SUMMARY OF PM7 CALCULATION, Site No: 9705 MOPAC2012 (Version: 12.132M) Tue May 22 05:09:01 2012 No. of days left = 90 Empirical Formula: C569 H1058 N159 O278 P S = 2066 atoms START_RES(2) XYZ SETUP GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H Barnase_(1RNB) HERBERTS TEST WAS SATISFIED IN BFGS SCF FIELD WAS ACHIEVED HEAT OF FORMATION = -16741.89542 KCAL/MOL = -70048.09043 KJ/MOL TOTAL ENERGY = -196370.77157 EV ELECTRONIC ENERGY = -17153943.03013 EV CORE-CORE REPULSION = 16957572.25855 EV GRADIENT NORM = 4.09516 DIPOLE = 75.89058 DEBYE NO. OF FILLED LEVELS = 2904 MOLECULAR WEIGHT = 14638.549 MOLECULAR DIMENSIONS (Angstroms) Atom Atom Distance H 589 O 976 44.07831 O 1969 H 1776 39.12562 H 481 H 1497 29.65406 SCF CALCULATIONS = 1 COMPUTATION TIME = 7 MINUTES AND 18.731 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) XYZ SETUP GNORM=5 PDBOUT PL MOZYME NOOPT OPT-H Barnase_(1RNB) N( 1 ALA* 2) -19.37500000 +0 -13.52900000 +0 8.46200000 +0 -0.6481 C( 2 ALA* 2) -18.18800000 +0 -13.62200000 +0 9.35500000 +0 -0.0089 C( 3 ALA* 2) -17.08700000 +0 -12.73200000 +0 8.73500000 +0 0.5795 O( 4 ALA* 2) -15.96700000 +0 -13.13500000 +0 8.46200000 +0 -0.5602 C( 5 ALA 2) -17.66300000 +0 -15.04200000 +0 9.55400000 +0 -0.4835 H( 6 ALA* 2) -18.46987726 +1 -13.17832575 +1 10.34906568 +1 0.1662 H( 7 ALA 2) -16.75979831 +1 -15.04207986 +1 10.18293703 +1 0.1740 H( 8 ALA 2) -18.40440818 +1 -15.68864486 +1 10.03247505 +1 0.1495 H( 9 ALA 2) -17.36614816 +1 -15.50434821 +1 8.60336048 +1 0.1631 H( 10 ALA* 2) -20.19970689 +1 -13.90097106 +1 8.90604875 +1 0.2595 H( 11 ALA* 2) -19.22761127 +1 -14.02285422 +1 7.59494570 +1 0.2556 N( 12 VAL* 3) -17.43100000 +0 -11.37900000 +0 8.61800000 +0 -0.5801 C( 13 VAL* 3) -16.52899900 +0 -10.44600000 +0 7.90100000 +0 -0.0129 C( 14 VAL* 3) -16.41500100 +0 -9.19000000 +0 8.79000000 +0 0.5889 O( 15 VAL* 3) -16.91600000 +0 -8.10200000 +0 8.50600000 +0 -0.6280 C( 16 VAL 3) -17.05400100 +0 -10.07900000 +0 6.48200000 +0 -0.0807 C( 17 VAL 3) -17.36800000 +0 -11.34900000 +0 5.68600000 +0 -0.4564 C( 18 VAL 3) -16.01700000 +0 -9.22200000 +0 5.75400000 +0 -0.4662 H( 19 VAL* 3) -15.50862388 +1 -10.92085197 +1 7.79852533 +1 0.2051 H( 20 VAL 3) -17.99087360 +1 -9.47793581 +1 6.59917813 +1 0.1506 H( 21 VAL 3) -16.50749728 +1 -12.03098492 +1 5.66506771 +1 0.1596 H( 22 VAL 3) -18.21515785 +1 -11.89709948 +1 6.11122555 +1 0.1424 H( 23 VAL 3) -17.62380662 +1 -11.10862200 +1 4.64868916 +1 0.1455 H( 24 VAL 3) -15.84561884 +1 -8.27080866 +1 6.28126004 +1 0.1769 H( 25 VAL 3) -15.05294801 +1 -9.73344498 +1 5.65897267 +1 0.1523 H( 26 VAL 3) -16.35508950 +1 -8.96247831 +1 4.74580313 +1 0.1451 H( 27 VAL* 3) -18.41843372 +1 -11.14179164 +1 8.58710223 +1 0.3257 N( 28 ILE* 4) -15.71200000 +0 -9.34800000 +0 9.97200000 +0 -0.5817 C( 29 ILE* 4) -15.51600000 +0 -8.19700000 +0 10.87700000 +0 -0.0039 C( 30 ILE* 4) -14.10600000 +0 -7.63000000 +0 10.57500000 +0 0.5828 O( 31 ILE* 4) -13.16100000 +0 -7.71100000 +0 11.34400000 +0 -0.5637 C( 32 ILE 4) -15.61600000 +0 -8.61300000 +0 12.37200000 +0 -0.0972 C( 33 ILE 4) -15.53200000 +0 -7.35800000 +0 13.24500000 +0 -0.4556 C( 34 ILE 4) -16.90200000 +0 -9.41000000 +0 12.66600000 +0 -0.2677 C( 35 ILE 4) -16.82099900 +0 -10.12900000 +0 14.01100000 +0 -0.4335 H( 36 ILE* 4) -16.29339670 +1 -7.41517800 +1 10.66137256 +1 0.1758 H( 37 ILE 4) -14.73647570 +1 -9.27098236 +1 12.59525250 +1 0.1655 H( 38 ILE 4) -14.57744900 +1 -6.83247163 +1 13.10730182 +1 0.1615 H( 39 ILE 4) -15.59674105 +1 -7.61081772 +1 14.31095162 +1 0.1554 H( 40 ILE 4) -16.34548106 +1 -6.65668955 +1 13.03675996 +1 0.1402 H( 41 ILE 4) -17.77791537 +1 -8.73622091 +1 12.64323907 +1 0.1360 H( 42 ILE 4) -17.07803428 +1 -10.15380607 +1 11.86307488 +1 0.1497 H( 43 ILE 4) -16.71413498 +1 -9.42194179 +1 14.84148528 +1 0.1422 H( 44 ILE 4) -15.97283876 +1 -10.82524848 +1 14.04781143 +1 0.1460 H( 45 ILE 4) -17.72787659 +1 -10.71518455 +1 14.19811727 +1 0.1398 H( 46 ILE* 4) -15.13454351 +1 -10.17278928 +1 10.14952655 +1 0.3618 N( 47 ASN* 5) -13.99800000 +0 -6.97600000 +0 9.34700000 +0 -0.6177 C( 48 ASN* 5) -12.69300000 +0 -6.58000000 +0 8.78900000 +0 0.0492 C( 49 ASN* 5) -12.59000000 +0 -5.06200000 +0 8.52900000 +0 0.5993 O( 50 ASN* 5) -11.56900000 +0 -4.58700000 +0 8.02000000 +0 -0.6641 C( 51 ASN 5) -12.39400000 +0 -7.32900000 +0 7.48400000 +0 -0.3881 C( 52 ASN 5) -13.32600000 +0 -6.98000000 +0 6.35000000 +0 0.6359 N( 53 ASN 5) -12.88600000 +0 -7.27100000 +0 5.07500000 +0 -0.6492 O( 54 ASN 5) -14.45000000 +0 -6.49000000 +0 6.50100000 +0 -0.6623 H( 55 ASN* 5) -11.88579466 +1 -6.82708283 +1 9.55582132 +1 0.2288 H( 56 ASN 5) -11.32911454 +1 -7.13620328 +1 7.20140913 +1 0.2186 H( 57 ASN 5) -12.43868475 +1 -8.43243195 +1 7.66817374 +1 0.2114 H( 58 ASN 5) -11.91403992 +1 -7.43554621 +1 4.88141900 +1 0.3341 H( 59 ASN 5) -13.44879944 +1 -7.05101171 +1 4.27881032 +1 0.3054 H( 60 ASN* 5) -14.76549890 +1 -6.99579658 +1 8.67887095 +1 0.3440 N( 61 THR* 6) -13.64600000 +0 -4.23700000 +0 8.86100000 +0 -0.5404 C( 62 THR* 6) -13.56500000 +0 -2.78000000 +0 8.67200000 +0 -0.0466 C( 63 THR* 6) -13.12400000 +0 -2.14300000 +0 10.00600000 +0 0.6010 O( 64 THR* 6) -13.37100000 +0 -2.65900000 +0 11.09900000 +0 -0.6531 C( 65 THR 6) -14.92000000 +0 -2.18400000 +0 8.17900000 +0 0.1814 C( 66 THR 6) -15.27300000 +0 -2.68000000 +0 6.79300000 +0 -0.5153 O( 67 THR 6) -15.97200000 +0 -2.48100000 +0 9.10800000 +0 -0.6388 H( 68 THR* 6) -12.78651640 +1 -2.55657532 +1 7.87702661 +1 0.2071 H( 69 THR 6) -14.87993044 +1 -1.06827079 +1 8.23816255 +1 0.1478 H( 70 THR 6) -16.28812736 +1 -2.37638064 +1 6.50755040 +1 0.1638 H( 71 THR 6) -15.22953193 +1 -3.77800124 +1 6.71689784 +1 0.1786 H( 72 THR 6) -14.58781830 +1 -2.29095483 +1 6.02499151 +1 0.1908 H( 73 THR 6) -16.28406145 +1 -3.41373959 +1 8.98775052 +1 0.3756 H( 74 THR* 6) -14.52426323 +1 -4.61432804 +1 9.20219973 +1 0.3516 N( 75 PHE* 7) -12.41100000 +0 -0.96800000 +0 9.90700000 +0 -0.6122 C( 76 PHE* 7) -11.71200000 +0 -0.36400000 +0 11.06700000 +0 0.0491 C( 77 PHE* 7) -12.59300000 +0 -0.31100000 +0 12.33700000 +0 0.5960 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 -0.3259 C( 80 PHE 7) -10.12900000 +0 1.12700000 +0 9.74400000 +0 0.0057 C( 81 PHE 7) -10.34200000 +0 1.68600000 +0 8.47400000 +0 -0.1574 C( 82 PHE 7) -9.27700000 +0 1.81400000 +0 7.57800000 +0 -0.1660 C( 83 PHE 7) -7.99600000 +0 1.38400000 +0 7.93600000 +0 -0.1591 C( 84 PHE 7) -7.79000000 +0 0.78900000 +0 9.18500000 +0 -0.1484 C( 85 PHE 7) -8.84900000 +0 0.66300000 +0 10.09000000 +0 -0.1820 H( 86 PHE* 7) -10.82699363 +1 -1.01994116 +1 11.30971297 +1 0.1752 H( 87 PHE 7) -10.93549505 +1 1.57960785 +1 11.68160849 +1 0.1755 H( 88 PHE 7) -12.12144953 +1 1.66875824 +1 10.38434297 +1 0.2034 H( 89 PHE 7) -11.34097790 +1 2.01657080 +1 8.18637150 +1 0.1733 H( 90 PHE 7) -8.68084404 +1 0.20758820 +1 11.06288410 +1 0.1521 H( 91 PHE 7) -6.79700366 +1 0.42850532 +1 9.45552913 +1 0.1642 H( 92 PHE 7) -7.16035821 +1 1.51510442 +1 7.24713767 +1 0.1693 H( 93 PHE 7) -9.44466898 +1 2.25120332 +1 6.59452305 +1 0.1549 H( 94 PHE* 7) -12.38830687 +1 -0.41767108 +1 9.03262388 +1 0.3735 N( 95 ASP* 8) -13.89700000 +0 0.13600000 +0 12.17600000 +0 -0.6222 C( 96 ASP* 8) -14.78900000 +0 0.30900000 +0 13.34400000 +0 0.0513 C( 97 ASP* 8) -15.08800000 +0 -1.04900000 +0 14.03500000 +0 0.5822 O( 98 ASP* 8) -15.16400000 +0 -1.11800000 +0 15.26100000 +0 -0.6096 C( 99 ASP 8) -16.12000100 +0 0.95900000 +0 12.94900000 +0 -0.4324 C( 100 ASP 8) -15.92500000 +0 2.17800000 +0 12.09300000 +0 0.6669 O( 101 ASP 8) -16.58600000 +0 2.14900000 +0 10.88100000 +0 -0.5962 O( 102 ASP 8) -15.24900000 +0 3.15200000 +0 12.31000000 +0 -0.4639 H( 103 ASP* 8) -14.25282212 +1 0.95793409 +1 14.10461380 +1 0.2062 H( 104 ASP 8) -16.67542388 +1 1.28062903 +1 13.87894944 +1 0.2508 H( 105 ASP 8) -16.79815755 +1 0.22125146 +1 12.46652739 +1 0.1887 H( 106 ASP 8) -17.03317792 +1 1.28239702 +1 10.67563231 +1 0.3807 H( 107 ASP* 8) -14.24607721 +1 0.39801039 +1 11.25153497 +1 0.3591 N( 108 GLY* 9) -15.34500000 +0 -2.13900000 +0 13.22000000 +0 -0.5535 C( 109 GLY* 9) -15.62500000 +0 -3.45600000 +0 13.81400000 +0 -0.1565 C( 110 GLY* 9) -14.40000000 +0 -4.20900000 +0 14.32400000 +0 0.5823 O( 111 GLY* 9) -14.50300000 +0 -5.04300000 +0 15.22800000 +0 -0.6267 H( 112 GLY* 9) -16.35067199 +1 -3.31589849 +1 14.67038153 +1 0.2385 H( 113 GLY* 9) -16.15689382 +1 -4.09014603 +1 13.06380530 +1 0.1872 H( 114 GLY* 9) -14.99976691 +1 -2.14687230 +1 12.26078300 +1 0.3418 N( 115 VAL* 10) -13.15700000 +0 -3.88400000 +0 13.81200000 +0 -0.5890 C( 116 VAL* 10) -11.96800000 +0 -4.64600000 +0 14.26300000 +0 0.0012 C( 117 VAL* 10) -11.47500000 +0 -4.03800000 +0 15.58800000 +0 0.5672 O( 118 VAL* 10) -11.14000000 +0 -4.75900000 +0 16.52199900 +0 -0.6004 C( 119 VAL 10) -10.85800000 +0 -4.67300000 +0 13.17600000 +0 -0.0779 C( 120 VAL 10) -11.42600000 +0 -5.25600000 +0 11.88500000 +0 -0.4853 C( 121 VAL 10) -9.66700000 +0 -5.49300000 +0 13.67900000 +0 -0.4477 H( 122 VAL* 10) -12.28035606 +1 -5.71067666 +1 14.48942581 +1 0.2008 H( 123 VAL 10) -10.51894542 +1 -3.62526470 +1 12.98214611 +1 0.1319 H( 124 VAL 10) -10.63305170 +1 -5.44276531 +1 11.14803311 +1 0.1736 H( 125 VAL 10) -11.91242822 +1 -6.22528664 +1 12.06447348 +1 0.1863 H( 126 VAL 10) -12.16284299 +1 -4.59923929 +1 11.41080126 +1 0.1582 H( 127 VAL 10) -9.24763623 +1 -5.08556529 +1 14.60675985 +1 0.1498 H( 128 VAL 10) -9.95701366 +1 -6.53273757 +1 13.88461350 +1 0.1617 H( 129 VAL 10) -8.87501932 +1 -5.53303480 +1 12.92167100 +1 0.1503 H( 130 VAL* 10) -13.06027648 +1 -3.30088554 +1 12.98490721 +1 0.3555 N( 131 ALA* 11) -11.42900000 +0 -2.65500000 +0 15.69000000 +0 -0.6125 C( 132 ALA* 11) -11.17800000 +0 -2.00900000 +0 16.99799900 +0 0.0526 C( 133 ALA* 11) -12.28700000 +0 -2.31100000 +0 18.03800000 +0 0.5774 O( 134 ALA* 11) -11.99700000 +0 -2.51100000 +0 19.20900000 +0 -0.5811 C( 135 ALA 11) -11.04300000 +0 -0.50300000 +0 16.83499900 +0 -0.4726 H( 136 ALA* 11) -10.22816385 +1 -2.45202528 +1 17.42420174 +1 0.1805 H( 137 ALA 11) -10.16249426 +1 -0.23232683 +1 16.23123207 +1 0.1695 H( 138 ALA 11) -10.93170593 +1 -0.00720953 +1 17.81144394 +1 0.1762 H( 139 ALA 11) -11.91804702 +1 -0.05912891 +1 16.33646158 +1 0.1713 H( 140 ALA* 11) -11.64424335 +1 -2.05403704 +1 14.89765431 +1 0.3548 N( 141 ASP* 12) -13.60200000 +0 -2.40900000 +0 17.59199900 +0 -0.6136 C( 142 ASP* 12) -14.68000000 +0 -2.70500000 +0 18.56600000 +0 0.0526 C( 143 ASP* 12) -14.69700000 +0 -4.20800000 +0 18.94300100 +0 0.5707 O( 144 ASP* 12) -15.20900000 +0 -4.56700000 +0 20.00400000 +0 -0.6185 C( 145 ASP 12) -16.05600000 +0 -2.32300000 +0 18.02000000 +0 -0.4534 C( 146 ASP 12) -16.99200100 +0 -1.95400000 +0 19.15200000 +0 0.7024 O( 147 ASP 12) -18.10000000 +0 -2.69400000 +0 19.28800000 +0 -0.6211 O( 148 ASP 12) -16.79900000 +0 -1.03400000 +0 19.92300000 +0 -0.5509 H( 149 ASP* 12) -14.45416590 +1 -2.13372454 +1 19.51837374 +1 0.1984 H( 150 ASP 12) -16.48851692 +1 -3.11281380 +1 17.36176019 +1 0.2252 H( 151 ASP 12) -15.97799303 +1 -1.44302261 +1 17.33746446 +1 0.2063 H( 152 ASP 12) -18.08005245 +1 -3.64651297 +1 18.85244852 +1 0.4180 H( 153 ASP* 12) -13.86927802 +1 -2.24200459 +1 16.63069633 +1 0.3459 N( 154 TYR* 13) -14.16300000 +0 -5.11900000 +0 18.05900000 +0 -0.5818 C( 155 TYR* 13) -13.99200000 +0 -6.54500000 +0 18.42200100 +0 0.0450 C( 156 TYR* 13) -12.85300000 +0 -6.68200000 +0 19.46400100 +0 0.5848 O( 157 TYR* 13) -13.08200000 +0 -7.18200000 +0 20.56399900 +0 -0.6263 C( 158 TYR 13) -13.71600000 +0 -7.37900000 +0 17.15900000 +0 -0.3053 C( 159 TYR 13) -13.78300000 +0 -8.84700000 +0 17.46400100 +0 -0.0950 C( 160 TYR 13) -14.91500000 +0 -9.59900000 +0 17.12100000 +0 -0.0982 C( 161 TYR 13) -14.97700000 +0 -10.96800000 +0 17.39900000 +0 -0.3038 C( 162 TYR 13) -13.89100000 +0 -11.56000000 +0 18.05900000 +0 0.3053 C( 163 TYR 13) -12.74400000 +0 -10.82600000 +0 18.41099900 +0 -0.2526 C( 164 TYR 13) -12.69500000 +0 -9.47600000 +0 18.09900100 +0 -0.0844 O( 165 TYR 13) -13.85200000 +0 -12.88300000 +0 18.40300000 +0 -0.4785 H( 166 TYR* 13) -14.93559696 +1 -6.90589302 +1 18.92659308 +1 0.1896 H( 167 TYR 13) -12.72672621 +1 -7.11413596 +1 16.72537115 +1 0.1670 H( 168 TYR 13) -14.44938085 +1 -7.10415713 +1 16.36757154 +1 0.1751 H( 169 TYR 13) -15.76021490 +1 -9.11285344 +1 16.63833761 +1 0.1423 H( 170 TYR 13) -11.81051523 +1 -8.88836644 +1 18.36068525 +1 0.1821 H( 171 TYR 13) -11.91137930 +1 -11.32929226 +1 18.90673853 +1 0.1827 H( 172 TYR 13) -14.59685331 +1 -13.40688078 +1 18.00111973 +1 0.3531 H( 173 TYR 13) -15.84964466 +1 -11.54992230 +1 17.13335165 +1 0.1590 H( 174 TYR* 13) -13.77988024 +1 -4.83025232 +1 17.16306852 +1 0.3449 N( 175 LEU* 14) -11.61500000 +0 -6.16600000 +0 19.14800100 +0 -0.5914 C( 176 LEU* 14) -10.45100000 +0 -6.30800000 +0 20.06300000 +0 0.0266 C( 177 LEU* 14) -10.74600000 +0 -5.71400000 +0 21.46100000 +0 0.5762 O( 178 LEU* 14) -10.34400000 +0 -6.26000000 +0 22.47900000 +0 -0.5669 C( 179 LEU 14) -9.23200000 +0 -5.59000000 +0 19.46600000 +0 -0.3220 C( 180 LEU 14) -8.49800000 +0 -6.44700000 +0 18.40700000 +0 -0.0444 C( 181 LEU 14) -7.34100000 +0 -7.22200000 +0 19.04600000 +0 -0.4614 C( 182 LEU 14) -7.99900000 +0 -5.55000000 +0 17.26800000 +0 -0.4719 H( 183 LEU* 14) -10.24297065 +1 -7.41003929 +1 20.19511764 +1 0.2014 H( 184 LEU 14) -8.52449441 +1 -5.32058347 +1 20.27699508 +1 0.1638 H( 185 LEU 14) -9.54322991 +1 -4.62159375 +1 19.02485130 +1 0.1533 H( 186 LEU 14) -9.22282042 +1 -7.18724119 +1 17.97790900 +1 0.1562 H( 187 LEU 14) -6.59554525 +1 -6.55294802 +1 19.48972329 +1 0.1469 H( 188 LEU 14) -7.70739566 +1 -7.89678816 +1 19.82998727 +1 0.1570 H( 189 LEU 14) -6.81844956 +1 -7.83474478 +1 18.30328033 +1 0.1412 H( 190 LEU 14) -8.83372217 +1 -5.03584533 +1 16.77710672 +1 0.1540 H( 191 LEU 14) -7.29737055 +1 -4.79214106 +1 17.63124251 +1 0.1384 H( 192 LEU 14) -7.47047280 +1 -6.13460953 +1 16.50774281 +1 0.1408 H( 193 LEU* 14) -11.45438762 +1 -5.62611032 +1 18.30313239 +1 0.3490 N( 194 GLN* 15) -11.44900000 +0 -4.51800000 +0 21.49700000 +0 -0.6119 C( 195 GLN* 15) -11.77300000 +0 -3.83500000 +0 22.76800000 +0 0.0378 C( 196 GLN* 15) -12.86200000 +0 -4.55100000 +0 23.60100000 +0 0.5782 O( 197 GLN* 15) -13.00400000 +0 -4.27200000 +0 24.78700100 +0 -0.5771 C( 198 GLN 15) -12.16600000 +0 -2.37100000 +0 22.46999900 +0 -0.2927 C( 199 GLN 15) -13.59900000 +0 -1.99400000 +0 22.85700000 +0 -0.3648 C( 200 GLN 15) -13.79300000 +0 -0.49700000 +0 22.76300000 +0 0.6196 N( 201 GLN 15) -14.76600000 +0 -0.02700000 +0 21.89900000 +0 -0.6680 O( 202 GLN 15) -13.11500000 +0 0.30500000 +0 23.40399900 +0 -0.6226 H( 203 GLN* 15) -10.84150514 +1 -3.85678830 +1 23.41576920 +1 0.2002 H( 204 GLN 15) -11.45076305 +1 -1.70083617 +1 23.00046533 +1 0.1805 H( 205 GLN 15) -12.00135530 +1 -2.13590029 +1 21.39455744 +1 0.1794 H( 206 GLN 15) -13.81369599 +1 -2.28691683 +1 23.91569223 +1 0.2053 H( 207 GLN 15) -14.32814677 +1 -2.55540453 +1 22.24131453 +1 0.1662 H( 208 GLN 15) -14.96985587 +1 0.95048512 +1 21.86078213 +1 0.3076 H( 209 GLN 15) -15.36362814 +1 -0.62639215 +1 21.36521436 +1 0.3296 H( 210 GLN* 15) -11.82810692 +1 -4.10000988 +1 20.65420618 +1 0.3377 N( 211 THR* 16) -13.72100000 +0 -5.43700000 +0 22.96400100 +0 -0.5953 C( 212 THR* 16) -14.79000000 +0 -6.11700000 +0 23.71999900 +0 -0.0403 C( 213 THR* 16) -14.39800000 +0 -7.55200000 +0 24.14200000 +0 0.5775 O( 214 THR* 16) -14.62200000 +0 -7.95300000 +0 25.27599900 +0 -0.5786 C( 215 THR 16) -16.08700000 +0 -6.16900000 +0 22.86300100 +0 0.1629 C( 216 THR 16) -17.26000000 +0 -6.73200000 +0 23.63999900 +0 -0.4849 O( 217 THR 16) -16.47500000 +0 -4.80700000 +0 22.54999900 +0 -0.5816 H( 218 THR* 16) -14.99010423 +1 -5.53039578 +1 24.66791679 +1 0.2185 H( 219 THR 16) -15.91556812 +1 -6.69911019 +1 21.89824221 +1 0.1385 H( 220 THR 16) -17.53044259 +1 -6.08307796 +1 24.48543748 +1 0.1730 H( 221 THR 16) -17.04344944 +1 -7.73276306 +1 24.04459434 +1 0.1803 H( 222 THR 16) -18.15024382 +1 -6.82243088 +1 23.00366639 +1 0.1600 H( 223 THR 16) -15.80801569 +1 -4.42102379 +1 21.93498950 +1 0.3465 H( 224 THR* 16) -13.55772102 +1 -5.73043106 +1 22.00704579 +1 0.3409 N( 225 TYR* 17) -13.77800000 +0 -8.33000000 +0 23.17700000 +0 -0.5969 C( 226 TYR* 17) -13.49000000 +0 -9.76900000 +0 23.36599900 +0 0.0255 C( 227 TYR* 17) -11.97000000 +0 -10.02400000 +0 23.43499900 +0 0.5827 O( 228 TYR* 17) -11.51900000 +0 -11.16500000 +0 23.47699900 +0 -0.5880 C( 229 TYR 17) -14.10800000 +0 -10.59800000 +0 22.21699900 +0 -0.2989 C( 230 TYR 17) -15.49500000 +0 -10.12300000 +0 21.88400100 +0 -0.0463 C( 231 TYR 17) -15.71500000 +0 -9.32700000 +0 20.75200100 +0 -0.1022 C( 232 TYR 17) -16.98800100 +0 -8.81700000 +0 20.47400100 +0 -0.3211 C( 233 TYR 17) -18.03100000 +0 -9.13700000 +0 21.34700000 +0 0.3092 C( 234 TYR 17) -17.84800000 +0 -9.95600000 +0 22.47400100 +0 -0.2764 C( 235 TYR 17) -16.57200100 +0 -10.44600000 +0 22.73200000 +0 -0.0732 O( 236 TYR 17) -19.30400100 +0 -8.63800000 +0 21.17600100 +0 -0.6176 H( 237 TYR* 17) -13.92989136 +1 -10.13139273 +1 24.34706683 +1 0.2291 H( 238 TYR 17) -14.12985389 +1 -11.67362251 +1 22.51603279 +1 0.1962 H( 239 TYR 17) -13.45746452 +1 -10.56797256 +1 21.31892905 +1 0.1592 H( 240 TYR 17) -14.88391022 +1 -9.09082374 +1 20.08402327 +1 0.1629 H( 241 TYR 17) -16.39959750 +1 -11.08834784 +1 23.60574870 +1 0.2020 H( 242 TYR 17) -18.68330135 +1 -10.19549807 +1 23.12126023 +1 0.1637 H( 243 TYR 17) -19.36939289 +1 -7.85471286 +1 20.54886555 +1 0.3914 H( 244 TYR 17) -17.16428430 +1 -8.19759893 +1 19.60490914 +1 0.1554 H( 245 TYR* 17) -13.67532605 +1 -7.99426731 +1 22.22378565 +1 0.3462 N( 246 HIS* 18) -11.10900000 +0 -8.92700000 +0 23.34400000 +0 -0.5965 C( 247 HIS* 18) -9.67800000 +0 -9.01200000 +0 23.71400100 +0 0.0419 C( 248 HIS* 18) -8.91500000 +0 -9.95300000 +0 22.77000000 +0 0.6134 O( 249 HIS* 18) -7.98300000 +0 -10.66900000 +0 23.15900000 +0 -0.6706 C( 250 HIS 18) -9.46500000 +0 -9.43300000 +0 25.18300100 +0 -0.2788 C( 251 HIS 18) -10.06300000 +0 -8.42300000 +0 26.09199900 +0 0.0486 C( 252 HIS 18) -9.70400000 +0 -7.07400000 +0 26.24099900 +0 -0.1433 N( 253 HIS 18) -10.59500000 +0 -6.53100000 +0 27.16799900 +0 -0.3280 C( 254 HIS 18) -11.47500000 +0 -7.55100000 +0 27.54200000 +0 0.0809 N( 255 HIS 18) -11.16300000 +0 -8.71200000 +0 26.90600000 +0 -0.4512 H( 256 HIS* 18) -9.24056986 +1 -7.97168110 +1 23.56716094 +1 0.2032 H( 257 HIS 18) -8.37932852 +1 -9.55249361 +1 25.38620752 +1 0.1690 H( 258 HIS 18) -9.91879226 +1 -10.43583312 +1 25.36130343 +1 0.1886 H( 259 HIS 18) -8.92282358 +1 -6.50382894 +1 25.78250869 +1 0.1859 H( 260 HIS 18) -12.28013896 +1 -7.41631057 +1 28.24033440 +1 0.1865 H( 261 HIS 18) -10.70628064 +1 -5.53606920 +1 27.37405796 +1 0.3667 H( 262 HIS* 18) -11.47564559 +1 -7.98272077 +1 23.29669841 +1 0.3456 N( 263 LYS* 19) -9.22000000 +0 -9.86600000 +0 21.42300000 +0 -0.5625 C( 264 LYS* 19) -8.65500000 +0 -10.81900000 +0 20.43600100 +0 0.0245 C( 265 LYS* 19) -9.12400000 +0 -10.35500000 +0 19.04500000 +0 0.5724 O( 266 LYS* 19) -9.78900000 +0 -9.33400000 +0 18.87999900 +0 -0.5897 C( 267 LYS 19) -9.04600000 +0 -12.28200000 +0 20.71800000 +0 -0.3130 C( 268 LYS 19) -10.55300000 +0 -12.52600000 +0 20.73700000 +0 -0.2770 C( 269 LYS 19) -10.88900000 +0 -14.01600000 +0 20.84700000 +0 -0.3202 C( 270 LYS 19) -12.39000000 +0 -14.23200000 +0 21.12299900 +0 -0.1035 N( 271 LYS 19) -12.82400000 +0 -13.93000000 +0 22.51100000 +0 -0.6411 H( 272 LYS* 19) -7.53169776 +1 -10.71594916 +1 20.47595502 +1 0.1764 H( 273 LYS 19) -8.60558213 +1 -12.59257069 +1 21.68833370 +1 0.1690 H( 274 LYS 19) -8.56525094 +1 -12.94456099 +1 19.97005244 +1 0.1512 H( 275 LYS 19) -11.01677546 +1 -11.96779478 +1 21.57630750 +1 0.1750 H( 276 LYS 19) -11.01506313 +1 -12.12081561 +1 19.80962632 +1 0.1435 H( 277 LYS 19) -10.28841694 +1 -14.48907054 +1 21.64475492 +1 0.1369 H( 278 LYS 19) -10.60971683 +1 -14.53287748 +1 19.90989718 +1 0.1409 H( 279 LYS 19) -12.67189568 +1 -15.27907536 +1 20.89088881 +1 0.1266 H( 280 LYS 19) -12.99813222 +1 -13.58883893 +1 20.44370198 +1 0.1613 H( 281 LYS 19) -12.48114772 +1 -13.02765632 +1 22.82211186 +1 0.2700 H( 282 LYS 19) -12.48467138 +1 -14.62010926 +1 23.15949427 +1 0.2355 H( 283 LYS* 19) -10.02837359 +1 -9.32649086 +1 21.12045820 +1 0.3444 N( 284 LEU* 20) -8.72300000 +0 -11.14100000 +0 17.98000000 +0 -0.5735 C( 285 LEU* 20) -9.15300000 +0 -10.82300000 +0 16.60500000 +0 0.0290 C( 286 LEU* 20) -10.39300000 +0 -11.67200000 +0 16.23600000 +0 0.5550 O( 287 LEU* 20) -10.60900000 +0 -12.79200000 +0 16.68400000 +0 -0.5584 C( 288 LEU 20) -8.05500000 +0 -11.15600000 +0 15.58300000 +0 -0.3209 C( 289 LEU 20) -6.85100000 +0 -10.19600000 +0 15.65600000 +0 -0.0435 C( 290 LEU 20) -7.24800000 +0 -8.77500000 +0 15.24400000 +0 -0.4671 C( 291 LEU 20) -5.72100000 +0 -10.72100000 +0 14.77000000 +0 -0.4691 H( 292 LEU* 20) -9.41006625 +1 -9.72613506 +1 16.57209811 +1 0.1842 H( 293 LEU 20) -7.71259785 +1 -12.20076806 +1 15.72313580 +1 0.1562 H( 294 LEU 20) -8.48219011 +1 -11.13297887 +1 14.55792059 +1 0.1659 H( 295 LEU 20) -6.49970921 +1 -10.15826899 +1 16.71982995 +1 0.1215 H( 296 LEU 20) -6.37083632 +1 -8.11413314 +1 15.24196701 +1 0.1508 H( 297 LEU 20) -7.97365543 +1 -8.33682131 +1 15.93895929 +1 0.1481 H( 298 LEU 20) -7.67909430 +1 -8.75160721 +1 14.23777242 +1 0.1481 H( 299 LEU 20) -4.83430587 +1 -10.08149204 +1 14.82085480 +1 0.1639 H( 300 LEU 20) -5.40564745 +1 -11.73239886 +1 15.05329870 +1 0.1528 H( 301 LEU 20) -6.03412866 +1 -10.77774431 +1 13.71896861 +1 0.1532 H( 302 LEU* 20) -8.17255582 +1 -11.97603931 +1 18.12399879 +1 0.3374 N( 303 PRO* 21) -11.21700000 +0 -11.14500000 +0 15.25000000 +0 -0.5225 C( 304 PRO* 21) -12.37200000 +0 -11.91500000 +0 14.72600000 +0 0.0359 C( 305 PRO* 21) -11.83900000 +0 -13.08300000 +0 13.87400000 +0 0.5862 O( 306 PRO* 21) -10.86100000 +0 -13.01800000 +0 13.14000000 +0 -0.5882 C( 307 PRO 21) -13.18400000 +0 -10.93900000 +0 13.85100000 +0 -0.2881 C( 308 PRO 21) -12.58900000 +0 -9.53800000 +0 14.08500000 +0 -0.2832 C( 309 PRO 21) -11.21900000 +0 -9.73800000 +0 14.75000000 +0 -0.0365 H( 310 PRO* 21) -12.98105302 +1 -12.29336346 +1 15.59131072 +1 0.1838 H( 311 PRO 21) -14.25455820 +1 -10.97186546 +1 14.12215825 +1 0.1526 H( 312 PRO 21) -13.13251222 +1 -11.20787726 +1 12.77697323 +1 0.1728 H( 313 PRO 21) -13.25519878 +1 -8.93817062 +1 14.73296161 +1 0.1541 H( 314 PRO 21) -12.49810917 +1 -8.97892227 +1 13.13279890 +1 0.1771 H( 315 PRO 21) -11.07255977 +1 -9.03343796 +1 15.59563997 +1 0.1422 H( 316 PRO 21) -10.38507104 +1 -9.60791793 +1 14.02810668 +1 0.1396 N( 317 ASN* 22) -12.65700000 +0 -14.22100000 +0 13.90000000 +0 -0.6327 C( 318 ASN* 22) -12.21200000 +0 -15.47600000 +0 13.25400000 +0 0.0381 C( 319 ASN* 22) -12.03200000 +0 -15.35400000 +0 11.72700000 +0 0.5799 O( 320 ASN* 22) -11.45200000 +0 -16.25900100 +0 11.12100000 +0 -0.6192 C( 321 ASN 22) -13.19400000 +0 -16.62000100 +0 13.54700000 +0 -0.3939 C( 322 ASN 22) -12.80800000 +0 -17.35400000 +0 14.82100000 +0 0.6098 N( 323 ASN 22) -12.17600000 +0 -18.56699900 +0 14.66200000 +0 -0.6577 O( 324 ASN 22) -13.04900000 +0 -16.92600100 +0 15.94700000 +0 -0.6001 H( 325 ASN* 22) -11.17765999 +1 -15.74125500 +1 13.64024748 +1 0.1859 H( 326 ASN 22) -14.23188389 +1 -16.23136682 +1 13.65840411 +1 0.1925 H( 327 ASN 22) -13.25276843 +1 -17.32426347 +1 12.68452816 +1 0.2020 H( 328 ASN 22) -11.89419738 +1 -19.09846780 +1 15.45986931 +1 0.3121 H( 329 ASN 22) -11.91814089 +1 -18.91030613 +1 13.74538372 +1 0.3496 H( 330 ASN* 22) -13.24631165 +1 -14.36182856 +1 14.74035027 +1 0.3623 N( 331 ASP* 23) -12.45800000 +0 -14.23800000 +0 11.03300000 +0 -0.5573 C( 332 ASP* 23) -11.99700000 +0 -14.04400000 +0 9.64600000 +0 0.0396 C( 333 ASP* 23) -10.57200000 +0 -13.43400000 +0 9.54000000 +0 0.5835 O( 334 ASP* 23) -10.23100000 +0 -12.97000000 +0 8.44500000 +0 -0.6752 C( 335 ASP 23) -12.99000000 +0 -13.22600000 +0 8.82700000 +0 -0.4257 C( 336 ASP 23) -13.35800000 +0 -11.87700000 +0 9.38300000 +0 0.7145 O( 337 ASP 23) -13.33500000 +0 -10.83600000 +0 8.53500000 +0 -0.6306 O( 338 ASP 23) -13.75500000 +0 -11.67200000 +0 10.52300000 +0 -0.5891 H( 339 ASP* 23) -11.90459337 +1 -15.07463723 +1 9.16043494 +1 0.1984 H( 340 ASP 23) -13.94934559 +1 -13.80313916 +1 8.72048011 +1 0.2267 H( 341 ASP 23) -12.62458087 +1 -13.14433307 +1 7.77025400 +1 0.2301 H( 342 ASP 23) -12.66311889 +1 -10.93773881 +1 7.73290775 +1 0.4244 H( 343 ASP* 23) -12.93728874 +1 -13.45405360 +1 11.46781613 +1 0.3556 N( 344 TYR* 24) -9.68300000 +0 -13.56400000 +0 10.57500000 +0 -0.5289 C( 345 TYR* 24) -8.30200000 +0 -13.04000000 +0 10.47500000 +0 0.0310 C( 346 TYR* 24) -7.31900000 +0 -14.19600000 +0 10.76400000 +0 0.5989 O( 347 TYR* 24) -7.39500000 +0 -14.90900000 +0 11.76600000 +0 -0.6144 C( 348 TYR 24) -8.06200000 +0 -11.93600000 +0 11.52400000 +0 -0.3161 C( 349 TYR 24) -8.54000000 +0 -10.61200000 +0 11.00600000 +0 -0.0597 C( 350 TYR 24) -9.78700000 +0 -10.10000000 +0 11.40200000 +0 -0.1165 C( 351 TYR 24) -10.22100000 +0 -8.86200000 +0 10.93300000 +0 -0.2478 C( 352 TYR 24) -9.38000000 +0 -8.14700000 +0 10.06800000 +0 0.2841 C( 353 TYR 24) -8.14700000 +0 -8.65000000 +0 9.62900000 +0 -0.3188 C( 354 TYR 24) -7.73600000 +0 -9.89100000 +0 10.10800000 +0 -0.1028 O( 355 TYR 24) -9.83600000 +0 -6.91000000 +0 9.66800000 +0 -0.5337 H( 356 TYR* 24) -8.14436873 +1 -12.62767979 +1 9.43375147 +1 0.2172 H( 357 TYR 24) -8.56521961 +1 -12.20237027 +1 12.48116969 +1 0.1798 H( 358 TYR 24) -6.97836450 +1 -11.88345811 +1 11.77837009 +1 0.1841 H( 359 TYR 24) -10.42482255 +1 -10.68682890 +1 12.06814143 +1 0.1722 H( 360 TYR 24) -6.78387274 +1 -10.31206556 +1 9.78172035 +1 0.1690 H( 361 TYR 24) -7.52907618 +1 -8.08535319 +1 8.93559652 +1 0.1832 H( 362 TYR 24) -9.25637216 +1 -6.52913367 +1 8.95008830 +1 0.3612 H( 363 TYR 24) -11.18658180 +1 -8.45194278 +1 11.22220677 +1 0.1968 H( 364 TYR* 24) -10.00582255 +1 -13.73550107 +1 11.53025010 +1 0.3551 N( 365 ILE* 25) -6.31700000 +0 -14.36400000 +0 9.82400000 +0 -0.5801 C( 366 ILE* 25) -5.27500000 +0 -15.40100000 +0 9.94800000 +0 -0.0095 C( 367 ILE* 25) -3.90600000 +0 -14.71500000 +0 9.77000000 +0 0.5827 O( 368 ILE* 25) -3.74000000 +0 -13.74700000 +0 9.02900000 +0 -0.6096 C( 369 ILE 25) -5.44100000 +0 -16.53100000 +0 8.88800000 +0 -0.0897 C( 370 ILE 25) -6.67200000 +0 -17.37599900 +0 9.22500000 +0 -0.4587 C( 371 ILE 25) -5.51600000 +0 -15.97100000 +0 7.45500000 +0 -0.2672 C( 372 ILE 25) -5.13400000 +0 -17.01400000 +0 6.40900000 +0 -0.4370 H( 373 ILE* 25) -5.33749575 +1 -15.87955976 +1 10.96373763 +1 0.1891 H( 374 ILE 25) -4.53137638 +1 -17.17945946 +1 8.96166579 +1 0.1361 H( 375 ILE 25) -7.57154404 +1 -16.74714827 +1 9.31129149 +1 0.1623 H( 376 ILE 25) -6.55551533 +1 -17.90065352 +1 10.17915804 +1 0.1426 H( 377 ILE 25) -6.85974962 +1 -18.12572528 +1 8.44969843 +1 0.1459 H( 378 ILE 25) -4.84313906 +1 -15.09232736 +1 7.35586324 +1 0.1575 H( 379 ILE 25) -6.53298254 +1 -15.57365230 +1 7.25681950 +1 0.1456 H( 380 ILE 25) -4.09899934 +1 -17.35181088 +1 6.54161651 +1 0.1447 H( 381 ILE 25) -5.77872948 +1 -17.89749756 +1 6.45843284 +1 0.1385 H( 382 ILE 25) -5.21940995 +1 -16.59769148 +1 5.39655276 +1 0.1500 H( 383 ILE* 25) -6.16109338 +1 -13.67330598 +1 9.08649968 +1 0.3612 N( 384 THR* 26) -2.82400000 +0 -15.27100000 +0 10.44100000 +0 -0.5572 C( 385 THR* 26) -1.52600000 +0 -14.56600000 +0 10.39000000 +0 -0.0430 C( 386 THR* 26) -0.81900000 +0 -14.92900000 +0 9.06500000 +0 0.6187 O( 387 THR* 26) -1.07700000 +0 -15.91800000 +0 8.39300000 +0 -0.5946 C( 388 THR 26) -0.59900000 +0 -14.87000000 +0 11.60300000 +0 0.1845 C( 389 THR 26) -1.29800000 +0 -14.81000000 +0 12.94300000 +0 -0.5128 O( 390 THR 26) 0.02000000 +0 -16.15200000 +0 11.42700000 +0 -0.6342 H( 391 THR* 26) -1.73573489 +1 -13.44710993 +1 10.37778841 +1 0.2212 H( 392 THR 26) 0.27687101 +1 -14.17512018 +1 11.56789170 +1 0.1299 H( 393 THR 26) -1.93881775 +1 -13.91776775 +1 13.03359293 +1 0.1979 H( 394 THR 26) -0.57624594 +1 -14.79499154 +1 13.76998702 +1 0.1657 H( 395 THR 26) -1.95553885 +1 -15.67634885 +1 13.11645484 +1 0.1792 H( 396 THR 26) -0.62751094 +1 -16.86762538 +1 11.62544860 +1 0.3602 H( 397 THR* 26) -2.94101365 +1 -15.96200837 +1 11.16696688 +1 0.3381 N( 398 LYS* 27) 0.12800000 +0 -13.98400000 +0 8.64200000 +0 -0.6386 C( 399 LYS* 27) 0.81200000 +0 -14.08800000 +0 7.32700000 +0 0.0242 C( 400 LYS* 27) 1.32200000 +0 -15.51700000 +0 7.02900000 +0 0.6089 O( 401 LYS* 27) 0.99800000 +0 -16.10500000 +0 5.99800000 +0 -0.6181 C( 402 LYS 27) 2.00900000 +0 -13.12600000 +0 7.24900000 +0 -0.3400 C( 403 LYS 27) 1.67800000 +0 -11.78400000 +0 6.59300000 +0 -0.2604 C( 404 LYS 27) 2.91100000 +0 -10.88400000 +0 6.44100000 +0 -0.3230 C( 405 LYS 27) 3.57600000 +0 -10.45300000 +0 7.76200000 +0 -0.1172 N( 406 LYS 27) 3.15000000 +0 -9.13200000 +0 8.30400000 +0 -0.6523 H( 407 LYS* 27) 0.04251123 +1 -13.84843379 +1 6.53392117 +1 0.1866 H( 408 LYS 27) 2.45896811 +1 -12.98149169 +1 8.25177729 +1 0.1617 H( 409 LYS 27) 2.83176980 +1 -13.60430060 +1 6.65391192 +1 0.2166 H( 410 LYS 27) 0.88046207 +1 -11.24875232 +1 7.14709462 +1 0.1282 H( 411 LYS 27) 1.24460091 +1 -11.96415787 +1 5.58393075 +1 0.1531 H( 412 LYS 27) 3.66373156 +1 -11.41701931 +1 5.82209890 +1 0.1574 H( 413 LYS 27) 2.63428902 +1 -9.98709413 +1 5.85010153 +1 0.1526 H( 414 LYS 27) 3.40827700 +1 -11.21208768 +1 8.55518460 +1 0.1389 H( 415 LYS 27) 4.67973666 +1 -10.40245273 +1 7.62237144 +1 0.1432 H( 416 LYS 27) 2.15925060 +1 -9.13982504 +1 8.51219175 +1 0.2562 H( 417 LYS 27) 3.28800593 +1 -8.40329453 +1 7.61888500 +1 0.2457 H( 418 LYS* 27) 0.66523379 +1 -13.48439444 +1 9.35191221 +1 0.3348 N( 419 SER* 28) 2.12100000 +0 -16.10100000 +0 7.99700000 +0 -0.6058 C( 420 SER* 28) 2.76800000 +0 -17.40700000 +0 7.75000000 +0 -0.0318 C( 421 SER* 28) 1.70900000 +0 -18.50700000 +0 7.55800000 +0 0.5922 O( 422 SER* 28) 1.91500000 +0 -19.45100000 +0 6.78500000 +0 -0.6651 C( 423 SER 28) 3.73300000 +0 -17.78500000 +0 8.90700000 +0 -0.0198 O( 424 SER 28) 4.87000000 +0 -18.42900100 +0 8.36700000 +0 -0.5577 H( 425 SER* 28) 3.36106568 +1 -17.34009450 +1 6.78696916 +1 0.2050 H( 426 SER 28) 4.15369481 +1 -16.88825323 +1 9.40154065 +1 0.1576 H( 427 SER 28) 3.25922434 +1 -18.43857470 +1 9.66218494 +1 0.1504 H( 428 SER 28) 4.61141473 +1 -19.28231387 +1 7.91949546 +1 0.3560 H( 429 SER* 28) 2.40087047 +1 -15.57509749 +1 8.82168305 +1 0.3533 N( 430 GLU* 29) 0.54600000 +0 -18.41900100 +0 8.29000000 +0 -0.5649 C( 431 GLU* 29) -0.58500000 +0 -19.35400000 +0 8.11200000 +0 0.0340 C( 432 GLU* 29) -1.15700000 +0 -19.26700000 +0 6.67300000 +0 0.5440 O( 433 GLU* 29) -1.38700000 +0 -20.29200000 +0 6.04300000 +0 -0.5836 C( 434 GLU 29) -1.69800000 +0 -19.03100000 +0 9.12300000 +0 -0.2854 C( 435 GLU 29) -1.29200000 +0 -19.42600100 +0 10.54500000 +0 -0.4073 C( 436 GLU 29) -2.29300000 +0 -18.89399900 +0 11.52600000 +0 0.6655 O( 437 GLU 29) -3.35800000 +0 -19.69000100 +0 11.85200000 +0 -0.5254 O( 438 GLU 29) -2.26600000 +0 -17.80100100 +0 12.05700000 +0 -0.5190 H( 439 GLU* 29) -0.20304323 +1 -20.40468227 +1 8.24811543 +1 0.1819 H( 440 GLU 29) -1.94279387 +1 -17.93937424 +1 9.07627467 +1 0.1954 H( 441 GLU 29) -2.63007984 +1 -19.55215050 +1 8.82019624 +1 0.1662 H( 442 GLU 29) -0.27507951 +1 -19.00859769 +1 10.78167729 +1 0.2283 H( 443 GLU 29) -1.16177165 +1 -20.52243150 +1 10.63395432 +1 0.1746 H( 444 GLU 29) -3.40698490 +1 -20.54148342 +1 11.36251981 +1 0.3467 H( 445 GLU* 29) 0.36050699 +1 -17.59815893 +1 8.86632222 +1 0.3497 N( 446 ALA* 30) -1.40900000 +0 -18.00700000 +0 6.16700000 +0 -0.5847 C( 447 ALA* 30) -1.79300000 +0 -17.82200100 +0 4.74700000 +0 0.0637 C( 448 ALA* 30) -0.79000000 +0 -18.50600100 +0 3.78400000 +0 0.5692 O( 449 ALA* 30) -1.19200000 +0 -19.16099900 +0 2.82500000 +0 -0.6091 C( 450 ALA 30) -1.89100000 +0 -16.33799900 +0 4.42600000 +0 -0.4769 H( 451 ALA* 30) -2.78484071 +1 -18.33780498 +1 4.58762069 +1 0.1814 H( 452 ALA 30) -0.96642045 +1 -15.79442536 +1 4.68377444 +1 0.1800 H( 453 ALA 30) -2.70931713 +1 -15.86030690 +1 4.98595217 +1 0.1743 H( 454 ALA 30) -2.08225928 +1 -16.16694716 +1 3.35565475 +1 0.1788 H( 455 ALA* 30) -1.11989463 +1 -17.17562449 +1 6.68717426 +1 0.3598 N( 456 GLN* 31) 0.56300000 +0 -18.35000000 +0 4.02700000 +0 -0.5987 C( 457 GLN* 31) 1.56800000 +0 -19.04600000 +0 3.19200000 +0 0.0249 C( 458 GLN* 31) 1.47300000 +0 -20.58700000 +0 3.32400000 +0 0.5754 O( 459 GLN* 31) 1.70400000 +0 -21.28700100 +0 2.33600000 +0 -0.6362 C( 460 GLN 31) 2.99000000 +0 -18.57799900 +0 3.53900000 +0 -0.2732 C( 461 GLN 31) 3.26400000 +0 -17.21299900 +0 2.90500000 +0 -0.3710 C( 462 GLN 31) 4.71200000 +0 -16.80999900 +0 3.03000000 +0 0.6283 N( 463 GLN 31) 5.62700000 +0 -17.45500000 +0 2.21500000 +0 -0.6660 O( 464 GLN 31) 5.10300000 +0 -15.92500000 +0 3.79100000 +0 -0.6117 H( 465 GLN* 31) 1.34491834 +1 -18.81512777 +1 2.10203496 +1 0.2024 H( 466 GLN 31) 3.12909789 +1 -18.53495069 +1 4.64092184 +1 0.1680 H( 467 GLN 31) 3.71998963 +1 -19.33253423 +1 3.17583217 +1 0.1681 H( 468 GLN 31) 2.63296988 +1 -16.43261058 +1 3.39498181 +1 0.1923 H( 469 GLN 31) 2.94925609 +1 -17.20108289 +1 1.83471971 +1 0.2083 H( 470 GLN 31) 6.59934251 +1 -17.23681671 +1 2.26770290 +1 0.3109 H( 471 GLN 31) 5.34217078 +1 -18.18047318 +1 1.58945450 +1 0.3177 H( 472 GLN* 31) 0.90328424 +1 -17.75750362 +1 4.78155469 +1 0.3561 N( 473 ALA* 32) 1.12400000 +0 -21.13600000 +0 4.53300000 +0 -0.5695 C( 474 ALA* 32) 0.84000000 +0 -22.58799900 +0 4.68300000 +0 0.0546 C( 475 ALA* 32) -0.32500000 +0 -23.07399900 +0 3.78000000 +0 0.5458 O( 476 ALA* 32) -0.34800000 +0 -24.21900000 +0 3.36100000 +0 -0.5304 C( 477 ALA 32) 0.49200000 +0 -22.89900000 +0 6.13400000 +0 -0.4752 H( 478 ALA* 32) 1.75660312 +1 -23.15556607 +1 4.35080597 +1 0.1851 H( 479 ALA 32) -0.39349644 +1 -22.33747785 +1 6.47137447 +1 0.1757 H( 480 ALA 32) 1.32185485 +1 -22.65735177 +1 6.80904408 +1 0.1589 H( 481 ALA 32) 0.26643621 +1 -23.96860712 +1 6.25771240 +1 0.1741 H( 482 ALA* 32) 0.94720495 +1 -20.55086101 +1 5.34817885 +1 0.3511 N( 483 LEU* 33) -1.31300000 +0 -22.15399900 +0 3.45400000 +0 -0.6159 C( 484 LEU* 33) -2.40100000 +0 -22.49000000 +0 2.51200000 +0 0.0517 C( 485 LEU* 33) -1.97100000 +0 -22.34100000 +0 1.03000000 +0 0.5848 O( 486 LEU* 33) -2.83000000 +0 -22.45500000 +0 0.15000000 +0 -0.6378 C( 487 LEU 33) -3.60700000 +0 -21.56399900 +0 2.75100000 +0 -0.3160 C( 488 LEU 33) -4.56700000 +0 -22.07600000 +0 3.84600000 +0 -0.0520 C( 489 LEU 33) -5.80900000 +0 -21.17600100 +0 3.89600000 +0 -0.4621 C( 490 LEU 33) -3.89500000 +0 -22.13999900 +0 5.22100000 +0 -0.4639 H( 491 LEU* 33) -2.68656445 +1 -23.57270489 +1 2.64738577 +1 0.1851 H( 492 LEU 33) -3.26076106 +1 -20.53742781 +1 2.99125486 +1 0.1662 H( 493 LEU 33) -4.18642746 +1 -21.46364445 +1 1.80185924 +1 0.1768 H( 494 LEU 33) -4.89494266 +1 -23.10892812 +1 3.56671284 +1 0.1317 H( 495 LEU 33) -5.54746827 +1 -20.13722849 +1 4.11544045 +1 0.1385 H( 496 LEU 33) -6.51292474 +1 -21.51305637 +1 4.66223158 +1 0.1380 H( 497 LEU 33) -6.35121910 +1 -21.18940534 +1 2.93901171 +1 0.1758 H( 498 LEU 33) -3.46826452 +1 -21.17060787 +1 5.50622876 +1 0.1570 H( 499 LEU 33) -4.60794226 +1 -22.42871107 +1 5.99804171 +1 0.1334 H( 500 LEU 33) -3.07890061 +1 -22.86977403 +1 5.23864593 +1 0.1470 H( 501 LEU* 33) -1.40435757 +1 -21.27982729 +1 3.96834722 +1 0.3503 N( 502 GLY* 34) -0.65200000 +0 -22.08900100 +0 0.70700000 +0 -0.5651 C( 503 GLY* 34) -0.22900000 +0 -21.81600000 +0 -0.67200000 +0 -0.1468 C( 504 GLY* 34) -0.35400000 +0 -20.35400000 +0 -1.09400000 +0 0.6087 O( 505 GLY* 34) -0.31600000 +0 -20.04800000 +0 -2.28700000 +0 -0.6455 H( 506 GLY* 34) 0.85784163 +1 -22.09727181 +1 -0.78670820 +1 0.2128 H( 507 GLY* 34) -0.78248448 +1 -22.45550421 +1 -1.40295990 +1 0.2012 H( 508 GLY* 34) 0.07340293 +1 -22.06908092 +1 1.42302282 +1 0.3555 N( 509 TRP* 35) -0.44400000 +0 -19.37299900 +0 -0.11600000 +0 -0.5888 C( 510 TRP* 35) -0.39500000 +0 -17.94300100 +0 -0.47700000 +0 0.0341 C( 511 TRP* 35) 1.08300000 +0 -17.58300000 +0 -0.76300000 +0 0.6013 O( 512 TRP* 35) 2.00100000 +0 -17.77000000 +0 0.03400000 +0 -0.6275 C( 513 TRP 35) -0.88900000 +0 -17.05400100 +0 0.68100000 +0 -0.2662 C( 514 TRP 35) -0.68600000 +0 -15.61200000 +0 0.40200000 +0 -0.1501 C( 515 TRP 35) -0.02800000 +0 -14.66900000 +0 1.27600000 +0 -0.0780 C( 516 TRP 35) 0.60300000 +0 -14.76100000 +0 2.53200000 +0 -0.1195 C( 517 TRP 35) 1.15000000 +0 -13.62100000 +0 3.09300000 +0 -0.1985 C( 518 TRP 35) 1.09700000 +0 -12.36700000 +0 2.42600000 +0 -0.1339 C( 519 TRP 35) 0.49500000 +0 -12.23300000 +0 1.18900000 +0 -0.2144 C( 520 TRP 35) -0.07400000 +0 -13.39200000 +0 0.61800000 +0 0.0849 N( 521 TRP 35) -0.71000000 +0 -13.57000000 +0 -0.62000000 +0 -0.3843 C( 522 TRP 35) -1.09100000 +0 -14.91900000 +0 -0.73200000 +0 -0.0185 H( 523 TRP* 35) -1.02878056 +1 -17.77348265 +1 -1.39270471 +1 0.1862 H( 524 TRP 35) -0.35201117 +1 -17.33115477 +1 1.61587011 +1 0.1757 H( 525 TRP 35) -1.96602026 +1 -17.26513935 +1 0.87856617 +1 0.1818 H( 526 TRP 35) 0.64851534 +1 -15.71928856 +1 3.04666055 +1 0.1631 H( 527 TRP 35) 1.64517983 +1 -13.67951341 +1 4.06142673 +1 0.1615 H( 528 TRP 35) 1.54899978 +1 -11.50331068 +1 2.90727907 +1 0.1433 H( 529 TRP 35) -1.60035552 +1 -15.27661180 +1 -1.61242469 +1 0.1946 H( 530 TRP 35) -1.01143782 +1 -12.83318840 +1 -1.22340178 +1 0.3405 H( 531 TRP 35) 0.44855298 +1 -11.28511755 +1 0.66314484 +1 0.1720 H( 532 TRP* 35) -0.52707580 +1 -19.59021510 +1 0.87357144 +1 0.3565 N( 533 VAL* 36) 1.29300000 +0 -16.98300000 +0 -1.99300000 +0 -0.5912 C( 534 VAL* 36) 2.63700000 +0 -16.54900000 +0 -2.41100000 +0 0.0080 C( 535 VAL* 36) 2.48500000 +0 -15.03400000 +0 -2.65200000 +0 0.5902 O( 536 VAL* 36) 2.00100000 +0 -14.56000000 +0 -3.68100000 +0 -0.6446 C( 537 VAL 36) 3.12400000 +0 -17.25200100 +0 -3.71000000 +0 -0.0849 C( 538 VAL 36) 3.05800000 +0 -18.76899900 +0 -3.55500000 +0 -0.4543 C( 539 VAL 36) 4.54600000 +0 -16.78700100 +0 -4.03500000 +0 -0.4597 H( 540 VAL* 36) 3.36964634 +1 -16.76483085 +1 -1.58533157 +1 0.1845 H( 541 VAL 36) 2.44307774 +1 -16.94839469 +1 -4.54965567 +1 0.1569 H( 542 VAL 36) 3.64088556 +1 -19.12643652 +1 -2.69618904 +1 0.1608 H( 543 VAL 36) 2.02597957 +1 -19.11962596 +1 -3.39600237 +1 0.1719 H( 544 VAL 36) 3.43968620 +1 -19.28055654 +1 -4.44417275 +1 0.1480 H( 545 VAL 36) 4.60523858 +1 -15.70294276 +1 -4.17380255 +1 0.1353 H( 546 VAL 36) 5.25635332 +1 -17.06483044 +1 -3.24752257 +1 0.1525 H( 547 VAL 36) 4.90459950 +1 -17.25166962 +1 -4.96228917 +1 0.1570 H( 548 VAL* 36) 0.53461765 +1 -16.87086803 +1 -2.66972923 +1 0.3628 N( 549 ALA* 37) 2.97600000 +0 -14.19900000 +0 -1.65900000 +0 -0.6005 C( 550 ALA* 37) 2.69700000 +0 -12.73600000 +0 -1.64600000 +0 0.0382 C( 551 ALA* 37) 2.79000000 +0 -12.11900000 +0 -3.05800000 +0 0.6096 O( 552 ALA* 37) 1.88900000 +0 -11.38100000 +0 -3.48600000 +0 -0.6261 C( 553 ALA 37) 3.66700000 +0 -12.04500000 +0 -0.70100000 +0 -0.4818 H( 554 ALA* 37) 1.63208411 +1 -12.57498551 +1 -1.29117046 +1 0.1928 H( 555 ALA 37) 3.73302684 +1 -10.96234771 +1 -0.90109330 +1 0.1996 H( 556 ALA 37) 3.33997207 +1 -12.13103356 +1 0.34683623 +1 0.1761 H( 557 ALA 37) 4.68729682 +1 -12.43899592 +1 -0.77379148 +1 0.1595 H( 558 ALA* 37) 3.24278988 +1 -14.58696420 +1 -0.75971360 +1 0.3308 N( 559 SER* 38) 3.90800000 +0 -12.37100000 +0 -3.81900000 +0 -0.5568 C( 560 SER* 38) 4.11900000 +0 -11.73800000 +0 -5.13300000 +0 -0.0600 C( 561 SER* 38) 3.09400000 +0 -12.13900000 +0 -6.21100000 +0 0.5735 O( 562 SER* 38) 2.77100000 +0 -11.32000000 +0 -7.06800000 +0 -0.5993 C( 563 SER 38) 5.55100000 +0 -12.05300000 +0 -5.62000000 +0 -0.0178 O( 564 SER 38) 5.82400000 +0 -13.44900000 +0 -5.47800000 +0 -0.5437 H( 565 SER* 38) 4.00277627 +1 -10.61090471 +1 -4.99116302 +1 0.2377 H( 566 SER 38) 6.31466237 +1 -11.58106588 +1 -4.97235201 +1 0.1648 H( 567 SER 38) 5.70662751 +1 -11.74024583 +1 -6.66635502 +1 0.1458 H( 568 SER 38) 5.24353133 +1 -13.96157264 +1 -6.08168176 +1 0.3213 H( 569 SER* 38) 4.59496333 +1 -13.06228886 +1 -3.54117255 +1 0.3370 N( 570 LYS* 39) 2.63200000 +0 -13.44900000 +0 -6.26200000 +0 -0.5872 C( 571 LYS* 39) 1.52500000 +0 -13.79400000 +0 -7.19000000 +0 0.0186 C( 572 LYS* 39) 0.16000000 +0 -13.24600000 +0 -6.72600000 +0 0.5825 O( 573 LYS* 39) -0.72600000 +0 -12.99100000 +0 -7.53400000 +0 -0.5922 C( 574 LYS 39) 1.44400000 +0 -15.30600000 +0 -7.43600000 +0 -0.2977 C( 575 LYS 39) 0.83700000 +0 -16.12299900 +0 -6.29200000 +0 -0.2719 C( 576 LYS 39) 0.74900000 +0 -17.61800000 +0 -6.63100000 +0 -0.2723 C( 577 LYS 39) -0.24800000 +0 -17.94199900 +0 -7.75700000 +0 -0.1005 N( 578 LYS 39) 0.40000000 +0 -17.81300000 +0 -9.09800000 +0 -0.6545 H( 579 LYS* 39) 1.74229953 +1 -13.27490197 +1 -8.17445180 +1 0.1942 H( 580 LYS 39) 0.84305891 +1 -15.48676071 +1 -8.36239206 +1 0.2000 H( 581 LYS 39) 2.45173404 +1 -15.69519632 +1 -7.68366901 +1 0.1595 H( 582 LYS 39) 1.42965320 +1 -15.98487928 +1 -5.36204984 +1 0.1532 H( 583 LYS 39) -0.17423182 +1 -15.74365978 +1 -6.04425252 +1 0.1425 H( 584 LYS 39) 0.44631949 +1 -18.17146249 +1 -5.71658850 +1 0.1497 H( 585 LYS 39) 1.75377745 +1 -18.00092876 +1 -6.89332897 +1 0.1438 H( 586 LYS 39) -0.67134204 +1 -18.95706336 +1 -7.59789869 +1 0.1135 H( 587 LYS 39) -1.09871476 +1 -17.22696813 +1 -7.73320416 +1 0.1388 H( 588 LYS 39) 1.19824301 +1 -18.41857809 +1 -9.18231561 +1 0.2447 H( 589 LYS 39) -0.24691221 +1 -18.02434029 +1 -9.83815587 +1 0.2449 H( 590 LYS* 39) 2.73995850 +1 -14.07493790 +1 -5.46396510 +1 0.3432 N( 591 GLY* 40) -0.04900000 +0 -13.04800000 +0 -5.36200000 +0 -0.5923 C( 592 GLY* 40) -1.17000000 +0 -12.21400000 +0 -4.91800000 +0 -0.1507 C( 593 GLY* 40) -2.43900000 +0 -12.97600000 +0 -4.55400000 +0 0.5728 O( 594 GLY* 40) -3.50900000 +0 -12.35100000 +0 -4.49100000 +0 -0.6141 H( 595 GLY* 40) -0.85434673 +1 -11.58041328 +1 -4.05726777 +1 0.1780 H( 596 GLY* 40) -1.44934457 +1 -11.48270560 +1 -5.73241878 +1 0.2065 H( 597 GLY* 40) 0.65252091 +1 -13.28652116 +1 -4.66853849 +1 0.3498 N( 598 ASN* 41) -2.38700000 +0 -14.31100000 +0 -4.24700000 +0 -0.5616 C( 599 ASN* 41) -3.61700000 +0 -15.11500000 +0 -4.08700000 +0 0.0465 C( 600 ASN* 41) -4.13100000 +0 -15.15900000 +0 -2.62500000 +0 0.5845 O( 601 ASN* 41) -4.66800000 +0 -16.19100000 +0 -2.21100000 +0 -0.6534 C( 602 ASN 41) -3.37000000 +0 -16.55400100 +0 -4.57800000 +0 -0.3662 C( 603 ASN 41) -2.15400000 +0 -17.21800000 +0 -3.95800000 +0 0.6303 N( 604 ASN 41) -2.00100000 +0 -18.56500100 +0 -4.10800000 +0 -0.6235 O( 605 ASN 41) -1.26400000 +0 -16.55999900 +0 -3.38900000 +0 -0.6868 H( 606 ASN* 41) -4.44537846 +1 -14.64282866 +1 -4.70272140 +1 0.2012 H( 607 ASN 41) -4.27907696 +1 -17.16530087 +1 -4.37852687 +1 0.1827 H( 608 ASN 41) -3.24213033 +1 -16.54251363 +1 -5.68477759 +1 0.1854 H( 609 ASN 41) -1.25049097 +1 -19.02315075 +1 -3.59371006 +1 0.3449 H( 610 ASN 41) -2.71049142 +1 -19.20132841 +1 -4.43539535 +1 0.3399 H( 611 ASN* 41) -1.50792824 +1 -14.81986208 +1 -4.12099927 +1 0.3657 N( 612 LEU* 42) -4.02400000 +0 -14.03000000 +0 -1.84700000 +0 -0.5670 C( 613 LEU* 42) -4.36300000 +0 -14.05000000 +0 -0.39700000 +0 0.0250 C( 614 LEU* 42) -5.80400000 +0 -14.54600000 +0 -0.15200000 +0 0.5841 O( 615 LEU* 42) -6.00900000 +0 -15.47500000 +0 0.62800000 +0 -0.6179 C( 616 LEU 42) -4.17600000 +0 -12.65900000 +0 0.22000000 +0 -0.3332 C( 617 LEU 42) -4.37800000 +0 -12.66400000 +0 1.75600000 +0 -0.0483 C( 618 LEU 42) -4.21800000 +0 -11.23800000 +0 2.29600000 +0 -0.4591 C( 619 LEU 42) -3.40500000 +0 -13.62500000 +0 2.44300000 +0 -0.4753 H( 620 LEU* 42) -3.67070466 +1 -14.79701916 +1 0.09322902 +1 0.1898 H( 621 LEU 42) -3.16134618 +1 -12.28036712 +1 -0.01516858 +1 0.1577 H( 622 LEU 42) -4.88225017 +1 -11.93388816 +1 -0.23421615 +1 0.1733 H( 623 LEU 42) -5.42611459 +1 -13.00614255 +1 1.96909601 +1 0.1568 H( 624 LEU 42) -3.19578550 +1 -10.87009829 +1 2.18116326 +1 0.1327 H( 625 LEU 42) -4.47731006 +1 -11.18881592 +1 3.36295510 +1 0.1616 H( 626 LEU 42) -4.89283822 +1 -10.53903261 +1 1.78536750 +1 0.1527 H( 627 LEU 42) -2.36598628 +1 -13.43274220 +1 2.15244982 +1 0.1493 H( 628 LEU 42) -3.47397406 +1 -13.52719253 +1 3.53423860 +1 0.1529 H( 629 LEU 42) -3.63713956 +1 -14.66889664 +1 2.19959137 +1 0.1500 H( 630 LEU* 42) -3.88912725 +1 -13.11597651 +1 -2.26973133 +1 0.3507 N( 631 ALA* 43) -6.82600000 +0 -13.93500000 +0 -0.84600000 +0 -0.5767 C( 632 ALA* 43) -8.22900000 +0 -14.35400000 +0 -0.64300000 +0 0.0460 C( 633 ALA* 43) -8.69300000 +0 -15.39700000 +0 -1.68700000 +0 0.5529 O( 634 ALA* 43) -9.86800000 +0 -15.67600000 +0 -1.84400000 +0 -0.5255 C( 635 ALA 43) -9.14900000 +0 -13.14500000 +0 -0.67600000 +0 -0.4363 H( 636 ALA* 43) -8.31026544 +1 -14.86935670 +1 0.36540279 +1 0.2034 H( 637 ALA 43) -9.08132809 +1 -12.60093284 +1 -1.62692877 +1 0.1425 H( 638 ALA 43) -8.89332966 +1 -12.43608580 +1 0.13196286 +1 0.1880 H( 639 ALA 43) -10.20179328 +1 -13.43224836 +1 -0.53968220 +1 0.1740 H( 640 ALA* 43) -6.66124902 +1 -13.11125708 +1 -1.41767920 +1 0.3549 N( 641 ASP* 44) -7.69300000 +0 -16.01499900 +0 -2.45600000 +0 -0.6410 C( 642 ASP* 44) -7.95200000 +0 -17.25400000 +0 -3.20800000 +0 0.0347 C( 643 ASP* 44) -7.79000000 +0 -18.49399900 +0 -2.28200000 +0 0.5329 O( 644 ASP* 44) -8.69500000 +0 -19.29600000 +0 -2.14800000 +0 -0.5056 C( 645 ASP 44) -6.98100000 +0 -17.36100000 +0 -4.40000000 +0 -0.3713 C( 646 ASP 44) -7.17700000 +0 -16.23100100 +0 -5.36400000 +0 0.6931 O( 647 ASP 44) -8.19900000 +0 -16.49700000 +0 -6.22500000 +0 -0.5332 O( 648 ASP 44) -6.54200000 +0 -15.19900000 +0 -5.47400000 +0 -0.5919 H( 649 ASP* 44) -9.02499975 +1 -17.24454431 +1 -3.56413249 +1 0.2062 H( 650 ASP 44) -5.92399556 +1 -17.36001818 +1 -4.03601048 +1 0.1936 H( 651 ASP 44) -7.14129790 +1 -18.34016989 +1 -4.91162421 +1 0.2039 H( 652 ASP 44) -8.37989528 +1 -15.76173826 +1 -6.86385829 +1 0.3561 H( 653 ASP* 44) -6.71826187 +1 -15.85075404 +1 -2.20318967 +1 0.3349 N( 654 VAL* 45) -6.55000000 +0 -18.64800100 +0 -1.66900000 +0 -0.6053 C( 655 VAL* 45) -6.36500000 +0 -19.66400000 +0 -0.60900000 +0 0.0019 C( 656 VAL* 45) -7.14900000 +0 -19.33900100 +0 0.68100000 +0 0.5581 O( 657 VAL* 45) -7.61800000 +0 -20.22400100 +0 1.38200000 +0 -0.5553 C( 658 VAL 45) -4.85700000 +0 -19.85600100 +0 -0.28200000 +0 -0.0850 C( 659 VAL 45) -4.23100000 +0 -18.59900100 +0 0.32200000 +0 -0.4711 C( 660 VAL 45) -4.10700000 +0 -20.30200000 +0 -1.53800000 +0 -0.4426 H( 661 VAL* 45) -6.78784699 +1 -20.63964446 +1 -0.99217730 +1 0.1889 H( 662 VAL 45) -4.79360234 +1 -20.68994631 +1 0.47433411 +1 0.1640 H( 663 VAL 45) -4.73364642 +1 -18.28668095 +1 1.24441272 +1 0.1564 H( 664 VAL 45) -3.17821945 +1 -18.78796551 +1 0.57881979 +1 0.1623 H( 665 VAL 45) -4.24955278 +1 -17.74486162 +1 -0.36768857 +1 0.1616 H( 666 VAL 45) -4.11875452 +1 -19.54200337 +1 -2.32395825 +1 0.1373 H( 667 VAL 45) -3.05298667 +1 -20.51229684 +1 -1.30526202 +1 0.1623 H( 668 VAL 45) -4.53135408 +1 -21.22369383 +1 -1.95425405 +1 0.1513 H( 669 VAL* 45) -5.79979297 +1 -17.97235700 +1 -1.77381274 +1 0.3423 N( 670 ALA* 46) -7.36700000 +0 -17.99500100 +0 0.98500000 +0 -0.6144 C( 671 ALA* 46) -8.04800000 +0 -17.62500000 +0 2.24600000 +0 0.0589 C( 672 ALA* 46) -9.27300000 +0 -16.75799900 +0 1.89000000 +0 0.5628 O( 673 ALA* 46) -9.36300000 +0 -15.56800000 +0 2.24700000 +0 -0.6951 C( 674 ALA 46) -7.09700000 +0 -16.85199900 +0 3.15200000 +0 -0.4692 H( 675 ALA* 46) -8.40917007 +1 -18.55937091 +1 2.76562591 +1 0.1843 H( 676 ALA 46) -7.62774322 +1 -16.38208349 +1 3.99615531 +1 0.1663 H( 677 ALA 46) -6.30865223 +1 -17.50100194 +1 3.54729332 +1 0.1547 H( 678 ALA 46) -6.60563127 +1 -16.01650232 +1 2.62271351 +1 0.1965 H( 679 ALA* 46) -6.85049100 +1 -17.24482975 +1 0.53559247 +1 0.3493 N( 680 PRO* 47) -10.30300000 +0 -17.30200000 +0 1.17200000 +0 -0.4571 C( 681 PRO* 47) -11.51400000 +0 -16.50000000 +0 0.81600000 +0 0.0304 C( 682 PRO* 47) -12.23700000 +0 -16.05800100 +0 2.10600000 +0 0.5451 O( 683 PRO* 47) -12.87600000 +0 -16.81200000 +0 2.81800000 +0 -0.5232 C( 684 PRO 47) -12.40300000 +0 -17.45400000 +0 -0.00900000 +0 -0.2717 C( 685 PRO 47) -11.89300000 +0 -18.87400100 +0 0.29100000 +0 -0.2775 C( 686 PRO 47) -10.41700000 +0 -18.71299900 +0 0.68500000 +0 -0.0489 H( 687 PRO* 47) -11.19101783 +1 -15.61563854 +1 0.20618648 +1 0.1790 H( 688 PRO 47) -13.46936111 +1 -17.34569817 +1 0.24760848 +1 0.1551 H( 689 PRO 47) -12.30256075 +1 -17.22184405 +1 -1.08665020 +1 0.1608 H( 690 PRO 47) -12.47307139 +1 -19.32607782 +1 1.11692247 +1 0.1555 H( 691 PRO 47) -12.00319799 +1 -19.53878396 +1 -0.58135310 +1 0.1538 H( 692 PRO 47) -10.10133264 +1 -19.42157079 +1 1.47677188 +1 0.1563 H( 693 PRO 47) -9.74212942 +1 -18.84902165 +1 -0.19066883 +1 0.1720 N( 694 GLY* 48) -12.19800000 +0 -14.67800000 +0 2.36400000 +0 -0.5856 C( 695 GLY* 48) -12.76600000 +0 -14.16600000 +0 3.62000000 +0 -0.1459 C( 696 GLY* 48) -11.78500000 +0 -13.94200000 +0 4.77200000 +0 0.5951 O( 697 GLY* 48) -12.11400000 +0 -13.21600000 +0 5.71800000 +0 -0.6398 H( 698 GLY* 48) -13.57134948 +1 -14.85395717 +1 3.98723899 +1 0.1934 H( 699 GLY* 48) -13.25718562 +1 -13.18430049 +1 3.39734260 +1 0.1836 H( 700 GLY* 48) -11.42975586 +1 -14.11050653 +1 2.00032103 +1 0.3457 N( 701 LYS* 49) -10.54700000 +0 -14.54700000 +0 4.73900000 +0 -0.5833 C( 702 LYS* 49) -9.61900000 +0 -14.47300000 +0 5.88900000 +0 0.0277 C( 703 LYS* 49) -8.55800000 +0 -13.40200000 +0 5.52700000 +0 0.5803 O( 704 LYS* 49) -7.73700000 +0 -13.56700000 +0 4.62600000 +0 -0.6176 C( 705 LYS 49) -8.90400000 +0 -15.80800000 +0 6.13400000 +0 -0.3092 C( 706 LYS 49) -9.81800000 +0 -16.92000000 +0 6.65600000 +0 -0.2620 C( 707 LYS 49) -10.14300000 +0 -16.77500000 +0 8.14500000 +0 -0.3119 C( 708 LYS 49) -10.86100000 +0 -18.00400000 +0 8.72800000 +0 -0.1198 N( 709 LYS 49) -9.97100000 +0 -19.10899900 +0 9.17700000 +0 -0.6538 H( 710 LYS* 49) -10.20589110 +1 -14.17929460 +1 6.80496975 +1 0.2044 H( 711 LYS 49) -8.06681452 +1 -15.64083866 +1 6.85070059 +1 0.1622 H( 712 LYS 49) -8.41493440 +1 -16.14104590 +1 5.18735770 +1 0.1644 H( 713 LYS 49) -9.33369775 +1 -17.89935569 +1 6.47401900 +1 0.1354 H( 714 LYS 49) -10.75792781 +1 -16.94252988 +1 6.06658484 +1 0.1555 H( 715 LYS 49) -9.22649141 +1 -16.56111377 +1 8.72943537 +1 0.1461 H( 716 LYS 49) -10.78431346 +1 -15.88113110 +1 8.29181420 +1 0.1461 H( 717 LYS 49) -11.47073929 +1 -17.69942910 +1 9.60915031 +1 0.1656 H( 718 LYS 49) -11.58537398 +1 -18.41619933 +1 7.99298872 +1 0.1404 H( 719 LYS 49) -9.62730253 +1 -19.64723927 +1 8.39895580 +1 0.2438 H( 720 LYS 49) -9.17729377 +1 -18.74085974 +1 9.68123890 +1 0.2456 H( 721 LYS* 49) -10.21470539 +1 -15.03400746 +1 3.90748587 +1 0.3536 N( 722 SER* 50) -8.63100000 +0 -12.22200000 +0 6.24100000 +0 -0.5624 C( 723 SER* 50) -7.63300000 +0 -11.14600000 +0 6.08100000 +0 -0.0267 C( 724 SER* 50) -6.52100000 +0 -11.36800000 +0 7.12200000 +0 0.5771 O( 725 SER* 50) -6.65600000 +0 -12.13500000 +0 8.07100000 +0 -0.6147 C( 726 SER 50) -8.31800000 +0 -9.77900000 +0 6.28300000 +0 -0.0041 O( 727 SER 50) -8.74700000 +0 -9.29900000 +0 5.00400000 +0 -0.6484 H( 728 SER* 50) -7.19228760 +1 -11.20346999 +1 5.04233612 +1 0.2076 H( 729 SER 50) -9.19283694 +1 -9.83867747 +1 6.96194820 +1 0.1611 H( 730 SER 50) -7.62010471 +1 -8.99834151 +1 6.63886718 +1 0.1539 H( 731 SER 50) -9.54934583 +1 -9.82673891 +1 4.67802393 +1 0.3912 H( 732 SER* 50) -9.16964417 +1 -12.18895893 +1 7.10967407 +1 0.3556 N( 733 ILE* 51) -5.35600000 +0 -10.64200000 +0 6.95200000 +0 -0.5839 C( 734 ILE* 51) -4.16100000 +0 -11.00700000 +0 7.74200000 +0 -0.0047 C( 735 ILE* 51) -4.20000000 +0 -10.27300000 +0 9.09900000 +0 0.5984 O( 736 ILE* 51) -4.12100000 +0 -9.04500000 +0 9.21500000 +0 -0.6515 C( 737 ILE 51) -2.85000000 +0 -10.64200000 +0 6.99700000 +0 -0.1105 C( 738 ILE 51) -1.67300000 +0 -10.89200000 +0 7.94000000 +0 -0.4704 C( 739 ILE 51) -2.70400000 +0 -11.44300000 +0 5.68900000 +0 -0.2612 C( 740 ILE 51) -2.49100000 +0 -12.93900000 +0 5.89900000 +0 -0.4422 H( 741 ILE* 51) -4.18178316 +1 -12.12553665 +1 7.91201760 +1 0.2091 H( 742 ILE 51) -2.87780852 +1 -9.54875947 +1 6.74058033 +1 0.1749 H( 743 ILE 51) -1.71360587 +1 -10.21827819 +1 8.80858078 +1 0.1636 H( 744 ILE 51) -1.66858960 +1 -11.92687949 +1 8.31142796 +1 0.1663 H( 745 ILE 51) -0.73482688 +1 -10.68904948 +1 7.40719303 +1 0.1382 H( 746 ILE 51) -1.85887323 +1 -11.02456280 +1 5.10766775 +1 0.1355 H( 747 ILE 51) -3.59861605 +1 -11.27926972 +1 5.05186785 +1 0.1481 H( 748 ILE 51) -1.52549200 +1 -13.14894914 +1 6.37383476 +1 0.1402 H( 749 ILE 51) -3.26246559 +1 -13.37624878 +1 6.54893220 +1 0.1603 H( 750 ILE 51) -2.51431117 +1 -13.48286919 +1 4.94670443 +1 0.1432 H( 751 ILE* 51) -5.20246854 +1 -10.07864625 +1 6.11644482 +1 0.3502 N( 752 GLY* 52) -4.38500000 +0 -11.06200000 +0 10.21700000 +0 -0.5328 C( 753 GLY* 52) -4.19200000 +0 -10.50700000 +0 11.56900000 +0 -0.1564 C( 754 GLY* 52) -3.08900000 +0 -11.26600000 +0 12.29300000 +0 0.6107 O( 755 GLY* 52) -2.68600000 +0 -12.36600000 +0 11.91500000 +0 -0.6153 H( 756 GLY* 52) -3.99113100 +1 -9.40809189 +1 11.52991978 +1 0.1986 H( 757 GLY* 52) -5.14821775 +1 -10.64783365 +1 12.14872526 +1 0.2009 H( 758 GLY* 52) -4.36969797 +1 -12.07994137 +1 10.16167978 +1 0.3495 N( 759 GLY* 53) -2.61900000 +0 -10.70400000 +0 13.47000000 +0 -0.5772 C( 760 GLY* 53) -1.71200000 +0 -11.46400000 +0 14.33800000 +0 -0.1521 C( 761 GLY* 53) -0.22800000 +0 -11.21900000 +0 14.12600000 +0 0.6030 O( 762 GLY* 53) 0.59800000 +0 -11.70500000 +0 14.90700000 +0 -0.6627 H( 763 GLY* 53) -1.96381221 +1 -11.20635700 +1 15.40953366 +1 0.2343 H( 764 GLY* 53) -1.90995649 +1 -12.56246641 +1 14.24544854 +1 0.1965 H( 765 GLY* 53) -2.64619753 +1 -9.70070368 +1 13.61541256 +1 0.3413 N( 766 ASP* 54) 0.18200000 +0 -10.49400000 +0 13.02300000 +0 -0.5816 C( 767 ASP* 54) 1.60900000 +0 -10.21400000 +0 12.77900000 +0 0.0339 C( 768 ASP* 54) 2.04800000 +0 -9.01500000 +0 13.66300000 +0 0.5668 O( 769 ASP* 54) 1.42900000 +0 -7.95400000 +0 13.69900000 +0 -0.6173 C( 770 ASP 54) 1.81700000 +0 -9.84700000 +0 11.30800000 +0 -0.3803 C( 771 ASP 54) 1.46500000 +0 -10.97900000 +0 10.39900000 +0 0.7231 O( 772 ASP 54) 0.77200000 +0 -10.50700000 +0 9.32800000 +0 -0.5723 O( 773 ASP 54) 1.72100000 +0 -12.17100000 +0 10.46900000 +0 -0.6109 H( 774 ASP* 54) 2.20797741 +1 -11.14091520 +1 13.00668054 +1 0.2037 H( 775 ASP 54) 2.87748026 +1 -9.54879820 +1 11.11922574 +1 0.2061 H( 776 ASP 54) 1.21275842 +1 -8.93587320 +1 11.04789189 +1 0.2197 H( 777 ASP 54) 0.53033705 +1 -11.23201971 +1 8.66602346 +1 0.3768 H( 778 ASP* 54) -0.47746441 +1 -10.02053553 +1 12.39616264 +1 0.3711 N( 779 ILE* 55) 3.20800000 +0 -9.21400000 +0 14.37500000 +0 -0.5581 C( 780 ILE* 55) 3.69000000 +0 -8.20600000 +0 15.34700000 +0 0.0002 C( 781 ILE* 55) 4.45500000 +0 -7.11700000 +0 14.56600000 +0 0.6118 O( 782 ILE* 55) 5.10200000 +0 -7.31800000 +0 13.53600000 +0 -0.6433 C( 783 ILE 55) 4.57000000 +0 -8.89300000 +0 16.43499900 +0 -0.0930 C( 784 ILE 55) 5.57100000 +0 -7.91000000 +0 17.04600000 +0 -0.4632 C( 785 ILE 55) 3.67600000 +0 -9.47200000 +0 17.55400100 +0 -0.2675 C( 786 ILE 55) 2.93100000 +0 -10.73600000 +0 17.15099900 +0 -0.4562 H( 787 ILE* 55) 2.79180360 +1 -7.72897843 +1 15.84611516 +1 0.2054 H( 788 ILE 55) 5.14316928 +1 -9.72557355 +1 15.95686560 +1 0.1453 H( 789 ILE 55) 5.06167442 +1 -7.04729141 +1 17.50288059 +1 0.1734 H( 790 ILE 55) 6.16518926 +1 -8.38794016 +1 17.83424788 +1 0.1552 H( 791 ILE 55) 6.28345028 +1 -7.52890718 +1 16.30650391 +1 0.1468 H( 792 ILE 55) 4.30651128 +1 -9.69159663 +1 18.44063146 +1 0.1484 H( 793 ILE 55) 2.96086748 +1 -8.69281945 +1 17.89460522 +1 0.1586 H( 794 ILE 55) 2.37590908 +1 -11.15581597 +1 18.00383348 +1 0.1634 H( 795 ILE 55) 3.61640252 +1 -11.51485659 +1 16.80291431 +1 0.1382 H( 796 ILE 55) 2.19286475 +1 -10.55087000 +1 16.36082213 +1 0.1532 H( 797 ILE* 55) 3.64358125 +1 -10.13831571 +1 14.41814096 +1 0.3535 N( 798 PHE* 56) 4.36000000 +0 -5.85200000 +0 15.11700000 +0 -0.5960 C( 799 PHE* 56) 5.05300000 +0 -4.68000000 +0 14.55300000 +0 0.0168 C( 800 PHE* 56) 5.95800000 +0 -4.13300000 +0 15.68200000 +0 0.5825 O( 801 PHE* 56) 5.52700000 +0 -3.76800000 +0 16.77000000 +0 -0.5826 C( 802 PHE 56) 4.04800000 +0 -3.60000000 +0 14.11800000 +0 -0.3135 C( 803 PHE 56) 4.71900000 +0 -2.38100000 +0 13.54800000 +0 0.0040 C( 804 PHE 56) 4.55700000 +0 -1.13800000 +0 14.17700000 +0 -0.1745 C( 805 PHE 56) 5.13600000 +0 0.00900000 +0 13.62800000 +0 -0.1363 C( 806 PHE 56) 5.89000000 +0 -0.08200000 +0 12.45500000 +0 -0.1730 C( 807 PHE 56) 6.06700000 +0 -1.32100000 +0 11.83200000 +0 -0.1429 C( 808 PHE 56) 5.48400000 +0 -2.46900000 +0 12.37400000 +0 -0.1964 H( 809 PHE* 56) 5.66867029 +1 -4.99428462 +1 13.66729227 +1 0.1848 H( 810 PHE 56) 3.39664377 +1 -3.32920278 +1 14.97877483 +1 0.1731 H( 811 PHE 56) 3.35894478 +1 -4.03554306 +1 13.35730562 +1 0.1795 H( 812 PHE 56) 3.96474805 +1 -1.06664415 +1 15.08870174 +1 0.1599 H( 813 PHE 56) 5.59018697 +1 -3.42999095 +1 11.86742868 +1 0.1738 H( 814 PHE 56) 6.64595582 +1 -1.38957724 +1 10.91434632 +1 0.1471 H( 815 PHE 56) 6.33909799 +1 0.81257710 +1 12.02176199 +1 0.1553 H( 816 PHE 56) 4.99819489 +1 0.98030587 +1 14.11374021 +1 0.1793 H( 817 PHE* 56) 3.83762848 +1 -5.67838657 +1 15.98691704 +1 0.3693 N( 818 SER* 57) 7.30500000 +0 -4.08600000 +0 15.36400000 +0 -0.6152 C( 819 SER* 57) 8.30900000 +0 -3.63300000 +0 16.33900100 +0 -0.0500 C( 820 SER* 57) 8.16400000 +0 -2.14000000 +0 16.67100000 +0 0.6105 O( 821 SER* 57) 8.28200000 +0 -1.73400000 +0 17.82500100 +0 -0.6414 C( 822 SER 57) 9.74200000 +0 -3.91300000 +0 15.84300000 +0 -0.0090 O( 823 SER 57) 10.08500000 +0 -3.06600000 +0 14.74500000 +0 -0.5764 H( 824 SER* 57) 8.14078367 +1 -4.21724295 +1 17.31224452 +1 0.2506 H( 825 SER 57) 10.48622662 +1 -3.64828983 +1 16.61846577 +1 0.1554 H( 826 SER 57) 9.87277679 +1 -4.97120360 +1 15.55640806 +1 0.1471 H( 827 SER 57) 9.69304400 +1 -3.42020725 +1 13.91115298 +1 0.3491 H( 828 SER* 57) 7.63669716 +1 -4.31579292 +1 14.42362713 +1 0.3540 N( 829 ASN* 58) 7.96000000 +0 -1.25800000 +0 15.61800000 +0 -0.5912 C( 830 ASN* 58) 7.72200000 +0 0.18100000 +0 15.81800000 +0 0.0534 C( 831 ASN* 58) 8.96000000 +0 0.93400000 +0 16.35800000 +0 0.5447 O( 832 ASN* 58) 8.81500000 +0 2.06000000 +0 16.83099900 +0 -0.5844 C( 833 ASN 58) 6.55400000 +0 0.43800000 +0 16.78400000 +0 -0.3736 C( 834 ASN 58) 6.19200000 +0 1.91000000 +0 16.79000100 +0 0.6526 N( 835 ASN 58) 6.00500000 +0 2.51200000 +0 18.01400000 +0 -0.6406 O( 836 ASN 58) 5.97400000 +0 2.52300000 +0 15.73800000 +0 -0.6625 H( 837 ASN* 58) 7.47198421 +1 0.63600727 +1 14.80952599 +1 0.1979 H( 838 ASN 58) 6.79011989 +1 0.05668964 +1 17.79854902 +1 0.1862 H( 839 ASN 58) 5.66088987 +1 -0.14690422 +1 16.45769148 +1 0.1980 H( 840 ASN 58) 6.24522859 +1 2.05750743 +1 18.87212928 +1 0.3203 H( 841 ASN 58) 5.83944226 +1 3.50873680 +1 18.05884805 +1 0.3410 H( 842 ASN* 58) 7.93758818 +1 -1.60794192 +1 14.66866006 +1 0.3390 N( 843 ARG* 59) 10.23500000 +0 0.41100000 +0 16.20999900 +0 -0.5920 C( 844 ARG* 59) 11.35000000 +0 1.11100000 +0 16.90200000 +0 0.0006 C( 845 ARG* 59) 11.95200000 +0 2.26500000 +0 16.05400100 +0 0.5541 O( 846 ARG* 59) 13.00500000 +0 2.78400000 +0 16.37000100 +0 -0.5016 C( 847 ARG 59) 12.45200000 +0 0.14400000 +0 17.35100000 +0 -0.2921 C( 848 ARG 59) 12.02700000 +0 -0.88600000 +0 18.40300000 +0 -0.2913 C( 849 ARG 59) 11.41100000 +0 -0.30800000 +0 19.69000100 +0 -0.0697 N( 850 ARG 59) 9.96700000 +0 -0.01500000 +0 19.47400100 +0 -0.6184 C( 851 ARG 59) 8.99300000 +0 0.01200000 +0 20.50600100 +0 0.5909 N( 852 ARG 59) 7.69700000 +0 0.00100000 +0 20.22699900 +0 -0.7903 N( 853 ARG 59) 9.42500000 +0 0.09300000 +0 21.84300000 +0 -0.6189 H( 854 ARG* 59) 10.92189804 +1 1.63251750 +1 17.81935597 +1 0.2044 H( 855 ARG 59) 13.29886967 +1 0.75526415 +1 17.74693032 +1 0.1858 H( 856 ARG 59) 12.87284566 +1 -0.38525564 +1 16.47067558 +1 0.1572 H( 857 ARG 59) 12.92038757 +1 -1.48625318 +1 18.68209513 +1 0.1592 H( 858 ARG 59) 11.32637584 +1 -1.61953307 +1 17.95272953 +1 0.1485 H( 859 ARG 59) 11.54591521 +1 -1.02611438 +1 20.52899990 +1 0.1420 H( 860 ARG 59) 11.91082528 +1 0.64467574 +1 19.97507132 +1 0.1502 H( 861 ARG 59) 9.60545667 +1 -0.41360151 +1 18.60204670 +1 0.3213 H( 862 ARG 59) 7.43510269 +1 -0.32051379 +1 19.30577251 +1 0.2858 H( 863 ARG 59) 10.29057161 +1 0.55776170 +1 22.03230733 +1 0.2932 H( 864 ARG 59) 8.70479322 +1 0.26443225 +1 22.53758604 +1 0.3296 H( 865 ARG* 59) 10.39786086 +1 -0.51868049 +1 15.84932090 +1 0.3388 N( 866 GLU* 60) 11.20400000 +0 2.73100000 +0 14.96800000 +0 -0.6151 C( 867 GLU* 60) 11.38800000 +0 4.09200000 +0 14.42300000 +0 0.0452 C( 868 GLU* 60) 10.67100000 +0 5.17100000 +0 15.28000000 +0 0.5589 O( 869 GLU* 60) 11.09800000 +0 6.31700000 +0 15.33500000 +0 -0.5754 C( 870 GLU 60) 10.80400000 +0 4.19300000 +0 13.00800000 +0 -0.3111 C( 871 GLU 60) 11.57900000 +0 3.36500000 +0 11.98400000 +0 -0.3203 C( 872 GLU 60) 10.71500000 +0 3.03300000 +0 10.80900000 +0 0.6800 O( 873 GLU 60) 11.48800000 +0 2.80400000 +0 9.70000000 +0 -0.5570 O( 874 GLU 60) 9.50800000 +0 2.91700000 +0 10.72500000 +0 -0.5800 H( 875 GLU* 60) 12.49073653 +1 4.33255103 +1 14.42960501 +1 0.2005 H( 876 GLU 60) 10.79173265 +1 5.26857046 +1 12.68118250 +1 0.2268 H( 877 GLU 60) 9.73191201 +1 3.89912923 +1 13.01308784 +1 0.1622 H( 878 GLU 60) 12.48519364 +1 3.92726892 +1 11.64495506 +1 0.2062 H( 879 GLU 60) 11.96839637 +1 2.42254088 +1 12.43052073 +1 0.1869 H( 880 GLU 60) 10.96530594 +1 2.60704743 +1 8.88775959 +1 0.3498 H( 881 GLU* 60) 10.34959477 +1 2.26034383 +1 14.71670665 +1 0.3150 N( 882 GLY* 61) 9.46800000 +0 4.82300000 +0 15.89100000 +0 -0.5799 C( 883 GLY* 61) 8.73100000 +0 5.81600000 +0 16.69100000 +0 -0.1492 C( 884 GLY* 61) 7.61600000 +0 6.46800000 +0 15.86000000 +0 0.5952 O( 885 GLY* 61) 7.54100000 +0 7.69100000 +0 15.76400000 +0 -0.6091 H( 886 GLY* 61) 9.42126662 +1 6.62462088 +1 17.04680728 +1 0.1961 H( 887 GLY* 61) 8.29317299 +1 5.33576625 +1 17.59701849 +1 0.1745 H( 888 GLY* 61) 9.24874874 +1 3.85232689 +1 16.08602616 +1 0.3418 N( 889 LYS* 62) 6.69000000 +0 5.63300000 +0 15.26500000 +0 -0.5782 C( 890 LYS* 62) 5.59200000 +0 6.17100000 +0 14.42600000 +0 0.0161 C( 891 LYS* 62) 4.22400000 +0 5.93500000 +0 15.10600000 +0 0.5916 O( 892 LYS* 62) 3.36800000 +0 6.81100000 +0 15.10600000 +0 -0.5950 C( 893 LYS 62) 5.65100000 +0 5.62200000 +0 12.99500000 +0 -0.3088 C( 894 LYS 62) 5.47100000 +0 4.10600000 +0 12.85200000 +0 -0.2657 C( 895 LYS 62) 6.33400000 +0 3.51600000 +0 11.73200000 +0 -0.3091 C( 896 LYS 62) 6.00300000 +0 4.13700000 +0 10.36500000 +0 -0.1234 N( 897 LYS 62) 6.86200000 +0 3.65200000 +0 9.24800000 +0 -0.6661 H( 898 LYS* 62) 5.71224339 +1 7.29922704 +1 14.37916634 +1 0.1981 H( 899 LYS 62) 6.62765526 +1 5.92317855 +1 12.55737639 +1 0.1614 H( 900 LYS 62) 4.88606416 +1 6.14837028 +1 12.38018169 +1 0.1884 H( 901 LYS 62) 5.72400924 +1 3.58464159 +1 13.79739305 +1 0.1581 H( 902 LYS 62) 4.40125951 +1 3.87100217 +1 12.67578998 +1 0.1407 H( 903 LYS 62) 7.40938326 +1 3.66451377 +1 11.96013867 +1 0.1540 H( 904 LYS 62) 6.19046585 +1 2.41912466 +1 11.68896138 +1 0.1298 H( 905 LYS 62) 6.11758368 +1 5.24324920 +1 10.40623460 +1 0.1504 H( 906 LYS 62) 4.93998516 +1 3.93893751 +1 10.10436870 +1 0.1560 H( 907 LYS 62) 7.84165935 +1 3.69984489 +1 9.50217407 +1 0.2694 H( 908 LYS 62) 6.65834535 +1 2.68903939 +1 9.02589050 +1 0.2408 H( 909 LYS* 62) 6.75719930 +1 4.62378041 +1 15.34344865 +1 0.3403 N( 910 LEU* 63) 3.97800000 +0 4.69100000 +0 15.68300000 +0 -0.5744 C( 911 LEU* 63) 2.99200000 +0 4.56200000 +0 16.77700000 +0 0.0317 C( 912 LEU* 63) 3.67700000 +0 5.04800000 +0 18.08000000 +0 0.5607 O( 913 LEU* 63) 4.91000000 +0 5.19400000 +0 18.11500000 +0 -0.6712 C( 914 LEU 63) 2.60800000 +0 3.08600000 +0 16.97400100 +0 -0.3246 C( 915 LEU 63) 1.77300000 +0 2.53100000 +0 15.80200000 +0 -0.0475 C( 916 LEU 63) 0.30200000 +0 2.93000000 +0 15.95100000 +0 -0.4626 C( 917 LEU 63) 1.91800000 +0 1.00700000 +0 15.75000000 +0 -0.4685 H( 918 LEU* 63) 2.09775730 +1 5.19670473 +1 16.54050400 +1 0.1852 H( 919 LEU 63) 2.05403594 +1 2.94235125 +1 17.92317876 +1 0.1625 H( 920 LEU 63) 3.52824023 +1 2.47512378 +1 17.09248307 +1 0.1665 H( 921 LEU 63) 2.16575184 +1 2.95973043 +1 14.84385448 +1 0.1513 H( 922 LEU 63) 0.18193099 +1 4.01794726 +1 16.00178879 +1 0.1481 H( 923 LEU 63) -0.14150370 +1 2.50265191 +1 16.85760054 +1 0.1496 H( 924 LEU 63) -0.28224703 +1 2.58219597 +1 15.09145371 +1 0.1427 H( 925 LEU 63) 2.96632923 +1 0.71017833 +1 15.64646327 +1 0.1400 H( 926 LEU 63) 1.52907641 +1 0.53239023 +1 16.66139317 +1 0.1618 H( 927 LEU 63) 1.37186659 +1 0.59266424 +1 14.89297105 +1 0.1406 H( 928 LEU* 63) 4.72884273 +1 3.99642857 +1 15.73082650 +1 0.3441 N( 929 PRO* 64) 2.92300000 +0 5.28900000 +0 19.19899900 +0 -0.4757 C( 930 PRO* 64) 3.54500000 +0 5.56000000 +0 20.52599900 +0 0.0216 C( 931 PRO* 64) 4.13900000 +0 4.23500000 +0 21.06100100 +0 0.5873 O( 932 PRO* 64) 3.46700000 +0 3.25300000 +0 21.36899900 +0 -0.6243 C( 933 PRO 64) 2.39000000 +0 6.06400000 +0 21.40600000 +0 -0.2858 C( 934 PRO 64) 1.08800000 +0 5.58200000 +0 20.74300000 +0 -0.2576 C( 935 PRO 64) 1.43500000 +0 5.16900000 +0 19.30299900 +0 -0.0573 H( 936 PRO* 64) 4.33424901 +1 6.34947014 +1 20.42156183 +1 0.1907 H( 937 PRO 64) 2.41310369 +1 7.16461915 +1 21.48643649 +1 0.1530 H( 938 PRO 64) 2.48038546 +1 5.69115613 +1 22.44521483 +1 0.1921 H( 939 PRO 64) 0.32716271 +1 6.38381182 +1 20.74627483 +1 0.1589 H( 940 PRO 64) 0.64495826 +1 4.73945925 +1 21.30823181 +1 0.1709 H( 941 PRO 64) 1.12027294 +1 4.12442969 +1 19.09285509 +1 0.1461 H( 942 PRO 64) 0.96303590 +1 5.83518039 +1 18.55236189 +1 0.1438 N( 943 GLY* 65) 5.52600000 +0 4.17800000 +0 21.08600000 +0 -0.5562 C( 944 GLY* 65) 6.20000000 +0 2.97600000 +0 21.59800000 +0 -0.1510 C( 945 GLY* 65) 6.46800000 +0 3.08600000 +0 23.10000000 +0 0.5675 O( 946 GLY* 65) 6.85200000 +0 4.10100000 +0 23.65700000 +0 -0.5318 H( 947 GLY* 65) 7.17387082 +1 2.84311783 +1 21.06963296 +1 0.1740 H( 948 GLY* 65) 5.56705331 +1 2.08122249 +1 21.36256161 +1 0.2039 H( 949 GLY* 65) 6.09751703 +1 5.01248182 +1 20.96327131 +1 0.3557 N( 950 LYS* 66) 6.27500000 +0 1.89800000 +0 23.80400100 +0 -0.6219 C( 951 LYS* 66) 6.47400000 +0 1.86300000 +0 25.26300000 +0 0.0220 C( 952 LYS* 66) 7.56100000 +0 0.81500000 +0 25.57200100 +0 0.5803 O( 953 LYS* 66) 7.95500000 +0 -0.03900000 +0 24.78200000 +0 -0.6182 C( 954 LYS 66) 5.16500000 +0 1.53000000 +0 26.00400000 +0 -0.3078 C( 955 LYS 66) 5.08300000 +0 2.17200000 +0 27.38999900 +0 -0.2831 C( 956 LYS 66) 4.79700000 +0 3.67700000 +0 27.32000000 +0 -0.2813 C( 957 LYS 66) 4.36400000 +0 4.24800000 +0 28.67900100 +0 -0.1084 N( 958 LYS 66) 2.90600000 +0 3.98800000 +0 28.91200100 +0 -0.6658 H( 959 LYS* 66) 6.84815484 +1 2.87997829 +1 25.59182632 +1 0.1999 H( 960 LYS 66) 5.03815677 +1 0.43212964 +1 26.09883755 +1 0.1544 H( 961 LYS 66) 4.30138695 +1 1.86386679 +1 25.38772173 +1 0.1793 H( 962 LYS 66) 6.00711120 +1 1.99910346 +1 27.97234747 +1 0.1406 H( 963 LYS 66) 4.28146435 +1 1.66642490 +1 27.97202222 +1 0.1741 H( 964 LYS 66) 5.68869577 +1 4.22214845 +1 26.95588644 +1 0.1445 H( 965 LYS 66) 4.00838135 +1 3.88397351 +1 26.56519929 +1 0.1617 H( 966 LYS 66) 4.99253906 +1 3.83074255 +1 29.49232448 +1 0.1222 H( 967 LYS 66) 4.50656843 +1 5.35054720 +1 28.69120679 +1 0.1367 H( 968 LYS 66) 2.65584024 +1 4.17292619 +1 29.87088056 +1 0.2501 H( 969 LYS 66) 2.66720417 +1 3.01604464 +1 28.70829678 +1 0.2952 H( 970 LYS* 66) 5.93689098 +1 1.05389160 +1 23.34234680 +1 0.3579 N( 971 SER* 67) 8.13300000 +0 0.93600000 +0 26.84100000 +0 -0.6062 C( 972 SER* 67) 9.20400000 +0 0.01100000 +0 27.26800000 +0 -0.0499 C( 973 SER* 67) 8.56900000 +0 -1.36000000 +0 27.59300000 +0 0.5513 O( 974 SER* 67) 8.10600000 +0 -1.64500000 +0 28.69000100 +0 -0.5531 C( 975 SER 67) 9.94200000 +0 0.56700000 +0 28.50499900 +0 -0.0177 O( 976 SER 67) 10.98400000 +0 1.44300000 +0 28.08000000 +0 -0.5294 H( 977 SER* 67) 9.94763841 +1 -0.09049822 +1 26.42697681 +1 0.1897 H( 978 SER 67) 10.48573370 +1 -0.22971883 +1 29.04710278 +1 0.1606 H( 979 SER 67) 9.27799979 +1 1.10384104 +1 29.20861628 +1 0.1610 H( 980 SER 67) 10.59456469 +1 2.21333660 +1 27.61440925 +1 0.3173 H( 981 SER* 67) 7.61876935 +1 1.37786226 +1 27.61297225 +1 0.3523 N( 982 GLY* 68) 8.58100000 +0 -2.26000000 +0 26.53599900 +0 -0.5654 C( 983 GLY* 68) 7.88600000 +0 -3.55100000 +0 26.64500000 +0 -0.1558 C( 984 GLY* 68) 6.45600000 +0 -3.57900000 +0 26.09800000 +0 0.5793 O( 985 GLY* 68) 5.64100000 +0 -4.36100000 +0 26.56600000 +0 -0.5565 H( 986 GLY* 68) 7.84669290 +1 -3.86423276 +1 27.72401391 +1 0.2078 H( 987 GLY* 68) 8.48493349 +1 -4.32912732 +1 26.11140905 +1 0.1792 H( 988 GLY* 68) 8.72910946 +1 -1.89738989 +1 25.59435161 +1 0.3355 N( 989 ARG* 69) 6.15400000 +0 -2.76700000 +0 25.00799900 +0 -0.6102 C( 990 ARG* 69) 4.78600000 +0 -2.73900000 +0 24.44599900 +0 0.0129 C( 991 ARG* 69) 4.84900000 +0 -3.41000000 +0 23.05500000 +0 0.5890 O( 992 ARG* 69) 5.22500000 +0 -2.80800000 +0 22.03599900 +0 -0.6737 C( 993 ARG 69) 4.27300000 +0 -1.30000000 +0 24.30699900 +0 -0.2921 C( 994 ARG 69) 2.92800000 +0 -1.23500000 +0 23.57600000 +0 -0.2793 C( 995 ARG 69) 2.48500000 +0 0.21400000 +0 23.32799900 +0 -0.0772 N( 996 ARG 69) 2.00400000 +0 0.76200000 +0 24.62400100 +0 -0.5580 C( 997 ARG 69) 1.68800000 +0 2.09900000 +0 24.78900000 +0 0.5939 N( 998 ARG 69) 1.21200000 +0 2.48700000 +0 26.01700000 +0 -0.6432 N( 999 ARG 69) 1.88700000 +0 3.04900000 +0 23.80699900 +0 -0.6467 H( 1000 ARG* 69) 4.07871407 +1 -3.31283839 +1 25.11365328 +1 0.2236 H( 1001 ARG 69) 4.13898712 +1 -0.87448568 +1 25.32812283 +1 0.1626 H( 1002 ARG 69) 5.02936168 +1 -0.66418407 +1 23.80919817 +1 0.1621 H( 1003 ARG 69) 2.15776603 +1 -1.78019519 +1 24.17238263 +1 0.1825 H( 1004 ARG 69) 2.98373111 +1 -1.76133035 +1 22.60005413 +1 0.1603 H( 1005 ARG 69) 3.33726423 +1 0.82336509 +1 22.94630109 +1 0.1586 H( 1006 ARG 69) 1.67958958 +1 0.25793233 +1 22.55934438 +1 0.1460 H( 1007 ARG 69) 1.40919630 +1 0.04548687 +1 25.17238844 +1 0.4049 H( 1008 ARG 69) 1.11126090 +1 3.46662312 +1 26.25047939 +1 0.3563 H( 1009 ARG 69) 1.87256818 +1 4.05118031 +1 24.06202323 +1 0.3647 H( 1010 ARG 69) 2.40144907 +1 2.82796135 +1 22.96693166 +1 0.3438 H( 1011 ARG* 69) 6.78342763 +1 -2.06054507 +1 24.64777219 +1 0.3347 N( 1012 THR* 70) 4.39100000 +0 -4.70100000 +0 22.99399900 +0 -0.5333 C( 1013 THR* 70) 4.23700000 +0 -5.37000000 +0 21.68700000 +0 -0.0623 C( 1014 THR* 70) 3.02600000 +0 -4.74600000 +0 20.95900000 +0 0.6107 O( 1015 THR* 70) 2.00100000 +0 -4.37700000 +0 21.51700000 +0 -0.6012 C( 1016 THR 70) 4.01900000 +0 -6.90000000 +0 21.88200000 +0 0.1715 C( 1017 THR 70) 3.81100000 +0 -7.62400000 +0 20.56600000 +0 -0.5234 O( 1018 THR 70) 5.15800000 +0 -7.41700000 +0 22.57300000 +0 -0.5585 H( 1019 THR* 70) 5.18213444 +1 -5.22801917 +1 21.09334231 +1 0.1922 H( 1020 THR 70) 3.17975006 +1 -7.09188481 +1 22.60012228 +1 0.1790 H( 1021 THR 70) 4.63026096 +1 -7.46587619 +1 19.85648076 +1 0.1577 H( 1022 THR 70) 3.71236424 +1 -8.70996033 +1 20.74133502 +1 0.1904 H( 1023 THR 70) 2.88391939 +1 -7.31411577 +1 20.06321682 +1 0.1735 H( 1024 THR 70) 5.82655479 +1 -7.77093755 +1 21.95858536 +1 0.3195 H( 1025 THR* 70) 4.20133709 +1 -5.27532687 +1 23.82108089 +1 0.3724 N( 1026 TRP* 71) 3.18200000 +0 -4.66600000 +0 19.58300000 +0 -0.5843 C( 1027 TRP* 71) 2.10300000 +0 -4.20200000 +0 18.69599900 +0 0.0373 C( 1028 TRP* 71) 1.78000000 +0 -5.38400000 +0 17.75300000 +0 0.5857 O( 1029 TRP* 71) 2.64300000 +0 -6.15700000 +0 17.32500100 +0 -0.6550 C( 1030 TRP 71) 2.53200000 +0 -2.99500000 +0 17.83300000 +0 -0.2943 C( 1031 TRP 71) 2.62400000 +0 -1.74900000 +0 18.63100100 +0 -0.1273 C( 1032 TRP 71) 1.53000000 +0 -0.86700000 +0 18.95800000 +0 -0.0886 C( 1033 TRP 71) 0.14100000 +0 -0.90000000 +0 18.72200000 +0 -0.1340 C( 1034 TRP 71) -0.64000000 +0 0.13500000 +0 19.20299900 +0 -0.2032 C( 1035 TRP 71) -0.06600000 +0 1.23300000 +0 19.90200000 +0 -0.1246 C( 1036 TRP 71) 1.29100000 +0 1.30600000 +0 20.14900000 +0 -0.2243 C( 1037 TRP 71) 2.08900000 +0 0.23300000 +0 19.69400000 +0 0.0908 N( 1038 TRP 71) 3.47300000 +0 0.02800000 +0 19.79800000 +0 -0.3699 C( 1039 TRP 71) 3.77500000 +0 -1.20700000 +0 19.19100000 +0 -0.0214 H( 1040 TRP* 71) 1.20074693 +1 -3.92532815 +1 19.31699265 +1 0.2062 H( 1041 TRP 71) 3.50456298 +1 -3.21248998 +1 17.33549583 +1 0.1802 H( 1042 TRP 71) 1.79442933 +1 -2.85986475 +1 17.00862464 +1 0.1602 H( 1043 TRP 71) -0.29385009 +1 -1.73935784 +1 18.18530890 +1 0.1565 H( 1044 TRP 71) -1.72006405 +1 0.12265015 +1 19.05205500 +1 0.1690 H( 1045 TRP 71) -0.72538527 +1 2.02833669 +1 20.24872982 +1 0.1555 H( 1046 TRP 71) 4.77906450 +1 -1.58243882 +1 19.19608096 +1 0.1605 H( 1047 TRP 71) 4.08648074 +1 0.51763076 +1 20.42835190 +1 0.3508 H( 1048 TRP 71) 1.73860026 +1 2.14843816 +1 20.67237874 +1 0.1891 H( 1049 TRP* 71) 4.09357520 +1 -4.77112440 +1 19.14731145 +1 0.3423 N( 1050 ARG* 72) 0.46700000 +0 -5.49200000 +0 17.36300100 +0 -0.5676 C( 1051 ARG* 72) -0.00100000 +0 -6.56400000 +0 16.45400000 +0 0.0256 C( 1052 ARG* 72) -0.87100000 +0 -5.84200000 +0 15.40600000 +0 0.5883 O( 1053 ARG* 72) -1.45800000 +0 -4.78700000 +0 15.65400000 +0 -0.6292 C( 1054 ARG 72) -0.84400000 +0 -7.59900000 +0 17.21600000 +0 -0.3120 C( 1055 ARG 72) 0.02300000 +0 -8.55000000 +0 18.04100000 +0 -0.3130 C( 1056 ARG 72) -0.83600000 +0 -9.32400000 +0 19.05900000 +0 -0.0552 N( 1057 ARG 72) -0.03000000 +0 -10.23100000 +0 19.90200000 +0 -0.6233 C( 1058 ARG 72) 0.70200000 +0 -9.72400000 +0 21.02599900 +0 0.5863 N( 1059 ARG 72) 1.85200000 +0 -10.22900000 +0 21.44199900 +0 -0.8125 N( 1060 ARG 72) 0.07300000 +0 -8.73600000 +0 21.79400100 +0 -0.6237 H( 1061 ARG* 72) 0.88116495 +1 -7.05402075 +1 15.95730551 +1 0.1873 H( 1062 ARG 72) -1.55660435 +1 -7.06803686 +1 17.89361435 +1 0.1892 H( 1063 ARG 72) -1.47807532 +1 -8.17063817 +1 16.50911926 +1 0.1610 H( 1064 ARG 72) 0.80741524 +1 -7.97999141 +1 18.57935645 +1 0.1563 H( 1065 ARG 72) 0.56325782 +1 -9.25701994 +1 17.38379311 +1 0.1460 H( 1066 ARG 72) -1.43404664 +1 -8.63087578 +1 19.69442284 +1 0.1871 H( 1067 ARG 72) -1.59267993 +1 -9.95314529 +1 18.53184051 +1 0.1263 H( 1068 ARG 72) 0.40119648 +1 -10.98762804 +1 19.37260907 +1 0.3273 H( 1069 ARG 72) 2.22024963 +1 -11.03351425 +1 20.97084711 +1 0.2803 H( 1070 ARG 72) 0.62947138 +1 -8.28175399 +1 22.50417983 +1 0.3273 H( 1071 ARG 72) -0.62490416 +1 -8.14384487 +1 21.36994918 +1 0.3292 H( 1072 ARG* 72) -0.27475459 +1 -4.97156914 +1 17.84162965 +1 0.3630 N( 1073 GLU* 73) -0.98500000 +0 -6.42600000 +0 14.15700000 +0 -0.5725 C( 1074 GLU* 73) -1.66600000 +0 -5.69000000 +0 13.07700000 +0 -0.0067 C( 1075 GLU* 73) -2.76900000 +0 -6.57700000 +0 12.47100000 +0 0.6032 O( 1076 GLU* 73) -2.84500000 +0 -7.80100000 +0 12.63600000 +0 -0.6659 C( 1077 GLU 73) -0.69600000 +0 -5.21700000 +0 11.97700000 +0 -0.2677 C( 1078 GLU 73) -0.01900000 +0 -6.35400000 +0 11.21200000 +0 -0.3743 C( 1079 GLU 73) 0.67300000 +0 -5.86200000 +0 9.98200000 +0 0.6993 O( 1080 GLU 73) 1.46100000 +0 -4.78700000 +0 10.23900000 +0 -0.5655 O( 1081 GLU 73) 0.60500000 +0 -6.30300000 +0 8.84300000 +0 -0.6261 H( 1082 GLU* 73) -2.15953806 +1 -4.76942638 +1 13.53634781 +1 0.2265 H( 1083 GLU 73) 0.07875478 +1 -4.56299260 +1 12.43838141 +1 0.1744 H( 1084 GLU 73) -1.25106180 +1 -4.55811662 +1 11.27577786 +1 0.1583 H( 1085 GLU 73) 0.71764905 +1 -6.87563561 +1 11.87179909 +1 0.2072 H( 1086 GLU 73) -0.76664144 +1 -7.13957443 +1 10.93262811 +1 0.2217 H( 1087 GLU 73) 1.74751651 +1 -4.31219154 +1 9.40529622 +1 0.3811 H( 1088 GLU* 73) -0.39294117 +1 -7.19933825 +1 13.86425844 +1 0.3522 N( 1089 ALA* 74) -3.68000000 +0 -5.90900000 +0 11.68500000 +0 -0.5699 C( 1090 ALA* 74) -4.72000000 +0 -6.63900000 +0 10.92400000 +0 0.0479 C( 1091 ALA* 74) -4.95900000 +0 -5.84400000 +0 9.62300000 +0 0.5974 O( 1092 ALA* 74) -5.03500000 +0 -4.61000000 +0 9.61400000 +0 -0.6710 C( 1093 ALA 74) -6.02900000 +0 -6.73000000 +0 11.69800000 +0 -0.4904 H( 1094 ALA* 74) -4.32505820 +1 -7.67497460 +1 10.69483584 +1 0.2139 H( 1095 ALA 74) -6.50268615 +1 -5.74855799 +1 11.83780615 +1 0.1606 H( 1096 ALA 74) -5.87708596 +1 -7.17865132 +1 12.68899807 +1 0.1697 H( 1097 ALA 74) -6.75856916 +1 -7.36704633 +1 11.17158116 +1 0.1807 H( 1098 ALA* 74) -3.76368474 +1 -4.89301184 +1 11.72537234 +1 0.3532 N( 1099 ASP* 75) -5.13600000 +0 -6.58500000 +0 8.47800000 +0 -0.5499 C( 1100 ASP* 75) -5.46900000 +0 -5.94700000 +0 7.18900000 +0 0.0538 C( 1101 ASP* 75) -6.98000000 +0 -5.60300000 +0 7.24100000 +0 0.5900 O( 1102 ASP* 75) -7.84300000 +0 -6.41700000 +0 7.59600000 +0 -0.6591 C( 1103 ASP 75) -5.27500000 +0 -6.88700000 +0 6.00100000 +0 -0.4167 C( 1104 ASP 75) -3.82400000 +0 -7.18600000 +0 5.65600000 +0 0.7679 O( 1105 ASP 75) -3.56800000 +0 -7.31100000 +0 4.41400000 +0 -0.8287 O( 1106 ASP 75) -2.97000000 +0 -7.35200000 +0 6.55100000 +0 -0.7631 H( 1107 ASP* 75) -4.85454570 +1 -5.00866769 +1 7.06913682 +1 0.1866 H( 1108 ASP 75) -5.78437701 +1 -7.86166093 +1 6.19050856 +1 0.1979 H( 1109 ASP 75) -5.77509332 +1 -6.46386387 +1 5.10004090 +1 0.1849 H( 1110 ASP* 75) -4.86620639 +1 -7.57354338 +1 8.42424750 +1 0.3707 N( 1111 ILE* 76) -7.31800000 +0 -4.34900000 +0 6.80600000 +0 -0.5625 C( 1112 ILE* 76) -8.67100000 +0 -3.80000000 +0 7.03900000 +0 -0.0119 C( 1113 ILE* 76) -9.24400000 +0 -3.46300000 +0 5.65900000 +0 0.5805 O( 1114 ILE* 76) -8.54600000 +0 -3.02000000 +0 4.75100000 +0 -0.6137 C( 1115 ILE 76) -8.58800000 +0 -2.52800000 +0 7.92700000 +0 -0.0870 C( 1116 ILE 76) -9.97800000 +0 -1.91800000 +0 8.05200000 +0 -0.4874 C( 1117 ILE 76) -7.96700000 +0 -2.86600000 +0 9.29800000 +0 -0.2694 C( 1118 ILE 76) -8.73600000 +0 -3.91700000 +0 10.08900000 +0 -0.4432 H( 1119 ILE* 76) -9.31671085 +1 -4.56851490 +1 7.55953849 +1 0.2138 H( 1120 ILE 76) -7.91188061 +1 -1.78304655 +1 7.43010200 +1 0.1289 H( 1121 ILE 76) -9.96991762 +1 -1.06928537 +1 8.74691105 +1 0.1702 H( 1122 ILE 76) -10.70237339 +1 -2.64386644 +1 8.44838560 +1 0.1789 H( 1123 ILE 76) -10.36147333 +1 -1.53902597 +1 7.10009434 +1 0.1457 H( 1124 ILE 76) -7.89834464 +1 -1.92912450 +1 9.88811285 +1 0.1427 H( 1125 ILE 76) -6.91976619 +1 -3.20696667 +1 9.15435962 +1 0.1567 H( 1126 ILE 76) -9.81991642 +1 -3.74255272 +1 10.05550206 +1 0.1624 H( 1127 ILE 76) -8.43404272 +1 -3.92509920 +1 11.14227959 +1 0.1389 H( 1128 ILE 76) -8.55385571 +1 -4.92526810 +1 9.69708183 +1 0.1476 H( 1129 ILE* 76) -6.63756610 +1 -3.70031997 +1 6.40236811 +1 0.3593 N( 1130 ASN* 77) -10.59100000 +0 -3.73500000 +0 5.46600000 +0 -0.5925 C( 1131 ASN* 77) -11.25800000 +0 -3.38800000 +0 4.19400000 +0 0.0581 C( 1132 ASN* 77) -10.68900000 +0 -4.23600000 +0 3.02900000 +0 0.5990 O( 1133 ASN* 77) -10.73700000 +0 -3.81700000 +0 1.86300000 +0 -0.6906 C( 1134 ASN 77) -11.11300000 +0 -1.89200000 +0 3.86100000 +0 -0.3997 C( 1135 ASN 77) -11.76200000 +0 -1.03000000 +0 4.91400000 +0 0.6308 N( 1136 ASN 77) -11.33300000 +0 0.27200000 +0 5.02200000 +0 -0.6472 O( 1137 ASN 77) -12.66300000 +0 -1.44000000 +0 5.66200000 +0 -0.6567 H( 1138 ASN* 77) -12.35256106 +1 -3.64565262 +1 4.30253755 +1 0.1904 H( 1139 ASN 77) -10.03336869 +1 -1.62861716 +1 3.74022040 +1 0.2174 H( 1140 ASN 77) -11.58666708 +1 -1.67558278 +1 2.87567514 +1 0.1929 H( 1141 ASN 77) -11.68627642 +1 0.84546976 +1 5.77393212 +1 0.3324 H( 1142 ASN 77) -10.58251330 +1 0.64357636 +1 4.46241801 +1 0.3434 H( 1143 ASN* 77) -11.21078267 +1 -3.87062729 +1 6.27609504 +1 0.3701 N( 1144 TYR* 78) -10.20100000 +0 -5.48500000 +0 3.31900000 +0 -0.5497 C( 1145 TYR* 78) -9.58200000 +0 -6.33500000 +0 2.28000000 +0 0.0234 C( 1146 TYR* 78) -10.62800000 +0 -7.40900000 +0 1.89300000 +0 0.6061 O( 1147 TYR* 78) -11.32000000 +0 -8.01800000 +0 2.69900000 +0 -0.5927 C( 1148 TYR 78) -8.30300000 +0 -7.02000000 +0 2.80700000 +0 -0.3116 C( 1149 TYR 78) -7.79100000 +0 -8.03300000 +0 1.82100000 +0 -0.0987 C( 1150 TYR 78) -8.19200000 +0 -9.37800000 +0 1.91900000 +0 -0.1110 C( 1151 TYR 78) -7.78800000 +0 -10.30800000 +0 0.96800000 +0 -0.2422 C( 1152 TYR 78) -6.96500000 +0 -9.87600000 +0 -0.08500000 +0 0.2986 C( 1153 TYR 78) -6.51100000 +0 -8.55300000 +0 -0.18200000 +0 -0.3023 C( 1154 TYR 78) -6.92500000 +0 -7.64000000 +0 0.78900000 +0 -0.0788 O( 1155 TYR 78) -6.64500000 +0 -10.83800000 +0 -1.01000000 +0 -0.5509 H( 1156 TYR* 78) -9.32352117 +1 -5.69841816 +1 1.39122760 +1 0.1698 H( 1157 TYR 78) -7.52497732 +1 -6.24458091 +1 3.00283950 +1 0.1878 H( 1158 TYR 78) -8.49666273 +1 -7.49337013 +1 3.79372852 +1 0.1835 H( 1159 TYR 78) -8.84377382 +1 -9.69355913 +1 2.73461880 +1 0.1630 H( 1160 TYR 78) -6.56729183 +1 -6.60980172 +1 0.74692084 +1 0.1644 H( 1161 TYR 78) -5.86853825 +1 -8.24435212 +1 -1.00181304 +1 0.1843 H( 1162 TYR 78) -6.05249868 +1 -10.49891113 +1 -1.74135566 +1 0.3734 H( 1163 TYR 78) -8.07976537 +1 -11.35804789 +1 1.02991998 +1 0.1985 H( 1164 TYR* 78) -10.13203110 +1 -5.84671300 +1 4.28282126 +1 0.3754 N( 1165 THR* 79) -10.70400000 +0 -7.66000000 +0 0.52900000 +0 -0.5866 C( 1166 THR* 79) -11.65500000 +0 -8.63800000 +0 -0.02400000 +0 -0.0623 C( 1167 THR* 79) -10.85400000 +0 -9.73100000 +0 -0.76000000 +0 0.5829 O( 1168 THR* 79) -10.73900000 +0 -10.85900000 +0 -0.30100000 +0 -0.5592 C( 1169 THR 79) -12.72200000 +0 -7.94800000 +0 -0.93100000 +0 0.1546 C( 1170 THR 79) -13.51200000 +0 -8.96000000 +0 -1.74100000 +0 -0.5284 O( 1171 THR 79) -13.57200000 +0 -7.17000000 +0 -0.09000000 +0 -0.5389 H( 1172 THR* 79) -12.19564751 +1 -9.13789703 +1 0.83433423 +1 0.2016 H( 1173 THR 79) -12.26427101 +1 -7.15815425 +1 -1.56990194 +1 0.1480 H( 1174 THR 79) -14.40302944 +1 -8.49153635 +1 -2.18371782 +1 0.1737 H( 1175 THR 79) -13.85495081 +1 -9.81215237 +1 -1.14431561 +1 0.1590 H( 1176 THR 79) -12.93096186 +1 -9.36774771 +1 -2.58500360 +1 0.1950 H( 1177 THR 79) -14.22297709 +1 -7.73540195 +1 0.37159024 +1 0.3164 H( 1178 THR* 79) -10.09973297 +1 -7.18919664 +1 -0.12619608 +1 0.3221 N( 1179 SER* 80) -10.21400000 +0 -9.34200000 +0 -1.93400000 +0 -0.5686 C( 1180 SER* 80) -9.63700000 +0 -10.36900000 +0 -2.82800000 +0 -0.0505 C( 1181 SER* 80) -8.62600000 +0 -9.64700000 +0 -3.73700000 +0 0.5573 O( 1182 SER* 80) -8.87700000 +0 -8.55800000 +0 -4.23900000 +0 -0.5715 C( 1183 SER 80) -10.73500000 +0 -11.02200000 +0 -3.70000000 +0 -0.0321 O( 1184 SER 80) -11.61800000 +0 -10.03900000 +0 -4.24300000 +0 -0.5462 H( 1185 SER* 80) -9.12741254 +1 -11.15369676 +1 -2.18810863 +1 0.2082 H( 1186 SER 80) -11.40970962 +1 -11.65527306 +1 -3.09116141 +1 0.1659 H( 1187 SER 80) -10.30666314 +1 -11.61529832 +1 -4.52461829 +1 0.1332 H( 1188 SER 80) -11.08921328 +1 -9.33893068 +1 -4.69269040 +1 0.3306 H( 1189 SER* 80) -10.37973616 +1 -8.44209916 +1 -2.36529737 +1 0.3285 N( 1190 GLY* 81) -7.46400000 +0 -10.34300000 +0 -4.00200000 +0 -0.5615 C( 1191 GLY* 81) -6.41400000 +0 -9.74200000 +0 -4.83400000 +0 -0.1506 C( 1192 GLY* 81) -5.20000000 +0 -9.37400000 +0 -3.99000000 +0 0.6277 O( 1193 GLY* 81) -4.85900000 +0 -9.99700000 +0 -2.97200000 +0 -0.6573 H( 1194 GLY* 81) -6.81906457 +1 -8.85952292 +1 -5.38498000 +1 0.1838 H( 1195 GLY* 81) -6.08471971 +1 -10.49783729 +1 -5.60604058 +1 0.2215 H( 1196 GLY* 81) -7.23413965 +1 -11.25283079 +1 -3.58773305 +1 0.3705 N( 1197 PHE* 82) -4.39000000 +0 -8.35600000 +0 -4.45700000 +0 -0.5657 C( 1198 PHE* 82) -3.17800000 +0 -7.96300000 +0 -3.69500000 +0 0.0269 C( 1199 PHE* 82) -3.60800000 +0 -7.18900000 +0 -2.42200000 +0 0.5376 O( 1200 PHE* 82) -4.74600000 +0 -6.79400000 +0 -2.23900000 +0 -0.5257 C( 1201 PHE 82) -2.23400000 +0 -7.14000000 +0 -4.58100000 +0 -0.3424 C( 1202 PHE 82) -1.40400000 +0 -8.04900000 +0 -5.44500000 +0 0.0250 C( 1203 PHE 82) -1.73400000 +0 -8.26000000 +0 -6.79100000 +0 -0.1764 C( 1204 PHE 82) -0.96100000 +0 -9.12600000 +0 -7.57100000 +0 -0.1372 C( 1205 PHE 82) 0.13900000 +0 -9.78400000 +0 -7.01400000 +0 -0.1729 C( 1206 PHE 82) 0.47400000 +0 -9.56700000 +0 -5.67300000 +0 -0.1412 C( 1207 PHE 82) -0.29700000 +0 -8.70900000 +0 -4.88900000 +0 -0.1930 H( 1208 PHE* 82) -2.66009873 +1 -8.91006117 +1 -3.36210294 +1 0.1852 H( 1209 PHE 82) -1.55285176 +1 -6.50697647 +1 -3.95385750 +1 0.2242 H( 1210 PHE 82) -2.79079709 +1 -6.39750518 +1 -5.18432574 +1 0.1597 H( 1211 PHE 82) -2.58728371 +1 -7.75385594 +1 -7.23096045 +1 0.1464 H( 1212 PHE 82) -0.05071203 +1 -8.55578106 +1 -3.83788320 +1 0.1722 H( 1213 PHE 82) 1.33843001 +1 -10.07272610 +1 -5.23830073 +1 0.1712 H( 1214 PHE 82) 0.72611653 +1 -10.47024463 +1 -7.62398997 +1 0.1681 H( 1215 PHE 82) -1.21903043 +1 -9.29397351 +1 -8.61366361 +1 0.1463 H( 1216 PHE* 82) -4.69175570 +1 -7.72352296 +1 -5.17919244 +1 0.3201 N( 1217 ARG* 83) -2.63000000 +0 -7.09300000 +0 -1.43100000 +0 -0.5893 C( 1218 ARG* 83) -2.96200000 +0 -6.41800000 +0 -0.15500000 +0 0.0309 C( 1219 ARG* 83) -3.14400000 +0 -4.89600000 +0 -0.37900000 +0 0.5967 O( 1220 ARG* 83) -2.40400000 +0 -4.21200000 +0 -1.09400000 +0 -0.6592 C( 1221 ARG 83) -1.85200000 +0 -6.63900000 +0 0.88400000 +0 -0.3020 C( 1222 ARG 83) -1.95900000 +0 -8.01900000 +0 1.54100000 +0 -0.2726 C( 1223 ARG 83) -0.72300000 +0 -8.34300000 +0 2.39300000 +0 -0.0668 N( 1224 ARG 83) -0.97800000 +0 -8.02800000 +0 3.82300000 +0 -0.5440 C( 1225 ARG 83) 0.02400000 +0 -7.72000000 +0 4.70300000 +0 0.5824 N( 1226 ARG 83) -0.29800000 +0 -7.38400000 +0 5.98100000 +0 -0.5704 N( 1227 ARG 83) 1.40100000 +0 -7.95100000 +0 4.41000000 +0 -0.6361 H( 1228 ARG* 83) -3.93801356 +1 -6.85447707 +1 0.21312047 +1 0.1881 H( 1229 ARG 83) -1.90053322 +1 -5.84629297 +1 1.66246921 +1 0.1683 H( 1230 ARG 83) -0.85901778 +1 -6.49586238 +1 0.40687863 +1 0.1854 H( 1231 ARG 83) -2.88765792 +1 -8.08222515 +1 2.15225423 +1 0.1755 H( 1232 ARG 83) -2.06925847 +1 -8.79730623 +1 0.75601247 +1 0.1658 H( 1233 ARG 83) 0.16336552 +1 -7.78512544 +1 2.01902904 +1 0.1520 H( 1234 ARG 83) -0.48666630 +1 -9.43266760 +1 2.32305705 +1 0.1529 H( 1235 ARG 83) -1.99559273 +1 -7.77717136 +1 4.08400300 +1 0.4127 H( 1236 ARG 83) 0.39061767 +1 -7.18918985 +1 6.68522794 +1 0.3363 H( 1237 ARG 83) -1.30530581 +1 -7.20449126 +1 6.23703967 +1 0.3990 H( 1238 ARG 83) 2.00166365 +1 -7.14122787 +1 4.57259523 +1 0.3259 H( 1239 ARG 83) 1.58586980 +1 -8.33902922 +1 3.49124538 +1 0.2997 H( 1240 ARG* 83) -1.63731367 +1 -7.12209306 +1 -1.66039071 +1 0.3469 N( 1241 ASN* 84) -4.24900000 +0 -4.35100000 +0 0.25300000 +0 -0.5523 C( 1242 ASN* 84) -4.45400000 +0 -2.88800000 +0 0.24700000 +0 0.0343 C( 1243 ASN* 84) -3.59200000 +0 -2.27900000 +0 1.37600000 +0 0.6092 O( 1244 ASN* 84) -2.75700000 +0 -2.94600000 +0 1.98500000 +0 -0.6233 C( 1245 ASN 84) -5.94300000 +0 -2.56200000 +0 0.37300000 +0 -0.3997 C( 1246 ASN 84) -6.48000000 +0 -2.70400000 +0 1.78000000 +0 0.6151 N( 1247 ASN 84) -7.80200000 +0 -2.42000000 +0 1.97800000 +0 -0.6354 O( 1248 ASN 84) -5.76600000 +0 -3.05800000 +0 2.73300000 +0 -0.6664 H( 1249 ASN* 84) -4.08029406 +1 -2.47860571 +1 -0.74226223 +1 0.2077 H( 1250 ASN 84) -6.14780394 +1 -1.53837402 +1 -0.02045417 +1 0.2086 H( 1251 ASN 84) -6.51884351 +1 -3.23342609 +1 -0.31128367 +1 0.2035 H( 1252 ASN 84) -8.16770288 +1 -2.47486137 +1 2.92224825 +1 0.3419 H( 1253 ASN 84) -8.36840863 +1 -1.92547510 +1 1.30681923 +1 0.3388 H( 1254 ASN* 84) -4.67241138 +1 -4.83902566 +1 1.05695623 +1 0.3605 N( 1255 SER* 85) -3.77200000 +0 -0.93300000 +0 1.64800000 +0 -0.5825 C( 1256 SER* 85) -2.86500000 +0 -0.23600000 +0 2.57700000 +0 -0.0351 C( 1257 SER* 85) -3.50400000 +0 0.00800000 +0 3.95500000 +0 0.5914 O( 1258 SER* 85) -3.00500000 +0 0.82800000 +0 4.73000000 +0 -0.6266 C( 1259 SER 85) -2.40500000 +0 1.11300000 +0 1.94900000 +0 -0.0149 O( 1260 SER 85) -2.92800000 +0 1.26300000 +0 0.63300000 +0 -0.5775 H( 1261 SER* 85) -1.95550522 +1 -0.88226885 +1 2.77013187 +1 0.2086 H( 1262 SER 85) -1.29933691 +1 1.17105997 +1 1.90474244 +1 0.1696 H( 1263 SER 85) -2.82980645 +1 1.98521814 +1 2.48510614 +1 0.1588 H( 1264 SER 85) -2.58627891 +1 0.53582202 +1 0.05403680 +1 0.3546 H( 1265 SER* 85) -4.48483742 +1 -0.36800846 +1 1.20885582 +1 0.3360 N( 1266 ASP* 86) -4.63100000 +0 -0.71600000 +0 4.28200000 +0 -0.5797 C( 1267 ASP* 86) -5.38000000 +0 -0.47500000 +0 5.53100000 +0 0.0381 C( 1268 ASP* 86) -4.90900000 +0 -1.48800000 +0 6.60200000 +0 0.5881 O( 1269 ASP* 86) -4.92700000 +0 -2.71100000 +0 6.42500000 +0 -0.6435 C( 1270 ASP 86) -6.87200000 +0 -0.71400000 +0 5.28700000 +0 -0.4038 C( 1271 ASP 86) -7.53000000 +0 0.38900000 +0 4.51800000 +0 0.7333 O( 1272 ASP 86) -8.51500000 +0 -0.04000000 +0 3.73600000 +0 -0.6656 O( 1273 ASP 86) -7.25600000 +0 1.59000000 +0 4.57000000 +0 -0.6406 H( 1274 ASP* 86) -5.19144185 +1 0.59230973 +1 5.86044679 +1 0.2232 H( 1275 ASP 86) -7.42066284 +1 -0.84443340 +1 6.25626293 +1 0.2049 H( 1276 ASP 86) -7.01416469 +1 -1.69694094 +1 4.75518399 +1 0.2392 H( 1277 ASP 86) -8.96072606 +1 0.62947585 +1 3.02698318 +1 0.4397 H( 1278 ASP* 86) -4.93388664 +1 -1.53287924 +1 3.74791545 +1 0.3566 N( 1279 ARG* 87) -4.52200000 +0 -0.94200000 +0 7.80400000 +0 -0.5604 C( 1280 ARG* 87) -4.08500000 +0 -1.80400000 +0 8.91800000 +0 0.0075 C( 1281 ARG* 87) -4.67300000 +0 -1.22200000 +0 10.21600000 +0 0.5830 O( 1282 ARG* 87) -4.70800000 +0 -0.01300000 +0 10.45200000 +0 -0.6441 C( 1283 ARG 87) -2.55300000 +0 -1.82800000 +0 9.10800000 +0 -0.2991 C( 1284 ARG 87) -1.80000000 +0 -2.41500000 +0 7.91800000 +0 -0.3180 C( 1285 ARG 87) -2.15500000 +0 -3.88700000 +0 7.66100000 +0 -0.0712 N( 1286 ARG 87) -1.24600000 +0 -4.53400000 +0 6.68000000 +0 -0.5454 C( 1287 ARG 87) -1.25300000 +0 -4.09600000 +0 5.32100000 +0 0.5928 N( 1288 ARG 87) -0.20500000 +0 -4.38900000 +0 4.57100000 +0 -0.8274 N( 1289 ARG 87) -2.38100000 +0 -3.37800000 +0 4.85600000 +0 -0.6901 H( 1290 ARG* 87) -4.46287800 +1 -2.85322149 +1 8.72442912 +1 0.2211 H( 1291 ARG 87) -2.17933530 +1 -0.80192373 +1 9.30506473 +1 0.1549 H( 1292 ARG 87) -2.31864844 +1 -2.41144515 +1 10.02449631 +1 0.1582 H( 1293 ARG 87) -0.70742949 +1 -2.31822801 +1 8.09055191 +1 0.1591 H( 1294 ARG 87) -2.00308491 +1 -1.81867908 +1 7.00285137 +1 0.1676 H( 1295 ARG 87) -2.08645818 +1 -4.48449118 +1 8.59904155 +1 0.1508 H( 1296 ARG 87) -3.20881306 +1 -3.99086235 +1 7.31363508 +1 0.1645 H( 1297 ARG 87) -0.31539066 +1 -4.69372420 +1 7.06188355 +1 0.3056 H( 1298 ARG 87) -0.27890886 +1 -4.22406529 +1 3.57657823 +1 0.2938 H( 1299 ARG 87) -3.25100108 +1 -3.43171259 +1 5.35943833 +1 0.3204 H( 1300 ARG 87) -2.50051732 +1 -3.29440761 +1 3.85845077 +1 0.3256 H( 1301 ARG* 87) -4.37921807 +1 0.06400235 +1 7.90248847 +1 0.3572 N( 1302 ILE* 88) -5.12400000 +0 -2.14500000 +0 11.13500000 +0 -0.5717 C( 1303 ILE* 88) -5.32000000 +0 -1.74400000 +0 12.54400000 +0 -0.0141 C( 1304 ILE* 88) -4.11000000 +0 -2.31300000 +0 13.32000000 +0 0.5918 O( 1305 ILE* 88) -3.52300000 +0 -3.33800000 +0 12.96600000 +0 -0.6589 C( 1306 ILE 88) -6.68500000 +0 -2.24300000 +0 13.08800000 +0 -0.0934 C( 1307 ILE 88) -6.63500000 +0 -3.68900000 +0 13.57000000 +0 -0.4643 C( 1308 ILE 88) -7.17500000 +0 -1.29300000 +0 14.20000000 +0 -0.2806 C( 1309 ILE 88) -8.68900000 +0 -1.34800000 +0 14.34900000 +0 -0.4292 H( 1310 ILE* 88) -5.29813280 +1 -0.61222664 +1 12.59848475 +1 0.2027 H( 1311 ILE 88) -7.41124492 +1 -2.18004727 +1 12.23284695 +1 0.1577 H( 1312 ILE 88) -5.93269783 +1 -3.82221819 +1 14.40287225 +1 0.1516 H( 1313 ILE 88) -7.61786172 +1 -4.01418951 +1 13.93061267 +1 0.1598 H( 1314 ILE 88) -6.31693112 +1 -4.36796217 +1 12.76874015 +1 0.1496 H( 1315 ILE 88) -6.67842182 +1 -1.54290635 +1 15.15658512 +1 0.1447 H( 1316 ILE 88) -6.86867320 +1 -0.24859529 +1 13.97967344 +1 0.1602 H( 1317 ILE 88) -9.03348647 +1 -0.61481731 +1 15.09107659 +1 0.1405 H( 1318 ILE 88) -9.02674570 +1 -2.33879036 +1 14.67628494 +1 0.1486 H( 1319 ILE 88) -9.20593765 +1 -1.11775064 +1 13.41009517 +1 0.1426 H( 1320 ILE* 88) -5.14245367 +1 -3.14192504 +1 10.91608225 +1 0.3575 N( 1321 LEU* 89) -3.69600000 +0 -1.55300000 +0 14.38700000 +0 -0.5824 C( 1322 LEU* 89) -2.53200000 +0 -1.90100000 +0 15.23000000 +0 0.0180 C( 1323 LEU* 89) -3.07300000 +0 -1.91900000 +0 16.67400000 +0 0.5825 O( 1324 LEU* 89) -3.84700000 +0 -1.05300000 +0 17.08799900 +0 -0.6444 C( 1325 LEU 89) -1.41800000 +0 -0.84200000 +0 15.11800000 +0 -0.3117 C( 1326 LEU 89) -0.27500000 +0 -1.23200000 +0 14.15700000 +0 -0.0521 C( 1327 LEU 89) -0.78100000 +0 -1.49700000 +0 12.73600000 +0 -0.4604 C( 1328 LEU 89) 0.51300000 +0 -2.43000000 +0 14.69300000 +0 -0.4656 H( 1329 LEU* 89) -2.14480629 +1 -2.91496003 +1 14.92475428 +1 0.2121 H( 1330 LEU 89) -0.98342715 +1 -0.64742646 +1 16.12289741 +1 0.1631 H( 1331 LEU 89) -1.85206336 +1 0.12587635 +1 14.79812092 +1 0.1513 H( 1332 LEU 89) 0.42283290 +1 -0.34851111 +1 14.10775489 +1 0.1329 H( 1333 LEU 89) -1.41704224 +1 -0.68201465 +1 12.37683637 +1 0.1377 H( 1334 LEU 89) 0.05229083 +1 -1.61487057 +1 12.03688660 +1 0.1360 H( 1335 LEU 89) -1.38295021 +1 -2.41503143 +1 12.68994891 +1 0.1633 H( 1336 LEU 89) 0.90341924 +1 -2.22782746 +1 15.69884926 +1 0.1455 H( 1337 LEU 89) -0.10853897 +1 -3.33075488 +1 14.75722347 +1 0.1679 H( 1338 LEU 89) 1.35979056 +1 -2.66709760 +1 14.04068678 +1 0.1404 H( 1339 LEU* 89) -4.16874968 +1 -0.67479450 +1 14.62769345 +1 0.3621 N( 1340 TYR* 90) -2.59600000 +0 -2.91100000 +0 17.50400000 +0 -0.5558 C( 1341 TYR* 90) -3.16000000 +0 -3.04800000 +0 18.86500000 +0 0.0150 C( 1342 TYR* 90) -1.96400000 +0 -3.46400000 +0 19.73900000 +0 0.6037 O( 1343 TYR* 90) -1.08000000 +0 -4.24500000 +0 19.36300100 +0 -0.6672 C( 1344 TYR 90) -4.34300000 +0 -4.03400000 +0 18.97500000 +0 -0.3221 C( 1345 TYR 90) -4.32300000 +0 -5.17500000 +0 18.00099900 +0 -0.0604 C( 1346 TYR 90) -4.07000000 +0 -6.48200000 +0 18.45299900 +0 -0.0783 C( 1347 TYR 90) -3.97300000 +0 -7.54200000 +0 17.55299900 +0 -0.2590 C( 1348 TYR 90) -4.08000000 +0 -7.25800000 +0 16.18199900 +0 0.2755 C( 1349 TYR 90) -4.42800000 +0 -5.98700000 +0 15.70600000 +0 -0.3052 C( 1350 TYR 90) -4.56100000 +0 -4.95300000 +0 16.63400100 +0 -0.1008 O( 1351 TYR 90) -3.81600000 +0 -8.31200000 +0 15.33400000 +0 -0.5266 H( 1352 TYR* 90) -3.52501019 +1 -2.02437991 +1 19.19700206 +1 0.2068 H( 1353 TYR 90) -4.40785266 +1 -4.41612804 +1 20.02138657 +1 0.2014 H( 1354 TYR 90) -5.29179938 +1 -3.46008064 +1 18.82925751 +1 0.1640 H( 1355 TYR 90) -3.94669618 +1 -6.67360617 +1 19.52414326 +1 0.1867 H( 1356 TYR 90) -4.83183022 +1 -3.95567534 +1 16.29033761 +1 0.1497 H( 1357 TYR 90) -4.55921074 +1 -5.80274167 +1 14.64663569 +1 0.1614 H( 1358 TYR 90) -3.57158100 +1 -7.98563435 +1 14.42681459 +1 0.3523 H( 1359 TYR 90) -3.79131778 +1 -8.56033070 +1 17.89315170 +1 0.1887 H( 1360 TYR* 90) -2.12670315 +1 -3.73641988 +1 17.11960910 +1 0.3615 N( 1361 SER* 91) -1.88600000 +0 -2.87200000 +0 20.97400100 +0 -0.5376 C( 1362 SER* 91) -0.70500000 +0 -3.05000000 +0 21.83700000 +0 -0.0564 C( 1363 SER* 91) -1.04700000 +0 -4.05100000 +0 22.95000100 +0 0.6002 O( 1364 SER* 91) -2.20700000 +0 -4.34200000 +0 23.26300000 +0 -0.6577 C( 1365 SER 91) -0.27400000 +0 -1.67600000 +0 22.42600100 +0 -0.0071 O( 1366 SER 91) -1.35000000 +0 -0.74600000 +0 22.46900000 +0 -0.5844 H( 1367 SER* 91) 0.14735696 +1 -3.46637018 +1 21.21638297 +1 0.2168 H( 1368 SER 91) 0.03181760 +1 -1.73897369 +1 23.49099539 +1 0.1826 H( 1369 SER 91) 0.53479177 +1 -1.24135915 +1 21.81006459 +1 0.1335 H( 1370 SER 91) -1.72503935 +1 -0.53670040 +1 21.57946364 +1 0.3534 H( 1371 SER* 91) -2.60015917 +1 -2.23411577 +1 21.32907956 +1 0.3564 N( 1372 SER* 92) 0.02400000 +0 -4.58100000 +0 23.63500000 +0 -0.5547 C( 1373 SER* 92) -0.20800000 +0 -5.50100000 +0 24.77000000 +0 -0.0060 C( 1374 SER* 92) -0.78300000 +0 -4.79600000 +0 26.01800000 +0 0.5781 O( 1375 SER* 92) -1.16800000 +0 -5.47100000 +0 26.97400100 +0 -0.6209 C( 1376 SER 92) 1.08800000 +0 -6.23700000 +0 25.14800100 +0 -0.0071 O( 1377 SER 92) 1.34900000 +0 -7.16100000 +0 24.08900100 +0 -0.6309 H( 1378 SER* 92) -0.98525854 +1 -6.26628736 +1 24.46198904 +1 0.1950 H( 1379 SER 92) 0.95563370 +1 -6.81696338 +1 26.07944495 +1 0.1427 H( 1380 SER 92) 1.95196198 +1 -5.54856773 +1 25.24157694 +1 0.1706 H( 1381 SER 92) 2.33949403 +1 -7.30251890 +1 24.06214168 +1 0.3760 H( 1382 SER* 92) 0.97811921 +1 -4.53912819 +1 23.27641331 +1 0.3622 N( 1383 ASP* 93) -0.93300000 +0 -3.42300000 +0 26.00000000 +0 -0.5874 C( 1384 ASP* 93) -1.72300000 +0 -2.72600000 +0 27.03400000 +0 0.0368 C( 1385 ASP* 93) -3.02800000 +0 -2.11300000 +0 26.43899900 +0 0.5596 O( 1386 ASP* 93) -3.64200000 +0 -1.26100000 +0 27.05699900 +0 -0.5312 C( 1387 ASP 93) -0.91400000 +0 -1.65100000 +0 27.76300000 +0 -0.4134 C( 1388 ASP 93) 0.01300000 +0 -0.78400000 +0 26.92799900 +0 0.7816 O( 1389 ASP 93) 0.50000000 +0 0.23300000 +0 27.49300000 +0 -0.8361 O( 1390 ASP 93) 0.31400000 +0 -1.09200000 +0 25.73900000 +0 -0.7856 H( 1391 ASP* 93) -2.08378754 +1 -3.48456335 +1 27.79279204 +1 0.1784 H( 1392 ASP 93) -0.28843542 +1 -2.12028115 +1 28.55120605 +1 0.1713 H( 1393 ASP 93) -1.61462344 +1 -0.96897165 +1 28.30664088 +1 0.2062 H( 1394 ASP* 93) -0.33459142 +1 -2.80552991 +1 25.43479251 +1 0.3732 N( 1395 TRP* 94) -3.45500000 +0 -2.59000000 +0 25.19700100 +0 -0.6088 C( 1396 TRP* 94) -4.84400000 +0 -2.43700000 +0 24.70599900 +0 0.0467 C( 1397 TRP* 94) -5.10900000 +0 -1.04500000 +0 24.09800000 +0 0.5934 O( 1398 TRP* 94) -6.23100000 +0 -0.55100000 +0 24.04400100 +0 -0.6165 C( 1399 TRP 94) -5.90400000 +0 -2.79800000 +0 25.76700000 +0 -0.2714 C( 1400 TRP 94) -5.79500000 +0 -4.24100000 +0 26.09000000 +0 -0.1138 C( 1401 TRP 94) -6.12200000 +0 -5.33600000 +0 25.20400000 +0 -0.0930 C( 1402 TRP 94) -6.69600000 +0 -5.42200000 +0 23.92200100 +0 -0.1096 C( 1403 TRP 94) -6.83500000 +0 -6.66700000 +0 23.33300000 +0 -0.2149 C( 1404 TRP 94) -6.41600000 +0 -7.85000000 +0 24.00000000 +0 -0.1305 C( 1405 TRP 94) -5.87200000 +0 -7.81200000 +0 25.27000000 +0 -0.2051 C( 1406 TRP 94) -5.73400000 +0 -6.54600000 +0 25.87500000 +0 0.1122 N( 1407 TRP 94) -5.25000000 +0 -6.19500000 +0 27.14500000 +0 -0.3794 C( 1408 TRP 94) -5.25300000 +0 -4.78700000 +0 27.24500100 +0 -0.0162 H( 1409 TRP* 94) -4.95157847 +1 -3.16006617 +1 23.83917966 +1 0.1680 H( 1410 TRP 94) -5.77873325 +1 -2.15925929 +1 26.67113880 +1 0.1920 H( 1411 TRP 94) -6.91315033 +1 -2.54938829 +1 25.37395066 +1 0.1620 H( 1412 TRP 94) -7.03695073 +1 -4.51995005 +1 23.42080094 +1 0.1522 H( 1413 TRP 94) -7.28857505 +1 -6.75700535 +1 22.34817105 +1 0.1573 H( 1414 TRP 94) -6.53133316 +1 -8.80807802 +1 23.49081141 +1 0.1654 H( 1415 TRP 94) -4.89540981 +1 -4.29926743 +1 28.13120314 +1 0.1679 H( 1416 TRP 94) -4.83308458 +1 -6.81689963 +1 27.79464860 +1 0.3158 H( 1417 TRP 94) -5.56323974 +1 -8.71298351 +1 25.78717591 +1 0.1619 H( 1418 TRP* 94) -2.93576269 +1 -3.36562457 +1 24.78337698 +1 0.3473 N( 1419 LEU* 95) -4.04200000 +0 -0.48100000 +0 23.40500100 +0 -0.5832 C( 1420 LEU* 95) -4.19200000 +0 0.80600000 +0 22.69800000 +0 0.0339 C( 1421 LEU* 95) -4.17200000 +0 0.42200000 +0 21.19500000 +0 0.6013 O( 1422 LEU* 95) -3.38600000 +0 -0.38600000 +0 20.69300100 +0 -0.6469 C( 1423 LEU 95) -3.07000000 +0 1.80000000 +0 23.00900100 +0 -0.3218 C( 1424 LEU 95) -3.05500000 +0 2.22600000 +0 24.49500100 +0 -0.0489 C( 1425 LEU 95) -4.38100000 +0 2.85400000 +0 24.93199900 +0 -0.4647 C( 1426 LEU 95) -1.88000000 +0 3.18400000 +0 24.73100100 +0 -0.4598 H( 1427 LEU* 95) -5.18869755 +1 1.26342033 +1 22.96727423 +1 0.1953 H( 1428 LEU 95) -2.07904778 +1 1.36757648 +1 22.75289506 +1 0.1720 H( 1429 LEU 95) -3.18998686 +1 2.69644495 +1 22.36810726 +1 0.1569 H( 1430 LEU 95) -2.88301936 +1 1.30878461 +1 25.11920089 +1 0.1541 H( 1431 LEU 95) -4.26829290 +1 3.42550649 +1 25.85861085 +1 0.1450 H( 1432 LEU 95) -5.13353883 +1 2.07728370 +1 25.13313241 +1 0.1608 H( 1433 LEU 95) -4.80676547 +1 3.51397310 +1 24.17079371 +1 0.1450 H( 1434 LEU 95) -1.78918921 +1 3.43288689 +1 25.79391254 +1 0.1456 H( 1435 LEU 95) -0.93434751 +1 2.72447850 +1 24.41679224 +1 0.1536 H( 1436 LEU 95) -2.01015534 +1 4.11057739 +1 24.15475153 +1 0.1391 H( 1437 LEU* 95) -3.08885752 +1 -0.80498018 +1 23.56146701 +1 0.3558 N( 1438 ILE* 96) -5.13600000 +0 1.03900000 +0 20.41300000 +0 -0.5972 C( 1439 ILE* 96) -5.48500000 +0 0.50900000 +0 19.08000000 +0 -0.0108 C( 1440 ILE* 96) -5.54000000 +0 1.71600000 +0 18.12200000 +0 0.6120 O( 1441 ILE* 96) -6.23700000 +0 2.70600000 +0 18.36000100 +0 -0.6739 C( 1442 ILE 96) -6.85300000 +0 -0.23200000 +0 19.07500100 +0 -0.1161 C( 1443 ILE 96) -7.25200000 +0 -0.55200000 +0 17.63299900 +0 -0.4653 C( 1444 ILE 96) -6.78200000 +0 -1.51100000 +0 19.93400000 +0 -0.2515 C( 1445 ILE 96) -8.16400000 +0 -2.02700000 +0 20.31900000 +0 -0.4385 H( 1446 ILE* 96) -4.67641216 +1 -0.21771862 +1 18.76596374 +1 0.2172 H( 1447 ILE 96) -7.62929719 +1 0.44962112 +1 19.51079689 +1 0.1454 H( 1448 ILE 96) -6.44308187 +1 -1.07982237 +1 17.10591841 +1 0.1630 H( 1449 ILE 96) -8.13825778 +1 -1.19621976 +1 17.59972499 +1 0.1551 H( 1450 ILE 96) -7.48325382 +1 0.35266623 +1 17.05988855 +1 0.1439 H( 1451 ILE 96) -6.19627125 +1 -1.31622733 +1 20.85588406 +1 0.1517 H( 1452 ILE 96) -6.22653933 +1 -2.29649162 +1 19.38058408 +1 0.1364 H( 1453 ILE 96) -8.69301226 +1 -1.32716528 +1 20.98245613 +1 0.1539 H( 1454 ILE 96) -8.09258219 +1 -2.97705547 +1 20.86441412 +1 0.1509 H( 1455 ILE 96) -8.80402947 +1 -2.19886538 +1 19.44791195 +1 0.1376 H( 1456 ILE* 96) -5.70426479 +1 1.79548211 +1 20.78538023 +1 0.3457 N( 1457 TYR* 97) -4.76700000 +0 1.60500000 +0 16.99000000 +0 -0.5767 C( 1458 TYR* 97) -4.56600000 +0 2.68900000 +0 16.01000000 +0 0.0306 C( 1459 TYR* 97) -4.98800000 +0 2.15900000 +0 14.62500000 +0 0.5846 O( 1460 TYR* 97) -5.04300000 +0 0.95900000 +0 14.34800000 +0 -0.6619 C( 1461 TYR 97) -3.06700000 +0 3.06700000 +0 15.94300000 +0 -0.2951 C( 1462 TYR 97) -2.72200000 +0 4.18900000 +0 16.87900000 +0 -0.0645 C( 1463 TYR 97) -2.46400000 +0 5.46600000 +0 16.36400000 +0 -0.0953 C( 1464 TYR 97) -2.13300000 +0 6.52200000 +0 17.21200000 +0 -0.2872 C( 1465 TYR 97) -2.05600000 +0 6.27900000 +0 18.59199900 +0 0.2905 C( 1466 TYR 97) -2.28800000 +0 5.00000000 +0 19.12999900 +0 -0.2531 C( 1467 TYR 97) -2.62400000 +0 3.96300000 +0 18.26400000 +0 -0.0943 O( 1468 TYR 97) -1.74600000 +0 7.26600000 +0 19.48800100 +0 -0.5516 H( 1469 TYR* 97) -5.18960091 +1 3.58510107 +1 16.29411885 +1 0.2097 H( 1470 TYR 97) -2.44377400 +1 2.17507176 +1 16.17573037 +1 0.1649 H( 1471 TYR 97) -2.79429246 +1 3.34107775 +1 14.90103991 +1 0.1621 H( 1472 TYR 97) -2.55912088 +1 5.64759530 +1 15.29244869 +1 0.1526 H( 1473 TYR 97) -2.81802664 +1 2.96656810 +1 18.66180201 +1 0.1619 H( 1474 TYR 97) -2.21584130 +1 4.83798546 +1 20.20392622 +1 0.1842 H( 1475 TYR 97) -1.85213544 +1 8.16408983 +1 19.04196524 +1 0.3764 H( 1476 TYR 97) -1.93951332 +1 7.50798415 +1 16.80306098 +1 0.1702 H( 1477 TYR* 97) -4.34639874 +1 0.69984036 +1 16.74525109 +1 0.3627 N( 1478 LYS* 98) -5.23200000 +0 3.10700000 +0 13.65000000 +0 -0.5616 C( 1479 LYS* 98) -5.56100000 +0 2.67200000 +0 12.27700000 +0 0.0181 C( 1480 LYS* 98) -4.59900000 +0 3.37500000 +0 11.30200000 +0 0.6022 O( 1481 LYS* 98) -3.96700000 +0 4.39300000 +0 11.58000000 +0 -0.6015 C( 1482 LYS 98) -7.02200000 +0 2.96500000 +0 11.90400000 +0 -0.3146 C( 1483 LYS 98) -7.33900000 +0 4.37500000 +0 11.39800000 +0 -0.2813 C( 1484 LYS 98) -8.73100000 +0 4.38400000 +0 10.75400000 +0 -0.2923 C( 1485 LYS 98) -9.06900000 +0 5.74500000 +0 10.13000000 +0 -0.1057 N( 1486 LYS 98) -10.43100000 +0 5.66200000 +0 9.51800000 +0 -0.6591 H( 1487 LYS* 98) -5.39021477 +1 1.55281919 +1 12.20730974 +1 0.1941 H( 1488 LYS 98) -7.66611083 +1 2.73305118 +1 12.78121670 +1 0.1643 H( 1489 LYS 98) -7.31775806 +1 2.23402140 +1 11.12068454 +1 0.1603 H( 1490 LYS 98) -7.29748397 +1 5.10040422 +1 12.23826103 +1 0.1493 H( 1491 LYS 98) -6.57644067 +1 4.72161040 +1 10.66845164 +1 0.1718 H( 1492 LYS 98) -9.50357896 +1 4.12744231 +1 11.50585800 +1 0.1529 H( 1493 LYS 98) -8.79818624 +1 3.59070503 +1 9.98162245 +1 0.1458 H( 1494 LYS 98) -9.09078108 +1 6.53168791 +1 10.91742024 +1 0.1543 H( 1495 LYS 98) -8.29290754 +1 6.05337558 +1 9.40011455 +1 0.1125 H( 1496 LYS 98) -10.42466751 +1 5.06060261 +1 8.71020334 +1 0.2402 H( 1497 LYS 98) -10.75520203 +1 6.57341712 +1 9.23580709 +1 0.2489 H( 1498 LYS* 98) -5.26941922 +1 4.10631503 +1 13.85304862 +1 0.3651 N( 1499 THR* 99) -4.54400000 +0 2.81000000 +0 10.04000000 +0 -0.5845 C( 1500 THR* 99) -3.77400000 +0 3.44400000 +0 8.95700000 +0 -0.0430 C( 1501 THR* 99) -4.49300000 +0 3.05300000 +0 7.65600000 +0 0.6052 O( 1502 THR* 99) -4.65700000 +0 1.87300000 +0 7.33200000 +0 -0.6468 C( 1503 THR 99) -2.27200000 +0 3.01200000 +0 8.88600000 +0 0.1757 C( 1504 THR 99) -1.95100000 +0 1.71400000 +0 9.60000000 +0 -0.5045 O( 1505 THR 99) -1.86800000 +0 2.91500000 +0 7.50800000 +0 -0.6211 H( 1506 THR* 99) -3.80078452 +1 4.56693034 +1 9.12092699 +1 0.2199 H( 1507 THR 99) -1.63322779 +1 3.85775229 +1 9.23988828 +1 0.1586 H( 1508 THR 99) -0.91214603 +1 1.40842457 +1 9.42283283 +1 0.1606 H( 1509 THR 99) -2.09243620 +1 1.81319933 +1 10.68518919 +1 0.1724 H( 1510 THR 99) -2.61018533 +1 0.89694540 +1 9.26875709 +1 0.1686 H( 1511 THR 99) -2.31212438 +1 2.17229264 +1 7.03910288 +1 0.3542 H( 1512 THR* 99) -4.82049271 +1 1.84276926 +1 9.87851068 +1 0.3525 N( 1513 THR*100) -4.91900000 +0 4.08700000 +0 6.85900000 +0 -0.5533 C( 1514 THR*100) -5.33600000 +0 3.85000000 +0 5.47000000 +0 -0.0624 C( 1515 THR*100) -4.16400000 +0 3.77700000 +0 4.47200000 +0 0.5889 O( 1516 THR*100) -4.36400000 +0 3.31900000 +0 3.34400000 +0 -0.6415 C( 1517 THR 100) -6.34200000 +0 4.93600000 +0 4.98800000 +0 0.1771 C( 1518 THR 100) -7.75800000 +0 4.62000000 +0 5.44400000 +0 -0.4742 O( 1519 THR 100) -6.05700000 +0 6.24000000 +0 5.52200000 +0 -0.5940 H( 1520 THR*100) -5.84389791 +1 2.83015607 +1 5.41889197 +1 0.2375 H( 1521 THR 100) -6.28143899 +1 5.04927732 +1 3.87946378 +1 0.1425 H( 1522 THR 100) -7.81275257 +1 4.44926312 +1 6.52655562 +1 0.1577 H( 1523 THR 100) -8.14909693 +1 3.71692091 +1 4.95577666 +1 0.1746 H( 1524 THR 100) -8.43933742 +1 5.44801236 +1 5.20215719 +1 0.1680 H( 1525 THR 100) -5.08307978 +1 6.41843333 +1 5.58816126 +1 0.3640 H( 1526 THR*100) -4.76600049 +1 5.05969500 +1 7.14021753 +1 0.3624 N( 1527 ASP*101) -2.90500000 +0 4.22300000 +0 4.83200000 +0 -0.5684 C( 1528 ASP*101) -1.79900000 +0 4.11200000 +0 3.86600000 +0 0.0328 C( 1529 ASP*101) -0.52800000 +0 3.57800000 +0 4.57300000 +0 0.5847 O( 1530 ASP*101) 0.38600000 +0 4.33700000 +0 4.88800000 +0 -0.6147 C( 1531 ASP 101) -1.48000000 +0 5.44100000 +0 3.16200000 +0 -0.4117 C( 1532 ASP 101) -0.73800000 +0 6.44400000 +0 4.00700000 +0 0.7396 O( 1533 ASP 101) 0.55700000 +0 6.68900000 +0 3.71200000 +0 -0.6079 O( 1534 ASP 101) -1.22700000 +0 7.14400000 +0 4.88000000 +0 -0.5941 H( 1535 ASP*101) -2.10211141 +1 3.36941508 +1 3.05838647 +1 0.2010 H( 1536 ASP 101) -0.89963340 +1 5.23211960 +1 2.23359597 +1 0.1928 H( 1537 ASP 101) -2.43224948 +1 5.90783667 +1 2.81384928 +1 0.1999 H( 1538 ASP 101) 1.18710711 +1 5.93945067 +1 3.46146091 +1 0.4298 H( 1539 ASP*101) -2.75287310 +1 4.80866540 +1 5.65809608 +1 0.3684 N( 1540 HIS*102) -0.48300000 +0 2.21800000 +0 4.79500000 +0 -0.5785 C( 1541 HIS*102) 0.77600000 +0 1.49300000 +0 5.08800000 +0 0.0468 C( 1542 HIS*102) 1.64300000 +0 2.19300000 +0 6.15900000 +0 0.5853 O( 1543 HIS*102) 2.84100000 +0 2.40300000 +0 5.99900000 +0 -0.5926 C( 1544 HIS 102) 1.59800000 +0 1.30800000 +0 3.79700000 +0 -0.2888 C( 1545 HIS 102) 2.61500000 +0 0.24100000 +0 3.93400000 +0 0.0367 C( 1546 HIS 102) 2.51300000 +0 -1.15300000 +0 3.83200000 +0 -0.0945 N( 1547 HIS 102) 3.77000000 +0 -1.73300000 +0 4.00500000 +0 -0.4631 C( 1548 HIS 102) 4.64000000 +0 -0.70900000 +0 4.21700000 +0 0.0627 N( 1549 HIS 102) 3.97000000 +0 0.51600000 +0 4.17600000 +0 -0.3293 H( 1550 HIS*102) 0.49040861 +1 0.48023599 +1 5.49835693 +1 0.1819 H( 1551 HIS 102) 2.05749558 +1 2.27621263 +1 3.49697768 +1 0.1765 H( 1552 HIS 102) 0.90537840 +1 1.05417680 +1 2.95042174 +1 0.2220 H( 1553 HIS 102) 1.63897353 +1 -1.74795494 +1 3.65528205 +1 0.1839 H( 1554 HIS 102) 4.39520622 +1 1.42652153 +1 4.20076689 +1 0.3527 H( 1555 HIS 102) 5.69609282 +1 -0.80556815 +1 4.38569071 +1 0.1855 H( 1556 HIS*102) -1.31740197 +1 1.63178125 +1 4.66899481 +1 0.3687 N( 1557 TYR*103) 1.00500000 +0 2.47600000 +0 7.35700000 +0 -0.6118 C( 1558 TYR*103) 1.74000000 +0 2.92400000 +0 8.55400000 +0 0.0549 C( 1559 TYR*103) 2.29200000 +0 4.36300000 +0 8.43500000 +0 0.5758 O( 1560 TYR*103) 3.09400000 +0 4.76800000 +0 9.28300000 +0 -0.6337 C( 1561 TYR 103) 2.92900000 +0 2.00100000 +0 8.92500000 +0 -0.2899 C( 1562 TYR 103) 2.62200000 +0 0.54500000 +0 8.73600000 +0 -0.0257 C( 1563 TYR 103) 3.12000000 +0 -0.10700000 +0 7.59400000 +0 -0.0972 C( 1564 TYR 103) 2.78000000 +0 -1.42800000 +0 7.32100000 +0 -0.2746 C( 1565 TYR 103) 1.94800000 +0 -2.08900000 +0 8.23000000 +0 0.2570 C( 1566 TYR 103) 1.48500000 +0 -1.49700000 +0 9.41200000 +0 -0.2409 C( 1567 TYR 103) 1.83300000 +0 -0.16600000 +0 9.65400000 +0 -0.1086 O( 1568 TYR 103) 1.52100000 +0 -3.39100000 +0 7.98900000 +0 -0.5514 H( 1569 TYR*103) 1.00201001 +1 2.93128430 +1 9.41125157 +1 0.1806 H( 1570 TYR 103) 3.22406011 +1 2.21450493 +1 9.97609251 +1 0.1728 H( 1571 TYR 103) 3.81482647 +1 2.28637759 +1 8.31124712 +1 0.1789 H( 1572 TYR 103) 3.76852579 +1 0.43485660 +1 6.90068535 +1 0.1740 H( 1573 TYR 103) 1.47287367 +1 0.32487174 +1 10.55740380 +1 0.1583 H( 1574 TYR 103) 0.87663394 +1 -2.06401958 +1 10.11014830 +1 0.1727 H( 1575 TYR 103) 1.82211531 +1 -3.71159135 +1 7.10226321 +1 0.3579 H( 1576 TYR 103) 3.14179290 +1 -1.92657200 +1 6.42388699 +1 0.1831 H( 1577 TYR*103) -0.01306845 +1 2.59132343 +1 7.37827947 +1 0.3591 N( 1578 GLN*104) 1.82300000 +0 5.21700000 +0 7.45500000 +0 -0.5813 C( 1579 GLN*104) 2.32000000 +0 6.61300000 +0 7.41400000 +0 0.0191 C( 1580 GLN*104) 1.41800000 +0 7.44700000 +0 8.36300000 +0 0.5827 O( 1581 GLN*104) 1.90400000 +0 7.98300000 +0 9.35600000 +0 -0.6258 C( 1582 GLN 104) 2.32800000 +0 7.21500000 +0 6.00600000 +0 -0.3081 C( 1583 GLN 104) 3.56500000 +0 6.86800000 +0 5.17500000 +0 -0.3429 C( 1584 GLN 104) 3.44500000 +0 5.53300000 +0 4.47100000 +0 0.6357 N( 1585 GLN 104) 4.15700000 +0 4.48700000 +0 5.00500000 +0 -0.6211 O( 1586 GLN 104) 2.82900000 +0 5.37300000 +0 3.39900000 +0 -0.7056 H( 1587 GLN*104) 3.36479960 +1 6.65491472 +1 7.85072943 +1 0.2039 H( 1588 GLN 104) 2.25925872 +1 8.32280745 +1 6.08482534 +1 0.1681 H( 1589 GLN 104) 1.40037361 +1 6.92605238 +1 5.46139696 +1 0.2000 H( 1590 GLN 104) 4.48303675 +1 6.90082707 +1 5.80933268 +1 0.1974 H( 1591 GLN 104) 3.71067226 +1 7.64993909 +1 4.39464489 +1 0.1804 H( 1592 GLN 104) 4.62923865 +1 4.57859122 +1 5.90018336 +1 0.3495 H( 1593 GLN 104) 4.02516460 +1 3.55547187 +1 4.65929366 +1 0.3214 H( 1594 GLN*104) 1.32080693 +1 4.87632200 +1 6.63893413 +1 0.3543 N( 1595 THR*105) 0.07100000 +0 7.52900000 +0 8.06700000 +0 -0.5546 C( 1596 THR*105) -0.85300000 +0 8.32700000 +0 8.89300000 +0 -0.0604 C( 1597 THR*105) -1.64900000 +0 7.35300000 +0 9.79700000 +0 0.5927 O( 1598 THR*105) -2.54000000 +0 6.61100000 +0 9.36400000 +0 -0.6490 C( 1599 THR 105) -1.82800000 +0 9.17400000 +0 8.01600000 +0 0.1772 C( 1600 THR 105) -1.28700000 +0 10.57300000 +0 7.77500000 +0 -0.5072 O( 1601 THR 105) -2.07900000 +0 8.50000000 +0 6.78000000 +0 -0.5922 H( 1602 THR*105) -0.25687457 +1 9.04499020 +1 9.53115846 +1 0.2101 H( 1603 THR 105) -2.84722187 +1 9.19016029 +1 8.47322694 +1 0.1616 H( 1604 THR 105) -1.93628066 +1 11.12558273 +1 7.08095754 +1 0.1695 H( 1605 THR 105) -1.23649228 +1 11.15645226 +1 8.70513951 +1 0.1742 H( 1606 THR 105) -0.28034157 +1 10.56250967 +1 7.34090393 +1 0.1570 H( 1607 THR 105) -1.35947855 +1 8.63342193 +1 6.12489932 +1 0.3506 H( 1608 THR*105) -0.32659646 +1 7.08962940 +1 7.24207223 +1 0.3453 N( 1609 PHE*106) -1.29200000 +0 7.40400000 +0 11.12000000 +0 -0.5682 C( 1610 PHE*106) -1.88200000 +0 6.52800000 +0 12.15000000 +0 0.0233 C( 1611 PHE*106) -2.90400000 +0 7.36800000 +0 12.96000000 +0 0.5803 O( 1612 PHE*106) -2.60300000 +0 8.40200000 +0 13.55000000 +0 -0.6159 C( 1613 PHE 106) -0.81600000 +0 6.03800000 +0 13.14600000 +0 -0.3388 C( 1614 PHE 106) -0.13500000 +0 4.76800000 +0 12.72600000 +0 0.0276 C( 1615 PHE 106) 1.25000000 +0 4.75700000 +0 12.50700000 +0 -0.1546 C( 1616 PHE 106) 1.90600000 +0 3.56000000 +0 12.20800000 +0 -0.1363 C( 1617 PHE 106) 1.18500000 +0 2.36600000 +0 12.13600000 +0 -0.1831 C( 1618 PHE 106) -0.19800000 +0 2.37500000 +0 12.34200000 +0 -0.1573 C( 1619 PHE 106) -0.86300000 +0 3.57200000 +0 12.61900000 +0 -0.1827 H( 1620 PHE*106) -2.37654297 +1 5.65284058 +1 11.63947041 +1 0.2110 H( 1621 PHE 106) -0.06593708 +1 6.85062669 +1 13.32537536 +1 0.2103 H( 1622 PHE 106) -1.27405098 +1 5.88055451 +1 14.14935986 +1 0.1697 H( 1623 PHE 106) 1.82617282 +1 5.67758967 +1 12.60003358 +1 0.1743 H( 1624 PHE 106) -1.94304283 +1 3.58017671 +1 12.75809005 +1 0.1624 H( 1625 PHE 106) -0.75392094 +1 1.44091617 +1 12.30909109 +1 0.1406 H( 1626 PHE 106) 1.70618339 +1 1.42930434 +1 11.95561721 +1 0.1446 H( 1627 PHE 106) 2.98503957 +1 3.56278489 +1 12.03542243 +1 0.1590 H( 1628 PHE*106) -0.57263024 +1 8.07592248 +1 11.46013772 +1 0.3765 N( 1629 THR*107) -4.17200000 +0 6.82500000 +0 13.05100000 +0 -0.5744 C( 1630 THR*107) -5.24400000 +0 7.49700000 +0 13.80600000 +0 -0.0532 C( 1631 THR*107) -5.43900000 +0 6.70900000 +0 15.11200000 +0 0.5910 O( 1632 THR*107) -5.64900000 +0 5.49200000 +0 15.12900000 +0 -0.6453 C( 1633 THR 107) -6.59700000 +0 7.48600000 +0 13.02100000 +0 0.1609 C( 1634 THR 107) -7.66000000 +0 8.29000000 +0 13.75200000 +0 -0.4815 O( 1635 THR 107) -6.42200000 +0 8.12900000 +0 11.76500000 +0 -0.5761 H( 1636 THR*107) -4.94735949 +1 8.56426523 +1 14.00244450 +1 0.1938 H( 1637 THR 107) -6.92384785 +1 6.43122502 +1 12.84246051 +1 0.1278 H( 1638 THR 107) -7.38582636 +1 9.35136186 +1 13.81597098 +1 0.1654 H( 1639 THR 107) -7.83824107 +1 7.92209423 +1 14.77246966 +1 0.1728 H( 1640 THR 107) -8.61517283 +1 8.24898650 +1 13.21195264 +1 0.1641 H( 1641 THR 107) -5.87984930 +1 7.55404787 +1 11.16304190 +1 0.3527 H( 1642 THR*107) -4.45060557 +1 6.03607792 +1 12.46277894 +1 0.3616 N( 1643 LYS*108) -5.34800000 +0 7.43300000 +0 16.28100000 +0 -0.5673 C( 1644 LYS*108) -5.66100000 +0 6.77800000 +0 17.57099900 +0 0.0196 C( 1645 LYS*108) -7.18900000 +0 6.52000000 +0 17.62200000 +0 0.5709 O( 1646 LYS*108) -8.02900000 +0 7.35600000 +0 17.34199900 +0 -0.5211 C( 1647 LYS 108) -5.24800000 +0 7.66000000 +0 18.75799900 +0 -0.3048 C( 1648 LYS 108) -5.40500000 +0 6.88800000 +0 20.07399900 +0 -0.2688 C( 1649 LYS 108) -4.63100000 +0 7.55200000 +0 21.21900000 +0 -0.2779 C( 1650 LYS 108) -4.84200000 +0 6.81800000 +0 22.55100100 +0 -0.1214 N( 1651 LYS 108) -4.14400000 +0 5.49100000 +0 22.53400000 +0 -0.6444 H( 1652 LYS*108) -5.09379458 +1 5.80357076 +1 17.60380849 +1 0.1749 H( 1653 LYS 108) -4.19230272 +1 7.98175830 +1 18.62850192 +1 0.1656 H( 1654 LYS 108) -5.85200249 +1 8.58825874 +1 18.78225339 +1 0.1619 H( 1655 LYS 108) -6.47678280 +1 6.80175512 +1 20.33842101 +1 0.1479 H( 1656 LYS 108) -5.04394904 +1 5.84668834 +1 19.94347754 +1 0.1465 H( 1657 LYS 108) -4.94611245 +1 8.60606718 +1 21.32865254 +1 0.1384 H( 1658 LYS 108) -3.54914699 +1 7.57801950 +1 20.97351260 +1 0.1552 H( 1659 LYS 108) -4.40736311 +1 7.41506380 +1 23.38159067 +1 0.1342 H( 1660 LYS 108) -5.92723917 +1 6.70942161 +1 22.76611821 +1 0.1473 H( 1661 LYS 108) -4.25502681 +1 5.03314324 +1 23.43808832 +1 0.2589 H( 1662 LYS 108) -4.58481057 +1 4.87071683 +1 21.86293730 +1 0.2721 H( 1663 LYS*108) -5.14841475 +1 8.42784372 +1 16.29962290 +1 0.3545 N( 1664 ILE*109) -7.51700000 +0 5.23900000 +0 18.06300000 +0 -0.6303 C( 1665 ILE*109) -8.92200000 +0 4.80100000 +0 18.18400000 +0 0.0027 C( 1666 ILE*109) -9.11900000 +0 4.46300000 +0 19.67900100 +0 0.5999 O( 1667 ILE*109) -9.83100000 +0 5.14700000 +0 20.41300000 +0 -0.6328 C( 1668 ILE 109) -9.25400000 +0 3.58500000 +0 17.27500000 +0 -0.1129 C( 1669 ILE 109) -10.71000000 +0 3.17600000 +0 17.50900100 +0 -0.4576 C( 1670 ILE 109) -8.99400000 +0 3.92700000 +0 15.79500000 +0 -0.2658 C( 1671 ILE 109) -9.06100000 +0 2.68600000 +0 14.90800000 +0 -0.4402 H( 1672 ILE*109) -9.60446323 +1 5.66215933 +1 17.93110669 +1 0.1982 H( 1673 ILE 109) -8.58252797 +1 2.73266041 +1 17.55096405 +1 0.1516 H( 1674 ILE 109) -11.40359409 +1 3.99070753 +1 17.26792392 +1 0.1532 H( 1675 ILE 109) -10.89071308 +1 2.89078833 +1 18.55273975 +1 0.1518 H( 1676 ILE 109) -10.98867811 +1 2.32156649 +1 16.88187624 +1 0.1505 H( 1677 ILE 109) -7.99571018 +1 4.40325846 +1 15.68641586 +1 0.1598 H( 1678 ILE 109) -9.72098378 +1 4.68568095 +1 15.44801017 +1 0.1461 H( 1679 ILE 109) -8.30805971 +1 1.94361682 +1 15.19620647 +1 0.1406 H( 1680 ILE 109) -10.04247822 +1 2.20123524 +1 14.95667056 +1 0.1424 H( 1681 ILE 109) -8.88580541 +1 2.95262518 +1 13.85569147 +1 0.1447 H( 1682 ILE*109) -6.83483709 +1 4.48325482 +1 18.05040814 +1 0.3475 N( 1683 ARG*110) -8.45000000 +0 3.35200000 +0 20.17000000 +0 -0.5971 C( 1684 ARG*110) -8.39900000 +0 3.04700000 +0 21.61899900 +0 -0.0017 C( 1685 ARG*110) -7.14900000 +0 3.77100000 +0 22.16900100 +0 0.6409 O( 1686 ARG*110) -6.02000000 +0 3.30900000 +0 22.11200000 +0 -0.5772 O( 1687 ARG 110) -7.32000000 +0 4.98400000 +0 22.69300100 +0 -0.5906 C( 1688 ARG 110) -8.28600000 +0 1.53300000 +0 21.85400000 +0 -0.3043 C( 1689 ARG 110) -9.63900000 +0 0.86500000 +0 22.10000000 +0 -0.2872 C( 1690 ARG 110) -10.00100000 +0 0.77400000 +0 23.59000000 +0 -0.0813 N( 1691 ARG 110) -9.43000000 +0 -0.48100000 +0 24.14600000 +0 -0.6222 C( 1692 ARG 110) -10.04700000 +0 -1.18300000 +0 25.21999900 +0 0.5659 N( 1693 ARG 110) -9.54100000 +0 -2.27000000 +0 25.76300000 +0 -0.7537 N( 1694 ARG 110) -11.30400000 +0 -0.71700000 +0 25.68000000 +0 -0.6358 H( 1695 ARG 110) -8.27546917 +1 5.40357733 +1 22.63167711 +1 0.4130 H( 1696 ARG*110) -9.32386901 +1 3.44816805 +1 22.11485627 +1 0.1828 H( 1697 ARG 110) -7.60293133 +1 1.32225082 +1 22.70990475 +1 0.1831 H( 1698 ARG 110) -7.78869408 +1 1.04503000 +1 20.98879852 +1 0.1578 H( 1699 ARG 110) -10.44338424 +1 1.39637561 +1 21.55471028 +1 0.1530 H( 1700 ARG 110) -9.64115684 +1 -0.16116247 +1 21.66501120 +1 0.1623 H( 1701 ARG 110) -9.62984061 +1 1.65741242 +1 24.15209523 +1 0.1315 H( 1702 ARG 110) -11.10929750 +1 0.78264815 +1 23.69698139 +1 0.1757 H( 1703 ARG 110) -8.40719732 +1 -0.49387626 +1 24.14421376 +1 0.3294 H( 1704 ARG 110) -8.58998310 +1 -2.52713905 +1 25.56448627 +1 0.2849 H( 1705 ARG 110) -11.78634014 +1 -1.36299626 +1 26.29450182 +1 0.3072 H( 1706 ARG 110) -11.92154996 +1 -0.29433624 +1 24.99659383 +1 0.3160 H( 1707+ARG*110) -7.72909984 +1 2.90536404 +1 19.59549076 +1 0.3483 N( 1708 UNK*111) 0.24400000 +0 -0.61300000 +0 1.48100000 +0 -0.3510 C( 1709 UNK*111) 1.26600000 +0 -0.36400000 +0 0.54600000 +0 -0.2450 C( 1710 UNK*111) 2.07600000 +0 0.77200000 +0 0.29900000 +0 0.5819 O( 1711 UNK*111) 1.93100000 +0 1.87500000 +0 1.01700000 +0 -0.4924 C( 1712 UNK 111) 1.56000000 +0 -1.56300000 +0 -0.20800000 +0 0.3604 N( 1713 UNK 111) 0.68500000 +0 -2.53600000 +0 0.29200000 +0 -0.4242 C( 1714 UNK 111) 0.53200000 +0 -3.99400000 +0 0.07200000 +0 0.3314 O( 1715 UNK 111) 0.35600000 +0 -4.53000000 +0 1.41300000 +0 -0.4579 C( 1716 UNK 111) 1.43600000 +0 -5.43300000 +0 1.75300000 +0 0.0335 C( 1717 UNK 111) 2.02200000 +0 -5.88300000 +0 0.38800000 +0 0.1045 C( 1718 UNK 111) 1.71000000 +0 -4.72600000 +0 -0.56400000 +0 -0.3960 O( 1719 UNK 111) 1.19300000 +0 -7.01900000 +0 0.05800000 +0 -0.2907 P( 1720 UNK 111) 1.81400000 +0 -8.27100000 +0 -0.81500000 +0 0.3164 O( 1721 UNK 111) 2.84100000 +0 -7.58500000 +0 -1.90200000 +0 -0.2770 C( 1722 UNK 111) 2.21700000 +0 -7.04900000 +0 -3.10500000 +0 -0.0814 C( 1723 UNK 111) 3.30100000 +0 -6.93700000 +0 -4.17300000 +0 0.0246 C( 1724 UNK 111) 4.56400000 +0 -7.82200000 +0 -3.98700000 +0 0.1726 O( 1725 UNK 111) 4.69300000 +0 -8.78300000 +0 -5.01900000 +0 -0.6419 C( 1726 UNK 111) 5.75100000 +0 -6.83400000 +0 -4.00900000 +0 -0.4150 C( 1727 UNK 111) 5.14600000 +0 -5.43800000 +0 -3.85200000 +0 0.3169 O( 1728 UNK 111) 3.75400000 +0 -5.55300000 +0 -4.19500000 +0 -0.4579 N( 1729 UNK 111) 5.26700000 +0 -4.89000000 +0 -2.46700000 +0 -0.5346 C( 1730 UNK 111) 5.14300000 +0 -5.69100000 +0 -1.34000000 +0 0.2077 C( 1731 UNK 111) 5.35300000 +0 -5.17700000 +0 -0.08800000 +0 -0.4823 C( 1732 UNK 111) 5.69500000 +0 -3.77800000 +0 0.05100000 +0 0.5182 N( 1733 UNK 111) 5.73700000 +0 -2.94900000 +0 -1.04300000 +0 -0.6919 C( 1734 UNK 111) 5.50200000 +0 -3.43700000 +0 -2.30600000 +0 0.7392 O( 1735 UNK 111) 5.47000000 +0 -2.76600000 +0 -3.32700000 +0 -0.5573 N( 1736 UNK 111) 6.01000000 +0 -3.24100000 +0 1.26000000 +0 -0.5475 O( 1737 UNK 111) 2.50900000 +0 -9.27400000 +0 0.01400000 +0 -0.3255 O( 1738 UNK 111) 0.49300000 +0 -8.70500000 +0 -1.60600000 +0 -0.3621 C( 1739 UNK 111) 2.45200000 +0 -4.72300000 +0 2.65100000 +0 -0.0176 O( 1740 UNK 111) 2.44000000 +0 -5.32100000 +0 3.95800000 +0 -0.6510 N( 1741 UNK 111) 2.47400000 +0 -1.63400000 +0 -1.22300000 +0 -0.6243 C( 1742 UNK 111) 3.16500000 +0 -0.44300000 +0 -1.43400000 +0 0.5864 N( 1743 UNK 111) 4.01000000 +0 -0.37300000 +0 -2.51500000 +0 -0.5373 C( 1744 UNK 111) -0.08200000 +0 -1.89100000 +0 1.33000000 +0 0.1428 H( 1745 UNK 111) -0.45838805 +1 -4.17151997 +1 -0.41779311 +1 0.1841 H( 1746 UNK 111) 2.59269254 +1 -4.07189885 +1 -0.71251437 +1 0.1924 H( 1747 UNK 111) 1.44288937 +1 -5.08483805 +1 -1.58466101 +1 0.2175 H( 1748 UNK 111) 3.10952824 +1 -6.09807557 +1 0.45374668 +1 0.1484 H( 1749 UNK 111) 1.80870771 +1 -6.03345134 +1 -2.87262479 +1 0.1766 H( 1750 UNK 111) 1.38297856 +1 -7.66771363 +1 -3.50761407 +1 0.1667 H( 1751 UNK 111) 2.85770627 +1 -7.06420637 +1 -5.19195746 +1 0.1804 H( 1752 UNK 111) 4.54661574 +1 -8.45804724 +1 -3.07784390 +1 0.1591 H( 1753 UNK 111) 4.26999397 +1 -8.49706127 +1 -5.87116709 +1 0.3705 H( 1754 UNK 111) 5.52534483 +1 -4.66385429 +1 -4.56670134 +1 0.1843 H( 1755 UNK 111) 4.89994292 +1 -6.75022180 +1 -1.50374675 +1 0.1831 H( 1756 UNK 111) 5.82872165 +1 -3.74090713 +1 2.12398495 +1 0.3547 H( 1757 UNK 111) 6.23409108 +1 -2.25489784 +1 1.31960175 +1 0.3368 H( 1758 UNK 111) 5.30773370 +1 -5.80395448 +1 0.79473059 +1 0.1921 H( 1759 UNK 111) 6.50826289 +1 -7.07501470 +1 -3.24880867 +1 0.1652 H( 1760 UNK 111) 6.28323669 +1 -6.92196334 +1 -4.97803687 +1 0.1845 H( 1761 UNK 111) 0.31681255 +1 -9.75218499 +1 -1.50240840 +1 0.3823 H( 1762 UNK 111) 0.91247514 +1 -6.24705486 +1 2.29650275 +1 0.1565 H( 1763 UNK 111) 3.49328622 +1 -4.85957055 +1 2.30914477 +1 0.1493 H( 1764 UNK 111) 2.23514756 +1 -3.64179991 +1 2.74802013 +1 0.1626 H( 1765 UNK 111) 1.62927074 +1 -5.00289679 +1 4.45247854 +1 0.3809 H( 1766 UNK 111) 4.58807835 +1 0.44791138 +1 -2.60180664 +1 0.3200 H( 1767 UNK 111) 4.37433370 +1 -1.22971716 +1 -2.91653739 +1 0.3490 H( 1768 UNK 111) -0.81071452 +1 -2.45779652 +1 1.89963356 +1 0.2291 N( 1769 N ) 3.03500000 +0 0.72700000 +0 -0.67200000 +0 -0.6966 S( 1770 SO4 111) 7.14400000 +0 3.18600000 +0 0.14000000 +0 2.7185 O( 1771 SO4 111) 7.46500000 +0 1.99100000 +0 -0.59200000 +0 -0.9234 O( 1772 SO4 111) 5.84600000 +0 4.03600000 +0 -0.41700000 +0 -0.8686 O( 1773 SO4 111) 8.19800000 +0 4.35500000 +0 -0.39400000 +0 -0.8211 O( 1774 SO4 111) 7.14200000 +0 3.20600000 +0 1.58600000 +0 -0.9636 H( 1775 SO4 111) 5.02328256 +1 3.99606425 +1 0.14555905 +1 0.4332 H( 1776 SO4 111) 7.79136503 +1 5.13672671 +1 -0.80142698 +1 0.3923 O( 1777 HOH 112) -1.91900000 +0 -7.80800000 +0 9.01600000 +0 -0.7490 H( 1778 HOH 112) -2.59909822 +1 -7.90290888 +1 8.32787764 +1 0.3904 H( 1779 HOH 112) -1.31264960 +1 -7.15735072 +1 8.66577072 +1 0.3488 O( 1780 HOH 113) -1.15200000 +0 -9.20900000 +0 10.84700000 +0 -0.7632 H( 1781 HOH 113) -2.02733769 +1 -8.78999531 +1 10.78824734 +1 0.3854 H( 1782 HOH 113) -0.84962546 +1 -9.25575160 +1 9.93063523 +1 0.3722 O( 1783 HOH 114) -10.54100000 +0 -12.30400000 +0 2.28000000 +0 -0.7820 H( 1784 HOH 114) -10.61485508 +1 -11.83794238 +1 1.43952520 +1 0.3722 H( 1785 HOH 114) -9.60997001 +1 -12.66056453 +1 2.30108525 +1 0.3987 O( 1786 HOH 115) -4.26900000 +0 10.06500000 +0 16.36300100 +0 -0.7404 H( 1787 HOH 115) -4.64484546 +1 10.93151006 +1 16.48003203 +1 0.3532 H( 1788 HOH 115) -3.64695597 +1 9.91854155 +1 17.09957006 +1 0.3806 O( 1789 HOH 116) -2.49100000 +0 -21.15000000 +0 -4.22800000 +0 -0.7410 H( 1790 HOH 116) -3.04267465 +1 -21.79553064 +1 -3.76754524 +1 0.3691 H( 1791 HOH 116) -1.66051508 +1 -21.19368277 +1 -3.73369103 +1 0.3617 O( 1792 HOH 117) -0.26000000 +0 -11.03700000 +0 -1.94700000 +0 -0.7737 H( 1793 HOH 117) -1.17813283 +1 -10.94894530 +1 -2.26424244 +1 0.3962 H( 1794 HOH 117) 0.39370051 +1 -11.19834990 +1 -2.65535305 +1 0.3955 O( 1795 HOH 118) -9.91400000 +0 -6.96000000 +0 5.67600000 +0 -0.7750 H( 1796 HOH 118) -9.56877299 +1 -7.84151419 +1 5.43516136 +1 0.3836 H( 1797 HOH 118) -9.28039677 +1 -6.60506343 +1 6.31164234 +1 0.3735 O( 1798 HOH 119) -5.67100000 +0 -9.36300000 +0 4.37200000 +0 -0.7562 H( 1799 HOH 119) -6.58763110 +1 -9.17130433 +1 4.15343998 +1 0.3693 H( 1800 HOH 119) -5.11805056 +1 -8.68298861 +1 3.96474738 +1 0.3830 O( 1801 HOH 120) 2.56900000 +0 -14.50100000 +0 10.45400000 +0 -0.7222 H( 1802 HOH 120) 3.11074769 +1 -13.70881076 +1 10.51768913 +1 0.3640 H( 1803 HOH 120) 1.89985272 +1 -14.39750231 +1 11.13931617 +1 0.3566 O( 1804 HOH 121) -5.19800000 +0 -5.74300000 +0 2.61800000 +0 -0.7627 H( 1805 HOH 121) -5.36657850 +1 -4.86281175 +1 2.96926129 +1 0.3729 H( 1806 HOH 121) -4.52183523 +1 -6.15880765 +1 3.17547771 +1 0.3810 O( 1807 HOH 122) -13.56300000 +0 -10.19500000 +0 26.39399900 +0 -0.7630 H( 1808 HOH 122) -13.78948776 +1 -9.29484891 +1 26.13222595 +1 0.3642 H( 1809 HOH 122) -12.66666986 +1 -10.12018231 +1 26.75291172 +1 0.3815 O( 1810 HOH 123) -16.97100100 +0 -4.60400000 +0 16.15600000 +0 -0.7700 H( 1811 HOH 123) -16.09223668 +1 -4.96986441 +1 16.06263439 +1 0.3655 H( 1812 HOH 123) -17.37950640 +1 -4.98224702 +1 16.93534087 +1 0.3755 O( 1813 HOH 124) 0.21800000 +0 -12.26100000 +0 17.80900000 +0 -0.7435 H( 1814 HOH 124) 0.50705981 +1 -12.15028580 +1 16.90019466 +1 0.3503 H( 1815 HOH 124) -0.74698537 +1 -12.22246980 +1 17.73723147 +1 0.3693 O( 1816 HOH 125) -4.46400000 +0 -10.95200000 +0 17.99799900 +0 -0.7658 H( 1817 HOH 125) -4.93511911 +1 -10.61059604 +1 17.23782773 +1 0.3540 H( 1818 HOH 125) -5.12244576 +1 -11.35820307 +1 18.59038952 +1 0.3885 O( 1819 HOH 126) -1.77600000 +0 -6.81000000 +0 20.49500100 +0 -0.7513 H( 1820 HOH 126) -1.27895283 +1 -6.01989777 +1 20.26885526 +1 0.3606 H( 1821 HOH 126) -2.56218718 +1 -6.49111601 +1 20.96369371 +1 0.3740 O( 1822 HOH 127) -14.56000000 +0 1.16700000 +0 9.48200000 +0 -0.7535 H( 1823 HOH 127) -14.17564361 +1 2.04999811 +1 9.62446064 +1 0.3852 H( 1824 HOH 127) -15.51234678 +1 1.28089546 +1 9.53364528 +1 0.3736 O( 1825 HOH 128) 4.12100000 +0 -14.97400000 +0 5.89700000 +0 -0.7517 H( 1826 HOH 128) 4.34897469 +1 -15.22540324 +1 4.99257663 +1 0.3806 H( 1827 HOH 128) 4.79903533 +1 -15.36633022 +1 6.43634026 +1 0.3386 O( 1828 HOH 129) 2.86700000 +0 -9.09400000 +0 23.93300100 +0 -0.7457 H( 1829 HOH 129) 2.09503903 +1 -9.33424910 +1 24.44816088 +1 0.3510 H( 1830 HOH 129) 2.69856083 +1 -9.50354026 +1 23.05462140 +1 0.3922 O( 1831 HOH 130) -2.20600000 +0 9.47000000 +0 17.96299900 +0 -0.7759 H( 1832 HOH 130) -1.91272566 +1 9.38540993 +1 16.99647152 +1 0.4083 H( 1833 HOH 130) -1.75461006 +1 10.24728480 +1 18.28902315 +1 0.3516 O( 1834 HOH 131) -12.92400000 +0 0.43600000 +0 7.52700000 +0 -0.7920 H( 1835 HOH 131) -13.72291210 +1 0.72534284 +1 7.97077260 +1 0.3817 H( 1836 HOH 131) -13.08888023 +1 -0.26497290 +1 6.88190593 +1 0.3849 O( 1837 HOH 132) 3.26700000 +0 -12.11300000 +0 14.41000000 +0 -0.7505 H( 1838 HOH 132) 3.65316456 +1 -12.78787529 +1 14.95924625 +1 0.3511 H( 1839 HOH 132) 2.31729518 +1 -12.07863166 +1 14.64393369 +1 0.3837 O( 1840 HOH 133) -6.20500000 +0 -12.32900000 +0 19.45599900 +0 -0.7730 H( 1841 HOH 133) -5.91522551 +1 -13.23160381 +1 19.34733352 +1 0.3461 H( 1842 HOH 133) -6.13130641 +1 -12.17015959 +1 20.44863583 +1 0.4052 O( 1843 HOH 134) -10.95900000 +0 -10.48900000 +0 4.14900000 +0 -0.7582 H( 1844 HOH 134) -11.44843345 +1 -9.80414920 +1 3.68533127 +1 0.3697 H( 1845 HOH 134) -10.78928211 +1 -11.20030425 +1 3.48431888 +1 0.3965 O( 1846 HOH 135) -0.45900000 +0 -5.37500000 +0 -2.79600000 +0 -0.7674 H( 1847 HOH 135) 0.22938798 +1 -4.76595460 +1 -3.09083785 +1 0.3803 H( 1848 HOH 135) -1.09371460 +1 -4.86116776 +1 -2.29065092 +1 0.3654 O( 1849 HOH 136) 6.08300000 +0 -4.04200000 +0 19.62599900 +0 -0.7403 H( 1850 HOH 136) 5.89330528 +1 -3.43812024 +1 20.36883933 +1 0.3870 H( 1851 HOH 136) 5.97233845 +1 -3.56238483 +1 18.79727970 +1 0.3707 O( 1852 HOH 137) -2.79000000 +0 -11.15100000 +0 -2.28900000 +0 -0.7745 H( 1853 HOH 137) -3.26474609 +1 -11.27364771 +1 -3.13800220 +1 0.4000 H( 1854 HOH 137) -3.27495459 +1 -10.45073795 +1 -1.83645031 +1 0.3797 O( 1855 HOH 138) -3.35100000 +0 6.37700000 +0 6.43600000 +0 -0.7838 H( 1856 HOH 138) -2.81712176 +1 6.96663952 +1 5.88240223 +1 0.3934 H( 1857 HOH 138) -3.11133027 +1 6.62907540 +1 7.34785776 +1 0.3965 O( 1858 HOH 139) -9.39500000 +0 0.95200000 +0 1.64200000 +0 -0.7281 H( 1859 HOH 139) -9.93774370 +1 0.18762056 +1 1.36027134 +1 0.3851 H( 1860 HOH 139) -8.52576444 +1 0.76227331 +1 1.22128782 +1 0.3728 O( 1861 HOH 140) -13.52000000 +0 -14.33600000 +0 16.52800000 +0 -0.7561 H( 1862 HOH 140) -12.69356439 +1 -14.00932635 +1 16.92406223 +1 0.3772 H( 1863 HOH 140) -13.42684276 +1 -15.30513087 +1 16.50681143 +1 0.3824 O( 1864 HOH 141) 0.63900000 +0 9.32400000 +0 11.47100000 +0 -0.7468 H( 1865 HOH 141) 1.02950894 +1 9.20523944 +1 12.35735894 +1 0.3860 H( 1866 HOH 141) 1.25956579 +1 8.90801666 +1 10.86311274 +1 0.3588 O( 1867 HOH 142) -5.35900000 +0 -12.98300000 +0 12.93900000 +0 -0.7226 H( 1868 HOH 142) -4.60674862 +1 -13.55883353 +1 12.76625275 +1 0.3654 H( 1869 HOH 142) -5.99745173 +1 -13.52884828 +1 13.40121076 +1 0.3510 O( 1870 HOH 143) -11.50100000 +0 -11.10100000 +0 6.81200000 +0 -0.7274 H( 1871 HOH 143) -11.60595526 +1 -11.06998136 +1 5.84505242 +1 0.3964 H( 1872 HOH 143) -11.16023231 +1 -11.98681903 +1 7.01799938 +1 0.3856 O( 1873 HOH 144) 3.18800000 +0 -8.46100000 +0 -7.00500000 +0 -0.6991 H( 1874 HOH 144) 2.81536028 +1 -9.36463552 +1 -6.96537485 +1 0.3809 H( 1875 HOH 144) 3.45608099 +1 -8.33918771 +1 -7.91635363 +1 0.3491 O( 1876 HOH 145) -6.21500000 +0 6.28200000 +0 8.04800000 +0 -0.7527 H( 1877 HOH 145) -6.36678184 +1 6.43035259 +1 7.09905384 +1 0.3848 H( 1878 HOH 145) -6.80730506 +1 5.59727622 +1 8.34218587 +1 0.3487 O( 1879 HOH 146) -18.49000000 +0 -4.68100000 +0 20.86300100 +0 -0.7863 H( 1880 HOH 146) -18.68217124 +1 -3.74086883 +1 20.82571884 +1 0.3778 H( 1881 HOH 146) -17.77776629 +1 -4.78691831 +1 21.53106910 +1 0.3942 O( 1882 HOH 147) -5.73200000 +0 1.90500000 +0 1.84800000 +0 -0.7775 H( 1883 HOH 147) -4.87067428 +1 2.03341910 +1 1.43334873 +1 0.3748 H( 1884 HOH 147) -5.66925374 +1 2.37126340 +1 2.69811465 +1 0.3955 O( 1885 HOH 148) -15.86100000 +0 -10.71000000 +0 25.59400000 +0 -0.7228 H( 1886 HOH 148) -15.68354746 +1 -9.76954905 +1 25.66028567 +1 0.3479 H( 1887 HOH 148) -15.14662299 +1 -11.12517938 +1 26.09495282 +1 0.3673 O( 1888 HOH 149) 1.67900000 +0 -3.79700000 +0 -3.38100000 +0 -0.7502 H( 1889 HOH 149) 2.46529485 +1 -4.18772335 +1 -3.76869736 +1 0.3731 H( 1890 HOH 149) 1.97414354 +1 -3.05759845 +1 -2.83469586 +1 0.3786 O( 1891 HOH 150) 5.42300000 +0 0.01400000 +0 21.81500100 +0 -0.8106 H( 1892 HOH 150) 6.28648260 +1 0.00029571 +1 21.34102224 +1 0.3957 H( 1893 HOH 150) 5.20410655 +1 -0.92680492 +1 21.93478943 +1 0.3858 O( 1894 HOH 151) -2.28100000 +0 -11.73600000 +0 17.21699900 +0 -0.7287 H( 1895 HOH 151) -2.32998807 +1 -10.85840024 +1 17.65147755 +1 0.3591 H( 1896 HOH 151) -3.13931995 +1 -12.12146897 +1 17.46206055 +1 0.3741 O( 1897 HOH 152) 6.56000000 +0 -0.38000000 +0 0.23600000 +0 -0.7557 H( 1898 HOH 152) 7.21228920 +1 0.22025215 +1 -0.17003534 +1 0.3940 H( 1899 HOH 152) 6.28684770 +1 -1.00399445 +1 -0.45572425 +1 0.3830 O( 1900 HOH 153) -4.01000000 +0 -5.64700000 +0 21.65600000 +0 -0.7424 H( 1901 HOH 153) -3.46369232 +1 -5.05280716 +1 22.19851037 +1 0.3797 H( 1902 HOH 153) -4.56093321 +1 -6.13380333 +1 22.27736176 +1 0.3622 O( 1903 HOH 154) 3.96500000 +0 -20.73500100 +0 7.19700000 +0 -0.6733 H( 1904 HOH 154) 3.50871237 +1 -20.51668338 +1 6.37176940 +1 0.3547 H( 1905 HOH 154) 3.24010572 +1 -20.88215510 +1 7.81280599 +1 0.3355 O( 1906 HOH 155) -10.70300000 +0 -3.33100000 +0 -0.48400000 +0 -0.6984 H( 1907 HOH 155) -11.46783500 +1 -3.79973649 +1 -0.12867343 +1 0.3584 H( 1908 HOH 155) -9.95878666 +1 -3.67891405 +1 0.02024542 +1 0.3495 O( 1909 HOH 156) -6.01400000 +0 -12.01600000 +0 22.04800000 +0 -0.7429 H( 1910 HOH 156) -6.60098560 +1 -11.28517851 +1 22.33676270 +1 0.3779 H( 1911 HOH 156) -6.43208941 +1 -12.75067127 +1 22.53902020 +1 0.3741 O( 1912 HOH 157) 6.43700000 +0 -5.53600000 +0 11.71000000 +0 -0.7649 H( 1913 HOH 157) 6.24804709 +1 -5.97737887 +1 10.86715842 +1 0.3812 H( 1914 HOH 157) 5.97083749 +1 -6.11508888 +1 12.34575246 +1 0.3789 O( 1915 HOH 158) -1.46800000 +0 6.01300000 +0 22.22200000 +0 -0.7804 H( 1916 HOH 158) -1.47480187 +1 6.60130726 +1 21.46540228 +1 0.3577 H( 1917 HOH 158) -2.43363939 +1 5.75527227 +1 22.33436542 +1 0.3973 O( 1918 HOH 159) 9.16200000 +0 9.17200000 +0 14.66500000 +0 -0.7254 H( 1919 HOH 159) 8.30295735 +1 9.07243879 +1 14.24940752 +1 0.3535 H( 1920 HOH 159) 9.04258368 +1 8.76743561 +1 15.53467790 +1 0.3696 O( 1921 HOH 160) -0.63400000 +0 6.23800000 +0 24.51700000 +0 -0.7467 H( 1922 HOH 160) -1.07221861 +1 5.38691110 +1 24.60346970 +1 0.3402 H( 1923 HOH 160) -0.86693405 +1 6.50473731 +1 23.59961923 +1 0.3838 O( 1924 HOH 161) -11.70500000 +0 -18.92799900 +0 11.83900000 +0 -0.7542 H( 1925 HOH 161) -11.52881930 +1 -18.00142337 +1 11.61482943 +1 0.3689 H( 1926 HOH 161) -11.23467907 +1 -19.42194898 +1 11.15593048 +1 0.3722 O( 1927 HOH 162) 5.20600000 +0 -4.34700000 +0 3.81300000 +0 -0.7413 H( 1928 HOH 162) 4.53013731 +1 -4.98619379 +1 4.05534897 +1 0.3578 H( 1929 HOH 162) 4.77946323 +1 -3.49268097 +1 4.01706443 +1 0.3765 O( 1930 HOH 163) -19.77100000 +0 -6.47200000 +0 19.75900100 +0 -0.7422 H( 1931 HOH 163) -20.71116104 +1 -6.42184462 +1 19.52344466 +1 0.3839 H( 1932 HOH 163) -19.66721876 +1 -5.84201736 +1 20.51911321 +1 0.4037 O( 1933 HOH 164) -10.15300000 +0 -1.29500000 +0 0.80800000 +0 -0.7691 H( 1934 HOH 164) -10.42595406 +1 -1.45753049 +1 -0.10950064 +1 0.3890 H( 1935 HOH 164) -10.50795600 +1 -2.06493281 +1 1.29447087 +1 0.3901 O( 1936 HOH 165) 3.76300000 +0 3.61800000 +0 1.32600000 +0 -0.7449 H( 1937 HOH 165) 4.35022101 +1 3.25655602 +1 2.05030965 +1 0.3980 H( 1938 HOH 165) 3.29236971 +1 4.33614748 +1 1.80559801 +1 0.3908 O( 1939 HOH 166) 8.26000000 +0 -4.34400000 +0 12.73500000 +0 -0.7459 H( 1940 HOH 166) 7.72688383 +1 -3.79708789 +1 12.14494035 +1 0.3637 H( 1941 HOH 166) 8.09790658 +1 -5.24843381 +1 12.40350175 +1 0.3862 O( 1942 HOH 167) -5.09700000 +0 -15.50400000 +0 12.98100000 +0 -0.7632 H( 1943 HOH 167) -5.99527025 +1 -15.39713069 +1 12.59585507 +1 0.3874 H( 1944 HOH 167) -5.07023728 +1 -16.34823432 +1 13.41478236 +1 0.3512 O( 1945 HOH 168) -11.35900000 +0 -3.91900000 +0 27.28400000 +0 -0.7408 H( 1946 HOH 168) -10.61795617 +1 -3.36576858 +1 26.95702522 +1 0.3838 H( 1947 HOH 168) -11.94909249 +1 -3.98576665 +1 26.52399628 +1 0.3608 O( 1948 HOH 169) 1.53600000 +0 -17.97600000 +0 11.07100000 +0 -0.6943 H( 1949 HOH 169) 1.65275093 +1 -17.11073521 +1 10.65749128 +1 0.3517 H( 1950 HOH 169) 1.53120604 +1 -17.78255326 +1 12.01262057 +1 0.3449 O( 1951 HOH 170) -2.41700000 +0 -1.19700000 +0 -1.18500000 +0 -0.7127 H( 1952 HOH 170) -1.91188113 +1 -0.83724356 +1 -1.91266296 +1 0.3445 H( 1953 HOH 170) -2.13233497 +1 -2.12050024 +1 -1.11148144 +1 0.3660 O( 1954 HOH 171) 1.99800000 +0 5.71300000 +0 24.48100100 +0 -0.7723 H( 1955 HOH 171) 1.05803939 +1 5.98734885 +1 24.41776772 +1 0.3812 H( 1956 HOH 171) 2.14924752 +1 5.66161745 +1 25.43484238 +1 0.3734 O( 1957 HOH 172) -7.01800000 +0 0.21500000 +0 0.74100000 +0 -0.7160 H( 1958 HOH 172) -6.73894986 +1 1.00718234 +1 0.25485667 +1 0.3644 H( 1959 HOH 172) -6.63163069 +1 0.35088954 +1 1.63137912 +1 0.3734 O( 1960 HOH 173) 1.46100000 +0 5.14000000 +0 26.86200000 +0 -0.7862 H( 1961 HOH 173) 0.75674105 +1 5.69749992 +1 27.16932617 +1 0.3592 H( 1962 HOH 173) 2.01268510 +1 4.86608216 +1 27.65646549 +1 0.4089 O( 1963 HOH 174) 1.29300000 +0 -5.29500000 +0 28.39900000 +0 -0.7196 H( 1964 HOH 174) 0.34789992 +1 -5.34350372 +1 28.18586448 +1 0.3771 H( 1965 HOH 174) 1.35449977 +1 -5.27012576 +1 29.34664134 +1 0.3422 O( 1966 HOH 175) 2.32300000 +0 1.06500000 +0 28.84700000 +0 -0.7377 H( 1967 HOH 175) 1.45809168 +1 0.80747272 +1 29.19650075 +1 0.3656 H( 1968 HOH 175) 2.28465197 +1 0.70300955 +1 27.94691272 +1 0.3653 O( 1969 HOH 176) -21.29500000 +0 -8.47800000 +0 22.50900100 +0 -0.6864 H( 1970 HOH 176) -21.22239003 +1 -9.19512416 +1 21.86400933 +1 0.3552 H( 1971 HOH 176) -20.37957227 +1 -8.35149739 +1 22.80844481 +1 0.3597 O( 1972 HOH 177) -21.73800100 +0 -6.28100000 +0 21.09300000 +0 -0.7618 H( 1973 HOH 177) -21.59394114 +1 -7.10099540 +1 21.61039033 +1 0.3872 H( 1974 HOH 177) -22.29888452 +1 -5.72548452 +1 21.61699255 +1 0.3474 O( 1975 HOH 178) -6.35700000 +0 -12.85400000 +0 -3.58100000 +0 -0.7769 H( 1976 HOH 178) -5.72516079 +1 -12.62895528 +1 -4.30280848 +1 0.4032 H( 1977 HOH 178) -6.71801283 +1 -13.70887257 +1 -3.79357663 +1 0.3536 O( 1978 HOH 179) 2.62400000 +0 -20.75099900 +0 -0.24100000 +0 -0.7168 H( 1979 HOH 179) 2.41908900 +1 -21.06017173 +1 0.64873775 +1 0.3586 H( 1980 HOH 179) 2.40987732 +1 -19.81623143 +1 -0.21212240 +1 0.3425 O( 1981 HOH 180) 7.04700000 +0 0.77700000 +0 29.52100000 +0 -0.7345 H( 1982 HOH 180) 7.36580892 +1 -0.13788191 +1 29.47039987 +1 0.3731 H( 1983 HOH 180) 6.13980170 +1 0.71766590 +1 29.81793388 +1 0.3502 O( 1984 HOH 181) 5.39100000 +0 2.63000000 +0 3.16300000 +0 -0.7664 H( 1985 HOH 181) 6.14353959 +1 3.22460527 +1 3.32628767 +1 0.3955 H( 1986 HOH 181) 5.64221261 +1 2.13247645 +1 2.35744120 +1 0.3984 O( 1987 HOH 182) -9.54500000 +0 2.28700000 +0 3.63200000 +0 -0.7473 H( 1988 HOH 182) -9.66971493 +1 2.63401908 +1 2.74823057 +1 0.3637 H( 1989 HOH 182) -8.60744616 +1 2.37884599 +1 3.86185739 +1 0.3732 O( 1990 HOH 183) -17.86899900 +0 -5.08400000 +0 18.56100100 +0 -0.7314 H( 1991 HOH 183) -18.66102297 +1 -5.58412216 +1 18.91027170 +1 0.4100 H( 1992 HOH 183) -17.17799209 +1 -5.26565013 +1 19.22943549 +1 0.3799 O( 1993 HOH 184) 1.72200000 +0 7.91800000 +0 13.20200000 +0 -0.7661 H( 1994 HOH 184) 2.26629971 +1 7.79514573 +1 13.99145579 +1 0.3870 H( 1995 HOH 184) 2.24617310 +1 7.50856495 +1 12.48904297 +1 0.3733 O( 1996 HOH 185) -16.19300100 +0 1.32500000 +0 15.83700000 +0 -0.7259 H( 1997 HOH 185) -16.44508193 +1 1.47614318 +1 16.74311838 +1 0.3462 H( 1998 HOH 185) -15.80561644 +1 0.44391728 +1 15.81117536 +1 0.3605 O( 1999 HOH 186) 5.27300000 +0 -7.58700000 +0 10.77000000 +0 -0.7252 H( 2000 HOH 186) 4.61850929 +1 -7.91128014 +1 10.15053723 +1 0.3570 H( 2001 HOH 186) 4.99458542 +1 -7.86674127 +1 11.64862553 +1 0.3703 O( 2002 HOH 187) -5.53100000 +0 -12.48300000 +0 -5.95300000 +0 -0.7256 H( 2003 HOH 187) -6.01939136 +1 -13.28129108 +1 -6.16478085 +1 0.3476 H( 2004 HOH 187) -4.64896881 +1 -12.63070702 +1 -6.33984186 +1 0.3843 O( 2005 HOH 188) -1.90100000 +0 9.68200000 +0 15.51600000 +0 -0.7351 H( 2006 HOH 188) -2.80935249 +1 9.69418213 +1 15.15963209 +1 0.3968 H( 2007 HOH 188) -1.39242560 +1 9.16131427 +1 14.87698498 +1 0.3857 O( 2008 HOH 189) -5.00400000 +0 6.31900000 +0 10.14100000 +0 -0.7653 H( 2009 HOH 189) -5.32194844 +1 6.76603353 +1 9.34569091 +1 0.3713 H( 2010 HOH 189) -4.04352085 +1 6.35791898 +1 10.06334902 +1 0.3713 O( 2011 HOH 190) 13.32700000 +0 7.28700000 +0 13.70700000 +0 -0.7070 H( 2012 HOH 190) 12.94527612 +1 8.17950097 +1 13.67261475 +1 0.3633 H( 2013 HOH 190) 12.81286559 +1 6.85887880 +1 14.40373122 +1 0.3497 O( 2014 HOH 191) -16.66500100 +0 -0.31800000 +0 10.07500000 +0 -0.7420 H( 2015 HOH 191) -17.03158787 +1 -0.80113124 +1 9.32039939 +1 0.3837 H( 2016 HOH 191) -16.16187953 +1 -0.98609428 +1 10.55175475 +1 0.3703 O( 2017 HOH 192) 11.62900000 +0 6.72900000 +0 11.74600000 +0 -0.7478 H( 2018 HOH 192) 11.16147451 +1 7.53342001 +1 11.98911575 +1 0.3519 H( 2019 HOH 192) 12.41656908 +1 6.78084823 +1 12.32031534 +1 0.3671 O( 2020 HOH 193) 3.32400000 +0 6.92300000 +0 11.20900000 +0 -0.7208 H( 2021 HOH 193) 2.98759558 +1 6.19330483 +1 10.66666983 +1 0.3684 H( 2022 HOH 193) 3.33644652 +1 7.65959518 +1 10.58583969 +1 0.3610 O( 2023 HOH 194) 5.31800000 +0 5.39800000 +0 7.44400000 +0 -0.7514 H( 2024 HOH 194) 4.69086989 +1 5.34445146 +1 8.17656992 +1 0.3559 H( 2025 HOH 194) 6.09412877 +1 4.91551930 +1 7.79709322 +1 0.3832 O( 2026 HOH 195) 2.86800000 +0 -4.19900000 +0 26.43400000 +0 -0.7506 H( 2027 HOH 195) 3.78254582 +1 -4.34270049 +1 26.68388492 +1 0.3610 H( 2028 HOH 195) 2.33111680 +1 -4.46967584 +1 27.18246370 +1 0.3720 O( 2029 HOH 196) -2.54800000 +0 -22.89900000 +0 -2.49500000 +0 -0.7540 H( 2030 HOH 196) -2.67385954 +1 -22.69454433 +1 -1.53959816 +1 0.3937 H( 2031 HOH 196) -2.73998715 +1 -23.82625276 +1 -2.58838951 +1 0.3470 O( 2032 HOH 197) 11.23600000 +0 8.59900000 +0 13.49600000 +0 -0.7314 H( 2033 HOH 197) 10.72688532 +1 8.02924416 +1 14.09672144 +1 0.3768 H( 2034 HOH 197) 10.81162449 +1 9.46016826 +1 13.58997960 +1 0.3671 O( 2035 HOH 198) 8.60100000 +0 -4.19600000 +0 19.15000000 +0 -0.7390 H( 2036 HOH 198) 8.73258837 +1 -3.24808563 +1 19.17267075 +1 0.3431 H( 2037 HOH 198) 7.69999706 +1 -4.31858787 +1 19.49053575 +1 0.3715 O( 2038 HOH 199) 6.33800000 +0 6.66300000 +0 19.83799900 +0 -0.7445 H( 2039 HOH 199) 5.83437004 +1 6.24763113 +1 19.11904214 +1 0.3758 H( 2040 HOH 199) 6.89128659 +1 7.32606831 +1 19.44285576 +1 0.3501 O( 2041 HOH 200) 5.32500000 +0 1.89300000 +0 0.57000000 +0 -0.8126 H( 2042 HOH 200) 4.54404612 +1 1.87312122 +1 -0.02235444 +1 0.3976 H( 2043 HOH 200) 5.65805317 +1 0.94739822 +1 0.51147586 +1 0.4068 O( 2044 HOH 201) -3.56800000 +0 -13.22800000 +0 -7.49500000 +0 -0.7107 H( 2045 HOH 201) -3.67509880 +1 -12.77874242 +1 -8.33214383 +1 0.3453 H( 2046 HOH 201) -2.60863904 +1 -13.20623427 +1 -7.32944774 +1 0.3773 O( 2047 HOH 202) -7.79100000 +0 -13.00800000 +0 23.72400100 +0 -0.6998 H( 2048 HOH 202) -7.45318075 +1 -12.40479273 +1 24.39909192 +1 0.3533 H( 2049 HOH 202) -8.66409771 +1 -12.63739404 +1 23.51686735 +1 0.3591 O( 2050 HOH 203) -8.07400000 +0 -13.17800000 +0 2.21800000 +0 -0.7453 H( 2051 HOH 203) -8.24653384 +1 -14.13046135 +1 2.32175595 +1 0.3885 H( 2052 HOH 203) -7.60791558 +1 -12.90394155 +1 3.01876645 +1 0.3758 O( 2053 HOH 204) -13.16700000 +0 3.47800000 +0 10.44100000 +0 -0.7454 H( 2054 HOH 204) -12.53037981 +1 4.18137770 +1 10.28825377 +1 0.3733 H( 2055 HOH 204) -13.80736300 +1 3.79515337 +1 11.08313709 +1 0.3740 O( 2056 HOH 205) -9.59000000 +0 6.16300000 +0 22.55100100 +0 -0.6603 H( 2057 HOH 205) -10.30646123 +1 5.53512844 +1 22.34389945 +1 0.3651 H( 2058 HOH 205) -9.49482166 +1 6.66523834 +1 21.71931542 +1 0.3665 O( 2059 HOH 206) -16.29999900 +0 -5.34000000 +0 8.42100000 +0 -0.7583 H( 2060 HOH 206) -16.83613664 +1 -6.11133936 +1 8.65567100 +1 0.3801 H( 2061 HOH 206) -15.92651922 +1 -5.57459105 +1 7.55621199 +1 0.3788 O( 2062 HOH 207) 3.97400000 +0 -6.98100000 +0 24.77400000 +0 -0.7280 H( 2063 HOH 207) 4.29301703 +1 -7.81107013 +1 24.38077440 +1 0.3936 H( 2064 HOH 207) 4.05036874 +1 -7.06308763 +1 25.71846703 +1 0.3494 H( 2065 UNK*111) 2.73021940 +1 2.55768997 +1 0.98593101 +1 0.4096 H( 2066 ARG 69) 0.87845462 +1 1.75710974 +1 26.67877683 +1 0.3870