diff --git a/1j6z.pdb b/1j6z.pdb deleted file mode 100644 index 232b949..0000000 --- a/1j6z.pdb +++ /dev/null @@ -1,4048 +0,0 @@ -HEADER CONTRACTILE PROTEIN 15-MAY-01 1J6Z -TITLE UNCOMPLEXED ACTIN -COMPND MOL_ID: 1; -COMPND 2 MOLECULE: ACTIN ALPHA 1; -COMPND 3 CHAIN: A -SOURCE MOL_ID: 1; -SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; -SOURCE 3 ORGANISM_COMMON: RABBIT; -SOURCE 4 ORGANISM_TAXID: 9986; -SOURCE 5 OTHER_DETAILS: MUSCLE -KEYWDS ACTIN, TETRAMETHYLRHODAMINE-5-MALEIMIDE, ADP-STATE, CONTRACTILE -KEYWDS 2 PROTEIN -EXPDTA X-RAY DIFFRACTION -AUTHOR L.R.OTTERBEIN,P.GRACEFFA,R.DOMINGUEZ -REVDAT 4 04-OCT-17 1J6Z 1 REMARK -REVDAT 3 24-FEB-09 1J6Z 1 VERSN -REVDAT 2 25-MAR-03 1J6Z 1 FORMUL REMARK -REVDAT 1 15-AUG-01 1J6Z 0 -JRNL AUTH L.R.OTTERBEIN,P.GRACEFFA,R.DOMINGUEZ -JRNL TITL THE CRYSTAL STRUCTURE OF UNCOMPLEXED ACTIN IN THE ADP STATE. -JRNL REF SCIENCE V. 293 708 2001 -JRNL REFN ISSN 0036-8075 -JRNL PMID 11474115 -JRNL DOI 10.1126/SCIENCE.1059700 -REMARK 2 -REMARK 2 RESOLUTION. 1.54 ANGSTROMS. -REMARK 3 -REMARK 3 REFINEMENT. -REMARK 3 PROGRAM : REFMAC -REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON -REMARK 3 -REMARK 3 DATA USED IN REFINEMENT. -REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.54 -REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 82.00 -REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL -REMARK 3 COMPLETENESS FOR RANGE (%) : 97.0 -REMARK 3 NUMBER OF REFLECTIONS : 48118 -REMARK 3 -REMARK 3 FIT TO DATA USED IN REFINEMENT. -REMARK 3 CROSS-VALIDATION METHOD : FREE R-FACTOR -REMARK 3 FREE R VALUE TEST SET SELECTION : REFLECTIONS RANDOMLY SELECTED -REMARK 3 R VALUE (WORKING + TEST SET) : 0.179 -REMARK 3 R VALUE (WORKING SET) : 0.179 -REMARK 3 FREE R VALUE : 0.223 -REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 -REMARK 3 FREE R VALUE TEST SET COUNT : 2435 -REMARK 3 -REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. -REMARK 3 PROTEIN ATOMS : 2878 -REMARK 3 NUCLEIC ACID ATOMS : 0 -REMARK 3 HETEROGEN ATOMS : 63 -REMARK 3 SOLVENT ATOMS : 404 -REMARK 3 -REMARK 3 B VALUES. -REMARK 3 FROM WILSON PLOT (A**2) : NULL -REMARK 3 MEAN B VALUE (OVERALL, A**2) : 18.27 -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 OVERALL COORDINATE ERROR. -REMARK 3 ESU BASED ON R VALUE (A): NULL -REMARK 3 ESU BASED ON FREE R VALUE (A): NULL -REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): NULL -REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL -REMARK 3 -REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. -REMARK 3 DISTANCE RESTRAINTS. RMS SIGMA -REMARK 3 BOND LENGTH (A) : NULL ; NULL -REMARK 3 ANGLE DISTANCE (A) : NULL ; NULL -REMARK 3 INTRAPLANAR 1-4 DISTANCE (A) : NULL ; NULL -REMARK 3 H-BOND OR METAL COORDINATION (A) : NULL ; NULL -REMARK 3 -REMARK 3 PLANE RESTRAINT (A) : NULL ; NULL -REMARK 3 CHIRAL-CENTER RESTRAINT (A**3) : NULL ; NULL -REMARK 3 -REMARK 3 NON-BONDED CONTACT RESTRAINTS. -REMARK 3 SINGLE TORSION (A) : NULL ; NULL -REMARK 3 MULTIPLE TORSION (A) : NULL ; NULL -REMARK 3 H-BOND (X...Y) (A) : NULL ; NULL -REMARK 3 H-BOND (X-H...Y) (A) : NULL ; NULL -REMARK 3 -REMARK 3 CONFORMATIONAL TORSION ANGLE RESTRAINTS. -REMARK 3 SPECIFIED (DEGREES) : NULL ; NULL -REMARK 3 PLANAR (DEGREES) : NULL ; NULL -REMARK 3 STAGGERED (DEGREES) : NULL ; NULL -REMARK 3 TRANSVERSE (DEGREES) : NULL ; NULL -REMARK 3 -REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA -REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL -REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL -REMARK 3 -REMARK 3 OTHER REFINEMENT REMARKS: NULL -REMARK 4 -REMARK 4 1J6Z COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 -REMARK 100 -REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-MAY-01. -REMARK 100 THE DEPOSITION ID IS D_1000013437. -REMARK 200 -REMARK 200 EXPERIMENTAL DETAILS -REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION -REMARK 200 DATE OF DATA COLLECTION : 07-DEC-00; 02-SEP-00 -REMARK 200 TEMPERATURE (KELVIN) : 100.0; NULL -REMARK 200 PH : 7.00 -REMARK 200 NUMBER OF CRYSTALS USED : 1 -REMARK 200 -REMARK 200 SYNCHROTRON (Y/N) : Y; Y -REMARK 200 RADIATION SOURCE : APS; APS -REMARK 200 BEAMLINE : 14-BM-C; 17-ID -REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL -REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M -REMARK 200 WAVELENGTH OR RANGE (A) : 1.0; 1 -REMARK 200 MONOCHROMATOR : BEND CYLINDRICAL GE(III); -REMARK 200 CRYOGENICALLY COOLED SI(111) -REMARK 200 OPTICS : BENT CONICAL SI-MIRROR; NULL -REMARK 200 -REMARK 200 DETECTOR TYPE : CCD; CCD -REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 4; MARRESEARCH -REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 -REMARK 200 DATA SCALING SOFTWARE : HKL-2000 -REMARK 200 -REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 48139 -REMARK 200 RESOLUTION RANGE HIGH (A) : 1.540 -REMARK 200 RESOLUTION RANGE LOW (A) : 82.000 -REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL -REMARK 200 -REMARK 200 OVERALL. -REMARK 200 COMPLETENESS FOR RANGE (%) : 96.6 -REMARK 200 DATA REDUNDANCY : 7.600 -REMARK 200 R MERGE (I) : 0.06100 -REMARK 200 R SYM (I) : NULL -REMARK 200 FOR THE DATA SET : 23.3000 -REMARK 200 -REMARK 200 IN THE HIGHEST RESOLUTION SHELL. -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.54 -REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.61 -REMARK 200 COMPLETENESS FOR SHELL (%) : 94.2 -REMARK 200 DATA REDUNDANCY IN SHELL : 5.50 -REMARK 200 R MERGE FOR SHELL (I) : 0.30800 -REMARK 200 R SYM FOR SHELL (I) : NULL -REMARK 200 FOR SHELL : NULL -REMARK 200 -REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; SINGLE WAVELENGTH -REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT -REMARK 200 SOFTWARE USED: AMORE -REMARK 200 STARTING MODEL: 1ATN.PDB -REMARK 200 -REMARK 200 REMARK: NULL -REMARK 280 -REMARK 280 CRYSTAL -REMARK 280 SOLVENT CONTENT, VS (%): 40.00 -REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.05 -REMARK 280 -REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 2000 MONOMETHYLETHER 22%, CALCIUM -REMARK 280 ACETATE 200MM, TRIS 10MM (PH 7), PH 7.00, VAPOR DIFFUSION, -REMARK 280 HANGING DROP, TEMPERATURE 293K -REMARK 290 -REMARK 290 CRYSTALLOGRAPHIC SYMMETRY -REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 -REMARK 290 -REMARK 290 SYMOP SYMMETRY -REMARK 290 NNNMMM OPERATOR -REMARK 290 1555 X,Y,Z -REMARK 290 2555 -X,Y,-Z -REMARK 290 3555 X+1/2,Y+1/2,Z -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 0.00000 -REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 -REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 -REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 56.40400 -REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 18.74900 -REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 -REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 56.40400 -REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 18.74900 -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 465 -REMARK 465 MISSING RESIDUES -REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE -REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN -REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) -REMARK 465 -REMARK 465 M RES C SSSEQI -REMARK 465 ASP A 1 -REMARK 465 GLU A 2 -REMARK 465 ASP A 3 -REMARK 465 LYS A 373 -REMARK 465 CYS A 374 -REMARK 465 PHE A 375 -REMARK 470 -REMARK 470 MISSING ATOM -REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 470 I=INSERTION CODE): -REMARK 470 M RES CSSEQI ATOMS -REMARK 470 GLU A 4 CG CD OE1 OE2 -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 ASP A 25 CB - CG - OD1 ANGL. DEV. = 5.8 DEGREES -REMARK 500 ARG A 28 NH1 - CZ - NH2 ANGL. DEV. = 8.1 DEGREES -REMARK 500 ARG A 28 NE - CZ - NH1 ANGL. DEV. = -3.1 DEGREES -REMARK 500 ARG A 28 NE - CZ - NH2 ANGL. DEV. = -5.0 DEGREES -REMARK 500 ASP A 51 CA - CB - CG ANGL. DEV. = 18.2 DEGREES -REMARK 500 ASP A 51 CB - CG - OD2 ANGL. DEV. = 7.1 DEGREES -REMARK 500 ARG A 62 NE - CZ - NH2 ANGL. DEV. = -6.5 DEGREES -REMARK 500 TYR A 69 CB - CG - CD2 ANGL. DEV. = -4.5 DEGREES -REMARK 500 TYR A 143 CB - CG - CD2 ANGL. DEV. = -4.3 DEGREES -REMARK 500 TYR A 143 CB - CG - CD1 ANGL. DEV. = 4.3 DEGREES -REMARK 500 ARG A 147 CA - CB - CG ANGL. DEV. = 13.2 DEGREES -REMARK 500 ARG A 147 CG - CD - NE ANGL. DEV. = 19.9 DEGREES -REMARK 500 ASP A 179 CB - CG - OD1 ANGL. DEV. = 6.0 DEGREES -REMARK 500 ARG A 183 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES -REMARK 500 ARG A 183 NE - CZ - NH2 ANGL. DEV. = -6.1 DEGREES -REMARK 500 ARG A 206 NE - CZ - NH2 ANGL. DEV. = -4.2 DEGREES -REMARK 500 GLU A 224 OE1 - CD - OE2 ANGL. DEV. = -10.6 DEGREES -REMARK 500 PHE A 262 CB - CG - CD1 ANGL. DEV. = -4.2 DEGREES -REMARK 500 ARG A 372 NE - CZ - NH2 ANGL. DEV. = -4.3 DEGREES -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 500 -REMARK 500 GEOMETRY AND STEREOCHEMISTRY -REMARK 500 SUBTOPIC: TORSION ANGLES -REMARK 500 -REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: -REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). -REMARK 500 -REMARK 500 STANDARD TABLE: -REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) -REMARK 500 -REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- -REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 -REMARK 500 -REMARK 500 M RES CSSEQI PSI PHI -REMARK 500 THR A 5 -74.49 -135.99 -REMARK 500 ILE A 64 -61.89 -99.44 -REMARK 500 ALA A 181 -147.82 -160.85 -REMARK 500 VAL A 201 -33.23 -135.52 -REMARK 500 -REMARK 500 REMARK: NULL -REMARK 600 -REMARK 600 HETEROGEN -REMARK 600 THE LIGAND RHO IS MISSING SOME ATOMS -REMARK 600 DUE TO LACK OF ELECTRON DENSITY. -REMARK 610 -REMARK 610 MISSING HETEROATOM -REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; -REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; -REMARK 610 I=INSERTION CODE): -REMARK 610 M RES C SSEQI -REMARK 610 RHO A 1381 -REMARK 620 -REMARK 620 METAL COORDINATION -REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; -REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CA A 382 CA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HOH A1385 O -REMARK 620 2 HOH A1390 O 90.9 -REMARK 620 3 HOH A1392 O 68.5 92.2 -REMARK 620 4 HOH A1398 O 127.8 85.3 59.7 -REMARK 620 5 HOH A1387 O 72.9 101.5 139.1 158.6 -REMARK 620 6 HOH A1388 O 152.6 84.9 138.6 78.9 81.5 -REMARK 620 7 ADP A1380 O1B 100.7 168.3 91.8 87.2 82.5 84.8 -REMARK 620 N 1 2 3 4 5 6 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CA A 383 CA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HOH A1551 O -REMARK 620 2 HOH A1664 O 64.2 -REMARK 620 3 GLU A 205 OE2 146.3 82.1 -REMARK 620 4 HOH A1504 O 80.7 144.3 132.6 -REMARK 620 5 HOH A1530 O 93.5 81.9 80.7 94.3 -REMARK 620 6 HOH A1507 O 67.3 83.0 110.8 89.9 159.4 -REMARK 620 N 1 2 3 4 5 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CA A 384 CA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HOH A1528 O -REMARK 620 2 GLU A 361 OE1 81.5 -REMARK 620 3 GLU A 361 OE2 123.5 47.4 -REMARK 620 4 HOH A1476 O 103.9 81.4 92.3 -REMARK 620 5 HOH A1520 O 85.2 102.4 84.4 170.6 -REMARK 620 6 GLN A 354 O 71.0 146.2 165.2 86.3 94.7 -REMARK 620 7 TRP A 356 O 148.2 129.9 84.7 87.9 83.1 80.6 -REMARK 620 N 1 2 3 4 5 6 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CA A 385 CA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 GLU A 224 OE1 -REMARK 620 2 HOH A1775 O 85.7 -REMARK 620 3 HOH A1744 O 87.2 97.1 -REMARK 620 4 ASP A 222 OD2 82.5 117.8 142.5 -REMARK 620 5 HOH A1486 O 119.8 154.2 87.9 66.9 -REMARK 620 6 ASP A 222 OD1 107.0 81.8 165.6 45.5 87.1 -REMARK 620 N 1 2 3 4 5 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CA A 386 CA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 HOH A1774 O -REMARK 620 2 VAL A 30 O 100.6 -REMARK 620 3 HOH A1745 O 145.4 67.3 -REMARK 620 4 HOH A1773 O 81.6 177.5 110.2 -REMARK 620 5 HOH A1480 O 73.4 77.5 130.0 104.3 -REMARK 620 N 1 2 3 4 -REMARK 620 -REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL -REMARK 620 CA A 387 CA -REMARK 620 N RES CSSEQI ATOM -REMARK 620 1 GLY A 268 O -REMARK 620 2 GLU A 270 OE2 73.3 -REMARK 620 3 HOH A1760 O 131.7 107.1 -REMARK 620 4 VAL A 201 O 79.4 144.2 74.9 -REMARK 620 5 HOH A1482 O 80.5 74.2 147.5 123.6 -REMARK 620 6 HOH A1465 O 98.4 140.2 107.0 65.8 66.0 -REMARK 620 N 1 2 3 4 5 -REMARK 800 -REMARK 800 SITE -REMARK 800 SITE_IDENTIFIER: AC1 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 382 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC2 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 383 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC3 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 384 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC4 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 385 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC5 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 386 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC6 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 387 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC7 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ADP A 1380 -REMARK 800 -REMARK 800 SITE_IDENTIFIER: AC8 -REMARK 800 EVIDENCE_CODE: SOFTWARE -REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE RHO A 1381 -REMARK 900 -REMARK 900 RELATED ENTRIES -REMARK 900 RELATED ID: 1ATN RELATED DB: PDB -REMARK 900 1ATN CONTAINS ACTIN COMPLEXED WITH DNASE I -REMARK 900 RELATED ID: 2BTF RELATED DB: PDB -REMARK 900 2BTF CONTAINS ACTIN COMPLEXED WITH PROFILIN -REMARK 900 RELATED ID: 1DB0 RELATED DB: PDB -REMARK 900 1DB0 CONTAINS ACTIN COMPLEXED WITH GELSOLIN -REMARK 900 RELATED ID: 1DGA RELATED DB: PDB -REMARK 900 1DGA CONTAINS ACTIN COMPLEXED WITH GELSOLIN -REMARK 900 RELATED ID: 1EQY RELATED DB: PDB -REMARK 900 1EQY CONTAINS ACTIN COMPLEXED WITH GELSOLIN -DBREF 1J6Z A 2 375 UNP P68135 ACTS_RABIT 3 377 -SEQADV 1J6Z HIC A 73 UNP P68135 HIS 75 MODIFIED RESIDUE -SEQRES 1 A 375 ASP GLU ASP GLU THR THR ALA LEU VAL CYS ASP ASN GLY -SEQRES 2 A 375 SER GLY LEU VAL LYS ALA GLY PHE ALA GLY ASP ASP ALA -SEQRES 3 A 375 PRO ARG ALA VAL PHE PRO SER ILE VAL GLY ARG PRO ARG -SEQRES 4 A 375 HIS GLN GLY VAL MET VAL GLY MET GLY GLN LYS ASP SER -SEQRES 5 A 375 TYR VAL GLY ASP GLU ALA GLN SER LYS ARG GLY ILE LEU -SEQRES 6 A 375 THR LEU LYS TYR PRO ILE GLU HIC GLY ILE ILE THR ASN -SEQRES 7 A 375 TRP ASP ASP MET GLU LYS ILE TRP HIS HIS THR PHE TYR -SEQRES 8 A 375 ASN GLU LEU ARG VAL ALA PRO GLU GLU HIS PRO THR LEU -SEQRES 9 A 375 LEU THR GLU ALA PRO LEU ASN PRO LYS ALA ASN ARG GLU -SEQRES 10 A 375 LYS MET THR GLN ILE MET PHE GLU THR PHE ASN VAL PRO -SEQRES 11 A 375 ALA MET TYR VAL ALA ILE GLN ALA VAL LEU SER LEU TYR -SEQRES 12 A 375 ALA SER GLY ARG THR THR GLY ILE VAL LEU ASP SER GLY -SEQRES 13 A 375 ASP GLY VAL THR HIS ASN VAL PRO ILE TYR GLU GLY TYR -SEQRES 14 A 375 ALA LEU PRO HIS ALA ILE MET ARG LEU ASP LEU ALA GLY -SEQRES 15 A 375 ARG ASP LEU THR ASP TYR LEU MET LYS ILE LEU THR GLU -SEQRES 16 A 375 ARG GLY TYR SER PHE VAL THR THR ALA GLU ARG GLU ILE -SEQRES 17 A 375 VAL ARG ASP ILE LYS GLU LYS LEU CYS TYR VAL ALA LEU -SEQRES 18 A 375 ASP PHE GLU ASN GLU MET ALA THR ALA ALA SER SER SER -SEQRES 19 A 375 SER LEU GLU LYS SER TYR GLU LEU PRO ASP GLY GLN VAL -SEQRES 20 A 375 ILE THR ILE GLY ASN GLU ARG PHE ARG CYS PRO GLU THR -SEQRES 21 A 375 LEU PHE GLN PRO SER PHE ILE GLY MET GLU SER ALA GLY -SEQRES 22 A 375 ILE HIS GLU THR THR TYR ASN SER ILE MET LYS CYS ASP -SEQRES 23 A 375 ILE ASP ILE ARG LYS ASP LEU TYR ALA ASN ASN VAL MET -SEQRES 24 A 375 SER GLY GLY THR THR MET TYR PRO GLY ILE ALA ASP ARG -SEQRES 25 A 375 MET GLN LYS GLU ILE THR ALA LEU ALA PRO SER THR MET -SEQRES 26 A 375 LYS ILE LYS ILE ILE ALA PRO PRO GLU ARG LYS TYR SER -SEQRES 27 A 375 VAL TRP ILE GLY GLY SER ILE LEU ALA SER LEU SER THR -SEQRES 28 A 375 PHE GLN GLN MET TRP ILE THR LYS GLN GLU TYR ASP GLU -SEQRES 29 A 375 ALA GLY PRO SER ILE VAL HIS ARG LYS CYS PHE -MODRES 1J6Z HIC A 73 HIS 4-METHYL-HISTIDINE -HET HIC A 73 11 -HET CA A 382 1 -HET CA A 383 1 -HET CA A 384 1 -HET CA A 385 1 -HET CA A 386 1 -HET CA A 387 1 -HET ADP A1380 27 -HET RHO A1381 30 -HETNAM HIC 4-METHYL-HISTIDINE -HETNAM CA CALCIUM ION -HETNAM ADP ADENOSINE-5'-DIPHOSPHATE -HETNAM RHO TETRAMETHYLRHODAMINE-5-MALEIMIDE -HETSYN RHO TMR -FORMUL 1 HIC C7 H11 N3 O2 -FORMUL 2 CA 6(CA 2+) -FORMUL 8 ADP C10 H15 N5 O10 P2 -FORMUL 9 RHO C28 H25 N3 O5 -FORMUL 10 HOH *404(H2 O) -HELIX 1 1 HIS A 40 MET A 47 1 8 -HELIX 2 2 GLY A 55 LYS A 61 1 7 -HELIX 3 3 ASN A 78 ASN A 92 1 15 -HELIX 4 4 ALA A 97 HIS A 101 5 5 -HELIX 5 5 PRO A 112 THR A 126 1 15 -HELIX 6 6 GLN A 137 SER A 145 1 9 -HELIX 7 7 PRO A 172 ILE A 175 5 4 -HELIX 8 8 ALA A 181 GLU A 195 1 15 -HELIX 9 9 THR A 202 CYS A 217 1 16 -HELIX 10 10 ASP A 222 ALA A 231 1 10 -HELIX 11 11 ASN A 252 THR A 260 1 9 -HELIX 12 12 LEU A 261 PHE A 262 5 2 -HELIX 13 13 GLN A 263 GLY A 268 5 6 -HELIX 14 14 GLY A 273 MET A 283 1 11 -HELIX 15 15 LYS A 284 CYS A 285 5 2 -HELIX 16 16 ASP A 286 ASP A 288 5 3 -HELIX 17 17 ILE A 289 ALA A 295 1 7 -HELIX 18 18 GLY A 301 MET A 305 5 5 -HELIX 19 19 GLY A 308 ALA A 321 1 14 -HELIX 20 20 GLU A 334 LYS A 336 5 3 -HELIX 21 21 TYR A 337 SER A 348 1 12 -HELIX 22 22 LEU A 349 GLN A 353 5 5 -HELIX 23 23 PHE A 352 TRP A 356 5 5 -HELIX 24 24 LYS A 359 GLY A 366 1 8 -HELIX 25 25 PRO A 367 HIS A 371 5 5 -SHEET 1 A 6 ALA A 29 PRO A 32 0 -SHEET 2 A 6 LEU A 16 PHE A 21 -1 N VAL A 17 O PHE A 31 -SHEET 3 A 6 LEU A 8 ASN A 12 -1 N VAL A 9 O GLY A 20 -SHEET 4 A 6 THR A 103 GLU A 107 1 O LEU A 104 N CYS A 10 -SHEET 5 A 6 ALA A 131 ILE A 136 1 O ALA A 131 N THR A 103 -SHEET 6 A 6 ILE A 357 THR A 358 -1 N ILE A 357 O MET A 132 -SHEET 1 B 3 TYR A 53 VAL A 54 0 -SHEET 2 B 3 VAL A 35 ARG A 37 -1 N GLY A 36 O TYR A 53 -SHEET 3 B 3 THR A 66 LYS A 68 -1 N THR A 66 O ARG A 37 -SHEET 1 C 5 ILE A 329 ILE A 330 0 -SHEET 2 C 5 ASN A 297 SER A 300 1 O ASN A 297 N ILE A 330 -SHEET 3 C 5 GLY A 150 SER A 155 1 O ILE A 151 N VAL A 298 -SHEET 4 C 5 THR A 160 TYR A 166 -1 N HIS A 161 O ASP A 154 -SHEET 5 C 5 TYR A 169 ALA A 170 -1 O TYR A 169 N TYR A 166 -SHEET 1 D 5 ILE A 329 ILE A 330 0 -SHEET 2 D 5 ASN A 297 SER A 300 1 O ASN A 297 N ILE A 330 -SHEET 3 D 5 GLY A 150 SER A 155 1 O ILE A 151 N VAL A 298 -SHEET 4 D 5 THR A 160 TYR A 166 -1 N HIS A 161 O ASP A 154 -SHEET 5 D 5 MET A 176 LEU A 178 -1 O MET A 176 N ASN A 162 -SHEET 1 E 2 LYS A 238 GLU A 241 0 -SHEET 2 E 2 VAL A 247 ILE A 250 -1 N ILE A 248 O TYR A 240 -LINK C GLU A 72 N HIC A 73 1555 1555 1.35 -LINK C HIC A 73 N GLY A 74 1555 1555 1.33 -LINK CA CA A 382 O HOH A1385 1555 1555 2.40 -LINK CA CA A 382 O HOH A1390 1555 1555 2.36 -LINK CA CA A 382 O HOH A1392 1555 1555 2.87 -LINK CA CA A 382 O HOH A1398 1555 1555 2.42 -LINK CA CA A 382 O HOH A1387 1555 1555 2.43 -LINK CA CA A 382 O HOH A1388 1555 1555 2.45 -LINK CA CA A 382 O1B ADP A1380 1555 1555 2.43 -LINK CA CA A 383 O HOH A1551 1555 1555 3.02 -LINK CA CA A 383 O HOH A1664 1555 1555 2.89 -LINK CA CA A 383 OE2 GLU A 205 1555 1555 2.72 -LINK CA CA A 383 O HOH A1504 1555 1555 2.54 -LINK CA CA A 383 O HOH A1530 1555 1555 2.51 -LINK CA CA A 384 O HOH A1528 1555 1555 2.67 -LINK CA CA A 384 OE1 GLU A 361 1555 1555 2.83 -LINK CA CA A 384 OE2 GLU A 361 1555 1555 2.77 -LINK CA CA A 384 O HOH A1476 1555 1555 2.71 -LINK CA CA A 384 O HOH A1520 1555 1555 2.87 -LINK CA CA A 384 O GLN A 354 1555 1555 2.61 -LINK CA CA A 384 O TRP A 356 1555 1555 2.56 -LINK CA CA A 385 OE1 GLU A 224 1555 1555 2.82 -LINK CA CA A 385 O HOH A1775 1555 1555 2.76 -LINK CA CA A 385 O HOH A1744 1555 1555 2.67 -LINK CA CA A 385 OD2 ASP A 222 1555 1555 2.89 -LINK CA CA A 385 O HOH A1486 1555 1555 2.49 -LINK CA CA A 385 OD1 ASP A 222 1555 1555 2.86 -LINK CA CA A 386 O HOH A1774 1555 1555 2.21 -LINK CA CA A 386 O VAL A 30 1555 1555 2.70 -LINK CA CA A 386 O HOH A1745 1555 1555 2.77 -LINK CA CA A 386 O HOH A1773 1555 1555 2.56 -LINK CA CA A 386 O HOH A1480 1555 1555 2.78 -LINK CA CA A 387 O GLY A 268 1555 1555 2.50 -LINK CA CA A 387 OE2 GLU A 270 1555 1555 3.35 -LINK CA CA A 387 O HOH A1760 1555 1555 1.80 -LINK CA CA A 383 O HOH A1507 1555 4556 2.77 -LINK CA CA A 387 O VAL A 201 1555 4546 2.68 -LINK CA CA A 387 O HOH A1482 1555 1545 2.29 -LINK CA CA A 387 O HOH A1465 1555 4546 2.66 -SITE 1 AC1 7 ADP A1380 HOH A1385 HOH A1387 HOH A1388 -SITE 2 AC1 7 HOH A1390 HOH A1392 HOH A1398 -SITE 1 AC2 6 GLU A 205 HOH A1504 HOH A1507 HOH A1530 -SITE 2 AC2 6 HOH A1551 HOH A1664 -SITE 1 AC3 6 GLN A 354 TRP A 356 GLU A 361 HOH A1476 -SITE 2 AC3 6 HOH A1520 HOH A1528 -SITE 1 AC4 5 ASP A 222 GLU A 224 HOH A1486 HOH A1744 -SITE 2 AC4 5 HOH A1775 -SITE 1 AC5 5 VAL A 30 HOH A1480 HOH A1745 HOH A1773 -SITE 2 AC5 5 HOH A1774 -SITE 1 AC6 6 VAL A 201 GLY A 268 GLU A 270 HOH A1465 -SITE 2 AC6 6 HOH A1482 HOH A1760 -SITE 1 AC7 24 GLY A 13 SER A 14 GLY A 15 LEU A 16 -SITE 2 AC7 24 LYS A 18 GLY A 156 ASP A 157 GLY A 182 -SITE 3 AC7 24 LYS A 213 GLU A 214 GLY A 301 GLY A 302 -SITE 4 AC7 24 THR A 303 MET A 305 TYR A 306 LYS A 336 -SITE 5 AC7 24 CA A 382 HOH A1382 HOH A1388 HOH A1389 -SITE 6 AC7 24 HOH A1398 HOH A1415 HOH A1447 HOH A1563 -SITE 1 AC8 9 TYR A 133 TYR A 143 THR A 148 LEU A 346 -SITE 2 AC8 9 PHE A 352 MET A 355 TRP A 356 HOH A1498 -SITE 3 AC8 9 HOH A1622 -CRYST1 112.808 37.498 85.261 90.00 108.26 90.00 C 1 2 1 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 0.008865 0.000000 0.002925 0.00000 -SCALE2 0.000000 0.026668 -0.000001 0.00000 -SCALE3 0.000000 0.000000 0.012350 0.00000 -ATOM 1 N GLU A 4 -16.021 11.749 6.951 1.00 46.20 N -ATOM 2 CA GLU A 4 -14.630 11.239 6.884 1.00 45.46 C -ATOM 3 C GLU A 4 -13.659 12.259 6.330 1.00 44.74 C -ATOM 4 O GLU A 4 -13.773 12.592 5.142 1.00 45.79 O -ATOM 5 CB GLU A 4 -14.572 9.968 6.062 1.00 45.57 C -ATOM 6 N THR A 5 -12.727 12.773 7.129 1.00 43.39 N -ATOM 7 CA THR A 5 -11.755 13.735 6.622 1.00 40.61 C -ATOM 8 C THR A 5 -10.350 13.416 7.122 1.00 37.13 C -ATOM 9 O THR A 5 -9.538 12.896 6.341 1.00 37.94 O -ATOM 10 CB THR A 5 -12.113 15.199 6.904 1.00 41.78 C -ATOM 11 OG1 THR A 5 -13.423 15.513 6.415 1.00 42.77 O -ATOM 12 CG2 THR A 5 -11.151 16.158 6.215 1.00 42.62 C -ATOM 13 N THR A 6 -10.038 13.684 8.391 1.00 31.88 N -ATOM 14 CA THR A 6 -8.665 13.444 8.856 1.00 27.37 C -ATOM 15 C THR A 6 -8.587 12.271 9.824 1.00 22.51 C -ATOM 16 O THR A 6 -9.219 12.355 10.875 1.00 21.97 O -ATOM 17 CB THR A 6 -8.140 14.719 9.541 1.00 29.99 C -ATOM 18 OG1 THR A 6 -7.842 15.726 8.544 1.00 32.05 O -ATOM 19 CG2 THR A 6 -6.839 14.477 10.303 1.00 30.82 C -ATOM 20 N ALA A 7 -7.837 11.233 9.483 1.00 17.45 N -ATOM 21 CA ALA A 7 -7.724 10.073 10.350 1.00 14.38 C -ATOM 22 C ALA A 7 -6.754 10.292 11.509 1.00 12.97 C -ATOM 23 O ALA A 7 -5.783 11.045 11.432 1.00 13.85 O -ATOM 24 CB ALA A 7 -7.276 8.875 9.495 1.00 14.97 C -ATOM 25 N LEU A 8 -7.043 9.582 12.601 1.00 13.21 N -ATOM 26 CA LEU A 8 -6.194 9.593 13.787 1.00 12.31 C -ATOM 27 C LEU A 8 -5.419 8.263 13.860 1.00 12.67 C -ATOM 28 O LEU A 8 -5.944 7.262 13.400 1.00 14.02 O -ATOM 29 CB LEU A 8 -7.005 9.723 15.071 1.00 15.81 C -ATOM 30 CG LEU A 8 -7.894 10.969 15.169 1.00 18.07 C -ATOM 31 CD1 LEU A 8 -8.698 10.882 16.470 1.00 18.69 C -ATOM 32 CD2 LEU A 8 -7.069 12.230 15.091 1.00 20.65 C -ATOM 33 N VAL A 9 -4.208 8.373 14.359 1.00 9.89 N -ATOM 34 CA VAL A 9 -3.389 7.166 14.555 1.00 9.13 C -ATOM 35 C VAL A 9 -3.021 7.119 16.043 1.00 10.56 C -ATOM 36 O VAL A 9 -2.381 8.049 16.544 1.00 9.71 O -ATOM 37 CB VAL A 9 -2.146 7.159 13.663 1.00 10.49 C -ATOM 38 CG1 VAL A 9 -1.307 5.919 13.930 1.00 12.47 C -ATOM 39 CG2 VAL A 9 -2.585 7.144 12.188 1.00 13.56 C -ATOM 40 N CYS A 10 -3.373 6.000 16.715 1.00 10.39 N -ATOM 41 CA CYS A 10 -3.036 5.833 18.130 1.00 10.60 C -ATOM 42 C CYS A 10 -2.230 4.557 18.337 1.00 11.00 C -ATOM 43 O CYS A 10 -2.766 3.450 18.174 1.00 11.24 O -ATOM 44 CB CYS A 10 -4.315 5.830 18.993 1.00 10.36 C -ATOM 45 SG CYS A 10 -3.890 5.832 20.770 1.00 13.96 S -ATOM 46 N ASP A 11 -0.956 4.729 18.625 1.00 10.33 N -ATOM 47 CA ASP A 11 -0.048 3.575 18.847 1.00 10.03 C -ATOM 48 C ASP A 11 0.046 3.370 20.353 1.00 11.90 C -ATOM 49 O ASP A 11 0.687 4.130 21.071 1.00 12.66 O -ATOM 50 CB ASP A 11 1.286 3.919 18.159 1.00 10.85 C -ATOM 51 CG ASP A 11 2.315 2.834 18.482 1.00 10.75 C -ATOM 52 OD1 ASP A 11 1.912 1.682 18.733 1.00 11.55 O -ATOM 53 OD2 ASP A 11 3.536 3.171 18.416 1.00 11.95 O -ATOM 54 N ASN A 12 -0.634 2.322 20.809 1.00 12.89 N -ATOM 55 CA ASN A 12 -0.780 1.976 22.222 1.00 14.91 C -ATOM 56 C ASN A 12 0.443 1.289 22.771 1.00 14.43 C -ATOM 57 O ASN A 12 0.446 0.052 22.882 1.00 19.28 O -ATOM 58 CB ASN A 12 -1.986 0.954 22.230 1.00 15.21 C -ATOM 59 CG ASN A 12 -3.217 1.563 21.597 1.00 16.24 C -ATOM 60 OD1 ASN A 12 -3.673 2.591 22.090 1.00 16.61 O -ATOM 61 ND2 ASN A 12 -3.775 0.992 20.546 1.00 17.73 N -ATOM 62 N GLY A 13 1.500 1.985 23.167 1.00 11.11 N -ATOM 63 CA GLY A 13 2.759 1.362 23.576 1.00 10.20 C -ATOM 64 C GLY A 13 2.728 0.866 25.017 1.00 11.85 C -ATOM 65 O GLY A 13 2.025 1.363 25.906 1.00 12.53 O -ATOM 66 N SER A 14 3.608 -0.103 25.245 1.00 11.36 N -ATOM 67 CA SER A 14 3.762 -0.641 26.600 1.00 10.92 C -ATOM 68 C SER A 14 4.175 0.394 27.637 1.00 11.09 C -ATOM 69 O SER A 14 3.827 0.199 28.816 1.00 11.72 O -ATOM 70 CB SER A 14 4.770 -1.775 26.602 1.00 9.72 C -ATOM 71 OG SER A 14 6.096 -1.395 26.387 1.00 11.17 O -ATOM 72 N GLY A 15 4.901 1.417 27.243 1.00 12.19 N -ATOM 73 CA GLY A 15 5.308 2.466 28.174 1.00 11.03 C -ATOM 74 C GLY A 15 4.863 3.832 27.678 1.00 11.80 C -ATOM 75 O GLY A 15 4.714 4.756 28.499 1.00 11.51 O -ATOM 76 N LEU A 16 4.758 4.019 26.369 1.00 9.39 N -ATOM 77 CA LEU A 16 4.367 5.333 25.821 1.00 10.00 C -ATOM 78 C LEU A 16 3.241 5.187 24.780 1.00 9.33 C -ATOM 79 O LEU A 16 3.340 4.375 23.872 1.00 10.34 O -ATOM 80 CB LEU A 16 5.542 6.031 25.144 1.00 11.46 C -ATOM 81 CG LEU A 16 6.730 6.391 26.041 1.00 14.19 C -ATOM 82 CD1 LEU A 16 7.883 6.902 25.192 1.00 14.30 C -ATOM 83 CD2 LEU A 16 6.295 7.486 27.021 1.00 13.89 C -ATOM 84 N VAL A 17 2.246 6.059 24.913 1.00 9.91 N -ATOM 85 CA VAL A 17 1.228 6.226 23.851 1.00 9.55 C -ATOM 86 C VAL A 17 1.803 7.227 22.860 1.00 9.54 C -ATOM 87 O VAL A 17 2.389 8.237 23.267 1.00 10.11 O -ATOM 88 CB VAL A 17 -0.091 6.794 24.407 1.00 10.17 C -ATOM 89 CG1 VAL A 17 -1.017 7.147 23.233 1.00 11.96 C -ATOM 90 CG2 VAL A 17 -0.670 5.703 25.301 1.00 12.13 C -ATOM 91 N LYS A 18 1.806 6.905 21.572 1.00 9.24 N -ATOM 92 CA LYS A 18 2.179 7.803 20.489 1.00 10.41 C -ATOM 93 C LYS A 18 0.919 8.074 19.689 1.00 9.20 C -ATOM 94 O LYS A 18 0.353 7.112 19.148 1.00 10.58 O -ATOM 95 CB LYS A 18 3.270 7.217 19.580 1.00 10.38 C -ATOM 96 CG LYS A 18 4.665 7.270 20.144 1.00 10.78 C -ATOM 97 CD LYS A 18 5.035 6.322 21.276 1.00 11.22 C -ATOM 98 CE LYS A 18 4.904 4.866 20.858 1.00 11.37 C -ATOM 99 NZ LYS A 18 5.380 3.973 21.989 1.00 11.87 N -ATOM 100 N ALA A 19 0.452 9.333 19.609 1.00 10.08 N -ATOM 101 CA ALA A 19 -0.774 9.558 18.859 1.00 10.53 C -ATOM 102 C ALA A 19 -0.728 10.853 18.060 1.00 11.07 C -ATOM 103 O ALA A 19 0.059 11.732 18.373 1.00 11.51 O -ATOM 104 CB ALA A 19 -1.973 9.606 19.819 1.00 11.31 C -ATOM 105 N GLY A 20 -1.510 10.841 16.996 1.00 10.36 N -ATOM 106 CA GLY A 20 -1.487 12.065 16.153 1.00 11.93 C -ATOM 107 C GLY A 20 -2.428 11.853 14.977 1.00 12.59 C -ATOM 108 O GLY A 20 -3.316 11.021 14.991 1.00 12.76 O -ATOM 109 N PHE A 21 -2.171 12.677 13.962 1.00 12.66 N -ATOM 110 CA PHE A 21 -3.018 12.687 12.768 1.00 12.91 C -ATOM 111 C PHE A 21 -2.306 12.032 11.593 1.00 13.65 C -ATOM 112 O PHE A 21 -1.115 12.227 11.370 1.00 13.91 O -ATOM 113 CB PHE A 21 -3.387 14.140 12.391 1.00 15.12 C -ATOM 114 CG PHE A 21 -4.276 14.810 13.413 1.00 17.86 C -ATOM 115 CD1 PHE A 21 -3.720 15.526 14.461 1.00 19.66 C -ATOM 116 CD2 PHE A 21 -5.651 14.741 13.333 1.00 21.36 C -ATOM 117 CE1 PHE A 21 -4.498 16.156 15.418 1.00 21.34 C -ATOM 118 CE2 PHE A 21 -6.453 15.352 14.280 1.00 23.32 C -ATOM 119 CZ PHE A 21 -5.871 16.056 15.319 1.00 22.16 C -ATOM 120 N ALA A 22 -3.088 11.236 10.864 1.00 13.03 N -ATOM 121 CA ALA A 22 -2.474 10.568 9.696 1.00 15.00 C -ATOM 122 C ALA A 22 -1.930 11.630 8.738 1.00 17.58 C -ATOM 123 O ALA A 22 -2.609 12.631 8.518 1.00 19.31 O -ATOM 124 CB ALA A 22 -3.483 9.729 8.953 1.00 16.81 C -ATOM 125 N GLY A 23 -0.733 11.336 8.208 1.00 18.22 N -ATOM 126 CA GLY A 23 -0.244 12.438 7.303 1.00 21.39 C -ATOM 127 C GLY A 23 0.772 13.289 8.040 1.00 21.80 C -ATOM 128 O GLY A 23 1.653 13.864 7.369 1.00 24.07 O -ATOM 129 N ASP A 24 0.741 13.501 9.354 1.00 19.04 N -ATOM 130 CA ASP A 24 1.825 14.166 10.069 1.00 19.35 C -ATOM 131 C ASP A 24 3.067 13.277 9.971 1.00 17.29 C -ATOM 132 O ASP A 24 3.005 12.050 9.860 1.00 18.02 O -ATOM 133 CB ASP A 24 1.492 14.399 11.535 1.00 19.23 C -ATOM 134 CG ASP A 24 0.399 15.442 11.756 1.00 21.24 C -ATOM 135 OD1 ASP A 24 -0.019 16.063 10.755 1.00 25.13 O -ATOM 136 OD2 ASP A 24 -0.009 15.596 12.918 1.00 23.05 O -ATOM 137 N ASP A 25 4.264 13.854 10.059 1.00 17.22 N -ATOM 138 CA ASP A 25 5.501 13.082 9.949 1.00 17.15 C -ATOM 139 C ASP A 25 5.907 12.345 11.210 1.00 16.77 C -ATOM 140 O ASP A 25 6.750 11.419 11.197 1.00 17.38 O -ATOM 141 CB ASP A 25 6.665 14.029 9.552 1.00 18.63 C -ATOM 142 CG ASP A 25 6.250 14.899 8.377 1.00 20.67 C -ATOM 143 OD1 ASP A 25 5.902 16.098 8.479 1.00 22.07 O -ATOM 144 OD2 ASP A 25 6.289 14.344 7.248 1.00 22.27 O -ATOM 145 N ALA A 26 5.342 12.743 12.342 1.00 14.87 N -ATOM 146 CA ALA A 26 5.647 12.182 13.649 1.00 14.21 C -ATOM 147 C ALA A 26 4.438 12.435 14.543 1.00 13.09 C -ATOM 148 O ALA A 26 3.638 13.299 14.205 1.00 13.71 O -ATOM 149 CB ALA A 26 6.854 12.878 14.280 1.00 17.78 C -ATOM 150 N PRO A 27 4.267 11.683 15.622 1.00 12.25 N -ATOM 151 CA PRO A 27 3.128 11.852 16.516 1.00 12.53 C -ATOM 152 C PRO A 27 3.217 13.168 17.265 1.00 14.56 C -ATOM 153 O PRO A 27 4.318 13.564 17.657 1.00 17.91 O -ATOM 154 CB PRO A 27 3.228 10.665 17.466 1.00 13.20 C -ATOM 155 CG PRO A 27 4.658 10.269 17.425 1.00 13.69 C -ATOM 156 CD PRO A 27 5.183 10.594 16.040 1.00 13.77 C -ATOM 157 N ARG A 28 2.076 13.828 17.371 1.00 13.20 N -ATOM 158 CA ARG A 28 2.053 15.091 18.141 1.00 16.21 C -ATOM 159 C ARG A 28 2.007 14.885 19.644 1.00 17.67 C -ATOM 160 O ARG A 28 2.309 15.806 20.410 1.00 18.55 O -ATOM 161 CB ARG A 28 0.752 15.823 17.800 1.00 20.10 C -ATOM 162 CG ARG A 28 0.848 16.528 16.452 1.00 22.69 C -ATOM 163 CD ARG A 28 -0.541 17.149 16.260 1.00 23.12 C -ATOM 164 NE ARG A 28 -0.773 17.301 14.846 1.00 25.22 N -ATOM 165 CZ ARG A 28 -1.524 18.261 14.328 1.00 24.00 C -ATOM 166 NH1 ARG A 28 -2.094 19.113 15.178 1.00 23.73 N -ATOM 167 NH2 ARG A 28 -1.638 18.240 13.021 1.00 24.61 N -ATOM 168 N ALA A 29 1.481 13.739 20.065 1.00 14.01 N -ATOM 169 CA ALA A 29 1.292 13.458 21.475 1.00 13.47 C -ATOM 170 C ALA A 29 2.043 12.208 21.894 1.00 12.46 C -ATOM 171 O ALA A 29 1.930 11.186 21.220 1.00 13.36 O -ATOM 172 CB ALA A 29 -0.185 13.240 21.765 1.00 14.36 C -ATOM 173 N VAL A 30 2.940 12.326 22.856 1.00 11.52 N -ATOM 174 CA VAL A 30 3.687 11.161 23.355 1.00 11.87 C -ATOM 175 C VAL A 30 3.597 11.150 24.869 1.00 13.37 C -ATOM 176 O VAL A 30 4.106 12.116 25.423 1.00 16.50 O -ATOM 177 CB VAL A 30 5.124 11.145 22.866 1.00 12.85 C -ATOM 178 CG1 VAL A 30 5.801 9.836 23.325 1.00 13.89 C -ATOM 179 CG2 VAL A 30 5.251 11.161 21.340 1.00 12.31 C -ATOM 180 N PHE A 31 2.954 10.260 25.564 1.00 12.06 N -ATOM 181 CA PHE A 31 2.909 10.358 27.033 1.00 11.27 C -ATOM 182 C PHE A 31 2.915 8.970 27.617 1.00 11.91 C -ATOM 183 O PHE A 31 2.590 7.962 26.929 1.00 11.64 O -ATOM 184 CB PHE A 31 1.618 11.092 27.403 1.00 12.37 C -ATOM 185 CG PHE A 31 0.329 10.440 27.039 1.00 13.39 C -ATOM 186 CD1 PHE A 31 -0.295 10.724 25.811 1.00 13.57 C -ATOM 187 CD2 PHE A 31 -0.268 9.508 27.871 1.00 13.57 C -ATOM 188 CE1 PHE A 31 -1.490 10.098 25.496 1.00 13.68 C -ATOM 189 CE2 PHE A 31 -1.440 8.874 27.557 1.00 12.92 C -ATOM 190 CZ PHE A 31 -2.047 9.162 26.339 1.00 14.29 C -ATOM 191 N PRO A 32 3.200 8.822 28.898 1.00 11.34 N -ATOM 192 CA PRO A 32 3.313 7.492 29.501 1.00 11.61 C -ATOM 193 C PRO A 32 2.005 6.747 29.585 1.00 10.76 C -ATOM 194 O PRO A 32 0.973 7.315 29.978 1.00 10.70 O -ATOM 195 CB PRO A 32 3.832 7.766 30.918 1.00 12.03 C -ATOM 196 CG PRO A 32 4.531 9.083 30.800 1.00 12.53 C -ATOM 197 CD PRO A 32 3.703 9.881 29.813 1.00 12.78 C -ATOM 198 N SER A 33 2.004 5.422 29.324 1.00 10.92 N -ATOM 199 CA SER A 33 0.807 4.590 29.386 1.00 12.65 C -ATOM 200 C SER A 33 0.574 4.072 30.795 1.00 11.99 C -ATOM 201 O SER A 33 0.688 2.890 31.141 1.00 12.13 O -ATOM 202 CB SER A 33 1.031 3.374 28.469 1.00 15.09 C -ATOM 203 OG SER A 33 1.512 3.826 27.213 1.00 19.61 O -ATOM 204 N ILE A 34 0.304 5.038 31.670 1.00 11.06 N -ATOM 205 CA ILE A 34 0.133 4.831 33.103 1.00 12.06 C -ATOM 206 C ILE A 34 -1.145 5.526 33.564 1.00 11.22 C -ATOM 207 O ILE A 34 -1.420 6.669 33.152 1.00 11.23 O -ATOM 208 CB ILE A 34 1.350 5.464 33.823 1.00 12.11 C -ATOM 209 CG1 ILE A 34 2.678 4.802 33.402 1.00 16.45 C -ATOM 210 CG2 ILE A 34 1.236 5.296 35.357 1.00 15.54 C -ATOM 211 CD1 ILE A 34 3.862 5.546 34.017 1.00 17.44 C -ATOM 212 N VAL A 35 -1.863 4.856 34.466 1.00 12.33 N -ATOM 213 CA VAL A 35 -3.084 5.392 35.049 1.00 11.82 C -ATOM 214 C VAL A 35 -2.896 5.340 36.581 1.00 13.23 C -ATOM 215 O VAL A 35 -2.416 4.311 37.051 1.00 14.68 O -ATOM 216 CB VAL A 35 -4.335 4.611 34.657 1.00 13.14 C -ATOM 217 CG1 VAL A 35 -5.586 5.225 35.339 1.00 14.43 C -ATOM 218 CG2 VAL A 35 -4.643 4.610 33.151 1.00 15.66 C -ATOM 219 N GLY A 36 -3.193 6.443 37.236 1.00 13.96 N -ATOM 220 CA GLY A 36 -3.041 6.413 38.710 1.00 14.32 C -ATOM 221 C GLY A 36 -4.384 6.637 39.395 1.00 14.25 C -ATOM 222 O GLY A 36 -5.210 7.417 38.948 1.00 15.14 O -ATOM 223 N ARG A 37 -4.630 5.876 40.457 1.00 16.37 N -ATOM 224 CA ARG A 37 -5.921 6.016 41.174 1.00 18.31 C -ATOM 225 C ARG A 37 -5.670 6.182 42.669 1.00 17.86 C -ATOM 226 O ARG A 37 -4.829 5.483 43.209 1.00 15.95 O -ATOM 227 CB ARG A 37 -6.719 4.726 40.949 1.00 20.59 C -ATOM 228 CG ARG A 37 -7.198 4.573 39.486 1.00 21.83 C -ATOM 229 CD ARG A 37 -7.820 3.197 39.342 1.00 23.84 C -ATOM 230 NE ARG A 37 -8.117 2.855 37.939 1.00 25.01 N -ATOM 231 CZ ARG A 37 -9.240 3.240 37.358 1.00 25.33 C -ATOM 232 NH1 ARG A 37 -10.144 3.952 38.028 1.00 26.55 N -ATOM 233 NH2 ARG A 37 -9.456 2.899 36.095 1.00 23.66 N -ATOM 234 N PRO A 38 -6.377 7.109 43.296 1.00 19.55 N -ATOM 235 CA PRO A 38 -6.250 7.263 44.748 1.00 20.43 C -ATOM 236 C PRO A 38 -6.650 5.977 45.435 1.00 21.51 C -ATOM 237 O PRO A 38 -7.477 5.210 44.943 1.00 22.04 O -ATOM 238 CB PRO A 38 -7.204 8.398 45.077 1.00 21.66 C -ATOM 239 CG PRO A 38 -7.393 9.138 43.798 1.00 22.96 C -ATOM 240 CD PRO A 38 -7.325 8.071 42.700 1.00 21.22 C -ATOM 241 N ARG A 39 -6.136 5.749 46.666 1.00 21.66 N -ATOM 242 CA ARG A 39 -6.437 4.555 47.427 1.00 22.83 C -ATOM 243 C ARG A 39 -7.389 4.847 48.583 1.00 22.66 C -ATOM 244 O ARG A 39 -7.771 3.949 49.326 1.00 24.20 O -ATOM 245 CB ARG A 39 -5.141 4.048 48.098 1.00 23.86 C -ATOM 246 CG ARG A 39 -4.004 3.740 47.137 1.00 26.50 C -ATOM 247 CD ARG A 39 -2.660 3.634 47.861 1.00 26.89 C -ATOM 248 NE ARG A 39 -1.547 3.651 46.887 1.00 25.82 N -ATOM 249 CZ ARG A 39 -0.269 3.603 47.224 1.00 26.24 C -ATOM 250 NH1 ARG A 39 0.088 3.554 48.499 1.00 26.33 N -ATOM 251 NH2 ARG A 39 0.684 3.634 46.283 1.00 24.77 N -ATOM 252 N HIS A 40 -7.731 6.116 48.707 1.00 20.06 N -ATOM 253 CA HIS A 40 -8.540 6.578 49.842 1.00 21.11 C -ATOM 254 C HIS A 40 -9.417 7.715 49.391 1.00 22.27 C -ATOM 255 O HIS A 40 -8.949 8.572 48.631 1.00 21.03 O -ATOM 256 CB HIS A 40 -7.485 7.017 50.868 1.00 22.64 C -ATOM 257 CG HIS A 40 -7.979 7.424 52.215 1.00 22.21 C -ATOM 258 ND1 HIS A 40 -8.525 8.664 52.466 1.00 23.68 N -ATOM 259 CD2 HIS A 40 -7.957 6.777 53.409 1.00 22.61 C -ATOM 260 CE1 HIS A 40 -8.864 8.760 53.746 1.00 22.36 C -ATOM 261 NE2 HIS A 40 -8.512 7.629 54.326 1.00 21.47 N -ATOM 262 N GLN A 41 -10.681 7.713 49.824 1.00 21.27 N -ATOM 263 CA GLN A 41 -11.631 8.724 49.420 1.00 22.70 C -ATOM 264 C GLN A 41 -11.225 10.125 49.845 1.00 22.37 C -ATOM 265 O GLN A 41 -11.441 11.057 49.086 1.00 22.38 O -ATOM 266 CB GLN A 41 -13.044 8.405 49.930 1.00 24.85 C -ATOM 267 CG GLN A 41 -14.111 9.301 49.312 1.00 27.28 C -ATOM 268 CD GLN A 41 -14.217 9.079 47.810 1.00 29.60 C -ATOM 269 OE1 GLN A 41 -13.898 7.995 47.310 1.00 30.73 O -ATOM 270 NE2 GLN A 41 -14.681 10.101 47.114 1.00 29.53 N -ATOM 271 N GLY A 42 -10.700 10.261 51.070 1.00 22.29 N -ATOM 272 CA GLY A 42 -10.268 11.584 51.517 1.00 21.35 C -ATOM 273 C GLY A 42 -9.149 12.159 50.664 1.00 21.35 C -ATOM 274 O GLY A 42 -9.085 13.355 50.355 1.00 21.53 O -ATOM 275 N VAL A 43 -8.215 11.293 50.272 1.00 21.63 N -ATOM 276 CA VAL A 43 -7.098 11.702 49.423 1.00 22.33 C -ATOM 277 C VAL A 43 -7.629 12.066 48.040 1.00 22.76 C -ATOM 278 O VAL A 43 -7.238 13.075 47.477 1.00 25.17 O -ATOM 279 CB VAL A 43 -6.043 10.602 49.312 1.00 20.62 C -ATOM 280 CG1 VAL A 43 -4.908 11.008 48.353 1.00 20.96 C -ATOM 281 CG2 VAL A 43 -5.443 10.272 50.667 1.00 21.14 C -ATOM 282 N MET A 44 -8.577 11.278 47.531 1.00 24.00 N -ATOM 283 CA MET A 44 -9.209 11.597 46.253 1.00 25.45 C -ATOM 284 C MET A 44 -9.857 12.977 46.244 1.00 25.90 C -ATOM 285 O MET A 44 -9.653 13.768 45.315 1.00 26.28 O -ATOM 286 CB MET A 44 -10.238 10.522 45.962 1.00 27.58 C -ATOM 287 CG MET A 44 -11.107 10.754 44.746 1.00 30.84 C -ATOM 288 SD MET A 44 -11.794 9.224 44.114 1.00 32.68 S -ATOM 289 CE MET A 44 -11.644 8.028 45.409 1.00 34.26 C -ATOM 290 N VAL A 45 -10.688 13.261 47.257 1.00 25.02 N -ATOM 291 CA VAL A 45 -11.335 14.558 47.345 1.00 25.22 C -ATOM 292 C VAL A 45 -10.334 15.667 47.606 1.00 24.21 C -ATOM 293 O VAL A 45 -10.391 16.720 46.974 1.00 25.64 O -ATOM 294 CB VAL A 45 -12.434 14.573 48.434 1.00 25.99 C -ATOM 295 CG1 VAL A 45 -13.031 15.966 48.576 1.00 26.54 C -ATOM 296 CG2 VAL A 45 -13.509 13.554 48.088 1.00 25.78 C -ATOM 297 N GLY A 46 -9.366 15.476 48.497 1.00 23.18 N -ATOM 298 CA GLY A 46 -8.387 16.466 48.879 1.00 23.73 C -ATOM 299 C GLY A 46 -7.437 16.891 47.760 1.00 25.16 C -ATOM 300 O GLY A 46 -6.877 17.987 47.782 1.00 24.70 O -ATOM 301 N MET A 47 -7.248 16.001 46.798 1.00 25.56 N -ATOM 302 CA MET A 47 -6.407 16.267 45.647 1.00 29.23 C -ATOM 303 C MET A 47 -7.245 16.787 44.484 1.00 30.98 C -ATOM 304 O MET A 47 -6.665 17.003 43.418 1.00 31.49 O -ATOM 305 CB MET A 47 -5.603 15.028 45.262 1.00 29.18 C -ATOM 306 CG MET A 47 -4.606 14.672 46.354 1.00 29.86 C -ATOM 307 SD MET A 47 -3.252 13.628 45.783 1.00 31.56 S -ATOM 308 CE MET A 47 -4.162 12.378 44.875 1.00 30.75 C -ATOM 309 N GLY A 48 -8.543 17.027 44.646 1.00 32.33 N -ATOM 310 CA GLY A 48 -9.321 17.620 43.563 1.00 34.18 C -ATOM 311 C GLY A 48 -10.505 16.841 43.069 1.00 35.38 C -ATOM 312 O GLY A 48 -11.081 17.135 42.012 1.00 37.04 O -ATOM 313 N GLN A 49 -10.851 15.726 43.693 1.00 36.48 N -ATOM 314 CA GLN A 49 -11.988 14.897 43.352 1.00 37.70 C -ATOM 315 C GLN A 49 -11.815 14.079 42.083 1.00 37.78 C -ATOM 316 O GLN A 49 -12.764 13.390 41.691 1.00 38.51 O -ATOM 317 CB GLN A 49 -13.278 15.729 43.288 1.00 38.92 C -ATOM 318 CG GLN A 49 -13.694 16.236 44.666 1.00 40.09 C -ATOM 319 CD GLN A 49 -15.179 16.149 44.921 1.00 40.62 C -ATOM 320 OE1 GLN A 49 -15.679 15.127 45.394 1.00 41.23 O -ATOM 321 NE2 GLN A 49 -15.890 17.226 44.606 1.00 41.76 N -ATOM 322 N LYS A 50 -10.632 14.096 41.477 1.00 37.11 N -ATOM 323 CA LYS A 50 -10.399 13.308 40.269 1.00 36.75 C -ATOM 324 C LYS A 50 -10.256 11.838 40.648 1.00 35.76 C -ATOM 325 O LYS A 50 -9.469 11.383 41.470 1.00 34.06 O -ATOM 326 CB LYS A 50 -9.182 13.790 39.506 1.00 37.87 C -ATOM 327 CG LYS A 50 -9.194 15.153 38.823 1.00 38.99 C -ATOM 328 CD LYS A 50 -7.776 15.463 38.374 1.00 39.98 C -ATOM 329 CE LYS A 50 -7.524 16.764 37.653 1.00 41.27 C -ATOM 330 NZ LYS A 50 -6.210 16.717 36.921 1.00 41.51 N -ATOM 331 N ASP A 51 -11.023 11.012 39.963 1.00 34.89 N -ATOM 332 CA ASP A 51 -11.106 9.567 40.075 1.00 34.51 C -ATOM 333 C ASP A 51 -9.819 8.887 39.622 1.00 31.82 C -ATOM 334 O ASP A 51 -9.425 7.801 40.053 1.00 31.15 O -ATOM 335 CB ASP A 51 -12.279 9.228 39.181 1.00 37.03 C -ATOM 336 CG ASP A 51 -12.885 7.929 38.804 1.00 38.61 C -ATOM 337 OD1 ASP A 51 -14.094 7.748 39.104 1.00 39.63 O -ATOM 338 OD2 ASP A 51 -12.324 7.035 38.119 1.00 38.97 O -ATOM 339 N SER A 52 -9.144 9.540 38.678 1.00 28.61 N -ATOM 340 CA SER A 52 -7.916 9.016 38.110 1.00 25.39 C -ATOM 341 C SER A 52 -7.102 10.093 37.406 1.00 23.43 C -ATOM 342 O SER A 52 -7.513 11.224 37.172 1.00 23.12 O -ATOM 343 CB SER A 52 -8.253 7.942 37.059 1.00 25.54 C -ATOM 344 OG SER A 52 -8.964 8.625 36.027 1.00 25.57 O -ATOM 345 N TYR A 53 -5.836 9.752 37.187 1.00 20.17 N -ATOM 346 CA TYR A 53 -4.845 10.602 36.544 1.00 18.25 C -ATOM 347 C TYR A 53 -4.151 9.744 35.484 1.00 16.49 C -ATOM 348 O TYR A 53 -4.002 8.537 35.676 1.00 14.78 O -ATOM 349 CB TYR A 53 -3.775 11.028 37.578 1.00 18.82 C -ATOM 350 CG TYR A 53 -4.360 11.906 38.670 1.00 19.52 C -ATOM 351 CD1 TYR A 53 -4.932 11.311 39.791 1.00 20.75 C -ATOM 352 CD2 TYR A 53 -4.344 13.276 38.568 1.00 20.22 C -ATOM 353 CE1 TYR A 53 -5.501 12.091 40.791 1.00 21.12 C -ATOM 354 CE2 TYR A 53 -4.906 14.063 39.567 1.00 21.38 C -ATOM 355 CZ TYR A 53 -5.472 13.458 40.661 1.00 21.19 C -ATOM 356 OH TYR A 53 -6.014 14.283 41.642 1.00 22.67 O -ATOM 357 N VAL A 54 -3.726 10.356 34.383 1.00 14.87 N -ATOM 358 CA VAL A 54 -3.044 9.566 33.336 1.00 15.53 C -ATOM 359 C VAL A 54 -1.708 10.190 33.002 1.00 15.14 C -ATOM 360 O VAL A 54 -1.589 11.420 33.045 1.00 17.36 O -ATOM 361 CB VAL A 54 -3.943 9.608 32.071 1.00 14.04 C -ATOM 362 CG1 VAL A 54 -3.218 8.963 30.875 1.00 15.51 C -ATOM 363 CG2 VAL A 54 -5.234 8.831 32.295 1.00 16.66 C -ATOM 364 N GLY A 55 -0.698 9.423 32.638 1.00 13.72 N -ATOM 365 CA GLY A 55 0.565 9.938 32.161 1.00 15.44 C -ATOM 366 C GLY A 55 1.448 10.631 33.166 1.00 16.37 C -ATOM 367 O GLY A 55 1.621 10.167 34.292 1.00 17.12 O -ATOM 368 N ASP A 56 2.028 11.774 32.745 1.00 17.47 N -ATOM 369 CA ASP A 56 2.950 12.467 33.643 1.00 19.86 C -ATOM 370 C ASP A 56 2.233 12.935 34.905 1.00 19.17 C -ATOM 371 O ASP A 56 2.908 12.907 35.926 1.00 18.99 O -ATOM 372 CB ASP A 56 3.692 13.640 33.014 1.00 22.88 C -ATOM 373 CG ASP A 56 4.456 13.302 31.745 1.00 26.81 C -ATOM 374 OD1 ASP A 56 5.332 12.414 31.736 1.00 29.18 O -ATOM 375 OD2 ASP A 56 4.153 13.977 30.739 1.00 31.07 O -ATOM 376 N GLU A 57 0.954 13.258 34.812 1.00 19.07 N -ATOM 377 CA GLU A 57 0.222 13.666 36.025 1.00 22.31 C -ATOM 378 C GLU A 57 0.174 12.513 37.000 1.00 20.37 C -ATOM 379 O GLU A 57 0.317 12.708 38.229 1.00 21.58 O -ATOM 380 CB GLU A 57 -1.153 14.196 35.603 1.00 25.34 C -ATOM 381 CG GLU A 57 -1.154 15.578 34.976 1.00 30.55 C -ATOM 382 CD GLU A 57 -2.358 15.879 34.112 1.00 33.18 C -ATOM 383 OE1 GLU A 57 -2.241 16.617 33.099 1.00 36.11 O -ATOM 384 OE2 GLU A 57 -3.468 15.391 34.395 1.00 34.71 O -ATOM 385 N ALA A 58 -0.012 11.285 36.524 1.00 17.55 N -ATOM 386 CA ALA A 58 -0.077 10.096 37.372 1.00 17.50 C -ATOM 387 C ALA A 58 1.255 9.816 38.033 1.00 19.53 C -ATOM 388 O ALA A 58 1.383 9.591 39.250 1.00 18.29 O -ATOM 389 CB ALA A 58 -0.582 8.931 36.519 1.00 17.48 C -ATOM 390 N GLN A 59 2.327 9.895 37.235 1.00 18.28 N -ATOM 391 CA GLN A 59 3.684 9.695 37.714 1.00 19.40 C -ATOM 392 C GLN A 59 4.100 10.710 38.760 1.00 18.84 C -ATOM 393 O GLN A 59 4.700 10.335 39.777 1.00 20.64 O -ATOM 394 CB GLN A 59 4.652 9.856 36.526 1.00 21.21 C -ATOM 395 CG GLN A 59 4.579 8.716 35.534 1.00 25.87 C -ATOM 396 CD GLN A 59 5.617 8.903 34.436 1.00 26.90 C -ATOM 397 OE1 GLN A 59 5.693 10.014 33.896 1.00 28.10 O -ATOM 398 NE2 GLN A 59 6.376 7.868 34.123 1.00 28.84 N -ATOM 399 N SER A 60 3.637 11.955 38.599 1.00 18.46 N -ATOM 400 CA SER A 60 4.013 12.961 39.615 1.00 18.55 C -ATOM 401 C SER A 60 3.442 12.655 40.993 1.00 18.63 C -ATOM 402 O SER A 60 4.013 12.972 42.043 1.00 20.29 O -ATOM 403 CB SER A 60 3.484 14.308 39.128 1.00 21.18 C -ATOM 404 OG SER A 60 4.091 15.353 39.864 1.00 24.57 O -ATOM 405 N LYS A 61 2.287 12.011 41.043 1.00 17.20 N -ATOM 406 CA LYS A 61 1.600 11.640 42.272 1.00 16.88 C -ATOM 407 C LYS A 61 1.920 10.234 42.738 1.00 15.18 C -ATOM 408 O LYS A 61 1.179 9.637 43.539 1.00 15.96 O -ATOM 409 CB LYS A 61 0.104 11.914 42.082 1.00 17.56 C -ATOM 410 CG LYS A 61 -0.302 13.379 41.968 1.00 20.76 C -ATOM 411 CD LYS A 61 -1.803 13.487 41.742 1.00 23.22 C -ATOM 412 CE LYS A 61 -2.396 14.809 42.218 1.00 25.28 C -ATOM 413 NZ LYS A 61 -2.036 15.943 41.326 1.00 25.47 N -ATOM 414 N ARG A 62 3.030 9.633 42.329 1.00 15.52 N -ATOM 415 CA ARG A 62 3.423 8.307 42.779 1.00 17.60 C -ATOM 416 C ARG A 62 3.626 8.293 44.293 1.00 18.84 C -ATOM 417 O ARG A 62 3.933 9.282 44.962 1.00 17.84 O -ATOM 418 CB ARG A 62 4.686 7.878 42.047 1.00 20.84 C -ATOM 419 CG ARG A 62 5.876 8.813 42.243 1.00 23.96 C -ATOM 420 CD ARG A 62 6.780 8.223 43.335 1.00 27.16 C -ATOM 421 NE ARG A 62 7.286 6.971 42.839 1.00 28.26 N -ATOM 422 CZ ARG A 62 7.170 5.747 43.339 1.00 28.05 C -ATOM 423 NH1 ARG A 62 6.533 5.503 44.450 1.00 28.28 N -ATOM 424 NH2 ARG A 62 7.758 4.805 42.598 1.00 28.77 N -ATOM 425 N GLY A 63 3.312 7.141 44.887 1.00 18.77 N -ATOM 426 CA GLY A 63 3.416 7.001 46.343 1.00 17.70 C -ATOM 427 C GLY A 63 2.094 7.350 47.016 1.00 16.46 C -ATOM 428 O GLY A 63 1.842 6.892 48.130 1.00 19.17 O -ATOM 429 N ILE A 64 1.284 8.185 46.402 1.00 18.18 N -ATOM 430 CA ILE A 64 -0.031 8.560 46.885 1.00 15.88 C -ATOM 431 C ILE A 64 -1.056 7.708 46.105 1.00 19.00 C -ATOM 432 O ILE A 64 -1.836 6.941 46.677 1.00 20.60 O -ATOM 433 CB ILE A 64 -0.301 10.033 46.693 1.00 17.30 C -ATOM 434 CG1 ILE A 64 0.641 10.811 47.652 1.00 19.70 C -ATOM 435 CG2 ILE A 64 -1.760 10.414 46.979 1.00 16.23 C -ATOM 436 CD1 ILE A 64 0.725 12.282 47.300 1.00 21.77 C -ATOM 437 N LEU A 65 -1.066 7.902 44.791 1.00 17.89 N -ATOM 438 CA LEU A 65 -1.897 7.079 43.928 1.00 16.34 C -ATOM 439 C LEU A 65 -1.257 5.709 43.758 1.00 16.82 C -ATOM 440 O LEU A 65 -0.032 5.501 43.867 1.00 17.81 O -ATOM 441 CB LEU A 65 -1.878 7.683 42.492 1.00 18.58 C -ATOM 442 CG LEU A 65 -2.337 9.105 42.272 1.00 18.47 C -ATOM 443 CD1 LEU A 65 -2.180 9.452 40.782 1.00 18.98 C -ATOM 444 CD2 LEU A 65 -3.784 9.349 42.671 1.00 20.97 C -ATOM 445 N THR A 66 -2.089 4.754 43.395 1.00 14.93 N -ATOM 446 CA THR A 66 -1.647 3.437 42.954 1.00 16.17 C -ATOM 447 C THR A 66 -1.451 3.566 41.431 1.00 15.73 C -ATOM 448 O THR A 66 -2.380 4.020 40.771 1.00 16.08 O -ATOM 449 CB THR A 66 -2.698 2.368 43.234 1.00 17.05 C -ATOM 450 OG1 THR A 66 -2.741 2.214 44.682 1.00 18.49 O -ATOM 451 CG2 THR A 66 -2.300 1.048 42.596 1.00 16.43 C -ATOM 452 N LEU A 67 -0.259 3.238 40.981 1.00 13.11 N -ATOM 453 CA LEU A 67 -0.034 3.352 39.537 1.00 14.11 C -ATOM 454 C LEU A 67 -0.362 2.026 38.898 1.00 14.42 C -ATOM 455 O LEU A 67 -0.155 0.935 39.442 1.00 15.65 O -ATOM 456 CB LEU A 67 1.399 3.738 39.199 1.00 13.12 C -ATOM 457 CG LEU A 67 1.861 5.098 39.745 1.00 13.83 C -ATOM 458 CD1 LEU A 67 3.213 5.475 39.152 1.00 15.30 C -ATOM 459 CD2 LEU A 67 0.836 6.185 39.423 1.00 15.66 C -ATOM 460 N LYS A 68 -0.915 2.132 37.679 1.00 15.24 N -ATOM 461 CA LYS A 68 -1.103 0.923 36.908 1.00 15.45 C -ATOM 462 C LYS A 68 -0.538 1.062 35.496 1.00 13.06 C -ATOM 463 O LYS A 68 -0.704 2.101 34.918 1.00 13.91 O -ATOM 464 CB LYS A 68 -2.602 0.688 36.705 1.00 18.83 C -ATOM 465 CG LYS A 68 -2.894 -0.692 36.178 1.00 23.51 C -ATOM 466 CD LYS A 68 -2.349 -1.886 36.908 1.00 27.23 C -ATOM 467 CE LYS A 68 -1.187 -2.529 36.201 1.00 28.07 C -ATOM 468 NZ LYS A 68 -1.207 -4.011 36.335 1.00 32.48 N -ATOM 469 N TYR A 69 0.062 -0.005 34.999 1.00 15.15 N -ATOM 470 CA TYR A 69 0.536 -0.037 33.609 1.00 14.64 C -ATOM 471 C TYR A 69 -0.415 -0.992 32.900 1.00 13.67 C -ATOM 472 O TYR A 69 -0.189 -2.197 32.981 1.00 14.55 O -ATOM 473 CB TYR A 69 1.947 -0.614 33.594 1.00 18.49 C -ATOM 474 CG TYR A 69 3.007 0.381 34.053 1.00 23.31 C -ATOM 475 CD1 TYR A 69 3.126 0.771 35.373 1.00 25.78 C -ATOM 476 CD2 TYR A 69 3.847 0.879 33.078 1.00 26.25 C -ATOM 477 CE1 TYR A 69 4.121 1.688 35.733 1.00 27.62 C -ATOM 478 CE2 TYR A 69 4.854 1.781 33.421 1.00 29.04 C -ATOM 479 CZ TYR A 69 4.954 2.166 34.748 1.00 27.89 C -ATOM 480 OH TYR A 69 5.958 3.054 35.057 1.00 30.28 O -ATOM 481 N PRO A 70 -1.465 -0.506 32.233 1.00 11.91 N -ATOM 482 CA PRO A 70 -2.476 -1.374 31.654 1.00 13.14 C -ATOM 483 C PRO A 70 -2.062 -2.045 30.374 1.00 13.30 C -ATOM 484 O PRO A 70 -2.877 -2.854 29.913 1.00 14.01 O -ATOM 485 CB PRO A 70 -3.682 -0.455 31.414 1.00 15.12 C -ATOM 486 CG PRO A 70 -3.170 0.929 31.476 1.00 15.80 C -ATOM 487 CD PRO A 70 -1.803 0.937 32.104 1.00 13.41 C -ATOM 488 N ILE A 71 -0.886 -1.725 29.855 1.00 13.25 N -ATOM 489 CA ILE A 71 -0.329 -2.316 28.637 1.00 12.64 C -ATOM 490 C ILE A 71 1.090 -2.763 28.934 1.00 13.11 C -ATOM 491 O ILE A 71 2.001 -2.726 28.105 1.00 12.83 O -ATOM 492 CB ILE A 71 -0.272 -1.283 27.489 1.00 13.77 C -ATOM 493 CG1 ILE A 71 -1.347 -0.218 27.542 1.00 15.10 C -ATOM 494 CG2 ILE A 71 -0.349 -2.031 26.154 1.00 13.45 C -ATOM 495 CD1 ILE A 71 -1.385 0.800 26.403 1.00 14.52 C -ATOM 496 N GLU A 72 1.355 -3.191 30.170 1.00 14.24 N -ATOM 497 CA GLU A 72 2.690 -3.407 30.718 1.00 15.23 C -ATOM 498 C GLU A 72 3.657 -4.114 29.794 1.00 15.65 C -ATOM 499 O GLU A 72 4.788 -3.631 29.609 1.00 14.19 O -ATOM 500 CB GLU A 72 2.556 -4.175 32.055 1.00 14.84 C -ATOM 501 CG GLU A 72 3.875 -4.227 32.802 1.00 15.62 C -ATOM 502 CD GLU A 72 3.736 -4.655 34.246 1.00 17.66 C -ATOM 503 OE1 GLU A 72 2.721 -5.280 34.611 1.00 20.39 O -ATOM 504 OE2 GLU A 72 4.692 -4.377 35.019 1.00 19.52 O -HETATM 505 N HIC A 73 3.185 -5.256 29.261 1.00 15.85 N -HETATM 506 CA HIC A 73 4.005 -6.030 28.341 1.00 19.07 C -HETATM 507 C HIC A 73 3.505 -5.974 26.908 1.00 17.13 C -HETATM 508 O HIC A 73 3.855 -6.848 26.096 1.00 17.98 O -HETATM 509 CB HIC A 73 4.079 -7.479 28.831 1.00 21.63 C -HETATM 510 CG HIC A 73 4.398 -7.654 30.276 1.00 25.05 C -HETATM 511 ND1 HIC A 73 3.475 -7.879 31.243 1.00 27.83 N -HETATM 512 CD2 HIC A 73 5.549 -7.417 30.946 1.00 28.14 C -HETATM 513 CE1 HIC A 73 4.027 -7.750 32.430 1.00 29.77 C -HETATM 514 NE2 HIC A 73 5.332 -7.479 32.287 1.00 29.06 N -HETATM 515 CZ HIC A 73 6.284 -7.291 33.353 1.00 30.07 C -ATOM 516 N GLY A 74 2.765 -4.943 26.521 1.00 14.06 N -ATOM 517 CA GLY A 74 2.317 -4.736 25.158 1.00 14.44 C -ATOM 518 C GLY A 74 0.861 -5.156 24.918 1.00 13.45 C -ATOM 519 O GLY A 74 0.291 -4.607 23.982 1.00 14.01 O -ATOM 520 N ILE A 75 0.305 -6.049 25.720 1.00 14.60 N -ATOM 521 CA ILE A 75 -1.079 -6.470 25.566 1.00 14.53 C -ATOM 522 C ILE A 75 -1.904 -5.702 26.607 1.00 13.25 C -ATOM 523 O ILE A 75 -1.473 -5.526 27.759 1.00 13.47 O -ATOM 524 CB ILE A 75 -1.208 -8.002 25.708 1.00 15.08 C -ATOM 525 CG1 ILE A 75 -0.635 -8.653 24.432 1.00 17.59 C -ATOM 526 CG2 ILE A 75 -2.656 -8.436 25.920 1.00 15.99 C -ATOM 527 CD1 ILE A 75 -0.423 -10.139 24.523 1.00 19.33 C -ATOM 528 N ILE A 76 -3.054 -5.165 26.180 1.00 12.78 N -ATOM 529 CA ILE A 76 -3.905 -4.436 27.117 1.00 13.05 C -ATOM 530 C ILE A 76 -4.588 -5.421 28.066 1.00 12.99 C -ATOM 531 O ILE A 76 -5.233 -6.376 27.642 1.00 14.57 O -ATOM 532 CB ILE A 76 -4.968 -3.608 26.366 1.00 11.77 C -ATOM 533 CG1 ILE A 76 -4.302 -2.626 25.417 1.00 13.26 C -ATOM 534 CG2 ILE A 76 -5.913 -2.976 27.388 1.00 13.62 C -ATOM 535 CD1 ILE A 76 -5.301 -2.093 24.377 1.00 13.45 C -ATOM 536 N THR A 77 -4.425 -5.197 29.370 1.00 12.89 N -ATOM 537 CA THR A 77 -4.943 -6.097 30.390 1.00 14.32 C -ATOM 538 C THR A 77 -5.993 -5.482 31.281 1.00 15.17 C -ATOM 539 O THR A 77 -6.576 -6.235 32.085 1.00 17.36 O -ATOM 540 CB THR A 77 -3.804 -6.574 31.325 1.00 14.37 C -ATOM 541 OG1 THR A 77 -3.313 -5.447 32.085 1.00 17.28 O -ATOM 542 CG2 THR A 77 -2.697 -7.191 30.489 1.00 16.66 C -ATOM 543 N ASN A 78 -6.265 -4.197 31.212 1.00 14.22 N -ATOM 544 CA ASN A 78 -7.287 -3.578 32.062 1.00 14.90 C -ATOM 545 C ASN A 78 -8.035 -2.551 31.212 1.00 15.44 C -ATOM 546 O ASN A 78 -7.433 -1.539 30.843 1.00 13.84 O -ATOM 547 CB ASN A 78 -6.687 -2.974 33.308 1.00 16.94 C -ATOM 548 CG ASN A 78 -7.750 -2.478 34.260 1.00 19.03 C -ATOM 549 OD1 ASN A 78 -8.494 -1.551 33.933 1.00 18.75 O -ATOM 550 ND2 ASN A 78 -7.862 -3.082 35.443 1.00 21.88 N -ATOM 551 N TRP A 79 -9.287 -2.855 30.929 1.00 13.44 N -ATOM 552 CA TRP A 79 -10.095 -2.042 30.037 1.00 14.25 C -ATOM 553 C TRP A 79 -10.605 -0.773 30.666 1.00 13.92 C -ATOM 554 O TRP A 79 -10.695 0.217 29.944 1.00 14.16 O -ATOM 555 CB TRP A 79 -11.290 -2.889 29.519 1.00 14.86 C -ATOM 556 CG TRP A 79 -10.680 -4.025 28.731 1.00 15.42 C -ATOM 557 CD1 TRP A 79 -10.654 -5.322 29.139 1.00 16.55 C -ATOM 558 CD2 TRP A 79 -9.985 -3.952 27.489 1.00 14.73 C -ATOM 559 NE1 TRP A 79 -9.997 -6.080 28.185 1.00 17.75 N -ATOM 560 CE2 TRP A 79 -9.567 -5.265 27.183 1.00 15.94 C -ATOM 561 CE3 TRP A 79 -9.682 -2.930 26.596 1.00 14.48 C -ATOM 562 CZ2 TRP A 79 -8.879 -5.573 26.004 1.00 15.17 C -ATOM 563 CZ3 TRP A 79 -8.964 -3.214 25.429 1.00 14.92 C -ATOM 564 CH2 TRP A 79 -8.584 -4.543 25.164 1.00 15.30 C -ATOM 565 N ASP A 80 -10.794 -0.758 31.999 1.00 15.01 N -ATOM 566 CA ASP A 80 -11.203 0.531 32.576 1.00 16.33 C -ATOM 567 C ASP A 80 -10.024 1.500 32.529 1.00 15.40 C -ATOM 568 O ASP A 80 -10.196 2.677 32.188 1.00 14.99 O -ATOM 569 CB ASP A 80 -11.674 0.326 34.007 1.00 19.45 C -ATOM 570 CG ASP A 80 -12.988 -0.430 34.102 1.00 24.89 C -ATOM 571 OD1 ASP A 80 -13.825 -0.419 33.180 1.00 27.99 O -ATOM 572 OD2 ASP A 80 -13.171 -1.038 35.184 1.00 28.45 O -ATOM 573 N ASP A 81 -8.821 1.012 32.823 1.00 13.90 N -ATOM 574 CA ASP A 81 -7.635 1.892 32.716 1.00 15.59 C -ATOM 575 C ASP A 81 -7.404 2.307 31.258 1.00 13.44 C -ATOM 576 O ASP A 81 -7.047 3.466 30.982 1.00 12.77 O -ATOM 577 CB ASP A 81 -6.405 1.157 33.247 1.00 17.32 C -ATOM 578 CG ASP A 81 -6.480 0.841 34.734 1.00 21.27 C -ATOM 579 OD1 ASP A 81 -7.264 1.472 35.467 1.00 22.46 O -ATOM 580 OD2 ASP A 81 -5.755 -0.096 35.157 1.00 25.10 O -ATOM 581 N MET A 82 -7.558 1.352 30.305 1.00 12.91 N -ATOM 582 CA MET A 82 -7.334 1.706 28.897 1.00 12.43 C -ATOM 583 C MET A 82 -8.314 2.763 28.422 1.00 12.17 C -ATOM 584 O MET A 82 -7.931 3.685 27.667 1.00 13.01 O -ATOM 585 CB MET A 82 -7.364 0.427 28.035 1.00 13.01 C -ATOM 586 CG MET A 82 -6.725 0.706 26.666 1.00 13.93 C -ATOM 587 SD MET A 82 -4.937 1.031 26.825 1.00 13.97 S -ATOM 588 CE MET A 82 -4.740 2.251 25.528 1.00 17.04 C -ATOM 589 N GLU A 83 -9.588 2.673 28.864 1.00 11.13 N -ATOM 590 CA GLU A 83 -10.558 3.720 28.506 1.00 13.85 C -ATOM 591 C GLU A 83 -10.042 5.057 29.017 1.00 12.83 C -ATOM 592 O GLU A 83 -10.203 6.069 28.304 1.00 12.48 O -ATOM 593 CB GLU A 83 -11.951 3.451 29.111 1.00 16.30 C -ATOM 594 CG GLU A 83 -12.981 4.519 28.746 1.00 22.76 C -ATOM 595 CD GLU A 83 -14.370 4.357 29.318 1.00 25.87 C -ATOM 596 OE1 GLU A 83 -14.772 3.229 29.672 1.00 27.38 O -ATOM 597 OE2 GLU A 83 -15.109 5.370 29.435 1.00 26.64 O -ATOM 598 N LYS A 84 -9.472 5.144 30.219 1.00 11.70 N -ATOM 599 CA LYS A 84 -8.911 6.410 30.700 1.00 11.78 C -ATOM 600 C LYS A 84 -7.766 6.890 29.790 1.00 11.44 C -ATOM 601 O LYS A 84 -7.689 8.101 29.532 1.00 12.04 O -ATOM 602 CB LYS A 84 -8.485 6.329 32.162 1.00 14.62 C -ATOM 603 CG LYS A 84 -9.748 6.112 33.009 1.00 17.87 C -ATOM 604 CD LYS A 84 -9.414 5.749 34.439 1.00 23.24 C -ATOM 605 CE LYS A 84 -10.735 5.621 35.218 1.00 25.71 C -ATOM 606 NZ LYS A 84 -10.989 6.910 35.858 1.00 29.35 N -ATOM 607 N ILE A 85 -6.884 5.959 29.363 1.00 10.61 N -ATOM 608 CA ILE A 85 -5.791 6.409 28.478 1.00 10.61 C -ATOM 609 C ILE A 85 -6.317 6.957 27.152 1.00 10.65 C -ATOM 610 O ILE A 85 -5.849 8.003 26.715 1.00 11.19 O -ATOM 611 CB ILE A 85 -4.835 5.238 28.220 1.00 11.24 C -ATOM 612 CG1 ILE A 85 -4.053 5.012 29.524 1.00 12.86 C -ATOM 613 CG2 ILE A 85 -3.859 5.513 27.068 1.00 11.01 C -ATOM 614 CD1 ILE A 85 -3.149 3.805 29.526 1.00 14.29 C -ATOM 615 N TRP A 86 -7.285 6.262 26.548 1.00 10.60 N -ATOM 616 CA TRP A 86 -7.842 6.775 25.282 1.00 10.96 C -ATOM 617 C TRP A 86 -8.601 8.077 25.488 1.00 9.97 C -ATOM 618 O TRP A 86 -8.498 8.922 24.598 1.00 10.87 O -ATOM 619 CB TRP A 86 -8.716 5.687 24.672 1.00 10.96 C -ATOM 620 CG TRP A 86 -7.888 4.621 23.997 1.00 10.57 C -ATOM 621 CD1 TRP A 86 -6.720 4.786 23.310 1.00 12.06 C -ATOM 622 CD2 TRP A 86 -8.242 3.236 23.926 1.00 10.97 C -ATOM 623 NE1 TRP A 86 -6.311 3.556 22.807 1.00 12.46 N -ATOM 624 CE2 TRP A 86 -7.228 2.612 23.174 1.00 11.92 C -ATOM 625 CE3 TRP A 86 -9.313 2.496 24.411 1.00 12.24 C -ATOM 626 CZ2 TRP A 86 -7.262 1.234 22.924 1.00 12.69 C -ATOM 627 CZ3 TRP A 86 -9.384 1.113 24.157 1.00 13.40 C -ATOM 628 CH2 TRP A 86 -8.327 0.533 23.430 1.00 14.63 C -ATOM 629 N HIS A 87 -9.336 8.209 26.615 1.00 10.47 N -ATOM 630 CA HIS A 87 -10.006 9.509 26.833 1.00 11.16 C -ATOM 631 C HIS A 87 -8.979 10.626 26.931 1.00 10.81 C -ATOM 632 O HIS A 87 -9.154 11.691 26.327 1.00 11.67 O -ATOM 633 CB HIS A 87 -10.820 9.398 28.146 1.00 13.01 C -ATOM 634 CG HIS A 87 -11.426 10.732 28.486 1.00 14.40 C -ATOM 635 ND1 HIS A 87 -12.705 11.084 28.127 1.00 18.15 N -ATOM 636 CD2 HIS A 87 -10.896 11.747 29.220 1.00 16.27 C -ATOM 637 CE1 HIS A 87 -12.914 12.312 28.575 1.00 16.51 C -ATOM 638 NE2 HIS A 87 -11.842 12.761 29.170 1.00 17.63 N -ATOM 639 N HIS A 88 -7.892 10.356 27.629 1.00 10.06 N -ATOM 640 CA HIS A 88 -6.843 11.385 27.774 1.00 11.42 C -ATOM 641 C HIS A 88 -6.275 11.728 26.398 1.00 11.72 C -ATOM 642 O HIS A 88 -6.036 12.872 26.063 1.00 13.93 O -ATOM 643 CB HIS A 88 -5.767 10.835 28.723 1.00 12.09 C -ATOM 644 CG HIS A 88 -4.664 11.827 28.969 1.00 14.93 C -ATOM 645 ND1 HIS A 88 -4.857 12.869 29.888 1.00 16.89 N -ATOM 646 CD2 HIS A 88 -3.414 11.935 28.458 1.00 15.84 C -ATOM 647 CE1 HIS A 88 -3.717 13.561 29.888 1.00 17.15 C -ATOM 648 NE2 HIS A 88 -2.837 13.050 29.051 1.00 18.19 N -ATOM 649 N THR A 89 -6.015 10.682 25.585 1.00 11.12 N -ATOM 650 CA THR A 89 -5.457 10.866 24.256 1.00 13.04 C -ATOM 651 C THR A 89 -6.321 11.797 23.408 1.00 13.04 C -ATOM 652 O THR A 89 -5.844 12.798 22.864 1.00 12.63 O -ATOM 653 CB THR A 89 -5.314 9.515 23.523 1.00 11.85 C -ATOM 654 OG1 THR A 89 -4.471 8.644 24.343 1.00 12.27 O -ATOM 655 CG2 THR A 89 -4.632 9.659 22.162 1.00 12.81 C -ATOM 656 N PHE A 90 -7.615 11.480 23.351 1.00 11.69 N -ATOM 657 CA PHE A 90 -8.495 12.251 22.497 1.00 13.50 C -ATOM 658 C PHE A 90 -8.757 13.637 23.076 1.00 13.82 C -ATOM 659 O PHE A 90 -8.643 14.601 22.325 1.00 14.50 O -ATOM 660 CB PHE A 90 -9.830 11.535 22.281 1.00 14.43 C -ATOM 661 CG PHE A 90 -9.872 10.247 21.524 1.00 14.90 C -ATOM 662 CD1 PHE A 90 -9.348 10.169 20.242 1.00 17.12 C -ATOM 663 CD2 PHE A 90 -10.489 9.132 22.082 1.00 15.75 C -ATOM 664 CE1 PHE A 90 -9.429 8.972 19.533 1.00 18.33 C -ATOM 665 CE2 PHE A 90 -10.562 7.928 21.394 1.00 15.93 C -ATOM 666 CZ PHE A 90 -10.034 7.867 20.115 1.00 16.63 C -ATOM 667 N TYR A 91 -9.162 13.692 24.348 1.00 12.46 N -ATOM 668 CA TYR A 91 -9.653 14.986 24.837 1.00 13.79 C -ATOM 669 C TYR A 91 -8.608 15.887 25.415 1.00 15.70 C -ATOM 670 O TYR A 91 -8.899 17.105 25.503 1.00 17.53 O -ATOM 671 CB TYR A 91 -10.803 14.732 25.838 1.00 13.45 C -ATOM 672 CG TYR A 91 -11.993 14.122 25.142 1.00 13.64 C -ATOM 673 CD1 TYR A 91 -12.870 14.927 24.394 1.00 15.50 C -ATOM 674 CD2 TYR A 91 -12.214 12.748 25.188 1.00 13.61 C -ATOM 675 CE1 TYR A 91 -13.935 14.336 23.733 1.00 15.06 C -ATOM 676 CE2 TYR A 91 -13.299 12.165 24.539 1.00 14.68 C -ATOM 677 CZ TYR A 91 -14.149 12.980 23.828 1.00 15.52 C -ATOM 678 OH TYR A 91 -15.235 12.418 23.188 1.00 15.28 O -ATOM 679 N ASN A 92 -7.530 15.385 25.969 1.00 14.30 N -ATOM 680 CA ASN A 92 -6.563 16.218 26.675 1.00 16.19 C -ATOM 681 C ASN A 92 -5.299 16.449 25.858 1.00 16.14 C -ATOM 682 O ASN A 92 -4.748 17.566 25.895 1.00 17.93 O -ATOM 683 CB ASN A 92 -6.217 15.594 28.023 1.00 16.42 C -ATOM 684 CG ASN A 92 -7.432 15.389 28.925 1.00 19.56 C -ATOM 685 OD1 ASN A 92 -7.449 14.469 29.746 1.00 21.46 O -ATOM 686 ND2 ASN A 92 -8.450 16.218 28.799 1.00 22.43 N -ATOM 687 N GLU A 93 -4.853 15.413 25.126 1.00 14.62 N -ATOM 688 CA GLU A 93 -3.620 15.564 24.338 1.00 16.00 C -ATOM 689 C GLU A 93 -3.909 16.069 22.941 1.00 16.46 C -ATOM 690 O GLU A 93 -3.354 17.124 22.569 1.00 20.56 O -ATOM 691 CB GLU A 93 -2.916 14.201 24.287 1.00 17.61 C -ATOM 692 CG GLU A 93 -2.331 13.798 25.618 1.00 21.21 C -ATOM 693 CD GLU A 93 -0.992 14.369 25.984 1.00 24.29 C -ATOM 694 OE1 GLU A 93 -0.251 14.865 25.096 1.00 24.32 O -ATOM 695 OE2 GLU A 93 -0.678 14.282 27.199 1.00 26.79 O -ATOM 696 N LEU A 94 -4.727 15.383 22.163 1.00 15.13 N -ATOM 697 CA LEU A 94 -5.005 15.808 20.792 1.00 15.22 C -ATOM 698 C LEU A 94 -6.107 16.864 20.710 1.00 16.93 C -ATOM 699 O LEU A 94 -6.166 17.608 19.720 1.00 17.12 O -ATOM 700 CB LEU A 94 -5.423 14.622 19.919 1.00 14.75 C -ATOM 701 CG LEU A 94 -4.329 13.536 19.764 1.00 15.71 C -ATOM 702 CD1 LEU A 94 -4.889 12.417 18.900 1.00 16.33 C -ATOM 703 CD2 LEU A 94 -3.065 14.174 19.190 1.00 15.48 C -ATOM 704 N ARG A 95 -6.973 16.862 21.708 1.00 16.00 N -ATOM 705 CA ARG A 95 -8.072 17.821 21.743 1.00 18.38 C -ATOM 706 C ARG A 95 -8.965 17.736 20.532 1.00 16.59 C -ATOM 707 O ARG A 95 -9.341 18.721 19.841 1.00 19.91 O -ATOM 708 CB ARG A 95 -7.512 19.232 21.982 1.00 20.14 C -ATOM 709 CG ARG A 95 -6.718 19.341 23.276 1.00 24.46 C -ATOM 710 CD ARG A 95 -6.342 20.814 23.504 1.00 29.38 C -ATOM 711 NE ARG A 95 -5.205 20.934 24.403 1.00 32.71 N -ATOM 712 CZ ARG A 95 -5.070 21.687 25.486 1.00 33.84 C -ATOM 713 NH1 ARG A 95 -6.055 22.461 25.924 1.00 33.85 N -ATOM 714 NH2 ARG A 95 -3.924 21.627 26.166 1.00 34.46 N -ATOM 715 N VAL A 96 -9.405 16.517 20.258 1.00 14.99 N -ATOM 716 CA VAL A 96 -10.282 16.215 19.152 1.00 16.25 C -ATOM 717 C VAL A 96 -11.619 15.665 19.643 1.00 16.38 C -ATOM 718 O VAL A 96 -11.729 15.241 20.794 1.00 18.88 O -ATOM 719 CB VAL A 96 -9.725 15.149 18.178 1.00 16.68 C -ATOM 720 CG1 VAL A 96 -8.437 15.600 17.526 1.00 18.75 C -ATOM 721 CG2 VAL A 96 -9.533 13.825 18.902 1.00 17.61 C -ATOM 722 N ALA A 97 -12.577 15.664 18.743 1.00 16.29 N -ATOM 723 CA ALA A 97 -13.891 15.047 18.973 1.00 15.84 C -ATOM 724 C ALA A 97 -13.783 13.735 18.202 1.00 15.93 C -ATOM 725 O ALA A 97 -13.797 13.692 16.972 1.00 15.96 O -ATOM 726 CB ALA A 97 -14.997 15.925 18.434 1.00 15.79 C -ATOM 727 N PRO A 98 -13.632 12.606 18.896 1.00 15.29 N -ATOM 728 CA PRO A 98 -13.381 11.329 18.240 1.00 13.64 C -ATOM 729 C PRO A 98 -14.439 10.872 17.280 1.00 15.99 C -ATOM 730 O PRO A 98 -14.129 10.178 16.309 1.00 15.02 O -ATOM 731 CB PRO A 98 -13.210 10.334 19.390 1.00 14.60 C -ATOM 732 CG PRO A 98 -13.565 11.052 20.646 1.00 15.96 C -ATOM 733 CD PRO A 98 -13.634 12.527 20.374 1.00 15.33 C -ATOM 734 N GLU A 99 -15.672 11.371 17.432 1.00 15.74 N -ATOM 735 CA GLU A 99 -16.740 11.011 16.515 1.00 15.60 C -ATOM 736 C GLU A 99 -16.571 11.619 15.119 1.00 14.91 C -ATOM 737 O GLU A 99 -17.285 11.187 14.197 1.00 17.00 O -ATOM 738 CB GLU A 99 -18.072 11.461 17.129 1.00 16.52 C -ATOM 739 CG GLU A 99 -18.267 12.974 17.119 1.00 17.61 C -ATOM 740 CD GLU A 99 -17.839 13.669 18.398 1.00 19.04 C -ATOM 741 OE1 GLU A 99 -17.003 13.172 19.175 1.00 18.24 O -ATOM 742 OE2 GLU A 99 -18.402 14.769 18.673 1.00 22.63 O -ATOM 743 N GLU A 100 -15.596 12.473 14.906 1.00 15.49 N -ATOM 744 CA GLU A 100 -15.318 13.080 13.632 1.00 16.33 C -ATOM 745 C GLU A 100 -14.162 12.404 12.920 1.00 17.13 C -ATOM 746 O GLU A 100 -13.843 12.815 11.800 1.00 18.99 O -ATOM 747 CB GLU A 100 -14.946 14.565 13.820 1.00 20.13 C -ATOM 748 CG GLU A 100 -16.022 15.397 14.488 1.00 25.22 C -ATOM 749 CD GLU A 100 -15.664 16.831 14.814 1.00 28.58 C -ATOM 750 OE1 GLU A 100 -14.504 17.287 14.747 1.00 28.78 O -ATOM 751 OE2 GLU A 100 -16.605 17.575 15.196 1.00 31.86 O -ATOM 752 N HIS A 101 -13.461 11.456 13.525 1.00 15.55 N -ATOM 753 CA HIS A 101 -12.266 10.887 12.914 1.00 14.25 C -ATOM 754 C HIS A 101 -12.171 9.370 12.869 1.00 13.04 C -ATOM 755 O HIS A 101 -12.154 8.721 13.924 1.00 14.51 O -ATOM 756 CB HIS A 101 -11.059 11.328 13.785 1.00 15.45 C -ATOM 757 CG HIS A 101 -10.931 12.814 13.947 1.00 16.78 C -ATOM 758 ND1 HIS A 101 -10.289 13.584 13.008 1.00 18.13 N -ATOM 759 CD2 HIS A 101 -11.368 13.650 14.919 1.00 18.50 C -ATOM 760 CE1 HIS A 101 -10.349 14.856 13.401 1.00 17.09 C -ATOM 761 NE2 HIS A 101 -10.993 14.922 14.559 1.00 18.24 N -ATOM 762 N PRO A 102 -12.035 8.777 11.693 1.00 13.41 N -ATOM 763 CA PRO A 102 -11.638 7.371 11.584 1.00 12.51 C -ATOM 764 C PRO A 102 -10.357 7.193 12.402 1.00 12.62 C -ATOM 765 O PRO A 102 -9.446 8.049 12.317 1.00 12.52 O -ATOM 766 CB PRO A 102 -11.389 7.149 10.096 1.00 13.54 C -ATOM 767 CG PRO A 102 -12.126 8.264 9.435 1.00 16.12 C -ATOM 768 CD PRO A 102 -12.047 9.442 10.375 1.00 14.53 C -ATOM 769 N THR A 103 -10.297 6.106 13.190 1.00 12.37 N -ATOM 770 CA THR A 103 -9.139 5.983 14.076 1.00 12.38 C -ATOM 771 C THR A 103 -8.480 4.620 13.889 1.00 11.44 C -ATOM 772 O THR A 103 -9.132 3.580 13.916 1.00 12.25 O -ATOM 773 CB THR A 103 -9.645 6.115 15.524 1.00 13.69 C -ATOM 774 OG1 THR A 103 -10.190 7.420 15.738 1.00 14.05 O -ATOM 775 CG2 THR A 103 -8.536 5.919 16.548 1.00 14.17 C -ATOM 776 N LEU A 104 -7.196 4.681 13.601 1.00 10.72 N -ATOM 777 CA LEU A 104 -6.375 3.478 13.456 1.00 10.12 C -ATOM 778 C LEU A 104 -5.666 3.198 14.781 1.00 11.21 C -ATOM 779 O LEU A 104 -4.976 4.071 15.321 1.00 11.75 O -ATOM 780 CB LEU A 104 -5.390 3.622 12.302 1.00 10.82 C -ATOM 781 CG LEU A 104 -4.569 2.387 11.986 1.00 12.79 C -ATOM 782 CD1 LEU A 104 -4.121 2.314 10.527 1.00 13.94 C -ATOM 783 CD2 LEU A 104 -3.322 2.387 12.883 1.00 14.78 C -ATOM 784 N LEU A 105 -5.855 2.011 15.335 1.00 11.41 N -ATOM 785 CA LEU A 105 -5.227 1.593 16.570 1.00 11.29 C -ATOM 786 C LEU A 105 -4.196 0.492 16.266 1.00 11.29 C -ATOM 787 O LEU A 105 -4.358 -0.212 15.252 1.00 10.92 O -ATOM 788 CB LEU A 105 -6.217 0.963 17.559 1.00 11.80 C -ATOM 789 CG LEU A 105 -7.431 1.770 18.001 1.00 14.02 C -ATOM 790 CD1 LEU A 105 -8.333 0.939 18.899 1.00 15.23 C -ATOM 791 CD2 LEU A 105 -6.965 2.995 18.795 1.00 14.99 C -ATOM 792 N THR A 106 -3.141 0.501 17.061 1.00 11.21 N -ATOM 793 CA THR A 106 -2.130 -0.553 16.894 1.00 10.12 C -ATOM 794 C THR A 106 -2.270 -1.614 17.960 1.00 11.35 C -ATOM 795 O THR A 106 -2.855 -1.363 19.028 1.00 13.26 O -ATOM 796 CB THR A 106 -0.702 0.022 16.893 1.00 10.39 C -ATOM 797 OG1 THR A 106 -0.352 0.367 18.261 1.00 10.69 O -ATOM 798 CG2 THR A 106 -0.564 1.258 16.039 1.00 11.78 C -ATOM 799 N GLU A 107 -1.810 -2.842 17.647 1.00 11.19 N -ATOM 800 CA GLU A 107 -1.859 -3.917 18.638 1.00 12.14 C -ATOM 801 C GLU A 107 -0.562 -4.724 18.610 1.00 11.62 C -ATOM 802 O GLU A 107 0.218 -4.764 17.626 1.00 10.61 O -ATOM 803 CB GLU A 107 -3.041 -4.899 18.494 1.00 12.94 C -ATOM 804 CG GLU A 107 -2.897 -5.690 17.193 1.00 14.98 C -ATOM 805 CD GLU A 107 -3.920 -6.789 17.060 1.00 16.96 C -ATOM 806 OE1 GLU A 107 -5.032 -6.687 17.612 1.00 17.87 O -ATOM 807 OE2 GLU A 107 -3.647 -7.786 16.367 1.00 19.32 O -ATOM 808 N ALA A 108 -0.280 -5.287 19.776 1.00 12.01 N -ATOM 809 CA ALA A 108 0.955 -6.064 19.912 1.00 13.30 C -ATOM 810 C ALA A 108 0.879 -7.351 19.094 1.00 12.70 C -ATOM 811 O ALA A 108 -0.184 -7.826 18.710 1.00 13.51 O -ATOM 812 CB ALA A 108 1.046 -6.499 21.382 1.00 15.79 C -ATOM 813 N PRO A 109 2.050 -7.910 18.800 1.00 14.94 N -ATOM 814 CA PRO A 109 2.125 -9.230 18.176 1.00 16.08 C -ATOM 815 C PRO A 109 1.466 -10.216 19.129 1.00 14.92 C -ATOM 816 O PRO A 109 1.499 -10.133 20.369 1.00 16.05 O -ATOM 817 CB PRO A 109 3.618 -9.506 18.102 1.00 16.38 C -ATOM 818 CG PRO A 109 4.310 -8.214 18.299 1.00 19.41 C -ATOM 819 CD PRO A 109 3.389 -7.453 19.257 1.00 17.18 C -ATOM 820 N LEU A 110 0.752 -11.223 18.555 1.00 14.35 N -ATOM 821 CA LEU A 110 0.062 -12.259 19.312 1.00 15.35 C -ATOM 822 C LEU A 110 -1.073 -11.736 20.185 1.00 14.52 C -ATOM 823 O LEU A 110 -1.460 -12.338 21.184 1.00 15.88 O -ATOM 824 CB LEU A 110 1.057 -13.103 20.147 1.00 15.17 C -ATOM 825 CG LEU A 110 2.160 -13.753 19.282 1.00 18.29 C -ATOM 826 CD1 LEU A 110 3.183 -14.449 20.156 1.00 18.65 C -ATOM 827 CD2 LEU A 110 1.515 -14.731 18.297 1.00 19.14 C -ATOM 828 N ASN A 111 -1.688 -10.615 19.769 1.00 14.32 N -ATOM 829 CA ASN A 111 -2.831 -10.108 20.575 1.00 12.90 C -ATOM 830 C ASN A 111 -4.027 -11.012 20.367 1.00 14.25 C -ATOM 831 O ASN A 111 -4.438 -11.224 19.213 1.00 14.37 O -ATOM 832 CB ASN A 111 -3.126 -8.684 20.087 1.00 13.13 C -ATOM 833 CG ASN A 111 -4.085 -7.977 21.010 1.00 13.09 C -ATOM 834 OD1 ASN A 111 -3.955 -8.094 22.208 1.00 14.29 O -ATOM 835 ND2 ASN A 111 -5.074 -7.219 20.512 1.00 12.02 N -ATOM 836 N PRO A 112 -4.667 -11.513 21.417 1.00 14.79 N -ATOM 837 CA PRO A 112 -5.812 -12.408 21.243 1.00 15.40 C -ATOM 838 C PRO A 112 -6.930 -11.758 20.446 1.00 15.32 C -ATOM 839 O PRO A 112 -7.198 -10.558 20.549 1.00 14.11 O -ATOM 840 CB PRO A 112 -6.210 -12.742 22.669 1.00 16.36 C -ATOM 841 CG PRO A 112 -4.909 -12.677 23.394 1.00 15.48 C -ATOM 842 CD PRO A 112 -4.230 -11.421 22.836 1.00 13.53 C -ATOM 843 N LYS A 113 -7.698 -12.545 19.690 1.00 15.97 N -ATOM 844 CA LYS A 113 -8.831 -12.030 18.934 1.00 16.21 C -ATOM 845 C LYS A 113 -9.855 -11.359 19.840 1.00 14.88 C -ATOM 846 O LYS A 113 -10.386 -10.294 19.532 1.00 14.54 O -ATOM 847 CB LYS A 113 -9.518 -13.171 18.143 1.00 19.07 C -ATOM 848 CG LYS A 113 -8.603 -13.607 17.012 1.00 22.09 C -ATOM 849 CD LYS A 113 -9.207 -14.815 16.277 1.00 26.42 C -ATOM 850 CE LYS A 113 -10.251 -14.354 15.279 1.00 29.22 C -ATOM 851 NZ LYS A 113 -10.720 -15.472 14.413 1.00 32.32 N -ATOM 852 N ALA A 114 -10.112 -11.906 21.024 1.00 15.41 N -ATOM 853 CA ALA A 114 -11.070 -11.327 21.949 1.00 14.24 C -ATOM 854 C ALA A 114 -10.584 -9.955 22.430 1.00 12.62 C -ATOM 855 O ALA A 114 -11.427 -9.102 22.681 1.00 13.41 O -ATOM 856 CB ALA A 114 -11.281 -12.249 23.138 1.00 15.39 C -ATOM 857 N ASN A 115 -9.265 -9.795 22.490 1.00 12.47 N -ATOM 858 CA ASN A 115 -8.716 -8.483 22.900 1.00 13.19 C -ATOM 859 C ASN A 115 -8.950 -7.466 21.792 1.00 11.91 C -ATOM 860 O ASN A 115 -9.441 -6.349 22.064 1.00 13.01 O -ATOM 861 CB ASN A 115 -7.242 -8.639 23.184 1.00 12.62 C -ATOM 862 CG ASN A 115 -6.603 -7.408 23.838 1.00 13.70 C -ATOM 863 OD1 ASN A 115 -6.562 -6.383 23.184 1.00 14.96 O -ATOM 864 ND2 ASN A 115 -6.139 -7.593 25.061 1.00 13.73 N -ATOM 865 N ARG A 116 -8.715 -7.843 20.527 1.00 13.29 N -ATOM 866 CA ARG A 116 -8.974 -6.900 19.433 1.00 13.14 C -ATOM 867 C ARG A 116 -10.457 -6.545 19.364 1.00 13.22 C -ATOM 868 O ARG A 116 -10.851 -5.414 19.083 1.00 12.79 O -ATOM 869 CB ARG A 116 -8.536 -7.530 18.099 1.00 14.70 C -ATOM 870 CG ARG A 116 -8.661 -6.506 16.981 1.00 15.55 C -ATOM 871 CD ARG A 116 -8.341 -7.116 15.612 1.00 18.34 C -ATOM 872 NE ARG A 116 -6.934 -7.281 15.363 1.00 22.14 N -ATOM 873 CZ ARG A 116 -6.386 -7.450 14.153 1.00 22.39 C -ATOM 874 NH1 ARG A 116 -7.127 -7.495 13.052 1.00 24.31 N -ATOM 875 NH2 ARG A 116 -5.066 -7.584 14.090 1.00 24.58 N -ATOM 876 N GLU A 117 -11.333 -7.530 19.630 1.00 12.55 N -ATOM 877 CA GLU A 117 -12.758 -7.280 19.676 1.00 14.13 C -ATOM 878 C GLU A 117 -13.142 -6.298 20.780 1.00 14.24 C -ATOM 879 O GLU A 117 -13.999 -5.448 20.522 1.00 15.14 O -ATOM 880 CB GLU A 117 -13.549 -8.572 19.937 1.00 14.47 C -ATOM 881 CG GLU A 117 -13.513 -9.495 18.740 1.00 17.04 C -ATOM 882 CD GLU A 117 -14.181 -10.834 18.977 1.00 21.27 C -ATOM 883 OE1 GLU A 117 -14.887 -10.999 20.002 1.00 22.96 O -ATOM 884 OE2 GLU A 117 -13.975 -11.691 18.089 1.00 22.12 O -ATOM 885 N LYS A 118 -12.515 -6.365 21.951 1.00 13.19 N -ATOM 886 CA LYS A 118 -12.827 -5.444 23.038 1.00 14.72 C -ATOM 887 C LYS A 118 -12.308 -4.057 22.697 1.00 14.78 C -ATOM 888 O LYS A 118 -13.041 -3.088 22.939 1.00 15.12 O -ATOM 889 CB LYS A 118 -12.240 -5.935 24.363 1.00 16.15 C -ATOM 890 CG LYS A 118 -12.654 -5.019 25.505 1.00 19.63 C -ATOM 891 CD LYS A 118 -14.135 -5.059 25.816 1.00 23.34 C -ATOM 892 CE LYS A 118 -14.504 -4.127 26.945 1.00 25.36 C -ATOM 893 NZ LYS A 118 -15.915 -4.222 27.403 1.00 27.88 N -ATOM 894 N MET A 119 -11.159 -3.946 22.067 1.00 13.58 N -ATOM 895 CA MET A 119 -10.660 -2.632 21.624 1.00 13.14 C -ATOM 896 C MET A 119 -11.675 -1.960 20.701 1.00 13.20 C -ATOM 897 O MET A 119 -11.997 -0.773 20.774 1.00 13.67 O -ATOM 898 CB MET A 119 -9.321 -2.758 20.928 1.00 13.28 C -ATOM 899 CG MET A 119 -8.157 -3.328 21.712 1.00 14.51 C -ATOM 900 SD MET A 119 -6.688 -3.775 20.761 1.00 13.39 S -ATOM 901 CE MET A 119 -6.196 -2.087 20.243 1.00 15.77 C -ATOM 902 N THR A 120 -12.192 -2.754 19.734 1.00 12.89 N -ATOM 903 CA THR A 120 -13.163 -2.299 18.749 1.00 13.82 C -ATOM 904 C THR A 120 -14.474 -1.859 19.396 1.00 14.03 C -ATOM 905 O THR A 120 -15.014 -0.786 19.127 1.00 12.76 O -ATOM 906 CB THR A 120 -13.412 -3.459 17.758 1.00 15.49 C -ATOM 907 OG1 THR A 120 -12.135 -3.723 17.167 1.00 14.85 O -ATOM 908 CG2 THR A 120 -14.387 -3.035 16.659 1.00 14.83 C -ATOM 909 N GLN A 121 -14.973 -2.677 20.314 1.00 12.89 N -ATOM 910 CA GLN A 121 -16.191 -2.350 21.055 1.00 14.89 C -ATOM 911 C GLN A 121 -16.081 -1.011 21.776 1.00 15.23 C -ATOM 912 O GLN A 121 -16.984 -0.187 21.704 1.00 15.33 O -ATOM 913 CB GLN A 121 -16.462 -3.455 22.086 1.00 17.64 C -ATOM 914 CG GLN A 121 -17.743 -3.258 22.888 1.00 23.68 C -ATOM 915 CD GLN A 121 -18.045 -4.388 23.848 1.00 26.76 C -ATOM 916 OE1 GLN A 121 -18.811 -4.228 24.810 1.00 30.91 O -ATOM 917 NE2 GLN A 121 -17.481 -5.570 23.653 1.00 27.91 N -ATOM 918 N ILE A 122 -14.941 -0.783 22.437 1.00 14.61 N -ATOM 919 CA ILE A 122 -14.754 0.497 23.141 1.00 14.07 C -ATOM 920 C ILE A 122 -14.712 1.651 22.159 1.00 13.26 C -ATOM 921 O ILE A 122 -15.328 2.711 22.396 1.00 13.84 O -ATOM 922 CB ILE A 122 -13.483 0.384 24.002 1.00 13.67 C -ATOM 923 CG1 ILE A 122 -13.742 -0.610 25.167 1.00 14.60 C -ATOM 924 CG2 ILE A 122 -13.066 1.747 24.547 1.00 14.07 C -ATOM 925 CD1 ILE A 122 -12.463 -1.034 25.853 1.00 15.81 C -ATOM 926 N MET A 123 -13.983 1.494 21.029 1.00 13.63 N -ATOM 927 CA MET A 123 -13.919 2.624 20.102 1.00 13.81 C -ATOM 928 C MET A 123 -15.310 3.011 19.615 1.00 14.13 C -ATOM 929 O MET A 123 -15.596 4.214 19.549 1.00 13.15 O -ATOM 930 CB MET A 123 -12.990 2.276 18.937 1.00 15.18 C -ATOM 931 CG MET A 123 -11.522 2.319 19.345 1.00 17.35 C -ATOM 932 SD MET A 123 -10.972 4.015 19.711 1.00 16.36 S -ATOM 933 CE MET A 123 -10.162 3.686 21.267 1.00 16.18 C -ATOM 934 N PHE A 124 -16.095 2.012 19.224 1.00 13.58 N -ATOM 935 CA PHE A 124 -17.419 2.355 18.697 1.00 14.32 C -ATOM 936 C PHE A 124 -18.413 2.755 19.769 1.00 16.62 C -ATOM 937 O PHE A 124 -19.150 3.731 19.614 1.00 18.33 O -ATOM 938 CB PHE A 124 -17.949 1.162 17.865 1.00 15.02 C -ATOM 939 CG PHE A 124 -17.333 1.054 16.500 1.00 13.76 C -ATOM 940 CD1 PHE A 124 -17.406 2.137 15.614 1.00 14.71 C -ATOM 941 CD2 PHE A 124 -16.708 -0.099 16.072 1.00 15.02 C -ATOM 942 CE1 PHE A 124 -16.858 2.065 14.359 1.00 14.53 C -ATOM 943 CE2 PHE A 124 -16.159 -0.191 14.806 1.00 12.41 C -ATOM 944 CZ PHE A 124 -16.239 0.906 13.925 1.00 13.80 C -ATOM 945 N GLU A 125 -18.466 2.016 20.864 1.00 15.47 N -ATOM 946 CA GLU A 125 -19.506 2.271 21.899 1.00 17.51 C -ATOM 947 C GLU A 125 -19.146 3.381 22.852 1.00 18.12 C -ATOM 948 O GLU A 125 -20.041 4.171 23.230 1.00 19.07 O -ATOM 949 CB GLU A 125 -19.791 0.924 22.602 1.00 20.76 C -ATOM 950 CG GLU A 125 -20.385 -0.050 21.607 1.00 24.69 C -ATOM 951 CD GLU A 125 -21.034 -1.336 22.011 1.00 29.09 C -ATOM 952 OE1 GLU A 125 -21.029 -1.682 23.212 1.00 30.49 O -ATOM 953 OE2 GLU A 125 -21.573 -2.003 21.094 1.00 30.19 O -ATOM 954 N THR A 126 -17.910 3.439 23.323 1.00 16.44 N -ATOM 955 CA THR A 126 -17.499 4.478 24.248 1.00 15.80 C -ATOM 956 C THR A 126 -17.163 5.791 23.599 1.00 14.37 C -ATOM 957 O THR A 126 -17.598 6.881 24.052 1.00 15.78 O -ATOM 958 CB THR A 126 -16.255 4.007 25.058 1.00 17.60 C -ATOM 959 OG1 THR A 126 -16.650 2.820 25.724 1.00 19.33 O -ATOM 960 CG2 THR A 126 -15.786 5.115 25.985 1.00 16.92 C -ATOM 961 N PHE A 127 -16.404 5.769 22.479 1.00 12.46 N -ATOM 962 CA PHE A 127 -15.968 7.004 21.860 1.00 13.24 C -ATOM 963 C PHE A 127 -16.714 7.401 20.589 1.00 12.18 C -ATOM 964 O PHE A 127 -16.509 8.491 20.074 1.00 13.92 O -ATOM 965 CB PHE A 127 -14.439 6.931 21.566 1.00 12.81 C -ATOM 966 CG PHE A 127 -13.657 6.804 22.861 1.00 12.80 C -ATOM 967 CD1 PHE A 127 -13.558 7.867 23.744 1.00 13.39 C -ATOM 968 CD2 PHE A 127 -13.120 5.593 23.224 1.00 13.03 C -ATOM 969 CE1 PHE A 127 -12.885 7.688 24.936 1.00 14.00 C -ATOM 970 CE2 PHE A 127 -12.422 5.424 24.408 1.00 12.64 C -ATOM 971 CZ PHE A 127 -12.300 6.489 25.291 1.00 14.30 C -ATOM 972 N ASN A 128 -17.600 6.502 20.145 1.00 13.79 N -ATOM 973 CA ASN A 128 -18.426 6.813 18.977 1.00 15.91 C -ATOM 974 C ASN A 128 -17.624 7.181 17.739 1.00 15.46 C -ATOM 975 O ASN A 128 -17.984 8.072 16.955 1.00 14.71 O -ATOM 976 CB ASN A 128 -19.422 7.941 19.292 1.00 19.23 C -ATOM 977 CG ASN A 128 -20.560 8.005 18.283 1.00 23.72 C -ATOM 978 OD1 ASN A 128 -20.969 6.990 17.700 1.00 26.43 O -ATOM 979 ND2 ASN A 128 -21.045 9.218 18.059 1.00 24.94 N -ATOM 980 N VAL A 129 -16.506 6.517 17.486 1.00 13.60 N -ATOM 981 CA VAL A 129 -15.744 6.819 16.266 1.00 14.32 C -ATOM 982 C VAL A 129 -16.592 6.408 15.065 1.00 14.30 C -ATOM 983 O VAL A 129 -17.396 5.483 15.112 1.00 15.52 O -ATOM 984 CB VAL A 129 -14.364 6.128 16.196 1.00 14.32 C -ATOM 985 CG1 VAL A 129 -13.458 6.620 17.313 1.00 14.30 C -ATOM 986 CG2 VAL A 129 -14.543 4.613 16.194 1.00 15.50 C -ATOM 987 N PRO A 130 -16.367 7.082 13.930 1.00 13.86 N -ATOM 988 CA PRO A 130 -17.141 6.754 12.729 1.00 14.69 C -ATOM 989 C PRO A 130 -16.645 5.481 12.069 1.00 14.33 C -ATOM 990 O PRO A 130 -17.399 4.803 11.345 1.00 14.84 O -ATOM 991 CB PRO A 130 -16.914 7.938 11.819 1.00 15.51 C -ATOM 992 CG PRO A 130 -15.608 8.551 12.243 1.00 13.31 C -ATOM 993 CD PRO A 130 -15.554 8.288 13.754 1.00 13.44 C -ATOM 994 N ALA A 131 -15.355 5.220 12.261 1.00 14.19 N -ATOM 995 CA ALA A 131 -14.750 4.045 11.643 1.00 12.68 C -ATOM 996 C ALA A 131 -13.408 3.772 12.318 1.00 12.03 C -ATOM 997 O ALA A 131 -12.927 4.679 12.970 1.00 13.60 O -ATOM 998 CB ALA A 131 -14.502 4.328 10.156 1.00 15.52 C -ATOM 999 N MET A 132 -12.954 2.533 12.177 1.00 11.65 N -ATOM 1000 CA MET A 132 -11.646 2.249 12.785 1.00 12.09 C -ATOM 1001 C MET A 132 -10.975 1.099 12.062 1.00 13.07 C -ATOM 1002 O MET A 132 -11.507 0.494 11.140 1.00 14.30 O -ATOM 1003 CB MET A 132 -11.793 1.976 14.281 1.00 15.78 C -ATOM 1004 CG AMET A 132 -12.921 1.054 14.681 0.50 15.85 C -ATOM 1005 CG BMET A 132 -12.672 0.732 14.416 0.50 15.92 C -ATOM 1006 SD AMET A 132 -12.415 -0.670 14.552 0.50 17.95 S -ATOM 1007 SD BMET A 132 -12.626 0.095 16.089 0.50 16.48 S -ATOM 1008 CE AMET A 132 -11.305 -0.801 15.952 0.50 16.33 C -ATOM 1009 CE BMET A 132 -10.872 -0.046 16.407 0.50 16.63 C -ATOM 1010 N TYR A 133 -9.738 0.852 12.461 1.00 11.74 N -ATOM 1011 CA TYR A 133 -8.942 -0.245 11.910 1.00 11.77 C -ATOM 1012 C TYR A 133 -7.887 -0.602 12.940 1.00 11.33 C -ATOM 1013 O TYR A 133 -7.492 0.254 13.718 1.00 12.04 O -ATOM 1014 CB TYR A 133 -8.221 0.192 10.634 1.00 13.18 C -ATOM 1015 CG TYR A 133 -7.580 -0.904 9.821 1.00 14.87 C -ATOM 1016 CD1 TYR A 133 -8.358 -1.699 8.974 1.00 16.47 C -ATOM 1017 CD2 TYR A 133 -6.224 -1.179 9.863 1.00 14.93 C -ATOM 1018 CE1 TYR A 133 -7.811 -2.705 8.208 1.00 16.10 C -ATOM 1019 CE2 TYR A 133 -5.656 -2.212 9.107 1.00 14.24 C -ATOM 1020 CZ TYR A 133 -6.465 -2.941 8.280 1.00 15.96 C -ATOM 1021 OH TYR A 133 -5.877 -3.947 7.500 1.00 18.57 O -ATOM 1022 N VAL A 134 -7.531 -1.878 13.048 1.00 11.19 N -ATOM 1023 CA VAL A 134 -6.496 -2.306 13.985 1.00 12.13 C -ATOM 1024 C VAL A 134 -5.386 -2.968 13.153 1.00 12.39 C -ATOM 1025 O VAL A 134 -5.646 -3.922 12.421 1.00 13.70 O -ATOM 1026 CB VAL A 134 -6.982 -3.344 15.014 1.00 12.95 C -ATOM 1027 CG1 VAL A 134 -5.859 -3.617 16.000 1.00 14.48 C -ATOM 1028 CG2 VAL A 134 -8.225 -2.828 15.734 1.00 14.10 C -ATOM 1029 N ALA A 135 -4.160 -2.499 13.369 1.00 12.15 N -ATOM 1030 CA ALA A 135 -2.992 -3.047 12.680 1.00 13.31 C -ATOM 1031 C ALA A 135 -1.949 -3.535 13.660 1.00 14.13 C -ATOM 1032 O ALA A 135 -1.781 -2.978 14.749 1.00 12.58 O -ATOM 1033 CB ALA A 135 -2.370 -1.975 11.790 1.00 14.61 C -ATOM 1034 N ILE A 136 -1.214 -4.571 13.275 1.00 11.97 N -ATOM 1035 CA ILE A 136 -0.130 -5.120 14.107 1.00 12.72 C -ATOM 1036 C ILE A 136 1.065 -4.183 14.044 1.00 11.83 C -ATOM 1037 O ILE A 136 1.528 -3.793 12.965 1.00 11.99 O -ATOM 1038 CB ILE A 136 0.212 -6.536 13.613 1.00 12.52 C -ATOM 1039 CG1 ILE A 136 -1.011 -7.451 13.720 1.00 14.22 C -ATOM 1040 CG2 ILE A 136 1.387 -7.093 14.385 1.00 13.61 C -ATOM 1041 CD1 ILE A 136 -0.810 -8.807 13.045 1.00 15.97 C -ATOM 1042 N GLN A 137 1.593 -3.827 15.225 1.00 11.54 N -ATOM 1043 CA GLN A 137 2.700 -2.866 15.301 1.00 10.82 C -ATOM 1044 C GLN A 137 3.906 -3.220 14.455 1.00 11.71 C -ATOM 1045 O GLN A 137 4.375 -2.343 13.748 1.00 11.12 O -ATOM 1046 CB GLN A 137 3.141 -2.728 16.774 1.00 10.87 C -ATOM 1047 CG GLN A 137 2.082 -2.037 17.623 1.00 10.29 C -ATOM 1048 CD GLN A 137 2.027 -2.517 19.048 1.00 10.65 C -ATOM 1049 OE1 GLN A 137 2.847 -3.293 19.552 1.00 11.74 O -ATOM 1050 NE2 GLN A 137 1.019 -2.043 19.825 1.00 10.76 N -ATOM 1051 N ALA A 138 4.358 -4.479 14.501 1.00 12.14 N -ATOM 1052 CA ALA A 138 5.552 -4.814 13.712 1.00 10.74 C -ATOM 1053 C ALA A 138 5.303 -4.711 12.214 1.00 12.15 C -ATOM 1054 O ALA A 138 6.243 -4.323 11.524 1.00 11.38 O -ATOM 1055 CB ALA A 138 6.037 -6.203 14.079 1.00 11.83 C -ATOM 1056 N VAL A 139 4.082 -5.043 11.790 1.00 10.69 N -ATOM 1057 CA VAL A 139 3.771 -4.892 10.359 1.00 11.05 C -ATOM 1058 C VAL A 139 3.816 -3.426 9.958 1.00 10.52 C -ATOM 1059 O VAL A 139 4.415 -3.085 8.904 1.00 10.84 O -ATOM 1060 CB VAL A 139 2.416 -5.512 10.023 1.00 11.65 C -ATOM 1061 CG1 VAL A 139 2.045 -5.253 8.567 1.00 15.02 C -ATOM 1062 CG2 VAL A 139 2.445 -7.011 10.279 1.00 13.56 C -ATOM 1063 N LEU A 140 3.312 -2.500 10.788 1.00 11.28 N -ATOM 1064 CA LEU A 140 3.397 -1.084 10.498 1.00 11.62 C -ATOM 1065 C LEU A 140 4.861 -0.620 10.423 1.00 11.60 C -ATOM 1066 O LEU A 140 5.246 0.139 9.536 1.00 11.59 O -ATOM 1067 CB LEU A 140 2.642 -0.260 11.556 1.00 11.16 C -ATOM 1068 CG LEU A 140 1.124 -0.524 11.578 1.00 12.68 C -ATOM 1069 CD1 LEU A 140 0.547 0.349 12.714 1.00 12.66 C -ATOM 1070 CD2 LEU A 140 0.553 -0.192 10.195 1.00 13.05 C -ATOM 1071 N SER A 141 5.713 -1.127 11.321 1.00 11.96 N -ATOM 1072 CA SER A 141 7.131 -0.738 11.249 1.00 12.90 C -ATOM 1073 C SER A 141 7.782 -1.250 9.959 1.00 13.78 C -ATOM 1074 O SER A 141 8.587 -0.530 9.350 1.00 13.08 O -ATOM 1075 CB SER A 141 7.877 -1.327 12.449 1.00 16.63 C -ATOM 1076 OG SER A 141 7.597 -0.552 13.615 1.00 19.27 O -ATOM 1077 N LEU A 142 7.400 -2.449 9.536 1.00 12.32 N -ATOM 1078 CA LEU A 142 7.936 -2.970 8.265 1.00 12.66 C -ATOM 1079 C LEU A 142 7.496 -2.097 7.105 1.00 12.67 C -ATOM 1080 O LEU A 142 8.294 -1.723 6.216 1.00 13.12 O -ATOM 1081 CB LEU A 142 7.495 -4.429 8.141 1.00 13.05 C -ATOM 1082 CG LEU A 142 8.187 -5.183 6.991 1.00 14.04 C -ATOM 1083 CD1 LEU A 142 9.641 -5.487 7.352 1.00 14.22 C -ATOM 1084 CD2 LEU A 142 7.456 -6.458 6.692 1.00 14.15 C -ATOM 1085 N TYR A 143 6.208 -1.694 7.106 1.00 13.32 N -ATOM 1086 CA TYR A 143 5.743 -0.787 6.058 1.00 12.39 C -ATOM 1087 C TYR A 143 6.451 0.559 6.101 1.00 13.57 C -ATOM 1088 O TYR A 143 6.768 1.146 5.041 1.00 13.07 O -ATOM 1089 CB TYR A 143 4.246 -0.522 6.186 1.00 12.87 C -ATOM 1090 CG TYR A 143 3.309 -1.676 5.924 1.00 13.38 C -ATOM 1091 CD1 TYR A 143 3.667 -2.879 5.372 1.00 14.97 C -ATOM 1092 CD2 TYR A 143 1.938 -1.469 6.235 1.00 16.43 C -ATOM 1093 CE1 TYR A 143 2.754 -3.886 5.127 1.00 17.76 C -ATOM 1094 CE2 TYR A 143 1.015 -2.468 5.978 1.00 16.85 C -ATOM 1095 CZ TYR A 143 1.421 -3.643 5.442 1.00 17.91 C -ATOM 1096 OH TYR A 143 0.504 -4.651 5.199 1.00 23.14 O -ATOM 1097 N ALA A 144 6.759 1.085 7.279 1.00 13.82 N -ATOM 1098 CA ALA A 144 7.471 2.347 7.392 1.00 14.31 C -ATOM 1099 C ALA A 144 8.872 2.248 6.773 1.00 15.43 C -ATOM 1100 O ALA A 144 9.437 3.284 6.369 1.00 17.26 O -ATOM 1101 CB ALA A 144 7.503 2.731 8.861 1.00 16.03 C -ATOM 1102 N SER A 145 9.416 1.043 6.656 1.00 13.87 N -ATOM 1103 CA SER A 145 10.729 0.834 6.058 1.00 15.46 C -ATOM 1104 C SER A 145 10.611 0.558 4.569 1.00 16.39 C -ATOM 1105 O SER A 145 11.634 0.383 3.904 1.00 17.71 O -ATOM 1106 CB SER A 145 11.522 -0.315 6.732 1.00 14.38 C -ATOM 1107 OG SER A 145 11.031 -1.565 6.295 1.00 16.29 O -ATOM 1108 N GLY A 146 9.383 0.539 4.069 1.00 15.44 N -ATOM 1109 CA GLY A 146 9.122 0.349 2.647 1.00 16.30 C -ATOM 1110 C GLY A 146 9.202 -1.078 2.193 1.00 17.52 C -ATOM 1111 O GLY A 146 9.531 -1.284 0.999 1.00 18.04 O -ATOM 1112 N ARG A 147 8.818 -2.075 2.997 1.00 15.94 N -ATOM 1113 CA ARG A 147 8.802 -3.442 2.543 1.00 17.44 C -ATOM 1114 C ARG A 147 7.597 -4.174 3.145 1.00 16.64 C -ATOM 1115 O ARG A 147 6.955 -3.664 4.071 1.00 15.96 O -ATOM 1116 CB ARG A 147 10.099 -4.198 2.735 1.00 22.33 C -ATOM 1117 CG ARG A 147 10.793 -4.459 4.027 1.00 24.43 C -ATOM 1118 CD ARG A 147 12.077 -3.718 4.263 1.00 23.77 C -ATOM 1119 NE ARG A 147 13.410 -3.928 3.762 1.00 27.19 N -ATOM 1120 CZ ARG A 147 14.162 -2.872 3.486 1.00 25.11 C -ATOM 1121 NH1 ARG A 147 13.694 -1.623 3.646 1.00 20.84 N -ATOM 1122 NH2 ARG A 147 15.400 -3.016 3.049 1.00 25.89 N -ATOM 1123 N THR A 148 7.265 -5.311 2.542 1.00 17.12 N -ATOM 1124 CA THR A 148 6.165 -6.120 3.038 1.00 16.97 C -ATOM 1125 C THR A 148 6.654 -7.496 3.494 1.00 15.93 C -ATOM 1126 O THR A 148 5.864 -8.248 4.060 1.00 16.55 O -ATOM 1127 CB THR A 148 4.990 -6.289 2.064 1.00 19.43 C -ATOM 1128 OG1 THR A 148 5.471 -7.030 0.939 1.00 19.85 O -ATOM 1129 CG2 THR A 148 4.438 -4.922 1.633 1.00 20.75 C -ATOM 1130 N THR A 149 7.945 -7.769 3.308 1.00 14.17 N -ATOM 1131 CA THR A 149 8.554 -8.999 3.778 1.00 14.41 C -ATOM 1132 C THR A 149 9.815 -8.664 4.571 1.00 14.34 C -ATOM 1133 O THR A 149 10.635 -7.857 4.155 1.00 15.24 O -ATOM 1134 CB THR A 149 8.866 -9.984 2.611 1.00 16.53 C -ATOM 1135 OG1 THR A 149 7.597 -10.433 2.141 1.00 18.04 O -ATOM 1136 CG2 THR A 149 9.653 -11.167 3.149 1.00 16.54 C -ATOM 1137 N GLY A 150 9.935 -9.322 5.746 1.00 13.15 N -ATOM 1138 CA GLY A 150 11.116 -9.059 6.561 1.00 10.78 C -ATOM 1139 C GLY A 150 10.915 -9.481 8.018 1.00 11.20 C -ATOM 1140 O GLY A 150 9.885 -10.049 8.336 1.00 11.38 O -ATOM 1141 N ILE A 151 11.995 -9.452 8.800 1.00 10.28 N -ATOM 1142 CA ILE A 151 11.795 -9.848 10.212 1.00 10.10 C -ATOM 1143 C ILE A 151 12.052 -8.570 11.018 1.00 11.00 C -ATOM 1144 O ILE A 151 13.145 -8.000 10.907 1.00 11.78 O -ATOM 1145 CB ILE A 151 12.624 -11.053 10.664 1.00 11.35 C -ATOM 1146 CG1 ILE A 151 12.343 -11.316 12.137 1.00 11.02 C -ATOM 1147 CG2 ILE A 151 14.113 -10.882 10.352 1.00 11.97 C -ATOM 1148 CD1 ILE A 151 12.919 -12.617 12.699 1.00 12.46 C -ATOM 1149 N VAL A 152 11.059 -8.195 11.814 1.00 9.96 N -ATOM 1150 CA VAL A 152 11.241 -6.986 12.643 1.00 10.89 C -ATOM 1151 C VAL A 152 11.746 -7.342 14.034 1.00 10.58 C -ATOM 1152 O VAL A 152 11.285 -8.305 14.662 1.00 11.56 O -ATOM 1153 CB VAL A 152 9.859 -6.297 12.732 1.00 10.51 C -ATOM 1154 CG1 VAL A 152 9.870 -5.196 13.776 1.00 13.20 C -ATOM 1155 CG2 VAL A 152 9.448 -5.722 11.363 1.00 12.08 C -ATOM 1156 N LEU A 153 12.733 -6.572 14.509 1.00 9.87 N -ATOM 1157 CA LEU A 153 13.091 -6.616 15.937 1.00 11.61 C -ATOM 1158 C LEU A 153 12.472 -5.327 16.530 1.00 11.61 C -ATOM 1159 O LEU A 153 12.973 -4.259 16.168 1.00 12.34 O -ATOM 1160 CB LEU A 153 14.590 -6.621 16.189 1.00 13.78 C -ATOM 1161 CG LEU A 153 15.001 -6.449 17.687 1.00 18.25 C -ATOM 1162 CD1 LEU A 153 14.713 -7.753 18.397 1.00 19.63 C -ATOM 1163 CD2 LEU A 153 16.411 -5.882 17.742 1.00 20.29 C -ATOM 1164 N ASP A 154 11.485 -5.494 17.407 1.00 11.44 N -ATOM 1165 CA ASP A 154 10.813 -4.318 17.981 1.00 12.58 C -ATOM 1166 C ASP A 154 11.104 -4.314 19.479 1.00 12.08 C -ATOM 1167 O ASP A 154 10.641 -5.234 20.165 1.00 12.48 O -ATOM 1168 CB ASP A 154 9.304 -4.396 17.803 1.00 14.74 C -ATOM 1169 CG ASP A 154 8.536 -3.201 18.318 1.00 16.30 C -ATOM 1170 OD1 ASP A 154 9.012 -2.495 19.249 1.00 16.91 O -ATOM 1171 OD2 ASP A 154 7.408 -2.981 17.798 1.00 18.38 O -ATOM 1172 N SER A 155 11.926 -3.374 19.877 1.00 10.89 N -ATOM 1173 CA SER A 155 12.235 -3.232 21.319 1.00 11.02 C -ATOM 1174 C SER A 155 11.781 -1.846 21.806 1.00 9.87 C -ATOM 1175 O SER A 155 12.270 -0.816 21.344 1.00 10.23 O -ATOM 1176 CB SER A 155 13.751 -3.411 21.486 1.00 12.12 C -ATOM 1177 OG SER A 155 14.037 -3.524 22.881 1.00 13.35 O -ATOM 1178 N GLY A 156 10.815 -1.921 22.730 1.00 10.14 N -ATOM 1179 CA GLY A 156 10.199 -0.658 23.210 1.00 9.67 C -ATOM 1180 C GLY A 156 10.493 -0.395 24.667 1.00 9.33 C -ATOM 1181 O GLY A 156 11.655 -0.350 25.039 1.00 10.38 O -ATOM 1182 N ASP A 157 9.445 -0.259 25.474 1.00 9.75 N -ATOM 1183 CA ASP A 157 9.676 0.058 26.881 1.00 10.11 C -ATOM 1184 C ASP A 157 9.559 -1.153 27.784 1.00 10.41 C -ATOM 1185 O ASP A 157 10.482 -1.408 28.564 1.00 11.12 O -ATOM 1186 CB ASP A 157 8.690 1.182 27.254 1.00 11.37 C -ATOM 1187 CG ASP A 157 9.062 1.767 28.598 1.00 14.03 C -ATOM 1188 OD1 ASP A 157 10.150 2.356 28.769 1.00 14.11 O -ATOM 1189 OD2 ASP A 157 8.273 1.657 29.569 1.00 15.05 O -ATOM 1190 N GLY A 158 8.520 -1.979 27.642 1.00 10.18 N -ATOM 1191 CA GLY A 158 8.342 -3.106 28.525 1.00 10.14 C -ATOM 1192 C GLY A 158 8.510 -4.452 27.836 1.00 13.52 C -ATOM 1193 O GLY A 158 8.608 -5.416 28.597 1.00 16.54 O -ATOM 1194 N VAL A 159 8.676 -4.476 26.512 1.00 10.91 N -ATOM 1195 CA VAL A 159 8.735 -5.784 25.846 1.00 11.86 C -ATOM 1196 C VAL A 159 9.529 -5.630 24.556 1.00 11.22 C -ATOM 1197 O VAL A 159 9.560 -4.560 23.977 1.00 10.32 O -ATOM 1198 CB VAL A 159 7.294 -6.302 25.561 1.00 12.44 C -ATOM 1199 CG1 VAL A 159 6.525 -5.471 24.548 1.00 13.80 C -ATOM 1200 CG2 VAL A 159 7.347 -7.778 25.165 1.00 15.27 C -ATOM 1201 N THR A 160 10.104 -6.729 24.120 1.00 10.79 N -ATOM 1202 CA THR A 160 10.839 -6.837 22.877 1.00 11.05 C -ATOM 1203 C THR A 160 10.309 -8.066 22.132 1.00 12.07 C -ATOM 1204 O THR A 160 10.052 -9.091 22.733 1.00 13.91 O -ATOM 1205 CB THR A 160 12.346 -7.007 23.127 1.00 13.08 C -ATOM 1206 OG1 THR A 160 12.857 -5.814 23.768 1.00 12.07 O -ATOM 1207 CG2 THR A 160 13.142 -7.188 21.836 1.00 11.26 C -ATOM 1208 N HIS A 161 10.046 -7.907 20.837 1.00 12.43 N -ATOM 1209 CA HIS A 161 9.586 -9.043 20.053 1.00 11.16 C -ATOM 1210 C HIS A 161 10.414 -9.194 18.771 1.00 11.52 C -ATOM 1211 O HIS A 161 10.911 -8.213 18.212 1.00 12.13 O -ATOM 1212 CB HIS A 161 8.152 -8.873 19.563 1.00 12.38 C -ATOM 1213 CG HIS A 161 7.087 -9.098 20.584 1.00 15.29 C -ATOM 1214 ND1 HIS A 161 6.528 -8.075 21.312 1.00 16.63 N -ATOM 1215 CD2 HIS A 161 6.519 -10.251 21.001 1.00 18.06 C -ATOM 1216 CE1 HIS A 161 5.624 -8.586 22.120 1.00 18.33 C -ATOM 1217 NE2 HIS A 161 5.601 -9.893 21.975 1.00 18.64 N -ATOM 1218 N ASN A 162 10.473 -10.433 18.290 1.00 11.24 N -ATOM 1219 CA ASN A 162 11.012 -10.709 16.970 1.00 12.94 C -ATOM 1220 C ASN A 162 9.809 -11.209 16.165 1.00 12.80 C -ATOM 1221 O ASN A 162 9.078 -12.103 16.613 1.00 14.08 O -ATOM 1222 CB ASN A 162 12.102 -11.772 16.913 1.00 15.20 C -ATOM 1223 CG ASN A 162 13.228 -11.676 17.903 1.00 18.43 C -ATOM 1224 OD1 ASN A 162 13.125 -12.217 19.019 1.00 24.18 O -ATOM 1225 ND2 ASN A 162 14.265 -10.946 17.634 1.00 21.83 N -ATOM 1226 N VAL A 163 9.452 -10.497 15.069 1.00 11.79 N -ATOM 1227 CA VAL A 163 8.275 -10.830 14.285 1.00 11.55 C -ATOM 1228 C VAL A 163 8.602 -10.997 12.805 1.00 11.28 C -ATOM 1229 O VAL A 163 8.777 -10.031 12.072 1.00 11.52 O -ATOM 1230 CB VAL A 163 7.210 -9.700 14.399 1.00 13.44 C -ATOM 1231 CG1 VAL A 163 5.933 -10.093 13.660 1.00 14.43 C -ATOM 1232 CG2 VAL A 163 6.885 -9.351 15.862 1.00 15.03 C -ATOM 1233 N PRO A 164 8.636 -12.246 12.322 1.00 11.13 N -ATOM 1234 CA PRO A 164 8.843 -12.477 10.897 1.00 11.62 C -ATOM 1235 C PRO A 164 7.534 -12.291 10.139 1.00 12.04 C -ATOM 1236 O PRO A 164 6.462 -12.706 10.590 1.00 12.88 O -ATOM 1237 CB PRO A 164 9.304 -13.918 10.859 1.00 12.28 C -ATOM 1238 CG PRO A 164 8.750 -14.558 12.066 1.00 12.92 C -ATOM 1239 CD PRO A 164 8.486 -13.485 13.104 1.00 11.36 C -ATOM 1240 N ILE A 165 7.638 -11.631 8.986 1.00 11.60 N -ATOM 1241 CA ILE A 165 6.477 -11.213 8.213 1.00 12.66 C -ATOM 1242 C ILE A 165 6.712 -11.541 6.737 1.00 13.48 C -ATOM 1243 O ILE A 165 7.747 -11.184 6.197 1.00 12.70 O -ATOM 1244 CB ILE A 165 6.245 -9.699 8.375 1.00 12.03 C -ATOM 1245 CG1 ILE A 165 5.814 -9.328 9.807 1.00 12.51 C -ATOM 1246 CG2 ILE A 165 5.172 -9.197 7.393 1.00 13.75 C -ATOM 1247 CD1 ILE A 165 6.302 -7.927 10.203 1.00 12.12 C -ATOM 1248 N TYR A 166 5.748 -12.225 6.124 1.00 16.39 N -ATOM 1249 CA TYR A 166 5.867 -12.566 4.706 1.00 18.38 C -ATOM 1250 C TYR A 166 4.680 -11.966 3.951 1.00 17.88 C -ATOM 1251 O TYR A 166 3.533 -12.266 4.292 1.00 19.64 O -ATOM 1252 CB TYR A 166 5.950 -14.082 4.533 1.00 20.43 C -ATOM 1253 CG TYR A 166 6.393 -14.474 3.127 1.00 24.27 C -ATOM 1254 CD1 TYR A 166 7.703 -14.330 2.723 1.00 25.90 C -ATOM 1255 CD2 TYR A 166 5.465 -14.981 2.243 1.00 27.53 C -ATOM 1256 CE1 TYR A 166 8.107 -14.676 1.437 1.00 28.29 C -ATOM 1257 CE2 TYR A 166 5.854 -15.337 0.955 1.00 27.92 C -ATOM 1258 CZ TYR A 166 7.163 -15.191 0.576 1.00 28.03 C -ATOM 1259 OH TYR A 166 7.532 -15.550 -0.705 1.00 30.61 O -ATOM 1260 N GLU A 167 4.970 -11.064 3.024 1.00 19.47 N -ATOM 1261 CA GLU A 167 3.967 -10.365 2.238 1.00 23.15 C -ATOM 1262 C GLU A 167 2.859 -9.787 3.098 1.00 23.27 C -ATOM 1263 O GLU A 167 1.665 -10.001 2.863 1.00 24.18 O -ATOM 1264 CB GLU A 167 3.439 -11.313 1.158 1.00 25.79 C -ATOM 1265 CG GLU A 167 4.467 -11.839 0.183 1.00 30.79 C -ATOM 1266 CD GLU A 167 4.012 -12.920 -0.766 1.00 34.05 C -ATOM 1267 OE1 GLU A 167 3.128 -13.744 -0.450 1.00 36.63 O -ATOM 1268 OE2 GLU A 167 4.560 -12.986 -1.894 1.00 36.27 O -ATOM 1269 N GLY A 168 3.185 -9.078 4.185 1.00 21.18 N -ATOM 1270 CA GLY A 168 2.205 -8.472 5.058 1.00 21.89 C -ATOM 1271 C GLY A 168 1.656 -9.340 6.161 1.00 22.28 C -ATOM 1272 O GLY A 168 0.960 -8.829 7.052 1.00 23.12 O -ATOM 1273 N TYR A 169 1.930 -10.644 6.131 1.00 20.28 N -ATOM 1274 CA TYR A 169 1.436 -11.557 7.144 1.00 22.51 C -ATOM 1275 C TYR A 169 2.483 -11.894 8.201 1.00 20.01 C -ATOM 1276 O TYR A 169 3.523 -12.476 7.886 1.00 21.24 O -ATOM 1277 CB TYR A 169 0.936 -12.851 6.486 1.00 23.69 C -ATOM 1278 CG TYR A 169 0.435 -13.953 7.378 1.00 28.02 C -ATOM 1279 CD1 TYR A 169 -0.729 -13.795 8.112 1.00 29.92 C -ATOM 1280 CD2 TYR A 169 1.110 -15.166 7.489 1.00 30.24 C -ATOM 1281 CE1 TYR A 169 -1.210 -14.797 8.937 1.00 31.56 C -ATOM 1282 CE2 TYR A 169 0.641 -16.179 8.313 1.00 31.91 C -ATOM 1283 CZ TYR A 169 -0.515 -15.985 9.030 1.00 32.08 C -ATOM 1284 OH TYR A 169 -1.018 -16.971 9.852 1.00 34.37 O -ATOM 1285 N ALA A 170 2.162 -11.600 9.455 1.00 19.73 N -ATOM 1286 CA ALA A 170 3.064 -11.930 10.564 1.00 20.05 C -ATOM 1287 C ALA A 170 2.869 -13.434 10.771 1.00 20.79 C -ATOM 1288 O ALA A 170 1.701 -13.853 10.770 1.00 23.54 O -ATOM 1289 CB ALA A 170 2.756 -11.158 11.827 1.00 20.48 C -ATOM 1290 N LEU A 171 3.924 -14.189 10.942 1.00 17.11 N -ATOM 1291 CA LEU A 171 3.784 -15.657 11.125 1.00 16.45 C -ATOM 1292 C LEU A 171 3.723 -15.949 12.608 1.00 15.42 C -ATOM 1293 O LEU A 171 4.745 -15.956 13.280 1.00 15.21 O -ATOM 1294 CB LEU A 171 5.042 -16.242 10.468 1.00 18.28 C -ATOM 1295 CG LEU A 171 5.087 -15.937 8.962 1.00 20.59 C -ATOM 1296 CD1 LEU A 171 6.472 -16.180 8.389 1.00 22.13 C -ATOM 1297 CD2 LEU A 171 4.020 -16.729 8.233 1.00 24.25 C -ATOM 1298 N PRO A 172 2.537 -16.237 13.147 1.00 16.84 N -ATOM 1299 CA PRO A 172 2.366 -16.296 14.583 1.00 14.94 C -ATOM 1300 C PRO A 172 3.164 -17.345 15.296 1.00 14.39 C -ATOM 1301 O PRO A 172 3.666 -17.133 16.400 1.00 14.80 O -ATOM 1302 CB PRO A 172 0.876 -16.473 14.795 1.00 17.92 C -ATOM 1303 CG PRO A 172 0.219 -16.149 13.519 1.00 19.80 C -ATOM 1304 CD PRO A 172 1.254 -16.317 12.432 1.00 17.74 C -ATOM 1305 N HIS A 173 3.344 -18.513 14.648 1.00 14.23 N -ATOM 1306 CA HIS A 173 4.126 -19.558 15.296 1.00 14.56 C -ATOM 1307 C HIS A 173 5.605 -19.255 15.446 1.00 14.13 C -ATOM 1308 O HIS A 173 6.283 -19.900 16.232 1.00 16.97 O -ATOM 1309 CB HIS A 173 3.921 -20.886 14.501 1.00 15.79 C -ATOM 1310 CG HIS A 173 4.472 -20.682 13.108 1.00 18.04 C -ATOM 1311 ND1 HIS A 173 3.715 -20.074 12.125 1.00 20.63 N -ATOM 1312 CD2 HIS A 173 5.654 -21.008 12.534 1.00 20.49 C -ATOM 1313 CE1 HIS A 173 4.429 -20.006 11.022 1.00 21.40 C -ATOM 1314 NE2 HIS A 173 5.611 -20.545 11.245 1.00 22.36 N -ATOM 1315 N ALA A 174 6.148 -18.239 14.733 1.00 12.95 N -ATOM 1316 CA ALA A 174 7.554 -17.917 14.791 1.00 13.65 C -ATOM 1317 C ALA A 174 7.855 -16.614 15.555 1.00 12.79 C -ATOM 1318 O ALA A 174 9.027 -16.236 15.637 1.00 12.71 O -ATOM 1319 CB ALA A 174 8.117 -17.797 13.370 1.00 14.75 C -ATOM 1320 N ILE A 175 6.809 -16.043 16.138 1.00 12.13 N -ATOM 1321 CA ILE A 175 7.035 -14.789 16.906 1.00 12.72 C -ATOM 1322 C ILE A 175 7.708 -15.120 18.226 1.00 15.32 C -ATOM 1323 O ILE A 175 7.331 -16.085 18.906 1.00 16.57 O -ATOM 1324 CB ILE A 175 5.683 -14.075 17.084 1.00 12.29 C -ATOM 1325 CG1 ILE A 175 5.260 -13.501 15.718 1.00 14.06 C -ATOM 1326 CG2 ILE A 175 5.850 -12.933 18.119 1.00 13.27 C -ATOM 1327 CD1 ILE A 175 3.849 -12.946 15.672 1.00 14.52 C -ATOM 1328 N MET A 176 8.704 -14.335 18.606 1.00 14.56 N -ATOM 1329 CA MET A 176 9.427 -14.522 19.874 1.00 16.52 C -ATOM 1330 C MET A 176 9.232 -13.271 20.736 1.00 16.65 C -ATOM 1331 O MET A 176 9.193 -12.170 20.200 1.00 15.49 O -ATOM 1332 CB MET A 176 10.903 -14.740 19.583 1.00 16.63 C -ATOM 1333 CG MET A 176 11.296 -15.919 18.709 1.00 19.16 C -ATOM 1334 SD MET A 176 11.048 -17.485 19.585 1.00 21.30 S -ATOM 1335 CE MET A 176 11.165 -18.650 18.256 1.00 21.37 C -ATOM 1336 N ARG A 177 8.965 -13.424 22.016 1.00 20.07 N -ATOM 1337 CA ARG A 177 8.729 -12.317 22.956 1.00 21.00 C -ATOM 1338 C ARG A 177 9.741 -12.325 24.090 1.00 22.85 C -ATOM 1339 O ARG A 177 9.774 -13.339 24.806 1.00 23.78 O -ATOM 1340 CB ARG A 177 7.323 -12.430 23.542 1.00 23.11 C -ATOM 1341 CG ARG A 177 6.947 -11.468 24.671 1.00 22.84 C -ATOM 1342 CD ARG A 177 5.494 -11.635 25.115 1.00 24.42 C -ATOM 1343 NE ARG A 177 5.309 -11.111 26.477 1.00 26.37 N -ATOM 1344 CZ ARG A 177 4.206 -11.267 27.209 1.00 27.57 C -ATOM 1345 NH1 ARG A 177 3.158 -11.920 26.726 1.00 27.24 N -ATOM 1346 NH2 ARG A 177 4.145 -10.768 28.445 1.00 27.40 N -ATOM 1347 N LEU A 178 10.434 -11.214 24.354 1.00 19.95 N -ATOM 1348 CA LEU A 178 11.432 -11.167 25.440 1.00 20.71 C -ATOM 1349 C LEU A 178 10.970 -10.084 26.398 1.00 20.62 C -ATOM 1350 O LEU A 178 10.874 -8.949 25.967 1.00 17.73 O -ATOM 1351 CB LEU A 178 12.824 -10.818 24.923 1.00 21.85 C -ATOM 1352 CG LEU A 178 13.876 -10.383 25.949 1.00 23.73 C -ATOM 1353 CD1 LEU A 178 14.186 -11.587 26.850 1.00 23.47 C -ATOM 1354 CD2 LEU A 178 15.164 -9.877 25.354 1.00 22.17 C -ATOM 1355 N ASP A 179 10.596 -10.340 27.657 1.00 21.52 N -ATOM 1356 CA ASP A 179 10.068 -9.318 28.533 1.00 22.47 C -ATOM 1357 C ASP A 179 11.172 -8.518 29.233 1.00 21.53 C -ATOM 1358 O ASP A 179 11.350 -8.442 30.449 1.00 21.79 O -ATOM 1359 CB ASP A 179 9.103 -9.951 29.537 1.00 25.27 C -ATOM 1360 CG ASP A 179 7.698 -10.153 29.019 1.00 26.48 C -ATOM 1361 OD1 ASP A 179 7.285 -9.724 27.921 1.00 26.89 O -ATOM 1362 OD2 ASP A 179 6.886 -10.754 29.782 1.00 27.37 O -ATOM 1363 N LEU A 180 11.941 -7.873 28.386 1.00 17.86 N -ATOM 1364 CA LEU A 180 13.022 -6.979 28.734 1.00 16.84 C -ATOM 1365 C LEU A 180 13.066 -5.885 27.690 1.00 14.64 C -ATOM 1366 O LEU A 180 13.132 -6.229 26.499 1.00 14.72 O -ATOM 1367 CB LEU A 180 14.284 -7.850 28.582 1.00 19.32 C -ATOM 1368 CG LEU A 180 15.583 -7.299 29.114 1.00 19.96 C -ATOM 1369 CD1 LEU A 180 16.582 -8.444 29.306 1.00 18.36 C -ATOM 1370 CD2 LEU A 180 16.190 -6.205 28.259 1.00 19.66 C -ATOM 1371 N ALA A 181 13.078 -4.613 28.099 1.00 12.46 N -ATOM 1372 CA ALA A 181 13.269 -3.553 27.105 1.00 11.46 C -ATOM 1373 C ALA A 181 13.721 -2.260 27.790 1.00 11.77 C -ATOM 1374 O ALA A 181 14.466 -2.362 28.770 1.00 11.48 O -ATOM 1375 CB ALA A 181 12.079 -3.352 26.187 1.00 12.39 C -ATOM 1376 N GLY A 182 13.350 -1.090 27.274 1.00 10.52 N -ATOM 1377 CA GLY A 182 13.949 0.119 27.812 1.00 10.85 C -ATOM 1378 C GLY A 182 13.741 0.404 29.292 1.00 10.64 C -ATOM 1379 O GLY A 182 14.653 0.982 29.916 1.00 10.09 O -ATOM 1380 N ARG A 183 12.636 0.061 29.896 1.00 11.12 N -ATOM 1381 CA ARG A 183 12.424 0.361 31.316 1.00 12.83 C -ATOM 1382 C ARG A 183 13.429 -0.434 32.147 1.00 12.76 C -ATOM 1383 O ARG A 183 13.982 0.117 33.103 1.00 13.54 O -ATOM 1384 CB ARG A 183 11.003 0.140 31.803 1.00 15.64 C -ATOM 1385 CG ARG A 183 10.490 -1.273 31.800 1.00 15.18 C -ATOM 1386 CD ARG A 183 9.078 -1.352 32.414 1.00 13.61 C -ATOM 1387 NE ARG A 183 8.178 -0.640 31.480 1.00 13.41 N -ATOM 1388 CZ ARG A 183 7.020 -1.188 31.071 1.00 13.23 C -ATOM 1389 NH1 ARG A 183 6.552 -2.327 31.531 1.00 13.18 N -ATOM 1390 NH2 ARG A 183 6.376 -0.478 30.137 1.00 13.97 N -ATOM 1391 N ASP A 184 13.734 -1.662 31.713 1.00 11.50 N -ATOM 1392 CA ASP A 184 14.746 -2.460 32.404 1.00 13.24 C -ATOM 1393 C ASP A 184 16.153 -1.892 32.250 1.00 12.25 C -ATOM 1394 O ASP A 184 16.979 -1.970 33.187 1.00 12.46 O -ATOM 1395 CB ASP A 184 14.755 -3.899 31.867 1.00 15.20 C -ATOM 1396 CG ASP A 184 13.333 -4.419 31.973 1.00 18.46 C -ATOM 1397 OD1 ASP A 184 12.961 -4.764 33.120 1.00 21.92 O -ATOM 1398 OD2 ASP A 184 12.542 -4.377 31.004 1.00 19.58 O -ATOM 1399 N LEU A 185 16.464 -1.424 31.037 1.00 10.20 N -ATOM 1400 CA LEU A 185 17.773 -0.822 30.799 1.00 10.46 C -ATOM 1401 C LEU A 185 17.916 0.455 31.646 1.00 10.69 C -ATOM 1402 O LEU A 185 19.009 0.681 32.149 1.00 11.53 O -ATOM 1403 CB LEU A 185 17.972 -0.517 29.319 1.00 12.69 C -ATOM 1404 CG LEU A 185 18.026 -1.734 28.377 1.00 13.77 C -ATOM 1405 CD1 LEU A 185 18.589 -1.273 27.032 1.00 14.14 C -ATOM 1406 CD2 LEU A 185 18.852 -2.868 28.923 1.00 16.15 C -ATOM 1407 N THR A 186 16.879 1.294 31.801 1.00 9.82 N -ATOM 1408 CA THR A 186 17.033 2.483 32.657 1.00 10.35 C -ATOM 1409 C THR A 186 17.258 2.048 34.105 1.00 11.86 C -ATOM 1410 O THR A 186 18.152 2.589 34.753 1.00 12.58 O -ATOM 1411 CB THR A 186 15.726 3.273 32.559 1.00 10.38 C -ATOM 1412 OG1 THR A 186 15.685 3.845 31.217 1.00 11.89 O -ATOM 1413 CG2 THR A 186 15.711 4.420 33.561 1.00 12.16 C -ATOM 1414 N ASP A 187 16.487 1.064 34.592 1.00 11.90 N -ATOM 1415 CA ASP A 187 16.712 0.593 35.966 1.00 14.36 C -ATOM 1416 C ASP A 187 18.120 0.036 36.172 1.00 14.19 C -ATOM 1417 O ASP A 187 18.738 0.302 37.194 1.00 14.59 O -ATOM 1418 CB ASP A 187 15.716 -0.564 36.223 1.00 16.71 C -ATOM 1419 CG ASP A 187 14.271 -0.091 36.270 1.00 22.40 C -ATOM 1420 OD1 ASP A 187 14.062 1.119 36.442 1.00 25.57 O -ATOM 1421 OD2 ASP A 187 13.393 -0.974 36.147 1.00 27.96 O -ATOM 1422 N TYR A 188 18.647 -0.684 35.177 1.00 12.26 N -ATOM 1423 CA TYR A 188 19.995 -1.276 35.285 1.00 11.86 C -ATOM 1424 C TYR A 188 21.045 -0.169 35.264 1.00 11.94 C -ATOM 1425 O TYR A 188 21.995 -0.261 36.035 1.00 12.12 O -ATOM 1426 CB TYR A 188 20.203 -2.242 34.110 1.00 11.41 C -ATOM 1427 CG TYR A 188 21.518 -2.978 34.124 1.00 10.44 C -ATOM 1428 CD1 TYR A 188 21.890 -3.724 35.232 1.00 12.02 C -ATOM 1429 CD2 TYR A 188 22.356 -2.994 33.004 1.00 11.52 C -ATOM 1430 CE1 TYR A 188 23.092 -4.416 35.263 1.00 12.11 C -ATOM 1431 CE2 TYR A 188 23.537 -3.735 33.026 1.00 12.28 C -ATOM 1432 CZ TYR A 188 23.905 -4.416 34.161 1.00 12.31 C -ATOM 1433 OH TYR A 188 25.089 -5.138 34.125 1.00 13.17 O -ATOM 1434 N LEU A 189 20.905 0.860 34.415 1.00 12.08 N -ATOM 1435 CA LEU A 189 21.864 1.968 34.475 1.00 12.55 C -ATOM 1436 C LEU A 189 21.823 2.684 35.827 1.00 13.68 C -ATOM 1437 O LEU A 189 22.892 3.055 36.312 1.00 15.09 O -ATOM 1438 CB LEU A 189 21.621 2.918 33.315 1.00 13.28 C -ATOM 1439 CG LEU A 189 22.621 4.060 33.168 1.00 11.91 C -ATOM 1440 CD1 LEU A 189 24.051 3.503 32.978 1.00 13.31 C -ATOM 1441 CD2 LEU A 189 22.241 4.937 31.969 1.00 12.56 C -ATOM 1442 N MET A 190 20.671 2.847 36.443 1.00 13.34 N -ATOM 1443 CA MET A 190 20.674 3.459 37.777 1.00 13.66 C -ATOM 1444 C MET A 190 21.521 2.608 38.725 1.00 14.57 C -ATOM 1445 O MET A 190 22.322 3.147 39.478 1.00 15.86 O -ATOM 1446 CB MET A 190 19.263 3.522 38.353 1.00 15.15 C -ATOM 1447 CG MET A 190 18.325 4.391 37.538 1.00 17.15 C -ATOM 1448 SD MET A 190 16.632 4.271 38.159 1.00 15.85 S -ATOM 1449 CE MET A 190 16.768 5.223 39.679 1.00 18.08 C -ATOM 1450 N LYS A 191 21.313 1.302 38.667 1.00 13.62 N -ATOM 1451 CA LYS A 191 22.040 0.414 39.564 1.00 16.75 C -ATOM 1452 C LYS A 191 23.540 0.415 39.331 1.00 15.56 C -ATOM 1453 O LYS A 191 24.342 0.430 40.295 1.00 15.73 O -ATOM 1454 CB LYS A 191 21.456 -1.002 39.403 1.00 17.28 C -ATOM 1455 CG LYS A 191 22.235 -1.985 40.273 1.00 24.29 C -ATOM 1456 CD LYS A 191 22.168 -1.582 41.746 1.00 27.53 C -ATOM 1457 CE LYS A 191 22.968 -2.568 42.594 1.00 27.90 C -ATOM 1458 NZ LYS A 191 22.746 -2.347 44.048 1.00 31.13 N -ATOM 1459 N ILE A 192 23.961 0.366 38.071 1.00 14.19 N -ATOM 1460 CA ILE A 192 25.411 0.283 37.816 1.00 15.81 C -ATOM 1461 C ILE A 192 26.097 1.607 38.124 1.00 16.65 C -ATOM 1462 O ILE A 192 27.297 1.562 38.442 1.00 16.26 O -ATOM 1463 CB ILE A 192 25.733 -0.282 36.428 1.00 16.17 C -ATOM 1464 CG1 ILE A 192 25.335 0.634 35.270 1.00 17.00 C -ATOM 1465 CG2 ILE A 192 25.074 -1.653 36.296 1.00 17.88 C -ATOM 1466 CD1 ILE A 192 25.744 0.036 33.909 1.00 17.10 C -ATOM 1467 N LEU A 193 25.427 2.743 37.996 1.00 17.15 N -ATOM 1468 CA LEU A 193 26.016 4.041 38.338 1.00 18.11 C -ATOM 1469 C LEU A 193 26.159 4.186 39.845 1.00 20.55 C -ATOM 1470 O LEU A 193 27.113 4.754 40.392 1.00 18.97 O -ATOM 1471 CB LEU A 193 25.179 5.207 37.810 1.00 18.92 C -ATOM 1472 CG LEU A 193 25.336 5.444 36.297 1.00 18.24 C -ATOM 1473 CD1 LEU A 193 24.298 6.456 35.819 1.00 19.45 C -ATOM 1474 CD2 LEU A 193 26.751 5.874 35.983 1.00 19.70 C -ATOM 1475 N THR A 194 25.235 3.521 40.534 1.00 20.83 N -ATOM 1476 CA THR A 194 25.262 3.511 41.994 1.00 23.56 C -ATOM 1477 C THR A 194 26.443 2.691 42.469 1.00 24.08 C -ATOM 1478 O THR A 194 27.037 3.043 43.498 1.00 27.37 O -ATOM 1479 CB THR A 194 23.859 3.148 42.503 1.00 23.65 C -ATOM 1480 OG1 THR A 194 22.972 4.159 41.959 1.00 24.54 O -ATOM 1481 CG2 THR A 194 23.849 3.258 44.016 1.00 24.18 C -ATOM 1482 N GLU A 195 27.011 1.779 41.684 1.00 25.79 N -ATOM 1483 CA GLU A 195 28.226 1.050 41.910 1.00 25.76 C -ATOM 1484 C GLU A 195 29.474 1.918 42.029 1.00 27.75 C -ATOM 1485 O GLU A 195 30.341 1.568 42.850 1.00 28.91 O -ATOM 1486 CB GLU A 195 28.543 -0.001 40.820 1.00 25.05 C -ATOM 1487 CG GLU A 195 27.657 -1.194 40.666 1.00 24.39 C -ATOM 1488 CD GLU A 195 28.004 -2.080 39.470 1.00 22.63 C -ATOM 1489 OE1 GLU A 195 29.039 -1.950 38.812 1.00 21.94 O -ATOM 1490 OE2 GLU A 195 27.147 -2.948 39.199 1.00 24.32 O -ATOM 1491 N ARG A 196 29.601 3.033 41.313 1.00 27.51 N -ATOM 1492 CA ARG A 196 30.702 3.956 41.349 1.00 29.32 C -ATOM 1493 C ARG A 196 30.678 4.900 42.554 1.00 29.73 C -ATOM 1494 O ARG A 196 31.561 5.763 42.679 1.00 32.48 O -ATOM 1495 CB ARG A 196 30.740 4.871 40.119 1.00 31.07 C -ATOM 1496 CG ARG A 196 31.348 4.415 38.804 1.00 33.44 C -ATOM 1497 CD ARG A 196 31.898 5.642 38.071 1.00 34.57 C -ATOM 1498 NE ARG A 196 31.789 5.601 36.616 1.00 37.24 N -ATOM 1499 CZ ARG A 196 32.837 5.561 35.790 1.00 38.56 C -ATOM 1500 NH1 ARG A 196 34.080 5.619 36.249 1.00 39.39 N -ATOM 1501 NH2 ARG A 196 32.691 5.484 34.470 1.00 39.33 N -ATOM 1502 N GLY A 197 29.648 4.854 43.386 1.00 27.33 N -ATOM 1503 CA GLY A 197 29.573 5.737 44.541 1.00 26.09 C -ATOM 1504 C GLY A 197 28.554 6.844 44.344 1.00 24.89 C -ATOM 1505 O GLY A 197 28.284 7.637 45.239 1.00 24.37 O -ATOM 1506 N TYR A 198 27.961 6.880 43.155 1.00 22.48 N -ATOM 1507 CA TYR A 198 26.856 7.795 42.918 1.00 20.54 C -ATOM 1508 C TYR A 198 25.602 7.206 43.556 1.00 20.53 C -ATOM 1509 O TYR A 198 25.640 6.041 43.967 1.00 21.32 O -ATOM 1510 CB TYR A 198 26.620 8.013 41.426 1.00 19.34 C -ATOM 1511 CG TYR A 198 27.785 8.576 40.658 1.00 18.27 C -ATOM 1512 CD1 TYR A 198 28.496 9.674 41.112 1.00 20.01 C -ATOM 1513 CD2 TYR A 198 28.164 8.036 39.437 1.00 17.43 C -ATOM 1514 CE1 TYR A 198 29.561 10.184 40.402 1.00 19.82 C -ATOM 1515 CE2 TYR A 198 29.217 8.543 38.705 1.00 18.97 C -ATOM 1516 CZ TYR A 198 29.910 9.622 39.192 1.00 18.79 C -ATOM 1517 OH TYR A 198 30.970 10.160 38.489 1.00 20.59 O -ATOM 1518 N SER A 199 24.537 7.983 43.609 1.00 18.04 N -ATOM 1519 CA SER A 199 23.276 7.480 44.150 1.00 18.53 C -ATOM 1520 C SER A 199 22.106 7.957 43.299 1.00 17.50 C -ATOM 1521 O SER A 199 21.724 9.109 43.345 1.00 17.06 O -ATOM 1522 CB SER A 199 23.066 7.931 45.612 1.00 20.64 C -ATOM 1523 OG SER A 199 21.876 7.257 46.055 1.00 23.26 O -ATOM 1524 N PHE A 200 21.586 7.044 42.464 1.00 16.50 N -ATOM 1525 CA PHE A 200 20.419 7.344 41.650 1.00 15.87 C -ATOM 1526 C PHE A 200 19.328 6.352 42.041 1.00 15.64 C -ATOM 1527 O PHE A 200 19.389 5.175 41.677 1.00 16.18 O -ATOM 1528 CB PHE A 200 20.765 7.162 40.167 1.00 16.40 C -ATOM 1529 CG PHE A 200 21.749 8.183 39.654 1.00 16.11 C -ATOM 1530 CD1 PHE A 200 23.104 7.921 39.576 1.00 14.26 C -ATOM 1531 CD2 PHE A 200 21.265 9.405 39.222 1.00 16.24 C -ATOM 1532 CE1 PHE A 200 23.972 8.886 39.104 1.00 16.63 C -ATOM 1533 CE2 PHE A 200 22.134 10.375 38.749 1.00 18.17 C -ATOM 1534 CZ PHE A 200 23.500 10.104 38.681 1.00 16.48 C -ATOM 1535 N VAL A 201 18.405 6.820 42.869 1.00 16.71 N -ATOM 1536 CA VAL A 201 17.338 5.998 43.408 1.00 19.41 C -ATOM 1537 C VAL A 201 16.023 6.746 43.333 1.00 16.94 C -ATOM 1538 O VAL A 201 15.014 6.074 43.044 1.00 18.86 O -ATOM 1539 CB VAL A 201 17.605 5.554 44.875 1.00 21.15 C -ATOM 1540 CG1 VAL A 201 18.926 4.820 45.075 1.00 22.58 C -ATOM 1541 CG2 VAL A 201 17.554 6.723 45.830 1.00 25.14 C -ATOM 1542 N THR A 202 15.789 8.007 43.444 1.00 15.15 N -ATOM 1543 CA THR A 202 14.475 8.597 43.447 1.00 15.58 C -ATOM 1544 C THR A 202 13.764 8.624 42.094 1.00 15.33 C -ATOM 1545 O THR A 202 14.421 8.339 41.088 1.00 15.71 O -ATOM 1546 CB THR A 202 14.508 10.051 43.945 1.00 16.76 C -ATOM 1547 OG1 THR A 202 15.243 10.829 42.986 1.00 17.14 O -ATOM 1548 CG2 THR A 202 15.184 10.153 45.308 1.00 18.16 C -ATOM 1549 N THR A 203 12.520 9.098 42.121 1.00 16.97 N -ATOM 1550 CA THR A 203 11.777 9.218 40.851 1.00 17.98 C -ATOM 1551 C THR A 203 12.500 10.213 39.951 1.00 16.51 C -ATOM 1552 O THR A 203 12.671 9.992 38.738 1.00 16.13 O -ATOM 1553 CB THR A 203 10.339 9.653 41.151 1.00 20.07 C -ATOM 1554 OG1 THR A 203 9.692 8.527 41.798 1.00 23.31 O -ATOM 1555 CG2 THR A 203 9.509 9.996 39.932 1.00 22.16 C -ATOM 1556 N ALA A 204 12.895 11.342 40.538 1.00 17.25 N -ATOM 1557 CA ALA A 204 13.649 12.350 39.780 1.00 16.24 C -ATOM 1558 C ALA A 204 14.967 11.815 39.237 1.00 15.19 C -ATOM 1559 O ALA A 204 15.332 12.159 38.102 1.00 16.09 O -ATOM 1560 CB ALA A 204 13.942 13.529 40.706 1.00 17.37 C -ATOM 1561 N GLU A 205 15.662 11.010 40.017 1.00 14.04 N -ATOM 1562 CA GLU A 205 16.932 10.414 39.602 1.00 13.83 C -ATOM 1563 C GLU A 205 16.710 9.398 38.482 1.00 13.06 C -ATOM 1564 O GLU A 205 17.603 9.323 37.621 1.00 12.74 O -ATOM 1565 CB GLU A 205 17.662 9.781 40.795 1.00 15.92 C -ATOM 1566 CG GLU A 205 18.177 10.950 41.651 1.00 17.29 C -ATOM 1567 CD GLU A 205 18.454 10.586 43.086 1.00 19.71 C -ATOM 1568 OE1 GLU A 205 18.324 9.496 43.623 1.00 16.09 O -ATOM 1569 OE2 GLU A 205 18.891 11.612 43.662 1.00 22.21 O -ATOM 1570 N ARG A 206 15.577 8.701 38.489 1.00 13.50 N -ATOM 1571 CA ARG A 206 15.328 7.770 37.373 1.00 14.46 C -ATOM 1572 C ARG A 206 15.173 8.532 36.069 1.00 15.16 C -ATOM 1573 O ARG A 206 15.692 8.113 35.009 1.00 14.30 O -ATOM 1574 CB ARG A 206 14.063 6.949 37.721 1.00 14.20 C -ATOM 1575 CG ARG A 206 13.700 6.076 36.509 1.00 15.49 C -ATOM 1576 CD ARG A 206 12.745 4.986 36.974 1.00 18.09 C -ATOM 1577 NE ARG A 206 12.856 3.817 36.049 1.00 21.23 N -ATOM 1578 CZ ARG A 206 12.285 3.783 34.863 1.00 22.19 C -ATOM 1579 NH1 ARG A 206 11.606 4.806 34.373 1.00 23.94 N -ATOM 1580 NH2 ARG A 206 12.442 2.636 34.159 1.00 19.66 N -ATOM 1581 N GLU A 207 14.496 9.686 36.100 1.00 14.32 N -ATOM 1582 CA GLU A 207 14.357 10.524 34.898 1.00 17.95 C -ATOM 1583 C GLU A 207 15.696 11.030 34.384 1.00 16.32 C -ATOM 1584 O GLU A 207 15.974 11.045 33.178 1.00 15.77 O -ATOM 1585 CB GLU A 207 13.385 11.663 35.193 1.00 21.01 C -ATOM 1586 CG GLU A 207 11.949 11.175 35.349 1.00 26.41 C -ATOM 1587 CD GLU A 207 11.464 10.300 34.207 1.00 30.57 C -ATOM 1588 OE1 GLU A 207 11.649 10.713 33.043 1.00 32.77 O -ATOM 1589 OE2 GLU A 207 10.942 9.202 34.496 1.00 33.84 O -ATOM 1590 N ILE A 208 16.586 11.427 35.298 1.00 14.00 N -ATOM 1591 CA ILE A 208 17.952 11.826 34.926 1.00 15.10 C -ATOM 1592 C ILE A 208 18.655 10.642 34.245 1.00 14.72 C -ATOM 1593 O ILE A 208 19.264 10.859 33.190 1.00 14.35 O -ATOM 1594 CB ILE A 208 18.775 12.250 36.150 1.00 16.66 C -ATOM 1595 CG1 ILE A 208 18.117 13.559 36.670 1.00 17.99 C -ATOM 1596 CG2 ILE A 208 20.235 12.438 35.793 1.00 17.75 C -ATOM 1597 CD1 ILE A 208 18.500 13.801 38.125 1.00 19.49 C -ATOM 1598 N VAL A 209 18.580 9.463 34.875 1.00 14.40 N -ATOM 1599 CA VAL A 209 19.260 8.302 34.294 1.00 12.72 C -ATOM 1600 C VAL A 209 18.681 7.928 32.941 1.00 13.78 C -ATOM 1601 O VAL A 209 19.450 7.562 32.070 1.00 11.77 O -ATOM 1602 CB VAL A 209 19.325 7.133 35.264 1.00 13.64 C -ATOM 1603 CG1 VAL A 209 19.952 5.901 34.636 1.00 13.79 C -ATOM 1604 CG2 VAL A 209 20.199 7.512 36.472 1.00 14.32 C -ATOM 1605 N ARG A 210 17.385 8.016 32.732 1.00 13.79 N -ATOM 1606 CA ARG A 210 16.791 7.774 31.417 1.00 13.62 C -ATOM 1607 C ARG A 210 17.402 8.720 30.394 1.00 14.39 C -ATOM 1608 O ARG A 210 17.758 8.343 29.261 1.00 11.88 O -ATOM 1609 CB ARG A 210 15.269 7.984 31.502 1.00 13.66 C -ATOM 1610 CG ARG A 210 14.612 7.630 30.151 1.00 16.04 C -ATOM 1611 CD ARG A 210 13.092 7.600 30.329 1.00 21.27 C -ATOM 1612 NE ARG A 210 12.614 8.960 30.553 1.00 24.19 N -ATOM 1613 CZ ARG A 210 12.540 9.912 29.641 1.00 27.56 C -ATOM 1614 NH1 ARG A 210 12.917 9.662 28.393 1.00 28.93 N -ATOM 1615 NH2 ARG A 210 12.070 11.110 29.979 1.00 30.48 N -ATOM 1616 N ASP A 211 17.653 9.988 30.772 1.00 13.24 N -ATOM 1617 CA ASP A 211 18.298 10.937 29.868 1.00 14.74 C -ATOM 1618 C ASP A 211 19.738 10.530 29.583 1.00 13.06 C -ATOM 1619 O ASP A 211 20.170 10.560 28.439 1.00 13.47 O -ATOM 1620 CB ASP A 211 18.302 12.346 30.488 1.00 15.00 C -ATOM 1621 CG ASP A 211 18.690 13.361 29.422 1.00 18.37 C -ATOM 1622 OD1 ASP A 211 18.045 13.356 28.363 1.00 20.85 O -ATOM 1623 OD2 ASP A 211 19.667 14.086 29.642 1.00 18.25 O -ATOM 1624 N ILE A 212 20.513 10.113 30.591 1.00 12.55 N -ATOM 1625 CA ILE A 212 21.896 9.685 30.342 1.00 11.86 C -ATOM 1626 C ILE A 212 21.858 8.504 29.380 1.00 11.67 C -ATOM 1627 O ILE A 212 22.643 8.496 28.414 1.00 12.49 O -ATOM 1628 CB ILE A 212 22.573 9.265 31.653 1.00 13.80 C -ATOM 1629 CG1 ILE A 212 22.804 10.492 32.537 1.00 13.63 C -ATOM 1630 CG2 ILE A 212 23.908 8.586 31.396 1.00 13.43 C -ATOM 1631 CD1 ILE A 212 23.051 10.022 33.967 1.00 15.60 C -ATOM 1632 N LYS A 213 20.974 7.537 29.608 1.00 12.28 N -ATOM 1633 CA LYS A 213 20.873 6.369 28.728 1.00 12.98 C -ATOM 1634 C LYS A 213 20.629 6.756 27.280 1.00 12.89 C -ATOM 1635 O LYS A 213 21.325 6.273 26.360 1.00 13.69 O -ATOM 1636 CB LYS A 213 19.747 5.471 29.230 1.00 11.32 C -ATOM 1637 CG LYS A 213 19.564 4.185 28.417 1.00 12.36 C -ATOM 1638 CD LYS A 213 18.219 3.575 28.792 1.00 10.02 C -ATOM 1639 CE LYS A 213 17.004 4.257 28.174 1.00 11.41 C -ATOM 1640 NZ LYS A 213 15.793 3.403 28.340 1.00 12.49 N -ATOM 1641 N GLU A 214 19.635 7.612 27.066 1.00 12.66 N -ATOM 1642 CA GLU A 214 19.257 8.002 25.703 1.00 13.78 C -ATOM 1643 C GLU A 214 20.291 8.882 25.023 1.00 14.58 C -ATOM 1644 O GLU A 214 20.248 8.988 23.777 1.00 18.56 O -ATOM 1645 CB GLU A 214 17.889 8.709 25.723 1.00 14.71 C -ATOM 1646 CG GLU A 214 16.783 7.827 26.284 1.00 14.23 C -ATOM 1647 CD GLU A 214 15.427 8.482 26.332 1.00 16.90 C -ATOM 1648 OE1 GLU A 214 15.287 9.689 25.990 1.00 19.88 O -ATOM 1649 OE2 GLU A 214 14.412 7.882 26.746 1.00 16.16 O -ATOM 1650 N LYS A 215 21.104 9.609 25.776 1.00 13.54 N -ATOM 1651 CA LYS A 215 22.108 10.474 25.151 1.00 14.95 C -ATOM 1652 C LYS A 215 23.482 9.868 25.031 1.00 15.17 C -ATOM 1653 O LYS A 215 24.187 10.245 24.059 1.00 17.52 O -ATOM 1654 CB LYS A 215 22.313 11.732 26.041 1.00 17.11 C -ATOM 1655 CG LYS A 215 21.152 12.712 25.922 1.00 21.15 C -ATOM 1656 CD LYS A 215 21.419 13.873 26.884 1.00 24.36 C -ATOM 1657 CE LYS A 215 20.342 14.945 26.776 1.00 25.69 C -ATOM 1658 NZ LYS A 215 20.393 15.919 27.895 1.00 24.81 N -ATOM 1659 N LEU A 216 23.917 9.010 25.951 1.00 13.22 N -ATOM 1660 CA LEU A 216 25.286 8.532 25.929 1.00 13.54 C -ATOM 1661 C LEU A 216 25.525 7.042 25.793 1.00 13.31 C -ATOM 1662 O LEU A 216 26.701 6.678 25.621 1.00 14.00 O -ATOM 1663 CB LEU A 216 25.985 9.024 27.217 1.00 16.33 C -ATOM 1664 CG LEU A 216 26.055 10.549 27.410 1.00 15.90 C -ATOM 1665 CD1 LEU A 216 26.535 10.887 28.818 1.00 16.93 C -ATOM 1666 CD2 LEU A 216 26.964 11.212 26.374 1.00 15.66 C -ATOM 1667 N CYS A 217 24.521 6.182 25.934 1.00 11.81 N -ATOM 1668 CA CYS A 217 24.814 4.747 25.806 1.00 12.50 C -ATOM 1669 C CYS A 217 24.966 4.357 24.327 1.00 12.43 C -ATOM 1670 O CYS A 217 24.539 5.055 23.403 1.00 13.08 O -ATOM 1671 CB CYS A 217 23.698 3.932 26.458 1.00 13.60 C -ATOM 1672 SG CYS A 217 23.719 3.990 28.258 1.00 13.69 S -ATOM 1673 N TYR A 218 25.646 3.222 24.142 1.00 12.31 N -ATOM 1674 CA TYR A 218 25.813 2.671 22.789 1.00 11.39 C -ATOM 1675 C TYR A 218 26.068 1.163 22.944 1.00 12.04 C -ATOM 1676 O TYR A 218 26.383 0.678 24.015 1.00 12.94 O -ATOM 1677 CB TYR A 218 27.016 3.285 22.079 1.00 12.72 C -ATOM 1678 CG TYR A 218 28.384 3.001 22.623 1.00 12.48 C -ATOM 1679 CD1 TYR A 218 29.186 2.002 22.104 1.00 12.72 C -ATOM 1680 CD2 TYR A 218 28.948 3.805 23.624 1.00 12.53 C -ATOM 1681 CE1 TYR A 218 30.470 1.741 22.576 1.00 12.50 C -ATOM 1682 CE2 TYR A 218 30.207 3.554 24.129 1.00 12.63 C -ATOM 1683 CZ TYR A 218 30.967 2.551 23.589 1.00 13.95 C -ATOM 1684 OH TYR A 218 32.248 2.376 24.090 1.00 15.05 O -ATOM 1685 N VAL A 219 25.886 0.455 21.836 1.00 10.37 N -ATOM 1686 CA VAL A 219 26.150 -0.991 21.790 1.00 12.18 C -ATOM 1687 C VAL A 219 27.536 -1.231 21.185 1.00 10.45 C -ATOM 1688 O VAL A 219 27.857 -0.797 20.073 1.00 12.15 O -ATOM 1689 CB VAL A 219 25.065 -1.718 20.989 1.00 11.29 C -ATOM 1690 CG1 VAL A 219 25.391 -3.200 20.760 1.00 12.72 C -ATOM 1691 CG2 VAL A 219 23.733 -1.640 21.767 1.00 12.99 C -ATOM 1692 N ALA A 220 28.315 -1.937 22.019 1.00 10.82 N -ATOM 1693 CA ALA A 220 29.691 -2.274 21.615 1.00 12.28 C -ATOM 1694 C ALA A 220 29.633 -3.400 20.591 1.00 11.79 C -ATOM 1695 O ALA A 220 28.752 -4.264 20.554 1.00 12.29 O -ATOM 1696 CB ALA A 220 30.503 -2.770 22.808 1.00 13.13 C -ATOM 1697 N LEU A 221 30.624 -3.440 19.702 1.00 12.39 N -ATOM 1698 CA LEU A 221 30.651 -4.525 18.713 1.00 13.27 C -ATOM 1699 C LEU A 221 31.009 -5.852 19.361 1.00 15.16 C -ATOM 1700 O LEU A 221 30.519 -6.928 19.045 1.00 15.11 O -ATOM 1701 CB LEU A 221 31.684 -4.117 17.643 1.00 16.54 C -ATOM 1702 CG LEU A 221 31.680 -4.996 16.404 1.00 19.62 C -ATOM 1703 CD1 LEU A 221 30.317 -4.936 15.725 1.00 18.76 C -ATOM 1704 CD2 LEU A 221 32.800 -4.494 15.495 1.00 20.38 C -ATOM 1705 N ASP A 222 31.805 -5.736 20.436 1.00 16.07 N -ATOM 1706 CA ASP A 222 32.130 -6.902 21.261 1.00 17.97 C -ATOM 1707 C ASP A 222 32.340 -6.458 22.692 1.00 16.70 C -ATOM 1708 O ASP A 222 33.246 -5.628 22.924 1.00 15.50 O -ATOM 1709 CB ASP A 222 33.374 -7.506 20.610 1.00 21.54 C -ATOM 1710 CG ASP A 222 33.742 -8.745 21.348 1.00 23.89 C -ATOM 1711 OD1 ASP A 222 33.322 -9.832 20.876 1.00 25.16 O -ATOM 1712 OD2 ASP A 222 34.350 -8.647 22.445 1.00 24.33 O -ATOM 1713 N PHE A 223 31.546 -6.930 23.659 1.00 15.62 N -ATOM 1714 CA PHE A 223 31.632 -6.449 25.019 1.00 15.34 C -ATOM 1715 C PHE A 223 32.988 -6.603 25.690 1.00 15.29 C -ATOM 1716 O PHE A 223 33.511 -5.665 26.297 1.00 14.88 O -ATOM 1717 CB PHE A 223 30.539 -7.105 25.915 1.00 15.57 C -ATOM 1718 CG PHE A 223 30.530 -6.641 27.342 1.00 17.78 C -ATOM 1719 CD1 PHE A 223 29.973 -5.442 27.748 1.00 17.34 C -ATOM 1720 CD2 PHE A 223 31.111 -7.430 28.320 1.00 18.86 C -ATOM 1721 CE1 PHE A 223 29.973 -5.066 29.081 1.00 17.54 C -ATOM 1722 CE2 PHE A 223 31.137 -7.048 29.635 1.00 18.90 C -ATOM 1723 CZ PHE A 223 30.563 -5.854 30.055 1.00 17.14 C -ATOM 1724 N GLU A 224 33.607 -7.766 25.486 1.00 15.45 N -ATOM 1725 CA GLU A 224 34.856 -8.019 26.211 1.00 15.40 C -ATOM 1726 C GLU A 224 35.995 -7.223 25.590 1.00 12.76 C -ATOM 1727 O GLU A 224 36.744 -6.645 26.357 1.00 15.15 O -ATOM 1728 CB GLU A 224 35.209 -9.498 26.286 1.00 18.88 C -ATOM 1729 CG GLU A 224 34.187 -10.306 27.071 1.00 22.98 C -ATOM 1730 CD GLU A 224 32.802 -10.457 26.515 1.00 26.49 C -ATOM 1731 OE1 GLU A 224 32.484 -10.136 25.348 1.00 29.03 O -ATOM 1732 OE2 GLU A 224 31.825 -10.875 27.186 1.00 29.92 O -ATOM 1733 N ASN A 225 35.983 -7.089 24.262 1.00 12.57 N -ATOM 1734 CA ASN A 225 37.040 -6.269 23.684 1.00 12.41 C -ATOM 1735 C ASN A 225 36.856 -4.792 23.983 1.00 11.34 C -ATOM 1736 O ASN A 225 37.829 -4.034 24.150 1.00 14.12 O -ATOM 1737 CB ASN A 225 37.191 -6.504 22.181 1.00 14.89 C -ATOM 1738 CG ASN A 225 37.919 -7.828 21.923 1.00 15.88 C -ATOM 1739 OD1 ASN A 225 37.797 -8.839 22.632 1.00 18.61 O -ATOM 1740 ND2 ASN A 225 38.727 -7.800 20.871 1.00 17.46 N -ATOM 1741 N GLU A 226 35.598 -4.317 24.091 1.00 11.44 N -ATOM 1742 CA GLU A 226 35.359 -2.921 24.445 1.00 12.66 C -ATOM 1743 C GLU A 226 35.825 -2.633 25.871 1.00 13.39 C -ATOM 1744 O GLU A 226 36.347 -1.558 26.131 1.00 15.71 O -ATOM 1745 CB GLU A 226 33.840 -2.616 24.348 1.00 13.52 C -ATOM 1746 CG GLU A 226 33.613 -1.109 24.182 1.00 16.16 C -ATOM 1747 CD GLU A 226 33.848 -0.570 22.811 1.00 18.38 C -ATOM 1748 OE1 GLU A 226 34.241 -1.311 21.883 1.00 19.67 O -ATOM 1749 OE2 GLU A 226 33.628 0.648 22.569 1.00 17.01 O -ATOM 1750 N MET A 227 35.569 -3.575 26.764 1.00 14.25 N -ATOM 1751 CA MET A 227 36.084 -3.421 28.135 1.00 15.93 C -ATOM 1752 C MET A 227 37.608 -3.335 28.162 1.00 16.77 C -ATOM 1753 O MET A 227 38.191 -2.510 28.880 1.00 16.55 O -ATOM 1754 CB MET A 227 35.640 -4.612 29.000 1.00 18.62 C -ATOM 1755 CG MET A 227 34.167 -4.913 29.137 1.00 21.01 C -ATOM 1756 SD MET A 227 33.104 -3.823 30.076 1.00 29.79 S -ATOM 1757 CE MET A 227 34.277 -2.871 30.830 1.00 7.84 C -ATOM 1758 N ALA A 228 38.252 -4.116 27.298 1.00 15.46 N -ATOM 1759 CA ALA A 228 39.714 -4.130 27.256 1.00 16.45 C -ATOM 1760 C ALA A 228 40.259 -2.822 26.720 1.00 19.02 C -ATOM 1761 O ALA A 228 41.368 -2.449 27.088 1.00 18.67 O -ATOM 1762 CB ALA A 228 40.259 -5.307 26.455 1.00 15.88 C -ATOM 1763 N THR A 229 39.527 -2.161 25.829 1.00 20.57 N -ATOM 1764 CA THR A 229 39.972 -0.899 25.247 1.00 24.59 C -ATOM 1765 C THR A 229 39.715 0.256 26.203 1.00 25.92 C -ATOM 1766 O THR A 229 40.342 1.317 26.096 1.00 26.75 O -ATOM 1767 CB THR A 229 39.228 -0.653 23.922 1.00 25.45 C -ATOM 1768 OG1 THR A 229 39.483 -1.714 22.986 1.00 27.01 O -ATOM 1769 CG2 THR A 229 39.667 0.625 23.202 1.00 27.78 C -ATOM 1770 N ALA A 230 38.782 0.093 27.137 1.00 25.65 N -ATOM 1771 CA ALA A 230 38.407 1.160 28.060 1.00 27.94 C -ATOM 1772 C ALA A 230 39.558 1.818 28.788 1.00 29.86 C -ATOM 1773 O ALA A 230 39.616 3.058 28.772 1.00 30.51 O -ATOM 1774 CB ALA A 230 37.337 0.645 29.019 1.00 26.18 C -ATOM 1775 N ALA A 231 40.555 1.112 29.307 1.00 32.02 N -ATOM 1776 CA ALA A 231 41.617 1.742 30.091 1.00 33.76 C -ATOM 1777 C ALA A 231 42.376 2.836 29.353 1.00 34.16 C -ATOM 1778 O ALA A 231 42.636 3.899 29.931 1.00 35.58 O -ATOM 1779 CB ALA A 231 42.584 0.698 30.633 1.00 33.97 C -ATOM 1780 N SER A 232 42.746 2.609 28.105 1.00 34.20 N -ATOM 1781 CA SER A 232 43.490 3.574 27.323 1.00 33.82 C -ATOM 1782 C SER A 232 42.671 4.398 26.348 1.00 32.05 C -ATOM 1783 O SER A 232 43.239 5.260 25.668 1.00 31.76 O -ATOM 1784 CB SER A 232 44.571 2.808 26.533 1.00 35.46 C -ATOM 1785 OG SER A 232 43.989 1.620 26.021 1.00 37.93 O -ATOM 1786 N SER A 233 41.354 4.219 26.268 1.00 29.45 N -ATOM 1787 CA SER A 233 40.550 4.982 25.320 1.00 27.05 C -ATOM 1788 C SER A 233 40.544 6.477 25.578 1.00 27.38 C -ATOM 1789 O SER A 233 40.231 6.882 26.711 1.00 28.51 O -ATOM 1790 CB SER A 233 39.090 4.490 25.389 1.00 25.47 C -ATOM 1791 OG SER A 233 38.272 5.233 24.484 1.00 23.56 O -ATOM 1792 N SER A 234 40.710 7.316 24.540 1.00 27.92 N -ATOM 1793 CA SER A 234 40.576 8.756 24.875 1.00 29.30 C -ATOM 1794 C SER A 234 39.151 9.215 24.613 1.00 28.80 C -ATOM 1795 O SER A 234 38.851 10.366 24.947 1.00 29.35 O -ATOM 1796 CB SER A 234 41.664 9.599 24.236 1.00 31.65 C -ATOM 1797 OG SER A 234 42.425 8.894 23.302 1.00 32.87 O -ATOM 1798 N SER A 235 38.243 8.379 24.113 1.00 27.49 N -ATOM 1799 CA SER A 235 36.896 8.884 23.838 1.00 28.90 C -ATOM 1800 C SER A 235 35.788 8.196 24.626 1.00 27.54 C -ATOM 1801 O SER A 235 34.646 8.644 24.511 1.00 28.40 O -ATOM 1802 CB SER A 235 36.603 8.715 22.343 1.00 29.74 C -ATOM 1803 OG SER A 235 36.692 7.329 22.028 1.00 32.29 O -ATOM 1804 N LEU A 236 36.116 7.144 25.366 1.00 24.75 N -ATOM 1805 CA LEU A 236 35.041 6.453 26.086 1.00 22.61 C -ATOM 1806 C LEU A 236 34.406 7.367 27.137 1.00 23.51 C -ATOM 1807 O LEU A 236 33.183 7.553 27.144 1.00 21.71 O -ATOM 1808 CB LEU A 236 35.527 5.134 26.679 1.00 21.89 C -ATOM 1809 CG LEU A 236 34.525 4.369 27.565 1.00 22.60 C -ATOM 1810 CD1 LEU A 236 33.336 3.902 26.747 1.00 22.93 C -ATOM 1811 CD2 LEU A 236 35.225 3.215 28.261 1.00 23.16 C -ATOM 1812 N GLU A 237 35.215 7.920 28.037 1.00 22.84 N -ATOM 1813 CA GLU A 237 34.634 8.733 29.109 1.00 24.34 C -ATOM 1814 C GLU A 237 33.887 9.966 28.649 1.00 23.90 C -ATOM 1815 O GLU A 237 34.387 10.761 27.852 1.00 24.64 O -ATOM 1816 CB GLU A 237 35.690 9.216 30.109 1.00 28.03 C -ATOM 1817 CG GLU A 237 36.462 8.078 30.756 1.00 32.83 C -ATOM 1818 CD GLU A 237 36.844 8.357 32.193 1.00 35.03 C -ATOM 1819 OE1 GLU A 237 37.190 9.515 32.524 1.00 37.35 O -ATOM 1820 OE2 GLU A 237 36.772 7.413 33.011 1.00 36.86 O -ATOM 1821 N LYS A 238 32.659 10.137 29.145 1.00 21.86 N -ATOM 1822 CA LYS A 238 31.863 11.304 28.827 1.00 21.68 C -ATOM 1823 C LYS A 238 31.451 11.938 30.163 1.00 22.40 C -ATOM 1824 O LYS A 238 31.217 11.212 31.123 1.00 23.17 O -ATOM 1825 CB LYS A 238 30.576 11.040 28.046 1.00 22.79 C -ATOM 1826 CG LYS A 238 30.773 10.393 26.695 1.00 24.21 C -ATOM 1827 CD LYS A 238 31.275 11.434 25.692 1.00 25.88 C -ATOM 1828 CE LYS A 238 31.584 10.715 24.377 1.00 26.71 C -ATOM 1829 NZ LYS A 238 32.259 11.642 23.430 1.00 29.60 N -ATOM 1830 N SER A 239 31.364 13.239 30.174 1.00 21.36 N -ATOM 1831 CA SER A 239 30.892 13.971 31.355 1.00 21.16 C -ATOM 1832 C SER A 239 29.415 14.256 31.168 1.00 19.95 C -ATOM 1833 O SER A 239 28.934 14.476 30.054 1.00 22.90 O -ATOM 1834 CB SER A 239 31.655 15.299 31.462 1.00 23.35 C -ATOM 1835 OG SER A 239 32.982 15.053 31.915 1.00 27.27 O -ATOM 1836 N TYR A 240 28.648 14.306 32.256 1.00 16.60 N -ATOM 1837 CA TYR A 240 27.232 14.637 32.200 1.00 16.48 C -ATOM 1838 C TYR A 240 26.863 15.495 33.424 1.00 15.73 C -ATOM 1839 O TYR A 240 27.082 15.093 34.563 1.00 17.10 O -ATOM 1840 CB TYR A 240 26.378 13.369 32.131 1.00 16.74 C -ATOM 1841 CG TYR A 240 24.880 13.572 32.069 1.00 17.23 C -ATOM 1842 CD1 TYR A 240 24.159 13.510 30.873 1.00 16.88 C -ATOM 1843 CD2 TYR A 240 24.164 13.813 33.243 1.00 17.91 C -ATOM 1844 CE1 TYR A 240 22.800 13.730 30.840 1.00 18.39 C -ATOM 1845 CE2 TYR A 240 22.806 14.035 33.213 1.00 17.61 C -ATOM 1846 CZ TYR A 240 22.112 13.973 32.017 1.00 17.99 C -ATOM 1847 OH TYR A 240 20.748 14.178 31.985 1.00 18.78 O -ATOM 1848 N GLU A 241 26.305 16.663 33.127 1.00 15.59 N -ATOM 1849 CA GLU A 241 25.924 17.588 34.207 1.00 15.64 C -ATOM 1850 C GLU A 241 24.550 17.262 34.750 1.00 15.66 C -ATOM 1851 O GLU A 241 23.559 17.162 34.020 1.00 17.21 O -ATOM 1852 CB GLU A 241 25.972 19.022 33.661 1.00 17.53 C -ATOM 1853 CG GLU A 241 25.724 20.062 34.759 1.00 21.52 C -ATOM 1854 CD GLU A 241 25.729 21.478 34.206 1.00 25.87 C -ATOM 1855 OE1 GLU A 241 26.228 21.678 33.087 1.00 29.72 O -ATOM 1856 OE2 GLU A 241 25.257 22.380 34.905 1.00 28.38 O -ATOM 1857 N LEU A 242 24.450 17.049 36.079 1.00 14.93 N -ATOM 1858 CA LEU A 242 23.199 16.805 36.736 1.00 15.28 C -ATOM 1859 C LEU A 242 22.450 18.097 37.011 1.00 16.42 C -ATOM 1860 O LEU A 242 23.008 19.213 37.023 1.00 15.46 O -ATOM 1861 CB LEU A 242 23.493 16.115 38.103 1.00 15.52 C -ATOM 1862 CG LEU A 242 24.335 14.842 38.060 1.00 17.09 C -ATOM 1863 CD1 LEU A 242 24.461 14.206 39.445 1.00 16.91 C -ATOM 1864 CD2 LEU A 242 23.659 13.811 37.144 1.00 18.95 C -ATOM 1865 N PRO A 243 21.169 17.995 37.401 1.00 17.86 N -ATOM 1866 CA PRO A 243 20.361 19.152 37.723 1.00 17.90 C -ATOM 1867 C PRO A 243 20.898 19.975 38.882 1.00 19.55 C -ATOM 1868 O PRO A 243 20.714 21.205 38.822 1.00 20.56 O -ATOM 1869 CB PRO A 243 18.968 18.585 38.025 1.00 17.71 C -ATOM 1870 CG PRO A 243 18.941 17.313 37.223 1.00 17.57 C -ATOM 1871 CD PRO A 243 20.351 16.752 37.395 1.00 17.50 C -ATOM 1872 N ASP A 244 21.692 19.399 39.807 1.00 17.66 N -ATOM 1873 CA ASP A 244 22.237 20.210 40.907 1.00 18.28 C -ATOM 1874 C ASP A 244 23.554 20.876 40.538 1.00 18.51 C -ATOM 1875 O ASP A 244 24.186 21.512 41.407 1.00 21.01 O -ATOM 1876 CB ASP A 244 22.406 19.350 42.178 1.00 18.47 C -ATOM 1877 CG ASP A 244 23.348 18.176 41.995 1.00 21.26 C -ATOM 1878 OD1 ASP A 244 23.402 17.300 42.897 1.00 22.89 O -ATOM 1879 OD2 ASP A 244 24.023 18.056 40.953 1.00 20.16 O -ATOM 1880 N GLY A 245 24.019 20.747 39.291 1.00 16.27 N -ATOM 1881 CA GLY A 245 25.272 21.357 38.874 1.00 15.86 C -ATOM 1882 C GLY A 245 26.490 20.454 39.071 1.00 15.43 C -ATOM 1883 O GLY A 245 27.587 20.847 38.665 1.00 14.78 O -ATOM 1884 N GLN A 246 26.332 19.294 39.716 1.00 15.27 N -ATOM 1885 CA GLN A 246 27.463 18.382 39.835 1.00 16.13 C -ATOM 1886 C GLN A 246 27.687 17.758 38.448 1.00 16.61 C -ATOM 1887 O GLN A 246 26.757 17.820 37.631 1.00 16.41 O -ATOM 1888 CB GLN A 246 27.187 17.317 40.905 1.00 18.48 C -ATOM 1889 CG GLN A 246 26.985 17.970 42.283 1.00 21.30 C -ATOM 1890 CD GLN A 246 26.941 16.963 43.419 1.00 23.51 C -ATOM 1891 OE1 GLN A 246 27.940 16.766 44.128 1.00 24.94 O -ATOM 1892 NE2 GLN A 246 25.799 16.331 43.669 1.00 21.79 N -ATOM 1893 N VAL A 247 28.867 17.259 38.163 1.00 17.47 N -ATOM 1894 CA VAL A 247 29.144 16.640 36.864 1.00 19.62 C -ATOM 1895 C VAL A 247 29.626 15.214 37.129 1.00 21.29 C -ATOM 1896 O VAL A 247 30.597 15.033 37.868 1.00 25.23 O -ATOM 1897 CB VAL A 247 30.186 17.433 36.055 1.00 19.43 C -ATOM 1898 CG1 VAL A 247 30.504 16.677 34.763 1.00 19.61 C -ATOM 1899 CG2 VAL A 247 29.660 18.811 35.664 1.00 19.77 C -ATOM 1900 N ILE A 248 28.968 14.209 36.555 1.00 21.29 N -ATOM 1901 CA ILE A 248 29.433 12.834 36.758 1.00 20.00 C -ATOM 1902 C ILE A 248 30.220 12.385 35.516 1.00 20.02 C -ATOM 1903 O ILE A 248 30.096 13.003 34.483 1.00 19.60 O -ATOM 1904 CB ILE A 248 28.283 11.860 37.004 1.00 21.95 C -ATOM 1905 CG1 ILE A 248 27.263 11.890 35.854 1.00 23.66 C -ATOM 1906 CG2 ILE A 248 27.554 12.179 38.305 1.00 22.92 C -ATOM 1907 CD1 ILE A 248 26.285 10.720 35.939 1.00 26.32 C -ATOM 1908 N THR A 249 31.012 11.333 35.673 1.00 19.15 N -ATOM 1909 CA THR A 249 31.721 10.786 34.508 1.00 20.96 C -ATOM 1910 C THR A 249 31.161 9.389 34.258 1.00 22.26 C -ATOM 1911 O THR A 249 30.816 8.678 35.208 1.00 21.97 O -ATOM 1912 CB THR A 249 33.232 10.785 34.750 1.00 23.91 C -ATOM 1913 OG1 THR A 249 33.670 12.144 34.470 1.00 25.75 O -ATOM 1914 CG2 THR A 249 34.007 9.840 33.850 1.00 26.26 C -ATOM 1915 N ILE A 250 30.847 9.129 32.987 1.00 22.34 N -ATOM 1916 CA ILE A 250 30.309 7.843 32.582 1.00 23.70 C -ATOM 1917 C ILE A 250 31.270 7.197 31.584 1.00 22.71 C -ATOM 1918 O ILE A 250 31.668 7.845 30.624 1.00 22.58 O -ATOM 1919 CB ILE A 250 28.915 7.957 31.951 1.00 24.72 C -ATOM 1920 CG1 ILE A 250 28.352 6.528 31.737 1.00 26.07 C -ATOM 1921 CG2 ILE A 250 28.868 8.743 30.651 1.00 26.96 C -ATOM 1922 CD1 ILE A 250 26.875 6.594 31.436 1.00 27.39 C -ATOM 1923 N GLY A 251 31.626 5.953 31.848 1.00 20.48 N -ATOM 1924 CA GLY A 251 32.586 5.269 30.991 1.00 17.75 C -ATOM 1925 C GLY A 251 32.058 3.953 30.450 1.00 16.13 C -ATOM 1926 O GLY A 251 31.222 4.035 29.562 1.00 16.15 O -ATOM 1927 N ASN A 252 32.483 2.827 31.003 1.00 15.89 N -ATOM 1928 CA ASN A 252 32.008 1.540 30.492 1.00 15.96 C -ATOM 1929 C ASN A 252 30.516 1.348 30.732 1.00 15.82 C -ATOM 1930 O ASN A 252 29.927 0.486 30.057 1.00 14.39 O -ATOM 1931 CB ASN A 252 32.822 0.364 31.029 1.00 17.19 C -ATOM 1932 CG ASN A 252 32.664 0.162 32.521 1.00 20.46 C -ATOM 1933 OD1 ASN A 252 31.544 0.158 33.028 1.00 21.91 O -ATOM 1934 ND2 ASN A 252 33.772 -0.030 33.207 1.00 22.23 N -ATOM 1935 N GLU A 253 29.877 2.126 31.603 1.00 15.21 N -ATOM 1936 CA GLU A 253 28.432 2.019 31.770 1.00 15.54 C -ATOM 1937 C GLU A 253 27.720 2.371 30.472 1.00 13.37 C -ATOM 1938 O GLU A 253 26.613 1.900 30.212 1.00 13.63 O -ATOM 1939 CB GLU A 253 27.942 2.973 32.857 1.00 16.82 C -ATOM 1940 CG GLU A 253 28.551 2.751 34.217 1.00 19.40 C -ATOM 1941 CD GLU A 253 29.837 3.491 34.467 1.00 22.12 C -ATOM 1942 OE1 GLU A 253 30.487 4.026 33.553 1.00 21.02 O -ATOM 1943 OE2 GLU A 253 30.238 3.574 35.659 1.00 22.08 O -ATOM 1944 N ARG A 254 28.305 3.141 29.570 1.00 13.19 N -ATOM 1945 CA ARG A 254 27.746 3.520 28.286 1.00 11.31 C -ATOM 1946 C ARG A 254 27.402 2.285 27.458 1.00 11.82 C -ATOM 1947 O ARG A 254 26.340 2.275 26.815 1.00 11.66 O -ATOM 1948 CB ARG A 254 28.775 4.360 27.514 1.00 11.65 C -ATOM 1949 CG ARG A 254 28.946 5.773 28.102 1.00 13.95 C -ATOM 1950 CD ARG A 254 29.937 6.555 27.234 1.00 14.17 C -ATOM 1951 NE ARG A 254 29.396 6.839 25.939 1.00 15.10 N -ATOM 1952 CZ ARG A 254 30.162 7.161 24.871 1.00 15.50 C -ATOM 1953 NH1 ARG A 254 31.480 7.283 24.986 1.00 17.47 N -ATOM 1954 NH2 ARG A 254 29.616 7.431 23.711 1.00 17.72 N -ATOM 1955 N PHE A 255 28.279 1.282 27.494 1.00 11.27 N -ATOM 1956 CA PHE A 255 27.927 0.069 26.708 1.00 9.81 C -ATOM 1957 C PHE A 255 27.514 -1.139 27.525 1.00 9.28 C -ATOM 1958 O PHE A 255 26.849 -2.050 27.004 1.00 10.81 O -ATOM 1959 CB PHE A 255 29.081 -0.274 25.742 1.00 10.00 C -ATOM 1960 CG PHE A 255 30.387 -0.596 26.414 1.00 9.67 C -ATOM 1961 CD1 PHE A 255 30.697 -1.889 26.793 1.00 11.39 C -ATOM 1962 CD2 PHE A 255 31.308 0.450 26.611 1.00 10.04 C -ATOM 1963 CE1 PHE A 255 31.912 -2.130 27.418 1.00 13.15 C -ATOM 1964 CE2 PHE A 255 32.517 0.164 27.215 1.00 13.01 C -ATOM 1965 CZ PHE A 255 32.821 -1.110 27.626 1.00 12.62 C -ATOM 1966 N ARG A 256 27.836 -1.153 28.835 1.00 11.18 N -ATOM 1967 CA ARG A 256 27.365 -2.225 29.690 1.00 12.35 C -ATOM 1968 C ARG A 256 25.836 -2.240 29.798 1.00 11.33 C -ATOM 1969 O ARG A 256 25.256 -3.314 29.780 1.00 11.20 O -ATOM 1970 CB ARG A 256 27.982 -2.050 31.085 1.00 12.60 C -ATOM 1971 CG ARG A 256 27.600 -3.163 32.046 1.00 14.04 C -ATOM 1972 CD ARG A 256 28.314 -2.962 33.391 1.00 15.17 C -ATOM 1973 NE ARG A 256 27.641 -3.735 34.438 1.00 15.47 N -ATOM 1974 CZ ARG A 256 27.891 -3.522 35.731 1.00 16.71 C -ATOM 1975 NH1 ARG A 256 28.765 -2.588 36.113 1.00 17.73 N -ATOM 1976 NH2 ARG A 256 27.239 -4.228 36.661 1.00 16.48 N -ATOM 1977 N CYS A 257 25.245 -1.023 29.887 1.00 11.95 N -ATOM 1978 CA CYS A 257 23.763 -0.996 29.980 1.00 13.21 C -ATOM 1979 C CYS A 257 23.041 -1.666 28.828 1.00 12.42 C -ATOM 1980 O CYS A 257 22.340 -2.662 29.066 1.00 12.52 O -ATOM 1981 CB CYS A 257 23.390 0.469 30.176 1.00 14.28 C -ATOM 1982 SG CYS A 257 21.620 0.807 29.977 1.00 12.15 S -ATOM 1983 N PRO A 258 23.234 -1.296 27.555 1.00 11.70 N -ATOM 1984 CA PRO A 258 22.527 -1.953 26.466 1.00 11.48 C -ATOM 1985 C PRO A 258 23.045 -3.342 26.109 1.00 11.35 C -ATOM 1986 O PRO A 258 22.358 -4.111 25.446 1.00 11.57 O -ATOM 1987 CB PRO A 258 22.603 -0.987 25.292 1.00 12.55 C -ATOM 1988 CG PRO A 258 23.760 -0.102 25.614 1.00 14.13 C -ATOM 1989 CD PRO A 258 23.897 -0.060 27.137 1.00 12.61 C -ATOM 1990 N GLU A 259 24.220 -3.723 26.650 1.00 9.82 N -ATOM 1991 CA GLU A 259 24.709 -5.099 26.437 1.00 11.17 C -ATOM 1992 C GLU A 259 23.686 -6.103 26.954 1.00 11.03 C -ATOM 1993 O GLU A 259 23.555 -7.232 26.451 1.00 11.36 O -ATOM 1994 CB GLU A 259 26.082 -5.305 27.071 1.00 11.37 C -ATOM 1995 CG GLU A 259 26.675 -6.691 26.842 1.00 12.59 C -ATOM 1996 CD GLU A 259 27.058 -6.945 25.407 1.00 12.49 C -ATOM 1997 OE1 GLU A 259 27.164 -5.983 24.621 1.00 12.48 O -ATOM 1998 OE2 GLU A 259 27.240 -8.124 25.021 1.00 14.13 O -ATOM 1999 N THR A 260 22.861 -5.721 27.913 1.00 11.15 N -ATOM 2000 CA THR A 260 21.792 -6.539 28.475 1.00 11.28 C -ATOM 2001 C THR A 260 20.861 -7.066 27.403 1.00 10.88 C -ATOM 2002 O THR A 260 20.344 -8.163 27.583 1.00 10.96 O -ATOM 2003 CB THR A 260 21.004 -5.707 29.504 1.00 12.88 C -ATOM 2004 OG1 THR A 260 21.934 -5.169 30.450 1.00 14.20 O -ATOM 2005 CG2 THR A 260 19.986 -6.555 30.242 1.00 12.85 C -ATOM 2006 N LEU A 261 20.570 -6.350 26.312 1.00 9.61 N -ATOM 2007 CA LEU A 261 19.719 -6.912 25.257 1.00 11.50 C -ATOM 2008 C LEU A 261 20.338 -8.170 24.661 1.00 10.66 C -ATOM 2009 O LEU A 261 19.559 -9.047 24.259 1.00 11.35 O -ATOM 2010 CB LEU A 261 19.562 -5.862 24.136 1.00 11.64 C -ATOM 2011 CG LEU A 261 18.879 -4.565 24.593 1.00 11.41 C -ATOM 2012 CD1 LEU A 261 19.083 -3.468 23.585 1.00 12.80 C -ATOM 2013 CD2 LEU A 261 17.367 -4.808 24.775 1.00 13.00 C -ATOM 2014 N PHE A 262 21.653 -8.236 24.530 1.00 11.09 N -ATOM 2015 CA PHE A 262 22.303 -9.425 24.003 1.00 11.29 C -ATOM 2016 C PHE A 262 22.599 -10.434 25.094 1.00 11.39 C -ATOM 2017 O PHE A 262 22.717 -11.610 24.825 1.00 13.47 O -ATOM 2018 CB PHE A 262 23.579 -9.015 23.238 1.00 13.10 C -ATOM 2019 CG PHE A 262 23.294 -8.059 22.097 1.00 11.29 C -ATOM 2020 CD1 PHE A 262 23.013 -8.632 20.861 1.00 11.44 C -ATOM 2021 CD2 PHE A 262 23.235 -6.684 22.263 1.00 11.16 C -ATOM 2022 CE1 PHE A 262 22.711 -7.775 19.795 1.00 13.03 C -ATOM 2023 CE2 PHE A 262 22.882 -5.859 21.214 1.00 12.32 C -ATOM 2024 CZ PHE A 262 22.667 -6.405 19.961 1.00 13.62 C -ATOM 2025 N GLN A 263 22.743 -9.954 26.341 1.00 12.26 N -ATOM 2026 CA GLN A 263 23.097 -10.832 27.457 1.00 12.56 C -ATOM 2027 C GLN A 263 22.131 -10.564 28.607 1.00 10.94 C -ATOM 2028 O GLN A 263 22.508 -9.867 29.555 1.00 11.48 O -ATOM 2029 CB GLN A 263 24.530 -10.546 27.929 1.00 13.93 C -ATOM 2030 CG GLN A 263 25.583 -10.774 26.854 1.00 14.71 C -ATOM 2031 CD GLN A 263 26.999 -11.010 27.318 1.00 17.55 C -ATOM 2032 OE1 GLN A 263 27.282 -11.920 28.106 1.00 19.45 O -ATOM 2033 NE2 GLN A 263 27.929 -10.161 26.879 1.00 16.67 N -ATOM 2034 N PRO A 264 20.908 -11.085 28.580 1.00 10.89 N -ATOM 2035 CA PRO A 264 19.908 -10.835 29.611 1.00 11.03 C -ATOM 2036 C PRO A 264 20.320 -11.306 31.008 1.00 10.52 C -ATOM 2037 O PRO A 264 19.779 -10.818 32.007 1.00 11.80 O -ATOM 2038 CB PRO A 264 18.638 -11.538 29.122 1.00 11.51 C -ATOM 2039 CG PRO A 264 18.814 -11.522 27.626 1.00 12.79 C -ATOM 2040 CD PRO A 264 20.288 -11.844 27.462 1.00 12.50 C -ATOM 2041 N SER A 265 21.370 -12.143 31.074 1.00 11.93 N -ATOM 2042 CA SER A 265 21.892 -12.559 32.373 1.00 12.55 C -ATOM 2043 C SER A 265 22.484 -11.401 33.144 1.00 13.38 C -ATOM 2044 O SER A 265 22.572 -11.499 34.380 1.00 14.06 O -ATOM 2045 CB SER A 265 23.033 -13.564 32.159 1.00 13.62 C -ATOM 2046 OG ASER A 265 24.036 -12.970 31.355 0.50 14.67 O -ATOM 2047 OG BSER A 265 22.587 -14.845 31.797 0.50 16.70 O -ATOM 2048 N PHE A 266 22.768 -10.252 32.518 1.00 12.13 N -ATOM 2049 CA PHE A 266 23.240 -9.084 33.256 1.00 12.20 C -ATOM 2050 C PHE A 266 22.199 -8.581 34.261 1.00 13.47 C -ATOM 2051 O PHE A 266 22.651 -7.960 35.241 1.00 14.78 O -ATOM 2052 CB PHE A 266 23.577 -7.940 32.309 1.00 11.73 C -ATOM 2053 CG PHE A 266 24.888 -8.005 31.572 1.00 12.43 C -ATOM 2054 CD1 PHE A 266 25.568 -9.206 31.422 1.00 12.35 C -ATOM 2055 CD2 PHE A 266 25.425 -6.853 31.032 1.00 10.87 C -ATOM 2056 CE1 PHE A 266 26.778 -9.241 30.741 1.00 12.56 C -ATOM 2057 CE2 PHE A 266 26.632 -6.891 30.355 1.00 12.32 C -ATOM 2058 CZ PHE A 266 27.324 -8.075 30.204 1.00 13.99 C -ATOM 2059 N ILE A 267 20.915 -8.802 33.992 1.00 13.07 N -ATOM 2060 CA ILE A 267 19.879 -8.381 34.945 1.00 14.37 C -ATOM 2061 C ILE A 267 19.223 -9.609 35.573 1.00 16.28 C -ATOM 2062 O ILE A 267 18.158 -9.498 36.194 1.00 18.11 O -ATOM 2063 CB ILE A 267 18.834 -7.420 34.384 1.00 13.37 C -ATOM 2064 CG1 ILE A 267 18.068 -8.064 33.210 1.00 12.14 C -ATOM 2065 CG2 ILE A 267 19.501 -6.095 34.055 1.00 14.95 C -ATOM 2066 CD1 ILE A 267 16.895 -7.167 32.816 1.00 13.73 C -ATOM 2067 N GLY A 268 19.906 -10.745 35.479 1.00 14.97 N -ATOM 2068 CA GLY A 268 19.364 -11.946 36.123 1.00 16.50 C -ATOM 2069 C GLY A 268 18.213 -12.580 35.387 1.00 18.55 C -ATOM 2070 O GLY A 268 17.325 -13.191 36.010 1.00 20.03 O -ATOM 2071 N MET A 269 18.191 -12.506 34.060 1.00 17.19 N -ATOM 2072 CA MET A 269 17.200 -13.209 33.256 1.00 18.53 C -ATOM 2073 C MET A 269 17.847 -14.364 32.521 1.00 19.43 C -ATOM 2074 O MET A 269 18.972 -14.241 32.028 1.00 19.32 O -ATOM 2075 CB MET A 269 16.528 -12.259 32.272 1.00 19.25 C -ATOM 2076 CG MET A 269 15.577 -11.332 33.002 1.00 19.72 C -ATOM 2077 SD MET A 269 14.695 -10.262 31.887 1.00 21.03 S -ATOM 2078 CE MET A 269 13.852 -11.312 30.750 1.00 19.39 C -ATOM 2079 N GLU A 270 17.157 -15.499 32.407 1.00 20.31 N -ATOM 2080 CA GLU A 270 17.717 -16.675 31.744 1.00 22.25 C -ATOM 2081 C GLU A 270 17.479 -16.726 30.240 1.00 20.95 C -ATOM 2082 O GLU A 270 17.915 -17.599 29.487 1.00 21.58 O -ATOM 2083 CB GLU A 270 17.103 -17.922 32.409 1.00 26.00 C -ATOM 2084 CG GLU A 270 17.664 -18.179 33.796 1.00 30.08 C -ATOM 2085 CD GLU A 270 17.233 -17.237 34.886 1.00 33.36 C -ATOM 2086 OE1 GLU A 270 16.000 -17.089 35.073 1.00 36.08 O -ATOM 2087 OE2 GLU A 270 18.094 -16.635 35.565 1.00 35.12 O -ATOM 2088 N SER A 271 16.771 -15.724 29.740 1.00 19.25 N -ATOM 2089 CA SER A 271 16.378 -15.645 28.352 1.00 18.38 C -ATOM 2090 C SER A 271 17.531 -15.515 27.365 1.00 18.14 C -ATOM 2091 O SER A 271 18.597 -14.983 27.667 1.00 19.12 O -ATOM 2092 CB SER A 271 15.478 -14.409 28.206 1.00 18.71 C -ATOM 2093 OG SER A 271 14.480 -14.408 29.227 1.00 23.27 O -ATOM 2094 N ALA A 272 17.250 -15.942 26.143 1.00 17.83 N -ATOM 2095 CA ALA A 272 18.160 -15.747 25.032 1.00 17.67 C -ATOM 2096 C ALA A 272 18.213 -14.234 24.715 1.00 16.22 C -ATOM 2097 O ALA A 272 17.221 -13.516 24.856 1.00 16.98 O -ATOM 2098 CB ALA A 272 17.596 -16.488 23.833 1.00 20.25 C -ATOM 2099 N GLY A 273 19.350 -13.774 24.217 1.00 16.40 N -ATOM 2100 CA GLY A 273 19.512 -12.368 23.826 1.00 14.17 C -ATOM 2101 C GLY A 273 18.852 -12.139 22.467 1.00 14.30 C -ATOM 2102 O GLY A 273 18.462 -13.052 21.759 1.00 14.18 O -ATOM 2103 N ILE A 274 18.704 -10.866 22.096 1.00 11.51 N -ATOM 2104 CA ILE A 274 17.939 -10.492 20.898 1.00 12.36 C -ATOM 2105 C ILE A 274 18.541 -11.045 19.613 1.00 13.68 C -ATOM 2106 O ILE A 274 17.722 -11.237 18.681 1.00 13.63 O -ATOM 2107 CB ILE A 274 17.727 -8.970 20.789 1.00 12.01 C -ATOM 2108 CG1 ILE A 274 19.022 -8.178 20.715 1.00 11.48 C -ATOM 2109 CG2 ILE A 274 16.879 -8.478 21.973 1.00 12.92 C -ATOM 2110 CD1 ILE A 274 18.833 -6.688 20.393 1.00 11.49 C -ATOM 2111 N HIS A 275 19.824 -11.322 19.536 1.00 12.31 N -ATOM 2112 CA HIS A 275 20.372 -11.917 18.301 1.00 13.53 C -ATOM 2113 C HIS A 275 19.989 -13.397 18.225 1.00 14.79 C -ATOM 2114 O HIS A 275 19.626 -13.886 17.149 1.00 14.70 O -ATOM 2115 CB HIS A 275 21.892 -11.778 18.283 1.00 14.31 C -ATOM 2116 CG HIS A 275 22.549 -12.392 19.475 1.00 14.25 C -ATOM 2117 ND1 HIS A 275 22.241 -12.018 20.762 1.00 15.83 N -ATOM 2118 CD2 HIS A 275 23.491 -13.371 19.563 1.00 15.52 C -ATOM 2119 CE1 HIS A 275 22.959 -12.741 21.607 1.00 15.67 C -ATOM 2120 NE2 HIS A 275 23.750 -13.539 20.900 1.00 15.36 N -ATOM 2121 N GLU A 276 19.950 -14.063 19.379 1.00 14.32 N -ATOM 2122 CA GLU A 276 19.554 -15.476 19.391 1.00 15.65 C -ATOM 2123 C GLU A 276 18.082 -15.644 19.082 1.00 15.62 C -ATOM 2124 O GLU A 276 17.731 -16.560 18.328 1.00 17.81 O -ATOM 2125 CB GLU A 276 19.908 -16.067 20.762 1.00 17.13 C -ATOM 2126 CG GLU A 276 21.396 -16.369 20.895 1.00 23.27 C -ATOM 2127 CD GLU A 276 21.659 -17.486 21.902 1.00 27.60 C -ATOM 2128 OE1 GLU A 276 20.881 -18.452 22.021 1.00 31.96 O -ATOM 2129 OE2 GLU A 276 22.645 -17.317 22.649 1.00 29.77 O -ATOM 2130 N THR A 277 17.221 -14.765 19.571 1.00 14.89 N -ATOM 2131 CA THR A 277 15.781 -14.848 19.298 1.00 14.57 C -ATOM 2132 C THR A 277 15.488 -14.539 17.836 1.00 14.23 C -ATOM 2133 O THR A 277 14.518 -15.069 17.274 1.00 13.14 O -ATOM 2134 CB THR A 277 14.977 -14.013 20.316 1.00 17.59 C -ATOM 2135 OG1 THR A 277 15.330 -12.656 20.250 1.00 19.00 O -ATOM 2136 CG2 THR A 277 15.233 -14.605 21.711 1.00 22.79 C -ATOM 2137 N THR A 278 16.293 -13.659 17.223 1.00 13.00 N -ATOM 2138 CA THR A 278 16.129 -13.360 15.797 1.00 13.05 C -ATOM 2139 C THR A 278 16.367 -14.644 14.978 1.00 14.30 C -ATOM 2140 O THR A 278 15.543 -15.014 14.159 1.00 14.46 O -ATOM 2141 CB THR A 278 17.108 -12.274 15.356 1.00 13.43 C -ATOM 2142 OG1 THR A 278 16.796 -11.093 16.139 1.00 15.29 O -ATOM 2143 CG2 THR A 278 16.946 -11.904 13.882 1.00 14.27 C -ATOM 2144 N TYR A 279 17.516 -15.283 15.258 1.00 14.60 N -ATOM 2145 CA TYR A 279 17.858 -16.529 14.603 1.00 15.02 C -ATOM 2146 C TYR A 279 16.813 -17.597 14.888 1.00 15.13 C -ATOM 2147 O TYR A 279 16.336 -18.204 13.922 1.00 15.32 O -ATOM 2148 CB TYR A 279 19.274 -16.935 15.058 1.00 16.83 C -ATOM 2149 CG TYR A 279 19.658 -18.294 14.499 1.00 18.58 C -ATOM 2150 CD1 TYR A 279 20.045 -18.417 13.185 1.00 20.15 C -ATOM 2151 CD2 TYR A 279 19.625 -19.416 15.318 1.00 20.69 C -ATOM 2152 CE1 TYR A 279 20.399 -19.658 12.678 1.00 20.38 C -ATOM 2153 CE2 TYR A 279 19.965 -20.665 14.821 1.00 20.01 C -ATOM 2154 CZ TYR A 279 20.343 -20.751 13.495 1.00 21.22 C -ATOM 2155 OH TYR A 279 20.693 -21.993 12.974 1.00 22.43 O -ATOM 2156 N ASN A 280 16.417 -17.749 16.142 1.00 14.51 N -ATOM 2157 CA ASN A 280 15.409 -18.765 16.488 1.00 15.84 C -ATOM 2158 C ASN A 280 14.086 -18.520 15.785 1.00 15.36 C -ATOM 2159 O ASN A 280 13.399 -19.468 15.364 1.00 16.23 O -ATOM 2160 CB ASN A 280 15.182 -18.853 18.004 1.00 16.67 C -ATOM 2161 CG ASN A 280 16.392 -19.432 18.726 1.00 18.94 C -ATOM 2162 OD1 ASN A 280 17.259 -20.061 18.126 1.00 19.53 O -ATOM 2163 ND2 ASN A 280 16.424 -19.188 20.026 1.00 21.66 N -ATOM 2164 N SER A 281 13.689 -17.262 15.599 1.00 13.56 N -ATOM 2165 CA SER A 281 12.485 -16.916 14.872 1.00 14.10 C -ATOM 2166 C SER A 281 12.601 -17.261 13.397 1.00 14.03 C -ATOM 2167 O SER A 281 11.689 -17.886 12.846 1.00 14.74 O -ATOM 2168 CB SER A 281 12.219 -15.406 15.057 1.00 15.37 C -ATOM 2169 OG SER A 281 11.044 -15.008 14.354 1.00 16.67 O -ATOM 2170 N ILE A 282 13.712 -16.936 12.760 1.00 13.88 N -ATOM 2171 CA ILE A 282 13.906 -17.273 11.346 1.00 13.96 C -ATOM 2172 C ILE A 282 13.882 -18.781 11.145 1.00 16.10 C -ATOM 2173 O ILE A 282 13.258 -19.214 10.165 1.00 14.67 O -ATOM 2174 CB ILE A 282 15.213 -16.633 10.874 1.00 14.57 C -ATOM 2175 CG1 ILE A 282 15.102 -15.110 10.794 1.00 13.49 C -ATOM 2176 CG2 ILE A 282 15.648 -17.179 9.508 1.00 15.20 C -ATOM 2177 CD1 ILE A 282 16.461 -14.454 10.547 1.00 13.83 C -ATOM 2178 N MET A 283 14.387 -19.559 12.098 1.00 16.35 N -ATOM 2179 CA MET A 283 14.418 -21.010 11.972 1.00 18.52 C -ATOM 2180 C MET A 283 13.089 -21.671 12.229 1.00 19.23 C -ATOM 2181 O MET A 283 12.992 -22.898 12.042 1.00 21.11 O -ATOM 2182 CB MET A 283 15.528 -21.593 12.850 1.00 19.54 C -ATOM 2183 CG MET A 283 16.881 -21.036 12.447 1.00 20.54 C -ATOM 2184 SD MET A 283 17.340 -21.561 10.776 1.00 21.18 S -ATOM 2185 CE MET A 283 17.700 -23.287 11.146 1.00 22.56 C -ATOM 2186 N LYS A 284 12.073 -20.934 12.666 1.00 17.52 N -ATOM 2187 CA LYS A 284 10.738 -21.474 12.842 1.00 18.19 C -ATOM 2188 C LYS A 284 9.929 -21.154 11.577 1.00 18.81 C -ATOM 2189 O LYS A 284 8.744 -21.502 11.508 1.00 19.98 O -ATOM 2190 CB LYS A 284 9.973 -20.901 14.039 1.00 19.43 C -ATOM 2191 CG LYS A 284 10.483 -21.457 15.360 1.00 23.25 C -ATOM 2192 CD LYS A 284 9.621 -20.943 16.498 1.00 27.84 C -ATOM 2193 CE LYS A 284 9.871 -21.722 17.784 1.00 29.69 C -ATOM 2194 NZ LYS A 284 9.543 -23.160 17.680 1.00 31.00 N -ATOM 2195 N CYS A 285 10.553 -20.521 10.589 1.00 17.18 N -ATOM 2196 CA CYS A 285 9.855 -20.201 9.347 1.00 16.70 C -ATOM 2197 C CYS A 285 10.270 -21.195 8.245 1.00 17.06 C -ATOM 2198 O CYS A 285 11.296 -21.841 8.339 1.00 18.39 O -ATOM 2199 CB CYS A 285 10.175 -18.813 8.829 1.00 14.45 C -ATOM 2200 SG CYS A 285 9.610 -17.527 10.008 1.00 13.22 S -ATOM 2201 N ASP A 286 9.444 -21.190 7.205 1.00 19.23 N -ATOM 2202 CA ASP A 286 9.687 -22.080 6.058 1.00 21.15 C -ATOM 2203 C ASP A 286 11.088 -21.824 5.537 1.00 21.33 C -ATOM 2204 O ASP A 286 11.489 -20.673 5.337 1.00 21.30 O -ATOM 2205 CB ASP A 286 8.640 -21.774 4.984 1.00 23.31 C -ATOM 2206 CG ASP A 286 8.568 -22.786 3.869 1.00 26.99 C -ATOM 2207 OD1 ASP A 286 9.643 -23.122 3.345 1.00 24.83 O -ATOM 2208 OD2 ASP A 286 7.435 -23.227 3.541 1.00 29.59 O -ATOM 2209 N ILE A 287 11.862 -22.878 5.290 1.00 21.87 N -ATOM 2210 CA ILE A 287 13.222 -22.735 4.795 1.00 22.28 C -ATOM 2211 C ILE A 287 13.287 -21.839 3.568 1.00 21.81 C -ATOM 2212 O ILE A 287 14.248 -21.084 3.411 1.00 20.89 O -ATOM 2213 CB ILE A 287 13.888 -24.105 4.524 1.00 23.67 C -ATOM 2214 CG1 ILE A 287 15.388 -23.934 4.232 1.00 25.77 C -ATOM 2215 CG2 ILE A 287 13.172 -24.820 3.395 1.00 26.26 C -ATOM 2216 CD1 ILE A 287 16.189 -25.232 4.278 1.00 27.72 C -ATOM 2217 N ASP A 288 12.300 -21.864 2.700 1.00 22.35 N -ATOM 2218 CA ASP A 288 12.254 -21.108 1.472 1.00 23.62 C -ATOM 2219 C ASP A 288 12.035 -19.613 1.650 1.00 21.72 C -ATOM 2220 O ASP A 288 12.181 -18.902 0.649 1.00 22.94 O -ATOM 2221 CB ASP A 288 11.202 -21.649 0.495 1.00 26.66 C -ATOM 2222 CG ASP A 288 11.554 -23.077 0.085 1.00 29.24 C -ATOM 2223 OD1 ASP A 288 12.709 -23.395 -0.239 1.00 30.66 O -ATOM 2224 OD2 ASP A 288 10.632 -23.900 0.122 1.00 32.13 O -ATOM 2225 N ILE A 289 11.666 -19.127 2.842 1.00 19.98 N -ATOM 2226 CA ILE A 289 11.585 -17.673 2.997 1.00 18.49 C -ATOM 2227 C ILE A 289 12.716 -17.161 3.875 1.00 17.17 C -ATOM 2228 O ILE A 289 12.846 -15.931 3.992 1.00 15.48 O -ATOM 2229 CB ILE A 289 10.241 -17.154 3.545 1.00 19.33 C -ATOM 2230 CG1 ILE A 289 10.045 -17.517 5.017 1.00 18.82 C -ATOM 2231 CG2 ILE A 289 9.103 -17.722 2.694 1.00 21.38 C -ATOM 2232 CD1 ILE A 289 8.882 -16.742 5.626 1.00 20.00 C -ATOM 2233 N ARG A 290 13.588 -18.043 4.372 1.00 17.14 N -ATOM 2234 CA ARG A 290 14.620 -17.514 5.287 1.00 17.17 C -ATOM 2235 C ARG A 290 15.567 -16.538 4.660 1.00 17.57 C -ATOM 2236 O ARG A 290 15.977 -15.544 5.279 1.00 16.55 O -ATOM 2237 CB ARG A 290 15.380 -18.657 5.956 1.00 17.55 C -ATOM 2238 CG ARG A 290 14.428 -19.551 6.746 1.00 17.78 C -ATOM 2239 CD ARG A 290 15.154 -20.716 7.397 1.00 18.38 C -ATOM 2240 NE ARG A 290 14.194 -21.636 8.032 1.00 20.64 N -ATOM 2241 CZ ARG A 290 14.551 -22.910 8.268 1.00 21.65 C -ATOM 2242 NH1 ARG A 290 15.765 -23.327 7.930 1.00 21.33 N -ATOM 2243 NH2 ARG A 290 13.659 -23.720 8.833 1.00 23.36 N -ATOM 2244 N LYS A 291 15.978 -16.741 3.399 1.00 17.68 N -ATOM 2245 CA LYS A 291 16.857 -15.803 2.718 1.00 18.50 C -ATOM 2246 C LYS A 291 16.261 -14.405 2.655 1.00 17.91 C -ATOM 2247 O LYS A 291 16.989 -13.432 2.924 1.00 17.02 O -ATOM 2248 CB LYS A 291 17.189 -16.346 1.323 1.00 20.81 C -ATOM 2249 CG LYS A 291 17.971 -15.443 0.409 1.00 27.31 C -ATOM 2250 CD LYS A 291 17.982 -15.923 -1.041 1.00 30.19 C -ATOM 2251 CE LYS A 291 19.214 -15.324 -1.715 1.00 31.87 C -ATOM 2252 NZ LYS A 291 18.864 -14.648 -3.002 1.00 34.19 N -ATOM 2253 N ASP A 292 14.947 -14.291 2.438 1.00 18.10 N -ATOM 2254 CA ASP A 292 14.296 -12.981 2.433 1.00 18.26 C -ATOM 2255 C ASP A 292 14.304 -12.370 3.835 1.00 17.43 C -ATOM 2256 O ASP A 292 14.404 -11.149 3.965 1.00 18.68 O -ATOM 2257 CB ASP A 292 12.867 -13.070 1.916 1.00 21.14 C -ATOM 2258 CG ASP A 292 12.802 -13.510 0.460 1.00 26.12 C -ATOM 2259 OD1 ASP A 292 13.731 -13.150 -0.300 1.00 28.51 O -ATOM 2260 OD2 ASP A 292 11.824 -14.201 0.105 1.00 29.56 O -ATOM 2261 N LEU A 293 14.140 -13.184 4.888 1.00 14.40 N -ATOM 2262 CA LEU A 293 14.183 -12.611 6.237 1.00 14.96 C -ATOM 2263 C LEU A 293 15.577 -12.112 6.603 1.00 14.91 C -ATOM 2264 O LEU A 293 15.745 -11.022 7.174 1.00 13.57 O -ATOM 2265 CB LEU A 293 13.672 -13.632 7.271 1.00 14.39 C -ATOM 2266 CG LEU A 293 12.259 -14.172 7.017 1.00 14.05 C -ATOM 2267 CD1 LEU A 293 11.890 -15.220 8.040 1.00 14.33 C -ATOM 2268 CD2 LEU A 293 11.242 -13.028 6.985 1.00 15.28 C -ATOM 2269 N TYR A 294 16.597 -12.943 6.310 1.00 14.63 N -ATOM 2270 CA TYR A 294 17.965 -12.561 6.632 1.00 13.75 C -ATOM 2271 C TYR A 294 18.424 -11.275 5.955 1.00 14.42 C -ATOM 2272 O TYR A 294 19.184 -10.524 6.579 1.00 14.13 O -ATOM 2273 CB TYR A 294 18.950 -13.665 6.242 1.00 14.99 C -ATOM 2274 CG TYR A 294 19.094 -14.803 7.210 1.00 15.59 C -ATOM 2275 CD1 TYR A 294 19.611 -14.569 8.492 1.00 14.87 C -ATOM 2276 CD2 TYR A 294 18.777 -16.107 6.870 1.00 16.80 C -ATOM 2277 CE1 TYR A 294 19.860 -15.615 9.360 1.00 16.83 C -ATOM 2278 CE2 TYR A 294 18.988 -17.146 7.744 1.00 17.41 C -ATOM 2279 CZ TYR A 294 19.520 -16.896 8.987 1.00 17.19 C -ATOM 2280 OH TYR A 294 19.750 -17.956 9.842 1.00 18.82 O -ATOM 2281 N ALA A 295 17.857 -11.019 4.761 1.00 14.30 N -ATOM 2282 CA ALA A 295 18.280 -9.806 4.065 1.00 14.49 C -ATOM 2283 C ALA A 295 17.395 -8.616 4.401 1.00 12.95 C -ATOM 2284 O ALA A 295 17.550 -7.546 3.787 1.00 15.54 O -ATOM 2285 CB ALA A 295 18.192 -10.071 2.558 1.00 16.39 C -ATOM 2286 N ASN A 296 16.395 -8.795 5.278 1.00 11.94 N -ATOM 2287 CA ASN A 296 15.474 -7.698 5.617 1.00 13.70 C -ATOM 2288 C ASN A 296 15.190 -7.684 7.114 1.00 12.72 C -ATOM 2289 O ASN A 296 14.029 -7.828 7.523 1.00 11.53 O -ATOM 2290 CB ASN A 296 14.155 -7.848 4.833 1.00 13.17 C -ATOM 2291 CG ASN A 296 14.358 -7.593 3.330 1.00 13.99 C -ATOM 2292 OD1 ASN A 296 14.470 -6.462 2.886 1.00 14.88 O -ATOM 2293 ND2 ASN A 296 14.475 -8.695 2.587 1.00 15.37 N -ATOM 2294 N ASN A 297 16.234 -7.575 7.921 1.00 13.42 N -ATOM 2295 CA ASN A 297 16.043 -7.509 9.391 1.00 13.22 C -ATOM 2296 C ASN A 297 15.853 -6.026 9.724 1.00 14.16 C -ATOM 2297 O ASN A 297 16.785 -5.224 9.555 1.00 16.47 O -ATOM 2298 CB ASN A 297 17.280 -7.963 10.111 1.00 15.08 C -ATOM 2299 CG ASN A 297 17.594 -9.421 10.179 1.00 20.53 C -ATOM 2300 OD1 ASN A 297 17.167 -10.090 11.128 1.00 22.44 O -ATOM 2301 ND2 ASN A 297 18.356 -9.889 9.198 1.00 22.46 N -ATOM 2302 N VAL A 298 14.642 -5.642 10.099 1.00 11.22 N -ATOM 2303 CA VAL A 298 14.335 -4.236 10.360 1.00 11.59 C -ATOM 2304 C VAL A 298 14.209 -3.986 11.859 1.00 11.41 C -ATOM 2305 O VAL A 298 13.509 -4.691 12.585 1.00 12.76 O -ATOM 2306 CB VAL A 298 12.983 -3.906 9.674 1.00 12.14 C -ATOM 2307 CG1 VAL A 298 12.588 -2.459 9.929 1.00 13.97 C -ATOM 2308 CG2 VAL A 298 13.084 -4.130 8.163 1.00 13.48 C -ATOM 2309 N MET A 299 14.957 -2.999 12.328 1.00 10.15 N -ATOM 2310 CA MET A 299 14.880 -2.602 13.730 1.00 11.12 C -ATOM 2311 C MET A 299 13.837 -1.520 13.952 1.00 11.57 C -ATOM 2312 O MET A 299 13.775 -0.551 13.195 1.00 13.48 O -ATOM 2313 CB MET A 299 16.218 -2.046 14.217 1.00 12.99 C -ATOM 2314 CG MET A 299 17.408 -2.879 13.755 0.50 13.43 C -ATOM 2315 SD MET A 299 18.763 -2.797 14.915 0.50 16.42 S -ATOM 2316 CE MET A 299 18.030 -3.186 16.486 0.50 17.02 C -ATOM 2317 N SER A 300 13.092 -1.677 15.027 1.00 10.74 N -ATOM 2318 CA SER A 300 12.097 -0.659 15.388 1.00 12.50 C -ATOM 2319 C SER A 300 11.972 -0.506 16.884 1.00 10.62 C -ATOM 2320 O SER A 300 12.249 -1.433 17.656 1.00 11.22 O -ATOM 2321 CB SER A 300 10.722 -1.081 14.850 1.00 14.53 C -ATOM 2322 OG SER A 300 10.299 -2.247 15.471 1.00 17.58 O -ATOM 2323 N GLY A 301 11.534 0.704 17.290 1.00 10.23 N -ATOM 2324 CA GLY A 301 11.277 0.910 18.702 1.00 9.83 C -ATOM 2325 C GLY A 301 12.382 1.740 19.328 1.00 10.19 C -ATOM 2326 O GLY A 301 13.530 1.801 18.896 1.00 11.83 O -ATOM 2327 N GLY A 302 12.026 2.373 20.467 1.00 9.90 N -ATOM 2328 CA GLY A 302 12.971 3.278 21.120 1.00 10.62 C -ATOM 2329 C GLY A 302 14.264 2.635 21.579 1.00 9.94 C -ATOM 2330 O GLY A 302 15.328 3.268 21.592 1.00 11.26 O -ATOM 2331 N THR A 303 14.150 1.371 22.031 1.00 10.70 N -ATOM 2332 CA THR A 303 15.298 0.651 22.583 1.00 11.07 C -ATOM 2333 C THR A 303 16.185 0.133 21.479 1.00 10.77 C -ATOM 2334 O THR A 303 17.279 -0.400 21.772 1.00 12.19 O -ATOM 2335 CB THR A 303 14.815 -0.366 23.625 1.00 10.41 C -ATOM 2336 OG1 THR A 303 14.239 0.430 24.712 1.00 11.74 O -ATOM 2337 CG2 THR A 303 15.885 -1.272 24.188 1.00 12.08 C -ATOM 2338 N THR A 304 15.828 0.343 20.197 1.00 10.47 N -ATOM 2339 CA THR A 304 16.770 0.038 19.133 1.00 10.53 C -ATOM 2340 C THR A 304 17.527 1.273 18.660 1.00 11.20 C -ATOM 2341 O THR A 304 18.296 1.189 17.698 1.00 12.64 O -ATOM 2342 CB THR A 304 16.173 -0.605 17.863 1.00 12.39 C -ATOM 2343 OG1 THR A 304 15.363 0.379 17.182 1.00 13.11 O -ATOM 2344 CG2 THR A 304 15.388 -1.849 18.175 1.00 13.16 C -ATOM 2345 N MET A 305 17.448 2.400 19.367 1.00 11.23 N -ATOM 2346 CA MET A 305 18.062 3.633 18.994 1.00 12.89 C -ATOM 2347 C MET A 305 19.544 3.714 19.304 1.00 15.24 C -ATOM 2348 O MET A 305 20.212 4.574 18.702 1.00 17.49 O -ATOM 2349 CB MET A 305 17.281 4.820 19.602 1.00 14.43 C -ATOM 2350 CG MET A 305 15.920 4.979 18.923 1.00 15.74 C -ATOM 2351 SD MET A 305 16.041 5.599 17.242 1.00 16.51 S -ATOM 2352 CE MET A 305 16.560 7.293 17.591 1.00 20.91 C -ATOM 2353 N TYR A 306 20.104 2.792 20.078 1.00 12.04 N -ATOM 2354 CA TYR A 306 21.528 2.893 20.394 1.00 12.73 C -ATOM 2355 C TYR A 306 22.449 2.873 19.191 1.00 13.07 C -ATOM 2356 O TYR A 306 22.373 1.963 18.380 1.00 13.53 O -ATOM 2357 CB TYR A 306 21.959 1.674 21.283 1.00 11.03 C -ATOM 2358 CG TYR A 306 21.171 1.655 22.602 1.00 10.52 C -ATOM 2359 CD1 TYR A 306 20.052 0.848 22.763 1.00 10.35 C -ATOM 2360 CD2 TYR A 306 21.548 2.521 23.631 1.00 11.29 C -ATOM 2361 CE1 TYR A 306 19.320 0.906 23.943 1.00 9.61 C -ATOM 2362 CE2 TYR A 306 20.812 2.555 24.801 1.00 13.18 C -ATOM 2363 CZ TYR A 306 19.710 1.757 24.946 1.00 12.85 C -ATOM 2364 OH TYR A 306 18.996 1.812 26.140 1.00 12.93 O -ATOM 2365 N PRO A 307 23.380 3.810 19.128 1.00 11.85 N -ATOM 2366 CA PRO A 307 24.462 3.744 18.160 1.00 11.75 C -ATOM 2367 C PRO A 307 25.176 2.388 18.326 1.00 11.18 C -ATOM 2368 O PRO A 307 25.348 1.911 19.456 1.00 12.70 O -ATOM 2369 CB PRO A 307 25.406 4.876 18.512 1.00 13.09 C -ATOM 2370 CG PRO A 307 24.518 5.828 19.250 1.00 14.61 C -ATOM 2371 CD PRO A 307 23.590 4.932 20.062 1.00 13.98 C -ATOM 2372 N GLY A 308 25.509 1.785 17.196 1.00 12.70 N -ATOM 2373 CA GLY A 308 26.217 0.518 17.181 1.00 13.01 C -ATOM 2374 C GLY A 308 25.340 -0.713 17.095 1.00 12.53 C -ATOM 2375 O GLY A 308 25.843 -1.846 16.891 1.00 13.71 O -ATOM 2376 N ILE A 309 24.040 -0.615 17.372 1.00 11.94 N -ATOM 2377 CA ILE A 309 23.176 -1.776 17.404 1.00 12.29 C -ATOM 2378 C ILE A 309 23.091 -2.478 16.055 1.00 13.41 C -ATOM 2379 O ILE A 309 23.075 -3.728 16.115 1.00 13.37 O -ATOM 2380 CB ILE A 309 21.785 -1.483 18.019 1.00 14.43 C -ATOM 2381 CG1 ILE A 309 21.196 -2.795 18.570 1.00 15.37 C -ATOM 2382 CG2 ILE A 309 20.844 -0.787 17.062 1.00 15.69 C -ATOM 2383 CD1 ILE A 309 19.902 -2.649 19.374 1.00 15.28 C -ATOM 2384 N ALA A 310 22.994 -1.765 14.954 1.00 13.71 N -ATOM 2385 CA ALA A 310 22.911 -2.468 13.661 1.00 13.26 C -ATOM 2386 C ALA A 310 24.185 -3.243 13.351 1.00 13.70 C -ATOM 2387 O ALA A 310 24.095 -4.414 12.943 1.00 15.05 O -ATOM 2388 CB ALA A 310 22.611 -1.430 12.581 1.00 15.54 C -ATOM 2389 N ASP A 311 25.349 -2.667 13.637 1.00 15.20 N -ATOM 2390 CA ASP A 311 26.590 -3.373 13.359 1.00 15.94 C -ATOM 2391 C ASP A 311 26.748 -4.598 14.250 1.00 14.35 C -ATOM 2392 O ASP A 311 27.267 -5.639 13.833 1.00 14.09 O -ATOM 2393 CB ASP A 311 27.768 -2.417 13.557 1.00 19.89 C -ATOM 2394 CG ASP A 311 27.938 -1.485 12.371 1.00 24.53 C -ATOM 2395 OD1 ASP A 311 27.334 -1.649 11.297 1.00 28.02 O -ATOM 2396 OD2 ASP A 311 28.694 -0.498 12.494 1.00 29.35 O -ATOM 2397 N ARG A 312 26.317 -4.449 15.523 1.00 13.44 N -ATOM 2398 CA ARG A 312 26.415 -5.627 16.390 1.00 11.98 C -ATOM 2399 C ARG A 312 25.475 -6.731 15.915 1.00 11.95 C -ATOM 2400 O ARG A 312 25.842 -7.904 15.892 1.00 11.95 O -ATOM 2401 CB ARG A 312 26.091 -5.141 17.816 1.00 11.62 C -ATOM 2402 CG ARG A 312 25.980 -6.252 18.840 1.00 12.27 C -ATOM 2403 CD ARG A 312 27.321 -6.951 19.031 1.00 12.48 C -ATOM 2404 NE ARG A 312 27.167 -7.980 20.077 1.00 14.03 N -ATOM 2405 CZ ARG A 312 27.139 -7.673 21.385 1.00 13.80 C -ATOM 2406 NH1 ARG A 312 27.370 -6.429 21.801 1.00 13.63 N -ATOM 2407 NH2 ARG A 312 26.952 -8.654 22.266 1.00 14.60 N -ATOM 2408 N MET A 313 24.235 -6.384 15.569 1.00 13.16 N -ATOM 2409 CA MET A 313 23.274 -7.376 15.054 1.00 13.26 C -ATOM 2410 C MET A 313 23.807 -7.996 13.770 1.00 13.27 C -ATOM 2411 O MET A 313 23.706 -9.229 13.587 1.00 14.36 O -ATOM 2412 CB MET A 313 21.930 -6.692 14.797 1.00 15.05 C -ATOM 2413 CG MET A 313 20.959 -6.498 15.942 1.00 16.80 C -ATOM 2414 SD MET A 313 20.425 -7.939 16.843 1.00 21.02 S -ATOM 2415 CE MET A 313 20.580 -9.310 15.827 1.00 11.32 C -ATOM 2416 N GLN A 314 24.418 -7.245 12.880 1.00 13.48 N -ATOM 2417 CA GLN A 314 25.011 -7.828 11.670 1.00 15.76 C -ATOM 2418 C GLN A 314 26.058 -8.869 12.046 1.00 15.18 C -ATOM 2419 O GLN A 314 26.068 -9.977 11.492 1.00 14.07 O -ATOM 2420 CB GLN A 314 25.566 -6.671 10.828 1.00 16.64 C -ATOM 2421 CG GLN A 314 26.268 -7.214 9.569 1.00 19.51 C -ATOM 2422 CD GLN A 314 25.300 -7.531 8.457 1.00 22.65 C -ATOM 2423 OE1 GLN A 314 24.181 -7.031 8.381 1.00 24.06 O -ATOM 2424 NE2 GLN A 314 25.759 -8.379 7.530 1.00 24.23 N -ATOM 2425 N LYS A 315 26.930 -8.561 13.017 1.00 13.88 N -ATOM 2426 CA LYS A 315 27.979 -9.477 13.441 1.00 14.89 C -ATOM 2427 C LYS A 315 27.417 -10.743 14.062 1.00 14.69 C -ATOM 2428 O LYS A 315 27.824 -11.867 13.762 1.00 15.07 O -ATOM 2429 CB LYS A 315 28.936 -8.762 14.407 1.00 16.76 C -ATOM 2430 CG LYS A 315 29.847 -9.690 15.210 1.00 19.53 C -ATOM 2431 CD LYS A 315 30.563 -8.893 16.319 1.00 23.08 C -ATOM 2432 CE LYS A 315 31.468 -9.814 17.123 1.00 25.69 C -ATOM 2433 NZ LYS A 315 31.502 -9.453 18.574 1.00 29.04 N -ATOM 2434 N GLU A 316 26.456 -10.598 14.968 1.00 14.46 N -ATOM 2435 CA GLU A 316 25.903 -11.760 15.652 1.00 15.01 C -ATOM 2436 C GLU A 316 25.090 -12.667 14.733 1.00 15.28 C -ATOM 2437 O GLU A 316 25.217 -13.880 14.811 1.00 17.15 O -ATOM 2438 CB GLU A 316 24.997 -11.294 16.802 1.00 17.06 C -ATOM 2439 CG GLU A 316 25.739 -10.551 17.897 1.00 18.55 C -ATOM 2440 CD GLU A 316 26.790 -11.343 18.634 1.00 19.95 C -ATOM 2441 OE1 GLU A 316 26.878 -12.585 18.574 1.00 21.16 O -ATOM 2442 OE2 GLU A 316 27.538 -10.702 19.425 1.00 21.58 O -ATOM 2443 N ILE A 317 24.288 -12.046 13.861 1.00 14.81 N -ATOM 2444 CA ILE A 317 23.517 -12.871 12.912 1.00 15.58 C -ATOM 2445 C ILE A 317 24.443 -13.580 11.924 1.00 16.34 C -ATOM 2446 O ILE A 317 24.202 -14.782 11.670 1.00 16.88 O -ATOM 2447 CB ILE A 317 22.409 -12.081 12.220 1.00 16.99 C -ATOM 2448 CG1 ILE A 317 21.449 -11.519 13.273 1.00 18.26 C -ATOM 2449 CG2 ILE A 317 21.672 -12.961 11.207 1.00 17.54 C -ATOM 2450 CD1 ILE A 317 20.854 -12.509 14.225 1.00 20.50 C -ATOM 2451 N THR A 318 25.465 -12.878 11.483 1.00 15.83 N -ATOM 2452 CA THR A 318 26.441 -13.536 10.573 1.00 16.85 C -ATOM 2453 C THR A 318 27.046 -14.742 11.252 1.00 17.58 C -ATOM 2454 O THR A 318 27.248 -15.812 10.621 1.00 19.12 O -ATOM 2455 CB THR A 318 27.506 -12.510 10.203 1.00 17.53 C -ATOM 2456 OG1 THR A 318 26.919 -11.506 9.377 1.00 18.95 O -ATOM 2457 CG2 THR A 318 28.623 -13.198 9.384 1.00 17.11 C -ATOM 2458 N ALA A 319 27.375 -14.660 12.539 1.00 18.01 N -ATOM 2459 CA ALA A 319 27.941 -15.795 13.250 1.00 16.59 C -ATOM 2460 C ALA A 319 26.968 -16.966 13.379 1.00 19.98 C -ATOM 2461 O ALA A 319 27.442 -18.106 13.472 1.00 22.80 O -ATOM 2462 CB ALA A 319 28.476 -15.393 14.616 1.00 18.34 C -ATOM 2463 N LEU A 320 25.660 -16.771 13.431 1.00 20.09 N -ATOM 2464 CA LEU A 320 24.726 -17.886 13.548 1.00 20.11 C -ATOM 2465 C LEU A 320 24.248 -18.464 12.229 1.00 21.46 C -ATOM 2466 O LEU A 320 23.906 -19.651 12.138 1.00 22.69 O -ATOM 2467 CB LEU A 320 23.479 -17.408 14.330 1.00 21.67 C -ATOM 2468 CG LEU A 320 23.775 -17.092 15.794 1.00 22.09 C -ATOM 2469 CD1 LEU A 320 22.707 -16.246 16.456 1.00 22.99 C -ATOM 2470 CD2 LEU A 320 23.959 -18.395 16.584 1.00 24.21 C -ATOM 2471 N ALA A 321 24.191 -17.654 11.184 1.00 20.93 N -ATOM 2472 CA ALA A 321 23.656 -18.087 9.889 1.00 21.97 C -ATOM 2473 C ALA A 321 24.660 -18.818 9.016 1.00 22.12 C -ATOM 2474 O ALA A 321 25.870 -18.741 9.206 1.00 20.61 O -ATOM 2475 CB ALA A 321 23.201 -16.820 9.163 1.00 21.04 C -ATOM 2476 N PRO A 322 24.140 -19.563 8.044 1.00 23.46 N -ATOM 2477 CA PRO A 322 24.991 -20.238 7.055 1.00 25.05 C -ATOM 2478 C PRO A 322 25.953 -19.247 6.432 1.00 26.04 C -ATOM 2479 O PRO A 322 25.638 -18.066 6.199 1.00 24.50 O -ATOM 2480 CB PRO A 322 23.998 -20.767 6.026 1.00 25.32 C -ATOM 2481 CG PRO A 322 22.733 -20.932 6.790 1.00 24.79 C -ATOM 2482 CD PRO A 322 22.706 -19.729 7.723 1.00 24.30 C -ATOM 2483 N SER A 323 27.161 -19.699 6.101 1.00 26.48 N -ATOM 2484 CA SER A 323 28.209 -18.880 5.526 1.00 27.64 C -ATOM 2485 C SER A 323 27.894 -18.145 4.246 1.00 28.45 C -ATOM 2486 O SER A 323 28.496 -17.092 3.988 1.00 29.47 O -ATOM 2487 CB SER A 323 29.466 -19.751 5.249 1.00 29.35 C -ATOM 2488 OG SER A 323 29.253 -20.500 4.067 1.00 30.97 O -ATOM 2489 N THR A 324 27.025 -18.652 3.385 1.00 28.41 N -ATOM 2490 CA THR A 324 26.710 -17.986 2.129 1.00 29.05 C -ATOM 2491 C THR A 324 25.476 -17.109 2.240 1.00 26.74 C -ATOM 2492 O THR A 324 25.045 -16.527 1.241 1.00 27.70 O -ATOM 2493 CB THR A 324 26.503 -19.045 1.028 1.00 30.43 C -ATOM 2494 OG1 THR A 324 26.054 -18.447 -0.198 1.00 33.75 O -ATOM 2495 CG2 THR A 324 25.490 -20.073 1.506 1.00 30.15 C -ATOM 2496 N MET A 325 24.945 -16.938 3.458 1.00 24.51 N -ATOM 2497 CA MET A 325 23.736 -16.127 3.599 1.00 21.98 C -ATOM 2498 C MET A 325 23.985 -14.635 3.531 1.00 20.97 C -ATOM 2499 O MET A 325 24.840 -14.154 4.279 1.00 22.06 O -ATOM 2500 CB MET A 325 23.085 -16.471 4.953 1.00 21.92 C -ATOM 2501 CG MET A 325 21.689 -15.867 5.066 1.00 21.56 C -ATOM 2502 SD MET A 325 20.527 -16.549 3.862 1.00 23.21 S -ATOM 2503 CE MET A 325 20.359 -18.230 4.420 1.00 22.84 C -ATOM 2504 N LYS A 326 23.277 -13.884 2.710 1.00 19.84 N -ATOM 2505 CA LYS A 326 23.330 -12.432 2.664 1.00 20.51 C -ATOM 2506 C LYS A 326 22.499 -11.868 3.828 1.00 19.50 C -ATOM 2507 O LYS A 326 21.337 -12.250 3.949 1.00 19.65 O -ATOM 2508 CB LYS A 326 22.781 -11.878 1.344 1.00 22.97 C -ATOM 2509 CG LYS A 326 22.680 -10.370 1.315 1.00 25.82 C -ATOM 2510 CD LYS A 326 22.361 -9.783 -0.052 1.00 29.77 C -ATOM 2511 CE LYS A 326 22.423 -8.255 0.016 1.00 30.97 C -ATOM 2512 NZ LYS A 326 21.229 -7.747 0.769 1.00 32.73 N -ATOM 2513 N ILE A 327 23.132 -11.108 4.700 1.00 17.79 N -ATOM 2514 CA ILE A 327 22.490 -10.575 5.903 1.00 17.55 C -ATOM 2515 C ILE A 327 22.472 -9.061 5.800 1.00 15.53 C -ATOM 2516 O ILE A 327 23.471 -8.427 5.421 1.00 17.08 O -ATOM 2517 CB ILE A 327 23.306 -10.926 7.173 1.00 19.04 C -ATOM 2518 CG1 ILE A 327 23.541 -12.425 7.332 1.00 21.62 C -ATOM 2519 CG2 ILE A 327 22.647 -10.341 8.430 1.00 19.84 C -ATOM 2520 CD1 ILE A 327 22.335 -13.288 7.249 1.00 23.52 C -ATOM 2521 N LYS A 328 21.347 -8.421 6.090 1.00 14.21 N -ATOM 2522 CA LYS A 328 21.244 -6.963 6.061 1.00 15.07 C -ATOM 2523 C LYS A 328 20.351 -6.533 7.232 1.00 14.98 C -ATOM 2524 O LYS A 328 19.283 -7.085 7.441 1.00 14.32 O -ATOM 2525 CB LYS A 328 20.711 -6.433 4.736 1.00 18.03 C -ATOM 2526 CG LYS A 328 20.691 -4.914 4.620 1.00 20.58 C -ATOM 2527 CD LYS A 328 20.037 -4.462 3.325 1.00 24.92 C -ATOM 2528 CE LYS A 328 20.441 -3.098 2.837 1.00 28.26 C -ATOM 2529 NZ LYS A 328 19.622 -1.962 3.329 1.00 31.32 N -ATOM 2530 N ILE A 329 20.863 -5.560 7.965 1.00 13.49 N -ATOM 2531 CA ILE A 329 20.099 -4.973 9.073 1.00 13.65 C -ATOM 2532 C ILE A 329 19.718 -3.568 8.612 1.00 15.99 C -ATOM 2533 O ILE A 329 20.542 -2.789 8.115 1.00 18.39 O -ATOM 2534 CB ILE A 329 20.965 -4.816 10.331 1.00 13.70 C -ATOM 2535 CG1 ILE A 329 21.668 -6.104 10.728 1.00 16.49 C -ATOM 2536 CG2 ILE A 329 20.094 -4.316 11.492 1.00 14.15 C -ATOM 2537 CD1 ILE A 329 20.816 -7.321 10.846 1.00 16.91 C -ATOM 2538 N ILE A 330 18.442 -3.254 8.700 1.00 14.26 N -ATOM 2539 CA ILE A 330 17.908 -1.947 8.334 1.00 14.64 C -ATOM 2540 C ILE A 330 17.497 -1.243 9.632 1.00 14.03 C -ATOM 2541 O ILE A 330 16.673 -1.754 10.381 1.00 13.73 O -ATOM 2542 CB ILE A 330 16.720 -2.075 7.373 1.00 18.32 C -ATOM 2543 CG1 ILE A 330 17.168 -2.754 6.062 1.00 21.35 C -ATOM 2544 CG2 ILE A 330 16.159 -0.695 7.015 1.00 19.59 C -ATOM 2545 CD1 ILE A 330 16.812 -4.222 6.076 1.00 21.96 C -ATOM 2546 N ALA A 331 18.081 -0.088 9.903 1.00 13.80 N -ATOM 2547 CA ALA A 331 17.779 0.658 11.132 1.00 15.38 C -ATOM 2548 C ALA A 331 17.471 2.100 10.746 1.00 15.47 C -ATOM 2549 O ALA A 331 18.328 2.983 10.829 1.00 17.81 O -ATOM 2550 CB ALA A 331 19.010 0.642 12.039 1.00 17.52 C -ATOM 2551 N PRO A 332 16.207 2.347 10.429 1.00 15.36 N -ATOM 2552 CA PRO A 332 15.790 3.675 9.955 1.00 16.91 C -ATOM 2553 C PRO A 332 16.046 4.725 11.009 1.00 18.20 C -ATOM 2554 O PRO A 332 15.786 4.540 12.193 1.00 16.30 O -ATOM 2555 CB PRO A 332 14.303 3.493 9.672 1.00 17.28 C -ATOM 2556 CG PRO A 332 14.097 2.027 9.445 1.00 17.85 C -ATOM 2557 CD PRO A 332 15.113 1.364 10.330 1.00 16.14 C -ATOM 2558 N PRO A 333 16.396 5.949 10.614 1.00 18.86 N -ATOM 2559 CA PRO A 333 16.613 7.036 11.550 1.00 19.24 C -ATOM 2560 C PRO A 333 15.417 7.379 12.418 1.00 18.35 C -ATOM 2561 O PRO A 333 15.568 7.732 13.583 1.00 19.83 O -ATOM 2562 CB PRO A 333 17.020 8.216 10.666 1.00 20.57 C -ATOM 2563 CG PRO A 333 17.478 7.610 9.387 1.00 22.52 C -ATOM 2564 CD PRO A 333 16.721 6.314 9.206 1.00 20.28 C -ATOM 2565 N GLU A 334 14.203 7.228 11.914 1.00 21.20 N -ATOM 2566 CA GLU A 334 12.963 7.543 12.568 1.00 21.79 C -ATOM 2567 C GLU A 334 12.350 6.331 13.278 1.00 20.39 C -ATOM 2568 O GLU A 334 11.188 6.392 13.686 1.00 18.14 O -ATOM 2569 CB GLU A 334 11.897 7.933 11.530 1.00 26.11 C -ATOM 2570 CG GLU A 334 12.075 9.242 10.807 1.00 32.81 C -ATOM 2571 CD GLU A 334 11.578 9.175 9.373 1.00 36.52 C -ATOM 2572 OE1 GLU A 334 10.447 8.682 9.134 1.00 38.95 O -ATOM 2573 OE2 GLU A 334 12.358 9.608 8.487 1.00 38.87 O -ATOM 2574 N ARG A 335 13.151 5.306 13.512 1.00 17.13 N -ATOM 2575 CA ARG A 335 12.636 4.085 14.126 1.00 15.98 C -ATOM 2576 C ARG A 335 12.080 4.155 15.522 1.00 15.33 C -ATOM 2577 O ARG A 335 11.292 3.279 15.912 1.00 15.56 O -ATOM 2578 CB ARG A 335 13.701 2.992 14.004 1.00 15.30 C -ATOM 2579 CG ARG A 335 14.899 3.160 14.931 1.00 14.21 C -ATOM 2580 CD ARG A 335 15.840 2.006 14.502 1.00 14.62 C -ATOM 2581 NE ARG A 335 17.114 2.099 15.195 1.00 15.49 N -ATOM 2582 CZ ARG A 335 18.122 2.903 14.907 1.00 17.80 C -ATOM 2583 NH1 ARG A 335 18.034 3.750 13.893 1.00 17.42 N -ATOM 2584 NH2 ARG A 335 19.237 2.903 15.613 1.00 16.72 N -ATOM 2585 N LYS A 336 12.320 5.192 16.296 1.00 16.18 N -ATOM 2586 CA LYS A 336 11.647 5.392 17.581 1.00 17.02 C -ATOM 2587 C LYS A 336 10.140 5.539 17.363 1.00 16.67 C -ATOM 2588 O LYS A 336 9.331 5.365 18.281 1.00 16.70 O -ATOM 2589 CB LYS A 336 12.244 6.687 18.136 1.00 21.07 C -ATOM 2590 CG LYS A 336 11.766 7.195 19.458 1.00 23.91 C -ATOM 2591 CD LYS A 336 12.654 8.354 19.904 1.00 25.63 C -ATOM 2592 CE LYS A 336 12.358 8.713 21.342 1.00 26.45 C -ATOM 2593 NZ LYS A 336 13.398 9.654 21.831 1.00 27.61 N -ATOM 2594 N TYR A 337 9.696 6.026 16.204 1.00 14.50 N -ATOM 2595 CA TYR A 337 8.301 6.223 15.891 1.00 15.62 C -ATOM 2596 C TYR A 337 7.881 5.458 14.647 1.00 15.19 C -ATOM 2597 O TYR A 337 6.834 5.755 14.076 1.00 13.39 O -ATOM 2598 CB TYR A 337 8.008 7.722 15.659 1.00 17.56 C -ATOM 2599 CG TYR A 337 8.381 8.596 16.840 1.00 20.97 C -ATOM 2600 CD1 TYR A 337 7.776 8.352 18.063 1.00 21.52 C -ATOM 2601 CD2 TYR A 337 9.335 9.592 16.733 1.00 23.01 C -ATOM 2602 CE1 TYR A 337 8.090 9.106 19.191 1.00 23.72 C -ATOM 2603 CE2 TYR A 337 9.655 10.348 17.864 1.00 25.50 C -ATOM 2604 CZ TYR A 337 9.028 10.093 19.057 1.00 25.00 C -ATOM 2605 OH TYR A 337 9.354 10.857 20.172 1.00 28.34 O -ATOM 2606 N SER A 338 8.630 4.404 14.237 1.00 13.82 N -ATOM 2607 CA SER A 338 8.236 3.772 12.955 1.00 14.67 C -ATOM 2608 C SER A 338 6.887 3.051 13.046 1.00 13.06 C -ATOM 2609 O SER A 338 6.200 3.018 12.029 1.00 13.03 O -ATOM 2610 CB SER A 338 9.345 2.871 12.431 1.00 17.41 C -ATOM 2611 OG SER A 338 9.504 1.861 13.383 1.00 15.81 O -ATOM 2612 N VAL A 339 6.474 2.546 14.211 1.00 11.04 N -ATOM 2613 CA VAL A 339 5.116 1.968 14.263 1.00 11.55 C -ATOM 2614 C VAL A 339 4.073 3.042 13.946 1.00 11.45 C -ATOM 2615 O VAL A 339 3.172 2.849 13.129 1.00 10.67 O -ATOM 2616 CB VAL A 339 4.759 1.341 15.636 1.00 10.06 C -ATOM 2617 CG1 VAL A 339 3.270 1.045 15.733 1.00 12.80 C -ATOM 2618 CG2 VAL A 339 5.629 0.128 15.919 1.00 13.52 C -ATOM 2619 N TRP A 340 4.212 4.202 14.618 1.00 12.06 N -ATOM 2620 CA TRP A 340 3.225 5.273 14.381 1.00 11.00 C -ATOM 2621 C TRP A 340 3.266 5.715 12.921 1.00 11.45 C -ATOM 2622 O TRP A 340 2.229 5.907 12.294 1.00 12.52 O -ATOM 2623 CB TRP A 340 3.519 6.399 15.411 1.00 9.36 C -ATOM 2624 CG TRP A 340 2.426 7.436 15.252 1.00 10.69 C -ATOM 2625 CD1 TRP A 340 1.266 7.512 15.988 1.00 11.84 C -ATOM 2626 CD2 TRP A 340 2.340 8.494 14.307 1.00 12.10 C -ATOM 2627 NE1 TRP A 340 0.477 8.542 15.554 1.00 11.13 N -ATOM 2628 CE2 TRP A 340 1.110 9.145 14.509 1.00 11.93 C -ATOM 2629 CE3 TRP A 340 3.200 8.926 13.281 1.00 13.58 C -ATOM 2630 CZ2 TRP A 340 0.703 10.210 13.728 1.00 11.91 C -ATOM 2631 CZ3 TRP A 340 2.810 9.988 12.505 1.00 14.97 C -ATOM 2632 CH2 TRP A 340 1.566 10.633 12.738 1.00 13.93 C -ATOM 2633 N ILE A 341 4.500 5.883 12.378 1.00 11.37 N -ATOM 2634 CA ILE A 341 4.640 6.317 10.989 1.00 12.28 C -ATOM 2635 C ILE A 341 4.000 5.323 10.035 1.00 12.48 C -ATOM 2636 O ILE A 341 3.263 5.738 9.128 1.00 14.30 O -ATOM 2637 CB ILE A 341 6.113 6.571 10.662 1.00 14.30 C -ATOM 2638 CG1 ILE A 341 6.586 7.803 11.474 1.00 13.83 C -ATOM 2639 CG2 ILE A 341 6.321 6.845 9.171 1.00 15.24 C -ATOM 2640 CD1 ILE A 341 8.102 7.963 11.392 1.00 17.97 C -ATOM 2641 N GLY A 342 4.211 4.011 10.257 1.00 12.51 N -ATOM 2642 CA GLY A 342 3.549 3.052 9.373 1.00 12.40 C -ATOM 2643 C GLY A 342 2.035 3.217 9.440 1.00 13.02 C -ATOM 2644 O GLY A 342 1.335 3.090 8.451 1.00 14.19 O -ATOM 2645 N GLY A 343 1.487 3.433 10.642 1.00 12.73 N -ATOM 2646 CA GLY A 343 0.060 3.666 10.796 1.00 11.55 C -ATOM 2647 C GLY A 343 -0.348 4.932 10.033 1.00 11.72 C -ATOM 2648 O GLY A 343 -1.420 4.892 9.419 1.00 13.61 O -ATOM 2649 N SER A 344 0.408 5.997 10.173 1.00 12.53 N -ATOM 2650 CA SER A 344 0.120 7.232 9.451 1.00 15.74 C -ATOM 2651 C SER A 344 0.082 7.003 7.941 1.00 18.59 C -ATOM 2652 O SER A 344 -0.850 7.457 7.259 1.00 18.54 O -ATOM 2653 CB SER A 344 1.131 8.290 9.851 1.00 16.29 C -ATOM 2654 OG SER A 344 0.951 9.553 9.244 1.00 20.92 O -ATOM 2655 N ILE A 345 1.011 6.228 7.387 1.00 17.67 N -ATOM 2656 CA ILE A 345 1.049 6.000 5.940 1.00 20.68 C -ATOM 2657 C ILE A 345 -0.195 5.261 5.489 1.00 19.64 C -ATOM 2658 O ILE A 345 -0.966 5.630 4.596 1.00 17.93 O -ATOM 2659 CB ILE A 345 2.346 5.257 5.568 1.00 23.63 C -ATOM 2660 CG1 ILE A 345 3.575 6.131 5.818 1.00 25.73 C -ATOM 2661 CG2 ILE A 345 2.286 4.866 4.094 1.00 25.55 C -ATOM 2662 CD1 ILE A 345 4.817 5.325 6.164 1.00 26.85 C -ATOM 2663 N LEU A 346 -0.570 4.228 6.248 1.00 18.56 N -ATOM 2664 CA LEU A 346 -1.689 3.384 5.950 1.00 16.49 C -ATOM 2665 C LEU A 346 -3.011 4.131 6.037 1.00 17.52 C -ATOM 2666 O LEU A 346 -3.859 4.160 5.150 1.00 18.83 O -ATOM 2667 CB LEU A 346 -1.613 2.198 6.933 1.00 19.87 C -ATOM 2668 CG LEU A 346 -2.172 0.907 6.367 1.00 16.76 C -ATOM 2669 CD1 LEU A 346 -1.404 0.457 5.106 1.00 15.28 C -ATOM 2670 CD2 LEU A 346 -2.261 -0.187 7.436 1.00 15.18 C -ATOM 2671 N ALA A 347 -3.210 4.856 7.157 1.00 15.22 N -ATOM 2672 CA ALA A 347 -4.418 5.615 7.396 1.00 15.01 C -ATOM 2673 C ALA A 347 -4.587 6.825 6.486 1.00 15.84 C -ATOM 2674 O ALA A 347 -5.741 7.252 6.363 1.00 19.32 O -ATOM 2675 CB ALA A 347 -4.454 6.032 8.871 1.00 15.00 C -ATOM 2676 N SER A 348 -3.556 7.298 5.819 1.00 15.98 N -ATOM 2677 CA SER A 348 -3.691 8.428 4.907 1.00 17.80 C -ATOM 2678 C SER A 348 -3.988 7.920 3.496 1.00 18.51 C -ATOM 2679 O SER A 348 -4.149 8.781 2.623 1.00 20.08 O -ATOM 2680 CB SER A 348 -2.422 9.262 4.799 1.00 18.70 C -ATOM 2681 OG ASER A 348 -1.331 8.501 4.329 0.50 17.36 O -ATOM 2682 OG BSER A 348 -1.686 9.574 5.914 0.50 19.24 O -ATOM 2683 N LEU A 349 -4.105 6.629 3.233 1.00 18.62 N -ATOM 2684 CA LEU A 349 -4.384 6.122 1.892 1.00 21.03 C -ATOM 2685 C LEU A 349 -5.896 6.060 1.703 1.00 21.86 C -ATOM 2686 O LEU A 349 -6.527 5.005 1.772 1.00 22.89 O -ATOM 2687 CB LEU A 349 -3.718 4.771 1.672 1.00 22.58 C -ATOM 2688 CG LEU A 349 -2.187 4.801 1.772 1.00 24.82 C -ATOM 2689 CD1 LEU A 349 -1.657 3.385 1.658 1.00 25.28 C -ATOM 2690 CD2 LEU A 349 -1.581 5.741 0.740 1.00 27.15 C -ATOM 2691 N SER A 350 -6.449 7.226 1.388 1.00 23.02 N -ATOM 2692 CA SER A 350 -7.877 7.404 1.183 1.00 23.82 C -ATOM 2693 C SER A 350 -8.430 6.662 -0.020 1.00 22.26 C -ATOM 2694 O SER A 350 -9.620 6.346 -0.021 1.00 22.27 O -ATOM 2695 CB SER A 350 -8.263 8.889 1.150 1.00 25.39 C -ATOM 2696 OG SER A 350 -7.556 9.513 0.091 1.00 29.41 O -ATOM 2697 N THR A 351 -7.599 6.266 -0.973 1.00 23.23 N -ATOM 2698 CA THR A 351 -7.996 5.373 -2.044 1.00 23.78 C -ATOM 2699 C THR A 351 -8.468 4.030 -1.482 1.00 21.79 C -ATOM 2700 O THR A 351 -9.357 3.370 -2.019 1.00 20.64 O -ATOM 2701 CB THR A 351 -6.789 5.181 -2.983 1.00 26.65 C -ATOM 2702 OG1 THR A 351 -5.572 4.963 -2.252 1.00 30.13 O -ATOM 2703 CG2 THR A 351 -6.621 6.470 -3.777 1.00 25.98 C -ATOM 2704 N PHE A 352 -7.922 3.631 -0.325 1.00 17.58 N -ATOM 2705 CA PHE A 352 -8.291 2.417 0.380 1.00 16.53 C -ATOM 2706 C PHE A 352 -9.250 2.686 1.526 1.00 16.31 C -ATOM 2707 O PHE A 352 -9.371 1.902 2.464 1.00 14.88 O -ATOM 2708 CB PHE A 352 -6.978 1.793 0.908 1.00 17.02 C -ATOM 2709 CG PHE A 352 -6.246 1.049 -0.184 1.00 16.54 C -ATOM 2710 CD1 PHE A 352 -5.485 1.701 -1.137 1.00 18.24 C -ATOM 2711 CD2 PHE A 352 -6.351 -0.339 -0.220 1.00 15.50 C -ATOM 2712 CE1 PHE A 352 -4.844 0.981 -2.121 1.00 19.01 C -ATOM 2713 CE2 PHE A 352 -5.708 -1.057 -1.218 1.00 18.37 C -ATOM 2714 CZ PHE A 352 -4.962 -0.396 -2.169 1.00 17.64 C -ATOM 2715 N GLN A 353 -10.074 3.737 1.391 1.00 17.17 N -ATOM 2716 CA GLN A 353 -11.005 4.063 2.489 1.00 18.62 C -ATOM 2717 C GLN A 353 -12.002 2.963 2.764 1.00 17.90 C -ATOM 2718 O GLN A 353 -12.473 2.855 3.908 1.00 18.57 O -ATOM 2719 CB GLN A 353 -11.700 5.402 2.224 1.00 22.71 C -ATOM 2720 CG GLN A 353 -12.611 5.377 1.028 1.00 26.62 C -ATOM 2721 CD GLN A 353 -12.921 6.729 0.414 1.00 31.04 C -ATOM 2722 OE1 GLN A 353 -13.828 6.855 -0.417 1.00 32.79 O -ATOM 2723 NE2 GLN A 353 -12.188 7.766 0.805 1.00 33.16 N -ATOM 2724 N GLN A 354 -12.323 2.077 1.819 1.00 18.47 N -ATOM 2725 CA GLN A 354 -13.190 0.962 2.082 1.00 17.72 C -ATOM 2726 C GLN A 354 -12.503 0.020 3.065 1.00 18.79 C -ATOM 2727 O GLN A 354 -13.271 -0.701 3.646 1.00 19.99 O -ATOM 2728 CB GLN A 354 -13.669 0.192 0.847 1.00 20.08 C -ATOM 2729 CG GLN A 354 -12.626 -0.654 0.134 1.00 20.01 C -ATOM 2730 CD GLN A 354 -12.601 -2.090 0.597 1.00 21.72 C -ATOM 2731 OE1 GLN A 354 -13.612 -2.577 1.124 1.00 24.51 O -ATOM 2732 NE2 GLN A 354 -11.477 -2.779 0.456 1.00 20.34 N -ATOM 2733 N MET A 355 -11.232 -0.046 3.361 1.00 16.11 N -ATOM 2734 CA MET A 355 -10.684 -0.963 4.353 1.00 16.72 C -ATOM 2735 C MET A 355 -11.035 -0.557 5.781 1.00 15.03 C -ATOM 2736 O MET A 355 -10.973 -1.413 6.671 1.00 16.16 O -ATOM 2737 CB MET A 355 -9.160 -0.998 4.198 1.00 17.69 C -ATOM 2738 CG MET A 355 -8.704 -1.640 2.873 1.00 19.73 C -ATOM 2739 SD MET A 355 -9.154 -3.391 2.863 1.00 21.27 S -ATOM 2740 CE MET A 355 -8.312 -4.044 4.292 1.00 22.40 C -ATOM 2741 N TRP A 356 -11.425 0.707 5.998 1.00 14.15 N -ATOM 2742 CA TRP A 356 -11.837 1.055 7.374 1.00 14.35 C -ATOM 2743 C TRP A 356 -13.033 0.218 7.782 1.00 13.17 C -ATOM 2744 O TRP A 356 -13.828 -0.024 6.870 1.00 15.65 O -ATOM 2745 CB TRP A 356 -12.309 2.511 7.449 1.00 14.00 C -ATOM 2746 CG TRP A 356 -11.216 3.512 7.311 1.00 14.49 C -ATOM 2747 CD1 TRP A 356 -10.921 4.273 6.214 1.00 15.21 C -ATOM 2748 CD2 TRP A 356 -10.224 3.865 8.301 1.00 12.28 C -ATOM 2749 NE1 TRP A 356 -9.861 5.116 6.441 1.00 14.56 N -ATOM 2750 CE2 TRP A 356 -9.429 4.882 7.738 1.00 12.00 C -ATOM 2751 CE3 TRP A 356 -10.011 3.471 9.624 1.00 11.85 C -ATOM 2752 CZ2 TRP A 356 -8.375 5.450 8.438 1.00 11.42 C -ATOM 2753 CZ3 TRP A 356 -8.956 4.047 10.305 1.00 12.68 C -ATOM 2754 CH2 TRP A 356 -8.169 5.030 9.715 1.00 12.25 C -ATOM 2755 N ILE A 357 -13.276 -0.132 8.999 1.00 13.26 N -ATOM 2756 CA ILE A 357 -14.504 -0.783 9.463 1.00 14.16 C -ATOM 2757 C ILE A 357 -15.404 0.355 9.920 1.00 14.79 C -ATOM 2758 O ILE A 357 -15.004 1.082 10.849 1.00 13.60 O -ATOM 2759 CB ILE A 357 -14.172 -1.684 10.661 1.00 15.30 C -ATOM 2760 CG1 ILE A 357 -13.243 -2.819 10.231 1.00 19.16 C -ATOM 2761 CG2 ILE A 357 -15.462 -2.214 11.299 1.00 16.83 C -ATOM 2762 CD1 ILE A 357 -12.414 -3.399 11.349 1.00 21.92 C -ATOM 2763 N THR A 358 -16.552 0.593 9.276 1.00 15.54 N -ATOM 2764 CA THR A 358 -17.397 1.703 9.700 1.00 15.20 C -ATOM 2765 C THR A 358 -18.315 1.246 10.839 1.00 15.15 C -ATOM 2766 O THR A 358 -18.478 0.045 11.055 1.00 14.50 O -ATOM 2767 CB THR A 358 -18.326 2.140 8.545 1.00 15.65 C -ATOM 2768 OG1 THR A 358 -19.179 1.044 8.184 1.00 16.78 O -ATOM 2769 CG2 THR A 358 -17.485 2.525 7.334 1.00 16.56 C -ATOM 2770 N LYS A 359 -18.898 2.241 11.491 1.00 16.76 N -ATOM 2771 CA LYS A 359 -19.853 1.929 12.555 1.00 18.99 C -ATOM 2772 C LYS A 359 -21.028 1.117 12.009 1.00 19.63 C -ATOM 2773 O LYS A 359 -21.394 0.158 12.667 1.00 17.99 O -ATOM 2774 CB LYS A 359 -20.354 3.221 13.199 1.00 22.17 C -ATOM 2775 CG LYS A 359 -21.513 3.005 14.162 1.00 27.03 C -ATOM 2776 CD LYS A 359 -21.113 2.204 15.379 1.00 30.55 C -ATOM 2777 CE LYS A 359 -21.932 2.601 16.605 1.00 32.24 C -ATOM 2778 NZ LYS A 359 -21.838 1.555 17.664 1.00 34.37 N -ATOM 2779 N GLN A 360 -21.488 1.369 10.785 1.00 18.99 N -ATOM 2780 CA GLN A 360 -22.576 0.564 10.241 1.00 21.21 C -ATOM 2781 C GLN A 360 -22.156 -0.872 10.001 1.00 21.22 C -ATOM 2782 O GLN A 360 -22.901 -1.818 10.266 1.00 22.33 O -ATOM 2783 CB GLN A 360 -23.082 1.195 8.944 1.00 24.33 C -ATOM 2784 CG GLN A 360 -24.319 0.486 8.390 1.00 28.82 C -ATOM 2785 CD GLN A 360 -24.937 1.355 7.308 1.00 30.84 C -ATOM 2786 OE1 GLN A 360 -25.983 1.966 7.545 1.00 34.51 O -ATOM 2787 NE2 GLN A 360 -24.305 1.413 6.144 1.00 32.98 N -ATOM 2788 N GLU A 361 -20.928 -1.082 9.517 1.00 19.75 N -ATOM 2789 CA GLU A 361 -20.482 -2.451 9.303 1.00 20.24 C -ATOM 2790 C GLU A 361 -20.370 -3.242 10.590 1.00 21.37 C -ATOM 2791 O GLU A 361 -20.745 -4.412 10.667 1.00 22.52 O -ATOM 2792 CB GLU A 361 -19.121 -2.461 8.595 1.00 20.11 C -ATOM 2793 CG GLU A 361 -19.420 -1.982 7.175 1.00 22.61 C -ATOM 2794 CD GLU A 361 -18.116 -1.694 6.523 1.00 25.67 C -ATOM 2795 OE1 GLU A 361 -18.094 -1.783 5.270 1.00 27.62 O -ATOM 2796 OE2 GLU A 361 -17.121 -1.396 7.262 1.00 23.82 O -ATOM 2797 N TYR A 362 -19.881 -2.570 11.631 1.00 21.27 N -ATOM 2798 CA TYR A 362 -19.755 -3.226 12.933 1.00 23.11 C -ATOM 2799 C TYR A 362 -21.118 -3.614 13.498 1.00 25.48 C -ATOM 2800 O TYR A 362 -21.284 -4.681 14.079 1.00 25.57 O -ATOM 2801 CB TYR A 362 -19.062 -2.237 13.871 1.00 22.51 C -ATOM 2802 CG TYR A 362 -18.838 -2.815 15.252 1.00 24.07 C -ATOM 2803 CD1 TYR A 362 -17.945 -3.862 15.457 1.00 24.13 C -ATOM 2804 CD2 TYR A 362 -19.524 -2.284 16.313 1.00 24.34 C -ATOM 2805 CE1 TYR A 362 -17.752 -4.361 16.735 1.00 25.56 C -ATOM 2806 CE2 TYR A 362 -19.331 -2.767 17.603 1.00 24.74 C -ATOM 2807 CZ TYR A 362 -18.434 -3.799 17.788 1.00 25.94 C -ATOM 2808 OH TYR A 362 -18.258 -4.284 19.071 1.00 28.03 O -ATOM 2809 N ASP A 363 -22.085 -2.722 13.337 1.00 26.89 N -ATOM 2810 CA ASP A 363 -23.436 -2.980 13.832 1.00 30.03 C -ATOM 2811 C ASP A 363 -24.086 -4.143 13.101 1.00 31.73 C -ATOM 2812 O ASP A 363 -24.834 -4.910 13.707 1.00 32.83 O -ATOM 2813 CB ASP A 363 -24.301 -1.727 13.682 1.00 31.22 C -ATOM 2814 CG ASP A 363 -24.055 -0.683 14.749 1.00 32.18 C -ATOM 2815 OD1 ASP A 363 -23.523 -1.037 15.821 1.00 33.60 O -ATOM 2816 OD2 ASP A 363 -24.372 0.509 14.534 1.00 33.75 O -ATOM 2817 N GLU A 364 -23.811 -4.281 11.810 1.00 33.21 N -ATOM 2818 CA GLU A 364 -24.391 -5.333 11.001 1.00 35.84 C -ATOM 2819 C GLU A 364 -23.659 -6.662 11.066 1.00 36.69 C -ATOM 2820 O GLU A 364 -24.320 -7.700 10.969 1.00 37.45 O -ATOM 2821 CB GLU A 364 -24.472 -4.851 9.539 1.00 37.93 C -ATOM 2822 CG GLU A 364 -25.428 -3.681 9.374 1.00 40.53 C -ATOM 2823 CD GLU A 364 -25.847 -3.373 7.957 1.00 42.00 C -ATOM 2824 OE1 GLU A 364 -25.298 -3.945 6.988 1.00 42.94 O -ATOM 2825 OE2 GLU A 364 -26.751 -2.514 7.790 1.00 43.01 O -ATOM 2826 N ALA A 365 -22.341 -6.672 11.257 1.00 37.31 N -ATOM 2827 CA ALA A 365 -21.596 -7.925 11.224 1.00 37.78 C -ATOM 2828 C ALA A 365 -21.181 -8.484 12.569 1.00 38.33 C -ATOM 2829 O ALA A 365 -20.864 -9.679 12.637 1.00 39.52 O -ATOM 2830 CB ALA A 365 -20.354 -7.760 10.351 1.00 37.34 C -ATOM 2831 N GLY A 366 -21.145 -7.676 13.612 1.00 38.30 N -ATOM 2832 CA GLY A 366 -20.716 -8.157 14.913 1.00 38.33 C -ATOM 2833 C GLY A 366 -19.219 -7.926 15.137 1.00 38.34 C -ATOM 2834 O GLY A 366 -18.541 -7.233 14.384 1.00 37.83 O -ATOM 2835 N PRO A 367 -18.709 -8.541 16.200 1.00 38.29 N -ATOM 2836 CA PRO A 367 -17.328 -8.423 16.613 1.00 37.65 C -ATOM 2837 C PRO A 367 -16.343 -9.181 15.759 1.00 36.74 C -ATOM 2838 O PRO A 367 -15.163 -8.825 15.654 1.00 37.47 O -ATOM 2839 CB PRO A 367 -17.338 -8.966 18.046 1.00 38.45 C -ATOM 2840 CG PRO A 367 -18.467 -9.934 18.076 1.00 38.96 C -ATOM 2841 CD PRO A 367 -19.500 -9.389 17.133 1.00 38.17 C -ATOM 2842 N SER A 368 -16.786 -10.222 15.066 1.00 37.05 N -ATOM 2843 CA SER A 368 -15.925 -11.016 14.203 1.00 36.76 C -ATOM 2844 C SER A 368 -15.375 -10.223 13.029 1.00 34.59 C -ATOM 2845 O SER A 368 -14.385 -10.619 12.407 1.00 34.76 O -ATOM 2846 CB SER A 368 -16.684 -12.257 13.707 1.00 38.00 C -ATOM 2847 OG SER A 368 -17.595 -11.879 12.681 1.00 39.36 O -ATOM 2848 N ILE A 369 -15.963 -9.085 12.684 1.00 32.59 N -ATOM 2849 CA ILE A 369 -15.564 -8.257 11.574 1.00 29.67 C -ATOM 2850 C ILE A 369 -14.203 -7.588 11.655 1.00 28.18 C -ATOM 2851 O ILE A 369 -13.702 -7.157 10.608 1.00 27.57 O -ATOM 2852 CB ILE A 369 -16.651 -7.165 11.350 1.00 29.93 C -ATOM 2853 CG1 ILE A 369 -16.594 -6.712 9.892 1.00 29.85 C -ATOM 2854 CG2 ILE A 369 -16.472 -6.007 12.317 1.00 29.65 C -ATOM 2855 CD1 ILE A 369 -17.526 -5.596 9.502 1.00 30.74 C -ATOM 2856 N VAL A 370 -13.592 -7.440 12.826 1.00 27.67 N -ATOM 2857 CA VAL A 370 -12.314 -6.723 12.917 1.00 27.17 C -ATOM 2858 C VAL A 370 -11.124 -7.600 12.577 1.00 27.13 C -ATOM 2859 O VAL A 370 -9.998 -7.118 12.396 1.00 25.50 O -ATOM 2860 CB VAL A 370 -12.158 -6.074 14.310 1.00 26.74 C -ATOM 2861 CG1 VAL A 370 -11.883 -7.092 15.396 1.00 25.94 C -ATOM 2862 CG2 VAL A 370 -11.054 -5.012 14.305 1.00 28.50 C -ATOM 2863 N HIS A 371 -11.351 -8.906 12.440 1.00 26.97 N -ATOM 2864 CA HIS A 371 -10.291 -9.836 12.097 1.00 29.54 C -ATOM 2865 C HIS A 371 -10.166 -10.077 10.596 1.00 32.84 C -ATOM 2866 O HIS A 371 -11.096 -9.944 9.823 1.00 32.44 O -ATOM 2867 CB HIS A 371 -10.556 -11.205 12.739 1.00 27.81 C -ATOM 2868 CG HIS A 371 -10.996 -11.134 14.164 1.00 27.93 C -ATOM 2869 ND1 HIS A 371 -10.203 -10.592 15.163 1.00 26.97 N -ATOM 2870 CD2 HIS A 371 -12.146 -11.540 14.757 1.00 26.29 C -ATOM 2871 CE1 HIS A 371 -10.865 -10.656 16.306 1.00 27.46 C -ATOM 2872 NE2 HIS A 371 -12.034 -11.230 16.090 1.00 27.43 N -ATOM 2873 N ARG A 372 -8.961 -10.464 10.194 1.00 37.59 N -ATOM 2874 CA ARG A 372 -8.697 -10.918 8.841 1.00 42.40 C -ATOM 2875 C ARG A 372 -9.356 -10.151 7.707 1.00 44.23 C -ATOM 2876 O ARG A 372 -10.382 -10.657 7.169 1.00 46.41 O -ATOM 2877 CB ARG A 372 -9.217 -12.376 8.828 1.00 44.39 C -ATOM 2878 CG ARG A 372 -8.193 -13.377 8.341 1.00 46.67 C -ATOM 2879 CD ARG A 372 -6.974 -13.375 9.270 1.00 48.27 C -ATOM 2880 NE ARG A 372 -5.798 -13.594 8.435 1.00 49.34 N -ATOM 2881 CZ ARG A 372 -4.574 -13.155 8.671 1.00 49.41 C -ATOM 2882 NH1 ARG A 372 -4.261 -12.436 9.733 1.00 49.93 N -ATOM 2883 NH2 ARG A 372 -3.662 -13.464 7.762 1.00 50.09 N -TER 2884 ARG A 372 -HETATM 2885 CA CA A 382 5.549 -0.295 20.837 1.00 12.42 CA -HETATM 2886 CA CA A 383 19.983 11.663 46.150 1.00 27.71 CA -HETATM 2887 CA CA A 384 -15.322 -1.217 5.169 1.00 18.33 CA -HETATM 2888 CA CA A 385 33.844 -11.381 23.219 1.00 27.47 CA -HETATM 2889 CA CA A 386 4.358 14.630 26.361 1.00 35.48 CA -HETATM 2890 CA CA A 387 16.363 -14.743 37.720 1.00 80.06 CA -HETATM 2891 PB ADP A1380 6.715 1.284 23.822 1.00 10.75 P -HETATM 2892 O1B ADP A1380 6.069 1.392 22.504 1.00 11.21 O -HETATM 2893 O2B ADP A1380 6.011 2.215 24.754 1.00 12.60 O -HETATM 2894 O3B ADP A1380 6.947 -0.153 24.350 1.00 10.01 O -HETATM 2895 PA ADP A1380 8.861 2.836 22.552 1.00 11.15 P -HETATM 2896 O1A ADP A1380 9.152 2.206 21.249 1.00 11.64 O -HETATM 2897 O2A ADP A1380 8.066 4.096 22.476 1.00 11.43 O -HETATM 2898 O3A ADP A1380 8.184 1.848 23.579 1.00 10.78 O -HETATM 2899 O5' ADP A1380 10.306 3.119 23.188 1.00 11.12 O -HETATM 2900 C5' ADP A1380 10.344 3.797 24.488 1.00 12.09 C -HETATM 2901 C4' ADP A1380 11.628 3.317 25.173 1.00 11.12 C -HETATM 2902 O4' ADP A1380 12.741 3.662 24.301 1.00 12.23 O -HETATM 2903 C3' ADP A1380 11.864 4.029 26.530 1.00 10.30 C -HETATM 2904 O3' ADP A1380 12.413 3.034 27.424 1.00 11.87 O -HETATM 2905 C2' ADP A1380 12.965 5.039 26.176 1.00 11.27 C -HETATM 2906 O2' ADP A1380 13.809 5.377 27.292 1.00 10.52 O -HETATM 2907 C1' ADP A1380 13.680 4.380 25.032 1.00 12.57 C -HETATM 2908 N9 ADP A1380 14.445 5.267 24.176 1.00 10.99 N -HETATM 2909 C8 ADP A1380 14.020 6.369 23.497 1.00 12.84 C -HETATM 2910 N7 ADP A1380 14.934 7.022 22.828 1.00 13.90 N -HETATM 2911 C5 ADP A1380 16.020 6.295 23.061 1.00 12.40 C -HETATM 2912 C6 ADP A1380 17.317 6.480 22.634 1.00 13.60 C -HETATM 2913 N6 ADP A1380 17.687 7.497 21.842 1.00 15.65 N -HETATM 2914 N1 ADP A1380 18.205 5.587 23.058 1.00 13.52 N -HETATM 2915 C2 ADP A1380 17.855 4.522 23.876 1.00 12.40 C -HETATM 2916 N3 ADP A1380 16.637 4.280 24.343 1.00 11.79 N -HETATM 2917 C4 ADP A1380 15.790 5.220 23.882 1.00 10.48 C -HETATM 2918 C RHO A1381 -1.961 -1.161 -0.359 1.00 18.64 C -HETATM 2919 C1 RHO A1381 -2.606 -0.183 0.443 1.00 17.96 C -HETATM 2920 C2 RHO A1381 -3.256 -0.635 1.579 1.00 17.81 C -HETATM 2921 C3 RHO A1381 -3.272 -2.043 1.958 1.00 18.46 C -HETATM 2922 C4 RHO A1381 -2.590 -3.024 1.116 1.00 19.17 C -HETATM 2923 C5 RHO A1381 -1.947 -2.549 -0.044 1.00 17.85 C -HETATM 2924 N RHO A1381 -1.294 -0.667 -1.581 1.00 19.28 N -HETATM 2925 C6 RHO A1381 -1.154 0.759 -1.847 1.00 20.37 C -HETATM 2926 C7 RHO A1381 -0.785 -1.703 -2.511 1.00 19.98 C -HETATM 2927 OH1 RHO A1381 -3.919 0.357 2.256 1.00 18.20 O -HETATM 2928 C8 RHO A1381 -4.043 -2.410 3.156 1.00 19.52 C -HETATM 2929 C9 RHO A1381 -4.666 0.028 3.379 1.00 16.62 C -HETATM 2930 C10 RHO A1381 -5.268 1.138 3.974 1.00 15.78 C -HETATM 2931 C11 RHO A1381 -6.010 0.886 5.181 1.00 16.29 C -HETATM 2932 C12 RHO A1381 -6.089 -0.460 5.720 1.00 15.79 C -HETATM 2933 C13 RHO A1381 -5.490 -1.567 5.122 1.00 16.84 C -HETATM 2934 C14 RHO A1381 -4.744 -1.347 3.898 1.00 17.39 C -HETATM 2935 N1 RHO A1381 -6.823 1.964 5.760 1.00 17.86 N -HETATM 2936 C15 RHO A1381 -7.020 3.284 5.108 1.00 17.06 C -HETATM 2937 C16 RHO A1381 -7.534 1.707 7.051 1.00 17.72 C -HETATM 2938 C17 RHO A1381 -4.379 -3.805 3.371 1.00 22.83 C -HETATM 2939 C18 RHO A1381 -4.016 -4.536 4.600 1.00 24.92 C -HETATM 2940 C19 RHO A1381 -4.409 -5.930 4.698 1.00 26.93 C -HETATM 2941 C20 RHO A1381 -5.218 -6.520 3.636 1.00 28.02 C -HETATM 2942 C21 RHO A1381 -5.610 -5.787 2.470 1.00 27.63 C -HETATM 2943 C22 RHO A1381 -5.205 -4.426 2.313 1.00 24.54 C -HETATM 2944 C23 RHO A1381 -3.213 -3.877 5.703 1.00 26.45 C -HETATM 2945 OH2 RHO A1381 -2.078 -3.206 5.319 1.00 25.71 O -HETATM 2946 OH3 RHO A1381 -3.408 -3.812 6.902 1.00 25.30 O -HETATM 2947 N2 RHO A1381 -5.696 -7.898 3.702 1.00 30.43 N -HETATM 2948 O HOH A1382 16.226 1.936 25.917 1.00 11.67 O -HETATM 2949 O HOH A1383 1.295 0.332 30.394 1.00 12.04 O -HETATM 2950 O HOH A1384 5.608 4.623 17.258 1.00 13.54 O -HETATM 2951 O HOH A1385 3.219 0.133 20.480 1.00 13.66 O -HETATM 2952 O HOH A1386 -3.953 -5.672 23.452 1.00 14.06 O -HETATM 2953 O HOH A1387 5.392 1.646 19.384 1.00 14.08 O -HETATM 2954 O HOH A1388 7.916 -0.105 20.227 1.00 14.35 O -HETATM 2955 O HOH A1389 7.966 3.104 18.968 1.00 14.58 O -HETATM 2956 O HOH A1390 5.504 -2.063 19.268 1.00 14.62 O -HETATM 2957 O HOH A1391 1.345 -2.324 22.813 1.00 15.21 O -HETATM 2958 O HOH A1392 3.917 -1.753 22.690 1.00 15.50 O -HETATM 2959 O HOH A1393 -1.857 -4.495 22.097 1.00 15.85 O -HETATM 2960 O HOH A1394 27.228 -3.221 24.333 1.00 15.93 O -HETATM 2961 O HOH A1395 8.166 -3.763 21.519 1.00 16.02 O -HETATM 2962 O HOH A1396 28.455 -2.098 17.540 1.00 16.12 O -HETATM 2963 O HOH A1397 25.540 -6.702 36.234 1.00 16.46 O -HETATM 2964 O HOH A1398 6.548 -1.915 22.337 1.00 16.75 O -HETATM 2965 O HOH A1399 0.746 -6.650 28.662 1.00 17.00 O -HETATM 2966 O HOH A1400 -1.409 -9.285 16.789 1.00 17.21 O -HETATM 2967 O HOH A1401 0.625 13.888 14.533 1.00 17.21 O -HETATM 2968 O HOH A1402 8.445 2.178 16.431 1.00 17.39 O -HETATM 2969 O HOH A1403 9.936 -4.940 31.173 1.00 17.88 O -HETATM 2970 O HOH A1404 10.782 1.097 9.822 1.00 18.11 O -HETATM 2971 O HOH A1405 26.013 -14.725 17.498 1.00 18.11 O -HETATM 2972 O HOH A1406 6.883 -3.233 34.266 1.00 18.29 O -HETATM 2973 O HOH A1407 19.593 -13.396 2.136 1.00 18.67 O -HETATM 2974 O HOH A1408 3.920 -4.650 21.818 1.00 18.73 O -HETATM 2975 O HOH A1409 13.220 4.453 30.208 1.00 18.82 O -HETATM 2976 O HOH A1410 7.677 -2.616 15.362 1.00 19.00 O -HETATM 2977 O HOH A1411 40.092 -8.754 24.378 1.00 19.16 O -HETATM 2978 O HOH A1412 22.981 -13.960 28.944 1.00 19.37 O -HETATM 2979 O HOH A1413 -9.283 -14.636 21.885 1.00 19.52 O -HETATM 2980 O HOH A1414 11.567 0.621 12.115 1.00 19.70 O -HETATM 2981 O HOH A1415 8.832 6.249 21.061 1.00 19.83 O -HETATM 2982 O HOH A1416 29.793 1.297 37.097 1.00 19.83 O -HETATM 2983 O HOH A1417 -0.777 -4.807 32.057 1.00 20.04 O -HETATM 2984 O HOH A1418 -1.052 -1.404 40.562 1.00 20.23 O -HETATM 2985 O HOH A1419 32.339 -0.999 19.570 1.00 20.61 O -HETATM 2986 O HOH A1420 -1.566 -5.563 10.541 1.00 20.86 O -HETATM 2987 O HOH A1421 33.990 -3.705 20.779 1.00 20.94 O -HETATM 2988 O HOH A1422 -14.993 3.404 4.761 1.00 21.11 O -HETATM 2989 O HOH A1423 -16.429 14.315 21.690 1.00 21.12 O -HETATM 2990 O HOH A1424 -11.705 2.422 -0.968 1.00 21.17 O -HETATM 2991 O HOH A1425 20.411 -15.020 29.836 1.00 21.20 O -HETATM 2992 O HOH A1426 -4.222 7.582 47.950 1.00 21.27 O -HETATM 2993 O HOH A1427 25.539 0.204 14.022 1.00 21.32 O -HETATM 2994 O HOH A1428 6.249 -5.428 20.671 1.00 21.44 O -HETATM 2995 O HOH A1429 -12.228 16.981 16.135 1.00 21.51 O -HETATM 2996 O HOH A1430 6.678 5.295 30.375 1.00 21.54 O -HETATM 2997 O HOH A1431 -8.694 10.051 31.371 1.00 21.96 O -HETATM 2998 O HOH A1432 30.252 -12.544 12.766 1.00 22.00 O -HETATM 2999 O HOH A1433 26.053 -10.620 4.419 1.00 22.10 O -HETATM 3000 O HOH A1434 1.813 12.983 30.276 1.00 22.22 O -HETATM 3001 O HOH A1435 14.029 -21.991 16.321 1.00 22.51 O -HETATM 3002 O HOH A1436 -5.764 -10.013 17.053 1.00 22.60 O -HETATM 3003 O HOH A1437 26.773 7.095 22.341 1.00 23.03 O -HETATM 3004 O HOH A1438 2.802 -10.426 22.694 1.00 23.48 O -HETATM 3005 O HOH A1439 -18.016 16.821 20.391 1.00 23.65 O -HETATM 3006 O HOH A1440 2.458 4.813 43.723 1.00 23.70 O -HETATM 3007 O HOH A1441 11.990 12.406 43.138 1.00 23.84 O -HETATM 3008 O HOH A1442 29.234 -5.770 11.792 1.00 23.89 O -HETATM 3009 O HOH A1443 43.042 -3.531 28.994 1.00 23.97 O -HETATM 3010 O HOH A1444 13.884 7.944 15.688 1.00 24.15 O -HETATM 3011 O HOH A1445 -19.710 4.810 16.447 1.00 24.18 O -HETATM 3012 O HOH A1446 21.350 -15.004 0.796 1.00 24.19 O -HETATM 3013 O HOH A1447 20.583 5.832 21.706 1.00 24.21 O -HETATM 3014 O HOH A1448 -9.115 -4.074 11.737 1.00 24.28 O -HETATM 3015 O HOH A1449 25.094 10.793 43.040 1.00 24.32 O -HETATM 3016 O HOH A1450 -7.027 -15.411 19.904 1.00 24.48 O -HETATM 3017 O HOH A1451 26.852 -14.400 5.848 1.00 24.52 O -HETATM 3018 O HOH A1452 13.954 -9.871 15.069 1.00 24.57 O -HETATM 3019 O HOH A1453 0.445 -10.994 15.852 1.00 24.71 O -HETATM 3020 O HOH A1454 25.651 3.755 14.849 1.00 24.80 O -HETATM 3021 O HOH A1455 26.875 -16.158 7.940 1.00 24.90 O -HETATM 3022 O HOH A1456 8.649 -24.417 1.552 1.00 24.91 O -HETATM 3023 O HOH A1457 -6.165 -10.429 26.227 1.00 24.98 O -HETATM 3024 O HOH A1458 29.875 -0.418 35.029 1.00 25.09 O -HETATM 3025 O HOH A1459 -0.826 -9.908 2.077 1.00 25.24 O -HETATM 3026 O HOH A1460 -10.427 -5.072 32.594 1.00 25.27 O -HETATM 3027 O HOH A1461 22.478 -16.119 29.374 1.00 25.50 O -HETATM 3028 O HOH A1462 -19.386 8.954 14.553 1.00 25.51 O -HETATM 3029 O HOH A1463 40.698 -1.453 29.999 1.00 25.56 O -HETATM 3030 O HOH A1464 5.786 -5.249 17.683 1.00 25.63 O -HETATM 3031 O HOH A1465 12.944 5.519 41.093 1.00 25.68 O -HETATM 3032 O HOH A1466 15.516 -8.367 12.657 1.00 25.75 O -HETATM 3033 O HOH A1467 11.265 -7.359 1.405 1.00 25.79 O -HETATM 3034 O HOH A1468 23.707 -4.610 7.758 1.00 25.99 O -HETATM 3035 O HOH A1469 23.124 1.268 14.382 1.00 26.11 O -HETATM 3036 O HOH A1470 21.866 -7.608 37.818 1.00 26.22 O -HETATM 3037 O HOH A1471 26.694 23.599 31.679 1.00 26.28 O -HETATM 3038 O HOH A1472 23.240 17.241 31.149 1.00 26.30 O -HETATM 3039 O HOH A1473 16.258 13.060 43.794 1.00 26.40 O -HETATM 3040 O HOH A1474 -4.546 13.156 34.260 1.00 26.56 O -HETATM 3041 O HOH A1475 7.081 17.889 7.124 1.00 26.62 O -HETATM 3042 O HOH A1476 -16.257 1.215 4.431 1.00 26.64 O -HETATM 3043 O HOH A1477 -19.170 5.745 9.620 1.00 26.66 O -HETATM 3044 O HOH A1478 20.840 16.327 40.523 1.00 26.71 O -HETATM 3045 O HOH A1479 6.027 -5.754 37.094 1.00 26.93 O -HETATM 3046 O HOH A1480 2.410 14.914 24.393 1.00 26.95 O -HETATM 3047 O HOH A1481 38.168 8.024 28.070 1.00 26.99 O -HETATM 3048 O HOH A1482 18.535 22.815 38.441 1.00 27.02 O -HETATM 3049 O HOH A1483 9.012 5.072 28.731 1.00 27.10 O -HETATM 3050 O HOH A1484 21.820 3.144 15.839 1.00 27.12 O -HETATM 3051 O HOH A1485 9.396 8.601 22.430 1.00 27.12 O -HETATM 3052 O HOH A1486 36.257 -10.905 22.844 1.00 27.12 O -HETATM 3053 O HOH A1487 9.421 5.840 7.588 1.00 27.22 O -HETATM 3054 O HOH A1488 -7.910 13.085 43.204 1.00 27.28 O -HETATM 3055 O HOH A1489 2.376 -12.909 23.829 1.00 27.37 O -HETATM 3056 O HOH A1490 19.828 2.422 41.981 1.00 27.37 O -HETATM 3057 O HOH A1491 -0.675 13.965 32.635 1.00 27.47 O -HETATM 3058 O HOH A1492 -21.149 4.068 9.391 1.00 27.50 O -HETATM 3059 O HOH A1493 -4.230 0.060 45.583 1.00 27.53 O -HETATM 3060 O HOH A1494 -7.193 -5.547 10.400 1.00 27.63 O -HETATM 3061 O HOH A1495 3.845 -6.218 16.478 1.00 27.63 O -HETATM 3062 O HOH A1496 19.438 -19.361 28.924 1.00 27.75 O -HETATM 3063 O HOH A1497 27.229 -11.508 6.675 1.00 27.80 O -HETATM 3064 O HOH A1498 -1.434 -3.620 8.742 1.00 28.00 O -HETATM 3065 O HOH A1499 34.726 3.135 32.625 1.00 28.11 O -HETATM 3066 O HOH A1500 29.723 -9.173 23.371 1.00 28.20 O -HETATM 3067 O HOH A1501 14.104 -14.363 24.958 1.00 28.29 O -HETATM 3068 O HOH A1502 13.547 7.062 9.132 1.00 28.33 O -HETATM 3069 O HOH A1503 -6.156 -8.734 28.401 1.00 28.34 O -HETATM 3070 O HOH A1504 21.079 13.507 47.509 1.00 28.38 O -HETATM 3071 O HOH A1505 25.863 17.317 30.346 1.00 28.63 O -HETATM 3072 O HOH A1506 -7.384 -10.456 15.057 1.00 28.89 O -HETATM 3073 O HOH A1507 11.663 -7.345 32.879 1.00 28.90 O -HETATM 3074 O HOH A1508 -21.063 14.625 18.515 1.00 28.91 O -HETATM 3075 O HOH A1509 23.277 -14.132 25.526 1.00 28.93 O -HETATM 3076 O HOH A1510 0.431 -6.817 33.249 1.00 29.04 O -HETATM 3077 O HOH A1511 14.387 14.538 37.033 1.00 29.07 O -HETATM 3078 O HOH A1512 10.920 4.106 4.199 1.00 29.11 O -HETATM 3079 O HOH A1513 18.588 8.102 48.266 1.00 29.15 O -HETATM 3080 O HOH A1514 11.058 3.503 31.309 1.00 29.16 O -HETATM 3081 O HOH A1515 -10.904 15.844 29.747 1.00 29.36 O -HETATM 3082 O HOH A1516 -4.776 -5.871 10.645 1.00 29.43 O -HETATM 3083 O HOH A1517 -20.547 1.430 5.777 1.00 29.47 O -HETATM 3084 O HOH A1518 -14.809 9.714 26.934 1.00 29.60 O -HETATM 3085 O HOH A1519 -8.278 -11.760 25.730 1.00 29.64 O -HETATM 3086 O HOH A1520 -14.168 -3.572 6.329 1.00 29.71 O -HETATM 3087 O HOH A1521 19.597 1.277 7.749 1.00 29.77 O -HETATM 3088 O HOH A1522 -0.680 -3.593 38.871 1.00 29.80 O -HETATM 3089 O HOH A1523 6.818 2.891 45.183 1.00 29.90 O -HETATM 3090 O HOH A1524 18.464 -22.316 7.069 1.00 30.02 O -HETATM 3091 O HOH A1525 29.459 -8.422 10.692 1.00 30.05 O -HETATM 3092 O HOH A1526 15.540 -19.247 1.904 1.00 30.30 O -HETATM 3093 O HOH A1527 7.851 10.495 8.815 1.00 30.35 O -HETATM 3094 O HOH A1528 -15.506 -2.678 2.940 1.00 30.55 O -HETATM 3095 O HOH A1529 20.946 17.637 34.114 1.00 30.62 O -HETATM 3096 O HOH A1530 22.051 11.162 44.811 1.00 30.64 O -HETATM 3097 O HOH A1531 21.368 -15.410 23.594 1.00 30.64 O -HETATM 3098 O HOH A1532 17.721 9.183 14.371 1.00 30.71 O -HETATM 3099 O HOH A1533 17.084 -8.848 14.850 1.00 30.73 O -HETATM 3100 O HOH A1534 31.126 -10.223 11.072 1.00 30.75 O -HETATM 3101 O HOH A1535 19.577 -20.414 8.771 1.00 30.77 O -HETATM 3102 O HOH A1536 28.121 -4.053 9.642 1.00 31.18 O -HETATM 3103 O HOH A1537 7.829 -18.849 18.456 1.00 31.28 O -HETATM 3104 O HOH A1538 12.134 -13.593 28.175 1.00 31.34 O -HETATM 3105 O HOH A1539 -10.301 5.149 40.913 1.00 31.46 O -HETATM 3106 O HOH A1540 22.742 7.143 22.624 1.00 31.58 O -HETATM 3107 O HOH A1541 8.085 3.157 31.534 1.00 31.61 O -HETATM 3108 O HOH A1542 16.844 -22.370 16.638 1.00 31.70 O -HETATM 3109 O HOH A1543 -6.072 -6.759 8.518 1.00 31.72 O -HETATM 3110 O HOH A1544 -4.039 6.931 50.380 1.00 31.81 O -HETATM 3111 O HOH A1545 -18.758 1.301 3.799 1.00 31.84 O -HETATM 3112 O HOH A1546 8.685 -16.305 22.867 1.00 31.90 O -HETATM 3113 O HOH A1547 43.357 -0.633 27.136 1.00 32.03 O -HETATM 3114 O HOH A1548 20.135 -15.108 35.041 1.00 32.09 O -HETATM 3115 O HOH A1549 -12.010 17.723 22.364 1.00 32.18 O -HETATM 3116 O HOH A1550 26.560 -11.609 22.128 1.00 32.19 O -HETATM 3117 O HOH A1551 20.901 10.041 48.523 1.00 32.33 O -HETATM 3118 O HOH A1552 -10.066 -5.124 9.111 1.00 32.38 O -HETATM 3119 O HOH A1553 11.242 7.912 24.092 1.00 32.46 O -HETATM 3120 O HOH A1554 14.171 -4.313 35.592 1.00 32.73 O -HETATM 3121 O HOH A1555 -0.476 -10.468 10.029 1.00 32.76 O -HETATM 3122 O HOH A1556 29.590 -14.850 5.450 1.00 32.89 O -HETATM 3123 O HOH A1557 -8.623 23.137 24.838 1.00 32.97 O -HETATM 3124 O HOH A1558 -25.302 1.370 12.334 1.00 32.99 O -HETATM 3125 O HOH A1559 10.905 -25.529 5.762 1.00 33.06 O -HETATM 3126 O HOH A1560 -3.893 18.324 18.400 1.00 33.18 O -HETATM 3127 O HOH A1561 15.394 11.742 28.202 1.00 33.31 O -HETATM 3128 O HOH A1562 -1.157 -8.022 9.422 1.00 33.31 O -HETATM 3129 O HOH A1563 16.289 9.798 20.883 1.00 33.51 O -HETATM 3130 O HOH A1564 -0.784 -6.972 6.554 1.00 33.63 O -HETATM 3131 O HOH A1565 -3.570 -6.368 34.772 1.00 33.68 O -HETATM 3132 O HOH A1566 31.673 14.614 27.604 1.00 33.90 O -HETATM 3133 O HOH A1567 12.884 10.353 24.659 1.00 33.93 O -HETATM 3134 O HOH A1568 18.758 -12.413 -0.494 1.00 34.07 O -HETATM 3135 O HOH A1569 -7.991 10.077 34.064 1.00 34.12 O -HETATM 3136 O HOH A1570 34.114 4.581 23.403 1.00 34.12 O -HETATM 3137 O HOH A1571 21.128 -22.178 10.066 1.00 34.17 O -HETATM 3138 O HOH A1572 -11.194 -4.035 6.812 1.00 34.19 O -HETATM 3139 O HOH A1573 -9.956 -9.719 26.223 1.00 34.24 O -HETATM 3140 O HOH A1574 -16.400 -6.323 19.329 1.00 34.44 O -HETATM 3141 O HOH A1575 -23.736 5.052 9.462 1.00 34.49 O -HETATM 3142 O HOH A1576 33.727 1.671 20.090 1.00 34.49 O -HETATM 3143 O HOH A1577 23.996 -21.664 14.451 1.00 34.50 O -HETATM 3144 O HOH A1578 19.615 -21.190 18.658 1.00 34.55 O -HETATM 3145 O HOH A1579 -8.106 6.646 4.515 1.00 34.57 O -HETATM 3146 O HOH A1580 4.026 -11.492 32.481 1.00 34.63 O -HETATM 3147 O HOH A1581 -11.605 -7.225 8.944 1.00 34.74 O -HETATM 3148 O HOH A1582 8.842 -6.122 0.069 1.00 34.99 O -HETATM 3149 O HOH A1583 -13.909 0.103 29.275 1.00 35.06 O -HETATM 3150 O HOH A1584 5.958 -15.970 21.640 1.00 35.19 O -HETATM 3151 O HOH A1585 25.524 -14.096 28.430 1.00 35.23 O -HETATM 3152 O HOH A1586 21.460 -17.895 0.478 1.00 35.35 O -HETATM 3153 O HOH A1587 -10.768 18.685 24.434 1.00 35.46 O -HETATM 3154 O HOH A1588 -14.755 -13.159 22.015 1.00 35.58 O -HETATM 3155 O HOH A1589 -10.116 9.976 6.873 1.00 35.61 O -HETATM 3156 O HOH A1590 -11.092 21.336 20.680 1.00 35.61 O -HETATM 3157 O HOH A1591 20.691 19.438 45.857 1.00 35.64 O -HETATM 3158 O HOH A1592 0.330 7.091 2.644 1.00 35.74 O -HETATM 3159 O HOH A1593 -3.763 -1.832 41.155 1.00 35.76 O -HETATM 3160 O HOH A1594 -21.210 4.026 6.241 1.00 35.86 O -HETATM 3161 O HOH A1595 -7.901 20.192 18.202 1.00 35.89 O -HETATM 3162 O HOH A1596 -5.714 -1.308 37.633 1.00 35.91 O -HETATM 3163 O HOH A1597 18.986 5.407 49.120 1.00 35.93 O -HETATM 3164 O HOH A1598 18.985 21.387 41.747 1.00 36.03 O -HETATM 3165 O HOH A1599 13.792 -16.438 0.662 1.00 36.13 O -HETATM 3166 O HOH A1600 -0.532 -13.466 23.411 1.00 36.14 O -HETATM 3167 O HOH A1601 2.387 15.693 5.833 1.00 36.15 O -HETATM 3168 O HOH A1602 -9.578 14.171 31.869 1.00 36.28 O -HETATM 3169 O HOH A1603 18.730 -3.295 37.809 1.00 36.30 O -HETATM 3170 O HOH A1604 16.467 -26.268 8.355 1.00 36.33 O -HETATM 3171 O HOH A1605 25.484 -15.696 21.953 1.00 36.33 O -HETATM 3172 O HOH A1606 14.625 -15.443 33.531 1.00 36.35 O -HETATM 3173 O HOH A1607 -8.716 18.987 28.338 1.00 36.42 O -HETATM 3174 O HOH A1608 7.329 12.143 6.512 1.00 36.42 O -HETATM 3175 O HOH A1609 -2.580 16.475 38.602 1.00 36.44 O -HETATM 3176 O HOH A1610 6.325 4.227 37.407 1.00 36.48 O -HETATM 3177 O HOH A1611 -4.323 -8.920 11.614 1.00 36.52 O -HETATM 3178 O HOH A1612 -1.853 20.324 17.697 1.00 36.80 O -HETATM 3179 O HOH A1613 -1.894 18.076 20.008 1.00 36.94 O -HETATM 3180 O HOH A1614 25.858 4.966 46.542 1.00 37.03 O -HETATM 3181 O HOH A1615 -11.506 -3.181 33.760 1.00 37.05 O -HETATM 3182 O HOH A1616 -6.694 -10.550 12.486 1.00 37.10 O -HETATM 3183 O HOH A1617 15.933 -11.779 -0.761 1.00 37.24 O -HETATM 3184 O HOH A1618 2.882 -18.509 18.729 1.00 37.32 O -HETATM 3185 O HOH A1619 14.674 -17.401 25.778 1.00 37.40 O -HETATM 3186 O HOH A1620 7.225 -8.920 -0.097 1.00 37.50 O -HETATM 3187 O HOH A1621 21.008 1.011 43.798 1.00 37.60 O -HETATM 3188 O HOH A1622 -4.670 -8.548 6.127 1.00 37.62 O -HETATM 3189 O HOH A1623 6.833 -10.548 32.274 1.00 37.68 O -HETATM 3190 O HOH A1624 -5.967 19.654 16.708 1.00 37.72 O -HETATM 3191 O HOH A1625 -8.081 12.003 0.388 1.00 37.79 O -HETATM 3192 O HOH A1626 23.833 -21.816 10.661 1.00 37.84 O -HETATM 3193 O HOH A1627 17.590 -6.125 1.329 1.00 37.84 O -HETATM 3194 O HOH A1628 36.033 5.406 31.573 1.00 37.87 O -HETATM 3195 O HOH A1629 -1.953 18.890 43.138 1.00 37.91 O -HETATM 3196 O HOH A1630 20.930 -24.426 9.059 1.00 38.07 O -HETATM 3197 O HOH A1631 13.361 -5.692 0.548 1.00 38.10 O -HETATM 3198 O HOH A1632 -2.855 -11.309 7.903 1.00 38.19 O -HETATM 3199 O HOH A1633 36.174 -0.397 20.174 1.00 38.29 O -HETATM 3200 O HOH A1634 21.840 17.154 44.975 1.00 38.32 O -HETATM 3201 O HOH A1635 24.460 -16.897 30.837 1.00 38.33 O -HETATM 3202 O HOH A1636 36.921 11.227 26.674 1.00 38.37 O -HETATM 3203 O HOH A1637 -15.080 5.625 6.520 1.00 38.57 O -HETATM 3204 O HOH A1638 10.186 7.234 28.387 1.00 38.69 O -HETATM 3205 O HOH A1639 45.886 5.860 26.652 1.00 38.74 O -HETATM 3206 O HOH A1640 -5.867 -5.464 36.016 1.00 38.75 O -HETATM 3207 O HOH A1641 -4.653 7.416 -1.641 1.00 38.82 O -HETATM 3208 O HOH A1642 18.544 -26.212 12.803 1.00 38.87 O -HETATM 3209 O HOH A1643 -16.175 19.020 19.478 1.00 38.89 O -HETATM 3210 O HOH A1644 30.082 -13.577 17.405 1.00 38.94 O -HETATM 3211 O HOH A1645 5.980 13.004 36.054 1.00 38.95 O -HETATM 3212 O HOH A1646 15.467 16.744 38.483 1.00 39.14 O -HETATM 3213 O HOH A1647 -18.655 16.742 16.643 1.00 39.22 O -HETATM 3214 O HOH A1648 0.318 -18.032 19.697 1.00 39.43 O -HETATM 3215 O HOH A1649 18.789 18.151 26.445 1.00 39.45 O -HETATM 3216 O HOH A1650 -0.653 -16.863 21.814 1.00 39.53 O -HETATM 3217 O HOH A1651 -16.076 -0.814 27.938 1.00 39.55 O -HETATM 3218 O HOH A1652 -21.863 11.917 17.546 1.00 39.55 O -HETATM 3219 O HOH A1653 13.192 -21.614 19.461 1.00 39.60 O -HETATM 3220 O HOH A1654 -10.908 -2.741 36.657 1.00 39.64 O -HETATM 3221 O HOH A1655 16.866 -3.866 35.611 1.00 39.65 O -HETATM 3222 O HOH A1656 18.232 -21.033 4.483 1.00 39.65 O -HETATM 3223 O HOH A1657 24.606 -3.124 9.536 1.00 39.77 O -HETATM 3224 O HOH A1658 -14.508 7.673 28.260 1.00 39.78 O -HETATM 3225 O HOH A1659 33.611 -0.125 36.211 1.00 39.84 O -HETATM 3226 O HOH A1660 32.532 11.928 39.794 1.00 39.87 O -HETATM 3227 O HOH A1661 -12.756 3.974 32.827 1.00 40.00 O -HETATM 3228 O HOH A1662 26.828 15.411 28.312 1.00 40.05 O -HETATM 3229 O HOH A1663 31.682 -13.141 15.130 1.00 40.22 O -HETATM 3230 O HOH A1664 19.638 8.803 45.925 1.00 40.24 O -HETATM 3231 O HOH A1665 -6.095 -8.926 32.438 1.00 40.25 O -HETATM 3232 O HOH A1666 31.390 -14.878 11.377 1.00 40.27 O -HETATM 3233 O HOH A1667 -3.407 -2.488 21.582 1.00 40.46 O -HETATM 3234 O HOH A1668 27.665 -13.899 20.764 1.00 40.63 O -HETATM 3235 O HOH A1669 -21.428 11.405 14.990 1.00 40.63 O -HETATM 3236 O HOH A1670 38.395 5.135 29.784 1.00 40.65 O -HETATM 3237 O HOH A1671 13.887 -17.754 21.291 1.00 40.71 O -HETATM 3238 O HOH A1672 24.179 12.435 22.483 1.00 40.87 O -HETATM 3239 O HOH A1673 11.400 -2.242 34.875 1.00 40.89 O -HETATM 3240 O HOH A1674 10.449 -24.641 10.485 1.00 41.04 O -HETATM 3241 O HOH A1675 -8.864 -8.620 28.450 1.00 41.05 O -HETATM 3242 O HOH A1676 -29.122 -3.889 6.675 1.00 41.58 O -HETATM 3243 O HOH A1677 -10.599 19.103 16.634 1.00 41.68 O -HETATM 3244 O HOH A1678 29.726 -10.734 21.135 1.00 41.74 O -HETATM 3245 O HOH A1679 14.419 12.218 31.112 1.00 41.74 O -HETATM 3246 O HOH A1680 10.790 8.502 37.082 1.00 41.75 O -HETATM 3247 O HOH A1681 -15.879 9.052 8.539 1.00 41.85 O -HETATM 3248 O HOH A1682 0.689 -6.154 2.429 1.00 42.08 O -HETATM 3249 O HOH A1683 -7.410 1.207 49.030 1.00 42.14 O -HETATM 3250 O HOH A1684 -4.966 17.078 41.523 1.00 42.18 O -HETATM 3251 O HOH A1685 -1.797 -10.856 29.233 1.00 42.25 O -HETATM 3252 O HOH A1686 29.961 0.431 18.832 1.00 42.26 O -HETATM 3253 O HOH A1687 30.656 -10.730 30.032 1.00 42.28 O -HETATM 3254 O HOH A1688 2.742 -7.441 -0.016 1.00 42.29 O -HETATM 3255 O HOH A1689 -17.959 6.222 7.228 1.00 42.33 O -HETATM 3256 O HOH A1690 22.866 -19.685 2.500 1.00 42.43 O -HETATM 3257 O HOH A1691 19.646 -24.187 14.435 1.00 42.44 O -HETATM 3258 O HOH A1692 36.219 3.100 23.421 1.00 42.45 O -HETATM 3259 O HOH A1693 -18.431 11.637 11.787 1.00 42.46 O -HETATM 3260 O HOH A1694 20.111 -5.262 38.458 1.00 42.55 O -HETATM 3261 O HOH A1695 23.387 -24.572 6.581 1.00 42.61 O -HETATM 3262 O HOH A1696 -21.491 6.817 12.842 1.00 42.75 O -HETATM 3263 O HOH A1697 30.991 -1.288 13.538 1.00 42.76 O -HETATM 3264 O HOH A1698 14.195 10.971 9.890 1.00 42.93 O -HETATM 3265 O HOH A1699 25.288 -24.011 12.923 1.00 42.93 O -HETATM 3266 O HOH A1700 -27.888 -4.412 13.714 1.00 43.00 O -HETATM 3267 O HOH A1701 9.984 -12.808 28.935 1.00 43.06 O -HETATM 3268 O HOH A1702 29.598 10.705 44.402 1.00 43.10 O -HETATM 3269 O HOH A1703 17.060 16.849 40.764 1.00 43.17 O -HETATM 3270 O HOH A1704 17.768 -27.649 6.063 1.00 43.31 O -HETATM 3271 O HOH A1705 -0.075 16.772 23.188 1.00 43.40 O -HETATM 3272 O HOH A1706 0.486 -9.397 29.562 1.00 43.40 O -HETATM 3273 O HOH A1707 -6.808 -13.397 14.435 1.00 43.69 O -HETATM 3274 O HOH A1708 11.450 8.437 26.490 1.00 43.88 O -HETATM 3275 O HOH A1709 14.814 -25.231 12.242 1.00 44.00 O -HETATM 3276 O HOH A1710 10.227 -16.973 -0.948 1.00 44.26 O -HETATM 3277 O HOH A1711 27.162 -14.173 1.861 1.00 44.29 O -HETATM 3278 O HOH A1712 -14.235 20.071 14.344 1.00 44.54 O -HETATM 3279 O HOH A1713 6.542 7.200 38.650 1.00 44.78 O -HETATM 3280 O HOH A1714 34.986 12.980 29.965 1.00 44.89 O -HETATM 3281 O HOH A1715 -23.018 -4.115 18.207 1.00 45.33 O -HETATM 3282 O HOH A1716 -22.835 4.978 19.057 1.00 45.41 O -HETATM 3283 O HOH A1717 19.998 15.506 44.448 1.00 45.45 O -HETATM 3284 O HOH A1718 -20.501 13.446 13.640 1.00 45.46 O -HETATM 3285 O HOH A1719 15.265 -8.850 -0.377 1.00 45.52 O -HETATM 3286 O HOH A1720 29.744 -1.272 43.841 1.00 45.90 O -HETATM 3287 O HOH A1721 1.179 18.234 9.371 1.00 46.11 O -HETATM 3288 O HOH A1722 15.078 -18.936 23.544 1.00 46.24 O -HETATM 3289 O HOH A1723 16.706 12.072 26.029 1.00 46.25 O -HETATM 3290 O HOH A1724 -10.580 17.594 31.645 1.00 46.46 O -HETATM 3291 O HOH A1725 -19.566 -1.325 3.003 1.00 46.57 O -HETATM 3292 O HOH A1726 14.467 10.282 16.804 1.00 46.63 O -HETATM 3293 O HOH A1727 26.108 -1.945 44.510 1.00 46.69 O -HETATM 3294 O HOH A1728 3.136 16.980 7.805 1.00 46.87 O -HETATM 3295 O HOH A1729 16.973 -23.873 19.562 1.00 46.89 O -HETATM 3296 O HOH A1730 28.880 -19.361 15.787 1.00 47.00 O -HETATM 3297 O HOH A1731 5.962 -15.287 26.929 1.00 47.25 O -HETATM 3298 O HOH A1732 13.039 -13.824 -2.870 1.00 47.33 O -HETATM 3299 O HOH A1733 28.442 0.003 9.653 1.00 47.34 O -HETATM 3300 O HOH A1734 30.780 -19.636 2.086 1.00 47.34 O -HETATM 3301 O HOH A1735 -20.600 -5.004 20.383 1.00 47.38 O -HETATM 3302 O HOH A1736 24.522 -23.404 2.777 1.00 47.70 O -HETATM 3303 O HOH A1737 21.232 -4.611 41.313 1.00 47.76 O -HETATM 3304 O HOH A1738 6.775 12.803 42.051 1.00 47.86 O -HETATM 3305 O HOH A1739 -9.199 -0.541 37.285 1.00 47.90 O -HETATM 3306 O HOH A1740 -14.789 10.013 -0.838 1.00 47.97 O -HETATM 3307 O HOH A1741 42.421 1.900 23.812 1.00 48.05 O -HETATM 3308 O HOH A1742 34.780 12.286 24.355 1.00 48.20 O -HETATM 3309 O HOH A1743 20.927 -5.959 -1.283 1.00 48.37 O -HETATM 3310 O HOH A1744 34.585 -13.258 24.963 1.00 48.46 O -HETATM 3311 O HOH A1745 6.769 13.264 26.297 1.00 48.49 O -HETATM 3312 O HOH A1746 17.334 -16.255 -4.570 1.00 48.61 O -HETATM 3313 O HOH A1747 -17.542 -1.443 25.820 1.00 48.63 O -HETATM 3314 O HOH A1748 27.955 13.125 42.483 1.00 49.02 O -HETATM 3315 O HOH A1749 8.449 -15.514 25.959 1.00 49.15 O -HETATM 3316 O HOH A1750 29.983 -15.387 2.633 1.00 49.47 O -HETATM 3317 O HOH A1751 5.101 -22.565 4.768 1.00 49.66 O -HETATM 3318 O HOH A1752 8.394 5.884 34.398 1.00 49.67 O -HETATM 3319 O HOH A1753 16.288 11.130 23.598 1.00 49.73 O -HETATM 3320 O HOH A1754 24.561 -5.767 4.092 1.00 49.86 O -HETATM 3321 O HOH A1755 44.412 4.834 32.095 1.00 50.08 O -HETATM 3322 O HOH A1756 -5.534 1.481 37.579 1.00 50.10 O -HETATM 3323 O HOH A1757 -19.396 -6.697 18.435 1.00 50.34 O -HETATM 3324 O HOH A1758 -13.590 -11.128 9.126 1.00 50.48 O -HETATM 3325 O HOH A1759 26.507 -22.348 3.963 1.00 50.64 O -HETATM 3326 O HOH A1760 14.729 -15.484 37.880 1.00 51.40 O -HETATM 3327 O HOH A1761 11.619 14.324 37.759 1.00 51.40 O -HETATM 3328 O HOH A1762 21.390 5.457 23.836 1.00 51.57 O -HETATM 3329 O HOH A1763 -1.892 -6.487 2.520 1.00 51.99 O -HETATM 3330 O HOH A1764 -12.347 14.864 10.380 1.00 52.15 O -HETATM 3331 O HOH A1765 19.848 5.307 10.539 1.00 52.17 O -HETATM 3332 O HOH A1766 -19.159 5.404 5.027 1.00 52.50 O -HETATM 3333 O HOH A1767 11.518 -20.884 21.490 1.00 52.61 O -HETATM 3334 O HOH A1768 27.200 -11.635 2.180 1.00 53.95 O -HETATM 3335 O HOH A1769 15.619 -14.410 -5.477 1.00 54.35 O -HETATM 3336 O HOH A1770 -23.640 -8.690 16.016 1.00 54.36 O -HETATM 3337 O HOH A1771 8.865 8.626 6.925 1.00 54.54 O -HETATM 3338 O HOH A1772 1.285 -13.614 -2.506 1.00 54.61 O -HETATM 3339 O HOH A1773 4.709 17.000 27.251 1.00 54.81 O -HETATM 3340 O HOH A1774 2.425 14.868 27.413 1.00 54.81 O -HETATM 3341 O HOH A1775 31.398 -12.469 22.565 1.00 54.84 O -HETATM 3342 O HOH A1776 -15.968 6.415 3.445 1.00 55.08 O -HETATM 3343 O HOH A1777 -10.008 -7.748 32.191 1.00 55.78 O -HETATM 3344 O HOH A1778 -7.975 15.982 33.406 1.00 56.13 O -HETATM 3345 O HOH A1779 26.303 0.716 10.797 1.00 56.67 O -HETATM 3346 O HOH A1780 9.711 11.435 22.633 1.00 57.74 O -HETATM 3347 O HOH A1781 16.295 -0.348 2.511 1.00 58.06 O -HETATM 3348 O HOH A1782 -22.120 -8.430 18.721 1.00 58.33 O -HETATM 3349 O HOH A1783 -7.262 -3.507 38.308 1.00 58.91 O -HETATM 3350 O HOH A1784 23.057 -1.315 8.644 1.00 59.06 O -HETATM 3351 O HOH A1785 -15.452 19.346 16.808 1.00 60.05 O -CONECT 176 2889 -CONECT 498 505 -CONECT 505 498 506 -CONECT 506 505 507 509 -CONECT 507 506 508 516 -CONECT 508 507 -CONECT 509 506 510 -CONECT 510 509 511 512 -CONECT 511 510 513 -CONECT 512 510 514 -CONECT 513 511 514 -CONECT 514 512 513 515 -CONECT 515 514 -CONECT 516 507 -CONECT 1569 2886 -CONECT 1711 2888 -CONECT 1712 2888 -CONECT 1731 2888 -CONECT 2070 2890 -CONECT 2087 2890 -CONECT 2727 2887 -CONECT 2744 2887 -CONECT 2795 2887 -CONECT 2796 2887 -CONECT 2885 2892 2951 2953 2954 -CONECT 2885 2956 2958 2964 -CONECT 2886 1569 3070 3096 3117 -CONECT 2886 3230 -CONECT 2887 2727 2744 2795 2796 -CONECT 2887 3042 3086 3094 -CONECT 2888 1711 1712 1731 3052 -CONECT 2888 3310 3341 -CONECT 2889 176 3046 3311 3339 -CONECT 2889 3340 -CONECT 2890 2070 2087 3326 -CONECT 2891 2892 2893 2894 2898 -CONECT 2892 2885 2891 -CONECT 2893 2891 -CONECT 2894 2891 -CONECT 2895 2896 2897 2898 2899 -CONECT 2896 2895 -CONECT 2897 2895 -CONECT 2898 2891 2895 -CONECT 2899 2895 2900 -CONECT 2900 2899 2901 -CONECT 2901 2900 2902 2903 -CONECT 2902 2901 2907 -CONECT 2903 2901 2904 2905 -CONECT 2904 2903 -CONECT 2905 2903 2906 2907 -CONECT 2906 2905 -CONECT 2907 2902 2905 2908 -CONECT 2908 2907 2909 2917 -CONECT 2909 2908 2910 -CONECT 2910 2909 2911 -CONECT 2911 2910 2912 2917 -CONECT 2912 2911 2913 2914 -CONECT 2913 2912 -CONECT 2914 2912 2915 -CONECT 2915 2914 2916 -CONECT 2916 2915 2917 -CONECT 2917 2908 2911 2916 -CONECT 2918 2919 2923 2924 -CONECT 2919 2918 2920 -CONECT 2920 2919 2921 2927 -CONECT 2921 2920 2922 2928 -CONECT 2922 2921 2923 -CONECT 2923 2918 2922 -CONECT 2924 2918 2925 2926 -CONECT 2925 2924 -CONECT 2926 2924 -CONECT 2927 2920 2929 -CONECT 2928 2921 2934 2938 -CONECT 2929 2927 2930 2934 -CONECT 2930 2929 2931 -CONECT 2931 2930 2932 2935 -CONECT 2932 2931 2933 -CONECT 2933 2932 2934 -CONECT 2934 2928 2929 2933 -CONECT 2935 2931 2936 2937 -CONECT 2936 2935 -CONECT 2937 2935 -CONECT 2938 2928 2939 2943 -CONECT 2939 2938 2940 2944 -CONECT 2940 2939 2941 -CONECT 2941 2940 2942 2947 -CONECT 2942 2941 2943 -CONECT 2943 2938 2942 -CONECT 2944 2939 2945 2946 -CONECT 2945 2944 -CONECT 2946 2944 -CONECT 2947 2941 -CONECT 2951 2885 -CONECT 2953 2885 -CONECT 2954 2885 -CONECT 2956 2885 -CONECT 2958 2885 -CONECT 2964 2885 -CONECT 3042 2887 -CONECT 3046 2889 -CONECT 3052 2888 -CONECT 3070 2886 -CONECT 3086 2887 -CONECT 3094 2887 -CONECT 3096 2886 -CONECT 3117 2886 -CONECT 3230 2886 -CONECT 3310 2888 -CONECT 3311 2889 -CONECT 3326 2890 -CONECT 3339 2889 -CONECT 3340 2889 -CONECT 3341 2888 -MASTER 394 0 9 25 21 0 21 6 3345 1 113 29 -END diff --git a/cif_dim_264.csv b/cif_dim_264.csv new file mode 100644 index 0000000..0807385 --- /dev/null +++ b/cif_dim_264.csv @@ -0,0 +1,265 @@ +file,n_AC,n_AC_inGrid,n_cubes,max_dim +PDB\10mh.cif,327,327,5415,3.0 +PDB\121p.cif,166,165,2028,3.0 +PDB\132d.cif,0,Error +PDB\165d.cif,0,Error +PDB\1914.cif,171,171,3360,2.8 +PDB\1a0q.cif,416,416,6656,2.9 +PDB\1a13.cif, +PDB\1a1k.cif,85,85,1848,3.3 +PDB\1a1m.cif,386,386,7040,3.1 +PDB\1a1u.cif,58,58,600,2.9 +PDB\1a22.cif,372,372,8464,3.0 +PDB\1a28.cif,500,500,15456,2.9 +PDB\1a2f.cif,291,291,3024,3.0 +PDB\1a31.cif,457,457,13041,2.7 +PDB\1a3a.cif,576,576,16016,2.8 +PDB\1a3k.cif,137,137,1716,2.9 +PDB\1a4j.cif,868,868,27300,2.7 +PDB\1a4y.cif,1166,1166,22176,2.7 +PDB\1a64.cif,188,188,4608,2.9 +PDB\1a6a.cif,378,378,8602,2.9 +PDB\1a6b.cif, +PDB\1a6u.cif,228,228,2340,3.3 +PDB\1a6z.cif,742,742,21000,2.7 +PDB\1a7c.cif,374,374,6048,2.9 +PDB\1a7f.cif, +PDB\1a7j.cif,279,279,5130,3.0 +PDB\1a81.cif,1518,1518,45288,2.7 +PDB\1a87.cif,297,297,5670,3.0 +PDB\1a88.cif,825,825,15548,2.8 +PDB\1a8e.cif,329,329,5040,2.9 +PDB\1a8j.cif,430,430,9639,2.7 +PDB\1a8q.cif,274,274,3315,2.8 +PDB\1a8y.cif,338,338,6859,3.1 +PDB\1a93.cif,64,64,896,3.0 +PDB\1a9u.cif,351,351,5832,3.0 +PDB\1aal.cif,115,115,1920,2.9 +PDB\1aap.cif,112,112,720,3.1 +PDB\1ab1.cif,49,49,1143528,0.2 +PDB\1ab2.cif, +PDB\1ab9.cif,246,246,13800,1.7 +PDB\1ad5.cif,874,874,24192,2.7 +PDB\1adn.cif,1288,1288,261854536,RUNTIME 60s+ +PDB\1adq.cif,644,644,24640,2.8 +PDB\1adx.cif, +PDB\1adz.cif,2130,2130,67800000,RUNTIME 60s+ +PDB\1aep.cif,153,153,1536,3.1 +PDB\1afo.cif,1600,1600,127103526,RUNTIME 60s+ +PDB\1ag0.cif,256,256,4940,2.9 +PDB\1ag1.cif,498,498,9120,3.0 +PDB\1agb.cif,383,383,9900,2.7 +PDB\1agi.cif,125,125,1716,2.9 +PDB\1agj.cif,484,484,9860,2.9 +PDB\1agw.cif,550,550,14400,2.6 +PDB\1ah1.cif,2580,2580,86971423,RUNTIME 60s+ +PDB\1ahw.cif,1256,1256,98943,2.6 +PDB\1ai9.cif,384,384,10920,2.8 +PDB\1akn.cif,547,547,9702,2.8 +PDB\1alu.cif,157,157,2002,3.2 +PDB\1aly.cif,146,146,1440,3.0 +PDB\1am9.cif,313,313,39680,2.9 +PDB\1anp.cif,308,308,854385,0.2 +PDB\1ao3.cif,374,374,5586,2.8 +PDB\1ao6.cif,1156,1156,23625,2.9 +PDB\1aox.cif,402,402,9828,2.8 +PDB\1apf.cif, +PDB\1apy.cif,604,604,10032,2.8 +PDB\1aqc.cif,256,256,8360,2.7 +PDB\1aqd.cif,1514,1514,46060,2.7 +PDB\1aqk.cif,440,440,12312,2.7 +PDB\1as4.cif,369,369,6800,2.9 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+PDB\1es7.cif,377,377,8100,2.9 +PDB\1ext.cif,318,318,15341,2.8 +PDB\1exu.cif,355,355,8800,2.8 +PDB\1exz.cif,528,528,12648,2.7 +PDB\1f11.cif,868,868,37632,2.5 +PDB\1f16.cif,3840,3840,143290212,RUNTIME 60s+ +PDB\1f42.cif,297,297,7072,2.9 +PDB\1f6a.cif,606,606,21689,2.6 +PDB\1f6u.cif, +PDB\1f7b.cif,580,580,258960,0.9 +PDB\1f9c.cif,720,720,15225,2.7 +PDB\1f9e.cif,1470,1470,48048,2.7 +PDB\1fa3.cif, +PDB\1fb0.cif,209,209,3094,2.9 +PDB\1fb1.cif,980,980,34720,2.8 +PDB\1fcx.cif,235,235,3192,2.9 +PDB\1ffk.cif,3656,3656,355680,2.7 +PDB\1fg9.cif,862,862,48576,2.8 +PDB\1fj1.cif,1354,1354,48048,2.8 +PDB\1fkc.cif,107,107,1190,3.0 +PDB\1fkn.cif,792,792,25088,2.8 +PDB\1fl7.cif,387,387,7020,2.9 +PDB\1fnt.cif,9110,9110,402948,2.4 +PDB\1foc.cif,256,256,4624,2.9 +PDB\1fpo.cif,499,499,15525,3.0 +PDB\1fv1.cif,775,775,22984,2.8 +PDB\1fvr.cif,599,599,11191,3.0 +PDB\1fxl.cif,167,167,2304,3.2 +PDB\1fxw.cif,423,423,5760,3.2 +PDB\1fyt.cif,810,810,32448,2.8 +PDB\1fza.cif,1414,1414,78750,2.8 +PDB\1fzj.cif,390,390,179539360,RUNTIME 60s+ +PDB\1g0y.cif,331,331,6300,2.9 +PDB\1g1s.cif,337,337,10368,2.9 +PDB\1g2l.cif,290,290,5400,2.7 +PDB\1g3j.cif,1036,1036,50688,2.7 +PDB\1g4f.cif, +PDB\1g61.cif,450,450,5760,3.1 +PDB\1g8q.cif,176,176,2475,2.9 +PDB\1g9o.cif,91,91,1200,3.1 +PDB\1ga4.cif,369,369,5202,2.8 +PDB\1gag.cif,313,313,7854,2.7 +PDB\1gbn.cif,1206,1206,32375,2.7 +PDB\1gd5.cif, +PDB\1ghq.cif,570,570,15080,2.9 +PDB\1gig.cif,431,431,8208,2.7 +PDB\1gk4.cif,450,450,17280,2.9 +PDB\1gk5.cif,490,490,31507392,0.1 +PDB\1gkb.cif,474,474,7084,3.1 +PDB\1gkc.cif,315,315,6375,2.8 +PDB\1gq4.cif,90,90,880,3.1 +PDB\1gq5.cif,91,91,800,3.3 +PDB\1gtw.cif,132,132,4200,3.1 +PDB\1gua.cif,243,243,4800,2.7 +PDB\1gwb.cif,541,541,12936,2.8 +PDB\1gyj.cif,152,152,2028,3.1 +PDB\1h2i.cif,4092,4092,141960,2.7 +PDB\1h30.cif,391,391,10773,2.8 +PDB\1h3i.cif,586,586,14326,2.8 +PDB\1h4l.cif,850,850,14250,3.0 +PDB\1h4o.cif,1288,1288,42000,2.7 +PDB\1h6t.cif,291,291,5850,3.0 +PDB\1h7n.cif,340,340,7200,2.8 +PDB\1ha1.cif,167,167,4158,2.7 +PDB\1haq.cif,4852,4852,13093605,RUNTIME 60s+ +PDB\1hbx.cif,569,569,33495,2.8 diff --git a/get_alpha_carbon.py b/get_alpha_carbon.py index 4d691cf..9c9f2a6 100644 --- a/get_alpha_carbon.py +++ b/get_alpha_carbon.py @@ -1,5 +1,5 @@ -import sys -import pandas as pd +from operator import attrgetter +from itertools import chain class AC(object): def __init__(self, position, aa, x=0, y=0, z=0, b=0): @@ -8,61 +8,64 @@ def __init__(self, position, aa, x=0, y=0, z=0, b=0): self.x = float(x) self.y = float(y) self.z = float(z) - self.b = float(b) def __str__(self): - return f"{self.position}:{self.aa}\t({self.x},{self.y},{self.z})\tb={self.b}" + return f"{self.position}:{self.aa}\t({self.x},{self.y},{self.z})" +def get_alpha_carbon_pdb(pdb_fn): + """Input is pdb filename returns list of AC objects""" + pd_lines = [l.split() for l in open(pdb_fn, "r").read().splitlines()if len(l.split()) > 3] + pdb_alpha = [AC(l[5],l[3],l[6],l[7],l[8]) for l in pd_lines if l[0] == 'ATOM' and l[2] == 'CA'] + return pdb_alpha -def get_alpha_carbon(pdb_fn, top_b_factor): - """Input is pdb filename and B-factor cut off returns list of AC objects that have a B-factor above the cutoff normalized value.""" - pd_lines = [l.split() for l in open(pdb_fn, "r").read().splitlines()] - pdb_alpha = [AC(l[5],l[3],l[6],l[7],l[8],l[-2]) for l in pd_lines if l[0] == 'ATOM' and l[2] == 'CA'] - # print(len(pdb_alpha)) - # for ac in pdb_alpha: - # print(ac) - b_max = max([ac.b for ac in pdb_alpha]) - b_cutoff = bmax - bmax*top_b_factor - - return [a for a in pdb_alpha if a.b >= b_cutoff] - -def build_grid_1D(alpha_list, block, grid_rad): - """prototype for build grid 3d""" - block_rad = block/2 - grid_size = (grid_rad*2)+1 - for target in alpha_list: - print(f"Target = {target}") - center = target.x - adj_acs = [AC(a.position,a.aa, (grid_rad + ((a.x - center)+block_rad)//block)) for a in alpha_list] - # for a in adj_acs: - # if a.x == grid_rad +1: - # print(a) - map = [] - for i in range(grid_size): - a_here = 'o' - for a in adj_acs: - if i == a.x: - a_here = (a.aa) - map.append(a_here) - - print(map) - - - -# my_pdb = sys.argv[1] -##for no cut off make b_factor cutoff 'inf' -# my_bf = float(sys.argv[2]) +def get_alpha_carbon_cif(cif_fn): + """Input is cif filename returns list of AC objects""" + pd_lines = [l.split() for l in open(cif_fn, "r").read().splitlines()if len(l.split()) > 3] + pdb_alpha = [AC(l[8],l[5],l[10],l[11],l[12]) for l in pd_lines if l[0] == 'ATOM' and l[3] == 'CA'] + return pdb_alpha + +def get_min_max(ac_list, dim): + return getattr(min(ac_list, key = attrgetter(dim)),dim), getattr(max(ac_list, key = attrgetter(dim)),dim) -# my_acs = get_alpha_carbon(my_pdb, my_bf) -# for a in my_acs: - # print(a) +def split_dim(ac_list, d, dim, min, max): + split_list = [] + back_edge = min + s = 0 + total_ac = 0 + while back_edge < max: + front_edge = back_edge + d + n_ac = 0 + slice_list = [] + for ac in ac_list: + p = getattr(ac, dim) + if p >= back_edge and p < front_edge: + n_ac += 1 + slice_list.append(ac) + total_ac += n_ac + #print(f"{s}\t{back_edge:}\t{front_edge}\t{n_ac}\t{len(slice_list)}\t{len(ac_list)}") + back_edge = front_edge + split_list.append(slice_list) + s += 1 + #print(f"ACS {len(ac_list)} split {dim} = {[len(slice) for slice in split_list]}") + return split_list + +def draw_grid(ac_list, d = 3): + min_x, max_x = get_min_max(ac_list, 'x') + min_y, max_y = get_min_max(ac_list, 'y') + min_z, max_z = get_min_max(ac_list, 'z') + x_split = split_dim(ac_list, d, 'x', min_x, max_x) + xy_split = [] + for x_slice in x_split: + xy_split.append(split_dim(x_slice,d,'y',min_y,max_y)) + xyz_split = [] + for xy_slice in xy_split: + for y_slice in xy_slice: + xyz_split.append(split_dim(y_slice, d, 'z', min_z, max_z)) -test_aa = ['A', 'R', 'N', 'D', 'C', 'E', 'Q'] -test_alphas_1D = [] -for i,aa in enumerate(test_aa): - test_alphas_1D.append(AC(i,aa,i)) + return xyz_split -for a in test_alphas_1D: - print(a) +def grid_info(grid): + grid_list = list(chain.from_iterable(grid)) + n_aa = [len(cube) for cube in grid_list] + return len(grid_list), max(n_aa), sum(n_aa) -build_grid_1D(test_alphas_1D,1,2) diff --git a/get_dims.py b/get_dims.py new file mode 100644 index 0000000..3189091 --- /dev/null +++ b/get_dims.py @@ -0,0 +1,36 @@ +from get_alpha_carbon import get_alpha_carbon_cif, draw_grid, grid_info +import glob +from tqdm import tqdm +import time +""" +Test draw grid over all of the input files, get a maximum cube dimension for each file +""" + +cifs = glob.glob("PDB/*.cif") +dims = [] +out = open("all_cif_dim.csv", "w") +out.write("file,n_AC,n_AC_inGrid,n_cubes,max_dim\n") +for c in tqdm(cifs): + result = "" + timeout = time.time() + 60 + try: + acs = get_alpha_carbon_cif(c) + for i in range(40,0,-1): + dim = i/10 + actin_grid = draw_grid(acs,dim) + n_cubes, max_aa, n_ac_inGrid = grid_info(actin_grid) + if max_aa == 1: + dims.append(dim) + result = f"{len(acs)},{n_ac_inGrid},{n_cubes},{dim}" + break + if time.time() > timeout: + result = f"{len(acs)},{n_ac_inGrid},{n_cubes},RUNTIME 60s+" + break + + except: + result = f"{len(acs)},Error" + + out.write(f"{c},{result}\n") + +print(f"max dim = {max(dims)} min dim = {min(dims)}") +out.close() \ No newline at end of file diff --git a/tf_input_maker.py b/tf_input_maker.py new file mode 100644 index 0000000..d720d1a --- /dev/null +++ b/tf_input_maker.py @@ -0,0 +1,15 @@ +# -*- coding: utf-8 -*- +""" +Created on Fri Apr 19 10:48:12 2019 + +@author: akarami +""" + +def tf_input_make(cubes,tags): + tf_in = [] + for cube in range(len(cubes)): + if cube+1 in tags: + tf_in.append(cube,1) + else: + tf_in.append(cube,0) + return tf_in