USER MOD reduce.3.24.130724 H: found=0, std=0, add=1181, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 28-MAR-09 3A1B TITLE CRYSTAL STRUCTURE OF THE DNMT3A ADD DOMAIN IN COMPLEX WITH HISTONE H3 COMPND MOL_ID: 1; COMPND 2 MOLECULE: DNA (CYTOSINE-5)-METHYLTRANSFERASE 3A, HISTONE H3.1; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: ADD(ATRX-DNMT3-DNMT3L) DOMAIN(RESIDUES 476-614), UNP COMPND 5 RESIDUES 2-21(HISTONE H3.1); COMPND 6 SYNONYM: DNMT3A, DNA METHYLTRANSFERASE HSAIIIA, DNA MTASE HSAIIIA, COMPND 7 M.HSAIIIA, H3/A, H3/B, H3/C, H3/D, H3/F, H3/H, H3/I, H3/J, H3/K, COMPND 8 H3/L; COMPND 9 EC: 2.1.1.37; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX KEYWDS ZINC-FINGER, HISTONE BINDING, CHROMOSOMAL PROTEIN, DNA DAMAGE, DNA KEYWDS 2 REPAIR, DNA-BINDING, METHYLATION, NUCLEOSOME CORE, NUCLEUS, KEYWDS 3 PHOSPHOPROTEIN, ALTERNATIVE PROMOTER USAGE, METAL-BINDING, KEYWDS 4 METHYLTRANSFERASE, S-ADENOSYL-L-METHIONINE, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR J.OTANI,K.ARITA,M.ARIYOSHI,M.SHIRAKAWA REVDAT 2 13-JUL-11 3A1B 1 VERSN REVDAT 1 10-NOV-09 3A1B 0 JRNL AUTH J.OTANI,T.NANKUMO,K.ARITA,S.INAMOTO,M.ARIYOSHI,M.SHIRAKAWA JRNL TITL STRUCTURAL BASIS FOR RECOGNITION OF H3K4 METHYLATION STATUS JRNL TITL 2 BY THE DNA METHYLTRANSFERASE 3A ATRX-DNMT3-DNMT3L DOMAIN JRNL REF EMBO REP. V. 10 1235 2009 JRNL REFN ISSN 1469-221X JRNL PMID 19834512 JRNL DOI 10.1038/EMBOR.2009.218 REMARK 2 REMARK 2 RESOLUTION. 2.29 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.2.0019 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.29 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 32.72 REMARK 3 DATA CUTOFF (SIGMA(F)) : NULL REMARK 3 COMPLETENESS FOR RANGE (%) : 98.1 REMARK 3 NUMBER OF REFLECTIONS : 11534 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING + TEST SET) : 0.193 REMARK 3 R VALUE (WORKING SET) : 0.192 REMARK 3 FREE R VALUE : 0.224 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 REMARK 3 FREE R VALUE TEST SET COUNT : 576 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 20 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.29 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.35 REMARK 3 REFLECTION IN BIN (WORKING SET) : 695 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 82.90 REMARK 3 BIN R VALUE (WORKING SET) : 0.2320 REMARK 3 BIN FREE R VALUE SET COUNT : 32 REMARK 3 BIN FREE R VALUE : 0.2630 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1173 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 31 REMARK 3 SOLVENT ATOMS : 38 REMARK 3 REMARK 3 B VALUES. REMARK 3 B VALUE TYPE : LIKELY RESIDUAL REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 43.69 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 2.16000 REMARK 3 B22 (A**2) : 2.16000 REMARK 3 B33 (A**2) : -4.33000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.196 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.173 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.111 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 8.047 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.958 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.938 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1219 ; 0.013 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 1627 ; 1.501 ; 1.961 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 150 ; 4.854 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 61 ;33.229 ;23.443 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 212 ;16.946 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;17.577 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 168 ; 0.101 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 927 ; 0.005 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 555 ; 0.207 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 815 ; 0.304 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 62 ; 0.145 ; 0.200 REMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW REFINED ATOMS (A): 34 ; 0.205 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 8 ; 0.173 ; 0.200 REMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): 761 ; 0.797 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1177 ; 1.277 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 523 ; 2.282 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 448 ; 3.570 ; 4.500 REMARK 3 REMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT REMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 REMARK 3 NCS RESTRAINTS STATISTICS REMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 3 REMARK 3 REMARK 3 TLS GROUP : 1 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 456 A 472 REMARK 3 ORIGIN FOR THE GROUP (A): 34.0369 -7.2752 11.6380 REMARK 3 T TENSOR REMARK 3 T11: 0.2326 T22: 0.3778 REMARK 3 T33: 0.0742 T12: 0.1587 REMARK 3 T13: 0.2666 T23: -0.0053 REMARK 3 L TENSOR REMARK 3 L11: 14.2058 L22: 15.1387 REMARK 3 L33: 5.0194 L12: -3.4410 REMARK 3 L13: -1.0867 L23: -8.1400 REMARK 3 S TENSOR REMARK 3 S11: 0.7017 S12: 0.1273 S13: -1.8014 REMARK 3 S21: -0.6157 S22: -1.0545 S23: -0.9225 REMARK 3 S31: 1.3654 S32: 0.5934 S33: 0.3528 REMARK 3 REMARK 3 TLS GROUP : 2 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 473 A 543 REMARK 3 ORIGIN FOR THE GROUP (A): 21.0966 0.9313 13.6057 REMARK 3 T TENSOR REMARK 3 T11: 0.0650 T22: 0.1246 REMARK 3 T33: 0.0677 T12: 0.0302 REMARK 3 T13: 0.0089 T23: 0.0220 REMARK 3 L TENSOR REMARK 3 L11: 1.9657 L22: 5.4161 REMARK 3 L33: 7.3528 L12: -1.7626 REMARK 3 L13: 2.5345 L23: -4.7795 REMARK 3 S TENSOR REMARK 3 S11: -0.0322 S12: -0.2025 S13: -0.1149 REMARK 3 S21: -0.1092 S22: 0.0666 S23: 0.0596 REMARK 3 S31: 0.2174 S32: -0.3244 S33: -0.0344 REMARK 3 REMARK 3 TLS GROUP : 3 REMARK 3 NUMBER OF COMPONENTS GROUP : 1 REMARK 3 COMPONENTS C SSSEQI TO C SSSEQI REMARK 3 RESIDUE RANGE : A 544 A 610 REMARK 3 ORIGIN FOR THE GROUP (A): 31.3545 5.3412 17.7805 REMARK 3 T TENSOR REMARK 3 T11: 0.1528 T22: 0.2145 REMARK 3 T33: 0.1827 T12: 0.0030 REMARK 3 T13: -0.1075 T23: 0.0970 REMARK 3 L TENSOR REMARK 3 L11: 4.2940 L22: 7.3807 REMARK 3 L33: 10.8445 L12: -0.4647 REMARK 3 L13: -1.5597 L23: -2.5319 REMARK 3 S TENSOR REMARK 3 S11: -0.2171 S12: -0.2279 S13: 0.3439 REMARK 3 S21: 0.2288 S22: -0.1787 S23: -0.8617 REMARK 3 S31: -0.6085 S32: 1.0876 S33: 0.3957 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN ADDED IN THE RIDING REMARK 3 POSITIONS REMARK 4 REMARK 4 3A1B COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 01-APR-09. REMARK 100 THE RCSB ID CODE IS RCSB028686. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 10-JUN-08 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 5.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : PHOTON FACTORY REMARK 200 BEAMLINE : BL-5A REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.0 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 12159 REMARK 200 RESOLUTION RANGE HIGH (A) : 2.292 REMARK 200 RESOLUTION RANGE LOW (A) : 32.721 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 1.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.3 REMARK 200 DATA REDUNDANCY : 24.100 REMARK 200 R MERGE (I) : 0.08200 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 15.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.29 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.38 REMARK 200 COMPLETENESS FOR SHELL (%) : 86.9 REMARK 200 DATA REDUNDANCY IN SHELL : 15.50 REMARK 200 R MERGE FOR SHELL (I) : 0.42800 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: MOLREP REMARK 200 STARTING MODEL: PDB ENTRY 3A1A REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 65.58 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.57 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 10% PEG 2000 MONOMETHYL ETHER, 0.1M REMARK 280 BIS-TRIS, PH 5.5, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 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 54.97500 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 34.27350 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 34.27350 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 27.48750 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 34.27350 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 34.27350 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 82.46250 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 34.27350 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 34.27350 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 27.48750 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 34.27350 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 34.27350 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 82.46250 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 54.97500 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 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC REMARK 350 SOFTWARE USED: PISA 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 SER A 465 REMARK 465 THR A 466 REMARK 465 GLY A 467 REMARK 465 GLY A 468 REMARK 465 LYS A 469 REMARK 465 ALA A 470 REMARK 465 PRO A 471 REMARK 465 ASN A 611 REMARK 465 ASN A 612 REMARK 465 HIS A 613 REMARK 465 ASP A 614 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 ARG A 463 CG CD NE CZ NH1 NH2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS 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,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) 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 RES CSSEQI ATM2 DEVIATION REMARK 500 ARG A 463 CB ARG A 463 CG -0.223 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 LEU A 504 CA - CB - CG ANGL. DEV. = 15.4 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 ZN A 1 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 494 SG REMARK 620 2 CYS A 497 SG 113.8 REMARK 620 3 CYS A 514 SG 113.1 112.2 REMARK 620 4 CYS A 517 SG 107.3 106.7 102.8 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 2 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 537 SG REMARK 620 2 CYS A 540 SG 106.8 REMARK 620 3 CYS A 559 SG 111.4 109.9 REMARK 620 4 CYS A 562 SG 114.1 108.6 105.9 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 3 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 549 SG REMARK 620 2 CYS A 554 SG 109.8 REMARK 620 3 CYS A 583 SG 112.4 107.5 REMARK 620 4 CYS A 586 SG 107.3 100.7 118.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 2 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 3 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 615 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 616 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 617 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC7 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 4 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC8 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 5 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC9 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 6 REMARK 800 REMARK 800 SITE_IDENTIFIER: BC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE EDO A 7 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 3A1A RELATED DB: PDB REMARK 900 THE SAME PROTEIN IN THE FREE STATE DBREF 3A1B A 456 475 UNP P68431 H31_HUMAN 2 21 DBREF 3A1B A 476 614 UNP Q9Y6K1 DNM3A_HUMAN 476 614 SEQRES 1 A 159 ALA ARG THR LYS GLN THR ALA ARG LYS SER THR GLY GLY SEQRES 2 A 159 LYS ALA PRO ARG LYS GLN LEU ARG GLU ARG LEU VAL TYR SEQRES 3 A 159 GLU VAL ARG GLN LYS CYS ARG ASN ILE GLU ASP ILE CYS SEQRES 4 A 159 ILE SER CYS GLY SER LEU ASN VAL THR LEU GLU HIS PRO SEQRES 5 A 159 LEU PHE VAL GLY GLY MET CYS GLN ASN CYS LYS ASN CYS SEQRES 6 A 159 PHE LEU GLU CYS ALA TYR GLN TYR ASP ASP ASP GLY TYR SEQRES 7 A 159 GLN SER TYR CYS THR ILE CYS CYS GLY GLY ARG GLU VAL SEQRES 8 A 159 LEU MET CYS GLY ASN ASN ASN CYS CYS ARG CYS PHE CYS SEQRES 9 A 159 VAL GLU CYS VAL ASP LEU LEU VAL GLY PRO GLY ALA ALA SEQRES 10 A 159 GLN ALA ALA ILE LYS GLU ASP PRO TRP ASN CYS TYR MET SEQRES 11 A 159 CYS GLY HIS LYS GLY THR TYR GLY LEU LEU ARG ARG ARG SEQRES 12 A 159 GLU ASP TRP PRO SER ARG LEU GLN MET PHE PHE ALA ASN SEQRES 13 A 159 ASN HIS ASP HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET EDO A 615 4 HET EDO A 616 4 HET EDO A 617 4 HET EDO A 4 4 HET EDO A 5 4 HET EDO A 6 4 HET EDO A 7 4 HETNAM ZN ZINC ION HETNAM EDO 1,2-ETHANEDIOL HETSYN EDO ETHYLENE GLYCOL FORMUL 2 ZN 3(ZN 2+) FORMUL 5 EDO 7(C2 H6 O2) FORMUL 12 HOH *38(H2 O) HELIX 1 1 ARG A 472 GLN A 485 1 14 HELIX 2 2 ASN A 489 ILE A 493 5 5 HELIX 3 3 CYS A 514 ALA A 525 1 12 HELIX 4 4 VAL A 560 VAL A 567 1 8 HELIX 5 5 GLY A 570 LYS A 577 1 8 HELIX 6 6 ASP A 600 ALA A 610 1 11 SHEET 1 A 3 ARG A 457 GLN A 460 0 SHEET 2 A 3 GLU A 545 MET A 548 -1 O MET A 548 N ARG A 457 SHEET 3 A 3 CYS A 557 CYS A 559 -1 O PHE A 558 N LEU A 547 SHEET 1 B 2 LEU A 504 GLU A 505 0 SHEET 2 B 2 GLY A 512 MET A 513 -1 O MET A 513 N LEU A 504 SHEET 1 C 2 THR A 591 TYR A 592 0 SHEET 2 C 2 LEU A 595 ARG A 596 -1 O LEU A 595 N TYR A 592 LINK SG CYS A 494 ZN ZN A 1 1555 1555 2.27 LINK SG CYS A 497 ZN ZN A 1 1555 1555 2.30 LINK SG CYS A 514 ZN ZN A 1 1555 1555 2.31 LINK SG CYS A 517 ZN ZN A 1 1555 1555 2.38 LINK SG CYS A 537 ZN ZN A 2 1555 1555 2.40 LINK SG CYS A 540 ZN ZN A 2 1555 1555 2.34 LINK SG CYS A 549 ZN ZN A 3 1555 1555 2.15 LINK SG CYS A 554 ZN ZN A 3 1555 1555 2.35 LINK SG CYS A 559 ZN ZN A 2 1555 1555 2.34 LINK SG CYS A 562 ZN ZN A 2 1555 1555 2.37 LINK SG CYS A 583 ZN ZN A 3 1555 1555 2.38 LINK SG CYS A 586 ZN ZN A 3 1555 1555 2.21 CISPEP 1 ASP A 579 PRO A 580 0 -2.35 SITE *** AC1 4 CYS A 494 CYS A 497 CYS A 514 CYS A 517 SITE *** AC2 4 CYS A 537 CYS A 540 CYS A 559 CYS A 562 SITE *** AC3 4 CYS A 549 CYS A 554 CYS A 583 CYS A 586 SITE *** AC4 8 EDO A 7 HOH A 9 PHE A 521 CYS A 524 SITE *** AC4 8 GLN A 534 TYR A 536 CYS A 537 ARG A 556 SITE *** AC5 6 GLU A 491 LEU A 504 GLU A 505 GLY A 511 SITE *** AC5 6 GLY A 512 ARG A 598 SITE *** AC6 6 GLU A 477 ALA A 525 TYR A 526 TYR A 528 SITE *** AC6 6 ASP A 564 PRO A 569 SITE *** AC7 3 TRP A 581 ASN A 582 TYR A 592 SITE *** AC8 6 HOH A 21 ARG A 478 TYR A 481 GLU A 523 SITE *** AC8 6 TYR A 526 GLN A 527 SITE *** AC9 6 GLY A 543 ARG A 544 GLU A 545 CYS A 559 SITE *** AC9 6 VAL A 560 GLU A 561 SITE *** BC1 7 PHE A 521 ALA A 525 GLN A 534 ARG A 556 SITE *** BC1 7 PRO A 569 LEU A 605 EDO A 615 CRYST1 68.547 68.547 109.950 90.00 90.00 90.00 P 41 21 2 8 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 0.014589 0.000000 0.000000 0.00000 SCALE2 0.000000 0.014589 0.000000 0.00000 SCALE3 0.000000 0.000000 0.009095 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 551 ASN : amide:sc= 0.977 K(o=0.97,f=-0.54) USER MOD Set 1.2: A 553 ASN : amide:sc= -0.0107 X(o=0.97,f=0.91) USER MOD Set 2.1: A 524 CYS SG : rot -39:sc= -0.299 USER MOD Set 2.2: A 527 GLN : amide:sc= 0.405 K(o=0.11,f=-0.95) USER MOD Set 3.1: A 515 GLN : amide:sc= -0.193 X(o=-0.22,f=-0.22) USER MOD Set 3.2: A 519 ASN :FLIP amide:sc= -0.0225 F(o=-1.7!,f=-0.22) USER MOD Set 4.1: A 496 SER OG B: rot -66:sc= 0.965 USER MOD Set 4.2: A 513 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 7 EDO O2 : rot -15:sc= 1.12 USER MOD Set 5.2: A 528 TYR OH : rot 180:sc= 0 USER MOD Set 5.3: A 534 GLN : amide:sc= -0.4 K(o=0.77,f=-1.4!) USER MOD Set 5.4: A 615 EDO O1 : rot 100:sc= 0.0551 USER MOD Single : A 4 EDO O1 : rot 180:sc= 0.12 USER MOD Single : A 4 EDO O2 : rot -128:sc= 1.4 USER MOD Single : A 5 EDO O1 : rot 6:sc= 0.46 USER MOD Single : A 5 EDO O2 : rot 180:sc= 0.284 USER MOD Single : A 6 EDO O1 : rot -100:sc= -0.0571 USER MOD Single : A 6 EDO O2 : rot 180:sc= 0 USER MOD Single : A 7 EDO O1 : rot -126:sc= -0.626 USER MOD Single : A 458 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 LYS NZ :NH3+ 134:sc= 1.56 (180deg=0.592) USER MOD Single : A 460 GLN : amide:sc= 0.0708 X(o=0.071,f=-0.052) USER MOD Single : A 461 THR OG1 : rot -164:sc= 1.32 USER MOD Single : A 464 LYS NZ :NH3+ -165:sc= -0.519 (180deg=-0.534) USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 474 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 481 TYR OH : rot 180:sc= 0 USER MOD Single : A 485 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.35) USER MOD Single : A 486 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 487 CYS SG : rot 180:sc= 0 USER MOD Single : A 489 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 496 SER OG A: rot -115:sc= 1.16 USER MOD Single : A 499 SER OG : rot -123:sc= 0.46 USER MOD Single : A 501 ASN : amide:sc= -0.0102 K(o=-0.01,f=-0.68) USER MOD Single : A 503 THR OG1 : rot 180:sc= 0 USER MOD Single : A 506 HIS : no HD1:sc= -0.556 K(o=-0.56,f=-4.5!) USER MOD Single : A 516 ASN A: amide:sc= 0 X(o=0,f=0) USER MOD Single : A 516 ASN B: amide:sc= -0.0225 K(o=-0.022,f=-0.76) USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 CYS SG : rot 180:sc= 0 USER MOD Single : A 526 TYR OH : rot 180:sc= 0 USER MOD Single : A 533 TYR OH : rot -9:sc= 1.31 USER MOD Single : A 535 SER OG : rot -70:sc= 0.919 USER MOD Single : A 536 TYR OH : rot 20:sc= 0.822 USER MOD Single : A 538 THR OG1 : rot 100:sc= 0.254 USER MOD Single : A 541 CYS SG : rot 170:sc= -0.0912 USER MOD Single : A 548 MET CE :methyl -170:sc= -4.28! (180deg=-4.88!) USER MOD Single : A 552 ASN :FLIP amide:sc= -0.298 F(o=-2!,f=-0.3) USER MOD Single : A 555 CYS SG : rot 180:sc= 0 USER MOD Single : A 557 CYS SG : rot 137:sc= 0.21 USER MOD Single : A 573 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.42) USER MOD Single : A 577 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 582 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 584 TYR OH : rot 180:sc= -0.0104 USER MOD Single : A 585 MET CE :methyl -163:sc= -0.685 (180deg=-1.28) USER MOD Single : A 588 HIS : no HD1:sc= -0.0328 K(o=-0.033,f=-0.53) USER MOD Single : A 589 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 591 THR OG1 : rot 180:sc= 0 USER MOD Single : A 592 TYR OH : rot 180:sc= -0.0569 USER MOD Single : A 603 SER OG : rot 180:sc= 0.00219 USER MOD Single : A 606 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 607 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 615 EDO O2 : rot 180:sc= -0.0483 USER MOD Single : A 616 EDO O1 : rot 50:sc= 0.713 USER MOD Single : A 616 EDO O2 : rot -91:sc= 1.26 USER MOD Single : A 617 EDO O1 : rot 12:sc= 0.707 USER MOD Single : A 617 EDO O2 : rot 130:sc= 1.32 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 456 43.370 3.593 14.090 1.00 48.77 N ATOM 2 CA ALA A 456 42.494 2.527 14.656 1.00 48.65 C ATOM 3 C ALA A 456 42.943 1.144 14.192 1.00 48.74 C ATOM 4 O ALA A 456 43.296 0.962 13.031 1.00 48.75 O ATOM 5 CB ALA A 456 41.056 2.767 14.271 1.00 48.29 C ATOM 0 HA ALA A 456 42.568 2.560 15.623 1.00 48.65 H new ATOM 0 HB1 ALA A 456 40.499 2.067 14.646 1.00 48.29 H new ATOM 0 HB2 ALA A 456 40.768 3.627 14.615 1.00 48.29 H new ATOM 0 HB3 ALA A 456 40.974 2.762 13.304 1.00 48.29 H new ATOM 6 N ARG A 457 42.940 0.181 15.111 1.00 48.73 N ATOM 7 CA ARG A 457 43.070 -1.229 14.751 1.00 49.11 C ATOM 8 C ARG A 457 41.753 -1.736 14.126 1.00 48.70 C ATOM 9 O ARG A 457 40.676 -1.315 14.522 1.00 47.95 O ATOM 10 CB ARG A 457 43.407 -2.053 15.995 1.00 49.31 C ATOM 11 CG ARG A 457 44.324 -3.237 15.738 1.00 51.83 C ATOM 12 CD ARG A 457 44.030 -4.399 16.701 1.00 56.14 C ATOM 13 NE ARG A 457 44.383 -4.106 18.096 1.00 58.85 N ATOM 14 CZ ARG A 457 44.055 -4.864 19.148 1.00 59.94 C ATOM 15 NH1 ARG A 457 43.344 -5.982 18.997 1.00 60.72 N ATOM 16 NH2 ARG A 457 44.435 -4.499 20.367 1.00 59.56 N ATOM 0 H ARG A 457 42.863 0.325 15.955 1.00 48.73 H new ATOM 0 HA ARG A 457 43.785 -1.326 14.103 1.00 49.11 H new ATOM 0 HB2 ARG A 457 43.824 -1.472 16.651 1.00 49.31 H new ATOM 0 HB3 ARG A 457 42.581 -2.377 16.388 1.00 49.31 H new ATOM 0 HG2 ARG A 457 44.215 -3.539 14.823 1.00 51.83 H new ATOM 0 HG3 ARG A 457 45.248 -2.959 15.837 1.00 51.83 H new ATOM 0 HD2 ARG A 457 43.086 -4.619 16.653 1.00 56.14 H new ATOM 0 HD3 ARG A 457 44.520 -5.184 16.409 1.00 56.14 H new ATOM 0 HE ARG A 457 44.836 -3.391 18.248 1.00 58.85 H new ATOM 0 HH11 ARG A 457 43.088 -6.226 18.213 1.00 60.72 H new ATOM 0 HH12 ARG A 457 43.141 -6.459 19.684 1.00 60.72 H new ATOM 0 HH21 ARG A 457 44.890 -3.778 20.478 1.00 59.56 H new ATOM 0 HH22 ARG A 457 44.226 -4.984 21.046 1.00 59.56 H new ATOM 17 N THR A 458 41.860 -2.623 13.140 1.00 48.83 N ATOM 18 CA THR A 458 40.713 -3.260 12.498 1.00 48.92 C ATOM 19 C THR A 458 40.725 -4.770 12.675 1.00 48.69 C ATOM 20 O THR A 458 41.765 -5.367 12.941 1.00 48.78 O ATOM 21 CB THR A 458 40.682 -3.012 10.975 1.00 49.25 C ATOM 22 OG1 THR A 458 41.782 -3.694 10.343 1.00 50.15 O ATOM 23 CG2 THR A 458 40.732 -1.530 10.647 1.00 49.72 C ATOM 0 H THR A 458 42.617 -2.876 12.819 1.00 48.83 H new ATOM 0 HA THR A 458 39.940 -2.864 12.929 1.00 48.92 H new ATOM 0 HB THR A 458 39.844 -3.362 10.634 1.00 49.25 H new ATOM 0 HG1 THR A 458 41.759 -3.556 9.515 1.00 50.15 H new ATOM 0 HG21 THR A 458 40.711 -1.410 9.685 1.00 49.72 H new ATOM 0 HG22 THR A 458 39.968 -1.084 11.045 1.00 49.72 H new ATOM 0 HG23 THR A 458 41.549 -1.147 11.002 1.00 49.72 H new ATOM 24 N LYS A 459 39.559 -5.383 12.534 1.00 48.92 N ATOM 25 CA LYS A 459 39.447 -6.834 12.423 1.00 49.24 C ATOM 26 C LYS A 459 38.290 -7.179 11.489 1.00 50.20 C ATOM 27 O LYS A 459 37.359 -6.376 11.307 1.00 50.01 O ATOM 28 CB LYS A 459 39.264 -7.500 13.800 1.00 48.48 C ATOM 29 CG LYS A 459 37.999 -7.121 14.525 1.00 47.90 C ATOM 30 CD LYS A 459 37.926 -7.746 15.928 1.00 48.86 C ATOM 31 CE LYS A 459 36.570 -7.515 16.615 1.00 45.89 C ATOM 32 NZ LYS A 459 36.588 -8.107 17.979 1.00 46.29 N ATOM 0 H LYS A 459 38.806 -4.970 12.500 1.00 48.92 H new ATOM 0 HA LYS A 459 40.274 -7.181 12.053 1.00 49.24 H new ATOM 0 HB2 LYS A 459 39.278 -8.463 13.683 1.00 48.48 H new ATOM 0 HB3 LYS A 459 40.023 -7.271 14.359 1.00 48.48 H new ATOM 0 HG2 LYS A 459 37.948 -6.155 14.600 1.00 47.90 H new ATOM 0 HG3 LYS A 459 37.232 -7.407 14.005 1.00 47.90 H new ATOM 0 HD2 LYS A 459 38.092 -8.699 15.862 1.00 48.86 H new ATOM 0 HD3 LYS A 459 38.631 -7.373 16.480 1.00 48.86 H new ATOM 0 HE2 LYS A 459 36.383 -6.565 16.668 1.00 45.89 H new ATOM 0 HE3 LYS A 459 35.860 -7.915 16.089 1.00 45.89 H new ATOM 0 HZ1 LYS A 459 36.245 -7.526 18.560 1.00 46.29 H new ATOM 0 HZ2 LYS A 459 36.103 -8.853 17.985 1.00 46.29 H new ATOM 0 HZ3 LYS A 459 37.426 -8.296 18.210 1.00 46.29 H new ATOM 33 N GLN A 460 38.371 -8.356 10.877 1.00 51.40 N ATOM 34 CA GLN A 460 37.232 -8.938 10.196 1.00 53.17 C ATOM 35 C GLN A 460 36.358 -9.528 11.282 1.00 53.40 C ATOM 36 O GLN A 460 36.868 -10.086 12.254 1.00 53.88 O ATOM 37 CB GLN A 460 37.666 -10.035 9.225 1.00 53.45 C ATOM 38 CG GLN A 460 38.642 -9.581 8.131 1.00 58.26 C ATOM 39 CD GLN A 460 38.085 -8.467 7.244 1.00 64.75 C ATOM 40 OE1 GLN A 460 36.998 -8.591 6.661 1.00 67.96 O ATOM 41 NE2 GLN A 460 38.836 -7.370 7.138 1.00 67.21 N ATOM 0 H GLN A 460 39.085 -8.834 10.847 1.00 51.40 H new ATOM 0 HA GLN A 460 36.765 -8.268 9.673 1.00 53.17 H new ATOM 0 HB2 GLN A 460 38.079 -10.752 9.731 1.00 53.45 H new ATOM 0 HB3 GLN A 460 36.876 -10.405 8.802 1.00 53.45 H new ATOM 0 HG2 GLN A 460 39.463 -9.274 8.547 1.00 58.26 H new ATOM 0 HG3 GLN A 460 38.872 -10.343 7.576 1.00 58.26 H new ATOM 0 HE21 GLN A 460 39.585 -7.320 7.557 1.00 67.21 H new ATOM 0 HE22 GLN A 460 38.571 -6.713 6.650 1.00 67.21 H new ATOM 42 N THR A 461 35.044 -9.386 11.141 1.00 53.77 N ATOM 43 CA THR A 461 34.125 -9.940 12.119 1.00 53.65 C ATOM 44 C THR A 461 34.017 -11.445 11.928 1.00 54.34 C ATOM 45 O THR A 461 34.265 -11.964 10.828 1.00 54.11 O ATOM 46 CB THR A 461 32.730 -9.290 12.049 1.00 53.75 C ATOM 47 OG1 THR A 461 32.192 -9.441 10.731 1.00 52.76 O ATOM 48 CG2 THR A 461 32.815 -7.816 12.390 1.00 52.78 C ATOM 0 H THR A 461 34.668 -8.973 10.487 1.00 53.77 H new ATOM 0 HA THR A 461 34.483 -9.746 12.999 1.00 53.65 H new ATOM 0 HB THR A 461 32.151 -9.730 12.691 1.00 53.75 H new ATOM 0 HG1 THR A 461 31.544 -8.916 10.631 1.00 52.76 H new ATOM 0 HG21 THR A 461 31.930 -7.421 12.342 1.00 52.78 H new ATOM 0 HG22 THR A 461 33.167 -7.711 13.288 1.00 52.78 H new ATOM 0 HG23 THR A 461 33.402 -7.371 11.759 1.00 52.78 H new ATOM 49 N ALA A 462 33.679 -12.141 13.012 1.00 54.70 N ATOM 50 CA ALA A 462 33.428 -13.565 12.952 1.00 55.31 C ATOM 51 C ALA A 462 32.155 -13.769 12.151 1.00 55.73 C ATOM 52 O ALA A 462 31.139 -13.123 12.417 1.00 55.76 O ATOM 53 CB ALA A 462 33.295 -14.152 14.354 1.00 55.39 C ATOM 0 H ALA A 462 33.591 -11.797 13.795 1.00 54.70 H new ATOM 0 HA ALA A 462 34.169 -14.023 12.526 1.00 55.31 H new ATOM 0 HB1 ALA A 462 33.127 -15.105 14.291 1.00 55.39 H new ATOM 0 HB2 ALA A 462 34.116 -14.000 14.848 1.00 55.39 H new ATOM 0 HB3 ALA A 462 32.557 -13.724 14.816 1.00 55.39 H new ATOM 54 N ARG A 463 32.229 -14.643 11.151 1.00 56.39 N ATOM 55 CA ARG A 463 31.082 -14.976 10.316 1.00 57.20 C ATOM 56 C ARG A 463 29.891 -15.330 11.207 1.00 57.73 C ATOM 57 O ARG A 463 30.055 -15.966 12.254 1.00 57.94 O ATOM 58 CB ARG A 463 31.422 -16.143 9.376 1.00 57.06 C ATOM 59 CG ARG A 463 32.325 -15.873 8.484 0.00 53.37 C ATOM 60 CD ARG A 463 31.897 -14.759 7.516 0.00 57.35 C ATOM 61 NE ARG A 463 32.615 -14.810 6.238 0.00 63.14 N ATOM 62 CZ ARG A 463 32.547 -13.865 5.298 0.00 67.72 C ATOM 63 NH1 ARG A 463 31.802 -12.776 5.479 0.00 67.72 N ATOM 64 NH2 ARG A 463 33.236 -14.002 4.176 0.00 73.39 N ATOM 0 H ARG A 463 32.950 -15.061 10.938 1.00 56.39 H new ATOM 0 HA ARG A 463 30.851 -14.209 9.769 1.00 57.20 H new ATOM 0 HB2 ARG A 463 31.725 -16.894 9.909 1.00 57.06 H new ATOM 0 HB3 ARG A 463 30.612 -16.425 8.924 1.00 57.06 H new ATOM 0 HG2 ARG A 463 33.145 -15.610 8.930 0.00 53.37 H new ATOM 0 HG3 ARG A 463 32.523 -16.676 7.978 0.00 53.37 H new ATOM 0 HD2 ARG A 463 30.944 -14.829 7.350 0.00 57.35 H new ATOM 0 HD3 ARG A 463 32.049 -13.897 7.934 0.00 57.35 H new ATOM 0 HE ARG A 463 33.113 -15.494 6.084 0.00 63.14 H new ATOM 0 HH11 ARG A 463 31.357 -12.675 6.208 0.00 67.72 H new ATOM 0 HH12 ARG A 463 31.765 -12.173 4.867 0.00 67.72 H new ATOM 0 HH21 ARG A 463 33.726 -14.698 4.054 0.00 73.39 H new ATOM 0 HH22 ARG A 463 33.194 -13.395 3.569 0.00 73.39 H new ATOM 65 N LYS A 464 28.699 -14.905 10.801 1.00 58.20 N ATOM 66 CA LYS A 464 27.500 -15.124 11.607 1.00 58.48 C ATOM 67 C LYS A 464 26.590 -16.211 11.016 1.00 58.85 C ATOM 68 O LYS A 464 25.430 -15.967 10.657 1.00 59.36 O ATOM 69 CB LYS A 464 26.762 -13.797 11.788 1.00 58.39 C ATOM 70 CG LYS A 464 25.857 -13.752 12.996 1.00 58.23 C ATOM 71 CD LYS A 464 25.967 -12.417 13.701 1.00 56.99 C ATOM 72 CE LYS A 464 25.859 -11.245 12.758 1.00 54.28 C ATOM 73 NZ LYS A 464 25.786 -10.052 13.596 1.00 53.11 N ATOM 0 H LYS A 464 28.562 -14.487 10.062 1.00 58.20 H new ATOM 0 HA LYS A 464 27.771 -15.454 12.478 1.00 58.48 H new ATOM 0 HB2 LYS A 464 27.414 -13.083 11.858 1.00 58.39 H new ATOM 0 HB3 LYS A 464 26.234 -13.621 10.994 1.00 58.39 H new ATOM 0 HG2 LYS A 464 24.939 -13.904 12.723 1.00 58.23 H new ATOM 0 HG3 LYS A 464 26.093 -14.466 13.609 1.00 58.23 H new ATOM 0 HD2 LYS A 464 25.269 -12.352 14.372 1.00 56.99 H new ATOM 0 HD3 LYS A 464 26.815 -12.373 14.169 1.00 56.99 H new ATOM 0 HE2 LYS A 464 26.626 -11.206 12.166 1.00 54.28 H new ATOM 0 HE3 LYS A 464 25.071 -11.323 12.197 1.00 54.28 H new ATOM 0 HZ1 LYS A 464 25.506 -9.363 13.108 1.00 53.11 H new ATOM 0 HZ2 LYS A 464 25.215 -10.193 14.264 1.00 53.11 H new ATOM 0 HZ3 LYS A 464 26.592 -9.872 13.928 1.00 53.11 H new ATOM 74 N ARG A 472 19.122 -4.249 1.621 1.00 50.01 N ATOM 75 CA ARG A 472 19.323 -3.583 2.904 1.00 50.41 C ATOM 76 C ARG A 472 20.234 -2.358 2.774 1.00 50.17 C ATOM 77 O ARG A 472 19.847 -1.256 3.161 1.00 50.35 O ATOM 78 CB ARG A 472 19.895 -4.552 3.946 1.00 50.35 C ATOM 79 CG ARG A 472 19.625 -4.148 5.413 1.00 51.86 C ATOM 80 CD ARG A 472 18.236 -4.690 5.904 1.00 54.14 C ATOM 81 NE ARG A 472 17.186 -3.661 5.941 1.00 54.45 N ATOM 82 CZ ARG A 472 15.900 -3.878 6.221 1.00 54.49 C ATOM 83 NH1 ARG A 472 15.449 -5.101 6.482 1.00 55.68 N ATOM 84 NH2 ARG A 472 15.050 -2.860 6.235 1.00 54.47 N ATOM 0 HA ARG A 472 18.451 -3.280 3.203 1.00 50.41 H new ATOM 0 HB2 ARG A 472 19.521 -5.433 3.791 1.00 50.35 H new ATOM 0 HB3 ARG A 472 20.853 -4.623 3.813 1.00 50.35 H new ATOM 0 HG2 ARG A 472 20.330 -4.495 5.982 1.00 51.86 H new ATOM 0 HG3 ARG A 472 19.645 -3.182 5.494 1.00 51.86 H new ATOM 0 HD2 ARG A 472 17.953 -5.410 5.319 1.00 54.14 H new ATOM 0 HD3 ARG A 472 18.340 -5.069 6.791 1.00 54.14 H new ATOM 0 HE ARG A 472 17.421 -2.852 5.768 1.00 54.45 H new ATOM 0 HH11 ARG A 472 15.990 -5.770 6.472 1.00 55.68 H new ATOM 0 HH12 ARG A 472 14.617 -5.223 6.661 1.00 55.68 H new ATOM 0 HH21 ARG A 472 15.329 -2.065 6.064 1.00 54.47 H new ATOM 0 HH22 ARG A 472 14.220 -2.995 6.415 1.00 54.47 H new ATOM 85 N LYS A 473 21.444 -2.561 2.252 1.00 49.64 N ATOM 86 CA LYS A 473 22.386 -1.473 1.996 1.00 49.17 C ATOM 87 C LYS A 473 21.785 -0.407 1.068 1.00 48.50 C ATOM 88 O LYS A 473 21.781 0.775 1.397 1.00 49.05 O ATOM 89 CB LYS A 473 23.672 -2.026 1.383 1.00 49.53 C ATOM 90 CG LYS A 473 24.762 -0.992 1.217 1.00 49.45 C ATOM 91 CD LYS A 473 26.016 -1.663 0.783 1.00 51.58 C ATOM 92 CE LYS A 473 27.165 -0.701 0.801 1.00 52.82 C ATOM 93 NZ LYS A 473 28.308 -1.350 0.089 1.00 52.84 N ATOM 0 H LYS A 473 21.742 -3.338 2.036 1.00 49.64 H new ATOM 0 HA LYS A 473 22.585 -1.051 2.846 1.00 49.17 H new ATOM 0 HB2 LYS A 473 24.003 -2.746 1.942 1.00 49.53 H new ATOM 0 HB3 LYS A 473 23.468 -2.411 0.516 1.00 49.53 H new ATOM 0 HG2 LYS A 473 24.495 -0.328 0.562 1.00 49.45 H new ATOM 0 HG3 LYS A 473 24.907 -0.523 2.054 1.00 49.45 H new ATOM 0 HD2 LYS A 473 26.207 -2.413 1.368 1.00 51.58 H new ATOM 0 HD3 LYS A 473 25.903 -2.023 -0.111 1.00 51.58 H new ATOM 0 HE2 LYS A 473 26.920 0.131 0.366 1.00 52.82 H new ATOM 0 HE3 LYS A 473 27.412 -0.482 1.713 1.00 52.82 H new ATOM 0 HZ1 LYS A 473 29.007 -0.799 0.085 1.00 52.84 H new ATOM 0 HZ2 LYS A 473 28.528 -2.104 0.507 1.00 52.84 H new ATOM 0 HZ3 LYS A 473 28.070 -1.534 -0.749 1.00 52.84 H new ATOM 94 N GLN A 474 21.278 -0.832 -0.082 1.00 47.11 N ATOM 95 CA GLN A 474 20.574 0.063 -0.997 1.00 46.81 C ATOM 96 C GLN A 474 19.595 1.006 -0.271 1.00 46.23 C ATOM 97 O GLN A 474 19.593 2.201 -0.500 1.00 45.62 O ATOM 98 CB GLN A 474 19.868 -0.783 -2.049 1.00 46.48 C ATOM 99 CG GLN A 474 19.123 -0.006 -3.083 1.00 49.67 C ATOM 100 CD GLN A 474 18.772 -0.880 -4.261 1.00 53.00 C ATOM 101 OE1 GLN A 474 18.470 -2.064 -4.095 1.00 56.02 O ATOM 102 NE2 GLN A 474 18.836 -0.318 -5.460 1.00 51.63 N ATOM 0 H GLN A 474 21.331 -1.646 -0.356 1.00 47.11 H new ATOM 0 HA GLN A 474 21.221 0.646 -1.424 1.00 46.81 H new ATOM 0 HB2 GLN A 474 20.527 -1.339 -2.493 1.00 46.48 H new ATOM 0 HB3 GLN A 474 19.248 -1.380 -1.602 1.00 46.48 H new ATOM 0 HG2 GLN A 474 18.313 0.362 -2.696 1.00 49.67 H new ATOM 0 HG3 GLN A 474 19.662 0.744 -3.380 1.00 49.67 H new ATOM 0 HE21 GLN A 474 19.050 0.511 -5.535 1.00 51.63 H new ATOM 0 HE22 GLN A 474 18.663 -0.783 -6.163 1.00 51.63 H new ATOM 103 N LEU A 475 18.803 0.446 0.637 1.00 46.46 N ATOM 104 CA LEU A 475 17.797 1.147 1.400 1.00 46.79 C ATOM 105 C LEU A 475 18.402 2.116 2.405 1.00 46.35 C ATOM 106 O LEU A 475 17.938 3.240 2.501 1.00 46.81 O ATOM 107 CB LEU A 475 16.899 0.144 2.154 1.00 47.80 C ATOM 108 CG LEU A 475 15.973 0.729 3.256 1.00 49.94 C ATOM 109 CD1 LEU A 475 14.847 1.557 2.612 1.00 52.99 C ATOM 110 CD2 LEU A 475 15.383 -0.342 4.182 1.00 48.46 C ATOM 0 H LEU A 475 18.845 -0.391 0.829 1.00 46.46 H new ATOM 0 HA LEU A 475 17.272 1.658 0.764 1.00 46.79 H new ATOM 0 HB2 LEU A 475 16.344 -0.314 1.504 1.00 47.80 H new ATOM 0 HB3 LEU A 475 17.469 -0.526 2.562 1.00 47.80 H new ATOM 0 HG LEU A 475 16.526 1.299 3.813 1.00 49.94 H new ATOM 0 HD11 LEU A 475 14.274 1.919 3.306 1.00 52.99 H new ATOM 0 HD12 LEU A 475 15.233 2.285 2.100 1.00 52.99 H new ATOM 0 HD13 LEU A 475 14.324 0.990 2.024 1.00 52.99 H new ATOM 0 HD21 LEU A 475 14.816 0.081 4.846 1.00 48.46 H new ATOM 0 HD22 LEU A 475 14.857 -0.967 3.660 1.00 48.46 H new ATOM 0 HD23 LEU A 475 16.102 -0.818 4.627 1.00 48.46 H new ATOM 111 N ARG A 476 19.410 1.670 3.159 1.00 45.04 N ATOM 112 CA ARG A 476 20.059 2.481 4.180 1.00 44.82 C ATOM 113 C ARG A 476 20.715 3.652 3.516 1.00 43.81 C ATOM 114 O ARG A 476 20.611 4.778 3.982 1.00 43.57 O ATOM 115 CB ARG A 476 21.169 1.711 4.901 1.00 44.39 C ATOM 116 CG ARG A 476 20.707 0.880 6.050 1.00 46.59 C ATOM 117 CD ARG A 476 21.918 0.264 6.763 1.00 43.88 C ATOM 118 NE ARG A 476 22.284 1.024 7.956 1.00 42.26 N ATOM 119 CZ ARG A 476 23.467 0.955 8.576 1.00 42.93 C ATOM 120 NH1 ARG A 476 24.444 0.233 8.051 1.00 39.29 N ATOM 121 NH2 ARG A 476 23.694 1.664 9.696 1.00 40.55 N ATOM 0 H ARG A 476 19.737 0.878 3.087 1.00 45.04 H new ATOM 0 HA ARG A 476 19.378 2.744 4.819 1.00 44.82 H new ATOM 0 HB2 ARG A 476 21.615 1.135 4.260 1.00 44.39 H new ATOM 0 HB3 ARG A 476 21.830 2.345 5.221 1.00 44.39 H new ATOM 0 HG2 ARG A 476 20.198 1.425 6.670 1.00 46.59 H new ATOM 0 HG3 ARG A 476 20.115 0.179 5.736 1.00 46.59 H new ATOM 0 HD2 ARG A 476 21.717 -0.652 7.011 1.00 43.88 H new ATOM 0 HD3 ARG A 476 22.672 0.234 6.154 1.00 43.88 H new ATOM 0 HE ARG A 476 21.694 1.556 8.285 1.00 42.26 H new ATOM 0 HH11 ARG A 476 24.317 -0.190 7.313 1.00 39.29 H new ATOM 0 HH12 ARG A 476 25.206 0.187 8.448 1.00 39.29 H new ATOM 0 HH21 ARG A 476 23.076 2.167 10.019 1.00 40.55 H new ATOM 0 HH22 ARG A 476 24.457 1.614 10.089 1.00 40.55 H new ATOM 122 N GLU A 477 21.396 3.342 2.423 1.00 42.61 N ATOM 123 CA GLU A 477 22.068 4.312 1.627 1.00 42.74 C ATOM 124 C GLU A 477 21.119 5.408 1.098 1.00 41.46 C ATOM 125 O GLU A 477 21.423 6.579 1.217 1.00 40.94 O ATOM 126 CB GLU A 477 22.749 3.585 0.494 1.00 43.16 C ATOM 127 CG GLU A 477 23.966 4.270 0.043 1.00 48.53 C ATOM 128 CD GLU A 477 25.161 4.049 0.929 1.00 53.46 C ATOM 129 OE1 GLU A 477 25.244 3.033 1.648 1.00 53.60 O ATOM 130 OE2 GLU A 477 26.050 4.915 0.868 1.00 59.77 O ATOM 0 H GLU A 477 21.474 2.538 2.128 1.00 42.61 H new ATOM 0 HA GLU A 477 22.720 4.777 2.175 1.00 42.74 H new ATOM 0 HB2 GLU A 477 22.974 2.685 0.779 1.00 43.16 H new ATOM 0 HB3 GLU A 477 22.133 3.501 -0.250 1.00 43.16 H new ATOM 0 HG2 GLU A 477 24.181 3.970 -0.854 1.00 48.53 H new ATOM 0 HG3 GLU A 477 23.788 5.222 -0.012 1.00 48.53 H new ATOM 131 N ARG A 478 19.974 5.016 0.547 1.00 40.65 N ATOM 132 CA ARG A 478 18.954 5.949 0.076 1.00 40.37 C ATOM 133 C ARG A 478 18.388 6.777 1.237 1.00 40.81 C ATOM 134 O ARG A 478 18.244 7.980 1.120 1.00 39.76 O ATOM 135 CB ARG A 478 17.844 5.187 -0.636 1.00 40.20 C ATOM 136 CG ARG A 478 16.624 6.013 -1.018 1.00 42.88 C ATOM 137 CD ARG A 478 16.962 7.161 -1.961 1.00 43.18 C ATOM 138 NE ARG A 478 15.910 8.164 -1.995 1.00 44.66 N ATOM 139 CZ ARG A 478 15.828 9.151 -2.889 1.00 44.55 C ATOM 140 NH1 ARG A 478 16.741 9.278 -3.859 1.00 41.75 N ATOM 141 NH2 ARG A 478 14.817 10.007 -2.806 1.00 41.63 N ATOM 0 H ARG A 478 19.765 4.189 0.435 1.00 40.65 H new ATOM 0 HA ARG A 478 19.364 6.564 -0.552 1.00 40.37 H new ATOM 0 HB2 ARG A 478 18.211 4.789 -1.441 1.00 40.20 H new ATOM 0 HB3 ARG A 478 17.556 4.458 -0.065 1.00 40.20 H new ATOM 0 HG2 ARG A 478 15.967 5.437 -1.439 1.00 42.88 H new ATOM 0 HG3 ARG A 478 16.215 6.370 -0.214 1.00 42.88 H new ATOM 0 HD2 ARG A 478 17.794 7.575 -1.681 1.00 43.18 H new ATOM 0 HD3 ARG A 478 17.105 6.813 -2.855 1.00 43.18 H new ATOM 0 HE ARG A 478 15.296 8.118 -1.395 1.00 44.66 H new ATOM 0 HH11 ARG A 478 17.392 8.719 -3.912 1.00 41.75 H new ATOM 0 HH12 ARG A 478 16.677 9.919 -4.429 1.00 41.75 H new ATOM 0 HH21 ARG A 478 14.230 9.920 -2.184 1.00 41.63 H new ATOM 0 HH22 ARG A 478 14.749 10.649 -3.374 1.00 41.63 H new ATOM 142 N LEU A 479 18.128 6.142 2.378 1.00 40.82 N ATOM 143 CA LEU A 479 17.533 6.866 3.506 1.00 41.90 C ATOM 144 C LEU A 479 18.516 7.857 4.124 1.00 42.31 C ATOM 145 O LEU A 479 18.129 8.958 4.540 1.00 43.01 O ATOM 146 CB LEU A 479 17.014 5.903 4.572 1.00 41.75 C ATOM 147 CG LEU A 479 15.783 5.101 4.146 1.00 43.12 C ATOM 148 CD1 LEU A 479 15.431 4.149 5.265 1.00 46.26 C ATOM 149 CD2 LEU A 479 14.612 6.006 3.854 1.00 43.40 C ATOM 0 H LEU A 479 18.284 5.308 2.521 1.00 40.82 H new ATOM 0 HA LEU A 479 16.782 7.368 3.153 1.00 41.90 H new ATOM 0 HB2 LEU A 479 17.724 5.286 4.809 1.00 41.75 H new ATOM 0 HB3 LEU A 479 16.798 6.408 5.372 1.00 41.75 H new ATOM 0 HG LEU A 479 15.985 4.614 3.332 1.00 43.12 H new ATOM 0 HD11 LEU A 479 14.651 3.629 5.015 1.00 46.26 H new ATOM 0 HD12 LEU A 479 16.178 3.552 5.429 1.00 46.26 H new ATOM 0 HD13 LEU A 479 15.238 4.654 6.071 1.00 46.26 H new ATOM 0 HD21 LEU A 479 13.848 5.471 3.587 1.00 43.40 H new ATOM 0 HD22 LEU A 479 14.389 6.513 4.650 1.00 43.40 H new ATOM 0 HD23 LEU A 479 14.845 6.616 3.137 1.00 43.40 H new ATOM 150 N VAL A 480 19.790 7.480 4.167 1.00 41.96 N ATOM 151 CA VAL A 480 20.810 8.389 4.687 1.00 42.14 C ATOM 152 C VAL A 480 20.929 9.583 3.771 1.00 40.45 C ATOM 153 O VAL A 480 20.973 10.695 4.237 1.00 41.11 O ATOM 154 CB VAL A 480 22.168 7.681 4.937 1.00 41.62 C ATOM 155 CG1 VAL A 480 23.308 8.666 4.903 1.00 43.36 C ATOM 156 CG2 VAL A 480 22.116 7.037 6.256 1.00 44.56 C ATOM 0 H VAL A 480 20.083 6.715 3.905 1.00 41.96 H new ATOM 0 HA VAL A 480 20.530 8.702 5.561 1.00 42.14 H new ATOM 0 HB VAL A 480 22.319 7.025 4.239 1.00 41.62 H new ATOM 0 HG11 VAL A 480 24.144 8.200 5.062 1.00 43.36 H new ATOM 0 HG12 VAL A 480 23.338 9.096 4.034 1.00 43.36 H new ATOM 0 HG13 VAL A 480 23.177 9.337 5.591 1.00 43.36 H new ATOM 0 HG21 VAL A 480 22.958 6.588 6.431 1.00 44.56 H new ATOM 0 HG22 VAL A 480 21.961 7.709 6.938 1.00 44.56 H new ATOM 0 HG23 VAL A 480 21.395 6.388 6.271 1.00 44.56 H new ATOM 157 N TYR A 481 20.975 9.356 2.466 1.00 39.37 N ATOM 158 CA TYR A 481 20.892 10.466 1.521 1.00 37.77 C ATOM 159 C TYR A 481 19.704 11.419 1.793 1.00 37.64 C ATOM 160 O TYR A 481 19.850 12.641 1.698 1.00 37.39 O ATOM 161 CB TYR A 481 20.825 9.937 0.092 1.00 35.87 C ATOM 162 CG TYR A 481 20.676 11.019 -0.952 1.00 35.64 C ATOM 163 CD1 TYR A 481 21.773 11.787 -1.358 1.00 34.27 C ATOM 164 CD2 TYR A 481 19.440 11.274 -1.547 1.00 35.29 C ATOM 165 CE1 TYR A 481 21.645 12.771 -2.333 1.00 30.36 C ATOM 166 CE2 TYR A 481 19.297 12.262 -2.531 1.00 33.97 C ATOM 167 CZ TYR A 481 20.412 12.996 -2.926 1.00 34.54 C ATOM 168 OH TYR A 481 20.291 13.971 -3.896 1.00 32.77 O ATOM 0 H TYR A 481 21.053 8.578 2.108 1.00 39.37 H new ATOM 0 HA TYR A 481 21.699 10.991 1.643 1.00 37.77 H new ATOM 0 HB2 TYR A 481 21.630 9.428 -0.094 1.00 35.87 H new ATOM 0 HB3 TYR A 481 20.078 9.323 0.018 1.00 35.87 H new ATOM 0 HD1 TYR A 481 22.604 11.637 -0.968 1.00 34.27 H new ATOM 0 HD2 TYR A 481 18.697 10.779 -1.286 1.00 35.29 H new ATOM 0 HE1 TYR A 481 22.384 13.276 -2.586 1.00 30.36 H new ATOM 0 HE2 TYR A 481 18.466 12.425 -2.916 1.00 33.97 H new ATOM 0 HH TYR A 481 19.497 13.999 -4.168 1.00 32.77 H new ATOM 169 N GLU A 482 18.545 10.864 2.145 1.00 37.89 N ATOM 170 CA GLU A 482 17.335 11.689 2.378 1.00 38.32 C ATOM 171 C GLU A 482 17.427 12.503 3.666 1.00 38.39 C ATOM 172 O GLU A 482 16.965 13.646 3.704 1.00 37.73 O ATOM 173 CB GLU A 482 16.086 10.825 2.388 1.00 37.79 C ATOM 174 CG GLU A 482 15.740 10.268 1.022 1.00 40.56 C ATOM 175 CD GLU A 482 14.572 9.281 1.052 1.00 42.77 C ATOM 176 OE1 GLU A 482 13.933 9.109 2.112 1.00 46.10 O ATOM 177 OE2 GLU A 482 14.288 8.678 0.005 1.00 44.53 O ATOM 0 H GLU A 482 18.429 10.019 2.256 1.00 37.89 H new ATOM 0 HA GLU A 482 17.278 12.318 1.642 1.00 38.32 H new ATOM 0 HB2 GLU A 482 16.212 10.090 3.009 1.00 37.79 H new ATOM 0 HB3 GLU A 482 15.339 11.349 2.717 1.00 37.79 H new ATOM 0 HG2 GLU A 482 15.521 11.001 0.426 1.00 40.56 H new ATOM 0 HG3 GLU A 482 16.520 9.826 0.652 1.00 40.56 H new ATOM 178 N VAL A 483 17.992 11.888 4.715 1.00 38.90 N ATOM 179 CA VAL A 483 18.369 12.564 5.957 1.00 38.89 C ATOM 180 C VAL A 483 19.331 13.723 5.666 1.00 39.82 C ATOM 181 O VAL A 483 19.039 14.874 6.049 1.00 40.57 O ATOM 182 CB VAL A 483 18.948 11.583 7.017 1.00 39.84 C ATOM 183 CG1 VAL A 483 19.404 12.354 8.282 1.00 41.37 C ATOM 184 CG2 VAL A 483 17.912 10.561 7.431 1.00 36.58 C ATOM 0 H VAL A 483 18.169 11.046 4.720 1.00 38.90 H new ATOM 0 HA VAL A 483 17.560 12.931 6.347 1.00 38.89 H new ATOM 0 HB VAL A 483 19.706 11.134 6.611 1.00 39.84 H new ATOM 0 HG11 VAL A 483 19.762 11.728 8.931 1.00 41.37 H new ATOM 0 HG12 VAL A 483 20.090 12.996 8.040 1.00 41.37 H new ATOM 0 HG13 VAL A 483 18.646 12.821 8.667 1.00 41.37 H new ATOM 0 HG21 VAL A 483 18.294 9.961 8.091 1.00 36.58 H new ATOM 0 HG22 VAL A 483 17.144 11.015 7.813 1.00 36.58 H new ATOM 0 HG23 VAL A 483 17.632 10.051 6.655 1.00 36.58 H new ATOM 185 N ARG A 484 20.412 13.457 4.927 1.00 39.28 N ATOM 186 CA ARG A 484 21.382 14.502 4.563 1.00 39.90 C ATOM 187 C ARG A 484 20.751 15.599 3.758 1.00 39.75 C ATOM 188 O ARG A 484 21.110 16.752 3.905 1.00 40.86 O ATOM 189 CB ARG A 484 22.562 13.950 3.747 1.00 39.71 C ATOM 190 CG ARG A 484 23.561 13.078 4.517 1.00 41.40 C ATOM 191 CD ARG A 484 24.693 12.514 3.582 1.00 42.03 C ATOM 192 NE ARG A 484 25.249 13.499 2.631 1.00 45.32 N ATOM 193 CZ ARG A 484 26.390 14.179 2.817 1.00 45.43 C ATOM 194 NH1 ARG A 484 27.112 14.003 3.909 1.00 44.87 N ATOM 195 NH2 ARG A 484 26.808 15.034 1.901 1.00 48.25 N ATOM 0 H ARG A 484 20.604 12.675 4.624 1.00 39.28 H new ATOM 0 HA ARG A 484 21.704 14.850 5.409 1.00 39.90 H new ATOM 0 HB2 ARG A 484 22.207 13.430 3.009 1.00 39.71 H new ATOM 0 HB3 ARG A 484 23.043 14.698 3.361 1.00 39.71 H new ATOM 0 HG2 ARG A 484 23.962 13.599 5.230 1.00 41.40 H new ATOM 0 HG3 ARG A 484 23.090 12.340 4.935 1.00 41.40 H new ATOM 0 HD2 ARG A 484 25.413 12.173 4.135 1.00 42.03 H new ATOM 0 HD3 ARG A 484 24.339 11.762 3.082 1.00 42.03 H new ATOM 0 HE ARG A 484 24.810 13.647 1.907 1.00 45.32 H new ATOM 0 HH11 ARG A 484 26.852 13.447 4.511 1.00 44.87 H new ATOM 0 HH12 ARG A 484 27.842 14.444 4.018 1.00 44.87 H new ATOM 0 HH21 ARG A 484 26.348 15.155 1.184 1.00 48.25 H new ATOM 0 HH22 ARG A 484 27.540 15.469 2.021 1.00 48.25 H new ATOM 196 N GLN A 485 19.825 15.237 2.874 1.00 39.47 N ATOM 197 CA GLN A 485 19.112 16.189 2.053 1.00 38.25 C ATOM 198 C GLN A 485 17.926 16.865 2.787 1.00 38.21 C ATOM 199 O GLN A 485 17.235 17.692 2.219 1.00 37.79 O ATOM 200 CB GLN A 485 18.663 15.507 0.762 1.00 37.99 C ATOM 201 CG GLN A 485 19.811 15.194 -0.197 1.00 39.26 C ATOM 202 CD GLN A 485 20.708 16.427 -0.427 1.00 40.13 C ATOM 203 OE1 GLN A 485 20.356 17.326 -1.178 1.00 38.98 O ATOM 204 NE2 GLN A 485 21.834 16.474 0.257 1.00 39.16 N ATOM 0 H GLN A 485 19.595 14.419 2.738 1.00 39.47 H new ATOM 0 HA GLN A 485 19.723 16.912 1.841 1.00 38.25 H new ATOM 0 HB2 GLN A 485 18.203 14.682 0.984 1.00 37.99 H new ATOM 0 HB3 GLN A 485 18.021 16.077 0.311 1.00 37.99 H new ATOM 0 HG2 GLN A 485 20.344 14.467 0.161 1.00 39.26 H new ATOM 0 HG3 GLN A 485 19.452 14.891 -1.046 1.00 39.26 H new ATOM 0 HE21 GLN A 485 22.049 15.823 0.776 1.00 39.16 H new ATOM 0 HE22 GLN A 485 22.353 17.156 0.184 1.00 39.16 H new ATOM 205 N LYS A 486 17.702 16.495 4.041 1.00 38.42 N ATOM 206 CA LYS A 486 16.684 17.126 4.886 1.00 39.62 C ATOM 207 C LYS A 486 15.234 16.877 4.449 1.00 39.92 C ATOM 208 O LYS A 486 14.319 17.702 4.693 1.00 39.57 O ATOM 209 CB LYS A 486 17.031 18.611 5.115 1.00 39.97 C ATOM 210 CG LYS A 486 18.272 18.728 6.031 1.00 43.76 C ATOM 211 CD LYS A 486 18.641 20.159 6.265 1.00 52.12 C ATOM 212 CE LYS A 486 19.436 20.284 7.574 1.00 55.76 C ATOM 213 NZ LYS A 486 19.365 21.733 8.057 1.00 57.49 N ATOM 0 H LYS A 486 18.138 15.866 4.433 1.00 38.42 H new ATOM 0 HA LYS A 486 16.714 16.679 5.746 1.00 39.62 H new ATOM 0 HB2 LYS A 486 17.205 19.045 4.265 1.00 39.97 H new ATOM 0 HB3 LYS A 486 16.277 19.069 5.519 1.00 39.97 H new ATOM 0 HG2 LYS A 486 18.092 18.295 6.880 1.00 43.76 H new ATOM 0 HG3 LYS A 486 19.020 18.261 5.627 1.00 43.76 H new ATOM 0 HD2 LYS A 486 19.170 20.491 5.523 1.00 52.12 H new ATOM 0 HD3 LYS A 486 17.841 20.705 6.310 1.00 52.12 H new ATOM 0 HE2 LYS A 486 19.072 19.688 8.247 1.00 55.76 H new ATOM 0 HE3 LYS A 486 20.359 20.022 7.433 1.00 55.76 H new ATOM 0 HZ1 LYS A 486 19.823 21.816 8.816 1.00 57.49 H new ATOM 0 HZ2 LYS A 486 19.715 22.270 7.439 1.00 57.49 H new ATOM 0 HZ3 LYS A 486 18.515 21.958 8.198 1.00 57.49 H new ATOM 214 N CYS A 487 15.047 15.706 3.834 1.00 39.34 N ATOM 215 CA CYS A 487 13.751 15.205 3.405 1.00 39.82 C ATOM 216 C CYS A 487 13.235 14.075 4.304 1.00 39.92 C ATOM 217 O CYS A 487 12.140 13.563 4.108 1.00 39.78 O ATOM 218 CB CYS A 487 13.842 14.725 1.952 1.00 39.67 C ATOM 219 SG CYS A 487 13.901 16.151 0.850 1.00 42.86 S ATOM 0 H CYS A 487 15.694 15.170 3.652 1.00 39.34 H new ATOM 0 HA CYS A 487 13.116 15.935 3.474 1.00 39.82 H new ATOM 0 HB2 CYS A 487 14.634 14.178 1.831 1.00 39.67 H new ATOM 0 HB3 CYS A 487 13.077 14.169 1.736 1.00 39.67 H new ATOM 0 HG CYS A 487 13.974 15.776 -0.287 1.00 42.86 H new ATOM 220 N ARG A 488 14.039 13.690 5.283 1.00 40.34 N ATOM 221 CA ARG A 488 13.641 12.697 6.254 1.00 41.22 C ATOM 222 C ARG A 488 14.372 12.969 7.552 1.00 40.72 C ATOM 223 O ARG A 488 15.522 13.396 7.519 1.00 40.51 O ATOM 224 CB ARG A 488 14.000 11.291 5.760 1.00 41.73 C ATOM 225 CG ARG A 488 13.114 10.238 6.399 1.00 44.47 C ATOM 226 CD ARG A 488 13.264 8.899 5.779 1.00 46.74 C ATOM 227 NE ARG A 488 12.728 8.760 4.419 1.00 44.10 N ATOM 228 CZ ARG A 488 11.505 8.335 4.134 1.00 44.57 C ATOM 229 NH1 ARG A 488 10.619 8.084 5.095 1.00 45.90 N ATOM 230 NH2 ARG A 488 11.159 8.207 2.875 1.00 45.61 N ATOM 0 H ARG A 488 14.832 14.000 5.400 1.00 40.34 H new ATOM 0 HA ARG A 488 12.681 12.746 6.387 1.00 41.22 H new ATOM 0 HB2 ARG A 488 13.908 11.252 4.795 1.00 41.73 H new ATOM 0 HB3 ARG A 488 14.929 11.102 5.964 1.00 41.73 H new ATOM 0 HG2 ARG A 488 13.324 10.176 7.344 1.00 44.47 H new ATOM 0 HG3 ARG A 488 12.188 10.518 6.332 1.00 44.47 H new ATOM 0 HD2 ARG A 488 14.207 8.673 5.761 1.00 46.74 H new ATOM 0 HD3 ARG A 488 12.827 8.247 6.349 1.00 46.74 H new ATOM 0 HE ARG A 488 13.243 8.969 3.762 1.00 44.10 H new ATOM 0 HH11 ARG A 488 10.835 8.197 5.920 1.00 45.90 H new ATOM 0 HH12 ARG A 488 9.830 7.809 4.891 1.00 45.90 H new ATOM 0 HH21 ARG A 488 11.721 8.397 2.253 1.00 45.61 H new ATOM 0 HH22 ARG A 488 10.370 7.933 2.672 1.00 45.61 H new ATOM 231 N ASN A 489 13.710 12.726 8.682 1.00 40.45 N ATOM 232 CA ASN A 489 14.351 12.833 10.004 1.00 41.06 C ATOM 233 C ASN A 489 15.050 11.562 10.422 1.00 40.45 C ATOM 234 O ASN A 489 14.500 10.488 10.229 1.00 39.56 O ATOM 235 CB ASN A 489 13.320 13.175 11.057 1.00 41.60 C ATOM 236 CG ASN A 489 12.730 14.523 10.835 1.00 44.86 C ATOM 237 OD1 ASN A 489 13.363 15.384 10.205 1.00 47.54 O ATOM 238 ND2 ASN A 489 11.502 14.728 11.311 1.00 46.46 N ATOM 0 H ASN A 489 12.882 12.496 8.710 1.00 40.45 H new ATOM 0 HA ASN A 489 15.017 13.534 9.927 1.00 41.06 H new ATOM 0 HB2 ASN A 489 12.616 12.508 11.049 1.00 41.60 H new ATOM 0 HB3 ASN A 489 13.731 13.142 11.935 1.00 41.60 H new ATOM 0 HD21 ASN A 489 11.113 15.485 11.186 1.00 46.46 H new ATOM 0 HD22 ASN A 489 11.098 14.103 11.743 1.00 46.46 H new ATOM 239 N ILE A 490 16.245 11.678 11.004 1.00 40.03 N ATOM 240 CA ILE A 490 16.992 10.474 11.412 1.00 40.11 C ATOM 241 C ILE A 490 16.257 9.697 12.525 1.00 40.19 C ATOM 242 O ILE A 490 16.405 8.467 12.640 1.00 39.61 O ATOM 243 CB ILE A 490 18.476 10.784 11.775 1.00 40.12 C ATOM 244 CG1 ILE A 490 19.319 9.524 11.708 1.00 40.47 C ATOM 245 CG2 ILE A 490 18.597 11.501 13.145 1.00 41.65 C ATOM 246 CD1 ILE A 490 20.843 9.720 11.895 1.00 41.11 C ATOM 0 H ILE A 490 16.638 12.425 11.171 1.00 40.03 H new ATOM 0 HA ILE A 490 17.027 9.889 10.639 1.00 40.11 H new ATOM 0 HB ILE A 490 18.823 11.403 11.113 1.00 40.12 H new ATOM 0 HG12 ILE A 490 19.004 8.908 12.388 1.00 40.47 H new ATOM 0 HG13 ILE A 490 19.168 9.100 10.849 1.00 40.47 H new ATOM 0 HG21 ILE A 490 19.531 11.677 13.337 1.00 41.65 H new ATOM 0 HG22 ILE A 490 18.110 12.339 13.116 1.00 41.65 H new ATOM 0 HG23 ILE A 490 18.226 10.936 13.840 1.00 41.65 H new ATOM 0 HD11 ILE A 490 21.290 8.861 11.836 1.00 41.11 H new ATOM 0 HD12 ILE A 490 21.181 10.308 11.202 1.00 41.11 H new ATOM 0 HD13 ILE A 490 21.015 10.114 12.765 1.00 41.11 H new ATOM 247 N GLU A 491 15.461 10.422 13.318 1.00 39.70 N ATOM 248 CA GLU A 491 14.629 9.846 14.363 1.00 41.06 C ATOM 249 C GLU A 491 13.572 8.913 13.800 1.00 41.51 C ATOM 250 O GLU A 491 13.051 8.072 14.531 1.00 41.86 O ATOM 251 CB GLU A 491 13.899 10.937 15.182 1.00 41.04 C ATOM 252 CG GLU A 491 14.827 11.899 15.914 1.00 43.16 C ATOM 253 CD GLU A 491 15.310 13.103 15.056 1.00 47.67 C ATOM 254 OE1 GLU A 491 15.039 13.201 13.816 1.00 44.99 O ATOM 255 OE2 GLU A 491 15.957 13.984 15.668 1.00 50.38 O ATOM 0 H GLU A 491 15.393 11.277 13.257 1.00 39.70 H new ATOM 0 HA GLU A 491 15.237 9.350 14.934 1.00 41.06 H new ATOM 0 HB2 GLU A 491 13.328 11.446 14.586 1.00 41.04 H new ATOM 0 HB3 GLU A 491 13.320 10.507 15.830 1.00 41.04 H new ATOM 0 HG2 GLU A 491 14.369 12.238 16.699 1.00 43.16 H new ATOM 0 HG3 GLU A 491 15.602 11.408 16.228 1.00 43.16 H new ATOM 256 N ASP A 492 13.236 9.084 12.521 1.00 41.02 N ATOM 257 CA ASP A 492 12.171 8.306 11.895 1.00 41.58 C ATOM 258 C ASP A 492 12.658 7.074 11.113 1.00 41.09 C ATOM 259 O ASP A 492 11.872 6.421 10.439 1.00 40.84 O ATOM 260 CB ASP A 492 11.332 9.219 10.972 1.00 42.66 C ATOM 261 CG ASP A 492 10.588 10.310 11.743 1.00 44.69 C ATOM 262 OD1 ASP A 492 10.154 10.070 12.886 1.00 46.22 O ATOM 263 OD2 ASP A 492 10.441 11.415 11.206 1.00 50.74 O ATOM 0 H ASP A 492 13.617 9.650 11.997 1.00 41.02 H new ATOM 0 HA ASP A 492 11.630 7.959 12.622 1.00 41.58 H new ATOM 0 HB2 ASP A 492 11.914 9.632 10.315 1.00 42.66 H new ATOM 0 HB3 ASP A 492 10.691 8.679 10.484 1.00 42.66 H new ATOM 264 N ILE A 493 13.944 6.753 11.194 1.00 40.51 N ATOM 265 CA ILE A 493 14.449 5.554 10.549 1.00 40.81 C ATOM 266 C ILE A 493 15.210 4.747 11.582 1.00 40.64 C ATOM 267 O ILE A 493 15.728 5.307 12.555 1.00 40.86 O ATOM 268 CB ILE A 493 15.385 5.887 9.335 1.00 40.81 C ATOM 269 CG1 ILE A 493 16.739 6.408 9.803 1.00 42.08 C ATOM 270 CG2 ILE A 493 14.764 6.962 8.429 1.00 39.87 C ATOM 271 CD1 ILE A 493 17.831 6.549 8.661 1.00 43.25 C ATOM 0 H ILE A 493 14.535 7.214 11.615 1.00 40.51 H new ATOM 0 HA ILE A 493 13.699 5.049 10.198 1.00 40.81 H new ATOM 0 HB ILE A 493 15.497 5.058 8.844 1.00 40.81 H new ATOM 0 HG12 ILE A 493 16.611 7.275 10.219 1.00 42.08 H new ATOM 0 HG13 ILE A 493 17.081 5.812 10.488 1.00 42.08 H new ATOM 0 HG21 ILE A 493 15.363 7.147 7.689 1.00 39.87 H new ATOM 0 HG22 ILE A 493 13.914 6.644 8.085 1.00 39.87 H new ATOM 0 HG23 ILE A 493 14.622 7.774 8.940 1.00 39.87 H new ATOM 0 HD11 ILE A 493 18.657 6.885 9.043 1.00 43.25 H new ATOM 0 HD12 ILE A 493 17.991 5.682 8.257 1.00 43.25 H new ATOM 0 HD13 ILE A 493 17.514 7.167 7.984 1.00 43.25 H new ATOM 272 N CYS A 494 15.287 3.433 11.375 1.00 39.94 N ATOM 273 CA CYS A 494 16.154 2.593 12.156 1.00 39.13 C ATOM 274 C CYS A 494 17.593 2.840 11.688 1.00 39.73 C ATOM 275 O CYS A 494 17.957 2.495 10.567 1.00 38.95 O ATOM 276 CB CYS A 494 15.762 1.123 12.022 1.00 38.32 C ATOM 277 SG CYS A 494 16.812 0.036 13.015 1.00 38.72 S ATOM 0 H CYS A 494 14.834 3.015 10.776 1.00 39.94 H new ATOM 0 HA CYS A 494 16.075 2.811 13.098 1.00 39.13 H new ATOM 0 HB2 CYS A 494 14.837 1.011 12.293 1.00 38.32 H new ATOM 0 HB3 CYS A 494 15.818 0.860 11.090 1.00 38.32 H new ATOM 278 N ILE A 495 18.421 3.446 12.551 1.00 41.01 N ATOM 279 CA ILE A 495 19.781 3.785 12.136 1.00 41.74 C ATOM 280 C ILE A 495 20.647 2.525 11.990 1.00 41.61 C ATOM 281 O ILE A 495 21.757 2.567 11.408 1.00 41.55 O ATOM 282 CB ILE A 495 20.456 4.828 13.079 1.00 42.79 C ATOM 283 CG1 ILE A 495 20.460 4.351 14.534 1.00 45.00 C ATOM 284 CG2 ILE A 495 19.747 6.168 12.958 1.00 42.84 C ATOM 285 CD1 ILE A 495 21.543 5.043 15.372 1.00 48.38 C ATOM 0 H ILE A 495 18.218 3.662 13.358 1.00 41.01 H new ATOM 0 HA ILE A 495 19.708 4.206 11.265 1.00 41.74 H new ATOM 0 HB ILE A 495 21.381 4.930 12.805 1.00 42.79 H new ATOM 0 HG12 ILE A 495 19.591 4.520 14.930 1.00 45.00 H new ATOM 0 HG13 ILE A 495 20.600 3.391 14.557 1.00 45.00 H new ATOM 0 HG21 ILE A 495 20.170 6.813 13.546 1.00 42.84 H new ATOM 0 HG22 ILE A 495 19.802 6.482 12.042 1.00 42.84 H new ATOM 0 HG23 ILE A 495 18.816 6.065 13.209 1.00 42.84 H new ATOM 0 HD11 ILE A 495 21.509 4.711 16.283 1.00 48.38 H new ATOM 0 HD12 ILE A 495 22.416 4.855 14.993 1.00 48.38 H new ATOM 0 HD13 ILE A 495 21.390 6.001 15.371 1.00 48.38 H new ATOM 286 N SER A 496 20.113 1.407 12.479 1.00 40.75 N ATOM 287 CA ASER A 496 20.818 0.145 12.398 0.70 41.49 C ATOM 288 CA BSER A 496 20.790 0.117 12.422 0.30 40.93 C ATOM 289 C SER A 496 20.550 -0.575 11.076 1.00 41.48 C ATOM 290 O SER A 496 21.477 -1.020 10.447 1.00 42.28 O ATOM 291 CB ASER A 496 20.459 -0.753 13.586 0.70 41.78 C ATOM 292 CB BSER A 496 20.334 -0.793 13.580 0.30 40.87 C ATOM 293 OG ASER A 496 20.815 -2.085 13.283 0.70 44.20 O ATOM 294 OG BSER A 496 20.649 -0.255 14.855 0.30 39.02 O ATOM 0 H ASER A 496 19.343 1.365 12.860 0.70 40.75 H new ATOM 0 H BSER A 496 19.341 1.378 12.856 0.30 40.75 H new ATOM 0 HA ASER A 496 21.767 0.341 12.433 0.70 40.93 H new ATOM 0 HA BSER A 496 21.742 0.280 12.514 0.30 40.93 H new ATOM 0 HB2ASER A 496 20.925 -0.455 14.383 0.70 40.87 H new ATOM 0 HB2BSER A 496 19.376 -0.932 13.519 0.30 40.87 H new ATOM 0 HB3ASER A 496 19.509 -0.695 13.774 0.70 40.87 H new ATOM 0 HB3BSER A 496 20.753 -1.663 13.487 0.30 40.87 H new ATOM 0 HG ASER A 496 20.122 -2.559 13.245 0.70 39.02 H new ATOM 0 HG BSER A 496 21.483 -0.231 14.951 0.30 39.02 H new ATOM 295 N CYS A 497 19.285 -0.691 10.636 1.00 41.21 N ATOM 296 CA CYS A 497 19.028 -1.415 9.378 1.00 40.70 C ATOM 297 C CYS A 497 18.288 -0.609 8.303 1.00 41.24 C ATOM 298 O CYS A 497 18.161 -1.077 7.177 1.00 41.58 O ATOM 299 CB CYS A 497 18.239 -2.700 9.654 1.00 41.12 C ATOM 300 SG CYS A 497 16.487 -2.372 10.054 1.00 39.17 S ATOM 0 H CYS A 497 18.590 -0.373 11.031 1.00 41.21 H new ATOM 0 HA CYS A 497 19.910 -1.606 9.022 1.00 40.70 H new ATOM 0 HB2 CYS A 497 18.288 -3.279 8.877 1.00 41.12 H new ATOM 0 HB3 CYS A 497 18.652 -3.178 10.390 1.00 41.12 H new ATOM 301 N GLY A 498 17.785 0.579 8.644 1.00 41.27 N ATOM 302 CA GLY A 498 17.046 1.407 7.683 1.00 40.63 C ATOM 303 C GLY A 498 15.547 1.201 7.646 1.00 40.94 C ATOM 304 O GLY A 498 14.847 1.863 6.891 1.00 41.97 O ATOM 0 H GLY A 498 17.860 0.925 9.428 1.00 41.27 H new ATOM 0 HA2 GLY A 498 17.222 2.340 7.884 1.00 40.63 H new ATOM 0 HA3 GLY A 498 17.400 1.236 6.796 1.00 40.63 H new ATOM 305 N SER A 499 15.029 0.288 8.451 1.00 40.90 N ATOM 306 CA SER A 499 13.588 0.073 8.508 1.00 40.53 C ATOM 307 C SER A 499 12.931 1.370 8.907 1.00 40.87 C ATOM 308 O SER A 499 13.503 2.146 9.706 1.00 39.65 O ATOM 309 CB SER A 499 13.246 -0.987 9.552 1.00 40.92 C ATOM 310 OG SER A 499 11.855 -1.033 9.795 1.00 41.23 O ATOM 0 H SER A 499 15.490 -0.218 8.972 1.00 40.90 H new ATOM 0 HA SER A 499 13.275 -0.226 7.640 1.00 40.53 H new ATOM 0 HB2 SER A 499 13.553 -1.855 9.248 1.00 40.92 H new ATOM 0 HB3 SER A 499 13.715 -0.794 10.379 1.00 40.92 H new ATOM 0 HG SER A 499 11.709 -0.907 10.613 1.00 41.23 H new ATOM 311 N LEU A 500 11.728 1.585 8.358 1.00 40.62 N ATOM 312 CA LEU A 500 10.876 2.698 8.719 1.00 40.91 C ATOM 313 C LEU A 500 9.903 2.317 9.820 1.00 41.31 C ATOM 314 O LEU A 500 9.139 3.178 10.301 1.00 41.16 O ATOM 315 CB LEU A 500 10.102 3.238 7.492 1.00 41.27 C ATOM 316 CG LEU A 500 10.932 3.860 6.365 1.00 41.21 C ATOM 317 CD1 LEU A 500 10.049 4.353 5.196 1.00 40.61 C ATOM 318 CD2 LEU A 500 11.851 4.978 6.852 1.00 41.62 C ATOM 0 H LEU A 500 11.389 1.073 7.756 1.00 40.62 H new ATOM 0 HA LEU A 500 11.455 3.402 9.051 1.00 40.91 H new ATOM 0 HB2 LEU A 500 9.584 2.508 7.117 1.00 41.27 H new ATOM 0 HB3 LEU A 500 9.470 3.904 7.804 1.00 41.27 H new ATOM 0 HG LEU A 500 11.498 3.145 6.034 1.00 41.21 H new ATOM 0 HD11 LEU A 500 10.611 4.739 4.506 1.00 40.61 H new ATOM 0 HD12 LEU A 500 9.552 3.606 4.828 1.00 40.61 H new ATOM 0 HD13 LEU A 500 9.429 5.025 5.520 1.00 40.61 H new ATOM 0 HD21 LEU A 500 12.351 5.336 6.102 1.00 41.62 H new ATOM 0 HD22 LEU A 500 11.319 5.684 7.251 1.00 41.62 H new ATOM 0 HD23 LEU A 500 12.467 4.626 7.513 1.00 41.62 H new ATOM 319 N ASN A 501 9.906 1.042 10.212 1.00 41.67 N ATOM 320 CA ASN A 501 9.050 0.597 11.319 1.00 42.74 C ATOM 321 C ASN A 501 9.747 0.850 12.659 1.00 42.79 C ATOM 322 O ASN A 501 10.107 -0.076 13.373 1.00 42.28 O ATOM 323 CB ASN A 501 8.624 -0.873 11.191 1.00 43.31 C ATOM 324 CG ASN A 501 7.510 -1.254 12.188 1.00 45.95 C ATOM 325 OD1 ASN A 501 6.674 -0.421 12.565 1.00 48.43 O ATOM 326 ND2 ASN A 501 7.496 -2.514 12.612 1.00 48.51 N ATOM 0 H ASN A 501 10.389 0.425 9.857 1.00 41.67 H new ATOM 0 HA ASN A 501 8.235 1.121 11.279 1.00 42.74 H new ATOM 0 HB2 ASN A 501 8.315 -1.040 10.287 1.00 43.31 H new ATOM 0 HB3 ASN A 501 9.394 -1.444 11.338 1.00 43.31 H new ATOM 0 HD21 ASN A 501 6.893 -2.774 13.167 1.00 48.51 H new ATOM 0 HD22 ASN A 501 8.090 -3.069 12.332 1.00 48.51 H new ATOM 327 N VAL A 502 9.936 2.133 12.961 1.00 42.88 N ATOM 328 CA VAL A 502 10.586 2.589 14.163 1.00 42.64 C ATOM 329 C VAL A 502 9.609 2.521 15.328 1.00 42.85 C ATOM 330 O VAL A 502 8.513 3.092 15.269 1.00 43.25 O ATOM 331 CB VAL A 502 11.161 4.000 13.950 1.00 42.54 C ATOM 332 CG1 VAL A 502 11.524 4.670 15.267 1.00 42.02 C ATOM 333 CG2 VAL A 502 12.368 3.903 13.073 1.00 42.72 C ATOM 0 H VAL A 502 9.678 2.774 12.450 1.00 42.88 H new ATOM 0 HA VAL A 502 11.334 2.011 14.379 1.00 42.64 H new ATOM 0 HB VAL A 502 10.481 4.548 13.528 1.00 42.54 H new ATOM 0 HG11 VAL A 502 11.882 5.555 15.092 1.00 42.02 H new ATOM 0 HG12 VAL A 502 10.731 4.746 15.821 1.00 42.02 H new ATOM 0 HG13 VAL A 502 12.191 4.137 15.728 1.00 42.02 H new ATOM 0 HG21 VAL A 502 12.738 4.789 12.933 1.00 42.72 H new ATOM 0 HG22 VAL A 502 13.033 3.339 13.498 1.00 42.72 H new ATOM 0 HG23 VAL A 502 12.117 3.519 12.218 1.00 42.72 H new ATOM 334 N THR A 503 10.005 1.784 16.367 1.00 42.81 N ATOM 335 CA THR A 503 9.174 1.606 17.552 1.00 43.25 C ATOM 336 C THR A 503 9.901 2.047 18.807 1.00 43.51 C ATOM 337 O THR A 503 9.337 1.969 19.891 1.00 43.83 O ATOM 338 CB THR A 503 8.720 0.139 17.746 1.00 43.40 C ATOM 339 OG1 THR A 503 9.845 -0.747 17.607 1.00 42.95 O ATOM 340 CG2 THR A 503 7.610 -0.225 16.740 1.00 43.59 C ATOM 0 H THR A 503 10.761 1.376 16.402 1.00 42.81 H new ATOM 0 HA THR A 503 8.391 2.160 17.406 1.00 43.25 H new ATOM 0 HB THR A 503 8.357 0.041 18.640 1.00 43.40 H new ATOM 0 HG1 THR A 503 9.592 -1.541 17.715 1.00 42.95 H new ATOM 0 HG21 THR A 503 7.339 -1.146 16.876 1.00 43.59 H new ATOM 0 HG22 THR A 503 6.847 0.359 16.874 1.00 43.59 H new ATOM 0 HG23 THR A 503 7.944 -0.117 15.836 1.00 43.59 H new ATOM 341 N LEU A 504 11.149 2.491 18.662 1.00 43.12 N ATOM 342 CA LEU A 504 11.887 3.033 19.799 1.00 43.33 C ATOM 343 C LEU A 504 13.048 3.933 19.403 1.00 42.58 C ATOM 344 O LEU A 504 13.385 4.062 18.244 1.00 42.91 O ATOM 345 CB LEU A 504 12.294 1.936 20.820 1.00 44.38 C ATOM 346 CG LEU A 504 13.105 0.626 20.629 1.00 45.79 C ATOM 347 CD1 LEU A 504 12.679 -0.273 19.479 1.00 45.39 C ATOM 348 CD2 LEU A 504 14.578 0.912 20.543 1.00 48.02 C ATOM 0 H LEU A 504 11.583 2.487 17.919 1.00 43.12 H new ATOM 0 HA LEU A 504 11.263 3.617 20.257 1.00 43.33 H new ATOM 0 HB2 LEU A 504 12.774 2.417 21.512 1.00 44.38 H new ATOM 0 HB3 LEU A 504 11.454 1.645 21.208 1.00 44.38 H new ATOM 0 HG LEU A 504 12.900 0.114 21.427 1.00 45.79 H new ATOM 0 HD11 LEU A 504 13.249 -1.057 19.453 1.00 45.39 H new ATOM 0 HD12 LEU A 504 11.758 -0.548 19.607 1.00 45.39 H new ATOM 0 HD13 LEU A 504 12.758 0.212 18.643 1.00 45.39 H new ATOM 0 HD21 LEU A 504 15.063 0.080 20.424 1.00 48.02 H new ATOM 0 HD22 LEU A 504 14.751 1.497 19.789 1.00 48.02 H new ATOM 0 HD23 LEU A 504 14.872 1.343 21.360 1.00 48.02 H new ATOM 349 N GLU A 505 13.609 4.612 20.383 1.00 42.26 N ATOM 350 CA GLU A 505 14.751 5.481 20.175 1.00 41.93 C ATOM 351 C GLU A 505 16.048 4.701 20.419 1.00 40.77 C ATOM 352 O GLU A 505 16.170 4.008 21.417 1.00 40.37 O ATOM 353 CB GLU A 505 14.643 6.665 21.132 1.00 42.19 C ATOM 354 CG GLU A 505 13.438 7.551 20.778 1.00 45.25 C ATOM 355 CD GLU A 505 13.294 8.727 21.696 1.00 50.03 C ATOM 356 OE1 GLU A 505 14.151 8.879 22.593 1.00 53.28 O ATOM 357 OE2 GLU A 505 12.319 9.496 21.543 1.00 52.88 O ATOM 0 H GLU A 505 13.336 4.582 21.198 1.00 42.26 H new ATOM 0 HA GLU A 505 14.763 5.807 19.262 1.00 41.93 H new ATOM 0 HB2 GLU A 505 14.555 6.342 22.043 1.00 42.19 H new ATOM 0 HB3 GLU A 505 15.457 7.191 21.095 1.00 42.19 H new ATOM 0 HG2 GLU A 505 13.531 7.867 19.866 1.00 45.25 H new ATOM 0 HG3 GLU A 505 12.628 7.018 20.812 1.00 45.25 H new ATOM 358 N HIS A 506 17.002 4.805 19.502 1.00 39.43 N ATOM 359 CA HIS A 506 18.295 4.189 19.704 1.00 38.44 C ATOM 360 C HIS A 506 18.876 4.787 20.975 1.00 37.96 C ATOM 361 O HIS A 506 18.830 6.026 21.128 1.00 38.16 O ATOM 362 CB HIS A 506 19.220 4.486 18.520 1.00 38.50 C ATOM 363 CG HIS A 506 20.431 3.613 18.487 1.00 37.66 C ATOM 364 ND1 HIS A 506 21.515 3.818 19.312 1.00 39.69 N ATOM 365 CD2 HIS A 506 20.722 2.513 17.751 1.00 39.32 C ATOM 366 CE1 HIS A 506 22.433 2.894 19.070 1.00 39.74 C ATOM 367 NE2 HIS A 506 21.973 2.085 18.132 1.00 39.19 N ATOM 0 H HIS A 506 16.916 5.228 18.758 1.00 39.43 H new ATOM 0 HA HIS A 506 18.207 3.226 19.777 1.00 38.44 H new ATOM 0 HB2 HIS A 506 18.725 4.373 17.694 1.00 38.50 H new ATOM 0 HB3 HIS A 506 19.499 5.414 18.559 1.00 38.50 H new ATOM 0 HD2 HIS A 506 20.177 2.120 17.108 1.00 39.32 H new ATOM 0 HE1 HIS A 506 23.260 2.826 19.489 1.00 39.74 H new ATOM 0 HE2 HIS A 506 22.388 1.403 17.812 1.00 39.19 H new ATOM 368 N PRO A 507 19.411 3.939 21.896 1.00 36.76 N ATOM 369 CA PRO A 507 19.870 4.482 23.195 1.00 35.90 C ATOM 370 C PRO A 507 21.221 5.240 23.178 1.00 35.49 C ATOM 371 O PRO A 507 21.510 5.986 24.102 1.00 34.54 O ATOM 372 CB PRO A 507 19.975 3.228 24.075 1.00 35.41 C ATOM 373 CG PRO A 507 20.392 2.155 23.116 1.00 34.82 C ATOM 374 CD PRO A 507 19.642 2.482 21.812 1.00 36.40 C ATOM 0 HA PRO A 507 19.252 5.163 23.504 1.00 35.90 H new ATOM 0 HB2 PRO A 507 20.626 3.344 24.785 1.00 35.41 H new ATOM 0 HB3 PRO A 507 19.128 3.018 24.499 1.00 35.41 H new ATOM 0 HG2 PRO A 507 21.352 2.158 22.980 1.00 34.82 H new ATOM 0 HG3 PRO A 507 20.155 1.275 23.447 1.00 34.82 H new ATOM 0 HD2 PRO A 507 20.168 2.249 21.031 1.00 36.40 H new ATOM 0 HD3 PRO A 507 18.807 1.992 21.749 1.00 36.40 H new ATOM 375 N LEU A 508 22.027 5.080 22.134 1.00 35.12 N ATOM 376 CA LEU A 508 23.361 5.687 22.136 1.00 35.19 C ATOM 377 C LEU A 508 23.441 6.920 21.256 1.00 36.02 C ATOM 378 O LEU A 508 24.151 7.873 21.591 1.00 35.65 O ATOM 379 CB LEU A 508 24.406 4.692 21.626 1.00 35.22 C ATOM 380 CG LEU A 508 24.680 3.447 22.462 1.00 35.09 C ATOM 381 CD1 LEU A 508 25.850 2.643 21.844 1.00 33.20 C ATOM 382 CD2 LEU A 508 24.960 3.859 23.873 1.00 30.60 C ATOM 0 H LEU A 508 21.830 4.634 21.426 1.00 35.12 H new ATOM 0 HA LEU A 508 23.537 5.940 23.056 1.00 35.19 H new ATOM 0 HB2 LEU A 508 24.132 4.401 20.742 1.00 35.22 H new ATOM 0 HB3 LEU A 508 25.244 5.169 21.521 1.00 35.22 H new ATOM 0 HG LEU A 508 23.904 2.865 22.467 1.00 35.09 H new ATOM 0 HD11 LEU A 508 26.019 1.853 22.381 1.00 33.20 H new ATOM 0 HD12 LEU A 508 25.618 2.376 20.941 1.00 33.20 H new ATOM 0 HD13 LEU A 508 26.647 3.195 21.823 1.00 33.20 H new ATOM 0 HD21 LEU A 508 25.135 3.072 24.412 1.00 30.60 H new ATOM 0 HD22 LEU A 508 25.735 4.443 23.892 1.00 30.60 H new ATOM 0 HD23 LEU A 508 24.192 4.330 24.231 1.00 30.60 H new ATOM 383 N PHE A 509 22.748 6.861 20.115 1.00 35.82 N ATOM 384 CA PHE A 509 22.802 7.893 19.108 1.00 37.19 C ATOM 385 C PHE A 509 21.410 8.354 18.751 1.00 37.45 C ATOM 386 O PHE A 509 20.452 7.577 18.807 1.00 38.05 O ATOM 387 CB PHE A 509 23.507 7.377 17.840 1.00 37.26 C ATOM 388 CG PHE A 509 24.913 6.955 18.077 1.00 37.33 C ATOM 389 CD1 PHE A 509 25.901 7.910 18.306 1.00 38.71 C ATOM 390 CD2 PHE A 509 25.256 5.616 18.083 1.00 37.37 C ATOM 391 CE1 PHE A 509 27.217 7.531 18.548 1.00 39.35 C ATOM 392 CE2 PHE A 509 26.566 5.215 18.343 1.00 37.06 C ATOM 393 CZ PHE A 509 27.548 6.172 18.572 1.00 38.46 C ATOM 0 H PHE A 509 22.229 6.206 19.912 1.00 35.82 H new ATOM 0 HA PHE A 509 23.305 8.639 19.471 1.00 37.19 H new ATOM 0 HB2 PHE A 509 23.007 6.627 17.483 1.00 37.26 H new ATOM 0 HB3 PHE A 509 23.495 8.073 17.165 1.00 37.26 H new ATOM 0 HD1 PHE A 509 25.678 8.813 18.297 1.00 38.71 H new ATOM 0 HD2 PHE A 509 24.605 4.974 17.911 1.00 37.37 H new ATOM 0 HE1 PHE A 509 27.872 8.176 18.693 1.00 39.35 H new ATOM 0 HE2 PHE A 509 26.782 4.311 18.363 1.00 37.06 H new ATOM 0 HZ PHE A 509 28.424 5.909 18.741 1.00 38.46 H new ATOM 394 N VAL A 510 21.305 9.624 18.379 1.00 38.02 N ATOM 395 CA VAL A 510 20.057 10.171 17.903 1.00 37.91 C ATOM 396 C VAL A 510 19.665 9.369 16.651 1.00 38.33 C ATOM 397 O VAL A 510 20.482 9.170 15.720 1.00 38.68 O ATOM 398 CB VAL A 510 20.153 11.688 17.648 1.00 38.57 C ATOM 399 CG1 VAL A 510 18.796 12.257 17.206 1.00 39.23 C ATOM 400 CG2 VAL A 510 20.590 12.420 18.924 1.00 37.77 C ATOM 0 H VAL A 510 21.956 10.186 18.398 1.00 38.02 H new ATOM 0 HA VAL A 510 19.363 10.085 18.575 1.00 37.91 H new ATOM 0 HB VAL A 510 20.808 11.824 16.945 1.00 38.57 H new ATOM 0 HG11 VAL A 510 18.880 13.211 17.051 1.00 39.23 H new ATOM 0 HG12 VAL A 510 18.513 11.821 16.387 1.00 39.23 H new ATOM 0 HG13 VAL A 510 18.137 12.099 17.900 1.00 39.23 H new ATOM 0 HG21 VAL A 510 20.646 13.372 18.748 1.00 37.77 H new ATOM 0 HG22 VAL A 510 19.942 12.259 19.628 1.00 37.77 H new ATOM 0 HG23 VAL A 510 21.459 12.092 19.204 1.00 37.77 H new ATOM 401 N GLY A 511 18.431 8.874 16.657 1.00 37.40 N ATOM 402 CA GLY A 511 17.905 8.102 15.554 1.00 37.85 C ATOM 403 C GLY A 511 16.952 7.069 16.097 1.00 38.29 C ATOM 404 O GLY A 511 16.912 6.833 17.320 1.00 38.38 O ATOM 0 H GLY A 511 17.878 8.981 17.307 1.00 37.40 H new ATOM 0 HA2 GLY A 511 17.449 8.682 14.925 1.00 37.85 H new ATOM 0 HA3 GLY A 511 18.627 7.672 15.070 1.00 37.85 H new ATOM 405 N GLY A 512 16.178 6.458 15.208 1.00 38.15 N ATOM 406 CA GLY A 512 15.224 5.446 15.618 1.00 38.54 C ATOM 407 C GLY A 512 15.813 4.046 15.647 1.00 39.16 C ATOM 408 O GLY A 512 16.959 3.833 15.278 1.00 39.04 O ATOM 0 H GLY A 512 16.192 6.617 14.363 1.00 38.15 H new ATOM 0 HA2 GLY A 512 14.886 5.667 16.500 1.00 38.54 H new ATOM 0 HA3 GLY A 512 14.466 5.460 15.012 1.00 38.54 H new ATOM 409 N MET A 513 15.016 3.087 16.095 1.00 39.38 N ATOM 410 CA MET A 513 15.439 1.715 16.088 1.00 40.75 C ATOM 411 C MET A 513 14.199 0.857 15.919 1.00 38.78 C ATOM 412 O MET A 513 13.165 1.186 16.483 1.00 38.35 O ATOM 413 CB MET A 513 16.142 1.392 17.411 1.00 40.51 C ATOM 414 CG MET A 513 16.888 0.068 17.403 1.00 41.98 C ATOM 415 SD MET A 513 17.929 -0.119 18.886 1.00 46.22 S ATOM 416 CE MET A 513 19.293 -0.992 18.137 1.00 43.49 C ATOM 0 H MET A 513 14.225 3.219 16.407 1.00 39.38 H new ATOM 0 HA MET A 513 16.063 1.544 15.365 1.00 40.75 H new ATOM 0 HB2 MET A 513 16.767 2.104 17.618 1.00 40.51 H new ATOM 0 HB3 MET A 513 15.483 1.378 18.123 1.00 40.51 H new ATOM 0 HG2 MET A 513 16.252 -0.663 17.358 1.00 41.98 H new ATOM 0 HG3 MET A 513 17.441 0.012 16.608 1.00 41.98 H new ATOM 0 HE1 MET A 513 19.966 -1.180 18.810 1.00 43.49 H new ATOM 0 HE2 MET A 513 18.974 -1.826 17.758 1.00 43.49 H new ATOM 0 HE3 MET A 513 19.681 -0.446 17.436 1.00 43.49 H new ATOM 417 N CYS A 514 14.280 -0.207 15.124 1.00 37.62 N ATOM 418 CA CYS A 514 13.159 -1.167 15.053 1.00 38.02 C ATOM 419 C CYS A 514 13.305 -2.244 16.122 1.00 38.32 C ATOM 420 O CYS A 514 14.396 -2.427 16.688 1.00 37.16 O ATOM 421 CB CYS A 514 13.038 -1.808 13.664 1.00 37.57 C ATOM 422 SG CYS A 514 14.410 -2.933 13.216 1.00 40.09 S ATOM 0 H CYS A 514 14.955 -0.396 14.625 1.00 37.62 H new ATOM 0 HA CYS A 514 12.343 -0.668 15.217 1.00 38.02 H new ATOM 0 HB2 CYS A 514 12.204 -2.302 13.621 1.00 37.57 H new ATOM 0 HB3 CYS A 514 12.984 -1.103 13.000 1.00 37.57 H new ATOM 423 N GLN A 515 12.200 -2.933 16.419 1.00 39.80 N ATOM 424 CA GLN A 515 12.208 -4.033 17.397 1.00 41.20 C ATOM 425 C GLN A 515 13.239 -5.124 17.079 1.00 41.07 C ATOM 426 O GLN A 515 13.951 -5.539 17.973 1.00 42.59 O ATOM 427 CB GLN A 515 10.801 -4.640 17.596 1.00 41.56 C ATOM 428 CG GLN A 515 10.686 -5.580 18.815 1.00 43.94 C ATOM 429 CD GLN A 515 11.041 -4.887 20.131 1.00 48.46 C ATOM 430 OE1 GLN A 515 10.455 -3.851 20.468 1.00 51.19 O ATOM 431 NE2 GLN A 515 12.024 -5.441 20.869 1.00 48.25 N ATOM 0 H GLN A 515 11.431 -2.780 16.065 1.00 39.80 H new ATOM 0 HA GLN A 515 12.483 -3.631 18.236 1.00 41.20 H new ATOM 0 HB2 GLN A 515 10.159 -3.919 17.694 1.00 41.56 H new ATOM 0 HB3 GLN A 515 10.555 -5.131 16.797 1.00 41.56 H new ATOM 0 HG2 GLN A 515 9.781 -5.924 18.869 1.00 43.94 H new ATOM 0 HG3 GLN A 515 11.272 -6.342 18.687 1.00 43.94 H new ATOM 0 HE21 GLN A 515 12.408 -6.162 20.601 1.00 48.25 H new ATOM 0 HE22 GLN A 515 12.267 -5.073 21.607 1.00 48.25 H new ATOM 432 N ASN A 516 13.328 -5.561 15.822 1.00 41.10 N ATOM 433 CA AASN A 516 14.291 -6.595 15.422 0.70 41.21 C ATOM 434 CA BASN A 516 14.273 -6.597 15.408 0.30 40.70 C ATOM 435 C ASN A 516 15.720 -6.193 15.681 1.00 40.96 C ATOM 436 O ASN A 516 16.541 -7.017 16.086 1.00 41.70 O ATOM 437 CB AASN A 516 14.181 -6.927 13.936 0.70 41.88 C ATOM 438 CB BASN A 516 14.084 -6.933 13.918 0.30 40.58 C ATOM 439 CG AASN A 516 15.365 -7.762 13.444 0.70 44.36 C ATOM 440 CG BASN A 516 12.807 -7.739 13.637 0.30 39.87 C ATOM 441 OD1AASN A 516 15.521 -8.935 13.835 0.70 46.70 O ATOM 442 OD1BASN A 516 12.307 -8.467 14.499 0.30 38.30 O ATOM 443 ND2AASN A 516 16.225 -7.151 12.613 0.70 44.36 N ATOM 444 ND2BASN A 516 12.288 -7.615 12.418 0.30 37.65 N ATOM 0 H AASN A 516 12.836 -5.270 15.179 0.70 41.10 H new ATOM 0 H BASN A 516 12.838 -5.262 15.182 0.30 41.10 H new ATOM 0 HA AASN A 516 14.065 -7.367 15.964 0.70 40.70 H new ATOM 0 HA BASN A 516 14.086 -7.388 15.938 0.30 40.70 H new ATOM 0 HB2AASN A 516 13.356 -7.411 13.774 0.70 40.58 H new ATOM 0 HB2BASN A 516 14.058 -6.109 13.407 0.30 40.58 H new ATOM 0 HB3AASN A 516 14.132 -6.104 13.425 0.70 40.58 H new ATOM 0 HB3BASN A 516 14.852 -7.436 13.606 0.30 40.58 H new ATOM 0 HD21AASN A 516 16.919 -7.571 12.328 0.70 37.65 H new ATOM 0 HD21BASN A 516 11.578 -8.051 12.207 0.30 37.65 H new ATOM 0 HD22AASN A 516 16.082 -6.340 12.366 0.70 37.65 H new ATOM 0 HD22BASN A 516 12.663 -7.098 11.842 0.30 37.65 H new ATOM 445 N CYS A 517 16.039 -4.929 15.428 1.00 40.73 N ATOM 446 CA CYS A 517 17.373 -4.447 15.716 1.00 40.30 C ATOM 447 C CYS A 517 17.594 -4.344 17.197 1.00 40.20 C ATOM 448 O CYS A 517 18.678 -4.692 17.681 1.00 40.20 O ATOM 449 CB CYS A 517 17.665 -3.145 15.011 1.00 39.31 C ATOM 450 SG CYS A 517 18.030 -3.499 13.283 1.00 40.95 S ATOM 0 H CYS A 517 15.503 -4.345 15.094 1.00 40.73 H new ATOM 0 HA CYS A 517 18.004 -5.097 15.368 1.00 40.30 H new ATOM 0 HB2 CYS A 517 16.904 -2.547 15.079 1.00 39.31 H new ATOM 0 HB3 CYS A 517 18.417 -2.697 15.429 1.00 39.31 H new ATOM 451 N LYS A 518 16.570 -3.923 17.930 1.00 40.57 N ATOM 452 CA LYS A 518 16.694 -3.903 19.386 1.00 41.70 C ATOM 453 C LYS A 518 17.077 -5.307 19.874 1.00 41.87 C ATOM 454 O LYS A 518 18.038 -5.462 20.624 1.00 41.86 O ATOM 455 CB LYS A 518 15.435 -3.395 20.096 1.00 40.92 C ATOM 456 CG LYS A 518 15.478 -3.694 21.609 1.00 42.48 C ATOM 457 CD LYS A 518 14.402 -2.993 22.407 1.00 42.38 C ATOM 458 CE LYS A 518 14.554 -3.379 23.886 1.00 45.77 C ATOM 459 NZ LYS A 518 13.807 -2.487 24.798 1.00 47.16 N ATOM 0 H LYS A 518 15.816 -3.652 17.618 1.00 40.57 H new ATOM 0 HA LYS A 518 17.392 -3.269 19.614 1.00 41.70 H new ATOM 0 HB2 LYS A 518 15.347 -2.439 19.957 1.00 40.92 H new ATOM 0 HB3 LYS A 518 14.651 -3.812 19.705 1.00 40.92 H new ATOM 0 HG2 LYS A 518 15.394 -4.651 21.742 1.00 42.48 H new ATOM 0 HG3 LYS A 518 16.346 -3.434 21.956 1.00 42.48 H new ATOM 0 HD2 LYS A 518 14.477 -2.032 22.301 1.00 42.38 H new ATOM 0 HD3 LYS A 518 13.524 -3.246 22.082 1.00 42.38 H new ATOM 0 HE2 LYS A 518 14.246 -4.291 24.010 1.00 45.77 H new ATOM 0 HE3 LYS A 518 15.494 -3.362 24.124 1.00 45.77 H new ATOM 0 HZ1 LYS A 518 13.928 -2.753 25.639 1.00 47.16 H new ATOM 0 HZ2 LYS A 518 14.103 -1.653 24.706 1.00 47.16 H new ATOM 0 HZ3 LYS A 518 12.940 -2.518 24.599 1.00 47.16 H new ATOM 460 N ASN A 519 16.355 -6.324 19.402 1.00 42.40 N ATOM 461 CA ASN A 519 16.666 -7.710 19.763 1.00 42.77 C ATOM 462 C ASN A 519 18.102 -8.123 19.465 1.00 43.08 C ATOM 463 O ASN A 519 18.717 -8.780 20.298 1.00 42.74 O ATOM 464 CB ASN A 519 15.689 -8.683 19.113 1.00 42.80 C ATOM 465 CG ASN A 519 14.267 -8.535 19.653 1.00 44.14 C ATOM 466 OD1 ASN A 519 14.152 -8.011 20.867 1.00 43.22 O flip ATOM 467 ND2 ASN A 519 13.286 -8.873 18.976 1.00 42.73 N flip ATOM 0 H ASN A 519 15.683 -6.234 18.873 1.00 42.40 H new ATOM 0 HA ASN A 519 16.567 -7.750 20.727 1.00 42.77 H new ATOM 0 HB2 ASN A 519 15.684 -8.539 18.154 1.00 42.80 H new ATOM 0 HB3 ASN A 519 15.995 -9.591 19.262 1.00 42.80 H new ATOM 0 HD21 ASN A 519 13.399 -9.209 18.193 1.00 42.73 H new ATOM 0 HD22 ASN A 519 12.492 -8.771 19.289 1.00 42.73 H new ATOM 468 N CYS A 520 18.631 -7.765 18.287 1.00 43.47 N ATOM 469 CA CYS A 520 20.047 -8.052 17.972 1.00 44.79 C ATOM 470 C CYS A 520 21.001 -7.357 18.922 1.00 44.32 C ATOM 471 O CYS A 520 21.972 -7.956 19.364 1.00 43.97 O ATOM 472 CB CYS A 520 20.410 -7.637 16.545 1.00 44.81 C ATOM 473 SG CYS A 520 19.582 -8.683 15.396 1.00 51.24 S ATOM 0 H CYS A 520 18.198 -7.361 17.663 1.00 43.47 H new ATOM 0 HA CYS A 520 20.141 -9.013 18.068 1.00 44.79 H new ATOM 0 HB2 CYS A 520 20.159 -6.712 16.394 1.00 44.81 H new ATOM 0 HB3 CYS A 520 21.370 -7.695 16.416 1.00 44.81 H new ATOM 0 HG CYS A 520 19.867 -8.354 14.278 1.00 51.24 H new ATOM 474 N PHE A 521 20.733 -6.081 19.192 1.00 44.91 N ATOM 475 CA PHE A 521 21.575 -5.258 20.057 1.00 45.48 C ATOM 476 C PHE A 521 21.717 -5.908 21.434 1.00 45.20 C ATOM 477 O PHE A 521 22.823 -5.995 21.975 1.00 44.77 O ATOM 478 CB PHE A 521 20.965 -3.859 20.184 1.00 46.59 C ATOM 479 CG PHE A 521 21.912 -2.793 20.735 1.00 48.50 C ATOM 480 CD1 PHE A 521 22.798 -2.109 19.890 1.00 50.79 C ATOM 481 CD2 PHE A 521 21.880 -2.440 22.075 1.00 50.85 C ATOM 482 CE1 PHE A 521 23.642 -1.104 20.379 1.00 51.81 C ATOM 483 CE2 PHE A 521 22.731 -1.433 22.580 1.00 52.69 C ATOM 484 CZ PHE A 521 23.603 -0.764 21.732 1.00 51.99 C ATOM 0 H PHE A 521 20.050 -5.665 18.875 1.00 44.91 H new ATOM 0 HA PHE A 521 22.459 -5.183 19.665 1.00 45.48 H new ATOM 0 HB2 PHE A 521 20.653 -3.576 19.310 1.00 46.59 H new ATOM 0 HB3 PHE A 521 20.186 -3.911 20.760 1.00 46.59 H new ATOM 0 HD1 PHE A 521 22.826 -2.327 18.986 1.00 50.79 H new ATOM 0 HD2 PHE A 521 21.290 -2.872 22.649 1.00 50.85 H new ATOM 0 HE1 PHE A 521 24.226 -0.665 19.804 1.00 51.81 H new ATOM 0 HE2 PHE A 521 22.707 -1.217 23.484 1.00 52.69 H new ATOM 0 HZ PHE A 521 24.157 -0.094 22.063 1.00 51.99 H new ATOM 485 N LEU A 522 20.595 -6.371 21.987 1.00 44.84 N ATOM 486 CA LEU A 522 20.590 -7.033 23.290 1.00 44.68 C ATOM 487 C LEU A 522 21.494 -8.270 23.303 1.00 44.94 C ATOM 488 O LEU A 522 22.167 -8.527 24.290 1.00 44.98 O ATOM 489 CB LEU A 522 19.168 -7.416 23.686 1.00 44.50 C ATOM 490 CG LEU A 522 18.181 -6.288 24.017 1.00 45.23 C ATOM 491 CD1 LEU A 522 16.792 -6.853 24.156 1.00 44.91 C ATOM 492 CD2 LEU A 522 18.571 -5.536 25.292 1.00 46.16 C ATOM 0 H LEU A 522 19.820 -6.310 21.619 1.00 44.84 H new ATOM 0 HA LEU A 522 20.943 -6.403 23.938 1.00 44.68 H new ATOM 0 HB2 LEU A 522 18.789 -7.939 22.962 1.00 44.50 H new ATOM 0 HB3 LEU A 522 19.222 -7.999 24.459 1.00 44.50 H new ATOM 0 HG LEU A 522 18.206 -5.651 23.286 1.00 45.23 H new ATOM 0 HD11 LEU A 522 16.171 -6.138 24.365 1.00 44.91 H new ATOM 0 HD12 LEU A 522 16.529 -7.275 23.323 1.00 44.91 H new ATOM 0 HD13 LEU A 522 16.780 -7.510 24.869 1.00 44.91 H new ATOM 0 HD21 LEU A 522 17.924 -4.834 25.465 1.00 46.16 H new ATOM 0 HD22 LEU A 522 18.586 -6.153 26.040 1.00 46.16 H new ATOM 0 HD23 LEU A 522 19.451 -5.143 25.180 1.00 46.16 H new ATOM 493 N GLU A 523 21.495 -9.033 22.212 1.00 45.11 N ATOM 494 CA GLU A 523 22.335 -10.223 22.090 1.00 45.14 C ATOM 495 C GLU A 523 23.782 -9.833 21.855 1.00 43.85 C ATOM 496 O GLU A 523 24.663 -10.296 22.557 1.00 41.95 O ATOM 497 CB GLU A 523 21.829 -11.123 20.970 1.00 45.59 C ATOM 498 CG GLU A 523 20.392 -11.551 21.211 1.00 51.41 C ATOM 499 CD GLU A 523 19.772 -12.319 20.052 1.00 58.44 C ATOM 500 OE1 GLU A 523 20.532 -12.954 19.293 1.00 62.45 O ATOM 501 OE2 GLU A 523 18.522 -12.307 19.920 1.00 61.24 O ATOM 0 H GLU A 523 21.008 -8.875 21.521 1.00 45.11 H new ATOM 0 HA GLU A 523 22.286 -10.719 22.922 1.00 45.14 H new ATOM 0 HB2 GLU A 523 21.891 -10.654 20.123 1.00 45.59 H new ATOM 0 HB3 GLU A 523 22.395 -11.908 20.902 1.00 45.59 H new ATOM 0 HG2 GLU A 523 20.358 -12.103 22.008 1.00 51.41 H new ATOM 0 HG3 GLU A 523 19.855 -10.763 21.389 1.00 51.41 H new ATOM 502 N CYS A 524 24.010 -8.949 20.884 1.00 44.00 N ATOM 503 CA CYS A 524 25.360 -8.544 20.515 1.00 44.53 C ATOM 504 C CYS A 524 26.132 -7.878 21.626 1.00 42.93 C ATOM 505 O CYS A 524 27.336 -7.959 21.632 1.00 42.96 O ATOM 506 CB CYS A 524 25.358 -7.663 19.264 1.00 44.66 C ATOM 507 SG CYS A 524 24.996 -8.742 17.849 1.00 54.29 S ATOM 0 H CYS A 524 23.389 -8.571 20.425 1.00 44.00 H new ATOM 0 HA CYS A 524 25.826 -9.372 20.322 1.00 44.53 H new ATOM 0 HB2 CYS A 524 24.692 -6.962 19.340 1.00 44.66 H new ATOM 0 HB3 CYS A 524 26.217 -7.227 19.151 1.00 44.66 H new ATOM 0 HG CYS A 524 25.566 -9.789 17.987 1.00 54.29 H new ATOM 508 N ALA A 525 25.438 -7.233 22.559 1.00 41.47 N ATOM 509 CA ALA A 525 26.107 -6.594 23.676 1.00 41.10 C ATOM 510 C ALA A 525 26.969 -7.587 24.470 1.00 40.31 C ATOM 511 O ALA A 525 27.922 -7.168 25.113 1.00 40.79 O ATOM 512 CB ALA A 525 25.072 -5.914 24.603 1.00 40.87 C ATOM 0 H ALA A 525 24.581 -7.156 22.560 1.00 41.47 H new ATOM 0 HA ALA A 525 26.701 -5.918 23.315 1.00 41.10 H new ATOM 0 HB1 ALA A 525 25.531 -5.491 25.345 1.00 40.87 H new ATOM 0 HB2 ALA A 525 24.580 -5.244 24.103 1.00 40.87 H new ATOM 0 HB3 ALA A 525 24.455 -6.580 24.943 1.00 40.87 H new ATOM 513 N TYR A 526 26.605 -8.880 24.451 1.00 38.77 N ATOM 514 CA TYR A 526 27.264 -9.915 25.265 1.00 37.53 C ATOM 515 C TYR A 526 28.192 -10.787 24.435 1.00 37.22 C ATOM 516 O TYR A 526 28.736 -11.755 24.942 1.00 36.23 O ATOM 517 CB TYR A 526 26.235 -10.763 26.035 1.00 37.04 C ATOM 518 CG TYR A 526 25.459 -9.899 26.980 1.00 36.51 C ATOM 519 CD1 TYR A 526 24.269 -9.325 26.583 1.00 34.82 C ATOM 520 CD2 TYR A 526 25.958 -9.596 28.252 1.00 35.47 C ATOM 521 CE1 TYR A 526 23.567 -8.480 27.418 1.00 34.94 C ATOM 522 CE2 TYR A 526 25.283 -8.736 29.092 1.00 35.48 C ATOM 523 CZ TYR A 526 24.082 -8.183 28.665 1.00 36.76 C ATOM 524 OH TYR A 526 23.379 -7.331 29.484 1.00 36.74 O ATOM 0 H TYR A 526 25.965 -9.181 23.962 1.00 38.77 H new ATOM 0 HA TYR A 526 27.815 -9.455 25.918 1.00 37.53 H new ATOM 0 HB2 TYR A 526 25.631 -11.196 25.412 1.00 37.04 H new ATOM 0 HB3 TYR A 526 26.688 -11.466 26.526 1.00 37.04 H new ATOM 0 HD1 TYR A 526 23.933 -9.511 25.736 1.00 34.82 H new ATOM 0 HD2 TYR A 526 26.756 -9.980 28.535 1.00 35.47 H new ATOM 0 HE1 TYR A 526 22.757 -8.115 27.144 1.00 34.94 H new ATOM 0 HE2 TYR A 526 25.626 -8.529 29.931 1.00 35.48 H new ATOM 0 HH TYR A 526 23.793 -7.233 30.208 1.00 36.74 H new ATOM 525 N GLN A 527 28.384 -10.412 23.168 1.00 37.38 N ATOM 526 CA GLN A 527 29.230 -11.179 22.253 1.00 38.87 C ATOM 527 C GLN A 527 30.579 -10.501 22.095 1.00 38.56 C ATOM 528 O GLN A 527 30.697 -9.435 21.445 1.00 38.57 O ATOM 529 CB GLN A 527 28.572 -11.338 20.870 1.00 37.88 C ATOM 530 CG GLN A 527 27.320 -12.157 20.858 1.00 40.00 C ATOM 531 CD GLN A 527 26.763 -12.377 19.446 1.00 42.91 C ATOM 532 OE1 GLN A 527 26.660 -11.449 18.641 1.00 50.38 O ATOM 533 NE2 GLN A 527 26.394 -13.615 19.149 1.00 48.72 N ATOM 0 H GLN A 527 28.030 -9.711 22.818 1.00 37.38 H new ATOM 0 HA GLN A 527 29.349 -12.062 22.637 1.00 38.87 H new ATOM 0 HB2 GLN A 527 28.370 -10.456 20.519 1.00 37.88 H new ATOM 0 HB3 GLN A 527 29.214 -11.743 20.266 1.00 37.88 H new ATOM 0 HG2 GLN A 527 27.498 -13.018 21.268 1.00 40.00 H new ATOM 0 HG3 GLN A 527 26.647 -11.718 21.401 1.00 40.00 H new ATOM 0 HE21 GLN A 527 26.479 -14.241 19.733 1.00 48.72 H new ATOM 0 HE22 GLN A 527 26.070 -13.793 18.372 1.00 48.72 H new ATOM 534 N TYR A 528 31.591 -11.131 22.670 1.00 38.64 N ATOM 535 CA TYR A 528 32.963 -10.635 22.615 1.00 39.35 C ATOM 536 C TYR A 528 33.875 -11.626 21.925 1.00 40.13 C ATOM 537 O TYR A 528 33.641 -12.829 21.991 1.00 39.49 O ATOM 538 CB TYR A 528 33.470 -10.384 24.033 1.00 39.45 C ATOM 539 CG TYR A 528 32.911 -9.121 24.597 1.00 38.89 C ATOM 540 CD1 TYR A 528 31.605 -9.059 25.072 1.00 37.76 C ATOM 541 CD2 TYR A 528 33.678 -7.977 24.635 1.00 39.73 C ATOM 542 CE1 TYR A 528 31.083 -7.871 25.575 1.00 40.32 C ATOM 543 CE2 TYR A 528 33.166 -6.781 25.116 1.00 41.00 C ATOM 544 CZ TYR A 528 31.886 -6.738 25.595 1.00 40.83 C ATOM 545 OH TYR A 528 31.426 -5.548 26.089 1.00 43.08 O ATOM 0 H TYR A 528 31.504 -11.866 23.108 1.00 38.64 H new ATOM 0 HA TYR A 528 32.968 -9.809 22.107 1.00 39.35 H new ATOM 0 HB2 TYR A 528 33.225 -11.130 24.602 1.00 39.45 H new ATOM 0 HB3 TYR A 528 34.439 -10.337 24.028 1.00 39.45 H new ATOM 0 HD1 TYR A 528 31.073 -9.822 25.053 1.00 37.76 H new ATOM 0 HD2 TYR A 528 34.557 -8.007 24.332 1.00 39.73 H new ATOM 0 HE1 TYR A 528 30.210 -7.836 25.893 1.00 40.32 H new ATOM 0 HE2 TYR A 528 33.690 -6.013 25.113 1.00 41.00 H new ATOM 0 HH TYR A 528 32.030 -4.968 26.030 1.00 43.08 H new ATOM 546 N ASP A 529 34.916 -11.118 21.269 1.00 41.07 N ATOM 547 CA ASP A 529 35.957 -11.974 20.681 1.00 41.83 C ATOM 548 C ASP A 529 37.071 -12.245 21.697 1.00 42.24 C ATOM 549 O ASP A 529 37.091 -11.653 22.773 1.00 41.59 O ATOM 550 CB ASP A 529 36.521 -11.328 19.408 1.00 42.00 C ATOM 551 CG ASP A 529 35.518 -11.323 18.255 1.00 43.56 C ATOM 552 OD1 ASP A 529 34.569 -12.154 18.245 1.00 45.36 O ATOM 553 OD2 ASP A 529 35.676 -10.483 17.350 1.00 43.62 O ATOM 0 H ASP A 529 35.042 -10.276 21.151 1.00 41.07 H new ATOM 0 HA ASP A 529 35.559 -12.825 20.440 1.00 41.83 H new ATOM 0 HB2 ASP A 529 36.788 -10.416 19.604 1.00 42.00 H new ATOM 0 HB3 ASP A 529 37.320 -11.805 19.135 1.00 42.00 H new ATOM 554 N ASP A 530 37.998 -13.143 21.373 1.00 43.46 N ATOM 555 CA ASP A 530 39.035 -13.488 22.355 1.00 44.63 C ATOM 556 C ASP A 530 40.051 -12.347 22.554 1.00 44.26 C ATOM 557 O ASP A 530 40.855 -12.379 23.482 1.00 43.77 O ATOM 558 CB ASP A 530 39.692 -14.849 22.067 1.00 45.13 C ATOM 559 CG ASP A 530 40.396 -14.899 20.724 1.00 48.17 C ATOM 560 OD1 ASP A 530 40.481 -13.865 20.020 1.00 51.61 O ATOM 561 OD2 ASP A 530 40.883 -15.995 20.366 1.00 52.61 O ATOM 0 H ASP A 530 38.049 -13.554 20.619 1.00 43.46 H new ATOM 0 HA ASP A 530 38.587 -13.595 23.209 1.00 44.63 H new ATOM 0 HB2 ASP A 530 40.331 -15.048 22.769 1.00 45.13 H new ATOM 0 HB3 ASP A 530 39.014 -15.542 22.096 1.00 45.13 H new ATOM 562 N ASP A 531 39.954 -11.317 21.711 1.00 43.87 N ATOM 563 CA ASP A 531 40.735 -10.098 21.882 1.00 43.46 C ATOM 564 C ASP A 531 40.177 -9.151 22.963 1.00 43.20 C ATOM 565 O ASP A 531 40.732 -8.071 23.177 1.00 43.69 O ATOM 566 CB ASP A 531 40.875 -9.363 20.546 1.00 43.44 C ATOM 567 CG ASP A 531 39.534 -8.864 19.987 1.00 44.67 C ATOM 568 OD1 ASP A 531 38.489 -8.950 20.675 1.00 46.84 O ATOM 569 OD2 ASP A 531 39.524 -8.377 18.838 1.00 46.01 O ATOM 0 H ASP A 531 39.434 -11.309 21.026 1.00 43.87 H new ATOM 0 HA ASP A 531 41.609 -10.378 22.195 1.00 43.46 H new ATOM 0 HB2 ASP A 531 41.472 -8.607 20.660 1.00 43.44 H new ATOM 0 HB3 ASP A 531 41.288 -9.956 19.899 1.00 43.44 H new ATOM 570 N GLY A 532 39.086 -9.544 23.627 1.00 42.51 N ATOM 571 CA GLY A 532 38.449 -8.709 24.659 1.00 41.84 C ATOM 572 C GLY A 532 37.503 -7.626 24.128 1.00 41.92 C ATOM 573 O GLY A 532 36.843 -6.932 24.919 1.00 41.54 O ATOM 0 H GLY A 532 38.694 -10.298 23.495 1.00 42.51 H new ATOM 0 HA2 GLY A 532 37.952 -9.286 25.261 1.00 41.84 H new ATOM 0 HA3 GLY A 532 39.144 -8.282 25.184 1.00 41.84 H new ATOM 574 N TYR A 533 37.426 -7.494 22.797 1.00 41.23 N ATOM 575 CA TYR A 533 36.553 -6.511 22.129 1.00 40.96 C ATOM 576 C TYR A 533 35.226 -7.121 21.667 1.00 40.55 C ATOM 577 O TYR A 533 35.122 -8.332 21.457 1.00 41.30 O ATOM 578 CB TYR A 533 37.285 -5.856 20.932 1.00 41.18 C ATOM 579 CG TYR A 533 38.194 -4.706 21.330 1.00 41.54 C ATOM 580 CD1 TYR A 533 37.834 -3.391 21.059 1.00 42.98 C ATOM 581 CD2 TYR A 533 39.397 -4.937 21.999 1.00 43.72 C ATOM 582 CE1 TYR A 533 38.642 -2.332 21.434 1.00 42.66 C ATOM 583 CE2 TYR A 533 40.224 -3.883 22.384 1.00 44.23 C ATOM 584 CZ TYR A 533 39.831 -2.585 22.101 1.00 43.97 C ATOM 585 OH TYR A 533 40.634 -1.534 22.478 1.00 44.83 O ATOM 0 H TYR A 533 37.883 -7.976 22.251 1.00 41.23 H new ATOM 0 HA TYR A 533 36.343 -5.831 22.788 1.00 40.96 H new ATOM 0 HB2 TYR A 533 37.811 -6.531 20.476 1.00 41.18 H new ATOM 0 HB3 TYR A 533 36.626 -5.533 20.297 1.00 41.18 H new ATOM 0 HD1 TYR A 533 37.034 -3.219 20.617 1.00 42.98 H new ATOM 0 HD2 TYR A 533 39.652 -5.811 22.192 1.00 43.72 H new ATOM 0 HE1 TYR A 533 38.390 -1.458 21.240 1.00 42.66 H new ATOM 0 HE2 TYR A 533 41.027 -4.048 22.824 1.00 44.23 H new ATOM 0 HH TYR A 533 40.346 -0.824 22.135 1.00 44.83 H new ATOM 586 N GLN A 534 34.216 -6.277 21.515 1.00 40.06 N ATOM 587 CA GLN A 534 32.916 -6.688 21.001 1.00 40.40 C ATOM 588 C GLN A 534 33.034 -7.307 19.622 1.00 39.84 C ATOM 589 O GLN A 534 33.868 -6.874 18.791 1.00 38.45 O ATOM 590 CB GLN A 534 31.921 -5.506 21.000 1.00 39.84 C ATOM 591 CG GLN A 534 31.310 -5.357 22.419 1.00 41.90 C ATOM 592 CD GLN A 534 30.113 -4.454 22.549 1.00 43.81 C ATOM 593 OE1 GLN A 534 29.493 -4.399 23.633 1.00 51.45 O ATOM 594 NE2 GLN A 534 29.761 -3.739 21.479 1.00 44.95 N ATOM 0 H GLN A 534 34.265 -5.441 21.709 1.00 40.06 H new ATOM 0 HA GLN A 534 32.568 -7.370 21.596 1.00 40.40 H new ATOM 0 HB2 GLN A 534 32.374 -4.688 20.743 1.00 39.84 H new ATOM 0 HB3 GLN A 534 31.220 -5.659 20.348 1.00 39.84 H new ATOM 0 HG2 GLN A 534 31.059 -6.239 22.735 1.00 41.90 H new ATOM 0 HG3 GLN A 534 32.003 -5.029 23.014 1.00 41.90 H new ATOM 0 HE21 GLN A 534 30.213 -3.804 20.750 1.00 44.95 H new ATOM 0 HE22 GLN A 534 29.082 -3.213 21.518 1.00 44.95 H new ATOM 595 N SER A 535 32.202 -8.317 19.380 1.00 38.86 N ATOM 596 CA SER A 535 32.324 -9.078 18.160 1.00 38.83 C ATOM 597 C SER A 535 31.856 -8.252 16.975 1.00 39.73 C ATOM 598 O SER A 535 32.415 -8.375 15.889 1.00 39.59 O ATOM 599 CB SER A 535 31.557 -10.376 18.267 1.00 38.74 C ATOM 600 OG SER A 535 32.164 -11.221 19.256 1.00 39.98 O ATOM 0 H SER A 535 31.571 -8.569 19.907 1.00 38.86 H new ATOM 0 HA SER A 535 33.258 -9.299 18.019 1.00 38.83 H new ATOM 0 HB2 SER A 535 30.634 -10.197 18.505 1.00 38.74 H new ATOM 0 HB3 SER A 535 31.546 -10.826 17.408 1.00 38.74 H new ATOM 0 HG SER A 535 32.902 -11.503 18.969 1.00 39.98 H new ATOM 601 N TYR A 536 30.862 -7.384 17.197 1.00 39.37 N ATOM 602 CA TYR A 536 30.197 -6.705 16.101 1.00 39.52 C ATOM 603 C TYR A 536 30.061 -5.203 16.295 1.00 38.81 C ATOM 604 O TYR A 536 30.287 -4.674 17.394 1.00 37.55 O ATOM 605 CB TYR A 536 28.817 -7.340 15.837 1.00 40.62 C ATOM 606 CG TYR A 536 28.926 -8.795 15.493 1.00 41.55 C ATOM 607 CD1 TYR A 536 29.439 -9.194 14.259 1.00 42.45 C ATOM 608 CD2 TYR A 536 28.558 -9.773 16.404 1.00 41.61 C ATOM 609 CE1 TYR A 536 29.569 -10.510 13.934 1.00 41.37 C ATOM 610 CE2 TYR A 536 28.689 -11.109 16.095 1.00 42.72 C ATOM 611 CZ TYR A 536 29.189 -11.470 14.852 1.00 43.33 C ATOM 612 OH TYR A 536 29.325 -12.808 14.526 1.00 45.18 O ATOM 0 H TYR A 536 30.564 -7.180 17.978 1.00 39.37 H new ATOM 0 HA TYR A 536 30.769 -6.822 15.327 1.00 39.52 H new ATOM 0 HB2 TYR A 536 28.258 -7.235 16.623 1.00 40.62 H new ATOM 0 HB3 TYR A 536 28.378 -6.869 15.112 1.00 40.62 H new ATOM 0 HD1 TYR A 536 29.698 -8.546 13.644 1.00 42.45 H new ATOM 0 HD2 TYR A 536 28.219 -9.524 17.233 1.00 41.61 H new ATOM 0 HE1 TYR A 536 29.909 -10.759 13.105 1.00 41.37 H new ATOM 0 HE2 TYR A 536 28.445 -11.761 16.712 1.00 42.72 H new ATOM 0 HH TYR A 536 29.881 -12.889 13.901 1.00 45.18 H new ATOM 613 N CYS A 537 29.698 -4.543 15.199 1.00 38.32 N ATOM 614 CA CYS A 537 29.446 -3.118 15.153 1.00 38.53 C ATOM 615 C CYS A 537 28.416 -2.693 16.190 1.00 38.99 C ATOM 616 O CYS A 537 27.357 -3.304 16.344 1.00 38.27 O ATOM 617 CB CYS A 537 28.983 -2.699 13.739 1.00 38.07 C ATOM 618 SG CYS A 537 28.594 -0.903 13.534 1.00 39.44 S ATOM 0 H CYS A 537 29.590 -4.931 14.439 1.00 38.32 H new ATOM 0 HA CYS A 537 30.279 -2.667 15.362 1.00 38.53 H new ATOM 0 HB2 CYS A 537 29.676 -2.939 13.104 1.00 38.07 H new ATOM 0 HB3 CYS A 537 28.194 -3.214 13.507 1.00 38.07 H new ATOM 619 N THR A 538 28.766 -1.627 16.890 1.00 39.75 N ATOM 620 CA THR A 538 27.921 -0.960 17.874 1.00 41.09 C ATOM 621 C THR A 538 26.637 -0.420 17.234 1.00 42.50 C ATOM 622 O THR A 538 25.580 -0.435 17.860 1.00 44.30 O ATOM 623 CB THR A 538 28.746 0.169 18.573 1.00 40.42 C ATOM 624 OG1 THR A 538 29.512 -0.414 19.626 1.00 43.15 O ATOM 625 CG2 THR A 538 27.879 1.241 19.154 1.00 39.01 C ATOM 0 H THR A 538 29.536 -1.254 16.803 1.00 39.75 H new ATOM 0 HA THR A 538 27.641 -1.602 18.545 1.00 41.09 H new ATOM 0 HB THR A 538 29.311 0.580 17.900 1.00 40.42 H new ATOM 0 HG1 THR A 538 30.303 -0.529 19.367 1.00 43.15 H new ATOM 0 HG21 THR A 538 28.436 1.915 19.575 1.00 39.01 H new ATOM 0 HG22 THR A 538 27.354 1.650 18.449 1.00 39.01 H new ATOM 0 HG23 THR A 538 27.285 0.854 19.816 1.00 39.01 H new ATOM 626 N ILE A 539 26.700 0.030 15.986 1.00 42.85 N ATOM 627 CA ILE A 539 25.509 0.595 15.347 1.00 43.60 C ATOM 628 C ILE A 539 24.582 -0.435 14.703 1.00 43.94 C ATOM 629 O ILE A 539 23.396 -0.384 14.910 1.00 45.50 O ATOM 630 CB ILE A 539 25.865 1.690 14.298 1.00 43.81 C ATOM 631 CG1 ILE A 539 26.505 2.895 14.979 1.00 44.09 C ATOM 632 CG2 ILE A 539 24.616 2.146 13.533 1.00 42.53 C ATOM 633 CD1 ILE A 539 27.444 3.650 14.039 1.00 47.53 C ATOM 0 H ILE A 539 27.407 0.020 15.497 1.00 42.85 H new ATOM 0 HA ILE A 539 25.022 0.994 16.085 1.00 43.60 H new ATOM 0 HB ILE A 539 26.494 1.302 13.670 1.00 43.81 H new ATOM 0 HG12 ILE A 539 25.811 3.495 15.292 1.00 44.09 H new ATOM 0 HG13 ILE A 539 26.999 2.600 15.760 1.00 44.09 H new ATOM 0 HG21 ILE A 539 24.862 2.826 12.887 1.00 42.53 H new ATOM 0 HG22 ILE A 539 24.225 1.388 13.071 1.00 42.53 H new ATOM 0 HG23 ILE A 539 23.970 2.512 14.157 1.00 42.53 H new ATOM 0 HD11 ILE A 539 27.830 4.407 14.507 1.00 47.53 H new ATOM 0 HD12 ILE A 539 28.153 3.057 13.744 1.00 47.53 H new ATOM 0 HD13 ILE A 539 26.946 3.966 13.269 1.00 47.53 H new ATOM 634 N CYS A 540 25.112 -1.353 13.916 1.00 44.92 N ATOM 635 CA CYS A 540 24.277 -2.244 13.120 1.00 44.92 C ATOM 636 C CYS A 540 24.299 -3.684 13.600 1.00 45.82 C ATOM 637 O CYS A 540 23.681 -4.555 12.971 1.00 45.29 O ATOM 638 CB CYS A 540 24.753 -2.205 11.673 1.00 44.47 C ATOM 639 SG CYS A 540 26.353 -3.039 11.326 1.00 44.10 S ATOM 0 H CYS A 540 25.958 -1.480 13.825 1.00 44.92 H new ATOM 0 HA CYS A 540 23.364 -1.928 13.209 1.00 44.92 H new ATOM 0 HB2 CYS A 540 24.070 -2.610 11.116 1.00 44.47 H new ATOM 0 HB3 CYS A 540 24.827 -1.277 11.401 1.00 44.47 H new ATOM 640 N CYS A 541 25.053 -3.943 14.679 1.00 45.89 N ATOM 641 CA CYS A 541 25.229 -5.290 15.229 1.00 46.61 C ATOM 642 C CYS A 541 25.737 -6.319 14.260 1.00 45.73 C ATOM 643 O CYS A 541 25.540 -7.501 14.480 1.00 46.01 O ATOM 644 CB CYS A 541 23.932 -5.811 15.837 1.00 47.11 C ATOM 645 SG CYS A 541 23.183 -4.608 16.879 1.00 52.17 S ATOM 0 H CYS A 541 25.478 -3.334 15.113 1.00 45.89 H new ATOM 0 HA CYS A 541 25.916 -5.173 15.904 1.00 46.61 H new ATOM 0 HB2 CYS A 541 23.316 -6.056 15.129 1.00 47.11 H new ATOM 0 HB3 CYS A 541 24.112 -6.616 16.347 1.00 47.11 H new ATOM 0 HG CYS A 541 22.079 -4.970 17.180 1.00 52.17 H new ATOM 646 N GLY A 542 26.393 -5.882 13.198 1.00 45.60 N ATOM 647 CA GLY A 542 27.031 -6.809 12.272 1.00 44.82 C ATOM 648 C GLY A 542 28.302 -6.185 11.762 1.00 44.67 C ATOM 649 O GLY A 542 29.175 -5.818 12.558 1.00 45.17 O ATOM 0 H GLY A 542 26.482 -5.052 12.993 1.00 45.60 H new ATOM 0 HA2 GLY A 542 27.224 -7.649 12.717 1.00 44.82 H new ATOM 0 HA3 GLY A 542 26.435 -7.010 11.533 1.00 44.82 H new ATOM 650 N GLY A 543 28.393 -6.044 10.438 1.00 44.30 N ATOM 651 CA GLY A 543 29.575 -5.537 9.769 1.00 43.51 C ATOM 652 C GLY A 543 30.532 -6.628 9.328 1.00 43.73 C ATOM 653 O GLY A 543 30.542 -7.727 9.895 1.00 44.33 O ATOM 0 H GLY A 543 27.753 -6.246 9.900 1.00 44.30 H new ATOM 0 HA2 GLY A 543 29.303 -5.021 8.994 1.00 43.51 H new ATOM 0 HA3 GLY A 543 30.040 -4.929 10.365 1.00 43.51 H new ATOM 654 N ARG A 544 31.356 -6.327 8.330 1.00 43.22 N ATOM 655 CA ARG A 544 32.367 -7.264 7.852 1.00 43.52 C ATOM 656 C ARG A 544 33.730 -6.952 8.438 1.00 42.38 C ATOM 657 O ARG A 544 34.428 -7.827 8.935 1.00 42.40 O ATOM 658 CB ARG A 544 32.469 -7.194 6.336 1.00 44.16 C ATOM 659 CG ARG A 544 31.410 -7.961 5.608 1.00 47.87 C ATOM 660 CD ARG A 544 31.981 -8.371 4.253 1.00 54.87 C ATOM 661 NE ARG A 544 31.008 -8.274 3.168 1.00 59.19 N ATOM 662 CZ ARG A 544 30.276 -7.192 2.904 1.00 62.14 C ATOM 663 NH1 ARG A 544 30.368 -6.096 3.666 1.00 62.62 N ATOM 664 NH2 ARG A 544 29.432 -7.214 1.877 1.00 64.26 N ATOM 0 H ARG A 544 31.345 -5.576 7.912 1.00 43.22 H new ATOM 0 HA ARG A 544 32.096 -8.152 8.133 1.00 43.52 H new ATOM 0 HB2 ARG A 544 32.425 -6.264 6.063 1.00 44.16 H new ATOM 0 HB3 ARG A 544 33.338 -7.528 6.066 1.00 44.16 H new ATOM 0 HG2 ARG A 544 31.146 -8.744 6.117 1.00 47.87 H new ATOM 0 HG3 ARG A 544 30.615 -7.417 5.492 1.00 47.87 H new ATOM 0 HD2 ARG A 544 32.745 -7.809 4.047 1.00 54.87 H new ATOM 0 HD3 ARG A 544 32.306 -9.283 4.308 1.00 54.87 H new ATOM 0 HE ARG A 544 30.900 -8.963 2.665 1.00 59.19 H new ATOM 0 HH11 ARG A 544 30.905 -6.083 4.337 1.00 62.62 H new ATOM 0 HH12 ARG A 544 29.890 -5.405 3.484 1.00 62.62 H new ATOM 0 HH21 ARG A 544 29.363 -7.921 1.392 1.00 64.26 H new ATOM 0 HH22 ARG A 544 28.955 -6.521 1.698 1.00 64.26 H new ATOM 665 N GLU A 545 34.106 -5.689 8.326 1.00 41.66 N ATOM 666 CA GLU A 545 35.342 -5.168 8.864 1.00 40.78 C ATOM 667 C GLU A 545 35.006 -4.069 9.864 1.00 39.54 C ATOM 668 O GLU A 545 34.222 -3.165 9.561 1.00 38.80 O ATOM 669 CB GLU A 545 36.208 -4.599 7.734 1.00 40.69 C ATOM 670 CG GLU A 545 37.403 -3.803 8.242 1.00 43.36 C ATOM 671 CD GLU A 545 38.455 -3.555 7.184 1.00 46.03 C ATOM 672 OE1 GLU A 545 39.111 -4.525 6.741 1.00 48.10 O ATOM 673 OE2 GLU A 545 38.626 -2.381 6.793 1.00 47.36 O ATOM 0 H GLU A 545 33.633 -5.096 7.922 1.00 41.66 H new ATOM 0 HA GLU A 545 35.837 -5.877 9.303 1.00 40.78 H new ATOM 0 HB2 GLU A 545 36.524 -5.328 7.178 1.00 40.69 H new ATOM 0 HB3 GLU A 545 35.662 -4.029 7.171 1.00 40.69 H new ATOM 0 HG2 GLU A 545 37.093 -2.951 8.586 1.00 43.36 H new ATOM 0 HG3 GLU A 545 37.807 -4.278 8.985 1.00 43.36 H new ATOM 674 N VAL A 546 35.605 -4.145 11.044 1.00 38.52 N ATOM 675 CA VAL A 546 35.297 -3.185 12.091 1.00 37.90 C ATOM 676 C VAL A 546 36.509 -2.443 12.624 1.00 37.71 C ATOM 677 O VAL A 546 37.575 -3.025 12.800 1.00 37.35 O ATOM 678 CB VAL A 546 34.507 -3.838 13.283 1.00 37.94 C ATOM 679 CG1 VAL A 546 33.150 -4.356 12.819 1.00 36.70 C ATOM 680 CG2 VAL A 546 35.316 -4.936 13.979 1.00 36.82 C ATOM 0 H VAL A 546 36.188 -4.740 11.257 1.00 38.52 H new ATOM 0 HA VAL A 546 34.730 -2.529 11.656 1.00 37.90 H new ATOM 0 HB VAL A 546 34.354 -3.143 13.942 1.00 37.94 H new ATOM 0 HG11 VAL A 546 32.681 -4.754 13.569 1.00 36.70 H new ATOM 0 HG12 VAL A 546 32.626 -3.620 12.465 1.00 36.70 H new ATOM 0 HG13 VAL A 546 33.278 -5.024 12.127 1.00 36.70 H new ATOM 0 HG21 VAL A 546 34.794 -5.311 14.706 1.00 36.82 H new ATOM 0 HG22 VAL A 546 35.530 -5.634 13.341 1.00 36.82 H new ATOM 0 HG23 VAL A 546 36.137 -4.559 14.332 1.00 36.82 H new ATOM 681 N LEU A 547 36.329 -1.154 12.889 1.00 37.90 N ATOM 682 CA LEU A 547 37.332 -0.374 13.618 1.00 38.37 C ATOM 683 C LEU A 547 37.156 -0.581 15.116 1.00 38.18 C ATOM 684 O LEU A 547 36.035 -0.546 15.632 1.00 38.21 O ATOM 685 CB LEU A 547 37.232 1.119 13.287 1.00 38.64 C ATOM 686 CG LEU A 547 36.902 1.558 11.853 1.00 39.81 C ATOM 687 CD1 LEU A 547 36.939 3.075 11.748 1.00 40.58 C ATOM 688 CD2 LEU A 547 37.814 0.933 10.854 1.00 38.00 C ATOM 0 H LEU A 547 35.632 -0.708 12.656 1.00 37.90 H new ATOM 0 HA LEU A 547 38.209 -0.684 13.344 1.00 38.37 H new ATOM 0 HB2 LEU A 547 36.557 1.501 13.870 1.00 38.64 H new ATOM 0 HB3 LEU A 547 38.078 1.527 13.528 1.00 38.64 H new ATOM 0 HG LEU A 547 36.005 1.250 11.648 1.00 39.81 H new ATOM 0 HD11 LEU A 547 36.729 3.342 10.839 1.00 40.58 H new ATOM 0 HD12 LEU A 547 36.287 3.458 12.355 1.00 40.58 H new ATOM 0 HD13 LEU A 547 37.825 3.394 11.982 1.00 40.58 H new ATOM 0 HD21 LEU A 547 37.574 1.234 9.964 1.00 38.00 H new ATOM 0 HD22 LEU A 547 38.729 1.190 11.046 1.00 38.00 H new ATOM 0 HD23 LEU A 547 37.733 -0.032 10.901 1.00 38.00 H new ATOM 689 N MET A 548 38.266 -0.786 15.806 1.00 38.04 N ATOM 690 CA MET A 548 38.262 -1.000 17.242 1.00 38.59 C ATOM 691 C MET A 548 38.711 0.254 17.975 1.00 38.20 C ATOM 692 O MET A 548 39.717 0.856 17.604 1.00 37.79 O ATOM 693 CB MET A 548 39.210 -2.138 17.581 1.00 38.26 C ATOM 694 CG MET A 548 38.731 -3.479 17.130 1.00 38.51 C ATOM 695 SD MET A 548 40.046 -4.682 17.303 1.00 41.29 S ATOM 696 CE MET A 548 40.527 -4.802 15.631 1.00 39.62 C ATOM 0 H MET A 548 39.049 -0.805 15.451 1.00 38.04 H new ATOM 0 HA MET A 548 37.359 -1.219 17.520 1.00 38.59 H new ATOM 0 HB2 MET A 548 40.073 -1.960 17.176 1.00 38.26 H new ATOM 0 HB3 MET A 548 39.346 -2.159 18.541 1.00 38.26 H new ATOM 0 HG2 MET A 548 37.962 -3.750 17.655 1.00 38.51 H new ATOM 0 HG3 MET A 548 38.442 -3.434 16.205 1.00 38.51 H new ATOM 0 HE1 MET A 548 41.142 -5.544 15.523 1.00 39.62 H new ATOM 0 HE2 MET A 548 39.743 -4.949 15.078 1.00 39.62 H new ATOM 0 HE3 MET A 548 40.964 -3.979 15.360 1.00 39.62 H new ATOM 697 N CYS A 549 37.958 0.640 19.002 1.00 38.06 N ATOM 698 CA CYS A 549 38.291 1.778 19.856 1.00 39.51 C ATOM 699 C CYS A 549 39.644 1.571 20.517 1.00 40.94 C ATOM 700 O CYS A 549 39.976 0.465 20.954 1.00 41.74 O ATOM 701 CB CYS A 549 37.199 2.002 20.904 1.00 39.80 C ATOM 702 SG CYS A 549 37.358 3.492 21.897 1.00 37.20 S ATOM 0 H CYS A 549 37.229 0.243 19.226 1.00 38.06 H new ATOM 0 HA CYS A 549 38.344 2.573 19.302 1.00 39.51 H new ATOM 0 HB2 CYS A 549 36.341 2.025 20.452 1.00 39.80 H new ATOM 0 HB3 CYS A 549 37.185 1.237 21.500 1.00 39.80 H new ATOM 703 N GLY A 550 40.443 2.633 20.558 1.00 42.53 N ATOM 704 CA GLY A 550 41.814 2.556 21.049 1.00 43.87 C ATOM 705 C GLY A 550 41.924 2.513 22.556 1.00 45.58 C ATOM 706 O GLY A 550 43.022 2.313 23.097 1.00 45.93 O ATOM 0 H GLY A 550 40.205 3.419 20.302 1.00 42.53 H new ATOM 0 HA2 GLY A 550 42.236 1.764 20.680 1.00 43.87 H new ATOM 0 HA3 GLY A 550 42.310 3.322 20.719 1.00 43.87 H new ATOM 707 N ASN A 551 40.810 2.701 23.256 1.00 47.18 N ATOM 708 CA ASN A 551 40.851 2.584 24.709 1.00 49.21 C ATOM 709 C ASN A 551 40.114 1.387 25.332 1.00 49.87 C ATOM 710 O ASN A 551 39.068 0.913 24.848 1.00 49.91 O ATOM 711 CB ASN A 551 40.549 3.923 25.413 1.00 49.66 C ATOM 712 CG ASN A 551 39.079 4.109 25.731 1.00 51.31 C ATOM 713 OD1 ASN A 551 38.632 3.856 26.864 1.00 53.18 O ATOM 714 ND2 ASN A 551 38.316 4.550 24.740 1.00 52.96 N ATOM 0 H ASN A 551 40.041 2.892 22.921 1.00 47.18 H new ATOM 0 HA ASN A 551 41.778 2.360 24.887 1.00 49.21 H new ATOM 0 HB2 ASN A 551 41.061 3.973 26.235 1.00 49.66 H new ATOM 0 HB3 ASN A 551 40.847 4.653 24.849 1.00 49.66 H new ATOM 0 HD21 ASN A 551 37.474 4.672 24.867 1.00 52.96 H new ATOM 0 HD22 ASN A 551 38.663 4.714 23.970 1.00 52.96 H new ATOM 715 N ASN A 552 40.701 0.915 26.426 1.00 50.89 N ATOM 716 CA ASN A 552 40.448 -0.412 26.952 1.00 51.49 C ATOM 717 C ASN A 552 39.184 -0.553 27.790 1.00 51.50 C ATOM 718 O ASN A 552 38.722 -1.670 28.013 1.00 51.99 O ATOM 719 CB ASN A 552 41.664 -0.879 27.754 1.00 52.00 C ATOM 720 CG ASN A 552 42.116 -2.277 27.367 1.00 53.38 C ATOM 721 OD1 ASN A 552 41.280 -2.984 26.590 1.00 53.21 O flip ATOM 722 ND2 ASN A 552 43.208 -2.716 27.747 1.00 55.53 N flip ATOM 0 H ASN A 552 41.267 1.368 26.889 1.00 50.89 H new ATOM 0 HA ASN A 552 40.296 -0.975 26.177 1.00 51.49 H new ATOM 0 HB2 ASN A 552 42.396 -0.257 27.618 1.00 52.00 H new ATOM 0 HB3 ASN A 552 41.450 -0.862 28.700 1.00 52.00 H new ATOM 0 HD21 ASN A 552 43.716 -2.232 28.244 1.00 55.53 H new ATOM 0 HD22 ASN A 552 43.459 -3.505 27.514 1.00 55.53 H new ATOM 723 N ASN A 553 38.636 0.570 28.254 1.00 51.20 N ATOM 724 CA ASN A 553 37.423 0.567 29.073 1.00 50.49 C ATOM 725 C ASN A 553 36.238 0.624 28.159 1.00 49.89 C ATOM 726 O ASN A 553 35.077 0.744 28.599 1.00 50.64 O ATOM 727 CB ASN A 553 37.372 1.792 29.982 1.00 51.14 C ATOM 728 CG ASN A 553 38.735 2.183 30.519 1.00 52.65 C ATOM 729 OD1 ASN A 553 39.211 1.639 31.525 1.00 52.87 O ATOM 730 ND2 ASN A 553 39.373 3.145 29.846 1.00 54.99 N ATOM 0 H ASN A 553 38.956 1.354 28.103 1.00 51.20 H new ATOM 0 HA ASN A 553 37.419 -0.235 29.619 1.00 50.49 H new ATOM 0 HB2 ASN A 553 36.996 2.539 29.490 1.00 51.14 H new ATOM 0 HB3 ASN A 553 36.775 1.613 30.726 1.00 51.14 H new ATOM 0 HD21 ASN A 553 40.148 3.411 30.107 1.00 54.99 H new ATOM 0 HD22 ASN A 553 39.009 3.498 29.152 1.00 54.99 H new ATOM 731 N CYS A 554 36.521 0.583 26.865 1.00 47.60 N ATOM 732 CA CYS A 554 35.460 0.773 25.914 1.00 46.15 C ATOM 733 C CYS A 554 35.072 -0.544 25.245 1.00 44.91 C ATOM 734 O CYS A 554 33.906 -0.964 25.330 1.00 44.93 O ATOM 735 CB CYS A 554 35.845 1.833 24.887 1.00 45.60 C ATOM 736 SG CYS A 554 34.498 2.127 23.770 1.00 45.84 S ATOM 0 H CYS A 554 37.302 0.450 26.531 1.00 47.60 H new ATOM 0 HA CYS A 554 34.678 1.091 26.392 1.00 46.15 H new ATOM 0 HB2 CYS A 554 36.085 2.657 25.338 1.00 45.60 H new ATOM 0 HB3 CYS A 554 36.627 1.543 24.391 1.00 45.60 H new ATOM 737 N CYS A 555 36.051 -1.165 24.579 1.00 42.83 N ATOM 738 CA CYS A 555 35.859 -2.412 23.834 1.00 40.97 C ATOM 739 C CYS A 555 34.870 -2.393 22.647 1.00 40.22 C ATOM 740 O CYS A 555 34.530 -3.459 22.116 1.00 39.61 O ATOM 741 CB CYS A 555 35.533 -3.533 24.801 1.00 40.70 C ATOM 742 SG CYS A 555 36.791 -3.599 26.087 1.00 40.44 S ATOM 0 H CYS A 555 36.857 -0.868 24.548 1.00 42.83 H new ATOM 0 HA CYS A 555 36.709 -2.557 23.390 1.00 40.97 H new ATOM 0 HB2 CYS A 555 34.659 -3.388 25.197 1.00 40.70 H new ATOM 0 HB3 CYS A 555 35.494 -4.380 24.329 1.00 40.70 H new ATOM 0 HG CYS A 555 36.533 -4.485 26.854 1.00 40.44 H new ATOM 743 N ARG A 556 34.451 -1.208 22.211 1.00 38.73 N ATOM 744 CA ARG A 556 33.528 -1.093 21.076 1.00 39.00 C ATOM 745 C ARG A 556 34.159 -1.144 19.692 1.00 38.53 C ATOM 746 O ARG A 556 35.315 -0.793 19.515 1.00 38.41 O ATOM 747 CB ARG A 556 32.688 0.179 21.164 1.00 38.86 C ATOM 748 CG ARG A 556 31.749 0.164 22.337 1.00 41.71 C ATOM 749 CD ARG A 556 30.728 1.285 22.282 1.00 44.17 C ATOM 750 NE ARG A 556 29.837 1.141 23.425 1.00 46.83 N ATOM 751 CZ ARG A 556 28.726 0.398 23.448 1.00 49.46 C ATOM 752 NH1 ARG A 556 28.026 0.373 24.575 1.00 51.35 N ATOM 753 NH2 ARG A 556 28.290 -0.293 22.368 1.00 45.92 N ATOM 0 H ARG A 556 34.687 -0.457 22.556 1.00 38.73 H new ATOM 0 HA ARG A 556 32.982 -1.890 21.163 1.00 39.00 H new ATOM 0 HB2 ARG A 556 33.276 0.948 21.233 1.00 38.86 H new ATOM 0 HB3 ARG A 556 32.178 0.284 20.346 1.00 38.86 H new ATOM 0 HG2 ARG A 556 31.287 -0.688 22.366 1.00 41.71 H new ATOM 0 HG3 ARG A 556 32.261 0.237 23.158 1.00 41.71 H new ATOM 0 HD2 ARG A 556 31.171 2.148 22.304 1.00 44.17 H new ATOM 0 HD3 ARG A 556 30.225 1.245 21.453 1.00 44.17 H new ATOM 0 HE ARG A 556 30.042 1.568 24.143 1.00 46.83 H new ATOM 0 HH11 ARG A 556 28.292 0.825 25.257 1.00 51.35 H new ATOM 0 HH12 ARG A 556 27.306 -0.095 24.624 1.00 51.35 H new ATOM 0 HH21 ARG A 556 28.733 -0.264 21.631 1.00 45.92 H new ATOM 0 HH22 ARG A 556 27.570 -0.761 22.419 1.00 45.92 H new ATOM 754 N CYS A 557 33.346 -1.536 18.714 1.00 37.84 N ATOM 755 CA CYS A 557 33.734 -1.637 17.329 1.00 36.81 C ATOM 756 C CYS A 557 32.673 -0.955 16.502 1.00 36.70 C ATOM 757 O CYS A 557 31.507 -0.900 16.920 1.00 36.30 O ATOM 758 CB CYS A 557 33.851 -3.099 16.918 1.00 36.16 C ATOM 759 SG CYS A 557 35.106 -3.964 17.881 1.00 39.06 S ATOM 0 H CYS A 557 32.526 -1.756 18.853 1.00 37.84 H new ATOM 0 HA CYS A 557 34.597 -1.215 17.192 1.00 36.81 H new ATOM 0 HB2 CYS A 557 32.994 -3.538 17.035 1.00 36.16 H new ATOM 0 HB3 CYS A 557 34.072 -3.154 15.975 1.00 36.16 H new ATOM 0 HG CYS A 557 34.687 -5.039 18.212 1.00 39.06 H new ATOM 760 N PHE A 558 33.099 -0.420 15.352 1.00 35.87 N ATOM 761 CA PHE A 558 32.251 0.249 14.392 1.00 36.59 C ATOM 762 C PHE A 558 32.667 -0.199 13.009 1.00 37.26 C ATOM 763 O PHE A 558 33.857 -0.090 12.662 1.00 37.61 O ATOM 764 CB PHE A 558 32.426 1.772 14.497 1.00 36.38 C ATOM 765 CG PHE A 558 31.812 2.371 15.746 1.00 36.84 C ATOM 766 CD1 PHE A 558 32.490 2.334 16.956 1.00 36.57 C ATOM 767 CD2 PHE A 558 30.554 2.962 15.703 1.00 37.89 C ATOM 768 CE1 PHE A 558 31.935 2.867 18.115 1.00 36.71 C ATOM 769 CE2 PHE A 558 29.983 3.521 16.871 1.00 37.86 C ATOM 770 CZ PHE A 558 30.683 3.467 18.066 1.00 37.20 C ATOM 0 H PHE A 558 33.924 -0.444 15.111 1.00 35.87 H new ATOM 0 HA PHE A 558 31.322 0.028 14.565 1.00 36.59 H new ATOM 0 HB2 PHE A 558 33.373 1.983 14.479 1.00 36.38 H new ATOM 0 HB3 PHE A 558 32.027 2.190 13.718 1.00 36.38 H new ATOM 0 HD1 PHE A 558 33.334 1.944 16.993 1.00 36.57 H new ATOM 0 HD2 PHE A 558 30.084 2.990 14.901 1.00 37.89 H new ATOM 0 HE1 PHE A 558 32.400 2.822 18.919 1.00 36.71 H new ATOM 0 HE2 PHE A 558 29.144 3.922 16.837 1.00 37.86 H new ATOM 0 HZ PHE A 558 30.314 3.833 18.837 1.00 37.20 H new ATOM 771 N CYS A 559 31.722 -0.704 12.211 1.00 36.71 N ATOM 772 CA CYS A 559 32.097 -1.284 10.924 1.00 37.01 C ATOM 773 C CYS A 559 32.304 -0.168 9.903 1.00 37.13 C ATOM 774 O CYS A 559 31.779 0.956 10.082 1.00 36.28 O ATOM 775 CB CYS A 559 31.079 -2.321 10.426 1.00 35.76 C ATOM 776 SG CYS A 559 29.543 -1.565 9.796 1.00 39.29 S ATOM 0 H CYS A 559 30.881 -0.720 12.391 1.00 36.71 H new ATOM 0 HA CYS A 559 32.930 -1.766 11.043 1.00 37.01 H new ATOM 0 HB2 CYS A 559 31.484 -2.853 9.723 1.00 35.76 H new ATOM 0 HB3 CYS A 559 30.861 -2.928 11.151 1.00 35.76 H new ATOM 777 N VAL A 560 33.058 -0.474 8.841 1.00 37.03 N ATOM 778 CA VAL A 560 33.364 0.551 7.844 1.00 38.54 C ATOM 779 C VAL A 560 32.130 1.051 7.095 1.00 39.25 C ATOM 780 O VAL A 560 32.082 2.213 6.679 1.00 38.94 O ATOM 781 CB VAL A 560 34.587 0.202 6.901 1.00 38.20 C ATOM 782 CG1 VAL A 560 35.125 -1.158 7.156 1.00 39.28 C ATOM 783 CG2 VAL A 560 34.266 0.413 5.422 1.00 39.29 C ATOM 0 H VAL A 560 33.393 -1.250 8.684 1.00 37.03 H new ATOM 0 HA VAL A 560 33.677 1.310 8.360 1.00 38.54 H new ATOM 0 HB VAL A 560 35.288 0.833 7.128 1.00 38.20 H new ATOM 0 HG11 VAL A 560 35.870 -1.329 6.559 1.00 39.28 H new ATOM 0 HG12 VAL A 560 35.428 -1.219 8.075 1.00 39.28 H new ATOM 0 HG13 VAL A 560 34.429 -1.816 7.001 1.00 39.28 H new ATOM 0 HG21 VAL A 560 35.043 0.187 4.887 1.00 39.29 H new ATOM 0 HG22 VAL A 560 33.522 -0.155 5.168 1.00 39.29 H new ATOM 0 HG23 VAL A 560 34.029 1.341 5.271 1.00 39.29 H new ATOM 784 N GLU A 561 31.127 0.180 6.956 1.00 41.01 N ATOM 785 CA GLU A 561 29.897 0.556 6.276 1.00 43.10 C ATOM 786 C GLU A 561 29.158 1.657 7.040 1.00 41.96 C ATOM 787 O GLU A 561 28.836 2.681 6.454 1.00 42.17 O ATOM 788 CB GLU A 561 28.983 -0.640 5.960 1.00 43.06 C ATOM 789 CG GLU A 561 27.642 -0.186 5.285 1.00 47.20 C ATOM 790 CD GLU A 561 26.634 -1.320 4.996 1.00 48.09 C ATOM 791 OE1 GLU A 561 27.035 -2.370 4.419 1.00 53.41 O ATOM 792 OE2 GLU A 561 25.429 -1.141 5.337 1.00 54.16 O ATOM 0 H GLU A 561 31.143 -0.629 7.249 1.00 41.01 H new ATOM 0 HA GLU A 561 30.159 0.915 5.414 1.00 43.10 H new ATOM 0 HB2 GLU A 561 29.448 -1.256 5.373 1.00 43.06 H new ATOM 0 HB3 GLU A 561 28.786 -1.122 6.779 1.00 43.06 H new ATOM 0 HG2 GLU A 561 27.214 0.469 5.858 1.00 47.20 H new ATOM 0 HG3 GLU A 561 27.852 0.261 4.450 1.00 47.20 H new ATOM 793 N CYS A 562 28.931 1.473 8.340 1.00 41.59 N ATOM 794 CA CYS A 562 28.223 2.484 9.130 1.00 41.19 C ATOM 795 C CYS A 562 29.033 3.754 9.261 1.00 41.11 C ATOM 796 O CYS A 562 28.482 4.855 9.245 1.00 41.56 O ATOM 797 CB CYS A 562 27.873 1.946 10.530 1.00 41.44 C ATOM 798 SG CYS A 562 26.598 0.676 10.451 1.00 42.88 S ATOM 0 H CYS A 562 29.176 0.777 8.782 1.00 41.59 H new ATOM 0 HA CYS A 562 27.402 2.691 8.656 1.00 41.19 H new ATOM 0 HB2 CYS A 562 28.670 1.581 10.946 1.00 41.44 H new ATOM 0 HB3 CYS A 562 27.569 2.676 11.092 1.00 41.44 H new ATOM 799 N VAL A 563 30.346 3.621 9.384 1.00 40.34 N ATOM 800 CA VAL A 563 31.193 4.820 9.466 1.00 40.05 C ATOM 801 C VAL A 563 31.127 5.656 8.178 1.00 39.90 C ATOM 802 O VAL A 563 30.787 6.838 8.224 1.00 39.16 O ATOM 803 CB VAL A 563 32.633 4.463 9.876 1.00 40.39 C ATOM 804 CG1 VAL A 563 33.554 5.686 9.824 1.00 40.11 C ATOM 805 CG2 VAL A 563 32.619 3.800 11.263 1.00 38.38 C ATOM 0 H VAL A 563 30.764 2.871 9.422 1.00 40.34 H new ATOM 0 HA VAL A 563 30.838 5.385 10.170 1.00 40.05 H new ATOM 0 HB VAL A 563 32.997 3.829 9.239 1.00 40.39 H new ATOM 0 HG11 VAL A 563 34.451 5.427 10.087 1.00 40.11 H new ATOM 0 HG12 VAL A 563 33.572 6.040 8.921 1.00 40.11 H new ATOM 0 HG13 VAL A 563 33.223 6.367 10.431 1.00 40.11 H new ATOM 0 HG21 VAL A 563 33.526 3.574 11.523 1.00 38.38 H new ATOM 0 HG22 VAL A 563 32.240 4.414 11.912 1.00 38.38 H new ATOM 0 HG23 VAL A 563 32.082 2.993 11.231 1.00 38.38 H new ATOM 806 N ASP A 564 31.397 5.037 7.034 1.00 40.16 N ATOM 807 CA ASP A 564 31.301 5.753 5.767 1.00 40.94 C ATOM 808 C ASP A 564 29.910 6.301 5.525 1.00 40.62 C ATOM 809 O ASP A 564 29.769 7.399 5.015 1.00 40.40 O ATOM 810 CB ASP A 564 31.719 4.880 4.601 1.00 41.58 C ATOM 811 CG ASP A 564 33.235 4.643 4.561 1.00 45.22 C ATOM 812 OD1 ASP A 564 34.024 5.467 5.109 1.00 45.79 O ATOM 813 OD2 ASP A 564 33.627 3.609 3.976 1.00 50.03 O ATOM 0 H ASP A 564 31.635 4.213 6.969 1.00 40.16 H new ATOM 0 HA ASP A 564 31.914 6.502 5.831 1.00 40.94 H new ATOM 0 HB2 ASP A 564 31.262 4.026 4.659 1.00 41.58 H new ATOM 0 HB3 ASP A 564 31.437 5.296 3.771 1.00 41.58 H new ATOM 814 N LEU A 565 28.897 5.537 5.934 1.00 40.46 N ATOM 815 CA LEU A 565 27.491 5.914 5.763 1.00 39.74 C ATOM 816 C LEU A 565 27.035 7.063 6.673 1.00 38.98 C ATOM 817 O LEU A 565 26.430 8.009 6.197 1.00 38.31 O ATOM 818 CB LEU A 565 26.613 4.679 6.001 1.00 39.81 C ATOM 819 CG LEU A 565 25.108 4.726 5.773 1.00 40.51 C ATOM 820 CD1 LEU A 565 24.811 5.007 4.307 1.00 39.74 C ATOM 821 CD2 LEU A 565 24.523 3.400 6.195 1.00 41.04 C ATOM 0 H LEU A 565 29.007 4.778 6.322 1.00 40.46 H new ATOM 0 HA LEU A 565 27.397 6.243 4.856 1.00 39.74 H new ATOM 0 HB2 LEU A 565 26.963 3.970 5.439 1.00 39.81 H new ATOM 0 HB3 LEU A 565 26.752 4.406 6.921 1.00 39.81 H new ATOM 0 HG LEU A 565 24.710 5.438 6.298 1.00 40.51 H new ATOM 0 HD11 LEU A 565 23.851 5.035 4.171 1.00 39.74 H new ATOM 0 HD12 LEU A 565 25.198 5.860 4.056 1.00 39.74 H new ATOM 0 HD13 LEU A 565 25.194 4.305 3.759 1.00 39.74 H new ATOM 0 HD21 LEU A 565 23.563 3.411 6.057 1.00 41.04 H new ATOM 0 HD22 LEU A 565 24.917 2.689 5.666 1.00 41.04 H new ATOM 0 HD23 LEU A 565 24.712 3.247 7.134 1.00 41.04 H new ATOM 822 N LEU A 566 27.297 6.953 7.977 1.00 38.06 N ATOM 823 CA LEU A 566 26.806 7.916 8.967 1.00 38.03 C ATOM 824 C LEU A 566 27.761 9.061 9.325 1.00 38.10 C ATOM 825 O LEU A 566 27.323 10.196 9.574 1.00 38.48 O ATOM 826 CB LEU A 566 26.410 7.177 10.251 1.00 37.81 C ATOM 827 CG LEU A 566 25.171 6.270 10.062 1.00 37.31 C ATOM 828 CD1 LEU A 566 24.952 5.468 11.294 1.00 40.45 C ATOM 829 CD2 LEU A 566 23.931 7.099 9.806 1.00 35.08 C ATOM 0 H LEU A 566 27.766 6.316 8.314 1.00 38.06 H new ATOM 0 HA LEU A 566 26.047 8.341 8.538 1.00 38.03 H new ATOM 0 HB2 LEU A 566 27.158 6.638 10.553 1.00 37.81 H new ATOM 0 HB3 LEU A 566 26.228 7.825 10.949 1.00 37.81 H new ATOM 0 HG LEU A 566 25.332 5.691 9.301 1.00 37.31 H new ATOM 0 HD11 LEU A 566 24.175 4.899 11.176 1.00 40.45 H new ATOM 0 HD12 LEU A 566 25.732 4.918 11.465 1.00 40.45 H new ATOM 0 HD13 LEU A 566 24.805 6.063 12.046 1.00 40.45 H new ATOM 0 HD21 LEU A 566 23.167 6.512 9.691 1.00 35.08 H new ATOM 0 HD22 LEU A 566 23.774 7.688 10.560 1.00 35.08 H new ATOM 0 HD23 LEU A 566 24.056 7.628 9.003 1.00 35.08 H new ATOM 830 N VAL A 567 29.056 8.781 9.369 1.00 37.44 N ATOM 831 CA VAL A 567 30.023 9.848 9.594 1.00 36.73 C ATOM 832 C VAL A 567 30.361 10.539 8.276 1.00 37.13 C ATOM 833 O VAL A 567 30.318 11.777 8.183 1.00 37.13 O ATOM 834 CB VAL A 567 31.286 9.347 10.330 1.00 36.85 C ATOM 835 CG1 VAL A 567 32.240 10.509 10.557 1.00 35.49 C ATOM 836 CG2 VAL A 567 30.885 8.665 11.657 1.00 33.57 C ATOM 0 H VAL A 567 29.392 7.995 9.273 1.00 37.44 H new ATOM 0 HA VAL A 567 29.616 10.503 10.182 1.00 36.73 H new ATOM 0 HB VAL A 567 31.745 8.687 9.787 1.00 36.85 H new ATOM 0 HG11 VAL A 567 33.032 10.192 11.019 1.00 35.49 H new ATOM 0 HG12 VAL A 567 32.495 10.890 9.702 1.00 35.49 H new ATOM 0 HG13 VAL A 567 31.802 11.187 11.095 1.00 35.49 H new ATOM 0 HG21 VAL A 567 31.681 8.353 12.114 1.00 33.57 H new ATOM 0 HG22 VAL A 567 30.418 9.302 12.220 1.00 33.57 H new ATOM 0 HG23 VAL A 567 30.303 7.911 11.471 1.00 33.57 H new ATOM 837 N GLY A 568 30.665 9.741 7.254 1.00 36.89 N ATOM 838 CA GLY A 568 30.815 10.269 5.909 1.00 36.51 C ATOM 839 C GLY A 568 31.835 9.498 5.095 1.00 36.22 C ATOM 840 O GLY A 568 32.686 8.793 5.660 1.00 36.43 O ATOM 0 H GLY A 568 30.788 8.893 7.322 1.00 36.89 H new ATOM 0 HA2 GLY A 568 29.957 10.243 5.457 1.00 36.51 H new ATOM 0 HA3 GLY A 568 31.081 11.200 5.958 1.00 36.51 H new ATOM 841 N PRO A 569 31.760 9.623 3.755 1.00 35.86 N ATOM 842 CA PRO A 569 32.750 8.960 2.915 1.00 35.51 C ATOM 843 C PRO A 569 34.147 9.462 3.278 1.00 35.45 C ATOM 844 O PRO A 569 34.354 10.681 3.431 1.00 35.64 O ATOM 845 CB PRO A 569 32.363 9.399 1.494 1.00 35.40 C ATOM 846 CG PRO A 569 30.965 9.850 1.596 1.00 35.77 C ATOM 847 CD PRO A 569 30.774 10.384 2.965 1.00 35.27 C ATOM 0 HA PRO A 569 32.765 7.995 3.015 1.00 35.51 H new ATOM 0 HB2 PRO A 569 32.939 10.113 1.179 1.00 35.40 H new ATOM 0 HB3 PRO A 569 32.450 8.666 0.865 1.00 35.40 H new ATOM 0 HG2 PRO A 569 30.777 10.533 0.933 1.00 35.77 H new ATOM 0 HG3 PRO A 569 30.355 9.115 1.427 1.00 35.77 H new ATOM 0 HD2 PRO A 569 30.941 11.339 3.005 1.00 35.27 H new ATOM 0 HD3 PRO A 569 29.869 10.240 3.284 1.00 35.27 H new ATOM 848 N GLY A 570 35.088 8.532 3.421 1.00 34.96 N ATOM 849 CA GLY A 570 36.459 8.876 3.806 1.00 34.51 C ATOM 850 C GLY A 570 36.736 8.658 5.281 1.00 34.39 C ATOM 851 O GLY A 570 37.863 8.382 5.667 1.00 33.98 O ATOM 0 H GLY A 570 34.954 7.691 3.299 1.00 34.96 H new ATOM 0 HA2 GLY A 570 37.079 8.343 3.284 1.00 34.51 H new ATOM 0 HA3 GLY A 570 36.628 9.805 3.585 1.00 34.51 H new ATOM 852 N ALA A 571 35.684 8.749 6.100 1.00 34.76 N ATOM 853 CA ALA A 571 35.787 8.710 7.555 1.00 34.41 C ATOM 854 C ALA A 571 36.404 7.432 8.104 1.00 34.85 C ATOM 855 O ALA A 571 37.140 7.488 9.101 1.00 35.36 O ATOM 856 CB ALA A 571 34.435 8.943 8.189 1.00 34.05 C ATOM 0 H ALA A 571 34.877 8.837 5.816 1.00 34.76 H new ATOM 0 HA ALA A 571 36.396 9.427 7.791 1.00 34.41 H new ATOM 0 HB1 ALA A 571 34.521 8.914 9.155 1.00 34.05 H new ATOM 0 HB2 ALA A 571 34.097 9.812 7.921 1.00 34.05 H new ATOM 0 HB3 ALA A 571 33.818 8.253 7.899 1.00 34.05 H new ATOM 857 N ALA A 572 36.104 6.290 7.485 1.00 34.14 N ATOM 858 CA ALA A 572 36.636 5.018 7.980 1.00 33.93 C ATOM 859 C ALA A 572 38.137 4.989 7.760 1.00 34.08 C ATOM 860 O ALA A 572 38.917 4.723 8.683 1.00 34.72 O ATOM 861 CB ALA A 572 35.958 3.838 7.284 1.00 33.65 C ATOM 0 H ALA A 572 35.603 6.229 6.789 1.00 34.14 H new ATOM 0 HA ALA A 572 36.451 4.940 8.929 1.00 33.93 H new ATOM 0 HB1 ALA A 572 36.324 3.007 7.625 1.00 33.65 H new ATOM 0 HB2 ALA A 572 35.004 3.865 7.456 1.00 33.65 H new ATOM 0 HB3 ALA A 572 36.116 3.892 6.328 1.00 33.65 H new ATOM 862 N GLN A 573 38.540 5.302 6.535 1.00 33.38 N ATOM 863 CA GLN A 573 39.939 5.256 6.166 1.00 33.26 C ATOM 864 C GLN A 573 40.749 6.257 6.998 1.00 32.72 C ATOM 865 O GLN A 573 41.860 5.953 7.424 1.00 32.31 O ATOM 866 CB GLN A 573 40.100 5.467 4.656 1.00 32.94 C ATOM 867 CG GLN A 573 41.509 5.216 4.132 1.00 35.16 C ATOM 868 CD GLN A 573 42.029 3.810 4.423 1.00 36.54 C ATOM 869 OE1 GLN A 573 41.266 2.842 4.473 1.00 37.87 O ATOM 870 NE2 GLN A 573 43.334 3.699 4.625 1.00 36.29 N ATOM 0 H GLN A 573 38.012 5.545 5.901 1.00 33.38 H new ATOM 0 HA GLN A 573 40.295 4.376 6.366 1.00 33.26 H new ATOM 0 HB2 GLN A 573 39.484 4.879 4.191 1.00 32.94 H new ATOM 0 HB3 GLN A 573 39.843 6.377 4.438 1.00 32.94 H new ATOM 0 HG2 GLN A 573 41.521 5.365 3.174 1.00 35.16 H new ATOM 0 HG3 GLN A 573 42.113 5.864 4.527 1.00 35.16 H new ATOM 0 HE21 GLN A 573 43.836 4.396 4.582 1.00 36.29 H new ATOM 0 HE22 GLN A 573 43.678 2.930 4.799 1.00 36.29 H new ATOM 871 N ALA A 574 40.162 7.421 7.262 1.00 32.63 N ATOM 872 CA ALA A 574 40.770 8.421 8.142 1.00 33.05 C ATOM 873 C ALA A 574 40.950 7.903 9.568 1.00 33.44 C ATOM 874 O ALA A 574 41.981 8.143 10.175 1.00 33.38 O ATOM 875 CB ALA A 574 39.962 9.711 8.141 1.00 32.76 C ATOM 0 H ALA A 574 39.401 7.655 6.937 1.00 32.63 H new ATOM 0 HA ALA A 574 41.654 8.607 7.788 1.00 33.05 H new ATOM 0 HB1 ALA A 574 40.383 10.357 8.730 1.00 32.76 H new ATOM 0 HB2 ALA A 574 39.926 10.070 7.241 1.00 32.76 H new ATOM 0 HB3 ALA A 574 39.061 9.529 8.452 1.00 32.76 H new ATOM 876 N ALA A 575 39.947 7.189 10.092 1.00 34.45 N ATOM 877 CA ALA A 575 40.039 6.564 11.423 1.00 34.96 C ATOM 878 C ALA A 575 41.086 5.452 11.446 1.00 35.60 C ATOM 879 O ALA A 575 41.935 5.405 12.347 1.00 35.83 O ATOM 880 CB ALA A 575 38.694 6.047 11.859 1.00 35.13 C ATOM 0 H ALA A 575 39.199 7.053 9.691 1.00 34.45 H new ATOM 0 HA ALA A 575 40.323 7.245 12.053 1.00 34.96 H new ATOM 0 HB1 ALA A 575 38.772 5.639 12.736 1.00 35.13 H new ATOM 0 HB2 ALA A 575 38.062 6.782 11.900 1.00 35.13 H new ATOM 0 HB3 ALA A 575 38.379 5.386 11.223 1.00 35.13 H new ATOM 881 N ILE A 576 41.050 4.576 10.441 1.00 36.25 N ATOM 882 CA ILE A 576 42.072 3.527 10.297 1.00 36.73 C ATOM 883 C ILE A 576 43.490 4.100 10.388 1.00 37.30 C ATOM 884 O ILE A 576 44.357 3.508 11.043 1.00 37.34 O ATOM 885 CB ILE A 576 41.901 2.701 8.985 1.00 36.73 C ATOM 886 CG1 ILE A 576 40.540 1.999 8.957 1.00 36.67 C ATOM 887 CG2 ILE A 576 43.045 1.689 8.806 1.00 36.98 C ATOM 888 CD1 ILE A 576 40.144 1.409 7.595 1.00 36.62 C ATOM 0 H ILE A 576 40.444 4.569 9.831 1.00 36.25 H new ATOM 0 HA ILE A 576 41.940 2.920 11.042 1.00 36.73 H new ATOM 0 HB ILE A 576 41.938 3.320 8.239 1.00 36.73 H new ATOM 0 HG12 ILE A 576 40.545 1.286 9.614 1.00 36.67 H new ATOM 0 HG13 ILE A 576 39.858 2.632 9.231 1.00 36.67 H new ATOM 0 HG21 ILE A 576 42.912 1.192 7.984 1.00 36.98 H new ATOM 0 HG22 ILE A 576 43.891 2.161 8.764 1.00 36.98 H new ATOM 0 HG23 ILE A 576 43.055 1.075 9.557 1.00 36.98 H new ATOM 0 HD11 ILE A 576 39.274 0.986 7.666 1.00 36.62 H new ATOM 0 HD12 ILE A 576 40.105 2.118 6.934 1.00 36.62 H new ATOM 0 HD13 ILE A 576 40.802 0.750 7.324 1.00 36.62 H new ATOM 889 N LYS A 577 43.732 5.247 9.754 1.00 38.00 N ATOM 890 CA LYS A 577 45.077 5.846 9.803 1.00 38.84 C ATOM 891 C LYS A 577 45.289 6.926 10.877 1.00 39.37 C ATOM 892 O LYS A 577 46.295 7.631 10.869 1.00 39.52 O ATOM 893 CB LYS A 577 45.586 6.278 8.410 1.00 38.93 C ATOM 894 CG LYS A 577 44.768 7.318 7.641 1.00 38.92 C ATOM 895 CD LYS A 577 45.317 7.428 6.208 1.00 39.12 C ATOM 896 CE LYS A 577 44.822 8.659 5.470 1.00 38.87 C ATOM 897 NZ LYS A 577 45.603 8.859 4.202 1.00 38.85 N ATOM 0 H LYS A 577 43.151 5.689 9.299 1.00 38.00 H new ATOM 0 HA LYS A 577 45.642 5.117 10.103 1.00 38.84 H new ATOM 0 HB2 LYS A 577 46.485 6.626 8.516 1.00 38.93 H new ATOM 0 HB3 LYS A 577 45.652 5.483 7.858 1.00 38.93 H new ATOM 0 HG2 LYS A 577 43.833 7.062 7.623 1.00 38.92 H new ATOM 0 HG3 LYS A 577 44.818 8.179 8.086 1.00 38.92 H new ATOM 0 HD2 LYS A 577 46.286 7.445 6.240 1.00 39.12 H new ATOM 0 HD3 LYS A 577 45.064 6.636 5.709 1.00 39.12 H new ATOM 0 HE2 LYS A 577 43.879 8.562 5.264 1.00 38.87 H new ATOM 0 HE3 LYS A 577 44.910 9.441 6.038 1.00 38.87 H new ATOM 0 HZ1 LYS A 577 45.303 9.583 3.780 1.00 38.85 H new ATOM 0 HZ2 LYS A 577 46.465 8.966 4.398 1.00 38.85 H new ATOM 0 HZ3 LYS A 577 45.504 8.147 3.677 1.00 38.85 H new ATOM 898 N GLU A 578 44.344 7.040 11.805 1.00 40.15 N ATOM 899 CA GLU A 578 44.540 7.855 13.001 1.00 41.11 C ATOM 900 C GLU A 578 44.977 6.953 14.154 1.00 40.84 C ATOM 901 O GLU A 578 44.340 5.930 14.421 1.00 41.04 O ATOM 902 CB GLU A 578 43.253 8.586 13.360 1.00 40.87 C ATOM 903 CG GLU A 578 43.408 9.622 14.456 1.00 42.19 C ATOM 904 CD GLU A 578 42.088 10.314 14.824 1.00 43.43 C ATOM 905 OE1 GLU A 578 40.989 9.910 14.356 1.00 43.70 O ATOM 906 OE2 GLU A 578 42.166 11.294 15.601 1.00 48.90 O ATOM 0 H GLU A 578 43.578 6.651 11.761 1.00 40.15 H new ATOM 0 HA GLU A 578 45.227 8.518 12.831 1.00 41.11 H new ATOM 0 HB2 GLU A 578 42.908 9.021 12.565 1.00 40.87 H new ATOM 0 HB3 GLU A 578 42.590 7.934 13.637 1.00 40.87 H new ATOM 0 HG2 GLU A 578 43.774 9.196 15.247 1.00 42.19 H new ATOM 0 HG3 GLU A 578 44.049 10.292 14.172 1.00 42.19 H new ATOM 907 N ASP A 579 46.050 7.336 14.841 1.00 40.47 N ATOM 908 CA ASP A 579 46.584 6.524 15.931 1.00 40.51 C ATOM 909 C ASP A 579 47.184 7.347 17.071 1.00 40.25 C ATOM 910 O ASP A 579 48.143 8.080 16.843 1.00 39.98 O ATOM 911 CB ASP A 579 47.660 5.576 15.402 1.00 40.76 C ATOM 912 CG ASP A 579 48.033 4.520 16.411 1.00 41.38 C ATOM 913 OD1 ASP A 579 47.098 3.964 17.043 1.00 43.06 O ATOM 914 OD2 ASP A 579 49.241 4.240 16.569 1.00 39.88 O ATOM 0 H ASP A 579 46.484 8.063 14.692 1.00 40.47 H new ATOM 0 HA ASP A 579 45.828 6.033 16.290 1.00 40.51 H new ATOM 0 HB2 ASP A 579 47.342 5.149 14.591 1.00 40.76 H new ATOM 0 HB3 ASP A 579 48.450 6.086 15.163 1.00 40.76 H new ATOM 915 N PRO A 580 46.653 7.208 18.306 1.00 40.04 N ATOM 916 CA PRO A 580 45.515 6.396 18.757 1.00 39.94 C ATOM 917 C PRO A 580 44.164 6.948 18.314 1.00 39.58 C ATOM 918 O PRO A 580 44.034 8.153 18.084 1.00 39.87 O ATOM 919 CB PRO A 580 45.615 6.468 20.283 1.00 39.95 C ATOM 920 CG PRO A 580 46.302 7.756 20.547 1.00 40.41 C ATOM 921 CD PRO A 580 47.285 7.925 19.431 1.00 40.07 C ATOM 0 HA PRO A 580 45.558 5.501 18.385 1.00 39.94 H new ATOM 0 HB2 PRO A 580 44.738 6.444 20.696 1.00 39.95 H new ATOM 0 HB3 PRO A 580 46.118 5.719 20.640 1.00 39.95 H new ATOM 0 HG2 PRO A 580 45.669 8.491 20.568 1.00 40.41 H new ATOM 0 HG3 PRO A 580 46.750 7.742 21.407 1.00 40.41 H new ATOM 0 HD2 PRO A 580 47.431 8.861 19.222 1.00 40.07 H new ATOM 0 HD3 PRO A 580 48.149 7.547 19.656 1.00 40.07 H new ATOM 922 N TRP A 581 43.177 6.066 18.202 1.00 38.74 N ATOM 923 CA TRP A 581 41.840 6.453 17.760 1.00 38.09 C ATOM 924 C TRP A 581 40.815 6.157 18.847 1.00 38.19 C ATOM 925 O TRP A 581 40.809 5.065 19.401 1.00 38.34 O ATOM 926 CB TRP A 581 41.459 5.720 16.473 1.00 37.21 C ATOM 927 CG TRP A 581 40.076 6.079 15.964 1.00 37.09 C ATOM 928 CD1 TRP A 581 39.711 7.239 15.342 1.00 36.03 C ATOM 929 CD2 TRP A 581 38.885 5.272 16.037 1.00 35.86 C ATOM 930 NE1 TRP A 581 38.375 7.207 15.018 1.00 35.52 N ATOM 931 CE2 TRP A 581 37.841 6.015 15.432 1.00 36.09 C ATOM 932 CE3 TRP A 581 38.598 3.999 16.559 1.00 34.83 C ATOM 933 CZ2 TRP A 581 36.522 5.526 15.330 1.00 36.87 C ATOM 934 CZ3 TRP A 581 37.290 3.505 16.455 1.00 35.55 C ATOM 935 CH2 TRP A 581 36.266 4.274 15.848 1.00 36.73 C ATOM 0 H TRP A 581 43.262 5.229 18.379 1.00 38.74 H new ATOM 0 HA TRP A 581 41.847 7.407 17.582 1.00 38.09 H new ATOM 0 HB2 TRP A 581 42.113 5.925 15.786 1.00 37.21 H new ATOM 0 HB3 TRP A 581 41.501 4.763 16.629 1.00 37.21 H new ATOM 0 HD1 TRP A 581 40.284 7.949 15.163 1.00 36.03 H new ATOM 0 HE1 TRP A 581 37.943 7.835 14.619 1.00 35.52 H new ATOM 0 HE3 TRP A 581 39.264 3.493 16.966 1.00 34.83 H new ATOM 0 HZ2 TRP A 581 35.850 6.029 14.929 1.00 36.87 H new ATOM 0 HZ3 TRP A 581 37.091 2.660 16.789 1.00 35.55 H new ATOM 0 HH2 TRP A 581 35.404 3.927 15.798 1.00 36.73 H new ATOM 936 N ASN A 582 39.966 7.137 19.157 1.00 38.07 N ATOM 937 CA ASN A 582 38.885 6.954 20.114 1.00 38.02 C ATOM 938 C ASN A 582 37.592 6.906 19.362 1.00 37.92 C ATOM 939 O ASN A 582 37.351 7.762 18.522 1.00 37.54 O ATOM 940 CB ASN A 582 38.819 8.111 21.097 1.00 38.10 C ATOM 941 CG ASN A 582 39.988 8.141 22.029 1.00 39.65 C ATOM 942 OD1 ASN A 582 40.332 7.131 22.645 1.00 42.22 O ATOM 943 ND2 ASN A 582 40.615 9.304 22.148 1.00 38.80 N ATOM 0 H ASN A 582 40.004 7.926 18.816 1.00 38.07 H new ATOM 0 HA ASN A 582 39.043 6.133 20.607 1.00 38.02 H new ATOM 0 HB2 ASN A 582 38.780 8.946 20.606 1.00 38.10 H new ATOM 0 HB3 ASN A 582 38.000 8.046 21.613 1.00 38.10 H new ATOM 0 HD21 ASN A 582 41.293 9.375 22.673 1.00 38.80 H new ATOM 0 HD22 ASN A 582 40.344 9.986 21.700 1.00 38.80 H new ATOM 944 N CYS A 583 36.750 5.924 19.675 1.00 37.99 N ATOM 945 CA CYS A 583 35.524 5.715 18.915 1.00 38.32 C ATOM 946 C CYS A 583 34.522 6.844 19.175 1.00 37.82 C ATOM 947 O CYS A 583 34.768 7.765 19.960 1.00 37.83 O ATOM 948 CB CYS A 583 34.920 4.356 19.253 1.00 38.62 C ATOM 949 SG CYS A 583 33.878 4.369 20.751 1.00 39.95 S ATOM 0 H CYS A 583 36.871 5.370 20.322 1.00 37.99 H new ATOM 0 HA CYS A 583 35.741 5.726 17.970 1.00 38.32 H new ATOM 0 HB2 CYS A 583 34.388 4.051 18.501 1.00 38.62 H new ATOM 0 HB3 CYS A 583 35.636 3.713 19.373 1.00 38.62 H new ATOM 950 N TYR A 584 33.385 6.756 18.529 1.00 38.07 N ATOM 951 CA TYR A 584 32.376 7.815 18.574 1.00 38.60 C ATOM 952 C TYR A 584 31.664 7.877 19.928 1.00 39.31 C ATOM 953 O TYR A 584 31.007 8.879 20.234 1.00 39.64 O ATOM 954 CB TYR A 584 31.394 7.633 17.418 1.00 37.52 C ATOM 955 CG TYR A 584 32.152 7.496 16.112 1.00 38.89 C ATOM 956 CD1 TYR A 584 32.292 6.250 15.479 1.00 38.56 C ATOM 957 CD2 TYR A 584 32.795 8.605 15.544 1.00 38.56 C ATOM 958 CE1 TYR A 584 33.028 6.125 14.307 1.00 39.21 C ATOM 959 CE2 TYR A 584 33.525 8.492 14.377 1.00 38.53 C ATOM 960 CZ TYR A 584 33.642 7.255 13.761 1.00 39.15 C ATOM 961 OH TYR A 584 34.382 7.165 12.601 1.00 39.44 O ATOM 0 H TYR A 584 33.164 6.080 18.045 1.00 38.07 H new ATOM 0 HA TYR A 584 32.822 8.670 18.471 1.00 38.60 H new ATOM 0 HB2 TYR A 584 30.848 6.845 17.568 1.00 37.52 H new ATOM 0 HB3 TYR A 584 30.791 8.392 17.373 1.00 37.52 H new ATOM 0 HD1 TYR A 584 31.887 5.499 15.849 1.00 38.56 H new ATOM 0 HD2 TYR A 584 32.729 9.433 15.961 1.00 38.56 H new ATOM 0 HE1 TYR A 584 33.111 5.298 13.890 1.00 39.21 H new ATOM 0 HE2 TYR A 584 33.935 9.240 14.007 1.00 38.53 H new ATOM 0 HH TYR A 584 34.684 7.923 12.401 1.00 39.44 H new ATOM 962 N MET A 585 31.814 6.822 20.734 1.00 39.61 N ATOM 963 CA MET A 585 31.306 6.840 22.093 1.00 40.69 C ATOM 964 C MET A 585 32.288 7.509 23.048 1.00 41.79 C ATOM 965 O MET A 585 31.874 8.068 24.061 1.00 42.83 O ATOM 966 CB MET A 585 30.952 5.420 22.573 1.00 40.81 C ATOM 967 CG MET A 585 29.663 4.853 21.918 1.00 39.98 C ATOM 968 SD MET A 585 28.261 5.970 22.196 1.00 44.64 S ATOM 969 CE MET A 585 28.125 5.859 23.971 1.00 40.33 C ATOM 0 H MET A 585 32.207 6.091 20.507 1.00 39.61 H new ATOM 0 HA MET A 585 30.492 7.368 22.091 1.00 40.69 H new ATOM 0 HB2 MET A 585 31.694 4.826 22.379 1.00 40.81 H new ATOM 0 HB3 MET A 585 30.840 5.430 23.536 1.00 40.81 H new ATOM 0 HG2 MET A 585 29.804 4.733 20.966 1.00 39.98 H new ATOM 0 HG3 MET A 585 29.464 3.978 22.287 1.00 39.98 H new ATOM 0 HE1 MET A 585 27.257 6.189 24.251 1.00 40.33 H new ATOM 0 HE2 MET A 585 28.222 4.934 24.246 1.00 40.33 H new ATOM 0 HE3 MET A 585 28.822 6.393 24.383 1.00 40.33 H new ATOM 970 N CYS A 586 33.586 7.458 22.736 1.00 42.15 N ATOM 971 CA CYS A 586 34.608 8.032 23.621 1.00 42.34 C ATOM 972 C CYS A 586 35.014 9.473 23.299 1.00 42.52 C ATOM 973 O CYS A 586 35.354 10.228 24.201 1.00 42.52 O ATOM 974 CB CYS A 586 35.853 7.147 23.647 1.00 42.42 C ATOM 975 SG CYS A 586 35.529 5.458 24.163 1.00 41.85 S ATOM 0 H CYS A 586 33.896 7.097 22.019 1.00 42.15 H new ATOM 0 HA CYS A 586 34.186 8.064 24.494 1.00 42.34 H new ATOM 0 HB2 CYS A 586 36.250 7.136 22.762 1.00 42.42 H new ATOM 0 HB3 CYS A 586 36.507 7.540 24.246 1.00 42.42 H new ATOM 976 N GLY A 587 34.990 9.847 22.025 1.00 43.00 N ATOM 977 CA GLY A 587 35.465 11.174 21.592 1.00 43.44 C ATOM 978 C GLY A 587 34.756 12.335 22.274 1.00 43.80 C ATOM 979 O GLY A 587 33.545 12.276 22.516 1.00 43.62 O ATOM 0 H GLY A 587 34.702 9.349 21.386 1.00 43.00 H new ATOM 0 HA2 GLY A 587 36.417 11.240 21.767 1.00 43.44 H new ATOM 0 HA3 GLY A 587 35.347 11.253 20.632 1.00 43.44 H new ATOM 980 N HIS A 588 35.506 13.395 22.580 1.00 44.10 N ATOM 981 CA HIS A 588 34.954 14.519 23.346 1.00 44.55 C ATOM 982 C HIS A 588 33.869 15.329 22.610 1.00 44.25 C ATOM 983 O HIS A 588 32.961 15.863 23.243 1.00 44.17 O ATOM 984 CB HIS A 588 36.067 15.402 23.986 1.00 44.84 C ATOM 985 CG HIS A 588 36.600 16.499 23.106 1.00 46.53 C ATOM 986 ND1 HIS A 588 36.797 16.356 21.747 1.00 48.11 N ATOM 987 CD2 HIS A 588 37.033 17.748 23.414 1.00 48.50 C ATOM 988 CE1 HIS A 588 37.293 17.477 21.250 1.00 47.84 C ATOM 989 NE2 HIS A 588 37.451 18.336 22.242 1.00 49.04 N ATOM 0 H HIS A 588 36.331 13.484 22.356 1.00 44.10 H new ATOM 0 HA HIS A 588 34.471 14.111 24.082 1.00 44.55 H new ATOM 0 HB2 HIS A 588 35.717 15.800 24.798 1.00 44.84 H new ATOM 0 HB3 HIS A 588 36.805 14.829 24.246 1.00 44.84 H new ATOM 0 HD2 HIS A 588 37.045 18.135 24.260 1.00 48.50 H new ATOM 0 HE1 HIS A 588 37.496 17.634 20.356 1.00 47.84 H new ATOM 0 HE2 HIS A 588 37.764 19.133 22.167 1.00 49.04 H new ATOM 990 N LYS A 589 33.936 15.385 21.284 1.00 44.12 N ATOM 991 CA LYS A 589 33.004 16.230 20.532 1.00 44.11 C ATOM 992 C LYS A 589 31.528 15.776 20.569 1.00 43.51 C ATOM 993 O LYS A 589 30.617 16.609 20.591 1.00 43.92 O ATOM 994 CB LYS A 589 33.457 16.433 19.081 1.00 44.27 C ATOM 995 CG LYS A 589 33.079 17.802 18.570 1.00 45.50 C ATOM 996 CD LYS A 589 32.300 17.747 17.277 1.00 47.36 C ATOM 997 CE LYS A 589 33.090 18.342 16.127 1.00 47.30 C ATOM 998 NZ LYS A 589 32.169 18.718 15.035 1.00 47.27 N ATOM 0 H LYS A 589 34.502 14.951 20.804 1.00 44.12 H new ATOM 0 HA LYS A 589 33.032 17.078 21.002 1.00 44.11 H new ATOM 0 HB2 LYS A 589 34.418 16.318 19.022 1.00 44.27 H new ATOM 0 HB3 LYS A 589 33.055 15.754 18.517 1.00 44.27 H new ATOM 0 HG2 LYS A 589 32.550 18.260 19.242 1.00 45.50 H new ATOM 0 HG3 LYS A 589 33.884 18.327 18.436 1.00 45.50 H new ATOM 0 HD2 LYS A 589 32.073 16.826 17.073 1.00 47.36 H new ATOM 0 HD3 LYS A 589 31.464 18.229 17.381 1.00 47.36 H new ATOM 0 HE2 LYS A 589 33.582 19.121 16.430 1.00 47.30 H new ATOM 0 HE3 LYS A 589 33.743 17.701 15.805 1.00 47.30 H new ATOM 0 HZ1 LYS A 589 32.634 19.067 14.361 1.00 47.27 H new ATOM 0 HZ2 LYS A 589 31.733 17.995 14.752 1.00 47.27 H new ATOM 0 HZ3 LYS A 589 31.584 19.319 15.333 1.00 47.27 H new ATOM 999 N GLY A 590 31.277 14.475 20.554 1.00 42.15 N ATOM 1000 CA GLY A 590 29.893 14.018 20.566 1.00 41.33 C ATOM 1001 C GLY A 590 29.138 13.949 19.236 1.00 40.70 C ATOM 1002 O GLY A 590 28.213 13.155 19.120 1.00 40.97 O ATOM 0 H GLY A 590 31.873 13.855 20.537 1.00 42.15 H new ATOM 0 HA2 GLY A 590 29.878 13.132 20.961 1.00 41.33 H new ATOM 0 HA3 GLY A 590 29.394 14.601 21.159 1.00 41.33 H new ATOM 1003 N THR A 591 29.530 14.746 18.241 1.00 39.57 N ATOM 1004 CA THR A 591 28.879 14.765 16.928 1.00 39.65 C ATOM 1005 C THR A 591 29.885 14.505 15.816 1.00 39.63 C ATOM 1006 O THR A 591 30.911 15.174 15.735 1.00 40.38 O ATOM 1007 CB THR A 591 28.167 16.118 16.644 1.00 39.50 C ATOM 1008 OG1 THR A 591 27.127 16.305 17.594 1.00 40.63 O ATOM 1009 CG2 THR A 591 27.538 16.157 15.236 1.00 38.75 C ATOM 0 H THR A 591 30.187 15.296 18.309 1.00 39.57 H new ATOM 0 HA THR A 591 28.214 14.060 16.946 1.00 39.65 H new ATOM 0 HB THR A 591 28.836 16.818 16.704 1.00 39.50 H new ATOM 0 HG1 THR A 591 26.740 17.036 17.446 1.00 40.63 H new ATOM 0 HG21 THR A 591 27.105 17.014 15.098 1.00 38.75 H new ATOM 0 HG22 THR A 591 28.231 16.034 14.568 1.00 38.75 H new ATOM 0 HG23 THR A 591 26.882 15.447 15.155 1.00 38.75 H new ATOM 1010 N TYR A 592 29.579 13.536 14.963 1.00 39.44 N ATOM 1011 CA TYR A 592 30.405 13.191 13.806 1.00 39.76 C ATOM 1012 C TYR A 592 29.492 12.802 12.627 1.00 39.94 C ATOM 1013 O TYR A 592 28.937 11.691 12.571 1.00 39.88 O ATOM 1014 CB TYR A 592 31.371 12.047 14.155 1.00 39.72 C ATOM 1015 CG TYR A 592 31.979 12.186 15.527 1.00 40.94 C ATOM 1016 CD1 TYR A 592 33.110 12.987 15.741 1.00 40.81 C ATOM 1017 CD2 TYR A 592 31.416 11.532 16.626 1.00 41.50 C ATOM 1018 CE1 TYR A 592 33.662 13.125 17.014 1.00 39.84 C ATOM 1019 CE2 TYR A 592 31.960 11.672 17.898 1.00 41.75 C ATOM 1020 CZ TYR A 592 33.076 12.464 18.079 1.00 41.13 C ATOM 1021 OH TYR A 592 33.597 12.579 19.346 1.00 42.77 O ATOM 0 H TYR A 592 28.874 13.050 15.039 1.00 39.44 H new ATOM 0 HA TYR A 592 30.939 13.959 13.551 1.00 39.76 H new ATOM 0 HB2 TYR A 592 30.897 11.203 14.101 1.00 39.72 H new ATOM 0 HB3 TYR A 592 32.080 12.017 13.494 1.00 39.72 H new ATOM 0 HD1 TYR A 592 33.498 13.433 15.023 1.00 40.81 H new ATOM 0 HD2 TYR A 592 30.666 10.995 16.505 1.00 41.50 H new ATOM 0 HE1 TYR A 592 34.415 13.655 17.146 1.00 39.84 H new ATOM 0 HE2 TYR A 592 31.574 11.235 18.622 1.00 41.75 H new ATOM 0 HH TYR A 592 33.136 12.125 19.881 1.00 42.77 H new ATOM 1022 N GLY A 593 29.302 13.739 11.712 1.00 40.34 N ATOM 1023 CA GLY A 593 28.420 13.531 10.557 1.00 40.37 C ATOM 1024 C GLY A 593 26.976 13.467 11.007 1.00 39.80 C ATOM 1025 O GLY A 593 26.474 14.405 11.610 1.00 40.57 O ATOM 0 H GLY A 593 29.676 14.513 11.736 1.00 40.34 H new ATOM 0 HA2 GLY A 593 28.535 14.253 9.919 1.00 40.37 H new ATOM 0 HA3 GLY A 593 28.661 12.709 10.102 1.00 40.37 H new ATOM 1026 N LEU A 594 26.310 12.359 10.722 1.00 39.36 N ATOM 1027 CA LEU A 594 24.952 12.164 11.198 1.00 39.03 C ATOM 1028 C LEU A 594 24.961 11.538 12.584 1.00 40.09 C ATOM 1029 O LEU A 594 23.936 11.515 13.261 1.00 40.79 O ATOM 1030 CB LEU A 594 24.136 11.314 10.205 1.00 38.54 C ATOM 1031 CG LEU A 594 23.909 11.911 8.810 1.00 36.98 C ATOM 1032 CD1 LEU A 594 23.187 10.904 7.913 1.00 34.62 C ATOM 1033 CD2 LEU A 594 23.160 13.216 8.920 1.00 32.39 C ATOM 0 H LEU A 594 26.626 11.709 10.255 1.00 39.36 H new ATOM 0 HA LEU A 594 24.522 13.031 11.262 1.00 39.03 H new ATOM 0 HB2 LEU A 594 24.583 10.460 10.099 1.00 38.54 H new ATOM 0 HB3 LEU A 594 23.269 11.134 10.602 1.00 38.54 H new ATOM 0 HG LEU A 594 24.766 12.101 8.397 1.00 36.98 H new ATOM 0 HD11 LEU A 594 23.050 11.293 7.035 1.00 34.62 H new ATOM 0 HD12 LEU A 594 23.724 10.101 7.830 1.00 34.62 H new ATOM 0 HD13 LEU A 594 22.329 10.679 8.304 1.00 34.62 H new ATOM 0 HD21 LEU A 594 23.021 13.585 8.034 1.00 32.39 H new ATOM 0 HD22 LEU A 594 22.301 13.062 9.344 1.00 32.39 H new ATOM 0 HD23 LEU A 594 23.675 13.841 9.453 1.00 32.39 H new ATOM 1034 N LEU A 595 26.120 11.048 13.012 1.00 40.56 N ATOM 1035 CA LEU A 595 26.263 10.429 14.331 1.00 42.51 C ATOM 1036 C LEU A 595 26.286 11.462 15.467 1.00 42.07 C ATOM 1037 O LEU A 595 27.238 12.244 15.590 1.00 42.95 O ATOM 1038 CB LEU A 595 27.543 9.589 14.354 1.00 42.15 C ATOM 1039 CG LEU A 595 27.487 8.148 14.790 1.00 45.89 C ATOM 1040 CD1 LEU A 595 26.281 7.440 14.177 1.00 44.93 C ATOM 1041 CD2 LEU A 595 28.805 7.415 14.465 1.00 44.45 C ATOM 0 H LEU A 595 26.845 11.064 12.549 1.00 40.56 H new ATOM 0 HA LEU A 595 25.488 9.866 14.481 1.00 42.51 H new ATOM 0 HB2 LEU A 595 27.916 9.606 13.459 1.00 42.15 H new ATOM 0 HB3 LEU A 595 28.176 10.042 14.933 1.00 42.15 H new ATOM 0 HG LEU A 595 27.378 8.129 15.754 1.00 45.89 H new ATOM 0 HD11 LEU A 595 26.265 6.516 14.470 1.00 44.93 H new ATOM 0 HD12 LEU A 595 25.466 7.883 14.461 1.00 44.93 H new ATOM 0 HD13 LEU A 595 26.345 7.471 13.210 1.00 44.93 H new ATOM 0 HD21 LEU A 595 28.742 6.492 14.755 1.00 44.45 H new ATOM 0 HD22 LEU A 595 28.963 7.443 13.508 1.00 44.45 H new ATOM 0 HD23 LEU A 595 29.539 7.849 14.927 1.00 44.45 H new ATOM 1042 N ARG A 596 25.235 11.478 16.280 1.00 42.02 N ATOM 1043 CA ARG A 596 25.097 12.434 17.378 1.00 43.04 C ATOM 1044 C ARG A 596 24.824 11.640 18.646 1.00 42.17 C ATOM 1045 O ARG A 596 23.714 11.133 18.839 1.00 42.10 O ATOM 1046 CB ARG A 596 23.982 13.448 17.066 1.00 42.97 C ATOM 1047 CG ARG A 596 23.662 14.488 18.151 1.00 45.89 C ATOM 1048 CD ARG A 596 23.169 15.838 17.553 1.00 47.49 C ATOM 1049 NE ARG A 596 21.793 15.847 17.011 1.00 57.16 N ATOM 1050 CZ ARG A 596 21.428 15.366 15.811 1.00 60.00 C ATOM 1051 NH1 ARG A 596 22.325 14.805 15.010 1.00 61.50 N ATOM 1052 NH2 ARG A 596 20.155 15.432 15.408 1.00 60.57 N ATOM 0 H ARG A 596 24.575 10.930 16.211 1.00 42.02 H new ATOM 0 HA ARG A 596 25.908 12.952 17.498 1.00 43.04 H new ATOM 0 HB2 ARG A 596 24.224 13.923 16.255 1.00 42.97 H new ATOM 0 HB3 ARG A 596 23.170 12.954 16.873 1.00 42.97 H new ATOM 0 HG2 ARG A 596 22.982 14.133 18.745 1.00 45.89 H new ATOM 0 HG3 ARG A 596 24.454 14.645 18.688 1.00 45.89 H new ATOM 0 HD2 ARG A 596 23.230 16.517 18.243 1.00 47.49 H new ATOM 0 HD3 ARG A 596 23.778 16.098 16.844 1.00 47.49 H new ATOM 0 HE ARG A 596 21.176 16.188 17.504 1.00 57.16 H new ATOM 0 HH11 ARG A 596 23.146 14.747 15.258 1.00 61.50 H new ATOM 0 HH12 ARG A 596 22.085 14.499 14.243 1.00 61.50 H new ATOM 0 HH21 ARG A 596 19.560 15.785 15.919 1.00 60.57 H new ATOM 0 HH22 ARG A 596 19.931 15.121 14.638 1.00 60.57 H new ATOM 1053 N ARG A 597 25.871 11.487 19.465 1.00 41.22 N ATOM 1054 CA ARG A 597 25.810 10.791 20.741 1.00 40.42 C ATOM 1055 C ARG A 597 24.825 11.493 21.678 1.00 40.08 C ATOM 1056 O ARG A 597 24.836 12.717 21.777 1.00 39.51 O ATOM 1057 CB ARG A 597 27.196 10.733 21.379 1.00 40.47 C ATOM 1058 CG ARG A 597 27.235 9.909 22.654 1.00 40.00 C ATOM 1059 CD ARG A 597 28.632 9.657 23.170 1.00 37.65 C ATOM 1060 NE ARG A 597 29.276 10.858 23.699 1.00 39.02 N ATOM 1061 CZ ARG A 597 30.430 11.353 23.247 1.00 38.71 C ATOM 1062 NH1 ARG A 597 31.082 10.761 22.250 1.00 37.75 N ATOM 1063 NH2 ARG A 597 30.944 12.437 23.801 1.00 38.72 N ATOM 0 H ARG A 597 26.653 11.795 19.283 1.00 41.22 H new ATOM 0 HA ARG A 597 25.502 9.884 20.587 1.00 40.42 H new ATOM 0 HB2 ARG A 597 27.824 10.360 20.741 1.00 40.47 H new ATOM 0 HB3 ARG A 597 27.493 11.635 21.575 1.00 40.47 H new ATOM 0 HG2 ARG A 597 26.722 10.364 23.340 1.00 40.00 H new ATOM 0 HG3 ARG A 597 26.799 9.057 22.493 1.00 40.00 H new ATOM 0 HD2 ARG A 597 28.596 8.983 23.866 1.00 37.65 H new ATOM 0 HD3 ARG A 597 29.175 9.295 22.452 1.00 37.65 H new ATOM 0 HE ARG A 597 28.886 11.273 24.344 1.00 39.02 H new ATOM 0 HH11 ARG A 597 30.761 10.050 21.888 1.00 37.75 H new ATOM 0 HH12 ARG A 597 31.825 11.089 21.967 1.00 37.75 H new ATOM 0 HH21 ARG A 597 30.535 12.822 24.452 1.00 38.72 H new ATOM 0 HH22 ARG A 597 31.688 12.757 23.511 1.00 38.72 H new ATOM 1064 N ARG A 598 23.954 10.714 22.319 1.00 39.35 N ATOM 1065 CA ARG A 598 22.989 11.241 23.286 1.00 39.42 C ATOM 1066 C ARG A 598 23.707 11.742 24.547 1.00 39.82 C ATOM 1067 O ARG A 598 24.632 11.082 25.050 1.00 39.00 O ATOM 1068 CB ARG A 598 22.011 10.146 23.720 1.00 39.47 C ATOM 1069 CG ARG A 598 21.343 9.351 22.612 1.00 38.35 C ATOM 1070 CD ARG A 598 19.949 9.800 22.424 1.00 36.79 C ATOM 1071 NE ARG A 598 19.209 8.948 21.513 1.00 36.08 N ATOM 1072 CZ ARG A 598 18.096 9.320 20.903 1.00 34.68 C ATOM 1073 NH1 ARG A 598 17.595 10.519 21.135 1.00 33.95 N ATOM 1074 NH2 ARG A 598 17.484 8.492 20.059 1.00 35.15 N ATOM 0 H ARG A 598 23.906 9.863 22.205 1.00 39.35 H new ATOM 0 HA ARG A 598 22.515 11.969 22.854 1.00 39.42 H new ATOM 0 HB2 ARG A 598 22.487 9.525 24.294 1.00 39.47 H new ATOM 0 HB3 ARG A 598 21.317 10.556 24.259 1.00 39.47 H new ATOM 0 HG2 ARG A 598 21.838 9.459 21.785 1.00 38.35 H new ATOM 0 HG3 ARG A 598 21.358 8.406 22.830 1.00 38.35 H new ATOM 0 HD2 ARG A 598 19.499 9.817 23.283 1.00 36.79 H new ATOM 0 HD3 ARG A 598 19.948 10.709 22.085 1.00 36.79 H new ATOM 0 HE ARG A 598 19.511 8.157 21.361 1.00 36.08 H new ATOM 0 HH11 ARG A 598 17.992 11.053 21.680 1.00 33.95 H new ATOM 0 HH12 ARG A 598 16.872 10.766 20.741 1.00 33.95 H new ATOM 0 HH21 ARG A 598 17.812 7.711 19.908 1.00 35.15 H new ATOM 0 HH22 ARG A 598 16.760 8.738 19.664 1.00 35.15 H new ATOM 1075 N GLU A 599 23.261 12.892 25.062 1.00 40.31 N ATOM 1076 CA GLU A 599 23.770 13.429 26.309 1.00 41.14 C ATOM 1077 C GLU A 599 23.528 12.397 27.425 1.00 40.68 C ATOM 1078 O GLU A 599 24.356 12.234 28.309 1.00 40.95 O ATOM 1079 CB GLU A 599 23.132 14.810 26.634 1.00 41.46 C ATOM 1080 CG GLU A 599 23.727 16.023 25.840 1.00 42.95 C ATOM 1081 CD GLU A 599 22.964 17.388 26.028 1.00 43.67 C ATOM 1082 OE1 GLU A 599 22.896 17.937 27.163 1.00 45.52 O ATOM 1083 OE2 GLU A 599 22.452 17.936 25.017 1.00 46.04 O ATOM 0 H GLU A 599 22.655 13.377 24.692 1.00 40.31 H new ATOM 0 HA GLU A 599 24.724 13.588 26.232 1.00 41.14 H new ATOM 0 HB2 GLU A 599 22.180 14.761 26.455 1.00 41.46 H new ATOM 0 HB3 GLU A 599 23.234 14.982 27.583 1.00 41.46 H new ATOM 0 HG2 GLU A 599 24.651 16.146 26.110 1.00 42.95 H new ATOM 0 HG3 GLU A 599 23.734 15.801 24.896 1.00 42.95 H new ATOM 1084 N ASP A 600 22.416 11.671 27.340 1.00 40.18 N ATOM 1085 CA ASP A 600 21.973 10.770 28.408 1.00 39.69 C ATOM 1086 C ASP A 600 22.018 9.277 28.015 1.00 39.30 C ATOM 1087 O ASP A 600 21.179 8.489 28.462 1.00 39.47 O ATOM 1088 CB ASP A 600 20.555 11.155 28.865 1.00 39.54 C ATOM 1089 CG ASP A 600 19.528 11.113 27.714 1.00 39.77 C ATOM 1090 OD1 ASP A 600 19.937 10.943 26.544 1.00 36.53 O ATOM 1091 OD2 ASP A 600 18.310 11.254 27.987 1.00 39.46 O ATOM 0 H ASP A 600 21.893 11.686 26.658 1.00 40.18 H new ATOM 0 HA ASP A 600 22.602 10.878 29.139 1.00 39.69 H new ATOM 0 HB2 ASP A 600 20.271 10.552 29.569 1.00 39.54 H new ATOM 0 HB3 ASP A 600 20.573 12.047 29.246 1.00 39.54 H new ATOM 1092 N TRP A 601 23.007 8.878 27.219 1.00 38.36 N ATOM 1093 CA TRP A 601 23.090 7.488 26.797 1.00 37.97 C ATOM 1094 C TRP A 601 23.179 6.481 27.972 1.00 37.72 C ATOM 1095 O TRP A 601 22.638 5.383 27.850 1.00 36.90 O ATOM 1096 CB TRP A 601 24.190 7.250 25.741 1.00 37.93 C ATOM 1097 CG TRP A 601 25.593 7.450 26.237 1.00 39.69 C ATOM 1098 CD1 TRP A 601 26.339 8.599 26.167 1.00 38.65 C ATOM 1099 CD2 TRP A 601 26.420 6.472 26.914 1.00 39.49 C ATOM 1100 NE1 TRP A 601 27.569 8.395 26.752 1.00 39.68 N ATOM 1101 CE2 TRP A 601 27.648 7.104 27.215 1.00 40.02 C ATOM 1102 CE3 TRP A 601 26.232 5.132 27.293 1.00 38.51 C ATOM 1103 CZ2 TRP A 601 28.695 6.440 27.884 1.00 40.87 C ATOM 1104 CZ3 TRP A 601 27.274 4.461 27.948 1.00 39.89 C ATOM 1105 CH2 TRP A 601 28.488 5.121 28.250 1.00 39.80 C ATOM 0 H TRP A 601 23.630 9.389 26.917 1.00 38.36 H new ATOM 0 HA TRP A 601 22.241 7.308 26.364 1.00 37.97 H new ATOM 0 HB2 TRP A 601 24.106 6.345 25.403 1.00 37.93 H new ATOM 0 HB3 TRP A 601 24.037 7.848 24.992 1.00 37.93 H new ATOM 0 HD1 TRP A 601 26.056 9.397 25.782 1.00 38.65 H new ATOM 0 HE1 TRP A 601 28.192 8.985 26.817 1.00 39.68 H new ATOM 0 HE3 TRP A 601 25.430 4.698 27.112 1.00 38.51 H new ATOM 0 HZ2 TRP A 601 29.496 6.872 28.073 1.00 40.87 H new ATOM 0 HZ3 TRP A 601 27.166 3.569 28.187 1.00 39.89 H new ATOM 0 HH2 TRP A 601 29.158 4.661 28.702 1.00 39.80 H new ATOM 1106 N PRO A 602 23.837 6.848 29.107 1.00 37.35 N ATOM 1107 CA PRO A 602 23.930 5.839 30.164 1.00 37.30 C ATOM 1108 C PRO A 602 22.577 5.450 30.761 1.00 37.40 C ATOM 1109 O PRO A 602 22.337 4.259 30.946 1.00 37.34 O ATOM 1110 CB PRO A 602 24.835 6.499 31.225 1.00 37.09 C ATOM 1111 CG PRO A 602 25.520 7.598 30.509 1.00 37.34 C ATOM 1112 CD PRO A 602 24.525 8.089 29.504 1.00 37.22 C ATOM 0 HA PRO A 602 24.281 5.003 29.819 1.00 37.30 H new ATOM 0 HB2 PRO A 602 24.314 6.836 31.971 1.00 37.09 H new ATOM 0 HB3 PRO A 602 25.473 5.864 31.588 1.00 37.09 H new ATOM 0 HG2 PRO A 602 25.780 8.306 31.119 1.00 37.34 H new ATOM 0 HG3 PRO A 602 26.330 7.284 30.077 1.00 37.34 H new ATOM 0 HD2 PRO A 602 23.912 8.735 29.888 1.00 37.22 H new ATOM 0 HD3 PRO A 602 24.956 8.521 28.750 1.00 37.22 H new ATOM 1113 N SER A 603 21.706 6.420 31.052 1.00 36.89 N ATOM 1114 CA SER A 603 20.353 6.081 31.531 1.00 37.65 C ATOM 1115 C SER A 603 19.479 5.427 30.439 1.00 37.72 C ATOM 1116 O SER A 603 18.721 4.495 30.723 1.00 37.92 O ATOM 1117 CB SER A 603 19.635 7.281 32.189 1.00 37.29 C ATOM 1118 OG SER A 603 19.864 8.459 31.439 1.00 38.41 O ATOM 0 H SER A 603 21.869 7.262 30.983 1.00 36.89 H new ATOM 0 HA SER A 603 20.482 5.415 32.224 1.00 37.65 H new ATOM 0 HB2 SER A 603 18.683 7.105 32.245 1.00 37.29 H new ATOM 0 HB3 SER A 603 19.956 7.400 33.097 1.00 37.29 H new ATOM 0 HG SER A 603 19.469 9.105 31.803 1.00 38.41 H new ATOM 1119 N ARG A 604 19.592 5.895 29.203 1.00 37.43 N ATOM 1120 CA ARG A 604 18.906 5.236 28.093 1.00 37.93 C ATOM 1121 C ARG A 604 19.346 3.783 27.959 1.00 38.67 C ATOM 1122 O ARG A 604 18.510 2.895 27.836 1.00 38.53 O ATOM 1123 CB ARG A 604 19.155 5.972 26.781 1.00 37.89 C ATOM 1124 CG ARG A 604 18.265 7.208 26.612 1.00 38.26 C ATOM 1125 CD ARG A 604 18.731 8.016 25.419 1.00 38.11 C ATOM 1126 NE ARG A 604 17.857 9.159 25.214 1.00 37.81 N ATOM 1127 CZ ARG A 604 16.705 9.104 24.556 1.00 37.27 C ATOM 1128 NH1 ARG A 604 16.283 7.956 24.028 1.00 38.02 N ATOM 1129 NH2 ARG A 604 15.964 10.189 24.450 1.00 34.57 N ATOM 0 H ARG A 604 20.055 6.586 28.984 1.00 37.43 H new ATOM 0 HA ARG A 604 17.956 5.257 28.288 1.00 37.93 H new ATOM 0 HB2 ARG A 604 20.086 6.241 26.738 1.00 37.89 H new ATOM 0 HB3 ARG A 604 19.001 5.365 26.041 1.00 37.89 H new ATOM 0 HG2 ARG A 604 17.342 6.938 26.489 1.00 38.26 H new ATOM 0 HG3 ARG A 604 18.297 7.752 27.414 1.00 38.26 H new ATOM 0 HD2 ARG A 604 19.642 8.318 25.561 1.00 38.11 H new ATOM 0 HD3 ARG A 604 18.737 7.459 24.625 1.00 38.11 H new ATOM 0 HE ARG A 604 18.101 9.917 25.539 1.00 37.81 H new ATOM 0 HH11 ARG A 604 16.758 7.244 24.112 1.00 38.02 H new ATOM 0 HH12 ARG A 604 15.536 7.927 23.603 1.00 38.02 H new ATOM 0 HH21 ARG A 604 16.228 10.926 24.806 1.00 34.57 H new ATOM 0 HH22 ARG A 604 15.217 10.160 24.025 1.00 34.57 H new ATOM 1130 N LEU A 605 20.657 3.551 28.013 1.00 39.12 N ATOM 1131 CA LEU A 605 21.224 2.220 27.864 1.00 40.45 C ATOM 1132 C LEU A 605 20.739 1.321 29.017 1.00 41.09 C ATOM 1133 O LEU A 605 20.297 0.195 28.796 1.00 41.14 O ATOM 1134 CB LEU A 605 22.757 2.319 27.778 1.00 40.30 C ATOM 1135 CG LEU A 605 23.565 1.234 27.072 1.00 42.29 C ATOM 1136 CD1 LEU A 605 23.241 1.158 25.586 1.00 41.42 C ATOM 1137 CD2 LEU A 605 25.063 1.415 27.322 1.00 40.64 C ATOM 0 H LEU A 605 21.243 4.168 28.138 1.00 39.12 H new ATOM 0 HA LEU A 605 20.921 1.809 27.039 1.00 40.45 H new ATOM 0 HB2 LEU A 605 22.966 3.160 27.342 1.00 40.30 H new ATOM 0 HB3 LEU A 605 23.091 2.379 28.687 1.00 40.30 H new ATOM 0 HG LEU A 605 23.306 0.381 27.455 1.00 42.29 H new ATOM 0 HD11 LEU A 605 23.773 0.459 25.174 1.00 41.42 H new ATOM 0 HD12 LEU A 605 22.299 0.958 25.470 1.00 41.42 H new ATOM 0 HD13 LEU A 605 23.445 2.008 25.166 1.00 41.42 H new ATOM 0 HD21 LEU A 605 25.555 0.715 26.864 1.00 40.64 H new ATOM 0 HD22 LEU A 605 25.345 2.280 26.986 1.00 40.64 H new ATOM 0 HD23 LEU A 605 25.241 1.365 28.274 1.00 40.64 H new ATOM 1138 N GLN A 606 20.738 1.848 30.237 1.00 41.68 N ATOM 1139 CA GLN A 606 20.234 1.106 31.367 1.00 42.75 C ATOM 1140 C GLN A 606 18.756 0.714 31.211 1.00 42.95 C ATOM 1141 O GLN A 606 18.390 -0.434 31.496 1.00 43.40 O ATOM 1142 CB GLN A 606 20.430 1.898 32.671 1.00 43.21 C ATOM 1143 CG GLN A 606 21.816 1.764 33.290 1.00 45.65 C ATOM 1144 CD GLN A 606 21.764 1.804 34.799 1.00 49.92 C ATOM 1145 OE1 GLN A 606 21.916 0.772 35.472 1.00 51.30 O ATOM 1146 NE2 GLN A 606 21.502 2.991 35.351 1.00 51.45 N ATOM 0 H GLN A 606 21.027 2.636 30.424 1.00 41.68 H new ATOM 0 HA GLN A 606 20.748 0.285 31.406 1.00 42.75 H new ATOM 0 HB2 GLN A 606 20.256 2.836 32.496 1.00 43.21 H new ATOM 0 HB3 GLN A 606 19.770 1.603 33.317 1.00 43.21 H new ATOM 0 HG2 GLN A 606 22.219 0.930 33.002 1.00 45.65 H new ATOM 0 HG3 GLN A 606 22.385 2.480 32.967 1.00 45.65 H new ATOM 0 HE21 GLN A 606 21.403 3.685 34.852 1.00 51.45 H new ATOM 0 HE22 GLN A 606 21.432 3.062 36.205 1.00 51.45 H new ATOM 1147 N MET A 607 17.915 1.665 30.791 1.00 42.40 N ATOM 1148 CA MET A 607 16.492 1.406 30.546 1.00 42.80 C ATOM 1149 C MET A 607 16.325 0.333 29.464 1.00 41.37 C ATOM 1150 O MET A 607 15.542 -0.602 29.611 1.00 41.25 O ATOM 1151 CB MET A 607 15.743 2.698 30.156 1.00 42.25 C ATOM 1152 CG MET A 607 15.526 3.718 31.315 1.00 44.30 C ATOM 1153 SD MET A 607 14.394 5.124 30.924 1.00 47.63 S ATOM 1154 CE MET A 607 15.144 5.874 29.425 1.00 44.83 C ATOM 0 H MET A 607 18.154 2.477 30.640 1.00 42.40 H new ATOM 0 HA MET A 607 16.100 1.079 31.371 1.00 42.80 H new ATOM 0 HB2 MET A 607 16.236 3.138 29.446 1.00 42.25 H new ATOM 0 HB3 MET A 607 14.877 2.455 29.792 1.00 42.25 H new ATOM 0 HG2 MET A 607 15.174 3.242 32.084 1.00 44.30 H new ATOM 0 HG3 MET A 607 16.388 4.078 31.575 1.00 44.30 H new ATOM 0 HE1 MET A 607 14.610 6.632 29.141 1.00 44.83 H new ATOM 0 HE2 MET A 607 16.045 6.171 29.628 1.00 44.83 H new ATOM 0 HE3 MET A 607 15.174 5.215 28.714 1.00 44.83 H new ATOM 1155 N PHE A 608 17.113 0.461 28.403 1.00 40.38 N ATOM 1156 CA PHE A 608 17.099 -0.435 27.257 1.00 39.85 C ATOM 1157 C PHE A 608 17.350 -1.894 27.637 1.00 39.62 C ATOM 1158 O PHE A 608 16.740 -2.791 27.066 1.00 38.91 O ATOM 1159 CB PHE A 608 18.177 0.042 26.295 1.00 40.43 C ATOM 1160 CG PHE A 608 18.095 -0.533 24.933 1.00 40.43 C ATOM 1161 CD1 PHE A 608 17.323 0.090 23.947 1.00 41.28 C ATOM 1162 CD2 PHE A 608 18.834 -1.660 24.602 1.00 42.04 C ATOM 1163 CE1 PHE A 608 17.271 -0.419 22.652 1.00 40.94 C ATOM 1164 CE2 PHE A 608 18.794 -2.186 23.291 1.00 43.87 C ATOM 1165 CZ PHE A 608 18.003 -1.559 22.313 1.00 40.67 C ATOM 0 H PHE A 608 17.690 1.094 28.329 1.00 40.38 H new ATOM 0 HA PHE A 608 16.217 -0.410 26.853 1.00 39.85 H new ATOM 0 HB2 PHE A 608 18.128 1.008 26.228 1.00 40.43 H new ATOM 0 HB3 PHE A 608 19.045 -0.172 26.671 1.00 40.43 H new ATOM 0 HD1 PHE A 608 16.838 0.855 24.159 1.00 41.28 H new ATOM 0 HD2 PHE A 608 19.360 -2.073 25.248 1.00 42.04 H new ATOM 0 HE1 PHE A 608 16.746 0.002 22.010 1.00 40.94 H new ATOM 0 HE2 PHE A 608 19.289 -2.944 23.076 1.00 43.87 H new ATOM 0 HZ PHE A 608 17.967 -1.900 21.448 1.00 40.67 H new ATOM 1166 N PHE A 609 18.236 -2.125 28.607 1.00 39.99 N ATOM 1167 CA PHE A 609 18.610 -3.486 29.003 1.00 40.20 C ATOM 1168 C PHE A 609 17.788 -4.048 30.131 1.00 41.29 C ATOM 1169 O PHE A 609 17.862 -5.240 30.421 1.00 42.47 O ATOM 1170 CB PHE A 609 20.106 -3.573 29.315 1.00 39.43 C ATOM 1171 CG PHE A 609 20.942 -3.705 28.089 1.00 38.96 C ATOM 1172 CD1 PHE A 609 21.332 -4.957 27.636 1.00 37.58 C ATOM 1173 CD2 PHE A 609 21.294 -2.588 27.358 1.00 36.24 C ATOM 1174 CE1 PHE A 609 22.076 -5.092 26.475 1.00 36.49 C ATOM 1175 CE2 PHE A 609 22.037 -2.705 26.195 1.00 39.36 C ATOM 1176 CZ PHE A 609 22.446 -3.955 25.755 1.00 38.84 C ATOM 0 H PHE A 609 18.634 -1.505 29.050 1.00 39.99 H new ATOM 0 HA PHE A 609 18.412 -4.045 28.236 1.00 40.20 H new ATOM 0 HB2 PHE A 609 20.377 -2.780 29.803 1.00 39.43 H new ATOM 0 HB3 PHE A 609 20.268 -4.333 29.896 1.00 39.43 H new ATOM 0 HD1 PHE A 609 21.091 -5.715 28.118 1.00 37.58 H new ATOM 0 HD2 PHE A 609 21.029 -1.746 27.650 1.00 36.24 H new ATOM 0 HE1 PHE A 609 22.328 -5.936 26.177 1.00 36.49 H new ATOM 0 HE2 PHE A 609 22.262 -1.945 25.709 1.00 39.36 H new ATOM 0 HZ PHE A 609 22.963 -4.035 24.986 1.00 38.84 H new ATOM 1177 N ALA A 610 17.004 -3.193 30.771 1.00 42.10 N ATOM 1178 CA ALA A 610 16.166 -3.602 31.898 1.00 43.16 C ATOM 1179 C ALA A 610 14.797 -4.159 31.471 1.00 43.81 C ATOM 1180 O ALA A 610 14.156 -4.909 32.229 1.00 44.26 O ATOM 1181 CB ALA A 610 15.974 -2.423 32.856 1.00 43.06 C ATOM 0 H ALA A 610 16.940 -2.360 30.568 1.00 42.10 H new ATOM 0 HA ALA A 610 16.632 -4.327 32.343 1.00 43.16 H new ATOM 0 HB1 ALA A 610 15.418 -2.699 33.601 1.00 43.06 H new ATOM 0 HB2 ALA A 610 16.838 -2.131 33.188 1.00 43.06 H new ATOM 0 HB3 ALA A 610 15.545 -1.691 32.386 1.00 43.06 H new TER 1182 ALA A 610 HETATM 1183 ZN ZN A 1 16.369 -2.087 12.331 1.00 53.55 ZN HETATM 1184 ZN ZN A 2 27.787 -1.190 11.297 1.00 54.05 ZN HETATM 1185 ZN ZN A 3 35.362 3.943 22.562 1.00 64.59 ZN HETATM 1186 C1 EDO A 615 25.976 -3.947 20.708 1.00 68.83 C HETATM 1187 O1 EDO A 615 26.949 -3.077 21.275 1.00 69.77 O HETATM 1188 C2 EDO A 615 26.283 -4.030 19.227 1.00 69.05 C HETATM 1189 O2 EDO A 615 27.355 -4.952 19.020 1.00 68.70 O HETATM 0 HO2 EDO A 615 27.528 -5.002 18.199 1.00 68.70 H new HETATM 0 HO1 EDO A 615 26.616 -2.313 21.379 1.00 69.77 H new HETATM 0 H22 EDO A 615 25.496 -4.317 18.738 1.00 69.05 H new HETATM 0 H21 EDO A 615 26.525 -3.155 18.886 1.00 69.05 H new HETATM 0 H12 EDO A 615 26.017 -4.825 21.119 1.00 68.83 H new HETATM 0 H11 EDO A 615 25.080 -3.606 20.856 1.00 68.83 H new HETATM 1190 C1 EDO A 616 15.071 8.761 17.871 1.00 66.30 C HETATM 1191 O1 EDO A 616 15.701 9.883 18.495 1.00 65.12 O HETATM 1192 C2 EDO A 616 13.546 8.763 17.771 1.00 66.64 C HETATM 1193 O2 EDO A 616 13.139 7.522 17.158 1.00 63.97 O HETATM 0 HO2 EDO A 616 13.089 7.623 16.326 1.00 63.97 H new HETATM 0 HO1 EDO A 616 15.332 10.037 19.234 1.00 65.12 H new HETATM 0 H22 EDO A 616 13.148 8.853 18.651 1.00 66.64 H new HETATM 0 H21 EDO A 616 13.242 9.518 17.243 1.00 66.64 H new HETATM 0 H12 EDO A 616 15.428 8.680 16.973 1.00 66.30 H new HETATM 0 H11 EDO A 616 15.337 7.963 18.355 1.00 66.30 H new HETATM 1194 C1 EDO A 617 27.557 -5.590 29.384 1.00 79.44 C HETATM 1195 O1 EDO A 617 28.960 -5.821 29.179 1.00 79.22 O HETATM 1196 C2 EDO A 617 26.890 -5.701 28.026 1.00 80.57 C HETATM 1197 O2 EDO A 617 27.911 -5.816 27.027 1.00 81.78 O HETATM 0 HO2 EDO A 617 27.744 -6.472 26.530 1.00 81.78 H new HETATM 0 HO1 EDO A 617 29.131 -5.796 28.357 1.00 79.22 H new HETATM 0 H22 EDO A 617 26.304 -6.474 28.000 1.00 80.57 H new HETATM 0 H21 EDO A 617 26.339 -4.921 27.856 1.00 80.57 H new HETATM 0 H12 EDO A 617 27.188 -6.240 30.002 1.00 79.44 H new HETATM 0 H11 EDO A 617 27.406 -4.713 29.771 1.00 79.44 H new HETATM 1198 C1 EDO A 4 36.269 10.838 15.850 1.00 83.85 C HETATM 1199 O1 EDO A 4 36.975 9.808 15.151 1.00 85.71 O HETATM 1200 C2 EDO A 4 35.931 10.361 17.253 1.00 83.64 C HETATM 1201 O2 EDO A 4 37.139 10.291 18.012 1.00 84.23 O HETATM 0 HO2 EDO A 4 37.206 9.531 18.363 1.00 84.23 H new HETATM 0 HO1 EDO A 4 37.161 10.072 14.375 1.00 85.71 H new HETATM 0 H22 EDO A 4 35.304 10.969 17.674 1.00 83.64 H new HETATM 0 H21 EDO A 4 35.503 9.491 17.219 1.00 83.64 H new HETATM 0 H12 EDO A 4 36.810 11.642 15.893 1.00 83.85 H new HETATM 0 H11 EDO A 4 35.457 11.068 15.372 1.00 83.85 H new HETATM 1202 C1 EDO A 5 26.445 -14.016 23.931 1.00 70.10 C HETATM 1203 O1 EDO A 5 26.668 -15.188 23.143 1.00 68.47 O HETATM 1204 C2 EDO A 5 25.126 -13.354 23.501 1.00 70.21 C HETATM 1205 O2 EDO A 5 24.648 -13.938 22.275 1.00 70.86 O HETATM 0 HO2 EDO A 5 23.927 -13.569 22.051 1.00 70.86 H new HETATM 0 HO1 EDO A 5 26.075 -15.245 22.551 1.00 68.47 H new HETATM 0 H22 EDO A 5 24.461 -13.462 24.199 1.00 70.21 H new HETATM 0 H21 EDO A 5 25.260 -12.401 23.382 1.00 70.21 H new HETATM 0 H12 EDO A 5 26.410 -14.249 24.872 1.00 70.10 H new HETATM 0 H11 EDO A 5 27.181 -13.395 23.820 1.00 70.10 H new HETATM 1206 C1 EDO A 6 31.193 -3.824 6.370 1.00 73.14 C HETATM 1207 O1 EDO A 6 32.126 -3.285 7.306 1.00 66.25 O HETATM 1208 C2 EDO A 6 29.783 -3.943 6.949 1.00 76.69 C HETATM 1209 O2 EDO A 6 28.989 -4.811 6.117 1.00 80.11 O HETATM 0 HO2 EDO A 6 28.215 -4.876 6.438 1.00 80.11 H new HETATM 0 HO1 EDO A 6 32.247 -2.470 7.144 1.00 66.25 H new HETATM 0 H22 EDO A 6 29.823 -4.294 7.852 1.00 76.69 H new HETATM 0 H21 EDO A 6 29.371 -3.067 7.003 1.00 76.69 H new HETATM 0 H12 EDO A 6 31.169 -3.260 5.581 1.00 73.14 H new HETATM 0 H11 EDO A 6 31.496 -4.700 6.083 1.00 73.14 H new HETATM 1210 C1 EDO A 7 26.507 -2.593 25.690 1.00 85.91 C HETATM 1211 O1 EDO A 7 26.385 -1.193 25.930 1.00 85.94 O HETATM 1212 C2 EDO A 7 26.611 -2.763 24.192 1.00 85.14 C HETATM 1213 O2 EDO A 7 26.063 -1.587 23.611 1.00 84.82 O HETATM 0 HO2 EDO A 7 25.622 -1.168 24.190 1.00 84.82 H new HETATM 0 HO1 EDO A 7 26.976 -0.949 26.475 1.00 85.94 H new HETATM 0 H22 EDO A 7 27.535 -2.883 23.922 1.00 85.14 H new HETATM 0 H21 EDO A 7 26.126 -3.550 23.900 1.00 85.14 H new HETATM 0 H12 EDO A 7 27.291 -2.952 26.134 1.00 85.91 H new HETATM 0 H11 EDO A 7 25.739 -3.072 26.039 1.00 85.91 H new HETATM 1214 O HOH A 8 9.357 5.694 10.425 1.00 58.19 O HETATM 1215 O HOH A 9 29.072 -7.271 19.609 1.00 54.77 O HETATM 1216 O HOH A 10 16.731 5.413 24.238 1.00 56.07 O HETATM 1217 O HOH A 11 10.953 11.589 8.598 1.00 53.12 O HETATM 1218 O HOH A 12 17.813 14.233 10.742 1.00 55.09 O HETATM 1219 O HOH A 15 26.602 11.676 6.157 1.00 74.38 O HETATM 1220 O HOH A 16 10.828 -0.335 6.152 1.00 69.24 O HETATM 1221 O HOH A 17 9.860 -1.960 15.242 1.00 62.74 O HETATM 1222 O HOH A 18 20.209 -2.195 32.823 1.00 67.09 O HETATM 1223 O HOH A 19 15.053 17.522 8.292 1.00 78.85 O HETATM 1224 O HOH A 20 20.237 3.345 8.491 1.00 67.29 O HETATM 1225 O HOH A 21 23.111 -15.144 21.023 1.00 72.63 O HETATM 1226 O HOH A 22 16.477 11.384 -6.252 1.00 65.01 O HETATM 1227 O HOH A 23 12.419 4.726 23.288 1.00 62.88 O HETATM 1228 O HOH A 24 12.485 -2.155 5.447 1.00 78.23 O HETATM 1229 O HOH A 29 33.836 -10.519 15.283 1.00 66.06 O HETATM 1230 O HOH A 31 31.425 2.945 25.208 1.00 68.07 O HETATM 1231 O HOH A 36 18.914 4.407 -4.444 1.00 73.13 O HETATM 1232 O HOH A 38 9.926 9.505 7.679 1.00 71.25 O HETATM 1233 O HOH A 39 20.481 14.275 11.112 1.00 61.35 O HETATM 1234 O HOH A 40 21.390 16.719 7.809 1.00 71.48 O HETATM 1235 O HOH A 43 26.487 -3.425 8.100 1.00 73.88 O HETATM 1236 O HOH A 44 8.258 7.037 12.341 1.00 74.58 O HETATM 1237 O HOH A 45 17.842 -11.800 17.312 1.00 87.55 O HETATM 1238 O HOH A 46 12.763 6.501 0.197 1.00 76.07 O HETATM 1239 O HOH A 47 20.083 3.445 -7.568 1.00 76.41 O HETATM 1240 O HOH A 48 33.439 -4.382 27.909 1.00 73.72 O HETATM 1241 O HOH A 50 40.703 10.117 18.337 1.00 87.33 O HETATM 1242 O HOH A 51 24.958 -11.966 16.662 1.00 88.87 O HETATM 1243 O HOH A 52 22.223 13.412 13.031 1.00 66.64 O HETATM 1244 O HOH A 53 42.368 1.094 17.740 1.00 71.79 O HETATM 1245 O HOH A 618 17.437 15.333 8.293 1.00 52.49 O HETATM 1246 O HOH A 619 24.270 14.318 -0.243 1.00 66.53 O HETATM 1247 O HOH A 620 22.899 10.063 15.396 1.00 48.61 O HETATM 1248 O HOH A 621 30.796 -2.696 19.265 1.00 46.49 O HETATM 1249 O HOH A 622 22.726 -0.382 17.255 1.00 62.13 O HETATM 1250 O HOH A 623 22.627 9.645 31.834 1.00 52.51 O HETATM 1251 O HOH A 624 21.129 3.194 -2.859 1.00 47.10 O CONECT 277 1183 CONECT 300 1183 CONECT 422 1183 CONECT 450 1183 CONECT 618 1184 CONECT 639 1184 CONECT 702 1185 CONECT 736 1185 CONECT 776 1184 CONECT 798 1184 CONECT 949 1185 CONECT 975 1185 CONECT 1183 277 300 422 450 CONECT 1184 618 639 776 798 CONECT 1185 702 736 949 975 CONECT 1186 1187 1188 CONECT 1187 1186 CONECT 1188 1186 1189 CONECT 1189 1188 CONECT 1190 1191 1192 CONECT 1191 1190 CONECT 1192 1190 1193 CONECT 1193 1192 CONECT 1194 1195 1196 CONECT 1195 1194 CONECT 1196 1194 1197 CONECT 1197 1196 CONECT 1198 1199 1200 CONECT 1199 1198 CONECT 1200 1198 1201 CONECT 1201 1200 CONECT 1202 1203 1204 CONECT 1203 1202 CONECT 1204 1202 1205 CONECT 1205 1204 CONECT 1206 1207 1208 CONECT 1207 1206 CONECT 1208 1206 1209 CONECT 1209 1208 CONECT 1210 1211 1212 CONECT 1211 1210 CONECT 1212 1210 1213 CONECT 1213 1212 END