Mercurial > repos > chemteam > gmx_restraints
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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 71a3084d6e402b31563b1662bb629d5a959ce7b7"
| author | chemteam |
|---|---|
| date | Wed, 15 Apr 2020 14:30:09 -0400 |
| parents | 72c2b7992c26 |
| children |
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HEADER HYDROLASE 19-MAY-97 1AKI TITLE THE STRUCTURE OF THE ORTHORHOMBIC FORM OF HEN EGG-WHITE TITLE 2 LYSOZYME AT 1.5 ANGSTROMS RESOLUTION COMPND MOL_ID: 1; COMPND 2 MOLECULE: LYSOZYME; COMPND 3 CHAIN: A; COMPND 4 EC: 3.2.1.17 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 3 ORGANISM_COMMON: CHICKEN; SOURCE 4 ORGANISM_TAXID: 9031; SOURCE 5 CELL: EGG KEYWDS HYDROLASE, GLYCOSIDASE EXPDTA X-RAY DIFFRACTION AUTHOR D.CARTER,J.HE,J.R.RUBLE,B.WRIGHT REVDAT 2 24-FEB-09 1AKI 1 VERSN REVDAT 1 19-NOV-97 1AKI 0 JRNL AUTH P.J.ARTYMIUK,C.C.F.BLAKE,D.W.RICE,K.S.WILSON JRNL TITL THE STRUCTURES OF THE MONOCLINIC AND ORTHORHOMBIC JRNL TITL 2 FORMS OF HEN EGG-WHITE LYSOZYME AT 6 ANGSTROMS JRNL TITL 3 RESOLUTION JRNL REF ACTA CRYSTALLOGR.,SECT.B V. 38 778 1982 JRNL REFN ISSN 0108-7681 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.50 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : GPRLSA, X-PLOR REMARK 3 AUTHORS : FUREY REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 10.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 1.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 91.1 REMARK 3 NUMBER OF REFLECTIONS : 16327 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) : 0.212 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 : 1001 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 78 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) : 10.00 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA REMARK 3 BOND LENGTH (A) : 0.009 ; 0.010 REMARK 3 ANGLE DISTANCE (A) : 0.003 ; 0.025 REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : 0.024 ; 0.020 REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL REMARK 3 REMARK 3 PLANE RESTRAINT (A) : 0.033 ; 0.030 REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : 0.212 ; 0.200 REMARK 3 REMARK 3 NON-BONDED CONTACT RESTRAINTS. REMARK 3 SINGLE TORSION (A) : 0.183 ; 0.300 REMARK 3 MULTIPLE TORSION (A) : 0.159 ; 0.300 REMARK 3 H-BOND (X...Y) (A) : 0.299 ; 0.300 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) : 7.900 ; 5.000 REMARK 3 STAGGERED (DEGREES) : 17.800; 15.000 REMARK 3 TRANSVERSE (DEGREES) : 18.900; 15.000 REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : 2.500 ; 3.000 REMARK 3 MAIN-CHAIN ANGLE (A**2) : 2.900 ; 4.000 REMARK 3 SIDE-CHAIN BOND (A**2) : 3.200 ; 4.000 REMARK 3 SIDE-CHAIN ANGLE (A**2) : 3.600 ; 3.000 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1AKI 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 : NOV-95 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 4.48 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE(002) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : RIGAKU RAXIS IIC REMARK 200 INTENSITY-INTEGRATION SOFTWARE : RIGAKU REMARK 200 DATA SCALING SOFTWARE : BIOTEX REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 20571 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.500 REMARK 200 RESOLUTION RANGE LOW (A) : 15.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 91.1 REMARK 200 DATA REDUNDANCY : 3.100 REMARK 200 R MERGE (I) : 0.04400 REMARK 200 R SYM (I) : NULL REMARK 200 <I/SIGMA(I)> FOR THE DATA SET : 11.7000 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 <I/SIGMA(I)> FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: X-PLOR REMARK 200 STARTING MODEL: PDB ENTRY 2LZH REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 42.84 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.15 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 4.48 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 29.53100 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 15.25850 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.22550 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 15.25850 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 29.53100 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.22550 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 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 DISTANCE REMARK 500 NH2 ARG A 45 NH2 ARG A 68 2.16 REMARK 500 REMARK 500 REMARK: NULL 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 OD1 ASN A 19 ND2 ASN A 39 1556 2.09 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 ARG A 14 NE - CZ - NH1 ANGL. DEV. = -4.2 DEGREES REMARK 500 ASP A 18 CB - CG - OD1 ANGL. DEV. = 6.1 DEGREES REMARK 500 ARG A 21 CD - NE - CZ ANGL. DEV. = 13.6 DEGREES REMARK 500 ARG A 21 NE - CZ - NH2 ANGL. DEV. = 5.1 DEGREES REMARK 500 ARG A 45 NE - CZ - NH1 ANGL. DEV. = 4.6 DEGREES REMARK 500 ARG A 45 NE - CZ - NH2 ANGL. DEV. = -5.7 DEGREES REMARK 500 ASP A 66 CB - CG - OD1 ANGL. DEV. = 6.6 DEGREES REMARK 500 ASP A 66 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES REMARK 500 ARG A 68 NE - CZ - NH1 ANGL. DEV. = 8.8 DEGREES REMARK 500 ARG A 68 NE - CZ - NH2 ANGL. DEV. = -6.5 DEGREES REMARK 500 ARG A 73 NE - CZ - NH2 ANGL. DEV. = -4.4 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = 8.6 DEGREES REMARK 500 ARG A 112 NE - CZ - NH1 ANGL. DEV. = 4.4 DEGREES REMARK 500 ARG A 125 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES REMARK 500 ARG A 128 NE - CZ - NH1 ANGL. DEV. = 3.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 14 0.12 SIDE_CHAIN REMARK 500 ARG A 21 0.21 SIDE_CHAIN REMARK 500 ARG A 68 0.15 SIDE_CHAIN REMARK 500 ARG A 73 0.25 SIDE_CHAIN REMARK 500 ARG A 112 0.15 SIDE_CHAIN REMARK 500 ARG A 114 0.13 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY REMARK 500 REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 500 I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI ANGLE REMARK 500 ARG A 128 10.17 REMARK 500 REMARK 500 REMARK: NULL DBREF 1AKI A 1 129 UNP P00698 LYSC_CHICK 19 147 SEQRES 1 A 129 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 129 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 129 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 129 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 129 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 129 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 129 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 129 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 129 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 129 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG LEU FORMUL 2 HOH *78(H2 O) HELIX 1 1 ARG A 5 ARG A 14 1 10 HELIX 2 2 TYR A 20 GLY A 22 5 3 HELIX 3 3 LEU A 25 SER A 36 1 12 HELIX 4 4 CYS A 80 LEU A 84 5 5 HELIX 5 5 THR A 89 ASP A 101 1 13 HELIX 6 6 GLY A 104 ALA A 107 5 4 HELIX 7 7 VAL A 109 ARG A 114 1 6 HELIX 8 8 VAL A 120 TRP A 123 5 4 SHEET 1 A 2 THR A 43 ARG A 45 0 SHEET 2 A 2 THR A 51 TYR A 53 -1 N ASP A 52 O ASN A 44 SSBOND 1 CYS A 6 CYS A 127 1555 1555 1.97 SSBOND 2 CYS A 30 CYS A 115 1555 1555 2.00 SSBOND 3 CYS A 64 CYS A 80 1555 1555 1.99 SSBOND 4 CYS A 76 CYS A 94 1555 1555 2.02 CRYST1 59.062 68.451 30.517 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 0.016931 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014609 0.000000 0.00000 SCALE3 0.000000 0.000000 0.032769 0.00000 ATOM 1 N LYS A 1 35.365 22.342 -11.980 1.00 22.28 N ATOM 2 CA LYS A 1 35.892 21.073 -11.427 1.00 21.12 C ATOM 3 C LYS A 1 34.741 20.264 -10.844 1.00 16.85 C ATOM 4 O LYS A 1 33.945 20.813 -10.081 1.00 18.94 O ATOM 5 CB LYS A 1 36.872 21.435 -10.306 1.00 20.78 C ATOM 6 CG LYS A 1 37.453 20.248 -9.565 1.00 18.47 C ATOM 7 CD LYS A 1 38.688 20.649 -8.775 1.00 20.32 C ATOM 8 CE LYS A 1 39.057 19.508 -7.837 1.00 24.76 C ATOM 9 NZ LYS A 1 40.423 19.771 -7.299 1.00 28.27 N ATOM 10 N VAL A 2 34.739 18.961 -11.042 1.00 19.96 N ATOM 11 CA VAL A 2 33.903 17.998 -10.333 1.00 18.10 C ATOM 12 C VAL A 2 34.800 17.312 -9.294 1.00 19.39 C ATOM 13 O VAL A 2 35.759 16.605 -9.665 1.00 22.14 O ATOM 14 CB VAL A 2 33.140 17.034 -11.232 1.00 16.81 C ATOM 15 CG1 VAL A 2 32.251 16.084 -10.434 1.00 21.92 C ATOM 16 CG2 VAL A 2 32.294 17.714 -12.290 1.00 19.46 C ATOM 17 N PHE A 3 34.491 17.546 -8.038 1.00 19.89 N ATOM 18 CA PHE A 3 35.185 16.903 -6.918 1.00 17.43 C ATOM 19 C PHE A 3 34.742 15.441 -6.771 1.00 15.70 C ATOM 20 O PHE A 3 33.525 15.162 -6.862 1.00 18.52 O ATOM 21 CB PHE A 3 34.967 17.632 -5.594 1.00 17.94 C ATOM 22 CG PHE A 3 35.944 18.737 -5.375 1.00 16.78 C ATOM 23 CD1 PHE A 3 35.666 20.050 -5.798 1.00 15.97 C ATOM 24 CD2 PHE A 3 37.000 18.557 -4.473 1.00 19.95 C ATOM 25 CE1 PHE A 3 36.577 21.076 -5.568 1.00 17.32 C ATOM 26 CE2 PHE A 3 37.869 19.589 -4.157 1.00 17.65 C ATOM 27 CZ PHE A 3 37.636 20.873 -4.666 1.00 17.91 C ATOM 28 N GLY A 4 35.724 14.639 -6.331 1.00 16.79 N ATOM 29 CA GLY A 4 35.366 13.280 -5.870 1.00 16.34 C ATOM 30 C GLY A 4 34.924 13.420 -4.415 1.00 11.91 C ATOM 31 O GLY A 4 35.303 14.403 -3.781 1.00 16.23 O ATOM 32 N ARG A 5 34.053 12.538 -3.973 1.00 14.65 N ATOM 33 CA ARG A 5 33.565 12.538 -2.588 1.00 15.91 C ATOM 34 C ARG A 5 34.665 12.734 -1.556 1.00 15.38 C ATOM 35 O ARG A 5 34.669 13.651 -0.704 1.00 13.15 O ATOM 36 CB ARG A 5 32.765 11.262 -2.331 1.00 17.38 C ATOM 37 CG ARG A 5 32.213 11.203 -0.920 1.00 13.79 C ATOM 38 CD ARG A 5 31.375 10.001 -0.722 1.00 15.84 C ATOM 39 NE ARG A 5 32.059 8.749 -0.958 1.00 18.74 N ATOM 40 CZ ARG A 5 32.733 8.011 -0.097 1.00 15.19 C ATOM 41 NH1 ARG A 5 32.836 8.332 1.187 1.00 17.50 N ATOM 42 NH2 ARG A 5 33.245 6.836 -0.526 1.00 23.44 N ATOM 43 N CYS A 6 35.674 11.853 -1.612 1.00 14.07 N ATOM 44 CA CYS A 6 36.781 11.870 -0.654 1.00 14.62 C ATOM 45 C CYS A 6 37.747 13.050 -0.777 1.00 10.99 C ATOM 46 O CYS A 6 38.148 13.609 0.264 1.00 16.34 O ATOM 47 CB CYS A 6 37.491 10.532 -0.621 1.00 16.90 C ATOM 48 SG CYS A 6 36.540 9.205 0.140 1.00 18.61 S ATOM 49 N GLU A 7 37.861 13.481 -2.019 1.00 14.24 N ATOM 50 CA GLU A 7 38.685 14.686 -2.311 1.00 13.83 C ATOM 51 C GLU A 7 38.049 15.926 -1.658 1.00 14.86 C ATOM 52 O GLU A 7 38.744 16.729 -1.011 1.00 15.01 O ATOM 53 CB GLU A 7 38.784 14.846 -3.818 1.00 14.85 C ATOM 54 CG GLU A 7 39.540 16.051 -4.379 1.00 18.50 C ATOM 55 CD GLU A 7 39.576 16.242 -5.870 1.00 20.16 C ATOM 56 OE1 GLU A 7 38.672 15.644 -6.491 1.00 26.20 O ATOM 57 OE2 GLU A 7 40.415 16.953 -6.381 1.00 25.49 O ATOM 58 N LEU A 8 36.743 16.049 -1.819 1.00 15.18 N ATOM 59 CA LEU A 8 35.964 17.158 -1.255 1.00 12.72 C ATOM 60 C LEU A 8 36.051 17.132 0.266 1.00 9.45 C ATOM 61 O LEU A 8 36.159 18.166 0.920 1.00 13.45 O ATOM 62 CB LEU A 8 34.528 17.172 -1.811 1.00 14.31 C ATOM 63 CG LEU A 8 33.718 18.354 -1.305 1.00 15.95 C ATOM 64 CD1 LEU A 8 34.297 19.656 -1.841 1.00 16.56 C ATOM 65 CD2 LEU A 8 32.246 18.143 -1.596 1.00 15.88 C ATOM 66 N ALA A 9 35.754 15.980 0.828 1.00 14.24 N ATOM 67 CA ALA A 9 35.838 15.757 2.284 1.00 13.25 C ATOM 68 C ALA A 9 37.144 16.314 2.840 1.00 12.89 C ATOM 69 O ALA A 9 37.151 16.978 3.897 1.00 14.78 O ATOM 70 CB ALA A 9 35.656 14.287 2.623 1.00 13.89 C ATOM 71 N ALA A 10 38.272 15.983 2.204 1.00 12.54 N ATOM 72 CA ALA A 10 39.610 16.431 2.616 1.00 16.58 C ATOM 73 C ALA A 10 39.736 17.944 2.459 1.00 15.35 C ATOM 74 O ALA A 10 40.193 18.499 3.469 1.00 17.40 O ATOM 75 CB ALA A 10 40.708 15.706 1.842 1.00 15.49 C ATOM 76 N ALA A 11 39.227 18.519 1.385 1.00 13.54 N ATOM 77 CA ALA A 11 39.264 19.982 1.223 1.00 15.23 C ATOM 78 C ALA A 11 38.491 20.702 2.321 1.00 15.68 C ATOM 79 O ALA A 11 38.946 21.658 2.953 1.00 16.87 O ATOM 80 CB ALA A 11 38.869 20.421 -0.175 1.00 14.12 C ATOM 81 N MET A 12 37.288 20.214 2.590 1.00 15.47 N ATOM 82 CA MET A 12 36.398 20.781 3.612 1.00 13.69 C ATOM 83 C MET A 12 36.990 20.715 5.007 1.00 12.55 C ATOM 84 O MET A 12 36.906 21.637 5.840 1.00 17.69 O ATOM 85 CB MET A 12 34.993 20.213 3.515 1.00 11.18 C ATOM 86 CG MET A 12 34.320 20.724 2.265 1.00 15.06 C ATOM 87 SD MET A 12 32.634 19.986 2.235 1.00 17.81 S ATOM 88 CE MET A 12 31.788 21.135 1.138 1.00 18.08 C ATOM 89 N LYS A 13 37.688 19.628 5.314 1.00 12.42 N ATOM 90 CA LYS A 13 38.387 19.385 6.579 1.00 14.58 C ATOM 91 C LYS A 13 39.460 20.467 6.731 1.00 14.55 C ATOM 92 O LYS A 13 39.507 21.137 7.776 1.00 16.49 O ATOM 93 CB LYS A 13 38.934 17.952 6.572 1.00 15.36 C ATOM 94 CG LYS A 13 39.742 17.555 7.798 1.00 20.46 C ATOM 95 CD LYS A 13 38.973 16.777 8.834 1.00 23.53 C ATOM 96 CE LYS A 13 39.293 15.305 8.751 1.00 26.37 C ATOM 97 NZ LYS A 13 38.077 14.461 8.946 1.00 30.88 N ATOM 98 N ARG A 14 40.267 20.629 5.688 1.00 18.91 N ATOM 99 CA ARG A 14 41.387 21.577 5.713 1.00 17.66 C ATOM 100 C ARG A 14 40.927 23.017 5.881 1.00 16.78 C ATOM 101 O ARG A 14 41.557 23.834 6.584 1.00 20.06 O ATOM 102 CB ARG A 14 42.388 21.351 4.601 1.00 20.89 C ATOM 103 CG ARG A 14 42.173 22.079 3.289 1.00 25.07 C ATOM 104 CD ARG A 14 43.444 22.075 2.490 1.00 23.98 C ATOM 105 NE ARG A 14 43.687 20.710 2.012 1.00 31.92 N ATOM 106 CZ ARG A 14 43.098 20.255 0.892 1.00 26.04 C ATOM 107 NH1 ARG A 14 42.695 21.186 0.018 1.00 33.46 N ATOM 108 NH2 ARG A 14 42.949 18.957 0.689 1.00 25.91 N ATOM 109 N HIS A 15 39.681 23.247 5.463 1.00 17.84 N ATOM 110 CA HIS A 15 39.075 24.591 5.526 1.00 15.99 C ATOM 111 C HIS A 15 38.310 24.861 6.814 1.00 17.70 C ATOM 112 O HIS A 15 37.608 25.875 6.952 1.00 22.68 O ATOM 113 CB HIS A 15 38.223 24.918 4.285 1.00 19.19 C ATOM 114 CG HIS A 15 39.085 25.388 3.171 1.00 20.14 C ATOM 115 ND1 HIS A 15 39.457 24.635 2.091 1.00 24.53 N ATOM 116 CD2 HIS A 15 39.739 26.570 2.993 1.00 24.44 C ATOM 117 CE1 HIS A 15 40.211 25.312 1.258 1.00 20.68 C ATOM 118 NE2 HIS A 15 40.524 26.419 1.889 1.00 27.34 N ATOM 119 N GLY A 16 38.296 23.927 7.720 1.00 17.50 N ATOM 120 CA GLY A 16 37.765 24.025 9.072 1.00 18.71 C ATOM 121 C GLY A 16 36.264 23.799 9.210 1.00 18.40 C ATOM 122 O GLY A 16 35.646 24.400 10.127 1.00 21.57 O ATOM 123 N LEU A 17 35.665 23.073 8.274 1.00 17.56 N ATOM 124 CA LEU A 17 34.238 22.795 8.298 1.00 15.38 C ATOM 125 C LEU A 17 33.845 21.682 9.266 1.00 18.28 C ATOM 126 O LEU A 17 32.643 21.594 9.552 1.00 18.24 O ATOM 127 CB LEU A 17 33.648 22.647 6.901 1.00 15.02 C ATOM 128 CG LEU A 17 33.451 23.889 6.060 1.00 16.08 C ATOM 129 CD1 LEU A 17 32.933 23.420 4.705 1.00 13.83 C ATOM 130 CD2 LEU A 17 32.556 24.946 6.679 1.00 18.60 C ATOM 131 N ASP A 18 34.785 20.814 9.605 1.00 16.36 N ATOM 132 CA ASP A 18 34.492 19.722 10.526 1.00 16.25 C ATOM 133 C ASP A 18 34.015 20.222 11.901 1.00 17.32 C ATOM 134 O ASP A 18 34.826 20.778 12.658 1.00 20.27 O ATOM 135 CB ASP A 18 35.557 18.633 10.598 1.00 19.37 C ATOM 136 CG ASP A 18 35.017 17.408 11.311 1.00 20.25 C ATOM 137 OD1 ASP A 18 33.805 17.154 11.455 1.00 21.00 O ATOM 138 OD2 ASP A 18 35.925 16.603 11.662 1.00 27.06 O ATOM 139 N ASN A 19 32.746 19.990 12.205 1.00 18.55 N ATOM 140 CA ASN A 19 32.123 20.431 13.448 1.00 17.19 C ATOM 141 C ASN A 19 31.854 21.941 13.497 1.00 16.61 C ATOM 142 O ASN A 19 31.426 22.398 14.573 1.00 18.56 O ATOM 143 CB ASN A 19 32.767 20.004 14.770 1.00 18.92 C ATOM 144 CG ASN A 19 32.162 20.512 16.064 1.00 24.64 C ATOM 145 OD1 ASN A 19 30.967 20.273 16.355 1.00 32.53 O ATOM 146 ND2 ASN A 19 32.847 21.361 16.852 1.00 24.14 N ATOM 147 N TYR A 20 31.969 22.650 12.406 1.00 16.84 N ATOM 148 CA TYR A 20 31.707 24.099 12.411 1.00 15.54 C ATOM 149 C TYR A 20 30.231 24.343 12.759 1.00 15.81 C ATOM 150 O TYR A 20 29.288 23.874 12.118 1.00 16.89 O ATOM 151 CB TYR A 20 32.070 24.736 11.066 1.00 18.16 C ATOM 152 CG TYR A 20 32.061 26.250 11.144 1.00 20.28 C ATOM 153 CD1 TYR A 20 33.141 26.886 11.760 1.00 21.42 C ATOM 154 CD2 TYR A 20 30.979 27.004 10.691 1.00 20.44 C ATOM 155 CE1 TYR A 20 33.206 28.277 11.794 1.00 22.24 C ATOM 156 CE2 TYR A 20 31.018 28.399 10.779 1.00 21.36 C ATOM 157 CZ TYR A 20 32.102 29.017 11.383 1.00 19.38 C ATOM 158 OH TYR A 20 32.136 30.371 11.525 1.00 26.77 O ATOM 159 N ARG A 21 30.088 25.142 13.803 1.00 18.43 N ATOM 160 CA ARG A 21 28.774 25.553 14.319 1.00 15.68 C ATOM 161 C ARG A 21 27.964 24.312 14.623 1.00 15.17 C ATOM 162 O ARG A 21 26.733 24.333 14.606 1.00 18.36 O ATOM 163 CB ARG A 21 28.014 26.565 13.453 1.00 19.21 C ATOM 164 CG ARG A 21 28.507 27.995 13.535 1.00 21.50 C ATOM 165 CD ARG A 21 28.110 28.755 14.765 1.00 25.00 C ATOM 166 NE ARG A 21 29.319 29.321 15.324 1.00 30.37 N ATOM 167 CZ ARG A 21 30.215 30.234 14.978 1.00 29.02 C ATOM 168 NH1 ARG A 21 31.501 29.856 14.846 1.00 29.04 N ATOM 169 NH2 ARG A 21 29.938 31.437 14.495 1.00 31.89 N ATOM 170 N GLY A 22 28.689 23.250 14.998 1.00 17.81 N ATOM 171 CA GLY A 22 28.103 22.021 15.519 1.00 17.72 C ATOM 172 C GLY A 22 27.748 21.018 14.436 1.00 18.89 C ATOM 173 O GLY A 22 27.085 20.022 14.784 1.00 23.26 O ATOM 174 N TYR A 23 28.209 21.230 13.216 1.00 18.20 N ATOM 175 CA TYR A 23 27.887 20.318 12.111 1.00 15.42 C ATOM 176 C TYR A 23 29.124 19.533 11.628 1.00 16.30 C ATOM 177 O TYR A 23 30.045 20.191 11.139 1.00 16.66 O ATOM 178 CB TYR A 23 27.351 21.107 10.913 1.00 15.82 C ATOM 179 CG TYR A 23 26.001 21.745 11.127 1.00 15.96 C ATOM 180 CD1 TYR A 23 24.846 20.962 11.139 1.00 14.81 C ATOM 181 CD2 TYR A 23 25.897 23.096 11.458 1.00 16.60 C ATOM 182 CE1 TYR A 23 23.600 21.518 11.422 1.00 17.08 C ATOM 183 CE2 TYR A 23 24.647 23.673 11.726 1.00 19.34 C ATOM 184 CZ TYR A 23 23.518 22.881 11.701 1.00 19.21 C ATOM 185 OH TYR A 23 22.289 23.438 11.912 1.00 25.61 O ATOM 186 N SER A 24 29.029 18.223 11.810 1.00 15.35 N ATOM 187 CA SER A 24 30.143 17.347 11.414 1.00 16.89 C ATOM 188 C SER A 24 30.359 17.379 9.895 1.00 15.61 C ATOM 189 O SER A 24 29.442 17.687 9.139 1.00 13.88 O ATOM 190 CB SER A 24 29.922 15.934 11.907 1.00 17.54 C ATOM 191 OG SER A 24 28.799 15.336 11.308 1.00 19.85 O ATOM 192 N LEU A 25 31.593 17.028 9.540 1.00 16.08 N ATOM 193 CA LEU A 25 32.035 17.092 8.138 1.00 13.16 C ATOM 194 C LEU A 25 31.030 16.437 7.183 1.00 13.39 C ATOM 195 O LEU A 25 30.874 16.924 6.056 1.00 15.34 O ATOM 196 CB LEU A 25 33.410 16.409 8.084 1.00 13.47 C ATOM 197 CG LEU A 25 34.015 16.477 6.689 1.00 12.91 C ATOM 198 CD1 LEU A 25 34.174 17.929 6.289 1.00 13.04 C ATOM 199 CD2 LEU A 25 35.398 15.810 6.752 1.00 14.54 C ATOM 200 N GLY A 26 30.501 15.280 7.576 1.00 13.10 N ATOM 201 CA GLY A 26 29.539 14.561 6.756 1.00 13.88 C ATOM 202 C GLY A 26 28.338 15.378 6.277 1.00 12.12 C ATOM 203 O GLY A 26 27.886 15.250 5.120 1.00 13.13 O ATOM 204 N ASN A 27 27.905 16.281 7.161 1.00 12.16 N ATOM 205 CA ASN A 27 26.827 17.227 6.857 1.00 14.74 C ATOM 206 C ASN A 27 27.164 18.015 5.597 1.00 15.43 C ATOM 207 O ASN A 27 26.317 18.208 4.720 1.00 15.27 O ATOM 208 CB ASN A 27 26.484 18.126 8.054 1.00 12.34 C ATOM 209 CG ASN A 27 25.681 17.267 9.048 1.00 12.22 C ATOM 210 OD1 ASN A 27 24.511 16.933 8.820 1.00 17.40 O ATOM 211 ND2 ASN A 27 26.348 17.052 10.169 1.00 18.27 N ATOM 212 N TRP A 28 28.344 18.591 5.583 1.00 16.78 N ATOM 213 CA TRP A 28 28.831 19.475 4.513 1.00 16.49 C ATOM 214 C TRP A 28 28.940 18.741 3.183 1.00 12.99 C ATOM 215 O TRP A 28 28.742 19.321 2.090 1.00 13.97 O ATOM 216 CB TRP A 28 30.104 20.145 5.023 1.00 14.55 C ATOM 217 CG TRP A 28 29.941 20.978 6.251 1.00 11.93 C ATOM 218 CD1 TRP A 28 30.176 20.624 7.546 1.00 14.42 C ATOM 219 CD2 TRP A 28 29.319 22.284 6.287 1.00 13.11 C ATOM 220 NE1 TRP A 28 29.924 21.690 8.365 1.00 16.94 N ATOM 221 CE2 TRP A 28 29.337 22.679 7.641 1.00 14.07 C ATOM 222 CE3 TRP A 28 28.894 23.168 5.295 1.00 15.97 C ATOM 223 CZ2 TRP A 28 28.913 23.943 8.038 1.00 18.07 C ATOM 224 CZ3 TRP A 28 28.398 24.404 5.682 1.00 18.26 C ATOM 225 CH2 TRP A 28 28.431 24.766 7.025 1.00 17.18 C ATOM 226 N VAL A 29 29.572 17.543 3.261 1.00 13.00 N ATOM 227 CA VAL A 29 29.729 16.711 2.047 1.00 14.15 C ATOM 228 C VAL A 29 28.379 16.340 1.429 1.00 10.43 C ATOM 229 O VAL A 29 28.166 16.496 0.228 1.00 13.40 O ATOM 230 CB VAL A 29 30.649 15.492 2.359 1.00 12.76 C ATOM 231 CG1 VAL A 29 30.782 14.596 1.136 1.00 15.37 C ATOM 232 CG2 VAL A 29 32.010 16.050 2.772 1.00 14.18 C ATOM 233 N CYS A 30 27.501 15.906 2.299 1.00 15.32 N ATOM 234 CA CYS A 30 26.115 15.567 1.991 1.00 15.59 C ATOM 235 C CYS A 30 25.388 16.723 1.302 1.00 12.37 C ATOM 236 O CYS A 30 24.894 16.516 0.172 1.00 14.44 O ATOM 237 CB CYS A 30 25.343 15.046 3.172 1.00 14.99 C ATOM 238 SG CYS A 30 23.719 14.376 2.695 1.00 17.71 S ATOM 239 N ALA A 31 25.533 17.913 1.870 1.00 16.06 N ATOM 240 CA ALA A 31 24.949 19.130 1.305 1.00 15.82 C ATOM 241 C ALA A 31 25.487 19.354 -0.115 1.00 15.34 C ATOM 242 O ALA A 31 24.675 19.686 -0.998 1.00 16.00 O ATOM 243 CB ALA A 31 25.167 20.335 2.200 1.00 14.90 C ATOM 244 N ALA A 32 26.807 19.354 -0.286 1.00 11.93 N ATOM 245 CA ALA A 32 27.461 19.536 -1.579 1.00 13.08 C ATOM 246 C ALA A 32 26.943 18.538 -2.620 1.00 12.38 C ATOM 247 O ALA A 32 26.767 18.857 -3.789 1.00 13.89 O ATOM 248 CB ALA A 32 28.982 19.476 -1.398 1.00 14.17 C ATOM 249 N LYS A 33 26.731 17.303 -2.193 1.00 15.16 N ATOM 250 CA LYS A 33 26.261 16.216 -3.037 1.00 16.16 C ATOM 251 C LYS A 33 24.903 16.555 -3.658 1.00 15.04 C ATOM 252 O LYS A 33 24.806 16.511 -4.890 1.00 15.00 O ATOM 253 CB LYS A 33 26.221 14.860 -2.351 1.00 16.71 C ATOM 254 CG LYS A 33 25.697 13.696 -3.185 1.00 19.51 C ATOM 255 CD LYS A 33 26.498 13.400 -4.446 1.00 17.12 C ATOM 256 CE LYS A 33 25.686 12.464 -5.331 1.00 24.06 C ATOM 257 NZ LYS A 33 26.423 11.979 -6.525 1.00 26.78 N ATOM 258 N PHE A 34 23.972 16.946 -2.817 1.00 16.81 N ATOM 259 CA PHE A 34 22.569 17.125 -3.247 1.00 17.51 C ATOM 260 C PHE A 34 22.346 18.506 -3.836 1.00 18.19 C ATOM 261 O PHE A 34 21.504 18.692 -4.759 1.00 20.21 O ATOM 262 CB PHE A 34 21.626 16.673 -2.130 1.00 18.58 C ATOM 263 CG PHE A 34 21.644 15.172 -1.965 1.00 22.22 C ATOM 264 CD1 PHE A 34 21.209 14.353 -3.007 1.00 20.24 C ATOM 265 CD2 PHE A 34 22.272 14.627 -0.851 1.00 20.00 C ATOM 266 CE1 PHE A 34 21.372 12.961 -2.910 1.00 22.03 C ATOM 267 CE2 PHE A 34 22.443 13.245 -0.743 1.00 21.96 C ATOM 268 CZ PHE A 34 21.923 12.406 -1.737 1.00 20.77 C ATOM 269 N GLU A 35 23.251 19.415 -3.451 1.00 15.27 N ATOM 270 CA GLU A 35 23.178 20.789 -3.996 1.00 15.45 C ATOM 271 C GLU A 35 23.661 20.944 -5.423 1.00 17.45 C ATOM 272 O GLU A 35 23.014 21.514 -6.310 1.00 17.91 O ATOM 273 CB GLU A 35 23.698 21.892 -3.107 1.00 14.42 C ATOM 274 CG GLU A 35 22.994 22.212 -1.809 1.00 11.08 C ATOM 275 CD GLU A 35 21.631 22.846 -1.864 1.00 13.55 C ATOM 276 OE1 GLU A 35 21.408 23.360 -2.981 1.00 20.77 O ATOM 277 OE2 GLU A 35 20.947 23.032 -0.874 1.00 22.72 O ATOM 278 N SER A 36 24.867 20.483 -5.674 1.00 15.66 N ATOM 279 CA SER A 36 25.626 20.615 -6.903 1.00 17.79 C ATOM 280 C SER A 36 26.139 19.341 -7.569 1.00 16.97 C ATOM 281 O SER A 36 26.750 19.464 -8.642 1.00 21.78 O ATOM 282 CB SER A 36 26.830 21.528 -6.654 1.00 18.12 C ATOM 283 OG SER A 36 27.747 20.951 -5.748 1.00 15.16 O ATOM 284 N ASN A 37 25.957 18.222 -6.927 1.00 20.15 N ATOM 285 CA ASN A 37 26.628 16.968 -7.297 1.00 20.85 C ATOM 286 C ASN A 37 28.149 17.091 -7.302 1.00 19.72 C ATOM 287 O ASN A 37 28.813 16.627 -8.254 1.00 20.79 O ATOM 288 CB ASN A 37 26.028 16.490 -8.617 1.00 20.82 C ATOM 289 CG ASN A 37 26.156 14.980 -8.782 1.00 23.63 C ATOM 290 OD1 ASN A 37 26.640 14.266 -7.885 1.00 28.05 O ATOM 291 ND2 ASN A 37 25.867 14.506 -9.990 1.00 29.61 N ATOM 292 N PHE A 38 28.691 17.882 -6.383 1.00 16.12 N ATOM 293 CA PHE A 38 30.129 18.115 -6.279 1.00 14.75 C ATOM 294 C PHE A 38 30.717 18.903 -7.448 1.00 13.86 C ATOM 295 O PHE A 38 31.923 18.794 -7.702 1.00 16.66 O ATOM 296 CB PHE A 38 30.914 16.823 -6.047 1.00 17.09 C ATOM 297 CG PHE A 38 30.487 16.006 -4.863 1.00 15.96 C ATOM 298 CD1 PHE A 38 30.100 16.572 -3.655 1.00 15.43 C ATOM 299 CD2 PHE A 38 30.507 14.603 -4.993 1.00 17.66 C ATOM 300 CE1 PHE A 38 29.766 15.808 -2.558 1.00 16.83 C ATOM 301 CE2 PHE A 38 30.136 13.814 -3.891 1.00 15.86 C ATOM 302 CZ PHE A 38 29.835 14.410 -2.646 1.00 18.90 C ATOM 303 N ASN A 39 29.936 19.792 -8.033 1.00 17.63 N ATOM 304 CA ASN A 39 30.341 20.573 -9.199 1.00 16.77 C ATOM 305 C ASN A 39 30.543 22.034 -8.823 1.00 17.13 C ATOM 306 O ASN A 39 29.544 22.649 -8.423 1.00 17.24 O ATOM 307 CB ASN A 39 29.406 20.300 -10.366 1.00 17.40 C ATOM 308 CG ASN A 39 29.876 20.771 -11.716 1.00 16.96 C ATOM 309 OD1 ASN A 39 30.579 21.750 -11.956 1.00 23.22 O ATOM 310 ND2 ASN A 39 29.578 19.864 -12.653 1.00 26.35 N ATOM 311 N THR A 40 31.766 22.492 -8.928 1.00 14.88 N ATOM 312 CA THR A 40 32.139 23.869 -8.657 1.00 16.08 C ATOM 313 C THR A 40 31.504 24.890 -9.589 1.00 16.31 C ATOM 314 O THR A 40 31.316 26.054 -9.213 1.00 17.50 O ATOM 315 CB THR A 40 33.684 24.103 -8.422 1.00 17.07 C ATOM 316 OG1 THR A 40 34.270 24.156 -9.775 1.00 23.76 O ATOM 317 CG2 THR A 40 34.414 23.119 -7.491 1.00 16.46 C ATOM 318 N GLN A 41 31.001 24.430 -10.706 1.00 16.39 N ATOM 319 CA GLN A 41 30.524 25.291 -11.812 1.00 16.67 C ATOM 320 C GLN A 41 28.993 25.381 -11.874 1.00 15.44 C ATOM 321 O GLN A 41 28.504 26.019 -12.837 1.00 18.55 O ATOM 322 CB GLN A 41 31.047 24.817 -13.168 1.00 19.65 C ATOM 323 CG GLN A 41 32.549 25.004 -13.279 1.00 21.26 C ATOM 324 CD GLN A 41 32.763 26.236 -14.129 1.00 26.23 C ATOM 325 OE1 GLN A 41 32.356 26.308 -15.291 1.00 24.68 O ATOM 326 NE2 GLN A 41 33.276 27.231 -13.420 1.00 25.96 N ATOM 327 N ALA A 42 28.329 24.640 -11.012 1.00 15.95 N ATOM 328 CA ALA A 42 26.859 24.579 -11.061 1.00 17.42 C ATOM 329 C ALA A 42 26.257 25.969 -10.807 1.00 18.93 C ATOM 330 O ALA A 42 26.645 26.686 -9.884 1.00 17.00 O ATOM 331 CB ALA A 42 26.355 23.604 -9.998 1.00 22.79 C ATOM 332 N THR A 43 25.276 26.293 -11.643 1.00 18.30 N ATOM 333 CA THR A 43 24.441 27.490 -11.476 1.00 17.73 C ATOM 334 C THR A 43 22.976 27.112 -11.714 1.00 19.61 C ATOM 335 O THR A 43 22.715 26.271 -12.594 1.00 22.06 O ATOM 336 CB THR A 43 24.814 28.728 -12.375 1.00 17.58 C ATOM 337 OG1 THR A 43 24.555 28.321 -13.756 1.00 20.94 O ATOM 338 CG2 THR A 43 26.247 29.213 -12.184 1.00 18.26 C ATOM 339 N ASN A 44 22.088 27.742 -10.971 1.00 19.77 N ATOM 340 CA ASN A 44 20.640 27.497 -11.108 1.00 19.51 C ATOM 341 C ASN A 44 19.903 28.842 -10.963 1.00 14.85 C ATOM 342 O ASN A 44 20.169 29.600 -10.033 1.00 19.43 O ATOM 343 CB ASN A 44 20.155 26.480 -10.080 1.00 19.93 C ATOM 344 CG ASN A 44 18.646 26.315 -10.115 1.00 22.01 C ATOM 345 OD1 ASN A 44 18.128 25.720 -11.078 1.00 29.53 O ATOM 346 ND2 ASN A 44 17.906 26.927 -9.188 1.00 22.94 N ATOM 347 N ARG A 45 19.058 29.117 -11.924 1.00 16.90 N ATOM 348 CA ARG A 45 18.303 30.363 -12.015 1.00 18.37 C ATOM 349 C ARG A 45 16.955 30.163 -11.326 1.00 18.76 C ATOM 350 O ARG A 45 16.396 29.062 -11.425 1.00 20.87 O ATOM 351 CB ARG A 45 18.143 30.836 -13.462 1.00 19.30 C ATOM 352 CG ARG A 45 17.012 31.859 -13.557 1.00 23.98 C ATOM 353 CD ARG A 45 17.502 33.134 -12.930 1.00 23.36 C ATOM 354 NE ARG A 45 18.311 33.758 -13.981 1.00 29.56 N ATOM 355 CZ ARG A 45 17.620 34.271 -15.020 1.00 27.18 C ATOM 356 NH1 ARG A 45 16.287 34.331 -15.098 1.00 31.99 N ATOM 357 NH2 ARG A 45 18.374 34.698 -16.030 1.00 32.43 N ATOM 358 N ASN A 46 16.553 31.171 -10.554 1.00 18.13 N ATOM 359 CA ASN A 46 15.304 31.071 -9.782 1.00 20.10 C ATOM 360 C ASN A 46 14.261 32.063 -10.313 1.00 17.35 C ATOM 361 O ASN A 46 14.617 33.104 -10.880 1.00 19.15 O ATOM 362 CB ASN A 46 15.576 31.229 -8.295 1.00 20.05 C ATOM 363 CG ASN A 46 16.543 30.240 -7.679 1.00 20.12 C ATOM 364 OD1 ASN A 46 17.659 30.661 -7.346 1.00 21.21 O ATOM 365 ND2 ASN A 46 16.125 28.975 -7.600 1.00 19.44 N ATOM 366 N THR A 47 13.027 31.834 -9.887 1.00 19.96 N ATOM 367 CA THR A 47 11.871 32.654 -10.246 1.00 19.12 C ATOM 368 C THR A 47 12.001 34.107 -9.810 1.00 19.44 C ATOM 369 O THR A 47 11.600 34.969 -10.606 1.00 23.16 O ATOM 370 CB THR A 47 10.499 32.017 -9.789 1.00 17.70 C ATOM 371 OG1 THR A 47 10.507 32.195 -8.342 1.00 23.76 O ATOM 372 CG2 THR A 47 10.331 30.554 -10.188 1.00 22.66 C ATOM 373 N ASP A 48 12.625 34.377 -8.683 1.00 19.25 N ATOM 374 CA ASP A 48 12.885 35.716 -8.168 1.00 17.33 C ATOM 375 C ASP A 48 14.010 36.505 -8.823 1.00 17.71 C ATOM 376 O ASP A 48 14.246 37.621 -8.309 1.00 23.04 O ATOM 377 CB ASP A 48 13.023 35.735 -6.640 1.00 18.02 C ATOM 378 CG ASP A 48 14.367 35.174 -6.168 1.00 17.88 C ATOM 379 OD1 ASP A 48 15.104 34.602 -6.991 1.00 18.55 O ATOM 380 OD2 ASP A 48 14.750 35.442 -5.013 1.00 22.86 O ATOM 381 N GLY A 49 14.650 36.018 -9.862 1.00 17.62 N ATOM 382 CA GLY A 49 15.744 36.702 -10.546 1.00 17.27 C ATOM 383 C GLY A 49 17.147 36.315 -10.096 1.00 16.80 C ATOM 384 O GLY A 49 18.168 36.688 -10.694 1.00 20.27 O ATOM 385 N SER A 50 17.173 35.661 -8.930 1.00 19.61 N ATOM 386 CA SER A 50 18.435 35.225 -8.279 1.00 14.28 C ATOM 387 C SER A 50 18.977 33.963 -8.941 1.00 18.09 C ATOM 388 O SER A 50 18.273 33.255 -9.697 1.00 16.76 O ATOM 389 CB SER A 50 18.272 35.089 -6.781 1.00 17.64 C ATOM 390 OG SER A 50 17.530 33.930 -6.463 1.00 17.54 O ATOM 391 N THR A 51 20.271 33.766 -8.734 1.00 16.00 N ATOM 392 CA THR A 51 20.970 32.557 -9.202 1.00 13.82 C ATOM 393 C THR A 51 21.718 31.969 -8.000 1.00 14.58 C ATOM 394 O THR A 51 22.160 32.712 -7.119 1.00 13.28 O ATOM 395 CB THR A 51 21.904 32.908 -10.419 1.00 12.66 C ATOM 396 OG1 THR A 51 21.099 33.576 -11.407 1.00 17.65 O ATOM 397 CG2 THR A 51 22.686 31.699 -10.952 1.00 14.39 C ATOM 398 N ASP A 52 21.708 30.650 -7.927 1.00 14.66 N ATOM 399 CA ASP A 52 22.528 29.900 -6.959 1.00 13.43 C ATOM 400 C ASP A 52 23.843 29.488 -7.635 1.00 12.35 C ATOM 401 O ASP A 52 23.847 29.066 -8.805 1.00 15.18 O ATOM 402 CB ASP A 52 21.765 28.649 -6.554 1.00 14.12 C ATOM 403 CG ASP A 52 20.396 28.991 -6.002 1.00 20.03 C ATOM 404 OD1 ASP A 52 20.220 29.928 -5.237 1.00 21.30 O ATOM 405 OD2 ASP A 52 19.517 28.144 -6.222 1.00 20.92 O ATOM 406 N TYR A 53 24.924 29.734 -6.905 1.00 14.56 N ATOM 407 CA TYR A 53 26.278 29.604 -7.450 1.00 13.61 C ATOM 408 C TYR A 53 27.161 28.595 -6.708 1.00 12.70 C ATOM 409 O TYR A 53 27.289 28.606 -5.486 1.00 13.36 O ATOM 410 CB TYR A 53 26.993 30.972 -7.489 1.00 12.10 C ATOM 411 CG TYR A 53 26.437 31.959 -8.487 1.00 11.48 C ATOM 412 CD1 TYR A 53 26.843 32.003 -9.821 1.00 17.21 C ATOM 413 CD2 TYR A 53 25.510 32.907 -8.050 1.00 14.42 C ATOM 414 CE1 TYR A 53 26.291 32.922 -10.717 1.00 17.40 C ATOM 415 CE2 TYR A 53 24.907 33.803 -8.932 1.00 12.97 C ATOM 416 CZ TYR A 53 25.357 33.847 -10.252 1.00 15.91 C ATOM 417 OH TYR A 53 24.864 34.804 -11.094 1.00 19.31 O ATOM 418 N GLY A 54 27.751 27.721 -7.493 1.00 16.54 N ATOM 419 CA GLY A 54 28.845 26.832 -7.121 1.00 15.67 C ATOM 420 C GLY A 54 28.499 25.601 -6.290 1.00 10.78 C ATOM 421 O GLY A 54 27.339 25.155 -6.255 1.00 13.16 O ATOM 422 N ILE A 55 29.560 25.088 -5.684 1.00 15.43 N ATOM 423 CA ILE A 55 29.452 23.795 -4.994 1.00 14.01 C ATOM 424 C ILE A 55 28.424 23.748 -3.872 1.00 12.26 C ATOM 425 O ILE A 55 27.770 22.697 -3.693 1.00 16.92 O ATOM 426 CB ILE A 55 30.891 23.340 -4.563 1.00 16.64 C ATOM 427 CG1 ILE A 55 30.785 21.812 -4.319 1.00 17.00 C ATOM 428 CG2 ILE A 55 31.396 24.210 -3.390 1.00 18.87 C ATOM 429 CD1 ILE A 55 32.101 21.018 -4.339 1.00 20.60 C ATOM 430 N LEU A 56 28.216 24.881 -3.236 1.00 12.85 N ATOM 431 CA LEU A 56 27.173 24.998 -2.203 1.00 14.96 C ATOM 432 C LEU A 56 25.981 25.838 -2.659 1.00 11.08 C ATOM 433 O LEU A 56 25.161 26.111 -1.774 1.00 16.40 O ATOM 434 CB LEU A 56 27.816 25.424 -0.877 1.00 14.44 C ATOM 435 CG LEU A 56 28.692 24.348 -0.204 1.00 14.92 C ATOM 436 CD1 LEU A 56 29.331 24.997 1.008 1.00 18.78 C ATOM 437 CD2 LEU A 56 27.808 23.177 0.192 1.00 19.47 C ATOM 438 N GLN A 57 25.865 26.104 -3.946 1.00 14.17 N ATOM 439 CA GLN A 57 24.668 26.785 -4.465 1.00 11.55 C ATOM 440 C GLN A 57 24.277 27.940 -3.558 1.00 15.09 C ATOM 441 O GLN A 57 23.116 28.031 -3.094 1.00 15.28 O ATOM 442 CB GLN A 57 23.521 25.765 -4.549 1.00 13.56 C ATOM 443 CG GLN A 57 23.733 24.790 -5.699 1.00 12.45 C ATOM 444 CD GLN A 57 23.684 25.440 -7.069 1.00 14.21 C ATOM 445 OE1 GLN A 57 22.574 25.602 -7.591 1.00 18.18 O ATOM 446 NE2 GLN A 57 24.813 25.805 -7.651 1.00 14.86 N ATOM 447 N ILE A 58 25.164 28.910 -3.428 1.00 14.04 N ATOM 448 CA ILE A 58 24.930 30.118 -2.649 1.00 16.09 C ATOM 449 C ILE A 58 24.204 31.163 -3.504 1.00 11.19 C ATOM 450 O ILE A 58 24.555 31.405 -4.667 1.00 14.34 O ATOM 451 CB ILE A 58 26.301 30.665 -2.134 1.00 14.90 C ATOM 452 CG1 ILE A 58 26.751 29.724 -0.985 1.00 13.85 C ATOM 453 CG2 ILE A 58 26.178 32.135 -1.693 1.00 15.47 C ATOM 454 CD1 ILE A 58 28.246 29.954 -0.641 1.00 16.12 C ATOM 455 N ASN A 59 23.145 31.671 -2.905 1.00 14.23 N ATOM 456 CA ASN A 59 22.146 32.510 -3.590 1.00 10.60 C ATOM 457 C ASN A 59 22.550 33.974 -3.730 1.00 13.03 C ATOM 458 O ASN A 59 22.917 34.607 -2.740 1.00 18.49 O ATOM 459 CB ASN A 59 20.805 32.306 -2.884 1.00 15.76 C ATOM 460 CG ASN A 59 19.650 32.986 -3.588 1.00 15.71 C ATOM 461 OD1 ASN A 59 19.464 34.171 -3.244 1.00 18.79 O ATOM 462 ND2 ASN A 59 19.155 32.320 -4.612 1.00 16.44 N ATOM 463 N SER A 60 22.268 34.485 -4.941 1.00 11.71 N ATOM 464 CA SER A 60 22.570 35.910 -5.255 1.00 13.81 C ATOM 465 C SER A 60 21.687 36.993 -4.642 1.00 15.28 C ATOM 466 O SER A 60 22.054 38.177 -4.774 1.00 17.67 O ATOM 467 CB SER A 60 22.643 36.139 -6.750 1.00 14.62 C ATOM 468 OG SER A 60 21.432 36.007 -7.444 1.00 14.30 O ATOM 469 N ARG A 61 20.526 36.660 -4.138 1.00 15.88 N ATOM 470 CA ARG A 61 19.691 37.653 -3.434 1.00 18.54 C ATOM 471 C ARG A 61 20.277 38.108 -2.106 1.00 19.97 C ATOM 472 O ARG A 61 20.282 39.333 -1.876 1.00 26.30 O ATOM 473 CB ARG A 61 18.267 37.195 -3.250 1.00 18.00 C ATOM 474 CG ARG A 61 17.315 38.350 -2.959 1.00 20.10 C ATOM 475 CD ARG A 61 16.063 37.657 -2.503 1.00 26.00 C ATOM 476 NE ARG A 61 15.101 38.653 -2.063 1.00 29.28 N ATOM 477 CZ ARG A 61 13.794 38.351 -2.111 1.00 29.36 C ATOM 478 NH1 ARG A 61 13.439 37.257 -2.784 1.00 26.50 N ATOM 479 NH2 ARG A 61 12.925 39.249 -1.646 1.00 32.93 N ATOM 480 N TRP A 62 20.773 37.202 -1.273 1.00 16.51 N ATOM 481 CA TRP A 62 21.321 37.563 0.032 1.00 16.06 C ATOM 482 C TRP A 62 22.848 37.643 0.101 1.00 15.55 C ATOM 483 O TRP A 62 23.323 38.396 0.968 1.00 18.96 O ATOM 484 CB TRP A 62 20.833 36.611 1.134 1.00 17.91 C ATOM 485 CG TRP A 62 19.360 36.361 1.096 1.00 18.99 C ATOM 486 CD1 TRP A 62 18.719 35.247 0.643 1.00 20.47 C ATOM 487 CD2 TRP A 62 18.326 37.305 1.427 1.00 20.79 C ATOM 488 NE1 TRP A 62 17.360 35.457 0.609 1.00 21.70 N ATOM 489 CE2 TRP A 62 17.090 36.696 1.096 1.00 21.11 C ATOM 490 CE3 TRP A 62 18.333 38.584 1.965 1.00 19.84 C ATOM 491 CZ2 TRP A 62 15.875 37.327 1.307 1.00 22.57 C ATOM 492 CZ3 TRP A 62 17.115 39.208 2.186 1.00 23.93 C ATOM 493 CH2 TRP A 62 15.906 38.611 1.814 1.00 19.55 C ATOM 494 N TRP A 63 23.537 36.731 -0.584 1.00 16.01 N ATOM 495 CA TRP A 63 24.906 36.398 -0.276 1.00 15.21 C ATOM 496 C TRP A 63 26.089 36.924 -1.052 1.00 15.84 C ATOM 497 O TRP A 63 27.142 37.177 -0.432 1.00 19.13 O ATOM 498 CB TRP A 63 25.068 34.919 0.112 1.00 15.47 C ATOM 499 CG TRP A 63 24.036 34.428 1.068 1.00 12.46 C ATOM 500 CD1 TRP A 63 22.959 33.620 0.777 1.00 16.95 C ATOM 501 CD2 TRP A 63 23.919 34.728 2.450 1.00 13.27 C ATOM 502 NE1 TRP A 63 22.243 33.344 1.899 1.00 17.64 N ATOM 503 CE2 TRP A 63 22.761 34.067 2.931 1.00 17.28 C ATOM 504 CE3 TRP A 63 24.694 35.480 3.323 1.00 15.25 C ATOM 505 CZ2 TRP A 63 22.393 34.133 4.278 1.00 18.56 C ATOM 506 CZ3 TRP A 63 24.302 35.586 4.648 1.00 18.76 C ATOM 507 CH2 TRP A 63 23.179 34.910 5.117 1.00 19.36 C ATOM 508 N CYS A 64 25.962 36.914 -2.353 1.00 17.00 N ATOM 509 CA CYS A 64 26.985 37.433 -3.271 1.00 15.76 C ATOM 510 C CYS A 64 26.324 38.355 -4.286 1.00 15.97 C ATOM 511 O CYS A 64 25.102 38.314 -4.475 1.00 13.75 O ATOM 512 CB CYS A 64 27.638 36.265 -3.988 1.00 16.64 C ATOM 513 SG CYS A 64 26.562 35.233 -5.007 1.00 17.83 S ATOM 514 N ASN A 65 27.157 39.165 -4.908 1.00 17.73 N ATOM 515 CA ASN A 65 26.700 40.134 -5.920 1.00 16.46 C ATOM 516 C ASN A 65 26.985 39.646 -7.342 1.00 13.16 C ATOM 517 O ASN A 65 28.130 39.316 -7.647 1.00 15.95 O ATOM 518 CB ASN A 65 27.381 41.492 -5.712 1.00 19.19 C ATOM 519 CG ASN A 65 26.910 42.423 -6.824 1.00 19.59 C ATOM 520 OD1 ASN A 65 25.736 42.559 -7.141 1.00 23.26 O ATOM 521 ND2 ASN A 65 27.914 42.938 -7.527 1.00 25.56 N ATOM 522 N ASP A 66 25.920 39.484 -8.116 1.00 15.60 N ATOM 523 CA ASP A 66 26.102 39.180 -9.545 1.00 15.28 C ATOM 524 C ASP A 66 25.664 40.317 -10.460 1.00 15.23 C ATOM 525 O ASP A 66 25.719 40.143 -11.673 1.00 17.91 O ATOM 526 CB ASP A 66 25.462 37.858 -9.894 1.00 14.84 C ATOM 527 CG ASP A 66 23.951 37.903 -9.833 1.00 12.12 C ATOM 528 OD1 ASP A 66 23.288 38.898 -9.542 1.00 16.56 O ATOM 529 OD2 ASP A 66 23.455 36.769 -10.048 1.00 16.91 O ATOM 530 N GLY A 67 25.234 41.408 -9.860 1.00 18.13 N ATOM 531 CA GLY A 67 24.817 42.607 -10.577 1.00 19.40 C ATOM 532 C GLY A 67 23.544 42.553 -11.401 1.00 20.37 C ATOM 533 O GLY A 67 23.191 43.542 -12.055 1.00 18.23 O ATOM 534 N ARG A 68 22.822 41.441 -11.348 1.00 18.79 N ATOM 535 CA ARG A 68 21.560 41.308 -12.092 1.00 19.77 C ATOM 536 C ARG A 68 20.424 40.765 -11.243 1.00 18.48 C ATOM 537 O ARG A 68 19.385 40.383 -11.795 1.00 21.54 O ATOM 538 CB ARG A 68 21.746 40.454 -13.339 1.00 18.97 C ATOM 539 CG ARG A 68 22.197 39.048 -12.946 1.00 18.77 C ATOM 540 CD ARG A 68 22.477 38.187 -14.122 1.00 23.25 C ATOM 541 NE ARG A 68 21.439 37.201 -14.281 1.00 29.75 N ATOM 542 CZ ARG A 68 20.242 37.255 -14.855 1.00 28.71 C ATOM 543 NH1 ARG A 68 19.503 38.311 -15.145 1.00 32.34 N ATOM 544 NH2 ARG A 68 19.897 36.127 -15.497 1.00 33.10 N ATOM 545 N THR A 69 20.590 40.896 -9.952 1.00 18.68 N ATOM 546 CA THR A 69 19.607 40.408 -8.973 1.00 20.02 C ATOM 547 C THR A 69 18.994 41.597 -8.224 1.00 16.46 C ATOM 548 O THR A 69 19.683 42.241 -7.425 1.00 23.13 O ATOM 549 CB THR A 69 20.208 39.384 -7.910 1.00 19.66 C ATOM 550 OG1 THR A 69 20.851 38.334 -8.715 1.00 19.19 O ATOM 551 CG2 THR A 69 19.123 38.863 -6.955 1.00 18.58 C ATOM 552 N PRO A 70 17.687 41.741 -8.418 1.00 20.50 N ATOM 553 CA PRO A 70 16.953 42.824 -7.733 1.00 21.73 C ATOM 554 C PRO A 70 16.955 42.520 -6.242 1.00 22.11 C ATOM 555 O PRO A 70 16.739 41.356 -5.886 1.00 27.13 O ATOM 556 CB PRO A 70 15.557 42.749 -8.333 1.00 23.50 C ATOM 557 CG PRO A 70 15.759 42.092 -9.671 1.00 24.66 C ATOM 558 CD PRO A 70 16.887 41.095 -9.463 1.00 21.80 C ATOM 559 N GLY A 71 17.163 43.493 -5.401 1.00 21.67 N ATOM 560 CA GLY A 71 17.135 43.383 -3.947 1.00 24.03 C ATOM 561 C GLY A 71 18.328 42.710 -3.287 1.00 26.98 C ATOM 562 O GLY A 71 18.257 42.257 -2.126 1.00 32.77 O ATOM 563 N SER A 72 19.418 42.627 -4.018 1.00 26.40 N ATOM 564 CA SER A 72 20.665 41.976 -3.588 1.00 26.94 C ATOM 565 C SER A 72 21.139 42.582 -2.276 1.00 24.66 C ATOM 566 O SER A 72 21.055 43.819 -2.125 1.00 29.91 O ATOM 567 CB SER A 72 21.659 42.002 -4.737 1.00 25.16 C ATOM 568 OG SER A 72 23.015 41.835 -4.343 1.00 32.21 O ATOM 569 N ARG A 73 21.646 41.775 -1.369 1.00 22.51 N ATOM 570 CA ARG A 73 22.254 42.196 -0.113 1.00 22.60 C ATOM 571 C ARG A 73 23.774 42.058 0.029 1.00 22.33 C ATOM 572 O ARG A 73 24.425 42.749 0.849 1.00 27.92 O ATOM 573 CB ARG A 73 21.615 41.555 1.127 1.00 20.14 C ATOM 574 CG ARG A 73 20.187 41.983 1.439 1.00 22.29 C ATOM 575 CD ARG A 73 20.209 43.299 2.123 1.00 26.95 C ATOM 576 NE ARG A 73 18.928 43.771 2.617 1.00 33.74 N ATOM 577 CZ ARG A 73 17.980 44.302 1.823 1.00 33.76 C ATOM 578 NH1 ARG A 73 17.841 43.934 0.544 1.00 35.78 N ATOM 579 NH2 ARG A 73 17.571 45.545 2.146 1.00 33.83 N ATOM 580 N ASN A 74 24.346 41.143 -0.705 1.00 17.74 N ATOM 581 CA ASN A 74 25.780 40.833 -0.695 1.00 18.87 C ATOM 582 C ASN A 74 26.315 40.718 0.731 1.00 16.22 C ATOM 583 O ASN A 74 27.255 41.471 1.060 1.00 20.87 O ATOM 584 CB ASN A 74 26.565 41.786 -1.589 1.00 19.51 C ATOM 585 CG ASN A 74 27.982 41.328 -1.909 1.00 16.31 C ATOM 586 OD1 ASN A 74 28.318 40.169 -1.652 1.00 18.61 O ATOM 587 ND2 ASN A 74 28.838 42.192 -2.436 1.00 19.22 N ATOM 588 N LEU A 75 25.723 39.860 1.544 1.00 15.25 N ATOM 589 CA LEU A 75 26.153 39.690 2.930 1.00 14.82 C ATOM 590 C LEU A 75 27.518 39.011 3.085 1.00 16.78 C ATOM 591 O LEU A 75 28.167 39.197 4.141 1.00 22.00 O ATOM 592 CB LEU A 75 25.009 39.055 3.733 1.00 16.64 C ATOM 593 CG LEU A 75 23.815 39.998 3.979 1.00 17.08 C ATOM 594 CD1 LEU A 75 22.574 39.193 4.336 1.00 25.82 C ATOM 595 CD2 LEU A 75 24.156 40.969 5.110 1.00 20.95 C ATOM 596 N CYS A 76 27.973 38.312 2.061 1.00 17.66 N ATOM 597 CA CYS A 76 29.299 37.680 2.111 1.00 16.46 C ATOM 598 C CYS A 76 30.390 38.598 1.589 1.00 15.66 C ATOM 599 O CYS A 76 31.573 38.229 1.568 1.00 17.59 O ATOM 600 CB CYS A 76 29.396 36.303 1.477 1.00 17.61 C ATOM 601 SG CYS A 76 28.595 34.961 2.361 1.00 18.07 S ATOM 602 N ASN A 77 29.964 39.681 0.971 1.00 18.55 N ATOM 603 CA ASN A 77 30.827 40.725 0.395 1.00 19.18 C ATOM 604 C ASN A 77 31.711 40.163 -0.702 1.00 16.58 C ATOM 605 O ASN A 77 32.947 40.331 -0.689 1.00 21.61 O ATOM 606 CB ASN A 77 31.589 41.488 1.483 1.00 17.72 C ATOM 607 CG ASN A 77 32.126 42.812 0.957 1.00 20.20 C ATOM 608 OD1 ASN A 77 31.351 43.589 0.396 1.00 28.77 O ATOM 609 ND2 ASN A 77 33.430 43.012 1.047 1.00 27.05 N ATOM 610 N ILE A 78 31.149 39.408 -1.616 1.00 18.88 N ATOM 611 CA ILE A 78 31.904 38.780 -2.713 1.00 20.14 C ATOM 612 C ILE A 78 31.099 38.850 -4.013 1.00 17.08 C ATOM 613 O ILE A 78 29.864 38.688 -3.972 1.00 16.28 O ATOM 614 CB ILE A 78 32.183 37.255 -2.384 1.00 19.93 C ATOM 615 CG1 ILE A 78 30.882 36.639 -1.851 1.00 21.17 C ATOM 616 CG2 ILE A 78 33.437 37.003 -1.524 1.00 24.25 C ATOM 617 CD1 ILE A 78 30.936 35.120 -1.546 1.00 25.54 C ATOM 618 N PRO A 79 31.828 38.795 -5.108 1.00 16.64 N ATOM 619 CA PRO A 79 31.195 38.634 -6.421 1.00 19.12 C ATOM 620 C PRO A 79 30.792 37.146 -6.446 1.00 14.71 C ATOM 621 O PRO A 79 31.576 36.273 -6.005 1.00 17.48 O ATOM 622 CB PRO A 79 32.261 38.967 -7.445 1.00 18.74 C ATOM 623 CG PRO A 79 33.555 39.029 -6.710 1.00 18.97 C ATOM 624 CD PRO A 79 33.276 39.023 -5.215 1.00 16.79 C ATOM 625 N CYS A 80 29.629 36.908 -7.033 1.00 13.55 N ATOM 626 CA CYS A 80 29.167 35.522 -7.236 1.00 14.33 C ATOM 627 C CYS A 80 30.150 34.716 -8.073 1.00 13.92 C ATOM 628 O CYS A 80 30.214 33.484 -7.880 1.00 16.74 O ATOM 629 CB CYS A 80 27.749 35.338 -7.747 1.00 16.10 C ATOM 630 SG CYS A 80 26.471 36.160 -6.762 1.00 16.97 S ATOM 631 N SER A 81 30.769 35.294 -9.083 1.00 15.04 N ATOM 632 CA SER A 81 31.775 34.671 -9.933 1.00 15.64 C ATOM 633 C SER A 81 32.907 34.027 -9.109 1.00 14.90 C ATOM 634 O SER A 81 33.338 32.939 -9.561 1.00 21.08 O ATOM 635 CB SER A 81 32.381 35.643 -10.953 1.00 18.65 C ATOM 636 OG SER A 81 33.035 36.681 -10.235 1.00 20.86 O ATOM 637 N ALA A 82 33.226 34.572 -7.950 1.00 15.59 N ATOM 638 CA ALA A 82 34.272 33.963 -7.107 1.00 18.01 C ATOM 639 C ALA A 82 33.869 32.604 -6.540 1.00 18.75 C ATOM 640 O ALA A 82 34.703 31.798 -6.081 1.00 19.60 O ATOM 641 CB ALA A 82 34.722 34.930 -6.020 1.00 20.54 C ATOM 642 N LEU A 83 32.571 32.338 -6.519 1.00 15.36 N ATOM 643 CA LEU A 83 31.973 31.093 -6.042 1.00 18.66 C ATOM 644 C LEU A 83 32.060 29.962 -7.049 1.00 17.84 C ATOM 645 O LEU A 83 31.671 28.815 -6.739 1.00 21.50 O ATOM 646 CB LEU A 83 30.618 31.424 -5.431 1.00 17.11 C ATOM 647 CG LEU A 83 30.511 32.364 -4.244 1.00 16.65 C ATOM 648 CD1 LEU A 83 29.040 32.573 -3.857 1.00 18.78 C ATOM 649 CD2 LEU A 83 31.277 31.872 -3.020 1.00 20.62 C ATOM 650 N LEU A 84 32.473 30.271 -8.267 1.00 17.31 N ATOM 651 CA LEU A 84 32.610 29.295 -9.347 1.00 16.38 C ATOM 652 C LEU A 84 34.047 28.841 -9.570 1.00 19.37 C ATOM 653 O LEU A 84 34.334 28.243 -10.622 1.00 23.48 O ATOM 654 CB LEU A 84 31.914 29.793 -10.614 1.00 20.87 C ATOM 655 CG LEU A 84 30.446 30.183 -10.573 1.00 14.26 C ATOM 656 CD1 LEU A 84 30.014 30.771 -11.916 1.00 21.15 C ATOM 657 CD2 LEU A 84 29.597 28.942 -10.329 1.00 18.96 C ATOM 658 N SER A 85 34.942 29.197 -8.676 1.00 21.00 N ATOM 659 CA SER A 85 36.340 28.754 -8.727 1.00 20.86 C ATOM 660 C SER A 85 36.474 27.245 -8.497 1.00 19.65 C ATOM 661 O SER A 85 35.765 26.640 -7.681 1.00 20.62 O ATOM 662 CB SER A 85 37.109 29.482 -7.633 1.00 20.91 C ATOM 663 OG SER A 85 38.484 29.212 -7.834 1.00 26.88 O ATOM 664 N SER A 86 37.619 26.742 -8.943 1.00 22.57 N ATOM 665 CA SER A 86 38.008 25.343 -8.700 1.00 20.44 C ATOM 666 C SER A 86 38.388 25.153 -7.233 1.00 19.98 C ATOM 667 O SER A 86 38.314 24.055 -6.671 1.00 23.62 O ATOM 668 CB SER A 86 39.107 24.868 -9.650 1.00 23.76 C ATOM 669 OG SER A 86 38.401 24.215 -10.691 1.00 30.29 O ATOM 670 N ASP A 87 38.846 26.244 -6.668 1.00 19.74 N ATOM 671 CA ASP A 87 39.282 26.393 -5.271 1.00 18.72 C ATOM 672 C ASP A 87 37.999 26.657 -4.471 1.00 17.93 C ATOM 673 O ASP A 87 37.490 27.762 -4.712 1.00 20.06 O ATOM 674 CB ASP A 87 40.221 27.607 -5.212 1.00 21.65 C ATOM 675 CG ASP A 87 40.762 28.041 -3.869 1.00 23.98 C ATOM 676 OD1 ASP A 87 40.335 27.702 -2.742 1.00 26.26 O ATOM 677 OD2 ASP A 87 41.785 28.802 -3.933 1.00 32.04 O ATOM 678 N ILE A 88 37.732 25.850 -3.461 1.00 15.96 N ATOM 679 CA ILE A 88 36.515 26.089 -2.658 1.00 16.22 C ATOM 680 C ILE A 88 36.582 27.142 -1.563 1.00 14.43 C ATOM 681 O ILE A 88 35.600 27.315 -0.801 1.00 16.28 O ATOM 682 CB ILE A 88 35.993 24.736 -2.046 1.00 16.45 C ATOM 683 CG1 ILE A 88 36.920 24.200 -0.934 1.00 15.71 C ATOM 684 CG2 ILE A 88 35.587 23.743 -3.163 1.00 19.87 C ATOM 685 CD1 ILE A 88 36.363 23.226 0.137 1.00 17.47 C ATOM 686 N THR A 89 37.742 27.786 -1.369 1.00 14.21 N ATOM 687 CA THR A 89 37.913 28.772 -0.306 1.00 16.87 C ATOM 688 C THR A 89 36.736 29.761 -0.161 1.00 11.06 C ATOM 689 O THR A 89 36.341 29.983 1.000 1.00 13.83 O ATOM 690 CB THR A 89 39.267 29.591 -0.423 1.00 18.61 C ATOM 691 OG1 THR A 89 40.339 28.592 -0.514 1.00 20.24 O ATOM 692 CG2 THR A 89 39.419 30.553 0.766 1.00 17.79 C ATOM 693 N ALA A 90 36.507 30.482 -1.242 1.00 17.37 N ATOM 694 CA ALA A 90 35.479 31.555 -1.244 1.00 16.63 C ATOM 695 C ALA A 90 34.125 31.066 -0.735 1.00 14.09 C ATOM 696 O ALA A 90 33.366 31.671 0.065 1.00 15.68 O ATOM 697 CB ALA A 90 35.366 32.212 -2.617 1.00 17.13 C ATOM 698 N SER A 91 33.746 29.919 -1.296 1.00 13.62 N ATOM 699 CA SER A 91 32.494 29.220 -1.024 1.00 11.35 C ATOM 700 C SER A 91 32.429 28.817 0.467 1.00 11.70 C ATOM 701 O SER A 91 31.407 29.057 1.110 1.00 14.31 O ATOM 702 CB SER A 91 32.282 28.035 -1.917 1.00 13.48 C ATOM 703 OG SER A 91 32.020 28.335 -3.260 1.00 14.66 O ATOM 704 N VAL A 92 33.502 28.211 0.953 1.00 13.17 N ATOM 705 CA VAL A 92 33.595 27.846 2.381 1.00 13.44 C ATOM 706 C VAL A 92 33.477 29.105 3.261 1.00 12.00 C ATOM 707 O VAL A 92 32.716 29.020 4.244 1.00 13.83 O ATOM 708 CB VAL A 92 34.890 27.038 2.650 1.00 11.69 C ATOM 709 CG1 VAL A 92 35.125 26.987 4.151 1.00 16.05 C ATOM 710 CG2 VAL A 92 34.776 25.672 2.013 1.00 15.64 C ATOM 711 N ASN A 93 34.199 30.163 2.912 1.00 15.12 N ATOM 712 CA ASN A 93 34.160 31.413 3.685 1.00 15.10 C ATOM 713 C ASN A 93 32.747 32.034 3.803 1.00 9.80 C ATOM 714 O ASN A 93 32.361 32.393 4.908 1.00 16.51 O ATOM 715 CB ASN A 93 35.168 32.472 3.247 1.00 16.33 C ATOM 716 CG ASN A 93 36.582 32.083 3.642 1.00 19.02 C ATOM 717 OD1 ASN A 93 37.546 32.671 3.120 1.00 29.57 O ATOM 718 ND2 ASN A 93 36.710 31.188 4.631 1.00 24.29 N ATOM 719 N CYS A 94 32.096 31.996 2.670 1.00 15.72 N ATOM 720 CA CYS A 94 30.695 32.449 2.633 1.00 13.58 C ATOM 721 C CYS A 94 29.778 31.527 3.424 1.00 13.05 C ATOM 722 O CYS A 94 28.973 32.025 4.236 1.00 16.42 O ATOM 723 CB CYS A 94 30.291 32.704 1.185 1.00 12.05 C ATOM 724 SG CYS A 94 28.644 33.431 1.046 1.00 15.81 S ATOM 725 N ALA A 95 29.945 30.225 3.263 1.00 13.56 N ATOM 726 CA ALA A 95 29.134 29.227 3.969 1.00 15.63 C ATOM 727 C ALA A 95 29.236 29.330 5.491 1.00 10.80 C ATOM 728 O ALA A 95 28.222 29.180 6.179 1.00 12.93 O ATOM 729 CB ALA A 95 29.495 27.794 3.612 1.00 14.09 C ATOM 730 N LYS A 96 30.424 29.628 5.987 1.00 11.19 N ATOM 731 CA LYS A 96 30.627 29.912 7.419 1.00 13.27 C ATOM 732 C LYS A 96 29.802 31.115 7.906 1.00 13.38 C ATOM 733 O LYS A 96 29.296 31.011 9.027 1.00 15.75 O ATOM 734 CB LYS A 96 32.100 30.112 7.775 1.00 12.67 C ATOM 735 CG LYS A 96 32.874 28.792 7.697 1.00 11.93 C ATOM 736 CD LYS A 96 34.358 29.071 7.879 1.00 15.55 C ATOM 737 CE LYS A 96 35.205 27.816 7.938 1.00 18.03 C ATOM 738 NZ LYS A 96 36.610 28.242 8.169 1.00 20.72 N ATOM 739 N LYS A 97 29.660 32.101 7.049 1.00 12.90 N ATOM 740 CA LYS A 97 28.811 33.263 7.379 1.00 16.43 C ATOM 741 C LYS A 97 27.333 32.905 7.386 1.00 18.88 C ATOM 742 O LYS A 97 26.570 33.318 8.272 1.00 19.20 O ATOM 743 CB LYS A 97 29.087 34.456 6.470 1.00 18.97 C ATOM 744 CG LYS A 97 30.537 34.927 6.563 1.00 19.81 C ATOM 745 CD LYS A 97 30.841 36.073 5.610 1.00 22.00 C ATOM 746 CE LYS A 97 32.340 36.293 5.510 1.00 23.71 C ATOM 747 NZ LYS A 97 32.569 37.524 4.708 1.00 29.75 N ATOM 748 N ILE A 98 26.897 32.127 6.416 1.00 15.72 N ATOM 749 CA ILE A 98 25.520 31.693 6.266 1.00 16.36 C ATOM 750 C ILE A 98 25.030 30.871 7.453 1.00 16.70 C ATOM 751 O ILE A 98 24.059 31.254 8.126 1.00 18.80 O ATOM 752 CB ILE A 98 25.307 30.997 4.896 1.00 15.14 C ATOM 753 CG1 ILE A 98 25.643 31.910 3.702 1.00 13.63 C ATOM 754 CG2 ILE A 98 23.887 30.386 4.817 1.00 15.62 C ATOM 755 CD1 ILE A 98 25.620 31.204 2.321 1.00 17.82 C ATOM 756 N VAL A 99 25.875 29.966 7.915 1.00 16.73 N ATOM 757 CA VAL A 99 25.488 29.009 8.955 1.00 18.71 C ATOM 758 C VAL A 99 25.431 29.697 10.316 1.00 20.36 C ATOM 759 O VAL A 99 24.737 29.212 11.233 1.00 25.30 O ATOM 760 CB VAL A 99 26.398 27.774 8.859 1.00 16.94 C ATOM 761 CG1 VAL A 99 27.811 28.138 9.279 1.00 19.19 C ATOM 762 CG2 VAL A 99 25.834 26.594 9.632 1.00 18.97 C ATOM 763 N SER A 100 26.205 30.752 10.409 1.00 17.04 N ATOM 764 CA SER A 100 26.297 31.529 11.650 1.00 23.81 C ATOM 765 C SER A 100 25.124 32.495 11.765 1.00 24.03 C ATOM 766 O SER A 100 24.995 33.131 12.820 1.00 28.66 O ATOM 767 CB SER A 100 27.647 32.194 11.723 1.00 19.71 C ATOM 768 OG SER A 100 28.714 31.264 11.818 1.00 25.04 O ATOM 769 N ASP A 101 24.307 32.599 10.750 1.00 25.78 N ATOM 770 CA ASP A 101 23.162 33.495 10.650 1.00 26.98 C ATOM 771 C ASP A 101 21.924 33.183 11.481 1.00 28.34 C ATOM 772 O ASP A 101 21.132 34.143 11.678 1.00 31.88 O ATOM 773 CB ASP A 101 22.806 33.854 9.207 1.00 27.75 C ATOM 774 CG ASP A 101 22.426 35.320 9.009 1.00 30.86 C ATOM 775 OD1 ASP A 101 23.248 36.223 9.266 1.00 34.67 O ATOM 776 OD2 ASP A 101 21.276 35.519 8.551 1.00 32.70 O ATOM 777 N GLY A 102 21.723 31.942 11.887 1.00 28.87 N ATOM 778 CA GLY A 102 20.622 31.656 12.823 1.00 30.67 C ATOM 779 C GLY A 102 19.812 30.413 12.505 1.00 27.92 C ATOM 780 O GLY A 102 19.195 29.898 13.458 1.00 30.42 O ATOM 781 N ASN A 103 19.805 30.005 11.244 1.00 29.26 N ATOM 782 CA ASN A 103 19.076 28.799 10.848 1.00 25.22 C ATOM 783 C ASN A 103 19.990 27.600 10.597 1.00 22.06 C ATOM 784 O ASN A 103 19.472 26.579 10.117 1.00 24.23 O ATOM 785 CB ASN A 103 17.976 29.046 9.824 1.00 24.87 C ATOM 786 CG ASN A 103 16.708 28.245 10.063 1.00 27.08 C ATOM 787 OD1 ASN A 103 16.513 27.577 11.098 1.00 30.30 O ATOM 788 ND2 ASN A 103 15.672 28.428 9.240 1.00 30.15 N ATOM 789 N GLY A 104 21.240 27.711 10.997 1.00 23.20 N ATOM 790 CA GLY A 104 22.177 26.567 10.860 1.00 19.51 C ATOM 791 C GLY A 104 22.173 26.142 9.388 1.00 15.58 C ATOM 792 O GLY A 104 22.151 27.040 8.541 1.00 22.50 O ATOM 793 N MET A 105 22.185 24.847 9.115 1.00 17.51 N ATOM 794 CA MET A 105 22.278 24.370 7.724 1.00 16.07 C ATOM 795 C MET A 105 20.915 24.309 7.063 1.00 13.35 C ATOM 796 O MET A 105 20.902 23.921 5.871 1.00 15.50 O ATOM 797 CB MET A 105 23.036 23.048 7.632 1.00 19.32 C ATOM 798 CG MET A 105 24.519 23.221 7.871 1.00 17.10 C ATOM 799 SD MET A 105 25.379 21.660 7.491 1.00 20.27 S ATOM 800 CE MET A 105 25.369 21.706 5.703 1.00 20.03 C ATOM 801 N ASN A 106 19.896 24.839 7.735 1.00 14.64 N ATOM 802 CA ASN A 106 18.557 24.898 7.103 1.00 18.58 C ATOM 803 C ASN A 106 18.566 25.831 5.892 1.00 18.20 C ATOM 804 O ASN A 106 17.678 25.748 5.021 1.00 22.14 O ATOM 805 CB ASN A 106 17.420 25.150 8.084 1.00 19.18 C ATOM 806 CG ASN A 106 17.207 23.938 8.967 1.00 19.21 C ATOM 807 OD1 ASN A 106 16.836 22.867 8.443 1.00 24.65 O ATOM 808 ND2 ASN A 106 17.542 24.047 10.255 1.00 25.28 N ATOM 809 N ALA A 107 19.617 26.647 5.800 1.00 18.54 N ATOM 810 CA ALA A 107 19.824 27.514 4.634 1.00 18.74 C ATOM 811 C ALA A 107 20.007 26.744 3.329 1.00 16.80 C ATOM 812 O ALA A 107 19.734 27.292 2.260 1.00 20.63 O ATOM 813 CB ALA A 107 21.060 28.374 4.877 1.00 19.47 C ATOM 814 N TRP A 108 20.371 25.465 3.434 1.00 16.46 N ATOM 815 CA TRP A 108 20.532 24.624 2.241 1.00 14.68 C ATOM 816 C TRP A 108 19.317 23.688 2.110 1.00 17.55 C ATOM 817 O TRP A 108 19.240 22.816 2.993 1.00 20.05 O ATOM 818 CB TRP A 108 21.840 23.826 2.338 1.00 16.18 C ATOM 819 CG TRP A 108 23.000 24.736 2.026 1.00 15.50 C ATOM 820 CD1 TRP A 108 23.360 25.234 0.803 1.00 15.45 C ATOM 821 CD2 TRP A 108 23.798 25.437 2.991 1.00 15.57 C ATOM 822 NE1 TRP A 108 24.414 26.102 0.952 1.00 17.40 N ATOM 823 CE2 TRP A 108 24.711 26.237 2.272 1.00 15.78 C ATOM 824 CE3 TRP A 108 23.833 25.426 4.379 1.00 12.79 C ATOM 825 CZ2 TRP A 108 25.682 26.985 2.917 1.00 15.77 C ATOM 826 CZ3 TRP A 108 24.773 26.200 5.033 1.00 16.28 C ATOM 827 CH2 TRP A 108 25.691 26.960 4.298 1.00 16.65 C ATOM 828 N VAL A 109 18.487 23.925 1.101 1.00 15.35 N ATOM 829 CA VAL A 109 17.265 23.096 1.025 1.00 19.96 C ATOM 830 C VAL A 109 17.573 21.611 0.884 1.00 17.16 C ATOM 831 O VAL A 109 16.923 20.811 1.587 1.00 20.77 O ATOM 832 CB VAL A 109 16.146 23.660 0.145 1.00 21.94 C ATOM 833 CG1 VAL A 109 16.607 23.905 -1.285 1.00 27.84 C ATOM 834 CG2 VAL A 109 14.901 22.783 0.136 1.00 21.22 C ATOM 835 N ALA A 110 18.562 21.308 0.075 1.00 20.97 N ATOM 836 CA ALA A 110 18.972 19.935 -0.237 1.00 18.78 C ATOM 837 C ALA A 110 19.502 19.244 1.006 1.00 18.30 C ATOM 838 O ALA A 110 19.197 18.046 1.174 1.00 18.47 O ATOM 839 CB ALA A 110 19.857 19.777 -1.455 1.00 20.83 C ATOM 840 N TRP A 111 20.121 19.983 1.892 1.00 16.62 N ATOM 841 CA TRP A 111 20.551 19.500 3.202 1.00 15.74 C ATOM 842 C TRP A 111 19.343 19.085 4.046 1.00 19.12 C ATOM 843 O TRP A 111 19.284 17.986 4.643 1.00 16.20 O ATOM 844 CB TRP A 111 21.486 20.451 3.925 1.00 14.63 C ATOM 845 CG TRP A 111 21.858 19.904 5.252 1.00 14.87 C ATOM 846 CD1 TRP A 111 22.856 18.975 5.486 1.00 18.11 C ATOM 847 CD2 TRP A 111 21.199 20.093 6.504 1.00 16.63 C ATOM 848 NE1 TRP A 111 22.848 18.592 6.808 1.00 17.16 N ATOM 849 CE2 TRP A 111 21.798 19.221 7.435 1.00 16.77 C ATOM 850 CE3 TRP A 111 20.182 20.959 6.908 1.00 15.16 C ATOM 851 CZ2 TRP A 111 21.492 19.284 8.784 1.00 17.69 C ATOM 852 CZ3 TRP A 111 19.818 20.954 8.240 1.00 16.88 C ATOM 853 CH2 TRP A 111 20.443 20.110 9.162 1.00 19.73 C ATOM 854 N ARG A 112 18.438 20.038 4.228 1.00 17.47 N ATOM 855 CA ARG A 112 17.185 19.830 4.955 1.00 19.60 C ATOM 856 C ARG A 112 16.472 18.593 4.391 1.00 17.68 C ATOM 857 O ARG A 112 16.000 17.792 5.220 1.00 22.77 O ATOM 858 CB ARG A 112 16.214 20.990 4.944 1.00 17.57 C ATOM 859 CG ARG A 112 16.592 22.438 5.091 1.00 25.27 C ATOM 860 CD ARG A 112 15.368 23.296 5.135 1.00 21.23 C ATOM 861 NE ARG A 112 14.776 23.555 3.836 1.00 28.06 N ATOM 862 CZ ARG A 112 14.785 24.695 3.143 1.00 27.89 C ATOM 863 NH1 ARG A 112 15.596 25.721 3.383 1.00 30.12 N ATOM 864 NH2 ARG A 112 13.717 25.008 2.398 1.00 30.39 N ATOM 865 N ASN A 113 16.307 18.521 3.074 1.00 19.43 N ATOM 866 CA ASN A 113 15.464 17.463 2.491 1.00 20.16 C ATOM 867 C ASN A 113 16.111 16.083 2.586 1.00 21.26 C ATOM 868 O ASN A 113 15.454 15.054 2.808 1.00 24.90 O ATOM 869 CB ASN A 113 14.966 17.779 1.085 1.00 20.43 C ATOM 870 CG ASN A 113 14.003 18.961 1.018 1.00 16.63 C ATOM 871 OD1 ASN A 113 13.454 19.344 2.059 1.00 25.68 O ATOM 872 ND2 ASN A 113 13.840 19.555 -0.159 1.00 22.00 N ATOM 873 N ARG A 114 17.401 16.041 2.355 1.00 19.72 N ATOM 874 CA ARG A 114 18.156 14.836 2.042 1.00 21.43 C ATOM 875 C ARG A 114 19.258 14.440 2.991 1.00 22.71 C ATOM 876 O ARG A 114 19.505 13.217 3.097 1.00 24.85 O ATOM 877 CB ARG A 114 18.622 14.910 0.576 1.00 21.05 C ATOM 878 CG ARG A 114 17.395 14.614 -0.300 1.00 26.59 C ATOM 879 CD ARG A 114 17.729 14.399 -1.731 1.00 26.92 C ATOM 880 NE ARG A 114 18.153 15.677 -2.301 1.00 33.46 N ATOM 881 CZ ARG A 114 17.826 16.080 -3.535 1.00 32.00 C ATOM 882 NH1 ARG A 114 17.378 15.225 -4.456 1.00 36.02 N ATOM 883 NH2 ARG A 114 17.735 17.388 -3.796 1.00 36.05 N ATOM 884 N CYS A 115 19.743 15.372 3.773 1.00 17.56 N ATOM 885 CA CYS A 115 20.843 15.041 4.708 1.00 15.08 C ATOM 886 C CYS A 115 20.448 14.933 6.159 1.00 16.64 C ATOM 887 O CYS A 115 20.972 14.116 6.940 1.00 21.71 O ATOM 888 CB CYS A 115 21.991 16.018 4.426 1.00 15.21 C ATOM 889 SG CYS A 115 22.563 16.009 2.739 1.00 19.35 S ATOM 890 N LYS A 116 19.714 15.918 6.619 1.00 18.76 N ATOM 891 CA LYS A 116 19.332 16.085 8.025 1.00 19.14 C ATOM 892 C LYS A 116 18.634 14.821 8.518 1.00 21.91 C ATOM 893 O LYS A 116 17.819 14.234 7.785 1.00 24.78 O ATOM 894 CB LYS A 116 18.492 17.363 8.126 1.00 21.01 C ATOM 895 CG LYS A 116 17.930 17.512 9.547 1.00 21.28 C ATOM 896 CD LYS A 116 16.745 18.481 9.554 1.00 25.86 C ATOM 897 CE LYS A 116 16.658 19.147 10.918 1.00 25.58 C ATOM 898 NZ LYS A 116 15.454 20.010 11.047 1.00 34.69 N ATOM 899 N GLY A 117 19.152 14.318 9.635 1.00 26.39 N ATOM 900 CA GLY A 117 18.558 13.126 10.267 1.00 29.06 C ATOM 901 C GLY A 117 19.018 11.781 9.733 1.00 28.29 C ATOM 902 O GLY A 117 18.499 10.733 10.164 1.00 31.90 O ATOM 903 N THR A 118 19.892 11.802 8.740 1.00 26.88 N ATOM 904 CA THR A 118 20.473 10.578 8.171 1.00 22.31 C ATOM 905 C THR A 118 21.868 10.375 8.761 1.00 21.43 C ATOM 906 O THR A 118 22.321 11.119 9.650 1.00 22.31 O ATOM 907 CB THR A 118 20.440 10.571 6.598 1.00 18.59 C ATOM 908 OG1 THR A 118 21.560 11.404 6.161 1.00 22.71 O ATOM 909 CG2 THR A 118 19.095 11.104 6.074 1.00 21.13 C ATOM 910 N ASP A 119 22.392 9.213 8.431 1.00 21.20 N ATOM 911 CA ASP A 119 23.768 8.830 8.756 1.00 22.61 C ATOM 912 C ASP A 119 24.713 9.543 7.779 1.00 20.13 C ATOM 913 O ASP A 119 25.178 8.950 6.780 1.00 20.57 O ATOM 914 CB ASP A 119 23.934 7.313 8.738 1.00 21.00 C ATOM 915 CG ASP A 119 25.347 6.900 9.121 1.00 25.32 C ATOM 916 OD1 ASP A 119 26.051 7.633 9.830 1.00 27.93 O ATOM 917 OD2 ASP A 119 25.715 5.746 8.804 1.00 27.31 O ATOM 918 N VAL A 120 24.988 10.793 8.094 1.00 23.41 N ATOM 919 CA VAL A 120 25.886 11.637 7.306 1.00 20.10 C ATOM 920 C VAL A 120 27.342 11.199 7.304 1.00 18.51 C ATOM 921 O VAL A 120 28.099 11.604 6.406 1.00 19.95 O ATOM 922 CB VAL A 120 25.721 13.134 7.630 1.00 19.91 C ATOM 923 CG1 VAL A 120 24.356 13.655 7.183 1.00 23.59 C ATOM 924 CG2 VAL A 120 26.088 13.478 9.055 1.00 20.79 C ATOM 925 N GLN A 121 27.701 10.430 8.306 1.00 21.83 N ATOM 926 CA GLN A 121 29.021 9.783 8.389 1.00 21.12 C ATOM 927 C GLN A 121 29.317 8.861 7.207 1.00 20.78 C ATOM 928 O GLN A 121 30.480 8.669 6.820 1.00 19.66 O ATOM 929 CB GLN A 121 29.088 9.048 9.728 1.00 24.21 C ATOM 930 CG GLN A 121 30.530 8.965 10.167 1.00 26.13 C ATOM 931 CD GLN A 121 30.615 8.877 11.674 1.00 26.94 C ATOM 932 OE1 GLN A 121 31.368 9.632 12.283 1.00 31.43 O ATOM 933 NE2 GLN A 121 29.884 7.871 12.151 1.00 28.26 N ATOM 934 N ALA A 122 28.300 8.271 6.576 1.00 17.62 N ATOM 935 CA ALA A 122 28.390 7.548 5.311 1.00 19.46 C ATOM 936 C ALA A 122 29.186 8.290 4.227 1.00 17.98 C ATOM 937 O ALA A 122 30.031 7.710 3.523 1.00 21.35 O ATOM 938 CB ALA A 122 26.999 7.244 4.783 1.00 18.29 C ATOM 939 N TRP A 123 29.021 9.616 4.240 1.00 18.07 N ATOM 940 CA TRP A 123 29.703 10.502 3.283 1.00 16.76 C ATOM 941 C TRP A 123 31.218 10.581 3.392 1.00 16.76 C ATOM 942 O TRP A 123 31.905 10.942 2.412 1.00 20.08 O ATOM 943 CB TRP A 123 29.027 11.872 3.347 1.00 19.49 C ATOM 944 CG TRP A 123 27.621 11.735 2.850 1.00 17.43 C ATOM 945 CD1 TRP A 123 26.485 11.608 3.588 1.00 19.42 C ATOM 946 CD2 TRP A 123 27.241 11.547 1.481 1.00 17.47 C ATOM 947 NE1 TRP A 123 25.405 11.458 2.774 1.00 18.86 N ATOM 948 CE2 TRP A 123 25.827 11.391 1.479 1.00 17.28 C ATOM 949 CE3 TRP A 123 27.947 11.468 0.283 1.00 20.03 C ATOM 950 CZ2 TRP A 123 25.111 11.184 0.311 1.00 18.33 C ATOM 951 CZ3 TRP A 123 27.222 11.329 -0.886 1.00 20.85 C ATOM 952 CH2 TRP A 123 25.835 11.127 -0.869 1.00 20.45 C ATOM 953 N ILE A 124 31.741 10.269 4.554 1.00 14.19 N ATOM 954 CA ILE A 124 33.186 10.292 4.801 1.00 16.82 C ATOM 955 C ILE A 124 33.863 8.955 5.024 1.00 18.45 C ATOM 956 O ILE A 124 35.100 8.892 5.134 1.00 21.02 O ATOM 957 CB ILE A 124 33.504 11.403 5.863 1.00 17.69 C ATOM 958 CG1 ILE A 124 32.956 10.984 7.234 1.00 18.86 C ATOM 959 CG2 ILE A 124 33.024 12.804 5.387 1.00 21.01 C ATOM 960 CD1 ILE A 124 33.729 11.437 8.488 1.00 22.81 C ATOM 961 N ARG A 125 33.080 7.898 5.131 1.00 21.05 N ATOM 962 CA ARG A 125 33.594 6.534 5.320 1.00 19.12 C ATOM 963 C ARG A 125 34.311 6.113 4.036 1.00 17.52 C ATOM 964 O ARG A 125 33.843 6.337 2.906 1.00 23.44 O ATOM 965 CB ARG A 125 32.476 5.551 5.650 1.00 19.54 C ATOM 966 CG ARG A 125 32.117 5.596 7.145 1.00 22.40 C ATOM 967 CD ARG A 125 31.277 4.392 7.482 1.00 24.05 C ATOM 968 NE ARG A 125 30.282 4.754 8.466 1.00 28.08 N ATOM 969 CZ ARG A 125 28.984 4.993 8.331 1.00 23.40 C ATOM 970 NH1 ARG A 125 28.334 4.690 7.207 1.00 23.69 N ATOM 971 NH2 ARG A 125 28.392 5.549 9.392 1.00 23.77 N ATOM 972 N GLY A 126 35.497 5.568 4.243 1.00 18.80 N ATOM 973 CA GLY A 126 36.291 5.058 3.102 1.00 21.28 C ATOM 974 C GLY A 126 37.334 6.066 2.658 1.00 22.50 C ATOM 975 O GLY A 126 38.220 5.729 1.855 1.00 23.59 O ATOM 976 N CYS A 127 37.335 7.221 3.297 1.00 19.05 N ATOM 977 CA CYS A 127 38.234 8.333 2.961 1.00 19.13 C ATOM 978 C CYS A 127 39.422 8.382 3.925 1.00 22.50 C ATOM 979 O CYS A 127 39.206 8.267 5.138 1.00 21.64 O ATOM 980 CB CYS A 127 37.453 9.628 2.990 1.00 18.75 C ATOM 981 SG CYS A 127 36.010 9.816 1.936 1.00 19.93 S ATOM 982 N ARG A 128 40.586 8.695 3.393 1.00 23.60 N ATOM 983 CA ARG A 128 41.774 8.960 4.217 1.00 28.29 C ATOM 984 C ARG A 128 41.820 10.438 4.578 1.00 25.64 C ATOM 985 O ARG A 128 41.976 11.291 3.694 1.00 30.98 O ATOM 986 CB ARG A 128 43.047 8.304 3.707 1.00 30.82 C ATOM 987 CG ARG A 128 43.231 6.886 4.280 1.00 34.25 C ATOM 988 CD ARG A 128 43.833 6.911 5.651 1.00 33.59 C ATOM 989 NE ARG A 128 45.246 7.263 5.636 1.00 37.63 N ATOM 990 CZ ARG A 128 45.862 8.258 6.281 1.00 38.37 C ATOM 991 NH1 ARG A 128 45.241 9.069 7.151 1.00 38.97 N ATOM 992 NH2 ARG A 128 47.134 8.554 5.973 1.00 40.22 N ATOM 993 N LEU A 129 41.289 10.715 5.771 1.00 26.05 N ATOM 994 CA LEU A 129 41.094 12.084 6.273 1.00 26.89 C ATOM 995 C LEU A 129 42.119 12.382 7.370 1.00 29.58 C ATOM 996 O LEU A 129 41.730 12.276 8.559 1.00 33.54 O ATOM 997 CB LEU A 129 39.635 12.335 6.646 1.00 26.31 C ATOM 998 CG LEU A 129 38.689 12.917 5.620 1.00 23.49 C ATOM 999 CD1 LEU A 129 39.112 12.657 4.191 1.00 26.43 C ATOM 1000 CD2 LEU A 129 37.310 12.325 5.886 1.00 25.15 C ATOM 1001 OXT LEU A 129 43.232 12.675 6.905 1.00 34.20 O TER 1002 LEU A 129 HETATM 1003 O HOH A 130 23.434 40.063 -6.661 1.00 19.48 O HETATM 1004 O HOH A 131 31.994 26.416 -6.047 0.90 22.43 O HETATM 1005 O HOH A 132 30.250 13.337 9.787 0.98 20.93 O HETATM 1006 O HOH A 133 22.384 42.331 -8.165 0.90 21.85 O HETATM 1007 O HOH A 134 29.239 27.621 -3.670 1.00 17.47 O HETATM 1008 O HOH A 135 29.464 37.761 -10.492 0.98 20.05 O HETATM 1009 O HOH A 136 20.807 36.305 -11.082 1.00 18.47 O HETATM 1010 O HOH A 137 41.318 17.849 -1.378 0.98 20.99 O HETATM 1011 O HOH A 138 34.697 29.056 -4.039 0.89 22.31 O HETATM 1012 O HOH A 139 26.871 17.298 13.496 1.00 20.31 O HETATM 1013 O HOH A 140 32.131 11.050 -5.817 0.97 21.39 O HETATM 1014 O HOH A 141 23.468 40.040 -2.372 0.91 23.40 O HETATM 1015 O HOH A 142 21.390 45.524 -11.035 0.96 20.63 O HETATM 1016 O HOH A 143 34.490 26.578 -5.741 0.75 22.11 O HETATM 1017 O HOH A 144 16.422 34.139 -3.527 0.91 20.71 O HETATM 1018 O HOH A 145 21.374 29.926 8.946 0.83 24.21 O HETATM 1019 O HOH A 146 41.048 12.539 -0.011 0.70 22.71 O HETATM 1020 O HOH A 147 32.794 35.686 2.558 0.78 20.71 O HETATM 1021 O HOH A 148 49.648 8.964 6.343 0.83 21.93 O HETATM 1022 O HOH A 149 14.452 34.901 -13.339 0.69 23.89 O HETATM 1023 O HOH A 150 22.930 10.839 4.044 0.92 22.02 O HETATM 1024 O HOH A 151 16.012 18.490 -2.200 0.85 24.37 O HETATM 1025 O HOH A 152 12.130 21.587 3.044 0.78 24.35 O HETATM 1026 O HOH A 153 15.684 38.922 -5.813 0.76 24.50 O HETATM 1027 O HOH A 154 10.652 24.228 3.428 0.80 21.12 O HETATM 1028 O HOH A 155 44.070 17.975 2.852 0.80 21.64 O HETATM 1029 O HOH A 156 32.029 13.080 -8.110 0.85 20.63 O HETATM 1030 O HOH A 157 36.425 19.613 15.174 0.56 23.44 O HETATM 1031 O HOH A 158 37.941 30.505 -3.686 0.79 21.54 O HETATM 1032 O HOH A 159 30.710 42.741 -6.289 0.72 22.79 O HETATM 1033 O HOH A 160 23.922 44.367 -7.653 0.62 22.78 O HETATM 1034 O HOH A 161 33.829 34.252 0.626 0.73 20.81 O HETATM 1035 O HOH A 162 29.613 40.730 -9.602 0.78 22.12 O HETATM 1036 O HOH A 163 23.563 7.995 4.406 0.58 22.93 O HETATM 1037 O HOH A 164 31.511 42.362 -4.183 0.73 22.01 O HETATM 1038 O HOH A 165 21.882 29.536 -15.013 0.81 22.04 O HETATM 1039 O HOH A 166 37.763 20.913 9.782 0.86 21.57 O HETATM 1040 O HOH A 167 42.338 17.481 5.165 0.65 22.17 O HETATM 1041 O HOH A 168 23.344 39.739 -4.358 0.72 21.56 O HETATM 1042 O HOH A 169 22.984 29.224 13.124 0.75 22.56 O HETATM 1043 O HOH A 170 30.778 7.794 -3.514 0.65 21.58 O HETATM 1044 O HOH A 171 42.965 14.657 4.991 0.63 23.91 O HETATM 1045 O HOH A 172 36.927 17.948 -13.093 0.62 23.36 O HETATM 1046 O HOH A 173 35.412 25.852 -11.575 0.58 23.42 O HETATM 1047 O HOH A 174 37.428 32.540 -5.787 0.62 21.98 O HETATM 1048 O HOH A 175 37.317 8.592 7.456 0.64 22.92 O HETATM 1049 O HOH A 176 9.314 36.705 -11.546 0.69 23.77 O HETATM 1050 O HOH A 177 39.972 23.760 -2.655 0.86 18.96 O HETATM 1051 O HOH A 178 22.128 30.274 -0.543 0.76 18.78 O HETATM 1052 O HOH A 179 22.244 15.813 10.000 0.68 19.66 O HETATM 1053 O HOH A 180 40.729 9.223 0.292 0.64 20.15 O HETATM 1054 O HOH A 181 12.500 15.267 4.097 0.56 20.12 O HETATM 1055 O HOH A 182 20.372 28.618 -2.353 0.64 20.17 O HETATM 1056 O HOH A 183 22.793 15.462 -6.673 0.63 20.60 O HETATM 1057 O HOH A 184 23.138 31.809 15.121 0.55 20.90 O HETATM 1058 O HOH A 185 22.671 38.691 8.245 0.48 21.16 O HETATM 1059 O HOH A 186 33.966 33.112 6.837 0.59 19.45 O HETATM 1060 O HOH A 187 19.572 25.423 -1.420 0.53 19.94 O HETATM 1061 O HOH A 188 14.790 15.672 7.259 0.52 21.22 O HETATM 1062 O HOH A 189 19.112 28.022 -14.647 0.49 19.83 O HETATM 1063 O HOH A 190 17.302 39.059 -12.453 0.52 20.14 O HETATM 1064 O HOH A 191 16.198 14.502 5.577 0.46 20.78 O HETATM 1065 O HOH A 192 17.345 46.346 -7.080 0.50 18.13 O HETATM 1066 O HOH A 193 14.992 31.300 -4.242 0.46 17.90 O HETATM 1067 O HOH A 194 28.196 44.775 -3.148 0.44 18.15 O HETATM 1068 O HOH A 195 29.479 13.863 -9.107 0.44 18.30 O HETATM 1069 O HOH A 196 23.613 44.811 2.608 0.45 17.66 O HETATM 1070 O HOH A 197 40.572 22.184 -6.358 0.42 18.06 O HETATM 1071 O HOH A 198 12.475 31.860 -6.226 0.47 17.85 O HETATM 1072 O HOH A 199 16.684 13.594 -5.832 0.31 18.51 O HETATM 1073 O HOH A 200 27.534 38.059 -12.862 0.48 18.19 O HETATM 1074 O HOH A 201 25.892 35.973 11.563 0.46 18.15 O HETATM 1075 O HOH A 202 24.790 25.182 16.063 0.46 17.64 O HETATM 1076 O HOH A 203 12.580 21.214 5.006 0.51 17.97 O HETATM 1077 O HOH A 204 19.687 23.750 -4.851 0.37 18.08 O HETATM 1078 O HOH A 205 27.098 35.956 -12.358 0.39 18.71 O HETATM 1079 O HOH A 206 37.255 9.634 10.002 0.46 18.39 O HETATM 1080 O HOH A 207 43.755 23.843 8.038 0.38 17.96 O CONECT 48 981 CONECT 238 889 CONECT 513 630 CONECT 601 724 CONECT 630 513 CONECT 724 601 CONECT 889 238 CONECT 981 48 MASTER 290 0 0 8 2 0 0 6 1079 1 8 10 END