USER MOD reduce.3.24.130724 H: found=0, std=0, add=1878, rem=0, adj=61 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 02-APR-09 3A1G TITLE HIGH-RESOLUTION CRYSTAL STRUCTURE OF RNA POLYMERASE PB1-PB2 TITLE 2 SUBUNITS FROM INFLUENZA A VIRUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: RNA-DIRECTED RNA POLYMERASE CATALYTIC SUBUNIT; COMPND 3 CHAIN: A, C; COMPND 4 FRAGMENT: PB1 C-TERMINAL FRAGMENT, UNP RESIDUES 678-757; COMPND 5 SYNONYM: POLYMERASE BASIC PROTEIN 1, PB1, RNA-DIRECTED RNA COMPND 6 POLYMERASE SUBUNIT P1; COMPND 7 EC: 2.7.7.48; COMPND 8 ENGINEERED: YES; COMPND 9 MOL_ID: 2; COMPND 0 MOLECULE: POLYMERASE BASIC PROTEIN 2; COMPND 1 CHAIN: B, D; COMPND 2 FRAGMENT: PB2 N-TERMINAL RAGMENT, UNP RESIDUES 1-37; COMPND 3 SYNONYM: RNA POLYMERASE PB2 SUBUNIT, RNA-DIRECTED RNA COMPND 4 POLYMERASE SUBUNIT P3; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/PUERTO SOURCE 3 RICO/8/34(H1N1)); SOURCE 4 ORGANISM_TAXID: 211044; SOURCE 5 STRAIN: STRAIN A/PUERTO RICO/8/1934 H1N1; SOURCE 6 GENE: PB1; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)RILCODONPLUS; SOURCE 0 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: MODIFIED PET28; SOURCE 2 MOL_ID: 2; SOURCE 3 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS (A/PUERTO SOURCE 4 RICO/8/34(H1N1)); SOURCE 5 ORGANISM_TAXID: 211044; SOURCE 6 STRAIN: STRAIN A/PUERTO RICO/8/1934 H1N1; SOURCE 7 GENE: PB2; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)RILCODONPLUS; SOURCE 1 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 2 EXPRESSION_SYSTEM_PLASMID: MIDIFIED PET28 KEYWDS INFLUENZA VIRUS, RNA POLYMERASE, CRYSTAL STRUCTURE, KEYWDS 2 NUCLEOTIDE-BINDING, NUCLEOTIDYLTRANSFERASE, NUCLEUS, RNA KEYWDS 3 REPLICATION, RNA-DIRECTED RNA POLYMERASE, TRANSFERASE, KEYWDS 4 MITOCHONDRION, MRNA CAPPING, MRNA PROCESSING, VIRION EXPDTA X-RAY DIFFRACTION AUTHOR K.SUGIYAMA,S.-Y.PARK,E.OBAYASHI REVDAT 2 07-JUL-09 3A1G 1 JRNL REVDAT 1 09-JUN-09 3A1G 0 JRNL AUTH K.SUGIYAMA,E.OBAYASHI,A.KAWAGUCHI,Y.SUZUKI, JRNL AUTH 2 J.R.H.TAME,K.NAGATA,S.-Y.PARK JRNL TITL STRUCTURAL INSIGHT INTO THE ESSENTIAL PB1-PB2 JRNL TITL 2 SUBUNIT CONTACT OF THE INFLUENZA VIRUS RNA JRNL TITL 3 POLYMERASE JRNL REF EMBO J. V. 28 1803 2009 JRNL REFN ISSN 0261-4189 JRNL PMID 19461581 JRNL DOI 10.1038/EMBOJ.2009.138 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.1.24 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) : 1.70 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 REMARK 3 NUMBER OF REFLECTIONS : 24512 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) : 0.240 REMARK 3 R VALUE (WORKING SET) : 0.238 REMARK 3 FREE R VALUE : 0.290 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.100 REMARK 3 FREE R VALUE TEST SET COUNT : 1315 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) : 1.70 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.74 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1399 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 100.00 REMARK 3 BIN R VALUE (WORKING SET) : 0.2350 REMARK 3 BIN FREE R VALUE SET COUNT : 69 REMARK 3 BIN FREE R VALUE : 0.3100 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1826 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 63 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 36.54 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 4.34000 REMARK 3 B22 (A**2) : -2.46000 REMARK 3 B33 (A**2) : -1.69000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.70000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.137 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.139 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.092 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.709 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.931 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.894 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 1844 ; 0.023 ; 0.022 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2448 ; 1.845 ; 1.975 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 218 ; 6.734 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 88 ;37.835 ;22.045 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 400 ;18.170 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 26 ;18.653 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 268 ; 0.146 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1332 ; 0.006 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): 948 ; 0.247 ; 0.200 REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): 1291 ; 0.308 ; 0.200 REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): 85 ; 0.158 ; 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): 50 ; 0.226 ; 0.200 REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): 6 ; 0.264 ; 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): 1152 ; 1.503 ; 1.500 REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): 1792 ; 2.164 ; 2.000 REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): 777 ; 3.729 ; 3.000 REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): 656 ; 4.906 ; 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 : NULL 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: NULL REMARK 4 REMARK 4 3A1G COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 06-APR-09. REMARK 100 THE RCSB ID CODE IS RCSB028691. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 19-FEB-09 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : NULL 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-17A 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 : SAGITALLY FOCUSED SI(111) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 270 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 REMARK 200 DATA SCALING SOFTWARE : HKL-2000 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 25865 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.700 REMARK 200 RESOLUTION RANGE LOW (A) : 50.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 92.2 REMARK 200 DATA REDUNDANCY : 5.100 REMARK 200 R MERGE (I) : 0.04400 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 0.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.70 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.76 REMARK 200 COMPLETENESS FOR SHELL (%) : 73.0 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : 0.12400 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 25.000 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASER REMARK 200 STARTING MODEL: PDB ENTRY 2ZTT REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 45.08 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.24 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 80MM SODIUM CITRATE, 20% PEG 4000, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 30.35050 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.99350 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 30.35050 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 34.99350 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1, 2 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 3140 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 6930 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -27.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 350 REMARK 350 BIOMOLECULE: 2 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 2950 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 7000 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -27.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: C, D 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 678 REMARK 465 GLN A 679 REMARK 465 ARG A 680 REMARK 465 GLY A 681 REMARK 465 VAL A 682 REMARK 465 LEU A 683 REMARK 465 GLU A 684 REMARK 465 SER B 36 REMARK 465 GLY B 37 REMARK 465 SER C 678 REMARK 465 GLN C 679 REMARK 465 ARG C 680 REMARK 465 GLY C 681 REMARK 465 VAL C 682 REMARK 465 LEU C 683 REMARK 465 GLU C 684 REMARK 465 SER D 36 REMARK 465 GLY D 37 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 CYS A 693 CB CYS A 693 SG -0.096 REMARK 500 GLU B 2 CB GLU B 2 CG 0.122 REMARK 500 GLU B 2 CG GLU B 2 CD 0.107 REMARK 500 CYS C 693 CB CYS C 693 SG -0.107 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 B 10 CB - CG - CD1 ANGL. DEV. = 10.3 DEGREES REMARK 500 ARG C 723 NE - CZ - NH2 ANGL. DEV. = -3.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 703 57.07 -60.77 REMARK 500 TYR A 705 57.49 -92.60 REMARK 500 ARG C 706 98.07 -68.30 REMARK 500 ILE D 30 -70.06 -51.26 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 SER A 703 SER A 704 -147.02 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CHIRAL CENTERS REMARK 500 REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY REMARK 500 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: (11X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16) REMARK 500 REMARK 500 M RES CSSEQI IMPROPER EXPECTED FOUND DETAILS REMARK 500 GLU A 686 20.0 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2ZTT RELATED DB: PDB DBREF 3A1G A 678 757 UNP P03431 RDRP_I34A1 678 757 DBREF 3A1G B 1 37 UNP P03428 PB2_I34A1 1 37 DBREF 3A1G C 678 757 UNP P03431 RDRP_I34A1 678 757 DBREF 3A1G D 1 37 UNP P03428 PB2_I34A1 1 37 SEQADV 3A1G GLY B -2 UNP P03428 EXPRESSION TAG SEQADV 3A1G GLY B -1 UNP P03428 EXPRESSION TAG SEQADV 3A1G SER B 0 UNP P03428 EXPRESSION TAG SEQADV 3A1G GLY D -2 UNP P03428 EXPRESSION TAG SEQADV 3A1G GLY D -1 UNP P03428 EXPRESSION TAG SEQADV 3A1G SER D 0 UNP P03428 EXPRESSION TAG SEQRES 1 A 80 SER GLN ARG GLY VAL LEU GLU ASP GLU GLN MSE TYR GLN SEQRES 2 A 80 ARG CYS CYS ASN LEU PHE GLU LYS PHE PHE PRO SER SER SEQRES 3 A 80 SER TYR ARG ARG PRO VAL GLY ILE SER SER MSE VAL GLU SEQRES 4 A 80 ALA MSE VAL SER ARG ALA ARG ILE ASP ALA ARG ILE ASP SEQRES 5 A 80 PHE GLU SER GLY ARG ILE LYS LYS GLU GLU PHE THR GLU SEQRES 6 A 80 ILE MSE LYS ILE CYS SER THR ILE GLU GLU LEU ARG ARG SEQRES 7 A 80 GLN LYS SEQRES 1 B 40 GLY GLY SER MSE GLU ARG ILE LYS GLU LEU ARG ASN LEU SEQRES 2 B 40 MSE SER GLN SER ARG THR ARG GLU ILE LEU THR LYS THR SEQRES 3 B 40 THR VAL ASP HIS MSE ALA ILE ILE LYS LYS TYR THR SER SEQRES 4 B 40 GLY SEQRES 1 C 80 SER GLN ARG GLY VAL LEU GLU ASP GLU GLN MSE TYR GLN SEQRES 2 C 80 ARG CYS CYS ASN LEU PHE GLU LYS PHE PHE PRO SER SER SEQRES 3 C 80 SER TYR ARG ARG PRO VAL GLY ILE SER SER MSE VAL GLU SEQRES 4 C 80 ALA MSE VAL SER ARG ALA ARG ILE ASP ALA ARG ILE ASP SEQRES 5 C 80 PHE GLU SER GLY ARG ILE LYS LYS GLU GLU PHE THR GLU SEQRES 6 C 80 ILE MSE LYS ILE CYS SER THR ILE GLU GLU LEU ARG ARG SEQRES 7 C 80 GLN LYS SEQRES 1 D 40 GLY GLY SER MSE GLU ARG ILE LYS GLU LEU ARG ASN LEU SEQRES 2 D 40 MSE SER GLN SER ARG THR ARG GLU ILE LEU THR LYS THR SEQRES 3 D 40 THR VAL ASP HIS MSE ALA ILE ILE LYS LYS TYR THR SER SEQRES 4 D 40 GLY MODRES 3A1G MSE A 688 MET SELENOMETHIONINE MODRES 3A1G MSE A 714 MET SELENOMETHIONINE MODRES 3A1G MSE A 718 MET SELENOMETHIONINE MODRES 3A1G MSE A 744 MET SELENOMETHIONINE MODRES 3A1G MSE B 1 MET SELENOMETHIONINE MODRES 3A1G MSE B 11 MET SELENOMETHIONINE MODRES 3A1G MSE B 28 MET SELENOMETHIONINE MODRES 3A1G MSE C 688 MET SELENOMETHIONINE MODRES 3A1G MSE C 714 MET SELENOMETHIONINE MODRES 3A1G MSE C 718 MET SELENOMETHIONINE MODRES 3A1G MSE C 744 MET SELENOMETHIONINE MODRES 3A1G MSE D 1 MET SELENOMETHIONINE MODRES 3A1G MSE D 11 MET SELENOMETHIONINE MODRES 3A1G MSE D 28 MET SELENOMETHIONINE HET MSE A 688 8 HET MSE A 714 8 HET MSE A 718 8 HET MSE A 744 8 HET MSE B 1 8 HET MSE B 11 8 HET MSE B 28 8 HET MSE C 688 8 HET MSE C 714 8 HET MSE C 718 8 HET MSE C 744 8 HET MSE D 1 8 HET MSE D 11 8 HET MSE D 28 8 HETNAM MSE SELENOMETHIONINE FORMUL 1 MSE 14(C5 H11 N O2 SE) FORMUL 5 HOH *63(H2 O) HELIX 1 1 GLU A 686 PHE A 700 1 15 HELIX 2 2 SER A 713 SER A 732 1 20 HELIX 3 3 LYS A 736 GLN A 756 1 21 HELIX 4 4 GLY B -2 MSE B 11 1 14 HELIX 5 5 GLN B 13 THR B 23 1 11 HELIX 6 6 ASP B 26 TYR B 34 1 9 HELIX 7 7 ASP C 685 PHE C 700 1 16 HELIX 8 8 SER C 713 SER C 732 1 20 HELIX 9 9 LYS C 736 GLN C 756 1 21 HELIX 10 10 GLY D -2 MSE D 11 1 14 HELIX 11 11 GLN D 13 THR D 23 1 11 HELIX 12 12 ASP D 26 TYR D 34 1 9 LINK C GLN A 687 N MSE A 688 1555 1555 1.34 LINK C MSE A 688 N TYR A 689 1555 1555 1.34 LINK C SER A 713 N MSE A 714 1555 1555 1.33 LINK C MSE A 714 N VAL A 715 1555 1555 1.33 LINK C ALA A 717 N MSE A 718 1555 1555 1.34 LINK C MSE A 718 N VAL A 719 1555 1555 1.33 LINK C ILE A 743 N MSE A 744 1555 1555 1.34 LINK C MSE A 744 N LYS A 745 1555 1555 1.33 LINK C SER B 0 N MSE B 1 1555 1555 1.34 LINK C MSE B 1 N GLU B 2 1555 1555 1.35 LINK C LEU B 10 N MSE B 11 1555 1555 1.31 LINK C MSE B 11 N SER B 12 1555 1555 1.33 LINK C HIS B 27 N MSE B 28 1555 1555 1.35 LINK C MSE B 28 N ALA B 29 1555 1555 1.33 LINK C GLN C 687 N MSE C 688 1555 1555 1.34 LINK C MSE C 688 N TYR C 689 1555 1555 1.33 LINK C SER C 713 N MSE C 714 1555 1555 1.33 LINK C MSE C 714 N VAL C 715 1555 1555 1.33 LINK C ALA C 717 N MSE C 718 1555 1555 1.32 LINK C MSE C 718 N VAL C 719 1555 1555 1.33 LINK C ILE C 743 N MSE C 744 1555 1555 1.35 LINK C MSE C 744 N LYS C 745 1555 1555 1.34 LINK C SER D 0 N MSE D 1 1555 1555 1.34 LINK C MSE D 1 N GLU D 2 1555 1555 1.33 LINK C LEU D 10 N MSE D 11 1555 1555 1.33 LINK C MSE D 11 N SER D 12 1555 1555 1.34 LINK C HIS D 27 N MSE D 28 1555 1555 1.35 LINK C MSE D 28 N ALA D 29 1555 1555 1.33 CRYST1 60.701 69.987 61.348 90.00 97.94 90.00 C 1 2 1 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 0.016474 0.000000 0.002297 0.00000 SCALE2 0.000000 0.014288 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016458 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: D 24 THR OG1 : rot -84:sc= 0.0198 USER MOD Set 1.2: D 27 HIS : no HD1:sc= -0.0874 X(o=-0.068,f=0) USER MOD Set 2.1: C 690 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.59) USER MOD Set 2.2: C 694 ASN : amide:sc=-0.00279 X(o=-0.57,f=-0.56) USER MOD Set 3.1: B 24 THR OG1 : rot -170:sc= 1.23 USER MOD Set 3.2: B 27 HIS : no HD1:sc= 0.174 K(o=1.4,f=0.031) USER MOD Set 4.1: B 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: C 745 LYS NZ :NH3+ 159:sc= -8.07! (180deg=-9.95!) USER MOD Set 5.1: A 745 LYS NZ :NH3+ -142:sc= -8.53! (180deg=-12.2!) USER MOD Set 5.2: D 14 SER OG : rot 170:sc= -0.906 USER MOD Set 6.1: A 690 GLN : amide:sc= -0.245 X(o=-0.47,f=-0.23) USER MOD Set 6.2: A 694 ASN : amide:sc= -0.22 K(o=-0.47,f=-1.7!) USER MOD Single : A 687 GLN :FLIP amide:sc= -0.0443 F(o=-1.3!,f=-0.044) USER MOD Single : A 689 TYR OH : rot 15:sc= 0.357 USER MOD Single : A 692 CYS SG : rot 73:sc= 0.0398 USER MOD Single : A 693 CYS SG : rot 150:sc= -0.214 USER MOD Single : A 698 LYS NZ :NH3+ 167:sc= 1.72 (180deg=1.24) USER MOD Single : A 702 SER OG : rot 180:sc= 0 USER MOD Single : A 703 SER OG : rot -56:sc= 0.709 USER MOD Single : A 704 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 705 TYR OH : rot 180:sc= 0 USER MOD Single : A 712 SER OG : rot 180:sc= -0.0612 USER MOD Single : A 713 SER OG : rot -175:sc= -0.618 USER MOD Single : A 720 SER OG : rot 37:sc= 0.0111 USER MOD Single : A 732 SER OG : rot -37:sc= -0.429 USER MOD Single : A 736 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 741 THR OG1 : rot -8:sc= 0.0171 USER MOD Single : A 747 CYS SG : rot 76:sc= 0.0629 USER MOD Single : A 748 SER OG : rot -35:sc= 2.08 USER MOD Single : A 749 THR OG1 : rot 145:sc= 2.31 USER MOD Single : A 756 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 757 LYS NZ :NH3+ -166:sc= -0.197 (180deg=-0.404) USER MOD Single : B 0 SER OG : rot 86:sc= 1.04 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 ASN : amide:sc= -0.33 K(o=-0.33,f=-5.7!) USER MOD Single : B -2 GLY N :NH3+ -171:sc= 0.119 (180deg=0.102) USER MOD Single : B 12 SER OG : rot 69:sc= -0.625 USER MOD Single : B 13 GLN :FLIP amide:sc= -0.369 F(o=-0.97,f=-0.37) USER MOD Single : B 16 THR OG1 : rot 93:sc= 2.3 USER MOD Single : B 21 THR OG1 : rot -86:sc= 0.834 USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 23 THR OG1 : rot 92:sc= 1.15 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 THR OG1 : rot 80:sc= 0.0211 USER MOD Single : C 687 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 689 TYR OH : rot 180:sc= 0 USER MOD Single : C 692 CYS SG : rot 76:sc= -0.339 USER MOD Single : C 693 CYS SG : rot 71:sc= -10.3! USER MOD Single : C 698 LYS NZ :NH3+ -152:sc= 1.17 (180deg=0.257) USER MOD Single : C 702 SER OG : rot 180:sc= 0 USER MOD Single : C 703 SER OG : rot 180:sc= 0 USER MOD Single : C 704 SER OG : rot -105:sc= -0.0262 USER MOD Single : C 705 TYR OH : rot 180:sc= 0 USER MOD Single : C 712 SER OG : rot 178:sc= -7.3! USER MOD Single : C 713 SER OG : rot 180:sc= 0.0149 USER MOD Single : C 720 SER OG : rot 180:sc= 0 USER MOD Single : C 732 SER OG : rot 180:sc= 0.0949 USER MOD Single : C 736 LYS NZ :NH3+ 142:sc= 1.04 (180deg=0.321) USER MOD Single : C 737 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 741 THR OG1 : rot -22:sc= 0.736 USER MOD Single : C 747 CYS SG : rot 78:sc= 0.0828 USER MOD Single : C 748 SER OG : rot 50:sc= 0.0864 USER MOD Single : C 749 THR OG1 : rot 146:sc= 1.79 USER MOD Single : C 756 GLN : amide:sc= -0.583 K(o=-0.58,f=-2) USER MOD Single : C 757 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 0 SER OG : rot -137:sc= 1.17 USER MOD Single : D 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 9 ASN : amide:sc= 0.0831 X(o=0.083,f=-0.32) USER MOD Single : D -2 GLY N :NH3+ 130:sc= 0.0679 (180deg=0) USER MOD Single : D 12 SER OG : rot 68:sc= 0.783 USER MOD Single : D 13 GLN :FLIP amide:sc= 0.874 F(o=0.27,f=0.87) USER MOD Single : D 16 THR OG1 : rot 86:sc= 1.25 USER MOD Single : D 21 THR OG1 : rot -77:sc= 0.75 USER MOD Single : D 22 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0879) USER MOD Single : D 23 THR OG1 : rot 85:sc= 0.697 USER MOD Single : D 32 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.301) USER MOD Single : D 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 34 TYR OH : rot 180:sc= 0 USER MOD Single : D 35 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 685 -23.210 -22.248 -1.613 1.00 52.78 N ATOM 2 CA ASP A 685 -21.768 -21.877 -1.646 1.00 52.86 C ATOM 3 C ASP A 685 -21.419 -21.064 -0.383 1.00 52.05 C ATOM 4 O ASP A 685 -21.296 -21.661 0.694 1.00 52.38 O ATOM 5 CB ASP A 685 -21.407 -21.208 -2.977 1.00 52.96 C ATOM 6 CG ASP A 685 -21.186 -22.234 -4.097 1.00 54.83 C ATOM 7 OD1 ASP A 685 -21.158 -21.842 -5.287 1.00 57.14 O ATOM 8 OD2 ASP A 685 -21.053 -23.452 -3.798 1.00 57.14 O ATOM 0 HA ASP A 685 -21.207 -22.668 -1.616 1.00 52.86 H new ATOM 0 HB2 ASP A 685 -22.116 -20.598 -3.234 1.00 52.96 H new ATOM 0 HB3 ASP A 685 -20.603 -20.677 -2.863 1.00 52.96 H new ATOM 9 N GLU A 686 -21.270 -19.744 -0.478 1.00 51.01 N ATOM 10 CA GLU A 686 -21.410 -18.932 0.744 1.00 49.09 C ATOM 11 C GLU A 686 -22.145 -17.615 0.674 1.00 48.25 C ATOM 12 O GLU A 686 -21.882 -16.703 -0.128 1.00 47.10 O ATOM 13 CB GLU A 686 -20.205 -18.908 1.703 1.00 49.37 C ATOM 14 CG GLU A 686 -20.397 -19.725 3.034 1.00 49.70 C ATOM 15 CD GLU A 686 -21.598 -19.302 3.913 1.00 52.67 C ATOM 16 OE1 GLU A 686 -22.734 -19.804 3.710 1.00 54.77 O ATOM 17 OE2 GLU A 686 -21.404 -18.496 4.843 1.00 51.65 O ATOM 0 H GLU A 686 -21.096 -19.310 -1.200 1.00 51.01 H new ATOM 0 HA GLU A 686 -22.069 -19.501 1.171 1.00 49.09 H new ATOM 0 HB2 GLU A 686 -19.430 -19.256 1.235 1.00 49.37 H new ATOM 0 HB3 GLU A 686 -20.009 -17.986 1.931 1.00 49.37 H new ATOM 0 HG2 GLU A 686 -20.498 -20.663 2.807 1.00 49.70 H new ATOM 0 HG3 GLU A 686 -19.587 -19.646 3.562 1.00 49.70 H new ATOM 18 N GLN A 687 -23.118 -17.553 1.562 1.00 47.04 N ATOM 19 CA GLN A 687 -23.976 -16.400 1.684 1.00 46.82 C ATOM 20 C GLN A 687 -23.201 -15.273 2.355 1.00 45.38 C ATOM 21 O GLN A 687 -23.554 -14.123 2.159 1.00 44.69 O ATOM 22 CB GLN A 687 -25.227 -16.753 2.496 1.00 47.21 C ATOM 23 CG GLN A 687 -26.121 -17.799 1.842 1.00 47.92 C ATOM 24 CD GLN A 687 -27.219 -18.326 2.770 1.00 49.03 C ATOM 25 OE1 GLN A 687 -27.130 -18.006 4.072 1.00 52.38 O flip ATOM 26 NE2 GLN A 687 -28.138 -19.004 2.316 1.00 50.81 N flip ATOM 0 H GLN A 687 -23.299 -18.186 2.115 1.00 47.04 H new ATOM 0 HA GLN A 687 -24.262 -16.112 0.803 1.00 46.82 H new ATOM 0 HB2 GLN A 687 -24.953 -17.076 3.369 1.00 47.21 H new ATOM 0 HB3 GLN A 687 -25.744 -15.945 2.642 1.00 47.21 H new ATOM 0 HG2 GLN A 687 -26.532 -17.415 1.051 1.00 47.92 H new ATOM 0 HG3 GLN A 687 -25.574 -18.543 1.545 1.00 47.92 H new ATOM 0 HE21 GLN A 687 -28.162 -19.189 1.476 1.00 50.81 H new ATOM 0 HE22 GLN A 687 -28.757 -19.293 2.838 1.00 50.81 H new HETATM 27 N MSE A 688 -22.166 -15.606 3.134 1.00 44.36 N HETATM 28 CA MSE A 688 -21.271 -14.584 3.724 1.00 45.91 C HETATM 29 C MSE A 688 -20.522 -13.814 2.641 1.00 42.77 C HETATM 30 O MSE A 688 -20.504 -12.593 2.662 1.00 42.07 O HETATM 31 CB MSE A 688 -20.212 -15.171 4.630 1.00 44.99 C HETATM 32 CG MSE A 688 -20.645 -16.197 5.602 1.00 48.41 C HETATM 33 SE MSE A 688 -19.861 -15.648 7.237 1.00 56.79 SE HETATM 34 CE MSE A 688 -21.339 -14.432 7.632 1.00 46.39 C HETATM 0 H MSE A 688 -21.960 -16.416 3.336 1.00 44.36 H new HETATM 0 HA MSE A 688 -21.861 -14.008 4.235 1.00 45.91 H new HETATM 0 HB2 MSE A 688 -19.521 -15.559 4.071 1.00 44.99 H new HETATM 0 HB3 MSE A 688 -19.802 -14.443 5.124 1.00 44.99 H new HETATM 0 HG2 MSE A 688 -21.612 -16.237 5.668 1.00 48.41 H new HETATM 0 HG3 MSE A 688 -20.342 -17.081 5.343 1.00 48.41 H new HETATM 0 HE1 MSE A 688 -21.176 -13.989 8.480 1.00 46.39 H new HETATM 0 HE2 MSE A 688 -21.409 -13.768 6.929 1.00 46.39 H new HETATM 0 HE3 MSE A 688 -22.167 -14.935 7.684 1.00 46.39 H new ATOM 35 N TYR A 689 -19.887 -14.534 1.713 1.00 41.05 N ATOM 36 CA TYR A 689 -19.286 -13.887 0.534 1.00 38.70 C ATOM 37 C TYR A 689 -20.356 -13.103 -0.249 1.00 37.24 C ATOM 38 O TYR A 689 -20.083 -12.004 -0.730 1.00 34.74 O ATOM 39 CB TYR A 689 -18.527 -14.902 -0.367 1.00 39.73 C ATOM 40 CG TYR A 689 -17.303 -15.611 0.262 1.00 40.98 C ATOM 41 CD1 TYR A 689 -16.019 -15.074 0.171 1.00 41.86 C ATOM 42 CD2 TYR A 689 -17.442 -16.837 0.897 1.00 43.78 C ATOM 43 CE1 TYR A 689 -14.898 -15.743 0.720 1.00 44.40 C ATOM 44 CE2 TYR A 689 -16.343 -17.516 1.454 1.00 44.16 C ATOM 45 CZ TYR A 689 -15.080 -16.964 1.370 1.00 43.87 C ATOM 46 OH TYR A 689 -14.017 -17.654 1.932 1.00 44.94 O ATOM 0 H TYR A 689 -19.792 -15.388 1.743 1.00 41.05 H new ATOM 0 HA TYR A 689 -18.620 -13.255 0.846 1.00 38.70 H new ATOM 0 HB2 TYR A 689 -19.156 -15.582 -0.654 1.00 39.73 H new ATOM 0 HB3 TYR A 689 -18.230 -14.436 -1.164 1.00 39.73 H new ATOM 0 HD1 TYR A 689 -15.896 -14.259 -0.260 1.00 41.86 H new ATOM 0 HD2 TYR A 689 -18.287 -17.221 0.956 1.00 43.78 H new ATOM 0 HE1 TYR A 689 -14.048 -15.372 0.648 1.00 44.40 H new ATOM 0 HE2 TYR A 689 -16.467 -18.335 1.878 1.00 44.16 H new ATOM 0 HH TYR A 689 -13.353 -17.143 1.994 1.00 44.94 H new ATOM 47 N GLN A 690 -21.580 -13.638 -0.355 1.00 36.78 N ATOM 48 CA GLN A 690 -22.662 -12.939 -1.048 1.00 36.56 C ATOM 49 C GLN A 690 -23.071 -11.670 -0.293 1.00 35.17 C ATOM 50 O GLN A 690 -23.352 -10.650 -0.911 1.00 34.27 O ATOM 51 CB GLN A 690 -23.925 -13.824 -1.276 1.00 38.14 C ATOM 52 CG GLN A 690 -24.908 -13.280 -2.343 1.00 42.65 C ATOM 53 CD GLN A 690 -24.300 -13.214 -3.758 1.00 48.96 C ATOM 54 OE1 GLN A 690 -24.429 -12.204 -4.468 1.00 50.33 O ATOM 55 NE2 GLN A 690 -23.616 -14.288 -4.157 1.00 50.10 N ATOM 0 H GLN A 690 -21.800 -14.404 -0.032 1.00 36.78 H new ATOM 0 HA GLN A 690 -22.304 -12.708 -1.919 1.00 36.56 H new ATOM 0 HB2 GLN A 690 -23.640 -14.713 -1.539 1.00 38.14 H new ATOM 0 HB3 GLN A 690 -24.398 -13.916 -0.434 1.00 38.14 H new ATOM 0 HG2 GLN A 690 -25.697 -13.844 -2.363 1.00 42.65 H new ATOM 0 HG3 GLN A 690 -25.200 -12.393 -2.082 1.00 42.65 H new ATOM 0 HE21 GLN A 690 -23.547 -14.971 -3.639 1.00 50.10 H new ATOM 0 HE22 GLN A 690 -23.244 -14.297 -4.932 1.00 50.10 H new ATOM 56 N ARG A 691 -23.093 -11.744 1.032 1.00 33.77 N ATOM 57 CA ARG A 691 -23.377 -10.545 1.829 1.00 33.27 C ATOM 58 C ARG A 691 -22.321 -9.444 1.589 1.00 31.63 C ATOM 59 O ARG A 691 -22.654 -8.247 1.522 1.00 31.84 O ATOM 60 CB ARG A 691 -23.401 -10.852 3.306 1.00 33.58 C ATOM 61 CG ARG A 691 -23.988 -9.690 4.101 1.00 37.22 C ATOM 62 CD ARG A 691 -24.604 -10.120 5.408 1.00 42.44 C ATOM 63 NE ARG A 691 -25.491 -9.067 5.906 1.00 47.39 N ATOM 64 CZ ARG A 691 -26.335 -9.213 6.925 1.00 50.29 C ATOM 65 NH1 ARG A 691 -26.411 -10.364 7.584 1.00 51.18 N ATOM 66 NH2 ARG A 691 -27.106 -8.201 7.292 1.00 53.64 N ATOM 0 H ARG A 691 -22.950 -12.460 1.486 1.00 33.77 H new ATOM 0 HA ARG A 691 -24.250 -10.233 1.545 1.00 33.27 H new ATOM 0 HB2 ARG A 691 -23.925 -11.653 3.464 1.00 33.58 H new ATOM 0 HB3 ARG A 691 -22.500 -11.037 3.615 1.00 33.58 H new ATOM 0 HG2 ARG A 691 -23.290 -9.040 4.277 1.00 37.22 H new ATOM 0 HG3 ARG A 691 -24.661 -9.245 3.563 1.00 37.22 H new ATOM 0 HD2 ARG A 691 -25.102 -10.943 5.285 1.00 42.44 H new ATOM 0 HD3 ARG A 691 -23.908 -10.303 6.059 1.00 42.44 H new ATOM 0 HE ARG A 691 -25.465 -8.302 5.514 1.00 47.39 H new ATOM 0 HH11 ARG A 691 -25.912 -11.025 7.354 1.00 51.18 H new ATOM 0 HH12 ARG A 691 -26.960 -10.448 8.241 1.00 51.18 H new ATOM 0 HH21 ARG A 691 -27.061 -7.452 6.872 1.00 53.64 H new ATOM 0 HH22 ARG A 691 -27.652 -8.293 7.950 1.00 53.64 H new ATOM 67 N CYS A 692 -21.064 -9.852 1.559 1.00 30.31 N ATOM 68 CA CYS A 692 -20.007 -8.855 1.308 1.00 28.91 C ATOM 69 C CYS A 692 -20.159 -8.307 -0.099 1.00 28.68 C ATOM 70 O CYS A 692 -20.064 -7.098 -0.315 1.00 28.25 O ATOM 71 CB CYS A 692 -18.632 -9.462 1.542 1.00 27.82 C ATOM 72 SG CYS A 692 -18.374 -9.983 3.244 1.00 30.05 S ATOM 0 H CYS A 692 -20.798 -10.662 1.674 1.00 30.31 H new ATOM 0 HA CYS A 692 -20.097 -8.117 1.931 1.00 28.91 H new ATOM 0 HB2 CYS A 692 -18.517 -10.225 0.954 1.00 27.82 H new ATOM 0 HB3 CYS A 692 -17.952 -8.813 1.301 1.00 27.82 H new ATOM 0 HG CYS A 692 -19.018 -10.971 3.462 1.00 30.05 H new ATOM 73 N CYS A 693 -20.450 -9.181 -1.062 1.00 29.22 N ATOM 74 CA CYS A 693 -20.504 -8.741 -2.471 1.00 31.29 C ATOM 75 C CYS A 693 -21.658 -7.825 -2.705 1.00 30.09 C ATOM 76 O CYS A 693 -21.547 -6.804 -3.406 1.00 31.32 O ATOM 77 CB CYS A 693 -20.574 -9.944 -3.435 1.00 31.28 C ATOM 78 SG CYS A 693 -19.006 -10.571 -3.738 1.00 42.70 S ATOM 0 H CYS A 693 -20.617 -10.015 -0.933 1.00 29.22 H new ATOM 0 HA CYS A 693 -19.684 -8.255 -2.652 1.00 31.29 H new ATOM 0 HB2 CYS A 693 -21.136 -10.637 -3.055 1.00 31.28 H new ATOM 0 HB3 CYS A 693 -20.985 -9.672 -4.270 1.00 31.28 H new ATOM 0 HG CYS A 693 -19.081 -11.749 -3.955 1.00 42.70 H new ATOM 79 N ASN A 694 -22.782 -8.163 -2.075 1.00 31.32 N ATOM 80 CA ASN A 694 -23.970 -7.360 -2.132 1.00 31.02 C ATOM 81 C ASN A 694 -23.768 -5.964 -1.580 1.00 30.36 C ATOM 82 O ASN A 694 -24.311 -4.991 -2.122 1.00 31.27 O ATOM 83 CB ASN A 694 -25.113 -8.022 -1.354 1.00 33.01 C ATOM 84 CG ASN A 694 -25.684 -9.242 -2.091 1.00 36.49 C ATOM 85 OD1 ASN A 694 -25.440 -9.423 -3.281 1.00 40.87 O ATOM 86 ND2 ASN A 694 -26.424 -10.062 -1.385 1.00 38.87 N ATOM 0 H ASN A 694 -22.864 -8.876 -1.600 1.00 31.32 H new ATOM 0 HA ASN A 694 -24.193 -7.288 -3.073 1.00 31.02 H new ATOM 0 HB2 ASN A 694 -24.792 -8.295 -0.480 1.00 33.01 H new ATOM 0 HB3 ASN A 694 -25.820 -7.374 -1.207 1.00 33.01 H new ATOM 0 HD21 ASN A 694 -26.762 -10.762 -1.753 1.00 38.87 H new ATOM 0 HD22 ASN A 694 -26.572 -9.900 -0.553 1.00 38.87 H new ATOM 87 N LEU A 695 -23.042 -5.892 -0.463 1.00 29.56 N ATOM 88 CA LEU A 695 -22.712 -4.579 0.144 1.00 27.96 C ATOM 89 C LEU A 695 -21.805 -3.752 -0.755 1.00 27.53 C ATOM 90 O LEU A 695 -21.980 -2.529 -0.893 1.00 26.91 O ATOM 91 CB LEU A 695 -22.109 -4.743 1.527 1.00 28.06 C ATOM 92 CG LEU A 695 -21.795 -3.414 2.238 1.00 29.00 C ATOM 93 CD1 LEU A 695 -23.145 -2.687 2.415 1.00 30.25 C ATOM 94 CD2 LEU A 695 -21.195 -3.684 3.560 1.00 31.18 C ATOM 0 H LEU A 695 -22.731 -6.574 -0.040 1.00 29.56 H new ATOM 0 HA LEU A 695 -23.546 -4.093 0.240 1.00 27.96 H new ATOM 0 HB2 LEU A 695 -22.721 -5.256 2.077 1.00 28.06 H new ATOM 0 HB3 LEU A 695 -21.292 -5.260 1.454 1.00 28.06 H new ATOM 0 HG LEU A 695 -21.168 -2.878 1.727 1.00 29.00 H new ATOM 0 HD11 LEU A 695 -23.000 -1.838 2.861 1.00 30.25 H new ATOM 0 HD12 LEU A 695 -23.545 -2.530 1.545 1.00 30.25 H new ATOM 0 HD13 LEU A 695 -23.740 -3.235 2.950 1.00 30.25 H new ATOM 0 HD21 LEU A 695 -20.999 -2.844 4.004 1.00 31.18 H new ATOM 0 HD22 LEU A 695 -21.817 -4.197 4.099 1.00 31.18 H new ATOM 0 HD23 LEU A 695 -20.374 -4.188 3.446 1.00 31.18 H new ATOM 95 N PHE A 696 -20.788 -4.395 -1.306 1.00 27.90 N ATOM 96 CA PHE A 696 -19.906 -3.727 -2.246 1.00 28.04 C ATOM 97 C PHE A 696 -20.625 -2.989 -3.380 1.00 29.35 C ATOM 98 O PHE A 696 -20.298 -1.845 -3.704 1.00 28.33 O ATOM 99 CB PHE A 696 -18.856 -4.725 -2.753 1.00 26.70 C ATOM 100 CG PHE A 696 -17.731 -4.075 -3.477 1.00 26.96 C ATOM 101 CD1 PHE A 696 -16.593 -3.673 -2.763 1.00 25.19 C ATOM 102 CD2 PHE A 696 -17.789 -3.898 -4.862 1.00 29.28 C ATOM 103 CE1 PHE A 696 -15.522 -3.062 -3.424 1.00 28.78 C ATOM 104 CE2 PHE A 696 -16.715 -3.276 -5.546 1.00 25.79 C ATOM 105 CZ PHE A 696 -15.562 -2.876 -4.777 1.00 26.81 C ATOM 0 H PHE A 696 -20.591 -5.217 -1.149 1.00 27.90 H new ATOM 0 HA PHE A 696 -19.460 -3.012 -1.765 1.00 28.04 H new ATOM 0 HB2 PHE A 696 -18.503 -5.224 -2.000 1.00 26.70 H new ATOM 0 HB3 PHE A 696 -19.285 -5.365 -3.342 1.00 26.70 H new ATOM 0 HD1 PHE A 696 -16.550 -3.813 -1.845 1.00 25.19 H new ATOM 0 HD2 PHE A 696 -18.534 -4.189 -5.336 1.00 29.28 H new ATOM 0 HE1 PHE A 696 -14.779 -2.781 -2.940 1.00 28.78 H new ATOM 0 HE2 PHE A 696 -16.752 -3.130 -6.464 1.00 25.79 H new ATOM 0 HZ PHE A 696 -14.836 -2.486 -5.208 1.00 26.81 H new ATOM 106 N GLU A 697 -21.658 -3.625 -3.941 1.00 29.66 N ATOM 107 CA GLU A 697 -22.491 -3.042 -4.969 1.00 32.15 C ATOM 108 C GLU A 697 -23.270 -1.787 -4.547 1.00 31.09 C ATOM 109 O GLU A 697 -23.672 -1.010 -5.402 1.00 32.00 O ATOM 110 CB GLU A 697 -23.399 -4.142 -5.529 1.00 32.09 C ATOM 111 CG GLU A 697 -22.717 -5.103 -6.555 1.00 39.03 C ATOM 112 CD GLU A 697 -21.193 -5.258 -6.421 1.00 44.99 C ATOM 113 OE1 GLU A 697 -20.453 -4.381 -6.958 1.00 48.10 O ATOM 114 OE2 GLU A 697 -20.725 -6.270 -5.811 1.00 48.61 O ATOM 0 H GLU A 697 -21.890 -4.424 -3.723 1.00 29.66 H new ATOM 0 HA GLU A 697 -21.905 -2.702 -5.663 1.00 32.15 H new ATOM 0 HB2 GLU A 697 -23.739 -4.669 -4.789 1.00 32.09 H new ATOM 0 HB3 GLU A 697 -24.164 -3.725 -5.956 1.00 32.09 H new ATOM 0 HG2 GLU A 697 -23.122 -5.980 -6.469 1.00 39.03 H new ATOM 0 HG3 GLU A 697 -22.915 -4.785 -7.450 1.00 39.03 H new ATOM 115 N LYS A 698 -23.458 -1.571 -3.236 1.00 29.27 N ATOM 116 CA LYS A 698 -24.016 -0.335 -2.705 1.00 28.82 C ATOM 117 C LYS A 698 -23.031 0.818 -2.767 1.00 26.73 C ATOM 118 O LYS A 698 -23.451 1.964 -2.769 1.00 26.15 O ATOM 119 CB LYS A 698 -24.492 -0.481 -1.266 1.00 28.37 C ATOM 120 CG LYS A 698 -25.378 -1.709 -0.951 1.00 33.64 C ATOM 121 CD LYS A 698 -25.854 -1.561 0.488 1.00 36.84 C ATOM 122 CE LYS A 698 -26.964 -2.518 0.925 1.00 42.83 C ATOM 123 NZ LYS A 698 -27.227 -2.291 2.431 1.00 43.76 N ATOM 0 H LYS A 698 -23.260 -2.149 -2.631 1.00 29.27 H new ATOM 0 HA LYS A 698 -24.776 -0.140 -3.275 1.00 28.82 H new ATOM 0 HB2 LYS A 698 -23.712 -0.514 -0.691 1.00 28.37 H new ATOM 0 HB3 LYS A 698 -24.986 0.319 -1.028 1.00 28.37 H new ATOM 0 HG2 LYS A 698 -26.133 -1.752 -1.559 1.00 33.64 H new ATOM 0 HG3 LYS A 698 -24.876 -2.531 -1.063 1.00 33.64 H new ATOM 0 HD2 LYS A 698 -25.093 -1.685 1.077 1.00 36.84 H new ATOM 0 HD3 LYS A 698 -26.166 -0.651 0.616 1.00 36.84 H new ATOM 0 HE2 LYS A 698 -27.771 -2.357 0.412 1.00 42.83 H new ATOM 0 HE3 LYS A 698 -26.702 -3.438 0.762 1.00 42.83 H new ATOM 0 HZ1 LYS A 698 -27.986 -2.694 2.664 1.00 43.76 H new ATOM 0 HZ2 LYS A 698 -26.554 -2.630 2.905 1.00 43.76 H new ATOM 0 HZ3 LYS A 698 -27.293 -1.418 2.593 1.00 43.76 H new ATOM 124 N PHE A 699 -21.728 0.513 -2.803 1.00 25.92 N ATOM 125 CA PHE A 699 -20.707 1.566 -2.998 1.00 27.12 C ATOM 126 C PHE A 699 -20.274 1.730 -4.442 1.00 28.46 C ATOM 127 O PHE A 699 -19.876 2.818 -4.853 1.00 27.91 O ATOM 128 CB PHE A 699 -19.478 1.225 -2.178 1.00 25.00 C ATOM 129 CG PHE A 699 -19.729 1.234 -0.712 1.00 25.91 C ATOM 130 CD1 PHE A 699 -19.532 2.403 0.007 1.00 25.11 C ATOM 131 CD2 PHE A 699 -20.218 0.093 -0.063 1.00 24.97 C ATOM 132 CE1 PHE A 699 -19.788 2.473 1.370 1.00 22.78 C ATOM 133 CE2 PHE A 699 -20.477 0.134 1.310 1.00 25.04 C ATOM 134 CZ PHE A 699 -20.229 1.313 2.023 1.00 24.18 C ATOM 0 H PHE A 699 -21.413 -0.283 -2.718 1.00 25.92 H new ATOM 0 HA PHE A 699 -21.116 2.400 -2.717 1.00 27.12 H new ATOM 0 HB2 PHE A 699 -19.155 0.348 -2.439 1.00 25.00 H new ATOM 0 HB3 PHE A 699 -18.773 1.859 -2.383 1.00 25.00 H new ATOM 0 HD1 PHE A 699 -19.220 3.160 -0.435 1.00 25.11 H new ATOM 0 HD2 PHE A 699 -20.370 -0.689 -0.544 1.00 24.97 H new ATOM 0 HE1 PHE A 699 -19.670 3.268 1.837 1.00 22.78 H new ATOM 0 HE2 PHE A 699 -20.811 -0.616 1.746 1.00 25.04 H new ATOM 0 HZ PHE A 699 -20.359 1.327 2.944 1.00 24.18 H new ATOM 135 N PHE A 700 -20.333 0.627 -5.199 1.00 30.34 N ATOM 136 CA PHE A 700 -19.933 0.635 -6.587 1.00 33.99 C ATOM 137 C PHE A 700 -21.027 -0.007 -7.475 1.00 36.82 C ATOM 138 O PHE A 700 -20.874 -1.145 -7.908 1.00 37.84 O ATOM 139 CB PHE A 700 -18.562 -0.050 -6.746 1.00 32.80 C ATOM 140 CG PHE A 700 -17.431 0.643 -6.004 1.00 33.68 C ATOM 141 CD1 PHE A 700 -16.752 1.713 -6.578 1.00 33.84 C ATOM 142 CD2 PHE A 700 -17.027 0.206 -4.724 1.00 32.98 C ATOM 143 CE1 PHE A 700 -15.718 2.375 -5.899 1.00 33.18 C ATOM 144 CE2 PHE A 700 -16.003 0.854 -4.049 1.00 30.68 C ATOM 145 CZ PHE A 700 -15.342 1.927 -4.633 1.00 31.29 C ATOM 0 H PHE A 700 -20.606 -0.137 -4.913 1.00 30.34 H new ATOM 0 HA PHE A 700 -19.834 1.552 -6.888 1.00 33.99 H new ATOM 0 HB2 PHE A 700 -18.630 -0.965 -6.430 1.00 32.80 H new ATOM 0 HB3 PHE A 700 -18.339 -0.091 -7.689 1.00 32.80 H new ATOM 0 HD1 PHE A 700 -16.989 1.996 -7.432 1.00 33.84 H new ATOM 0 HD2 PHE A 700 -17.451 -0.522 -4.330 1.00 32.98 H new ATOM 0 HE1 PHE A 700 -15.289 3.103 -6.288 1.00 33.18 H new ATOM 0 HE2 PHE A 700 -15.757 0.568 -3.199 1.00 30.68 H new ATOM 0 HZ PHE A 700 -14.648 2.347 -4.179 1.00 31.29 H new ATOM 146 N PRO A 701 -22.147 0.712 -7.694 1.00 40.25 N ATOM 147 CA PRO A 701 -23.334 0.209 -8.395 1.00 43.45 C ATOM 148 C PRO A 701 -23.098 -0.427 -9.748 1.00 46.54 C ATOM 149 O PRO A 701 -22.030 -0.281 -10.350 1.00 47.25 O ATOM 150 CB PRO A 701 -24.201 1.458 -8.561 1.00 42.93 C ATOM 151 CG PRO A 701 -23.885 2.279 -7.416 1.00 41.74 C ATOM 152 CD PRO A 701 -22.373 2.089 -7.224 1.00 40.15 C ATOM 0 HA PRO A 701 -23.724 -0.515 -7.881 1.00 43.45 H new ATOM 0 HB2 PRO A 701 -24.000 1.918 -9.391 1.00 42.93 H new ATOM 0 HB3 PRO A 701 -25.144 1.232 -8.583 1.00 42.93 H new ATOM 0 HG2 PRO A 701 -24.108 3.210 -7.574 1.00 41.74 H new ATOM 0 HG3 PRO A 701 -24.380 1.998 -6.631 1.00 41.74 H new ATOM 0 HD2 PRO A 701 -21.862 2.732 -7.740 1.00 40.15 H new ATOM 0 HD3 PRO A 701 -22.113 2.199 -6.296 1.00 40.15 H new ATOM 153 N SER A 702 -24.119 -1.159 -10.177 1.00 49.95 N ATOM 154 CA SER A 702 -24.216 -1.760 -11.501 1.00 53.18 C ATOM 155 C SER A 702 -24.471 -0.705 -12.595 1.00 54.38 C ATOM 156 O SER A 702 -24.337 -1.002 -13.787 1.00 55.20 O ATOM 157 CB SER A 702 -25.303 -2.844 -11.501 1.00 53.18 C ATOM 158 OG SER A 702 -25.046 -3.811 -10.484 1.00 55.62 O ATOM 0 H SER A 702 -24.803 -1.326 -9.684 1.00 49.95 H new ATOM 0 HA SER A 702 -23.364 -2.173 -11.711 1.00 53.18 H new ATOM 0 HB2 SER A 702 -26.172 -2.438 -11.356 1.00 53.18 H new ATOM 0 HB3 SER A 702 -25.334 -3.279 -12.368 1.00 53.18 H new ATOM 0 HG SER A 702 -25.649 -4.396 -10.495 1.00 55.62 H new ATOM 159 N SER A 703 -24.840 0.514 -12.187 1.00 56.27 N ATOM 160 CA SER A 703 -24.587 1.714 -12.990 1.00 57.91 C ATOM 161 C SER A 703 -23.056 1.764 -13.120 1.00 58.84 C ATOM 162 O SER A 703 -22.388 2.762 -12.810 1.00 59.06 O ATOM 163 CB SER A 703 -25.153 2.953 -12.286 1.00 58.10 C ATOM 164 OG SER A 703 -24.628 4.158 -12.824 1.00 58.42 O ATOM 0 H SER A 703 -25.241 0.667 -11.442 1.00 56.27 H new ATOM 0 HA SER A 703 -25.015 1.693 -13.860 1.00 57.91 H new ATOM 0 HB2 SER A 703 -26.119 2.957 -12.368 1.00 58.10 H new ATOM 0 HB3 SER A 703 -24.949 2.907 -11.339 1.00 58.10 H new ATOM 0 HG SER A 703 -23.789 4.139 -12.788 1.00 58.42 H new ATOM 165 N SER A 704 -22.547 0.657 -13.662 1.00 60.05 N ATOM 166 CA SER A 704 -21.243 0.059 -13.348 1.00 60.74 C ATOM 167 C SER A 704 -19.955 0.884 -13.331 1.00 61.19 C ATOM 168 O SER A 704 -19.129 0.685 -12.425 1.00 61.62 O ATOM 169 CB SER A 704 -21.029 -1.178 -14.221 1.00 60.70 C ATOM 170 OG SER A 704 -19.652 -1.505 -14.286 1.00 61.11 O ATOM 0 H SER A 704 -22.976 0.208 -14.257 1.00 60.05 H new ATOM 0 HA SER A 704 -21.358 -0.110 -12.400 1.00 60.74 H new ATOM 0 HB2 SER A 704 -21.528 -1.927 -13.859 1.00 60.70 H new ATOM 0 HB3 SER A 704 -21.371 -1.014 -15.114 1.00 60.70 H new ATOM 0 HG SER A 704 -19.548 -2.186 -14.767 1.00 61.11 H new ATOM 171 N TYR A 705 -19.779 1.777 -14.308 1.00 61.27 N ATOM 172 CA TYR A 705 -18.439 2.300 -14.636 1.00 61.56 C ATOM 173 C TYR A 705 -17.985 3.605 -13.946 1.00 60.95 C ATOM 174 O TYR A 705 -17.644 4.589 -14.600 1.00 61.64 O ATOM 175 CB TYR A 705 -18.237 2.368 -16.161 1.00 62.03 C ATOM 176 CG TYR A 705 -16.946 1.711 -16.641 1.00 62.80 C ATOM 177 CD1 TYR A 705 -15.942 2.462 -17.263 1.00 63.09 C ATOM 178 CD2 TYR A 705 -16.737 0.331 -16.478 1.00 63.10 C ATOM 179 CE1 TYR A 705 -14.758 1.861 -17.701 1.00 62.96 C ATOM 180 CE2 TYR A 705 -15.557 -0.283 -16.914 1.00 62.81 C ATOM 181 CZ TYR A 705 -14.573 0.487 -17.523 1.00 63.18 C ATOM 182 OH TYR A 705 -13.406 -0.114 -17.958 1.00 63.67 O ATOM 0 H TYR A 705 -20.415 2.094 -14.792 1.00 61.27 H new ATOM 0 HA TYR A 705 -17.845 1.643 -14.241 1.00 61.56 H new ATOM 0 HB2 TYR A 705 -18.990 1.940 -16.598 1.00 62.03 H new ATOM 0 HB3 TYR A 705 -18.239 3.298 -16.438 1.00 62.03 H new ATOM 0 HD1 TYR A 705 -16.064 3.376 -17.387 1.00 63.09 H new ATOM 0 HD2 TYR A 705 -17.396 -0.185 -16.072 1.00 63.10 H new ATOM 0 HE1 TYR A 705 -14.097 2.373 -18.109 1.00 62.96 H new ATOM 0 HE2 TYR A 705 -15.433 -1.197 -16.797 1.00 62.81 H new ATOM 0 HH TYR A 705 -13.433 -0.936 -17.786 1.00 63.67 H new ATOM 183 N ARG A 706 -17.977 3.596 -12.620 1.00 60.04 N ATOM 184 CA ARG A 706 -17.201 4.571 -11.852 1.00 58.80 C ATOM 185 C ARG A 706 -16.285 3.716 -10.966 1.00 57.23 C ATOM 186 O ARG A 706 -16.178 3.914 -9.755 1.00 57.15 O ATOM 187 CB ARG A 706 -18.108 5.524 -11.048 1.00 59.20 C ATOM 188 CG ARG A 706 -18.507 5.043 -9.652 1.00 60.76 C ATOM 189 CD ARG A 706 -19.752 4.176 -9.671 1.00 62.26 C ATOM 190 NE ARG A 706 -20.942 4.956 -9.344 1.00 64.47 N ATOM 191 CZ ARG A 706 -22.174 4.649 -9.732 1.00 65.71 C ATOM 192 NH1 ARG A 706 -22.383 3.577 -10.486 1.00 66.72 N ATOM 193 NH2 ARG A 706 -23.197 5.419 -9.376 1.00 65.75 N ATOM 0 H ARG A 706 -18.415 3.032 -12.140 1.00 60.04 H new ATOM 0 HA ARG A 706 -16.687 5.168 -12.418 1.00 58.80 H new ATOM 0 HB2 ARG A 706 -17.655 6.377 -10.961 1.00 59.20 H new ATOM 0 HB3 ARG A 706 -18.916 5.683 -11.560 1.00 59.20 H new ATOM 0 HG2 ARG A 706 -17.773 4.542 -9.264 1.00 60.76 H new ATOM 0 HG3 ARG A 706 -18.660 5.811 -9.080 1.00 60.76 H new ATOM 0 HD2 ARG A 706 -19.856 3.774 -10.548 1.00 62.26 H new ATOM 0 HD3 ARG A 706 -19.653 3.450 -9.036 1.00 62.26 H new ATOM 0 HE ARG A 706 -20.838 5.664 -8.867 1.00 64.47 H new ATOM 0 HH11 ARG A 706 -21.721 3.082 -10.723 1.00 66.72 H new ATOM 0 HH12 ARG A 706 -23.181 3.377 -10.738 1.00 66.72 H new ATOM 0 HH21 ARG A 706 -23.062 6.118 -8.893 1.00 65.75 H new ATOM 0 HH22 ARG A 706 -23.994 5.218 -9.628 1.00 65.75 H new ATOM 194 N ARG A 707 -15.621 2.773 -11.631 1.00 54.84 N ATOM 195 CA ARG A 707 -14.962 1.605 -11.036 1.00 52.78 C ATOM 196 C ARG A 707 -14.016 1.800 -9.836 1.00 50.90 C ATOM 197 O ARG A 707 -13.333 2.820 -9.721 1.00 50.71 O ATOM 198 CB ARG A 707 -14.229 0.835 -12.146 1.00 53.30 C ATOM 199 CG ARG A 707 -15.080 0.588 -13.392 1.00 54.59 C ATOM 200 CD ARG A 707 -16.133 -0.507 -13.186 1.00 57.02 C ATOM 201 NE ARG A 707 -15.574 -1.851 -13.306 1.00 58.65 N ATOM 202 CZ ARG A 707 -16.278 -2.980 -13.233 1.00 59.14 C ATOM 203 NH1 ARG A 707 -17.591 -2.954 -13.038 1.00 60.23 N ATOM 204 NH2 ARG A 707 -15.662 -4.148 -13.359 1.00 59.60 N ATOM 0 H ARG A 707 -15.537 2.796 -12.487 1.00 54.84 H new ATOM 0 HA ARG A 707 -15.700 1.120 -10.635 1.00 52.78 H new ATOM 0 HB2 ARG A 707 -13.434 1.330 -12.400 1.00 53.30 H new ATOM 0 HB3 ARG A 707 -13.931 -0.018 -11.794 1.00 53.30 H new ATOM 0 HG2 ARG A 707 -15.523 1.413 -13.645 1.00 54.59 H new ATOM 0 HG3 ARG A 707 -14.501 0.339 -14.130 1.00 54.59 H new ATOM 0 HD2 ARG A 707 -16.535 -0.404 -12.309 1.00 57.02 H new ATOM 0 HD3 ARG A 707 -16.843 -0.396 -13.838 1.00 57.02 H new ATOM 0 HE ARG A 707 -14.726 -1.919 -13.433 1.00 58.65 H new ATOM 0 HH11 ARG A 707 -17.999 -2.201 -12.957 1.00 60.23 H new ATOM 0 HH12 ARG A 707 -18.034 -3.690 -12.993 1.00 60.23 H new ATOM 0 HH21 ARG A 707 -14.812 -4.174 -13.487 1.00 59.60 H new ATOM 0 HH22 ARG A 707 -16.113 -4.879 -13.312 1.00 59.60 H new ATOM 205 N PRO A 708 -13.970 0.798 -8.936 1.00 48.46 N ATOM 206 CA PRO A 708 -13.003 0.773 -7.852 1.00 46.66 C ATOM 207 C PRO A 708 -11.642 0.312 -8.354 1.00 45.31 C ATOM 208 O PRO A 708 -11.568 -0.329 -9.404 1.00 45.04 O ATOM 209 CB PRO A 708 -13.572 -0.296 -6.914 1.00 46.66 C ATOM 210 CG PRO A 708 -14.342 -1.195 -7.799 1.00 47.16 C ATOM 211 CD PRO A 708 -14.865 -0.373 -8.915 1.00 48.63 C ATOM 0 HA PRO A 708 -12.877 1.643 -7.442 1.00 46.66 H new ATOM 0 HB2 PRO A 708 -12.865 -0.774 -6.454 1.00 46.66 H new ATOM 0 HB3 PRO A 708 -14.138 0.098 -6.232 1.00 46.66 H new ATOM 0 HG2 PRO A 708 -13.778 -1.909 -8.135 1.00 47.16 H new ATOM 0 HG3 PRO A 708 -15.069 -1.613 -7.312 1.00 47.16 H new ATOM 0 HD2 PRO A 708 -14.839 -0.856 -9.756 1.00 48.63 H new ATOM 0 HD3 PRO A 708 -15.788 -0.114 -8.765 1.00 48.63 H new ATOM 212 N VAL A 709 -10.583 0.587 -7.597 1.00 43.44 N ATOM 213 CA VAL A 709 -9.269 0.031 -7.943 1.00 42.32 C ATOM 214 C VAL A 709 -9.152 -1.488 -7.654 1.00 41.01 C ATOM 215 O VAL A 709 -9.321 -1.962 -6.513 1.00 40.36 O ATOM 216 CB VAL A 709 -8.012 0.936 -7.490 1.00 43.03 C ATOM 217 CG1 VAL A 709 -8.410 2.134 -6.630 1.00 44.12 C ATOM 218 CG2 VAL A 709 -6.878 0.128 -6.860 1.00 41.19 C ATOM 0 H VAL A 709 -10.598 1.082 -6.894 1.00 43.44 H new ATOM 0 HA VAL A 709 -9.213 0.086 -8.910 1.00 42.32 H new ATOM 0 HB VAL A 709 -7.658 1.299 -8.317 1.00 43.03 H new ATOM 0 HG11 VAL A 709 -7.617 2.638 -6.390 1.00 44.12 H new ATOM 0 HG12 VAL A 709 -9.016 2.704 -7.129 1.00 44.12 H new ATOM 0 HG13 VAL A 709 -8.851 1.822 -5.824 1.00 44.12 H new ATOM 0 HG21 VAL A 709 -6.155 0.725 -6.610 1.00 41.19 H new ATOM 0 HG22 VAL A 709 -7.206 -0.330 -6.070 1.00 41.19 H new ATOM 0 HG23 VAL A 709 -6.551 -0.524 -7.499 1.00 41.19 H new ATOM 219 N GLY A 710 -8.882 -2.237 -8.723 1.00 39.19 N ATOM 220 CA GLY A 710 -8.806 -3.690 -8.668 1.00 36.97 C ATOM 221 C GLY A 710 -7.882 -4.230 -7.592 1.00 35.16 C ATOM 222 O GLY A 710 -8.181 -5.238 -6.962 1.00 34.76 O ATOM 0 H GLY A 710 -8.737 -1.910 -9.505 1.00 39.19 H new ATOM 0 HA2 GLY A 710 -9.697 -4.044 -8.521 1.00 36.97 H new ATOM 0 HA3 GLY A 710 -8.508 -4.020 -9.530 1.00 36.97 H new ATOM 223 N ILE A 711 -6.769 -3.566 -7.346 1.00 34.30 N ATOM 224 CA ILE A 711 -5.828 -4.100 -6.380 1.00 34.81 C ATOM 225 C ILE A 711 -6.086 -3.721 -4.903 1.00 33.52 C ATOM 226 O ILE A 711 -5.393 -4.200 -4.011 1.00 33.75 O ATOM 227 CB ILE A 711 -4.334 -3.873 -6.829 1.00 36.03 C ATOM 228 CG1 ILE A 711 -3.915 -2.420 -6.625 1.00 39.00 C ATOM 229 CG2 ILE A 711 -4.154 -4.361 -8.289 1.00 37.52 C ATOM 230 CD1 ILE A 711 -2.401 -2.252 -6.436 1.00 40.34 C ATOM 0 H ILE A 711 -6.542 -2.824 -7.716 1.00 34.30 H new ATOM 0 HA ILE A 711 -5.995 -5.056 -6.385 1.00 34.81 H new ATOM 0 HB ILE A 711 -3.740 -4.399 -6.271 1.00 36.03 H new ATOM 0 HG12 ILE A 711 -4.200 -1.896 -7.390 1.00 39.00 H new ATOM 0 HG13 ILE A 711 -4.374 -2.062 -5.849 1.00 39.00 H new ATOM 0 HG21 ILE A 711 -3.235 -4.222 -8.566 1.00 37.52 H new ATOM 0 HG22 ILE A 711 -4.368 -5.306 -8.343 1.00 37.52 H new ATOM 0 HG23 ILE A 711 -4.746 -3.862 -8.873 1.00 37.52 H new ATOM 0 HD11 ILE A 711 -2.193 -1.313 -6.311 1.00 40.34 H new ATOM 0 HD12 ILE A 711 -2.114 -2.753 -5.656 1.00 40.34 H new ATOM 0 HD13 ILE A 711 -1.938 -2.584 -7.221 1.00 40.34 H new ATOM 231 N SER A 712 -7.074 -2.858 -4.659 1.00 31.69 N ATOM 232 CA SER A 712 -7.497 -2.513 -3.304 1.00 30.89 C ATOM 233 C SER A 712 -8.286 -3.656 -2.688 1.00 27.79 C ATOM 234 O SER A 712 -8.983 -4.356 -3.407 1.00 26.57 O ATOM 235 CB SER A 712 -8.407 -1.274 -3.285 1.00 30.86 C ATOM 236 OG SER A 712 -7.671 -0.096 -3.584 1.00 37.69 O ATOM 0 H SER A 712 -7.517 -2.457 -5.277 1.00 31.69 H new ATOM 0 HA SER A 712 -6.687 -2.333 -2.801 1.00 30.89 H new ATOM 0 HB2 SER A 712 -9.123 -1.385 -3.930 1.00 30.86 H new ATOM 0 HB3 SER A 712 -8.822 -1.187 -2.413 1.00 30.86 H new ATOM 0 HG SER A 712 -8.186 0.568 -3.570 1.00 37.69 H new ATOM 237 N SER A 713 -8.147 -3.828 -1.378 1.00 26.91 N ATOM 238 CA SER A 713 -9.075 -4.660 -0.609 1.00 26.06 C ATOM 239 C SER A 713 -10.491 -4.079 -0.757 1.00 26.02 C ATOM 240 O SER A 713 -10.690 -2.872 -1.025 1.00 25.47 O ATOM 241 CB SER A 713 -8.638 -4.791 0.873 1.00 26.17 C ATOM 242 OG SER A 713 -8.769 -3.537 1.598 1.00 28.34 O ATOM 0 H SER A 713 -7.519 -3.471 -0.911 1.00 26.91 H new ATOM 0 HA SER A 713 -9.069 -5.564 -0.960 1.00 26.06 H new ATOM 0 HB2 SER A 713 -9.175 -5.472 1.308 1.00 26.17 H new ATOM 0 HB3 SER A 713 -7.716 -5.090 0.911 1.00 26.17 H new ATOM 0 HG SER A 713 -8.457 -3.627 2.373 1.00 28.34 H new HETATM 243 N MSE A 714 -11.490 -4.932 -0.562 1.00 23.64 N HETATM 244 CA MSE A 714 -12.902 -4.529 -0.648 1.00 24.33 C HETATM 245 C MSE A 714 -13.179 -3.399 0.323 1.00 22.84 C HETATM 246 O MSE A 714 -13.696 -2.394 -0.101 1.00 22.23 O HETATM 247 CB MSE A 714 -13.783 -5.748 -0.380 1.00 23.61 C HETATM 248 CG MSE A 714 -13.661 -6.770 -1.493 1.00 20.65 C HETATM 249 SE MSE A 714 -14.853 -8.274 -0.970 1.00 31.68 SE HETATM 250 CE MSE A 714 -16.547 -7.437 -1.247 1.00 27.25 C HETATM 0 H MSE A 714 -11.374 -5.764 -0.375 1.00 23.64 H new HETATM 0 HA MSE A 714 -13.106 -4.198 -1.537 1.00 24.33 H new HETATM 0 HB2 MSE A 714 -13.530 -6.154 0.464 1.00 23.61 H new HETATM 0 HB3 MSE A 714 -14.708 -5.469 -0.294 1.00 23.61 H new HETATM 0 HG2 MSE A 714 -13.930 -6.392 -2.345 1.00 20.65 H new HETATM 0 HG3 MSE A 714 -12.744 -7.070 -1.592 1.00 20.65 H new HETATM 0 HE1 MSE A 714 -17.256 -8.062 -1.029 1.00 27.25 H new HETATM 0 HE2 MSE A 714 -16.619 -6.655 -0.678 1.00 27.25 H new HETATM 0 HE3 MSE A 714 -16.628 -7.169 -2.176 1.00 27.25 H new ATOM 251 N VAL A 715 -12.757 -3.537 1.580 1.00 21.91 N ATOM 252 CA VAL A 715 -13.044 -2.539 2.622 1.00 22.50 C ATOM 253 C VAL A 715 -12.289 -1.218 2.292 1.00 23.31 C ATOM 254 O VAL A 715 -12.834 -0.115 2.466 1.00 23.19 O ATOM 255 CB VAL A 715 -12.704 -3.042 4.043 1.00 22.70 C ATOM 256 CG1 VAL A 715 -11.223 -3.325 4.200 1.00 23.42 C ATOM 257 CG2 VAL A 715 -13.176 -2.056 5.107 1.00 24.03 C ATOM 0 H VAL A 715 -12.297 -4.209 1.856 1.00 21.91 H new ATOM 0 HA VAL A 715 -14.000 -2.374 2.623 1.00 22.50 H new ATOM 0 HB VAL A 715 -13.180 -3.878 4.169 1.00 22.70 H new ATOM 0 HG11 VAL A 715 -11.047 -3.638 5.101 1.00 23.42 H new ATOM 0 HG12 VAL A 715 -10.954 -4.006 3.564 1.00 23.42 H new ATOM 0 HG13 VAL A 715 -10.719 -2.513 4.036 1.00 23.42 H new ATOM 0 HG21 VAL A 715 -12.950 -2.396 5.987 1.00 24.03 H new ATOM 0 HG22 VAL A 715 -12.741 -1.200 4.971 1.00 24.03 H new ATOM 0 HG23 VAL A 715 -14.137 -1.944 5.041 1.00 24.03 H new ATOM 258 N GLU A 716 -11.050 -1.308 1.815 1.00 23.32 N ATOM 259 CA GLU A 716 -10.413 -0.055 1.454 1.00 26.13 C ATOM 260 C GLU A 716 -11.099 0.748 0.350 1.00 24.41 C ATOM 261 O GLU A 716 -11.239 1.969 0.491 1.00 24.20 O ATOM 262 CB GLU A 716 -8.887 -0.182 1.261 1.00 25.92 C ATOM 263 CG GLU A 716 -8.320 -0.986 0.150 1.00 31.26 C ATOM 264 CD GLU A 716 -6.788 -1.065 0.297 1.00 32.93 C ATOM 265 OE1 GLU A 716 -6.269 -2.209 0.436 1.00 40.96 O ATOM 266 OE2 GLU A 716 -6.152 0.025 0.331 1.00 39.74 O ATOM 0 H GLU A 716 -10.593 -2.027 1.700 1.00 23.32 H new ATOM 0 HA GLU A 716 -10.545 0.497 2.241 1.00 26.13 H new ATOM 0 HB2 GLU A 716 -8.537 0.718 1.168 1.00 25.92 H new ATOM 0 HB3 GLU A 716 -8.526 -0.543 2.086 1.00 25.92 H new ATOM 0 HG2 GLU A 716 -8.701 -1.878 0.157 1.00 31.26 H new ATOM 0 HG3 GLU A 716 -8.552 -0.585 -0.702 1.00 31.26 H new ATOM 267 N ALA A 717 -11.595 0.057 -0.693 1.00 23.98 N ATOM 268 CA ALA A 717 -12.382 0.654 -1.748 1.00 23.52 C ATOM 269 C ALA A 717 -13.654 1.281 -1.242 1.00 22.65 C ATOM 270 O ALA A 717 -13.969 2.414 -1.617 1.00 22.90 O ATOM 271 CB ALA A 717 -12.731 -0.388 -2.817 1.00 23.87 C ATOM 0 H ALA A 717 -11.472 -0.788 -0.794 1.00 23.98 H new ATOM 0 HA ALA A 717 -11.834 1.357 -2.131 1.00 23.52 H new ATOM 0 HB1 ALA A 717 -13.258 0.029 -3.516 1.00 23.87 H new ATOM 0 HB2 ALA A 717 -11.914 -0.746 -3.199 1.00 23.87 H new ATOM 0 HB3 ALA A 717 -13.241 -1.107 -2.413 1.00 23.87 H new HETATM 272 N MSE A 718 -14.375 0.533 -0.401 1.00 21.84 N HETATM 273 CA MSE A 718 -15.621 1.023 0.104 1.00 22.16 C HETATM 274 C MSE A 718 -15.464 2.210 0.999 1.00 20.50 C HETATM 275 O MSE A 718 -16.176 3.181 0.844 1.00 19.98 O HETATM 276 CB MSE A 718 -16.381 -0.112 0.790 1.00 21.26 C HETATM 277 CG MSE A 718 -16.536 -1.347 -0.156 1.00 20.20 C HETATM 278 SE MSE A 718 -16.771 -3.010 0.940 1.00 34.67 SE HETATM 279 CE MSE A 718 -18.308 -2.429 0.921 1.00 10.24 C HETATM 0 H MSE A 718 -14.150 -0.249 -0.123 1.00 21.84 H new HETATM 0 HA MSE A 718 -16.141 1.339 -0.651 1.00 22.16 H new HETATM 0 HB2 MSE A 718 -15.912 -0.377 1.596 1.00 21.26 H new HETATM 0 HB3 MSE A 718 -17.258 0.201 1.062 1.00 21.26 H new HETATM 0 HG2 MSE A 718 -17.300 -1.224 -0.741 1.00 20.20 H new HETATM 0 HG3 MSE A 718 -15.754 -1.431 -0.724 1.00 20.20 H new HETATM 0 HE1 MSE A 718 -18.885 -3.024 1.424 1.00 10.24 H new HETATM 0 HE2 MSE A 718 -18.325 -1.546 1.323 1.00 10.24 H new HETATM 0 HE3 MSE A 718 -18.622 -2.373 0.005 1.00 10.24 H new ATOM 280 N VAL A 719 -14.448 2.200 1.857 1.00 20.51 N ATOM 281 CA VAL A 719 -14.255 3.346 2.735 1.00 21.38 C ATOM 282 C VAL A 719 -13.832 4.586 1.933 1.00 21.54 C ATOM 283 O VAL A 719 -14.269 5.703 2.228 1.00 21.39 O ATOM 284 CB VAL A 719 -13.222 3.032 3.796 1.00 20.50 C ATOM 285 CG1 VAL A 719 -12.779 4.343 4.544 1.00 25.34 C ATOM 286 CG2 VAL A 719 -13.820 1.996 4.807 1.00 21.95 C ATOM 0 H VAL A 719 -13.878 1.562 1.945 1.00 20.51 H new ATOM 0 HA VAL A 719 -15.101 3.538 3.170 1.00 21.38 H new ATOM 0 HB VAL A 719 -12.436 2.651 3.374 1.00 20.50 H new ATOM 0 HG11 VAL A 719 -12.118 4.123 5.219 1.00 25.34 H new ATOM 0 HG12 VAL A 719 -12.395 4.965 3.907 1.00 25.34 H new ATOM 0 HG13 VAL A 719 -13.550 4.750 4.968 1.00 25.34 H new ATOM 0 HG21 VAL A 719 -13.161 1.792 5.489 1.00 21.95 H new ATOM 0 HG22 VAL A 719 -14.611 2.371 5.224 1.00 21.95 H new ATOM 0 HG23 VAL A 719 -14.058 1.183 4.335 1.00 21.95 H new ATOM 287 N SER A 720 -12.934 4.407 0.966 1.00 22.70 N ATOM 288 CA SER A 720 -12.546 5.517 0.103 1.00 22.72 C ATOM 289 C SER A 720 -13.742 6.134 -0.604 1.00 22.24 C ATOM 290 O SER A 720 -13.939 7.354 -0.553 1.00 23.03 O ATOM 291 CB SER A 720 -11.498 5.069 -0.912 1.00 23.51 C ATOM 292 OG SER A 720 -11.214 6.189 -1.730 1.00 30.24 O ATOM 0 H SER A 720 -12.543 3.660 0.795 1.00 22.70 H new ATOM 0 HA SER A 720 -12.160 6.202 0.671 1.00 22.72 H new ATOM 0 HB2 SER A 720 -10.696 4.758 -0.464 1.00 23.51 H new ATOM 0 HB3 SER A 720 -11.830 4.329 -1.445 1.00 23.51 H new ATOM 0 HG SER A 720 -11.221 6.887 -1.262 1.00 30.24 H new ATOM 293 N ARG A 721 -14.547 5.293 -1.228 1.00 22.43 N ATOM 294 CA ARG A 721 -15.793 5.755 -1.874 1.00 21.30 C ATOM 295 C ARG A 721 -16.806 6.461 -0.921 1.00 20.74 C ATOM 296 O ARG A 721 -17.351 7.524 -1.234 1.00 18.82 O ATOM 297 CB ARG A 721 -16.416 4.599 -2.642 1.00 23.57 C ATOM 298 CG ARG A 721 -17.709 4.968 -3.385 1.00 24.39 C ATOM 299 CD ARG A 721 -17.340 6.074 -4.418 1.00 31.42 C ATOM 300 NE ARG A 721 -18.439 6.597 -5.222 1.00 37.09 N ATOM 301 CZ ARG A 721 -18.934 6.025 -6.321 1.00 39.97 C ATOM 302 NH1 ARG A 721 -18.448 4.863 -6.756 1.00 40.51 N ATOM 303 NH2 ARG A 721 -19.924 6.614 -6.984 1.00 39.39 N ATOM 0 H ARG A 721 -14.402 4.448 -1.296 1.00 22.43 H new ATOM 0 HA ARG A 721 -15.547 6.461 -2.493 1.00 21.30 H new ATOM 0 HB2 ARG A 721 -15.770 4.263 -3.283 1.00 23.57 H new ATOM 0 HB3 ARG A 721 -16.604 3.876 -2.023 1.00 23.57 H new ATOM 0 HG2 ARG A 721 -18.082 4.192 -3.832 1.00 24.39 H new ATOM 0 HG3 ARG A 721 -18.382 5.289 -2.764 1.00 24.39 H new ATOM 0 HD2 ARG A 721 -16.933 6.814 -3.940 1.00 31.42 H new ATOM 0 HD3 ARG A 721 -16.666 5.718 -5.018 1.00 31.42 H new ATOM 0 HE ARG A 721 -18.798 7.336 -4.966 1.00 37.09 H new ATOM 0 HH11 ARG A 721 -17.811 4.476 -6.328 1.00 40.51 H new ATOM 0 HH12 ARG A 721 -18.772 4.500 -7.465 1.00 40.51 H new ATOM 0 HH21 ARG A 721 -20.244 7.362 -6.704 1.00 39.39 H new ATOM 0 HH22 ARG A 721 -20.245 6.247 -7.693 1.00 39.39 H new ATOM 304 N ALA A 722 -16.983 5.893 0.288 1.00 20.38 N ATOM 305 CA ALA A 722 -17.867 6.447 1.298 1.00 20.28 C ATOM 306 C ALA A 722 -17.467 7.867 1.630 1.00 20.32 C ATOM 307 O ALA A 722 -18.297 8.765 1.697 1.00 17.94 O ATOM 308 CB ALA A 722 -17.826 5.619 2.522 1.00 18.82 C ATOM 0 H ALA A 722 -16.585 5.171 0.533 1.00 20.38 H new ATOM 0 HA ALA A 722 -18.771 6.450 0.945 1.00 20.28 H new ATOM 0 HB1 ALA A 722 -18.419 5.998 3.189 1.00 18.82 H new ATOM 0 HB2 ALA A 722 -18.111 4.716 2.312 1.00 18.82 H new ATOM 0 HB3 ALA A 722 -16.921 5.599 2.869 1.00 18.82 H new ATOM 309 N ARG A 723 -16.162 8.082 1.788 1.00 20.65 N ATOM 310 CA ARG A 723 -15.653 9.428 2.134 1.00 21.75 C ATOM 311 C ARG A 723 -15.872 10.434 1.004 1.00 20.94 C ATOM 312 O ARG A 723 -16.333 11.549 1.271 1.00 20.38 O ATOM 313 CB ARG A 723 -14.155 9.362 2.478 1.00 21.00 C ATOM 314 CG ARG A 723 -13.959 8.709 3.842 1.00 20.39 C ATOM 315 CD ARG A 723 -12.483 8.467 4.136 1.00 25.26 C ATOM 316 NE ARG A 723 -12.309 8.234 5.558 1.00 23.68 N ATOM 317 CZ ARG A 723 -11.272 7.597 6.090 1.00 23.86 C ATOM 318 NH1 ARG A 723 -10.325 7.067 5.312 1.00 25.41 N ATOM 319 NH2 ARG A 723 -11.191 7.469 7.410 1.00 28.97 N ATOM 0 H ARG A 723 -15.556 7.478 1.703 1.00 20.65 H new ATOM 0 HA ARG A 723 -16.155 9.731 2.907 1.00 21.75 H new ATOM 0 HB2 ARG A 723 -13.682 8.857 1.799 1.00 21.00 H new ATOM 0 HB3 ARG A 723 -13.777 10.255 2.482 1.00 21.00 H new ATOM 0 HG2 ARG A 723 -14.339 9.276 4.531 1.00 20.39 H new ATOM 0 HG3 ARG A 723 -14.439 7.866 3.871 1.00 20.39 H new ATOM 0 HD2 ARG A 723 -12.163 7.703 3.631 1.00 25.26 H new ATOM 0 HD3 ARG A 723 -11.957 9.233 3.856 1.00 25.26 H new ATOM 0 HE ARG A 723 -12.917 8.528 6.091 1.00 23.68 H new ATOM 0 HH11 ARG A 723 -10.383 7.136 4.457 1.00 25.41 H new ATOM 0 HH12 ARG A 723 -9.657 6.656 5.666 1.00 25.41 H new ATOM 0 HH21 ARG A 723 -11.807 7.797 7.912 1.00 28.97 H new ATOM 0 HH22 ARG A 723 -10.523 7.058 7.762 1.00 28.97 H new ATOM 320 N ILE A 724 -15.526 10.048 -0.221 1.00 22.43 N ATOM 321 CA ILE A 724 -15.694 10.950 -1.377 1.00 21.10 C ATOM 322 C ILE A 724 -17.196 11.308 -1.520 1.00 21.72 C ATOM 323 O ILE A 724 -17.544 12.489 -1.659 1.00 21.00 O ATOM 324 CB ILE A 724 -15.248 10.306 -2.651 1.00 23.56 C ATOM 325 CG1 ILE A 724 -13.743 10.048 -2.600 1.00 23.06 C ATOM 326 CG2 ILE A 724 -15.627 11.168 -3.879 1.00 23.53 C ATOM 327 CD1 ILE A 724 -13.315 9.069 -3.688 1.00 27.02 C ATOM 0 H ILE A 724 -15.195 9.277 -0.411 1.00 22.43 H new ATOM 0 HA ILE A 724 -15.152 11.739 -1.220 1.00 21.10 H new ATOM 0 HB ILE A 724 -15.707 9.457 -2.746 1.00 23.56 H new ATOM 0 HG12 ILE A 724 -13.265 10.885 -2.708 1.00 23.06 H new ATOM 0 HG13 ILE A 724 -13.502 9.694 -1.730 1.00 23.06 H new ATOM 0 HG21 ILE A 724 -15.326 10.727 -4.689 1.00 23.53 H new ATOM 0 HG22 ILE A 724 -16.590 11.280 -3.911 1.00 23.53 H new ATOM 0 HG23 ILE A 724 -15.203 12.037 -3.808 1.00 23.53 H new ATOM 0 HD11 ILE A 724 -12.358 8.923 -3.634 1.00 27.02 H new ATOM 0 HD12 ILE A 724 -13.778 8.226 -3.565 1.00 27.02 H new ATOM 0 HD13 ILE A 724 -13.537 9.435 -4.558 1.00 27.02 H new ATOM 328 N ASP A 725 -18.068 10.314 -1.423 1.00 22.24 N ATOM 329 CA ASP A 725 -19.507 10.550 -1.585 1.00 23.02 C ATOM 330 C ASP A 725 -20.062 11.406 -0.450 1.00 22.47 C ATOM 331 O ASP A 725 -20.832 12.308 -0.671 1.00 21.55 O ATOM 332 CB ASP A 725 -20.350 9.263 -1.687 1.00 23.79 C ATOM 333 CG ASP A 725 -20.072 8.455 -2.949 1.00 25.20 C ATOM 334 OD1 ASP A 725 -19.536 8.981 -3.989 1.00 28.04 O ATOM 335 OD2 ASP A 725 -20.394 7.261 -2.915 1.00 26.34 O ATOM 0 H ASP A 725 -17.854 9.496 -1.265 1.00 22.24 H new ATOM 0 HA ASP A 725 -19.583 11.017 -2.432 1.00 23.02 H new ATOM 0 HB2 ASP A 725 -20.176 8.708 -0.911 1.00 23.79 H new ATOM 0 HB3 ASP A 725 -21.291 9.498 -1.662 1.00 23.79 H new ATOM 336 N ALA A 726 -19.632 11.168 0.775 1.00 22.64 N ATOM 337 CA ALA A 726 -20.143 11.936 1.893 1.00 20.79 C ATOM 338 C ALA A 726 -19.779 13.429 1.767 1.00 21.18 C ATOM 339 O ALA A 726 -20.605 14.302 2.014 1.00 19.45 O ATOM 340 CB ALA A 726 -19.680 11.349 3.175 1.00 22.80 C ATOM 0 H ALA A 726 -19.049 10.571 0.980 1.00 22.64 H new ATOM 0 HA ALA A 726 -21.112 11.890 1.881 1.00 20.79 H new ATOM 0 HB1 ALA A 726 -20.028 11.871 3.915 1.00 22.80 H new ATOM 0 HB2 ALA A 726 -19.998 10.436 3.247 1.00 22.80 H new ATOM 0 HB3 ALA A 726 -18.710 11.356 3.203 1.00 22.80 H new ATOM 341 N ARG A 727 -18.555 13.756 1.336 1.00 21.44 N ATOM 342 CA ARG A 727 -18.229 15.176 1.177 1.00 23.97 C ATOM 343 C ARG A 727 -19.084 15.845 0.094 1.00 23.36 C ATOM 344 O ARG A 727 -19.595 16.969 0.294 1.00 24.32 O ATOM 345 CB ARG A 727 -16.732 15.311 0.855 1.00 24.69 C ATOM 346 CG ARG A 727 -15.853 14.915 2.058 1.00 29.13 C ATOM 347 CD ARG A 727 -14.407 15.202 1.776 1.00 37.73 C ATOM 348 NE ARG A 727 -13.996 14.384 0.673 1.00 44.29 N ATOM 349 CZ ARG A 727 -12.875 14.540 -0.002 1.00 48.41 C ATOM 350 NH1 ARG A 727 -12.025 15.498 0.348 1.00 49.88 N ATOM 351 NH2 ARG A 727 -12.611 13.719 -1.012 1.00 47.37 N ATOM 0 H ARG A 727 -17.928 13.201 1.139 1.00 21.44 H new ATOM 0 HA ARG A 727 -18.429 15.634 2.008 1.00 23.97 H new ATOM 0 HB2 ARG A 727 -16.512 14.750 0.095 1.00 24.69 H new ATOM 0 HB3 ARG A 727 -16.537 16.226 0.598 1.00 24.69 H new ATOM 0 HG2 ARG A 727 -16.137 15.404 2.846 1.00 29.13 H new ATOM 0 HG3 ARG A 727 -15.968 13.972 2.252 1.00 29.13 H new ATOM 0 HD2 ARG A 727 -14.283 16.141 1.566 1.00 37.73 H new ATOM 0 HD3 ARG A 727 -13.866 15.013 2.558 1.00 37.73 H new ATOM 0 HE ARG A 727 -14.519 13.745 0.434 1.00 44.29 H new ATOM 0 HH11 ARG A 727 -12.207 16.013 1.012 1.00 49.88 H new ATOM 0 HH12 ARG A 727 -11.292 15.604 -0.090 1.00 49.88 H new ATOM 0 HH21 ARG A 727 -13.168 13.097 -1.217 1.00 47.37 H new ATOM 0 HH22 ARG A 727 -11.883 13.810 -1.461 1.00 47.37 H new ATOM 352 N ILE A 728 -19.260 15.154 -1.020 1.00 22.87 N ATOM 353 CA ILE A 728 -19.982 15.714 -2.203 1.00 23.51 C ATOM 354 C ILE A 728 -21.445 15.823 -1.789 1.00 23.39 C ATOM 355 O ILE A 728 -22.104 16.821 -2.076 1.00 24.46 O ATOM 356 CB ILE A 728 -19.863 14.836 -3.462 1.00 24.73 C ATOM 357 CG1 ILE A 728 -18.448 14.933 -4.036 1.00 29.01 C ATOM 358 CG2 ILE A 728 -20.945 15.237 -4.544 1.00 25.66 C ATOM 359 CD1 ILE A 728 -18.053 13.753 -4.969 1.00 33.60 C ATOM 0 H ILE A 728 -18.974 14.351 -1.132 1.00 22.87 H new ATOM 0 HA ILE A 728 -19.591 16.569 -2.443 1.00 23.51 H new ATOM 0 HB ILE A 728 -20.033 13.914 -3.211 1.00 24.73 H new ATOM 0 HG12 ILE A 728 -18.367 15.763 -4.531 1.00 29.01 H new ATOM 0 HG13 ILE A 728 -17.815 14.977 -3.302 1.00 29.01 H new ATOM 0 HG21 ILE A 728 -20.848 14.670 -5.325 1.00 25.66 H new ATOM 0 HG22 ILE A 728 -21.833 15.124 -4.171 1.00 25.66 H new ATOM 0 HG23 ILE A 728 -20.818 16.164 -4.801 1.00 25.66 H new ATOM 0 HD11 ILE A 728 -17.148 13.884 -5.292 1.00 33.60 H new ATOM 0 HD12 ILE A 728 -18.102 12.919 -4.475 1.00 33.60 H new ATOM 0 HD13 ILE A 728 -18.663 13.718 -5.723 1.00 33.60 H new ATOM 360 N ASP A 729 -21.933 14.798 -1.113 1.00 22.79 N ATOM 361 CA ASP A 729 -23.355 14.772 -0.757 1.00 22.94 C ATOM 362 C ASP A 729 -23.719 15.778 0.313 1.00 24.19 C ATOM 363 O ASP A 729 -24.831 16.360 0.288 1.00 23.82 O ATOM 364 CB ASP A 729 -23.776 13.359 -0.337 1.00 23.03 C ATOM 365 CG ASP A 729 -23.835 12.382 -1.509 1.00 24.77 C ATOM 366 OD1 ASP A 729 -23.811 12.808 -2.684 1.00 28.52 O ATOM 367 OD2 ASP A 729 -23.820 11.163 -1.274 1.00 26.69 O ATOM 0 H ASP A 729 -21.476 14.118 -0.852 1.00 22.79 H new ATOM 0 HA ASP A 729 -23.845 15.030 -1.553 1.00 22.94 H new ATOM 0 HB2 ASP A 729 -23.152 13.024 0.326 1.00 23.03 H new ATOM 0 HB3 ASP A 729 -24.647 13.399 0.088 1.00 23.03 H new ATOM 368 N PHE A 730 -22.788 16.042 1.241 1.00 21.91 N ATOM 369 CA PHE A 730 -22.959 17.039 2.265 1.00 22.76 C ATOM 370 C PHE A 730 -22.936 18.441 1.615 1.00 24.60 C ATOM 371 O PHE A 730 -23.833 19.287 1.857 1.00 24.92 O ATOM 372 CB PHE A 730 -21.880 16.857 3.350 1.00 23.81 C ATOM 373 CG PHE A 730 -21.980 17.846 4.456 1.00 24.89 C ATOM 374 CD1 PHE A 730 -23.223 18.143 5.022 1.00 25.70 C ATOM 375 CD2 PHE A 730 -20.874 18.451 4.947 1.00 21.78 C ATOM 376 CE1 PHE A 730 -23.317 19.064 6.056 1.00 26.83 C ATOM 377 CE2 PHE A 730 -20.947 19.379 5.982 1.00 23.52 C ATOM 378 CZ PHE A 730 -22.178 19.666 6.547 1.00 23.08 C ATOM 0 H PHE A 730 -22.033 15.632 1.280 1.00 21.91 H new ATOM 0 HA PHE A 730 -23.817 16.940 2.706 1.00 22.76 H new ATOM 0 HB2 PHE A 730 -21.949 15.962 3.718 1.00 23.81 H new ATOM 0 HB3 PHE A 730 -21.004 16.928 2.940 1.00 23.81 H new ATOM 0 HD1 PHE A 730 -23.989 17.722 4.705 1.00 25.70 H new ATOM 0 HD2 PHE A 730 -20.044 18.242 4.584 1.00 21.78 H new ATOM 0 HE1 PHE A 730 -24.148 19.275 6.417 1.00 26.83 H new ATOM 0 HE2 PHE A 730 -20.178 19.801 6.290 1.00 23.52 H new ATOM 0 HZ PHE A 730 -22.236 20.264 7.257 1.00 23.08 H new ATOM 379 N GLU A 731 -21.930 18.660 0.761 1.00 26.80 N ATOM 380 CA GLU A 731 -21.860 19.879 -0.066 1.00 28.38 C ATOM 381 C GLU A 731 -23.189 20.148 -0.823 1.00 27.69 C ATOM 382 O GLU A 731 -23.629 21.309 -0.938 1.00 27.78 O ATOM 383 CB GLU A 731 -20.690 19.718 -1.049 1.00 28.41 C ATOM 384 CG GLU A 731 -20.493 20.798 -2.099 1.00 30.41 C ATOM 385 CD GLU A 731 -19.470 20.331 -3.117 1.00 29.51 C ATOM 386 OE1 GLU A 731 -19.718 20.418 -4.323 1.00 37.03 O ATOM 387 OE2 GLU A 731 -18.438 19.804 -2.699 1.00 36.49 O ATOM 0 H GLU A 731 -21.275 18.115 0.643 1.00 26.80 H new ATOM 0 HA GLU A 731 -21.716 20.648 0.508 1.00 28.38 H new ATOM 0 HB2 GLU A 731 -19.872 19.653 -0.531 1.00 28.41 H new ATOM 0 HB3 GLU A 731 -20.802 18.872 -1.509 1.00 28.41 H new ATOM 0 HG2 GLU A 731 -21.335 20.993 -2.538 1.00 30.41 H new ATOM 0 HG3 GLU A 731 -20.195 21.620 -1.680 1.00 30.41 H new ATOM 388 N SER A 732 -23.805 19.095 -1.340 1.00 29.13 N ATOM 389 CA SER A 732 -24.957 19.219 -2.263 1.00 31.76 C ATOM 390 C SER A 732 -26.302 19.302 -1.536 1.00 32.84 C ATOM 391 O SER A 732 -27.335 19.590 -2.156 1.00 34.22 O ATOM 392 CB SER A 732 -24.958 18.081 -3.270 1.00 32.21 C ATOM 393 OG SER A 732 -25.458 16.905 -2.694 1.00 36.69 O ATOM 0 H SER A 732 -23.577 18.283 -1.173 1.00 29.13 H new ATOM 0 HA SER A 732 -24.847 20.060 -2.733 1.00 31.76 H new ATOM 0 HB2 SER A 732 -25.498 18.324 -4.038 1.00 32.21 H new ATOM 0 HB3 SER A 732 -24.056 17.929 -3.593 1.00 32.21 H new ATOM 0 HG SER A 732 -25.201 16.853 -1.896 1.00 36.69 H new ATOM 394 N GLY A 733 -26.271 19.046 -0.235 1.00 32.86 N ATOM 395 CA GLY A 733 -27.461 19.110 0.619 1.00 33.28 C ATOM 396 C GLY A 733 -28.221 17.807 0.766 1.00 33.39 C ATOM 397 O GLY A 733 -29.206 17.781 1.490 1.00 35.17 O ATOM 0 H GLY A 733 -25.554 18.828 0.186 1.00 32.86 H new ATOM 0 HA2 GLY A 733 -27.193 19.413 1.501 1.00 33.28 H new ATOM 0 HA3 GLY A 733 -28.063 19.780 0.260 1.00 33.28 H new ATOM 398 N ARG A 734 -27.762 16.744 0.113 1.00 32.05 N ATOM 399 CA ARG A 734 -28.400 15.409 0.145 1.00 32.16 C ATOM 400 C ARG A 734 -28.313 14.738 1.530 1.00 32.01 C ATOM 401 O ARG A 734 -29.157 13.889 1.891 1.00 31.33 O ATOM 402 CB ARG A 734 -27.768 14.468 -0.873 1.00 31.86 C ATOM 403 CG ARG A 734 -27.962 14.800 -2.345 1.00 35.21 C ATOM 404 CD ARG A 734 -27.596 13.619 -3.229 1.00 34.21 C ATOM 405 NE ARG A 734 -28.763 12.962 -3.864 1.00 46.87 N ATOM 406 CZ ARG A 734 -29.249 11.780 -3.511 1.00 46.08 C ATOM 407 NH1 ARG A 734 -28.680 11.092 -2.533 1.00 49.87 N ATOM 408 NH2 ARG A 734 -30.288 11.271 -4.145 1.00 45.68 N ATOM 0 H ARG A 734 -27.055 16.770 -0.375 1.00 32.05 H new ATOM 0 HA ARG A 734 -29.333 15.565 -0.071 1.00 32.16 H new ATOM 0 HB2 ARG A 734 -26.815 14.431 -0.697 1.00 31.86 H new ATOM 0 HB3 ARG A 734 -28.120 13.577 -0.717 1.00 31.86 H new ATOM 0 HG2 ARG A 734 -28.885 15.052 -2.503 1.00 35.21 H new ATOM 0 HG3 ARG A 734 -27.415 15.565 -2.581 1.00 35.21 H new ATOM 0 HD2 ARG A 734 -26.989 13.921 -3.922 1.00 34.21 H new ATOM 0 HD3 ARG A 734 -27.117 12.964 -2.697 1.00 34.21 H new ATOM 0 HE ARG A 734 -29.153 13.378 -4.508 1.00 46.87 H new ATOM 0 HH11 ARG A 734 -27.994 11.412 -2.125 1.00 49.87 H new ATOM 0 HH12 ARG A 734 -28.997 10.326 -2.306 1.00 49.87 H new ATOM 0 HH21 ARG A 734 -30.653 11.706 -4.791 1.00 45.68 H new ATOM 0 HH22 ARG A 734 -30.600 10.504 -3.913 1.00 45.68 H new ATOM 409 N ILE A 735 -27.259 15.064 2.273 1.00 30.34 N ATOM 410 CA ILE A 735 -27.155 14.615 3.668 1.00 28.39 C ATOM 411 C ILE A 735 -26.910 15.791 4.573 1.00 28.92 C ATOM 412 O ILE A 735 -26.430 16.832 4.130 1.00 28.26 O ATOM 413 CB ILE A 735 -26.127 13.481 3.849 1.00 28.64 C ATOM 414 CG1 ILE A 735 -24.706 13.999 3.564 1.00 26.52 C ATOM 415 CG2 ILE A 735 -26.482 12.299 2.946 1.00 27.75 C ATOM 416 CD1 ILE A 735 -23.528 13.022 3.990 1.00 26.92 C ATOM 0 H ILE A 735 -26.598 15.539 1.996 1.00 30.34 H new ATOM 0 HA ILE A 735 -28.004 14.222 3.925 1.00 28.39 H new ATOM 0 HB ILE A 735 -26.152 13.173 4.768 1.00 28.64 H new ATOM 0 HG12 ILE A 735 -24.628 14.180 2.614 1.00 26.52 H new ATOM 0 HG13 ILE A 735 -24.588 14.844 4.025 1.00 26.52 H new ATOM 0 HG21 ILE A 735 -25.830 11.591 3.067 1.00 27.75 H new ATOM 0 HG22 ILE A 735 -27.364 11.968 3.177 1.00 27.75 H new ATOM 0 HG23 ILE A 735 -26.478 12.587 2.020 1.00 27.75 H new ATOM 0 HD11 ILE A 735 -22.675 13.430 3.773 1.00 26.92 H new ATOM 0 HD12 ILE A 735 -23.574 12.857 4.945 1.00 26.92 H new ATOM 0 HD13 ILE A 735 -23.615 12.182 3.512 1.00 26.92 H new ATOM 417 N LYS A 736 -27.255 15.666 5.846 1.00 29.00 N ATOM 418 CA LYS A 736 -27.169 16.767 6.756 1.00 30.55 C ATOM 419 C LYS A 736 -25.866 16.614 7.521 1.00 29.64 C ATOM 420 O LYS A 736 -25.261 15.545 7.435 1.00 28.49 O ATOM 421 CB LYS A 736 -28.360 16.747 7.731 1.00 32.31 C ATOM 422 CG LYS A 736 -29.159 18.059 7.722 1.00 35.90 C ATOM 423 CD LYS A 736 -29.502 18.558 6.308 1.00 40.21 C ATOM 424 CE LYS A 736 -29.601 20.085 6.268 1.00 42.37 C ATOM 425 NZ LYS A 736 -29.623 20.608 4.880 1.00 46.03 N ATOM 0 H LYS A 736 -27.544 14.936 6.197 1.00 29.00 H new ATOM 0 HA LYS A 736 -27.192 17.610 6.277 1.00 30.55 H new ATOM 0 HB2 LYS A 736 -28.950 16.012 7.500 1.00 32.31 H new ATOM 0 HB3 LYS A 736 -28.035 16.577 8.629 1.00 32.31 H new ATOM 0 HG2 LYS A 736 -29.981 17.932 8.221 1.00 35.90 H new ATOM 0 HG3 LYS A 736 -28.649 18.743 8.184 1.00 35.90 H new ATOM 0 HD2 LYS A 736 -28.823 18.259 5.683 1.00 40.21 H new ATOM 0 HD3 LYS A 736 -30.343 18.169 6.020 1.00 40.21 H new ATOM 0 HE2 LYS A 736 -30.405 20.368 6.731 1.00 42.37 H new ATOM 0 HE3 LYS A 736 -28.849 20.469 6.745 1.00 42.37 H new ATOM 0 HZ1 LYS A 736 -29.681 21.496 4.898 1.00 46.03 H new ATOM 0 HZ2 LYS A 736 -28.876 20.368 4.460 1.00 46.03 H new ATOM 0 HZ3 LYS A 736 -30.326 20.274 4.448 1.00 46.03 H new ATOM 426 N LYS A 737 -25.476 17.658 8.253 1.00 29.56 N ATOM 427 CA LYS A 737 -24.181 17.692 8.988 1.00 31.28 C ATOM 428 C LYS A 737 -24.066 16.513 9.951 1.00 31.49 C ATOM 429 O LYS A 737 -23.012 15.926 10.074 1.00 29.46 O ATOM 430 CB LYS A 737 -23.930 19.047 9.678 1.00 31.43 C ATOM 431 CG LYS A 737 -24.651 19.334 11.017 1.00 38.43 C ATOM 432 CD LYS A 737 -23.934 18.708 12.283 1.00 43.30 C ATOM 433 CE LYS A 737 -22.401 18.663 12.169 1.00 46.80 C ATOM 434 NZ LYS A 737 -21.684 19.722 12.940 1.00 46.77 N ATOM 0 H LYS A 737 -25.946 18.372 8.345 1.00 29.56 H new ATOM 0 HA LYS A 737 -23.473 17.598 8.332 1.00 31.28 H new ATOM 0 HB2 LYS A 737 -22.976 19.128 9.833 1.00 31.43 H new ATOM 0 HB3 LYS A 737 -24.176 19.747 9.053 1.00 31.43 H new ATOM 0 HG2 LYS A 737 -24.719 20.294 11.137 1.00 38.43 H new ATOM 0 HG3 LYS A 737 -25.556 18.989 10.966 1.00 38.43 H new ATOM 0 HD2 LYS A 737 -24.177 19.222 13.069 1.00 43.30 H new ATOM 0 HD3 LYS A 737 -24.266 17.807 12.420 1.00 43.30 H new ATOM 0 HE2 LYS A 737 -22.092 17.795 12.472 1.00 46.80 H new ATOM 0 HE3 LYS A 737 -22.156 18.740 11.234 1.00 46.80 H new ATOM 0 HZ1 LYS A 737 -20.806 19.631 12.825 1.00 46.77 H new ATOM 0 HZ2 LYS A 737 -21.939 20.524 12.651 1.00 46.77 H new ATOM 0 HZ3 LYS A 737 -21.879 19.643 13.805 1.00 46.77 H new ATOM 435 N GLU A 738 -25.170 16.158 10.625 1.00 31.73 N ATOM 436 CA GLU A 738 -25.150 15.025 11.562 1.00 32.69 C ATOM 437 C GLU A 738 -24.869 13.689 10.885 1.00 31.00 C ATOM 438 O GLU A 738 -24.186 12.832 11.440 1.00 30.63 O ATOM 439 CB GLU A 738 -26.481 14.954 12.362 1.00 32.59 C ATOM 440 CG GLU A 738 -26.830 16.224 13.144 1.00 36.34 C ATOM 441 CD GLU A 738 -27.382 17.402 12.308 1.00 38.97 C ATOM 442 OE1 GLU A 738 -27.734 17.249 11.112 1.00 37.53 O ATOM 443 OE2 GLU A 738 -27.498 18.504 12.887 1.00 44.90 O ATOM 0 H GLU A 738 -25.930 16.555 10.555 1.00 31.73 H new ATOM 0 HA GLU A 738 -24.413 15.188 12.171 1.00 32.69 H new ATOM 0 HB2 GLU A 738 -27.204 14.760 11.745 1.00 32.59 H new ATOM 0 HB3 GLU A 738 -26.431 14.211 12.983 1.00 32.59 H new ATOM 0 HG2 GLU A 738 -27.486 15.996 13.822 1.00 36.34 H new ATOM 0 HG3 GLU A 738 -26.034 16.525 13.609 1.00 36.34 H new ATOM 444 N GLU A 739 -25.424 13.508 9.689 1.00 29.80 N ATOM 445 CA GLU A 739 -25.204 12.327 8.884 1.00 27.97 C ATOM 446 C GLU A 739 -23.763 12.303 8.375 1.00 25.53 C ATOM 447 O GLU A 739 -23.116 11.279 8.404 1.00 23.97 O ATOM 448 CB GLU A 739 -26.161 12.312 7.696 1.00 29.17 C ATOM 449 CG GLU A 739 -27.506 11.618 7.890 1.00 29.12 C ATOM 450 CD GLU A 739 -28.393 11.808 6.646 1.00 29.80 C ATOM 451 OE1 GLU A 739 -28.687 12.962 6.298 1.00 30.57 O ATOM 452 OE2 GLU A 739 -28.715 10.804 5.991 1.00 37.99 O ATOM 0 H GLU A 739 -25.948 14.083 9.322 1.00 29.80 H new ATOM 0 HA GLU A 739 -25.366 11.544 9.433 1.00 27.97 H new ATOM 0 HB2 GLU A 739 -26.332 13.231 7.437 1.00 29.17 H new ATOM 0 HB3 GLU A 739 -25.708 11.886 6.951 1.00 29.17 H new ATOM 0 HG2 GLU A 739 -27.368 10.672 8.054 1.00 29.12 H new ATOM 0 HG3 GLU A 739 -27.953 11.979 8.671 1.00 29.12 H new ATOM 453 N PHE A 740 -23.287 13.440 7.856 1.00 23.52 N ATOM 454 CA PHE A 740 -21.900 13.542 7.369 1.00 22.10 C ATOM 455 C PHE A 740 -20.907 13.181 8.507 1.00 21.61 C ATOM 456 O PHE A 740 -19.985 12.376 8.353 1.00 20.70 O ATOM 457 CB PHE A 740 -21.637 14.979 6.885 1.00 21.57 C ATOM 458 CG PHE A 740 -20.193 15.239 6.542 1.00 22.86 C ATOM 459 CD1 PHE A 740 -19.666 14.791 5.325 1.00 24.40 C ATOM 460 CD2 PHE A 740 -19.381 15.943 7.432 1.00 22.01 C ATOM 461 CE1 PHE A 740 -18.319 15.019 4.989 1.00 22.69 C ATOM 462 CE2 PHE A 740 -17.996 16.183 7.087 1.00 20.45 C ATOM 463 CZ PHE A 740 -17.511 15.718 5.876 1.00 22.56 C ATOM 0 H PHE A 740 -23.747 14.162 7.776 1.00 23.52 H new ATOM 0 HA PHE A 740 -21.772 12.922 6.634 1.00 22.10 H new ATOM 0 HB2 PHE A 740 -22.185 15.156 6.104 1.00 21.57 H new ATOM 0 HB3 PHE A 740 -21.916 15.602 7.574 1.00 21.57 H new ATOM 0 HD1 PHE A 740 -20.215 14.335 4.729 1.00 24.40 H new ATOM 0 HD2 PHE A 740 -19.726 16.254 8.238 1.00 22.01 H new ATOM 0 HE1 PHE A 740 -17.974 14.706 4.184 1.00 22.69 H new ATOM 0 HE2 PHE A 740 -17.438 16.644 7.671 1.00 20.45 H new ATOM 0 HZ PHE A 740 -16.623 15.878 5.651 1.00 22.56 H new ATOM 464 N THR A 741 -21.030 13.860 9.640 1.00 22.80 N ATOM 465 CA THR A 741 -20.119 13.545 10.759 1.00 24.65 C ATOM 466 C THR A 741 -20.143 12.052 11.160 1.00 25.06 C ATOM 467 O THR A 741 -19.088 11.424 11.344 1.00 23.14 O ATOM 468 CB THR A 741 -20.333 14.476 11.993 1.00 24.83 C ATOM 469 OG1 THR A 741 -21.668 14.316 12.476 1.00 28.76 O ATOM 470 CG2 THR A 741 -20.169 15.912 11.597 1.00 24.93 C ATOM 0 H THR A 741 -21.605 14.482 9.789 1.00 22.80 H new ATOM 0 HA THR A 741 -19.228 13.725 10.420 1.00 24.65 H new ATOM 0 HB THR A 741 -19.682 14.240 12.672 1.00 24.83 H new ATOM 0 HG1 THR A 741 -22.106 13.842 11.938 1.00 28.76 H new ATOM 0 HG21 THR A 741 -20.304 16.479 12.372 1.00 24.93 H new ATOM 0 HG22 THR A 741 -19.275 16.051 11.247 1.00 24.93 H new ATOM 0 HG23 THR A 741 -20.821 16.136 10.915 1.00 24.93 H new ATOM 471 N GLU A 742 -21.330 11.469 11.254 1.00 23.26 N ATOM 472 CA GLU A 742 -21.423 10.070 11.664 1.00 25.04 C ATOM 473 C GLU A 742 -20.809 9.105 10.625 1.00 24.32 C ATOM 474 O GLU A 742 -20.036 8.195 10.972 1.00 22.53 O ATOM 475 CB GLU A 742 -22.845 9.725 12.086 1.00 26.90 C ATOM 476 CG GLU A 742 -22.976 8.336 12.640 1.00 31.81 C ATOM 477 CD GLU A 742 -24.373 8.024 13.173 1.00 37.01 C ATOM 478 OE1 GLU A 742 -25.285 8.885 13.145 1.00 42.95 O ATOM 479 OE2 GLU A 742 -24.530 6.885 13.615 1.00 41.83 O ATOM 0 H GLU A 742 -22.081 11.854 11.089 1.00 23.26 H new ATOM 0 HA GLU A 742 -20.872 9.946 12.452 1.00 25.04 H new ATOM 0 HB2 GLU A 742 -23.142 10.363 12.754 1.00 26.90 H new ATOM 0 HB3 GLU A 742 -23.435 9.819 11.322 1.00 26.90 H new ATOM 0 HG2 GLU A 742 -22.751 7.696 11.947 1.00 31.81 H new ATOM 0 HG3 GLU A 742 -22.331 8.218 13.355 1.00 31.81 H new ATOM 480 N ILE A 743 -21.017 9.396 9.332 1.00 20.85 N ATOM 481 CA ILE A 743 -20.389 8.650 8.284 1.00 20.79 C ATOM 482 C ILE A 743 -18.838 8.706 8.362 1.00 20.07 C ATOM 483 O ILE A 743 -18.199 7.676 8.274 1.00 20.94 O ATOM 484 CB ILE A 743 -20.861 9.105 6.860 1.00 23.05 C ATOM 485 CG1 ILE A 743 -22.301 8.753 6.717 1.00 22.72 C ATOM 486 CG2 ILE A 743 -20.060 8.363 5.828 1.00 21.68 C ATOM 487 CD1 ILE A 743 -23.014 9.440 5.555 1.00 22.99 C ATOM 0 H ILE A 743 -21.527 10.032 9.059 1.00 20.85 H new ATOM 0 HA ILE A 743 -20.669 7.731 8.421 1.00 20.79 H new ATOM 0 HB ILE A 743 -20.737 10.060 6.743 1.00 23.05 H new ATOM 0 HG12 ILE A 743 -22.377 7.793 6.604 1.00 22.72 H new ATOM 0 HG13 ILE A 743 -22.760 8.979 7.541 1.00 22.72 H new ATOM 0 HG21 ILE A 743 -20.343 8.636 4.941 1.00 21.68 H new ATOM 0 HG22 ILE A 743 -19.118 8.564 5.943 1.00 21.68 H new ATOM 0 HG23 ILE A 743 -20.201 7.409 5.933 1.00 21.68 H new ATOM 0 HD11 ILE A 743 -23.942 9.158 5.532 1.00 22.99 H new ATOM 0 HD12 ILE A 743 -22.971 10.402 5.672 1.00 22.99 H new ATOM 0 HD13 ILE A 743 -22.582 9.197 4.721 1.00 22.99 H new HETATM 488 N MSE A 744 -18.274 9.895 8.611 1.00 20.59 N HETATM 489 CA MSE A 744 -16.835 10.073 8.558 1.00 21.81 C HETATM 490 C MSE A 744 -16.226 9.346 9.773 1.00 21.73 C HETATM 491 O MSE A 744 -15.097 8.756 9.677 1.00 21.60 O HETATM 492 CB MSE A 744 -16.463 11.571 8.527 1.00 22.45 C HETATM 493 CG MSE A 744 -16.921 12.340 7.258 1.00 21.51 C HETATM 494 SE MSE A 744 -16.341 11.437 5.615 1.00 28.77 SE HETATM 495 CE MSE A 744 -14.498 11.789 5.944 1.00 27.99 C HETATM 0 H MSE A 744 -18.715 10.606 8.812 1.00 20.59 H new HETATM 0 HA MSE A 744 -16.474 9.692 7.742 1.00 21.81 H new HETATM 0 HB2 MSE A 744 -16.849 12.002 9.306 1.00 22.45 H new HETATM 0 HB3 MSE A 744 -15.500 11.652 8.607 1.00 22.45 H new HETATM 0 HG2 MSE A 744 -17.888 12.421 7.259 1.00 21.51 H new HETATM 0 HG3 MSE A 744 -16.561 13.241 7.277 1.00 21.51 H new HETATM 0 HE1 MSE A 744 -13.964 11.418 5.224 1.00 27.99 H new HETATM 0 HE2 MSE A 744 -14.355 12.747 5.991 1.00 27.99 H new HETATM 0 HE3 MSE A 744 -14.235 11.381 6.784 1.00 27.99 H new ATOM 496 N LYS A 745 -16.947 9.421 10.892 1.00 24.54 N ATOM 497 CA LYS A 745 -16.495 8.789 12.163 1.00 23.33 C ATOM 498 C LYS A 745 -16.540 7.258 11.995 1.00 24.55 C ATOM 499 O LYS A 745 -15.586 6.569 12.402 1.00 24.12 O ATOM 500 CB LYS A 745 -17.362 9.222 13.349 1.00 24.75 C ATOM 501 CG LYS A 745 -17.391 10.719 13.514 1.00 25.72 C ATOM 502 CD LYS A 745 -16.968 11.327 14.818 1.00 34.83 C ATOM 503 CE LYS A 745 -15.524 11.220 14.878 1.00 32.96 C ATOM 504 NZ LYS A 745 -15.367 9.748 15.214 1.00 27.64 N ATOM 0 H LYS A 745 -17.701 9.830 10.949 1.00 24.54 H new ATOM 0 HA LYS A 745 -15.589 9.078 12.352 1.00 23.33 H new ATOM 0 HB2 LYS A 745 -18.266 8.894 13.224 1.00 24.75 H new ATOM 0 HB3 LYS A 745 -17.023 8.815 14.162 1.00 24.75 H new ATOM 0 HG2 LYS A 745 -16.829 11.099 12.821 1.00 25.72 H new ATOM 0 HG3 LYS A 745 -18.298 11.013 13.337 1.00 25.72 H new ATOM 0 HD2 LYS A 745 -17.247 12.254 14.872 1.00 34.83 H new ATOM 0 HD3 LYS A 745 -17.379 10.863 15.564 1.00 34.83 H new ATOM 0 HE2 LYS A 745 -15.102 11.453 14.036 1.00 32.96 H new ATOM 0 HE3 LYS A 745 -15.140 11.796 15.557 1.00 32.96 H new ATOM 0 HZ1 LYS A 745 -14.691 9.644 15.784 1.00 27.64 H new ATOM 0 HZ2 LYS A 745 -16.117 9.446 15.586 1.00 27.64 H new ATOM 0 HZ3 LYS A 745 -15.200 9.290 14.470 1.00 27.64 H new ATOM 505 N ILE A 746 -17.636 6.753 11.400 1.00 23.33 N ATOM 506 CA ILE A 746 -17.739 5.286 11.131 1.00 23.00 C ATOM 507 C ILE A 746 -16.580 4.845 10.192 1.00 22.74 C ATOM 508 O ILE A 746 -15.868 3.872 10.438 1.00 22.60 O ATOM 509 CB ILE A 746 -19.151 4.828 10.693 1.00 23.38 C ATOM 510 CG1 ILE A 746 -20.189 5.082 11.812 1.00 24.96 C ATOM 511 CG2 ILE A 746 -19.152 3.355 10.239 1.00 22.33 C ATOM 512 CD1 ILE A 746 -21.617 4.911 11.254 1.00 26.14 C ATOM 0 H ILE A 746 -18.314 7.218 11.149 1.00 23.33 H new ATOM 0 HA ILE A 746 -17.623 4.810 11.968 1.00 23.00 H new ATOM 0 HB ILE A 746 -19.411 5.362 9.926 1.00 23.38 H new ATOM 0 HG12 ILE A 746 -20.044 4.464 12.545 1.00 24.96 H new ATOM 0 HG13 ILE A 746 -20.078 5.977 12.170 1.00 24.96 H new ATOM 0 HG21 ILE A 746 -20.049 3.099 9.972 1.00 22.33 H new ATOM 0 HG22 ILE A 746 -18.548 3.247 9.488 1.00 22.33 H new ATOM 0 HG23 ILE A 746 -18.860 2.790 10.972 1.00 22.33 H new ATOM 0 HD11 ILE A 746 -22.262 5.072 11.960 1.00 26.14 H new ATOM 0 HD12 ILE A 746 -21.762 5.545 10.534 1.00 26.14 H new ATOM 0 HD13 ILE A 746 -21.727 4.009 10.916 1.00 26.14 H new ATOM 513 N CYS A 747 -16.330 5.603 9.126 1.00 23.46 N ATOM 514 CA CYS A 747 -15.189 5.292 8.260 1.00 22.84 C ATOM 515 C CYS A 747 -13.876 5.223 8.995 1.00 24.42 C ATOM 516 O CYS A 747 -13.072 4.330 8.761 1.00 25.38 O ATOM 517 CB CYS A 747 -15.094 6.340 7.139 1.00 23.87 C ATOM 518 SG CYS A 747 -16.400 6.257 5.873 1.00 25.32 S ATOM 0 H CYS A 747 -16.795 6.286 8.889 1.00 23.46 H new ATOM 0 HA CYS A 747 -15.351 4.408 7.895 1.00 22.84 H new ATOM 0 HB2 CYS A 747 -15.111 7.223 7.541 1.00 23.87 H new ATOM 0 HB3 CYS A 747 -14.234 6.244 6.701 1.00 23.87 H new ATOM 0 HG CYS A 747 -17.416 6.718 6.315 1.00 25.32 H new ATOM 519 N SER A 748 -13.650 6.167 9.898 1.00 24.29 N ATOM 520 CA SER A 748 -12.374 6.157 10.599 1.00 26.22 C ATOM 521 C SER A 748 -12.369 4.933 11.525 1.00 25.42 C ATOM 522 O SER A 748 -11.340 4.331 11.700 1.00 27.73 O ATOM 523 CB SER A 748 -12.153 7.465 11.370 1.00 26.71 C ATOM 524 OG SER A 748 -13.077 7.519 12.411 1.00 35.80 O ATOM 0 H SER A 748 -14.195 6.797 10.114 1.00 24.29 H new ATOM 0 HA SER A 748 -11.639 6.095 9.969 1.00 26.22 H new ATOM 0 HB2 SER A 748 -11.249 7.503 11.718 1.00 26.71 H new ATOM 0 HB3 SER A 748 -12.263 8.228 10.781 1.00 26.71 H new ATOM 0 HG SER A 748 -13.799 7.168 12.164 1.00 35.80 H new ATOM 525 N THR A 749 -13.518 4.528 12.047 1.00 25.69 N ATOM 526 CA THR A 749 -13.569 3.329 12.924 1.00 26.66 C ATOM 527 C THR A 749 -13.231 2.090 12.102 1.00 27.71 C ATOM 528 O THR A 749 -12.466 1.225 12.534 1.00 28.31 O ATOM 529 CB THR A 749 -14.926 3.207 13.579 1.00 26.15 C ATOM 530 OG1 THR A 749 -15.087 4.323 14.472 1.00 29.05 O ATOM 531 CG2 THR A 749 -15.064 1.938 14.365 1.00 28.30 C ATOM 0 H THR A 749 -14.275 4.915 11.918 1.00 25.69 H new ATOM 0 HA THR A 749 -12.914 3.417 13.634 1.00 26.66 H new ATOM 0 HB THR A 749 -15.603 3.197 12.884 1.00 26.15 H new ATOM 0 HG1 THR A 749 -15.891 4.567 14.473 1.00 29.05 H new ATOM 0 HG21 THR A 749 -15.946 1.900 14.767 1.00 28.30 H new ATOM 0 HG22 THR A 749 -14.945 1.177 13.775 1.00 28.30 H new ATOM 0 HG23 THR A 749 -14.390 1.914 15.062 1.00 28.30 H new ATOM 532 N ILE A 750 -13.834 2.005 10.934 1.00 26.54 N ATOM 533 CA ILE A 750 -13.662 0.888 10.037 1.00 27.07 C ATOM 534 C ILE A 750 -12.184 0.794 9.650 1.00 28.29 C ATOM 535 O ILE A 750 -11.628 -0.302 9.584 1.00 28.06 O ATOM 536 CB ILE A 750 -14.569 1.030 8.779 1.00 28.24 C ATOM 537 CG1 ILE A 750 -16.068 0.860 9.151 1.00 26.65 C ATOM 538 CG2 ILE A 750 -14.095 0.037 7.677 1.00 24.59 C ATOM 539 CD1 ILE A 750 -17.053 1.270 8.007 1.00 25.86 C ATOM 0 H ILE A 750 -14.367 2.610 10.635 1.00 26.54 H new ATOM 0 HA ILE A 750 -13.931 0.070 10.484 1.00 27.07 H new ATOM 0 HB ILE A 750 -14.486 1.926 8.416 1.00 28.24 H new ATOM 0 HG12 ILE A 750 -16.230 -0.066 9.390 1.00 26.65 H new ATOM 0 HG13 ILE A 750 -16.260 1.394 9.938 1.00 26.65 H new ATOM 0 HG21 ILE A 750 -14.661 0.127 6.895 1.00 24.59 H new ATOM 0 HG22 ILE A 750 -13.177 0.235 7.436 1.00 24.59 H new ATOM 0 HG23 ILE A 750 -14.151 -0.871 8.013 1.00 24.59 H new ATOM 0 HD11 ILE A 750 -17.967 1.140 8.305 1.00 25.86 H new ATOM 0 HD12 ILE A 750 -16.917 2.204 7.781 1.00 25.86 H new ATOM 0 HD13 ILE A 750 -16.887 0.721 7.225 1.00 25.86 H new ATOM 540 N GLU A 751 -11.569 1.946 9.360 1.00 30.06 N ATOM 541 CA GLU A 751 -10.146 2.029 9.024 1.00 32.40 C ATOM 542 C GLU A 751 -9.260 1.542 10.159 1.00 34.03 C ATOM 543 O GLU A 751 -8.246 0.899 9.908 1.00 33.92 O ATOM 544 CB GLU A 751 -9.716 3.438 8.636 1.00 32.25 C ATOM 545 CG GLU A 751 -10.247 3.923 7.306 1.00 37.02 C ATOM 546 CD GLU A 751 -9.348 3.638 6.128 1.00 44.36 C ATOM 547 OE1 GLU A 751 -8.324 4.366 6.004 1.00 46.44 O ATOM 548 OE2 GLU A 751 -9.698 2.735 5.307 1.00 43.64 O ATOM 0 H GLU A 751 -11.971 2.706 9.353 1.00 30.06 H new ATOM 0 HA GLU A 751 -10.033 1.446 8.257 1.00 32.40 H new ATOM 0 HB2 GLU A 751 -10.006 4.052 9.328 1.00 32.25 H new ATOM 0 HB3 GLU A 751 -8.747 3.472 8.614 1.00 32.25 H new ATOM 0 HG2 GLU A 751 -11.110 3.510 7.146 1.00 37.02 H new ATOM 0 HG3 GLU A 751 -10.396 4.880 7.360 1.00 37.02 H new ATOM 549 N GLU A 752 -9.639 1.868 11.387 1.00 34.90 N ATOM 550 CA GLU A 752 -8.996 1.298 12.572 1.00 37.77 C ATOM 551 C GLU A 752 -9.106 -0.242 12.604 1.00 37.47 C ATOM 552 O GLU A 752 -8.113 -0.928 12.862 1.00 38.83 O ATOM 553 CB GLU A 752 -9.610 1.904 13.834 1.00 37.72 C ATOM 554 CG GLU A 752 -8.620 2.095 14.936 1.00 41.77 C ATOM 555 CD GLU A 752 -9.182 2.836 16.141 1.00 45.88 C ATOM 556 OE1 GLU A 752 -10.080 3.697 15.970 1.00 44.09 O ATOM 557 OE2 GLU A 752 -8.687 2.558 17.266 1.00 47.43 O ATOM 0 H GLU A 752 -10.273 2.423 11.561 1.00 34.90 H new ATOM 0 HA GLU A 752 -8.052 1.517 12.534 1.00 37.77 H new ATOM 0 HB2 GLU A 752 -10.009 2.760 13.614 1.00 37.72 H new ATOM 0 HB3 GLU A 752 -10.326 1.329 14.146 1.00 37.72 H new ATOM 0 HG2 GLU A 752 -8.295 1.227 15.223 1.00 41.77 H new ATOM 0 HG3 GLU A 752 -7.856 2.584 14.593 1.00 41.77 H new ATOM 558 N LEU A 753 -10.303 -0.779 12.352 1.00 39.77 N ATOM 559 CA LEU A 753 -10.514 -2.242 12.307 1.00 39.90 C ATOM 560 C LEU A 753 -9.848 -2.949 11.108 1.00 42.60 C ATOM 561 O LEU A 753 -9.720 -4.169 11.127 1.00 43.18 O ATOM 562 CB LEU A 753 -12.016 -2.587 12.347 1.00 39.01 C ATOM 563 CG LEU A 753 -12.859 -2.194 13.570 1.00 37.73 C ATOM 564 CD1 LEU A 753 -14.349 -2.383 13.343 1.00 35.97 C ATOM 565 CD2 LEU A 753 -12.418 -2.946 14.824 1.00 39.76 C ATOM 0 H LEU A 753 -11.012 -0.316 12.203 1.00 39.77 H new ATOM 0 HA LEU A 753 -10.073 -2.581 13.102 1.00 39.90 H new ATOM 0 HB2 LEU A 753 -12.427 -2.179 11.569 1.00 39.01 H new ATOM 0 HB3 LEU A 753 -12.095 -3.548 12.238 1.00 39.01 H new ATOM 0 HG LEU A 753 -12.703 -1.246 13.705 1.00 37.73 H new ATOM 0 HD11 LEU A 753 -14.834 -2.122 14.141 1.00 35.97 H new ATOM 0 HD12 LEU A 753 -14.635 -1.833 12.597 1.00 35.97 H new ATOM 0 HD13 LEU A 753 -14.531 -3.315 13.145 1.00 35.97 H new ATOM 0 HD21 LEU A 753 -12.969 -2.675 15.575 1.00 39.76 H new ATOM 0 HD22 LEU A 753 -12.515 -3.900 14.680 1.00 39.76 H new ATOM 0 HD23 LEU A 753 -11.489 -2.741 15.015 1.00 39.76 H new ATOM 566 N ARG A 754 -9.409 -2.212 10.087 1.00 45.07 N ATOM 567 CA ARG A 754 -8.692 -2.826 8.943 1.00 48.40 C ATOM 568 C ARG A 754 -7.243 -3.075 9.311 1.00 50.89 C ATOM 569 O ARG A 754 -6.704 -4.167 9.101 1.00 51.66 O ATOM 570 CB ARG A 754 -8.648 -1.907 7.724 1.00 48.12 C ATOM 571 CG ARG A 754 -9.941 -1.434 7.115 1.00 49.04 C ATOM 572 CD ARG A 754 -9.584 -0.411 6.038 1.00 49.85 C ATOM 573 NE ARG A 754 -8.488 -0.921 5.217 1.00 48.78 N ATOM 574 CZ ARG A 754 -7.556 -0.197 4.591 1.00 49.73 C ATOM 575 NH1 ARG A 754 -7.529 1.126 4.650 1.00 49.45 N ATOM 576 NH2 ARG A 754 -6.615 -0.821 3.894 1.00 46.70 N ATOM 0 H ARG A 754 -9.511 -1.360 10.029 1.00 45.07 H new ATOM 0 HA ARG A 754 -9.173 -3.643 8.736 1.00 48.40 H new ATOM 0 HB2 ARG A 754 -8.136 -1.121 7.969 1.00 48.12 H new ATOM 0 HB3 ARG A 754 -8.149 -2.366 7.030 1.00 48.12 H new ATOM 0 HG2 ARG A 754 -10.431 -2.178 6.732 1.00 49.04 H new ATOM 0 HG3 ARG A 754 -10.512 -1.035 7.790 1.00 49.04 H new ATOM 0 HD2 ARG A 754 -10.358 -0.230 5.483 1.00 49.85 H new ATOM 0 HD3 ARG A 754 -9.327 0.429 6.450 1.00 49.85 H new ATOM 0 HE ARG A 754 -8.438 -1.775 5.128 1.00 48.78 H new ATOM 0 HH11 ARG A 754 -8.125 1.548 5.103 1.00 49.45 H new ATOM 0 HH12 ARG A 754 -6.915 1.562 4.235 1.00 49.45 H new ATOM 0 HH21 ARG A 754 -6.611 -1.680 3.850 1.00 46.70 H new ATOM 0 HH22 ARG A 754 -6.009 -0.367 3.486 1.00 46.70 H new ATOM 577 N ARG A 755 -6.625 -2.031 9.852 1.00 53.73 N ATOM 578 CA ARG A 755 -5.204 -2.008 10.170 1.00 56.44 C ATOM 579 C ARG A 755 -4.808 -3.097 11.168 1.00 57.63 C ATOM 580 O ARG A 755 -3.645 -3.504 11.203 1.00 58.23 O ATOM 581 CB ARG A 755 -4.797 -0.623 10.669 1.00 56.50 C ATOM 582 CG ARG A 755 -4.478 0.360 9.556 1.00 58.53 C ATOM 583 CD ARG A 755 -5.709 1.096 9.006 1.00 59.55 C ATOM 584 NE ARG A 755 -5.463 1.644 7.667 1.00 60.84 N ATOM 585 CZ ARG A 755 -4.948 2.851 7.409 1.00 61.25 C ATOM 586 NH1 ARG A 755 -4.620 3.682 8.395 1.00 60.48 N ATOM 587 NH2 ARG A 755 -4.755 3.231 6.148 1.00 60.98 N ATOM 0 H ARG A 755 -7.031 -1.299 10.049 1.00 53.73 H new ATOM 0 HA ARG A 755 -4.720 -2.200 9.352 1.00 56.44 H new ATOM 0 HB2 ARG A 755 -5.514 -0.261 11.213 1.00 56.50 H new ATOM 0 HB3 ARG A 755 -4.021 -0.711 11.244 1.00 56.50 H new ATOM 0 HG2 ARG A 755 -3.842 1.014 9.886 1.00 58.53 H new ATOM 0 HG3 ARG A 755 -4.045 -0.116 8.830 1.00 58.53 H new ATOM 0 HD2 ARG A 755 -6.462 0.486 8.972 1.00 59.55 H new ATOM 0 HD3 ARG A 755 -5.953 1.815 9.610 1.00 59.55 H new ATOM 0 HE ARG A 755 -5.666 1.149 6.994 1.00 60.84 H new ATOM 0 HH11 ARG A 755 -4.738 3.446 9.213 1.00 60.48 H new ATOM 0 HH12 ARG A 755 -4.290 4.455 8.214 1.00 60.48 H new ATOM 0 HH21 ARG A 755 -4.961 2.701 5.503 1.00 60.98 H new ATOM 0 HH22 ARG A 755 -4.424 4.006 5.978 1.00 60.98 H new ATOM 588 N GLN A 756 -5.776 -3.574 11.951 1.00 59.15 N ATOM 589 CA GLN A 756 -5.566 -4.731 12.828 1.00 61.13 C ATOM 590 C GLN A 756 -6.403 -5.952 12.404 1.00 61.52 C ATOM 591 O GLN A 756 -6.983 -6.648 13.247 1.00 62.26 O ATOM 592 CB GLN A 756 -5.787 -4.368 14.306 1.00 60.85 C ATOM 593 CG GLN A 756 -4.841 -5.118 15.260 1.00 62.62 C ATOM 594 CD GLN A 756 -4.920 -4.643 16.710 1.00 62.19 C ATOM 595 OE1 GLN A 756 -5.838 -5.012 17.452 1.00 63.80 O ATOM 596 NE2 GLN A 756 -3.944 -3.838 17.124 1.00 62.31 N ATOM 0 H GLN A 756 -6.568 -3.240 11.990 1.00 59.15 H new ATOM 0 HA GLN A 756 -4.637 -4.990 12.730 1.00 61.13 H new ATOM 0 HB2 GLN A 756 -5.663 -3.413 14.421 1.00 60.85 H new ATOM 0 HB3 GLN A 756 -6.705 -4.566 14.548 1.00 60.85 H new ATOM 0 HG2 GLN A 756 -5.047 -6.065 15.228 1.00 62.62 H new ATOM 0 HG3 GLN A 756 -3.930 -5.015 14.944 1.00 62.62 H new ATOM 0 HE21 GLN A 756 -3.321 -3.602 16.580 1.00 62.31 H new ATOM 0 HE22 GLN A 756 -3.936 -3.554 17.936 1.00 62.31 H new ATOM 597 N LYS A 757 -6.450 -6.193 11.090 1.00 62.09 N ATOM 598 CA LYS A 757 -6.988 -7.424 10.474 1.00 62.57 C ATOM 599 C LYS A 757 -8.488 -7.381 10.193 1.00 62.78 C ATOM 600 O LYS A 757 -9.058 -6.388 9.730 1.00 62.47 O ATOM 601 CB LYS A 757 -6.640 -8.689 11.288 1.00 62.71 C ATOM 602 CG LYS A 757 -5.141 -8.964 11.503 1.00 62.98 C ATOM 603 CD LYS A 757 -4.929 -10.018 12.605 1.00 62.80 C ATOM 604 CE LYS A 757 -4.881 -11.448 12.060 1.00 63.41 C ATOM 605 NZ LYS A 757 -6.112 -11.874 11.319 1.00 63.61 N ATOM 606 OXT LYS A 757 -9.172 -8.385 10.418 1.00 63.34 O ATOM 0 H LYS A 757 -6.161 -5.628 10.509 1.00 62.09 H new ATOM 0 HA LYS A 757 -6.543 -7.471 9.613 1.00 62.57 H new ATOM 0 HB2 LYS A 757 -7.065 -8.620 12.157 1.00 62.71 H new ATOM 0 HB3 LYS A 757 -7.030 -9.457 10.841 1.00 62.71 H new ATOM 0 HG2 LYS A 757 -4.743 -9.272 10.674 1.00 62.98 H new ATOM 0 HG3 LYS A 757 -4.689 -8.141 11.746 1.00 62.98 H new ATOM 0 HD2 LYS A 757 -4.101 -9.827 13.074 1.00 62.80 H new ATOM 0 HD3 LYS A 757 -5.646 -9.948 13.255 1.00 62.80 H new ATOM 0 HE2 LYS A 757 -4.117 -11.531 11.469 1.00 63.41 H new ATOM 0 HE3 LYS A 757 -4.735 -12.059 12.799 1.00 63.41 H new ATOM 0 HZ1 LYS A 757 -6.103 -12.757 11.211 1.00 63.61 H new ATOM 0 HZ2 LYS A 757 -6.834 -11.640 11.783 1.00 63.61 H new ATOM 0 HZ3 LYS A 757 -6.131 -11.478 10.522 1.00 63.61 H new TER 607 LYS A 757 ATOM 608 N GLY B -2 -30.787 7.360 5.493 1.00 31.01 N ATOM 609 CA GLY B -2 -30.828 7.059 4.039 1.00 27.98 C ATOM 610 C GLY B -2 -29.791 6.037 3.619 1.00 27.09 C ATOM 611 O GLY B -2 -29.272 5.269 4.463 1.00 27.24 O ATOM 0 H1 GLY B -2 -31.490 7.859 5.713 1.00 31.01 H new ATOM 0 H2 GLY B -2 -30.808 6.599 5.955 1.00 31.01 H new ATOM 0 H3 GLY B -2 -30.038 7.802 5.684 1.00 31.01 H new ATOM 0 HA2 GLY B -2 -31.711 6.732 3.806 1.00 27.98 H new ATOM 0 HA3 GLY B -2 -30.688 7.879 3.540 1.00 27.98 H new ATOM 612 N GLY B -1 -29.553 5.965 2.321 1.00 26.54 N ATOM 613 CA GLY B -1 -28.650 4.946 1.771 1.00 24.15 C ATOM 614 C GLY B -1 -27.195 5.064 2.235 1.00 24.83 C ATOM 615 O GLY B -1 -26.504 4.038 2.377 1.00 22.20 O ATOM 0 H GLY B -1 -29.899 6.491 1.736 1.00 26.54 H new ATOM 0 HA2 GLY B -1 -28.985 4.069 2.015 1.00 24.15 H new ATOM 0 HA3 GLY B -1 -28.673 4.999 0.803 1.00 24.15 H new ATOM 616 N SER B 0 -26.717 6.288 2.374 1.00 24.79 N ATOM 617 CA SER B 0 -25.318 6.525 2.787 1.00 24.36 C ATOM 618 C SER B 0 -25.123 5.988 4.204 1.00 24.59 C ATOM 619 O SER B 0 -24.142 5.341 4.491 1.00 23.90 O ATOM 620 CB SER B 0 -25.028 8.010 2.743 1.00 25.61 C ATOM 621 OG SER B 0 -25.111 8.497 1.420 1.00 26.56 O ATOM 0 H SER B 0 -27.175 7.003 2.237 1.00 24.79 H new ATOM 0 HA SER B 0 -24.708 6.069 2.186 1.00 24.36 H new ATOM 0 HB2 SER B 0 -25.659 8.484 3.307 1.00 25.61 H new ATOM 0 HB3 SER B 0 -24.143 8.182 3.101 1.00 25.61 H new ATOM 0 HG SER B 0 -25.908 8.696 1.244 1.00 26.56 H new HETATM 622 N MSE B 1 -26.097 6.258 5.081 1.00 23.64 N HETATM 623 CA MSE B 1 -26.102 5.684 6.404 1.00 25.00 C HETATM 624 C MSE B 1 -26.271 4.209 6.430 1.00 24.94 C HETATM 625 O MSE B 1 -25.551 3.574 7.182 1.00 24.68 O HETATM 626 CB MSE B 1 -27.158 6.319 7.317 1.00 26.27 C HETATM 627 CG MSE B 1 -26.902 7.678 7.718 1.00 28.36 C HETATM 628 SE MSE B 1 -25.262 7.987 8.836 1.00 46.18 SE HETATM 629 CE MSE B 1 -25.043 6.724 9.658 1.00 13.56 C HETATM 0 H MSE B 1 -26.763 6.776 4.915 1.00 23.64 H new HETATM 0 HA MSE B 1 -25.215 5.885 6.742 1.00 25.00 H new HETATM 0 HB2 MSE B 1 -28.014 6.289 6.863 1.00 26.27 H new HETATM 0 HB3 MSE B 1 -27.241 5.774 8.115 1.00 26.27 H new HETATM 0 HG2 MSE B 1 -26.832 8.223 6.918 1.00 28.36 H new HETATM 0 HG3 MSE B 1 -27.672 7.999 8.213 1.00 28.36 H new HETATM 0 HE1 MSE B 1 -24.256 6.832 10.215 1.00 13.56 H new HETATM 0 HE2 MSE B 1 -25.817 6.565 10.220 1.00 13.56 H new HETATM 0 HE3 MSE B 1 -24.916 5.968 9.063 1.00 13.56 H new ATOM 630 N GLU B 2 -27.246 3.648 5.692 1.00 24.23 N ATOM 631 CA GLU B 2 -27.484 2.197 5.673 1.00 27.38 C ATOM 632 C GLU B 2 -26.204 1.466 5.329 1.00 24.84 C ATOM 633 O GLU B 2 -25.841 0.489 5.977 1.00 25.38 O ATOM 634 CB GLU B 2 -28.527 1.767 4.564 1.00 27.51 C ATOM 635 CG GLU B 2 -28.291 2.325 3.041 1.00 33.29 C ATOM 636 CD GLU B 2 -27.773 1.369 1.837 1.00 33.80 C ATOM 637 OE1 GLU B 2 -27.158 1.907 0.823 1.00 33.56 O ATOM 638 OE2 GLU B 2 -27.994 0.101 1.847 1.00 40.17 O ATOM 0 H GLU B 2 -27.783 4.098 5.193 1.00 24.23 H new ATOM 0 HA GLU B 2 -27.820 1.973 6.555 1.00 27.38 H new ATOM 0 HB2 GLU B 2 -28.542 0.798 4.528 1.00 27.51 H new ATOM 0 HB3 GLU B 2 -29.407 2.054 4.854 1.00 27.51 H new ATOM 0 HG2 GLU B 2 -29.134 2.706 2.750 1.00 33.29 H new ATOM 0 HG3 GLU B 2 -27.657 3.056 3.108 1.00 33.29 H new ATOM 639 N ARG B 3 -25.576 1.906 4.254 1.00 21.85 N ATOM 640 CA ARG B 3 -24.463 1.137 3.714 1.00 21.13 C ATOM 641 C ARG B 3 -23.220 1.208 4.627 1.00 20.07 C ATOM 642 O ARG B 3 -22.487 0.225 4.772 1.00 23.72 O ATOM 643 CB ARG B 3 -24.129 1.582 2.285 1.00 20.91 C ATOM 644 CG ARG B 3 -23.387 2.900 2.222 1.00 20.27 C ATOM 645 CD ARG B 3 -23.334 3.295 0.769 1.00 23.41 C ATOM 646 NE ARG B 3 -22.609 4.525 0.637 1.00 23.46 N ATOM 647 CZ ARG B 3 -22.189 5.042 -0.525 1.00 24.53 C ATOM 648 NH1 ARG B 3 -21.476 6.174 -0.500 1.00 21.67 N ATOM 649 NH2 ARG B 3 -22.436 4.429 -1.689 1.00 24.84 N ATOM 0 H ARG B 3 -25.769 2.628 3.828 1.00 21.85 H new ATOM 0 HA ARG B 3 -24.741 0.208 3.682 1.00 21.13 H new ATOM 0 HB2 ARG B 3 -23.593 0.896 1.857 1.00 20.91 H new ATOM 0 HB3 ARG B 3 -24.952 1.657 1.777 1.00 20.91 H new ATOM 0 HG2 ARG B 3 -23.842 3.577 2.747 1.00 20.27 H new ATOM 0 HG3 ARG B 3 -22.493 2.810 2.588 1.00 20.27 H new ATOM 0 HD2 ARG B 3 -22.905 2.597 0.249 1.00 23.41 H new ATOM 0 HD3 ARG B 3 -24.233 3.398 0.418 1.00 23.41 H new ATOM 0 HE ARG B 3 -22.431 4.962 1.356 1.00 23.46 H new ATOM 0 HH11 ARG B 3 -21.297 6.553 0.251 1.00 21.67 H new ATOM 0 HH12 ARG B 3 -21.197 6.523 -1.235 1.00 21.67 H new ATOM 0 HH21 ARG B 3 -22.872 3.688 -1.701 1.00 24.84 H new ATOM 0 HH22 ARG B 3 -22.158 4.776 -2.425 1.00 24.84 H new ATOM 650 N ILE B 4 -22.993 2.360 5.263 1.00 20.36 N ATOM 651 CA ILE B 4 -21.820 2.462 6.158 1.00 20.25 C ATOM 652 C ILE B 4 -22.030 1.677 7.434 1.00 21.88 C ATOM 653 O ILE B 4 -21.095 1.060 7.954 1.00 20.56 O ATOM 654 CB ILE B 4 -21.366 3.943 6.345 1.00 19.46 C ATOM 655 CG1 ILE B 4 -19.852 4.003 6.654 1.00 22.09 C ATOM 656 CG2 ILE B 4 -22.215 4.653 7.423 1.00 20.45 C ATOM 657 CD1 ILE B 4 -18.888 3.546 5.595 1.00 24.34 C ATOM 0 H ILE B 4 -23.477 3.068 5.200 1.00 20.36 H new ATOM 0 HA ILE B 4 -21.060 2.034 5.733 1.00 20.25 H new ATOM 0 HB ILE B 4 -21.514 4.424 5.516 1.00 19.46 H new ATOM 0 HG12 ILE B 4 -19.632 4.921 6.877 1.00 22.09 H new ATOM 0 HG13 ILE B 4 -19.691 3.471 7.449 1.00 22.09 H new ATOM 0 HG21 ILE B 4 -21.914 5.570 7.520 1.00 20.45 H new ATOM 0 HG22 ILE B 4 -23.148 4.646 7.157 1.00 20.45 H new ATOM 0 HG23 ILE B 4 -22.117 4.190 8.269 1.00 20.45 H new ATOM 0 HD11 ILE B 4 -17.980 3.638 5.923 1.00 24.34 H new ATOM 0 HD12 ILE B 4 -19.061 2.616 5.379 1.00 24.34 H new ATOM 0 HD13 ILE B 4 -19.001 4.088 4.799 1.00 24.34 H new ATOM 658 N LYS B 5 -23.267 1.715 7.942 1.00 21.78 N ATOM 659 CA LYS B 5 -23.637 0.901 9.138 1.00 23.53 C ATOM 660 C LYS B 5 -23.492 -0.601 8.845 1.00 22.86 C ATOM 661 O LYS B 5 -22.962 -1.380 9.701 1.00 22.97 O ATOM 662 CB LYS B 5 -25.056 1.293 9.613 1.00 24.26 C ATOM 663 CG LYS B 5 -25.125 2.670 10.278 1.00 24.47 C ATOM 664 CD LYS B 5 -26.418 3.019 10.985 1.00 28.71 C ATOM 665 CE LYS B 5 -26.188 4.306 11.755 1.00 33.37 C ATOM 666 NZ LYS B 5 -27.322 4.682 12.660 1.00 40.32 N ATOM 0 H LYS B 5 -23.906 2.194 7.623 1.00 21.78 H new ATOM 0 HA LYS B 5 -23.025 1.091 9.866 1.00 23.53 H new ATOM 0 HB2 LYS B 5 -25.658 1.280 8.852 1.00 24.26 H new ATOM 0 HB3 LYS B 5 -25.375 0.624 10.239 1.00 24.26 H new ATOM 0 HG2 LYS B 5 -24.402 2.732 10.921 1.00 24.47 H new ATOM 0 HG3 LYS B 5 -24.960 3.343 9.599 1.00 24.47 H new ATOM 0 HD2 LYS B 5 -27.138 3.130 10.344 1.00 28.71 H new ATOM 0 HD3 LYS B 5 -26.681 2.305 11.586 1.00 28.71 H new ATOM 0 HE2 LYS B 5 -25.380 4.216 12.284 1.00 33.37 H new ATOM 0 HE3 LYS B 5 -26.036 5.027 11.124 1.00 33.37 H new ATOM 0 HZ1 LYS B 5 -27.127 5.442 13.081 1.00 40.32 H new ATOM 0 HZ2 LYS B 5 -28.062 4.792 12.179 1.00 40.32 H new ATOM 0 HZ3 LYS B 5 -27.451 4.036 13.259 1.00 40.32 H new ATOM 667 N GLU B 6 -23.942 -1.042 7.681 1.00 22.28 N ATOM 668 CA GLU B 6 -23.784 -2.442 7.271 1.00 22.98 C ATOM 669 C GLU B 6 -22.264 -2.846 7.197 1.00 21.39 C ATOM 670 O GLU B 6 -21.876 -3.891 7.656 1.00 21.77 O ATOM 671 CB GLU B 6 -24.503 -2.762 5.963 1.00 26.13 C ATOM 672 CG GLU B 6 -24.255 -4.260 5.591 1.00 30.11 C ATOM 673 CD GLU B 6 -25.312 -4.913 4.705 1.00 39.40 C ATOM 674 OE1 GLU B 6 -26.084 -4.192 4.025 1.00 41.61 O ATOM 675 OE2 GLU B 6 -25.343 -6.178 4.673 1.00 40.60 O ATOM 0 H GLU B 6 -24.346 -0.547 7.105 1.00 22.28 H new ATOM 0 HA GLU B 6 -24.209 -2.979 7.958 1.00 22.98 H new ATOM 0 HB2 GLU B 6 -25.454 -2.594 6.055 1.00 26.13 H new ATOM 0 HB3 GLU B 6 -24.180 -2.184 5.254 1.00 26.13 H new ATOM 0 HG2 GLU B 6 -23.397 -4.326 5.143 1.00 30.11 H new ATOM 0 HG3 GLU B 6 -24.186 -4.772 6.412 1.00 30.11 H new ATOM 676 N LEU B 7 -21.436 -2.005 6.573 1.00 20.54 N ATOM 677 CA LEU B 7 -20.002 -2.245 6.515 1.00 20.39 C ATOM 678 C LEU B 7 -19.442 -2.307 7.927 1.00 21.69 C ATOM 679 O LEU B 7 -18.711 -3.237 8.270 1.00 21.20 O ATOM 680 CB LEU B 7 -19.328 -1.162 5.700 1.00 19.81 C ATOM 681 CG LEU B 7 -17.776 -1.355 5.619 1.00 18.81 C ATOM 682 CD1 LEU B 7 -17.385 -2.688 5.189 1.00 22.58 C ATOM 683 CD2 LEU B 7 -17.335 -0.372 4.487 1.00 19.36 C ATOM 0 H LEU B 7 -21.692 -1.286 6.176 1.00 20.54 H new ATOM 0 HA LEU B 7 -19.828 -3.094 6.080 1.00 20.39 H new ATOM 0 HB2 LEU B 7 -19.698 -1.158 4.803 1.00 19.81 H new ATOM 0 HB3 LEU B 7 -19.524 -0.297 6.092 1.00 19.81 H new ATOM 0 HG LEU B 7 -17.379 -1.207 6.492 1.00 18.81 H new ATOM 0 HD11 LEU B 7 -16.417 -2.747 5.158 1.00 22.58 H new ATOM 0 HD12 LEU B 7 -17.729 -3.344 5.815 1.00 22.58 H new ATOM 0 HD13 LEU B 7 -17.748 -2.863 4.307 1.00 22.58 H new ATOM 0 HD21 LEU B 7 -16.374 -0.426 4.367 1.00 19.36 H new ATOM 0 HD22 LEU B 7 -17.778 -0.613 3.658 1.00 19.36 H new ATOM 0 HD23 LEU B 7 -17.579 0.534 4.732 1.00 19.36 H new ATOM 684 N ARG B 8 -19.829 -1.357 8.784 1.00 22.12 N ATOM 685 CA ARG B 8 -19.360 -1.416 10.172 1.00 23.82 C ATOM 686 C ARG B 8 -19.787 -2.726 10.844 1.00 23.49 C ATOM 687 O ARG B 8 -18.990 -3.379 11.530 1.00 24.77 O ATOM 688 CB ARG B 8 -19.923 -0.218 10.927 1.00 23.90 C ATOM 689 CG ARG B 8 -19.171 0.006 12.275 1.00 25.50 C ATOM 690 CD ARG B 8 -19.825 -0.767 13.344 1.00 28.31 C ATOM 691 NE ARG B 8 -21.260 -0.714 13.088 1.00 32.20 N ATOM 692 CZ ARG B 8 -22.006 0.377 13.275 1.00 23.96 C ATOM 693 NH1 ARG B 8 -21.470 1.466 13.778 1.00 32.11 N ATOM 694 NH2 ARG B 8 -23.314 0.353 13.008 1.00 30.38 N ATOM 0 H ARG B 8 -20.343 -0.694 8.592 1.00 22.12 H new ATOM 0 HA ARG B 8 -18.390 -1.388 10.185 1.00 23.82 H new ATOM 0 HB2 ARG B 8 -19.849 0.578 10.377 1.00 23.90 H new ATOM 0 HB3 ARG B 8 -20.867 -0.357 11.100 1.00 23.90 H new ATOM 0 HG2 ARG B 8 -18.244 -0.267 12.187 1.00 25.50 H new ATOM 0 HG3 ARG B 8 -19.169 0.949 12.501 1.00 25.50 H new ATOM 0 HD2 ARG B 8 -19.510 -1.684 13.347 1.00 28.31 H new ATOM 0 HD3 ARG B 8 -19.617 -0.393 14.215 1.00 28.31 H new ATOM 0 HE ARG B 8 -21.647 -1.426 12.800 1.00 32.20 H new ATOM 0 HH11 ARG B 8 -20.636 1.477 13.988 1.00 32.11 H new ATOM 0 HH12 ARG B 8 -21.953 2.167 13.897 1.00 32.11 H new ATOM 0 HH21 ARG B 8 -23.680 -0.368 12.714 1.00 30.38 H new ATOM 0 HH22 ARG B 8 -23.791 1.058 13.130 1.00 30.38 H new ATOM 695 N ASN B 9 -21.008 -3.151 10.573 1.00 23.93 N ATOM 696 CA ASN B 9 -21.486 -4.404 11.167 1.00 24.81 C ATOM 697 C ASN B 9 -20.746 -5.636 10.667 1.00 23.64 C ATOM 698 O ASN B 9 -20.490 -6.523 11.429 1.00 23.96 O ATOM 699 CB ASN B 9 -22.953 -4.592 10.956 1.00 25.70 C ATOM 700 CG ASN B 9 -23.772 -3.426 11.484 1.00 31.22 C ATOM 701 OD1 ASN B 9 -23.310 -2.622 12.333 1.00 34.73 O ATOM 702 ND2 ASN B 9 -24.963 -3.289 10.947 1.00 34.64 N ATOM 0 H ASN B 9 -21.569 -2.747 10.062 1.00 23.93 H new ATOM 0 HA ASN B 9 -21.302 -4.316 12.115 1.00 24.81 H new ATOM 0 HB2 ASN B 9 -23.129 -4.704 10.009 1.00 25.70 H new ATOM 0 HB3 ASN B 9 -23.238 -5.408 11.395 1.00 25.70 H new ATOM 0 HD21 ASN B 9 -25.463 -2.627 11.173 1.00 34.64 H new ATOM 0 HD22 ASN B 9 -25.243 -3.861 10.369 1.00 34.64 H new ATOM 703 N LEU B 10 -20.445 -5.670 9.376 1.00 23.53 N ATOM 704 CA LEU B 10 -19.622 -6.751 8.802 1.00 24.42 C ATOM 705 C LEU B 10 -18.182 -6.776 9.311 1.00 23.58 C ATOM 706 O LEU B 10 -17.586 -7.838 9.448 1.00 24.45 O ATOM 707 CB LEU B 10 -19.664 -6.616 7.291 1.00 25.45 C ATOM 708 CG LEU B 10 -20.665 -7.467 6.509 1.00 30.00 C ATOM 709 CD1 LEU B 10 -21.734 -8.367 7.250 1.00 28.04 C ATOM 710 CD2 LEU B 10 -21.154 -6.889 5.195 1.00 26.74 C ATOM 0 H LEU B 10 -20.704 -5.080 8.807 1.00 23.53 H new ATOM 0 HA LEU B 10 -19.997 -7.598 9.089 1.00 24.42 H new ATOM 0 HB2 LEU B 10 -19.842 -5.685 7.083 1.00 25.45 H new ATOM 0 HB3 LEU B 10 -18.778 -6.818 6.952 1.00 25.45 H new ATOM 0 HG LEU B 10 -20.020 -8.159 6.296 1.00 30.00 H new ATOM 0 HD11 LEU B 10 -22.278 -8.830 6.594 1.00 28.04 H new ATOM 0 HD12 LEU B 10 -21.279 -9.016 7.809 1.00 28.04 H new ATOM 0 HD13 LEU B 10 -22.302 -7.807 7.802 1.00 28.04 H new ATOM 0 HD21 LEU B 10 -21.780 -7.505 4.784 1.00 26.74 H new ATOM 0 HD22 LEU B 10 -21.595 -6.041 5.359 1.00 26.74 H new ATOM 0 HD23 LEU B 10 -20.400 -6.751 4.601 1.00 26.74 H new HETATM 711 N MSE B 11 -17.625 -5.622 9.597 1.00 20.63 N HETATM 712 CA MSE B 11 -16.283 -5.574 10.173 1.00 23.07 C HETATM 713 C MSE B 11 -16.250 -5.936 11.657 1.00 23.28 C HETATM 714 O MSE B 11 -15.164 -6.023 12.254 1.00 22.58 O HETATM 715 CB MSE B 11 -15.686 -4.204 9.976 1.00 21.87 C HETATM 716 CG MSE B 11 -15.511 -3.808 8.525 1.00 23.59 C HETATM 717 SE MSE B 11 -14.003 -4.783 7.723 1.00 26.44 SE HETATM 718 CE MSE B 11 -12.674 -3.981 8.833 1.00 24.76 C HETATM 0 H MSE B 11 -17.995 -4.856 9.471 1.00 20.63 H new HETATM 0 HA MSE B 11 -15.759 -6.243 9.706 1.00 23.07 H new HETATM 0 HB2 MSE B 11 -16.252 -3.549 10.414 1.00 21.87 H new HETATM 0 HB3 MSE B 11 -14.822 -4.172 10.416 1.00 21.87 H new HETATM 0 HG2 MSE B 11 -16.325 -3.997 8.032 1.00 23.59 H new HETATM 0 HG3 MSE B 11 -15.356 -2.853 8.461 1.00 23.59 H new HETATM 0 HE1 MSE B 11 -11.801 -4.334 8.600 1.00 24.76 H new HETATM 0 HE2 MSE B 11 -12.679 -3.020 8.701 1.00 24.76 H new HETATM 0 HE3 MSE B 11 -12.865 -4.181 9.763 1.00 24.76 H new ATOM 719 N SER B 12 -17.414 -6.103 12.277 1.00 23.40 N ATOM 720 CA SER B 12 -17.520 -6.469 13.695 1.00 24.55 C ATOM 721 C SER B 12 -17.520 -7.957 13.955 1.00 26.44 C ATOM 722 O SER B 12 -17.454 -8.343 15.126 1.00 27.53 O ATOM 723 CB SER B 12 -18.816 -5.909 14.340 1.00 24.41 C ATOM 724 OG SER B 12 -18.857 -4.525 14.140 1.00 25.82 O ATOM 0 H SER B 12 -18.174 -6.007 11.886 1.00 23.40 H new ATOM 0 HA SER B 12 -16.725 -6.078 14.089 1.00 24.55 H new ATOM 0 HB2 SER B 12 -19.596 -6.329 13.945 1.00 24.41 H new ATOM 0 HB3 SER B 12 -18.834 -6.112 15.288 1.00 24.41 H new ATOM 0 HG SER B 12 -18.975 -4.363 13.324 1.00 25.82 H new ATOM 725 N GLN B 13 -17.586 -8.780 12.900 1.00 26.53 N ATOM 726 CA GLN B 13 -17.500 -10.235 13.063 1.00 28.28 C ATOM 727 C GLN B 13 -16.299 -10.776 12.288 1.00 28.55 C ATOM 728 O GLN B 13 -16.073 -10.407 11.137 1.00 27.04 O ATOM 729 CB GLN B 13 -18.741 -10.900 12.512 1.00 29.59 C ATOM 730 CG GLN B 13 -20.072 -10.382 13.129 1.00 33.27 C ATOM 731 CD GLN B 13 -21.093 -11.504 13.432 1.00 40.29 C ATOM 732 OE1 GLN B 13 -20.747 -12.429 14.324 1.00 43.53 O flip ATOM 733 NE2 GLN B 13 -22.177 -11.522 12.853 1.00 36.09 N flip ATOM 0 H GLN B 13 -17.680 -8.516 12.087 1.00 26.53 H new ATOM 0 HA GLN B 13 -17.410 -10.426 14.010 1.00 28.28 H new ATOM 0 HB2 GLN B 13 -18.768 -10.766 11.552 1.00 29.59 H new ATOM 0 HB3 GLN B 13 -18.677 -11.856 12.663 1.00 29.59 H new ATOM 0 HG2 GLN B 13 -19.875 -9.904 13.950 1.00 33.27 H new ATOM 0 HG3 GLN B 13 -20.475 -9.744 12.520 1.00 33.27 H new ATOM 0 HE21 GLN B 13 -22.370 -10.909 12.282 1.00 36.09 H new ATOM 0 HE22 GLN B 13 -22.743 -12.148 13.019 1.00 36.09 H new ATOM 734 N SER B 14 -15.559 -11.683 12.903 1.00 29.32 N ATOM 735 CA SER B 14 -14.258 -12.072 12.340 1.00 30.71 C ATOM 736 C SER B 14 -14.324 -12.593 10.890 1.00 28.59 C ATOM 737 O SER B 14 -13.467 -12.216 10.107 1.00 30.91 O ATOM 738 CB SER B 14 -13.553 -13.089 13.247 1.00 32.06 C ATOM 739 OG SER B 14 -14.280 -14.292 13.232 1.00 36.59 O ATOM 0 H SER B 14 -15.777 -12.083 13.632 1.00 29.32 H new ATOM 0 HA SER B 14 -13.738 -11.254 12.302 1.00 30.71 H new ATOM 0 HB2 SER B 14 -12.646 -13.241 12.939 1.00 32.06 H new ATOM 0 HB3 SER B 14 -13.491 -12.745 14.152 1.00 32.06 H new ATOM 0 HG SER B 14 -13.900 -14.856 13.725 1.00 36.59 H new ATOM 740 N ARG B 15 -15.269 -13.463 10.545 1.00 29.33 N ATOM 741 CA ARG B 15 -15.265 -14.110 9.192 1.00 28.62 C ATOM 742 C ARG B 15 -15.458 -13.055 8.109 1.00 28.17 C ATOM 743 O ARG B 15 -14.721 -13.010 7.123 1.00 28.15 O ATOM 744 CB ARG B 15 -16.330 -15.221 9.053 1.00 29.63 C ATOM 745 CG ARG B 15 -16.353 -15.971 7.671 1.00 32.12 C ATOM 746 CD ARG B 15 -15.200 -16.994 7.394 1.00 38.40 C ATOM 747 NE ARG B 15 -13.915 -16.349 7.206 1.00 41.74 N ATOM 748 CZ ARG B 15 -13.295 -16.164 6.029 1.00 39.12 C ATOM 749 NH1 ARG B 15 -13.802 -16.593 4.874 1.00 39.59 N ATOM 750 NH2 ARG B 15 -12.148 -15.530 6.033 1.00 39.22 N ATOM 0 H ARG B 15 -15.918 -13.701 11.056 1.00 29.33 H new ATOM 0 HA ARG B 15 -14.401 -14.537 9.085 1.00 28.62 H new ATOM 0 HB2 ARG B 15 -16.186 -15.875 9.755 1.00 29.63 H new ATOM 0 HB3 ARG B 15 -17.204 -14.829 9.205 1.00 29.63 H new ATOM 0 HG2 ARG B 15 -17.197 -16.443 7.599 1.00 32.12 H new ATOM 0 HG3 ARG B 15 -16.339 -15.304 6.967 1.00 32.12 H new ATOM 0 HD2 ARG B 15 -15.140 -17.617 8.135 1.00 38.40 H new ATOM 0 HD3 ARG B 15 -15.416 -17.513 6.604 1.00 38.40 H new ATOM 0 HE ARG B 15 -13.515 -16.059 7.910 1.00 41.74 H new ATOM 0 HH11 ARG B 15 -14.556 -17.007 4.863 1.00 39.59 H new ATOM 0 HH12 ARG B 15 -13.376 -16.456 4.140 1.00 39.59 H new ATOM 0 HH21 ARG B 15 -11.816 -15.247 6.774 1.00 39.22 H new ATOM 0 HH22 ARG B 15 -11.728 -15.397 5.295 1.00 39.22 H new ATOM 751 N THR B 16 -16.479 -12.212 8.272 1.00 26.58 N ATOM 752 CA THR B 16 -16.700 -11.131 7.287 1.00 24.44 C ATOM 753 C THR B 16 -15.577 -10.074 7.283 1.00 24.53 C ATOM 754 O THR B 16 -15.263 -9.523 6.211 1.00 23.71 O ATOM 755 CB THR B 16 -18.078 -10.489 7.388 1.00 26.91 C ATOM 756 OG1 THR B 16 -18.458 -10.271 8.756 1.00 22.76 O ATOM 757 CG2 THR B 16 -19.095 -11.400 6.710 1.00 26.70 C ATOM 0 H THR B 16 -17.042 -12.240 8.921 1.00 26.58 H new ATOM 0 HA THR B 16 -16.668 -11.575 6.425 1.00 24.44 H new ATOM 0 HB THR B 16 -18.051 -9.625 6.948 1.00 26.91 H new ATOM 0 HG1 THR B 16 -18.232 -9.497 8.990 1.00 22.76 H new ATOM 0 HG21 THR B 16 -19.977 -11.001 6.768 1.00 26.70 H new ATOM 0 HG22 THR B 16 -18.854 -11.517 5.778 1.00 26.70 H new ATOM 0 HG23 THR B 16 -19.102 -12.263 7.152 1.00 26.70 H new ATOM 758 N ARG B 17 -15.036 -9.745 8.453 1.00 23.49 N ATOM 759 CA ARG B 17 -13.919 -8.812 8.517 1.00 24.67 C ATOM 760 C ARG B 17 -12.748 -9.361 7.679 1.00 26.13 C ATOM 761 O ARG B 17 -12.147 -8.620 6.890 1.00 24.21 O ATOM 762 CB ARG B 17 -13.517 -8.546 9.950 1.00 24.38 C ATOM 763 CG ARG B 17 -12.306 -7.674 10.111 1.00 26.71 C ATOM 764 CD ARG B 17 -12.120 -7.414 11.569 1.00 30.98 C ATOM 765 NE ARG B 17 -10.904 -6.653 11.835 1.00 33.93 N ATOM 766 CZ ARG B 17 -10.518 -6.318 13.068 1.00 36.29 C ATOM 767 NH1 ARG B 17 -11.281 -6.622 14.104 1.00 37.54 N ATOM 768 NH2 ARG B 17 -9.406 -5.636 13.260 1.00 39.02 N ATOM 0 H ARG B 17 -15.299 -10.048 9.214 1.00 23.49 H new ATOM 0 HA ARG B 17 -14.188 -7.959 8.143 1.00 24.67 H new ATOM 0 HB2 ARG B 17 -14.263 -8.131 10.410 1.00 24.38 H new ATOM 0 HB3 ARG B 17 -13.350 -9.395 10.389 1.00 24.38 H new ATOM 0 HG2 ARG B 17 -11.522 -8.109 9.741 1.00 26.71 H new ATOM 0 HG3 ARG B 17 -12.421 -6.840 9.629 1.00 26.71 H new ATOM 0 HD2 ARG B 17 -12.887 -6.928 11.911 1.00 30.98 H new ATOM 0 HD3 ARG B 17 -12.084 -8.258 12.046 1.00 30.98 H new ATOM 0 HE ARG B 17 -10.416 -6.410 11.170 1.00 33.93 H new ATOM 0 HH11 ARG B 17 -12.025 -7.035 13.983 1.00 37.54 H new ATOM 0 HH12 ARG B 17 -11.033 -6.406 14.899 1.00 37.54 H new ATOM 0 HH21 ARG B 17 -8.923 -5.403 12.588 1.00 39.02 H new ATOM 0 HH22 ARG B 17 -9.164 -5.424 14.058 1.00 39.02 H new ATOM 769 N GLU B 18 -12.453 -10.646 7.851 1.00 26.07 N ATOM 770 CA GLU B 18 -11.407 -11.308 7.068 1.00 27.15 C ATOM 771 C GLU B 18 -11.641 -11.207 5.568 1.00 27.17 C ATOM 772 O GLU B 18 -10.720 -10.793 4.823 1.00 28.19 O ATOM 773 CB GLU B 18 -11.372 -12.761 7.455 1.00 28.66 C ATOM 774 CG GLU B 18 -10.635 -13.096 8.657 1.00 35.19 C ATOM 775 CD GLU B 18 -10.449 -14.600 8.701 1.00 42.34 C ATOM 776 OE1 GLU B 18 -11.465 -15.324 8.732 1.00 40.67 O ATOM 777 OE2 GLU B 18 -9.290 -15.050 8.618 1.00 48.56 O ATOM 0 H GLU B 18 -12.848 -11.157 8.419 1.00 26.07 H new ATOM 0 HA GLU B 18 -10.567 -10.863 7.261 1.00 27.15 H new ATOM 0 HB2 GLU B 18 -12.286 -13.067 7.565 1.00 28.66 H new ATOM 0 HB3 GLU B 18 -10.991 -13.262 6.717 1.00 28.66 H new ATOM 0 HG2 GLU B 18 -9.774 -12.649 8.660 1.00 35.19 H new ATOM 0 HG3 GLU B 18 -11.115 -12.792 9.443 1.00 35.19 H new ATOM 778 N ILE B 19 -12.849 -11.559 5.115 1.00 25.32 N ATOM 779 CA ILE B 19 -13.201 -11.520 3.714 1.00 24.40 C ATOM 780 C ILE B 19 -12.934 -10.100 3.203 1.00 23.78 C ATOM 781 O ILE B 19 -12.266 -9.904 2.192 1.00 23.81 O ATOM 782 CB ILE B 19 -14.673 -11.922 3.456 1.00 23.74 C ATOM 783 CG1 ILE B 19 -14.932 -13.390 3.804 1.00 24.74 C ATOM 784 CG2 ILE B 19 -15.056 -11.646 1.995 1.00 24.41 C ATOM 785 CD1 ILE B 19 -16.461 -13.775 3.646 1.00 24.40 C ATOM 0 H ILE B 19 -13.486 -11.828 5.626 1.00 25.32 H new ATOM 0 HA ILE B 19 -12.660 -12.169 3.238 1.00 24.40 H new ATOM 0 HB ILE B 19 -15.229 -11.380 4.038 1.00 23.74 H new ATOM 0 HG12 ILE B 19 -14.395 -13.958 3.229 1.00 24.74 H new ATOM 0 HG13 ILE B 19 -14.649 -13.561 4.716 1.00 24.74 H new ATOM 0 HG21 ILE B 19 -15.980 -11.903 1.848 1.00 24.41 H new ATOM 0 HG22 ILE B 19 -14.949 -10.701 1.805 1.00 24.41 H new ATOM 0 HG23 ILE B 19 -14.481 -12.160 1.407 1.00 24.41 H new ATOM 0 HD11 ILE B 19 -16.585 -14.710 3.875 1.00 24.40 H new ATOM 0 HD12 ILE B 19 -16.996 -13.224 4.238 1.00 24.40 H new ATOM 0 HD13 ILE B 19 -16.739 -13.627 2.728 1.00 24.40 H new ATOM 786 N LEU B 20 -13.417 -9.087 3.936 1.00 22.51 N ATOM 787 CA LEU B 20 -13.387 -7.734 3.420 1.00 22.90 C ATOM 788 C LEU B 20 -12.003 -7.089 3.412 1.00 23.65 C ATOM 789 O LEU B 20 -11.720 -6.266 2.557 1.00 23.55 O ATOM 790 CB LEU B 20 -14.444 -6.811 4.165 1.00 22.60 C ATOM 791 CG LEU B 20 -15.901 -7.189 3.990 1.00 24.25 C ATOM 792 CD1 LEU B 20 -16.712 -6.548 5.144 1.00 22.83 C ATOM 793 CD2 LEU B 20 -16.410 -6.687 2.693 1.00 24.70 C ATOM 0 H LEU B 20 -13.759 -9.170 4.721 1.00 22.51 H new ATOM 0 HA LEU B 20 -13.638 -7.813 2.486 1.00 22.90 H new ATOM 0 HB2 LEU B 20 -14.239 -6.816 5.113 1.00 22.60 H new ATOM 0 HB3 LEU B 20 -14.326 -5.900 3.854 1.00 22.60 H new ATOM 0 HG LEU B 20 -15.992 -8.155 4.005 1.00 24.25 H new ATOM 0 HD11 LEU B 20 -17.649 -6.779 5.049 1.00 22.83 H new ATOM 0 HD12 LEU B 20 -16.383 -6.879 5.994 1.00 22.83 H new ATOM 0 HD13 LEU B 20 -16.613 -5.584 5.113 1.00 22.83 H new ATOM 0 HD21 LEU B 20 -17.342 -6.935 2.593 1.00 24.70 H new ATOM 0 HD22 LEU B 20 -16.328 -5.721 2.665 1.00 24.70 H new ATOM 0 HD23 LEU B 20 -15.893 -7.076 1.970 1.00 24.70 H new ATOM 794 N THR B 21 -11.153 -7.476 4.363 1.00 23.03 N ATOM 795 CA THR B 21 -9.812 -6.910 4.494 1.00 25.47 C ATOM 796 C THR B 21 -8.803 -7.583 3.582 1.00 25.80 C ATOM 797 O THR B 21 -7.882 -6.919 3.130 1.00 25.81 O ATOM 798 CB THR B 21 -9.351 -7.025 5.944 1.00 26.09 C ATOM 799 OG1 THR B 21 -9.436 -8.396 6.337 1.00 33.16 O ATOM 800 CG2 THR B 21 -10.344 -6.250 6.862 1.00 25.26 C ATOM 0 H THR B 21 -11.339 -8.075 4.951 1.00 23.03 H new ATOM 0 HA THR B 21 -9.863 -5.979 4.227 1.00 25.47 H new ATOM 0 HB THR B 21 -8.449 -6.676 6.022 1.00 26.09 H new ATOM 0 HG1 THR B 21 -10.212 -8.561 6.612 1.00 33.16 H new ATOM 0 HG21 THR B 21 -10.054 -6.321 7.785 1.00 25.26 H new ATOM 0 HG22 THR B 21 -10.365 -5.316 6.601 1.00 25.26 H new ATOM 0 HG23 THR B 21 -11.232 -6.630 6.772 1.00 25.26 H new ATOM 801 N LYS B 22 -9.014 -8.867 3.333 1.00 26.15 N ATOM 802 CA LYS B 22 -8.045 -9.700 2.603 1.00 27.81 C ATOM 803 C LYS B 22 -8.301 -9.782 1.112 1.00 27.91 C ATOM 804 O LYS B 22 -7.372 -9.913 0.290 1.00 28.92 O ATOM 805 CB LYS B 22 -8.033 -11.100 3.217 1.00 27.54 C ATOM 806 CG LYS B 22 -7.519 -11.141 4.646 1.00 30.10 C ATOM 807 CD LYS B 22 -7.171 -12.595 5.030 1.00 34.21 C ATOM 808 CE LYS B 22 -7.450 -12.841 6.480 1.00 37.73 C ATOM 809 NZ LYS B 22 -6.305 -12.300 7.239 1.00 41.56 N ATOM 0 H LYS B 22 -9.722 -9.288 3.580 1.00 26.15 H new ATOM 0 HA LYS B 22 -7.179 -9.273 2.694 1.00 27.81 H new ATOM 0 HB2 LYS B 22 -8.933 -11.461 3.196 1.00 27.54 H new ATOM 0 HB3 LYS B 22 -7.482 -11.680 2.668 1.00 27.54 H new ATOM 0 HG2 LYS B 22 -6.735 -10.577 4.734 1.00 30.10 H new ATOM 0 HG3 LYS B 22 -8.190 -10.789 5.251 1.00 30.10 H new ATOM 0 HD2 LYS B 22 -7.689 -13.210 4.487 1.00 34.21 H new ATOM 0 HD3 LYS B 22 -6.235 -12.769 4.842 1.00 34.21 H new ATOM 0 HE2 LYS B 22 -8.275 -12.408 6.749 1.00 37.73 H new ATOM 0 HE3 LYS B 22 -7.558 -13.789 6.652 1.00 37.73 H new ATOM 0 HZ1 LYS B 22 -6.438 -12.430 8.109 1.00 41.56 H new ATOM 0 HZ2 LYS B 22 -5.559 -12.716 6.988 1.00 41.56 H new ATOM 0 HZ3 LYS B 22 -6.227 -11.428 7.078 1.00 41.56 H new ATOM 810 N THR B 23 -9.562 -9.755 0.730 1.00 27.07 N ATOM 811 CA THR B 23 -9.956 -9.977 -0.652 1.00 28.14 C ATOM 812 C THR B 23 -9.833 -8.691 -1.498 1.00 28.04 C ATOM 813 O THR B 23 -10.333 -7.639 -1.137 1.00 27.02 O ATOM 814 CB THR B 23 -11.355 -10.472 -0.709 1.00 27.36 C ATOM 815 OG1 THR B 23 -11.523 -11.560 0.252 1.00 29.07 O ATOM 816 CG2 THR B 23 -11.769 -10.883 -2.170 1.00 30.98 C ATOM 0 H THR B 23 -10.219 -9.607 1.264 1.00 27.07 H new ATOM 0 HA THR B 23 -9.354 -10.641 -1.023 1.00 28.14 H new ATOM 0 HB THR B 23 -11.957 -9.754 -0.460 1.00 27.36 H new ATOM 0 HG1 THR B 23 -11.784 -11.247 0.987 1.00 29.07 H new ATOM 0 HG21 THR B 23 -12.686 -11.200 -2.170 1.00 30.98 H new ATOM 0 HG22 THR B 23 -11.694 -10.114 -2.756 1.00 30.98 H new ATOM 0 HG23 THR B 23 -11.183 -11.588 -2.486 1.00 30.98 H new ATOM 817 N THR B 24 -9.131 -8.789 -2.618 1.00 27.52 N ATOM 818 CA THR B 24 -8.979 -7.632 -3.463 1.00 27.25 C ATOM 819 C THR B 24 -10.183 -7.524 -4.347 1.00 26.49 C ATOM 820 O THR B 24 -10.870 -8.518 -4.603 1.00 27.79 O ATOM 821 CB THR B 24 -7.691 -7.695 -4.309 1.00 28.59 C ATOM 822 OG1 THR B 24 -7.796 -8.740 -5.272 1.00 30.02 O ATOM 823 CG2 THR B 24 -6.518 -8.010 -3.397 1.00 28.37 C ATOM 0 H THR B 24 -8.744 -9.504 -2.898 1.00 27.52 H new ATOM 0 HA THR B 24 -8.903 -6.846 -2.900 1.00 27.25 H new ATOM 0 HB THR B 24 -7.562 -6.844 -4.756 1.00 28.59 H new ATOM 0 HG1 THR B 24 -7.050 -8.859 -5.639 1.00 30.02 H new ATOM 0 HG21 THR B 24 -5.703 -8.052 -3.921 1.00 28.37 H new ATOM 0 HG22 THR B 24 -6.435 -7.316 -2.725 1.00 28.37 H new ATOM 0 HG23 THR B 24 -6.666 -8.864 -2.962 1.00 28.37 H new ATOM 824 N VAL B 25 -10.428 -6.306 -4.827 1.00 26.53 N ATOM 825 CA VAL B 25 -11.541 -6.016 -5.711 1.00 26.64 C ATOM 826 C VAL B 25 -11.468 -6.883 -6.956 1.00 29.87 C ATOM 827 O VAL B 25 -12.494 -7.446 -7.423 1.00 30.46 O ATOM 828 CB VAL B 25 -11.526 -4.509 -6.047 1.00 27.57 C ATOM 829 CG1 VAL B 25 -12.291 -4.199 -7.249 1.00 27.21 C ATOM 830 CG2 VAL B 25 -12.150 -3.746 -4.869 1.00 26.52 C ATOM 0 H VAL B 25 -9.943 -5.620 -4.643 1.00 26.53 H new ATOM 0 HA VAL B 25 -12.382 -6.225 -5.275 1.00 26.64 H new ATOM 0 HB VAL B 25 -10.605 -4.248 -6.204 1.00 27.57 H new ATOM 0 HG11 VAL B 25 -12.253 -3.245 -7.420 1.00 27.21 H new ATOM 0 HG12 VAL B 25 -11.915 -4.677 -8.004 1.00 27.21 H new ATOM 0 HG13 VAL B 25 -13.214 -4.468 -7.123 1.00 27.21 H new ATOM 0 HG21 VAL B 25 -12.149 -2.795 -5.062 1.00 26.52 H new ATOM 0 HG22 VAL B 25 -13.062 -4.048 -4.735 1.00 26.52 H new ATOM 0 HG23 VAL B 25 -11.633 -3.912 -4.065 1.00 26.52 H new ATOM 831 N ASP B 26 -10.261 -6.991 -7.505 1.00 31.22 N ATOM 832 CA ASP B 26 -10.023 -7.809 -8.713 1.00 34.84 C ATOM 833 C ASP B 26 -10.441 -9.233 -8.577 1.00 36.17 C ATOM 834 O ASP B 26 -10.874 -9.831 -9.546 1.00 39.36 O ATOM 835 CB ASP B 26 -8.542 -7.840 -9.051 1.00 34.75 C ATOM 836 CG ASP B 26 -8.151 -6.740 -9.954 1.00 38.48 C ATOM 837 OD1 ASP B 26 -9.056 -6.136 -10.528 1.00 41.60 O ATOM 838 OD2 ASP B 26 -6.942 -6.464 -10.074 1.00 39.27 O ATOM 0 H ASP B 26 -9.559 -6.600 -7.198 1.00 31.22 H new ATOM 0 HA ASP B 26 -10.558 -7.385 -9.402 1.00 34.84 H new ATOM 0 HB2 ASP B 26 -8.024 -7.784 -8.233 1.00 34.75 H new ATOM 0 HB3 ASP B 26 -8.325 -8.689 -9.466 1.00 34.75 H new ATOM 839 N HIS B 27 -10.229 -9.805 -7.403 1.00 36.95 N ATOM 840 CA HIS B 27 -10.519 -11.202 -7.204 1.00 38.06 C ATOM 841 C HIS B 27 -12.050 -11.455 -7.064 1.00 38.73 C ATOM 842 O HIS B 27 -12.460 -12.617 -6.902 1.00 38.29 O ATOM 843 CB HIS B 27 -9.716 -11.753 -6.027 1.00 37.82 C ATOM 844 CG HIS B 27 -8.229 -11.871 -6.277 1.00 37.95 C ATOM 845 ND1 HIS B 27 -7.679 -11.854 -7.541 1.00 39.67 N ATOM 846 CD2 HIS B 27 -7.193 -12.031 -5.425 1.00 37.37 C ATOM 847 CE1 HIS B 27 -6.366 -11.970 -7.455 1.00 35.14 C ATOM 848 NE2 HIS B 27 -6.042 -12.080 -6.182 1.00 39.22 N ATOM 0 H HIS B 27 -9.918 -9.398 -6.712 1.00 36.95 H new ATOM 0 HA HIS B 27 -10.239 -11.691 -7.994 1.00 38.06 H new ATOM 0 HB2 HIS B 27 -9.858 -11.179 -5.258 1.00 37.82 H new ATOM 0 HB3 HIS B 27 -10.063 -12.629 -5.796 1.00 37.82 H new ATOM 0 HD2 HIS B 27 -7.246 -12.096 -4.499 1.00 37.37 H new ATOM 0 HE1 HIS B 27 -5.772 -11.973 -8.170 1.00 35.14 H new ATOM 0 HE2 HIS B 27 -5.244 -12.168 -5.874 1.00 39.22 H new HETATM 849 N MSE B 28 -12.877 -10.391 -7.158 1.00 39.01 N HETATM 850 CA MSE B 28 -14.303 -10.474 -6.790 1.00 39.29 C HETATM 851 C MSE B 28 -15.145 -11.141 -7.806 1.00 39.56 C HETATM 852 O MSE B 28 -16.001 -11.943 -7.449 1.00 39.66 O HETATM 853 CB MSE B 28 -14.941 -9.094 -6.546 1.00 40.92 C HETATM 854 CG MSE B 28 -14.775 -8.517 -5.174 1.00 41.88 C HETATM 855 SE MSE B 28 -15.876 -6.859 -5.114 1.00 41.25 SE HETATM 856 CE MSE B 28 -15.706 -6.453 -7.022 1.00 44.41 C HETATM 0 H MSE B 28 -12.628 -9.615 -7.433 1.00 39.01 H new HETATM 0 HA MSE B 28 -14.285 -10.999 -5.975 1.00 39.29 H new HETATM 0 HB2 MSE B 28 -14.567 -8.469 -7.186 1.00 40.92 H new HETATM 0 HB3 MSE B 28 -15.890 -9.160 -6.735 1.00 40.92 H new HETATM 0 HG2 MSE B 28 -15.066 -9.148 -4.497 1.00 41.88 H new HETATM 0 HG3 MSE B 28 -13.843 -8.318 -4.994 1.00 41.88 H new HETATM 0 HE1 MSE B 28 -16.193 -5.639 -7.225 1.00 44.41 H new HETATM 0 HE2 MSE B 28 -14.770 -6.333 -7.245 1.00 44.41 H new HETATM 0 HE3 MSE B 28 -16.071 -7.186 -7.543 1.00 44.41 H new ATOM 857 N ALA B 29 -14.947 -10.761 -9.060 1.00 38.45 N ATOM 858 CA ALA B 29 -15.594 -11.455 -10.152 1.00 39.47 C ATOM 859 C ALA B 29 -15.147 -12.889 -10.051 1.00 38.00 C ATOM 860 O ALA B 29 -15.966 -13.762 -10.210 1.00 39.32 O ATOM 861 CB ALA B 29 -15.211 -10.855 -11.495 1.00 38.67 C ATOM 0 H ALA B 29 -14.443 -10.105 -9.296 1.00 38.45 H new ATOM 0 HA ALA B 29 -16.559 -11.379 -10.092 1.00 39.47 H new ATOM 0 HB1 ALA B 29 -15.659 -11.340 -12.206 1.00 38.67 H new ATOM 0 HB2 ALA B 29 -15.479 -9.923 -11.521 1.00 38.67 H new ATOM 0 HB3 ALA B 29 -14.251 -10.919 -11.616 1.00 38.67 H new ATOM 862 N ILE B 30 -13.854 -13.113 -9.742 1.00 37.63 N ATOM 863 CA ILE B 30 -13.278 -14.473 -9.725 1.00 35.75 C ATOM 864 C ILE B 30 -14.036 -15.380 -8.730 1.00 35.07 C ATOM 865 O ILE B 30 -14.597 -16.428 -9.107 1.00 34.85 O ATOM 866 CB ILE B 30 -11.707 -14.474 -9.430 1.00 34.61 C ATOM 867 CG1 ILE B 30 -10.922 -13.614 -10.454 1.00 36.03 C ATOM 868 CG2 ILE B 30 -11.120 -15.869 -9.457 1.00 34.84 C ATOM 869 CD1 ILE B 30 -9.391 -13.469 -10.126 1.00 36.23 C ATOM 0 H ILE B 30 -13.296 -12.491 -9.540 1.00 37.63 H new ATOM 0 HA ILE B 30 -13.390 -14.837 -10.617 1.00 35.75 H new ATOM 0 HB ILE B 30 -11.616 -14.097 -8.541 1.00 34.61 H new ATOM 0 HG12 ILE B 30 -11.019 -14.008 -11.335 1.00 36.03 H new ATOM 0 HG13 ILE B 30 -11.320 -12.730 -10.493 1.00 36.03 H new ATOM 0 HG21 ILE B 30 -10.169 -15.824 -9.274 1.00 34.84 H new ATOM 0 HG22 ILE B 30 -11.553 -16.416 -8.783 1.00 34.84 H new ATOM 0 HG23 ILE B 30 -11.262 -16.263 -10.332 1.00 34.84 H new ATOM 0 HD11 ILE B 30 -8.965 -12.922 -10.804 1.00 36.23 H new ATOM 0 HD12 ILE B 30 -9.284 -13.049 -9.258 1.00 36.23 H new ATOM 0 HD13 ILE B 30 -8.978 -14.347 -10.113 1.00 36.23 H new ATOM 870 N ILE B 31 -14.037 -14.972 -7.468 1.00 34.96 N ATOM 871 CA ILE B 31 -14.787 -15.681 -6.419 1.00 34.73 C ATOM 872 C ILE B 31 -16.276 -15.744 -6.749 1.00 34.68 C ATOM 873 O ILE B 31 -16.885 -16.797 -6.626 1.00 33.51 O ATOM 874 CB ILE B 31 -14.598 -15.011 -5.062 1.00 34.45 C ATOM 875 CG1 ILE B 31 -13.168 -15.184 -4.582 1.00 35.76 C ATOM 876 CG2 ILE B 31 -15.632 -15.537 -4.045 1.00 35.41 C ATOM 877 CD1 ILE B 31 -12.581 -13.856 -3.965 1.00 34.84 C ATOM 0 H ILE B 31 -13.608 -14.281 -7.189 1.00 34.96 H new ATOM 0 HA ILE B 31 -14.436 -16.584 -6.379 1.00 34.73 H new ATOM 0 HB ILE B 31 -14.755 -14.058 -5.153 1.00 34.45 H new ATOM 0 HG12 ILE B 31 -13.135 -15.890 -3.917 1.00 35.76 H new ATOM 0 HG13 ILE B 31 -12.612 -15.467 -5.324 1.00 35.76 H new ATOM 0 HG21 ILE B 31 -15.496 -15.100 -3.190 1.00 35.41 H new ATOM 0 HG22 ILE B 31 -16.527 -15.347 -4.366 1.00 35.41 H new ATOM 0 HG23 ILE B 31 -15.523 -16.495 -3.939 1.00 35.41 H new ATOM 0 HD11 ILE B 31 -11.669 -14.010 -3.672 1.00 34.84 H new ATOM 0 HD12 ILE B 31 -12.590 -13.155 -4.636 1.00 34.84 H new ATOM 0 HD13 ILE B 31 -13.122 -13.584 -3.207 1.00 34.84 H new ATOM 878 N LYS B 32 -16.859 -14.603 -7.138 1.00 35.82 N ATOM 879 CA LYS B 32 -18.270 -14.560 -7.515 1.00 38.27 C ATOM 880 C LYS B 32 -18.641 -15.547 -8.630 1.00 38.07 C ATOM 881 O LYS B 32 -19.709 -16.160 -8.577 1.00 37.19 O ATOM 882 CB LYS B 32 -18.715 -13.133 -7.912 1.00 38.71 C ATOM 883 CG LYS B 32 -19.315 -12.280 -6.799 1.00 41.46 C ATOM 884 CD LYS B 32 -20.181 -11.103 -7.362 1.00 40.98 C ATOM 885 CE LYS B 32 -19.292 -9.883 -7.759 1.00 45.08 C ATOM 886 NZ LYS B 32 -20.013 -8.595 -8.084 1.00 44.88 N ATOM 0 H LYS B 32 -16.452 -13.847 -7.189 1.00 35.82 H new ATOM 0 HA LYS B 32 -18.749 -14.835 -6.718 1.00 38.27 H new ATOM 0 HB2 LYS B 32 -17.947 -12.664 -8.275 1.00 38.71 H new ATOM 0 HB3 LYS B 32 -19.367 -13.205 -8.626 1.00 38.71 H new ATOM 0 HG2 LYS B 32 -19.863 -12.838 -6.225 1.00 41.46 H new ATOM 0 HG3 LYS B 32 -18.602 -11.921 -6.248 1.00 41.46 H new ATOM 0 HD2 LYS B 32 -20.680 -11.408 -8.136 1.00 40.98 H new ATOM 0 HD3 LYS B 32 -20.830 -10.829 -6.696 1.00 40.98 H new ATOM 0 HE2 LYS B 32 -18.674 -9.709 -7.032 1.00 45.08 H new ATOM 0 HE3 LYS B 32 -18.759 -10.135 -8.530 1.00 45.08 H new ATOM 0 HZ1 LYS B 32 -19.419 -7.967 -8.296 1.00 44.88 H new ATOM 0 HZ2 LYS B 32 -20.562 -8.727 -8.772 1.00 44.88 H new ATOM 0 HZ3 LYS B 32 -20.483 -8.331 -7.376 1.00 44.88 H new ATOM 887 N LYS B 33 -17.758 -15.735 -9.620 1.00 37.71 N ATOM 888 CA LYS B 33 -18.054 -16.660 -10.713 1.00 38.85 C ATOM 889 C LYS B 33 -18.347 -18.066 -10.202 1.00 38.35 C ATOM 890 O LYS B 33 -19.237 -18.751 -10.722 1.00 38.41 O ATOM 891 CB LYS B 33 -16.920 -16.681 -11.746 1.00 39.25 C ATOM 892 CG LYS B 33 -17.159 -17.577 -12.948 1.00 41.33 C ATOM 893 CD LYS B 33 -15.967 -17.478 -13.920 1.00 40.47 C ATOM 894 CE LYS B 33 -16.162 -18.252 -15.238 1.00 40.98 C ATOM 895 NZ LYS B 33 -14.878 -18.326 -16.028 1.00 45.24 N ATOM 0 H LYS B 33 -16.995 -15.342 -9.674 1.00 37.71 H new ATOM 0 HA LYS B 33 -18.856 -16.335 -11.151 1.00 38.85 H new ATOM 0 HB2 LYS B 33 -16.771 -15.775 -12.060 1.00 39.25 H new ATOM 0 HB3 LYS B 33 -16.105 -16.966 -11.305 1.00 39.25 H new ATOM 0 HG2 LYS B 33 -17.276 -18.496 -12.659 1.00 41.33 H new ATOM 0 HG3 LYS B 33 -17.977 -17.316 -13.399 1.00 41.33 H new ATOM 0 HD2 LYS B 33 -15.807 -16.544 -14.126 1.00 40.47 H new ATOM 0 HD3 LYS B 33 -15.172 -17.811 -13.476 1.00 40.47 H new ATOM 0 HE2 LYS B 33 -16.477 -19.149 -15.045 1.00 40.98 H new ATOM 0 HE3 LYS B 33 -16.847 -17.819 -15.771 1.00 40.98 H new ATOM 0 HZ1 LYS B 33 -15.019 -18.777 -16.782 1.00 45.24 H new ATOM 0 HZ2 LYS B 33 -14.601 -17.503 -16.222 1.00 45.24 H new ATOM 0 HZ3 LYS B 33 -14.256 -18.742 -15.546 1.00 45.24 H new ATOM 896 N TYR B 34 -17.624 -18.478 -9.153 1.00 36.25 N ATOM 897 CA TYR B 34 -17.761 -19.813 -8.596 1.00 36.50 C ATOM 898 C TYR B 34 -18.536 -19.827 -7.293 1.00 37.95 C ATOM 899 O TYR B 34 -18.436 -20.747 -6.492 1.00 37.18 O ATOM 900 CB TYR B 34 -16.378 -20.466 -8.447 1.00 35.03 C ATOM 901 CG TYR B 34 -15.689 -20.607 -9.783 1.00 31.97 C ATOM 902 CD1 TYR B 34 -14.821 -19.627 -10.234 1.00 31.15 C ATOM 903 CD2 TYR B 34 -15.939 -21.688 -10.610 1.00 30.16 C ATOM 904 CE1 TYR B 34 -14.197 -19.742 -11.476 1.00 30.81 C ATOM 905 CE2 TYR B 34 -15.309 -21.805 -11.869 1.00 29.32 C ATOM 906 CZ TYR B 34 -14.448 -20.832 -12.277 1.00 29.23 C ATOM 907 OH TYR B 34 -13.792 -20.870 -13.484 1.00 30.92 O ATOM 0 H TYR B 34 -17.044 -17.987 -8.751 1.00 36.25 H new ATOM 0 HA TYR B 34 -18.286 -20.340 -9.219 1.00 36.50 H new ATOM 0 HB2 TYR B 34 -15.828 -19.932 -7.852 1.00 35.03 H new ATOM 0 HB3 TYR B 34 -16.473 -21.340 -8.036 1.00 35.03 H new ATOM 0 HD1 TYR B 34 -14.652 -18.883 -9.702 1.00 31.15 H new ATOM 0 HD2 TYR B 34 -16.532 -22.349 -10.332 1.00 30.16 H new ATOM 0 HE1 TYR B 34 -13.610 -19.080 -11.763 1.00 30.81 H new ATOM 0 HE2 TYR B 34 -15.481 -22.539 -12.414 1.00 29.32 H new ATOM 0 HH TYR B 34 -14.007 -21.568 -13.898 1.00 30.92 H new ATOM 908 N THR B 35 -19.314 -18.772 -7.100 1.00 40.23 N ATOM 909 CA THR B 35 -20.356 -18.749 -6.089 1.00 43.06 C ATOM 910 C THR B 35 -21.715 -18.867 -6.750 1.00 43.69 C ATOM 911 O THR B 35 -22.395 -19.883 -6.582 1.00 46.10 O ATOM 912 CB THR B 35 -20.324 -17.455 -5.330 1.00 43.39 C ATOM 913 OG1 THR B 35 -19.166 -17.458 -4.484 1.00 43.20 O ATOM 914 CG2 THR B 35 -21.619 -17.287 -4.495 1.00 44.15 C ATOM 0 H THR B 35 -19.251 -18.045 -7.555 1.00 40.23 H new ATOM 0 HA THR B 35 -20.204 -19.492 -5.484 1.00 43.06 H new ATOM 0 HB THR B 35 -20.275 -16.707 -5.946 1.00 43.39 H new ATOM 0 HG1 THR B 35 -18.486 -17.266 -4.939 1.00 43.20 H new ATOM 0 HG21 THR B 35 -21.585 -16.448 -4.010 1.00 44.15 H new ATOM 0 HG22 THR B 35 -22.388 -17.287 -5.086 1.00 44.15 H new ATOM 0 HG23 THR B 35 -21.696 -18.021 -3.865 1.00 44.15 H new TER 915 THR B 35 ATOM 916 N ASP C 685 -24.829 18.659 25.170 1.00 60.50 N ATOM 917 CA ASP C 685 -23.912 17.466 25.082 1.00 60.40 C ATOM 918 C ASP C 685 -23.619 16.800 26.439 1.00 60.09 C ATOM 919 O ASP C 685 -22.664 16.024 26.599 1.00 60.32 O ATOM 920 CB ASP C 685 -22.645 17.783 24.283 1.00 60.57 C ATOM 921 CG ASP C 685 -22.867 17.648 22.781 1.00 61.54 C ATOM 922 OD1 ASP C 685 -22.264 16.737 22.169 1.00 62.77 O ATOM 923 OD2 ASP C 685 -23.666 18.432 22.216 1.00 61.79 O ATOM 0 HA ASP C 685 -24.400 16.792 24.584 1.00 60.40 H new ATOM 0 HB2 ASP C 685 -22.353 18.686 24.486 1.00 60.57 H new ATOM 0 HB3 ASP C 685 -21.932 17.186 24.559 1.00 60.57 H new ATOM 924 N GLU C 686 -24.479 17.137 27.395 1.00 59.25 N ATOM 925 CA GLU C 686 -24.849 16.294 28.512 1.00 58.54 C ATOM 926 C GLU C 686 -25.606 15.095 27.939 1.00 58.06 C ATOM 927 O GLU C 686 -25.783 14.075 28.604 1.00 57.93 O ATOM 928 CB GLU C 686 -25.796 17.069 29.437 1.00 58.64 C ATOM 929 CG GLU C 686 -25.290 18.428 29.915 1.00 60.36 C ATOM 930 CD GLU C 686 -25.289 19.510 28.826 1.00 62.88 C ATOM 931 OE1 GLU C 686 -26.171 20.399 28.867 1.00 62.43 O ATOM 932 OE2 GLU C 686 -24.403 19.479 27.938 1.00 63.09 O ATOM 0 H GLU C 686 -24.878 17.899 27.406 1.00 59.25 H new ATOM 0 HA GLU C 686 -24.064 16.016 29.010 1.00 58.54 H new ATOM 0 HB2 GLU C 686 -26.638 17.201 28.974 1.00 58.64 H new ATOM 0 HB3 GLU C 686 -25.983 16.520 30.215 1.00 58.64 H new ATOM 0 HG2 GLU C 686 -25.842 18.727 30.655 1.00 60.36 H new ATOM 0 HG3 GLU C 686 -24.388 18.325 30.257 1.00 60.36 H new ATOM 933 N GLN C 687 -26.078 15.253 26.701 1.00 57.20 N ATOM 934 CA GLN C 687 -26.857 14.231 26.012 1.00 56.62 C ATOM 935 C GLN C 687 -25.996 13.100 25.429 1.00 55.48 C ATOM 936 O GLN C 687 -26.475 11.977 25.349 1.00 55.29 O ATOM 937 CB GLN C 687 -27.788 14.856 24.956 1.00 56.66 C ATOM 938 CG GLN C 687 -29.211 15.163 25.485 1.00 57.61 C ATOM 939 CD GLN C 687 -30.163 15.697 24.407 1.00 57.92 C ATOM 940 OE1 GLN C 687 -30.610 14.950 23.532 1.00 59.13 O ATOM 941 NE2 GLN C 687 -30.486 16.990 24.481 1.00 58.11 N ATOM 0 H GLN C 687 -25.952 15.965 26.236 1.00 57.20 H new ATOM 0 HA GLN C 687 -27.414 13.810 26.685 1.00 56.62 H new ATOM 0 HB2 GLN C 687 -27.389 15.678 24.630 1.00 56.66 H new ATOM 0 HB3 GLN C 687 -27.856 14.253 24.199 1.00 56.66 H new ATOM 0 HG2 GLN C 687 -29.587 14.355 25.867 1.00 57.61 H new ATOM 0 HG3 GLN C 687 -29.148 15.813 26.202 1.00 57.61 H new ATOM 0 HE21 GLN C 687 -30.155 17.481 25.105 1.00 58.11 H new ATOM 0 HE22 GLN C 687 -31.025 17.332 23.905 1.00 58.11 H new HETATM 942 N MSE C 688 -24.750 13.391 25.033 1.00 54.65 N HETATM 943 CA MSE C 688 -23.766 12.344 24.692 1.00 54.25 C HETATM 944 C MSE C 688 -23.492 11.508 25.937 1.00 53.29 C HETATM 945 O MSE C 688 -23.545 10.285 25.894 1.00 53.15 O HETATM 946 CB MSE C 688 -22.436 12.923 24.188 1.00 55.21 C HETATM 947 CG MSE C 688 -22.449 13.586 22.805 1.00 57.33 C HETATM 948 SE MSE C 688 -22.809 12.397 21.299 1.00 66.73 SE HETATM 949 CE MSE C 688 -23.569 13.685 20.024 1.00 60.28 C HETATM 0 H MSE C 688 -24.451 14.193 24.954 1.00 54.65 H new HETATM 0 HA MSE C 688 -24.144 11.809 23.976 1.00 54.25 H new HETATM 0 HB2 MSE C 688 -22.127 13.578 24.834 1.00 55.21 H new HETATM 0 HB3 MSE C 688 -21.781 12.208 24.174 1.00 55.21 H new HETATM 0 HG2 MSE C 688 -23.118 14.289 22.808 1.00 57.33 H new HETATM 0 HG3 MSE C 688 -21.590 14.012 22.661 1.00 57.33 H new HETATM 0 HE1 MSE C 688 -23.803 13.227 19.202 1.00 60.28 H new HETATM 0 HE2 MSE C 688 -24.364 14.089 20.407 1.00 60.28 H new HETATM 0 HE3 MSE C 688 -22.916 14.376 19.833 1.00 60.28 H new ATOM 950 N TYR C 689 -23.220 12.185 27.052 1.00 52.07 N ATOM 951 CA TYR C 689 -23.041 11.526 28.350 1.00 50.90 C ATOM 952 C TYR C 689 -24.296 10.759 28.753 1.00 49.90 C ATOM 953 O TYR C 689 -24.215 9.646 29.257 1.00 49.51 O ATOM 954 CB TYR C 689 -22.672 12.556 29.437 1.00 51.40 C ATOM 955 CG TYR C 689 -21.184 12.799 29.637 1.00 52.31 C ATOM 956 CD1 TYR C 689 -20.399 11.879 30.329 1.00 53.26 C ATOM 957 CD2 TYR C 689 -20.570 13.962 29.168 1.00 53.53 C ATOM 958 CE1 TYR C 689 -19.044 12.091 30.529 1.00 54.06 C ATOM 959 CE2 TYR C 689 -19.208 14.193 29.366 1.00 54.16 C ATOM 960 CZ TYR C 689 -18.455 13.247 30.048 1.00 54.40 C ATOM 961 OH TYR C 689 -17.117 13.448 30.261 1.00 53.97 O ATOM 0 H TYR C 689 -23.134 13.040 27.079 1.00 52.07 H new ATOM 0 HA TYR C 689 -22.312 10.892 28.263 1.00 50.90 H new ATOM 0 HB2 TYR C 689 -23.094 13.401 29.215 1.00 51.40 H new ATOM 0 HB3 TYR C 689 -23.051 12.262 30.280 1.00 51.40 H new ATOM 0 HD1 TYR C 689 -20.793 11.106 30.664 1.00 53.26 H new ATOM 0 HD2 TYR C 689 -21.079 14.595 28.715 1.00 53.53 H new ATOM 0 HE1 TYR C 689 -18.534 11.460 30.984 1.00 54.06 H new ATOM 0 HE2 TYR C 689 -18.810 14.970 29.045 1.00 54.16 H new ATOM 0 HH TYR C 689 -16.886 14.181 29.921 1.00 53.97 H new ATOM 962 N GLN C 690 -25.462 11.359 28.514 1.00 48.86 N ATOM 963 CA GLN C 690 -26.744 10.780 28.898 1.00 47.73 C ATOM 964 C GLN C 690 -27.019 9.490 28.137 1.00 46.50 C ATOM 965 O GLN C 690 -27.539 8.549 28.706 1.00 45.52 O ATOM 966 CB GLN C 690 -27.872 11.806 28.701 1.00 48.46 C ATOM 967 CG GLN C 690 -29.290 11.294 28.915 1.00 51.36 C ATOM 968 CD GLN C 690 -29.592 10.842 30.335 1.00 54.81 C ATOM 969 OE1 GLN C 690 -30.447 9.974 30.535 1.00 56.99 O ATOM 970 NE2 GLN C 690 -28.923 11.438 31.330 1.00 55.14 N ATOM 0 H GLN C 690 -25.529 12.121 28.121 1.00 48.86 H new ATOM 0 HA GLN C 690 -26.707 10.550 29.840 1.00 47.73 H new ATOM 0 HB2 GLN C 690 -27.720 12.547 29.309 1.00 48.46 H new ATOM 0 HB3 GLN C 690 -27.808 12.160 27.800 1.00 48.46 H new ATOM 0 HG2 GLN C 690 -29.915 11.995 28.672 1.00 51.36 H new ATOM 0 HG3 GLN C 690 -29.448 10.551 28.311 1.00 51.36 H new ATOM 0 HE21 GLN C 690 -28.334 12.039 31.153 1.00 55.14 H new ATOM 0 HE22 GLN C 690 -29.082 11.220 32.146 1.00 55.14 H new ATOM 971 N ARG C 691 -26.615 9.470 26.865 1.00 44.85 N ATOM 972 CA ARG C 691 -26.709 8.309 25.979 1.00 44.27 C ATOM 973 C ARG C 691 -25.934 7.109 26.537 1.00 42.63 C ATOM 974 O ARG C 691 -26.422 5.961 26.525 1.00 41.80 O ATOM 975 CB ARG C 691 -26.112 8.694 24.633 1.00 44.83 C ATOM 976 CG ARG C 691 -26.702 7.999 23.439 1.00 47.98 C ATOM 977 CD ARG C 691 -26.236 8.697 22.179 1.00 52.95 C ATOM 978 NE ARG C 691 -26.658 8.004 20.966 1.00 56.20 N ATOM 979 CZ ARG C 691 -26.242 8.324 19.743 1.00 57.95 C ATOM 980 NH1 ARG C 691 -25.388 9.329 19.572 1.00 57.68 N ATOM 981 NH2 ARG C 691 -26.675 7.631 18.690 1.00 58.58 N ATOM 0 H ARG C 691 -26.267 10.157 26.482 1.00 44.85 H new ATOM 0 HA ARG C 691 -27.641 8.053 25.897 1.00 44.27 H new ATOM 0 HB2 ARG C 691 -26.215 9.651 24.514 1.00 44.83 H new ATOM 0 HB3 ARG C 691 -25.160 8.512 24.656 1.00 44.83 H new ATOM 0 HG2 ARG C 691 -26.430 7.068 23.426 1.00 47.98 H new ATOM 0 HG3 ARG C 691 -27.671 8.011 23.490 1.00 47.98 H new ATOM 0 HD2 ARG C 691 -26.583 9.603 22.168 1.00 52.95 H new ATOM 0 HD3 ARG C 691 -25.268 8.764 22.189 1.00 52.95 H new ATOM 0 HE ARG C 691 -27.209 7.349 21.046 1.00 56.20 H new ATOM 0 HH11 ARG C 691 -25.104 9.773 20.252 1.00 57.68 H new ATOM 0 HH12 ARG C 691 -25.120 9.535 18.781 1.00 57.68 H new ATOM 0 HH21 ARG C 691 -27.223 6.978 18.801 1.00 58.58 H new ATOM 0 HH22 ARG C 691 -26.407 7.837 17.899 1.00 58.58 H new ATOM 982 N CYS C 692 -24.722 7.404 26.994 1.00 40.36 N ATOM 983 CA CYS C 692 -23.832 6.417 27.601 1.00 38.69 C ATOM 984 C CYS C 692 -24.430 5.838 28.883 1.00 38.18 C ATOM 985 O CYS C 692 -24.414 4.627 29.068 1.00 35.68 O ATOM 986 CB CYS C 692 -22.445 7.005 27.812 1.00 38.76 C ATOM 987 SG CYS C 692 -21.649 7.470 26.253 1.00 37.64 S ATOM 0 H CYS C 692 -24.387 8.195 26.960 1.00 40.36 H new ATOM 0 HA CYS C 692 -23.735 5.672 26.988 1.00 38.69 H new ATOM 0 HB2 CYS C 692 -22.511 7.785 28.384 1.00 38.76 H new ATOM 0 HB3 CYS C 692 -21.890 6.359 28.276 1.00 38.76 H new ATOM 0 HG CYS C 692 -22.133 8.489 25.845 1.00 37.64 H new ATOM 988 N CYS C 693 -24.992 6.696 29.743 1.00 38.42 N ATOM 989 CA CYS C 693 -25.659 6.241 30.977 1.00 39.62 C ATOM 990 C CYS C 693 -26.856 5.338 30.785 1.00 38.72 C ATOM 991 O CYS C 693 -26.966 4.311 31.468 1.00 39.25 O ATOM 992 CB CYS C 693 -26.160 7.437 31.775 1.00 40.79 C ATOM 993 SG CYS C 693 -24.875 8.143 32.646 1.00 47.90 S ATOM 0 H CYS C 693 -24.999 7.549 29.632 1.00 38.42 H new ATOM 0 HA CYS C 693 -24.970 5.729 31.430 1.00 39.62 H new ATOM 0 HB2 CYS C 693 -26.553 8.092 31.177 1.00 40.79 H new ATOM 0 HB3 CYS C 693 -26.859 7.157 32.387 1.00 40.79 H new ATOM 0 HG CYS C 693 -24.131 8.696 31.884 1.00 47.90 H new ATOM 994 N ASN C 694 -27.762 5.742 29.895 1.00 37.97 N ATOM 995 CA ASN C 694 -28.911 4.944 29.535 1.00 38.06 C ATOM 996 C ASN C 694 -28.464 3.580 29.036 1.00 36.68 C ATOM 997 O ASN C 694 -29.112 2.583 29.314 1.00 37.99 O ATOM 998 CB ASN C 694 -29.755 5.612 28.434 1.00 38.04 C ATOM 999 CG ASN C 694 -30.491 6.862 28.915 1.00 40.69 C ATOM 1000 OD1 ASN C 694 -30.448 7.227 30.090 1.00 42.41 O ATOM 1001 ND2 ASN C 694 -31.160 7.523 27.993 1.00 40.50 N ATOM 0 H ASN C 694 -27.719 6.496 29.484 1.00 37.97 H new ATOM 0 HA ASN C 694 -29.455 4.855 30.333 1.00 38.06 H new ATOM 0 HB2 ASN C 694 -29.178 5.849 27.691 1.00 38.04 H new ATOM 0 HB3 ASN C 694 -30.402 4.972 28.097 1.00 38.04 H new ATOM 0 HD21 ASN C 694 -31.588 8.239 28.203 1.00 40.50 H new ATOM 0 HD22 ASN C 694 -31.168 7.239 27.181 1.00 40.50 H new ATOM 1002 N LEU C 695 -27.366 3.540 28.285 1.00 36.40 N ATOM 1003 CA LEU C 695 -26.917 2.249 27.728 1.00 33.46 C ATOM 1004 C LEU C 695 -26.315 1.399 28.845 1.00 33.41 C ATOM 1005 O LEU C 695 -26.588 0.202 28.982 1.00 31.53 O ATOM 1006 CB LEU C 695 -25.937 2.430 26.551 1.00 33.81 C ATOM 1007 CG LEU C 695 -25.557 1.070 25.934 1.00 31.93 C ATOM 1008 CD1 LEU C 695 -26.786 0.244 25.533 1.00 31.26 C ATOM 1009 CD2 LEU C 695 -24.649 1.269 24.756 1.00 34.72 C ATOM 0 H LEU C 695 -26.877 4.219 28.087 1.00 36.40 H new ATOM 0 HA LEU C 695 -27.687 1.787 27.361 1.00 33.46 H new ATOM 0 HB2 LEU C 695 -26.341 2.995 25.874 1.00 33.81 H new ATOM 0 HB3 LEU C 695 -25.137 2.884 26.859 1.00 33.81 H new ATOM 0 HG LEU C 695 -25.089 0.566 26.618 1.00 31.93 H new ATOM 0 HD11 LEU C 695 -26.498 -0.600 25.151 1.00 31.26 H new ATOM 0 HD12 LEU C 695 -27.332 0.074 26.317 1.00 31.26 H new ATOM 0 HD13 LEU C 695 -27.306 0.735 24.877 1.00 31.26 H new ATOM 0 HD21 LEU C 695 -24.417 0.407 24.377 1.00 34.72 H new ATOM 0 HD22 LEU C 695 -25.101 1.806 24.086 1.00 34.72 H new ATOM 0 HD23 LEU C 695 -23.841 1.723 25.043 1.00 34.72 H new ATOM 1010 N PHE C 696 -25.497 2.032 29.656 1.00 32.67 N ATOM 1011 CA PHE C 696 -24.980 1.367 30.858 1.00 34.42 C ATOM 1012 C PHE C 696 -26.060 0.689 31.693 1.00 35.53 C ATOM 1013 O PHE C 696 -25.864 -0.435 32.179 1.00 34.13 O ATOM 1014 CB PHE C 696 -24.217 2.358 31.723 1.00 33.47 C ATOM 1015 CG PHE C 696 -23.421 1.693 32.820 1.00 34.85 C ATOM 1016 CD1 PHE C 696 -22.113 1.300 32.590 1.00 31.68 C ATOM 1017 CD2 PHE C 696 -23.990 1.465 34.082 1.00 34.58 C ATOM 1018 CE1 PHE C 696 -21.356 0.684 33.600 1.00 33.56 C ATOM 1019 CE2 PHE C 696 -23.246 0.857 35.088 1.00 33.71 C ATOM 1020 CZ PHE C 696 -21.933 0.469 34.850 1.00 31.72 C ATOM 0 H PHE C 696 -25.224 2.839 29.541 1.00 32.67 H new ATOM 0 HA PHE C 696 -24.387 0.667 30.542 1.00 34.42 H new ATOM 0 HB2 PHE C 696 -23.617 2.874 31.162 1.00 33.47 H new ATOM 0 HB3 PHE C 696 -24.844 2.984 32.119 1.00 33.47 H new ATOM 0 HD1 PHE C 696 -21.731 1.446 31.755 1.00 31.68 H new ATOM 0 HD2 PHE C 696 -24.869 1.722 34.247 1.00 34.58 H new ATOM 0 HE1 PHE C 696 -20.479 0.422 33.436 1.00 33.56 H new ATOM 0 HE2 PHE C 696 -23.629 0.710 35.923 1.00 33.71 H new ATOM 0 HZ PHE C 696 -21.439 0.065 35.526 1.00 31.72 H new ATOM 1021 N GLU C 697 -27.207 1.352 31.867 1.00 37.84 N ATOM 1022 CA GLU C 697 -28.308 0.769 32.643 1.00 39.18 C ATOM 1023 C GLU C 697 -28.912 -0.471 32.017 1.00 39.41 C ATOM 1024 O GLU C 697 -29.586 -1.254 32.707 1.00 40.08 O ATOM 1025 CB GLU C 697 -29.414 1.792 32.885 1.00 39.80 C ATOM 1026 CG GLU C 697 -28.894 3.166 33.266 1.00 45.29 C ATOM 1027 CD GLU C 697 -29.071 3.485 34.722 1.00 50.19 C ATOM 1028 OE1 GLU C 697 -29.879 4.396 35.019 1.00 49.63 O ATOM 1029 OE2 GLU C 697 -28.410 2.827 35.560 1.00 52.56 O ATOM 0 H GLU C 697 -27.367 2.134 31.547 1.00 37.84 H new ATOM 0 HA GLU C 697 -27.907 0.501 33.485 1.00 39.18 H new ATOM 0 HB2 GLU C 697 -29.954 1.869 32.083 1.00 39.80 H new ATOM 0 HB3 GLU C 697 -29.997 1.468 33.590 1.00 39.80 H new ATOM 0 HG2 GLU C 697 -27.952 3.222 33.041 1.00 45.29 H new ATOM 0 HG3 GLU C 697 -29.353 3.837 32.736 1.00 45.29 H new ATOM 1030 N LYS C 698 -28.692 -0.672 30.716 1.00 37.81 N ATOM 1031 CA LYS C 698 -29.100 -1.913 30.091 1.00 36.37 C ATOM 1032 C LYS C 698 -28.159 -3.057 30.465 1.00 34.34 C ATOM 1033 O LYS C 698 -28.572 -4.210 30.422 1.00 34.26 O ATOM 1034 CB LYS C 698 -29.182 -1.757 28.571 1.00 36.10 C ATOM 1035 CG LYS C 698 -30.186 -0.695 28.142 1.00 40.02 C ATOM 1036 CD LYS C 698 -30.382 -0.665 26.642 1.00 45.85 C ATOM 1037 CE LYS C 698 -31.590 0.193 26.257 1.00 50.97 C ATOM 1038 NZ LYS C 698 -31.696 0.432 24.762 1.00 55.37 N ATOM 0 H LYS C 698 -28.313 -0.106 30.191 1.00 37.81 H new ATOM 0 HA LYS C 698 -29.984 -2.133 30.423 1.00 36.37 H new ATOM 0 HB2 LYS C 698 -28.305 -1.526 28.226 1.00 36.10 H new ATOM 0 HB3 LYS C 698 -29.428 -2.608 28.175 1.00 36.10 H new ATOM 0 HG2 LYS C 698 -31.038 -0.864 28.574 1.00 40.02 H new ATOM 0 HG3 LYS C 698 -29.882 0.175 28.444 1.00 40.02 H new ATOM 0 HD2 LYS C 698 -29.584 -0.314 26.216 1.00 45.85 H new ATOM 0 HD3 LYS C 698 -30.506 -1.569 26.312 1.00 45.85 H new ATOM 0 HE2 LYS C 698 -32.400 -0.240 26.568 1.00 50.97 H new ATOM 0 HE3 LYS C 698 -31.532 1.047 26.713 1.00 50.97 H new ATOM 0 HZ1 LYS C 698 -32.110 1.205 24.613 1.00 55.37 H new ATOM 0 HZ2 LYS C 698 -30.880 0.460 24.407 1.00 55.37 H new ATOM 0 HZ3 LYS C 698 -32.159 -0.229 24.388 1.00 55.37 H new ATOM 1039 N PHE C 699 -26.926 -2.731 30.850 1.00 33.53 N ATOM 1040 CA PHE C 699 -25.959 -3.729 31.357 1.00 33.62 C ATOM 1041 C PHE C 699 -26.036 -3.913 32.854 1.00 34.35 C ATOM 1042 O PHE C 699 -25.743 -4.998 33.351 1.00 34.91 O ATOM 1043 CB PHE C 699 -24.520 -3.402 30.951 1.00 31.44 C ATOM 1044 CG PHE C 699 -24.320 -3.433 29.477 1.00 29.81 C ATOM 1045 CD1 PHE C 699 -23.938 -4.615 28.861 1.00 28.58 C ATOM 1046 CD2 PHE C 699 -24.601 -2.312 28.702 1.00 27.61 C ATOM 1047 CE1 PHE C 699 -23.803 -4.696 27.502 1.00 29.53 C ATOM 1048 CE2 PHE C 699 -24.456 -2.375 27.350 1.00 27.39 C ATOM 1049 CZ PHE C 699 -24.074 -3.551 26.742 1.00 27.74 C ATOM 0 H PHE C 699 -26.619 -1.928 30.828 1.00 33.53 H new ATOM 0 HA PHE C 699 -26.216 -4.566 30.939 1.00 33.62 H new ATOM 0 HB2 PHE C 699 -24.284 -2.523 31.287 1.00 31.44 H new ATOM 0 HB3 PHE C 699 -23.917 -4.037 31.369 1.00 31.44 H new ATOM 0 HD1 PHE C 699 -23.770 -5.367 29.382 1.00 28.58 H new ATOM 0 HD2 PHE C 699 -24.886 -1.524 29.105 1.00 27.61 H new ATOM 0 HE1 PHE C 699 -23.539 -5.489 27.094 1.00 29.53 H new ATOM 0 HE2 PHE C 699 -24.616 -1.619 26.833 1.00 27.39 H new ATOM 0 HZ PHE C 699 -23.995 -3.585 25.816 1.00 27.74 H new ATOM 1050 N PHE C 700 -26.444 -2.853 33.560 1.00 36.12 N ATOM 1051 CA PHE C 700 -26.498 -2.905 35.027 1.00 37.84 C ATOM 1052 C PHE C 700 -27.787 -2.255 35.513 1.00 39.36 C ATOM 1053 O PHE C 700 -27.771 -1.136 36.026 1.00 38.17 O ATOM 1054 CB PHE C 700 -25.252 -2.246 35.629 1.00 37.21 C ATOM 1055 CG PHE C 700 -23.946 -2.915 35.229 1.00 37.88 C ATOM 1056 CD1 PHE C 700 -23.451 -4.008 35.945 1.00 37.13 C ATOM 1057 CD2 PHE C 700 -23.222 -2.456 34.127 1.00 37.39 C ATOM 1058 CE1 PHE C 700 -22.238 -4.625 35.564 1.00 38.05 C ATOM 1059 CE2 PHE C 700 -22.013 -3.060 33.738 1.00 35.97 C ATOM 1060 CZ PHE C 700 -21.527 -4.146 34.465 1.00 37.01 C ATOM 0 H PHE C 700 -26.690 -2.105 33.215 1.00 36.12 H new ATOM 0 HA PHE C 700 -26.502 -3.828 35.324 1.00 37.84 H new ATOM 0 HB2 PHE C 700 -25.225 -1.316 35.356 1.00 37.21 H new ATOM 0 HB3 PHE C 700 -25.327 -2.256 36.596 1.00 37.21 H new ATOM 0 HD1 PHE C 700 -23.923 -4.332 36.678 1.00 37.13 H new ATOM 0 HD2 PHE C 700 -23.547 -1.734 33.639 1.00 37.39 H new ATOM 0 HE1 PHE C 700 -21.914 -5.351 36.047 1.00 38.05 H new ATOM 0 HE2 PHE C 700 -21.542 -2.738 33.003 1.00 35.97 H new ATOM 0 HZ PHE C 700 -20.728 -4.551 34.216 1.00 37.01 H new ATOM 1061 N PRO C 701 -28.922 -2.955 35.308 1.00 40.99 N ATOM 1062 CA PRO C 701 -30.218 -2.409 35.678 1.00 43.02 C ATOM 1063 C PRO C 701 -30.394 -2.435 37.185 1.00 44.72 C ATOM 1064 O PRO C 701 -29.678 -3.153 37.881 1.00 45.01 O ATOM 1065 CB PRO C 701 -31.203 -3.363 34.997 1.00 42.62 C ATOM 1066 CG PRO C 701 -30.499 -4.655 34.963 1.00 41.90 C ATOM 1067 CD PRO C 701 -29.047 -4.297 34.710 1.00 40.96 C ATOM 0 HA PRO C 701 -30.338 -1.484 35.410 1.00 43.02 H new ATOM 0 HB2 PRO C 701 -32.034 -3.426 35.493 1.00 42.62 H new ATOM 0 HB3 PRO C 701 -31.428 -3.060 34.104 1.00 42.62 H new ATOM 0 HG2 PRO C 701 -30.603 -5.135 35.800 1.00 41.90 H new ATOM 0 HG3 PRO C 701 -30.848 -5.228 34.262 1.00 41.90 H new ATOM 0 HD2 PRO C 701 -28.444 -4.932 35.126 1.00 40.96 H new ATOM 0 HD3 PRO C 701 -28.840 -4.288 33.762 1.00 40.96 H new ATOM 1068 N SER C 702 -31.343 -1.647 37.682 1.00 46.97 N ATOM 1069 CA SER C 702 -31.626 -1.605 39.118 1.00 48.66 C ATOM 1070 C SER C 702 -32.167 -2.947 39.589 1.00 49.64 C ATOM 1071 O SER C 702 -32.009 -3.318 40.759 1.00 50.51 O ATOM 1072 CB SER C 702 -32.636 -0.505 39.419 1.00 48.83 C ATOM 1073 OG SER C 702 -33.719 -0.581 38.509 1.00 50.43 O ATOM 0 H SER C 702 -31.836 -1.128 37.206 1.00 46.97 H new ATOM 0 HA SER C 702 -30.801 -1.416 39.592 1.00 48.66 H new ATOM 0 HB2 SER C 702 -32.961 -0.594 40.329 1.00 48.83 H new ATOM 0 HB3 SER C 702 -32.209 0.364 39.354 1.00 48.83 H new ATOM 0 HG SER C 702 -34.273 0.027 38.681 1.00 50.43 H new ATOM 1074 N SER C 703 -32.793 -3.675 38.669 1.00 50.19 N ATOM 1075 CA SER C 703 -33.345 -5.004 38.954 1.00 51.34 C ATOM 1076 C SER C 703 -32.273 -6.094 39.152 1.00 52.21 C ATOM 1077 O SER C 703 -32.598 -7.273 39.401 1.00 52.66 O ATOM 1078 CB SER C 703 -34.296 -5.412 37.836 1.00 51.29 C ATOM 1079 OG SER C 703 -33.618 -5.479 36.594 1.00 49.82 O ATOM 0 H SER C 703 -32.912 -3.414 37.858 1.00 50.19 H new ATOM 0 HA SER C 703 -33.817 -4.931 39.798 1.00 51.34 H new ATOM 0 HB2 SER C 703 -34.690 -6.274 38.040 1.00 51.29 H new ATOM 0 HB3 SER C 703 -35.024 -4.774 37.777 1.00 51.29 H new ATOM 0 HG SER C 703 -34.158 -5.706 35.992 1.00 49.82 H new ATOM 1080 N SER C 704 -31.005 -5.702 39.038 1.00 53.28 N ATOM 1081 CA SER C 704 -29.889 -6.646 39.185 1.00 54.02 C ATOM 1082 C SER C 704 -29.034 -6.357 40.417 1.00 54.26 C ATOM 1083 O SER C 704 -28.819 -5.201 40.776 1.00 54.19 O ATOM 1084 CB SER C 704 -29.022 -6.658 37.918 1.00 53.70 C ATOM 1085 OG SER C 704 -27.846 -7.428 38.113 1.00 54.92 O ATOM 0 H SER C 704 -30.766 -4.892 38.875 1.00 53.28 H new ATOM 0 HA SER C 704 -30.278 -7.525 39.312 1.00 54.02 H new ATOM 0 HB2 SER C 704 -29.531 -7.022 37.177 1.00 53.70 H new ATOM 0 HB3 SER C 704 -28.782 -5.749 37.678 1.00 53.70 H new ATOM 0 HG SER C 704 -27.188 -6.915 38.209 1.00 54.92 H new ATOM 1086 N TYR C 705 -28.572 -7.426 41.064 1.00 54.94 N ATOM 1087 CA TYR C 705 -27.663 -7.337 42.207 1.00 55.53 C ATOM 1088 C TYR C 705 -26.223 -7.496 41.738 1.00 55.47 C ATOM 1089 O TYR C 705 -25.284 -7.202 42.480 1.00 55.55 O ATOM 1090 CB TYR C 705 -27.981 -8.417 43.247 1.00 56.51 C ATOM 1091 CG TYR C 705 -27.746 -9.829 42.749 1.00 56.88 C ATOM 1092 CD1 TYR C 705 -26.501 -10.441 42.890 1.00 57.91 C ATOM 1093 CD2 TYR C 705 -28.778 -10.558 42.142 1.00 59.23 C ATOM 1094 CE1 TYR C 705 -26.278 -11.739 42.426 1.00 58.56 C ATOM 1095 CE2 TYR C 705 -28.567 -11.868 41.682 1.00 58.61 C ATOM 1096 CZ TYR C 705 -27.315 -12.445 41.829 1.00 58.10 C ATOM 1097 OH TYR C 705 -27.102 -13.725 41.374 1.00 57.63 O ATOM 0 H TYR C 705 -28.780 -8.232 40.849 1.00 54.94 H new ATOM 0 HA TYR C 705 -27.780 -6.466 42.618 1.00 55.53 H new ATOM 0 HB2 TYR C 705 -27.437 -8.266 44.036 1.00 56.51 H new ATOM 0 HB3 TYR C 705 -28.907 -8.329 43.520 1.00 56.51 H new ATOM 0 HD1 TYR C 705 -25.807 -9.977 43.300 1.00 57.91 H new ATOM 0 HD2 TYR C 705 -29.616 -10.168 42.042 1.00 59.23 H new ATOM 0 HE1 TYR C 705 -25.439 -12.129 42.516 1.00 58.56 H new ATOM 0 HE2 TYR C 705 -29.260 -12.343 41.283 1.00 58.61 H new ATOM 0 HH TYR C 705 -27.812 -14.026 41.040 1.00 57.63 H new ATOM 1098 N ARG C 706 -26.049 -7.994 40.516 1.00 55.33 N ATOM 1099 CA ARG C 706 -24.733 -7.980 39.868 1.00 54.64 C ATOM 1100 C ARG C 706 -24.369 -6.528 39.558 1.00 53.90 C ATOM 1101 O ARG C 706 -24.847 -5.955 38.568 1.00 54.18 O ATOM 1102 CB ARG C 706 -24.756 -8.818 38.589 1.00 55.24 C ATOM 1103 CG ARG C 706 -24.550 -10.301 38.813 1.00 56.49 C ATOM 1104 CD ARG C 706 -25.405 -11.141 37.857 1.00 59.21 C ATOM 1105 NE ARG C 706 -26.820 -11.137 38.234 1.00 60.45 N ATOM 1106 CZ ARG C 706 -27.632 -12.197 38.169 1.00 61.92 C ATOM 1107 NH1 ARG C 706 -27.180 -13.382 37.761 1.00 62.51 N ATOM 1108 NH2 ARG C 706 -28.907 -12.075 38.528 1.00 62.04 N ATOM 0 H ARG C 706 -26.677 -8.344 40.044 1.00 55.33 H new ATOM 0 HA ARG C 706 -24.067 -8.367 40.458 1.00 54.64 H new ATOM 0 HB2 ARG C 706 -25.606 -8.684 38.142 1.00 55.24 H new ATOM 0 HB3 ARG C 706 -24.066 -8.493 37.989 1.00 55.24 H new ATOM 0 HG2 ARG C 706 -23.613 -10.521 38.688 1.00 56.49 H new ATOM 0 HG3 ARG C 706 -24.774 -10.525 39.730 1.00 56.49 H new ATOM 0 HD2 ARG C 706 -25.311 -10.797 36.955 1.00 59.21 H new ATOM 0 HD3 ARG C 706 -25.077 -12.054 37.849 1.00 59.21 H new ATOM 0 HE ARG C 706 -27.154 -10.397 38.519 1.00 60.45 H new ATOM 0 HH11 ARG C 706 -26.355 -13.473 37.535 1.00 62.51 H new ATOM 0 HH12 ARG C 706 -27.713 -14.056 37.724 1.00 62.51 H new ATOM 0 HH21 ARG C 706 -29.206 -11.316 38.801 1.00 62.04 H new ATOM 0 HH22 ARG C 706 -29.432 -12.755 38.487 1.00 62.04 H new ATOM 1109 N ARG C 707 -23.564 -5.927 40.431 1.00 52.52 N ATOM 1110 CA ARG C 707 -23.148 -4.542 40.259 1.00 51.37 C ATOM 1111 C ARG C 707 -21.746 -4.416 39.642 1.00 49.71 C ATOM 1112 O ARG C 707 -20.896 -5.282 39.851 1.00 49.60 O ATOM 1113 CB ARG C 707 -23.244 -3.769 41.585 1.00 52.22 C ATOM 1114 CG ARG C 707 -24.643 -3.739 42.231 1.00 52.76 C ATOM 1115 CD ARG C 707 -25.785 -3.405 41.237 1.00 55.82 C ATOM 1116 NE ARG C 707 -26.123 -1.983 41.168 1.00 57.65 N ATOM 1117 CZ ARG C 707 -27.260 -1.453 41.621 1.00 59.78 C ATOM 1118 NH1 ARG C 707 -28.193 -2.226 42.174 1.00 61.65 N ATOM 1119 NH2 ARG C 707 -27.476 -0.146 41.522 1.00 59.25 N ATOM 0 H ARG C 707 -23.247 -6.309 41.133 1.00 52.52 H new ATOM 0 HA ARG C 707 -23.765 -4.142 39.626 1.00 51.37 H new ATOM 0 HB2 ARG C 707 -22.621 -4.161 42.217 1.00 52.22 H new ATOM 0 HB3 ARG C 707 -22.955 -2.856 41.431 1.00 52.22 H new ATOM 0 HG2 ARG C 707 -24.821 -4.602 42.637 1.00 52.76 H new ATOM 0 HG3 ARG C 707 -24.646 -3.083 42.946 1.00 52.76 H new ATOM 0 HD2 ARG C 707 -25.530 -3.710 40.352 1.00 55.82 H new ATOM 0 HD3 ARG C 707 -26.577 -3.904 41.491 1.00 55.82 H new ATOM 0 HE ARG C 707 -25.549 -1.452 40.811 1.00 57.65 H new ATOM 0 HH11 ARG C 707 -28.065 -3.074 42.241 1.00 61.65 H new ATOM 0 HH12 ARG C 707 -28.924 -1.877 42.464 1.00 61.65 H new ATOM 0 HH21 ARG C 707 -26.881 0.362 41.165 1.00 59.25 H new ATOM 0 HH22 ARG C 707 -28.210 0.192 41.815 1.00 59.25 H new ATOM 1120 N PRO C 708 -21.510 -3.326 38.881 1.00 48.10 N ATOM 1121 CA PRO C 708 -20.257 -3.068 38.152 1.00 46.63 C ATOM 1122 C PRO C 708 -19.089 -2.762 39.073 1.00 45.51 C ATOM 1123 O PRO C 708 -19.304 -2.202 40.144 1.00 45.85 O ATOM 1124 CB PRO C 708 -20.588 -1.818 37.327 1.00 46.93 C ATOM 1125 CG PRO C 708 -21.722 -1.154 38.084 1.00 47.63 C ATOM 1126 CD PRO C 708 -22.509 -2.255 38.679 1.00 47.74 C ATOM 0 HA PRO C 708 -19.983 -3.841 37.634 1.00 46.63 H new ATOM 0 HB2 PRO C 708 -19.820 -1.230 37.253 1.00 46.93 H new ATOM 0 HB3 PRO C 708 -20.855 -2.051 36.424 1.00 46.93 H new ATOM 0 HG2 PRO C 708 -21.381 -0.560 38.771 1.00 47.63 H new ATOM 0 HG3 PRO C 708 -22.269 -0.617 37.490 1.00 47.63 H new ATOM 0 HD2 PRO C 708 -22.920 -1.988 39.516 1.00 47.74 H new ATOM 0 HD3 PRO C 708 -23.225 -2.541 38.090 1.00 47.74 H new ATOM 1127 N VAL C 709 -17.860 -3.094 38.678 1.00 44.10 N ATOM 1128 CA VAL C 709 -16.735 -2.686 39.525 1.00 42.61 C ATOM 1129 C VAL C 709 -16.441 -1.216 39.294 1.00 41.97 C ATOM 1130 O VAL C 709 -16.391 -0.731 38.142 1.00 41.65 O ATOM 1131 CB VAL C 709 -15.447 -3.624 39.504 1.00 42.94 C ATOM 1132 CG1 VAL C 709 -15.798 -5.092 39.245 1.00 41.33 C ATOM 1133 CG2 VAL C 709 -14.352 -3.121 38.609 1.00 44.64 C ATOM 0 H VAL C 709 -17.660 -3.530 37.964 1.00 44.10 H new ATOM 0 HA VAL C 709 -17.025 -2.812 40.442 1.00 42.61 H new ATOM 0 HB VAL C 709 -15.080 -3.582 40.401 1.00 42.94 H new ATOM 0 HG11 VAL C 709 -14.986 -5.623 39.241 1.00 41.33 H new ATOM 0 HG12 VAL C 709 -16.390 -5.412 39.944 1.00 41.33 H new ATOM 0 HG13 VAL C 709 -16.241 -5.172 38.386 1.00 41.33 H new ATOM 0 HG21 VAL C 709 -13.601 -3.734 38.641 1.00 44.64 H new ATOM 0 HG22 VAL C 709 -14.680 -3.060 37.698 1.00 44.64 H new ATOM 0 HG23 VAL C 709 -14.066 -2.244 38.909 1.00 44.64 H new ATOM 1134 N GLY C 710 -16.315 -0.500 40.410 1.00 40.45 N ATOM 1135 CA GLY C 710 -16.114 0.940 40.413 1.00 40.01 C ATOM 1136 C GLY C 710 -14.888 1.471 39.664 1.00 39.22 C ATOM 1137 O GLY C 710 -14.959 2.519 39.042 1.00 39.50 O ATOM 0 H GLY C 710 -16.345 -0.846 41.197 1.00 40.45 H new ATOM 0 HA2 GLY C 710 -16.903 1.356 40.032 1.00 40.01 H new ATOM 0 HA3 GLY C 710 -16.055 1.235 41.335 1.00 40.01 H new ATOM 1138 N ILE C 711 -13.770 0.766 39.707 1.00 39.28 N ATOM 1139 CA ILE C 711 -12.563 1.280 39.060 1.00 39.40 C ATOM 1140 C ILE C 711 -12.490 0.982 37.554 1.00 38.66 C ATOM 1141 O ILE C 711 -11.630 1.497 36.857 1.00 39.56 O ATOM 1142 CB ILE C 711 -11.276 0.771 39.736 1.00 40.69 C ATOM 1143 CG1 ILE C 711 -11.382 -0.741 40.017 1.00 41.45 C ATOM 1144 CG2 ILE C 711 -11.000 1.606 40.986 1.00 41.28 C ATOM 1145 CD1 ILE C 711 -10.042 -1.447 40.183 1.00 45.72 C ATOM 0 H ILE C 711 -13.683 0.004 40.095 1.00 39.28 H new ATOM 0 HA ILE C 711 -12.627 2.242 39.168 1.00 39.40 H new ATOM 0 HB ILE C 711 -10.514 0.880 39.145 1.00 40.69 H new ATOM 0 HG12 ILE C 711 -11.906 -0.873 40.822 1.00 41.45 H new ATOM 0 HG13 ILE C 711 -11.868 -1.160 39.290 1.00 41.45 H new ATOM 0 HG21 ILE C 711 -10.190 1.289 41.415 1.00 41.28 H new ATOM 0 HG22 ILE C 711 -10.890 2.537 40.736 1.00 41.28 H new ATOM 0 HG23 ILE C 711 -11.745 1.523 41.602 1.00 41.28 H new ATOM 0 HD11 ILE C 711 -10.192 -2.390 40.356 1.00 45.72 H new ATOM 0 HD12 ILE C 711 -9.520 -1.347 39.371 1.00 45.72 H new ATOM 0 HD13 ILE C 711 -9.559 -1.055 40.927 1.00 45.72 H new ATOM 1146 N SER C 712 -13.372 0.120 37.088 1.00 38.01 N ATOM 1147 CA SER C 712 -13.483 -0.244 35.683 1.00 36.94 C ATOM 1148 C SER C 712 -14.016 0.933 34.853 1.00 34.67 C ATOM 1149 O SER C 712 -14.923 1.656 35.302 1.00 34.15 O ATOM 1150 CB SER C 712 -14.433 -1.446 35.567 1.00 37.28 C ATOM 1151 OG SER C 712 -14.646 -1.804 34.222 1.00 42.70 O ATOM 0 H SER C 712 -13.941 -0.283 37.591 1.00 38.01 H new ATOM 0 HA SER C 712 -12.606 -0.475 35.339 1.00 36.94 H new ATOM 0 HB2 SER C 712 -14.062 -2.201 36.050 1.00 37.28 H new ATOM 0 HB3 SER C 712 -15.282 -1.231 35.985 1.00 37.28 H new ATOM 0 HG SER C 712 -15.144 -2.479 34.187 1.00 42.70 H new ATOM 1152 N SER C 713 -13.473 1.108 33.653 1.00 32.86 N ATOM 1153 CA SER C 713 -14.099 1.991 32.658 1.00 31.17 C ATOM 1154 C SER C 713 -15.481 1.479 32.344 1.00 31.13 C ATOM 1155 O SER C 713 -15.753 0.277 32.451 1.00 30.44 O ATOM 1156 CB SER C 713 -13.277 2.086 31.372 1.00 31.88 C ATOM 1157 OG SER C 713 -13.359 0.855 30.660 1.00 30.37 O ATOM 0 H SER C 713 -12.747 0.730 33.391 1.00 32.86 H new ATOM 0 HA SER C 713 -14.146 2.883 33.036 1.00 31.17 H new ATOM 0 HB2 SER C 713 -13.606 2.812 30.820 1.00 31.88 H new ATOM 0 HB3 SER C 713 -12.352 2.287 31.583 1.00 31.88 H new ATOM 0 HG SER C 713 -12.908 0.909 29.953 1.00 30.37 H new HETATM 1158 N MSE C 714 -16.366 2.391 31.943 1.00 29.96 N HETATM 1159 CA MSE C 714 -17.719 2.032 31.573 1.00 29.72 C HETATM 1160 C MSE C 714 -17.706 0.887 30.560 1.00 28.02 C HETATM 1161 O MSE C 714 -18.450 -0.093 30.719 1.00 27.08 O HETATM 1162 CB MSE C 714 -18.435 3.254 31.009 1.00 30.47 C HETATM 1163 CG MSE C 714 -18.818 4.248 32.128 1.00 28.56 C HETATM 1164 SE MSE C 714 -19.605 5.814 31.260 1.00 36.31 SE HETATM 1165 CE MSE C 714 -21.308 5.089 31.093 1.00 31.73 C HETATM 0 H MSE C 714 -16.193 3.231 31.880 1.00 29.96 H new HETATM 0 HA MSE C 714 -18.198 1.728 32.360 1.00 29.72 H new HETATM 0 HB2 MSE C 714 -17.863 3.697 30.363 1.00 30.47 H new HETATM 0 HB3 MSE C 714 -19.234 2.973 30.536 1.00 30.47 H new HETATM 0 HG2 MSE C 714 -19.449 3.844 32.744 1.00 28.56 H new HETATM 0 HG3 MSE C 714 -18.037 4.499 32.646 1.00 28.56 H new HETATM 0 HE1 MSE C 714 -21.893 5.733 30.664 1.00 31.73 H new HETATM 0 HE2 MSE C 714 -21.265 4.283 30.555 1.00 31.73 H new HETATM 0 HE3 MSE C 714 -21.655 4.872 31.972 1.00 31.73 H new ATOM 1166 N VAL C 715 -16.892 1.057 29.524 1.00 26.74 N ATOM 1167 CA VAL C 715 -16.816 0.044 28.449 1.00 26.95 C ATOM 1168 C VAL C 715 -16.340 -1.303 28.966 1.00 27.46 C ATOM 1169 O VAL C 715 -16.939 -2.336 28.645 1.00 26.72 O ATOM 1170 CB VAL C 715 -16.098 0.481 27.133 1.00 26.64 C ATOM 1171 CG1 VAL C 715 -14.607 0.788 27.333 1.00 28.13 C ATOM 1172 CG2 VAL C 715 -16.369 -0.600 26.028 1.00 25.52 C ATOM 0 H VAL C 715 -16.378 1.738 29.416 1.00 26.74 H new ATOM 0 HA VAL C 715 -17.737 -0.056 28.163 1.00 26.95 H new ATOM 0 HB VAL C 715 -16.470 1.326 26.837 1.00 26.64 H new ATOM 0 HG11 VAL C 715 -14.215 1.053 26.486 1.00 28.13 H new ATOM 0 HG12 VAL C 715 -14.508 1.509 27.974 1.00 28.13 H new ATOM 0 HG13 VAL C 715 -14.155 -0.004 27.665 1.00 28.13 H new ATOM 0 HG21 VAL C 715 -15.927 -0.339 25.205 1.00 25.52 H new ATOM 0 HG22 VAL C 715 -16.024 -1.457 26.322 1.00 25.52 H new ATOM 0 HG23 VAL C 715 -17.324 -0.673 25.873 1.00 25.52 H new ATOM 1173 N GLU C 716 -15.270 -1.318 29.752 1.00 27.42 N ATOM 1174 CA GLU C 716 -14.794 -2.622 30.249 1.00 29.45 C ATOM 1175 C GLU C 716 -15.855 -3.337 31.106 1.00 28.99 C ATOM 1176 O GLU C 716 -16.094 -4.530 30.929 1.00 29.31 O ATOM 1177 CB GLU C 716 -13.405 -2.535 30.876 1.00 30.02 C ATOM 1178 CG GLU C 716 -13.316 -1.936 32.196 1.00 36.61 C ATOM 1179 CD GLU C 716 -11.885 -1.841 32.651 1.00 41.43 C ATOM 1180 OE1 GLU C 716 -11.416 -0.684 32.753 1.00 44.23 O ATOM 1181 OE2 GLU C 716 -11.247 -2.920 32.848 1.00 41.94 O ATOM 0 H GLU C 716 -14.820 -0.629 30.003 1.00 27.42 H new ATOM 0 HA GLU C 716 -14.670 -3.203 29.482 1.00 29.45 H new ATOM 0 HB2 GLU C 716 -13.040 -3.432 30.926 1.00 30.02 H new ATOM 0 HB3 GLU C 716 -12.834 -2.030 30.276 1.00 30.02 H new ATOM 0 HG2 GLU C 716 -13.713 -1.051 32.181 1.00 36.61 H new ATOM 0 HG3 GLU C 716 -13.826 -2.465 32.830 1.00 36.61 H new ATOM 1182 N ALA C 717 -16.555 -2.592 31.969 1.00 28.58 N ATOM 1183 CA ALA C 717 -17.679 -3.140 32.741 1.00 28.58 C ATOM 1184 C ALA C 717 -18.777 -3.756 31.893 1.00 27.70 C ATOM 1185 O ALA C 717 -19.242 -4.871 32.155 1.00 28.27 O ATOM 1186 CB ALA C 717 -18.290 -2.039 33.682 1.00 29.45 C ATOM 0 H ALA C 717 -16.394 -1.761 32.123 1.00 28.58 H new ATOM 0 HA ALA C 717 -17.303 -3.863 33.267 1.00 28.58 H new ATOM 0 HB1 ALA C 717 -19.030 -2.416 34.184 1.00 29.45 H new ATOM 0 HB2 ALA C 717 -17.609 -1.725 34.297 1.00 29.45 H new ATOM 0 HB3 ALA C 717 -18.609 -1.296 33.146 1.00 29.45 H new HETATM 1187 N MSE C 718 -19.190 -3.037 30.870 1.00 27.45 N HETATM 1188 CA MSE C 718 -20.271 -3.456 30.051 1.00 27.45 C HETATM 1189 C MSE C 718 -19.881 -4.667 29.246 1.00 24.40 C HETATM 1190 O MSE C 718 -20.644 -5.607 29.149 1.00 24.70 O HETATM 1191 CB MSE C 718 -20.672 -2.314 29.132 1.00 26.78 C HETATM 1192 CG MSE C 718 -20.912 -1.019 29.981 1.00 27.71 C HETATM 1193 SE MSE C 718 -20.925 0.615 28.869 1.00 39.21 SE HETATM 1194 CE MSE C 718 -22.516 0.136 28.376 1.00 15.88 C HETATM 0 H MSE C 718 -18.840 -2.286 30.639 1.00 27.45 H new HETATM 0 HA MSE C 718 -21.025 -3.697 30.611 1.00 27.45 H new HETATM 0 HB2 MSE C 718 -19.977 -2.157 28.474 1.00 26.78 H new HETATM 0 HB3 MSE C 718 -21.478 -2.546 28.644 1.00 26.78 H new HETATM 0 HG2 MSE C 718 -21.757 -1.095 30.451 1.00 27.71 H new HETATM 0 HG3 MSE C 718 -20.219 -0.944 30.655 1.00 27.71 H new HETATM 0 HE1 MSE C 718 -22.872 0.788 27.752 1.00 15.88 H new HETATM 0 HE2 MSE C 718 -22.474 -0.733 27.946 1.00 15.88 H new HETATM 0 HE3 MSE C 718 -23.094 0.084 29.153 1.00 15.88 H new ATOM 1195 N VAL C 719 -18.688 -4.656 28.651 1.00 24.18 N ATOM 1196 CA VAL C 719 -18.273 -5.844 27.874 1.00 24.56 C ATOM 1197 C VAL C 719 -18.150 -7.073 28.807 1.00 25.24 C ATOM 1198 O VAL C 719 -18.588 -8.187 28.460 1.00 24.64 O ATOM 1199 CB VAL C 719 -16.957 -5.632 27.139 1.00 21.96 C ATOM 1200 CG1 VAL C 719 -16.480 -6.942 26.473 1.00 25.20 C ATOM 1201 CG2 VAL C 719 -17.137 -4.533 26.053 1.00 24.24 C ATOM 0 H VAL C 719 -18.123 -4.008 28.676 1.00 24.18 H new ATOM 0 HA VAL C 719 -18.960 -5.998 27.206 1.00 24.56 H new ATOM 0 HB VAL C 719 -16.288 -5.352 27.783 1.00 21.96 H new ATOM 0 HG11 VAL C 719 -15.642 -6.784 26.011 1.00 25.20 H new ATOM 0 HG12 VAL C 719 -16.351 -7.622 27.152 1.00 25.20 H new ATOM 0 HG13 VAL C 719 -17.147 -7.243 25.837 1.00 25.20 H new ATOM 0 HG21 VAL C 719 -16.298 -4.399 25.586 1.00 24.24 H new ATOM 0 HG22 VAL C 719 -17.818 -4.811 25.421 1.00 24.24 H new ATOM 0 HG23 VAL C 719 -17.408 -3.702 26.475 1.00 24.24 H new ATOM 1202 N SER C 720 -17.557 -6.878 29.983 1.00 27.05 N ATOM 1203 CA SER C 720 -17.401 -7.990 30.935 1.00 28.14 C ATOM 1204 C SER C 720 -18.762 -8.599 31.288 1.00 28.68 C ATOM 1205 O SER C 720 -18.956 -9.819 31.201 1.00 27.48 O ATOM 1206 CB SER C 720 -16.593 -7.552 32.173 1.00 29.29 C ATOM 1207 OG SER C 720 -16.519 -8.610 33.123 1.00 34.06 O ATOM 0 H SER C 720 -17.241 -6.124 30.251 1.00 27.05 H new ATOM 0 HA SER C 720 -16.886 -8.694 30.511 1.00 28.14 H new ATOM 0 HB2 SER C 720 -15.699 -7.288 31.905 1.00 29.29 H new ATOM 0 HB3 SER C 720 -17.009 -6.775 32.578 1.00 29.29 H new ATOM 0 HG SER C 720 -16.075 -8.357 33.790 1.00 34.06 H new ATOM 1208 N ARG C 721 -19.727 -7.739 31.627 1.00 28.19 N ATOM 1209 CA ARG C 721 -21.123 -8.135 31.852 1.00 28.83 C ATOM 1210 C ARG C 721 -21.773 -8.806 30.639 1.00 28.55 C ATOM 1211 O ARG C 721 -22.389 -9.846 30.784 1.00 27.73 O ATOM 1212 CB ARG C 721 -21.968 -6.953 32.372 1.00 28.83 C ATOM 1213 CG ARG C 721 -23.489 -7.299 32.673 1.00 30.82 C ATOM 1214 CD ARG C 721 -23.537 -8.361 33.814 1.00 35.43 C ATOM 1215 NE ARG C 721 -24.865 -8.888 34.145 1.00 39.85 N ATOM 1216 CZ ARG C 721 -25.731 -8.345 35.006 1.00 42.31 C ATOM 1217 NH1 ARG C 721 -25.461 -7.202 35.626 1.00 40.62 N ATOM 1218 NH2 ARG C 721 -26.897 -8.955 35.241 1.00 45.29 N ATOM 0 H ARG C 721 -19.587 -6.897 31.734 1.00 28.19 H new ATOM 0 HA ARG C 721 -21.099 -8.814 32.544 1.00 28.83 H new ATOM 0 HB2 ARG C 721 -21.560 -6.614 33.184 1.00 28.83 H new ATOM 0 HB3 ARG C 721 -21.936 -6.237 31.718 1.00 28.83 H new ATOM 0 HG2 ARG C 721 -23.971 -6.499 32.936 1.00 30.82 H new ATOM 0 HG3 ARG C 721 -23.921 -7.641 31.875 1.00 30.82 H new ATOM 0 HD2 ARG C 721 -22.966 -9.105 33.564 1.00 35.43 H new ATOM 0 HD3 ARG C 721 -23.156 -7.967 34.614 1.00 35.43 H new ATOM 0 HE ARG C 721 -25.108 -9.612 33.749 1.00 39.85 H new ATOM 0 HH11 ARG C 721 -24.717 -6.797 35.476 1.00 40.62 H new ATOM 0 HH12 ARG C 721 -26.030 -6.867 36.177 1.00 40.62 H new ATOM 0 HH21 ARG C 721 -27.086 -9.692 34.839 1.00 45.29 H new ATOM 0 HH22 ARG C 721 -27.459 -8.611 35.794 1.00 45.29 H new ATOM 1219 N ALA C 722 -21.608 -8.270 29.428 1.00 27.03 N ATOM 1220 CA ALA C 722 -22.276 -8.897 28.269 1.00 26.75 C ATOM 1221 C ALA C 722 -21.739 -10.314 28.048 1.00 26.26 C ATOM 1222 O ALA C 722 -22.478 -11.204 27.697 1.00 25.94 O ATOM 1223 CB ALA C 722 -22.014 -8.076 27.002 1.00 27.45 C ATOM 0 H ALA C 722 -21.135 -7.573 29.253 1.00 27.03 H new ATOM 0 HA ALA C 722 -23.228 -8.931 28.452 1.00 26.75 H new ATOM 0 HB1 ALA C 722 -22.456 -8.495 26.247 1.00 27.45 H new ATOM 0 HB2 ALA C 722 -22.360 -7.178 27.121 1.00 27.45 H new ATOM 0 HB3 ALA C 722 -21.059 -8.035 26.835 1.00 27.45 H new ATOM 1224 N ARG C 723 -20.436 -10.495 28.232 1.00 25.83 N ATOM 1225 CA ARG C 723 -19.814 -11.840 28.076 1.00 26.52 C ATOM 1226 C ARG C 723 -20.304 -12.839 29.122 1.00 27.77 C ATOM 1227 O ARG C 723 -20.669 -13.947 28.777 1.00 27.88 O ATOM 1228 CB ARG C 723 -18.292 -11.762 28.168 1.00 26.78 C ATOM 1229 CG ARG C 723 -17.597 -11.283 26.872 1.00 27.15 C ATOM 1230 CD ARG C 723 -16.133 -10.988 27.113 1.00 31.51 C ATOM 1231 NE ARG C 723 -15.483 -10.749 25.823 1.00 27.30 N ATOM 1232 CZ ARG C 723 -14.358 -10.079 25.620 1.00 31.54 C ATOM 1233 NH1 ARG C 723 -13.677 -9.502 26.630 1.00 26.98 N ATOM 1234 NH2 ARG C 723 -13.926 -9.996 24.372 1.00 30.25 N ATOM 0 H ARG C 723 -19.887 -9.869 28.446 1.00 25.83 H new ATOM 0 HA ARG C 723 -20.082 -12.150 27.197 1.00 26.52 H new ATOM 0 HB2 ARG C 723 -18.053 -11.161 28.891 1.00 26.78 H new ATOM 0 HB3 ARG C 723 -17.948 -12.638 28.402 1.00 26.78 H new ATOM 0 HG2 ARG C 723 -17.684 -11.963 26.185 1.00 27.15 H new ATOM 0 HG3 ARG C 723 -18.040 -10.486 26.540 1.00 27.15 H new ATOM 0 HD2 ARG C 723 -16.037 -10.212 27.687 1.00 31.51 H new ATOM 0 HD3 ARG C 723 -15.711 -11.733 27.569 1.00 31.51 H new ATOM 0 HE ARG C 723 -15.870 -11.076 25.128 1.00 27.30 H new ATOM 0 HH11 ARG C 723 -13.970 -9.563 27.436 1.00 26.98 H new ATOM 0 HH12 ARG C 723 -12.949 -9.073 26.468 1.00 26.98 H new ATOM 0 HH21 ARG C 723 -14.371 -10.368 23.737 1.00 30.25 H new ATOM 0 HH22 ARG C 723 -13.200 -9.570 24.196 1.00 30.25 H new ATOM 1235 N ILE C 724 -20.309 -12.433 30.387 1.00 29.63 N ATOM 1236 CA ILE C 724 -20.897 -13.274 31.470 1.00 30.96 C ATOM 1237 C ILE C 724 -22.351 -13.670 31.144 1.00 30.26 C ATOM 1238 O ILE C 724 -22.724 -14.826 31.200 1.00 29.77 O ATOM 1239 CB ILE C 724 -20.843 -12.560 32.898 1.00 32.14 C ATOM 1240 CG1 ILE C 724 -19.413 -12.200 33.330 1.00 34.48 C ATOM 1241 CG2 ILE C 724 -21.398 -13.471 33.979 1.00 31.69 C ATOM 1242 CD1 ILE C 724 -18.392 -13.199 32.975 1.00 39.35 C ATOM 0 H ILE C 724 -19.984 -11.683 30.654 1.00 29.63 H new ATOM 0 HA ILE C 724 -20.350 -14.074 31.516 1.00 30.96 H new ATOM 0 HB ILE C 724 -21.371 -11.752 32.800 1.00 32.14 H new ATOM 0 HG12 ILE C 724 -19.171 -11.351 32.928 1.00 34.48 H new ATOM 0 HG13 ILE C 724 -19.402 -12.072 34.291 1.00 34.48 H new ATOM 0 HG21 ILE C 724 -21.356 -13.019 34.836 1.00 31.69 H new ATOM 0 HG22 ILE C 724 -22.320 -13.691 33.775 1.00 31.69 H new ATOM 0 HG23 ILE C 724 -20.873 -14.285 34.017 1.00 31.69 H new ATOM 0 HD11 ILE C 724 -17.523 -12.897 33.282 1.00 39.35 H new ATOM 0 HD12 ILE C 724 -18.607 -14.046 33.397 1.00 39.35 H new ATOM 0 HD13 ILE C 724 -18.373 -13.314 32.012 1.00 39.35 H new ATOM 1243 N ASP C 725 -23.163 -12.682 30.807 1.00 30.20 N ATOM 1244 CA ASP C 725 -24.563 -12.887 30.445 1.00 29.69 C ATOM 1245 C ASP C 725 -24.733 -13.774 29.220 1.00 28.95 C ATOM 1246 O ASP C 725 -25.634 -14.618 29.180 1.00 30.02 O ATOM 1247 CB ASP C 725 -25.278 -11.550 30.225 1.00 30.21 C ATOM 1248 CG ASP C 725 -25.653 -10.817 31.540 1.00 32.39 C ATOM 1249 OD1 ASP C 725 -25.417 -11.330 32.665 1.00 33.37 O ATOM 1250 OD2 ASP C 725 -26.213 -9.698 31.437 1.00 33.12 O ATOM 0 H ASP C 725 -22.916 -11.859 30.780 1.00 30.20 H new ATOM 0 HA ASP C 725 -24.970 -13.348 31.195 1.00 29.69 H new ATOM 0 HB2 ASP C 725 -24.709 -10.972 29.693 1.00 30.21 H new ATOM 0 HB3 ASP C 725 -26.085 -11.705 29.710 1.00 30.21 H new ATOM 1251 N ALA C 726 -23.917 -13.570 28.186 1.00 28.66 N ATOM 1252 CA ALA C 726 -24.056 -14.356 26.966 1.00 27.48 C ATOM 1253 C ALA C 726 -23.820 -15.829 27.247 1.00 28.40 C ATOM 1254 O ALA C 726 -24.558 -16.674 26.772 1.00 27.48 O ATOM 1255 CB ALA C 726 -23.104 -13.872 25.914 1.00 28.55 C ATOM 0 H ALA C 726 -23.284 -12.988 28.172 1.00 28.66 H new ATOM 0 HA ALA C 726 -24.962 -14.245 26.638 1.00 27.48 H new ATOM 0 HB1 ALA C 726 -23.210 -14.406 25.111 1.00 28.55 H new ATOM 0 HB2 ALA C 726 -23.291 -12.942 25.711 1.00 28.55 H new ATOM 0 HB3 ALA C 726 -22.194 -13.955 26.238 1.00 28.55 H new ATOM 1256 N ARG C 727 -22.774 -16.119 28.026 1.00 28.15 N ATOM 1257 CA ARG C 727 -22.449 -17.493 28.410 1.00 31.40 C ATOM 1258 C ARG C 727 -23.602 -18.155 29.149 1.00 31.28 C ATOM 1259 O ARG C 727 -23.967 -19.303 28.853 1.00 31.64 O ATOM 1260 CB ARG C 727 -21.224 -17.527 29.304 1.00 31.66 C ATOM 1261 CG ARG C 727 -19.981 -18.045 28.627 1.00 37.03 C ATOM 1262 CD ARG C 727 -19.076 -16.951 28.150 1.00 42.40 C ATOM 1263 NE ARG C 727 -18.177 -16.472 29.200 1.00 46.49 N ATOM 1264 CZ ARG C 727 -16.961 -15.966 28.991 1.00 47.82 C ATOM 1265 NH1 ARG C 727 -16.439 -15.898 27.770 1.00 48.88 N ATOM 1266 NH2 ARG C 727 -16.242 -15.536 30.021 1.00 50.30 N ATOM 0 H ARG C 727 -22.237 -15.527 28.344 1.00 28.15 H new ATOM 0 HA ARG C 727 -22.275 -17.979 27.589 1.00 31.40 H new ATOM 0 HB2 ARG C 727 -21.051 -16.631 29.634 1.00 31.66 H new ATOM 0 HB3 ARG C 727 -21.415 -18.082 30.076 1.00 31.66 H new ATOM 0 HG2 ARG C 727 -19.495 -18.614 29.245 1.00 37.03 H new ATOM 0 HG3 ARG C 727 -20.236 -18.599 27.873 1.00 37.03 H new ATOM 0 HD2 ARG C 727 -18.551 -17.273 27.401 1.00 42.40 H new ATOM 0 HD3 ARG C 727 -19.612 -16.211 27.824 1.00 42.40 H new ATOM 0 HE ARG C 727 -18.453 -16.520 30.013 1.00 46.49 H new ATOM 0 HH11 ARG C 727 -16.887 -16.184 27.094 1.00 48.88 H new ATOM 0 HH12 ARG C 727 -15.653 -15.568 27.656 1.00 48.88 H new ATOM 0 HH21 ARG C 727 -16.561 -15.585 30.818 1.00 50.30 H new ATOM 0 HH22 ARG C 727 -15.457 -15.209 29.891 1.00 50.30 H new ATOM 1267 N ILE C 728 -24.171 -17.443 30.103 1.00 31.83 N ATOM 1268 CA ILE C 728 -25.221 -18.028 30.935 1.00 33.15 C ATOM 1269 C ILE C 728 -26.474 -18.226 30.087 1.00 33.11 C ATOM 1270 O ILE C 728 -27.145 -19.257 30.205 1.00 33.87 O ATOM 1271 CB ILE C 728 -25.483 -17.173 32.183 1.00 33.39 C ATOM 1272 CG1 ILE C 728 -24.255 -17.192 33.095 1.00 34.67 C ATOM 1273 CG2 ILE C 728 -26.732 -17.627 32.915 1.00 36.27 C ATOM 1274 CD1 ILE C 728 -23.729 -18.551 33.495 1.00 39.21 C ATOM 0 H ILE C 728 -23.971 -16.627 30.289 1.00 31.83 H new ATOM 0 HA ILE C 728 -24.934 -18.895 31.262 1.00 33.15 H new ATOM 0 HB ILE C 728 -25.641 -16.258 31.903 1.00 33.39 H new ATOM 0 HG12 ILE C 728 -23.540 -16.709 32.651 1.00 34.67 H new ATOM 0 HG13 ILE C 728 -24.470 -16.700 33.903 1.00 34.67 H new ATOM 0 HG21 ILE C 728 -26.870 -17.069 33.696 1.00 36.27 H new ATOM 0 HG22 ILE C 728 -27.498 -17.552 32.325 1.00 36.27 H new ATOM 0 HG23 ILE C 728 -26.627 -18.551 33.192 1.00 36.27 H new ATOM 0 HD11 ILE C 728 -22.955 -18.442 34.069 1.00 39.21 H new ATOM 0 HD12 ILE C 728 -24.419 -19.038 33.972 1.00 39.21 H new ATOM 0 HD13 ILE C 728 -23.475 -19.046 32.701 1.00 39.21 H new ATOM 1275 N ASP C 729 -26.764 -17.272 29.202 1.00 33.33 N ATOM 1276 CA ASP C 729 -27.985 -17.326 28.400 1.00 34.13 C ATOM 1277 C ASP C 729 -27.876 -18.437 27.347 1.00 33.85 C ATOM 1278 O ASP C 729 -28.884 -19.049 26.966 1.00 35.06 O ATOM 1279 CB ASP C 729 -28.337 -15.956 27.746 1.00 33.56 C ATOM 1280 CG ASP C 729 -28.740 -14.894 28.760 1.00 37.25 C ATOM 1281 OD1 ASP C 729 -29.179 -15.248 29.881 1.00 41.79 O ATOM 1282 OD2 ASP C 729 -28.628 -13.675 28.459 1.00 35.90 O ATOM 0 H ASP C 729 -26.267 -16.586 29.052 1.00 33.33 H new ATOM 0 HA ASP C 729 -28.718 -17.533 29.000 1.00 34.13 H new ATOM 0 HB2 ASP C 729 -27.572 -15.639 27.241 1.00 33.56 H new ATOM 0 HB3 ASP C 729 -29.061 -16.083 27.114 1.00 33.56 H new ATOM 1283 N PHE C 730 -26.664 -18.684 26.859 1.00 31.79 N ATOM 1284 CA PHE C 730 -26.441 -19.755 25.892 1.00 32.38 C ATOM 1285 C PHE C 730 -26.622 -21.094 26.608 1.00 32.96 C ATOM 1286 O PHE C 730 -27.282 -22.002 26.118 1.00 32.78 O ATOM 1287 CB PHE C 730 -25.027 -19.625 25.301 1.00 30.28 C ATOM 1288 CG PHE C 730 -24.707 -20.625 24.203 1.00 32.06 C ATOM 1289 CD1 PHE C 730 -25.699 -21.124 23.366 1.00 30.57 C ATOM 1290 CD2 PHE C 730 -23.420 -21.024 23.991 1.00 28.30 C ATOM 1291 CE1 PHE C 730 -25.401 -22.016 22.357 1.00 29.27 C ATOM 1292 CE2 PHE C 730 -23.110 -21.926 22.995 1.00 28.67 C ATOM 1293 CZ PHE C 730 -24.099 -22.426 22.177 1.00 29.77 C ATOM 0 H PHE C 730 -25.958 -18.243 27.075 1.00 31.79 H new ATOM 0 HA PHE C 730 -27.076 -19.699 25.161 1.00 32.38 H new ATOM 0 HB2 PHE C 730 -24.918 -18.728 24.948 1.00 30.28 H new ATOM 0 HB3 PHE C 730 -24.380 -19.729 26.016 1.00 30.28 H new ATOM 0 HD1 PHE C 730 -26.580 -20.851 23.489 1.00 30.57 H new ATOM 0 HD2 PHE C 730 -22.741 -20.682 24.527 1.00 28.30 H new ATOM 0 HE1 PHE C 730 -26.074 -22.338 21.802 1.00 29.27 H new ATOM 0 HE2 PHE C 730 -22.229 -22.198 22.875 1.00 28.67 H new ATOM 0 HZ PHE C 730 -23.889 -23.036 21.508 1.00 29.77 H new ATOM 1294 N GLU C 731 -26.042 -21.180 27.793 1.00 35.38 N ATOM 1295 CA GLU C 731 -26.093 -22.397 28.606 1.00 37.50 C ATOM 1296 C GLU C 731 -27.545 -22.728 28.944 1.00 38.56 C ATOM 1297 O GLU C 731 -27.931 -23.897 28.952 1.00 39.50 O ATOM 1298 CB GLU C 731 -25.280 -22.152 29.877 1.00 37.14 C ATOM 1299 CG GLU C 731 -25.124 -23.332 30.852 1.00 39.18 C ATOM 1300 CD GLU C 731 -24.600 -22.853 32.193 1.00 38.95 C ATOM 1301 OE1 GLU C 731 -25.308 -23.016 33.205 1.00 44.10 O ATOM 1302 OE2 GLU C 731 -23.486 -22.288 32.238 1.00 40.82 O ATOM 0 H GLU C 731 -25.604 -20.535 28.156 1.00 35.38 H new ATOM 0 HA GLU C 731 -25.720 -23.150 28.122 1.00 37.50 H new ATOM 0 HB2 GLU C 731 -24.393 -21.860 29.615 1.00 37.14 H new ATOM 0 HB3 GLU C 731 -25.690 -21.417 30.359 1.00 37.14 H new ATOM 0 HG2 GLU C 731 -25.979 -23.773 30.973 1.00 39.18 H new ATOM 0 HG3 GLU C 731 -24.516 -23.989 30.478 1.00 39.18 H new ATOM 1303 N SER C 732 -28.353 -21.706 29.206 1.00 40.24 N ATOM 1304 CA SER C 732 -29.736 -21.926 29.605 1.00 41.51 C ATOM 1305 C SER C 732 -30.648 -22.206 28.423 1.00 42.41 C ATOM 1306 O SER C 732 -31.715 -22.775 28.592 1.00 43.72 O ATOM 1307 CB SER C 732 -30.276 -20.736 30.399 1.00 42.45 C ATOM 1308 OG SER C 732 -30.833 -19.755 29.531 1.00 44.40 O ATOM 0 H SER C 732 -28.120 -20.880 29.158 1.00 40.24 H new ATOM 0 HA SER C 732 -29.732 -22.715 30.169 1.00 41.51 H new ATOM 0 HB2 SER C 732 -30.952 -21.040 31.025 1.00 42.45 H new ATOM 0 HB3 SER C 732 -29.561 -20.341 30.923 1.00 42.45 H new ATOM 0 HG SER C 732 -31.125 -19.112 29.986 1.00 44.40 H new ATOM 1309 N GLY C 733 -30.232 -21.810 27.232 1.00 42.05 N ATOM 1310 CA GLY C 733 -31.095 -21.920 26.065 1.00 42.95 C ATOM 1311 C GLY C 733 -31.843 -20.635 25.776 1.00 43.14 C ATOM 1312 O GLY C 733 -32.625 -20.567 24.824 1.00 44.09 O ATOM 0 H GLY C 733 -29.455 -21.475 27.076 1.00 42.05 H new ATOM 0 HA2 GLY C 733 -30.560 -22.161 25.292 1.00 42.95 H new ATOM 0 HA3 GLY C 733 -31.732 -22.638 26.204 1.00 42.95 H new ATOM 1313 N ARG C 734 -31.608 -19.604 26.586 1.00 42.77 N ATOM 1314 CA ARG C 734 -32.238 -18.300 26.376 1.00 42.63 C ATOM 1315 C ARG C 734 -31.802 -17.648 25.058 1.00 42.06 C ATOM 1316 O ARG C 734 -32.583 -16.911 24.432 1.00 42.85 O ATOM 1317 CB ARG C 734 -31.962 -17.373 27.555 1.00 43.07 C ATOM 1318 CG ARG C 734 -32.770 -16.085 27.525 1.00 45.24 C ATOM 1319 CD ARG C 734 -32.531 -15.253 28.782 1.00 51.41 C ATOM 1320 NE ARG C 734 -32.934 -13.859 28.602 1.00 54.43 N ATOM 1321 CZ ARG C 734 -34.181 -13.411 28.704 1.00 57.25 C ATOM 1322 NH1 ARG C 734 -35.180 -14.242 29.004 1.00 57.63 N ATOM 1323 NH2 ARG C 734 -34.427 -12.120 28.516 1.00 59.19 N ATOM 0 H ARG C 734 -31.084 -19.639 27.267 1.00 42.77 H new ATOM 0 HA ARG C 734 -33.194 -18.451 26.315 1.00 42.63 H new ATOM 0 HB2 ARG C 734 -32.154 -17.846 28.380 1.00 43.07 H new ATOM 0 HB3 ARG C 734 -31.018 -17.152 27.568 1.00 43.07 H new ATOM 0 HG2 ARG C 734 -32.529 -15.567 26.741 1.00 45.24 H new ATOM 0 HG3 ARG C 734 -33.714 -16.294 27.447 1.00 45.24 H new ATOM 0 HD2 ARG C 734 -33.025 -15.638 29.523 1.00 51.41 H new ATOM 0 HD3 ARG C 734 -31.591 -15.289 29.019 1.00 51.41 H new ATOM 0 HE ARG C 734 -32.319 -13.287 28.417 1.00 54.43 H new ATOM 0 HH11 ARG C 734 -35.020 -15.077 29.134 1.00 57.63 H new ATOM 0 HH12 ARG C 734 -35.984 -13.943 29.068 1.00 57.63 H new ATOM 0 HH21 ARG C 734 -33.782 -11.582 28.330 1.00 59.19 H new ATOM 0 HH22 ARG C 734 -35.231 -11.822 28.580 1.00 59.19 H new ATOM 1324 N ILE C 735 -30.561 -17.923 24.644 1.00 40.85 N ATOM 1325 CA ILE C 735 -30.082 -17.496 23.339 1.00 38.99 C ATOM 1326 C ILE C 735 -29.537 -18.682 22.541 1.00 38.98 C ATOM 1327 O ILE C 735 -29.093 -19.693 23.109 1.00 38.83 O ATOM 1328 CB ILE C 735 -29.037 -16.306 23.399 1.00 38.33 C ATOM 1329 CG1 ILE C 735 -27.659 -16.757 23.924 1.00 37.30 C ATOM 1330 CG2 ILE C 735 -29.615 -15.071 24.134 1.00 38.70 C ATOM 1331 CD1 ILE C 735 -26.619 -15.638 23.924 1.00 37.01 C ATOM 0 H ILE C 735 -29.984 -18.358 25.110 1.00 40.85 H new ATOM 0 HA ILE C 735 -30.854 -17.138 22.874 1.00 38.99 H new ATOM 0 HB ILE C 735 -28.874 -16.017 22.487 1.00 38.33 H new ATOM 0 HG12 ILE C 735 -27.759 -17.098 24.827 1.00 37.30 H new ATOM 0 HG13 ILE C 735 -27.336 -17.491 23.378 1.00 37.30 H new ATOM 0 HG21 ILE C 735 -28.951 -14.365 24.152 1.00 38.70 H new ATOM 0 HG22 ILE C 735 -30.406 -14.758 23.669 1.00 38.70 H new ATOM 0 HG23 ILE C 735 -29.850 -15.316 25.043 1.00 38.70 H new ATOM 0 HD11 ILE C 735 -25.776 -15.979 24.263 1.00 37.01 H new ATOM 0 HD12 ILE C 735 -26.495 -15.311 23.019 1.00 37.01 H new ATOM 0 HD13 ILE C 735 -26.924 -14.912 24.490 1.00 37.01 H new ATOM 1332 N LYS C 736 -29.590 -18.544 21.218 1.00 38.95 N ATOM 1333 CA LYS C 736 -29.214 -19.586 20.284 1.00 39.02 C ATOM 1334 C LYS C 736 -27.692 -19.474 19.952 1.00 38.33 C ATOM 1335 O LYS C 736 -27.081 -18.441 20.243 1.00 37.32 O ATOM 1336 CB LYS C 736 -30.093 -19.452 19.032 1.00 40.66 C ATOM 1337 CG LYS C 736 -31.382 -20.301 19.011 1.00 42.74 C ATOM 1338 CD LYS C 736 -32.268 -20.163 20.263 1.00 47.29 C ATOM 1339 CE LYS C 736 -32.177 -21.399 21.187 1.00 48.80 C ATOM 1340 NZ LYS C 736 -33.239 -21.440 22.261 1.00 48.52 N ATOM 0 H LYS C 736 -29.853 -17.821 20.835 1.00 38.95 H new ATOM 0 HA LYS C 736 -29.357 -20.465 20.668 1.00 39.02 H new ATOM 0 HB2 LYS C 736 -30.340 -18.519 18.931 1.00 40.66 H new ATOM 0 HB3 LYS C 736 -29.559 -19.689 18.258 1.00 40.66 H new ATOM 0 HG2 LYS C 736 -31.904 -20.054 18.232 1.00 42.74 H new ATOM 0 HG3 LYS C 736 -31.138 -21.234 18.904 1.00 42.74 H new ATOM 0 HD2 LYS C 736 -32.003 -19.372 20.758 1.00 47.29 H new ATOM 0 HD3 LYS C 736 -33.190 -20.032 19.991 1.00 47.29 H new ATOM 0 HE2 LYS C 736 -32.245 -22.202 20.646 1.00 48.80 H new ATOM 0 HE3 LYS C 736 -31.303 -21.414 21.608 1.00 48.80 H new ATOM 0 HZ1 LYS C 736 -33.511 -22.279 22.378 1.00 48.52 H new ATOM 0 HZ2 LYS C 736 -32.902 -21.129 23.024 1.00 48.52 H new ATOM 0 HZ3 LYS C 736 -33.930 -20.936 22.015 1.00 48.52 H new ATOM 1341 N LYS C 737 -27.089 -20.512 19.373 1.00 37.90 N ATOM 1342 CA LYS C 737 -25.630 -20.514 19.124 1.00 38.42 C ATOM 1343 C LYS C 737 -25.206 -19.347 18.232 1.00 37.74 C ATOM 1344 O LYS C 737 -24.203 -18.707 18.498 1.00 36.56 O ATOM 1345 CB LYS C 737 -25.092 -21.872 18.598 1.00 39.28 C ATOM 1346 CG LYS C 737 -25.183 -22.152 17.081 1.00 43.56 C ATOM 1347 CD LYS C 737 -24.230 -21.266 16.191 1.00 46.86 C ATOM 1348 CE LYS C 737 -22.722 -21.510 16.358 1.00 48.10 C ATOM 1349 NZ LYS C 737 -22.199 -22.642 15.562 1.00 50.22 N ATOM 0 H LYS C 737 -27.496 -21.224 19.115 1.00 37.90 H new ATOM 0 HA LYS C 737 -25.214 -20.387 19.991 1.00 38.42 H new ATOM 0 HB2 LYS C 737 -24.160 -21.943 18.857 1.00 39.28 H new ATOM 0 HB3 LYS C 737 -25.569 -22.579 19.060 1.00 39.28 H new ATOM 0 HG2 LYS C 737 -24.976 -23.087 16.924 1.00 43.56 H new ATOM 0 HG3 LYS C 737 -26.098 -22.011 16.793 1.00 43.56 H new ATOM 0 HD2 LYS C 737 -24.461 -21.411 15.260 1.00 46.86 H new ATOM 0 HD3 LYS C 737 -24.411 -20.333 16.386 1.00 46.86 H new ATOM 0 HE2 LYS C 737 -22.244 -20.704 16.108 1.00 48.10 H new ATOM 0 HE3 LYS C 737 -22.533 -21.672 17.295 1.00 48.10 H new ATOM 0 HZ1 LYS C 737 -21.325 -22.727 15.705 1.00 50.22 H new ATOM 0 HZ2 LYS C 737 -22.613 -23.392 15.804 1.00 50.22 H new ATOM 0 HZ3 LYS C 737 -22.344 -22.489 14.697 1.00 50.22 H new ATOM 1350 N GLU C 738 -26.002 -19.068 17.194 1.00 37.11 N ATOM 1351 CA GLU C 738 -25.691 -17.979 16.273 1.00 37.38 C ATOM 1352 C GLU C 738 -25.699 -16.639 16.993 1.00 36.06 C ATOM 1353 O GLU C 738 -24.863 -15.793 16.718 1.00 34.77 O ATOM 1354 CB GLU C 738 -26.667 -17.943 15.082 1.00 37.85 C ATOM 1355 CG GLU C 738 -26.752 -19.264 14.275 1.00 41.82 C ATOM 1356 CD GLU C 738 -27.422 -20.431 15.024 1.00 45.16 C ATOM 1357 OE1 GLU C 738 -28.130 -20.207 16.035 1.00 46.24 O ATOM 1358 OE2 GLU C 738 -27.233 -21.592 14.592 1.00 49.00 O ATOM 0 H GLU C 738 -26.723 -19.498 17.009 1.00 37.11 H new ATOM 0 HA GLU C 738 -24.800 -18.144 15.927 1.00 37.38 H new ATOM 0 HB2 GLU C 738 -27.552 -17.722 15.411 1.00 37.85 H new ATOM 0 HB3 GLU C 738 -26.401 -17.228 14.483 1.00 37.85 H new ATOM 0 HG2 GLU C 738 -27.243 -19.097 13.455 1.00 41.82 H new ATOM 0 HG3 GLU C 738 -25.855 -19.531 14.020 1.00 41.82 H new ATOM 1359 N GLU C 739 -26.666 -16.442 17.892 1.00 35.36 N ATOM 1360 CA GLU C 739 -26.729 -15.226 18.721 1.00 33.88 C ATOM 1361 C GLU C 739 -25.541 -15.084 19.686 1.00 31.64 C ATOM 1362 O GLU C 739 -24.946 -14.015 19.784 1.00 30.00 O ATOM 1363 CB GLU C 739 -28.066 -15.168 19.473 1.00 34.73 C ATOM 1364 CG GLU C 739 -28.241 -13.964 20.404 1.00 36.20 C ATOM 1365 CD GLU C 739 -29.733 -13.728 20.796 1.00 38.00 C ATOM 1366 OE1 GLU C 739 -30.538 -14.697 20.739 1.00 42.45 O ATOM 1367 OE2 GLU C 739 -30.077 -12.570 21.167 1.00 43.72 O ATOM 0 H GLU C 739 -27.301 -17.003 18.040 1.00 35.36 H new ATOM 0 HA GLU C 739 -26.669 -14.469 18.117 1.00 33.88 H new ATOM 0 HB2 GLU C 739 -28.786 -15.163 18.823 1.00 34.73 H new ATOM 0 HB3 GLU C 739 -28.162 -15.979 19.996 1.00 34.73 H new ATOM 0 HG2 GLU C 739 -27.716 -14.101 21.208 1.00 36.20 H new ATOM 0 HG3 GLU C 739 -27.894 -13.169 19.970 1.00 36.20 H new ATOM 1368 N PHE C 740 -25.220 -16.165 20.404 1.00 28.86 N ATOM 1369 CA PHE C 740 -24.048 -16.245 21.254 1.00 27.29 C ATOM 1370 C PHE C 740 -22.819 -15.815 20.479 1.00 25.60 C ATOM 1371 O PHE C 740 -22.111 -14.944 20.920 1.00 25.74 O ATOM 1372 CB PHE C 740 -23.876 -17.678 21.787 1.00 26.25 C ATOM 1373 CG PHE C 740 -22.656 -17.868 22.598 1.00 27.50 C ATOM 1374 CD1 PHE C 740 -22.562 -17.309 23.872 1.00 29.82 C ATOM 1375 CD2 PHE C 740 -21.581 -18.562 22.076 1.00 28.40 C ATOM 1376 CE1 PHE C 740 -21.401 -17.460 24.628 1.00 26.48 C ATOM 1377 CE2 PHE C 740 -20.402 -18.709 22.788 1.00 27.35 C ATOM 1378 CZ PHE C 740 -20.321 -18.166 24.085 1.00 28.14 C ATOM 0 H PHE C 740 -25.693 -16.883 20.405 1.00 28.86 H new ATOM 0 HA PHE C 740 -24.163 -15.649 22.010 1.00 27.29 H new ATOM 0 HB2 PHE C 740 -24.650 -17.910 22.323 1.00 26.25 H new ATOM 0 HB3 PHE C 740 -23.855 -18.293 21.037 1.00 26.25 H new ATOM 0 HD1 PHE C 740 -23.280 -16.831 24.220 1.00 29.82 H new ATOM 0 HD2 PHE C 740 -21.651 -18.938 21.228 1.00 28.40 H new ATOM 0 HE1 PHE C 740 -21.344 -17.096 25.482 1.00 26.48 H new ATOM 0 HE2 PHE C 740 -19.677 -19.158 22.416 1.00 27.35 H new ATOM 0 HZ PHE C 740 -19.544 -18.277 24.584 1.00 28.14 H new ATOM 1379 N THR C 741 -22.565 -16.465 19.343 1.00 24.86 N ATOM 1380 CA THR C 741 -21.371 -16.145 18.532 1.00 26.81 C ATOM 1381 C THR C 741 -21.325 -14.674 18.112 1.00 25.69 C ATOM 1382 O THR C 741 -20.289 -14.041 18.201 1.00 26.39 O ATOM 1383 CB THR C 741 -21.277 -17.057 17.281 1.00 26.55 C ATOM 1384 OG1 THR C 741 -22.436 -16.833 16.470 1.00 32.37 O ATOM 1385 CG2 THR C 741 -21.228 -18.507 17.720 1.00 26.88 C ATOM 0 H THR C 741 -23.061 -17.089 19.021 1.00 24.86 H new ATOM 0 HA THR C 741 -20.604 -16.313 19.102 1.00 26.81 H new ATOM 0 HB THR C 741 -20.475 -16.854 16.774 1.00 26.55 H new ATOM 0 HG1 THR C 741 -23.051 -16.512 16.943 1.00 32.37 H new ATOM 0 HG21 THR C 741 -21.169 -19.080 16.939 1.00 26.88 H new ATOM 0 HG22 THR C 741 -20.451 -18.649 18.284 1.00 26.88 H new ATOM 0 HG23 THR C 741 -22.032 -18.722 18.218 1.00 26.88 H new ATOM 1386 N GLU C 742 -22.469 -14.109 17.714 1.00 25.53 N ATOM 1387 CA GLU C 742 -22.528 -12.724 17.278 1.00 26.50 C ATOM 1388 C GLU C 742 -22.232 -11.785 18.433 1.00 25.74 C ATOM 1389 O GLU C 742 -21.440 -10.837 18.289 1.00 22.47 O ATOM 1390 CB GLU C 742 -23.895 -12.424 16.659 1.00 27.21 C ATOM 1391 CG GLU C 742 -23.948 -11.139 15.855 1.00 30.36 C ATOM 1392 CD GLU C 742 -25.222 -10.960 15.043 1.00 31.74 C ATOM 1393 OE1 GLU C 742 -26.042 -11.900 14.874 1.00 39.86 O ATOM 1394 OE2 GLU C 742 -25.394 -9.823 14.595 1.00 36.02 O ATOM 0 H GLU C 742 -23.224 -14.520 17.692 1.00 25.53 H new ATOM 0 HA GLU C 742 -21.849 -12.581 16.600 1.00 26.50 H new ATOM 0 HB2 GLU C 742 -24.147 -13.163 16.084 1.00 27.21 H new ATOM 0 HB3 GLU C 742 -24.556 -12.377 17.367 1.00 27.21 H new ATOM 0 HG2 GLU C 742 -23.855 -10.387 16.461 1.00 30.36 H new ATOM 0 HG3 GLU C 742 -23.188 -11.115 15.253 1.00 30.36 H new ATOM 1395 N ILE C 743 -22.828 -12.057 19.598 1.00 23.48 N ATOM 1396 CA ILE C 743 -22.527 -11.252 20.788 1.00 22.33 C ATOM 1397 C ILE C 743 -21.022 -11.306 21.152 1.00 22.37 C ATOM 1398 O ILE C 743 -20.446 -10.253 21.366 1.00 22.93 O ATOM 1399 CB ILE C 743 -23.355 -11.642 22.026 1.00 22.44 C ATOM 1400 CG1 ILE C 743 -24.842 -11.370 21.747 1.00 23.32 C ATOM 1401 CG2 ILE C 743 -22.853 -10.875 23.253 1.00 22.57 C ATOM 1402 CD1 ILE C 743 -25.780 -12.058 22.728 1.00 27.90 C ATOM 0 H ILE C 743 -23.398 -12.689 19.720 1.00 23.48 H new ATOM 0 HA ILE C 743 -22.774 -10.347 20.541 1.00 22.33 H new ATOM 0 HB ILE C 743 -23.252 -12.588 22.213 1.00 22.44 H new ATOM 0 HG12 ILE C 743 -24.999 -10.413 21.777 1.00 23.32 H new ATOM 0 HG13 ILE C 743 -25.054 -11.664 20.847 1.00 23.32 H new ATOM 0 HG21 ILE C 743 -23.379 -11.125 24.029 1.00 22.57 H new ATOM 0 HG22 ILE C 743 -21.921 -11.092 23.411 1.00 22.57 H new ATOM 0 HG23 ILE C 743 -22.941 -9.922 23.097 1.00 22.57 H new ATOM 0 HD11 ILE C 743 -26.699 -11.848 22.499 1.00 27.90 H new ATOM 0 HD12 ILE C 743 -25.648 -13.018 22.684 1.00 27.90 H new ATOM 0 HD13 ILE C 743 -25.592 -11.747 23.628 1.00 27.90 H new HETATM 1403 N MSE C 744 -20.398 -12.503 21.124 1.00 22.46 N HETATM 1404 CA MSE C 744 -19.005 -12.640 21.532 1.00 24.34 C HETATM 1405 C MSE C 744 -18.080 -11.934 20.534 1.00 23.21 C HETATM 1406 O MSE C 744 -17.157 -11.283 20.947 1.00 24.43 O HETATM 1407 CB MSE C 744 -18.598 -14.105 21.772 1.00 24.47 C HETATM 1408 CG MSE C 744 -19.480 -14.827 22.814 1.00 26.26 C HETATM 1409 SE MSE C 744 -19.343 -13.913 24.564 1.00 33.88 SE HETATM 1410 CE MSE C 744 -17.655 -14.614 25.144 1.00 34.61 C HETATM 0 H MSE C 744 -20.771 -13.236 20.872 1.00 22.46 H new HETATM 0 HA MSE C 744 -18.908 -12.200 22.391 1.00 24.34 H new HETATM 0 HB2 MSE C 744 -18.642 -14.587 20.932 1.00 24.47 H new HETATM 0 HB3 MSE C 744 -17.674 -14.132 22.066 1.00 24.47 H new HETATM 0 HG2 MSE C 744 -20.403 -14.836 22.517 1.00 26.26 H new HETATM 0 HG3 MSE C 744 -19.200 -15.752 22.901 1.00 26.26 H new HETATM 0 HE1 MSE C 744 -17.436 -14.251 26.016 1.00 34.61 H new HETATM 0 HE2 MSE C 744 -17.708 -15.581 25.201 1.00 34.61 H new HETATM 0 HE3 MSE C 744 -16.966 -14.366 24.508 1.00 34.61 H new ATOM 1411 N LYS C 745 -18.397 -12.021 19.240 1.00 24.72 N ATOM 1412 CA LYS C 745 -17.603 -11.332 18.189 1.00 24.91 C ATOM 1413 C LYS C 745 -17.706 -9.820 18.343 1.00 24.82 C ATOM 1414 O LYS C 745 -16.710 -9.127 18.207 1.00 22.88 O ATOM 1415 CB LYS C 745 -18.124 -11.685 16.791 1.00 26.57 C ATOM 1416 CG LYS C 745 -18.183 -13.196 16.502 1.00 29.04 C ATOM 1417 CD LYS C 745 -17.001 -13.963 16.950 1.00 39.22 C ATOM 1418 CE LYS C 745 -15.949 -14.029 15.889 1.00 37.70 C ATOM 1419 NZ LYS C 745 -15.706 -12.586 15.516 1.00 37.52 N ATOM 0 H LYS C 745 -19.066 -12.471 18.940 1.00 24.72 H new ATOM 0 HA LYS C 745 -16.684 -11.624 18.290 1.00 24.91 H new ATOM 0 HB2 LYS C 745 -19.012 -11.311 16.684 1.00 26.57 H new ATOM 0 HB3 LYS C 745 -17.556 -11.261 16.129 1.00 26.57 H new ATOM 0 HG2 LYS C 745 -18.972 -13.563 16.931 1.00 29.04 H new ATOM 0 HG3 LYS C 745 -18.293 -13.325 15.547 1.00 29.04 H new ATOM 0 HD2 LYS C 745 -16.631 -13.552 17.747 1.00 39.22 H new ATOM 0 HD3 LYS C 745 -17.272 -14.862 17.194 1.00 39.22 H new ATOM 0 HE2 LYS C 745 -15.140 -14.451 16.218 1.00 37.70 H new ATOM 0 HE3 LYS C 745 -16.248 -14.547 15.125 1.00 37.70 H new ATOM 0 HZ1 LYS C 745 -14.908 -12.509 15.129 1.00 37.52 H new ATOM 0 HZ2 LYS C 745 -16.337 -12.315 14.950 1.00 37.52 H new ATOM 0 HZ3 LYS C 745 -15.729 -12.082 16.249 1.00 37.52 H new ATOM 1420 N ILE C 746 -18.920 -9.312 18.620 1.00 23.85 N ATOM 1421 CA ILE C 746 -19.063 -7.872 18.841 1.00 23.76 C ATOM 1422 C ILE C 746 -18.250 -7.433 20.094 1.00 22.87 C ATOM 1423 O ILE C 746 -17.636 -6.418 20.067 1.00 21.48 O ATOM 1424 CB ILE C 746 -20.582 -7.381 18.853 1.00 22.12 C ATOM 1425 CG1 ILE C 746 -21.280 -7.725 17.514 1.00 25.30 C ATOM 1426 CG2 ILE C 746 -20.663 -5.910 19.255 1.00 22.74 C ATOM 1427 CD1 ILE C 746 -22.765 -7.607 17.577 1.00 25.59 C ATOM 0 H ILE C 746 -19.645 -9.770 18.682 1.00 23.85 H new ATOM 0 HA ILE C 746 -18.679 -7.416 18.076 1.00 23.76 H new ATOM 0 HB ILE C 746 -21.080 -7.864 19.531 1.00 22.12 H new ATOM 0 HG12 ILE C 746 -20.944 -7.136 16.820 1.00 25.30 H new ATOM 0 HG13 ILE C 746 -21.044 -8.630 17.256 1.00 25.30 H new ATOM 0 HG21 ILE C 746 -21.590 -5.626 19.258 1.00 22.74 H new ATOM 0 HG22 ILE C 746 -20.287 -5.796 20.142 1.00 22.74 H new ATOM 0 HG23 ILE C 746 -20.163 -5.373 18.621 1.00 22.74 H new ATOM 0 HD11 ILE C 746 -23.145 -7.833 16.714 1.00 25.59 H new ATOM 0 HD12 ILE C 746 -23.110 -8.214 18.251 1.00 25.59 H new ATOM 0 HD13 ILE C 746 -23.008 -6.697 17.808 1.00 25.59 H new ATOM 1428 N CYS C 747 -18.238 -8.227 21.173 1.00 22.02 N ATOM 1429 CA CYS C 747 -17.521 -7.855 22.388 1.00 22.41 C ATOM 1430 C CYS C 747 -16.063 -7.778 22.044 1.00 22.55 C ATOM 1431 O CYS C 747 -15.327 -6.885 22.500 1.00 25.24 O ATOM 1432 CB CYS C 747 -17.724 -8.942 23.440 1.00 22.30 C ATOM 1433 SG CYS C 747 -19.344 -8.820 24.179 1.00 27.30 S ATOM 0 H CYS C 747 -18.641 -8.985 21.216 1.00 22.02 H new ATOM 0 HA CYS C 747 -17.843 -7.007 22.733 1.00 22.41 H new ATOM 0 HB2 CYS C 747 -17.615 -9.816 23.033 1.00 22.30 H new ATOM 0 HB3 CYS C 747 -17.044 -8.863 24.127 1.00 22.30 H new ATOM 0 HG CYS C 747 -20.160 -9.289 23.435 1.00 27.30 H new ATOM 1434 N SER C 748 -15.636 -8.750 21.236 1.00 22.58 N ATOM 1435 CA SER C 748 -14.225 -8.805 20.821 1.00 23.42 C ATOM 1436 C SER C 748 -13.862 -7.549 20.020 1.00 24.60 C ATOM 1437 O SER C 748 -12.825 -6.955 20.196 1.00 24.94 O ATOM 1438 CB SER C 748 -13.918 -10.088 20.035 1.00 23.85 C ATOM 1439 OG SER C 748 -13.795 -11.177 20.954 1.00 30.58 O ATOM 0 H SER C 748 -16.133 -9.377 20.920 1.00 22.58 H new ATOM 0 HA SER C 748 -13.672 -8.827 21.618 1.00 23.42 H new ATOM 0 HB2 SER C 748 -14.625 -10.267 19.396 1.00 23.85 H new ATOM 0 HB3 SER C 748 -13.098 -9.983 19.528 1.00 23.85 H new ATOM 0 HG SER C 748 -14.454 -11.180 21.475 1.00 30.58 H new ATOM 1440 N THR C 749 -14.769 -7.108 19.177 1.00 22.93 N ATOM 1441 CA THR C 749 -14.507 -5.886 18.383 1.00 23.53 C ATOM 1442 C THR C 749 -14.461 -4.656 19.278 1.00 23.37 C ATOM 1443 O THR C 749 -13.673 -3.771 19.075 1.00 23.09 O ATOM 1444 CB THR C 749 -15.629 -5.785 17.312 1.00 24.24 C ATOM 1445 OG1 THR C 749 -15.495 -6.903 16.416 1.00 24.59 O ATOM 1446 CG2 THR C 749 -15.564 -4.473 16.535 1.00 26.14 C ATOM 0 H THR C 749 -15.532 -7.479 19.038 1.00 22.93 H new ATOM 0 HA THR C 749 -13.641 -5.934 17.949 1.00 23.53 H new ATOM 0 HB THR C 749 -16.491 -5.803 17.757 1.00 24.24 H new ATOM 0 HG1 THR C 749 -16.256 -7.146 16.155 1.00 24.59 H new ATOM 0 HG21 THR C 749 -16.278 -4.449 15.879 1.00 26.14 H new ATOM 0 HG22 THR C 749 -15.664 -3.728 17.148 1.00 26.14 H new ATOM 0 HG23 THR C 749 -14.708 -4.406 16.083 1.00 26.14 H new ATOM 1447 N ILE C 750 -15.351 -4.585 20.257 1.00 24.39 N ATOM 1448 CA ILE C 750 -15.383 -3.447 21.126 1.00 25.09 C ATOM 1449 C ILE C 750 -14.120 -3.410 21.972 1.00 26.72 C ATOM 1450 O ILE C 750 -13.575 -2.339 22.239 1.00 25.30 O ATOM 1451 CB ILE C 750 -16.669 -3.495 22.030 1.00 26.73 C ATOM 1452 CG1 ILE C 750 -17.937 -3.307 21.177 1.00 26.16 C ATOM 1453 CG2 ILE C 750 -16.599 -2.447 23.172 1.00 27.26 C ATOM 1454 CD1 ILE C 750 -19.253 -3.808 21.862 1.00 23.34 C ATOM 0 H ILE C 750 -15.940 -5.189 20.427 1.00 24.39 H new ATOM 0 HA ILE C 750 -15.419 -2.636 20.595 1.00 25.09 H new ATOM 0 HB ILE C 750 -16.711 -4.371 22.445 1.00 26.73 H new ATOM 0 HG12 ILE C 750 -18.034 -2.366 20.963 1.00 26.16 H new ATOM 0 HG13 ILE C 750 -17.822 -3.778 20.337 1.00 26.16 H new ATOM 0 HG21 ILE C 750 -17.404 -2.501 23.711 1.00 27.26 H new ATOM 0 HG22 ILE C 750 -15.825 -2.626 23.729 1.00 27.26 H new ATOM 0 HG23 ILE C 750 -16.524 -1.558 22.791 1.00 27.26 H new ATOM 0 HD11 ILE C 750 -20.005 -3.657 21.268 1.00 23.34 H new ATOM 0 HD12 ILE C 750 -19.178 -4.756 22.054 1.00 23.34 H new ATOM 0 HD13 ILE C 750 -19.393 -3.321 22.689 1.00 23.34 H new ATOM 1455 N GLU C 751 -13.664 -4.584 22.395 1.00 27.35 N ATOM 1456 CA GLU C 751 -12.413 -4.641 23.152 1.00 30.83 C ATOM 1457 C GLU C 751 -11.254 -4.125 22.341 1.00 31.68 C ATOM 1458 O GLU C 751 -10.432 -3.401 22.877 1.00 32.64 O ATOM 1459 CB GLU C 751 -12.142 -6.035 23.703 1.00 31.73 C ATOM 1460 CG GLU C 751 -13.110 -6.386 24.808 1.00 37.38 C ATOM 1461 CD GLU C 751 -12.449 -6.518 26.162 1.00 43.79 C ATOM 1462 OE1 GLU C 751 -11.672 -7.500 26.342 1.00 44.50 O ATOM 1463 OE2 GLU C 751 -12.749 -5.671 27.049 1.00 46.07 O ATOM 0 H GLU C 751 -14.049 -5.341 22.261 1.00 27.35 H new ATOM 0 HA GLU C 751 -12.515 -4.053 23.917 1.00 30.83 H new ATOM 0 HB2 GLU C 751 -12.213 -6.687 22.988 1.00 31.73 H new ATOM 0 HB3 GLU C 751 -11.233 -6.081 24.039 1.00 31.73 H new ATOM 0 HG2 GLU C 751 -13.798 -5.704 24.856 1.00 37.38 H new ATOM 0 HG3 GLU C 751 -13.553 -7.221 24.588 1.00 37.38 H new ATOM 1464 N GLU C 752 -11.192 -4.473 21.052 1.00 32.32 N ATOM 1465 CA GLU C 752 -10.161 -3.965 20.151 1.00 34.44 C ATOM 1466 C GLU C 752 -10.242 -2.434 20.004 1.00 35.42 C ATOM 1467 O GLU C 752 -9.213 -1.745 19.940 1.00 35.01 O ATOM 1468 CB GLU C 752 -10.304 -4.657 18.790 1.00 34.16 C ATOM 1469 CG GLU C 752 -9.163 -4.443 17.836 1.00 37.19 C ATOM 1470 CD GLU C 752 -9.296 -5.270 16.571 1.00 37.83 C ATOM 1471 OE1 GLU C 752 -10.120 -6.214 16.519 1.00 42.83 O ATOM 1472 OE2 GLU C 752 -8.566 -4.952 15.614 1.00 43.93 O ATOM 0 H GLU C 752 -11.749 -5.011 20.678 1.00 32.32 H new ATOM 0 HA GLU C 752 -9.289 -4.165 20.526 1.00 34.44 H new ATOM 0 HB2 GLU C 752 -10.408 -5.610 18.938 1.00 34.16 H new ATOM 0 HB3 GLU C 752 -11.120 -4.345 18.369 1.00 34.16 H new ATOM 0 HG2 GLU C 752 -9.115 -3.503 17.600 1.00 37.19 H new ATOM 0 HG3 GLU C 752 -8.330 -4.667 18.279 1.00 37.19 H new ATOM 1473 N LEU C 753 -11.467 -1.914 19.942 1.00 35.55 N ATOM 1474 CA LEU C 753 -11.700 -0.456 19.848 1.00 37.47 C ATOM 1475 C LEU C 753 -11.267 0.301 21.094 1.00 39.72 C ATOM 1476 O LEU C 753 -10.867 1.449 20.986 1.00 40.62 O ATOM 1477 CB LEU C 753 -13.164 -0.127 19.493 1.00 36.45 C ATOM 1478 CG LEU C 753 -13.650 -0.499 18.079 1.00 34.61 C ATOM 1479 CD1 LEU C 753 -15.171 -0.299 17.917 1.00 34.47 C ATOM 1480 CD2 LEU C 753 -12.836 0.297 17.008 1.00 36.38 C ATOM 0 H LEU C 753 -12.186 -2.385 19.953 1.00 35.55 H new ATOM 0 HA LEU C 753 -11.135 -0.150 19.121 1.00 37.47 H new ATOM 0 HB2 LEU C 753 -13.736 -0.576 20.135 1.00 36.45 H new ATOM 0 HB3 LEU C 753 -13.295 0.826 19.614 1.00 36.45 H new ATOM 0 HG LEU C 753 -13.489 -1.446 17.942 1.00 34.61 H new ATOM 0 HD11 LEU C 753 -15.436 -0.543 17.016 1.00 34.47 H new ATOM 0 HD12 LEU C 753 -15.641 -0.859 18.555 1.00 34.47 H new ATOM 0 HD13 LEU C 753 -15.394 0.631 18.078 1.00 34.47 H new ATOM 0 HD21 LEU C 753 -13.147 0.058 16.121 1.00 36.38 H new ATOM 0 HD22 LEU C 753 -12.961 1.249 17.148 1.00 36.38 H new ATOM 0 HD23 LEU C 753 -11.894 0.079 17.089 1.00 36.38 H new ATOM 1481 N ARG C 754 -11.342 -0.331 22.263 1.00 42.72 N ATOM 1482 CA ARG C 754 -10.920 0.292 23.524 1.00 46.81 C ATOM 1483 C ARG C 754 -9.446 0.635 23.513 1.00 49.37 C ATOM 1484 O ARG C 754 -9.057 1.806 23.634 1.00 49.81 O ATOM 1485 CB ARG C 754 -11.089 -0.674 24.685 1.00 46.92 C ATOM 1486 CG ARG C 754 -12.463 -0.917 25.177 1.00 48.50 C ATOM 1487 CD ARG C 754 -12.473 -2.194 26.008 1.00 52.21 C ATOM 1488 NE ARG C 754 -11.982 -2.003 27.374 1.00 54.41 N ATOM 1489 CZ ARG C 754 -10.791 -2.390 27.832 1.00 57.00 C ATOM 1490 NH1 ARG C 754 -9.916 -2.998 27.045 1.00 56.72 N ATOM 1491 NH2 ARG C 754 -10.470 -2.159 29.098 1.00 57.17 N ATOM 0 H ARG C 754 -11.639 -1.133 22.351 1.00 42.72 H new ATOM 0 HA ARG C 754 -11.468 1.086 23.621 1.00 46.81 H new ATOM 0 HB2 ARG C 754 -10.710 -1.527 24.422 1.00 46.92 H new ATOM 0 HB3 ARG C 754 -10.559 -0.345 25.428 1.00 46.92 H new ATOM 0 HG2 ARG C 754 -12.765 -0.166 25.712 1.00 48.50 H new ATOM 0 HG3 ARG C 754 -13.077 -0.998 24.430 1.00 48.50 H new ATOM 0 HD2 ARG C 754 -13.378 -2.542 26.042 1.00 52.21 H new ATOM 0 HD3 ARG C 754 -11.928 -2.864 25.566 1.00 52.21 H new ATOM 0 HE ARG C 754 -12.507 -1.607 27.929 1.00 54.41 H new ATOM 0 HH11 ARG C 754 -10.111 -3.150 26.221 1.00 56.72 H new ATOM 0 HH12 ARG C 754 -9.152 -3.241 27.358 1.00 56.72 H new ATOM 0 HH21 ARG C 754 -11.029 -1.762 29.618 1.00 57.17 H new ATOM 0 HH22 ARG C 754 -9.703 -2.406 29.399 1.00 57.17 H new ATOM 1492 N ARG C 755 -8.651 -0.424 23.357 1.00 52.47 N ATOM 1493 CA ARG C 755 -7.217 -0.460 23.674 1.00 55.25 C ATOM 1494 C ARG C 755 -6.355 0.233 22.636 1.00 56.82 C ATOM 1495 O ARG C 755 -5.186 0.535 22.888 1.00 57.28 O ATOM 1496 CB ARG C 755 -6.767 -1.919 23.789 1.00 55.52 C ATOM 1497 CG ARG C 755 -7.375 -2.676 24.957 1.00 57.13 C ATOM 1498 CD ARG C 755 -7.909 -4.016 24.508 1.00 59.24 C ATOM 1499 NE ARG C 755 -7.704 -5.039 25.530 1.00 61.56 N ATOM 1500 CZ ARG C 755 -7.590 -6.341 25.284 1.00 61.43 C ATOM 1501 NH1 ARG C 755 -7.664 -6.804 24.037 1.00 61.77 N ATOM 1502 NH2 ARG C 755 -7.392 -7.178 26.292 1.00 61.55 N ATOM 0 H ARG C 755 -8.942 -1.173 23.051 1.00 52.47 H new ATOM 0 HA ARG C 755 -7.102 0.018 24.510 1.00 55.25 H new ATOM 0 HB2 ARG C 755 -6.993 -2.381 22.966 1.00 55.52 H new ATOM 0 HB3 ARG C 755 -5.801 -1.942 23.871 1.00 55.52 H new ATOM 0 HG2 ARG C 755 -6.706 -2.805 25.648 1.00 57.13 H new ATOM 0 HG3 ARG C 755 -8.091 -2.153 25.349 1.00 57.13 H new ATOM 0 HD2 ARG C 755 -8.855 -3.939 24.310 1.00 59.24 H new ATOM 0 HD3 ARG C 755 -7.468 -4.284 23.687 1.00 59.24 H new ATOM 0 HE ARG C 755 -7.653 -4.781 26.349 1.00 61.56 H new ATOM 0 HH11 ARG C 755 -7.786 -6.259 23.383 1.00 61.77 H new ATOM 0 HH12 ARG C 755 -7.589 -7.647 23.886 1.00 61.77 H new ATOM 0 HH21 ARG C 755 -7.338 -6.878 27.096 1.00 61.55 H new ATOM 0 HH22 ARG C 755 -7.317 -8.022 26.142 1.00 61.55 H new ATOM 1503 N GLN C 756 -6.950 0.477 21.472 1.00 58.63 N ATOM 1504 CA GLN C 756 -6.243 0.967 20.307 1.00 60.47 C ATOM 1505 C GLN C 756 -6.045 2.476 20.396 1.00 60.88 C ATOM 1506 O GLN C 756 -6.720 3.149 21.183 1.00 61.53 O ATOM 1507 CB GLN C 756 -7.032 0.599 19.056 1.00 60.89 C ATOM 1508 CG GLN C 756 -6.197 0.142 17.873 1.00 62.80 C ATOM 1509 CD GLN C 756 -7.049 -0.577 16.828 1.00 64.96 C ATOM 1510 OE1 GLN C 756 -8.285 -0.576 16.908 1.00 65.81 O ATOM 1511 NE2 GLN C 756 -6.392 -1.199 15.849 1.00 64.69 N ATOM 0 H GLN C 756 -7.792 0.358 21.340 1.00 58.63 H new ATOM 0 HA GLN C 756 -5.365 0.556 20.265 1.00 60.47 H new ATOM 0 HB2 GLN C 756 -7.658 -0.106 19.282 1.00 60.89 H new ATOM 0 HB3 GLN C 756 -7.557 1.368 18.785 1.00 60.89 H new ATOM 0 HG2 GLN C 756 -5.764 0.909 17.466 1.00 62.80 H new ATOM 0 HG3 GLN C 756 -5.494 -0.451 18.182 1.00 62.80 H new ATOM 0 HE21 GLN C 756 -5.533 -1.178 15.827 1.00 64.69 H new ATOM 0 HE22 GLN C 756 -6.828 -1.622 15.240 1.00 64.69 H new ATOM 1512 N LYS C 757 -5.120 2.981 19.578 1.00 61.52 N ATOM 1513 CA LYS C 757 -4.625 4.374 19.599 1.00 61.73 C ATOM 1514 C LYS C 757 -3.527 4.594 20.648 1.00 61.97 C ATOM 1515 O LYS C 757 -2.421 4.996 20.293 1.00 61.96 O ATOM 1516 CB LYS C 757 -5.754 5.397 19.775 1.00 61.72 C ATOM 1517 CG LYS C 757 -5.413 6.792 19.281 1.00 60.95 C ATOM 1518 CD LYS C 757 -6.113 7.856 20.112 1.00 61.31 C ATOM 1519 CE LYS C 757 -7.631 7.637 20.211 1.00 60.93 C ATOM 1520 NZ LYS C 757 -8.345 7.706 18.893 1.00 60.60 N ATOM 1521 OXT LYS C 757 -3.708 4.389 21.856 1.00 62.23 O ATOM 0 H LYS C 757 -4.744 2.506 18.968 1.00 61.52 H new ATOM 0 HA LYS C 757 -4.229 4.521 18.726 1.00 61.73 H new ATOM 0 HB2 LYS C 757 -6.540 5.081 19.303 1.00 61.72 H new ATOM 0 HB3 LYS C 757 -5.989 5.446 20.715 1.00 61.72 H new ATOM 0 HG2 LYS C 757 -4.453 6.926 19.321 1.00 60.95 H new ATOM 0 HG3 LYS C 757 -5.673 6.881 18.351 1.00 60.95 H new ATOM 0 HD2 LYS C 757 -5.733 7.864 21.005 1.00 61.31 H new ATOM 0 HD3 LYS C 757 -5.942 8.728 19.723 1.00 61.31 H new ATOM 0 HE2 LYS C 757 -7.798 6.770 20.614 1.00 60.93 H new ATOM 0 HE3 LYS C 757 -8.006 8.304 20.807 1.00 60.93 H new ATOM 0 HZ1 LYS C 757 -9.216 7.572 19.019 1.00 60.60 H new ATOM 0 HZ2 LYS C 757 -8.219 8.508 18.528 1.00 60.60 H new ATOM 0 HZ3 LYS C 757 -8.025 7.079 18.348 1.00 60.60 H new TER 1522 LYS C 757 ATOM 1523 N GLY D -2 -33.787 -9.024 20.452 1.00 43.97 N ATOM 1524 CA GLY D -2 -33.508 -9.499 21.837 1.00 42.91 C ATOM 1525 C GLY D -2 -32.726 -8.434 22.561 1.00 42.48 C ATOM 1526 O GLY D -2 -31.939 -7.714 21.942 1.00 42.97 O ATOM 0 H1 GLY D -2 -33.555 -9.655 19.869 1.00 43.97 H new ATOM 0 H2 GLY D -2 -34.655 -8.848 20.368 1.00 43.97 H new ATOM 0 H3 GLY D -2 -33.318 -8.285 20.291 1.00 43.97 H new ATOM 0 HA2 GLY D -2 -34.338 -9.683 22.304 1.00 42.91 H new ATOM 0 HA3 GLY D -2 -33.006 -10.329 21.814 1.00 42.91 H new ATOM 1527 N GLY D -1 -32.935 -8.327 23.872 1.00 41.81 N ATOM 1528 CA GLY D -1 -32.286 -7.281 24.661 1.00 39.76 C ATOM 1529 C GLY D -1 -30.766 -7.376 24.681 1.00 38.48 C ATOM 1530 O GLY D -1 -30.097 -6.357 24.696 1.00 37.41 O ATOM 0 H GLY D -1 -33.448 -8.849 24.323 1.00 41.81 H new ATOM 0 HA2 GLY D -1 -32.542 -6.415 24.307 1.00 39.76 H new ATOM 0 HA3 GLY D -1 -32.616 -7.324 25.572 1.00 39.76 H new ATOM 1531 N SER D 0 -30.253 -8.606 24.679 1.00 37.78 N ATOM 1532 CA SER D 0 -28.809 -8.898 24.743 1.00 37.64 C ATOM 1533 C SER D 0 -28.109 -8.385 23.498 1.00 36.26 C ATOM 1534 O SER D 0 -27.041 -7.745 23.568 1.00 35.77 O ATOM 1535 CB SER D 0 -28.596 -10.422 24.820 1.00 37.96 C ATOM 1536 OG SER D 0 -29.035 -10.931 26.063 1.00 41.99 O ATOM 0 H SER D 0 -30.741 -9.313 24.640 1.00 37.78 H new ATOM 0 HA SER D 0 -28.443 -8.461 25.528 1.00 37.64 H new ATOM 0 HB2 SER D 0 -29.079 -10.857 24.100 1.00 37.96 H new ATOM 0 HB3 SER D 0 -27.656 -10.628 24.696 1.00 37.96 H new ATOM 0 HG SER D 0 -28.477 -11.489 26.350 1.00 41.99 H new HETATM 1537 N MSE D 1 -28.728 -8.686 22.354 1.00 35.61 N HETATM 1538 CA MSE D 1 -28.250 -8.230 21.055 1.00 35.61 C HETATM 1539 C MSE D 1 -28.392 -6.745 20.896 1.00 34.20 C HETATM 1540 O MSE D 1 -27.464 -6.087 20.439 1.00 33.62 O HETATM 1541 CB MSE D 1 -28.987 -8.933 19.901 1.00 36.57 C HETATM 1542 CG MSE D 1 -28.329 -8.741 18.549 1.00 37.97 C HETATM 1543 SE MSE D 1 -26.569 -9.655 18.513 1.00 46.73 SE HETATM 1544 CE MSE D 1 -27.197 -11.415 18.154 1.00 41.93 C HETATM 0 H MSE D 1 -29.442 -9.164 22.314 1.00 35.61 H new HETATM 0 HA MSE D 1 -27.308 -8.460 21.018 1.00 35.61 H new HETATM 0 HB2 MSE D 1 -29.041 -9.882 20.093 1.00 36.57 H new HETATM 0 HB3 MSE D 1 -29.897 -8.600 19.859 1.00 36.57 H new HETATM 0 HG2 MSE D 1 -28.900 -9.096 17.850 1.00 37.97 H new HETATM 0 HG3 MSE D 1 -28.214 -7.795 18.369 1.00 37.97 H new HETATM 0 HE1 MSE D 1 -26.443 -12.023 18.100 1.00 41.93 H new HETATM 0 HE2 MSE D 1 -27.790 -11.699 18.867 1.00 41.93 H new HETATM 0 HE3 MSE D 1 -27.678 -11.422 17.312 1.00 41.93 H new ATOM 1545 N GLU D 2 -29.541 -6.192 21.269 1.00 33.79 N ATOM 1546 CA GLU D 2 -29.735 -4.765 21.046 1.00 34.38 C ATOM 1547 C GLU D 2 -28.723 -3.907 21.828 1.00 32.74 C ATOM 1548 O GLU D 2 -28.173 -2.934 21.297 1.00 32.38 O ATOM 1549 CB GLU D 2 -31.211 -4.346 21.261 1.00 35.18 C ATOM 1550 CG GLU D 2 -31.664 -4.172 22.705 1.00 42.59 C ATOM 1551 CD GLU D 2 -31.975 -2.711 23.092 1.00 49.06 C ATOM 1552 OE1 GLU D 2 -31.399 -2.223 24.102 1.00 51.63 O ATOM 1553 OE2 GLU D 2 -32.800 -2.060 22.401 1.00 51.88 O ATOM 0 H GLU D 2 -30.198 -6.606 21.639 1.00 33.79 H new ATOM 0 HA GLU D 2 -29.545 -4.588 20.111 1.00 34.38 H new ATOM 0 HB2 GLU D 2 -31.361 -3.510 20.793 1.00 35.18 H new ATOM 0 HB3 GLU D 2 -31.780 -5.011 20.842 1.00 35.18 H new ATOM 0 HG2 GLU D 2 -32.456 -4.712 22.853 1.00 42.59 H new ATOM 0 HG3 GLU D 2 -30.973 -4.513 23.295 1.00 42.59 H new ATOM 1554 N ARG D 3 -28.476 -4.262 23.084 1.00 29.91 N ATOM 1555 CA ARG D 3 -27.547 -3.481 23.883 1.00 29.68 C ATOM 1556 C ARG D 3 -26.119 -3.582 23.361 1.00 27.65 C ATOM 1557 O ARG D 3 -25.397 -2.596 23.373 1.00 28.11 O ATOM 1558 CB ARG D 3 -27.627 -3.863 25.372 1.00 28.42 C ATOM 1559 CG ARG D 3 -27.112 -5.248 25.721 1.00 30.94 C ATOM 1560 CD ARG D 3 -27.465 -5.627 27.150 1.00 31.21 C ATOM 1561 NE ARG D 3 -26.833 -6.895 27.481 1.00 31.39 N ATOM 1562 CZ ARG D 3 -26.739 -7.439 28.694 1.00 34.65 C ATOM 1563 NH1 ARG D 3 -26.116 -8.606 28.842 1.00 33.35 N ATOM 1564 NH2 ARG D 3 -27.264 -6.832 29.756 1.00 33.72 N ATOM 0 H ARG D 3 -28.828 -4.937 23.484 1.00 29.91 H new ATOM 0 HA ARG D 3 -27.815 -2.552 23.801 1.00 29.68 H new ATOM 0 HB2 ARG D 3 -27.125 -3.210 25.885 1.00 28.42 H new ATOM 0 HB3 ARG D 3 -28.552 -3.798 25.657 1.00 28.42 H new ATOM 0 HG2 ARG D 3 -27.490 -5.899 25.109 1.00 30.94 H new ATOM 0 HG3 ARG D 3 -26.149 -5.276 25.606 1.00 30.94 H new ATOM 0 HD2 ARG D 3 -27.167 -4.936 27.762 1.00 31.21 H new ATOM 0 HD3 ARG D 3 -28.427 -5.698 27.249 1.00 31.21 H new ATOM 0 HE ARG D 3 -26.486 -7.337 26.830 1.00 31.39 H new ATOM 0 HH11 ARG D 3 -25.778 -9.003 28.158 1.00 33.35 H new ATOM 0 HH12 ARG D 3 -26.051 -8.963 29.622 1.00 33.35 H new ATOM 0 HH21 ARG D 3 -27.670 -6.079 29.664 1.00 33.72 H new ATOM 0 HH22 ARG D 3 -27.197 -7.192 30.534 1.00 33.72 H new ATOM 1565 N ILE D 4 -25.696 -4.778 22.941 1.00 27.66 N ATOM 1566 CA ILE D 4 -24.281 -4.928 22.471 1.00 25.99 C ATOM 1567 C ILE D 4 -24.053 -4.187 21.152 1.00 25.90 C ATOM 1568 O ILE D 4 -23.051 -3.541 20.947 1.00 23.71 O ATOM 1569 CB ILE D 4 -23.795 -6.393 22.460 1.00 26.70 C ATOM 1570 CG1 ILE D 4 -22.263 -6.458 22.521 1.00 27.51 C ATOM 1571 CG2 ILE D 4 -24.294 -7.177 21.204 1.00 26.33 C ATOM 1572 CD1 ILE D 4 -21.575 -5.891 23.756 1.00 27.68 C ATOM 0 H ILE D 4 -26.174 -5.492 22.914 1.00 27.66 H new ATOM 0 HA ILE D 4 -23.713 -4.497 23.128 1.00 25.99 H new ATOM 0 HB ILE D 4 -24.174 -6.814 23.247 1.00 26.70 H new ATOM 0 HG12 ILE D 4 -22.001 -7.388 22.435 1.00 27.51 H new ATOM 0 HG13 ILE D 4 -21.914 -5.992 21.745 1.00 27.51 H new ATOM 0 HG21 ILE D 4 -23.965 -8.089 21.240 1.00 26.33 H new ATOM 0 HG22 ILE D 4 -25.264 -7.183 21.191 1.00 26.33 H new ATOM 0 HG23 ILE D 4 -23.963 -6.746 20.401 1.00 26.33 H new ATOM 0 HD11 ILE D 4 -20.615 -5.994 23.668 1.00 27.68 H new ATOM 0 HD12 ILE D 4 -21.792 -4.950 23.844 1.00 27.68 H new ATOM 0 HD13 ILE D 4 -21.880 -6.368 24.544 1.00 27.68 H new ATOM 1573 N LYS D 5 -25.059 -4.226 20.292 1.00 26.50 N ATOM 1574 CA LYS D 5 -24.982 -3.452 19.041 1.00 27.99 C ATOM 1575 C LYS D 5 -25.046 -1.942 19.253 1.00 28.77 C ATOM 1576 O LYS D 5 -24.379 -1.166 18.548 1.00 30.34 O ATOM 1577 CB LYS D 5 -26.076 -3.891 18.101 1.00 28.69 C ATOM 1578 CG LYS D 5 -25.870 -5.238 17.461 1.00 30.26 C ATOM 1579 CD LYS D 5 -27.060 -5.551 16.506 1.00 32.51 C ATOM 1580 CE LYS D 5 -26.828 -6.831 15.760 1.00 37.39 C ATOM 1581 NZ LYS D 5 -27.980 -7.221 14.896 1.00 39.91 N ATOM 0 H LYS D 5 -25.782 -4.679 20.400 1.00 26.50 H new ATOM 0 HA LYS D 5 -24.112 -3.635 18.654 1.00 27.99 H new ATOM 0 HB2 LYS D 5 -26.915 -3.905 18.588 1.00 28.69 H new ATOM 0 HB3 LYS D 5 -26.166 -3.226 17.400 1.00 28.69 H new ATOM 0 HG2 LYS D 5 -25.036 -5.247 16.966 1.00 30.26 H new ATOM 0 HG3 LYS D 5 -25.802 -5.924 18.144 1.00 30.26 H new ATOM 0 HD2 LYS D 5 -27.882 -5.615 17.018 1.00 32.51 H new ATOM 0 HD3 LYS D 5 -27.174 -4.822 15.876 1.00 32.51 H new ATOM 0 HE2 LYS D 5 -26.034 -6.739 15.210 1.00 37.39 H new ATOM 0 HE3 LYS D 5 -26.652 -7.542 16.396 1.00 37.39 H new ATOM 0 HZ1 LYS D 5 -27.792 -7.984 14.477 1.00 39.91 H new ATOM 0 HZ2 LYS D 5 -28.706 -7.330 15.400 1.00 39.91 H new ATOM 0 HZ3 LYS D 5 -28.130 -6.582 14.295 1.00 39.91 H new ATOM 1582 N GLU D 6 -25.868 -1.507 20.195 1.00 28.57 N ATOM 1583 CA GLU D 6 -25.838 -0.124 20.648 1.00 29.57 C ATOM 1584 C GLU D 6 -24.432 0.267 21.203 1.00 27.39 C ATOM 1585 O GLU D 6 -23.928 1.354 20.891 1.00 28.89 O ATOM 1586 CB GLU D 6 -26.876 0.076 21.745 1.00 29.59 C ATOM 1587 CG GLU D 6 -28.350 0.234 21.319 1.00 35.46 C ATOM 1588 CD GLU D 6 -29.223 0.640 22.497 1.00 35.04 C ATOM 1589 OE1 GLU D 6 -29.337 1.861 22.748 1.00 44.14 O ATOM 1590 OE2 GLU D 6 -29.769 -0.244 23.208 1.00 44.16 O ATOM 0 H GLU D 6 -26.454 -1.999 20.588 1.00 28.57 H new ATOM 0 HA GLU D 6 -26.036 0.443 19.886 1.00 29.57 H new ATOM 0 HB2 GLU D 6 -26.820 -0.680 22.350 1.00 29.59 H new ATOM 0 HB3 GLU D 6 -26.626 0.864 22.252 1.00 29.59 H new ATOM 0 HG2 GLU D 6 -28.417 0.902 20.618 1.00 35.46 H new ATOM 0 HG3 GLU D 6 -28.673 -0.601 20.947 1.00 35.46 H new ATOM 1591 N LEU D 7 -23.803 -0.586 22.046 1.00 27.06 N ATOM 1592 CA LEU D 7 -22.441 -0.299 22.482 1.00 24.98 C ATOM 1593 C LEU D 7 -21.504 -0.229 21.285 1.00 25.91 C ATOM 1594 O LEU D 7 -20.638 0.656 21.237 1.00 22.86 O ATOM 1595 CB LEU D 7 -21.869 -1.329 23.520 1.00 24.15 C ATOM 1596 CG LEU D 7 -20.477 -1.020 24.149 1.00 24.72 C ATOM 1597 CD1 LEU D 7 -20.375 0.408 24.719 1.00 25.87 C ATOM 1598 CD2 LEU D 7 -20.158 -2.078 25.267 1.00 26.76 C ATOM 0 H LEU D 7 -24.145 -1.310 22.361 1.00 27.06 H new ATOM 0 HA LEU D 7 -22.490 0.558 22.933 1.00 24.98 H new ATOM 0 HB2 LEU D 7 -22.511 -1.414 24.242 1.00 24.15 H new ATOM 0 HB3 LEU D 7 -21.815 -2.194 23.085 1.00 24.15 H new ATOM 0 HG LEU D 7 -19.821 -1.078 23.437 1.00 24.72 H new ATOM 0 HD11 LEU D 7 -19.492 0.544 25.096 1.00 25.87 H new ATOM 0 HD12 LEU D 7 -20.526 1.052 24.009 1.00 25.87 H new ATOM 0 HD13 LEU D 7 -21.043 0.529 25.412 1.00 25.87 H new ATOM 0 HD21 LEU D 7 -19.291 -1.885 25.658 1.00 26.76 H new ATOM 0 HD22 LEU D 7 -20.840 -2.036 25.956 1.00 26.76 H new ATOM 0 HD23 LEU D 7 -20.146 -2.966 24.878 1.00 26.76 H new ATOM 1599 N ARG D 8 -21.656 -1.154 20.334 1.00 26.69 N ATOM 1600 CA ARG D 8 -20.766 -1.136 19.142 1.00 29.65 C ATOM 1601 C ARG D 8 -20.950 0.200 18.441 1.00 28.43 C ATOM 1602 O ARG D 8 -19.961 0.811 18.046 1.00 31.04 O ATOM 1603 CB ARG D 8 -21.106 -2.284 18.167 1.00 28.54 C ATOM 1604 CG ARG D 8 -20.559 -2.131 16.683 1.00 30.92 C ATOM 1605 CD ARG D 8 -21.023 -3.283 15.756 1.00 33.24 C ATOM 1606 NE ARG D 8 -22.442 -3.317 15.443 1.00 33.24 N ATOM 1607 CZ ARG D 8 -23.054 -4.396 14.940 1.00 37.93 C ATOM 1608 NH1 ARG D 8 -22.389 -5.532 14.702 1.00 37.49 N ATOM 1609 NH2 ARG D 8 -24.342 -4.359 14.672 1.00 38.56 N ATOM 0 H ARG D 8 -22.242 -1.783 20.347 1.00 26.69 H new ATOM 0 HA ARG D 8 -19.847 -1.257 19.427 1.00 29.65 H new ATOM 0 HB2 ARG D 8 -20.758 -3.111 18.536 1.00 28.54 H new ATOM 0 HB3 ARG D 8 -22.071 -2.375 18.128 1.00 28.54 H new ATOM 0 HG2 ARG D 8 -20.859 -1.285 16.317 1.00 30.92 H new ATOM 0 HG3 ARG D 8 -19.590 -2.105 16.700 1.00 30.92 H new ATOM 0 HD2 ARG D 8 -20.528 -3.224 14.924 1.00 33.24 H new ATOM 0 HD3 ARG D 8 -20.781 -4.126 16.171 1.00 33.24 H new ATOM 0 HE ARG D 8 -22.911 -2.611 15.588 1.00 33.24 H new ATOM 0 HH11 ARG D 8 -21.548 -5.581 14.873 1.00 37.49 H new ATOM 0 HH12 ARG D 8 -22.803 -6.213 14.378 1.00 37.49 H new ATOM 0 HH21 ARG D 8 -24.792 -3.641 14.820 1.00 38.56 H new ATOM 0 HH22 ARG D 8 -24.734 -5.053 14.349 1.00 38.56 H new ATOM 1610 N ASN D 9 -22.198 0.640 18.297 1.00 29.96 N ATOM 1611 CA ASN D 9 -22.505 1.942 17.641 1.00 30.06 C ATOM 1612 C ASN D 9 -21.879 3.120 18.392 1.00 29.58 C ATOM 1613 O ASN D 9 -21.289 4.001 17.779 1.00 29.71 O ATOM 1614 CB ASN D 9 -24.000 2.145 17.431 1.00 32.61 C ATOM 1615 CG ASN D 9 -24.324 3.316 16.455 1.00 35.47 C ATOM 1616 OD1 ASN D 9 -23.898 3.320 15.286 1.00 42.12 O ATOM 1617 ND2 ASN D 9 -25.094 4.290 16.940 1.00 39.42 N ATOM 0 H ASN D 9 -22.891 0.209 18.568 1.00 29.96 H new ATOM 0 HA ASN D 9 -22.098 1.910 16.761 1.00 30.06 H new ATOM 0 HB2 ASN D 9 -24.387 1.326 17.085 1.00 32.61 H new ATOM 0 HB3 ASN D 9 -24.421 2.318 18.287 1.00 32.61 H new ATOM 0 HD21 ASN D 9 -25.314 4.954 16.439 1.00 39.42 H new ATOM 0 HD22 ASN D 9 -25.371 4.255 17.754 1.00 39.42 H new ATOM 1618 N LEU D 10 -21.953 3.109 19.712 1.00 28.72 N ATOM 1619 CA LEU D 10 -21.295 4.153 20.504 1.00 27.74 C ATOM 1620 C LEU D 10 -19.768 4.190 20.417 1.00 26.89 C ATOM 1621 O LEU D 10 -19.180 5.252 20.422 1.00 26.83 O ATOM 1622 CB LEU D 10 -21.769 4.095 21.961 1.00 28.51 C ATOM 1623 CG LEU D 10 -23.106 4.779 22.196 1.00 31.04 C ATOM 1624 CD1 LEU D 10 -24.210 4.294 21.317 1.00 36.46 C ATOM 1625 CD2 LEU D 10 -23.477 4.750 23.637 1.00 28.86 C ATOM 0 H LEU D 10 -22.373 2.516 20.172 1.00 28.72 H new ATOM 0 HA LEU D 10 -21.572 4.989 20.097 1.00 27.74 H new ATOM 0 HB2 LEU D 10 -21.837 3.167 22.234 1.00 28.51 H new ATOM 0 HB3 LEU D 10 -21.099 4.509 22.527 1.00 28.51 H new ATOM 0 HG LEU D 10 -22.978 5.704 21.934 1.00 31.04 H new ATOM 0 HD11 LEU D 10 -25.026 4.776 21.526 1.00 36.46 H new ATOM 0 HD12 LEU D 10 -23.975 4.445 20.388 1.00 36.46 H new ATOM 0 HD13 LEU D 10 -24.348 3.345 21.465 1.00 36.46 H new ATOM 0 HD21 LEU D 10 -24.332 5.192 23.760 1.00 28.86 H new ATOM 0 HD22 LEU D 10 -23.543 3.830 23.936 1.00 28.86 H new ATOM 0 HD23 LEU D 10 -22.798 5.210 24.155 1.00 28.86 H new HETATM 1626 N MSE D 11 -19.125 3.028 20.311 1.00 26.42 N HETATM 1627 CA MSE D 11 -17.704 2.959 20.201 1.00 27.47 C HETATM 1628 C MSE D 11 -17.203 3.315 18.801 1.00 27.30 C HETATM 1629 O MSE D 11 -16.002 3.361 18.614 1.00 28.31 O HETATM 1630 CB MSE D 11 -17.143 1.576 20.598 1.00 26.43 C HETATM 1631 CG MSE D 11 -17.316 1.133 22.073 1.00 26.01 C HETATM 1632 SE MSE D 11 -16.342 2.213 23.268 1.00 30.59 SE HETATM 1633 CE MSE D 11 -14.619 1.646 22.711 1.00 30.42 C HETATM 0 H MSE D 11 -19.518 2.263 20.302 1.00 26.42 H new HETATM 0 HA MSE D 11 -17.375 3.622 20.828 1.00 27.47 H new HETATM 0 HB2 MSE D 11 -17.563 0.909 20.033 1.00 26.43 H new HETATM 0 HB3 MSE D 11 -16.195 1.566 20.391 1.00 26.43 H new HETATM 0 HG2 MSE D 11 -18.257 1.162 22.308 1.00 26.01 H new HETATM 0 HG3 MSE D 11 -17.029 0.211 22.167 1.00 26.01 H new HETATM 0 HE1 MSE D 11 -13.942 2.108 23.230 1.00 30.42 H new HETATM 0 HE2 MSE D 11 -14.533 0.689 22.847 1.00 30.42 H new HETATM 0 HE3 MSE D 11 -14.499 1.850 21.770 1.00 30.42 H new ATOM 1634 N SER D 12 -18.128 3.551 17.859 1.00 28.54 N ATOM 1635 CA SER D 12 -17.819 3.878 16.457 1.00 29.51 C ATOM 1636 C SER D 12 -17.683 5.363 16.213 1.00 30.95 C ATOM 1637 O SER D 12 -17.245 5.756 15.130 1.00 31.76 O ATOM 1638 CB SER D 12 -18.913 3.329 15.510 1.00 28.96 C ATOM 1639 OG SER D 12 -19.008 1.928 15.659 1.00 31.48 O ATOM 0 H SER D 12 -18.972 3.525 18.022 1.00 28.54 H new ATOM 0 HA SER D 12 -16.964 3.458 16.272 1.00 29.51 H new ATOM 0 HB2 SER D 12 -19.766 3.744 15.712 1.00 28.96 H new ATOM 0 HB3 SER D 12 -18.700 3.552 14.590 1.00 28.96 H new ATOM 0 HG SER D 12 -19.307 1.747 16.423 1.00 31.48 H new ATOM 1640 N GLN D 13 -18.044 6.172 17.209 1.00 32.94 N ATOM 1641 CA GLN D 13 -18.065 7.640 17.132 1.00 34.40 C ATOM 1642 C GLN D 13 -17.113 8.127 18.230 1.00 35.47 C ATOM 1643 O GLN D 13 -17.263 7.725 19.375 1.00 34.23 O ATOM 1644 CB GLN D 13 -19.482 8.142 17.399 1.00 35.53 C ATOM 1645 CG GLN D 13 -20.488 7.526 16.426 1.00 39.13 C ATOM 1646 CD GLN D 13 -21.934 7.579 16.880 1.00 44.08 C ATOM 1647 OE1 GLN D 13 -22.649 8.577 16.407 1.00 46.34 O flip ATOM 1648 NE2 GLN D 13 -22.413 6.710 17.618 1.00 45.53 N flip ATOM 0 H GLN D 13 -18.293 5.874 17.976 1.00 32.94 H new ATOM 0 HA GLN D 13 -17.794 7.966 16.259 1.00 34.40 H new ATOM 0 HB2 GLN D 13 -19.737 7.926 18.310 1.00 35.53 H new ATOM 0 HB3 GLN D 13 -19.504 9.109 17.320 1.00 35.53 H new ATOM 0 HG2 GLN D 13 -20.414 7.982 15.573 1.00 39.13 H new ATOM 0 HG3 GLN D 13 -20.245 6.599 16.274 1.00 39.13 H new ATOM 0 HE21 GLN D 13 -21.916 6.071 17.909 1.00 45.53 H new ATOM 0 HE22 GLN D 13 -23.243 6.744 17.840 1.00 45.53 H new ATOM 1649 N SER D 14 -16.138 8.972 17.877 1.00 35.61 N ATOM 1650 CA SER D 14 -14.989 9.231 18.736 1.00 36.29 C ATOM 1651 C SER D 14 -15.353 9.840 20.104 1.00 36.16 C ATOM 1652 O SER D 14 -14.687 9.528 21.089 1.00 34.81 O ATOM 1653 CB SER D 14 -13.947 10.094 18.026 1.00 36.98 C ATOM 1654 OG SER D 14 -14.495 11.361 17.725 1.00 39.62 O ATOM 0 H SER D 14 -16.129 9.407 17.135 1.00 35.61 H new ATOM 0 HA SER D 14 -14.607 8.359 18.921 1.00 36.29 H new ATOM 0 HB2 SER D 14 -13.164 10.197 18.589 1.00 36.98 H new ATOM 0 HB3 SER D 14 -13.655 9.657 17.211 1.00 36.98 H new ATOM 0 HG SER D 14 -13.885 11.875 17.463 1.00 39.62 H new ATOM 1655 N ARG D 15 -16.391 10.677 20.160 1.00 35.82 N ATOM 1656 CA ARG D 15 -16.730 11.378 21.403 1.00 36.99 C ATOM 1657 C ARG D 15 -17.221 10.377 22.409 1.00 36.35 C ATOM 1658 O ARG D 15 -16.693 10.296 23.526 1.00 37.00 O ATOM 1659 CB ARG D 15 -17.816 12.454 21.221 1.00 37.17 C ATOM 1660 CG ARG D 15 -18.188 13.171 22.536 1.00 41.10 C ATOM 1661 CD ARG D 15 -17.020 14.010 23.131 1.00 44.42 C ATOM 1662 NE ARG D 15 -17.202 14.288 24.558 1.00 47.04 N ATOM 1663 CZ ARG D 15 -16.469 13.758 25.541 1.00 49.46 C ATOM 1664 NH1 ARG D 15 -16.736 14.071 26.809 1.00 50.64 N ATOM 1665 NH2 ARG D 15 -15.466 12.923 25.273 1.00 48.08 N ATOM 0 H ARG D 15 -16.908 10.852 19.496 1.00 35.82 H new ATOM 0 HA ARG D 15 -15.923 11.827 21.701 1.00 36.99 H new ATOM 0 HB2 ARG D 15 -17.508 13.111 20.577 1.00 37.17 H new ATOM 0 HB3 ARG D 15 -18.611 12.043 20.848 1.00 37.17 H new ATOM 0 HG2 ARG D 15 -18.947 13.753 22.376 1.00 41.10 H new ATOM 0 HG3 ARG D 15 -18.469 12.511 23.189 1.00 41.10 H new ATOM 0 HD2 ARG D 15 -16.185 13.535 23.001 1.00 44.42 H new ATOM 0 HD3 ARG D 15 -16.948 14.848 22.648 1.00 44.42 H new ATOM 0 HE ARG D 15 -17.828 14.834 24.780 1.00 47.04 H new ATOM 0 HH11 ARG D 15 -17.378 14.613 26.992 1.00 50.64 H new ATOM 0 HH12 ARG D 15 -16.266 13.731 27.444 1.00 50.64 H new ATOM 0 HH21 ARG D 15 -15.283 12.718 24.458 1.00 48.08 H new ATOM 0 HH22 ARG D 15 -15.002 12.589 25.915 1.00 48.08 H new ATOM 1666 N THR D 16 -18.223 9.598 22.015 1.00 35.06 N ATOM 1667 CA THR D 16 -18.840 8.650 22.942 1.00 34.24 C ATOM 1668 C THR D 16 -17.894 7.511 23.260 1.00 33.17 C ATOM 1669 O THR D 16 -17.936 6.970 24.388 1.00 32.35 O ATOM 1670 CB THR D 16 -20.158 8.114 22.417 1.00 33.98 C ATOM 1671 OG1 THR D 16 -20.000 7.701 21.049 1.00 31.71 O ATOM 1672 CG2 THR D 16 -21.271 9.160 22.499 1.00 34.65 C ATOM 0 H THR D 16 -18.559 9.601 21.223 1.00 35.06 H new ATOM 0 HA THR D 16 -19.029 9.136 23.760 1.00 34.24 H new ATOM 0 HB THR D 16 -20.411 7.360 22.972 1.00 33.98 H new ATOM 0 HG1 THR D 16 -19.722 6.909 21.026 1.00 31.71 H new ATOM 0 HG21 THR D 16 -22.096 8.783 22.156 1.00 34.65 H new ATOM 0 HG22 THR D 16 -21.398 9.426 23.423 1.00 34.65 H new ATOM 0 HG23 THR D 16 -21.026 9.935 21.970 1.00 34.65 H new ATOM 1673 N ARG D 17 -17.033 7.151 22.300 1.00 32.76 N ATOM 1674 CA ARG D 17 -15.936 6.215 22.559 1.00 32.48 C ATOM 1675 C ARG D 17 -14.968 6.751 23.646 1.00 31.64 C ATOM 1676 O ARG D 17 -14.650 6.049 24.587 1.00 30.55 O ATOM 1677 CB ARG D 17 -15.206 5.854 21.277 1.00 32.00 C ATOM 1678 CG ARG D 17 -13.892 5.159 21.455 1.00 32.49 C ATOM 1679 CD ARG D 17 -13.406 4.641 20.122 1.00 33.02 C ATOM 1680 NE ARG D 17 -12.149 3.943 20.214 1.00 34.40 N ATOM 1681 CZ ARG D 17 -11.322 3.783 19.186 1.00 37.09 C ATOM 1682 NH1 ARG D 17 -11.647 4.288 17.999 1.00 43.14 N ATOM 1683 NH2 ARG D 17 -10.196 3.116 19.334 1.00 38.70 N ATOM 0 H ARG D 17 -17.069 7.440 21.491 1.00 32.76 H new ATOM 0 HA ARG D 17 -16.325 5.398 22.909 1.00 32.48 H new ATOM 0 HB2 ARG D 17 -15.784 5.287 20.743 1.00 32.00 H new ATOM 0 HB3 ARG D 17 -15.058 6.667 20.768 1.00 32.00 H new ATOM 0 HG2 ARG D 17 -13.240 5.771 21.831 1.00 32.49 H new ATOM 0 HG3 ARG D 17 -13.987 4.425 22.082 1.00 32.49 H new ATOM 0 HD2 ARG D 17 -14.074 4.045 19.749 1.00 33.02 H new ATOM 0 HD3 ARG D 17 -13.313 5.385 19.506 1.00 33.02 H new ATOM 0 HE ARG D 17 -11.922 3.612 20.975 1.00 34.40 H new ATOM 0 HH11 ARG D 17 -12.388 4.714 17.901 1.00 43.14 H new ATOM 0 HH12 ARG D 17 -11.117 4.188 17.329 1.00 43.14 H new ATOM 0 HH21 ARG D 17 -9.992 2.781 20.099 1.00 38.70 H new ATOM 0 HH22 ARG D 17 -9.665 3.016 18.665 1.00 38.70 H new ATOM 1684 N GLU D 18 -14.558 8.006 23.517 1.00 31.47 N ATOM 1685 CA GLU D 18 -13.764 8.697 24.533 1.00 34.17 C ATOM 1686 C GLU D 18 -14.447 8.607 25.897 1.00 31.85 C ATOM 1687 O GLU D 18 -13.828 8.137 26.849 1.00 32.47 O ATOM 1688 CB GLU D 18 -13.546 10.149 24.080 1.00 34.07 C ATOM 1689 CG GLU D 18 -12.432 10.904 24.764 1.00 39.59 C ATOM 1690 CD GLU D 18 -12.479 12.395 24.423 1.00 39.20 C ATOM 1691 OE1 GLU D 18 -12.872 12.735 23.278 1.00 44.67 O ATOM 1692 OE2 GLU D 18 -12.150 13.218 25.308 1.00 47.85 O ATOM 0 H GLU D 18 -14.734 8.490 22.828 1.00 31.47 H new ATOM 0 HA GLU D 18 -12.897 8.274 24.632 1.00 34.17 H new ATOM 0 HB2 GLU D 18 -13.371 10.147 23.126 1.00 34.07 H new ATOM 0 HB3 GLU D 18 -14.373 10.638 24.216 1.00 34.07 H new ATOM 0 HG2 GLU D 18 -12.502 10.787 25.724 1.00 39.59 H new ATOM 0 HG3 GLU D 18 -11.576 10.535 24.495 1.00 39.59 H new ATOM 1693 N ILE D 19 -15.718 9.003 26.005 1.00 30.07 N ATOM 1694 CA ILE D 19 -16.484 8.896 27.275 1.00 29.70 C ATOM 1695 C ILE D 19 -16.449 7.484 27.847 1.00 30.22 C ATOM 1696 O ILE D 19 -16.040 7.262 29.012 1.00 30.72 O ATOM 1697 CB ILE D 19 -17.953 9.335 27.090 1.00 28.97 C ATOM 1698 CG1 ILE D 19 -17.945 10.822 26.744 1.00 29.76 C ATOM 1699 CG2 ILE D 19 -18.821 8.999 28.344 1.00 28.70 C ATOM 1700 CD1 ILE D 19 -19.211 11.378 26.341 1.00 25.75 C ATOM 0 H ILE D 19 -16.167 9.341 25.354 1.00 30.07 H new ATOM 0 HA ILE D 19 -16.050 9.495 27.903 1.00 29.70 H new ATOM 0 HB ILE D 19 -18.370 8.842 26.366 1.00 28.97 H new ATOM 0 HG12 ILE D 19 -17.625 11.315 27.516 1.00 29.76 H new ATOM 0 HG13 ILE D 19 -17.305 10.967 26.030 1.00 29.76 H new ATOM 0 HG21 ILE D 19 -19.734 9.288 28.192 1.00 28.70 H new ATOM 0 HG22 ILE D 19 -18.807 8.042 28.501 1.00 28.70 H new ATOM 0 HG23 ILE D 19 -18.462 9.458 29.119 1.00 28.70 H new ATOM 0 HD11 ILE D 19 -19.102 12.322 26.144 1.00 25.75 H new ATOM 0 HD12 ILE D 19 -19.530 10.917 25.549 1.00 25.75 H new ATOM 0 HD13 ILE D 19 -19.855 11.270 27.058 1.00 25.75 H new ATOM 1701 N LEU D 20 -16.861 6.504 27.021 1.00 28.49 N ATOM 1702 CA LEU D 20 -17.025 5.138 27.498 1.00 29.83 C ATOM 1703 C LEU D 20 -15.699 4.506 27.921 1.00 30.62 C ATOM 1704 O LEU D 20 -15.678 3.653 28.825 1.00 29.58 O ATOM 1705 CB LEU D 20 -17.636 4.277 26.362 1.00 30.06 C ATOM 1706 CG LEU D 20 -19.099 3.862 26.290 1.00 33.21 C ATOM 1707 CD1 LEU D 20 -20.076 4.387 27.320 1.00 31.98 C ATOM 1708 CD2 LEU D 20 -19.630 3.971 24.869 1.00 31.67 C ATOM 0 H LEU D 20 -17.047 6.619 26.189 1.00 28.49 H new ATOM 0 HA LEU D 20 -17.606 5.168 28.274 1.00 29.83 H new ATOM 0 HB2 LEU D 20 -17.449 4.750 25.536 1.00 30.06 H new ATOM 0 HB3 LEU D 20 -17.122 3.455 26.341 1.00 30.06 H new ATOM 0 HG LEU D 20 -19.054 2.934 26.567 1.00 33.21 H new ATOM 0 HD11 LEU D 20 -20.960 4.033 27.138 1.00 31.98 H new ATOM 0 HD12 LEU D 20 -19.793 4.109 28.205 1.00 31.98 H new ATOM 0 HD13 LEU D 20 -20.101 5.356 27.278 1.00 31.98 H new ATOM 0 HD21 LEU D 20 -20.562 3.702 24.850 1.00 31.67 H new ATOM 0 HD22 LEU D 20 -19.553 4.889 24.564 1.00 31.67 H new ATOM 0 HD23 LEU D 20 -19.115 3.392 24.285 1.00 31.67 H new ATOM 1709 N THR D 21 -14.611 4.889 27.261 1.00 30.79 N ATOM 1710 CA THR D 21 -13.322 4.286 27.538 1.00 32.68 C ATOM 1711 C THR D 21 -12.621 4.937 28.712 1.00 33.70 C ATOM 1712 O THR D 21 -11.913 4.260 29.457 1.00 34.14 O ATOM 1713 CB THR D 21 -12.367 4.343 26.343 1.00 33.24 C ATOM 1714 OG1 THR D 21 -12.213 5.702 25.934 1.00 36.04 O ATOM 1715 CG2 THR D 21 -12.912 3.471 25.191 1.00 30.71 C ATOM 0 H THR D 21 -14.602 5.495 26.651 1.00 30.79 H new ATOM 0 HA THR D 21 -13.529 3.361 27.744 1.00 32.68 H new ATOM 0 HB THR D 21 -11.498 3.993 26.595 1.00 33.24 H new ATOM 0 HG1 THR D 21 -12.893 5.944 25.505 1.00 36.04 H new ATOM 0 HG21 THR D 21 -12.302 3.512 24.438 1.00 30.71 H new ATOM 0 HG22 THR D 21 -12.994 2.552 25.491 1.00 30.71 H new ATOM 0 HG23 THR D 21 -13.783 3.801 24.920 1.00 30.71 H new ATOM 1716 N LYS D 22 -12.823 6.233 28.888 1.00 34.82 N ATOM 1717 CA LYS D 22 -12.060 6.946 29.930 1.00 35.75 C ATOM 1718 C LYS D 22 -12.769 7.123 31.252 1.00 35.76 C ATOM 1719 O LYS D 22 -12.102 7.301 32.294 1.00 37.30 O ATOM 1720 CB LYS D 22 -11.598 8.308 29.440 1.00 36.04 C ATOM 1721 CG LYS D 22 -10.540 8.274 28.367 1.00 37.28 C ATOM 1722 CD LYS D 22 -10.276 9.685 27.926 1.00 41.85 C ATOM 1723 CE LYS D 22 -9.413 9.739 26.684 1.00 43.25 C ATOM 1724 NZ LYS D 22 -9.375 11.166 26.269 1.00 47.58 N ATOM 0 H LYS D 22 -13.375 6.714 28.437 1.00 34.82 H new ATOM 0 HA LYS D 22 -11.306 6.360 30.100 1.00 35.75 H new ATOM 0 HB2 LYS D 22 -12.367 8.793 29.102 1.00 36.04 H new ATOM 0 HB3 LYS D 22 -11.256 8.810 30.196 1.00 36.04 H new ATOM 0 HG2 LYS D 22 -9.727 7.867 28.706 1.00 37.28 H new ATOM 0 HG3 LYS D 22 -10.836 7.735 27.617 1.00 37.28 H new ATOM 0 HD2 LYS D 22 -11.119 10.132 27.753 1.00 41.85 H new ATOM 0 HD3 LYS D 22 -9.840 10.171 28.643 1.00 41.85 H new ATOM 0 HE2 LYS D 22 -8.520 9.407 26.868 1.00 43.25 H new ATOM 0 HE3 LYS D 22 -9.783 9.183 25.980 1.00 43.25 H new ATOM 0 HZ1 LYS D 22 -9.014 11.230 25.458 1.00 47.58 H new ATOM 0 HZ2 LYS D 22 -10.203 11.493 26.252 1.00 47.58 H new ATOM 0 HZ3 LYS D 22 -8.885 11.631 26.849 1.00 47.58 H new ATOM 1725 N THR D 23 -14.096 7.088 31.232 1.00 35.35 N ATOM 1726 CA THR D 23 -14.894 7.330 32.421 1.00 33.96 C ATOM 1727 C THR D 23 -15.059 6.077 33.252 1.00 33.48 C ATOM 1728 O THR D 23 -15.505 5.054 32.758 1.00 32.05 O ATOM 1729 CB THR D 23 -16.240 7.923 32.068 1.00 34.24 C ATOM 1730 OG1 THR D 23 -16.013 9.017 31.164 1.00 33.20 O ATOM 1731 CG2 THR D 23 -16.949 8.440 33.332 1.00 34.18 C ATOM 0 H THR D 23 -14.558 6.923 30.526 1.00 35.35 H new ATOM 0 HA THR D 23 -14.412 7.977 32.960 1.00 33.96 H new ATOM 0 HB THR D 23 -16.803 7.247 31.660 1.00 34.24 H new ATOM 0 HG1 THR D 23 -15.962 8.725 30.378 1.00 33.20 H new ATOM 0 HG21 THR D 23 -17.809 8.817 33.090 1.00 34.18 H new ATOM 0 HG22 THR D 23 -17.081 7.706 33.952 1.00 34.18 H new ATOM 0 HG23 THR D 23 -16.404 9.124 33.752 1.00 34.18 H new ATOM 1732 N THR D 24 -14.674 6.139 34.526 1.00 32.53 N ATOM 1733 CA THR D 24 -14.815 4.961 35.361 1.00 32.14 C ATOM 1734 C THR D 24 -16.229 4.872 35.888 1.00 32.63 C ATOM 1735 O THR D 24 -16.932 5.891 35.977 1.00 32.72 O ATOM 1736 CB THR D 24 -13.835 4.982 36.553 1.00 33.23 C ATOM 1737 OG1 THR D 24 -14.115 6.120 37.368 1.00 32.33 O ATOM 1738 CG2 THR D 24 -12.398 5.008 36.078 1.00 33.20 C ATOM 0 H THR D 24 -14.340 6.831 34.912 1.00 32.53 H new ATOM 0 HA THR D 24 -14.610 4.188 34.811 1.00 32.14 H new ATOM 0 HB THR D 24 -13.954 4.172 37.074 1.00 33.23 H new ATOM 0 HG1 THR D 24 -13.725 6.794 37.053 1.00 32.33 H new ATOM 0 HG21 THR D 24 -11.804 5.021 36.845 1.00 33.20 H new ATOM 0 HG22 THR D 24 -12.219 4.218 35.544 1.00 33.20 H new ATOM 0 HG23 THR D 24 -12.249 5.802 35.541 1.00 33.20 H new ATOM 1739 N VAL D 25 -16.661 3.678 36.287 1.00 31.48 N ATOM 1740 CA VAL D 25 -18.007 3.522 36.796 1.00 32.68 C ATOM 1741 C VAL D 25 -18.188 4.423 38.019 1.00 34.78 C ATOM 1742 O VAL D 25 -19.200 5.074 38.145 1.00 35.56 O ATOM 1743 CB VAL D 25 -18.341 2.063 37.147 1.00 32.61 C ATOM 1744 CG1 VAL D 25 -19.604 1.975 37.881 1.00 33.19 C ATOM 1745 CG2 VAL D 25 -18.499 1.258 35.847 1.00 30.60 C ATOM 0 H VAL D 25 -16.192 2.957 36.269 1.00 31.48 H new ATOM 0 HA VAL D 25 -18.624 3.784 36.094 1.00 32.68 H new ATOM 0 HB VAL D 25 -17.623 1.712 37.696 1.00 32.61 H new ATOM 0 HG11 VAL D 25 -19.793 1.047 38.091 1.00 33.19 H new ATOM 0 HG12 VAL D 25 -19.537 2.485 38.704 1.00 33.19 H new ATOM 0 HG13 VAL D 25 -20.321 2.335 37.336 1.00 33.19 H new ATOM 0 HG21 VAL D 25 -18.710 0.336 36.061 1.00 30.60 H new ATOM 0 HG22 VAL D 25 -19.216 1.638 35.316 1.00 30.60 H new ATOM 0 HG23 VAL D 25 -17.671 1.291 35.343 1.00 30.60 H new ATOM 1746 N ASP D 26 -17.193 4.468 38.895 1.00 37.00 N ATOM 1747 CA ASP D 26 -17.290 5.338 40.075 1.00 40.52 C ATOM 1748 C ASP D 26 -17.598 6.779 39.740 1.00 41.59 C ATOM 1749 O ASP D 26 -18.359 7.441 40.445 1.00 44.05 O ATOM 1750 CB ASP D 26 -15.999 5.279 40.876 1.00 40.71 C ATOM 1751 CG ASP D 26 -15.986 4.134 41.860 1.00 42.83 C ATOM 1752 OD1 ASP D 26 -17.078 3.766 42.361 1.00 48.66 O ATOM 1753 OD2 ASP D 26 -14.886 3.611 42.145 1.00 45.91 O ATOM 0 H ASP D 26 -16.464 4.015 38.833 1.00 37.00 H new ATOM 0 HA ASP D 26 -18.035 5.000 40.596 1.00 40.52 H new ATOM 0 HB2 ASP D 26 -15.248 5.189 40.269 1.00 40.71 H new ATOM 0 HB3 ASP D 26 -15.879 6.115 41.354 1.00 40.71 H new ATOM 1754 N HIS D 27 -16.991 7.288 38.688 1.00 42.54 N ATOM 1755 CA HIS D 27 -17.153 8.686 38.380 1.00 43.24 C ATOM 1756 C HIS D 27 -18.541 9.012 37.782 1.00 44.37 C ATOM 1757 O HIS D 27 -18.802 10.175 37.493 1.00 43.66 O ATOM 1758 CB HIS D 27 -15.990 9.178 37.509 1.00 42.95 C ATOM 1759 CG HIS D 27 -14.669 9.225 38.224 1.00 41.88 C ATOM 1760 ND1 HIS D 27 -13.459 9.254 37.560 1.00 39.62 N ATOM 1761 CD2 HIS D 27 -14.373 9.183 39.541 1.00 40.19 C ATOM 1762 CE1 HIS D 27 -12.477 9.269 38.444 1.00 40.64 C ATOM 1763 NE2 HIS D 27 -13.002 9.214 39.654 1.00 42.27 N ATOM 0 H HIS D 27 -16.488 6.847 38.147 1.00 42.54 H new ATOM 0 HA HIS D 27 -17.122 9.180 39.214 1.00 43.24 H new ATOM 0 HB2 HIS D 27 -15.909 8.598 36.736 1.00 42.95 H new ATOM 0 HB3 HIS D 27 -16.199 10.065 37.177 1.00 42.95 H new ATOM 0 HD2 HIS D 27 -14.983 9.141 40.242 1.00 40.19 H new ATOM 0 HE1 HIS D 27 -11.569 9.311 38.247 1.00 40.64 H new ATOM 0 HE2 HIS D 27 -12.560 9.200 40.392 1.00 42.27 H new HETATM 1764 N MSE D 28 -19.421 7.994 37.659 1.00 45.21 N HETATM 1765 CA MSE D 28 -20.726 8.103 36.982 1.00 46.59 C HETATM 1766 C MSE D 28 -21.777 8.763 37.837 1.00 46.84 C HETATM 1767 O MSE D 28 -22.548 9.565 37.333 1.00 46.75 O HETATM 1768 CB MSE D 28 -21.295 6.730 36.570 1.00 47.13 C HETATM 1769 CG MSE D 28 -20.652 6.056 35.374 1.00 47.31 C HETATM 1770 SE MSE D 28 -21.669 4.396 35.020 1.00 49.34 SE HETATM 1771 CE MSE D 28 -22.373 4.049 36.820 1.00 52.02 C HETATM 0 H MSE D 28 -19.268 7.209 37.974 1.00 45.21 H new HETATM 0 HA MSE D 28 -20.539 8.645 36.200 1.00 46.59 H new HETATM 0 HB2 MSE D 28 -21.222 6.132 37.330 1.00 47.13 H new HETATM 0 HB3 MSE D 28 -22.241 6.838 36.384 1.00 47.13 H new HETATM 0 HG2 MSE D 28 -20.671 6.641 34.600 1.00 47.31 H new HETATM 0 HG3 MSE D 28 -19.720 5.855 35.554 1.00 47.31 H new HETATM 0 HE1 MSE D 28 -22.910 3.241 36.808 1.00 52.02 H new HETATM 0 HE2 MSE D 28 -21.636 3.937 37.440 1.00 52.02 H new HETATM 0 HE3 MSE D 28 -22.922 4.797 37.103 1.00 52.02 H new ATOM 1772 N ALA D 29 -21.846 8.370 39.108 1.00 46.46 N ATOM 1773 CA ALA D 29 -22.701 9.048 40.073 1.00 46.81 C ATOM 1774 C ALA D 29 -22.301 10.508 40.008 1.00 46.20 C ATOM 1775 O ALA D 29 -23.145 11.375 39.802 1.00 47.02 O ATOM 1776 CB ALA D 29 -22.458 8.499 41.479 1.00 47.10 C ATOM 0 H ALA D 29 -21.402 7.708 39.431 1.00 46.46 H new ATOM 0 HA ALA D 29 -23.641 8.919 39.873 1.00 46.81 H new ATOM 0 HB1 ALA D 29 -23.033 8.959 42.110 1.00 47.10 H new ATOM 0 HB2 ALA D 29 -22.656 7.550 41.495 1.00 47.10 H new ATOM 0 HB3 ALA D 29 -21.530 8.640 41.726 1.00 47.10 H new ATOM 1777 N ILE D 30 -20.995 10.735 40.167 1.00 45.06 N ATOM 1778 CA ILE D 30 -20.373 12.062 40.194 1.00 44.44 C ATOM 1779 C ILE D 30 -20.781 12.924 38.988 1.00 42.90 C ATOM 1780 O ILE D 30 -21.525 13.896 39.158 1.00 42.91 O ATOM 1781 CB ILE D 30 -18.811 11.954 40.332 1.00 43.88 C ATOM 1782 CG1 ILE D 30 -18.443 11.062 41.534 1.00 45.22 C ATOM 1783 CG2 ILE D 30 -18.173 13.321 40.465 1.00 45.05 C ATOM 1784 CD1 ILE D 30 -16.928 10.901 41.793 1.00 44.79 C ATOM 0 H ILE D 30 -20.427 10.097 40.266 1.00 45.06 H new ATOM 0 HA ILE D 30 -20.708 12.518 40.982 1.00 44.44 H new ATOM 0 HB ILE D 30 -18.465 11.547 39.523 1.00 43.88 H new ATOM 0 HG12 ILE D 30 -18.856 11.431 42.331 1.00 45.22 H new ATOM 0 HG13 ILE D 30 -18.828 10.183 41.396 1.00 45.22 H new ATOM 0 HG21 ILE D 30 -17.212 13.223 40.548 1.00 45.05 H new ATOM 0 HG22 ILE D 30 -18.377 13.851 39.679 1.00 45.05 H new ATOM 0 HG23 ILE D 30 -18.522 13.766 41.253 1.00 45.05 H new ATOM 0 HD11 ILE D 30 -16.790 10.327 42.563 1.00 44.79 H new ATOM 0 HD12 ILE D 30 -16.507 10.503 41.015 1.00 44.79 H new ATOM 0 HD13 ILE D 30 -16.534 11.771 41.964 1.00 44.79 H new ATOM 1785 N ILE D 31 -20.310 12.578 37.787 1.00 41.59 N ATOM 1786 CA ILE D 31 -20.638 13.384 36.600 1.00 40.89 C ATOM 1787 C ILE D 31 -22.149 13.501 36.433 1.00 41.33 C ATOM 1788 O ILE D 31 -22.675 14.577 36.111 1.00 40.31 O ATOM 1789 CB ILE D 31 -19.999 12.820 35.292 1.00 41.19 C ATOM 1790 CG1 ILE D 31 -18.492 13.055 35.289 1.00 41.02 C ATOM 1791 CG2 ILE D 31 -20.662 13.446 34.047 1.00 40.83 C ATOM 1792 CD1 ILE D 31 -17.677 12.171 34.334 1.00 40.79 C ATOM 0 H ILE D 31 -19.809 11.895 37.636 1.00 41.59 H new ATOM 0 HA ILE D 31 -20.258 14.264 36.749 1.00 40.89 H new ATOM 0 HB ILE D 31 -20.154 11.863 35.262 1.00 41.19 H new ATOM 0 HG12 ILE D 31 -18.327 13.984 35.062 1.00 41.02 H new ATOM 0 HG13 ILE D 31 -18.159 12.920 36.190 1.00 41.02 H new ATOM 0 HG21 ILE D 31 -20.253 13.084 33.246 1.00 40.83 H new ATOM 0 HG22 ILE D 31 -21.610 13.240 34.047 1.00 40.83 H new ATOM 0 HG23 ILE D 31 -20.541 14.408 34.065 1.00 40.83 H new ATOM 0 HD11 ILE D 31 -16.737 12.397 34.407 1.00 40.79 H new ATOM 0 HD12 ILE D 31 -17.804 11.238 34.568 1.00 40.79 H new ATOM 0 HD13 ILE D 31 -17.975 12.319 33.423 1.00 40.79 H new ATOM 1793 N LYS D 32 -22.850 12.396 36.670 1.00 41.68 N ATOM 1794 CA LYS D 32 -24.292 12.361 36.454 1.00 43.30 C ATOM 1795 C LYS D 32 -25.063 13.251 37.467 1.00 44.15 C ATOM 1796 O LYS D 32 -26.134 13.764 37.146 1.00 43.94 O ATOM 1797 CB LYS D 32 -24.808 10.896 36.386 1.00 43.66 C ATOM 1798 CG LYS D 32 -24.479 10.109 35.057 1.00 43.62 C ATOM 1799 CD LYS D 32 -23.101 10.451 34.344 1.00 44.16 C ATOM 1800 CE LYS D 32 -22.438 9.219 33.633 1.00 42.93 C ATOM 1801 NZ LYS D 32 -21.214 9.375 32.662 1.00 34.69 N ATOM 0 H LYS D 32 -22.511 11.659 36.955 1.00 41.68 H new ATOM 0 HA LYS D 32 -24.476 12.757 35.588 1.00 43.30 H new ATOM 0 HB2 LYS D 32 -24.433 10.404 37.134 1.00 43.66 H new ATOM 0 HB3 LYS D 32 -25.770 10.905 36.506 1.00 43.66 H new ATOM 0 HG2 LYS D 32 -24.488 9.160 35.258 1.00 43.62 H new ATOM 0 HG3 LYS D 32 -25.196 10.272 34.424 1.00 43.62 H new ATOM 0 HD2 LYS D 32 -23.249 11.151 33.689 1.00 44.16 H new ATOM 0 HD3 LYS D 32 -22.484 10.805 35.003 1.00 44.16 H new ATOM 0 HE2 LYS D 32 -22.162 8.607 34.334 1.00 42.93 H new ATOM 0 HE3 LYS D 32 -23.139 8.776 33.130 1.00 42.93 H new ATOM 0 HZ1 LYS D 32 -20.721 8.635 32.685 1.00 34.69 H new ATOM 0 HZ2 LYS D 32 -21.508 9.510 31.833 1.00 34.69 H new ATOM 0 HZ3 LYS D 32 -20.719 10.069 32.917 1.00 34.69 H new ATOM 1802 N LYS D 33 -24.506 13.498 38.659 1.00 45.80 N ATOM 1803 CA LYS D 33 -25.128 14.480 39.584 1.00 46.89 C ATOM 1804 C LYS D 33 -25.220 15.902 39.002 1.00 47.78 C ATOM 1805 O LYS D 33 -26.218 16.604 39.215 1.00 47.34 O ATOM 1806 CB LYS D 33 -24.445 14.518 40.962 1.00 47.31 C ATOM 1807 CG LYS D 33 -25.076 15.557 41.932 1.00 46.71 C ATOM 1808 CD LYS D 33 -24.409 15.567 43.295 1.00 47.75 C ATOM 1809 CE LYS D 33 -24.969 16.668 44.189 1.00 49.61 C ATOM 1810 NZ LYS D 33 -24.607 16.432 45.620 1.00 51.01 N ATOM 0 H LYS D 33 -23.789 13.124 38.952 1.00 45.80 H new ATOM 0 HA LYS D 33 -26.034 14.155 39.703 1.00 46.89 H new ATOM 0 HB2 LYS D 33 -24.494 13.637 41.365 1.00 47.31 H new ATOM 0 HB3 LYS D 33 -23.504 14.724 40.844 1.00 47.31 H new ATOM 0 HG2 LYS D 33 -25.012 16.441 41.539 1.00 46.71 H new ATOM 0 HG3 LYS D 33 -26.020 15.362 42.040 1.00 46.71 H new ATOM 0 HD2 LYS D 33 -24.535 14.706 43.724 1.00 47.75 H new ATOM 0 HD3 LYS D 33 -23.453 15.692 43.187 1.00 47.75 H new ATOM 0 HE2 LYS D 33 -24.625 17.528 43.902 1.00 49.61 H new ATOM 0 HE3 LYS D 33 -25.934 16.704 44.098 1.00 49.61 H new ATOM 0 HZ1 LYS D 33 -24.943 17.085 46.123 1.00 51.01 H new ATOM 0 HZ2 LYS D 33 -24.941 15.651 45.886 1.00 51.01 H new ATOM 0 HZ3 LYS D 33 -23.721 16.419 45.704 1.00 51.01 H new ATOM 1811 N TYR D 34 -24.200 16.317 38.251 1.00 48.58 N ATOM 1812 CA TYR D 34 -24.151 17.684 37.721 1.00 50.25 C ATOM 1813 C TYR D 34 -24.439 17.717 36.223 1.00 51.48 C ATOM 1814 O TYR D 34 -23.957 18.593 35.484 1.00 51.34 O ATOM 1815 CB TYR D 34 -22.814 18.363 38.075 1.00 50.76 C ATOM 1816 CG TYR D 34 -22.327 18.014 39.463 1.00 50.43 C ATOM 1817 CD1 TYR D 34 -21.508 16.917 39.648 1.00 51.93 C ATOM 1818 CD2 TYR D 34 -22.699 18.764 40.584 1.00 50.70 C ATOM 1819 CE1 TYR D 34 -21.062 16.552 40.893 1.00 53.15 C ATOM 1820 CE2 TYR D 34 -22.244 18.410 41.868 1.00 51.76 C ATOM 1821 CZ TYR D 34 -21.420 17.290 41.996 1.00 52.99 C ATOM 1822 OH TYR D 34 -20.937 16.861 43.210 1.00 53.89 O ATOM 0 H TYR D 34 -23.528 15.826 38.036 1.00 48.58 H new ATOM 0 HA TYR D 34 -24.856 18.196 38.147 1.00 50.25 H new ATOM 0 HB2 TYR D 34 -22.142 18.102 37.426 1.00 50.76 H new ATOM 0 HB3 TYR D 34 -22.917 19.325 38.005 1.00 50.76 H new ATOM 0 HD1 TYR D 34 -21.252 16.413 38.909 1.00 51.93 H new ATOM 0 HD2 TYR D 34 -23.253 19.504 40.480 1.00 50.70 H new ATOM 0 HE1 TYR D 34 -20.517 15.805 40.991 1.00 53.15 H new ATOM 0 HE2 TYR D 34 -22.486 18.910 42.614 1.00 51.76 H new ATOM 0 HH TYR D 34 -21.209 17.374 43.817 1.00 53.89 H new ATOM 1823 N THR D 35 -25.236 16.739 35.792 1.00 52.83 N ATOM 1824 CA THR D 35 -25.768 16.670 34.434 1.00 53.89 C ATOM 1825 C THR D 35 -27.171 17.258 34.442 1.00 54.19 C ATOM 1826 O THR D 35 -27.337 18.456 34.659 1.00 54.59 O ATOM 1827 CB THR D 35 -25.817 15.213 33.922 1.00 54.03 C ATOM 1828 OG1 THR D 35 -24.627 14.927 33.166 1.00 54.37 O ATOM 1829 CG2 THR D 35 -27.026 14.996 33.031 1.00 54.94 C ATOM 0 H THR D 35 -25.486 16.085 36.292 1.00 52.83 H new ATOM 0 HA THR D 35 -25.188 17.171 33.840 1.00 53.89 H new ATOM 0 HB THR D 35 -25.878 14.623 34.689 1.00 54.03 H new ATOM 0 HG1 THR D 35 -24.654 14.134 32.890 1.00 54.37 H new ATOM 0 HG21 THR D 35 -27.039 14.077 32.720 1.00 54.94 H new ATOM 0 HG22 THR D 35 -27.835 15.178 33.534 1.00 54.94 H new ATOM 0 HG23 THR D 35 -26.978 15.594 32.269 1.00 54.94 H new TER 1830 THR D 35 HETATM 1831 O HOH A 2 -20.909 8.034 1.761 1.00 21.65 O HETATM 1832 O HOH A 3 -22.767 10.044 1.057 1.00 22.31 O HETATM 1833 O HOH A 5 -13.148 9.509 7.972 1.00 27.54 O HETATM 1834 O HOH A 6 -21.348 5.128 -4.302 1.00 28.68 O HETATM 1835 O HOH A 10 -14.780 -20.624 2.484 1.00 31.86 O HETATM 1836 O HOH A 11 -9.930 6.381 2.375 1.00 31.04 O HETATM 1837 O HOH A 12 -26.437 10.886 -1.487 1.00 33.02 O HETATM 1838 O HOH A 13 -28.144 8.609 4.735 1.00 34.59 O HETATM 1839 O HOH A 17 -9.826 3.633 2.311 1.00 34.34 O HETATM 1840 O HOH A 20 -7.681 -4.084 4.085 1.00 35.38 O HETATM 1841 O HOH A 21 -11.297 8.863 0.091 1.00 36.63 O HETATM 1842 O HOH A 25 -14.083 7.298 14.695 1.00 37.54 O HETATM 1843 O HOH A 26 -14.210 4.617 16.978 1.00 38.00 O HETATM 1844 O HOH A 37 -24.076 8.736 -2.926 1.00 39.45 O HETATM 1845 O HOH A 40 -16.653 -19.181 6.153 1.00 42.43 O HETATM 1846 O HOH A 42 -26.442 -4.936 -3.531 1.00 42.21 O HETATM 1847 O HOH A 43 -29.419 8.959 -1.253 1.00 43.06 O HETATM 1848 O HOH A 44 -9.342 1.856 -3.061 1.00 42.93 O HETATM 1849 O HOH A 46 -24.402 14.571 -4.725 1.00 41.29 O HETATM 1850 O HOH A 48 -27.254 20.964 -4.515 1.00 45.57 O HETATM 1851 O HOH A 52 -27.038 20.045 8.103 1.00 44.03 O HETATM 1852 O HOH A 57 -25.759 19.978 3.485 1.00 46.21 O HETATM 1853 O HOH A 58 -19.070 -22.018 2.897 1.00 48.74 O HETATM 1854 O HOH A 62 -17.487 9.038 -5.590 1.00 47.58 O HETATM 1855 O HOH A 63 -17.270 -20.099 3.511 1.00 48.85 O HETATM 1856 O HOH B 38 -30.257 8.955 7.785 1.00 40.82 O HETATM 1857 O HOH B 39 -21.793 5.718 3.000 1.00 20.64 O HETATM 1858 O HOH B 40 -28.451 8.916 1.868 1.00 34.18 O HETATM 1859 O HOH B 41 -21.008 -10.987 9.540 1.00 33.58 O HETATM 1860 O HOH B 42 -27.430 -0.794 7.796 1.00 36.80 O HETATM 1861 O HOH B 43 -17.883 -14.676 11.932 1.00 36.89 O HETATM 1862 O HOH B 44 -25.141 -7.059 2.399 1.00 37.52 O HETATM 1863 O HOH B 45 -5.480 -8.935 -6.615 1.00 38.89 O HETATM 1864 O HOH B 46 -5.205 -8.070 -9.415 1.00 41.71 O HETATM 1865 O HOH B 47 -11.252 -11.011 11.363 1.00 41.86 O HETATM 1866 O HOH B 49 -29.336 5.084 10.634 1.00 43.80 O HETATM 1867 O HOH B 56 -30.837 5.253 7.381 1.00 45.71 O HETATM 1868 O HOH B 61 -6.704 -11.489 -1.667 1.00 49.44 O HETATM 1869 O HOH C 7 -25.032 -10.540 26.863 1.00 30.39 O HETATM 1870 O HOH C 8 -15.715 -11.990 23.216 1.00 30.11 O HETATM 1871 O HOH C 15 -13.870 -7.221 14.386 1.00 33.82 O HETATM 1872 O HOH C 27 -10.521 -8.248 21.205 1.00 37.89 O HETATM 1873 O HOH C 28 -14.222 -8.728 29.383 1.00 39.86 O HETATM 1874 O HOH C 29 -21.080 -16.616 32.588 1.00 39.47 O HETATM 1875 O HOH C 30 -14.020 -6.064 29.724 1.00 39.70 O HETATM 1876 O HOH C 36 -14.783 -9.918 16.252 1.00 40.03 O HETATM 1877 O HOH C 41 -15.353 -4.434 35.000 1.00 41.37 O HETATM 1878 O HOH C 50 -17.591 -4.625 36.358 1.00 45.99 O HETATM 1879 O HOH C 53 -21.738 -15.559 14.512 1.00 46.38 O HETATM 1880 O HOH C 54 -30.446 -17.211 31.038 1.00 48.59 O HETATM 1881 O HOH C 55 -30.677 -4.840 29.519 1.00 45.57 O HETATM 1882 O HOH C 60 -23.772 -8.134 13.352 1.00 48.36 O HETATM 1883 O HOH D 38 -25.291 -8.113 25.446 1.00 26.96 O HETATM 1884 O HOH D 39 -22.835 8.457 19.560 1.00 41.80 O HETATM 1885 O HOH D 40 -27.006 -12.610 26.573 1.00 31.89 O HETATM 1886 O HOH D 41 -23.483 0.168 15.918 1.00 35.74 O HETATM 1887 O HOH D 42 -27.703 -7.529 32.355 1.00 37.42 O HETATM 1888 O HOH D 43 -20.438 9.837 14.960 1.00 38.38 O HETATM 1889 O HOH D 44 -12.021 9.629 42.391 1.00 42.51 O HETATM 1890 O HOH D 45 -18.098 12.039 17.977 1.00 42.89 O HETATM 1891 O HOH D 47 -29.509 2.676 25.275 1.00 42.28 O HETATM 1892 O HOH D 51 -12.088 8.083 34.711 1.00 44.85 O HETATM 1893 O HOH D 59 -12.946 5.147 42.098 1.00 47.44 O CONECT 20 27 CONECT 27 20 28 CONECT 28 27 29 31 CONECT 29 28 30 35 CONECT 30 29 CONECT 31 28 32 CONECT 32 31 33 CONECT 33 32 34 CONECT 34 33 CONECT 35 29 CONECT 239 243 CONECT 243 239 244 CONECT 244 243 245 247 CONECT 245 244 246 251 CONECT 246 245 CONECT 247 244 248 CONECT 248 247 249 CONECT 249 248 250 CONECT 250 249 CONECT 251 245 CONECT 269 272 CONECT 272 269 273 CONECT 273 272 274 276 CONECT 274 273 275 280 CONECT 275 274 CONECT 276 273 277 CONECT 277 276 278 CONECT 278 277 279 CONECT 279 278 CONECT 280 274 CONECT 482 488 CONECT 488 482 489 CONECT 489 488 490 492 CONECT 490 489 491 496 CONECT 491 490 CONECT 492 489 493 CONECT 493 492 494 CONECT 494 493 495 CONECT 495 494 CONECT 496 490 CONECT 618 622 CONECT 622 618 623 CONECT 623 622 624 626 CONECT 624 623 625 630 CONECT 625 624 CONECT 626 623 627 CONECT 627 626 628 CONECT 628 627 629 CONECT 629 628 CONECT 630 624 CONECT 705 711 CONECT 711 705 712 CONECT 712 711 713 715 CONECT 713 712 714 719 CONECT 714 713 CONECT 715 712 716 CONECT 716 715 717 CONECT 717 716 718 CONECT 718 717 CONECT 719 713 CONECT 841 849 CONECT 849 841 850 CONECT 850 849 851 853 CONECT 851 850 852 857 CONECT 852 851 CONECT 853 850 854 CONECT 854 853 855 CONECT 855 854 856 CONECT 856 855 CONECT 857 851 CONECT 935 942 CONECT 942 935 943 CONECT 943 942 944 946 CONECT 944 943 945 950 CONECT 945 944 CONECT 946 943 947 CONECT 947 946 948 CONECT 948 947 949 CONECT 949 948 CONECT 950 944 CONECT 1154 1158 CONECT 1158 1154 1159 CONECT 1159 1158 1160 1162 CONECT 1160 1159 1161 1166 CONECT 1161 1160 CONECT 1162 1159 1163 CONECT 1163 1162 1164 CONECT 1164 1163 1165 CONECT 1165 1164 CONECT 1166 1160 CONECT 1184 1187 CONECT 1187 1184 1188 CONECT 1188 1187 1189 1191 CONECT 1189 1188 1190 1195 CONECT 1190 1189 CONECT 1191 1188 1192 CONECT 1192 1191 1193 CONECT 1193 1192 1194 CONECT 1194 1193 CONECT 1195 1189 CONECT 1397 1403 CONECT 1403 1397 1404 CONECT 1404 1403 1405 1407 CONECT 1405 1404 1406 1411 CONECT 1406 1405 CONECT 1407 1404 1408 CONECT 1408 1407 1409 CONECT 1409 1408 1410 CONECT 1410 1409 CONECT 1411 1405 CONECT 1533 1537 CONECT 1537 1533 1538 CONECT 1538 1537 1539 1541 CONECT 1539 1538 1540 1545 CONECT 1540 1539 CONECT 1541 1538 1542 CONECT 1542 1541 1543 CONECT 1543 1542 1544 CONECT 1544 1543 CONECT 1545 1539 CONECT 1620 1626 CONECT 1626 1620 1627 CONECT 1627 1626 1628 1630 CONECT 1628 1627 1629 1634 CONECT 1629 1628 CONECT 1630 1627 1631 CONECT 1631 1630 1632 CONECT 1632 1631 1633 CONECT 1633 1632 CONECT 1634 1628 CONECT 1756 1764 CONECT 1764 1756 1765 CONECT 1765 1764 1766 1768 CONECT 1766 1765 1767 1772 CONECT 1767 1766 CONECT 1768 1765 1769 CONECT 1769 1768 1770 CONECT 1770 1769 1771 CONECT 1771 1770 CONECT 1772 1766 END