HEADER CHROMOSOMAL PROTEIN 02-JAN-87 1UBQ TITLE STRUCTURE OF UBIQUITIN REFINED AT 1.8 ANGSTROMS RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: UBIQUITIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS CHROMOSOMAL PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR S.VIJAY-KUMAR,C.E.BUGG,W.J.COOK REVDAT 5 09-MAR-11 1UBQ 1 REMARK REVDAT 4 24-FEB-09 1UBQ 1 VERSN REVDAT 3 01-APR-03 1UBQ 1 JRNL REVDAT 2 16-JUL-87 1UBQ 1 JRNL REMARK REVDAT 1 16-APR-87 1UBQ 0 JRNL AUTH S.VIJAY-KUMAR,C.E.BUGG,W.J.COOK JRNL TITL STRUCTURE OF UBIQUITIN REFINED AT 1.8 A RESOLUTION. JRNL REF J.MOL.BIOL. V. 194 531 1987 JRNL REFN ISSN 0022-2836 JRNL PMID 3041007 JRNL DOI 10.1016/0022-2836(87)90679-6 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.VIJAY-KUMAR,C.E.BUGG,K.D.WILKINSON,R.D.VIERSTRA, REMARK 1 AUTH 2 P.M.HATFIELD,W.J.COOK REMARK 1 TITL COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF HUMAN, REMARK 1 TITL 2 YEAST, AND OAT UBIQUITIN REMARK 1 REF J.BIOL.CHEM. V. 262 6396 1987 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.VIJAY-KUMAR,C.E.BUGG,K.D.WILKINSON,W.J.COOK REMARK 1 TITL THREE-DIMENSIONAL STRUCTURE OF UBIQUITIN AT 2.8 ANGSTROMS REMARK 1 TITL 2 RESOLUTION REMARK 1 REF PROC.NATL.ACAD.SCI.USA V. 82 3582 1985 REMARK 1 REFN ISSN 0027-8424 REMARK 1 REFERENCE 3 REMARK 1 AUTH W.J.COOK,F.L.SUDDATH,C.E.BUGG,G.GOLDSTEIN REMARK 1 TITL CRYSTALLIZATION AND PRELIMINARY X-RAY INVESTIGATION OF REMARK 1 TITL 2 UBIQUITIN, A NON-HISTONE CHROMOSOMAL PROTEIN REMARK 1 REF J.MOL.BIOL. V. 130 353 1979 REMARK 1 REFN ISSN 0022-2836 REMARK 1 REFERENCE 4 REMARK 1 AUTH D.H.SCHLESINGER,G.GOLDSTEIN REMARK 1 TITL MOLECULAR CONSERVATION OF 74 AMINO ACID SEQUENCE OF REMARK 1 TITL 2 UBIQUITIN BETWEEN CATTLE AND MAN REMARK 1 REF NATURE V. 255 423 1975 REMARK 1 REFN ISSN 0028-0836 REMARK 2 REMARK 2 RESOLUTION. 1.80 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) : 1.80 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) : 0.176 REMARK 3 R VALUE (WORKING SET) : NULL 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 : 602 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 58 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) : 0.016 ; 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 1UBQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. 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 (%): 32.94 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.83 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: NULL REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 REMARK 290 4555 X+1/2,-Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.42000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 14.47500 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 21.38500 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 14.47500 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.42000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 21.38500 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 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 OE2 GLU A 16 NH1 ARG A 72 1554 2.02 REMARK 500 NZ LYS A 48 OXT GLY A 76 4467 2.16 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU A 15 CA - CB - CG ANGL. DEV. = 14.0 DEGREES REMARK 500 ARG A 54 CD - NE - CZ ANGL. DEV. = 12.4 DEGREES REMARK 500 ARG A 54 NE - CZ - NH1 ANGL. DEV. = 5.5 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 93 DISTANCE = 5.65 ANGSTROMS REMARK 525 HOH A 114 DISTANCE = 5.45 ANGSTROMS REMARK 525 HOH A 126 DISTANCE = 5.71 ANGSTROMS DBREF 1UBQ A 1 76 UNP P62988 UBIQ_HUMAN 1 76 SEQRES 1 A 76 MET GLN ILE PHE VAL LYS THR LEU THR GLY LYS THR ILE SEQRES 2 A 76 THR LEU GLU VAL GLU PRO SER ASP THR ILE GLU ASN VAL SEQRES 3 A 76 LYS ALA LYS ILE GLN ASP LYS GLU GLY ILE PRO PRO ASP SEQRES 4 A 76 GLN GLN ARG LEU ILE PHE ALA GLY LYS GLN LEU GLU ASP SEQRES 5 A 76 GLY ARG THR LEU SER ASP TYR ASN ILE GLN LYS GLU SER SEQRES 6 A 76 THR LEU HIS LEU VAL LEU ARG LEU ARG GLY GLY FORMUL 2 HOH *58(H2 O) HELIX 1 H1 ILE A 23 GLU A 34 1 12 HELIX 2 H2 LEU A 56 TYR A 59 5 4 SHEET 1 BET 5 GLY A 10 VAL A 17 0 SHEET 2 BET 5 MET A 1 THR A 7 -1 SHEET 3 BET 5 GLU A 64 ARG A 72 1 SHEET 4 BET 5 GLN A 40 PHE A 45 -1 SHEET 5 BET 5 LYS A 48 LEU A 50 -1 CRYST1 50.840 42.770 28.950 90.00 90.00 90.00 P 21 21 21 4 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 0.019670 0.000000 0.000000 0.00000 SCALE2 0.000000 0.023381 0.000000 0.00000 SCALE3 0.000000 0.000000 0.034542 0.00000 ATOM 1 N MET A 1 27.340 24.430 2.614 1.00 9.67 N ATOM 2 CA MET A 1 26.266 25.413 2.842 1.00 10.38 C ATOM 3 C MET A 1 26.913 26.639 3.531 1.00 9.62 C ATOM 4 O MET A 1 27.886 26.463 4.263 1.00 9.62 O ATOM 5 CB MET A 1 25.112 24.880 3.649 1.00 13.77 C ATOM 6 CG MET A 1 25.353 24.860 5.134 1.00 16.29 C ATOM 7 SD MET A 1 23.930 23.959 5.904 1.00 17.17 S ATOM 8 CE MET A 1 24.447 23.984 7.620 1.00 16.11 C ATOM 9 N GLN A 2 26.335 27.770 3.258 1.00 9.27 N ATOM 10 CA GLN A 2 26.850 29.021 3.898 1.00 9.07 C ATOM 11 C GLN A 2 26.100 29.253 5.202 1.00 8.72 C ATOM 12 O GLN A 2 24.865 29.024 5.330 1.00 8.22 O ATOM 13 CB GLN A 2 26.733 30.148 2.905 1.00 14.46 C ATOM 14 CG GLN A 2 26.882 31.546 3.409 1.00 17.01 C ATOM 15 CD GLN A 2 26.786 32.562 2.270 1.00 20.10 C ATOM 16 OE1 GLN A 2 27.783 33.160 1.870 1.00 21.89 O ATOM 17 NE2 GLN A 2 25.562 32.733 1.806 1.00 19.49 N ATOM 18 N ILE A 3 26.849 29.656 6.217 1.00 5.87 N ATOM 19 CA ILE A 3 26.235 30.058 7.497 1.00 5.07 C ATOM 20 C ILE A 3 26.882 31.428 7.862 1.00 4.01 C ATOM 21 O ILE A 3 27.906 31.711 7.264 1.00 4.61 O ATOM 22 CB ILE A 3 26.344 29.050 8.645 1.00 6.55 C ATOM 23 CG1 ILE A 3 27.810 28.748 8.999 1.00 4.72 C ATOM 24 CG2 ILE A 3 25.491 27.771 8.287 1.00 5.58 C ATOM 25 CD1 ILE A 3 27.967 28.087 10.417 1.00 10.83 C ATOM 26 N PHE A 4 26.214 32.097 8.771 1.00 4.55 N ATOM 27 CA PHE A 4 26.772 33.436 9.197 1.00 4.68 C ATOM 28 C PHE A 4 27.151 33.362 10.650 1.00 5.30 C ATOM 29 O PHE A 4 26.350 32.778 11.395 1.00 5.58 O ATOM 30 CB PHE A 4 25.695 34.498 8.946 1.00 4.83 C ATOM 31 CG PHE A 4 25.288 34.609 7.499 1.00 7.97 C ATOM 32 CD1 PHE A 4 24.147 33.966 7.038 1.00 6.69 C ATOM 33 CD2 PHE A 4 26.136 35.346 6.640 1.00 8.34 C ATOM 34 CE1 PHE A 4 23.812 34.031 5.677 1.00 9.10 C ATOM 35 CE2 PHE A 4 25.810 35.392 5.267 1.00 10.61 C ATOM 36 CZ PHE A 4 24.620 34.778 4.853 1.00 8.90 C ATOM 37 N VAL A 5 28.260 33.943 11.096 1.00 4.44 N ATOM 38 CA VAL A 5 28.605 33.965 12.503 1.00 3.87 C ATOM 39 C VAL A 5 28.638 35.461 12.900 1.00 4.93 C ATOM 40 O VAL A 5 29.522 36.103 12.320 1.00 6.84 O ATOM 41 CB VAL A 5 29.963 33.317 12.814 1.00 2.99 C ATOM 42 CG1 VAL A 5 30.211 33.394 14.304 1.00 5.28 C ATOM 43 CG2 VAL A 5 29.957 31.838 12.352 1.00 9.13 C ATOM 44 N LYS A 6 27.751 35.867 13.740 1.00 6.04 N ATOM 45 CA LYS A 6 27.691 37.315 14.143 1.00 6.12 C ATOM 46 C LYS A 6 28.469 37.475 15.420 1.00 6.57 C ATOM 47 O LYS A 6 28.213 36.753 16.411 1.00 5.76 O ATOM 48 CB LYS A 6 26.219 37.684 14.307 1.00 7.45 C ATOM 49 CG LYS A 6 25.884 39.139 14.615 1.00 11.12 C ATOM 50 CD LYS A 6 24.348 39.296 14.642 1.00 14.54 C ATOM 51 CE LYS A 6 23.865 40.723 14.749 1.00 18.84 C ATOM 52 NZ LYS A 6 22.375 40.720 14.907 1.00 20.55 N ATOM 53 N THR A 7 29.426 38.430 15.446 1.00 7.41 N ATOM 54 CA THR A 7 30.225 38.643 16.662 1.00 7.48 C ATOM 55 C THR A 7 29.664 39.839 17.434 1.00 8.75 C ATOM 56 O THR A 7 28.850 40.565 16.859 1.00 8.58 O ATOM 57 CB THR A 7 31.744 38.879 16.299 1.00 9.61 C ATOM 58 OG1 THR A 7 31.737 40.257 15.824 1.00 11.78 O ATOM 59 CG2 THR A 7 32.260 37.969 15.171 1.00 9.17 C ATOM 60 N LEU A 8 30.132 40.069 18.642 1.00 9.84 N ATOM 61 CA LEU A 8 29.607 41.180 19.467 1.00 14.15 C ATOM 62 C LEU A 8 30.075 42.538 18.984 1.00 17.37 C ATOM 63 O LEU A 8 29.586 43.570 19.483 1.00 17.01 O ATOM 64 CB LEU A 8 29.919 40.890 20.938 1.00 16.63 C ATOM 65 CG LEU A 8 29.183 39.722 21.581 1.00 18.88 C ATOM 66 CD1 LEU A 8 29.308 39.750 23.095 1.00 19.31 C ATOM 67 CD2 LEU A 8 27.700 39.721 21.228 1.00 18.59 C ATOM 68 N THR A 9 30.991 42.571 17.998 1.00 18.33 N ATOM 69 CA THR A 9 31.422 43.940 17.553 1.00 19.24 C ATOM 70 C THR A 9 30.755 44.351 16.277 1.00 19.48 C ATOM 71 O THR A 9 31.207 45.268 15.566 1.00 23.14 O ATOM 72 CB THR A 9 32.979 43.918 17.445 1.00 18.97 C ATOM 73 OG1 THR A 9 33.174 43.067 16.265 1.00 20.24 O ATOM 74 CG2 THR A 9 33.657 43.319 18.672 1.00 19.70 C ATOM 75 N GLY A 10 29.721 43.673 15.885 1.00 19.43 N ATOM 76 CA GLY A 10 28.978 43.960 14.678 1.00 18.74 C ATOM 77 C GLY A 10 29.604 43.507 13.393 1.00 17.62 C ATOM 78 O GLY A 10 29.219 43.981 12.301 1.00 19.74 O ATOM 79 N LYS A 11 30.563 42.623 13.495 1.00 13.56 N ATOM 80 CA LYS A 11 31.191 42.012 12.331 1.00 11.91 C ATOM 81 C LYS A 11 30.459 40.666 12.130 1.00 10.18 C ATOM 82 O LYS A 11 30.253 39.991 13.133 1.00 9.10 O ATOM 83 CB LYS A 11 32.672 41.717 12.505 1.00 13.43 C ATOM 84 CG LYS A 11 33.280 41.086 11.227 1.00 16.69 C ATOM 85 CD LYS A 11 34.762 40.799 11.470 1.00 17.92 C ATOM 86 CE LYS A 11 35.614 40.847 10.240 1.00 20.81 C ATOM 87 NZ LYS A 11 35.100 40.073 9.101 1.00 21.93 N ATOM 88 N THR A 12 30.163 40.338 10.886 1.00 9.63 N ATOM 89 CA THR A 12 29.542 39.020 10.653 1.00 9.85 C ATOM 90 C THR A 12 30.494 38.261 9.729 1.00 11.66 C ATOM 91 O THR A 12 30.849 38.850 8.706 1.00 12.33 O ATOM 92 CB THR A 12 28.113 39.049 10.015 1.00 10.85 C ATOM 93 OG1 THR A 12 27.280 39.722 10.996 1.00 10.91 O ATOM 94 CG2 THR A 12 27.588 37.635 9.715 1.00 9.63 C ATOM 95 N ILE A 13 30.795 37.015 10.095 1.00 10.42 N ATOM 96 CA ILE A 13 31.720 36.289 9.176 1.00 11.84 C ATOM 97 C ILE A 13 30.955 35.211 8.459 1.00 10.55 C ATOM 98 O ILE A 13 30.025 34.618 9.040 1.00 11.92 O ATOM 99 CB ILE A 13 32.995 35.883 9.934 1.00 14.86 C ATOM 100 CG1 ILE A 13 33.306 34.381 9.840 1.00 14.87 C ATOM 101 CG2 ILE A 13 33.109 36.381 11.435 1.00 17.08 C ATOM 102 CD1 ILE A 13 34.535 34.028 10.720 1.00 16.46 C ATOM 103 N THR A 14 31.244 34.986 7.197 1.00 9.39 N ATOM 104 CA THR A 14 30.505 33.884 6.512 1.00 9.63 C ATOM 105 C THR A 14 31.409 32.680 6.446 1.00 11.20 C ATOM 106 O THR A 14 32.619 32.812 6.125 1.00 11.63 O ATOM 107 CB THR A 14 30.091 34.393 5.078 1.00 10.38 C ATOM 108 OG1 THR A 14 31.440 34.513 4.487 1.00 16.30 O ATOM 109 CG2 THR A 14 29.420 35.756 5.119 1.00 11.66 C ATOM 110 N LEU A 15 30.884 31.485 6.666 1.00 8.29 N ATOM 111 CA LEU A 15 31.677 30.275 6.639 1.00 9.03 C ATOM 112 C LEU A 15 31.022 29.288 5.665 1.00 8.59 C ATOM 113 O LEU A 15 29.809 29.395 5.545 1.00 7.79 O ATOM 114 CB LEU A 15 31.562 29.686 8.045 1.00 11.08 C ATOM 115 CG LEU A 15 32.631 29.444 9.060 1.00 15.79 C ATOM 116 CD1 LEU A 15 33.814 30.390 9.030 1.00 15.88 C ATOM 117 CD2 LEU A 15 31.945 29.449 10.436 1.00 15.27 C ATOM 118 N GLU A 16 31.834 28.412 5.125 1.00 11.04 N ATOM 119 CA GLU A 16 31.220 27.341 4.275 1.00 11.50 C ATOM 120 C GLU A 16 31.440 26.079 5.080 1.00 10.13 C ATOM 121 O GLU A 16 32.576 25.802 5.461 1.00 9.83 O ATOM 122 CB GLU A 16 31.827 27.262 2.894 1.00 17.22 C ATOM 123 CG GLU A 16 31.363 28.410 1.962 1.00 23.33 C ATOM 124 CD GLU A 16 31.671 28.291 0.498 1.00 26.99 C ATOM 125 OE1 GLU A 16 30.869 28.621 -0.366 1.00 28.86 O ATOM 126 OE2 GLU A 16 32.835 27.861 0.278 1.00 28.90 O ATOM 127 N VAL A 17 30.310 25.458 5.384 1.00 8.99 N ATOM 128 CA VAL A 17 30.288 24.245 6.193 1.00 8.85 C ATOM 129 C VAL A 17 29.279 23.227 5.641 1.00 8.04 C ATOM 130 O VAL A 17 28.478 23.522 4.725 1.00 8.99 O ATOM 131 CB VAL A 17 29.903 24.590 7.665 1.00 9.78 C ATOM 132 CG1 VAL A 17 30.862 25.496 8.389 1.00 12.05 C ATOM 133 CG2 VAL A 17 28.476 25.135 7.705 1.00 10.54 C ATOM 134 N GLU A 18 29.380 22.057 6.232 1.00 7.29 N ATOM 135 CA GLU A 18 28.468 20.940 5.980 1.00 7.08 C ATOM 136 C GLU A 18 27.819 20.609 7.316 1.00 6.45 C ATOM 137 O GLU A 18 28.449 20.674 8.360 1.00 5.28 O ATOM 138 CB GLU A 18 29.213 19.697 5.506 1.00 10.28 C ATOM 139 CG GLU A 18 29.728 19.755 4.060 1.00 12.65 C ATOM 140 CD GLU A 18 28.754 20.061 2.978 1.00 14.15 C ATOM 141 OE1 GLU A 18 27.546 19.992 2.985 1.00 14.33 O ATOM 142 OE2 GLU A 18 29.336 20.423 1.904 1.00 18.17 O ATOM 143 N PRO A 19 26.559 20.220 7.288 1.00 7.24 N ATOM 144 CA PRO A 19 25.829 19.825 8.494 1.00 7.07 C ATOM 145 C PRO A 19 26.541 18.732 9.251 1.00 6.65 C ATOM 146 O PRO A 19 26.333 18.536 10.457 1.00 6.37 O ATOM 147 CB PRO A 19 24.469 19.332 7.952 1.00 7.61 C ATOM 148 CG PRO A 19 24.299 20.134 6.704 1.00 8.16 C ATOM 149 CD PRO A 19 25.714 20.108 6.073 1.00 7.49 C ATOM 150 N SER A 20 27.361 17.959 8.559 1.00 6.80 N ATOM 151 CA SER A 20 28.054 16.835 9.210 1.00 6.28 C ATOM 152 C SER A 20 29.258 17.318 9.984 1.00 8.45 C ATOM 153 O SER A 20 29.930 16.477 10.606 1.00 7.26 O ATOM 154 CB SER A 20 28.523 15.820 8.182 1.00 8.57 C ATOM 155 OG SER A 20 28.946 16.445 6.967 1.00 11.13 O ATOM 156 N ASP A 21 29.599 18.599 9.828 1.00 7.50 N ATOM 157 CA ASP A 21 30.796 19.083 10.566 1.00 7.70 C ATOM 158 C ASP A 21 30.491 19.162 12.040 1.00 7.08 C ATOM 159 O ASP A 21 29.367 19.523 12.441 1.00 8.11 O ATOM 160 CB ASP A 21 31.155 20.515 10.048 1.00 11.00 C ATOM 161 CG ASP A 21 31.923 20.436 8.755 1.00 15.32 C ATOM 162 OD1 ASP A 21 32.493 19.374 8.456 1.00 18.03 O ATOM 163 OD2 ASP A 21 31.838 21.402 7.968 1.00 14.36 O ATOM 164 N THR A 22 31.510 18.936 12.852 1.00 5.37 N ATOM 165 CA THR A 22 31.398 19.064 14.286 1.00 6.01 C ATOM 166 C THR A 22 31.593 20.553 14.655 1.00 8.01 C ATOM 167 O THR A 22 32.159 21.311 13.861 1.00 8.11 O ATOM 168 CB THR A 22 32.492 18.193 14.995 1.00 8.92 C ATOM 169 OG1 THR A 22 33.778 18.739 14.516 1.00 10.22 O ATOM 170 CG2 THR A 22 32.352 16.700 14.630 1.00 9.65 C ATOM 171 N ILE A 23 31.113 20.863 15.860 1.00 8.32 N ATOM 172 CA ILE A 23 31.288 22.201 16.417 1.00 9.92 C ATOM 173 C ILE A 23 32.776 22.519 16.577 1.00 10.01 C ATOM 174 O ILE A 23 33.233 23.659 16.384 1.00 8.71 O ATOM 175 CB ILE A 23 30.520 22.300 17.764 1.00 10.78 C ATOM 176 CG1 ILE A 23 29.006 22.043 17.442 1.00 11.38 C ATOM 177 CG2 ILE A 23 30.832 23.699 18.358 1.00 10.90 C ATOM 178 CD1 ILE A 23 28.407 22.948 16.366 1.00 12.30 C ATOM 179 N GLU A 24 33.548 21.526 16.950 1.00 9.54 N ATOM 180 CA GLU A 24 35.031 21.722 17.069 1.00 11.81 C ATOM 181 C GLU A 24 35.615 22.190 15.759 1.00 11.14 C ATOM 182 O GLU A 24 36.532 23.046 15.724 1.00 10.62 O ATOM 183 CB GLU A 24 35.667 20.383 17.447 1.00 19.24 C ATOM 184 CG GLU A 24 37.128 20.293 17.872 1.00 27.76 C ATOM 185 CD GLU A 24 37.561 18.851 18.082 1.00 32.92 C ATOM 186 OE1 GLU A 24 37.758 18.024 17.195 1.00 34.80 O ATOM 187 OE2 GLU A 24 37.628 18.599 19.313 1.00 36.51 O ATOM 188 N ASN A 25 35.139 21.624 14.662 1.00 9.43 N ATOM 189 CA ASN A 25 35.590 21.945 13.302 1.00 10.96 C ATOM 190 C ASN A 25 35.238 23.382 12.920 1.00 9.68 C ATOM 191 O ASN A 25 36.066 24.109 12.333 1.00 9.33 O ATOM 192 CB ASN A 25 35.064 20.957 12.255 1.00 16.78 C ATOM 193 CG ASN A 25 35.541 21.418 10.871 1.00 22.31 C ATOM 194 OD1 ASN A 25 36.772 21.623 10.676 1.00 25.66 O ATOM 195 ND2 ASN A 25 34.628 21.595 9.920 1.00 24.70 N ATOM 196 N VAL A 26 34.007 23.745 13.250 1.00 6.52 N ATOM 197 CA VAL A 26 33.533 25.097 12.978 1.00 5.53 C ATOM 198 C VAL A 26 34.441 26.099 13.684 1.00 4.42 C ATOM 199 O VAL A 26 34.883 27.090 13.093 1.00 3.40 O ATOM 200 CB VAL A 26 32.060 25.257 13.364 1.00 3.86 C ATOM 201 CG1 VAL A 26 31.684 26.749 13.342 1.00 7.25 C ATOM 202 CG2 VAL A 26 31.152 24.421 12.477 1.00 8.12 C ATOM 203 N LYS A 27 34.734 25.822 14.949 1.00 2.64 N ATOM 204 CA LYS A 27 35.596 26.715 15.736 1.00 4.14 C ATOM 205 C LYS A 27 36.975 26.826 15.107 1.00 5.58 C ATOM 206 O LYS A 27 37.579 27.926 15.159 1.00 4.11 O ATOM 207 CB LYS A 27 35.715 26.203 17.172 1.00 3.97 C ATOM 208 CG LYS A 27 34.343 26.445 17.898 1.00 7.45 C ATOM 209 CD LYS A 27 34.509 26.077 19.360 1.00 9.02 C ATOM 210 CE LYS A 27 33.206 26.311 20.122 1.00 12.90 C ATOM 211 NZ LYS A 27 33.455 25.910 21.546 1.00 15.47 N ATOM 212 N ALA A 28 37.499 25.743 14.571 1.00 6.61 N ATOM 213 CA ALA A 28 38.794 25.761 13.880 1.00 7.74 C ATOM 214 C ALA A 28 38.728 26.591 12.611 1.00 9.17 C ATOM 215 O ALA A 28 39.704 27.346 12.277 1.00 11.45 O ATOM 216 CB ALA A 28 39.285 24.336 13.566 1.00 7.68 C ATOM 217 N LYS A 29 37.633 26.543 11.867 1.00 8.96 N ATOM 218 CA LYS A 29 37.471 27.391 10.668 1.00 7.90 C ATOM 219 C LYS A 29 37.441 28.882 11.052 1.00 6.92 C ATOM 220 O LYS A 29 38.020 29.772 10.382 1.00 6.87 O ATOM 221 CB LYS A 29 36.193 27.058 9.911 1.00 10.28 C ATOM 222 CG LYS A 29 36.153 25.620 9.409 1.00 14.94 C ATOM 223 CD LYS A 29 34.758 25.280 8.900 1.00 19.69 C ATOM 224 CE LYS A 29 34.793 24.264 7.767 1.00 22.63 C ATOM 225 NZ LYS A 29 34.914 24.944 6.441 1.00 24.98 N ATOM 226 N ILE A 30 36.811 29.170 12.192 1.00 4.57 N ATOM 227 CA ILE A 30 36.731 30.570 12.645 1.00 5.58 C ATOM 228 C ILE A 30 38.148 30.981 13.069 1.00 7.26 C ATOM 229 O ILE A 30 38.544 32.150 12.856 1.00 9.46 O ATOM 230 CB ILE A 30 35.708 30.776 13.806 1.00 5.36 C ATOM 231 CG1 ILE A 30 34.228 30.630 13.319 1.00 2.94 C ATOM 232 CG2 ILE A 30 35.874 32.138 14.512 1.00 2.78 C ATOM 233 CD1 ILE A 30 33.284 30.504 14.552 1.00 2.00 C ATOM 234 N GLN A 31 38.883 30.110 13.713 1.00 7.06 N ATOM 235 CA GLN A 31 40.269 30.508 14.115 1.00 8.67 C ATOM 236 C GLN A 31 41.092 30.808 12.851 1.00 10.90 C ATOM 237 O GLN A 31 41.828 31.808 12.681 1.00 9.63 O ATOM 238 CB GLN A 31 40.996 29.399 14.865 1.00 9.12 C ATOM 239 CG GLN A 31 42.445 29.848 15.182 1.00 10.76 C ATOM 240 CD GLN A 31 43.090 28.828 16.095 1.00 13.78 C ATOM 241 OE1 GLN A 31 42.770 27.655 15.906 1.00 14.48 O ATOM 242 NE2 GLN A 31 43.898 29.252 17.050 1.00 14.76 N ATOM 243 N ASP A 32 41.001 29.878 11.931 1.00 10.93 N ATOM 244 CA ASP A 32 41.718 30.022 10.643 1.00 14.01 C ATOM 245 C ASP A 32 41.399 31.338 9.967 1.00 14.04 C ATOM 246 O ASP A 32 42.260 32.036 9.381 1.00 13.39 O ATOM 247 CB ASP A 32 41.398 28.780 9.810 1.00 18.01 C ATOM 248 CG ASP A 32 42.626 28.557 8.928 1.00 24.33 C ATOM 249 OD1 ASP A 32 43.666 28.262 9.539 1.00 26.29 O ATOM 250 OD2 ASP A 32 42.430 28.812 7.728 1.00 25.17 O ATOM 251 N LYS A 33 40.117 31.750 9.988 1.00 14.22 N ATOM 252 CA LYS A 33 39.808 32.994 9.233 1.00 14.00 C ATOM 253 C LYS A 33 39.837 34.271 9.995 1.00 12.37 C ATOM 254 O LYS A 33 40.164 35.323 9.345 1.00 12.17 O ATOM 255 CB LYS A 33 38.615 32.801 8.320 1.00 18.62 C ATOM 256 CG LYS A 33 37.220 32.822 8.827 1.00 24.00 C ATOM 257 CD LYS A 33 36.351 33.613 7.838 1.00 27.61 C ATOM 258 CE LYS A 33 36.322 32.944 6.477 1.00 27.64 C ATOM 259 NZ LYS A 33 35.768 33.945 5.489 1.00 30.06 N ATOM 260 N GLU A 34 39.655 34.335 11.285 1.00 10.11 N ATOM 261 CA GLU A 34 39.676 35.547 12.072 1.00 10.07 C ATOM 262 C GLU A 34 40.675 35.527 13.200 1.00 9.32 C ATOM 263 O GLU A 34 40.814 36.528 13.911 1.00 11.61 O ATOM 264 CB GLU A 34 38.290 35.814 12.698 1.00 14.77 C ATOM 265 CG GLU A 34 37.156 35.985 11.688 1.00 18.75 C ATOM 266 CD GLU A 34 37.192 37.361 11.033 1.00 22.28 C ATOM 267 OE1 GLU A 34 37.519 38.360 11.645 1.00 21.95 O ATOM 268 OE2 GLU A 34 36.861 37.320 9.822 1.00 25.19 O ATOM 269 N GLY A 35 41.317 34.393 13.432 1.00 7.22 N ATOM 270 CA GLY A 35 42.345 34.269 14.431 1.00 6.29 C ATOM 271 C GLY A 35 41.949 34.076 15.842 1.00 6.93 C ATOM 272 O GLY A 35 42.829 34.000 16.739 1.00 7.41 O ATOM 273 N ILE A 36 40.642 33.916 16.112 1.00 5.86 N ATOM 274 CA ILE A 36 40.226 33.716 17.509 1.00 6.07 C ATOM 275 C ILE A 36 40.449 32.278 17.945 1.00 6.36 C ATOM 276 O ILE A 36 39.936 31.336 17.315 1.00 6.18 O ATOM 277 CB ILE A 36 38.693 34.106 17.595 1.00 7.47 C ATOM 278 CG1 ILE A 36 38.471 35.546 17.045 1.00 8.52 C ATOM 279 CG2 ILE A 36 38.146 33.932 19.027 1.00 7.36 C ATOM 280 CD1 ILE A 36 36.958 35.746 16.680 1.00 9.49 C ATOM 281 N PRO A 37 41.189 32.085 19.031 1.00 8.65 N ATOM 282 CA PRO A 37 41.461 30.751 19.594 1.00 9.18 C ATOM 283 C PRO A 37 40.168 30.026 19.918 1.00 9.85 C ATOM 284 O PRO A 37 39.264 30.662 20.521 1.00 8.51 O ATOM 285 CB PRO A 37 42.195 31.142 20.913 1.00 11.42 C ATOM 286 CG PRO A 37 42.904 32.414 20.553 1.00 9.27 C ATOM 287 CD PRO A 37 41.822 33.188 19.813 1.00 8.33 C ATOM 288 N PRO A 38 40.059 28.758 19.607 1.00 8.71 N ATOM 289 CA PRO A 38 38.817 28.020 19.889 1.00 9.08 C ATOM 290 C PRO A 38 38.421 28.048 21.341 1.00 9.28 C ATOM 291 O PRO A 38 37.213 28.036 21.704 1.00 6.50 O ATOM 292 CB PRO A 38 39.090 26.629 19.325 1.00 10.31 C ATOM 293 CG PRO A 38 40.082 26.904 18.198 1.00 10.81 C ATOM 294 CD PRO A 38 41.035 27.909 18.879 1.00 12.00 C ATOM 295 N ASP A 39 39.374 28.090 22.240 1.00 11.20 N ATOM 296 CA ASP A 39 39.063 28.063 23.695 1.00 14.96 C ATOM 297 C ASP A 39 38.365 29.335 24.159 1.00 13.99 C ATOM 298 O ASP A 39 37.684 29.390 25.221 1.00 13.75 O ATOM 299 CB ASP A 39 40.340 27.692 24.468 1.00 24.16 C ATOM 300 CG ASP A 39 40.559 28.585 25.675 1.00 31.06 C ATOM 301 OD1 ASP A 39 40.716 29.809 25.456 1.00 35.55 O ATOM 302 OD2 ASP A 39 40.549 28.090 26.840 1.00 34.22 O ATOM 303 N GLN A 40 38.419 30.373 23.341 1.00 11.60 N ATOM 304 CA GLN A 40 37.738 31.637 23.712 1.00 10.76 C ATOM 305 C GLN A 40 36.334 31.742 23.087 1.00 8.01 C ATOM 306 O GLN A 40 35.574 32.618 23.483 1.00 8.96 O ATOM 307 CB GLN A 40 38.528 32.854 23.182 1.00 11.14 C ATOM 308 CG GLN A 40 39.919 32.854 23.840 1.00 14.85 C ATOM 309 CD GLN A 40 40.760 34.036 23.394 1.00 16.11 C ATOM 310 OE1 GLN A 40 41.975 34.008 23.624 1.00 20.52 O ATOM 311 NE2 GLN A 40 40.140 35.007 22.775 1.00 18.16 N ATOM 312 N GLN A 41 36.000 30.860 22.172 1.00 6.52 N ATOM 313 CA GLN A 41 34.738 30.875 21.473 1.00 3.87 C ATOM 314 C GLN A 41 33.589 30.189 22.181 1.00 4.79 C ATOM 315 O GLN A 41 33.580 29.009 22.499 1.00 6.34 O ATOM 316 CB GLN A 41 34.876 30.237 20.066 1.00 4.20 C ATOM 317 CG GLN A 41 36.012 30.860 19.221 1.00 3.20 C ATOM 318 CD GLN A 41 36.083 30.194 17.875 1.00 4.89 C ATOM 319 OE1 GLN A 41 35.048 29.702 17.393 1.00 5.21 O ATOM 320 NE2 GLN A 41 37.228 30.126 17.233 1.00 7.13 N ATOM 321 N ARG A 42 32.478 30.917 22.269 1.00 5.73 N ATOM 322 CA ARG A 42 31.200 30.329 22.780 1.00 6.97 C ATOM 323 C ARG A 42 30.210 30.509 21.650 1.00 7.15 C ATOM 324 O ARG A 42 29.978 31.726 21.269 1.00 7.33 O ATOM 325 CB ARG A 42 30.847 30.931 24.118 1.00 13.23 C ATOM 326 CG ARG A 42 29.412 30.796 24.598 1.00 21.27 C ATOM 327 CD ARG A 42 29.271 31.314 26.016 1.00 26.14 C ATOM 328 NE ARG A 42 27.875 31.317 26.443 1.00 32.26 N ATOM 329 CZ ARG A 42 27.132 32.423 26.574 1.00 34.32 C ATOM 330 NH1 ARG A 42 27.630 33.656 26.461 1.00 35.30 N ATOM 331 NH2 ARG A 42 25.810 32.299 26.732 1.00 36.39 N ATOM 332 N LEU A 43 29.694 29.436 21.054 1.00 4.65 N ATOM 333 CA LEU A 43 28.762 29.573 19.906 1.00 3.51 C ATOM 334 C LEU A 43 27.331 29.317 20.364 1.00 5.56 C ATOM 335 O LEU A 43 27.101 28.346 21.097 1.00 4.19 O ATOM 336 CB LEU A 43 29.151 28.655 18.755 1.00 3.74 C ATOM 337 CG LEU A 43 30.416 28.912 17.980 1.00 6.32 C ATOM 338 CD1 LEU A 43 30.738 27.693 17.122 1.00 9.55 C ATOM 339 CD2 LEU A 43 30.205 30.168 17.129 1.00 6.41 C ATOM 340 N ILE A 44 26.436 30.232 20.004 1.00 4.58 N ATOM 341 CA ILE A 44 25.034 30.170 20.401 1.00 5.55 C ATOM 342 C ILE A 44 24.101 30.149 19.196 1.00 5.46 C ATOM 343 O ILE A 44 24.196 30.948 18.287 1.00 6.04 O ATOM 344 CB ILE A 44 24.639 31.426 21.286 1.00 6.80 C ATOM 345 CG1 ILE A 44 25.646 31.670 22.421 1.00 10.31 C ATOM 346 CG2 ILE A 44 23.181 31.309 21.824 1.00 7.39 C ATOM 347 CD1 ILE A 44 25.778 30.436 23.356 1.00 13.90 C ATOM 348 N PHE A 45 23.141 29.187 19.241 1.00 6.75 N ATOM 349 CA PHE A 45 22.126 29.062 18.183 1.00 4.70 C ATOM 350 C PHE A 45 20.835 28.629 18.904 1.00 6.34 C ATOM 351 O PHE A 45 20.821 27.734 19.749 1.00 5.45 O ATOM 352 CB PHE A 45 22.494 28.057 17.109 1.00 5.51 C ATOM 353 CG PHE A 45 21.447 27.869 16.026 1.00 5.98 C ATOM 354 CD1 PHE A 45 21.325 28.813 15.005 1.00 6.86 C ATOM 355 CD2 PHE A 45 20.638 26.735 16.053 1.00 5.87 C ATOM 356 CE1 PHE A 45 20.369 28.648 14.001 1.00 6.68 C ATOM 357 CE2 PHE A 45 19.677 26.539 15.051 1.00 6.64 C ATOM 358 CZ PHE A 45 19.593 27.465 14.021 1.00 6.84 C ATOM 359 N ALA A 46 19.810 29.378 18.578 1.00 6.53 N ATOM 360 CA ALA A 46 18.443 29.143 19.083 1.00 7.15 C ATOM 361 C ALA A 46 18.453 28.941 20.591 1.00 9.00 C ATOM 362 O ALA A 46 17.860 27.994 21.128 1.00 11.15 O ATOM 363 CB ALA A 46 17.864 27.977 18.346 1.00 8.99 C ATOM 364 N GLY A 47 19.172 29.808 21.243 1.00 9.35 N ATOM 365 CA GLY A 47 19.399 29.894 22.655 1.00 11.68 C ATOM 366 C GLY A 47 20.083 28.729 23.321 1.00 11.14 C ATOM 367 O GLY A 47 19.991 28.584 24.561 1.00 13.93 O ATOM 368 N LYS A 48 20.801 27.931 22.578 1.00 10.47 N ATOM 369 CA LYS A 48 21.550 26.796 23.133 1.00 8.82 C ATOM 370 C LYS A 48 23.046 27.087 22.913 1.00 7.68 C ATOM 371 O LYS A 48 23.383 27.627 21.870 1.00 6.47 O ATOM 372 CB LYS A 48 21.242 25.519 22.391 1.00 9.74 C ATOM 373 CG LYS A 48 19.762 25.077 22.455 1.00 14.14 C ATOM 374 CD LYS A 48 19.634 23.885 21.531 1.00 16.32 C ATOM 375 CE LYS A 48 18.791 24.221 20.313 1.00 20.04 C ATOM 376 NZ LYS A 48 17.440 24.655 20.827 1.00 23.92 N ATOM 377 N GLN A 49 23.880 26.727 23.851 1.00 8.89 N ATOM 378 CA GLN A 49 25.349 26.872 23.643 1.00 7.18 C ATOM 379 C GLN A 49 25.743 25.586 22.922 1.00 8.23 C ATOM 380 O GLN A 49 25.325 24.489 23.378 1.00 9.70 O ATOM 381 CB GLN A 49 26.070 27.025 24.960 1.00 11.67 C ATOM 382 CG GLN A 49 27.553 27.356 24.695 1.00 15.82 C ATOM 383 CD GLN A 49 28.262 27.576 26.020 1.00 20.21 C ATOM 384 OE1 GLN A 49 29.189 26.840 26.335 1.00 23.23 O ATOM 385 NE2 GLN A 49 27.777 28.585 26.739 1.00 20.67 N ATOM 386 N LEU A 50 26.465 25.689 21.833 1.00 6.51 N ATOM 387 CA LEU A 50 26.826 24.521 21.012 1.00 7.41 C ATOM 388 C LEU A 50 27.994 23.781 21.643 1.00 8.27 C ATOM 389 O LEU A 50 28.904 24.444 22.098 1.00 8.34 O ATOM 390 CB LEU A 50 27.043 24.992 19.571 1.00 7.13 C ATOM 391 CG LEU A 50 25.931 25.844 18.959 1.00 7.53 C ATOM 392 CD1 LEU A 50 26.203 26.083 17.471 1.00 8.14 C ATOM 393 CD2 LEU A 50 24.577 25.190 19.079 1.00 9.11 C ATOM 394 N GLU A 51 27.942 22.448 21.648 1.00 9.43 N ATOM 395 CA GLU A 51 29.015 21.657 22.288 1.00 11.90 C ATOM 396 C GLU A 51 29.942 21.106 21.240 1.00 11.49 C ATOM 397 O GLU A 51 29.470 20.677 20.190 1.00 9.88 O ATOM 398 CB GLU A 51 28.348 20.540 23.066 1.00 16.56 C ATOM 399 CG GLU A 51 29.247 19.456 23.705 1.00 26.06 C ATOM 400 CD GLU A 51 28.722 19.047 25.066 1.00 29.86 C ATOM 401 OE1 GLU A 51 29.139 18.132 25.746 1.00 32.13 O ATOM 402 OE2 GLU A 51 27.777 19.842 25.367 1.00 33.44 O ATOM 403 N ASP A 52 31.233 21.090 21.459 1.00 12.71 N ATOM 404 CA ASP A 52 32.262 20.670 20.514 1.00 16.56 C ATOM 405 C ASP A 52 32.128 19.364 19.750 1.00 15.83 C ATOM 406 O ASP A 52 32.546 19.317 18.558 1.00 17.21 O ATOM 407 CB ASP A 52 33.638 20.716 21.242 1.00 21.05 C ATOM 408 CG ASP A 52 34.174 22.129 21.354 1.00 25.12 C ATOM 409 OD1 ASP A 52 35.252 22.322 21.958 1.00 28.37 O ATOM 410 OD2 ASP A 52 33.544 23.086 20.883 1.00 25.82 O ATOM 411 N GLY A 53 31.697 18.311 20.406 1.00 15.00 N ATOM 412 CA GLY A 53 31.568 16.962 19.825 1.00 11.77 C ATOM 413 C GLY A 53 30.320 16.698 19.051 1.00 11.10 C ATOM 414 O GLY A 53 30.198 15.657 18.366 1.00 11.25 O ATOM 415 N ARG A 54 29.340 17.594 19.076 1.00 8.53 N ATOM 416 CA ARG A 54 28.108 17.439 18.276 1.00 9.05 C ATOM 417 C ARG A 54 28.375 17.999 16.887 1.00 8.96 C ATOM 418 O ARG A 54 29.326 18.786 16.690 1.00 11.60 O ATOM 419 CB ARG A 54 26.926 18.191 18.892 1.00 7.97 C ATOM 420 CG ARG A 54 26.621 17.799 20.352 1.00 9.62 C ATOM 421 CD ARG A 54 26.010 16.370 20.280 1.00 12.20 C ATOM 422 NE ARG A 54 26.975 15.521 20.942 1.00 18.23 N ATOM 423 CZ ARG A 54 27.603 14.423 20.655 1.00 22.08 C ATOM 424 NH1 ARG A 54 27.479 13.733 19.537 1.00 23.38 N ATOM 425 NH2 ARG A 54 28.519 13.967 21.550 1.00 25.50 N ATOM 426 N THR A 55 27.510 17.689 15.954 1.00 9.05 N ATOM 427 CA THR A 55 27.574 18.192 14.563 1.00 9.03 C ATOM 428 C THR A 55 26.482 19.280 14.432 1.00 8.15 C ATOM 429 O THR A 55 25.609 19.388 15.287 1.00 5.91 O ATOM 430 CB THR A 55 27.299 17.055 13.533 1.00 11.15 C ATOM 431 OG1 THR A 55 25.925 16.611 13.913 1.00 11.95 O ATOM 432 CG2 THR A 55 28.236 15.864 13.558 1.00 11.71 C ATOM 433 N LEU A 56 26.585 20.063 13.378 1.00 6.91 N ATOM 434 CA LEU A 56 25.594 21.109 13.072 1.00 8.29 C ATOM 435 C LEU A 56 24.241 20.436 12.857 1.00 8.05 C ATOM 436 O LEU A 56 23.264 20.951 13.329 1.00 10.17 O ATOM 437 CB LEU A 56 26.084 21.888 11.833 1.00 6.60 C ATOM 438 CG LEU A 56 27.426 22.616 11.902 1.00 7.73 C ATOM 439 CD1 LEU A 56 27.718 23.341 10.578 1.00 9.85 C ATOM 440 CD2 LEU A 56 27.380 23.721 12.955 1.00 8.64 C ATOM 441 N SER A 57 24.240 19.233 12.246 1.00 8.92 N ATOM 442 CA SER A 57 22.924 18.583 12.025 1.00 9.00 C ATOM 443 C SER A 57 22.229 18.244 13.325 1.00 9.44 C ATOM 444 O SER A 57 20.963 18.253 13.395 1.00 10.91 O ATOM 445 CB SER A 57 23.059 17.326 11.154 1.00 10.32 C ATOM 446 OG SER A 57 23.914 16.395 11.755 1.00 13.59 O ATOM 447 N ASP A 58 22.997 17.978 14.366 1.00 9.11 N ATOM 448 CA ASP A 58 22.418 17.638 15.693 1.00 7.91 C ATOM 449 C ASP A 58 21.460 18.737 16.163 1.00 9.12 C ATOM 450 O ASP A 58 20.497 18.506 16.900 1.00 8.61 O ATOM 451 CB ASP A 58 23.461 17.331 16.741 1.00 8.41 C ATOM 452 CG ASP A 58 24.184 16.016 16.619 1.00 11.50 C ATOM 453 OD1 ASP A 58 25.303 15.894 17.152 1.00 10.05 O ATOM 454 OD2 ASP A 58 23.572 15.107 15.975 1.00 11.70 O ATOM 455 N TYR A 59 21.846 19.954 15.905 1.00 7.97 N ATOM 456 CA TYR A 59 21.079 21.149 16.251 1.00 8.45 C ATOM 457 C TYR A 59 20.142 21.590 15.149 1.00 10.98 C ATOM 458 O TYR A 59 19.499 22.645 15.321 1.00 12.95 O ATOM 459 CB TYR A 59 22.085 22.254 16.581 1.00 7.94 C ATOM 460 CG TYR A 59 22.945 21.951 17.785 1.00 6.91 C ATOM 461 CD1 TYR A 59 24.272 21.544 17.644 1.00 4.59 C ATOM 462 CD2 TYR A 59 22.437 22.157 19.065 1.00 6.98 C ATOM 463 CE1 TYR A 59 25.052 21.285 18.776 1.00 5.39 C ATOM 464 CE2 TYR A 59 23.204 21.907 20.192 1.00 6.52 C ATOM 465 CZ TYR A 59 24.517 21.470 20.030 1.00 6.76 C ATOM 466 OH TYR A 59 25.248 21.302 21.191 1.00 7.63 O ATOM 467 N ASN A 60 19.993 20.884 14.049 1.00 12.38 N ATOM 468 CA ASN A 60 19.065 21.352 12.999 1.00 13.94 C ATOM 469 C ASN A 60 19.442 22.745 12.510 1.00 14.16 C ATOM 470 O ASN A 60 18.571 23.610 12.289 1.00 14.26 O ATOM 471 CB ASN A 60 17.586 21.282 13.461 1.00 19.23 C ATOM 472 CG ASN A 60 16.576 21.258 12.315 1.00 22.65 C ATOM 473 OD1 ASN A 60 15.440 21.819 12.378 1.00 25.45 O ATOM 474 ND2 ASN A 60 16.924 20.586 11.216 1.00 24.09 N ATOM 475 N ILE A 61 20.717 22.964 12.260 1.00 11.08 N ATOM 476 CA ILE A 61 21.184 24.263 11.690 1.00 11.78 C ATOM 477 C ILE A 61 21.110 24.111 10.173 1.00 13.74 C ATOM 478 O ILE A 61 21.841 23.198 9.686 1.00 14.60 O ATOM 479 CB ILE A 61 22.650 24.516 12.172 1.00 11.80 C ATOM 480 CG1 ILE A 61 22.662 24.819 13.699 1.00 11.56 C ATOM 481 CG2 ILE A 61 23.376 25.645 11.409 1.00 13.29 C ATOM 482 CD1 ILE A 61 24.123 24.981 14.195 1.00 11.42 C ATOM 483 N GLN A 62 20.291 24.875 9.507 1.00 13.97 N ATOM 484 CA GLN A 62 20.081 24.773 8.033 1.00 15.52 C ATOM 485 C GLN A 62 20.822 25.914 7.332 1.00 13.94 C ATOM 486 O GLN A 62 21.323 26.830 8.008 1.00 12.15 O ATOM 487 CB GLN A 62 18.599 24.736 7.727 1.00 19.53 C ATOM 488 CG GLN A 62 17.819 23.434 7.900 1.00 26.38 C ATOM 489 CD GLN A 62 16.509 23.529 7.116 1.00 30.61 C ATOM 490 OE1 GLN A 62 15.446 22.980 7.433 1.00 33.23 O ATOM 491 NE2 GLN A 62 16.539 24.293 6.009 1.00 32.71 N ATOM 492 N LYS A 63 20.924 25.862 6.006 1.00 11.73 N ATOM 493 CA LYS A 63 21.656 26.847 5.240 1.00 11.97 C ATOM 494 C LYS A 63 21.127 28.240 5.574 1.00 10.41 C ATOM 495 O LYS A 63 19.958 28.465 5.842 1.00 9.59 O ATOM 496 CB LYS A 63 21.631 26.642 3.731 1.00 13.73 C ATOM 497 CG LYS A 63 20.210 26.423 3.175 1.00 16.98 C ATOM 498 CD LYS A 63 20.268 26.589 1.656 1.00 20.19 C ATOM 499 CE LYS A 63 19.202 25.857 0.891 1.00 23.42 C ATOM 500 NZ LYS A 63 17.884 26.544 1.075 1.00 25.97 N ATOM 501 N GLU A 64 22.099 29.163 5.605 1.00 10.04 N ATOM 502 CA GLU A 64 21.907 30.563 5.881 1.00 10.94 C ATOM 503 C GLU A 64 21.466 30.953 7.261 1.00 9.74 C ATOM 504 O GLU A 64 21.066 32.112 7.533 1.00 9.42 O ATOM 505 CB GLU A 64 21.023 31.223 4.784 1.00 18.31 C ATOM 506 CG GLU A 64 21.861 31.342 3.474 1.00 24.16 C ATOM 507 CD GLU A 64 21.156 30.726 2.311 1.00 29.00 C ATOM 508 OE1 GLU A 64 19.942 30.793 2.170 1.00 31.72 O ATOM 509 OE2 GLU A 64 21.954 30.152 1.535 1.00 32.61 O ATOM 510 N SER A 65 21.674 30.034 8.191 1.00 6.85 N ATOM 511 CA SER A 65 21.419 30.253 9.620 1.00 6.90 C ATOM 512 C SER A 65 22.504 31.228 10.136 1.00 4.72 C ATOM 513 O SER A 65 23.579 31.321 9.554 1.00 3.91 O ATOM 514 CB SER A 65 21.637 28.923 10.353 1.00 7.28 C ATOM 515 OG SER A 65 20.544 28.047 10.059 1.00 10.56 O ATOM 516 N THR A 66 22.241 31.873 11.241 1.00 4.48 N ATOM 517 CA THR A 66 23.212 32.762 11.891 1.00 3.80 C ATOM 518 C THR A 66 23.509 32.224 13.290 1.00 4.60 C ATOM 519 O THR A 66 22.544 31.942 14.034 1.00 5.33 O ATOM 520 CB THR A 66 22.699 34.267 11.985 1.00 2.85 C ATOM 521 OG1 THR A 66 22.495 34.690 10.589 1.00 2.15 O ATOM 522 CG2 THR A 66 23.727 35.131 12.722 1.00 3.40 C ATOM 523 N LEU A 67 24.790 32.021 13.618 1.00 4.17 N ATOM 524 CA LEU A 67 25.149 31.609 14.980 1.00 3.85 C ATOM 525 C LEU A 67 25.698 32.876 15.669 1.00 3.80 C ATOM 526 O LEU A 67 26.158 33.730 14.894 1.00 5.54 O ATOM 527 CB LEU A 67 26.310 30.594 14.967 1.00 7.18 C ATOM 528 CG LEU A 67 26.290 29.480 13.960 1.00 9.67 C ATOM 529 CD1 LEU A 67 27.393 28.442 14.229 1.00 8.12 C ATOM 530 CD2 LEU A 67 24.942 28.807 13.952 1.00 11.66 C ATOM 531 N HIS A 68 25.621 32.945 16.950 1.00 2.94 N ATOM 532 CA HIS A 68 26.179 34.127 17.650 1.00 4.17 C ATOM 533 C HIS A 68 27.475 33.651 18.304 1.00 5.32 C ATOM 534 O HIS A 68 27.507 32.587 18.958 1.00 7.70 O ATOM 535 CB HIS A 68 25.214 34.565 18.780 1.00 5.57 C ATOM 536 CG HIS A 68 23.978 35.121 18.126 1.00 9.95 C ATOM 537 ND1 HIS A 68 23.853 36.432 17.781 1.00 13.74 N ATOM 538 CD2 HIS A 68 22.824 34.514 17.782 1.00 12.79 C ATOM 539 CE1 HIS A 68 22.674 36.627 17.200 1.00 14.75 C ATOM 540 NE2 HIS A 68 22.045 35.455 17.173 1.00 16.30 N ATOM 541 N LEU A 69 28.525 34.447 18.189 1.00 5.29 N ATOM 542 CA LEU A 69 29.801 34.145 18.829 1.00 3.97 C ATOM 543 C LEU A 69 30.052 35.042 20.004 1.00 5.07 C ATOM 544 O LEU A 69 30.105 36.305 19.788 1.00 4.34 O ATOM 545 CB LEU A 69 30.925 34.304 17.753 1.00 6.08 C ATOM 546 CG LEU A 69 32.345 34.183 18.358 1.00 7.37 C ATOM 547 CD1 LEU A 69 32.555 32.783 18.870 1.00 6.87 C ATOM 548 CD2 LEU A 69 33.361 34.491 17.245 1.00 9.96 C ATOM 549 N VAL A 70 30.124 34.533 21.191 1.00 4.29 N ATOM 550 CA VAL A 70 30.479 35.369 22.374 1.00 6.26 C ATOM 551 C VAL A 70 31.901 34.910 22.728 1.00 9.22 C ATOM 552 O VAL A 70 32.190 33.696 22.635 1.00 9.36 O ATOM 553 CB VAL A 70 29.472 35.181 23.498 1.00 8.69 C ATOM 554 CG1 VAL A 70 29.821 35.957 24.765 1.00 9.76 C ATOM 555 CG2 VAL A 70 28.049 35.454 23.071 1.00 8.54 C ATOM 556 N LEU A 71 32.763 35.831 23.090 1.00 12.71 N ATOM 557 CA LEU A 71 34.145 35.472 23.481 1.00 16.06 C ATOM 558 C LEU A 71 34.239 35.353 24.979 1.00 18.09 C ATOM 559 O LEU A 71 33.707 36.197 25.728 1.00 19.26 O ATOM 560 CB LEU A 71 35.114 36.564 22.907 1.00 17.10 C ATOM 561 CG LEU A 71 35.926 35.979 21.737 1.00 19.37 C ATOM 562 CD1 LEU A 71 35.003 35.084 20.920 1.00 17.51 C ATOM 563 CD2 LEU A 71 36.533 37.087 20.917 1.00 19.57 C ATOM 564 N ARG A 72 34.930 34.384 25.451 1.00 21.47 N ATOM 565 CA ARG A 72 35.161 34.174 26.896 1.00 25.83 C ATOM 566 C ARG A 72 36.671 34.296 27.089 1.00 27.74 C ATOM 567 O ARG A 72 37.305 33.233 26.795 1.00 30.65 O ATOM 568 CB ARG A 72 34.717 32.760 27.286 1.00 28.49 C ATOM 569 CG ARG A 72 35.752 32.054 28.160 1.00 31.79 C ATOM 570 CD ARG A 72 35.612 30.577 28.044 1.00 34.05 C ATOM 571 NE ARG A 72 35.040 30.252 26.730 1.00 35.08 N ATOM 572 CZ ARG A 72 34.338 29.103 26.650 1.00 34.67 C ATOM 573 NH1 ARG A 72 34.110 28.437 27.768 1.00 35.02 N ATOM 574 NH2 ARG A 72 34.014 28.657 25.457 1.00 34.97 N ATOM 575 N LEU A 73 37.197 35.397 27.513 0.45 28.93 N ATOM 576 CA LEU A 73 38.668 35.502 27.680 0.45 30.76 C ATOM 577 C LEU A 73 39.076 34.931 29.031 0.45 32.18 C ATOM 578 O LEU A 73 38.297 34.946 29.996 0.45 32.31 O ATOM 579 CB LEU A 73 39.080 36.941 27.406 0.45 30.53 C ATOM 580 CG LEU A 73 39.502 37.340 26.002 0.45 30.16 C ATOM 581 CD1 LEU A 73 38.684 36.647 24.923 0.45 29.57 C ATOM 582 CD2 LEU A 73 39.337 38.854 25.862 0.45 29.11 C ATOM 583 N ARG A 74 40.294 34.412 29.045 0.45 33.82 N ATOM 584 CA ARG A 74 40.873 33.802 30.253 0.45 35.33 C ATOM 585 C ARG A 74 41.765 34.829 30.944 0.45 36.22 C ATOM 586 O ARG A 74 42.945 34.994 30.583 0.45 36.70 O ATOM 587 CB ARG A 74 41.651 32.529 29.923 0.45 36.91 C ATOM 588 CG ARG A 74 41.608 31.444 30.989 0.45 38.62 C ATOM 589 CD ARG A 74 41.896 30.080 30.456 0.45 39.75 C ATOM 590 NE ARG A 74 43.311 29.735 30.563 0.45 41.13 N ATOM 591 CZ ARG A 74 44.174 29.905 29.554 0.45 41.91 C ATOM 592 NH1 ARG A 74 43.754 30.312 28.356 0.45 42.75 N ATOM 593 NH2 ARG A 74 45.477 29.726 29.763 0.45 41.93 N ATOM 594 N GLY A 75 41.165 35.531 31.898 0.25 36.31 N ATOM 595 CA GLY A 75 41.845 36.550 32.686 0.25 36.07 C ATOM 596 C GLY A 75 41.251 37.941 32.588 0.25 36.16 C ATOM 597 O GLY A 75 41.102 38.523 31.500 0.25 36.26 O ATOM 598 N GLY A 76 40.946 38.472 33.757 0.25 36.05 N ATOM 599 CA GLY A 76 40.373 39.813 33.944 0.25 36.19 C ATOM 600 C GLY A 76 40.031 39.992 35.432 0.25 36.20 C ATOM 601 O GLY A 76 38.933 40.525 35.687 0.25 36.13 O ATOM 602 OXT GLY A 76 40.862 39.575 36.251 0.25 36.27 O TER 603 GLY A 76 HETATM 604 O HOH A 77 45.747 30.081 19.708 1.00 12.43 O HETATM 605 O HOH A 78 19.168 31.868 17.050 1.00 12.65 O HETATM 606 O HOH A 79 32.010 38.387 19.636 1.00 12.83 O HETATM 607 O HOH A 80 42.084 27.361 21.953 1.00 22.27 O HETATM 608 O HOH A 81 21.314 20.644 8.719 1.00 18.33 O HETATM 609 O HOH A 82 31.965 38.637 3.699 1.00 31.69 O HETATM 610 O HOH A 83 27.707 15.908 4.653 1.00 20.30 O HETATM 611 O HOH A 84 19.969 32.720 14.769 1.00 10.14 O HETATM 612 O HOH A 85 29.847 13.577 10.864 1.00 29.65 O HETATM 613 O HOH A 86 23.893 27.864 1.501 1.00 23.48 O HETATM 614 O HOH A 87 19.638 23.312 4.775 1.00 18.40 O HETATM 615 O HOH A 88 34.628 29.369 4.779 1.00 26.17 O HETATM 616 O HOH A 89 42.240 24.744 25.707 1.00 31.34 O HETATM 617 O HOH A 90 30.290 42.500 8.820 1.00 16.49 O HETATM 618 O HOH A 91 24.512 39.162 10.841 1.00 13.14 O HETATM 619 O HOH A 92 26.557 43.450 19.940 1.00 19.38 O HETATM 620 O HOH A 93 42.535 22.385 13.872 1.00 29.35 O HETATM 621 O HOH A 94 42.440 26.381 12.686 1.00 29.46 O HETATM 622 O HOH A 95 22.651 14.457 13.085 1.00 22.07 O HETATM 623 O HOH A 96 35.325 26.551 23.202 1.00 15.20 O HETATM 624 O HOH A 97 23.629 20.940 3.146 1.00 15.45 O HETATM 625 O HOH A 98 25.928 21.774 2.325 1.00 13.70 O HETATM 626 O HOH A 99 33.388 21.973 5.659 1.00 24.89 O HETATM 627 O HOH A 100 18.326 23.911 17.697 1.00 24.10 O HETATM 628 O HOH A 101 18.160 27.072 10.662 1.00 20.76 O HETATM 629 O HOH A 102 34.746 17.167 18.219 1.00 32.86 O HETATM 630 O HOH A 103 19.801 32.364 20.210 1.00 21.09 O HETATM 631 O HOH A 104 30.285 26.829 22.191 1.00 8.56 O HETATM 632 O HOH A 105 44.612 32.306 16.961 1.00 7.69 O HETATM 633 O HOH A 106 16.287 25.999 13.142 0.78 28.90 O HETATM 634 O HOH A 107 27.101 42.135 15.494 0.51 23.36 O HETATM 635 O HOH A 108 37.209 23.795 21.367 0.74 27.88 O HETATM 636 O HOH A 109 19.582 32.034 -0.685 0.49 22.24 O HETATM 637 O HOH A 110 28.824 25.094 0.886 0.77 36.99 O HETATM 638 O HOH A 111 25.146 19.162 25.323 0.87 36.70 O HETATM 639 O HOH A 112 20.747 37.769 14.674 0.85 29.64 O HETATM 640 O HOH A 113 16.035 17.841 8.765 0.61 23.89 O HETATM 641 O HOH A 114 35.712 46.814 12.926 0.48 27.11 O HETATM 642 O HOH A 115 15.570 27.475 7.482 0.51 24.18 O HETATM 643 O HOH A 116 33.447 21.075 2.918 0.59 26.03 O HETATM 644 O HOH A 117 41.116 39.021 13.061 0.63 22.39 O HETATM 645 O HOH A 118 32.346 13.689 18.912 0.48 24.09 O HETATM 646 O HOH A 119 31.197 13.048 7.920 0.71 29.54 O HETATM 647 O HOH A 120 42.853 39.375 29.308 0.64 46.90 O HETATM 648 O HOH A 121 39.646 23.959 9.699 0.41 18.25 O HETATM 649 O HOH A 122 34.405 45.181 13.420 0.87 26.13 O HETATM 650 O HOH A 123 26.517 24.300 27.592 0.41 21.02 O HETATM 651 O HOH A 124 40.740 38.734 9.602 0.45 16.60 O HETATM 652 O HOH A 125 31.494 18.276 23.170 0.67 26.53 O HETATM 653 O HOH A 126 37.752 30.947 1.059 0.87 32.52 O HETATM 654 O HOH A 127 31.771 16.941 7.511 0.64 15.94 O HETATM 655 O HOH A 128 41.628 24.537 10.145 0.57 22.53 O HETATM 656 O HOH A 129 28.988 22.175 -1.744 0.56 29.32 O HETATM 657 O HOH A 130 14.882 16.539 10.692 0.53 24.82 O HETATM 658 O HOH A 131 32.589 40.385 7.523 0.36 26.01 O HETATM 659 O HOH A 132 38.363 30.369 5.579 0.49 35.45 O HETATM 660 O HOH A 133 27.841 46.062 17.589 0.81 32.15 O HETATM 661 O HOH A 134 37.667 43.421 17.000 0.50 33.32 O MASTER 274 0 0 2 5 0 0 6 660 1 0 6 END