 LEU 33) -3.25812583 +1 -20.53653860 +1 2.98901929 +1 0.1658 H( 493 LEU 33) -4.18318309 +1 -21.45522461 +1 1.79431436 +1 0.1753 H( 494 LEU 33) -4.89641186 +1 -23.10915996 +1 3.56703596 +1 0.1155 H( 495 LEU 33) -5.55646747 +1 -20.13975183 +1 4.13545770 +1 0.1425 H( 496 LEU 33) -6.52086861 +1 -21.52773500 +1 4.65052422 +1 0.1520 H( 497 LEU 33) -6.35146531 +1 -21.16992962 +1 2.93662749 +1 0.1799 H( 498 LEU 33) -3.42123155 +1 -21.18754231 +1 5.49319756 +1 0.1619 H( 499 LEU 33) -4.61994118 +1 -22.38759554 +1 6.00270686 +1 0.1459 H( 500 LEU 33) -3.11194563 +1 -22.90533251 +1 5.25104913 +1 0.1556 H( 501 LEU* 33) -1.38079492 +1 -21.23762643 +1 3.91788357 +1 0.3118 N( 502 GLY* 34) -0.65200000 +0 -22.08900100 +0 0.70700000 +0 -0.4460 C( 503 GLY* 34) -0.22900000 +0 -21.81600000 +0 -0.67200000 +0 -0.2383 C( 504 GLY* 34) -0.35400000 +0 -20.35400000 +0 -1.09400000 +0 0.6094 O( 505 GLY* 34) -0.31600000 +0 -20.04800000 +0 -2.28700000 +0 -0.6394 H( 506 GLY* 34) 0.85800846 +1 -22.09358066 +1 -0.79649578 +1 0.2183 H( 507 GLY* 34) -0.80396808 +1 -22.44433844 +1 -1.40883186 +1 0.2110 H( 508 GLY* 34) 0.09544881 +1 -22.05070666 +1 1.41583793 +1 0.3157 N( 509 TRP* 35) -0.44400000 +0 -19.37299900 +0 -0.11600000 +0 -0.4987 C( 510 TRP* 35) -0.39500000 +0 -17.94300100 +0 -0.47700000 +0 -0.0113 C( 511 TRP* 35) 1.08300000 +0 -17.58300000 +0 -0.76300000 +0 0.5868 O( 512 TRP* 35) 2.00100000 +0 -17.77000000 +0 0.03400000 +0 -0.6321 C( 513 TRP 35) -0.88900000 +0 -17.05400100 +0 0.68100000 +0 -0.2760 C( 514 TRP 35) -0.68600000 +0 -15.61200000 +0 0.40200000 +0 -0.1105 C( 515 TRP 35) -0.02800000 +0 -14.66900000 +0 1.27600000 +0 -0.0796 C( 516 TRP 35) 0.60300000 +0 -14.76100000 +0 2.53200000 +0 -0.1077 C( 517 TRP 35) 1.15000000 +0 -13.62100000 +0 3.09300000 +0 -0.2082 C( 518 TRP 35) 1.09700000 +0 -12.36700000 +0 2.42600000 +0 -0.1048 C( 519 TRP 35) 0.49500000 +0 -12.23300000 +0 1.18900000 +0 -0.2290 C( 520 TRP 35) -0.07400000 +0 -13.39200000 +0 0.61800000 +0 0.0717 N( 521 TRP 35) -0.71000000 +0 -13.57000000 +0 -0.62000000 +0 -0.2624 C( 522 TRP 35) -1.09100000 +0 -14.91900000 +0 -0.73200000 +0 -0.0852 H( 523 TRP* 35) -1.02919555 +1 -17.76688130 +1 -1.39579290 +1 0.1845 H( 524 TRP 35) -0.35822237 +1 -17.33188425 +1 1.61777144 +1 0.1687 H( 525 TRP 35) -1.96709412 +1 -17.27129474 +1 0.87257008 +1 0.1754 H( 526 TRP 35) 0.65649820 +1 -15.72078427 +1 3.04684121 +1 0.1556 H( 527 TRP 35) 1.63589695 +1 -13.67561317 +1 4.06679497 +1 0.1530 H( 528 TRP 35) 1.55467955 +1 -11.50156350 +1 2.90342708 +1 0.1400 H( 529 TRP 35) -1.58018797 +1 -15.30009166 +1 -1.61963990 +1 0.1900 H( 530 TRP 35) -0.96328333 +1 -12.82594700 +1 -1.25689579 +1 0.2897 H( 531 TRP 35) 0.46451900 +1 -11.28231261 +1 0.66432184 +1 0.1615 H( 532 TRP* 35) -0.51676523 +1 -19.59765857 +1 0.88896197 +1 0.3202 N( 533 VAL* 36) 1.29300000 +0 -16.98300000 +0 -1.99300000 +0 -0.4839 C( 534 VAL* 36) 2.63700000 +0 -16.54900000 +0 -2.41100000 +0 -0.0701 C( 535 VAL* 36) 2.48500000 +0 -15.03400000 +0 -2.65200000 +0 0.5764 O( 536 VAL* 36) 2.00100000 +0 -14.56000000 +0 -3.68100000 +0 -0.6435 C( 537 VAL 36) 3.12400000 +0 -17.25200100 +0 -3.71000000 +0 -0.0074 C( 538 VAL 36) 3.05800000 +0 -18.76899900 +0 -3.55500000 +0 -0.5007 C( 539 VAL 36) 4.54600000 +0 -16.78700100 +0 -4.03500000 +0 -0.5059 H( 540 VAL* 36) 3.37133973 +1 -16.76766732 +1 -1.58377670 +1 0.1843 H( 541 VAL 36) 2.44029504 +1 -16.93434506 +1 -4.54870788 +1 0.1404 H( 542 VAL 36) 3.63664215 +1 -19.13066062 +1 -2.69425965 +1 0.1699 H( 543 VAL 36) 2.02825520 +1 -19.12936016 +1 -3.40687344 +1 0.1764 H( 544 VAL 36) 3.45083924 +1 -19.27972700 +1 -4.44213740 +1 0.1605 H( 545 VAL 36) 4.61340190 +1 -15.70374828 +1 -4.18105802 +1 0.1477 H( 546 VAL 36) 5.26065421 +1 -17.06680142 +1 -3.25097963 +1 0.1614 H( 547 VAL 36) 4.90417999 +1 -17.25964920 +1 -4.95985568 +1 0.1661 H( 548 VAL* 36) 0.53548150 +1 -16.92096749 +1 -2.70020859 +1 0.3270 N( 549 ALA* 37) 2.97600000 +0 -14.19900000 +0 -1.65900000 +0 -0.4938 C( 550 ALA* 37) 2.69700000 +0 -12.73600000 +0 -1.64600000 +0 0.0196 C( 551 ALA* 37) 2.79000000 +0 -12.11900000 +0 -3.05800000 +0 0.5734 O( 552 ALA* 37) 1.88900000 +0 -11.38100000 +0 -3.48600000 +0 -0.6499 C( 553 ALA 37) 3.66700000 +0 -12.04500000 +0 -0.70100000 +0 -0.5286 H( 554 ALA* 37) 1.63410830 +1 -12.56109061 +1 -1.29157028 +1 0.1790 H( 555 ALA 37) 3.59822824 +1 -10.93999182 +1 -0.77476193 +1 0.2162 H( 556 ALA 37) 3.41246836 +1 -12.24665293 +1 0.35301266 +1 0.1898 H( 557 ALA 37) 4.71321614 +1 -12.32402830 +1 -0.85795711 +1 0.1704 H( 558 ALA* 37) 3.24492199 +1 -14.58351594 +1 -0.74681217 +1 0.2992 N( 559 SER* 38) 3.90800000 +0 -12.37100000 +0 -3.81900000 +0 -0.4218 C( 560 SER* 38) 4.11900000 +0 -11.73800000 +0 -5.13300000 +0 -0.1317 C( 561 SER* 38) 3.09400000 +0 -12.13900000 +0 -6.21100000 +0 0.5631 O( 562 SER* 38) 2.77100000 +0 -11.32000000 +0 -7.06800000 +0 -0.5994 C( 563 SER 38) 5.55100000 +0 -12.05300000 +0 -5.62000000 +0 -0.0134 O( 564 SER 38) 5.82400000 +0 -13.44900000 +0 -5.47800000 +0 -0.5420 H( 565 SER* 38) 4.01469091 +1 -10.60169263 +1 -5.00765775 +1 0.2358 H( 566 SER 38) 6.31010738 +1 -11.57412876 +1 -4.96634976 +1 0.1716 H( 567 SER 38) 5.70470305 +1 -11.72170545 +1 -6.66296907 +1 0.1467 H( 568 SER 38) 5.38993446 +1 -13.96317218 +1 -6.19585642 +1 0.3194 H( 569 SER* 38) 4.61136675 +1 -13.06123515 +1 -3.53180978 +1 0.3064 N( 570 LYS* 39) 2.63200000 +0 -13.44900000 +0 -6.26200000 +0 -0.4809 C( 571 LYS* 39) 1.52500000 +0 -13.79400000 +0 -7.19000000 +0 -0.0290 C( 572 LYS* 39) 0.16000000 +0 -13.24600000 +0 -6.72600000 +0 0.5732 O( 573 LYS* 39) -0.72600000 +0 -12.99100000 +0 -7.53400000 +0 -0.5915 C( 574 LYS 39) 1.44400000 +0 -15.30600000 +0 -7.43600000 +0 -0.2969 C( 575 LYS 39) 0.83700000 +0 -16.12299900 +0 -6.29200000 +0 -0.2532 C( 576 LYS 39) 0.74900000 +0 -17.61800000 +0 -6.63100000 +0 -0.2719 C( 577 LYS 39) -0.24800000 +0 -17.94199900 +0 -7.75700000 +0 -0.1384 N( 578 LYS 39) 0.40000000 +0 -17.81300000 +0 -9.09800000 +0 -0.5321 H( 579 LYS* 39) 1.73344055 +1 -13.27358295 +1 -8.17787008 +1 0.1928 H( 580 LYS 39) 0.84321933 +1 -15.48100824 +1 -8.36403123 +1 0.1993 H( 581 LYS 39) 2.45045586 +1 -15.69702371 +1 -7.68862293 +1 0.1603 H( 582 LYS 39) 1.44597443 +1 -16.00099925 +1 -5.36129915 +1 0.1476 H( 583 LYS 39) -0.17178201 +1 -15.74527177 +1 -6.03718829 +1 0.1331 H( 584 LYS 39) 0.44507821 +1 -18.17268095 +1 -5.71828783 +1 0.1418 H( 585 LYS 39) 1.75430749 +1 -18.00540808 +1 -6.89029704 +1 0.1431 H( 586 LYS 39) -0.67487026 +1 -18.95521234 +1 -7.58257015 +1 0.1113 H( 587 LYS 39) -1.10314320 +1 -17.23063902 +1 -7.72843704 +1 0.1370 H( 588 LYS 39) 1.18243122 +1 -18.45783080 +1 -9.17634575 +1 0.2063 H( 589 LYS 39) -0.26056962 +1 -18.06813770 +1 -9.82860248 +1 0.2079 H( 590 LYS* 39) 2.76297896 +1 -14.08893529 +1 -5.46249478 +1 0.3100 N( 591 GLY* 40) -0.04900000 +0 -13.04800000 +0 -5.36200000 +0 -0.4770 C( 592 GLY* 40) -1.17000000 +0 -12.21400000 +0 -4.91800000 +0 -0.2256 C( 593 GLY* 40) -2.43900000 +0 -12.97600000 +0 -4.55400000 +0 0.5785 O( 594 GLY* 40) -3.50900000 +0 -12.35100000 +0 -4.49100000 +0 -0.6542 H( 595 GLY* 40) -0.86406712 +1 -11.58587904 +1 -4.04254341 +1 0.1699 H( 596 GLY* 40) -1.45650788 +1 -11.47839516 +1 -5.72907883 +1 0.2200 H( 597 GLY* 40) 0.67215575 +1 -13.25593758 +1 -4.65708140 +1 0.3123 N( 598 ASN* 41) -2.38700000 +0 -14.31100000 +0 -4.24700000 +0 -0.4619 C( 599 ASN* 41) -3.61700000 +0 -15.11500000 +0 -4.08700000 +0 0.0119 C( 600 ASN* 41) -4.13100000 +0 -15.15900000 +0 -2.62500000 +0 0.5590 O( 601 ASN* 41) -4.66800000 +0 -16.19100000 +0 -2.21100000 +0 -0.6440 C( 602 ASN 41) -3.37000000 +0 -16.55400100 +0 -4.57800000 +0 -0.4332 C( 603 ASN 41) -2.15400000 +0 -17.21800000 +0 -3.95800000 +0 0.6220 N( 604 ASN 41) -2.00100000 +0 -18.56500100 +0 -4.10800000 +0 -0.5343 O( 605 ASN 41) -1.26400000 +0 -16.55999900 +0 -3.38900000 +0 -0.6834 H( 606 ASN* 41) -4.45831878 +1 -14.65527194 +1 -4.70520231 +1 0.2051 H( 607 ASN 41) -4.29332059 +1 -17.15316366 +1 -4.36245571 +1 0.1963 H( 608 ASN 41) -3.25809877 +1 -16.55108844 +1 -5.68586056 +1 0.1987 H( 609 ASN 41) -1.21403081 +1 -19.04560600 +1 -3.64569023 +1 0.3193 H( 610 ASN 41) -2.71173054 +1 -19.20820792 +1 -4.46493875 +1 0.3094 H( 611 ASN* 41) -1.48530773 +1 -14.82361082 +1 -4.14940518 +1 0.3349 N( 612 LEU* 42) -4.02400000 +0 -14.03000000 +0 -1.84700000 +0 -0.4626 C( 613 LEU* 42) -4.36300000 +0 -14.05000000 +0 -0.39700000 +0 -0.0115 C( 614 LEU* 42) -5.80400000 +0 -14.54600000 +0 -0.15200000 +0 0.5720 O( 615 LEU* 42) -6.00900000 +0 -15.47500000 +0 0.62800000 +0 -0.6242 C( 616 LEU 42) -4.17600000 +0 -12.65900000 +0 0.22000000 +0 -0.3609 C( 617 LEU 42) -4.37800000 +0 -12.66400000 +0 1.75600000 +0 0.0498 C( 618 LEU 42) -4.21800000 +0 -11.23800000 +0 2.29600000 +0 -0.5161 C( 619 LEU 42) -3.40500000 +0 -13.62500000 +0 2.44300000 +0 -0.5245 H( 620 LEU* 42) -3.67835773 +1 -14.79696715 +1 0.10831422 +1 0.1872 H( 621 LEU 42) -3.16108509 +1 -12.28080801 +1 -0.01292065 +1 0.1573 H( 622 LEU 42) -4.89372440 +1 -11.93553043 +1 -0.22934926 +1 0.1713 H( 623 LEU 42) -5.42540268 +1 -13.00405510 +1 1.97234849 +1 0.1280 H( 624 LEU 42) -3.20032706 +1 -10.86061122 +1 2.16059027 +1 0.1469 H( 625 LEU 42) -4.43643448 +1 -11.19778408 +1 3.37637586 +1 0.1676 H( 626 LEU 42) -4.91226938 +1 -10.54181537 +1 1.81134291 +1 0.1574 H( 627 LEU 42) -2.36598095 +1 -13.44405258 +1 2.14027853 +1 0.1650 H( 628 LEU 42) -3.44252091 +1 -13.51805058 +1 3.54000244 +1 0.1594 H( 629 LEU 42) -3.64729701 +1 -14.66916486 +1 2.21136133 +1 0.1570 H( 630 LEU* 42) -3.75803632 +1 -13.11786082 +1 -2.24698731 +1 0.3117 N( 631 ALA* 43) -6.82600000 +0 -13.93500000 +0 -0.84600000 +0 -0.4719 C( 632 ALA* 43) -8.22900000 +0 -14.35400000 +0 -0.64300000 +0 0.0025 C( 633 ALA* 43) -8.69300000 +0 -15.39700000 +0 -1.68700000 +0 0.5599 O( 634 ALA* 43) -9.86800000 +0 -15.67600000 +0 -1.84400000 +0 -0.5413 C( 635 ALA 43) -9.14900000 +0 -13.14500000 +0 -0.67600000 +0 -0.4771 H( 636 ALA* 43) -8.31896147 +1 -14.86168956 +1 0.37418138 +1 0.2038 H( 637 ALA 43) -9.04967600 +1 -12.54669180 +1 -1.59541843 +1 0.1519 H( 638 ALA 43) -8.91578184 +1 -12.46386400 +1 0.17127009 +1 0.1884 H( 639 ALA 43) -10.20623077 +1 -13.43287070 +1 -0.58464512 +1 0.1835 H( 640 ALA* 43) -6.66389092 +1 -13.10551802 +1 -1.44000269 +1 0.3199 N( 641 ASP* 44) -7.69300000 +0 -16.01499900 +0 -2.45600000 +0 -0.5386 C( 642 ASP* 44) -7.95200000 +0 -17.25400000 +0 -3.20800000 +0 0.0088 C( 643 ASP* 44) -7.79000000 +0 -18.49399900 +0 -2.28200000 +0 0.5301 O( 644 ASP* 44) -8.69500000 +0 -19.29600000 +0 -2.14800000 +0 -0.5218 C( 645 ASP 44) -6.98100000 +0 -17.36100000 +0 -4.40000000 +0 -0.4345 C( 646 ASP 44) -7.17700000 +0 -16.23100100 +0 -5.36400000 +0 0.6903 O( 647 ASP 44) -8.19900000 +0 -16.49700000 +0 -6.22500000 +0 -0.4929 O( 648 ASP 44) -6.54200000 +0 -15.19900000 +0 -5.47400000 +0 -0.5923 H( 649 ASP* 44) -9.02613753 +1 -17.25455549 +1 -3.56790328 +1 0.2052 H( 650 ASP 44) -5.91381491 +1 -17.35763094 +1 -4.04881933 +1 0.2024 H( 651 ASP 44) -7.14334562 +1 -18.34121746 +1 -4.90976180 +1 0.2139 H( 652 ASP 44) -8.37465227 +1 -15.76111928 +1 -6.87692411 +1 0.3471 H( 653 ASP* 44) -6.69827622 +1 -15.83762961 +1 -2.25230619 +1 0.3013 N( 654 VAL* 45) -6.55000000 +0 -18.64800100 +0 -1.66900000 +0 -0.4886 C( 655 VAL* 45) -6.36500000 +0 -19.66400000 +0 -0.60900000 +0 -0.0722 C( 656 VAL* 45) -7.14900000 +0 -19.33900100 +0 0.68100000 +0 0.5544 O( 657 VAL* 45) -7.61800000 +0 -20.22400100 +0 1.38200000 +0 -0.5646 C( 658 VAL 45) -4.85700000 +0 -19.85600100 +0 -0.28200000 +0 -0.0014 C( 659 VAL 45) -4.23100000 +0 -18.59900100 +0 0.32200000 +0 -0.5236 C( 660 VAL 45) -4.10700000 +0 -20.30200000 +0 -1.53800000 +0 -0.4787 H( 661 VAL* 45) -6.79183252 +1 -20.64386230 +1 -0.98391748 +1 0.1940 H( 662 VAL 45) -4.78695149 +1 -20.68969212 +1 0.48178297 +1 0.1485 H( 663 VAL 45) -4.70732793 +1 -18.30905385 +1 1.26555360 +1 0.1591 H( 664 VAL 45) -3.16621106 +1 -18.75943126 +1 0.54281028 +1 0.1674 H( 665 VAL 45) -4.29240390 +1 -17.73401479 +1 -0.35602040 +1 0.1699 H( 666 VAL 45) -4.06507378 +1 -19.52396350 +1 -2.30502469 +1 0.1482 H( 667 VAL 45) -3.07109001 +1 -20.57838028 +1 -1.28954569 +1 0.1644 H( 668 VAL 45) -4.57007828 +1 -21.19031432 +1 -1.98613201 +1 0.1572 H( 669 VAL* 45) -5.83299562 +1 -17.91121944 +1 -1.70909840 +1 0.3023 N( 670 ALA* 46) -7.36700000 +0 -17.99500100 +0 0.98500000 +0 -0.5193 C( 671 ALA* 46) -8.04800000 +0 -17.62500000 +0 2.24600000 +0 0.0355 C( 672 ALA* 46) -9.27300000 +0 -16.75799900 +0 1.89000000 +0 0.5282 O( 673 ALA* 46) -9.36300000 +0 -15.56800000 +0 2.24700000 +0 -0.6948 C( 674 ALA 46) -7.09700000 +0 -16.85199900 +0 3.15200000 +0 -0.5197 H( 675 ALA* 46) -8.40820345 +1 -18.56155121 +1 2.76902110 +1 0.1786 H( 676 ALA 46) -7.63187937 +1 -16.36503629 +1 3.98915542 +1 0.1761 H( 677 ALA 46) -6.32174820 +1 -17.50450225 +1 3.56614847 +1 0.1618 H( 678 ALA 46) -6.58722810 +1 -16.03249962 +1 2.60946908 +1 0.2013 H( 679 ALA* 46) -6.80230431 +1 -17.24225501 +1 0.55739874 +1 0.3157 N( 680 PRO* 47) -10.30300000 +0 -17.30200000 +0 1.17200000 +0 -0.3309 C( 681 PRO* 47) -11.51400000 +0 -16.50000000 +0 0.81600000 +0 -0.0308 C( 682 PRO* 47) -12.23700000 +0 -16.05800100 +0 2.10600000 +0 0.5487 O( 683 PRO* 47) -12.87600000 +0 -16.81200000 +0 2.81800000 +0 -0.5347 C( 684 PRO 47) -12.40300000 +0 -17.45400000 +0 -0.00900000 +0 -0.2617 C( 685 PRO 47) -11.89300000 +0 -18.87400100 +0 0.29100000 +0 -0.2732 C( 686 PRO 47) -10.41700000 +0 -18.71299900 +0 0.68500000 +0 -0.0828 H( 687 PRO* 47) -11.19389926 +1 -15.61938303 +1 0.19385377 +1 0.1770 H( 688 PRO 47) -13.47153571 +1 -17.34877694 +1 0.24953731 +1 0.1572 H( 689 PRO 47) -12.30150382 +1 -17.21915082 +1 -1.08638994 +1 0.1602 H( 690 PRO 47) -12.47491914 +1 -19.32624613 +1 1.11710783 +1 0.1564 H( 691 PRO 47) -12.00214809 +1 -19.53920270 +1 -0.58270301 +1 0.1546 H( 692 PRO 47) -10.09826528 +1 -19.42999146 +1 1.47020161 +1 0.1534 H( 693 PRO 47) -9.74827625 +1 -18.85647041 +1 -0.19993602 +1 0.1695 N( 694 GLY* 48) -12.19800000 +0 -14.67800000 +0 2.36400000 +0 -0.4795 C( 695 GLY* 48) -12.76600000 +0 -14.16600000 +0 3.62000000 +0 -0.2152 C( 696 GLY* 48) -11.78500000 +0 -13.94200000 +0 4.77200000 +0 0.5932 O( 697 GLY* 48) -12.11400000 +0 -13.21600000 +0 5.71800000 +0 -0.6681 H( 698 GLY* 48) -13.56546194 +1 -14.86552622 +1 3.99097562 +1 0.2065 H( 699 GLY* 48) -13.27093858 +1 -13.18966818 +1 3.41124817 +1 0.1870 H( 700 GLY* 48) -11.47068340 +1 -14.07552620 +1 1.94332976 +1 0.3070 N( 701 LYS* 49) -10.54700000 +0 -14.54700000 +0 4.73900000 +0 -0.4764 C( 702 LYS* 49) -9.61900000 +0 -14.47300000 +0 5.88900000 +0 -0.0215 C( 703 LYS* 49) -8.55800000 +0 -13.40200000 +0 5.52700000 +0 0.5652 O( 704 LYS* 49) -7.73700000 +0 -13.56700000 +0 4.62600000 +0 -0.6293 C( 705 LYS 49) -8.90400000 +0 -15.80800000 +0 6.13400000 +0 -0.3101 C( 706 LYS 49) -9.81800000 +0 -16.92000000 +0 6.65600000 +0 -0.2477 C( 707 LYS 49) -10.14300000 +0 -16.77500000 +0 8.14500000 +0 -0.3125 C( 708 LYS 49) -10.86100000 +0 -18.00400000 +0 8.72800000 +0 -0.1498 N( 709 LYS 49) -9.97100000 +0 -19.10899900 +0 9.17700000 +0 -0.5343 H( 710 LYS* 49) -10.19686198 +1 -14.17194364 +1 6.81565392 +1 0.2008 H( 711 LYS 49) -8.05194441 +1 -15.64309566 +1 6.84126160 +1 0.1614 H( 712 LYS 49) -8.41554363 +1 -16.14371197 +1 5.18251548 +1 0.1603 H( 713 LYS 49) -9.32810311 +1 -17.89746956 +1 6.47403014 +1 0.1333 H( 714 LYS 49) -10.75788404 +1 -16.94941524 +1 6.06608214 +1 0.1515 H( 715 LYS 49) -9.21607218 +1 -16.56365874 +1 8.72511803 +1 0.1442 H( 716 LYS 49) -10.79201381 +1 -15.88337361 +1 8.30416691 +1 0.1381 H( 717 LYS 49) -11.45700555 +1 -17.68242950 +1 9.62209862 +1 0.1626 H( 718 LYS 49) -11.59945804 +1 -18.40997071 +1 8.00395118 +1 0.1432 H( 719 LYS 49) -9.58676258 +1 -19.60328119 +1 8.37623678 +1 0.2070 H( 720 LYS 49) -9.17742926 +1 -18.73664424 +1 9.69428772 +1 0.2070 H( 721 LYS* 49) -10.20986643 +1 -15.07470390 +1 3.91477590 +1 0.3229 N( 722 SER* 50) -8.63100000 +0 -12.22200000 +0 6.24100000 +0 -0.4644 C( 723 SER* 50) -7.63300000 +0 -11.14600000 +0 6.08100000 +0 -0.0989 C( 724 SER* 50) -6.52100000 +0 -11.36800000 +0 7.12200000 +0 0.5722 O( 725 SER* 50) -6.65600000 +0 -12.13500000 +0 8.07100000 +0 -0.6165 C( 726 SER 50) -8.31800000 +0 -9.77900000 +0 6.28300000 +0 -0.0106 O( 727 SER 50) -8.74700000 +0 -9.29900000 +0 5.00400000 +0 -0.6368 H( 728 SER* 50) -7.18587000 +1 -11.19389512 +1 5.04108671 +1 0.2041 H( 729 SER 50) -9.18993065 +1 -9.83880877 +1 6.97101244 +1 0.1669 H( 730 SER 50) -7.61604584 +1 -9.00151491 +1 6.64545504 +1 0.1563 H( 731 SER 50) -9.55232442 +1 -9.88397469 +1 4.66756686 +1 0.3747 H( 732 SER* 50) -9.19846537 +1 -12.16080540 +1 7.10977238 +1 0.3273 N( 733 ILE* 51) -5.35600000 +0 -10.64200000 +0 6.95200000 +0 -0.4838 C( 734 ILE* 51) -4.16100000 +0 -11.00700000 +0 7.74200000 +0 -0.0735 C( 735 ILE* 51) -4.20000000 +0 -10.27300000 +0 9.09900000 +0 0.5819 O( 736 ILE* 51) -4.12100000 +0 -9.04500000 +0 9.21500000 +0 -0.6637 C( 737 ILE 51) -2.85000000 +0 -10.64200000 +0 6.99700000 +0 -0.0472 C( 738 ILE 51) -1.67300000 +0 -10.89200000 +0 7.94000000 +0 -0.5026 C( 739 ILE 51) -2.70400000 +0 -11.44300000 +0 5.68900000 +0 -0.2554 C( 740 ILE 51) -2.49100000 +0 -12.93900000 +0 5.89900000 +0 -0.4647 H( 741 ILE* 51) -4.17414603 +1 -12.13348686 +1 7.91736368 +1 0.2129 H( 742 ILE 51) -2.87417176 +1 -9.54600399 +1 6.74002274 +1 0.1571 H( 743 ILE 51) -1.64233802 +1 -10.14245086 +1 8.75343422 +1 0.1659 H( 744 ILE 51) -1.73284273 +1 -11.89291070 +1 8.39370633 +1 0.1732 H( 745 ILE 51) -0.71422019 +1 -10.81935107 +1 7.39958678 +1 0.1448 H( 746 ILE 51) -1.85733929 +1 -11.02389447 +1 5.10882769 +1 0.1340 H( 747 ILE 51) -3.59806669 +1 -11.28240785 +1 5.04464447 +1 0.1424 H( 748 ILE 51) -1.46901766 +1 -13.17377491 +1 6.23211839 +1 0.1400 H( 749 ILE 51) -3.17586856 +1 -13.34621926 +1 6.65966944 +1 0.1699 H( 750 ILE 51) -2.67304430 +1 -13.48685761 +1 4.95943007 +1 0.1483 H( 751 ILE* 51) -5.20972065 +1 -10.04346255 +1 6.12103414 +1 0.3159 N( 752 GLY* 52) -4.38500000 +0 -11.06200000 +0 10.21700000 +0 -0.4115 C( 753 GLY* 52) -4.19200000 +0 -10.50700000 +0 11.56900000 +0 -0.2527 C( 754 GLY* 52) -3.08900000 +0 -11.26600000 +0 12.29300000 +0 0.6130 O( 755 GLY* 52) -2.68600000 +0 -12.36600000 +0 11.91500000 +0 -0.6339 H( 756 GLY* 52) -3.99386639 +1 -9.39991463 +1 11.52759104 +1 0.2092 H( 757 GLY* 52) -5.14534385 +1 -10.64894578 +1 12.16451350 +1 0.2098 H( 758 GLY* 52) -4.36318042 +1 -12.09334245 +1 10.15255128 +1 0.3167 N( 759 GLY* 53) -2.61900000 +0 -10.70400000 +0 13.47000000 +0 -0.4549 C( 760 GLY* 53) -1.71200000 +0 -11.46400000 +0 14.33800000 +0 -0.2519 C( 761 GLY* 53) -0.22800000 +0 -11.21900000 +0 14.12600000 +0 0.6006 O( 762 GLY* 53) 0.59800000 +0 -11.70500000 +0 14.90700000 +0 -0.6487 H( 763 GLY* 53) -1.96181029 +1 -11.25480275 +1 15.42999561 +1 0.2431 H( 764 GLY* 53) -1.89228948 +1 -12.57093762 +1 14.20862152 +1 0.2031 H( 765 GLY* 53) -2.83326941 +1 -9.74002477 +1 13.74672996 +1 0.3070 N( 766 ASP* 54) 0.18200000 +0 -10.49400000 +0 13.02300000 +0 -0.4905 C( 767 ASP* 54) 1.60900000 +0 -10.21400000 +0 12.77900000 +0 -0.0034 C( 768 ASP* 54) 2.04800000 +0 -9.01500000 +0 13.66300000 +0 0.5497 O( 769 ASP* 54) 1.42900000 +0 -7.95400000 +0 13.69900000 +0 -0.6237 C( 770 ASP 54) 1.81700000 +0 -9.84700000 +0 11.30800000 +0 -0.4275 C( 771 ASP 54) 1.46500000 +0 -10.97900000 +0 10.39900000 +0 0.7235 O( 772 ASP 54) 0.77200000 +0 -10.50700000 +0 9.32800000 +0 -0.5453 O( 773 ASP 54) 1.72100000 +0 -12.17100000 +0 10.46900000 +0 -0.6153 H( 774 ASP* 54) 2.21463583 +1 -11.14274705 +1 13.02424442 +1 0.2064 H( 775 ASP 54) 2.87217762 +1 -9.54026070 +1 11.11056867 +1 0.2148 H( 776 ASP 54) 1.19482097 +1 -8.94631194 +1 11.04076592 +1 0.2321 H( 777 ASP 54) 0.58550078 +1 -11.20042317 +1 8.59502086 +1 0.3657 H( 778 ASP* 54) -0.49620691 +1 -9.99970137 +1 12.40350021 +1 0.3371 N( 779 ILE* 55) 3.20800000 +0 -9.21400000 +0 14.37500000 +0 -0.4505 C( 780 ILE* 55) 3.69000000 +0 -8.20600000 +0 15.34700000 +0 -0.0689 C( 781 ILE* 55) 4.45500000 +0 -7.11700000 +0 14.56600000 +0 0.6025 O( 782 ILE* 55) 5.10200000 +0 -7.31800000 +0 13.53600000 +0 -0.6448 C( 783 ILE 55) 4.57000000 +0 -8.89300000 +0 16.43499900 +0 -0.0283 C( 784 ILE 55) 5.57100000 +0 -7.91000000 +0 17.04600000 +0 -0.5116 C( 785 ILE 55) 3.67600000 +0 -9.47200000 +0 17.55400100 +0 -0.2613 C( 786 ILE 55) 2.93100000 +0 -10.73600000 +0 17.15099900 +0 -0.4727 H( 787 ILE* 55) 2.79381009 +1 -7.71944732 +1 15.85605010 +1 0.2059 H( 788 ILE 55) 5.14551570 +1 -9.72513360 +1 15.95587140 +1 0.1332 H( 789 ILE 55) 5.06576685 +1 -7.04490985 +1 17.50131715 +1 0.1747 H( 790 ILE 55) 6.15638057 +1 -8.39239154 +1 17.84036114 +1 0.1640 H( 791 ILE 55) 6.29727406 +1 -7.53933299 +1 16.31409341 +1 0.1572 H( 792 ILE 55) 4.30547980 +1 -9.69468496 +1 18.44033462 +1 0.1426 H( 793 ILE 55) 2.95967845 +1 -8.69306802 +1 17.89532773 +1 0.1532 H( 794 ILE 55) 2.37881886 +1 -11.16339566 +1 18.00343202 +1 0.1696 H( 795 ILE 55) 3.61437913 +1 -11.51512483 +1 16.79743139 +1 0.1416 H( 796 ILE 55) 2.18274116 +1 -10.55933770 +1 16.36691671 +1 0.1563 H( 797 ILE* 55) 3.67178452 +1 -10.14225309 +1 14.40062066 +1 0.3209 N( 798 PHE* 56) 4.36000000 +0 -5.85200000 +0 15.11700000 +0 -0.5030 C( 799 PHE* 56) 5.05300000 +0 -4.68000000 +0 14.55300000 +0 -0.0136 C( 800 PHE* 56) 5.95800000 +0 -4.13300000 +0 15.68200000 +0 0.5717 O( 801 PHE* 56) 5.52700000 +0 -3.76800000 +0 16.77000000 +0 -0.6035 C( 802 PHE 56) 4.04800000 +0 -3.60000000 +0 14.11800000 +0 -0.3409 C( 803 PHE 56) 4.71900000 +0 -2.38100000 +0 13.54800000 +0 0.0720 C( 804 PHE 56) 4.55700000 +0 -1.13800000 +0 14.17700000 +0 -0.2155 C( 805 PHE 56) 5.13600000 +0 0.00900000 +0 13.62800000 +0 -0.1202 C( 806 PHE 56) 5.89000000 +0 -0.08200000 +0 12.45500000 +0 -0.1928 C( 807 PHE 56) 6.06700000 +0 -1.32100000 +0 11.83200000 +0 -0.1131 C( 808 PHE 56) 5.48400000 +0 -2.46900000 +0 12.37400000 +0 -0.2343 H( 809 PHE* 56) 5.66070705 +1 -5.00351009 +1 13.65414068 +1 0.1800 H( 810 PHE 56) 3.39334929 +1 -3.32719370 +1 14.97509197 +1 0.1725 H( 811 PHE 56) 3.36024452 +1 -4.03479563 +1 13.35508450 +1 0.1839 H( 812 PHE 56) 3.95782630 +1 -1.06015755 +1 15.08616400 +1 0.1624 H( 813 PHE 56) 5.60240367 +1 -3.43533003 +1 11.87085997 +1 0.1745 H( 814 PHE 56) 6.64780908 +1 -1.38894195 +1 10.91253238 +1 0.1476 H( 815 PHE 56) 6.31936114 +1 0.82731864 +1 12.01582019 +1 0.1590 H( 816 PHE 56) 4.99966938 +1 0.98126438 +1 14.11601125 +1 0.1715 H( 817 PHE* 56) 3.83467846 +1 -5.68995894 +1 16.00406637 +1 0.3335 N( 818 SER* 57) 7.30500000 +0 -4.08600000 +0 15.36400000 +0 -0.5107 C( 819 SER* 57) 8.30900000 +0 -3.63300000 +0 16.33900100 +0 -0.1282 C( 820 SER* 57) 8.16400000 +0 -2.14000000 +0 16.67100000 +0 0.5994 O( 821 SER* 57) 8.28200000 +0 -1.73400000 +0 17.82500100 +0 -0.6309 C( 822 SER 57) 9.74200000 +0 -3.91300000 +0 15.84300000 +0 -0.0063 O( 823 SER 57) 10.08500000 +0 -3.06600000 +0 14.74500000 +0 -0.5691 H( 824 SER* 57) 8.15860972 +1 -4.19628726 +1 17.33898648 +1 0.2502 H( 825 SER 57) 10.48131097 +1 -3.64788256 +1 16.62698432 +1 0.1643 H( 826 SER 57) 9.87189688 +1 -4.97632528 +1 15.56946835 +1 0.1443 H( 827 SER 57) 9.73923932 +1 -3.44326458 +1 13.89086362 +1 0.3398 H( 828 SER* 57) 7.65022086 +1 -4.33271877 +1 14.40882845 +1 0.3220 N( 829 ASN* 58) 7.96000000 +0 -1.25800000 +0 15.61800000 +0 -0.4825 C( 830 ASN* 58) 7.72200000 +0 0.18100000 +0 15.81800000 +0 0.0164 C( 831 ASN* 58) 8.96000000 +0 0.93400000 +0 16.35800000 +0 0.5375 O( 832 ASN* 58) 8.81500000 +0 2.06000000 +0 16.83099900 +0 -0.5966 C( 833 ASN 58) 6.55400000 +0 0.43800000 +0 16.78400000 +0 -0.4504 C( 834 ASN 58) 6.19200000 +0 1.91000000 +0 16.79000100 +0 0.6546 N( 835 ASN 58) 6.00500000 +0 2.51200000 +0 18.01400000 +0 -0.5604 O( 836 ASN 58) 5.97400000 +0 2.52300000 +0 15.73800000 +0 -0.6620 H( 837 ASN* 58) 7.47050369 +1 0.64240024 +1 14.81234096 +1 0.1896 H( 838 ASN 58) 6.80060910 +1 0.04580324 +1 17.80112731 +1 0.2009 H( 839 ASN 58) 5.65868311 +1 -0.14654122 +1 16.46664244 +1 0.2071 H( 840 ASN 58) 6.29608341 +1 2.07868764 +1 18.88101162 +1 0.2860 H( 841 ASN 58) 5.79525593 +1 3.51769770 +1 18.07343908 +1 0.3154 H( 842 ASN* 58) 7.84105945 +1 -1.60933682 +1 14.66411835 +1 0.3021 N( 843 ARG* 59) 10.23500000 +0 0.41100000 +0 16.20999900 +0 -0.4756 C( 844 ARG* 59) 11.35000000 +0 1.11100000 +0 16.90200000 +0 -0.0390 C( 845 ARG* 59) 11.95200000 +0 2.26500000 +0 16.05400100 +0 0.5517 O( 846 ARG* 59) 13.00500000 +0 2.78400000 +0 16.37000100 +0 -0.5114 C( 847 ARG 59) 12.45200000 +0 0.14400000 +0 17.35100000 +0 -0.2936 C( 848 ARG 59) 12.02700000 +0 -0.88600000 +0 18.40300000 +0 -0.2814 C( 849 ARG 59) 11.41100000 +0 -0.30800000 +0 19.69000100 +0 -0.0924 N( 850 ARG 59) 9.96700000 +0 -0.01500000 +0 19.47400100 +0 -0.5168 C( 851 ARG 59) 8.99300000 +0 0.01200000 +0 20.50600100 +0 0.5278 N( 852 ARG 59) 7.69700000 +0 0.00100000 +0 20.22699900 +0 -0.7488 N( 853 ARG 59) 9.42500000 +0 0.09300000 +0 21.84300000 +0 -0.5246 H( 854 ARG* 59) 10.92498797 +1 1.64406137 +1 17.81574869 +1 0.2051 H( 855 ARG 59) 13.29589272 +1 0.76137128 +1 17.74658719 +1 0.1846 H( 856 ARG 59) 12.88011847 +1 -0.38559244 +1 16.47413493 +1 0.1557 H( 857 ARG 59) 12.92491271 +1 -1.47946828 +1 18.68402097 +1 0.1562 H( 858 ARG 59) 11.33155719 +1 -1.62517625 +1 17.95260483 +1 0.1442 H( 859 ARG 59) 11.56069599 +1 -1.02662254 +1 20.52860034 +1 0.1395 H( 860 ARG 59) 11.91755785 +1 0.64146650 +1 19.97812808 +1 0.1462 H( 861 ARG 59) 9.60885038 +1 -0.46294877 +1 18.60845423 +1 0.2855 H( 862 ARG 59) 7.43103016 +1 -0.27459353 +1 19.27338682 +1 0.2575 H( 863 ARG 59) 10.25271766 +1 0.64500746 +1 22.03197979 +1 0.2583 H( 864 ARG 59) 8.69484087 +1 0.23472848 +1 22.54964539 +1 0.2891 H( 865 ARG* 59) 10.41006442 +1 -0.53139765 +1 15.85469214 +1 0.3028 N( 866 GLU* 60) 11.20400000 +0 2.73100000 +0 14.96800000 +0 -0.5177 C( 867 GLU* 60) 11.38800000 +0 4.09200000 +0 14.42300000 +0 -0.0052 C( 868 GLU* 60) 10.67100000 +0 5.17100000 +0 15.28000000 +0 0.5487 O( 869 GLU* 60) 11.09800000 +0 6.31700000 +0 15.33500000 +0 -0.5790 C( 870 GLU 60) 10.80400000 +0 4.19300000 +0 13.00800000 +0 -0.3101 C( 871 GLU 60) 11.57900000 +0 3.36500000 +0 11.98400000 +0 -0.3657 C( 872 GLU 60) 10.71500000 +0 3.03300000 +0 10.80900000 +0 0.6730 O( 873 GLU 60) 11.48800000 +0 2.80400000 +0 9.70000000 +0 -0.5173 O( 874 GLU 60) 9.50800000 +0 2.91700000 +0 10.72500000 +0 -0.5786 H( 875 GLU* 60) 12.49097080 +1 4.34416356 +1 14.43046337 +1 0.2017 H( 876 GLU 60) 10.82938793 +1 5.27698343 +1 12.67196142 +1 0.2299 H( 877 GLU 60) 9.72904485 +1 3.91723467 +1 13.00124740 +1 0.1594 H( 878 GLU 60) 12.48308408 +1 3.93056086 +1 11.64255812 +1 0.2141 H( 879 GLU 60) 11.97776922 +1 2.42328391 +1 12.42298625 +1 0.1920 H( 880 GLU 60) 10.95707609 +1 2.60326601 +1 8.88412852 +1 0.3398 H( 881 GLU* 60) 10.36066136 +1 2.25384478 +1 14.66127309 +1 0.2753 N( 882 GLY* 61) 9.46800000 +0 4.82300000 +0 15.89100000 +0 -0.4690 C( 883 GLY* 61) 8.73100000 +0 5.81600000 +0 16.69100000 +0 -0.2325 C( 884 GLY* 61) 7.61600000 +0 6.46800000 +0 15.86000000 +0 0.5929 O( 885 GLY* 61) 7.54100000 +0 7.69100000 +0 15.76400000 +0 -0.6153 H( 886 GLY* 61) 9.42072546 +1 6.63332486 +1 17.03605414 +1 0.2037 H( 887 GLY* 61) 8.30111001 +1 5.34777944 +1 17.60680219 +1 0.1807 H( 888 GLY* 61) 9.19292268 +1 3.84478520 +1 16.04078162 +1 0.3054 N( 889 LYS* 62) 6.69000000 +0 5.63300000 +0 15.26500000 +0 -0.4722 C( 890 LYS* 62) 5.59200000 +0 6.17100000 +0 14.42600000 +0 -0.0378 C( 891 LYS* 62) 4.22400000 +0 5.93500000 +0 15.10600000 +0 0.5836 O( 892 LYS* 62) 3.36800000 +0 6.81100000 +0 15.10600000 +0 -0.6061 C( 893 LYS 62) 5.65100000 +0 5.62200000 +0 12.99500000 +0 -0.3156 C( 894 LYS 62) 5.47100000 +0 4.10600000 +0 12.85200000 +0 -0.2529 C( 895 LYS 62) 6.33400000 +0 3.51600000 +0 11.73200000 +0 -0.3154 C( 896 LYS 62) 6.00300000 +0 4.13700000 +0 10.36500000 +0 -0.1548 N( 897 LYS 62) 6.86200000 +0 3.65200000 +0 9.24800000 +0 -0.5534 H( 898 LYS* 62) 5.70781174 +1 7.30060095 +1 14.37647497 +1 0.1960 H( 899 LYS 62) 6.62285591 +1 5.93096724 +1 12.55240760 +1 0.1638 H( 900 LYS 62) 4.87651938 +1 6.14732416 +1 12.38201961 +1 0.1850 H( 901 LYS 62) 5.71491021 +1 3.57973344 +1 13.79977065 +1 0.1502 H( 902 LYS 62) 4.39601099 +1 3.87684986 +1 12.66053985 +1 0.1362 H( 903 LYS 62) 7.41198462 +1 3.66454069 +1 11.95638202 +1 0.1560 H( 904 LYS 62) 6.19460552 +1 2.41226321 +1 11.69837612 +1 0.1289 H( 905 LYS 62) 6.12023283 +1 5.24454679 +1 10.41536244 +1 0.1482 H( 906 LYS 62) 4.93372765 +1 3.95660289 +1 10.10602444 +1 0.1511 H( 907 LYS 62) 7.85185024 +1 3.74347800 +1 9.50610820 +1 0.2353 H( 908 LYS 62) 6.71169735 +1 2.65485759 +1 9.10260117 +1 0.2033 H( 909 LYS* 62) 6.77992463 +1 4.61039735 +1 15.30280561 +1 0.3021 N( 910 LEU* 63) 3.97800000 +0 4.69100000 +0 15.68300000 +0 -0.4796 C( 911 LEU* 63) 2.99200000 +0 4.56200000 +0 16.77700000 +0 0.0034 C( 912 LEU* 63) 3.67700000 +0 5.04800000 +0 18.08000000 +0 0.5245 O( 913 LEU* 63) 4.91000000 +0 5.19400000 +0 18.11500000 +0 -0.6671 C( 914 LEU 63) 2.60800000 +0 3.08600000 +0 16.97400100 +0 -0.3527 C( 915 LEU 63) 1.77300000 +0 2.53100000 +0 15.80200000 +0 0.0488 C( 916 LEU 63) 0.30200000 +0 2.93000000 +0 15.95100000 +0 -0.5146 C( 917 LEU 63) 1.91800000 +0 1.00700000 +0 15.75000000 +0 -0.5226 H( 918 LEU* 63) 2.09444917 +1 5.19801109 +1 16.54245900 +1 0.1816 H( 919 LEU 63) 2.04311775 +1 2.95787493 +1 17.92454933 +1 0.1689 H( 920 LEU 63) 3.51971819 +1 2.46935475 +1 17.10664043 +1 0.1622 H( 921 LEU 63) 2.16121756 +1 2.95679109 +1 14.84084866 +1 0.1302 H( 922 LEU 63) 0.18008145 +1 4.01744938 +1 15.99877810 +1 0.1542 H( 923 LEU 63) -0.14116576 +1 2.50715200 +1 16.86090095 +1 0.1576 H( 924 LEU 63) -0.28356545 +1 2.57929186 +1 15.09469676 +1 0.1529 H( 925 LEU 63) 2.96233349 +1 0.70457185 +1 15.62015153 +1 0.1462 H( 926 LEU 63) 1.55114939 +1 0.53428334 +1 16.67213005 +1 0.1708 H( 927 LEU 63) 1.34418764 +1 0.58302743 +1 14.90953967 +1 0.1540 H( 928 LEU* 63) 4.72647792 +1 3.97317748 +1 15.69564039 +1 0.3093 N( 929 PRO* 64) 2.92300000 +0 5.28900000 +0 19.19899900 +0 -0.3538 C( 930 PRO* 64) 3.54500000 +0 5.56000000 +0 20.52599900 +0 -0.0278 C( 931 PRO* 64) 4.13900000 +0 4.23500000 +0 21.06100100 +0 0.5658 O( 932 PRO* 64) 3.46700000 +0 3.25300000 +0 21.36899900 +0 -0.6258 C( 933 PRO 64) 2.39000000 +0 6.06400000 +0 21.40600000 +0 -0.2803 C( 934 PRO 64) 1.08800000 +0 5.58200000 +0 20.74300000 +0 -0.2624 C( 935 PRO 64) 1.43500000 +0 5.16900000 +0 19.30299900 +0 -0.0881 H( 936 PRO* 64) 4.34986334 +1 6.34336292 +1 20.41836041 +1 0.1919 H( 937 PRO 64) 2.41512635 +1 7.16777394 +1 21.47227169 +1 0.1553 H( 938 PRO 64) 2.47064632 +1 5.70478282 +1 22.45479736 +1 0.1899 H( 939 PRO 64) 0.31246331 +1 6.37406418 +1 20.75478568 +1 0.1558 H( 940 PRO 64) 0.65428018 +1 4.73367426 +1 21.30885465 +1 0.1651 H( 941 PRO 64) 1.12228163 +1 4.12122116 +1 19.08561397 +1 0.1453 H( 942 PRO 64) 0.95331651 +1 5.83448630 +1 18.55596941 +1 0.1418 N( 943 GLY* 65) 5.52600000 +0 4.17800000 +0 21.08600000 +0 -0.4411 C( 944 GLY* 65) 6.20000000 +0 2.97600000 +0 21.59800000 +0 -0.2494 C( 945 GLY* 65) 6.46800000 +0 3.08600000 +0 23.10000000 +0 0.5846 O( 946 GLY* 65) 6.85200000 +0 4.10100000 +0 23.65700000 +0 -0.5473 H( 947 GLY* 65) 7.17465432 +1 2.83542105 +1 21.07218038 +1 0.1818 H( 948 GLY* 65) 5.57306100 +1 2.07133387 +1 21.36331942 +1 0.2064 H( 949 GLY* 65) 6.10839396 +1 5.02739116 +1 20.98774757 +1 0.3215 N( 950 LYS* 66) 6.27500000 +0 1.89800000 +0 23.80400100 +0 -0.5292 C( 951 LYS* 66) 6.47400000 +0 1.86300000 +0 25.26300000 +0 -0.0264 C( 952 LYS* 66) 7.56100000 +0 0.81500000 +0 25.57200100 +0 0.5632 O( 953 LYS* 66) 7.95500000 +0 -0.03900000 +0 24.78200000 +0 -0.6208 C( 954 LYS 66) 5.16500000 +0 1.53000000 +0 26.00400000 +0 -0.3124 C( 955 LYS 66) 5.08300000 +0 2.17200000 +0 27.38999900 +0 -0.2653 C( 956 LYS 66) 4.79700000 +0 3.67700000 +0 27.32000000 +0 -0.2759 C( 957 LYS 66) 4.36400000 +0 4.24800000 +0 28.67900100 +0 -0.1422 N( 958 LYS 66) 2.90600000 +0 3.98800000 +0 28.91200100 +0 -0.5561 H( 959 LYS* 66) 6.84325739 +1 2.88642132 +1 25.59014096 +1 0.2003 H( 960 LYS 66) 5.01603708 +1 0.43020503 +1 26.08385360 +1 0.1529 H( 961 LYS 66) 4.30305870 +1 1.87640433 +1 25.39050035 +1 0.1744 H( 962 LYS 66) 6.01399245 +1 1.98392514 +1 27.96919728 +1 0.1363 H( 963 LYS 66) 4.27510082 +1 1.66608369 +1 27.96763557 +1 0.1645 H( 964 LYS 66) 5.69095594 +1 4.22170702 +1 26.95681824 +1 0.1437 H( 965 LYS 66) 4.00890508 +1 3.88145335 +1 26.56349895 +1 0.1556 H( 966 LYS 66) 5.00444173 +1 3.84065979 +1 29.49022600 +1 0.1209 H( 967 LYS 66) 4.51352269 +1 5.35185231 +1 28.68436199 +1 0.1392 H( 968 LYS 66) 2.66720219 +1 4.18504601 +1 29.88206907 +1 0.2162 H( 969 LYS 66) 2.69413389 +1 2.98377561 +1 28.76352794 +1 0.2583 H( 970 LYS* 66) 5.91006820 +1 1.03783203 +1 23.34713174 +1 0.3205 N( 971 SER* 67) 8.13300000 +0 0.93600000 +0 26.84100000 +0 -0.4965 C( 972 SER* 67) 9.20400000 +0 0.01100000 +0 27.26800000 +0 -0.1118 C( 973 SER* 67) 8.56900000 +0 -1.36000000 +0 27.59300000 +0 0.5481 O( 974 SER* 67) 8.10600000 +0 -1.64500000 +0 28.69000100 +0 -0.5617 C( 975 SER 67) 9.94200000 +0 0.56700000 +0 28.50499900 +0 -0.0101 O( 976 SER 67) 10.98400000 +0 1.44300000 +0 28.08000000 +0 -0.5280 H( 977 SER* 67) 9.95531506 +1 -0.08576224 +1 26.43024871 +1 0.1920 H( 978 SER 67) 10.48548362 +1 -0.23563714 +1 29.04469226 +1 0.1680 H( 979 SER 67) 9.26266875 +1 1.08699379 +1 29.21139386 +1 0.1545 H( 980 SER 67) 10.60745944 +1 2.26295922 +1 27.69111715 +1 0.3148 H( 981 SER* 67) 7.59970091 +1 1.38972715 +1 27.61491281 +1 0.3175 N( 982 GLY* 68) 8.58100000 +0 -2.26000000 +0 26.53599900 +0 -0.4518 C( 983 GLY* 68) 7.88600000 +0 -3.55100000 +0 26.64500000 +0 -0.2405 C( 984 GLY* 68) 6.45600000 +0 -3.57900000 +0 26.09800000 +0 0.5862 O( 985 GLY* 68) 5.64100000 +0 -4.36100000 +0 26.56600000 +0 -0.5693 H( 986 GLY* 68) 7.83336163 +1 -3.86069833 +1 27.72741233 +1 0.2178 H( 987 GLY* 68) 8.47999340 +1 -4.34242750 +1 26.12593360 +1 0.1866 H( 988 GLY* 68) 8.81615703 +1 -1.93762854 +1 25.58864735 +1 0.2981 N( 989 ARG* 69) 6.15400000 +0 -2.76700000 +0 25.00799900 +0 -0.5025 C( 990 ARG* 69) 4.78600000 +0 -2.73900000 +0 24.44599900 +0 -0.0404 C( 991 ARG* 69) 4.84900000 +0 -3.41000000 +0 23.05500000 +0 0.5678 O( 992 ARG* 69) 5.22500000 +0 -2.80800000 +0 22.03599900 +0 -0.6693 C( 993 ARG 69) 4.27300000 +0 -1.30000000 +0 24.30699900 +0 -0.2936 C( 994 ARG 69) 2.92800000 +0 -1.23500000 +0 23.57600000 +0 -0.2837 C( 995 ARG 69) 2.48500000 +0 0.21400000 +0 23.32799900 +0 -0.1013 N( 996 ARG 69) 2.00400000 +0 0.76200000 +0 24.62400100 +0 -0.4819 C( 997 ARG 69) 1.68800000 +0 2.09900000 +0 24.78900000 +0 0.5315 N( 998 ARG 69) 1.21200000 +0 2.48700000 +0 26.01700000 +0 -0.5528 N( 999 ARG 69) 1.88700000 +0 3.04900000 +0 23.80699900 +0 -0.5717 H( 1000 ARG* 69) 4.07623414 +1 -3.31191907 +1 25.13067765 +1 0.2231 H( 1001 ARG 69) 4.16970716 +1 -0.84902643 +1 25.32155004 +1 0.1656 H( 1002 ARG 69) 5.02323809 +1 -0.67336199 +1 23.76981572 +1 0.1584 H( 1003 ARG 69) 2.15475894 +1 -1.77861196 +1 24.17077874 +1 0.1755 H( 1004 ARG 69) 2.98263340 +1 -1.75901215 +1 22.59753945 +1 0.1582 H( 1005 ARG 69) 3.33188810 +1 0.82419043 +1 22.93220905 +1 0.1540 H( 1006 ARG 69) 1.67834414 +1 0.24337777 +1 22.55493947 +1 0.1436 H( 1007 ARG 69) 1.42913719 +1 0.04250533 +1 25.20390945 +1 0.3670 H( 1008 ARG 69) 1.04565342 +1 3.48412398 +1 26.23749918 +1 0.3242 H( 1009 ARG 69) 1.90639800 +1 4.07339819 +1 24.06455873 +1 0.3346 H( 1010 ARG 69) 2.42715131 +1 2.82372849 +1 22.96561629 +1 0.3087 H( 1011 ARG* 69) 6.79806974 +1 -2.04932745 +1 24.66042553 +1 0.2992 N( 1012 THR* 70) 4.39100000 +0 -4.70100000 +0 22.99399900 +0 -0.4248 C( 1013 THR* 70) 4.23700000 +0 -5.37000000 +0 21.68700000 +0 -0.1594 C( 1014 THR* 70) 3.02600000 +0 -4.74600000 +0 20.95900000 +0 0.6066 O( 1015 THR* 70) 2.00100000 +0 -4.37700000 +0 21.51700000 +0 -0.6093 C( 1016 THR 70) 4.01900000 +0 -6.90000000 +0 21.88200000 +0 0.2300 C( 1017 THR 70) 3.81100000 +0 -7.62400000 +0 20.56600000 +0 -0.5824 O( 1018 THR 70) 5.15800000 +0 -7.41700000 +0 22.57300000 +0 -0.5650 H( 1019 THR* 70) 5.17955770 +1 -5.21031972 +1 21.07978621 +1 0.1989 H( 1020 THR 70) 3.18143791 +1 -7.10069490 +1 22.61503055 +1 0.1717 H( 1021 THR 70) 4.60907016 +1 -7.44591300 +1 19.83849505 +1 0.1664 H( 1022 THR 70) 3.75232442 +1 -8.71336151 +1 20.74498266 +1 0.2071 H( 1023 THR 70) 2.86061036 +1 -7.35392939 +1 20.08554391 +1 0.1859 H( 1024 THR 70) 5.92017951 +1 -7.55505385 +1 21.97836484 +1 0.3195 H( 1025 THR* 70) 4.20563324 +1 -5.28075770 +1 23.84125472 +1 0.3386 N( 1026 TRP* 71) 3.18200000 +0 -4.66600000 +0 19.58300000 +0 -0.4835 C( 1027 TRP* 71) 2.10300000 +0 -4.20200000 +0 18.69599900 +0 -0.0130 C( 1028 TRP* 71) 1.78000000 +0 -5.38400000 +0 17.75300000 +0 0.5586 O( 1029 TRP* 71) 2.64300000 +0 -6.15700000 +0 17.32500100 +0 -0.6518 C( 1030 TRP 71) 2.53200000 +0 -2.99500000 +0 17.83300000 +0 -0.2979 C( 1031 TRP 71) 2.62400000 +0 -1.74900000 +0 18.63100100 +0 -0.0865 C( 1032 TRP 71) 1.53000000 +0 -0.86700000 +0 18.95800000 +0 -0.0975 C( 1033 TRP 71) 0.14100000 +0 -0.90000000 +0 18.72200000 +0 -0.1181 C( 1034 TRP 71) -0.64000000 +0 0.13500000 +0 19.20299900 +0 -0.2201 C( 1035 TRP 71) -0.06600000 +0 1.23300000 +0 19.90200000 +0 -0.1133 C( 1036 TRP 71) 1.29100000 +0 1.30600000 +0 20.14900000 +0 -0.2306 C( 1037 TRP 71) 2.08900000 +0 0.23300000 +0 19.69400000 +0 0.0835 N( 1038 TRP 71) 3.47300000 +0 0.02800000 +0 19.79800000 +0 -0.2556 C( 1039 TRP 71) 3.77500000 +0 -1.20700000 +0 19.19100000 +0 -0.0984 H( 1040 TRP* 71) 1.19610818 +1 -3.92403674 +1 19.31945627 +1 0.2060 H( 1041 TRP 71) 3.51040143 +1 -3.21122658 +1 17.33850732 +1 0.1795 H( 1042 TRP 71) 1.79410737 +1 -2.84873680 +1 17.00446013 +1 0.1582 H( 1043 TRP 71) -0.29348163 +1 -1.74026522 +1 18.18405844 +1 0.1513 H( 1044 TRP 71) -1.72336175 +1 0.11463607 +1 19.06452082 +1 0.1653 H( 1045 TRP 71) -0.72423403 +1 2.02989526 +1 20.24866766 +1 0.1455 H( 1046 TRP 71) 4.77697954 +1 -1.59596376 +1 19.19193664 +1 0.1615 H( 1047 TRP 71) 4.09965405 +1 0.52328283 +1 20.44035687 +1 0.3082 H( 1048 TRP 71) 1.74635484 +1 2.15184529 +1 20.67010750 +1 0.1891 H( 1049 TRP* 71) 4.08208367 +1 -4.87785794 +1 19.13073527 +1 0.3077 N( 1050 ARG* 72) 0.46700000 +0 -5.49200000 +0 17.36300100 +0 -0.4705 C( 1051 ARG* 72) -0.00100000 +0 -6.56400000 +0 16.45400000 +0 -0.0275 C( 1052 ARG* 72) -0.87100000 +0 -5.84200000 +0 15.40600000 +0 0.5743 O( 1053 ARG* 72) -1.45800000 +0 -4.78700000 +0 15.65400000 +0 -0.6311 C( 1054 ARG 72) -0.84400000 +0 -7.59900000 +0 17.21600000 +0 -0.3040 C( 1055 ARG 72) 0.02300000 +0 -8.55000000 +0 18.04100000 +0 -0.3069 C( 1056 ARG 72) -0.83600000 +0 -9.32400000 +0 19.05900000 +0 -0.0867 N( 1057 ARG 72) -0.03000000 +0 -10.23100000 +0 19.90200000 +0 -0.5248 C( 1058 ARG 72) 0.70200000 +0 -9.72400000 +0 21.02599900 +0 0.5335 N( 1059 ARG 72) 1.85200000 +0 -10.22900000 +0 21.44199900 +0 -0.7626 N( 1060 ARG 72) 0.07300000 +0 -8.73600000 +0 21.79400100 +0 -0.5437 H( 1061 ARG* 72) 0.88682512 +1 -7.05900025 +1 15.95830505 +1 0.1887 H( 1062 ARG 72) -1.55506356 +1 -7.06873812 +1 17.89602690 +1 0.1841 H( 1063 ARG 72) -1.47885442 +1 -8.17098489 +1 16.50825079 +1 0.1605 H( 1064 ARG 72) 0.80743158 +1 -7.98141911 +1 18.58207741 +1 0.1508 H( 1065 ARG 72) 0.56195544 +1 -9.25712588 +1 17.38076223 +1 0.1474 H( 1066 ARG 72) -1.42570881 +1 -8.61461128 +1 19.69668192 +1 0.1794 H( 1067 ARG 72) -1.59854110 +1 -9.95041991 +1 18.53014321 +1 0.1188 H( 1068 ARG 72) 0.44987494 +1 -10.96565565 +1 19.35223491 +1 0.2887 H( 1069 ARG 72) 2.20750487 +1 -11.05421078 +1 20.96969849 +1 0.2511 H( 1070 ARG 72) 0.59192450 +1 -8.31102836 +1 22.56122268 +1 0.2948 H( 1071 ARG 72) -0.63444611 +1 -8.13506459 +1 21.36546582 +1 0.2939 H( 1072 ARG* 72) -0.28618506 +1 -4.93937479 +1 17.82418373 +1 0.3305 N( 1073 GLU* 73) -0.98500000 +0 -6.42600000 +0 14.15700000 +0 -0.4644 C( 1074 GLU* 73) -1.66600000 +0 -5.69000000 +0 13.07700000 +0 -0.0572 C( 1075 GLU* 73) -2.76900000 +0 -6.57700000 +0 12.47100000 +0 0.5824 O( 1076 GLU* 73) -2.84500000 +0 -7.80100000 +0 12.63600000 +0 -0.6662 C( 1077 GLU 73) -0.69600000 +0 -5.21700000 +0 11.97700000 +0 -0.2467 C( 1078 GLU 73) -0.01900000 +0 -6.35400000 +0 11.21200000 +0 -0.4234 C( 1079 GLU 73) 0.67300000 +0 -5.86200000 +0 9.98200000 +0 0.6939 O( 1080 GLU 73) 1.46100000 +0 -4.78700000 +0 10.23900000 +0 -0.5328 O( 1081 GLU 73) 0.60500000 +0 -6.30300000 +0 8.84300000 +0 -0.6263 H( 1082 GLU* 73) -2.16250492 +1 -4.75962801 +1 13.53323176 +1 0.2305 H( 1083 GLU 73) 0.08245247 +1 -4.56560540 +1 12.43602606 +1 0.1728 H( 1084 GLU 73) -1.25153541 +1 -4.55796912 +1 11.27570919 +1 0.1535 H( 1085 GLU 73) 0.71481928 +1 -6.87590412 +1 11.88177410 +1 0.2198 H( 1086 GLU 73) -0.75468993 +1 -7.15378442 +1 10.92020792 +1 0.2249 H( 1087 GLU 73) 1.90817961 +1 -4.40253057 +1 9.40587881 +1 0.3676 H( 1088 GLU* 73) -0.43696473 +1 -7.25680479 +1 13.88513869 +1 0.3197 N( 1089 ALA* 74) -3.68000000 +0 -5.90900000 +0 11.68500000 +0 -0.4753 C( 1090 ALA* 74) -4.72000000 +0 -6.63900000 +0 10.92400000 +0 0.0081 C( 1091 ALA* 74) -4.95900000 +0 -5.84400000 +0 9.62300000 +0 0.5758 O( 1092 ALA* 74) -5.03500000 +0 -4.61000000 +0 9.61400000 +0 -0.6644 C( 1093 ALA 74) -6.02900000 +0 -6.73000000 +0 11.69800000 +0 -0.5244 H( 1094 ALA* 74) -4.33468266 +1 -7.68804008 +1 10.69535539 +1 0.2085 H( 1095 ALA 74) -6.44743877 +1 -5.73381343 +1 11.93001320 +1 0.1716 H( 1096 ALA 74) -5.89154211 +1 -7.25769041 +1 12.65240899 +1 0.1754 H( 1097 ALA 74) -6.79362197 +1 -7.29128413 +1 11.13743164 +1 0.1940 H( 1098 ALA* 74) -3.75519056 +1 -4.87489016 +1 11.70651325 +1 0.3224 N( 1099 ASP* 75) -5.13600000 +0 -6.58500000 +0 8.47800000 +0 -0.4577 C( 1100 ASP* 75) -5.46900000 +0 -5.94700000 +0 7.18900000 +0 0.0318 C( 1101 ASP* 75) -6.98000000 +0 -5.60300000 +0 7.24100000 +0 0.5598 O( 1102 ASP* 75) -7.84300000 +0 -6.41700000 +0 7.59600000 +0 -0.6596 C( 1103 ASP 75) -5.27500000 +0 -6.88700000 +0 6.00100000 +0 -0.4961 C( 1104 ASP 75) -3.82400000 +0 -7.18600000 +0 5.65600000 +0 0.7618 O( 1105 ASP 75) -3.56800000 +0 -7.31100000 +0 4.41400000 +0 -0.8024 O( 1106 ASP 75) -2.97000000 +0 -7.35200000 +0 6.55100000 +0 -0.7318 H( 1107 ASP* 75) -4.84534419 +1 -5.00749652 +1 7.06390906 +1 0.1871 H( 1108 ASP 75) -5.79165998 +1 -7.86328451 +1 6.17222008 +1 0.2072 H( 1109 ASP 75) -5.77657480 +1 -6.46311016 +1 5.10057145 +1 0.1974 H( 1110 ASP* 75) -4.97083139 +1 -7.61276656 +1 8.45873575 +1 0.3363 N( 1111 ILE* 76) -7.31800000 +0 -4.34900000 +0 6.80600000 +0 -0.4506 C( 1112 ILE* 76) -8.67100000 +0 -3.80000000 +0 7.03900000 +0 -0.0873 C( 1113 ILE* 76) -9.24400000 +0 -3.46300000 +0 5.65900000 +0 0.5888 O( 1114 ILE* 76) -8.54600000 +0 -3.02000000 +0 4.75100000 +0 -0.6234 C( 1115 ILE 76) -8.58800000 +0 -2.52800000 +0 7.92700000 +0 -0.0239 C( 1116 ILE 76) -9.97800000 +0 -1.91800000 +0 8.05200000 +0 -0.5285 C( 1117 ILE 76) -7.96700000 +0 -2.86600000 +0 9.29800000 +0 -0.2627 C( 1118 ILE 76) -8.73600000 +0 -3.91700000 +0 10.08900000 +0 -0.4570 H( 1119 ILE* 76) -9.32349389 +1 -4.56755075 +1 7.56256340 +1 0.2135 H( 1120 ILE 76) -7.91419349 +1 -1.77737948 +1 7.42160584 +1 0.1137 H( 1121 ILE 76) -9.98226916 +1 -1.11176610 +1 8.79379953 +1 0.1776 H( 1122 ILE 76) -10.71558764 +1 -2.66802792 +1 8.38613905 +1 0.1855 H( 1123 ILE 76) -10.33855200 +1 -1.48407658 +1 7.11397333 +1 0.1552 H( 1124 ILE 76) -7.89870779 +1 -1.93111205 +1 9.89066106 +1 0.1389 H( 1125 ILE 76) -6.91839208 +1 -3.21039034 +1 9.16159619 +1 0.1489 H( 1126 ILE 76) -9.81487497 +1 -3.71234712 +1 10.10218749 +1 0.1632 H( 1127 ILE 76) -8.39403430 +1 -3.95846030 +1 11.12947351 +1 0.1457 H( 1128 ILE 76) -8.60895147 +1 -4.92621154 +1 9.66609074 +1 0.1475 H( 1129 ILE* 76) -6.60461719 +1 -3.68119637 +1 6.45604096 +1 0.3247 N( 1130 ASN* 77) -10.59100000 +0 -3.73500000 +0 5.46600000 +0 -0.5068 C( 1131 ASN* 77) -11.25800000 +0 -3.38800000 +0 4.19400000 +0 0.0376 C( 1132 ASN* 77) -10.68900000 +0 -4.23600000 +0 3.02900000 +0 0.5705 O( 1133 ASN* 77) -10.73700000 +0 -3.81700000 +0 1.86300000 +0 -0.6824 C( 1134 ASN 77) -11.11300000 +0 -1.89200000 +0 3.86100000 +0 -0.4627 C( 1135 ASN 77) -11.76200000 +0 -1.03000000 +0 4.91400000 +0 0.6402 N( 1136 ASN 77) -11.33300000 +0 0.27200000 +0 5.02200000 +0 -0.5624 O( 1137 ASN 77) -12.66300000 +0 -1.44000000 +0 5.66200000 +0 -0.6544 H( 1138 ASN* 77) -12.35523107 +1 -3.63883293 +1 4.29928971 +1 0.1863 H( 1139 ASN 77) -10.02167885 +1 -1.63224227 +1 3.75647724 +1 0.2313 H( 1140 ASN 77) -11.55899917 +1 -1.68123088 +1 2.86145452 +1 0.2005 H( 1141 ASN 77) -11.69526788 +1 0.86582995 +1 5.77011848 +1 0.2995 H( 1142 ASN 77) -10.55042103 +1 0.65661419 +1 4.49075055 +1 0.3026 H( 1143 ASN* 77) -11.20718165 +1 -3.98688223 +1 6.26633468 +1 0.3383 N( 1144 TYR* 78) -10.20100000 +0 -5.48500000 +0 3.31900000 +0 -0.4587 C( 1145 TYR* 78) -9.58200000 +0 -6.33500000 +0 2.28000000 +0 -0.0123 C( 1146 TYR* 78) -10.62800000 +0 -7.40900000 +0 1.89300000 +0 0.5935 O( 1147 TYR* 78) -11.32000000 +0 -8.01800000 +0 2.69900000 +0 -0.6106 C( 1148 TYR 78) -8.30300000 +0 -7.02000000 +0 2.80700000 +0 -0.3135 C( 1149 TYR 78) -7.79100000 +0 -8.03300000 +0 1.82100000 +0 -0.1011 C( 1150 TYR 78) -8.19200000 +0 -9.37800000 +0 1.91900000 +0 -0.0879 C( 1151 TYR 78) -7.78800000 +0 -10.30800000 +0 0.96800000 +0 -0.2968 C( 1152 TYR 78) -6.96500000 +0 -9.87600000 +0 -0.08500000 +0 0.3471 C( 1153 TYR 78) -6.51100000 +0 -8.55300000 +0 -0.18200000 +0 -0.3575 C( 1154 TYR 78) -6.92500000 +0 -7.64000000 +0 0.78900000 +0 -0.0516 O( 1155 TYR 78) -6.64500000 +0 -10.83800000 +0 -1.01000000 +0 -0.5403 H( 1156 TYR* 78) -9.31868330 +1 -5.69700594 +1 1.39013379 +1 0.1676 H( 1157 TYR 78) -7.52223252 +1 -6.24600091 +1 3.00416737 +1 0.1868 H( 1158 TYR 78) -8.50036636 +1 -7.50010082 +1 3.79631241 +1 0.1778 H( 1159 TYR 78) -8.83412030 +1 -9.69465352 +1 2.74678199 +1 0.1576 H( 1160 TYR 78) -6.56424932 +1 -6.60863977 +1 0.74802695 +1 0.1588 H( 1161 TYR 78) -5.86709461 +1 -8.23140021 +1 -1.00443437 +1 0.1971 H( 1162 TYR 78) -6.05614000 +1 -10.47469349 +1 -1.75633726 +1 0.3641 H( 1163 TYR 78) -8.09775538 +1 -11.36168311 +1 1.00842515 +1 0.1996 H( 1164 TYR* 78) -10.17369726 +1 -5.86687330 +1 4.30123917 +1 0.3440 N( 1165 THR* 79) -10.70400000 +0 -7.66000000 +0 0.52900000 +0 -0.4637 C( 1166 THR* 79) -11.65500000 +0 -8.63800000 +0 -0.02400000 +0 -0.1553 C( 1167 THR* 79) -10.85400000 +0 -9.73100000 +0 -0.76000000 +0 0.5871 O( 1168 THR* 79) -10.73900000 +0 -10.85900000 +0 -0.30100000 +0 -0.5821 C( 1169 THR 79) -12.72200000 +0 -7.94800000 +0 -0.93100000 +0 0.2205 C( 1170 THR 79) -13.51200000 +0 -8.96000000 +0 -1.74100000 +0 -0.5939 O( 1171 THR 79) -13.57200000 +0 -7.17000000 +0 -0.09000000 +0 -0.5504 H( 1172 THR* 79) -12.19358707 +1 -9.14432547 +1 0.83473024 +1 0.2056 H( 1173 THR 79) -12.26108186 +1 -7.16212465 +1 -1.57665454 +1 0.1412 H( 1174 THR 79) -14.41143865 +1 -8.49255583 +1 -2.16960309 +1 0.1909 H( 1175 THR 79) -13.84868188 +1 -9.82293193 +1 -1.15525778 +1 0.1762 H( 1176 THR 79) -12.94154757 +1 -9.35682420 +1 -2.60151740 +1 0.2061 H( 1177 THR 79) -14.19647046 +1 -7.73128982 +1 0.41629896 +1 0.3191 H( 1178 THR* 79) -10.10746739 +1 -7.17260754 +1 -0.13834843 +1 0.2870 N( 1179 SER* 80) -10.21400000 +0 -9.34200000 +0 -1.93400000 +0 -0.4514 C( 1180 SER* 80) -9.63700000 +0 -10.36900000 +0 -2.82800000 +0 -0.1322 C( 1181 SER* 80) -8.62600000 +0 -9.64700000 +0 -3.73700000 +0 0.5628 O( 1182 SER* 80) -8.87700000 +0 -8.55800000 +0 -4.23900000 +0 -0.5723 C( 1183 SER 80) -10.73500000 +0 -11.02200000 +0 -3.70000000 +0 -0.0291 O( 1184 SER 80) -11.61800000 +0 -10.03900000 +0 -4.24300000 +0 -0.5435 H( 1185 SER* 80) -9.13674530 +1 -11.16957795 +1 -2.18839265 +1 0.2061 H( 1186 SER 80) -11.40933318 +1 -11.65497652 +1 -3.08537566 +1 0.1724 H( 1187 SER 80) -10.30040998 +1 -11.62748880 +1 -4.51556528 +1 0.1367 H( 1188 SER 80) -11.11649114 +1 -9.39937837 +1 -4.80845723 +1 0.3278 H( 1189 SER* 80) -10.45603916 +1 -8.46471653 +1 -2.40850427 +1 0.2943 N( 1190 GLY* 81) -7.46400000 +0 -10.34300000 +0 -4.00200000 +0 -0.4668 C( 1191 GLY* 81) -6.41400000 +0 -9.74200000 +0 -4.83400000 +0 -0.2335 C( 1192 GLY* 81) -5.20000000 +0 -9.37400000 +0 -3.99000000 +0 0.6110 O( 1193 GLY* 81) -4.85900000 +0 -9.99700000 +0 -2.97200000 +0 -0.6706 H( 1194 GLY* 81) -6.82280484 +1 -8.86044224 +1 -5.39037606 +1 0.1983 H( 1195 GLY* 81) -6.08493504 +1 -10.50183374 +1 -5.60788363 +1 0.2252 H( 1196 GLY* 81) -7.23208829 +1 -11.27729717 +1 -3.58427001 +1 0.3335 N( 1197 PHE* 82) -4.39000000 +0 -8.35600000 +0 -4.45700000 +0 -0.4474 C( 1198 PHE* 82) -3.17800000 +0 -7.96300000 +0 -3.69500000 +0 -0.0112 C( 1199 PHE* 82) -3.60800000 +0 -7.18900000 +0 -2.42200000 +0 0.5409 O( 1200 PHE* 82) -4.74600000 +0 -6.79400000 +0 -2.23900000 +0 -0.5414 C( 1201 PHE 82) -2.23400000 +0 -7.14000000 +0 -4.58100000 +0 -0.3676 C( 1202 PHE 82) -1.40400000 +0 -8.04900000 +0 -5.44500000 +0 0.0891 C( 1203 PHE 82) -1.73400000 +0 -8.26000000 +0 -6.79100000 +0 -0.2140 C( 1204 PHE 82) -0.96100000 +0 -9.12600000 +0 -7.57100000 +0 -0.0987 C( 1205 PHE 82) 0.13900000 +0 -9.78400000 +0 -7.01400000 +0 -0.1836 C( 1206 PHE 82) 0.47400000 +0 -9.56700000 +0 -5.67300000 +0 -0.1208 C( 1207 PHE 82) -0.29700000 +0 -8.70900000 +0 -4.88900000 +0 -0.2501 H( 1208 PHE* 82) -2.65991753 +1 -8.90973184 +1 -3.35862377 +1 0.1727 H( 1209 PHE 82) -1.55078022 +1 -6.50768338 +1 -3.94542274 +1 0.2180 H( 1210 PHE 82) -2.78885753 +1 -6.39370861 +1 -5.18438185 +1 0.1690 H( 1211 PHE 82) -2.58464934 +1 -7.74742170 +1 -7.23379804 +1 0.1522 H( 1212 PHE 82) -0.01420539 +1 -8.52295244 +1 -3.84449509 +1 0.1673 H( 1213 PHE 82) 1.33703621 +1 -10.07777396 +1 -5.23324833 +1 0.1646 H( 1214 PHE 82) 0.73792675 +1 -10.46862058 +1 -7.62093140 +1 0.1726 H( 1215 PHE 82) -1.21857997 +1 -9.28878404 +1 -8.61745096 +1 0.1488 H( 1216 PHE* 82) -4.70950720 +1 -7.69977499 +1 -5.16878445 +1 0.2911 N( 1217 ARG* 83) -2.63000000 +0 -7.09300000 +0 -1.43100000 +0 -0.5004 C( 1218 ARG* 83) -2.96200000 +0 -6.41800000 +0 -0.15500000 +0 -0.0184 C( 1219 ARG* 83) -3.14400000 +0 -4.89600000 +0 -0.37900000 +0 0.5773 O( 1220 ARG* 83) -2.40400000 +0 -4.21200000 +0 -1.09400000 +0 -0.6566 C( 1221 ARG 83) -1.85200000 +0 -6.63900000 +0 0.88400000 +0 -0.3090 C( 1222 ARG 83) -1.95900000 +0 -8.01900000 +0 1.54100000 +0 -0.2697 C( 1223 ARG 83) -0.72300000 +0 -8.34300000 +0 2.39300000 +0 -0.1003 N( 1224 ARG 83) -0.97800000 +0 -8.02800000 +0 3.82300000 +0 -0.4551 C( 1225 ARG 83) 0.02400000 +0 -7.72000000 +0 4.70300000 +0 0.5204 N( 1226 ARG 83) -0.29800000 +0 -7.38400000 +0 5.98100000 +0 -0.4814 N( 1227 ARG 83) 1.40100000 +0 -7.95100000 +0 4.41000000 +0 -0.5431 H( 1228 ARG* 83) -3.93799301 +1 -6.85384279 +1 0.21713912 +1 0.1855 H( 1229 ARG 83) -1.89092964 +1 -5.84380704 +1 1.66207626 +1 0.1776 H( 1230 ARG 83) -0.84810140 +1 -6.50986178 +1 0.40961484 +1 0.1894 H( 1231 ARG 83) -2.88495279 +1 -8.07359236 +1 2.16078125 +1 0.1700 H( 1232 ARG 83) -2.07660022 +1 -8.80228112 +1 0.76471932 +1 0.1521 H( 1233 ARG 83) 0.16278901 +1 -7.77062006 +1 2.00973823 +1 0.1514 H( 1234 ARG 83) -0.47869094 +1 -9.43011077 +1 2.31117977 +1 0.1489 H( 1235 ARG 83) -2.01307962 +1 -7.82515274 +1 4.09687836 +1 0.3763 H( 1236 ARG 83) 0.40398092 +1 -7.12741092 +1 6.66921893 +1 0.3005 H( 1237 ARG 83) -1.30674095 +1 -7.18098078 +1 6.24505578 +1 0.3610 H( 1238 ARG 83) 2.03677095 +1 -7.17605815 +1 4.64880782 +1 0.2921 H( 1239 ARG 83) 1.61040049 +1 -8.28622547 +1 3.46949326 +1 0.2673 H( 1240 ARG* 83) -1.62687168 +1 -7.17742548 +1 -1.65389938 +1 0.3114 N( 1241 ASN* 84) -4.24900000 +0 -4.35100000 +0 0.25300000 +0 -0.4589 C( 1242 ASN* 84) -4.45400000 +0 -2.88800000 +0 0.24700000 +0 0.0046 C( 1243 ASN* 84) -3.59200000 +0 -2.27900000 +0 1.37600000 +0 0.5816 O( 1244 ASN* 84) -2.75700000 +0 -2.94600000 +0 1.98500000 +0 -0.6218 C( 1245 ASN 84) -5.94300000 +0 -2.56200000 +0 0.37300000 +0 -0.4635 C( 1246 ASN 84) -6.48000000 +0 -2.70400000 +0 1.78000000 +0 0.6331 N( 1247 ASN 84) -7.80200000 +0 -2.42000000 +0 1.97800000 +0 -0.5560 O( 1248 ASN 84) -5.76600000 +0 -3.05800000 +0 2.73300000 +0 -0.6756 H( 1249 ASN* 84) -4.06778355 +1 -2.46547624 +1 -0.73802952 +1 0.2030 H( 1250 ASN 84) -6.14138034 +1 -1.52087922 +1 0.00119094 +1 0.2232 H( 1251 ASN 84) -6.52015449 +1 -3.21155572 +1 -0.32712902 +1 0.2097 H( 1252 ASN 84) -8.19489538 +1 -2.45847347 +1 2.92733051 +1 0.3154 H( 1253 ASN 84) -8.39409301 +1 -1.96689135 +1 1.27379415 +1 0.3063 H( 1254 ASN* 84) -4.72206164 +1 -4.87330826 +1 1.03060949 +1 0.3295 N( 1255 SER* 85) -3.77200000 +0 -0.93300000 +0 1.64800000 +0 -0.4657 C( 1256 SER* 85) -2.86500000 +0 -0.23600000 +0 2.57700000 +0 -0.1136 C( 1257 SER* 85) -3.50400000 +0 0.00800000 +0 3.95500000 +0 0.5912 O( 1258 SER* 85) -3.00500000 +0 0.82800000 +0 4.73000000 +0 -0.6416 C( 1259 SER 85) -2.40500000 +0 1.11300000 +0 1.94900000 +0 -0.0282 O( 1260 SER 85) -2.92800000 +0 1.26300000 +0 0.63300000 +0 -0.5570 H( 1261 SER* 85) -1.95840188 +1 -0.88625466 +1 2.78134811 +1 0.2054 H( 1262 SER 85) -1.29837395 +1 1.16844750 +1 1.92332955 +1 0.1620 H( 1263 SER 85) -2.82489414 +1 1.99581346 +1 2.49457490 +1 0.1688 H( 1264 SER 85) -2.47350627 +1 0.62985499 +1 0.00580098 +1 0.3449 H( 1265 SER* 85) -4.34902758 +1 -0.32077491 +1 1.05389996 +1 0.3107 N( 1266 ASP* 86) -4.63100000 +0 -0.71600000 +0 4.28200000 +0 -0.4695 C( 1267 ASP* 86) -5.38000000 +0 -0.47500000 +0 5.53100000 +0 0.0100 C( 1268 ASP* 86) -4.90900000 +0 -1.48800000 +0 6.60200000 +0 0.5642 O( 1269 ASP* 86) -4.92700000 +0 -2.71100000 +0 6.42500000 +0 -0.6476 C( 1270 ASP 86) -6.87200000 +0 -0.71400000 +0 5.28700000 +0 -0.4754 C( 1271 ASP 86) -7.53000000 +0 0.38900000 +0 4.51800000 +0 0.7312 O( 1272 ASP 86) -8.51500000 +0 -0.04000000 +0 3.73600000 +0 -0.6428 O( 1273 ASP 86) -7.25600000 +0 1.59000000 +0 4.57000000 +0 -0.6628 H( 1274 ASP* 86) -5.19508453 +1 0.59707079 +1 5.87186395 +1 0.2222 H( 1275 ASP 86) -7.41950767 +1 -0.85751852 +1 6.26083689 +1 0.2147 H( 1276 ASP 86) -7.03720341 +1 -1.70377733 +1 4.76364315 +1 0.2524 H( 1277 ASP 86) -9.01248557 +1 0.78461697 +1 3.09336542 +1 0.4260 H( 1278 ASP* 86) -4.93736071 +1 -1.53704010 +1 3.72422287 +1 0.3283 N( 1279 ARG* 87) -4.52200000 +0 -0.94200000 +0 7.80400000 +0 -0.4601 C( 1280 ARG* 87) -4.08500000 +0 -1.80400000 +0 8.91800000 +0 -0.0554 C( 1281 ARG* 87) -4.67300000 +0 -1.22200000 +0 10.21600000 +0 0.5645 O( 1282 ARG* 87) -4.70800000 +0 -0.01300000 +0 10.45200000 +0 -0.6461 C( 1283 ARG 87) -2.55300000 +0 -1.82800000 +0 9.10800000 +0 -0.2921 C( 1284 ARG 87) -1.80000000 +0 -2.41500000 +0 7.91800000 +0 -0.3095 C( 1285 ARG 87) -2.15500000 +0 -3.88700000 +0 7.66100000 +0 -0.1029 N( 1286 ARG 87) -1.24600000 +0 -4.53400000 +0 6.68000000 +0 -0.4545 C( 1287 ARG 87) -1.25300000 +0 -4.09600000 +0 5.32100000 +0 0.5330 N( 1288 ARG 87) -0.20500000 +0 -4.38900000 +0 4.57100000 +0 -0.7773 N( 1289 ARG 87) -2.38100000 +0 -3.37800000 +0 4.85600000 +0 -0.6076 H( 1290 ARG* 87) -4.45866889 +1 -2.86347605 +1 8.72991103 +1 0.2200 H( 1291 ARG 87) -2.18782901 +1 -0.79236323 +1 9.29612442 +1 0.1541 H( 1292 ARG 87) -2.31660990 +1 -2.40541348 +1 10.02750733 +1 0.1556 H( 1293 ARG 87) -0.70688707 +1 -2.32036759 +1 8.09664999 +1 0.1575 H( 1294 ARG 87) -2.00014087 +1 -1.81453205 +1 7.00570400 +1 0.1617 H( 1295 ARG 87) -2.09440462 +1 -4.48464605 +1 8.59978955 +1 0.1485 H( 1296 ARG 87) -3.21644924 +1 -3.98217150 +1 7.31154123 +1 0.1611 H( 1297 ARG 87) -0.30310598 +1 -4.68998732 +1 7.06460858 +1 0.2706 H( 1298 ARG 87) -0.29326191 +1 -4.19170802 +1 3.56714971 +1 0.2683 H( 1299 ARG 87) -3.24149103 +1 -3.39438195 +1 5.40833293 +1 0.2858 H( 1300 ARG 87) -2.57332155 +1 -3.41865979 +1 3.84906730 +1 0.2938 H( 1301 ARG* 87) -4.42369837 +1 0.08333101 +1 7.93693411 +1 0.3278 N( 1302 ILE* 88) -5.12400000 +0 -2.14500000 +0 11.13500000 +0 -0.4619 C( 1303 ILE* 88) -5.32000000 +0 -1.74400000 +0 12.54400000 +0 -0.0919 C( 1304 ILE* 88) -4.11000000 +0 -2.31300000 +0 13.32000000 +0 0.5836 O( 1305 ILE* 88) -3.52300000 +0 -3.33800000 +0 12.96600000 +0 -0.6614 C( 1306 ILE 88) -6.68500000 +0 -2.24300000 +0 13.08800000 +0 -0.0324 C( 1307 ILE 88) -6.63500000 +0 -3.68900000 +0 13.57000000 +0 -0.5143 C( 1308 ILE 88) -7.17500000 +0 -1.29300000 +0 14.20000000 +0 -0.2766 C( 1309 ILE 88) -8.68900000 +0 -1.34800000 +0 14.34900000 +0 -0.4590 H( 1310 ILE* 88) -5.30436820 +1 -0.60755245 +1 12.60539890 +1 0.2044 H( 1311 ILE 88) -7.41211739 +1 -2.18362220 +1 12.23351872 +1 0.1435 H( 1312 ILE 88) -5.91935366 +1 -3.83933074 +1 14.38697276 +1 0.1635 H( 1313 ILE 88) -7.61496156 +1 -4.00219528 +1 13.95684500 +1 0.1690 H( 1314 ILE 88) -6.36020258 +1 -4.38406923 +1 12.75895540 +1 0.1570 H( 1315 ILE 88) -6.68561272 +1 -1.54727677 +1 15.16319831 +1 0.1459 H( 1316 ILE 88) -6.85569758 +1 -0.24837024 +1 13.98698457 +1 0.1566 H( 1317 ILE 88) -9.04395038 +1 -0.65435558 +1 15.12936199 +1 0.1475 H( 1318 ILE 88) -9.02508467 +1 -2.35302017 +1 14.63542378 +1 0.1546 H( 1319 ILE 88) -9.21114463 +1 -1.07914872 +1 13.42392076 +1 0.1484 H( 1320 ILE* 88) -5.10433111 +1 -3.16363000 +1 10.93611271 +1 0.3243 N( 1321 LEU* 89) -3.69600000 +0 -1.55300000 +0 14.38700000 +0 -0.4776 C( 1322 LEU* 89) -2.53200000 +0 -1.90100000 +0 15.23000000 +0 -0.0214 C( 1323 LEU* 89) -3.07300000 +0 -1.91900000 +0 16.67400000 +0 0.5593 O( 1324 LEU* 89) -3.84700000 +0 -1.05300000 +0 17.08799900 +0 -0.6446 C( 1325 LEU 89) -1.41800000 +0 -0.84200000 +0 15.11800000 +0 -0.3411 C( 1326 LEU 89) -0.27500000 +0 -1.23200000 +0 14.15700000 +0 0.0407 C( 1327 LEU 89) -0.78100000 +0 -1.49700000 +0 12.73600000 +0 -0.5170 C( 1328 LEU 89) 0.51300000 +0 -2.43000000 +0 14.69300000 +0 -0.5264 H( 1329 LEU* 89) -2.13502675 +1 -2.92155754 +1 14.93123593 +1 0.2122 H( 1330 LEU 89) -0.98180325 +1 -0.64425368 +1 16.12151897 +1 0.1650 H( 1331 LEU 89) -1.84814110 +1 0.12892912 +1 14.79810589 +1 0.1548 H( 1332 LEU 89) 0.42684409 +1 -0.34433579 +1 14.12002341 +1 0.1174 H( 1333 LEU 89) -1.39127876 +1 -0.66558916 +1 12.36739864 +1 0.1481 H( 1334 LEU 89) 0.05063782 +1 -1.64415997 +1 12.03898274 +1 0.1470 H( 1335 LEU 89) -1.41153903 +1 -2.39796561 +1 12.69501788 +1 0.1719 H( 1336 LEU 89) 0.93876454 +1 -2.22962618 +1 15.68951308 +1 0.1545 H( 1337 LEU 89) -0.13001591 +1 -3.31762566 +1 14.79729374 +1 0.1764 H( 1338 LEU 89) 1.33767246 +1 -2.69342362 +1 14.02379538 +1 0.1511 H( 1339 LEU* 89) -4.19521091 +1 -0.67768415 +1 14.65337530 +1 0.3301 N( 1340 TYR* 90) -2.59600000 +0 -2.91100000 +0 17.50400000 +0 -0.4594 C( 1341 TYR* 90) -3.16000000 +0 -3.04800000 +0 18.86500000 +0 -0.0368 C( 1342 TYR* 90) -1.96400000 +0 -3.46400000 +0 19.73900000 +0 0.5769 O( 1343 TYR* 90) -1.08000000 +0 -4.24500000 +0 19.36300100 +0 -0.6618 C( 1344 TYR 90) -4.34300000 +0 -4.03400000 +0 18.97500000 +0 -0.3304 C( 1345 TYR 90) -4.32300000 +0 -5.17500000 +0 18.00099900 +0 -0.0469 C( 1346 TYR 90) -4.07000000 +0 -6.48200000 +0 18.45299900 +0 -0.0595 C( 1347 TYR 90) -3.97300000 +0 -7.54200000 +0 17.55299900 +0 -0.2944 C( 1348 TYR 90) -4.08000000 +0 -7.25800000 +0 16.18199900 +0 0.3221 C( 1349 TYR 90) -4.42800000 +0 -5.98700000 +0 15.70600000 +0 -0.3505 C( 1350 TYR 90) -4.56100000 +0 -4.95300000 +0 16.63400100 +0 -0.0646 O( 1351 TYR 90) -3.81600000 +0 -8.31200000 +0 15.33400000 +0 -0.5265 H( 1352 TYR* 90) -3.53174117 +1 -2.02177798 +1 19.20073998 +1 0.2049 H( 1353 TYR 90) -4.39693034 +1 -4.42874133 +1 20.02245251 +1 0.1967 H( 1354 TYR 90) -5.29245661 +1 -3.44981422 +1 18.85148171 +1 0.1675 H( 1355 TYR 90) -3.92794220 +1 -6.66986898 +1 19.52541857 +1 0.1742 H( 1356 TYR 90) -4.83896006 +1 -3.95825238 +1 16.28481590 +1 0.1418 H( 1357 TYR 90) -4.56921158 +1 -5.80083586 +1 14.64652825 +1 0.1671 H( 1358 TYR 90) -3.73322684 +1 -8.00917022 +1 14.37957197 +1 0.3445 H( 1359 TYR 90) -3.79380552 +1 -8.56411634 +1 17.89092124 +1 0.1908 H( 1360 TYR* 90) -2.09648357 +1 -3.74432302 +1 17.12703090 +1 0.3316 N( 1361 SER* 91) -1.88600000 +0 -2.87200000 +0 20.97400100 +0 -0.4317 C( 1362 SER* 91) -0.70500000 +0 -3.05000000 +0 21.83700000 +0 -0.1313 C( 1363 SER* 91) -1.04700000 +0 -4.05100000 +0 22.95000100 +0 0.5799 O( 1364 SER* 91) -2.20700000 +0 -4.34200000 +0 23.26300000 +0 -0.6495 C( 1365 SER 91) -0.27400000 +0 -1.67600000 +0 22.42600100 +0 -0.0094 O( 1366 SER 91) -1.35000000 +0 -0.74600000 +0 22.46900000 +0 -0.5678 H( 1367 SER* 91) 0.15815888 +1 -3.47247255 +1 21.22061811 +1 0.2234 H( 1368 SER 91) 0.03428871 +1 -1.74971965 +1 23.49565814 +1 0.1824 H( 1369 SER 91) 0.55028917 +1 -1.25105158 +1 21.81864978 +1 0.1413 H( 1370 SER 91) -1.60535896 +1 -0.44098986 +1 21.54685333 +1 0.3446 H( 1371 SER* 91) -2.60046537 +1 -2.20148058 +1 21.32030519 +1 0.3260 N( 1372 SER* 92) 0.02400000 +0 -4.58100000 +0 23.63500000 +0 -0.4535 C( 1373 SER* 92) -0.20800000 +0 -5.50100000 +0 24.77000000 +0 -0.0690 C( 1374 SER* 92) -0.78300000 +0 -4.79600000 +0 26.01800000 +0 0.5680 O( 1375 SER* 92) -1.16800000 +0 -5.47100000 +0 26.97400100 +0 -0.6159 C( 1376 SER 92) 1.08800000 +0 -6.23700000 +0 25.14800100 +0 -0.0147 O( 1377 SER 92) 1.34900000 +0 -7.16100000 +0 24.08900100 +0 -0.6386 H( 1378 SER* 92) -0.98667294 +1 -6.27198037 +1 24.46845320 +1 0.2021 H( 1379 SER 92) 0.93950611 +1 -6.81839784 +1 26.08082847 +1 0.1465 H( 1380 SER 92) 1.95387949 +1 -5.54794155 +1 25.27576813 +1 0.1686 H( 1381 SER 92) 2.36900728 +1 -7.32515171 +1 24.02145377 +1 0.3675 H( 1382 SER* 92) 0.98788688 +1 -4.54534235 +1 23.25519751 +1 0.3273 N( 1383 ASP* 93) -0.93300000 +0 -3.42300000 +0 26.00000000 +0 -0.4932 C( 1384 ASP* 93) -1.72300000 +0 -2.72600000 +0 27.03400000 +0 0.0137 C( 1385 ASP* 93) -3.02800000 +0 -2.11300000 +0 26.43899900 +0 0.5578 O( 1386 ASP* 93) -3.64200000 +0 -1.26100000 +0 27.05699900 +0 -0.5462 C( 1387 ASP 93) -0.91400000 +0 -1.65100000 +0 27.76300000 +0 -0.4756 C( 1388 ASP 93) 0.01300000 +0 -0.78400000 +0 26.92799900 +0 0.7701 O( 1389 ASP 93) 0.50000000 +0 0.23300000 +0 27.49300000 +0 -0.8046 O( 1390 ASP 93) 0.31400000 +0 -1.09200000 +0 25.73900000 +0 -0.7645 H( 1391 ASP* 93) -2.08129029 +1 -3.48401515 +1 27.79674844 +1 0.1765 H( 1392 ASP 93) -0.29834133 +1 -2.12125061 +1 28.55877594 +1 0.1859 H( 1393 ASP 93) -1.62166874 +1 -0.97275408 +1 28.30441952 +1 0.2159 H( 1394 ASP* 93) -0.37425268 +1 -2.79495842 +1 25.38138072 +1 0.3349 N( 1395 TRP* 94) -3.45500000 +0 -2.59000000 +0 25.19700100 +0 -0.5092 C( 1396 TRP* 94) -4.84400000 +0 -2.43700000 +0 24.70599900 +0 -0.0042 C( 1397 TRP* 94) -5.10900000 +0 -1.04500000 +0 24.09800000 +0 0.5786 O( 1398 TRP* 94) -6.23100000 +0 -0.55100000 +0 24.04400100 +0 -0.6125 C( 1399 TRP 94) -5.90400000 +0 -2.79800000 +0 25.76700000 +0 -0.2810 C( 1400 TRP 94) -5.79500000 +0 -4.24100000 +0 26.09000000 +0 -0.0776 C( 1401 TRP 94) -6.12200000 +0 -5.33600000 +0 25.20400000 +0 -0.0995 C( 1402 TRP 94) -6.69600000 +0 -5.42200000 +0 23.92200100 +0 -0.1012 C( 1403 TRP 94) -6.83500000 +0 -6.66700000 +0 23.33300000 +0 -0.2356 C( 1404 TRP 94) -6.41600000 +0 -7.85000000 +0 24.00000000 +0 -0.1124 C( 1405 TRP 94) -5.87200000 +0 -7.81200000 +0 25.27000000 +0 -0.2136 C( 1406 TRP 94) -5.73400000 +0 -6.54600000 +0 25.87500000 +0 0.0952 N( 1407 TRP 94) -5.25000000 +0 -6.19500000 +0 27.14500000 +0 -0.2426 C( 1408 TRP 94) -5.25300000 +0 -4.78700000 +0 27.24500100 +0 -0.0927 H( 1409 TRP* 94) -4.95471380 +1 -3.15869704 +1 23.83845377 +1 0.1645 H( 1410 TRP 94) -5.77021345 +1 -2.16025940 +1 26.67253787 +1 0.1906 H( 1411 TRP 94) -6.92285911 +1 -2.54902834 +1 25.38631017 +1 0.1645 H( 1412 TRP 94) -7.03630938 +1 -4.51963750 +1 23.41898858 +1 0.1453 H( 1413 TRP 94) -7.29427524 +1 -6.75613380 +1 22.34971898 +1 0.1536 H( 1414 TRP 94) -6.53747682 +1 -8.81088339 +1 23.49523154 +1 0.1523 H( 1415 TRP 94) -4.90006623 +1 -4.28685690 +1 28.13021080 +1 0.1705 H( 1416 TRP 94) -4.81971127 +1 -6.81781402 +1 27.79780842 +1 0.2740 H( 1417 TRP 94) -5.56271973 +1 -8.71541921 +1 25.78760557 +1 0.1624 H( 1418 TRP* 94) -2.96417242 +1 -3.39154047 +1 24.76446704 +1 0.3114 N( 1419 LEU* 95) -4.04200000 +0 -0.48100000 +0 23.40500100 +0 -0.4960 C( 1420 LEU* 95) -4.19200000 +0 0.80600000 +0 22.69800000 +0 -0.0062 C( 1421 LEU* 95) -4.17200000 +0 0.42200000 +0 21.19500000 +0 0.5758 O( 1422 LEU* 95) -3.38600000 +0 -0.38600000 +0 20.69300100 +0 -0.6489 C( 1423 LEU 95) -3.07000000 +0 1.80000000 +0 23.00900100 +0 -0.3506 C( 1424 LEU 95) -3.05500000 +0 2.22600000 +0 24.49500100 +0 0.0519 C( 1425 LEU 95) -4.38100000 +0 2.85400000 +0 24.93199900 +0 -0.5111 C( 1426 LEU 95) -1.88000000 +0 3.18400000 +0 24.73100100 +0 -0.5072 H( 1427 LEU* 95) -5.19047288 +1 1.27184762 +1 22.96638530 +1 0.1964 H( 1428 LEU 95) -2.08078623 +1 1.35835285 +1 22.75527968 +1 0.1678 H( 1429 LEU 95) -3.18904107 +1 2.69483767 +1 22.36575353 +1 0.1584 H( 1430 LEU 95) -2.88179149 +1 1.31034503 +1 25.12104465 +1 0.1336 H( 1431 LEU 95) -4.28162108 +1 3.37381869 +1 25.89116276 +1 0.1580 H( 1432 LEU 95) -5.15487664 +1 2.08657714 +1 25.07134317 +1 0.1656 H( 1433 LEU 95) -4.76608046 +1 3.57476298 +1 24.19646338 +1 0.1518 H( 1434 LEU 95) -1.78163489 +1 3.41520801 +1 25.79848891 +1 0.1583 H( 1435 LEU 95) -0.93716788 +1 2.73250573 +1 24.40165366 +1 0.1557 H( 1436 LEU 95) -1.99909773 +1 4.13620673 +1 24.19061589 +1 0.1439 H( 1437 LEU* 95) -3.06868240 +1 -0.81432248 +1 23.53409140 +1 0.3257 N( 1438 ILE* 96) -5.13600000 +0 1.03900000 +0 20.41300000 +0 -0.4932 C( 1439 ILE* 96) -5.48500000 +0 0.50900000 +0 19.08000000 +0 -0.0908 C( 1440 ILE* 96) -5.54000000 +0 1.71600000 +0 18.12200000 +0 0.5972 O( 1441 ILE* 96) -6.23700000 +0 2.70600000 +0 18.36000100 +0 -0.6611 C( 1442 ILE 96) -6.85300000 +0 -0.23200000 +0 19.07500100 +0 -0.0468 C( 1443 ILE 96) -7.25200000 +0 -0.55200000 +0 17.63299900 +0 -0.5065 C( 1444 ILE 96) -6.78200000 +0 -1.51100000 +0 19.93400000 +0 -0.2559 C( 1445 ILE 96) -8.16400000 +0 -2.02700000 +0 20.31900000 +0 -0.4661 H( 1446 ILE* 96) -4.67656759 +1 -0.22532961 +1 18.75726964 +1 0.2172 H( 1447 ILE 96) -7.62510385 +1 0.45067030 +1 19.52803940 +1 0.1327 H( 1448 ILE 96) -6.44119635 +1 -1.06253009 +1 17.08944572 +1 0.1717 H( 1449 ILE 96) -8.12387128 +1 -1.21763611 +1 17.60793470 +1 0.1607 H( 1450 ILE 96) -7.51173961 +1 0.34866198 +1 17.06584685 +1 0.1541 H( 1451 ILE 96) -6.19909003 +1 -1.32344020 +1 20.85894046 +1 0.1447 H( 1452 ILE 96) -6.22355938 +1 -2.30402339 +1 19.38262574 +1 0.1340 H( 1453 ILE 96) -8.70606921 +1 -1.31734714 +1 20.97108704 +1 0.1619 H( 1454 ILE 96) -8.09134117 +1 -2.96697750 +1 20.88090078 +1 0.1544 H( 1455 ILE 96) -8.79793526 +1 -2.21667684 +1 19.44637390 +1 0.1464 H( 1456 ILE* 96) -5.73321424 +1 1.79029864 +1 20.79930042 +1 0.3153 N( 1457 TYR* 97) -4.76700000 +0 1.60500000 +0 16.99000000 +0 -0.4792 C( 1458 TYR* 97) -4.56600000 +0 2.68900000 +0 16.01000000 +0 -0.0157 C( 1459 TYR* 97) -4.98800000 +0 2.15900000 +0 14.62500000 +0 0.5623 O( 1460 TYR* 97) -5.04300000 +0 0.95900000 +0 14.34800000 +0 -0.6476 C( 1461 TYR 97) -3.06700000 +0 3.06700000 +0 15.94300000 +0 -0.3068 C( 1462 TYR 97) -2.72200000 +0 4.18900000 +0 16.87900000 +0 -0.0636 C( 1463 TYR 97) -2.46400000 +0 5.46600000 +0 16.36400000 +0 -0.0663 C( 1464 TYR 97) -2.13300000 +0 6.52200000 +0 17.21200000 +0 -0.3500 C( 1465 TYR 97) -2.05600000 +0 6.27900000 +0 18.59199900 +0 0.3456 C( 1466 TYR 97) -2.28800000 +0 5.00000000 +0 19.12999900 +0 -0.3004 C( 1467 TYR 97) -2.62400000 +0 3.96300000 +0 18.26400000 +0 -0.0692 O( 1468 TYR 97) -1.74600000 +0 7.26600000 +0 19.48800100 +0 -0.5407 H( 1469 TYR* 97) -5.18864405 +1 3.59403439 +1 16.28672732 +1 0.2103 H( 1470 TYR 97) -2.43721710 +1 2.17817506 +1 16.17093958 +1 0.1665 H( 1471 TYR 97) -2.79149378 +1 3.34580191 +1 14.90173630 +1 0.1622 H( 1472 TYR 97) -2.51387037 +1 5.64451771 +1 15.28423773 +1 0.1460 H( 1473 TYR 97) -2.81578308 +1 2.96576460 +1 18.66485696 +1 0.1562 H( 1474 TYR 97) -2.20741723 +1 4.84139540 +1 20.20738044 +1 0.1921 H( 1475 TYR 97) -1.76641887 +1 8.20212121 +1 19.05635446 +1 0.3682 H( 1476 TYR 97) -1.95088040 +1 7.51876951 +1 16.80390858 +1 0.1688 H( 1477 TYR* 97) -4.28621681 +1 0.70619443 +1 16.76518967 +1 0.3290 N( 1478 LYS* 98) -5.23200000 +0 3.10700000 +0 13.65000000 +0 -0.4733 C( 1479 LYS* 98) -5.56100000 +0 2.67200000 +0 12.27700000 +0 -0.0411 C( 1480 LYS* 98) -4.59900000 +0 3.37500000 +0 11.30200000 +0 0.5941 O( 1481 LYS* 98) -3.96700000 +0 4.39300000 +0 11.58000000 +0 -0.6371 C( 1482 LYS 98) -7.02200000 +0 2.96500000 +0 11.90400000 +0 -0.3127 C( 1483 LYS 98) -7.33900000 +0 4.37500000 +0 11.39800000 +0 -0.2690 C( 1484 LYS 98) -8.73100000 +0 4.38400000 +0 10.75400000 +0 -0.2810 C( 1485 LYS 98) -9.06900000 +0 5.74500000 +0 10.13000000 +0 -0.1265 N( 1486 LYS 98) -10.43100000 +0 5.66200000 +0 9.51800000 +0 -0.5396 H( 1487 LYS* 98) -5.39389412 +1 1.54649603 +1 12.20758534 +1 0.1981 H( 1488 LYS 98) -7.67332369 +1 2.74279364 +1 12.78726438 +1 0.1659 H( 1489 LYS 98) -7.31845919 +1 2.22993504 +1 11.12650878 +1 0.1653 H( 1490 LYS 98) -7.29508396 +1 5.10707068 +1 12.23994064 +1 0.1435 H( 1491 LYS 98) -6.57691991 +1 4.72930153 +1 10.66993726 +1 0.1594 H( 1492 LYS 98) -9.50452021 +1 4.12720399 +1 11.50660191 +1 0.1513 H( 1493 LYS 98) -8.79721099 +1 3.58818310 +1 9.98227267 +1 0.1479 H( 1494 LYS 98) -9.07923813 +1 6.53548183 +1 10.91541297 +1 0.1532 H( 1495 LYS 98) -8.27275911 +1 6.04271645 +1 9.40273667 +1 0.0902 H( 1496 LYS 98) -10.40207498 +1 5.08996990 +1 8.67609633 +1 0.2033 H( 1497 LYS 98) -10.73896618 +1 6.58938285 +1 9.23089762 +1 0.2128 H( 1498 LYS* 98) -5.32097938 +1 4.11817827 +1 13.87129263 +1 0.3326 N( 1499 THR* 99) -4.54400000 +0 2.81000000 +0 10.04000000 +0 -0.4652 C( 1500 THR* 99) -3.77400000 +0 3.44400000 +0 8.95700000 +0 -0.1343 C( 1501 THR* 99) -4.49300000 +0 3.05300000 +0 7.65600000 +0 0.5965 O( 1502 THR* 99) -4.65700000 +0 1.87300000 +0 7.33200000 +0 -0.6504 C( 1503 THR 99) -2.27200000 +0 3.01200000 +0 8.88600000 +0 0.2210 C( 1504 THR 99) -1.95100000 +0 1.71400000 +0 9.60000000 +0 -0.5711 O( 1505 THR 99) -1.86800000 +0 2.91500000 +0 7.50800000 +0 -0.6050 H( 1506 THR* 99) -3.78709814 +1 4.57190214 +1 9.11918425 +1 0.2140 H( 1507 THR 99) -1.63998639 +1 3.85919294 +1 9.25449171 +1 0.1562 H( 1508 THR 99) -0.90167855 +1 1.42717186 +1 9.44905511 +1 0.1718 H( 1509 THR 99) -2.10872882 +1 1.80557009 +1 10.68525170 +1 0.1879 H( 1510 THR 99) -2.57737033 +1 0.86876589 +1 9.26784957 +1 0.1827 H( 1511 THR 99) -2.31068726 +1 2.15184143 +1 7.04626595 +1 0.3461 H( 1512 THR* 99) -4.86024512 +1 1.83796184 +1 9.86615316 +1 0.3240 N( 1513 THR*100) -4.91900000 +0 4.08700000 +0 6.85900000 +0 -0.4452 C( 1514 THR*100) -5.33600000 +0 3.85000000 +0 5.47000000 +0 -0.1537 C( 1515 THR*100) -4.16400000 +0 3.77700000 +0 4.47200000 +0 0.5863 O( 1516 THR*100) -4.36400000 +0 3.31900000 +0 3.34400000 +0 -0.6420 C( 1517 THR 100) -6.34200000 +0 4.93600000 +0 4.98800000 +0 0.2304 C( 1518 THR 100) -7.75800000 +0 4.62000000 +0 5.44400000 +0 -0.5214 O( 1519 THR 100) -6.05700000 +0 6.24000000 +0 5.52200000 +0 -0.6017 H( 1520 THR*100) -5.84614448 +1 2.82483474 +1 5.39964922 +1 0.2392 H( 1521 THR 100) -6.28313256 +1 5.03340280 +1 3.87497939 +1 0.1342 H( 1522 THR 100) -7.81228898 +1 4.45841690 +1 6.52922376 +1 0.1746 H( 1523 THR 100) -8.13693608 +1 3.70114721 +1 4.96132557 +1 0.1681 H( 1524 THR 100) -8.43864424 +1 5.44643986 +1 5.19632588 +1 0.1792 H( 1525 THR 100) -5.07293525 +1 6.40206843 +1 5.65656670 +1 0.3550 H( 1526 THR*100) -4.94512753 +1 5.07786140 +1 7.19973276 +1 0.3395 N( 1527 ASP*101) -2.90500000 +0 4.22300000 +0 4.83200000 +0 -0.4773 C( 1528 ASP*101) -1.79900000 +0 4.11200000 +0 3.86600000 +0 0.0060 C( 1529 ASP*101) -0.52800000 +0 3.57800000 +0 4.57300000 +0 0.5696 O( 1530 ASP*101) 0.38600000 +0 4.33700000 +0 4.88800000 +0 -0.6144 C( 1531 ASP 101) -1.48000000 +0 5.44100000 +0 3.16200000 +0 -0.4877 C( 1532 ASP 101) -0.73800000 +0 6.44400000 +0 4.00700000 +0 0.7385 O( 1533 ASP 101) 0.55700000 +0 6.68900000 +0 3.71200000 +0 -0.5433 O( 1534 ASP 101) -1.22700000 +0 7.14400000 +0 4.88000000 +0 -0.5851 H( 1535 ASP*101) -2.11555585 +1 3.37273454 +1 3.05330961 +1 0.1906 H( 1536 ASP 101) -0.91757637 +1 5.23298353 +1 2.22407235 +1 0.2008 H( 1537 ASP 101) -2.43631737 +1 5.90767442 +1 2.81827003 +1 0.2166 H( 1538 ASP 101) 1.12090190 +1 5.91375954 +1 3.32903414 +1 0.4043 H( 1539 ASP*101) -2.73602987 +1 4.76521996 +1 5.70948194 +1 0.3391 N( 1540 HIS*102) -0.48300000 +0 2.21800000 +0 4.79500000 +0 -0.4937 C( 1541 HIS*102) 0.77600000 +0 1.49300000 +0 5.08800000 +0 -0.0149 C( 1542 HIS*102) 1.64300000 +0 2.19300000 +0 6.15900000 +0 0.6003 O( 1543 HIS*102) 2.84100000 +0 2.40300000 +0 5.99900000 +0 -0.6084 C( 1544 HIS 102) 1.59800000 +0 1.30800000 +0 3.79700000 +0 -0.3069 C( 1545 HIS 102) 2.61500000 +0 0.24100000 +0 3.93400000 +0 0.0274 C( 1546 HIS 102) 2.51300000 +0 -1.15300000 +0 3.83200000 +0 -0.1462 N( 1547 HIS 102) 3.77000000 +0 -1.73300000 +0 4.00500000 +0 -0.3817 C( 1548 HIS 102) 4.64000000 +0 -0.70900000 +0 4.21700000 +0 -0.0254 N( 1549 HIS 102) 3.97000000 +0 0.51600000 +0 4.17600000 +0 -0.2053 H( 1550 HIS*102) 0.49410263 +1 0.47741884 +1 5.49639778 +1 0.1784 H( 1551 HIS 102) 2.06089658 +1 2.27514536 +1 3.49272334 +1 0.1824 H( 1552 HIS 102) 0.91708955 +1 1.05811876 +1 2.94156158 +1 0.2165 H( 1553 HIS 102) 1.63211386 +1 -1.74299769 +1 3.64635106 +1 0.1858 H( 1554 HIS 102) 4.36447428 +1 1.44421705 +1 4.33679384 +1 0.3096 H( 1555 HIS 102) 5.70130596 +1 -0.80935179 +1 4.38809984 +1 0.1883 H( 1556 HIS*102) -1.32253762 +1 1.61892674 +1 4.62588352 +1 0.3329 N( 1557 TYR*103) 1.00500000 +0 2.47600000 +0 7.35700000 +0 -0.5168 C( 1558 TYR*103) 1.74000000 +0 2.92400000 +0 8.55400000 +0 0.0116 C( 1559 TYR*103) 2.29200000 +0 4.36300000 +0 8.43500000 +0 0.5564 O( 1560 TYR*103) 3.09400000 +0 4.76800000 +0 9.28300000 +0 -0.6354 C( 1561 TYR 103) 2.92900000 +0 2.00100000 +0 8.92500000 +0 -0.3096 C( 1562 TYR 103) 2.62200000 +0 0.54500000 +0 8.73600000 +0 -0.0124 C( 1563 TYR 103) 3.12000000 +0 -0.10700000 +0 7.59400000 +0 -0.0838 C( 1564 TYR 103) 2.78000000 +0 -1.42800000 +0 7.32100000 +0 -0.3105 C( 1565 TYR 103) 1.94800000 +0 -2.08900000 +0 8.23000000 +0 0.2827 C( 1566 TYR 103) 1.48500000 +0 -1.49700000 +0 9.41200000 +0 -0.2677 C( 1567 TYR 103) 1.83300000 +0 -0.16600000 +0 9.65400000 +0 -0.1084 O( 1568 TYR 103) 1.52100000 +0 -3.39100000 +0 7.98900000 +0 -0.5269 H( 1569 TYR*103) 1.00784818 +1 2.93615103 +1 9.41664561 +1 0.1758 H( 1570 TYR 103) 3.22678762 +1 2.21708177 +1 9.97484467 +1 0.1741 H( 1571 TYR 103) 3.81408623 +1 2.28506810 +1 8.30822061 +1 0.1826 H( 1572 TYR 103) 3.76448926 +1 0.43915772 +1 6.89805565 +1 0.1713 H( 1573 TYR 103) 1.48606440 +1 0.32513179 +1 10.56893371 +1 0.1566 H( 1574 TYR 103) 0.87607024 +1 -2.06628065 +1 10.11293402 +1 0.1807 H( 1575 TYR 103) 1.83567792 +1 -3.71680980 +1 7.10419701 +1 0.3434 H( 1576 TYR 103) 3.14774369 +1 -1.92711587 +1 6.42505005 +1 0.1900 H( 1577 TYR*103) -0.03381568 +1 2.47769548 +1 7.42617988 +1 0.3244 N( 1578 GLN*104) 1.82300000 +0 5.21700000 +0 7.45500000 +0 -0.4741 C( 1579 GLN*104) 2.32000000 +0 6.61300000 +0 7.41400000 +0 -0.0319 C( 1580 GLN*104) 1.41800000 +0 7.44700000 +0 8.36300000 +0 0.5606 O( 1581 GLN*104) 1.90400000 +0 7.98300000 +0 9.35600000 +0 -0.6164 C( 1582 GLN 104) 2.32800000 +0 7.21500000 +0 6.00600000 +0 -0.2816 C( 1583 GLN 104) 3.56500000 +0 6.86800000 +0 5.17500000 +0 -0.3950 C( 1584 GLN 104) 3.44500000 +0 5.53300000 +0 4.47100000 +0 0.6426 N( 1585 GLN 104) 4.15700000 +0 4.48700000 +0 5.00500000 +0 -0.5480 O( 1586 GLN 104) 2.82900000 +0 5.37300000 +0 3.39900000 +0 -0.6954 H( 1587 GLN*104) 3.36826475 +1 6.65005137 +1 7.85181780 +1 0.1986 H( 1588 GLN 104) 2.27118139 +1 8.32366930 +1 6.08954933 +1 0.1667 H( 1589 GLN 104) 1.40286084 +1 6.93192639 +1 5.44632301 +1 0.1959 H( 1590 GLN 104) 4.48242497 +1 6.89852468 +1 5.81366854 +1 0.2013 H( 1591 GLN 104) 3.71409175 +1 7.65290264 +1 4.39846628 +1 0.1903 H( 1592 GLN 104) 4.58387764 +1 4.55560621 +1 5.94358905 +1 0.3146 H( 1593 GLN 104) 3.98275585 +1 3.53515497 +1 4.68636001 +1 0.2871 H( 1594 GLN*104) 1.27418290 +1 4.88672158 +1 6.64522218 +1 0.3217 N( 1595 THR*105) 0.07100000 +0 7.52900000 +0 8.06700000 +0 -0.4438 C( 1596 THR*105) -0.85300000 +0 8.32700000 +0 8.89300000 +0 -0.1522 C( 1597 THR*105) -1.64900000 +0 7.35300000 +0 9.79700000 +0 0.5782 O( 1598 THR*105) -2.54000000 +0 6.61100000 +0 9.36400000 +0 -0.6674 C( 1599 THR 105) -1.82800000 +0 9.17400000 +0 8.01600000 +0 0.2325 C( 1600 THR 105) -1.28700000 +0 10.57300000 +0 7.77500000 +0 -0.5677 O( 1601 THR 105) -2.07900000 +0 8.50000000 +0 6.78000000 +0 -0.5977 H( 1602 THR*105) -0.24992046 +1 9.04087918 +1 9.54400524 +1 0.2203 H( 1603 THR 105) -2.84305110 +1 9.19451562 +1 8.48615284 +1 0.1498 H( 1604 THR 105) -1.93723106 +1 11.12997252 +1 7.08414818 +1 0.1844 H( 1605 THR 105) -1.23774902 +1 11.15825318 +1 8.70532254 +1 0.1873 H( 1606 THR 105) -0.27788274 +1 10.57112595 +1 7.34497011 +1 0.1742 H( 1607 THR 105) -1.39361231 +1 8.70265237 +1 6.09094430 +1 0.3485 H( 1608 THR*105) -0.34700206 +1 7.06698671 +1 7.24879232 +1 0.3086 N( 1609 PHE*106) -1.29200000 +0 7.40400000 +0 11.12000000 +0 -0.4757 C( 1610 PHE*106) -1.88200000 +0 6.52800000 +0 12.15000000 +0 -0.0163 C( 1611 PHE*106) -2.90400000 +0 7.36800000 +0 12.96000000 +0 0.5665 O( 1612 PHE*106) -2.60300000 +0 8.40200000 +0 13.55000000 +0 -0.6162 C( 1613 PHE 106) -0.81600000 +0 6.03800000 +0 13.14600000 +0 -0.3617 C( 1614 PHE 106) -0.13500000 +0 4.76800000 +0 12.72600000 +0 0.0959 C( 1615 PHE 106) 1.25000000 +0 4.75700000 +0 12.50700000 +0 -0.1918 C( 1616 PHE 106) 1.90600000 +0 3.56000000 +0 12.20800000 +0 -0.1120 C( 1617 PHE 106) 1.18500000 +0 2.36600000 +0 12.13600000 +0 -0.2020 C( 1618 PHE 106) -0.19800000 +0 2.37500000 +0 12.34200000 +0 -0.1297 C( 1619 PHE 106) -0.86300000 +0 3.57200000 +0 12.61900000 +0 -0.2267 H( 1620 PHE*106) -2.38137009 +1 5.64533574 +1 11.64657444 +1 0.1989 H( 1621 PHE 106) -0.05811201 +1 6.84800467 +1 13.32823283 +1 0.2109 H( 1622 PHE 106) -1.28473236 +1 5.87342959 +1 14.14863241 +1 0.1706 H( 1623 PHE 106) 1.82407791 +1 5.68886780 +1 12.58805726 +1 0.1715 H( 1624 PHE 106) -1.94592780 +1 3.58054983 +1 12.75547493 +1 0.1635 H( 1625 PHE 106) -0.75691479 +1 1.44000915 +1 12.30189032 +1 0.1398 H( 1626 PHE 106) 1.69630432 +1 1.42465918 +1 11.92652251 +1 0.1464 H( 1627 PHE 106) 2.99421800 +1 3.56680987 +1 12.05662624 +1 0.1564 H( 1628 PHE*106) -0.55023400 +1 8.09278094 +1 11.46022347 +1 0.3489 N( 1629 THR*107) -4.17200000 +0 6.82500000 +0 13.05100000 +0 -0.4736 C( 1630 THR*107) -5.24400000 +0 7.49700000 +0 13.80600000 +0 -0.1445 C( 1631 THR*107) -5.43900000 +0 6.70900000 +0 15.11200000 +0 0.5746 O( 1632 THR*107) -5.64900000 +0 5.49200000 +0 15.12900000 +0 -0.6503 C( 1633 THR 107) -6.59700000 +0 7.48600000 +0 13.02100000 +0 0.2230 C( 1634 THR 107) -7.66000000 +0 8.29000000 +0 13.75200000 +0 -0.5327 O( 1635 THR 107) -6.42200000 +0 8.12900000 +0 11.76500000 +0 -0.5829 H( 1636 THR*107) -4.94383307 +1 8.56851962 +1 13.99799494 +1 0.2040 H( 1637 THR 107) -6.92386904 +1 6.42378093 +1 12.84643911 +1 0.1132 H( 1638 THR 107) -7.38829136 +1 9.35233678 +1 13.81512768 +1 0.1791 H( 1639 THR 107) -7.85182141 +1 7.92484170 +1 14.77096111 +1 0.1837 H( 1640 THR 107) -8.61202333 +1 8.25478152 +1 13.20467825 +1 0.1777 H( 1641 THR 107) -5.84363887 +1 7.56864553 +1 11.15682877 +1 0.3459 H( 1642 THR*107) -4.43488099 +1 5.96646567 +1 12.53642357 +1 0.3188 N( 1643 LYS*108) -5.34800000 +0 7.43300000 +0 16.28100000 +0 -0.4605 C( 1644 LYS*108) -5.66100000 +0 6.77800000 +0 17.57099900 +0 -0.0347 C( 1645 LYS*108) -7.18900000 +0 6.52000000 +0 17.62200000 +0 0.5630 O( 1646 LYS*108) -8.02900000 +0 7.35600000 +0 17.34199900 +0 -0.5438 C( 1647 LYS 108) -5.24800000 +0 7.66000000 +0 18.75799900 +0 -0.2985 C( 1648 LYS 108) -5.40500000 +0 6.88800000 +0 20.07399900 +0 -0.2494 C( 1649 LYS 108) -4.63100000 +0 7.55200000 +0 21.21900000 +0 -0.2796 C( 1650 LYS 108) -4.84200000 +0 6.81800000 +0 22.55100100 +0 -0.1489 N( 1651 LYS 108) -4.14400000 +0 5.49100000 +0 22.53400000 +0 -0.5417 H( 1652 LYS*108) -5.08866056 +1 5.80385788 +1 17.60748417 +1 0.1789 H( 1653 LYS 108) -4.19183677 +1 7.98447164 +1 18.62727369 +1 0.1638 H( 1654 LYS 108) -5.85225021 +1 8.58903466 +1 18.78485992 +1 0.1573 H( 1655 LYS 108) -6.47804054 +1 6.80541105 +1 20.33936891 +1 0.1402 H( 1656 LYS 108) -5.04521631 +1 5.84530040 +1 19.94615056 +1 0.1429 H( 1657 LYS 108) -4.94623511 +1 8.60665033 +1 21.33385319 +1 0.1385 H( 1658 LYS 108) -3.54771348 +1 7.58252234 +1 20.96824538 +1 0.1532 H( 1659 LYS 108) -4.41170654 +1 7.41777007 +1 23.38371406 +1 0.1396 H( 1660 LYS 108) -5.93168201 +1 6.71067727 +1 22.76565006 +1 0.1427 H( 1661 LYS 108) -4.37187680 +1 4.96344180 +1 23.39136743 +1 0.2350 H( 1662 LYS 108) -4.51709537 +1 4.91050037 +1 21.77407476 +1 0.2298 H( 1663 LYS*108) -5.25047201 +1 8.46417781 +1 16.28269519 +1 0.3199 N( 1664 ILE*109) -7.51700000 +0 5.23900000 +0 18.06300000 +0 -0.5228 C( 1665 ILE*109) -8.92200000 +0 4.80100000 +0 18.18400000 +0 -0.0552 C( 1666 ILE*109) -9.11900000 +0 4.46300000 +0 19.67900100 +0 0.5853 O( 1667 ILE*109) -9.83100000 +0 5.14700000 +0 20.41300000 +0 -0.6444 C( 1668 ILE 109) -9.25400000 +0 3.58500000 +0 17.27500000 +0 -0.0553 C( 1669 ILE 109) -10.71000000 +0 3.17600000 +0 17.50900100 +0 -0.5003 C( 1670 ILE 109) -8.99400000 +0 3.92700000 +0 15.79500000 +0 -0.2531 C( 1671 ILE 109) -9.06100000 +0 2.68600000 +0 14.90800000 +0 -0.4622 H( 1672 ILE*109) -9.60896551 +1 5.66516574 +1 17.93664978 +1 0.2020 H( 1673 ILE 109) -8.58115566 +1 2.73204108 +1 17.55388343 +1 0.1358 H( 1674 ILE 109) -11.40690556 +1 3.99539222 +1 17.29160530 +1 0.1660 H( 1675 ILE 109) -10.89138072 +1 2.85901399 +1 18.54235750 +1 0.1574 H( 1676 ILE 109) -10.99216740 +1 2.34147089 +1 16.85612983 +1 0.1570 H( 1677 ILE 109) -7.99507066 +1 4.40107119 +1 15.68032961 +1 0.1510 H( 1678 ILE 109) -9.72257573 +1 4.68448434 +1 15.44564959 +1 0.1430 H( 1679 ILE 109) -8.36874594 +1 1.90731209 +1 15.25141963 +1 0.1451 H( 1680 ILE 109) -10.06725447 +1 2.25259625 +1 14.88707065 +1 0.1488 H( 1681 ILE 109) -8.78185533 +1 2.93062784 +1 13.86844587 +1 0.1454 H( 1682 ILE*109) -6.80908585 +1 4.48513159 +1 18.04826077 +1 0.3142 N( 1683 ARG*110) -8.45000000 +0 3.35200000 +0 20.17000000 +0 -0.4945 C( 1684 ARG*110) -8.39900000 +0 3.04700000 +0 21.61899900 +0 -0.0618 C( 1685 ARG*110) -7.14900000 +0 3.77100000 +0 22.16900100 +0 0.6262 O( 1686 ARG*110) -6.02000000 +0 3.30900000 +0 22.11200000 +0 -0.5766 O( 1687 ARG 110) -7.32000000 +0 4.98400000 +0 22.69300100 +0 -0.5747 C( 1688 ARG 110) -8.28600000 +0 1.53300000 +0 21.85400000 +0 -0.3048 C( 1689 ARG 110) -9.63900000 +0 0.86500000 +0 22.10000000 +0 -0.2772 C( 1690 ARG 110) -10.00100000 +0 0.77400000 +0 23.59000000 +0 -0.1062 N( 1691 ARG 110) -9.43000000 +0 -0.48100000 +0 24.14600000 +0 -0.5293 C( 1692 ARG 110) -10.04700000 +0 -1.18300000 +0 25.21999900 +0 0.5076 N( 1693 ARG 110) -9.54100000 +0 -2.27000000 +0 25.76300000 +0 -0.7112 N( 1694 ARG 110) -11.30400000 +0 -0.71700000 +0 25.68000000 +0 -0.5397 H( 1695 ARG 110) -8.34955489 +1 5.38622930 +1 22.68730388 +1 0.3933 H( 1696 ARG*110) -9.32255777 +1 3.44814531 +1 22.12084031 +1 0.1762 H( 1697 ARG 110) -7.59673714 +1 1.31882429 +1 22.70425573 +1 0.1822 H( 1698 ARG 110) -7.79954023 +1 1.04201352 +1 20.97638412 +1 0.1570 H( 1699 ARG 110) -10.44813652 +1 1.39040862 +1 21.55660381 +1 0.1480 H( 1700 ARG 110) -9.61543730 +1 -0.16528378 +1 21.66087917 +1 0.1593 H( 1701 ARG 110) -9.64675593 +1 1.66572373 +1 24.14972117 +1 0.1266 H( 1702 ARG 110) -11.11853803 +1 0.77076316 +1 23.68936842 +1 0.1746 H( 1703 ARG 110) -8.39532191 +1 -0.47876111 +1 24.16326091 +1 0.2906 H( 1704 ARG 110) -8.57610392 +1 -2.52499126 +1 25.54386114 +1 0.2543 H( 1705 ARG 110) -11.80243483 +1 -1.35876823 +1 26.29429374 +1 0.2694 H( 1706 ARG 110) -11.92774082 +1 -0.28810892 +1 24.98545912 +1 0.2822 H( 1707+ARG*110) -7.76692045 +1 2.84561332 +1 19.57570851 +1 0.3159 N( 1708 UNK*111) 0.24400000 +0 -0.61300000 +0 1.48100000 +0 -0.2708 C( 1709 UNK*111) 1.26600000 +0 -0.36400000 +0 0.54600000 +0 -0.3407 C( 1710 UNK*111) 2.07600000 +0 0.77200000 +0 0.29900000 +0 0.6107 O( 1711 UNK*111) 1.93100000 +0 1.87500000 +0 1.01700000 +0 -0.4921 C( 1712 UNK 111) 1.56000000 +0 -1.56300000 +0 -0.20800000 +0 0.3613 N( 1713 UNK 111) 0.68500000 +0 -2.53600000 +0 0.29200000 +0 -0.3319 C( 1714 UNK 111) 0.53200000 +0 -3.99400000 +0 0.07200000 +0 0.3593 O( 1715 UNK 111) 0.35600000 +0 -4.53000000 +0 1.41300000 +0 -0.4936 C( 1716 UNK 111) 1.43600000 +0 -5.43300000 +0 1.75300000 +0 0.0579 C( 1717 UNK 111) 2.02200000 +0 -5.88300000 +0 0.38800000 +0 0.1870 C( 1718 UNK 111) 1.71000000 +0 -4.72600000 +0 -0.56400000 +0 -0.4602 O( 1719 UNK 111) 1.19300000 +0 -7.01900000 +0 0.05800000 +0 -0.6806 P( 1720 UNK 111) 1.81400000 +0 -8.27100000 +0 -0.81500000 +0 0.0000 O( 1721 UNK 111) 2.84100000 +0 -7.58500000 +0 -1.90200000 +0 -0.6582 C( 1722 UNK 111) 2.21700000 +0 -7.04900000 +0 -3.10500000 +0 -0.0393 C( 1723 UNK 111) 3.30100000 +0 -6.93700000 +0 -4.17300000 +0 0.0421 C( 1724 UNK 111) 4.56400000 +0 -7.82200000 +0 -3.98700000 +0 0.1866 O( 1725 UNK 111) 4.69300000 +0 -8.78300000 +0 -5.01900000 +0 -0.6060 C( 1726 UNK 111) 5.75100000 +0 -6.83400000 +0 -4.00900000 +0 -0.4723 C( 1727 UNK 111) 5.14600000 +0 -5.43800000 +0 -3.85200000 +0 0.3539 O( 1728 UNK 111) 3.75400000 +0 -5.55300000 +0 -4.19500000 +0 -0.4969 N( 1729 UNK 111) 5.26700000 +0 -4.89000000 +0 -2.46700000 +0 -0.4766 C( 1730 UNK 111) 5.14300000 +0 -5.69100000 +0 -1.34000000 +0 0.2250 C( 1731 UNK 111) 5.35300000 +0 -5.17700000 +0 -0.08800000 +0 -0.5735 C( 1732 UNK 111) 5.69500000 +0 -3.77800000 +0 0.05100000 +0 0.5311 N( 1733 UNK 111) 5.73700000 +0 -2.94900000 +0 -1.04300000 +0 -0.6697 C( 1734 UNK 111) 5.50200000 +0 -3.43700000 +0 -2.30600000 +0 0.7295 O( 1735 UNK 111) 5.47000000 +0 -2.76600000 +0 -3.32700000 +0 -0.5690 N( 1736 UNK 111) 6.01000000 +0 -3.24100000 +0 1.26000000 +0 -0.4543 O( 1737 UNK 111) 2.50900000 +0 -9.27400000 +0 0.01400000 +0 -0.8510 O( 1738 UNK 111) 0.49300000 +0 -8.70500000 +0 -1.60600000 +0 -0.8124 C( 1739 UNK 111) 2.45200000 +0 -4.72300000 +0 2.65100000 +0 -0.0543 O( 1740 UNK 111) 2.44000000 +0 -5.32100000 +0 3.95800000 +0 -0.6267 N( 1741 UNK 111) 2.47400000 +0 -1.63400000 +0 -1.22300000 +0 -0.5993 C( 1742 UNK 111) 3.16500000 +0 -0.44300000 +0 -1.43400000 +0 0.5609 N( 1743 UNK 111) 4.01000000 +0 -0.37300000 +0 -2.51500000 +0 -0.4521 C( 1744 UNK 111) -0.08200000 +0 -1.89100000 +0 1.33000000 +0 0.0520 H( 1745 UNK 111) -0.45874233 +1 -4.17582131 +1 -0.42766714 +1 0.1725 H( 1746 UNK 111) 2.59950322 +1 -4.07893768 +1 -0.71814629 +1 0.2124 H( 1747 UNK 111) 1.44128783 +1 -5.07974506 +1 -1.59853596 +1 0.2283 H( 1748 UNK 111) 3.09328946 +1 -6.16162523 +1 0.42444622 +1 0.1383 H( 1749 UNK 111) 1.80614079 +1 -6.03441600 +1 -2.84611487 +1 0.1791 H( 1750 UNK 111) 1.38231312 +1 -7.70819652 +1 -3.44560565 +1 0.1674 H( 1751 UNK 111) 2.85289494 +1 -7.08292544 +1 -5.19350142 +1 0.1858 H( 1752 UNK 111) 4.52834497 +1 -8.44505561 +1 -3.06433566 +1 0.1619 H( 1753 UNK 111) 4.53260459 +1 -8.37924577 +1 -5.93711426 +1 0.3561 H( 1754 UNK 111) 5.52963629 +1 -4.66015850 +1 -4.56534816 +1 0.1778 H( 1755 UNK 111) 4.86685869 +1 -6.74944101 +1 -1.48852112 +1 0.1762 H( 1756 UNK 111) 5.91438117 +1 -3.77945829 +1 2.12961923 +1 0.3136 H( 1757 UNK 111) 6.23358577 +1 -2.24818632 +1 1.34763694 +1 0.3018 H( 1758 UNK 111) 5.31588975 +1 -5.81130369 +1 0.79289488 +1 0.2050 H( 1759 UNK 111) 6.51035385 +1 -7.07977326 +1 -3.24693461 +1 0.1846 H( 1760 UNK 111) 6.29368992 +1 -6.91706814 +1 -4.97322250 +1 0.1937 H( 1761 UNK 111) 0.13668965 +1 -9.77641627 +1 -1.46816816 +1 0.4099 H( 1762 UNK 111) 0.91475511 +1 -6.26848123 +1 2.27962443 +1 0.1619 H( 1763 UNK 111) 3.50030137 +1 -4.84725145 +1 2.31331161 +1 0.1579 H( 1764 UNK 111) 2.22794755 +1 -3.63956199 +1 2.73331526 +1 0.1711 H( 1765 UNK 111) 1.65905620 +1 -4.93683471 +1 4.48665612 +1 0.3696 H( 1766 UNK 111) 4.60439897 +1 0.43843781 +1 -2.62687179 +1 0.2829 H( 1767 UNK 111) 4.33364099 +1 -1.23126767 +1 -2.97817781 +1 0.3143 H( 1768 UNK 111) -0.83187248 +1 -2.45897343 +1 1.88939645 +1 0.2254 N( 1769 N ) 3.03500000 +0 0.72700000 +0 -0.67200000 +0 -0.6919 S( 1770 SO4 111) 7.14400000 +0 3.18600000 +0 0.14000000 +0 0.0000 O( 1771 SO4 111) 7.46500000 +0 1.99100000 +0 -0.59200000 +0 -0.8960 O( 1772 SO4 111) 5.84600000 +0 4.03600000 +0 -0.41700000 +0 -0.8298 O( 1773 SO4 111) 8.19800000 +0 4.35500000 +0 -0.39400000 +0 -0.7553 O( 1774 SO4 111) 7.14200000 +0 3.20600000 +0 1.58600000 +0 -0.9452 H( 1775 SO4 111) 4.99554627 +1 4.03040308 +1 0.15328559 +1 0.3970 H( 1776 SO4 111) 7.77763468 +1 5.14462154 +1 -0.79907115 +1 0.3608 O( 1777 HOH 112) -1.91900000 +0 -7.80800000 +0 9.01600000 +0 -0.7111 H( 1778 HOH 112) -2.70525261 +1 -7.96295068 +1 8.43799676 +1 0.3700 H( 1779 HOH 112) -1.37602858 +1 -7.16412877 +1 8.55291927 +1 0.3333 O( 1780 HOH 113) -1.15200000 +0 -9.20900000 +0 10.84700000 +0 -0.7165 H( 1781 HOH 113) -1.96693357 +1 -8.67520932 +1 10.93154698 +1 0.3547 H( 1782 HOH 113) -1.00583120 +1 -9.29201417 +1 9.87485596 +1 0.3548 O( 1783 HOH 114) -10.54100000 +0 -12.30400000 +0 2.28000000 +0 -0.7256 H( 1784 HOH 114) -10.54437375 +1 -11.82967935 +1 1.43019473 +1 0.3474 H( 1785 HOH 114) -9.60010578 +1 -12.69882718 +1 2.37296736 +1 0.3686 O( 1786 HOH 115) -4.26900000 +0 10.06500000 +0 16.36300100 +0 -0.6773 H( 1787 HOH 115) -4.64809242 +1 10.93825284 +1 16.32045933 +1 0.3258 H( 1788 HOH 115) -3.73290955 +1 10.02171318 +1 17.19376874 +1 0.3513 O( 1789 HOH 116) -2.49100000 +0 -21.15000000 +0 -4.22800000 +0 -0.6886 H( 1790 HOH 116) -3.15636423 +1 -21.79192245 +1 -3.93181436 +1 0.3402 H( 1791 HOH 116) -1.70441892 +1 -21.35694670 +1 -3.69352480 +1 0.3449 O( 1792 HOH 117) -0.26000000 +0 -11.03700000 +0 -1.94700000 +0 -0.6397 H( 1793 HOH 117) -1.14548884 +1 -10.80162160 +1 -2.38288501 +1 0.3565 H( 1794 HOH 117) 0.41428514 +1 -11.12510163 +1 -2.70485182 +1 0.3667 O( 1795 HOH 118) -9.91400000 +0 -6.96000000 +0 5.67600000 +0 -0.7213 H( 1796 HOH 118) -9.54676273 +1 -7.82097663 +1 5.32873890 +1 0.3546 H( 1797 HOH 118) -9.29327322 +1 -6.67650353 +1 6.37369031 +1 0.3479 O( 1798 HOH 119) -5.67100000 +0 -9.36300000 +0 4.37200000 +0 -0.6949 H( 1799 HOH 119) -6.54503589 +1 -9.17034653 +1 4.01281237 +1 0.3445 H( 1800 HOH 119) -5.03930856 +1 -8.76284491 +1 3.94334686 +1 0.3497 O( 1801 HOH 120) 2.56900000 +0 -14.50100000 +0 10.45400000 +0 -0.6700 H( 1802 HOH 120) 3.10786262 +1 -13.70247151 +1 10.49830620 +1 0.3393 H( 1803 HOH 120) 1.85373308 +1 -14.36785513 +1 11.09354487 +1 0.3320 O( 1804 HOH 121) -5.19800000 +0 -5.74300000 +0 2.61800000 +0 -0.7053 H( 1805 HOH 121) -5.31777112 +1 -4.88333964 +1 3.06647596 +1 0.3488 H( 1806 HOH 121) -4.51951297 +1 -6.22926759 +1 3.13566963 +1 0.3516 O( 1807 HOH 122) -13.56300000 +0 -10.19500000 +0 26.39399900 +0 -0.6937 H( 1808 HOH 122) -13.61157616 +1 -9.22239702 +1 26.41322826 +1 0.3466 H( 1809 HOH 122) -12.66397531 +1 -10.40782573 +1 26.68314630 +1 0.3462 O( 1810 HOH 123) -16.97100100 +0 -4.60400000 +0 16.15600000 +0 -0.6923 H( 1811 HOH 123) -16.16150587 +1 -5.14352096 +1 16.14104642 +1 0.3422 H( 1812 HOH 123) -17.61267918 +1 -5.08841782 +1 16.69207305 +1 0.3388 O( 1813 HOH 124) 0.21800000 +0 -12.26100000 +0 17.80900000 +0 -0.6841 H( 1814 HOH 124) 0.25673468 +1 -12.04913024 +1 16.86652373 +1 0.3329 H( 1815 HOH 124) -0.71113618 +1 -12.49342687 +1 17.98013952 +1 0.3386 O( 1816 HOH 125) -4.46400000 +0 -10.95200000 +0 17.99799900 +0 -0.7171 H( 1817 HOH 125) -5.10955458 +1 -10.58836344 +1 17.37323000 +1 0.3303 H( 1818 HOH 125) -5.00140277 +1 -11.30809623 +1 18.75641583 +1 0.3555 O( 1819 HOH 126) -1.77600000 +0 -6.81000000 +0 20.49500100 +0 -0.7038 H( 1820 HOH 126) -1.34959584 +1 -5.99814656 +1 20.19887672 +1 0.3377 H( 1821 HOH 126) -2.57888544 +1 -6.54632127 +1 20.99286238 +1 0.3466 O( 1822 HOH 127) -14.56000000 +0 1.16700000 +0 9.48200000 +0 -0.6951 H( 1823 HOH 127) -14.24680414 +1 2.08810291 +1 9.64646239 +1 0.3562 H( 1824 HOH 127) -15.54054635 +1 1.22270604 +1 9.46356967 +1 0.3481 O( 1825 HOH 128) 4.12100000 +0 -14.97400000 +0 5.89700000 +0 -0.6875 H( 1826 HOH 128) 3.98269251 +1 -14.98965669 +1 4.93303222 +1 0.3417 H( 1827 HOH 128) 5.00086202 +1 -15.34001664 +1 6.01955469 +1 0.3345 O( 1828 HOH 129) 2.86700000 +0 -9.09400000 +0 23.93300100 +0 -0.6961 H( 1829 HOH 129) 2.02991063 +1 -9.28084167 +1 24.37192589 +1 0.3332 H( 1830 HOH 129) 2.79051185 +1 -9.53763413 +1 23.04681455 +1 0.3695 O( 1831 HOH 130) -2.20600000 +0 9.47000000 +0 17.96299900 +0 -0.6932 H( 1832 HOH 130) -1.98395129 +1 9.09275881 +1 17.02367175 +1 0.3675 H( 1833 HOH 130) -1.64292835 +1 10.24748008 +1 18.03801294 +1 0.3280 O( 1834 HOH 131) -12.92400000 +0 0.43600000 +0 7.52700000 +0 -0.7091 H( 1835 HOH 131) -13.72933390 +1 0.84709832 +1 7.90329034 +1 0.3430 H( 1836 HOH 131) -13.22029280 +1 -0.25500502 +1 6.89009284 +1 0.3484 O( 1837 HOH 132) 3.26700000 +0 -12.11300000 +0 14.41000000 +0 -0.6915 H( 1838 HOH 132) 3.79206178 +1 -12.78169571 +1 14.83674257 +1 0.3251 H( 1839 HOH 132) 2.35870269 +1 -12.17617277 +1 14.78901879 +1 0.3589 O( 1840 HOH 133) -6.20500000 +0 -12.32900000 +0 19.45599900 +0 -0.7195 H( 1841 HOH 133) -5.83703086 +1 -13.20315797 +1 19.34442818 +1 0.3190 H( 1842 HOH 133) -6.15438196 +1 -12.15785337 +1 20.47353150 +1 0.3695 O( 1843 HOH 134) -10.95900000 +0 -10.48900000 +0 4.14900000 +0 -0.6995 H( 1844 HOH 134) -11.36862655 +1 -9.78915209 +1 3.61647924 +1 0.3436 H( 1845 HOH 134) -10.80032885 +1 -11.26133637 +1 3.50852191 +1 0.3661 O( 1846 HOH 135) -0.45900000 +0 -5.37500000 +0 -2.79600000 +0 -0.7059 H( 1847 HOH 135) 0.03519228 +1 -4.70920364 +1 -3.31088307 +1 0.3487 H( 1848 HOH 135) -1.11585858 +1 -4.87819662 +1 -2.27060898 +1 0.3419 O( 1849 HOH 136) 6.08300000 +0 -4.04200000 +0 19.62599900 +0 -0.6962 H( 1850 HOH 136) 5.84009738 +1 -3.37992328 +1 20.31072704 +1 0.3566 H( 1851 HOH 136) 5.97160979 +1 -3.62667084 +1 18.75716454 +1 0.3441 O( 1852 HOH 137) -2.79000000 +0 -11.15100000 +0 -2.28900000 +0 -0.7088 H( 1853 HOH 137) -3.35009189 +1 -11.10750943 +1 -3.12272001 +1 0.3771 H( 1854 HOH 137) -3.27425980 +1 -10.59509646 +1 -1.65809519 +1 0.3454 O( 1855 HOH 138) -3.35100000 +0 6.37700000 +0 6.43600000 +0 -0.7132 H( 1856 HOH 138) -2.88390550 +1 7.00824851 +1 5.83798169 +1 0.3620 H( 1857 HOH 138) -3.08823769 +1 6.67038023 +1 7.33994417 +1 0.3637 O( 1858 HOH 139) -9.39500000 +0 0.95200000 +0 1.64200000 +0 -0.6666 H( 1859 HOH 139) -10.16955409 +1 0.36167526 +1 1.48291690 +1 0.3499 H( 1860 HOH 139) -8.64156863 +1 0.50496603 +1 1.13329368 +1 0.3633 O( 1861 HOH 140) -13.52000000 +0 -14.33600000 +0 16.52800000 +0 -0.6969 H( 1862 HOH 140) -12.69287289 +1 -14.01484036 +1 16.94763283 +1 0.3537 H( 1863 HOH 140) -13.50450385 +1 -15.31595542 +1 16.63773030 +1 0.3577 O( 1864 HOH 141) 0.63900000 +0 9.32400000 +0 11.47100000 +0 -0.6691 H( 1865 HOH 141) 0.89615013 +1 9.35063069 +1 12.42025814 +1 0.3510 H( 1866 HOH 141) 1.40106779 +1 8.91766771 +1 11.01870194 +1 0.3395 O( 1867 HOH 142) -5.35900000 +0 -12.98300000 +0 12.93900000 +0 -0.6854 H( 1868 HOH 142) -4.57868004 +1 -13.51197474 +1 12.71149720 +1 0.3402 H( 1869 HOH 142) -6.01427470 +1 -13.61732834 +1 13.25686110 +1 0.3356 O( 1870 HOH 143) -11.50100000 +0 -11.10100000 +0 6.81200000 +0 -0.6307 H( 1871 HOH 143) -11.71964078 +1 -11.15331074 +1 5.84386427 +1 0.3593 H( 1872 HOH 143) -11.22800835 +1 -12.03550371 +1 7.04592156 +1 0.3615 O( 1873 HOH 144) 3.18800000 +0 -8.46100000 +0 -7.00500000 +0 -0.6611 H( 1874 HOH 144) 2.86191372 +1 -9.38321257 +1 -6.91586549 +1 0.3543 H( 1875 HOH 144) 3.22743105 +1 -8.28276240 +1 -7.94102087 +1 0.3245 O( 1876 HOH 145) -6.21500000 +0 6.28200000 +0 8.04800000 +0 -0.6883 H( 1877 HOH 145) -6.63701045 +1 6.56638235 +1 7.21178235 +1 0.3513 H( 1878 HOH 145) -6.89846296 +1 5.93773467 +1 8.63526349 +1 0.3293 O( 1879 HOH 146) -18.49000000 +0 -4.68100000 +0 20.86300100 +0 -0.7281 H( 1880 HOH 146) -18.67183997 +1 -3.72681608 +1 20.86665550 +1 0.3486 H( 1881 HOH 146) -17.91568712 +1 -4.84563678 +1 21.66835911 +1 0.3631 O( 1882 HOH 147) -5.73200000 +0 1.90500000 +0 1.84800000 +0 -0.7096 H( 1883 HOH 147) -4.83742773 +1 2.17064814 +1 1.57979953 +1 0.3537 H( 1884 HOH 147) -5.86013065 +1 2.29527498 +1 2.73606261 +1 0.3579 O( 1885 HOH 148) -15.86100000 +0 -10.71000000 +0 25.59400000 +0 -0.6755 H( 1886 HOH 148) -15.62055757 +1 -9.78104059 +1 25.71550054 +1 0.3320 H( 1887 HOH 148) -15.18913614 +1 -11.21117380 +1 26.07989026 +1 0.3376 O( 1888 HOH 149) 1.67900000 +0 -3.79700000 +0 -3.38100000 +0 -0.6997 H( 1889 HOH 149) 2.46512212 +1 -4.09635045 +1 -3.86020031 +1 0.3479 H( 1890 HOH 149) 1.92748232 +1 -2.99057266 +1 -2.90910562 +1 0.3525 O( 1891 HOH 150) 5.42300000 +0 0.01400000 +0 21.81500100 +0 -0.7509 H( 1892 HOH 150) 6.32828189 +1 -0.02428382 +1 21.37847818 +1 0.3697 H( 1893 HOH 150) 5.19947645 +1 -0.93596890 +1 21.97112695 +1 0.3566 O( 1894 HOH 151) -2.28100000 +0 -11.73600000 +0 17.21699900 +0 -0.6845 H( 1895 HOH 151) -2.36246263 +1 -10.90913881 +1 17.75318319 +1 0.3418 H( 1896 HOH 151) -3.17185696 +1 -12.13829430 +1 17.29396786 +1 0.3437 O( 1897 HOH 152) 6.56000000 +0 -0.38000000 +0 0.23600000 +0 -0.6697 H( 1898 HOH 152) 7.32136577 +1 0.12350382 +1 -0.13328335 +1 0.3566 H( 1899 HOH 152) 6.23530055 +1 -0.93275497 +1 -0.50728927 +1 0.3547 O( 1900 HOH 153) -4.01000000 +0 -5.64700000 +0 21.65600000 +0 -0.6863 H( 1901 HOH 153) -3.52646056 +1 -5.02651695 +1 22.24888918 +1 0.3536 H( 1902 HOH 153) -4.56691442 +1 -6.17594226 +1 22.24263064 +1 0.3380 O( 1903 HOH 154) 3.96500000 +0 -20.73500100 +0 7.19700000 +0 -0.6289 H( 1904 HOH 154) 3.64098981 +1 -20.37383575 +1 6.35611489 +1 0.3328 H( 1905 HOH 154) 3.16778100 +1 -20.96363453 +1 7.68620458 +1 0.3206 O( 1906 HOH 155) -10.70300000 +0 -3.33100000 +0 -0.48400000 +0 -0.6518 H( 1907 HOH 155) -11.52364299 +1 -3.68724374 +1 -0.11533325 +1 0.3365 H( 1908 HOH 155) -9.99624957 +1 -3.76874187 +1 0.01112941 +1 0.3289 O( 1909 HOH 156) -6.01400000 +0 -12.01600000 +0 22.04800000 +0 -0.6900 H( 1910 HOH 156) -6.36808545 +1 -11.16011944 +1 22.36024244 +1 0.3454 H( 1911 HOH 156) -6.54645390 +1 -12.69357851 +1 22.56265767 +1 0.3600 O( 1912 HOH 157) 6.43700000 +0 -5.53600000 +0 11.71000000 +0 -0.7162 H( 1913 HOH 157) 6.28794069 +1 -5.97463766 +1 10.84827468 +1 0.3533 H( 1914 HOH 157) 5.93931247 +1 -6.10592768 +1 12.35155624 +1 0.3558 O( 1915 HOH 158) -1.46800000 +0 6.01300000 +0 22.22200000 +0 -0.7527 H( 1916 HOH 158) -1.42648285 +1 6.55550692 +1 21.42861220 +1 0.3278 H( 1917 HOH 158) -2.46751238 +1 5.80412481 +1 22.35440138 +1 0.3735 O( 1918 HOH 159) 9.16200000 +0 9.17200000 +0 14.66500000 +0 -0.6699 H( 1919 HOH 159) 8.28478729 +1 8.97560771 +1 14.31626744 +1 0.3341 H( 1920 HOH 159) 9.10565496 +1 8.95300986 +1 15.60674686 +1 0.3394 O( 1921 HOH 160) -0.63400000 +0 6.23800000 +0 24.51700000 +0 -0.6678 H( 1922 HOH 160) -1.02715484 +1 5.37471592 +1 24.27409348 +1 0.3309 H( 1923 HOH 160) -0.77667609 +1 6.78393053 +1 23.70563763 +1 0.3468 O( 1924 HOH 161) -11.70500000 +0 -18.92799900 +0 11.83900000 +0 -0.6960 H( 1925 HOH 161) -11.36515397 +1 -18.07188409 +1 11.50672680 +1 0.3488 H( 1926 HOH 161) -11.38921815 +1 -19.59002441 +1 11.21573469 +1 0.3406 O( 1927 HOH 162) 5.20600000 +0 -4.34700000 +0 3.81300000 +0 -0.6870 H( 1928 HOH 162) 4.60870572 +1 -5.04544634 +1 4.09759246 +1 0.3296 H( 1929 HOH 162) 4.75780464 +1 -3.51265924 +1 4.06716864 +1 0.3537 O( 1930 HOH 163) -19.77100000 +0 -6.47200000 +0 19.75900100 +0 -0.6623 H( 1931 HOH 163) -20.71179404 +1 -6.48686254 +1 19.48046792 +1 0.3476 H( 1932 HOH 163) -19.79168084 +1 -5.91243168 +1 20.60314830 +1 0.3756 O( 1933 HOH 164) -10.15300000 +0 -1.29500000 +0 0.80800000 +0 -0.7104 H( 1934 HOH 164) -10.34163138 +1 -1.48743942 +1 -0.13709262 +1 0.3564 H( 1935 HOH 164) -10.59791796 +1 -2.03418898 +1 1.29135943 +1 0.3531 O( 1936 HOH 165) 3.76300000 +0 3.61800000 +0 1.32600000 +0 -0.6915 H( 1937 HOH 165) 4.32491588 +1 3.06880670 +1 1.99930276 +1 0.3736 H( 1938 HOH 165) 3.34400590 +1 4.32443450 +1 1.88693020 +1 0.3646 O( 1939 HOH 166) 8.26000000 +0 -4.34400000 +0 12.73500000 +0 -0.6807 H( 1940 HOH 166) 7.60574538 +1 -3.84763059 +1 12.21309468 +1 0.3400 H( 1941 HOH 166) 8.17922445 +1 -5.26277618 +1 12.38737292 +1 0.3549 O( 1942 HOH 167) -5.09700000 +0 -15.50400000 +0 12.98100000 +0 -0.6946 H( 1943 HOH 167) -6.04120599 +1 -15.61774656 +1 12.70302700 +1 0.3578 H( 1944 HOH 167) -4.89583821 +1 -16.21337285 +1 13.58477823 +1 0.3251 O( 1945 HOH 168) -11.35900000 +0 -3.91900000 +0 27.28400000 +0 -0.6847 H( 1946 HOH 168) -10.61169696 +1 -3.32822096 +1 27.02567030 +1 0.3583 H( 1947 HOH 168) -11.92534420 +1 -3.97509129 +1 26.49784742 +1 0.3380 O( 1948 HOH 169) 1.53600000 +0 -17.97600000 +0 11.07100000 +0 -0.6589 H( 1949 HOH 169) 1.55951589 +1 -17.06532311 +1 10.72138533 +1 0.3377 H( 1950 HOH 169) 1.63452835 +1 -17.87343906 +1 12.02125104 +1 0.3249 O( 1951 HOH 170) -2.41700000 +0 -1.19700000 +0 -1.18500000 +0 -0.6685 H( 1952 HOH 170) -2.08173691 +1 -0.91836812 +1 -2.03556247 +1 0.3261 H( 1953 HOH 170) -2.09167898 +1 -2.10593629 +1 -1.05154162 +1 0.3427 O( 1954 HOH 171) 1.99800000 +0 5.71300000 +0 24.48100100 +0 -0.7087 H( 1955 HOH 171) 1.03817965 +1 5.99319309 +1 24.56880907 +1 0.3560 H( 1956 HOH 171) 2.35095982 +1 5.76126991 +1 25.39015425 +1 0.3423 O( 1957 HOH 172) -7.01800000 +0 0.21500000 +0 0.74100000 +0 -0.6625 H( 1958 HOH 172) -6.75867124 +1 1.05946805 +1 0.31770778 +1 0.3465 H( 1959 HOH 172) -6.64091831 +1 0.29814165 +1 1.65114437 +1 0.3468 O( 1960 HOH 173) 1.46100000 +0 5.14000000 +0 26.86200000 +0 -0.7254 H( 1961 HOH 173) 0.73969557 +1 5.66218182 +1 27.19403107 +1 0.3238 H( 1962 HOH 173) 2.01723576 +1 4.85097978 +1 27.67802145 +1 0.3779 O( 1963 HOH 174) 1.29300000 +0 -5.29500000 +0 28.39900000 +0 -0.6713 H( 1964 HOH 174) 0.36976981 +1 -5.51805157 +1 28.18249578 +1 0.3493 H( 1965 HOH 174) 1.37354324 +1 -5.31784568 +1 29.34340207 +1 0.3200 O( 1966 HOH 175) 2.32300000 +0 1.06500000 +0 28.84700000 +0 -0.6861 H( 1967 HOH 175) 1.42797491 +1 0.86551192 +1 29.17545276 +1 0.3425 H( 1968 HOH 175) 2.31098700 +1 0.67851718 +1 27.94875621 +1 0.3407 O( 1969 HOH 176) -21.29500000 +0 -8.47800000 +0 22.50900100 +0 -0.6315 H( 1970 HOH 176) -21.16648050 +1 -9.19146220 +1 21.86053892 +1 0.3348 H( 1971 HOH 176) -20.38970273 +1 -8.27019358 +1 22.80915834 +1 0.3369 O( 1972 HOH 177) -21.73800100 +0 -6.28100000 +0 21.09300000 +0 -0.7178 H( 1973 HOH 177) -21.73193921 +1 -7.12325815 +1 21.63774051 +1 0.3597 H( 1974 HOH 177) -22.34399954 +1 -5.68663974 +1 21.51274601 +1 0.3231 O( 1975 HOH 178) -6.35700000 +0 -12.85400000 +0 -3.58100000 +0 -0.7029 H( 1976 HOH 178) -5.58396794 +1 -12.54727261 +1 -4.13942693 +1 0.3673 H( 1977 HOH 178) -6.77757608 +1 -13.53762909 +1 -4.11848241 +1 0.3352 O( 1978 HOH 179) 2.62400000 +0 -20.75099900 +0 -0.24100000 +0 -0.6756 H( 1979 HOH 179) 2.59818684 +1 -21.15159150 +1 0.64078068 +1 0.3383 H( 1980 HOH 179) 2.47119565 +1 -19.81151279 +1 -0.11056159 +1 0.3236 O( 1981 HOH 180) 7.04700000 +0 0.77700000 +0 29.52100000 +0 -0.6813 H( 1982 HOH 180) 7.34423500 +1 -0.15398733 +1 29.60398050 +1 0.3496 H( 1983 HOH 180) 6.17766946 +1 0.81402935 +1 29.91592633 +1 0.3245 O( 1984 HOH 181) 5.39100000 +0 2.63000000 +0 3.16300000 +0 -0.6679 H( 1985 HOH 181) 5.98519940 +1 3.40485989 +1 3.27558959 +1 0.3564 H( 1986 HOH 181) 5.90400896 +1 2.05074492 +1 2.54048379 +1 0.3604 O( 1987 HOH 182) -9.54500000 +0 2.28700000 +0 3.63200000 +0 -0.6623 H( 1988 HOH 182) -9.69968064 +1 2.64937020 +1 2.74480624 +1 0.3418 H( 1989 HOH 182) -8.66345891 +1 2.63571120 +1 3.93258629 +1 0.3493 O( 1990 HOH 183) -17.86899900 +0 -5.08400000 +0 18.56100100 +0 -0.6644 H( 1991 HOH 183) -18.73947624 +1 -5.50930116 +1 18.89440185 +1 0.3707 H( 1992 HOH 183) -17.27532243 +1 -5.17091175 +1 19.35797218 +1 0.3624 O( 1993 HOH 184) 1.72200000 +0 7.91800000 +0 13.20200000 +0 -0.7135 H( 1994 HOH 184) 2.19979279 +1 7.94873118 +1 14.05033214 +1 0.3518 H( 1995 HOH 184) 2.28926128 +1 7.35846769 +1 12.61251659 +1 0.3504 O( 1996 HOH 185) -16.19300100 +0 1.32500000 +0 15.83700000 +0 -0.6702 H( 1997 HOH 185) -16.58912850 +1 1.73367183 +1 16.59888158 +1 0.3243 H( 1998 HOH 185) -15.81228355 +1 0.48114167 +1 16.12163086 +1 0.3385 O( 1999 HOH 186) 5.27300000 +0 -7.58700000 +0 10.77000000 +0 -0.6783 H( 2000 HOH 186) 4.70404566 +1 -7.99315103 +1 10.12024490 +1 0.3348 H( 2001 HOH 186) 5.04550157 +1 -7.94314987 +1 11.63848129 +1 0.3462 O( 2002 HOH 187) -5.53100000 +0 -12.48300000 +0 -5.95300000 +0 -0.6894 H( 2003 HOH 187) -5.81078203 +1 -13.30776111 +1 -6.36567422 +1 0.3340 H( 2004 HOH 187) -4.56424046 +1 -12.41327193 +1 -6.15289710 +1 0.3580 O( 2005 HOH 188) -1.90100000 +0 9.68200000 +0 15.51600000 +0 -0.6760 H( 2006 HOH 188) -2.81824149 +1 9.70813898 +1 15.14576498 +1 0.3641 H( 2007 HOH 188) -1.38060898 +1 9.21001072 +1 14.84314484 +1 0.3474 O( 2008 HOH 189) -5.00400000 +0 6.31900000 +0 10.14100000 +0 -0.7006 H( 2009 HOH 189) -4.91328462 +1 6.80934999 +1 9.30018640 +1 0.3492 H( 2010 HOH 189) -4.09447691 +1 6.01215697 +1 10.35348666 +1 0.3495 O( 2011 HOH 190) 13.32700000 +0 7.28700000 +0 13.70700000 +0 -0.6573 H( 2012 HOH 190) 13.11220687 +1 8.23689752 +1 13.66777901 +1 0.3354 H( 2013 HOH 190) 12.73321225 +1 6.93117853 +1 14.39343194 +1 0.3345 O( 2014 HOH 191) -16.66500100 +0 -0.31800000 +0 10.07500000 +0 -0.6843 H( 2015 HOH 191) -17.13439254 +1 -0.79576887 +1 9.36869874 +1 0.3505 H( 2016 HOH 191) -16.04835504 +1 -0.97651029 +1 10.43586162 +1 0.3462 O( 2017 HOH 192) 11.62900000 +0 6.72900000 +0 11.74600000 +0 -0.7089 H( 2018 HOH 192) 11.18618237 +1 7.57846617 +1 11.89672128 +1 0.3320 H( 2019 HOH 192) 12.48994041 +1 6.81310987 +1 12.22971463 +1 0.3471 O( 2020 HOH 193) 3.32400000 +0 6.92300000 +0 11.20900000 +0 -0.6750 H( 2021 HOH 193) 2.99400859 +1 6.19838675 +1 10.64291680 +1 0.3470 H( 2022 HOH 193) 3.37801676 +1 7.69237078 +1 10.62016099 +1 0.3406 O( 2023 HOH 194) 5.31800000 +0 5.39800000 +0 7.44400000 +0 -0.6921 H( 2024 HOH 194) 4.77501951 +1 5.29427735 +1 8.24495671 +1 0.3353 H( 2025 HOH 194) 6.17587490 +1 4.98600301 +1 7.68269250 +1 0.3555 O( 2026 HOH 195) 2.86800000 +0 -4.19900000 +0 26.43400000 +0 -0.6907 H( 2027 HOH 195) 3.71055893 +1 -4.50207360 +1 26.80606990 +1 0.3401 H( 2028 HOH 195) 2.24142261 +1 -4.17155819 +1 27.17590013 +1 0.3440 O( 2029 HOH 196) -2.54800000 +0 -22.89900000 +0 -2.49500000 +0 -0.7016 H( 2030 HOH 196) -2.79918046 +1 -22.62532804 +1 -1.57133938 +1 0.3641 H( 2031 HOH 196) -2.66972029 +1 -23.84232064 +1 -2.53397440 +1 0.3229 O( 2032 HOH 197) 11.23600000 +0 8.59900000 +0 13.49600000 +0 -0.6819 H( 2033 HOH 197) 10.73101757 +1 8.02350153 +1 14.11058566 +1 0.3496 H( 2034 HOH 197) 10.78968094 +1 9.45807942 +1 13.55489706 +1 0.3385 O( 2035 HOH 198) 8.60100000 +0 -4.19600000 +0 19.15000000 +0 -0.6802 H( 2036 HOH 198) 8.54290628 +1 -3.23695849 +1 19.25710716 +1 0.3308 H( 2037 HOH 198) 7.84024805 +1 -4.56037882 +1 19.64706103 +1 0.3438 O( 2038 HOH 199) 6.33800000 +0 6.66300000 +0 19.83799900 +0 -0.6840 H( 2039 HOH 199) 5.93041573 +1 6.40880931 +1 18.98663193 +1 0.3515 H( 2040 HOH 199) 6.88872391 +1 7.41810716 +1 19.68388546 +1 0.3229 O( 2041 HOH 200) 5.32500000 +0 1.89300000 +0 0.57000000 +0 -0.7635 H( 2042 HOH 200) 4.57658740 +1 1.94114197 +1 -0.07232525 +1 0.3636 H( 2043 HOH 200) 5.59661447 +1 0.89973974 +1 0.53345073 +1 0.3763 O( 2044 HOH 201) -3.56800000 +0 -13.22800000 +0 -7.49500000 +0 -0.6737 H( 2045 HOH 201) -3.71938112 +1 -12.84169852 +1 -8.35571106 +1 0.3246 H( 2046 HOH 201) -2.59225895 +1 -13.25796110 +1 -7.39189814 +1 0.3506 O( 2047 HOH 202) -7.79100000 +0 -13.00800000 +0 23.72400100 +0 -0.6389 H( 2048 HOH 202) -7.54761508 +1 -12.33840717 +1 24.38460124 +1 0.3342 H( 2049 HOH 202) -8.62418302 +1 -12.66733124 +1 23.33657356 +1 0.3357 O( 2050 HOH 203) -8.07400000 +0 -13.17800000 +0 2.21800000 +0 -0.6745 H( 2051 HOH 203) -8.16296277 +1 -14.14003051 +1 2.46103338 +1 0.3689 H( 2052 HOH 203) -7.53859613 +1 -12.79830508 +1 2.94395070 +1 0.3450 O( 2053 HOH 204) -13.16700000 +0 3.47800000 +0 10.44100000 +0 -0.6871 H( 2054 HOH 204) -12.51123909 +1 4.15439650 +1 10.24291679 +1 0.3458 H( 2055 HOH 204) -13.73356336 +1 3.82925220 +1 11.14517164 +1 0.3480 O( 2056 HOH 205) -9.59000000 +0 6.16300000 +0 22.55100100 +0 -0.5712 H( 2057 HOH 205) -10.28278304 +1 5.50916564 +1 22.28982857 +1 0.3439 H( 2058 HOH 205) -9.43874436 +1 6.66184161 +1 21.71453959 +1 0.3441 O( 2059 HOH 206) -16.29999900 +0 -5.34000000 +0 8.42100000 +0 -0.7047 H( 2060 HOH 206) -16.90242397 +1 -6.08132000 +1 8.61840555 +1 0.3539 H( 2061 HOH 206) -15.88271744 +1 -5.57998515 +1 7.56839805 +1 0.3537 O( 2062 HOH 207) 3.97400000 +0 -6.98100000 +0 24.77400000 +0 -0.6696 H( 2063 HOH 207) 4.36462197 +1 -7.79779669 +1 24.38421622 +1 0.3674 H( 2064 HOH 207) 3.97622844 +1 -7.10017505 +1 25.72069000 +1 0.3280 H( 2065 UNK*111) 2.68796184 +1 2.64134890 +1 0.82997155 +1 0.3974 H( 2066 ARG 69) 0.84851284 +1 1.76952343 +1 26.68925608 +1 0.3469