USER MOD reduce.3.24.130724 H: found=0, std=0, add=2056, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 22-OCT-13 4NB2 TITLE CRYSTAL STRUCTURE OF FOSB FROM STAPHYLOCOCCUS AUREUS AT 1.89 ANGSTROM TITLE 2 RESOLUTION - APO STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: METALLOTHIOL TRANSFERASE FOSB; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: FOSFOMYCIN RESISTANCE PROTEIN; COMPND 5 EC: 2.5.1.-; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; SOURCE 3 ORGANISM_TAXID: 158879; SOURCE 4 STRAIN: N315; SOURCE 5 GENE: FOSB, SA2124; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET20 KEYWDS BACILLITHIOL-S-TRANSFERASE, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR P.D.COOK,M.K.THOMPSON,M.C.GOODMAN,K.JAGESSAR,J.HARP,M.E.KEITHLY, AUTHOR 2 R.N.ARMSTRONG REVDAT 2 16-APR-14 4NB2 1 AUTHOR REVDAT 1 26-FEB-14 4NB2 0 JRNL AUTH M.K.THOMPSON,M.E.KEITHLY,M.C.GOODMAN,N.D.HAMMER,P.D.COOK, JRNL AUTH 2 K.L.JAGESSAR,J.HARP,E.P.SKAAR,R.N.ARMSTRONG JRNL TITL STRUCTURE AND FUNCTION OF THE GENOMICALLY ENCODED FOSFOMYCIN JRNL TITL 2 RESISTANCE ENZYME, FOSB, FROM STAPHYLOCOCCUS AUREUS. JRNL REF BIOCHEMISTRY V. 53 755 2014 JRNL REFN ISSN 0006-2960 JRNL PMID 24447055 JRNL DOI 10.1021/BI4015852 REMARK 2 REMARK 2 RESOLUTION. 1.89 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.6.0117 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) : 1.89 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 36.80 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 90.0 REMARK 3 NUMBER OF REFLECTIONS : 18192 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) : 0.189 REMARK 3 R VALUE (WORKING SET) : 0.186 REMARK 3 FREE R VALUE : 0.241 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 915 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) : 1.89 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.94 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1155 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 80.28 REMARK 3 BIN R VALUE (WORKING SET) : 0.2200 REMARK 3 BIN FREE R VALUE SET COUNT : 62 REMARK 3 BIN FREE R VALUE : 0.2900 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2055 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 5 REMARK 3 SOLVENT ATOMS : 161 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : NULL REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.97 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : -0.38000 REMARK 3 B22 (A**2) : -0.62000 REMARK 3 B33 (A**2) : 1.48000 REMARK 3 B12 (A**2) : -0.41000 REMARK 3 B13 (A**2) : -0.50000 REMARK 3 B23 (A**2) : 0.90000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.193 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.173 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.113 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 3.728 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.951 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.920 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2136 ; 0.020 ; 0.020 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2885 ; 2.027 ; 1.933 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 245 ; 7.801 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 113 ;41.764 ;23.540 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 378 ;17.543 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 12 ;18.341 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 312 ; 0.153 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1609 ; 0.010 ; 0.020 REMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL REMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL REMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL REMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL 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): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL REMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL 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 : MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.20 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: HYDROGENS HAVE BEEN USED IF PRESENT IN REMARK 3 THE INPUT U VALUES: REFINED INDIVIDUALLY REMARK 4 REMARK 4 4NB2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 25-OCT-13. REMARK 100 THE RCSB ID CODE IS RCSB082977. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 06-OCT-10 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : BRUKER AXS MICROSTAR REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.54 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : BRUKER PLATINUM 135 REMARK 200 INTENSITY-INTEGRATION SOFTWARE : PROTEUM PLUS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 18193 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.890 REMARK 200 RESOLUTION RANGE LOW (A) : 36.800 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 89.7 REMARK 200 DATA REDUNDANCY : NULL REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.89 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.94 REMARK 200 COMPLETENESS FOR SHELL (%) : 78.4 REMARK 200 DATA REDUNDANCY IN SHELL : 1.27 REMARK 200 R MERGE FOR SHELL (I) : 0.34340 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.000 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: NULL REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 33.67 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.85 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PEG 3350, AMMONIUM SULFATE, PH 7.5, REMARK 280 VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 303K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,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 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 5340 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 12840 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -55.0 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 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 MET A -6 REMARK 465 HIS A -5 REMARK 465 HIS A -4 REMARK 465 HIS A -3 REMARK 465 HIS A -2 REMARK 465 HIS A -1 REMARK 465 ARG A 57 REMARK 465 ASN A 58 REMARK 465 GLU A 59 REMARK 465 ILE A 60 REMARK 465 HIS A 61 REMARK 465 GLU A 92 REMARK 465 GLY A 93 REMARK 465 ARG A 94 REMARK 465 VAL A 95 REMARK 465 ARG A 96 REMARK 465 ASP A 97 REMARK 465 ILE A 98 REMARK 465 ARG A 99 REMARK 465 ASP A 100 REMARK 465 ARG A 101 REMARK 465 TYR A 127 REMARK 465 TYR A 128 REMARK 465 LYS A 129 REMARK 465 GLU A 130 REMARK 465 ALA A 131 REMARK 465 LYS A 139 REMARK 465 MET B -6 REMARK 465 HIS B -5 REMARK 465 HIS B -4 REMARK 465 HIS B -3 REMARK 465 HIS B -2 REMARK 465 ASP B 54 REMARK 465 ILE B 55 REMARK 465 PRO B 56 REMARK 465 ARG B 57 REMARK 465 ASN B 58 REMARK 465 GLU B 59 REMARK 465 ILE B 60 REMARK 465 HIS B 61 REMARK 465 PHE B 62 REMARK 465 LYS B 129 REMARK 465 GLU B 130 REMARK 465 ALA B 131 REMARK 465 LYS B 132 REMARK 465 PRO B 133 REMARK 465 HIS B 134 REMARK 465 LYS B 139 REMARK 470 REMARK 470 MISSING ATOM REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 470 I=INSERTION CODE): REMARK 470 M RES CSSEQI ATOMS REMARK 470 MET B 1 CG SD CE 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 HIS A 7 CG HIS A 7 CD2 0.057 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 ASP A 72 CB - CG - OD2 ANGL. DEV. = 5.9 DEGREES REMARK 500 ARG B 82 NE - CZ - NH1 ANGL. DEV. = 3.1 DEGREES REMARK 500 ASP B 108 CB - CG - OD2 ANGL. DEV. = 6.7 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 LYS A 35 -133.44 34.72 REMARK 500 LYS A 36 -29.49 89.71 REMARK 500 ASN A 89 96.25 -63.94 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 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE 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: (10X,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 LYS A 36 23.5 L L OUTSIDE RANGE REMARK 500 HIS B 0 23.6 L L OUTSIDE RANGE REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 B 201 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4NAY RELATED DB: PDB REMARK 900 RELATED ID: 4NAZ RELATED DB: PDB REMARK 900 RELATED ID: 4NB0 RELATED DB: PDB REMARK 900 RELATED ID: 4NB1 RELATED DB: PDB DBREF 4NB2 A 1 139 UNP P60864 FOSB_STAAN 1 139 DBREF 4NB2 B 1 139 UNP P60864 FOSB_STAAN 1 139 SEQADV 4NB2 MET A -6 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS A -5 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS A -4 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS A -3 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS A -2 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS A -1 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS A 0 UNP P60864 EXPRESSION TAG SEQADV 4NB2 MET B -6 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS B -5 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS B -4 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS B -3 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS B -2 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS B -1 UNP P60864 EXPRESSION TAG SEQADV 4NB2 HIS B 0 UNP P60864 EXPRESSION TAG SEQRES 1 A 146 MET HIS HIS HIS HIS HIS HIS MET LEU LYS SER ILE ASN SEQRES 2 A 146 HIS ILE CYS PHE SER VAL ARG ASN LEU ASN ASP SER ILE SEQRES 3 A 146 HIS PHE TYR ARG ASP ILE LEU LEU GLY LYS LEU LEU LEU SEQRES 4 A 146 THR GLY LYS LYS THR ALA TYR PHE GLU LEU ALA GLY LEU SEQRES 5 A 146 TRP ILE ALA LEU ASN GLU GLU LYS ASP ILE PRO ARG ASN SEQRES 6 A 146 GLU ILE HIS PHE SER TYR THR HIS ILE ALA PHE THR ILE SEQRES 7 A 146 ASP ASP SER GLU PHE LYS TYR TRP HIS GLN ARG LEU LYS SEQRES 8 A 146 ASP ASN ASN VAL ASN ILE LEU GLU GLY ARG VAL ARG ASP SEQRES 9 A 146 ILE ARG ASP ARG GLN SER ILE TYR PHE THR ASP PRO ASP SEQRES 10 A 146 GLY HIS LYS LEU GLU LEU HIS THR GLY THR LEU GLU ASN SEQRES 11 A 146 ARG LEU ASN TYR TYR LYS GLU ALA LYS PRO HIS MET THR SEQRES 12 A 146 PHE TYR LYS SEQRES 1 B 146 MET HIS HIS HIS HIS HIS HIS MET LEU LYS SER ILE ASN SEQRES 2 B 146 HIS ILE CYS PHE SER VAL ARG ASN LEU ASN ASP SER ILE SEQRES 3 B 146 HIS PHE TYR ARG ASP ILE LEU LEU GLY LYS LEU LEU LEU SEQRES 4 B 146 THR GLY LYS LYS THR ALA TYR PHE GLU LEU ALA GLY LEU SEQRES 5 B 146 TRP ILE ALA LEU ASN GLU GLU LYS ASP ILE PRO ARG ASN SEQRES 6 B 146 GLU ILE HIS PHE SER TYR THR HIS ILE ALA PHE THR ILE SEQRES 7 B 146 ASP ASP SER GLU PHE LYS TYR TRP HIS GLN ARG LEU LYS SEQRES 8 B 146 ASP ASN ASN VAL ASN ILE LEU GLU GLY ARG VAL ARG ASP SEQRES 9 B 146 ILE ARG ASP ARG GLN SER ILE TYR PHE THR ASP PRO ASP SEQRES 10 B 146 GLY HIS LYS LEU GLU LEU HIS THR GLY THR LEU GLU ASN SEQRES 11 B 146 ARG LEU ASN TYR TYR LYS GLU ALA LYS PRO HIS MET THR SEQRES 12 B 146 PHE TYR LYS HET SO4 B 201 5 HETNAM SO4 SULFATE ION FORMUL 3 SO4 O4 S 2- FORMUL 4 HOH *161(H2 O) HELIX 1 1 ASN A 14 ASP A 24 1 11 HELIX 2 2 ASP A 72 SER A 74 5 3 HELIX 3 3 GLU A 75 ASN A 86 1 12 HELIX 4 4 THR A 120 ASN A 126 1 7 HELIX 5 5 ASN B 14 ASP B 24 1 11 HELIX 6 6 ASP B 72 SER B 74 5 3 HELIX 7 7 GLU B 75 ASN B 86 1 12 HELIX 8 8 THR B 120 TYR B 128 1 9 SHEET 1 A 9 ILE B 90 LEU B 91 0 SHEET 2 A 9 SER B 103 THR B 107 -1 O TYR B 105 N LEU B 91 SHEET 3 A 9 LYS B 113 HIS B 117 -1 O LEU B 114 N PHE B 106 SHEET 4 A 9 THR B 65 THR B 70 1 N PHE B 69 O GLU B 115 SHEET 5 A 9 SER A 4 VAL A 12 -1 N SER A 4 O THR B 70 SHEET 6 A 9 LEU A 45 GLU A 51 1 O ALA A 48 N ILE A 8 SHEET 7 A 9 THR A 37 LEU A 42 -1 N ALA A 38 O LEU A 49 SHEET 8 A 9 LYS A 29 THR A 33 -1 N LYS A 29 O GLU A 41 SHEET 9 A 9 THR B 136 PHE B 137 -1 O THR B 136 N THR A 33 SHEET 1 B 8 SER A 103 THR A 107 0 SHEET 2 B 8 LYS A 113 HIS A 117 -1 O LEU A 114 N PHE A 106 SHEET 3 B 8 THR A 65 THR A 70 1 N PHE A 69 O GLU A 115 SHEET 4 B 8 SER B 4 VAL B 12 -1 O ASN B 6 N ALA A 68 SHEET 5 B 8 LEU B 45 GLU B 51 1 O ALA B 48 N ILE B 8 SHEET 6 B 8 THR B 37 LEU B 42 -1 N LEU B 42 O LEU B 45 SHEET 7 B 8 LYS B 29 GLY B 34 -1 N LEU B 31 O TYR B 39 SHEET 8 B 8 THR A 136 PHE A 137 -1 N THR A 136 O THR B 33 CISPEP 1 LYS A 35 LYS A 36 0 0.41 SITE *** AC1 7 ARG B 94 VAL B 95 ARG B 96 ASP B 97 SITE *** AC1 7 ILE B 98 ARG B 99 HOH B 394 CRYST1 40.608 44.825 45.665 119.30 106.79 97.92 P 1 2 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 0.024626 0.003427 0.011261 0.00000 SCALE2 0.000000 0.022524 0.015147 0.00000 SCALE3 0.000000 0.000000 0.027566 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: B 120 THR OG1 : rot 180:sc= 0.206 USER MOD Set 1.2: B 123 ASN : amide:sc= -0.363 K(o=-0.16,f=-3.9!) USER MOD Set 2.1: B 89 ASN : amide:sc= 0.239 X(o=0.94,f=0.62) USER MOD Set 2.2: B 107 THR OG1 : rot -105:sc= 0.702 USER MOD Set 3.1: B 80 HIS : no HD1:sc= 1.76 K(o=2.2,f=-5.1!) USER MOD Set 3.2: B 84 LYS NZ :NH3+ -145:sc= 0.437 (180deg=-0.0168) USER MOD Set 4.1: A 6 ASN : amide:sc= 1.7 K(o=1.4,f=2.2) USER MOD Set 4.2: A 7 HIS : no HE2:sc= -0.946 K(o=1.4,f=-1.6!) USER MOD Set 4.3: B 66 HIS : no HE2:sc= -1.37 K(o=1.4,f=4.5) USER MOD Set 4.4: B 70 THR OG1 : rot 180:sc= 1.08 USER MOD Set 4.5: B 103 SER OG : rot -115:sc= 0.14 USER MOD Set 4.6: B 117 HIS : no HD1:sc= 0.763 K(o=1.4,f=0.47!) USER MOD Set 5.1: B 14 ASN : amide:sc= 1.11 K(o=1.6,f=-3.4!) USER MOD Set 5.2: B 53 LYS NZ :NH3+ -162:sc= 0.523 (180deg=0.143) USER MOD Set 6.1: B 37 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: B 50 ASN : amide:sc= -1.01 K(o=-1,f=-0.022) USER MOD Set 7.1: A 103 SER OG : rot -86:sc= 2.28 USER MOD Set 7.2: A 105 TYR OH : rot 30:sc= 0.771 USER MOD Set 7.3: A 117 HIS : no HD1:sc= 2.18 K(o=5.2,f=-8.6!) USER MOD Set 8.1: A 89 ASN : amide:sc= 0.127 K(o=0.59,f=-0.049) USER MOD Set 8.2: A 107 THR OG1 : rot 85:sc= 0.46 USER MOD Set 9.1: A 66 HIS : no HD1:sc= 1.29 K(o=6.1,f=-3.9!) USER MOD Set 9.2: A 70 THR OG1 : rot -169:sc= 1.27 USER MOD Set 9.3: B 6 ASN : amide:sc= 2.52 K(o=6.1,f=5.1) USER MOD Set 9.4: B 7 HIS : no HE2:sc= 1.06 K(o=6.1,f=-2.4!) USER MOD Set10.1: A 14 ASN : amide:sc= 0.509 K(o=1.2,f=-3.1!) USER MOD Set10.2: A 53 LYS NZ :NH3+ 169:sc= 0.663 (180deg=0.838) USER MOD Set11.1: A 9 CYS SG : rot 179:sc= -2.02! USER MOD Set11.2: A 50 ASN : amide:sc= -2.02! K(o=-4!,f=-2) USER MOD Single : A 0 HIS : no HE2:sc= 0.67 K(o=0.67,f=-5.4!) USER MOD Single : A 0 HIS N :NH3+ -165:sc= 0 (180deg=-0.245) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -115:sc= -0.909 (180deg=-3.25!) USER MOD Single : A 4 SER OG : rot -128:sc= 1.32 USER MOD Single : A 11 SER OG : rot -84:sc= 0.245 USER MOD Single : A 16 ASN : amide:sc= -0.0116 K(o=-0.012,f=-1.3) USER MOD Single : A 18 SER OG : rot -92:sc= 2.17 USER MOD Single : A 20 HIS : no HE2:sc= 1.7 K(o=2,f=-7.8!) USER MOD Single : A 22 TYR OH : rot 171:sc= 1.3 USER MOD Single : A 29 LYS NZ :NH3+ 169:sc=-0.00718 (180deg=-0.093) USER MOD Single : A 33 THR OG1 : rot 169:sc= 1.6 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 162:sc=0.000216 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 30:sc= 0.314 USER MOD Single : A 74 SER OG A: rot 180:sc= 0 USER MOD Single : A 74 SER OG B: rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -0.542 K(o=-0.54,f=-1.7) USER MOD Single : A 81 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 84 LYS NZ :NH3+ -154:sc= -0.0682 (180deg=-0.32) USER MOD Single : A 86 ASN : amide:sc= 1.54 X(o=1.5,f=1.2) USER MOD Single : A 87 ASN : amide:sc= -0.873 X(o=-0.87,f=-0.69) USER MOD Single : A 102 GLN : amide:sc= -0.689 K(o=-0.69,f=0) USER MOD Single : A 112 HIS : no HD1:sc= -0.12 K(o=-0.12,f=-5.1!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 157:sc= 0.401 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.307 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 ASN : amide:sc=-0.00426 X(o=-0.0043,f=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 HIS : no HE2:sc= -3.16! C(o=-3.2!,f=-2.4!) USER MOD Single : A 135 MET CE :methyl -153:sc= -0.609 (180deg=-1.88) USER MOD Single : A 136 THR OG1 : rot 74:sc= 1.23 USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : B 0 HIS : no HE2:sc= 0.827 K(o=0.83,f=-5.4!) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 SER OG : rot -129:sc= 1.05 USER MOD Single : B 9 CYS SG : rot 180:sc= 0 USER MOD Single : B -1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B -1 HIS N :NH3+ 165:sc= 0.108 (180deg=0.0632) USER MOD Single : B 11 SER OG A: rot -139:sc= 0.838 USER MOD Single : B 11 SER OG B: rot -160:sc= -0.154 USER MOD Single : B 16 ASN : amide:sc= -1.61! K(o=-1.6!,f=0.53) USER MOD Single : B 18 SER OG : rot -91:sc= 2.11 USER MOD Single : B 20 HIS : no HE2:sc= 1.73 K(o=1.9,f=-7.1!) USER MOD Single : B 22 TYR OH : rot 163:sc= 1.3 USER MOD Single : B 29 LYS NZ :NH3+ 161:sc= -0.0146 (180deg=-0.465) USER MOD Single : B 33 THR OG1 : rot 93:sc= 1.01 USER MOD Single : B 35 LYS NZ :NH3+ -169:sc= -6.33! (180deg=-6.89!) USER MOD Single : B 36 LYS NZ :NH3+ -126:sc= 1.13 (180deg=-0.887) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 63 SER OG : rot 180:sc= 0 USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 65 THR OG1 : rot 20:sc= 0.498 USER MOD Single : B 74 SER OG : rot 180:sc= 0 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 78 TYR OH : rot 150:sc= 0 USER MOD Single : B 81 GLN : amide:sc= -1.11 K(o=-1.1,f=1.1) USER MOD Single : B 86 ASN : amide:sc= 1.65 K(o=1.6,f=0.98) USER MOD Single : B 87 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.024) USER MOD Single : B 102 GLN : amide:sc= -4.5! K(o=-4.5!,f=-0.31) USER MOD Single : B 105 TYR OH : rot 180:sc= 0.00322 USER MOD Single : B 112 HIS : no HD1:sc= 1.63 K(o=1.6,f=-5.6!) USER MOD Single : B 113 LYS NZ A:NH3+ 150:sc= -0.611 (180deg=-3.1!) USER MOD Single : B 113 LYS NZ B:NH3+ -178:sc= 0.115 (180deg=0.114) USER MOD Single : B 118 THR OG1 : rot -134:sc= 2.34 USER MOD Single : B 126 ASN : amide:sc= 0.258 X(o=0.26,f=0.51) USER MOD Single : B 127 TYR OH : rot 180:sc= 0 USER MOD Single : B 128 TYR OH : rot 180:sc= 0.218 USER MOD Single : B 135 MET CE :methyl -176:sc= -4.9! (180deg=-5.27!) USER MOD Single : B 136 THR OG1 : rot 92:sc= 2.49 USER MOD Single : B 138 TYR OH : rot 139:sc= 1.6 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 0 4.726 -10.758 32.897 1.00 40.34 N ATOM 2 CA HIS A 0 5.394 -10.119 31.727 1.00 36.59 C ATOM 3 C HIS A 0 4.408 -9.794 30.615 1.00 41.13 C ATOM 4 O HIS A 0 3.950 -10.684 29.870 1.00 41.26 O ATOM 5 CB HIS A 0 6.497 -11.009 31.193 1.00 37.88 C ATOM 6 CG HIS A 0 7.428 -11.533 32.261 1.00 39.14 C ATOM 7 ND1 HIS A 0 8.152 -10.721 33.052 1.00 39.68 N ATOM 8 CD2 HIS A 0 7.753 -12.834 32.636 1.00 43.02 C ATOM 9 CE1 HIS A 0 8.904 -11.460 33.899 1.00 42.34 C ATOM 10 NE2 HIS A 0 8.667 -12.753 33.639 1.00 44.08 N ATOM 0 H1 HIS A 0 5.272 -10.736 33.599 1.00 40.34 H new ATOM 0 H2 HIS A 0 3.978 -10.317 33.089 1.00 40.34 H new ATOM 0 H3 HIS A 0 4.529 -11.604 32.701 1.00 40.34 H new ATOM 0 HA HIS A 0 5.777 -9.284 32.038 1.00 36.59 H new ATOM 0 HB2 HIS A 0 6.098 -11.760 30.727 1.00 37.88 H new ATOM 0 HB3 HIS A 0 7.014 -10.512 30.540 1.00 37.88 H new ATOM 0 HD1 HIS A 0 8.139 -9.862 33.023 1.00 39.68 H new ATOM 0 HD2 HIS A 0 7.408 -13.615 32.268 1.00 43.02 H new ATOM 0 HE1 HIS A 0 9.483 -11.129 34.547 1.00 42.34 H new ATOM 11 N MET A 1 4.034 -8.522 30.524 1.00 39.66 N ATOM 12 CA MET A 1 3.191 -8.041 29.446 1.00 37.42 C ATOM 13 C MET A 1 3.561 -6.590 29.209 1.00 36.05 C ATOM 14 O MET A 1 3.980 -5.893 30.129 1.00 37.37 O ATOM 15 CB MET A 1 1.712 -8.174 29.787 1.00 36.65 C ATOM 16 CG MET A 1 1.193 -9.619 29.877 1.00 39.31 C ATOM 17 SD MET A 1 1.239 -10.652 28.377 1.00 43.07 S ATOM 18 CE MET A 1 -0.468 -10.479 27.834 1.00 41.84 C ATOM 0 H MET A 1 4.264 -7.915 31.088 1.00 39.66 H new ATOM 0 HA MET A 1 3.334 -8.572 28.647 1.00 37.42 H new ATOM 0 HB2 MET A 1 1.549 -7.733 30.635 1.00 36.65 H new ATOM 0 HB3 MET A 1 1.195 -7.700 29.116 1.00 36.65 H new ATOM 0 HG2 MET A 1 1.704 -10.074 30.565 1.00 39.31 H new ATOM 0 HG3 MET A 1 0.273 -9.584 30.183 1.00 39.31 H new ATOM 0 HE1 MET A 1 -0.602 -10.989 27.020 1.00 41.84 H new ATOM 0 HE2 MET A 1 -1.063 -10.811 28.525 1.00 41.84 H new ATOM 0 HE3 MET A 1 -0.661 -9.544 27.664 1.00 41.84 H new ATOM 19 N LEU A 2 3.450 -6.140 27.958 1.00 27.63 N ATOM 20 CA LEU A 2 3.472 -4.710 27.681 1.00 22.55 C ATOM 21 C LEU A 2 2.158 -4.224 28.288 1.00 22.16 C ATOM 22 O LEU A 2 1.140 -4.871 28.111 1.00 20.06 O ATOM 23 CB LEU A 2 3.504 -4.455 26.172 1.00 23.18 C ATOM 24 CG LEU A 2 4.587 -5.197 25.373 1.00 25.55 C ATOM 25 CD1 LEU A 2 4.698 -4.632 23.969 1.00 22.56 C ATOM 26 CD2 LEU A 2 5.925 -5.127 26.069 1.00 26.25 C ATOM 0 H LEU A 2 3.362 -6.642 27.265 1.00 27.63 H new ATOM 0 HA LEU A 2 4.250 -4.258 28.043 1.00 22.55 H new ATOM 0 HB2 LEU A 2 2.639 -4.695 25.805 1.00 23.18 H new ATOM 0 HB3 LEU A 2 3.619 -3.503 26.028 1.00 23.18 H new ATOM 0 HG LEU A 2 4.324 -6.129 25.315 1.00 25.55 H new ATOM 0 HD11 LEU A 2 5.385 -5.112 23.480 1.00 22.56 H new ATOM 0 HD12 LEU A 2 3.848 -4.731 23.512 1.00 22.56 H new ATOM 0 HD13 LEU A 2 4.932 -3.692 24.016 1.00 22.56 H new ATOM 0 HD21 LEU A 2 6.588 -5.602 25.544 1.00 26.25 H new ATOM 0 HD22 LEU A 2 6.192 -4.199 26.164 1.00 26.25 H new ATOM 0 HD23 LEU A 2 5.855 -5.534 26.947 1.00 26.25 H new ATOM 27 N LYS A 3 2.155 -3.090 28.977 1.00 19.94 N ATOM 28 CA LYS A 3 1.008 -2.715 29.790 1.00 20.49 C ATOM 29 C LYS A 3 -0.030 -1.921 29.010 1.00 21.95 C ATOM 30 O LYS A 3 -1.213 -2.051 29.242 1.00 21.94 O ATOM 31 CB LYS A 3 1.504 -1.893 30.984 1.00 27.87 C ATOM 32 CG LYS A 3 2.097 -2.632 32.193 1.00 31.35 C ATOM 33 CD LYS A 3 2.318 -4.150 32.056 1.00 38.31 C ATOM 34 CE LYS A 3 1.323 -5.028 32.825 1.00 42.33 C ATOM 35 NZ LYS A 3 0.482 -5.939 31.978 1.00 45.88 N ATOM 0 H LYS A 3 2.804 -2.526 28.987 1.00 19.94 H new ATOM 0 HA LYS A 3 0.571 -3.529 30.087 1.00 20.49 H new ATOM 0 HB2 LYS A 3 2.177 -1.276 30.657 1.00 27.87 H new ATOM 0 HB3 LYS A 3 0.760 -1.358 31.302 1.00 27.87 H new ATOM 0 HG2 LYS A 3 2.950 -2.223 32.406 1.00 31.35 H new ATOM 0 HG3 LYS A 3 1.513 -2.481 32.953 1.00 31.35 H new ATOM 0 HD2 LYS A 3 2.275 -4.385 31.116 1.00 38.31 H new ATOM 0 HD3 LYS A 3 3.215 -4.360 32.360 1.00 38.31 H new ATOM 0 HE2 LYS A 3 1.816 -5.568 33.463 1.00 42.33 H new ATOM 0 HE3 LYS A 3 0.734 -4.452 33.337 1.00 42.33 H new ATOM 0 HZ1 LYS A 3 -0.372 -5.698 32.040 1.00 45.88 H new ATOM 0 HZ2 LYS A 3 0.745 -5.882 31.130 1.00 45.88 H new ATOM 0 HZ3 LYS A 3 0.575 -6.778 32.261 1.00 45.88 H new ATOM 36 N SER A 4 0.426 -1.075 28.099 1.00 18.57 N ATOM 37 CA SER A 4 -0.432 -0.129 27.402 1.00 19.22 C ATOM 38 C SER A 4 0.385 0.544 26.308 1.00 17.81 C ATOM 39 O SER A 4 1.631 0.545 26.329 1.00 17.74 O ATOM 40 CB SER A 4 -0.986 0.977 28.372 1.00 20.45 C ATOM 41 OG SER A 4 0.130 1.708 28.889 1.00 17.34 O ATOM 0 H SER A 4 1.252 -1.033 27.865 1.00 18.57 H new ATOM 0 HA SER A 4 -1.188 -0.613 27.033 1.00 19.22 H new ATOM 0 HB2 SER A 4 -1.591 1.570 27.900 1.00 20.45 H new ATOM 0 HB3 SER A 4 -1.491 0.573 29.095 1.00 20.45 H new ATOM 0 HG SER A 4 0.085 1.732 29.727 1.00 17.34 H new ATOM 42 N ILE A 5 -0.302 1.159 25.359 1.00 17.00 N ATOM 43 CA ILE A 5 0.399 2.022 24.410 1.00 18.28 C ATOM 44 C ILE A 5 0.919 3.236 25.200 1.00 17.05 C ATOM 45 O ILE A 5 0.290 3.660 26.159 1.00 20.13 O ATOM 46 CB ILE A 5 -0.551 2.421 23.267 1.00 21.07 C ATOM 47 CG1 ILE A 5 0.254 3.064 22.103 1.00 19.70 C ATOM 48 CG2 ILE A 5 -1.662 3.272 23.832 1.00 20.70 C ATOM 49 CD1 ILE A 5 -0.566 3.373 20.877 1.00 25.36 C ATOM 0 H ILE A 5 -1.152 1.096 25.244 1.00 17.00 H new ATOM 0 HA ILE A 5 1.150 1.569 23.995 1.00 18.28 H new ATOM 0 HB ILE A 5 -0.981 1.647 22.870 1.00 21.07 H new ATOM 0 HG12 ILE A 5 0.662 3.884 22.421 1.00 19.70 H new ATOM 0 HG13 ILE A 5 0.976 2.466 21.854 1.00 19.70 H new ATOM 0 HG21 ILE A 5 -2.267 3.529 23.119 1.00 20.70 H new ATOM 0 HG22 ILE A 5 -2.148 2.766 24.502 1.00 20.70 H new ATOM 0 HG23 ILE A 5 -1.285 4.068 24.239 1.00 20.70 H new ATOM 0 HD11 ILE A 5 0.003 3.770 20.199 1.00 25.36 H new ATOM 0 HD12 ILE A 5 -0.956 2.554 20.533 1.00 25.36 H new ATOM 0 HD13 ILE A 5 -1.274 3.995 21.109 1.00 25.36 H new ATOM 50 N ASN A 6 2.115 3.713 24.886 1.00 14.09 N ATOM 51 CA ASN A 6 2.748 4.843 25.558 1.00 14.16 C ATOM 52 C ASN A 6 2.515 6.118 24.716 1.00 13.20 C ATOM 53 O ASN A 6 1.977 7.116 25.232 1.00 13.84 O ATOM 54 CB ASN A 6 4.275 4.586 25.713 1.00 13.56 C ATOM 55 CG ASN A 6 4.905 5.586 26.640 1.00 14.92 C ATOM 56 OD1 ASN A 6 5.328 6.655 26.212 1.00 14.69 O ATOM 57 ND2 ASN A 6 4.886 5.274 27.933 1.00 15.30 N ATOM 0 H ASN A 6 2.597 3.379 24.257 1.00 14.09 H new ATOM 0 HA ASN A 6 2.361 4.955 26.441 1.00 14.16 H new ATOM 0 HB2 ASN A 6 4.421 3.689 26.053 1.00 13.56 H new ATOM 0 HB3 ASN A 6 4.703 4.633 24.844 1.00 13.56 H new ATOM 0 HD21 ASN A 6 5.180 5.835 28.515 1.00 15.30 H new ATOM 0 HD22 ASN A 6 4.580 4.512 28.187 1.00 15.30 H new ATOM 58 N HIS A 7 2.869 6.078 23.415 1.00 12.49 N ATOM 59 CA HIS A 7 2.616 7.216 22.515 1.00 12.34 C ATOM 60 C HIS A 7 2.888 6.830 21.083 1.00 12.37 C ATOM 61 O HIS A 7 3.455 5.784 20.848 1.00 12.32 O ATOM 62 CB HIS A 7 3.527 8.423 22.886 1.00 11.46 C ATOM 63 CG HIS A 7 4.998 8.206 22.587 1.00 12.89 C ATOM 64 ND1 HIS A 7 5.830 7.667 23.484 1.00 13.31 N ATOM 65 CD2 HIS A 7 5.774 8.490 21.443 1.00 13.76 C ATOM 66 CE1 HIS A 7 7.083 7.559 22.970 1.00 13.02 C ATOM 67 NE2 HIS A 7 7.053 8.066 21.704 1.00 15.90 N ATOM 0 H HIS A 7 3.253 5.406 23.041 1.00 12.49 H new ATOM 0 HA HIS A 7 1.685 7.468 22.615 1.00 12.34 H new ATOM 0 HB2 HIS A 7 3.221 9.207 22.403 1.00 11.46 H new ATOM 0 HB3 HIS A 7 3.424 8.614 23.831 1.00 11.46 H new ATOM 0 HD1 HIS A 7 5.603 7.422 24.277 1.00 13.31 H new ATOM 0 HD2 HIS A 7 5.475 8.890 20.659 1.00 13.76 H new ATOM 0 HE1 HIS A 7 7.826 7.204 23.403 1.00 13.02 H new ATOM 68 N AILE A 8 2.457 7.673 20.128 0.50 11.82 N ATOM 69 N BILE A 8 2.446 7.638 20.124 0.50 11.72 N ATOM 70 CA AILE A 8 2.712 7.488 18.680 0.50 13.18 C ATOM 71 CA BILE A 8 2.948 7.446 18.772 0.50 12.98 C ATOM 72 C AILE A 8 3.462 8.713 18.137 0.50 13.02 C ATOM 73 C BILE A 8 3.680 8.682 18.321 0.50 13.01 C ATOM 74 O AILE A 8 3.125 9.822 18.505 0.50 12.85 O ATOM 75 O BILE A 8 3.578 9.745 18.940 0.50 12.60 O ATOM 76 CB AILE A 8 1.361 7.334 17.935 0.50 13.00 C ATOM 77 CB BILE A 8 1.847 6.985 17.791 0.50 12.61 C ATOM 78 CG1AILE A 8 0.563 6.136 18.444 0.50 12.68 C ATOM 79 CG1BILE A 8 0.648 7.943 17.762 0.50 12.85 C ATOM 80 CG2AILE A 8 1.543 7.171 16.437 0.50 12.38 C ATOM 81 CG2BILE A 8 1.342 5.613 18.217 0.50 11.90 C ATOM 82 CD1AILE A 8 -0.359 5.634 17.343 0.50 13.62 C ATOM 83 CD1BILE A 8 -0.290 7.473 16.671 0.50 14.02 C ATOM 0 H AILE A 8 2.001 8.380 20.304 0.50 11.72 H new ATOM 0 H BILE A 8 1.880 8.277 20.228 0.50 11.72 H new ATOM 0 HA AILE A 8 3.249 6.692 18.542 0.50 12.98 H new ATOM 0 HA BILE A 8 3.586 6.715 18.778 0.50 12.98 H new ATOM 0 HB AILE A 8 0.876 8.155 18.114 0.50 12.61 H new ATOM 0 HB BILE A 8 2.243 6.964 16.906 0.50 12.61 H new ATOM 0 HG12AILE A 8 1.166 5.428 18.722 0.50 12.85 H new ATOM 0 HG12BILE A 8 0.196 7.949 18.620 0.50 12.85 H new ATOM 0 HG13AILE A 8 0.044 6.389 19.223 0.50 12.85 H new ATOM 0 HG13BILE A 8 0.942 8.851 17.590 0.50 12.85 H new ATOM 0 HG21AILE A 8 0.675 7.078 16.014 0.50 11.90 H new ATOM 0 HG21BILE A 8 0.650 5.318 17.604 0.50 11.90 H new ATOM 0 HG22AILE A 8 1.995 7.951 16.079 0.50 11.90 H new ATOM 0 HG22BILE A 8 2.076 4.979 18.204 0.50 11.90 H new ATOM 0 HG23AILE A 8 2.075 6.379 16.260 0.50 11.90 H new ATOM 0 HG23BILE A 8 0.977 5.666 19.114 0.50 11.90 H new ATOM 0 HD11AILE A 8 -0.866 4.873 17.667 0.50 14.02 H new ATOM 0 HD11BILE A 8 -1.060 8.062 16.630 0.50 14.02 H new ATOM 0 HD12AILE A 8 -0.970 6.342 17.084 0.50 14.02 H new ATOM 0 HD12BILE A 8 0.173 7.486 15.819 0.50 14.02 H new ATOM 0 HD13AILE A 8 0.170 5.367 16.575 0.50 14.02 H new ATOM 0 HD13BILE A 8 -0.585 6.569 16.865 0.50 14.02 H new ATOM 84 N CYS A 9 4.477 8.532 17.272 1.00 13.56 N ATOM 85 CA CYS A 9 5.277 9.640 16.835 1.00 16.27 C ATOM 86 C CYS A 9 5.138 9.713 15.327 1.00 17.15 C ATOM 87 O CYS A 9 5.090 8.681 14.714 1.00 14.61 O ATOM 88 CB CYS A 9 6.740 9.408 17.192 1.00 20.70 C ATOM 89 SG CYS A 9 7.817 10.793 16.770 1.00 28.33 S ATOM 0 H ACYS A 9 4.702 7.771 16.939 0.50 13.56 H new ATOM 0 H BCYS A 9 4.562 7.809 16.814 0.50 13.56 H new ATOM 0 HA CYS A 9 4.986 10.461 17.262 1.00 16.27 H new ATOM 0 HB2 CYS A 9 6.809 9.233 18.144 1.00 20.70 H new ATOM 0 HB3 CYS A 9 7.054 8.613 16.734 1.00 20.70 H new ATOM 0 HG CYS A 9 8.942 10.542 17.104 1.00 28.33 H new ATOM 90 N PHE A 10 5.004 10.918 14.791 1.00 16.04 N ATOM 91 CA PHE A 10 4.777 11.120 13.381 1.00 18.19 C ATOM 92 C PHE A 10 5.773 12.179 12.946 1.00 16.77 C ATOM 93 O PHE A 10 5.900 13.280 13.555 1.00 15.67 O ATOM 94 CB PHE A 10 3.401 11.725 13.064 1.00 19.68 C ATOM 95 CG PHE A 10 2.222 10.781 13.118 1.00 24.28 C ATOM 96 CD1 PHE A 10 2.269 9.490 12.601 1.00 25.07 C ATOM 97 CD2 PHE A 10 1.018 11.239 13.646 1.00 25.82 C ATOM 98 CE1 PHE A 10 1.144 8.660 12.635 1.00 27.74 C ATOM 99 CE2 PHE A 10 -0.110 10.419 13.697 1.00 27.84 C ATOM 100 CZ PHE A 10 -0.048 9.131 13.184 1.00 25.18 C ATOM 0 H PHE A 10 5.044 11.647 15.246 1.00 16.04 H new ATOM 0 HA PHE A 10 4.851 10.258 12.942 1.00 18.19 H new ATOM 0 HB2 PHE A 10 3.238 12.451 13.686 1.00 19.68 H new ATOM 0 HB3 PHE A 10 3.438 12.115 12.177 1.00 19.68 H new ATOM 0 HD1 PHE A 10 3.060 9.175 12.227 1.00 25.07 H new ATOM 0 HD2 PHE A 10 0.964 12.109 13.971 1.00 25.82 H new ATOM 0 HE1 PHE A 10 1.191 7.797 12.293 1.00 27.74 H new ATOM 0 HE2 PHE A 10 -0.900 10.734 14.073 1.00 27.84 H new ATOM 0 HZ PHE A 10 -0.799 8.584 13.206 1.00 25.18 H new ATOM 101 N SER A 11 6.442 11.910 11.844 1.00 15.76 N ATOM 102 CA SER A 11 7.160 12.995 11.188 1.00 17.32 C ATOM 103 C SER A 11 6.267 13.887 10.355 1.00 17.53 C ATOM 104 O SER A 11 5.369 13.429 9.644 1.00 16.90 O ATOM 105 CB SER A 11 8.300 12.466 10.327 1.00 17.22 C ATOM 106 OG SER A 11 9.318 12.004 11.168 1.00 21.97 O ATOM 0 H SER A 11 6.497 11.139 11.466 1.00 15.76 H new ATOM 0 HA SER A 11 7.522 13.537 11.907 1.00 17.32 H new ATOM 0 HB2 SER A 11 7.985 11.749 9.755 1.00 17.22 H new ATOM 0 HB3 SER A 11 8.636 13.166 9.746 1.00 17.22 H new ATOM 0 HG SER A 11 9.804 12.649 11.400 1.00 21.97 H new ATOM 107 N VAL A 12 6.505 15.200 10.447 1.00 16.91 N ATOM 108 CA VAL A 12 5.631 16.116 9.717 1.00 15.88 C ATOM 109 C VAL A 12 6.457 17.235 9.049 1.00 17.03 C ATOM 110 O VAL A 12 7.480 17.655 9.617 1.00 15.62 O ATOM 111 CB VAL A 12 4.553 16.783 10.627 1.00 14.44 C ATOM 112 CG1 VAL A 12 3.697 15.737 11.352 1.00 13.73 C ATOM 113 CG2 VAL A 12 5.208 17.732 11.630 1.00 14.32 C ATOM 0 H VAL A 12 7.136 15.565 10.904 1.00 16.91 H new ATOM 0 HA VAL A 12 5.177 15.577 9.051 1.00 15.88 H new ATOM 0 HB VAL A 12 3.963 17.296 10.053 1.00 14.44 H new ATOM 0 HG11 VAL A 12 3.040 16.185 11.907 1.00 13.73 H new ATOM 0 HG12 VAL A 12 3.244 15.181 10.699 1.00 13.73 H new ATOM 0 HG13 VAL A 12 4.266 15.183 11.909 1.00 13.73 H new ATOM 0 HG21 VAL A 12 4.524 18.137 12.186 1.00 14.32 H new ATOM 0 HG22 VAL A 12 5.827 17.236 12.188 1.00 14.32 H new ATOM 0 HG23 VAL A 12 5.689 18.426 11.153 1.00 14.32 H new ATOM 114 N ARG A 13 5.995 17.702 7.887 1.00 15.48 N ATOM 115 CA ARG A 13 6.756 18.711 7.131 1.00 18.10 C ATOM 116 C ARG A 13 6.630 20.125 7.731 1.00 16.50 C ATOM 117 O ARG A 13 7.582 20.909 7.750 1.00 17.10 O ATOM 118 CB ARG A 13 6.259 18.735 5.675 1.00 21.75 C ATOM 119 CG ARG A 13 7.284 19.316 4.712 1.00 30.59 C ATOM 120 CD ARG A 13 6.876 19.124 3.256 1.00 42.92 C ATOM 121 NE ARG A 13 7.408 20.221 2.422 1.00 53.13 N ATOM 122 CZ ARG A 13 7.271 20.336 1.093 1.00 62.80 C ATOM 123 NH1 ARG A 13 6.628 19.410 0.375 1.00 60.31 N ATOM 124 NH2 ARG A 13 7.798 21.396 0.472 1.00 63.84 N ATOM 0 H ARG A 13 5.257 17.455 7.521 1.00 15.48 H new ATOM 0 HA ARG A 13 7.692 18.459 7.175 1.00 18.10 H new ATOM 0 HB2 ARG A 13 6.037 17.832 5.398 1.00 21.75 H new ATOM 0 HB3 ARG A 13 5.442 19.256 5.625 1.00 21.75 H new ATOM 0 HG2 ARG A 13 7.396 20.262 4.893 1.00 30.59 H new ATOM 0 HG3 ARG A 13 8.144 18.894 4.864 1.00 30.59 H new ATOM 0 HD2 ARG A 13 7.208 18.273 2.931 1.00 42.92 H new ATOM 0 HD3 ARG A 13 5.909 19.097 3.186 1.00 42.92 H new ATOM 0 HE ARG A 13 7.845 20.842 2.825 1.00 53.13 H new ATOM 0 HH11 ARG A 13 6.291 18.721 0.765 1.00 60.31 H new ATOM 0 HH12 ARG A 13 6.551 19.503 -0.477 1.00 60.31 H new ATOM 0 HH21 ARG A 13 8.219 21.994 0.924 1.00 63.84 H new ATOM 0 HH22 ARG A 13 7.716 21.480 -0.380 1.00 63.84 H new ATOM 125 N ASN A 14 5.456 20.429 8.242 1.00 15.12 N ATOM 126 CA ASN A 14 5.171 21.775 8.733 1.00 14.87 C ATOM 127 C ASN A 14 4.436 21.603 10.030 1.00 14.14 C ATOM 128 O ASN A 14 3.252 21.200 10.049 1.00 14.05 O ATOM 129 CB ASN A 14 4.315 22.522 7.690 1.00 14.47 C ATOM 130 CG ASN A 14 4.150 24.009 8.042 1.00 16.40 C ATOM 131 OD1 ASN A 14 3.187 24.382 8.728 1.00 11.95 O ATOM 132 ND2 ASN A 14 5.142 24.860 7.627 1.00 13.74 N ATOM 0 H ASN A 14 4.803 19.874 8.317 1.00 15.12 H new ATOM 0 HA ASN A 14 5.976 22.298 8.873 1.00 14.87 H new ATOM 0 HB2 ASN A 14 4.727 22.441 6.816 1.00 14.47 H new ATOM 0 HB3 ASN A 14 3.441 22.105 7.631 1.00 14.47 H new ATOM 0 HD21 ASN A 14 5.112 25.692 7.842 1.00 13.74 H new ATOM 0 HD22 ASN A 14 5.794 24.561 7.152 1.00 13.74 H new ATOM 133 N LEU A 15 5.130 21.898 11.104 1.00 14.18 N ATOM 134 CA LEU A 15 4.509 21.852 12.412 1.00 15.62 C ATOM 135 C LEU A 15 3.206 22.729 12.585 1.00 13.50 C ATOM 136 O LEU A 15 2.286 22.241 13.196 1.00 13.20 O ATOM 137 CB LEU A 15 5.525 22.205 13.484 1.00 17.08 C ATOM 138 CG LEU A 15 5.218 21.593 14.843 1.00 20.18 C ATOM 139 CD1 LEU A 15 5.352 20.064 14.906 1.00 20.05 C ATOM 140 CD2 LEU A 15 6.083 22.235 15.901 1.00 21.08 C ATOM 0 H LEU A 15 5.959 22.127 11.103 1.00 14.18 H new ATOM 0 HA LEU A 15 4.204 20.936 12.510 1.00 15.62 H new ATOM 0 HB2 LEU A 15 6.403 21.910 13.196 1.00 17.08 H new ATOM 0 HB3 LEU A 15 5.566 23.170 13.574 1.00 17.08 H new ATOM 0 HG LEU A 15 4.280 21.776 15.008 1.00 20.18 H new ATOM 0 HD11 LEU A 15 5.140 19.757 15.801 1.00 20.05 H new ATOM 0 HD12 LEU A 15 4.739 19.659 14.272 1.00 20.05 H new ATOM 0 HD13 LEU A 15 6.261 19.809 14.684 1.00 20.05 H new ATOM 0 HD21 LEU A 15 5.884 21.842 16.765 1.00 21.08 H new ATOM 0 HD22 LEU A 15 7.018 22.089 15.688 1.00 21.08 H new ATOM 0 HD23 LEU A 15 5.904 23.188 15.931 1.00 21.08 H new ATOM 141 N ASN A 16 3.129 23.963 12.028 1.00 11.28 N ATOM 142 CA ASN A 16 1.928 24.796 12.199 1.00 11.75 C ATOM 143 C ASN A 16 0.707 24.193 11.499 1.00 10.88 C ATOM 144 O ASN A 16 -0.359 24.155 12.059 1.00 10.02 O ATOM 145 CB ASN A 16 2.161 26.284 11.783 1.00 10.22 C ATOM 146 CG ASN A 16 3.214 26.967 12.701 1.00 11.73 C ATOM 147 OD1 ASN A 16 3.453 26.471 13.798 1.00 10.19 O ATOM 148 ND2 ASN A 16 3.765 28.136 12.291 1.00 10.80 N ATOM 0 H ASN A 16 3.753 24.323 11.558 1.00 11.28 H new ATOM 0 HA ASN A 16 1.738 24.805 13.150 1.00 11.75 H new ATOM 0 HB2 ASN A 16 2.459 26.322 10.861 1.00 10.22 H new ATOM 0 HB3 ASN A 16 1.323 26.771 11.830 1.00 10.22 H new ATOM 0 HD21 ASN A 16 4.306 28.561 12.807 1.00 10.80 H new ATOM 0 HD22 ASN A 16 3.574 28.453 11.515 1.00 10.80 H new ATOM 149 N ASP A 17 0.852 23.763 10.289 1.00 11.19 N ATOM 150 CA ASP A 17 -0.201 22.989 9.694 1.00 12.43 C ATOM 151 C ASP A 17 -0.626 21.778 10.511 1.00 11.41 C ATOM 152 O ASP A 17 -1.821 21.529 10.651 1.00 11.92 O ATOM 153 CB ASP A 17 0.232 22.465 8.322 1.00 12.80 C ATOM 154 CG ASP A 17 0.454 23.533 7.329 1.00 13.77 C ATOM 155 OD1 ASP A 17 -0.093 24.632 7.403 1.00 14.09 O ATOM 156 OD2 ASP A 17 1.174 23.228 6.394 1.00 14.67 O ATOM 0 H ASP A 17 1.540 23.901 9.792 1.00 11.19 H new ATOM 0 HA ASP A 17 -0.952 23.600 9.638 1.00 12.43 H new ATOM 0 HB2 ASP A 17 1.049 21.952 8.423 1.00 12.80 H new ATOM 0 HB3 ASP A 17 -0.446 21.857 7.987 1.00 12.80 H new ATOM 157 N SER A 18 0.341 21.000 11.023 1.00 13.16 N ATOM 158 CA SER A 18 -0.003 19.775 11.814 1.00 12.21 C ATOM 159 C SER A 18 -0.704 20.085 13.138 1.00 14.00 C ATOM 160 O SER A 18 -1.655 19.380 13.495 1.00 12.45 O ATOM 161 CB SER A 18 1.220 18.864 11.999 1.00 13.49 C ATOM 162 OG SER A 18 1.667 18.484 10.706 1.00 13.94 O ATOM 0 H SER A 18 1.183 21.148 10.934 1.00 13.16 H new ATOM 0 HA SER A 18 -0.654 19.285 11.288 1.00 12.21 H new ATOM 0 HB2 SER A 18 1.922 19.329 12.480 1.00 13.49 H new ATOM 0 HB3 SER A 18 0.987 18.082 12.523 1.00 13.49 H new ATOM 0 HG SER A 18 1.307 17.757 10.487 1.00 13.94 H new ATOM 163 N ILE A 19 -0.236 21.139 13.837 1.00 12.61 N ATOM 164 CA ILE A 19 -0.941 21.635 15.033 1.00 12.18 C ATOM 165 C ILE A 19 -2.397 21.984 14.697 1.00 11.81 C ATOM 166 O ILE A 19 -3.267 21.564 15.426 1.00 10.09 O ATOM 167 CB ILE A 19 -0.228 22.840 15.707 1.00 12.02 C ATOM 168 CG1 ILE A 19 1.173 22.425 16.252 1.00 13.40 C ATOM 169 CG2 ILE A 19 -1.090 23.420 16.843 1.00 12.65 C ATOM 170 CD1 ILE A 19 1.996 23.618 16.772 1.00 13.50 C ATOM 0 H ILE A 19 0.479 21.573 13.636 1.00 12.61 H new ATOM 0 HA ILE A 19 -0.928 20.912 15.680 1.00 12.18 H new ATOM 0 HB ILE A 19 -0.104 23.526 15.033 1.00 12.02 H new ATOM 0 HG12 ILE A 19 1.058 21.782 16.969 1.00 13.40 H new ATOM 0 HG13 ILE A 19 1.669 21.979 15.548 1.00 13.40 H new ATOM 0 HG21 ILE A 19 -0.628 24.170 17.250 1.00 12.65 H new ATOM 0 HG22 ILE A 19 -1.939 23.721 16.484 1.00 12.65 H new ATOM 0 HG23 ILE A 19 -1.247 22.736 17.512 1.00 12.65 H new ATOM 0 HD11 ILE A 19 2.854 23.303 17.097 1.00 13.50 H new ATOM 0 HD12 ILE A 19 2.137 24.252 16.052 1.00 13.50 H new ATOM 0 HD13 ILE A 19 1.516 24.052 17.495 1.00 13.50 H new ATOM 171 N HIS A 20 -2.640 22.760 13.634 1.00 9.42 N ATOM 172 CA HIS A 20 -4.028 23.118 13.302 1.00 11.78 C ATOM 173 C HIS A 20 -4.783 21.820 13.001 1.00 10.94 C ATOM 174 O HIS A 20 -5.929 21.685 13.448 1.00 11.05 O ATOM 175 CB HIS A 20 -4.083 23.954 12.041 1.00 12.16 C ATOM 176 CG HIS A 20 -5.468 24.191 11.514 1.00 13.66 C ATOM 177 ND1 HIS A 20 -6.454 24.724 12.275 1.00 14.70 N ATOM 178 CD2 HIS A 20 -6.021 23.918 10.297 1.00 13.44 C ATOM 179 CE1 HIS A 20 -7.561 24.855 11.494 1.00 14.84 C ATOM 180 NE2 HIS A 20 -7.283 24.373 10.310 1.00 12.88 N ATOM 0 H HIS A 20 -2.040 23.080 13.108 1.00 9.42 H new ATOM 0 HA HIS A 20 -4.410 23.614 14.043 1.00 11.78 H new ATOM 0 HB2 HIS A 20 -3.664 24.811 12.216 1.00 12.16 H new ATOM 0 HB3 HIS A 20 -3.557 23.517 11.353 1.00 12.16 H new ATOM 0 HD1 HIS A 20 -6.392 24.941 13.105 1.00 14.70 H new ATOM 0 HD2 HIS A 20 -5.599 23.493 9.586 1.00 13.44 H new ATOM 0 HE1 HIS A 20 -8.374 25.223 11.756 1.00 14.84 H new ATOM 181 N PHE A 21 -4.158 20.884 12.266 1.00 11.23 N ATOM 182 CA PHE A 21 -4.845 19.606 11.929 1.00 13.42 C ATOM 183 C PHE A 21 -5.243 18.869 13.248 1.00 13.19 C ATOM 184 O PHE A 21 -6.425 18.547 13.511 1.00 11.71 O ATOM 185 CB PHE A 21 -3.985 18.680 11.060 1.00 14.24 C ATOM 186 CG PHE A 21 -4.691 17.416 10.668 1.00 16.11 C ATOM 187 CD1 PHE A 21 -5.618 17.417 9.611 1.00 17.97 C ATOM 188 CD2 PHE A 21 -4.488 16.206 11.395 1.00 15.92 C ATOM 189 CE1 PHE A 21 -6.291 16.223 9.261 1.00 16.74 C ATOM 190 CE2 PHE A 21 -5.156 15.012 11.014 1.00 16.98 C ATOM 191 CZ PHE A 21 -6.057 15.033 9.972 1.00 15.56 C ATOM 0 H PHE A 21 -3.359 20.959 11.957 1.00 11.23 H new ATOM 0 HA PHE A 21 -5.634 19.830 11.411 1.00 13.42 H new ATOM 0 HB2 PHE A 21 -3.716 19.156 10.258 1.00 14.24 H new ATOM 0 HB3 PHE A 21 -3.174 18.455 11.542 1.00 14.24 H new ATOM 0 HD1 PHE A 21 -5.789 18.202 9.142 1.00 17.97 H new ATOM 0 HD2 PHE A 21 -3.913 16.199 12.126 1.00 15.92 H new ATOM 0 HE1 PHE A 21 -6.894 16.225 8.553 1.00 16.74 H new ATOM 0 HE2 PHE A 21 -4.986 14.218 11.467 1.00 16.98 H new ATOM 0 HZ PHE A 21 -6.512 14.257 9.738 1.00 15.56 H new ATOM 192 N TYR A 22 -4.247 18.631 14.090 1.00 12.62 N ATOM 193 CA TYR A 22 -4.490 17.827 15.310 1.00 12.04 C ATOM 194 C TYR A 22 -5.265 18.462 16.461 1.00 12.72 C ATOM 195 O TYR A 22 -6.023 17.758 17.155 1.00 11.65 O ATOM 196 CB TYR A 22 -3.179 17.159 15.794 1.00 11.46 C ATOM 197 CG TYR A 22 -2.721 16.066 14.862 1.00 11.99 C ATOM 198 CD1 TYR A 22 -3.318 14.795 14.919 1.00 13.75 C ATOM 199 CD2 TYR A 22 -1.806 16.322 13.857 1.00 11.68 C ATOM 200 CE1 TYR A 22 -2.959 13.763 14.070 1.00 13.04 C ATOM 201 CE2 TYR A 22 -1.402 15.317 12.995 1.00 12.34 C ATOM 202 CZ TYR A 22 -1.974 14.044 13.077 1.00 13.93 C ATOM 203 OH TYR A 22 -1.654 13.047 12.237 1.00 13.90 O ATOM 0 H TYR A 22 -3.440 18.911 13.990 1.00 12.62 H new ATOM 0 HA TYR A 22 -5.125 17.161 15.003 1.00 12.04 H new ATOM 0 HB2 TYR A 22 -2.484 17.831 15.869 1.00 11.46 H new ATOM 0 HB3 TYR A 22 -3.314 16.790 16.681 1.00 11.46 H new ATOM 0 HD1 TYR A 22 -3.981 14.641 15.553 1.00 13.75 H new ATOM 0 HD2 TYR A 22 -1.458 17.179 13.759 1.00 11.68 H new ATOM 0 HE1 TYR A 22 -3.344 12.920 14.144 1.00 13.04 H new ATOM 0 HE2 TYR A 22 -0.747 15.490 12.358 1.00 12.34 H new ATOM 0 HH TYR A 22 -1.166 13.345 11.622 1.00 13.90 H new ATOM 204 N ARG A 23 -5.033 19.768 16.721 1.00 12.54 N ATOM 205 CA ARG A 23 -5.622 20.485 17.841 1.00 13.22 C ATOM 206 C ARG A 23 -7.011 21.010 17.434 1.00 11.39 C ATOM 207 O ARG A 23 -7.915 20.953 18.231 1.00 13.16 O ATOM 208 CB ARG A 23 -4.703 21.664 18.321 1.00 13.59 C ATOM 209 CG ARG A 23 -5.312 22.705 19.254 1.00 15.50 C ATOM 210 CD ARG A 23 -4.309 23.831 19.799 1.00 17.46 C ATOM 211 NE ARG A 23 -4.974 24.485 20.946 1.00 19.40 N ATOM 212 CZ ARG A 23 -4.401 25.304 21.830 1.00 23.57 C ATOM 213 NH1 ARG A 23 -3.102 25.624 21.690 1.00 23.12 N ATOM 214 NH2 ARG A 23 -5.144 25.856 22.820 1.00 22.66 N ATOM 0 H ARG A 23 -4.519 20.257 16.235 1.00 12.54 H new ATOM 0 HA ARG A 23 -5.712 19.872 18.587 1.00 13.22 H new ATOM 0 HB2 ARG A 23 -3.932 21.279 18.767 1.00 13.59 H new ATOM 0 HB3 ARG A 23 -4.374 22.125 17.534 1.00 13.59 H new ATOM 0 HG2 ARG A 23 -6.041 23.144 18.788 1.00 15.50 H new ATOM 0 HG3 ARG A 23 -5.698 22.245 20.016 1.00 15.50 H new ATOM 0 HD2 ARG A 23 -3.466 23.437 20.071 1.00 17.46 H new ATOM 0 HD3 ARG A 23 -4.109 24.478 19.104 1.00 17.46 H new ATOM 0 HE ARG A 23 -5.811 24.322 21.054 1.00 19.40 H new ATOM 0 HH11 ARG A 23 -2.648 25.301 21.035 1.00 23.12 H new ATOM 0 HH12 ARG A 23 -2.726 26.151 22.256 1.00 23.12 H new ATOM 0 HH21 ARG A 23 -5.983 25.678 22.878 1.00 22.66 H new ATOM 0 HH22 ARG A 23 -4.776 26.384 23.390 1.00 22.66 H new ATOM 215 N ASP A 24 -7.139 21.581 16.229 1.00 11.96 N ATOM 216 CA ASP A 24 -8.367 22.249 15.839 1.00 11.92 C ATOM 217 C ASP A 24 -9.291 21.333 15.034 1.00 11.32 C ATOM 218 O ASP A 24 -10.403 21.105 15.459 1.00 12.81 O ATOM 219 CB ASP A 24 -8.084 23.495 14.994 1.00 12.40 C ATOM 220 CG ASP A 24 -7.279 24.530 15.730 1.00 13.09 C ATOM 221 OD1 ASP A 24 -7.474 24.654 16.958 1.00 15.54 O ATOM 222 OD2 ASP A 24 -6.461 25.148 15.061 1.00 13.40 O ATOM 0 H ASP A 24 -6.522 21.588 15.630 1.00 11.96 H new ATOM 0 HA ASP A 24 -8.804 22.501 16.668 1.00 11.92 H new ATOM 0 HB2 ASP A 24 -7.609 23.234 14.190 1.00 12.40 H new ATOM 0 HB3 ASP A 24 -8.925 23.887 14.712 1.00 12.40 H new ATOM 223 N ILE A 25 -8.837 20.764 13.917 1.00 11.62 N ATOM 224 CA ILE A 25 -9.761 19.834 13.168 1.00 11.46 C ATOM 225 C ILE A 25 -10.177 18.590 14.047 1.00 12.30 C ATOM 226 O ILE A 25 -11.367 18.242 14.233 1.00 11.62 O ATOM 227 CB ILE A 25 -9.079 19.489 11.811 1.00 10.98 C ATOM 228 CG1 ILE A 25 -8.877 20.780 11.062 1.00 11.47 C ATOM 229 CG2 ILE A 25 -9.962 18.526 10.992 1.00 11.33 C ATOM 230 CD1 ILE A 25 -8.211 20.638 9.721 1.00 11.05 C ATOM 0 H ILE A 25 -8.056 20.877 13.576 1.00 11.62 H new ATOM 0 HA ILE A 25 -10.611 20.259 12.972 1.00 11.46 H new ATOM 0 HB ILE A 25 -8.228 19.048 11.963 1.00 10.98 H new ATOM 0 HG12 ILE A 25 -9.740 21.204 10.936 1.00 11.47 H new ATOM 0 HG13 ILE A 25 -8.345 21.377 11.611 1.00 11.47 H new ATOM 0 HG21 ILE A 25 -9.524 18.321 10.151 1.00 11.33 H new ATOM 0 HG22 ILE A 25 -10.099 17.707 11.493 1.00 11.33 H new ATOM 0 HG23 ILE A 25 -10.820 18.944 10.816 1.00 11.33 H new ATOM 0 HD11 ILE A 25 -8.121 21.512 9.310 1.00 11.05 H new ATOM 0 HD12 ILE A 25 -7.333 20.243 9.836 1.00 11.05 H new ATOM 0 HD13 ILE A 25 -8.750 20.067 9.151 1.00 11.05 H new ATOM 231 N LEU A 26 -9.192 17.890 14.581 1.00 11.47 N ATOM 232 CA LEU A 26 -9.439 16.695 15.354 1.00 10.89 C ATOM 233 C LEU A 26 -9.695 16.904 16.865 1.00 10.51 C ATOM 234 O LEU A 26 -9.925 15.897 17.634 1.00 10.02 O ATOM 235 CB LEU A 26 -8.270 15.669 15.121 1.00 9.93 C ATOM 236 CG LEU A 26 -8.105 15.072 13.723 1.00 9.62 C ATOM 237 CD1 LEU A 26 -7.026 13.980 13.709 1.00 10.21 C ATOM 238 CD2 LEU A 26 -9.452 14.599 13.086 1.00 10.34 C ATOM 0 H LEU A 26 -8.361 18.097 14.504 1.00 11.47 H new ATOM 0 HA LEU A 26 -10.282 16.346 15.024 1.00 10.89 H new ATOM 0 HB2 LEU A 26 -7.438 16.109 15.356 1.00 9.93 H new ATOM 0 HB3 LEU A 26 -8.390 14.936 15.745 1.00 9.93 H new ATOM 0 HG LEU A 26 -7.797 15.791 13.149 1.00 9.62 H new ATOM 0 HD11 LEU A 26 -6.942 13.619 12.813 1.00 10.21 H new ATOM 0 HD12 LEU A 26 -6.177 14.360 13.985 1.00 10.21 H new ATOM 0 HD13 LEU A 26 -7.276 13.270 14.321 1.00 10.21 H new ATOM 0 HD21 LEU A 26 -9.282 14.232 12.204 1.00 10.34 H new ATOM 0 HD22 LEU A 26 -9.854 13.918 13.647 1.00 10.34 H new ATOM 0 HD23 LEU A 26 -10.057 15.353 13.010 1.00 10.34 H new ATOM 239 N LEU A 27 -9.587 18.178 17.307 1.00 11.62 N ATOM 240 CA LEU A 27 -9.913 18.589 18.664 1.00 11.67 C ATOM 241 C LEU A 27 -9.060 17.946 19.726 1.00 12.13 C ATOM 242 O LEU A 27 -9.530 17.729 20.848 1.00 11.33 O ATOM 243 CB LEU A 27 -11.459 18.385 18.924 1.00 12.21 C ATOM 244 CG LEU A 27 -12.357 19.302 18.064 1.00 14.18 C ATOM 245 CD1 LEU A 27 -13.862 18.896 18.088 1.00 12.01 C ATOM 246 CD2 LEU A 27 -12.260 20.776 18.466 1.00 13.28 C ATOM 0 H LEU A 27 -9.317 18.825 16.808 1.00 11.62 H new ATOM 0 HA LEU A 27 -9.702 19.533 18.735 1.00 11.67 H new ATOM 0 HB2 LEU A 27 -11.690 17.460 18.746 1.00 12.21 H new ATOM 0 HB3 LEU A 27 -11.646 18.549 19.862 1.00 12.21 H new ATOM 0 HG LEU A 27 -12.012 19.185 17.165 1.00 14.18 H new ATOM 0 HD11 LEU A 27 -14.371 19.507 17.532 1.00 12.01 H new ATOM 0 HD12 LEU A 27 -13.959 17.993 17.748 1.00 12.01 H new ATOM 0 HD13 LEU A 27 -14.194 18.936 18.999 1.00 12.01 H new ATOM 0 HD21 LEU A 27 -12.841 21.306 17.897 1.00 13.28 H new ATOM 0 HD22 LEU A 27 -12.533 20.878 19.391 1.00 13.28 H new ATOM 0 HD23 LEU A 27 -11.344 21.080 18.365 1.00 13.28 H new ATOM 247 N GLY A 28 -7.777 17.696 19.390 1.00 13.71 N ATOM 248 CA GLY A 28 -6.778 17.230 20.377 1.00 14.21 C ATOM 249 C GLY A 28 -6.285 18.362 21.262 1.00 15.97 C ATOM 250 O GLY A 28 -6.590 19.514 20.992 1.00 17.41 O ATOM 0 H GLY A 28 -7.466 17.791 18.594 1.00 13.71 H new ATOM 0 HA2 GLY A 28 -7.169 16.535 20.929 1.00 14.21 H new ATOM 0 HA3 GLY A 28 -6.025 16.832 19.912 1.00 14.21 H new ATOM 251 N LYS A 29 -5.569 18.015 22.322 1.00 15.08 N ATOM 252 CA LYS A 29 -5.099 19.005 23.290 1.00 17.93 C ATOM 253 C LYS A 29 -3.604 19.222 23.138 1.00 16.93 C ATOM 254 O LYS A 29 -2.827 18.268 23.272 1.00 17.77 O ATOM 255 CB LYS A 29 -5.454 18.629 24.724 1.00 20.54 C ATOM 256 CG LYS A 29 -4.969 19.692 25.770 1.00 24.35 C ATOM 257 CD LYS A 29 -5.106 19.112 27.178 1.00 29.45 C ATOM 258 CE LYS A 29 -4.781 20.125 28.281 1.00 34.46 C ATOM 259 NZ LYS A 29 -5.792 21.214 28.304 1.00 39.62 N ATOM 0 H LYS A 29 -5.341 17.206 22.503 1.00 15.08 H new ATOM 0 HA LYS A 29 -5.558 19.838 23.099 1.00 17.93 H new ATOM 0 HB2 LYS A 29 -6.416 18.524 24.798 1.00 20.54 H new ATOM 0 HB3 LYS A 29 -5.058 17.769 24.936 1.00 20.54 H new ATOM 0 HG2 LYS A 29 -4.046 19.934 25.597 1.00 24.35 H new ATOM 0 HG3 LYS A 29 -5.495 20.503 25.690 1.00 24.35 H new ATOM 0 HD2 LYS A 29 -6.012 18.788 27.301 1.00 29.45 H new ATOM 0 HD3 LYS A 29 -4.516 18.347 27.265 1.00 29.45 H new ATOM 0 HE2 LYS A 29 -4.760 19.678 29.142 1.00 34.46 H new ATOM 0 HE3 LYS A 29 -3.898 20.499 28.134 1.00 34.46 H new ATOM 0 HZ1 LYS A 29 -5.686 21.702 29.040 1.00 39.62 H new ATOM 0 HZ2 LYS A 29 -5.688 21.732 27.588 1.00 39.62 H new ATOM 0 HZ3 LYS A 29 -6.609 20.861 28.298 1.00 39.62 H new ATOM 260 N LEU A 30 -3.202 20.457 22.845 1.00 16.37 N ATOM 261 CA LEU A 30 -1.777 20.781 22.714 1.00 15.81 C ATOM 262 C LEU A 30 -1.123 20.946 24.059 1.00 16.77 C ATOM 263 O LEU A 30 -1.626 21.669 24.912 1.00 19.65 O ATOM 264 CB LEU A 30 -1.482 21.975 21.767 1.00 15.05 C ATOM 265 CG LEU A 30 -0.003 22.449 21.653 1.00 15.40 C ATOM 266 CD1 LEU A 30 0.849 21.452 20.846 1.00 16.54 C ATOM 267 CD2 LEU A 30 0.074 23.855 21.018 1.00 18.03 C ATOM 0 H LEU A 30 -3.734 21.121 22.718 1.00 16.37 H new ATOM 0 HA LEU A 30 -1.373 20.014 22.279 1.00 15.81 H new ATOM 0 HB2 LEU A 30 -1.790 21.736 20.879 1.00 15.05 H new ATOM 0 HB3 LEU A 30 -2.017 22.729 22.060 1.00 15.05 H new ATOM 0 HG LEU A 30 0.359 22.492 22.552 1.00 15.40 H new ATOM 0 HD11 LEU A 30 1.762 21.775 20.793 1.00 16.54 H new ATOM 0 HD12 LEU A 30 0.837 20.587 21.285 1.00 16.54 H new ATOM 0 HD13 LEU A 30 0.485 21.365 19.951 1.00 16.54 H new ATOM 0 HD21 LEU A 30 1.002 24.132 20.956 1.00 18.03 H new ATOM 0 HD22 LEU A 30 -0.316 23.831 20.130 1.00 18.03 H new ATOM 0 HD23 LEU A 30 -0.415 24.486 21.569 1.00 18.03 H new ATOM 268 N LEU A 31 -0.039 20.206 24.273 1.00 19.88 N ATOM 269 CA LEU A 31 0.668 20.101 25.585 1.00 20.57 C ATOM 270 C LEU A 31 2.003 20.792 25.623 1.00 21.98 C ATOM 271 O LEU A 31 2.414 21.339 26.672 1.00 23.59 O ATOM 272 CB LEU A 31 0.908 18.648 25.889 1.00 21.14 C ATOM 273 CG LEU A 31 -0.420 17.897 25.868 1.00 26.25 C ATOM 274 CD1 LEU A 31 -0.207 16.382 25.991 1.00 26.76 C ATOM 275 CD2 LEU A 31 -1.248 18.433 27.016 1.00 23.72 C ATOM 0 H LEU A 31 0.327 19.734 23.655 1.00 19.88 H new ATOM 0 HA LEU A 31 0.095 20.537 26.235 1.00 20.57 H new ATOM 0 HB2 LEU A 31 1.516 18.267 25.236 1.00 21.14 H new ATOM 0 HB3 LEU A 31 1.330 18.555 26.758 1.00 21.14 H new ATOM 0 HG LEU A 31 -0.877 18.036 25.024 1.00 26.25 H new ATOM 0 HD11 LEU A 31 -1.066 15.932 25.975 1.00 26.76 H new ATOM 0 HD12 LEU A 31 0.335 16.070 25.250 1.00 26.76 H new ATOM 0 HD13 LEU A 31 0.245 16.185 26.826 1.00 26.76 H new ATOM 0 HD21 LEU A 31 -2.105 17.979 27.037 1.00 23.72 H new ATOM 0 HD22 LEU A 31 -0.780 18.280 27.852 1.00 23.72 H new ATOM 0 HD23 LEU A 31 -1.390 19.385 26.896 1.00 23.72 H new ATOM 276 N LEU A 32 2.743 20.732 24.517 1.00 18.39 N ATOM 277 CA LEU A 32 4.074 21.245 24.562 1.00 20.29 C ATOM 278 C LEU A 32 4.472 21.515 23.138 1.00 19.79 C ATOM 279 O LEU A 32 3.961 20.879 22.248 1.00 21.94 O ATOM 280 CB LEU A 32 4.949 20.149 25.236 1.00 21.78 C ATOM 281 CG LEU A 32 6.469 20.012 25.151 1.00 25.32 C ATOM 282 CD1 LEU A 32 6.976 19.806 23.714 1.00 23.73 C ATOM 283 CD2 LEU A 32 7.168 21.133 25.874 1.00 29.84 C ATOM 0 H LEU A 32 2.490 20.407 23.762 1.00 18.39 H new ATOM 0 HA LEU A 32 4.172 22.066 25.069 1.00 20.29 H new ATOM 0 HB2 LEU A 32 4.747 20.203 26.183 1.00 21.78 H new ATOM 0 HB3 LEU A 32 4.595 19.304 24.918 1.00 21.78 H new ATOM 0 HG LEU A 32 6.703 19.194 25.617 1.00 25.32 H new ATOM 0 HD11 LEU A 32 7.943 19.726 23.720 1.00 23.73 H new ATOM 0 HD12 LEU A 32 6.587 18.997 23.346 1.00 23.73 H new ATOM 0 HD13 LEU A 32 6.718 20.565 23.168 1.00 23.73 H new ATOM 0 HD21 LEU A 32 8.128 21.016 25.801 1.00 29.84 H new ATOM 0 HD22 LEU A 32 6.915 21.981 25.478 1.00 29.84 H new ATOM 0 HD23 LEU A 32 6.912 21.124 26.810 1.00 29.84 H new ATOM 284 N THR A 33 5.300 22.519 22.921 1.00 17.29 N ATOM 285 CA THR A 33 6.077 22.675 21.715 1.00 18.40 C ATOM 286 C THR A 33 7.538 23.042 22.027 1.00 23.13 C ATOM 287 O THR A 33 7.883 23.592 23.101 1.00 20.93 O ATOM 288 CB THR A 33 5.492 23.725 20.747 1.00 20.49 C ATOM 289 OG1 THR A 33 5.449 24.993 21.437 1.00 20.64 O ATOM 290 CG2 THR A 33 4.077 23.317 20.334 1.00 18.77 C ATOM 0 H THR A 33 5.428 23.149 23.492 1.00 17.29 H new ATOM 0 HA THR A 33 6.043 21.810 21.276 1.00 18.40 H new ATOM 0 HB THR A 33 6.041 23.791 19.950 1.00 20.49 H new ATOM 0 HG1 THR A 33 5.276 25.605 20.888 1.00 20.64 H new ATOM 0 HG21 THR A 33 3.713 23.980 19.726 1.00 18.77 H new ATOM 0 HG22 THR A 33 4.105 22.454 19.892 1.00 18.77 H new ATOM 0 HG23 THR A 33 3.514 23.258 21.122 1.00 18.77 H new ATOM 291 N GLY A 34 8.391 22.703 21.086 1.00 23.28 N ATOM 292 CA GLY A 34 9.783 23.114 21.124 1.00 30.00 C ATOM 293 C GLY A 34 10.083 23.292 19.686 1.00 32.32 C ATOM 294 O GLY A 34 9.157 23.532 18.877 1.00 36.38 O ATOM 0 H GLY A 34 8.183 22.226 20.402 1.00 23.28 H new ATOM 0 HA2 GLY A 34 9.907 23.935 21.626 1.00 30.00 H new ATOM 0 HA3 GLY A 34 10.350 22.442 21.534 1.00 30.00 H new ATOM 295 N LYS A 35 11.374 23.232 19.372 1.00 40.99 N ATOM 296 CA LYS A 35 11.822 22.761 18.057 1.00 44.03 C ATOM 297 C LYS A 35 10.833 23.174 16.916 1.00 44.23 C ATOM 298 O LYS A 35 10.418 24.350 16.897 1.00 48.50 O ATOM 299 CB LYS A 35 12.088 21.245 18.145 1.00 38.03 C ATOM 300 CG LYS A 35 12.448 20.711 19.513 1.00 40.19 C ATOM 301 CD LYS A 35 13.716 21.316 20.082 1.00 36.50 C ATOM 302 CE LYS A 35 13.475 21.553 21.570 1.00 42.28 C ATOM 303 NZ LYS A 35 13.846 22.922 22.033 1.00 43.72 N ATOM 0 H LYS A 35 12.010 23.459 19.905 1.00 40.99 H new ATOM 0 HA LYS A 35 12.654 23.195 17.812 1.00 44.03 H new ATOM 0 HB2 LYS A 35 11.297 20.778 17.833 1.00 38.03 H new ATOM 0 HB3 LYS A 35 12.807 21.025 17.532 1.00 38.03 H new ATOM 0 HG2 LYS A 35 11.714 20.883 20.123 1.00 40.19 H new ATOM 0 HG3 LYS A 35 12.553 19.748 19.459 1.00 40.19 H new ATOM 0 HD2 LYS A 35 14.470 20.720 19.948 1.00 36.50 H new ATOM 0 HD3 LYS A 35 13.929 22.149 19.633 1.00 36.50 H new ATOM 0 HE2 LYS A 35 12.538 21.398 21.765 1.00 42.28 H new ATOM 0 HE3 LYS A 35 13.982 20.901 22.078 1.00 42.28 H new ATOM 0 HZ1 LYS A 35 13.682 22.995 22.905 1.00 43.72 H new ATOM 0 HZ2 LYS A 35 14.712 23.063 21.881 1.00 43.72 H new ATOM 0 HZ3 LYS A 35 13.366 23.526 21.590 1.00 43.72 H new ATOM 304 N LYS A 36 10.406 22.326 15.969 1.00 39.12 N ATOM 305 CA LYS A 36 10.683 20.900 15.722 1.00 33.34 C ATOM 306 C LYS A 36 9.760 19.916 16.394 1.00 27.70 C ATOM 307 O LYS A 36 9.566 18.863 15.857 1.00 29.47 O ATOM 308 CB LYS A 36 12.172 20.458 15.788 1.00 35.99 C ATOM 309 CG LYS A 36 13.013 20.781 14.566 1.00 40.19 C ATOM 310 CD LYS A 36 14.447 20.274 14.756 1.00 42.67 C ATOM 311 CE LYS A 36 15.412 20.737 13.664 1.00 43.42 C ATOM 312 NZ LYS A 36 16.262 21.926 14.001 1.00 42.44 N ATOM 0 H LYS A 36 9.866 22.620 15.368 1.00 39.12 H new ATOM 0 HA LYS A 36 10.457 20.856 14.780 1.00 33.34 H new ATOM 0 HB2 LYS A 36 12.582 20.876 16.561 1.00 35.99 H new ATOM 0 HB3 LYS A 36 12.201 19.500 15.935 1.00 35.99 H new ATOM 0 HG2 LYS A 36 12.621 20.372 13.779 1.00 40.19 H new ATOM 0 HG3 LYS A 36 13.020 21.739 14.415 1.00 40.19 H new ATOM 0 HD2 LYS A 36 14.777 20.575 15.617 1.00 42.67 H new ATOM 0 HD3 LYS A 36 14.438 19.304 14.779 1.00 42.67 H new ATOM 0 HE2 LYS A 36 15.997 19.997 13.438 1.00 43.42 H new ATOM 0 HE3 LYS A 36 14.897 20.944 12.868 1.00 43.42 H new ATOM 0 HZ1 LYS A 36 16.788 22.121 13.310 1.00 42.44 H new ATOM 0 HZ2 LYS A 36 15.739 22.623 14.181 1.00 42.44 H new ATOM 0 HZ3 LYS A 36 16.764 21.740 14.712 1.00 42.44 H new ATOM 313 N THR A 37 9.183 20.227 17.547 1.00 23.68 N ATOM 314 CA THR A 37 8.314 19.231 18.174 1.00 23.76 C ATOM 315 C THR A 37 7.014 19.788 18.726 1.00 22.55 C ATOM 316 O THR A 37 6.989 20.956 19.198 1.00 20.08 O ATOM 317 CB THR A 37 9.066 18.462 19.289 1.00 25.03 C ATOM 318 OG1 THR A 37 9.157 19.276 20.452 1.00 29.32 O ATOM 319 CG2 THR A 37 10.506 18.109 18.890 1.00 24.41 C ATOM 0 H THR A 37 9.272 20.971 17.969 1.00 23.68 H new ATOM 0 HA THR A 37 8.069 18.626 17.456 1.00 23.76 H new ATOM 0 HB THR A 37 8.564 17.647 19.446 1.00 25.03 H new ATOM 0 HG1 THR A 37 9.564 18.857 21.056 1.00 29.32 H new ATOM 0 HG21 THR A 37 10.935 17.630 19.616 1.00 24.41 H new ATOM 0 HG22 THR A 37 10.495 17.550 18.097 1.00 24.41 H new ATOM 0 HG23 THR A 37 10.999 18.923 18.704 1.00 24.41 H new ATOM 320 N ALA A 38 5.935 18.978 18.672 1.00 19.30 N ATOM 321 CA ALA A 38 4.673 19.239 19.420 1.00 18.07 C ATOM 322 C ALA A 38 4.093 17.960 20.045 1.00 17.50 C ATOM 323 O ALA A 38 4.194 16.934 19.439 1.00 17.78 O ATOM 324 CB ALA A 38 3.627 19.942 18.539 1.00 16.86 C ATOM 0 H ALA A 38 5.912 18.259 18.200 1.00 19.30 H new ATOM 0 HA ALA A 38 4.902 19.838 20.148 1.00 18.07 H new ATOM 0 HB1 ALA A 38 2.820 20.097 19.055 1.00 16.86 H new ATOM 0 HB2 ALA A 38 3.981 20.791 18.231 1.00 16.86 H new ATOM 0 HB3 ALA A 38 3.419 19.383 17.774 1.00 16.86 H new ATOM 325 N TYR A 39 3.543 18.024 21.261 1.00 16.14 N ATOM 326 CA TYR A 39 2.933 16.850 21.903 1.00 16.43 C ATOM 327 C TYR A 39 1.465 17.146 22.046 1.00 16.54 C ATOM 328 O TYR A 39 1.133 18.256 22.414 1.00 17.58 O ATOM 329 CB TYR A 39 3.459 16.588 23.312 1.00 16.73 C ATOM 330 CG TYR A 39 4.894 16.045 23.410 1.00 20.85 C ATOM 331 CD1 TYR A 39 5.647 15.678 22.267 1.00 20.00 C ATOM 332 CD2 TYR A 39 5.459 15.818 24.688 1.00 21.03 C ATOM 333 CE1 TYR A 39 6.963 15.170 22.381 1.00 20.90 C ATOM 334 CE2 TYR A 39 6.732 15.301 24.808 1.00 22.26 C ATOM 335 CZ TYR A 39 7.480 14.989 23.670 1.00 23.88 C ATOM 336 OH TYR A 39 8.760 14.485 23.912 1.00 25.93 O ATOM 0 H TYR A 39 3.512 18.741 21.734 1.00 16.14 H new ATOM 0 HA TYR A 39 3.137 16.075 21.356 1.00 16.43 H new ATOM 0 HB2 TYR A 39 3.411 17.416 23.814 1.00 16.73 H new ATOM 0 HB3 TYR A 39 2.864 15.958 23.747 1.00 16.73 H new ATOM 0 HD1 TYR A 39 5.268 15.773 21.423 1.00 20.00 H new ATOM 0 HD2 TYR A 39 4.968 16.019 25.452 1.00 21.03 H new ATOM 0 HE1 TYR A 39 7.467 14.964 21.627 1.00 20.90 H new ATOM 0 HE2 TYR A 39 7.095 15.159 25.652 1.00 22.26 H new ATOM 0 HH TYR A 39 8.990 14.669 24.699 1.00 25.93 H new ATOM 337 N PHE A 40 0.625 16.182 21.715 1.00 17.30 N ATOM 338 CA PHE A 40 -0.828 16.281 21.883 1.00 17.10 C ATOM 339 C PHE A 40 -1.338 15.147 22.725 1.00 16.78 C ATOM 340 O PHE A 40 -0.686 14.129 22.793 1.00 16.49 O ATOM 341 CB PHE A 40 -1.536 16.176 20.551 1.00 19.19 C ATOM 342 CG PHE A 40 -1.356 17.367 19.698 1.00 21.97 C ATOM 343 CD1 PHE A 40 -2.243 18.421 19.782 1.00 27.00 C ATOM 344 CD2 PHE A 40 -0.331 17.403 18.782 1.00 24.33 C ATOM 345 CE1 PHE A 40 -2.052 19.535 18.981 1.00 28.42 C ATOM 346 CE2 PHE A 40 -0.136 18.522 18.006 1.00 26.13 C ATOM 347 CZ PHE A 40 -1.001 19.557 18.106 1.00 22.85 C ATOM 0 H PHE A 40 0.881 15.433 21.379 1.00 17.30 H new ATOM 0 HA PHE A 40 -1.004 17.138 22.301 1.00 17.10 H new ATOM 0 HB2 PHE A 40 -1.208 15.395 20.078 1.00 19.19 H new ATOM 0 HB3 PHE A 40 -2.483 16.037 20.706 1.00 19.19 H new ATOM 0 HD1 PHE A 40 -2.962 18.384 20.371 1.00 27.00 H new ATOM 0 HD2 PHE A 40 0.232 16.669 18.687 1.00 24.33 H new ATOM 0 HE1 PHE A 40 -2.632 20.260 19.038 1.00 28.42 H new ATOM 0 HE2 PHE A 40 0.583 18.566 17.418 1.00 26.13 H new ATOM 0 HZ PHE A 40 -0.878 20.304 17.565 1.00 22.85 H new ATOM 348 N GLU A 41 -2.482 15.340 23.382 1.00 16.76 N ATOM 349 CA GLU A 41 -3.285 14.218 23.904 1.00 18.99 C ATOM 350 C GLU A 41 -4.502 14.174 22.962 1.00 17.88 C ATOM 351 O GLU A 41 -5.158 15.207 22.764 1.00 17.69 O ATOM 352 CB GLU A 41 -3.684 14.424 25.402 1.00 21.66 C ATOM 353 CG GLU A 41 -4.946 13.701 25.856 1.00 29.53 C ATOM 354 CD GLU A 41 -5.032 13.548 27.378 1.00 35.66 C ATOM 355 OE1 GLU A 41 -5.609 14.436 28.035 1.00 38.80 O ATOM 356 OE2 GLU A 41 -4.464 12.572 27.928 1.00 39.93 O ATOM 0 H GLU A 41 -2.817 16.116 23.539 1.00 16.76 H new ATOM 0 HA GLU A 41 -2.798 13.379 23.912 1.00 18.99 H new ATOM 0 HB2 GLU A 41 -2.946 14.132 25.959 1.00 21.66 H new ATOM 0 HB3 GLU A 41 -3.801 15.374 25.561 1.00 21.66 H new ATOM 0 HG2 GLU A 41 -5.723 14.188 25.540 1.00 29.53 H new ATOM 0 HG3 GLU A 41 -4.975 12.823 25.445 1.00 29.53 H new ATOM 357 N LEU A 42 -4.742 13.028 22.296 1.00 14.51 N ATOM 358 CA LEU A 42 -5.878 12.953 21.374 1.00 14.83 C ATOM 359 C LEU A 42 -6.493 11.577 21.570 1.00 14.69 C ATOM 360 O LEU A 42 -5.775 10.573 21.552 1.00 14.03 O ATOM 361 CB LEU A 42 -5.431 13.191 19.899 1.00 13.57 C ATOM 362 CG LEU A 42 -6.569 12.963 18.861 1.00 14.50 C ATOM 363 CD1 LEU A 42 -7.584 14.103 18.835 1.00 13.92 C ATOM 364 CD2 LEU A 42 -5.991 12.779 17.458 1.00 15.58 C ATOM 0 H LEU A 42 -4.274 12.310 22.364 1.00 14.51 H new ATOM 0 HA LEU A 42 -6.529 13.648 21.560 1.00 14.83 H new ATOM 0 HB2 LEU A 42 -5.100 14.099 19.811 1.00 13.57 H new ATOM 0 HB3 LEU A 42 -4.691 12.598 19.693 1.00 13.57 H new ATOM 0 HG LEU A 42 -7.032 12.158 19.141 1.00 14.50 H new ATOM 0 HD11 LEU A 42 -8.268 13.912 18.175 1.00 13.92 H new ATOM 0 HD12 LEU A 42 -7.995 14.191 19.709 1.00 13.92 H new ATOM 0 HD13 LEU A 42 -7.135 14.931 18.604 1.00 13.92 H new ATOM 0 HD21 LEU A 42 -6.713 12.638 16.826 1.00 15.58 H new ATOM 0 HD22 LEU A 42 -5.492 13.572 17.207 1.00 15.58 H new ATOM 0 HD23 LEU A 42 -5.400 12.010 17.449 1.00 15.58 H new ATOM 365 N ALA A 43 -7.777 11.538 21.875 1.00 15.06 N ATOM 366 CA ALA A 43 -8.450 10.242 22.009 1.00 15.44 C ATOM 367 C ALA A 43 -7.758 9.376 23.124 1.00 17.00 C ATOM 368 O ALA A 43 -7.622 8.163 22.989 1.00 17.56 O ATOM 369 CB ALA A 43 -8.412 9.542 20.666 1.00 14.78 C ATOM 0 H ALA A 43 -8.274 12.227 22.007 1.00 15.06 H new ATOM 0 HA ALA A 43 -9.373 10.371 22.277 1.00 15.44 H new ATOM 0 HB1 ALA A 43 -8.854 8.681 20.737 1.00 14.78 H new ATOM 0 HB2 ALA A 43 -8.868 10.086 20.005 1.00 14.78 H new ATOM 0 HB3 ALA A 43 -7.490 9.410 20.396 1.00 14.78 H new ATOM 370 N GLY A 44 -7.274 10.019 24.180 1.00 17.53 N ATOM 371 CA GLY A 44 -6.570 9.345 25.296 1.00 20.13 C ATOM 372 C GLY A 44 -5.133 8.905 24.995 1.00 24.11 C ATOM 373 O GLY A 44 -4.581 8.128 25.753 1.00 24.12 O ATOM 0 H GLY A 44 -7.340 10.871 24.281 1.00 17.53 H new ATOM 0 HA2 GLY A 44 -6.556 9.944 26.059 1.00 20.13 H new ATOM 0 HA3 GLY A 44 -7.083 8.565 25.558 1.00 20.13 H new ATOM 374 N LEU A 45 -4.539 9.387 23.896 1.00 20.43 N ATOM 375 CA LEU A 45 -3.227 8.886 23.398 1.00 23.45 C ATOM 376 C LEU A 45 -2.247 10.065 23.307 1.00 22.03 C ATOM 377 O LEU A 45 -2.610 11.165 22.872 1.00 21.84 O ATOM 378 CB LEU A 45 -3.391 8.207 22.011 1.00 22.69 C ATOM 379 CG LEU A 45 -2.143 7.856 21.187 1.00 27.00 C ATOM 380 CD1 LEU A 45 -1.314 6.781 21.895 1.00 27.98 C ATOM 381 CD2 LEU A 45 -2.465 7.440 19.757 1.00 29.59 C ATOM 0 H LEU A 45 -4.877 10.013 23.413 1.00 20.43 H new ATOM 0 HA LEU A 45 -2.880 8.222 24.014 1.00 23.45 H new ATOM 0 HB2 LEU A 45 -3.890 7.386 22.147 1.00 22.69 H new ATOM 0 HB3 LEU A 45 -3.944 8.789 21.467 1.00 22.69 H new ATOM 0 HG LEU A 45 -1.618 8.669 21.121 1.00 27.00 H new ATOM 0 HD11 LEU A 45 -0.531 6.572 21.361 1.00 27.98 H new ATOM 0 HD12 LEU A 45 -1.034 7.108 22.764 1.00 27.98 H new ATOM 0 HD13 LEU A 45 -1.850 5.981 22.008 1.00 27.98 H new ATOM 0 HD21 LEU A 45 -1.642 7.231 19.287 1.00 29.59 H new ATOM 0 HD22 LEU A 45 -3.038 6.657 19.769 1.00 29.59 H new ATOM 0 HD23 LEU A 45 -2.920 8.166 19.303 1.00 29.59 H new ATOM 382 N TRP A 46 -1.027 9.870 23.758 1.00 20.65 N ATOM 383 CA TRP A 46 0.012 10.879 23.552 1.00 18.86 C ATOM 384 C TRP A 46 0.412 10.797 22.074 1.00 17.85 C ATOM 385 O TRP A 46 0.855 9.722 21.610 1.00 14.10 O ATOM 386 CB TRP A 46 1.133 10.567 24.562 1.00 22.05 C ATOM 387 CG TRP A 46 2.498 11.250 24.464 1.00 20.19 C ATOM 388 CD1 TRP A 46 2.865 12.345 23.674 1.00 20.79 C ATOM 389 CD2 TRP A 46 3.745 10.874 25.181 1.00 20.45 C ATOM 390 NE1 TRP A 46 4.192 12.665 23.853 1.00 18.04 N ATOM 391 CE2 TRP A 46 4.773 11.831 24.743 1.00 20.64 C ATOM 392 CE3 TRP A 46 4.091 9.892 26.103 1.00 20.35 C ATOM 393 CZ2 TRP A 46 6.057 11.788 25.220 1.00 19.78 C ATOM 394 CZ3 TRP A 46 5.405 9.873 26.588 1.00 20.11 C ATOM 395 CH2 TRP A 46 6.351 10.787 26.146 1.00 21.42 C ATOM 0 H TRP A 46 -0.771 9.168 24.184 1.00 20.65 H new ATOM 0 HA TRP A 46 -0.258 11.796 23.715 1.00 18.86 H new ATOM 0 HB2 TRP A 46 0.781 10.761 25.445 1.00 22.05 H new ATOM 0 HB3 TRP A 46 1.291 9.611 24.524 1.00 22.05 H new ATOM 0 HD1 TRP A 46 2.288 12.798 23.102 1.00 20.79 H new ATOM 0 HE1 TRP A 46 4.597 13.309 23.452 1.00 18.04 H new ATOM 0 HE3 TRP A 46 3.467 9.265 26.390 1.00 20.35 H new ATOM 0 HZ2 TRP A 46 6.702 12.397 24.940 1.00 19.78 H new ATOM 0 HZ3 TRP A 46 5.648 9.235 27.219 1.00 20.11 H new ATOM 0 HH2 TRP A 46 7.217 10.730 26.481 1.00 21.42 H new ATOM 396 N ILE A 47 0.295 11.913 21.335 1.00 13.99 N ATOM 397 CA ILE A 47 0.845 11.936 19.959 1.00 14.69 C ATOM 398 C ILE A 47 2.009 12.935 19.935 1.00 14.47 C ATOM 399 O ILE A 47 1.838 14.063 20.392 1.00 15.45 O ATOM 400 CB ILE A 47 -0.247 12.317 18.955 1.00 14.05 C ATOM 401 CG1 ILE A 47 -1.248 11.109 18.853 1.00 17.66 C ATOM 402 CG2 ILE A 47 0.400 12.636 17.588 1.00 12.18 C ATOM 403 CD1 ILE A 47 -2.630 11.423 18.314 1.00 18.24 C ATOM 0 H ILE A 47 -0.082 12.641 21.595 1.00 13.99 H new ATOM 0 HA ILE A 47 1.168 11.058 19.704 1.00 14.69 H new ATOM 0 HB ILE A 47 -0.730 13.108 19.242 1.00 14.05 H new ATOM 0 HG12 ILE A 47 -0.848 10.430 18.288 1.00 17.66 H new ATOM 0 HG13 ILE A 47 -1.347 10.721 19.736 1.00 17.66 H new ATOM 0 HG21 ILE A 47 -0.291 12.877 16.951 1.00 12.18 H new ATOM 0 HG22 ILE A 47 1.020 13.375 17.688 1.00 12.18 H new ATOM 0 HG23 ILE A 47 0.878 11.856 17.266 1.00 12.18 H new ATOM 0 HD11 ILE A 47 -3.162 10.612 18.294 1.00 18.24 H new ATOM 0 HD12 ILE A 47 -3.060 12.077 18.887 1.00 18.24 H new ATOM 0 HD13 ILE A 47 -2.554 11.781 17.416 1.00 18.24 H new ATOM 404 N ALA A 48 3.178 12.524 19.437 1.00 13.86 N ATOM 405 CA ALA A 48 4.335 13.399 19.318 1.00 14.96 C ATOM 406 C ALA A 48 4.635 13.690 17.848 1.00 15.60 C ATOM 407 O ALA A 48 4.767 12.792 17.042 1.00 17.54 O ATOM 408 CB ALA A 48 5.559 12.785 20.032 1.00 15.49 C ATOM 0 H ALA A 48 3.318 11.723 19.158 1.00 13.86 H new ATOM 0 HA ALA A 48 4.133 14.242 19.754 1.00 14.96 H new ATOM 0 HB1 ALA A 48 6.319 13.381 19.942 1.00 15.49 H new ATOM 0 HB2 ALA A 48 5.356 12.660 20.972 1.00 15.49 H new ATOM 0 HB3 ALA A 48 5.772 11.928 19.631 1.00 15.49 H new ATOM 409 N LEU A 49 4.668 14.960 17.464 1.00 15.21 N ATOM 410 CA LEU A 49 5.067 15.310 16.111 1.00 14.72 C ATOM 411 C LEU A 49 6.498 15.835 16.069 1.00 16.67 C ATOM 412 O LEU A 49 6.881 16.627 16.956 1.00 17.41 O ATOM 413 CB LEU A 49 4.127 16.330 15.500 1.00 14.21 C ATOM 414 CG LEU A 49 2.629 16.134 15.758 1.00 14.09 C ATOM 415 CD1 LEU A 49 1.835 17.322 15.240 1.00 15.90 C ATOM 416 CD2 LEU A 49 2.175 14.912 15.026 1.00 13.81 C ATOM 0 H LEU A 49 4.465 15.627 17.967 1.00 15.21 H new ATOM 0 HA LEU A 49 5.021 14.496 15.586 1.00 14.72 H new ATOM 0 HB2 LEU A 49 4.378 17.207 15.829 1.00 14.21 H new ATOM 0 HB3 LEU A 49 4.270 16.336 14.541 1.00 14.21 H new ATOM 0 HG LEU A 49 2.484 16.046 16.713 1.00 14.09 H new ATOM 0 HD11 LEU A 49 0.891 17.180 15.412 1.00 15.90 H new ATOM 0 HD12 LEU A 49 2.128 18.129 15.692 1.00 15.90 H new ATOM 0 HD13 LEU A 49 1.979 17.416 14.285 1.00 15.90 H new ATOM 0 HD21 LEU A 49 1.227 14.775 15.181 1.00 13.81 H new ATOM 0 HD22 LEU A 49 2.334 15.026 14.076 1.00 13.81 H new ATOM 0 HD23 LEU A 49 2.669 14.141 15.346 1.00 13.81 H new ATOM 417 N ASN A 50 7.302 15.356 15.117 1.00 16.76 N ATOM 418 CA ASN A 50 8.692 15.871 14.913 1.00 20.71 C ATOM 419 C ASN A 50 8.759 16.520 13.552 1.00 21.56 C ATOM 420 O ASN A 50 8.540 15.852 12.557 1.00 20.34 O ATOM 421 CB ASN A 50 9.724 14.733 14.910 1.00 26.72 C ATOM 422 CG ASN A 50 9.918 14.135 16.277 1.00 30.25 C ATOM 423 OD1 ASN A 50 10.065 14.845 17.272 1.00 36.23 O ATOM 424 ND2 ASN A 50 9.905 12.809 16.336 1.00 33.44 N ATOM 0 H ASN A 50 7.075 14.732 14.571 1.00 16.76 H new ATOM 0 HA ASN A 50 8.892 16.487 15.635 1.00 20.71 H new ATOM 0 HB2 ASN A 50 9.437 14.041 14.294 1.00 26.72 H new ATOM 0 HB3 ASN A 50 10.573 15.070 14.583 1.00 26.72 H new ATOM 0 HD21 ASN A 50 10.002 12.411 17.092 1.00 33.44 H new ATOM 0 HD22 ASN A 50 9.800 12.348 15.618 1.00 33.44 H new ATOM 425 N GLU A 51 9.025 17.816 13.496 1.00 20.29 N ATOM 426 CA GLU A 51 9.074 18.490 12.218 1.00 20.94 C ATOM 427 C GLU A 51 10.348 18.118 11.443 1.00 22.98 C ATOM 428 O GLU A 51 11.456 18.254 11.957 1.00 26.17 O ATOM 429 CB GLU A 51 8.934 20.020 12.348 1.00 20.97 C ATOM 430 CG GLU A 51 8.744 20.691 10.978 1.00 22.88 C ATOM 431 CD GLU A 51 8.704 22.214 11.071 1.00 27.33 C ATOM 432 OE1 GLU A 51 7.589 22.825 11.101 1.00 26.02 O ATOM 433 OE2 GLU A 51 9.828 22.795 11.139 1.00 29.59 O ATOM 0 H GLU A 51 9.178 18.315 14.179 1.00 20.29 H new ATOM 0 HA GLU A 51 8.306 18.180 11.712 1.00 20.94 H new ATOM 0 HB2 GLU A 51 8.178 20.229 12.919 1.00 20.97 H new ATOM 0 HB3 GLU A 51 9.724 20.382 12.779 1.00 20.97 H new ATOM 0 HG2 GLU A 51 9.467 20.425 10.388 1.00 22.88 H new ATOM 0 HG3 GLU A 51 7.920 20.373 10.577 1.00 22.88 H new ATOM 434 N GLU A 52 10.163 17.610 10.226 1.00 21.80 N ATOM 435 CA GLU A 52 11.244 17.350 9.279 1.00 28.33 C ATOM 436 C GLU A 52 10.821 17.931 7.904 1.00 28.71 C ATOM 437 O GLU A 52 10.079 17.295 7.107 1.00 26.54 O ATOM 438 CB GLU A 52 11.504 15.850 9.155 1.00 28.04 C ATOM 439 CG GLU A 52 11.778 15.060 10.419 1.00 34.91 C ATOM 440 CD GLU A 52 11.704 13.562 10.146 1.00 38.73 C ATOM 441 OE1 GLU A 52 11.527 12.752 11.093 1.00 42.79 O ATOM 442 OE2 GLU A 52 11.783 13.190 8.952 1.00 38.94 O ATOM 0 H GLU A 52 9.386 17.402 9.921 1.00 21.80 H new ATOM 0 HA GLU A 52 12.063 17.767 9.589 1.00 28.33 H new ATOM 0 HB2 GLU A 52 10.735 15.452 8.718 1.00 28.04 H new ATOM 0 HB3 GLU A 52 12.261 15.729 8.561 1.00 28.04 H new ATOM 0 HG2 GLU A 52 12.656 15.287 10.764 1.00 34.91 H new ATOM 0 HG3 GLU A 52 11.133 15.301 11.103 1.00 34.91 H new ATOM 443 N LYS A 53 11.292 19.133 7.615 1.00 33.95 N ATOM 444 CA LYS A 53 10.733 19.953 6.519 1.00 40.63 C ATOM 445 C LYS A 53 10.985 19.410 5.090 1.00 48.79 C ATOM 446 O LYS A 53 10.399 19.928 4.117 1.00 50.21 O ATOM 447 CB LYS A 53 11.199 21.427 6.621 1.00 45.64 C ATOM 448 CG LYS A 53 11.028 22.121 7.985 1.00 49.92 C ATOM 449 CD LYS A 53 10.901 23.661 7.879 1.00 52.99 C ATOM 450 CE LYS A 53 9.485 24.227 8.156 1.00 48.44 C ATOM 451 NZ LYS A 53 8.352 23.581 7.405 1.00 43.68 N ATOM 0 H LYS A 53 11.941 19.506 8.039 1.00 33.95 H new ATOM 0 HA LYS A 53 9.773 19.900 6.650 1.00 40.63 H new ATOM 0 HB2 LYS A 53 12.138 21.464 6.380 1.00 45.64 H new ATOM 0 HB3 LYS A 53 10.715 21.943 5.957 1.00 45.64 H new ATOM 0 HG2 LYS A 53 10.238 21.767 8.424 1.00 49.92 H new ATOM 0 HG3 LYS A 53 11.787 21.904 8.549 1.00 49.92 H new ATOM 0 HD2 LYS A 53 11.523 24.066 8.503 1.00 52.99 H new ATOM 0 HD3 LYS A 53 11.174 23.933 6.989 1.00 52.99 H new ATOM 0 HE2 LYS A 53 9.305 24.148 9.106 1.00 48.44 H new ATOM 0 HE3 LYS A 53 9.489 25.174 7.946 1.00 48.44 H new ATOM 0 HZ1 LYS A 53 7.576 23.857 7.742 1.00 43.68 H new ATOM 0 HZ2 LYS A 53 8.399 23.807 6.545 1.00 43.68 H new ATOM 0 HZ3 LYS A 53 8.410 22.696 7.483 1.00 43.68 H new ATOM 452 N ASP A 54 11.843 18.392 4.943 1.00 54.83 N ATOM 453 CA ASP A 54 12.118 17.808 3.611 1.00 61.81 C ATOM 454 C ASP A 54 11.612 16.356 3.403 1.00 60.07 C ATOM 455 O ASP A 54 12.258 15.553 2.735 1.00 59.21 O ATOM 456 CB ASP A 54 13.608 17.902 3.288 1.00 62.98 C ATOM 457 CG ASP A 54 14.407 16.887 4.047 1.00 70.07 C ATOM 458 OD1 ASP A 54 15.066 16.051 3.394 1.00 77.25 O ATOM 459 OD2 ASP A 54 14.324 16.886 5.296 1.00 67.64 O ATOM 0 H ASP A 54 12.274 18.026 5.591 1.00 54.83 H new ATOM 0 HA ASP A 54 11.600 18.344 2.991 1.00 61.81 H new ATOM 0 HB2 ASP A 54 13.741 17.773 2.336 1.00 62.98 H new ATOM 0 HB3 ASP A 54 13.930 18.792 3.501 1.00 62.98 H new ATOM 460 N ILE A 55 10.449 16.039 3.964 1.00 62.21 N ATOM 461 CA ILE A 55 9.819 14.729 3.779 1.00 65.00 C ATOM 462 C ILE A 55 9.366 14.515 2.321 1.00 63.61 C ATOM 463 O ILE A 55 8.906 15.467 1.683 1.00 66.17 O ATOM 464 CB ILE A 55 8.626 14.598 4.747 1.00 65.12 C ATOM 465 CG1 ILE A 55 8.780 13.358 5.621 1.00 67.72 C ATOM 466 CG2 ILE A 55 7.269 14.683 4.028 1.00 67.92 C ATOM 467 CD1 ILE A 55 8.126 13.525 6.975 1.00 70.51 C ATOM 0 H ILE A 55 10.000 16.576 4.464 1.00 62.21 H new ATOM 0 HA ILE A 55 10.474 14.041 3.976 1.00 65.00 H new ATOM 0 HB ILE A 55 8.635 15.364 5.342 1.00 65.12 H new ATOM 0 HG12 ILE A 55 8.389 12.595 5.167 1.00 67.72 H new ATOM 0 HG13 ILE A 55 9.723 13.165 5.741 1.00 67.72 H new ATOM 0 HG21 ILE A 55 6.553 14.596 4.676 1.00 67.92 H new ATOM 0 HG22 ILE A 55 7.194 15.539 3.578 1.00 67.92 H new ATOM 0 HG23 ILE A 55 7.203 13.968 3.376 1.00 67.92 H new ATOM 0 HD11 ILE A 55 8.248 12.716 7.496 1.00 70.51 H new ATOM 0 HD12 ILE A 55 8.532 14.273 7.441 1.00 70.51 H new ATOM 0 HD13 ILE A 55 7.178 13.694 6.858 1.00 70.51 H new ATOM 468 N PRO A 56 9.491 13.272 1.790 1.00 68.53 N ATOM 469 CA PRO A 56 8.977 12.979 0.436 1.00 69.07 C ATOM 470 C PRO A 56 7.462 12.807 0.417 1.00 64.59 C ATOM 471 O PRO A 56 6.747 13.675 -0.083 1.00 66.69 O ATOM 472 CB PRO A 56 9.650 11.646 0.082 1.00 69.61 C ATOM 473 CG PRO A 56 9.857 10.975 1.404 1.00 72.05 C ATOM 474 CD PRO A 56 10.146 12.090 2.389 1.00 70.39 C ATOM 0 HA PRO A 56 9.168 13.700 -0.184 1.00 69.07 H new ATOM 0 HB2 PRO A 56 9.091 11.111 -0.503 1.00 69.61 H new ATOM 0 HB3 PRO A 56 10.491 11.786 -0.380 1.00 69.61 H new ATOM 0 HG2 PRO A 56 9.070 10.473 1.667 1.00 72.05 H new ATOM 0 HG3 PRO A 56 10.594 10.346 1.364 1.00 72.05 H new ATOM 0 HD2 PRO A 56 9.786 11.891 3.267 1.00 70.39 H new ATOM 0 HD3 PRO A 56 11.100 12.229 2.499 1.00 70.39 H new ATOM 475 N PHE A 62 4.072 6.108 2.957 1.00 52.03 N ATOM 476 CA PHE A 62 2.915 6.386 3.818 1.00 52.71 C ATOM 477 C PHE A 62 1.812 5.330 3.735 1.00 50.29 C ATOM 478 O PHE A 62 0.791 5.429 4.420 1.00 48.92 O ATOM 479 CB PHE A 62 2.381 7.806 3.566 1.00 51.19 C ATOM 480 CG PHE A 62 3.297 8.879 4.081 1.00 52.58 C ATOM 481 CD1 PHE A 62 3.237 9.281 5.412 1.00 51.90 C ATOM 482 CD2 PHE A 62 4.242 9.462 3.252 1.00 51.08 C ATOM 483 CE1 PHE A 62 4.101 10.252 5.902 1.00 56.86 C ATOM 484 CE2 PHE A 62 5.111 10.435 3.735 1.00 55.32 C ATOM 485 CZ PHE A 62 5.044 10.827 5.065 1.00 55.62 C ATOM 0 HA PHE A 62 3.234 6.336 4.733 1.00 52.71 H new ATOM 0 HB2 PHE A 62 2.248 7.931 2.613 1.00 51.19 H new ATOM 0 HB3 PHE A 62 1.513 7.899 3.988 1.00 51.19 H new ATOM 0 HD1 PHE A 62 2.611 8.895 5.981 1.00 51.90 H new ATOM 0 HD2 PHE A 62 4.296 9.199 2.361 1.00 51.08 H new ATOM 0 HE1 PHE A 62 4.047 10.516 6.792 1.00 56.86 H new ATOM 0 HE2 PHE A 62 5.737 10.823 3.167 1.00 55.32 H new ATOM 0 HZ PHE A 62 5.629 11.472 5.392 1.00 55.62 H new ATOM 486 N SER A 63 2.060 4.291 2.940 1.00 46.46 N ATOM 487 CA SER A 63 1.038 3.294 2.623 1.00 41.00 C ATOM 488 C SER A 63 1.006 2.052 3.524 1.00 37.47 C ATOM 489 O SER A 63 0.109 1.207 3.392 1.00 39.54 O ATOM 490 CB SER A 63 1.190 2.851 1.156 1.00 45.28 C ATOM 491 OG SER A 63 1.647 3.934 0.368 1.00 47.11 O ATOM 0 H SER A 63 2.822 4.144 2.570 1.00 46.46 H new ATOM 0 HA SER A 63 0.195 3.745 2.785 1.00 41.00 H new ATOM 0 HB2 SER A 63 1.815 2.112 1.097 1.00 45.28 H new ATOM 0 HB3 SER A 63 0.339 2.531 0.817 1.00 45.28 H new ATOM 0 HG SER A 63 1.729 3.685 -0.430 1.00 47.11 H new ATOM 492 N TYR A 64 1.969 1.911 4.427 1.00 34.64 N ATOM 493 CA TYR A 64 2.170 0.597 5.041 1.00 33.74 C ATOM 494 C TYR A 64 1.827 0.591 6.513 1.00 30.44 C ATOM 495 O TYR A 64 2.222 -0.346 7.250 1.00 22.68 O ATOM 496 CB TYR A 64 3.577 0.069 4.823 1.00 31.02 C ATOM 497 CG TYR A 64 3.963 0.111 3.387 1.00 44.75 C ATOM 498 CD1 TYR A 64 3.316 -0.708 2.451 1.00 42.47 C ATOM 499 CD2 TYR A 64 4.976 0.990 2.941 1.00 46.82 C ATOM 500 CE1 TYR A 64 3.659 -0.667 1.123 1.00 49.03 C ATOM 501 CE2 TYR A 64 5.333 1.031 1.601 1.00 50.58 C ATOM 502 CZ TYR A 64 4.668 0.199 0.693 1.00 52.18 C ATOM 503 OH TYR A 64 4.998 0.224 -0.654 1.00 54.80 O ATOM 0 H TYR A 64 2.499 2.534 4.692 1.00 34.64 H new ATOM 0 HA TYR A 64 1.554 -0.001 4.590 1.00 33.74 H new ATOM 0 HB2 TYR A 64 4.205 0.595 5.343 1.00 31.02 H new ATOM 0 HB3 TYR A 64 3.635 -0.843 5.147 1.00 31.02 H new ATOM 0 HD1 TYR A 64 2.645 -1.287 2.734 1.00 42.47 H new ATOM 0 HD2 TYR A 64 5.407 1.545 3.550 1.00 46.82 H new ATOM 0 HE1 TYR A 64 3.221 -1.214 0.511 1.00 49.03 H new ATOM 0 HE2 TYR A 64 6.005 1.604 1.310 1.00 50.58 H new ATOM 0 HH TYR A 64 5.613 0.782 -0.782 1.00 54.80 H new ATOM 504 N THR A 65 1.099 1.644 6.904 1.00 28.66 N ATOM 505 CA THR A 65 0.543 1.760 8.229 1.00 24.37 C ATOM 506 C THR A 65 -0.692 2.687 8.313 1.00 20.06 C ATOM 507 O THR A 65 -0.864 3.603 7.496 1.00 17.88 O ATOM 508 CB THR A 65 1.638 2.162 9.248 1.00 27.47 C ATOM 509 OG1 THR A 65 1.125 1.922 10.555 1.00 31.80 O ATOM 510 CG2 THR A 65 1.996 3.656 9.154 1.00 26.39 C ATOM 0 H THR A 65 0.920 2.311 6.392 1.00 28.66 H new ATOM 0 HA THR A 65 0.210 0.879 8.463 1.00 24.37 H new ATOM 0 HB THR A 65 2.435 1.643 9.058 1.00 27.47 H new ATOM 0 HG1 THR A 65 0.577 1.286 10.529 1.00 31.80 H new ATOM 0 HG21 THR A 65 2.683 3.866 9.806 1.00 26.39 H new ATOM 0 HG22 THR A 65 2.325 3.855 8.263 1.00 26.39 H new ATOM 0 HG23 THR A 65 1.206 4.190 9.333 1.00 26.39 H new ATOM 511 N HIS A 66 -1.585 2.423 9.261 1.00 17.42 N ATOM 512 CA HIS A 66 -2.644 3.417 9.555 1.00 15.39 C ATOM 513 C HIS A 66 -3.021 3.317 10.995 1.00 14.86 C ATOM 514 O HIS A 66 -2.780 2.268 11.621 1.00 14.43 O ATOM 515 CB HIS A 66 -3.881 3.339 8.571 1.00 16.99 C ATOM 516 CG HIS A 66 -4.759 2.146 8.780 1.00 18.01 C ATOM 517 ND1 HIS A 66 -4.945 1.207 7.811 1.00 19.59 N ATOM 518 CD2 HIS A 66 -5.545 1.736 9.868 1.00 17.10 C ATOM 519 CE1 HIS A 66 -5.772 0.229 8.247 1.00 18.75 C ATOM 520 NE2 HIS A 66 -6.128 0.523 9.517 1.00 18.19 N ATOM 0 H HIS A 66 -1.607 1.706 9.736 1.00 17.42 H new ATOM 0 HA HIS A 66 -2.284 4.303 9.392 1.00 15.39 H new ATOM 0 HB2 HIS A 66 -4.415 4.142 8.675 1.00 16.99 H new ATOM 0 HB3 HIS A 66 -3.554 3.331 7.658 1.00 16.99 H new ATOM 0 HD2 HIS A 66 -5.655 2.190 10.672 1.00 17.10 H new ATOM 0 HE1 HIS A 66 -6.047 -0.514 7.759 1.00 18.75 H new ATOM 0 HE2 HIS A 66 -6.630 0.042 10.023 1.00 18.19 H new ATOM 521 N ILE A 67 -3.563 4.406 11.563 1.00 12.77 N ATOM 522 CA ILE A 67 -4.069 4.405 12.964 1.00 13.98 C ATOM 523 C ILE A 67 -5.519 4.756 12.814 1.00 13.39 C ATOM 524 O ILE A 67 -5.894 5.745 12.103 1.00 11.64 O ATOM 525 CB ILE A 67 -3.400 5.542 13.810 1.00 15.99 C ATOM 526 CG1 ILE A 67 -1.864 5.584 13.616 1.00 18.34 C ATOM 527 CG2 ILE A 67 -3.872 5.515 15.261 1.00 17.16 C ATOM 528 CD1 ILE A 67 -1.128 4.282 13.975 1.00 23.01 C ATOM 0 H ILE A 67 -3.650 5.160 11.159 1.00 12.77 H new ATOM 0 HA ILE A 67 -3.892 3.559 13.405 1.00 13.98 H new ATOM 0 HB ILE A 67 -3.705 6.397 13.469 1.00 15.99 H new ATOM 0 HG12 ILE A 67 -1.674 5.802 12.690 1.00 18.34 H new ATOM 0 HG13 ILE A 67 -1.503 6.304 14.157 1.00 18.34 H new ATOM 0 HG21 ILE A 67 -3.440 6.229 15.755 1.00 17.16 H new ATOM 0 HG22 ILE A 67 -4.834 5.637 15.291 1.00 17.16 H new ATOM 0 HG23 ILE A 67 -3.642 4.661 15.660 1.00 17.16 H new ATOM 0 HD11 ILE A 67 -0.177 4.396 13.825 1.00 23.01 H new ATOM 0 HD12 ILE A 67 -1.284 4.068 14.908 1.00 23.01 H new ATOM 0 HD13 ILE A 67 -1.458 3.559 13.419 1.00 23.01 H new ATOM 529 N ALA A 68 -6.340 4.005 13.520 1.00 13.01 N ATOM 530 CA ALA A 68 -7.776 4.145 13.450 1.00 12.40 C ATOM 531 C ALA A 68 -8.277 4.551 14.841 1.00 12.17 C ATOM 532 O ALA A 68 -7.753 4.070 15.814 1.00 13.15 O ATOM 533 CB ALA A 68 -8.368 2.803 13.017 1.00 12.13 C ATOM 0 H ALA A 68 -6.075 3.391 14.061 1.00 13.01 H new ATOM 0 HA ALA A 68 -8.043 4.822 12.809 1.00 12.40 H new ATOM 0 HB1 ALA A 68 -9.334 2.877 12.964 1.00 12.13 H new ATOM 0 HB2 ALA A 68 -8.015 2.559 12.147 1.00 12.13 H new ATOM 0 HB3 ALA A 68 -8.131 2.121 13.665 1.00 12.13 H new ATOM 534 N PHE A 69 -9.260 5.432 14.896 1.00 11.97 N ATOM 535 CA PHE A 69 -9.845 6.032 16.142 1.00 13.16 C ATOM 536 C PHE A 69 -11.316 5.674 16.149 1.00 13.62 C ATOM 537 O PHE A 69 -11.932 5.523 15.099 1.00 13.06 O ATOM 538 CB PHE A 69 -9.667 7.575 16.191 1.00 12.96 C ATOM 539 CG PHE A 69 -8.228 8.001 16.257 1.00 14.49 C ATOM 540 CD1 PHE A 69 -7.616 8.262 17.458 1.00 15.52 C ATOM 541 CD2 PHE A 69 -7.494 8.136 15.081 1.00 15.66 C ATOM 542 CE1 PHE A 69 -6.243 8.654 17.544 1.00 17.09 C ATOM 543 CE2 PHE A 69 -6.146 8.533 15.157 1.00 18.65 C ATOM 544 CZ PHE A 69 -5.515 8.777 16.382 1.00 17.58 C ATOM 0 H PHE A 69 -9.640 5.727 14.183 1.00 11.97 H new ATOM 0 HA PHE A 69 -9.386 5.682 16.921 1.00 13.16 H new ATOM 0 HB2 PHE A 69 -10.079 7.968 15.406 1.00 12.96 H new ATOM 0 HB3 PHE A 69 -10.138 7.925 16.963 1.00 12.96 H new ATOM 0 HD1 PHE A 69 -8.110 8.181 18.242 1.00 15.52 H new ATOM 0 HD2 PHE A 69 -7.889 7.966 14.257 1.00 15.66 H new ATOM 0 HE1 PHE A 69 -5.849 8.823 18.370 1.00 17.09 H new ATOM 0 HE2 PHE A 69 -5.661 8.636 14.370 1.00 18.65 H new ATOM 0 HZ PHE A 69 -4.617 9.019 16.411 1.00 17.58 H new ATOM 545 N THR A 70 -11.853 5.469 17.339 1.00 13.52 N ATOM 546 CA THR A 70 -13.289 5.157 17.581 1.00 15.34 C ATOM 547 C THR A 70 -14.054 6.454 17.845 1.00 14.73 C ATOM 548 O THR A 70 -13.609 7.302 18.618 1.00 14.00 O ATOM 549 CB THR A 70 -13.437 4.202 18.806 1.00 15.67 C ATOM 550 OG1 THR A 70 -12.680 2.999 18.556 1.00 16.62 O ATOM 551 CG2 THR A 70 -14.916 3.799 19.054 1.00 15.51 C ATOM 0 H THR A 70 -11.392 5.505 18.064 1.00 13.52 H new ATOM 0 HA THR A 70 -13.653 4.717 16.797 1.00 15.34 H new ATOM 0 HB THR A 70 -13.111 4.673 19.588 1.00 15.67 H new ATOM 0 HG1 THR A 70 -12.875 2.420 19.133 1.00 16.62 H new ATOM 0 HG21 THR A 70 -14.966 3.207 19.821 1.00 15.51 H new ATOM 0 HG22 THR A 70 -15.444 4.595 19.225 1.00 15.51 H new ATOM 0 HG23 THR A 70 -15.263 3.343 18.271 1.00 15.51 H new ATOM 552 N ILE A 71 -15.188 6.618 17.164 1.00 14.01 N ATOM 553 CA ILE A 71 -16.127 7.722 17.431 1.00 12.89 C ATOM 554 C ILE A 71 -17.541 7.183 17.739 1.00 13.41 C ATOM 555 O ILE A 71 -17.898 6.032 17.377 1.00 13.03 O ATOM 556 CB ILE A 71 -16.278 8.720 16.231 1.00 12.64 C ATOM 557 CG1 ILE A 71 -16.527 7.980 14.921 1.00 12.54 C ATOM 558 CG2 ILE A 71 -15.097 9.665 16.105 1.00 12.54 C ATOM 559 CD1 ILE A 71 -17.222 8.850 13.865 1.00 11.55 C ATOM 0 H ILE A 71 -15.440 6.093 16.531 1.00 14.01 H new ATOM 0 HA ILE A 71 -15.746 8.191 18.190 1.00 12.89 H new ATOM 0 HB ILE A 71 -17.056 9.266 16.424 1.00 12.64 H new ATOM 0 HG12 ILE A 71 -15.681 7.665 14.567 1.00 12.54 H new ATOM 0 HG13 ILE A 71 -17.071 7.196 15.096 1.00 12.54 H new ATOM 0 HG21 ILE A 71 -15.237 10.260 15.352 1.00 12.54 H new ATOM 0 HG22 ILE A 71 -15.012 10.188 16.918 1.00 12.54 H new ATOM 0 HG23 ILE A 71 -14.286 9.152 15.965 1.00 12.54 H new ATOM 0 HD11 ILE A 71 -17.355 8.332 13.056 1.00 11.55 H new ATOM 0 HD12 ILE A 71 -18.081 9.146 14.204 1.00 11.55 H new ATOM 0 HD13 ILE A 71 -16.669 9.622 13.667 1.00 11.55 H new ATOM 560 N ASP A 72 -18.286 7.970 18.511 1.00 13.51 N ATOM 561 CA ASP A 72 -19.733 7.751 18.730 1.00 15.28 C ATOM 562 C ASP A 72 -20.432 7.592 17.374 1.00 15.37 C ATOM 563 O ASP A 72 -20.247 8.435 16.466 1.00 16.23 O ATOM 564 CB ASP A 72 -20.230 9.015 19.460 1.00 16.02 C ATOM 565 CG ASP A 72 -21.706 8.976 19.845 1.00 17.68 C ATOM 566 OD1 ASP A 72 -22.019 9.855 20.670 1.00 18.71 O ATOM 567 OD2 ASP A 72 -22.562 8.190 19.322 1.00 17.20 O ATOM 0 H ASP A 72 -17.972 8.653 18.929 1.00 13.51 H new ATOM 0 HA ASP A 72 -19.918 6.951 19.247 1.00 15.28 H new ATOM 0 HB2 ASP A 72 -19.700 9.142 20.263 1.00 16.02 H new ATOM 0 HB3 ASP A 72 -20.075 9.786 18.892 1.00 16.02 H new ATOM 568 N ASP A 73 -21.250 6.567 17.235 1.00 13.83 N ATOM 569 CA ASP A 73 -21.931 6.355 15.955 1.00 15.86 C ATOM 570 C ASP A 73 -22.870 7.544 15.670 1.00 15.25 C ATOM 571 O ASP A 73 -23.042 7.914 14.514 1.00 15.89 O ATOM 572 CB ASP A 73 -22.718 5.019 15.920 1.00 16.60 C ATOM 573 CG ASP A 73 -23.389 4.792 14.589 1.00 16.42 C ATOM 574 OD1 ASP A 73 -24.591 5.015 14.520 1.00 16.73 O ATOM 575 OD2 ASP A 73 -22.690 4.496 13.568 1.00 18.44 O ATOM 0 H ASP A 73 -21.428 5.990 17.848 1.00 13.83 H new ATOM 0 HA ASP A 73 -21.254 6.298 15.263 1.00 15.86 H new ATOM 0 HB2 ASP A 73 -22.113 4.284 16.106 1.00 16.60 H new ATOM 0 HB3 ASP A 73 -23.387 5.020 16.622 1.00 16.60 H new ATOM 576 N SER A 74 -23.464 8.132 16.701 1.00 16.42 N ATOM 577 CA ASER A 74 -24.302 9.318 16.532 0.50 17.66 C ATOM 578 CA BSER A 74 -24.315 9.311 16.501 0.50 17.78 C ATOM 579 C SER A 74 -23.565 10.567 16.022 1.00 18.24 C ATOM 580 O SER A 74 -24.223 11.540 15.567 1.00 17.58 O ATOM 581 CB ASER A 74 -25.076 9.620 17.810 0.50 18.08 C ATOM 582 CB BSER A 74 -25.183 9.623 17.725 0.50 18.41 C ATOM 583 OG ASER A 74 -26.075 8.619 17.977 0.50 18.21 O ATOM 584 OG BSER A 74 -24.455 10.246 18.749 0.50 18.56 O ATOM 0 H ASER A 74 -23.395 7.859 17.514 0.50 16.42 H new ATOM 0 H BSER A 74 -23.392 7.872 17.518 0.50 16.42 H new ATOM 0 HA ASER A 74 -24.923 9.091 15.823 0.50 17.78 H new ATOM 0 HA BSER A 74 -24.901 9.058 15.771 0.50 17.78 H new ATOM 0 HB2ASER A 74 -24.477 9.630 18.573 0.50 18.41 H new ATOM 0 HB2BSER A 74 -25.919 10.196 17.459 0.50 18.41 H new ATOM 0 HB3ASER A 74 -25.484 10.499 17.758 0.50 18.41 H new ATOM 0 HB3BSER A 74 -25.571 8.800 18.062 0.50 18.41 H new ATOM 0 HG ASER A 74 -26.510 8.771 18.679 0.50 18.56 H new ATOM 0 HG BSER A 74 -24.963 10.402 19.400 0.50 18.56 H new ATOM 585 N GLU A 75 -22.220 10.517 16.093 1.00 17.18 N ATOM 586 CA GLU A 75 -21.343 11.590 15.605 1.00 16.64 C ATOM 587 C GLU A 75 -20.755 11.356 14.255 1.00 15.82 C ATOM 588 O GLU A 75 -19.853 12.094 13.872 1.00 13.14 O ATOM 589 CB GLU A 75 -20.223 11.805 16.613 1.00 20.95 C ATOM 590 CG GLU A 75 -20.840 12.221 17.919 1.00 22.00 C ATOM 591 CD GLU A 75 -21.073 13.714 17.985 1.00 31.65 C ATOM 592 OE1 GLU A 75 -22.263 14.160 17.965 1.00 39.28 O ATOM 593 OE2 GLU A 75 -20.055 14.444 18.036 1.00 29.27 O ATOM 0 H GLU A 75 -21.793 9.851 16.430 1.00 17.18 H new ATOM 0 HA GLU A 75 -21.904 12.375 15.511 1.00 16.64 H new ATOM 0 HB2 GLU A 75 -19.709 10.990 16.726 1.00 20.95 H new ATOM 0 HB3 GLU A 75 -19.609 12.486 16.297 1.00 20.95 H new ATOM 0 HG2 GLU A 75 -21.683 11.757 18.040 1.00 22.00 H new ATOM 0 HG3 GLU A 75 -20.261 11.952 18.649 1.00 22.00 H new ATOM 594 N PHE A 76 -21.217 10.324 13.527 1.00 14.25 N ATOM 595 CA PHE A 76 -20.566 10.053 12.270 1.00 17.20 C ATOM 596 C PHE A 76 -20.661 11.236 11.349 1.00 16.15 C ATOM 597 O PHE A 76 -19.669 11.620 10.672 1.00 17.19 O ATOM 598 CB PHE A 76 -21.130 8.777 11.611 1.00 17.33 C ATOM 599 CG PHE A 76 -20.509 8.443 10.278 1.00 20.67 C ATOM 600 CD1 PHE A 76 -19.345 7.700 10.204 1.00 22.80 C ATOM 601 CD2 PHE A 76 -21.120 8.852 9.097 1.00 20.63 C ATOM 602 CE1 PHE A 76 -18.794 7.366 8.987 1.00 23.71 C ATOM 603 CE2 PHE A 76 -20.551 8.579 7.860 1.00 23.49 C ATOM 604 CZ PHE A 76 -19.394 7.819 7.803 1.00 25.47 C ATOM 0 H PHE A 76 -21.869 9.805 13.740 1.00 14.25 H new ATOM 0 HA PHE A 76 -19.626 9.894 12.449 1.00 17.20 H new ATOM 0 HB2 PHE A 76 -20.999 8.029 12.214 1.00 17.33 H new ATOM 0 HB3 PHE A 76 -22.087 8.882 11.493 1.00 17.33 H new ATOM 0 HD1 PHE A 76 -18.928 7.422 10.988 1.00 22.80 H new ATOM 0 HD2 PHE A 76 -21.924 9.317 9.137 1.00 20.63 H new ATOM 0 HE1 PHE A 76 -18.027 6.842 8.950 1.00 23.71 H new ATOM 0 HE2 PHE A 76 -20.941 8.902 7.080 1.00 23.49 H new ATOM 0 HZ PHE A 76 -19.015 7.609 6.980 1.00 25.47 H new ATOM 605 N LYS A 77 -21.882 11.746 11.216 1.00 17.40 N ATOM 606 CA LYS A 77 -22.143 12.833 10.288 1.00 17.89 C ATOM 607 C LYS A 77 -21.385 14.083 10.728 1.00 15.78 C ATOM 608 O LYS A 77 -20.768 14.745 9.893 1.00 16.54 O ATOM 609 CB LYS A 77 -23.631 13.136 10.122 1.00 21.85 C ATOM 610 CG LYS A 77 -24.278 12.265 9.057 1.00 30.50 C ATOM 611 CD LYS A 77 -25.799 12.289 9.193 1.00 32.06 C ATOM 612 CE LYS A 77 -26.483 11.834 7.905 1.00 41.02 C ATOM 613 NZ LYS A 77 -26.810 10.379 7.941 1.00 43.32 N ATOM 0 H LYS A 77 -22.570 11.475 11.655 1.00 17.40 H new ATOM 0 HA LYS A 77 -21.826 12.547 9.417 1.00 17.89 H new ATOM 0 HB2 LYS A 77 -24.084 12.999 10.969 1.00 21.85 H new ATOM 0 HB3 LYS A 77 -23.745 14.070 9.887 1.00 21.85 H new ATOM 0 HG2 LYS A 77 -24.022 12.579 8.176 1.00 30.50 H new ATOM 0 HG3 LYS A 77 -23.956 11.354 9.138 1.00 30.50 H new ATOM 0 HD2 LYS A 77 -26.069 11.713 9.925 1.00 32.06 H new ATOM 0 HD3 LYS A 77 -26.091 13.187 9.416 1.00 32.06 H new ATOM 0 HE2 LYS A 77 -27.296 12.346 7.771 1.00 41.02 H new ATOM 0 HE3 LYS A 77 -25.905 12.018 7.148 1.00 41.02 H new ATOM 0 HZ1 LYS A 77 -27.206 10.145 7.179 1.00 43.32 H new ATOM 0 HZ2 LYS A 77 -26.061 9.909 8.042 1.00 43.32 H new ATOM 0 HZ3 LYS A 77 -27.358 10.214 8.623 1.00 43.32 H new ATOM 614 N TYR A 78 -21.331 14.319 12.028 1.00 15.77 N ATOM 615 CA TYR A 78 -20.606 15.475 12.562 1.00 16.08 C ATOM 616 C TYR A 78 -19.169 15.414 12.070 1.00 14.65 C ATOM 617 O TYR A 78 -18.602 16.437 11.678 1.00 15.55 O ATOM 618 CB TYR A 78 -20.624 15.491 14.077 1.00 14.88 C ATOM 619 CG TYR A 78 -19.623 16.452 14.673 1.00 18.18 C ATOM 620 CD1 TYR A 78 -18.301 16.065 14.941 1.00 17.22 C ATOM 621 CD2 TYR A 78 -19.990 17.772 14.953 1.00 17.07 C ATOM 622 CE1 TYR A 78 -17.407 16.972 15.466 1.00 19.55 C ATOM 623 CE2 TYR A 78 -19.072 18.680 15.443 1.00 19.44 C ATOM 624 CZ TYR A 78 -17.797 18.266 15.701 1.00 19.60 C ATOM 625 OH TYR A 78 -16.941 19.173 16.249 1.00 18.39 O ATOM 0 H TYR A 78 -21.706 13.825 12.624 1.00 15.77 H new ATOM 0 HA TYR A 78 -21.040 16.285 12.253 1.00 16.08 H new ATOM 0 HB2 TYR A 78 -21.514 15.729 14.382 1.00 14.88 H new ATOM 0 HB3 TYR A 78 -20.441 14.597 14.406 1.00 14.88 H new ATOM 0 HD1 TYR A 78 -18.028 15.194 14.764 1.00 17.22 H new ATOM 0 HD2 TYR A 78 -20.867 18.043 14.807 1.00 17.07 H new ATOM 0 HE1 TYR A 78 -16.537 16.707 15.661 1.00 19.55 H new ATOM 0 HE2 TYR A 78 -19.320 19.563 15.595 1.00 19.44 H new ATOM 0 HH TYR A 78 -17.329 19.914 16.327 1.00 18.39 H new ATOM 626 N TRP A 79 -18.546 14.249 12.193 1.00 13.88 N ATOM 627 CA TRP A 79 -17.107 14.147 11.904 1.00 13.20 C ATOM 628 C TRP A 79 -16.907 14.179 10.442 1.00 14.73 C ATOM 629 O TRP A 79 -15.919 14.729 9.929 1.00 12.13 O ATOM 630 CB TRP A 79 -16.519 12.845 12.466 1.00 13.36 C ATOM 631 CG TRP A 79 -16.265 13.074 13.934 1.00 13.97 C ATOM 632 CD1 TRP A 79 -16.997 12.672 15.010 1.00 14.59 C ATOM 633 CD2 TRP A 79 -15.217 13.918 14.484 1.00 14.27 C ATOM 634 NE1 TRP A 79 -16.482 13.195 16.167 1.00 14.11 N ATOM 635 CE2 TRP A 79 -15.420 13.939 15.913 1.00 13.91 C ATOM 636 CE3 TRP A 79 -14.185 14.650 13.926 1.00 13.70 C ATOM 637 CZ2 TRP A 79 -14.555 14.634 16.787 1.00 15.21 C ATOM 638 CZ3 TRP A 79 -13.300 15.357 14.821 1.00 14.49 C ATOM 639 CH2 TRP A 79 -13.506 15.341 16.207 1.00 14.77 C ATOM 0 H TRP A 79 -18.923 13.515 12.437 1.00 13.88 H new ATOM 0 HA TRP A 79 -16.654 14.894 12.326 1.00 13.20 H new ATOM 0 HB2 TRP A 79 -17.134 12.106 12.335 1.00 13.36 H new ATOM 0 HB3 TRP A 79 -15.696 12.614 12.007 1.00 13.36 H new ATOM 0 HD1 TRP A 79 -17.743 12.119 14.966 1.00 14.59 H new ATOM 0 HE1 TRP A 79 -16.806 13.058 16.952 1.00 14.11 H new ATOM 0 HE3 TRP A 79 -14.065 14.686 13.004 1.00 13.70 H new ATOM 0 HZ2 TRP A 79 -14.681 14.620 17.708 1.00 15.21 H new ATOM 0 HZ3 TRP A 79 -12.580 15.831 14.472 1.00 14.49 H new ATOM 0 HH2 TRP A 79 -12.925 15.817 16.755 1.00 14.77 H new ATOM 640 N HIS A 80 -17.817 13.512 9.712 1.00 15.03 N ATOM 641 CA HIS A 80 -17.636 13.456 8.243 1.00 16.54 C ATOM 642 C HIS A 80 -17.692 14.845 7.610 1.00 16.02 C ATOM 643 O HIS A 80 -16.833 15.220 6.829 1.00 15.70 O ATOM 644 CB HIS A 80 -18.677 12.522 7.610 1.00 19.12 C ATOM 645 CG HIS A 80 -18.554 12.420 6.103 1.00 25.66 C ATOM 646 ND1 HIS A 80 -17.601 11.678 5.505 1.00 27.93 N ATOM 647 CD2 HIS A 80 -19.301 12.994 5.092 1.00 27.14 C ATOM 648 CE1 HIS A 80 -17.750 11.753 4.164 1.00 27.53 C ATOM 649 NE2 HIS A 80 -18.799 12.545 3.915 1.00 32.31 N ATOM 0 H HIS A 80 -18.509 13.106 10.022 1.00 15.03 H new ATOM 0 HA HIS A 80 -16.752 13.098 8.069 1.00 16.54 H new ATOM 0 HB2 HIS A 80 -18.585 11.637 7.996 1.00 19.12 H new ATOM 0 HB3 HIS A 80 -19.566 12.839 7.835 1.00 19.12 H new ATOM 0 HD1 HIS A 80 -16.993 11.227 5.913 1.00 27.93 H new ATOM 0 HD2 HIS A 80 -20.015 13.580 5.199 1.00 27.14 H new ATOM 0 HE1 HIS A 80 -17.219 11.330 3.528 1.00 27.53 H new ATOM 650 N GLN A 81 -18.687 15.621 8.026 1.00 18.01 N ATOM 651 CA GLN A 81 -18.826 17.035 7.668 1.00 18.54 C ATOM 652 C GLN A 81 -17.666 17.894 8.193 1.00 16.27 C ATOM 653 O GLN A 81 -17.164 18.712 7.456 1.00 17.59 O ATOM 654 CB GLN A 81 -20.229 17.589 8.088 1.00 22.19 C ATOM 655 CG GLN A 81 -21.300 17.382 6.988 1.00 32.57 C ATOM 656 CD GLN A 81 -22.776 17.230 7.498 1.00 36.01 C ATOM 657 OE1 GLN A 81 -23.593 16.607 6.824 1.00 38.96 O ATOM 658 NE2 GLN A 81 -23.104 17.797 8.688 1.00 35.57 N ATOM 0 H GLN A 81 -19.317 15.336 8.537 1.00 18.01 H new ATOM 0 HA GLN A 81 -18.774 17.094 6.701 1.00 18.54 H new ATOM 0 HB2 GLN A 81 -20.517 17.149 8.903 1.00 22.19 H new ATOM 0 HB3 GLN A 81 -20.153 18.535 8.288 1.00 22.19 H new ATOM 0 HG2 GLN A 81 -21.262 18.134 6.377 1.00 32.57 H new ATOM 0 HG3 GLN A 81 -21.068 16.590 6.478 1.00 32.57 H new ATOM 0 HE21 GLN A 81 -22.510 18.227 9.138 1.00 35.57 H new ATOM 0 HE22 GLN A 81 -23.905 17.726 8.992 1.00 35.57 H new ATOM 659 N ARG A 82 -17.220 17.707 9.440 1.00 16.25 N ATOM 660 CA ARG A 82 -16.103 18.505 9.953 1.00 14.21 C ATOM 661 C ARG A 82 -14.877 18.334 9.047 1.00 15.51 C ATOM 662 O ARG A 82 -14.251 19.330 8.663 1.00 15.35 O ATOM 663 CB ARG A 82 -15.773 18.125 11.375 1.00 14.71 C ATOM 664 CG ARG A 82 -14.776 19.104 12.043 1.00 13.40 C ATOM 665 CD ARG A 82 -14.715 18.793 13.506 1.00 15.28 C ATOM 666 NE ARG A 82 -13.770 19.732 14.146 1.00 15.30 N ATOM 667 CZ ARG A 82 -14.132 20.907 14.711 1.00 15.09 C ATOM 668 NH1 ARG A 82 -15.419 21.263 14.763 1.00 14.67 N ATOM 669 NH2 ARG A 82 -13.210 21.700 15.275 1.00 13.23 N ATOM 0 H ARG A 82 -17.544 17.135 9.994 1.00 16.25 H new ATOM 0 HA ARG A 82 -16.366 19.439 9.951 1.00 14.21 H new ATOM 0 HB2 ARG A 82 -16.591 18.098 11.896 1.00 14.71 H new ATOM 0 HB3 ARG A 82 -15.399 17.230 11.388 1.00 14.71 H new ATOM 0 HG2 ARG A 82 -13.897 19.016 11.642 1.00 13.40 H new ATOM 0 HG3 ARG A 82 -15.060 20.021 11.905 1.00 13.40 H new ATOM 0 HD2 ARG A 82 -15.595 18.876 13.905 1.00 15.28 H new ATOM 0 HD3 ARG A 82 -14.426 17.877 13.644 1.00 15.28 H new ATOM 0 HE ARG A 82 -12.937 19.518 14.160 1.00 15.30 H new ATOM 0 HH11 ARG A 82 -16.022 20.744 14.436 1.00 14.67 H new ATOM 0 HH12 ARG A 82 -15.644 22.011 15.123 1.00 14.67 H new ATOM 0 HH21 ARG A 82 -12.383 21.463 15.279 1.00 13.23 H new ATOM 0 HH22 ARG A 82 -13.445 22.446 15.633 1.00 13.23 H new ATOM 670 N LEU A 83 -14.543 17.078 8.715 1.00 14.74 N ATOM 671 CA LEU A 83 -13.387 16.822 7.878 1.00 16.56 C ATOM 672 C LEU A 83 -13.545 17.374 6.490 1.00 17.46 C ATOM 673 O LEU A 83 -12.571 17.876 5.927 1.00 19.51 O ATOM 674 CB LEU A 83 -12.966 15.332 7.816 1.00 15.76 C ATOM 675 CG LEU A 83 -12.579 14.534 9.041 1.00 18.81 C ATOM 676 CD1 LEU A 83 -12.241 13.082 8.653 1.00 19.35 C ATOM 677 CD2 LEU A 83 -11.407 15.228 9.740 1.00 17.82 C ATOM 0 H LEU A 83 -14.973 16.376 8.965 1.00 14.74 H new ATOM 0 HA LEU A 83 -12.667 17.299 8.320 1.00 16.56 H new ATOM 0 HB2 LEU A 83 -13.700 14.856 7.398 1.00 15.76 H new ATOM 0 HB3 LEU A 83 -12.213 15.284 7.207 1.00 15.76 H new ATOM 0 HG LEU A 83 -13.325 14.495 9.660 1.00 18.81 H new ATOM 0 HD11 LEU A 83 -11.995 12.583 9.448 1.00 19.35 H new ATOM 0 HD12 LEU A 83 -13.015 12.669 8.239 1.00 19.35 H new ATOM 0 HD13 LEU A 83 -11.500 13.078 8.027 1.00 19.35 H new ATOM 0 HD21 LEU A 83 -11.153 14.721 10.527 1.00 17.82 H new ATOM 0 HD22 LEU A 83 -10.653 15.280 9.133 1.00 17.82 H new ATOM 0 HD23 LEU A 83 -11.671 16.123 10.004 1.00 17.82 H new ATOM 678 N LYS A 84 -14.755 17.263 5.930 1.00 19.55 N ATOM 679 CA LYS A 84 -15.007 17.802 4.568 1.00 20.53 C ATOM 680 C LYS A 84 -14.896 19.308 4.508 1.00 19.13 C ATOM 681 O LYS A 84 -14.289 19.833 3.583 1.00 19.42 O ATOM 682 CB LYS A 84 -16.417 17.437 4.115 1.00 24.02 C ATOM 683 CG LYS A 84 -16.503 16.095 3.453 1.00 29.76 C ATOM 684 CD LYS A 84 -17.980 15.789 3.178 1.00 35.50 C ATOM 685 CE LYS A 84 -18.122 14.855 1.991 1.00 44.09 C ATOM 686 NZ LYS A 84 -17.735 15.552 0.728 1.00 44.74 N ATOM 0 H LYS A 84 -15.434 16.890 6.304 1.00 19.55 H new ATOM 0 HA LYS A 84 -14.331 17.411 3.993 1.00 20.53 H new ATOM 0 HB2 LYS A 84 -17.009 17.449 4.883 1.00 24.02 H new ATOM 0 HB3 LYS A 84 -16.737 18.115 3.499 1.00 24.02 H new ATOM 0 HG2 LYS A 84 -15.998 16.093 2.625 1.00 29.76 H new ATOM 0 HG3 LYS A 84 -16.116 15.412 4.023 1.00 29.76 H new ATOM 0 HD2 LYS A 84 -18.383 15.386 3.963 1.00 35.50 H new ATOM 0 HD3 LYS A 84 -18.459 16.614 3.005 1.00 35.50 H new ATOM 0 HE2 LYS A 84 -17.563 14.073 2.119 1.00 44.09 H new ATOM 0 HE3 LYS A 84 -19.038 14.542 1.927 1.00 44.09 H new ATOM 0 HZ1 LYS A 84 -18.154 15.174 0.040 1.00 44.74 H new ATOM 0 HZ2 LYS A 84 -17.965 16.410 0.780 1.00 44.74 H new ATOM 0 HZ3 LYS A 84 -16.855 15.487 0.611 1.00 44.74 H new ATOM 687 N ASP A 85 -15.528 19.981 5.467 1.00 18.42 N ATOM 688 CA ASP A 85 -15.526 21.449 5.583 1.00 20.71 C ATOM 689 C ASP A 85 -14.176 22.000 5.958 1.00 24.05 C ATOM 690 O ASP A 85 -13.979 23.224 5.917 1.00 25.51 O ATOM 691 CB ASP A 85 -16.514 21.940 6.651 1.00 20.90 C ATOM 692 CG ASP A 85 -17.924 21.725 6.224 1.00 20.16 C ATOM 693 OD1 ASP A 85 -18.826 21.897 7.000 1.00 22.89 O ATOM 694 OD2 ASP A 85 -18.085 21.245 5.101 1.00 22.55 O ATOM 0 H ASP A 85 -15.982 19.592 6.085 1.00 18.42 H new ATOM 0 HA ASP A 85 -15.782 21.765 4.703 1.00 20.71 H new ATOM 0 HB2 ASP A 85 -16.351 21.472 7.485 1.00 20.90 H new ATOM 0 HB3 ASP A 85 -16.366 22.883 6.822 1.00 20.90 H new ATOM 695 N ASN A 86 -13.268 21.112 6.364 1.00 21.90 N ATOM 696 CA ASN A 86 -11.902 21.558 6.612 1.00 19.48 C ATOM 697 C ASN A 86 -10.899 21.100 5.578 1.00 20.43 C ATOM 698 O ASN A 86 -9.699 21.072 5.886 1.00 19.18 O ATOM 699 CB ASN A 86 -11.501 21.216 8.046 1.00 18.25 C ATOM 700 CG ASN A 86 -12.082 22.195 9.018 1.00 19.11 C ATOM 701 OD1 ASN A 86 -11.548 23.300 9.135 1.00 19.03 O ATOM 702 ND2 ASN A 86 -13.234 21.888 9.599 1.00 17.80 N ATOM 0 H ASN A 86 -13.416 20.275 6.498 1.00 21.90 H new ATOM 0 HA ASN A 86 -11.890 22.523 6.514 1.00 19.48 H new ATOM 0 HB2 ASN A 86 -11.804 20.321 8.265 1.00 18.25 H new ATOM 0 HB3 ASN A 86 -10.534 21.215 8.123 1.00 18.25 H new ATOM 0 HD21 ASN A 86 -13.641 22.472 10.082 1.00 17.80 H new ATOM 0 HD22 ASN A 86 -13.574 21.105 9.493 1.00 17.80 H new ATOM 703 N ASN A 87 -11.408 20.721 4.379 1.00 20.52 N ATOM 704 CA ASN A 87 -10.605 20.387 3.208 1.00 19.75 C ATOM 705 C ASN A 87 -9.631 19.224 3.494 1.00 21.75 C ATOM 706 O ASN A 87 -8.510 19.167 2.926 1.00 19.19 O ATOM 707 CB ASN A 87 -9.828 21.614 2.766 1.00 25.41 C ATOM 708 CG ASN A 87 -9.063 21.412 1.446 1.00 28.30 C ATOM 709 OD1 ASN A 87 -7.911 21.815 1.335 1.00 39.59 O ATOM 710 ND2 ASN A 87 -9.710 20.831 0.443 1.00 32.58 N ATOM 0 H ASN A 87 -12.254 20.654 4.237 1.00 20.52 H new ATOM 0 HA ASN A 87 -11.205 20.099 2.502 1.00 19.75 H new ATOM 0 HB2 ASN A 87 -10.442 22.358 2.665 1.00 25.41 H new ATOM 0 HB3 ASN A 87 -9.199 21.858 3.463 1.00 25.41 H new ATOM 0 HD21 ASN A 87 -9.321 20.727 -0.317 1.00 32.58 H new ATOM 0 HD22 ASN A 87 -10.518 20.559 0.553 1.00 32.58 H new ATOM 711 N VAL A 88 -10.037 18.309 4.380 1.00 20.89 N ATOM 712 CA VAL A 88 -9.202 17.135 4.724 1.00 19.79 C ATOM 713 C VAL A 88 -9.199 16.174 3.529 1.00 20.55 C ATOM 714 O VAL A 88 -10.246 15.964 2.915 1.00 22.45 O ATOM 715 CB VAL A 88 -9.714 16.432 6.006 1.00 17.40 C ATOM 716 CG1 VAL A 88 -9.007 15.105 6.305 1.00 16.62 C ATOM 717 CG2 VAL A 88 -9.576 17.368 7.227 1.00 15.35 C ATOM 0 H VAL A 88 -10.789 18.344 4.795 1.00 20.89 H new ATOM 0 HA VAL A 88 -8.296 17.427 4.911 1.00 19.79 H new ATOM 0 HB VAL A 88 -10.647 16.226 5.839 1.00 17.40 H new ATOM 0 HG11 VAL A 88 -9.373 14.719 7.116 1.00 16.62 H new ATOM 0 HG12 VAL A 88 -9.143 14.492 5.566 1.00 16.62 H new ATOM 0 HG13 VAL A 88 -8.057 15.263 6.422 1.00 16.62 H new ATOM 0 HG21 VAL A 88 -9.900 16.915 8.021 1.00 15.35 H new ATOM 0 HG22 VAL A 88 -8.644 17.606 7.349 1.00 15.35 H new ATOM 0 HG23 VAL A 88 -10.098 18.172 7.079 1.00 15.35 H new ATOM 718 N ASN A 89 -8.037 15.591 3.221 1.00 21.74 N ATOM 719 CA ASN A 89 -7.927 14.512 2.225 1.00 26.33 C ATOM 720 C ASN A 89 -8.704 13.249 2.673 1.00 25.12 C ATOM 721 O ASN A 89 -8.136 12.442 3.427 1.00 27.88 O ATOM 722 CB ASN A 89 -6.433 14.151 2.097 1.00 29.13 C ATOM 723 CG ASN A 89 -6.158 13.047 1.078 1.00 31.51 C ATOM 724 OD1 ASN A 89 -7.010 12.676 0.286 1.00 32.98 O ATOM 725 ND2 ASN A 89 -4.955 12.510 1.118 1.00 33.41 N ATOM 0 H ASN A 89 -7.288 15.809 3.583 1.00 21.74 H new ATOM 0 HA ASN A 89 -8.301 14.814 1.383 1.00 26.33 H new ATOM 0 HB2 ASN A 89 -5.936 14.945 1.845 1.00 29.13 H new ATOM 0 HB3 ASN A 89 -6.100 13.871 2.964 1.00 29.13 H new ATOM 0 HD21 ASN A 89 -4.749 11.876 0.574 1.00 33.41 H new ATOM 0 HD22 ASN A 89 -4.376 12.793 1.688 1.00 33.41 H new ATOM 726 N ILE A 90 -9.944 13.067 2.214 1.00 26.24 N ATOM 727 CA ILE A 90 -10.743 11.842 2.515 1.00 26.95 C ATOM 728 C ILE A 90 -10.703 10.808 1.398 1.00 32.50 C ATOM 729 O ILE A 90 -10.816 11.173 0.204 1.00 32.68 O ATOM 730 CB ILE A 90 -12.211 12.186 2.855 1.00 27.58 C ATOM 731 CG1 ILE A 90 -12.276 13.096 4.088 1.00 23.54 C ATOM 732 CG2 ILE A 90 -13.088 10.932 3.114 1.00 27.80 C ATOM 733 CD1 ILE A 90 -13.412 14.088 3.983 1.00 24.26 C ATOM 0 H ILE A 90 -10.355 13.639 1.721 1.00 26.24 H new ATOM 0 HA ILE A 90 -10.320 11.446 3.293 1.00 26.95 H new ATOM 0 HB ILE A 90 -12.567 12.640 2.075 1.00 27.58 H new ATOM 0 HG12 ILE A 90 -12.389 12.555 4.885 1.00 23.54 H new ATOM 0 HG13 ILE A 90 -11.437 13.572 4.185 1.00 23.54 H new ATOM 0 HG21 ILE A 90 -13.994 11.208 3.322 1.00 27.80 H new ATOM 0 HG22 ILE A 90 -13.094 10.372 2.322 1.00 27.80 H new ATOM 0 HG23 ILE A 90 -12.724 10.431 3.861 1.00 27.80 H new ATOM 0 HD11 ILE A 90 -13.427 14.648 4.775 1.00 24.26 H new ATOM 0 HD12 ILE A 90 -13.286 14.643 3.198 1.00 24.26 H new ATOM 0 HD13 ILE A 90 -14.253 13.610 3.909 1.00 24.26 H new ATOM 734 N LEU A 91 -10.528 9.524 1.749 1.00 31.73 N ATOM 735 CA LEU A 91 -10.320 8.506 0.711 1.00 33.56 C ATOM 736 C LEU A 91 -11.597 7.740 0.406 1.00 36.87 C ATOM 737 O LEU A 91 -12.658 8.037 0.961 1.00 36.04 O ATOM 738 CB LEU A 91 -9.170 7.539 1.054 1.00 35.53 C ATOM 739 CG LEU A 91 -7.672 7.963 1.065 1.00 38.73 C ATOM 740 CD1 LEU A 91 -7.319 9.188 0.207 1.00 42.83 C ATOM 741 CD2 LEU A 91 -7.042 8.096 2.450 1.00 34.98 C ATOM 0 H LEU A 91 -10.526 9.230 2.557 1.00 31.73 H new ATOM 0 HA LEU A 91 -10.061 8.988 -0.090 1.00 33.56 H new ATOM 0 HB2 LEU A 91 -9.362 7.187 1.937 1.00 35.53 H new ATOM 0 HB3 LEU A 91 -9.241 6.798 0.432 1.00 35.53 H new ATOM 0 HG LEU A 91 -7.269 7.192 0.635 1.00 38.73 H new ATOM 0 HD11 LEU A 91 -6.369 9.371 0.279 1.00 42.83 H new ATOM 0 HD12 LEU A 91 -7.544 9.010 -0.720 1.00 42.83 H new ATOM 0 HD13 LEU A 91 -7.821 9.957 0.519 1.00 42.83 H new ATOM 0 HD21 LEU A 91 -6.114 8.362 2.359 1.00 34.98 H new ATOM 0 HD22 LEU A 91 -7.522 8.767 2.961 1.00 34.98 H new ATOM 0 HD23 LEU A 91 -7.090 7.244 2.911 1.00 34.98 H new ATOM 742 N GLN A 102 -20.564 4.150 9.850 1.00 42.05 N ATOM 743 CA GLN A 102 -19.586 3.062 9.725 1.00 35.79 C ATOM 744 C GLN A 102 -18.091 3.554 9.742 1.00 31.24 C ATOM 745 O GLN A 102 -17.478 3.553 10.816 1.00 24.91 O ATOM 746 CB GLN A 102 -19.920 2.247 8.489 1.00 45.51 C ATOM 747 CG GLN A 102 -19.637 0.752 8.548 1.00 47.07 C ATOM 748 CD GLN A 102 -19.740 0.127 7.155 1.00 55.17 C ATOM 749 OE1 GLN A 102 -19.033 -0.840 6.827 1.00 53.97 O ATOM 750 NE2 GLN A 102 -20.609 0.700 6.315 1.00 51.88 N ATOM 0 HA GLN A 102 -19.656 2.497 10.511 1.00 35.79 H new ATOM 0 HB2 GLN A 102 -20.863 2.368 8.294 1.00 45.51 H new ATOM 0 HB3 GLN A 102 -19.426 2.618 7.741 1.00 45.51 H new ATOM 0 HG2 GLN A 102 -18.750 0.600 8.911 1.00 47.07 H new ATOM 0 HG3 GLN A 102 -20.267 0.322 9.148 1.00 47.07 H new ATOM 0 HE21 GLN A 102 -21.083 1.368 6.576 1.00 51.88 H new ATOM 0 HE22 GLN A 102 -20.694 0.400 5.514 1.00 51.88 H new ATOM 751 N SER A 103 -17.520 4.001 8.606 1.00 24.66 N ATOM 752 CA SER A 103 -16.064 4.327 8.546 1.00 20.12 C ATOM 753 C SER A 103 -15.657 5.537 7.707 1.00 20.96 C ATOM 754 O SER A 103 -16.240 5.757 6.642 1.00 20.37 O ATOM 755 CB SER A 103 -15.249 3.138 8.042 1.00 20.09 C ATOM 756 OG SER A 103 -15.589 1.992 8.780 1.00 21.11 O ATOM 0 H SER A 103 -17.945 4.123 7.868 1.00 24.66 H new ATOM 0 HA SER A 103 -15.871 4.552 9.470 1.00 20.12 H new ATOM 0 HB2 SER A 103 -15.422 2.991 7.099 1.00 20.09 H new ATOM 0 HB3 SER A 103 -14.301 3.322 8.131 1.00 20.09 H new ATOM 0 HG SER A 103 -15.121 1.958 9.477 1.00 21.11 H new ATOM 757 N ILE A 104 -14.639 6.302 8.177 1.00 16.08 N ATOM 758 CA ILE A 104 -14.053 7.400 7.404 1.00 17.40 C ATOM 759 C ILE A 104 -12.553 7.157 7.291 1.00 16.55 C ATOM 760 O ILE A 104 -11.907 6.913 8.291 1.00 16.45 O ATOM 761 CB ILE A 104 -14.335 8.827 8.037 1.00 17.66 C ATOM 762 CG1 ILE A 104 -15.845 9.082 8.151 1.00 18.50 C ATOM 763 CG2 ILE A 104 -13.702 9.930 7.169 1.00 16.21 C ATOM 764 CD1 ILE A 104 -16.242 10.080 9.244 1.00 22.97 C ATOM 0 H ILE A 104 -14.280 6.189 8.950 1.00 16.08 H new ATOM 0 HA ILE A 104 -14.471 7.410 6.529 1.00 17.40 H new ATOM 0 HB ILE A 104 -13.941 8.844 8.923 1.00 17.66 H new ATOM 0 HG12 ILE A 104 -16.171 9.408 7.298 1.00 18.50 H new ATOM 0 HG13 ILE A 104 -16.292 8.238 8.322 1.00 18.50 H new ATOM 0 HG21 ILE A 104 -13.881 10.797 7.566 1.00 16.21 H new ATOM 0 HG22 ILE A 104 -12.744 9.791 7.116 1.00 16.21 H new ATOM 0 HG23 ILE A 104 -14.082 9.898 6.277 1.00 16.21 H new ATOM 0 HD11 ILE A 104 -17.206 10.186 9.251 1.00 22.97 H new ATOM 0 HD12 ILE A 104 -15.947 9.750 10.107 1.00 22.97 H new ATOM 0 HD13 ILE A 104 -15.825 10.937 9.067 1.00 22.97 H new ATOM 765 N TYR A 105 -12.045 7.146 6.065 1.00 16.42 N ATOM 766 CA TYR A 105 -10.604 6.943 5.768 1.00 18.74 C ATOM 767 C TYR A 105 -10.014 8.234 5.203 1.00 17.70 C ATOM 768 O TYR A 105 -10.550 8.779 4.265 1.00 17.07 O ATOM 769 CB TYR A 105 -10.445 5.873 4.707 1.00 17.60 C ATOM 770 CG TYR A 105 -11.148 4.572 5.096 1.00 17.62 C ATOM 771 CD1 TYR A 105 -10.441 3.562 5.751 1.00 18.98 C ATOM 772 CD2 TYR A 105 -12.516 4.340 4.786 1.00 19.15 C ATOM 773 CE1 TYR A 105 -11.075 2.355 6.133 1.00 18.12 C ATOM 774 CE2 TYR A 105 -13.156 3.117 5.138 1.00 17.30 C ATOM 775 CZ TYR A 105 -12.399 2.136 5.819 1.00 18.93 C ATOM 776 OH TYR A 105 -12.911 0.889 6.231 1.00 20.68 O ATOM 0 H TYR A 105 -12.526 7.257 5.361 1.00 16.42 H new ATOM 0 HA TYR A 105 -10.153 6.684 6.587 1.00 18.74 H new ATOM 0 HB2 TYR A 105 -10.806 6.196 3.867 1.00 17.60 H new ATOM 0 HB3 TYR A 105 -9.502 5.699 4.563 1.00 17.60 H new ATOM 0 HD1 TYR A 105 -9.539 3.684 5.940 1.00 18.98 H new ATOM 0 HD2 TYR A 105 -13.002 4.999 4.345 1.00 19.15 H new ATOM 0 HE1 TYR A 105 -10.596 1.707 6.598 1.00 18.12 H new ATOM 0 HE2 TYR A 105 -14.049 2.968 4.925 1.00 17.30 H new ATOM 0 HH TYR A 105 -12.510 0.636 6.924 1.00 20.68 H new ATOM 777 N PHE A 106 -8.919 8.720 5.794 1.00 16.47 N ATOM 778 CA PHE A 106 -8.447 10.058 5.502 1.00 14.47 C ATOM 779 C PHE A 106 -6.962 10.160 5.776 1.00 16.74 C ATOM 780 O PHE A 106 -6.365 9.236 6.348 1.00 14.32 O ATOM 781 CB PHE A 106 -9.287 11.144 6.246 1.00 13.73 C ATOM 782 CG PHE A 106 -9.211 11.123 7.763 1.00 13.04 C ATOM 783 CD1 PHE A 106 -8.489 12.126 8.442 1.00 11.86 C ATOM 784 CD2 PHE A 106 -9.835 10.122 8.528 1.00 11.82 C ATOM 785 CE1 PHE A 106 -8.433 12.149 9.817 1.00 12.08 C ATOM 786 CE2 PHE A 106 -9.769 10.134 9.946 1.00 11.82 C ATOM 787 CZ PHE A 106 -9.100 11.153 10.584 1.00 12.96 C ATOM 0 H PHE A 106 -8.443 8.286 6.364 1.00 16.47 H new ATOM 0 HA PHE A 106 -8.576 10.235 4.557 1.00 14.47 H new ATOM 0 HB2 PHE A 106 -8.999 12.017 5.938 1.00 13.73 H new ATOM 0 HB3 PHE A 106 -10.216 11.043 5.985 1.00 13.73 H new ATOM 0 HD1 PHE A 106 -8.044 12.781 7.954 1.00 11.86 H new ATOM 0 HD2 PHE A 106 -10.299 9.440 8.098 1.00 11.82 H new ATOM 0 HE1 PHE A 106 -7.956 12.821 10.248 1.00 12.08 H new ATOM 0 HE2 PHE A 106 -10.175 9.458 10.440 1.00 11.82 H new ATOM 0 HZ PHE A 106 -9.084 11.191 11.513 1.00 12.96 H new ATOM 788 N THR A 107 -6.314 11.251 5.352 1.00 16.51 N ATOM 789 CA THR A 107 -4.920 11.404 5.774 1.00 16.80 C ATOM 790 C THR A 107 -4.707 12.710 6.509 1.00 17.33 C ATOM 791 O THR A 107 -5.553 13.606 6.433 1.00 18.45 O ATOM 792 CB THR A 107 -3.894 11.317 4.622 1.00 19.75 C ATOM 793 OG1 THR A 107 -3.959 12.519 3.853 1.00 23.88 O ATOM 794 CG2 THR A 107 -4.121 10.043 3.685 1.00 20.22 C ATOM 0 H THR A 107 -6.636 11.874 4.854 1.00 16.51 H new ATOM 0 HA THR A 107 -4.762 10.650 6.363 1.00 16.80 H new ATOM 0 HB THR A 107 -3.013 11.213 5.014 1.00 19.75 H new ATOM 0 HG1 THR A 107 -3.469 13.104 4.205 1.00 23.88 H new ATOM 0 HG21 THR A 107 -3.454 10.036 2.981 1.00 20.22 H new ATOM 0 HG22 THR A 107 -4.041 9.234 4.214 1.00 20.22 H new ATOM 0 HG23 THR A 107 -5.006 10.085 3.290 1.00 20.22 H new ATOM 795 N ASP A 108 -3.615 12.794 7.274 1.00 17.37 N ATOM 796 CA ASP A 108 -3.207 14.097 7.786 1.00 17.16 C ATOM 797 C ASP A 108 -2.508 14.919 6.669 1.00 18.12 C ATOM 798 O ASP A 108 -2.472 14.480 5.533 1.00 16.66 O ATOM 799 CB ASP A 108 -2.456 14.005 9.139 1.00 15.40 C ATOM 800 CG ASP A 108 -1.007 13.643 8.995 1.00 15.20 C ATOM 801 OD1 ASP A 108 -0.361 13.567 10.059 1.00 15.91 O ATOM 802 OD2 ASP A 108 -0.476 13.497 7.854 1.00 15.98 O ATOM 0 H ASP A 108 -3.115 12.132 7.500 1.00 17.37 H new ATOM 0 HA ASP A 108 -3.996 14.608 8.024 1.00 17.16 H new ATOM 0 HB2 ASP A 108 -2.525 14.857 9.598 1.00 15.40 H new ATOM 0 HB3 ASP A 108 -2.893 13.345 9.699 1.00 15.40 H new ATOM 803 N PRO A 109 -2.024 16.146 6.985 1.00 19.03 N ATOM 804 CA PRO A 109 -1.458 17.028 5.957 1.00 19.03 C ATOM 805 C PRO A 109 -0.221 16.416 5.240 1.00 18.51 C ATOM 806 O PRO A 109 0.057 16.748 4.048 1.00 20.92 O ATOM 807 CB PRO A 109 -1.048 18.261 6.765 1.00 17.41 C ATOM 808 CG PRO A 109 -2.110 18.325 7.870 1.00 17.61 C ATOM 809 CD PRO A 109 -2.316 16.861 8.241 1.00 16.58 C ATOM 0 HA PRO A 109 -2.090 17.204 5.242 1.00 19.03 H new ATOM 0 HB2 PRO A 109 -0.155 18.168 7.131 1.00 17.41 H new ATOM 0 HB3 PRO A 109 -1.049 19.063 6.220 1.00 17.41 H new ATOM 0 HG2 PRO A 109 -1.806 18.848 8.629 1.00 17.61 H new ATOM 0 HG3 PRO A 109 -2.931 18.734 7.554 1.00 17.61 H new ATOM 0 HD2 PRO A 109 -1.721 16.586 8.956 1.00 16.58 H new ATOM 0 HD3 PRO A 109 -3.221 16.693 8.546 1.00 16.58 H new ATOM 810 N ASP A 110 0.502 15.538 5.946 1.00 18.07 N ATOM 811 CA ASP A 110 1.645 14.796 5.393 1.00 16.64 C ATOM 812 C ASP A 110 1.325 13.453 4.738 1.00 18.98 C ATOM 813 O ASP A 110 2.215 12.841 4.225 1.00 19.41 O ATOM 814 CB ASP A 110 2.692 14.582 6.456 1.00 17.17 C ATOM 815 CG ASP A 110 3.201 15.887 6.976 1.00 18.05 C ATOM 816 OD1 ASP A 110 4.091 16.411 6.361 1.00 19.01 O ATOM 817 OD2 ASP A 110 2.654 16.431 7.956 1.00 16.89 O ATOM 0 H ASP A 110 0.340 15.354 6.770 1.00 18.07 H new ATOM 0 HA ASP A 110 1.966 15.364 4.675 1.00 16.64 H new ATOM 0 HB2 ASP A 110 2.317 14.064 7.185 1.00 17.17 H new ATOM 0 HB3 ASP A 110 3.428 14.066 6.091 1.00 17.17 H new ATOM 818 N GLY A 111 0.059 13.072 4.680 1.00 17.45 N ATOM 819 CA GLY A 111 -0.297 11.770 4.136 1.00 17.62 C ATOM 820 C GLY A 111 -0.256 10.615 5.129 1.00 18.47 C ATOM 821 O GLY A 111 -0.384 9.500 4.670 1.00 21.45 O ATOM 0 H GLY A 111 -0.606 13.547 4.948 1.00 17.45 H new ATOM 0 HA2 GLY A 111 -1.191 11.825 3.764 1.00 17.62 H new ATOM 0 HA3 GLY A 111 0.304 11.567 3.402 1.00 17.62 H new ATOM 822 N HIS A 112 -0.037 10.830 6.448 1.00 16.52 N ATOM 823 CA HIS A 112 -0.237 9.732 7.451 1.00 16.37 C ATOM 824 C HIS A 112 -1.682 9.251 7.485 1.00 15.59 C ATOM 825 O HIS A 112 -2.613 10.063 7.578 1.00 14.81 O ATOM 826 CB HIS A 112 0.129 10.142 8.864 1.00 17.16 C ATOM 827 CG HIS A 112 1.565 10.583 9.019 1.00 20.32 C ATOM 828 ND1 HIS A 112 2.615 9.711 8.991 1.00 22.28 N ATOM 829 CD2 HIS A 112 2.096 11.835 9.253 1.00 18.87 C ATOM 830 CE1 HIS A 112 3.766 10.412 9.164 1.00 20.77 C ATOM 831 NE2 HIS A 112 3.434 11.709 9.312 1.00 20.73 N ATOM 0 H HIS A 112 0.220 11.580 6.781 1.00 16.52 H new ATOM 0 HA HIS A 112 0.356 9.023 7.156 1.00 16.37 H new ATOM 0 HB2 HIS A 112 -0.454 10.865 9.143 1.00 17.16 H new ATOM 0 HB3 HIS A 112 -0.038 9.396 9.461 1.00 17.16 H new ATOM 0 HD2 HIS A 112 1.615 12.625 9.352 1.00 18.87 H new ATOM 0 HE1 HIS A 112 4.627 10.060 9.178 1.00 20.77 H new ATOM 0 HE2 HIS A 112 3.990 12.355 9.426 1.00 20.73 H new ATOM 832 N LYS A 113 -1.871 7.930 7.351 1.00 16.45 N ATOM 833 CA LYS A 113 -3.189 7.327 7.123 1.00 15.12 C ATOM 834 C LYS A 113 -3.923 7.186 8.481 1.00 13.64 C ATOM 835 O LYS A 113 -3.429 6.569 9.435 1.00 14.55 O ATOM 836 CB LYS A 113 -3.059 5.949 6.450 1.00 19.50 C ATOM 837 CG LYS A 113 -2.652 5.985 4.949 1.00 23.51 C ATOM 838 CD LYS A 113 -2.791 4.654 4.181 1.00 26.52 C ATOM 839 CE LYS A 113 -1.945 4.647 2.912 1.00 28.28 C ATOM 840 NZ LYS A 113 -2.329 3.524 1.960 1.00 36.94 N ATOM 0 H LYS A 113 -1.231 7.357 7.391 1.00 16.45 H new ATOM 0 HA LYS A 113 -3.698 7.902 6.530 1.00 15.12 H new ATOM 0 HB2 LYS A 113 -2.402 5.427 6.937 1.00 19.50 H new ATOM 0 HB3 LYS A 113 -3.906 5.484 6.530 1.00 19.50 H new ATOM 0 HG2 LYS A 113 -3.192 6.655 4.501 1.00 23.51 H new ATOM 0 HG3 LYS A 113 -1.729 6.278 4.889 1.00 23.51 H new ATOM 0 HD2 LYS A 113 -2.522 3.919 4.754 1.00 26.52 H new ATOM 0 HD3 LYS A 113 -3.722 4.508 3.951 1.00 26.52 H new ATOM 0 HE2 LYS A 113 -2.042 5.499 2.458 1.00 28.28 H new ATOM 0 HE3 LYS A 113 -1.009 4.558 3.151 1.00 28.28 H new ATOM 0 HZ1 LYS A 113 -1.812 3.558 1.236 1.00 36.94 H new ATOM 0 HZ2 LYS A 113 -2.219 2.740 2.366 1.00 36.94 H new ATOM 0 HZ3 LYS A 113 -3.181 3.616 1.720 1.00 36.94 H new ATOM 841 N LEU A 114 -5.126 7.716 8.512 1.00 11.98 N ATOM 842 CA LEU A 114 -5.994 7.723 9.707 1.00 13.01 C ATOM 843 C LEU A 114 -7.383 7.201 9.370 1.00 12.20 C ATOM 844 O LEU A 114 -7.806 7.338 8.217 1.00 13.97 O ATOM 845 CB LEU A 114 -6.110 9.203 10.177 1.00 12.18 C ATOM 846 CG LEU A 114 -4.761 9.787 10.629 1.00 12.32 C ATOM 847 CD1 LEU A 114 -4.943 11.277 10.942 1.00 13.30 C ATOM 848 CD2 LEU A 114 -4.068 9.063 11.821 1.00 14.29 C ATOM 0 H LEU A 114 -5.485 8.096 7.829 1.00 11.98 H new ATOM 0 HA LEU A 114 -5.616 7.154 10.396 1.00 13.01 H new ATOM 0 HB2 LEU A 114 -6.466 9.742 9.453 1.00 12.18 H new ATOM 0 HB3 LEU A 114 -6.744 9.258 10.909 1.00 12.18 H new ATOM 0 HG LEU A 114 -4.154 9.647 9.885 1.00 12.32 H new ATOM 0 HD11 LEU A 114 -4.096 11.654 11.228 1.00 13.30 H new ATOM 0 HD12 LEU A 114 -5.250 11.740 10.147 1.00 13.30 H new ATOM 0 HD13 LEU A 114 -5.598 11.382 11.649 1.00 13.30 H new ATOM 0 HD21 LEU A 114 -3.230 9.506 12.026 1.00 14.29 H new ATOM 0 HD22 LEU A 114 -4.647 9.092 12.598 1.00 14.29 H new ATOM 0 HD23 LEU A 114 -3.894 8.139 11.582 1.00 14.29 H new ATOM 849 N GLU A 115 -8.142 6.664 10.352 1.00 11.92 N ATOM 850 CA GLU A 115 -9.515 6.268 10.030 1.00 12.04 C ATOM 851 C GLU A 115 -10.328 6.591 11.252 1.00 11.98 C ATOM 852 O GLU A 115 -9.788 6.591 12.377 1.00 12.90 O ATOM 853 CB GLU A 115 -9.622 4.733 9.804 1.00 13.48 C ATOM 854 CG GLU A 115 -8.467 4.141 9.008 1.00 16.38 C ATOM 855 CD GLU A 115 -8.655 2.660 8.671 1.00 16.35 C ATOM 856 OE1 GLU A 115 -8.135 2.270 7.622 1.00 16.11 O ATOM 857 OE2 GLU A 115 -9.321 1.932 9.419 1.00 15.44 O ATOM 0 H GLU A 115 -7.891 6.530 11.164 1.00 11.92 H new ATOM 0 HA GLU A 115 -9.812 6.722 9.226 1.00 12.04 H new ATOM 0 HB2 GLU A 115 -9.668 4.291 10.666 1.00 13.48 H new ATOM 0 HB3 GLU A 115 -10.453 4.541 9.342 1.00 13.48 H new ATOM 0 HG2 GLU A 115 -8.361 4.642 8.184 1.00 16.38 H new ATOM 0 HG3 GLU A 115 -7.646 4.249 9.513 1.00 16.38 H new ATOM 858 N LEU A 116 -11.622 6.807 11.046 1.00 11.27 N ATOM 859 CA LEU A 116 -12.573 6.865 12.160 1.00 13.42 C ATOM 860 C LEU A 116 -13.574 5.709 11.983 1.00 13.45 C ATOM 861 O LEU A 116 -13.989 5.443 10.840 1.00 14.89 O ATOM 862 CB LEU A 116 -13.351 8.207 12.112 1.00 12.44 C ATOM 863 CG LEU A 116 -12.444 9.426 12.151 1.00 12.81 C ATOM 864 CD1 LEU A 116 -13.365 10.668 12.248 1.00 12.91 C ATOM 865 CD2 LEU A 116 -11.517 9.348 13.371 1.00 13.87 C ATOM 0 H LEU A 116 -11.974 6.923 10.270 1.00 11.27 H new ATOM 0 HA LEU A 116 -12.103 6.796 13.006 1.00 13.42 H new ATOM 0 HB2 LEU A 116 -13.886 8.235 11.304 1.00 12.44 H new ATOM 0 HB3 LEU A 116 -13.966 8.245 12.861 1.00 12.44 H new ATOM 0 HG LEU A 116 -11.886 9.475 11.359 1.00 12.81 H new ATOM 0 HD11 LEU A 116 -12.823 11.472 12.275 1.00 12.91 H new ATOM 0 HD12 LEU A 116 -13.949 10.699 11.474 1.00 12.91 H new ATOM 0 HD13 LEU A 116 -13.900 10.612 13.055 1.00 12.91 H new ATOM 0 HD21 LEU A 116 -10.941 10.128 13.390 1.00 13.87 H new ATOM 0 HD22 LEU A 116 -12.050 9.320 14.181 1.00 13.87 H new ATOM 0 HD23 LEU A 116 -10.973 8.547 13.314 1.00 13.87 H new ATOM 866 N HIS A 117 -13.942 4.993 13.052 1.00 12.10 N ATOM 867 CA HIS A 117 -14.973 3.894 12.898 1.00 13.74 C ATOM 868 C HIS A 117 -15.952 4.033 14.003 1.00 14.45 C ATOM 869 O HIS A 117 -15.531 4.458 15.054 1.00 13.43 O ATOM 870 CB HIS A 117 -14.282 2.534 13.061 1.00 13.52 C ATOM 871 CG HIS A 117 -13.313 2.238 11.954 1.00 13.93 C ATOM 872 ND1 HIS A 117 -13.725 1.750 10.755 1.00 15.90 N ATOM 873 CD2 HIS A 117 -11.934 2.440 11.870 1.00 12.92 C ATOM 874 CE1 HIS A 117 -12.604 1.553 9.961 1.00 16.37 C ATOM 875 NE2 HIS A 117 -11.514 2.005 10.658 1.00 13.61 N ATOM 0 H HIS A 117 -13.636 5.103 13.848 1.00 12.10 H new ATOM 0 HA HIS A 117 -15.402 3.955 12.030 1.00 13.74 H new ATOM 0 HB2 HIS A 117 -13.813 2.514 13.910 1.00 13.52 H new ATOM 0 HB3 HIS A 117 -14.955 1.836 13.092 1.00 13.52 H new ATOM 0 HD2 HIS A 117 -11.396 2.810 12.533 1.00 12.92 H new ATOM 0 HE1 HIS A 117 -12.594 1.181 9.109 1.00 16.37 H new ATOM 0 HE2 HIS A 117 -10.702 2.011 10.374 1.00 13.61 H new ATOM 876 N THR A 118 -17.216 3.636 13.801 1.00 13.62 N ATOM 877 CA THR A 118 -18.246 3.777 14.802 1.00 14.85 C ATOM 878 C THR A 118 -18.532 2.469 15.521 1.00 17.37 C ATOM 879 O THR A 118 -19.573 2.351 16.145 1.00 18.06 O ATOM 880 CB THR A 118 -19.528 4.301 14.172 1.00 14.23 C ATOM 881 OG1 THR A 118 -20.084 3.297 13.277 1.00 17.21 O ATOM 882 CG2 THR A 118 -19.287 5.629 13.413 1.00 14.47 C ATOM 0 H THR A 118 -17.488 3.276 13.069 1.00 13.62 H new ATOM 0 HA THR A 118 -17.918 4.412 15.458 1.00 14.85 H new ATOM 0 HB THR A 118 -20.162 4.483 14.883 1.00 14.23 H new ATOM 0 HG1 THR A 118 -20.908 3.430 13.184 1.00 17.21 H new ATOM 0 HG21 THR A 118 -20.121 5.936 13.024 1.00 14.47 H new ATOM 0 HG22 THR A 118 -18.953 6.299 14.030 1.00 14.47 H new ATOM 0 HG23 THR A 118 -18.636 5.486 12.709 1.00 14.47 H new ATOM 883 N GLY A 119 -17.627 1.494 15.388 1.00 17.82 N ATOM 884 CA GLY A 119 -17.702 0.269 16.181 1.00 18.58 C ATOM 885 C GLY A 119 -16.289 -0.244 16.431 1.00 19.76 C ATOM 886 O GLY A 119 -15.370 0.097 15.698 1.00 20.98 O ATOM 0 H GLY A 119 -16.963 1.525 14.843 1.00 17.82 H new ATOM 0 HA2 GLY A 119 -18.150 0.442 17.024 1.00 18.58 H new ATOM 0 HA3 GLY A 119 -18.225 -0.402 15.714 1.00 18.58 H new ATOM 887 N THR A 120 -16.122 -1.045 17.467 1.00 20.48 N ATOM 888 CA THR A 120 -14.805 -1.515 17.858 1.00 22.83 C ATOM 889 C THR A 120 -14.388 -2.631 16.932 1.00 23.10 C ATOM 890 O THR A 120 -15.245 -3.325 16.304 1.00 22.29 O ATOM 891 CB THR A 120 -14.796 -2.070 19.282 1.00 23.60 C ATOM 892 OG1 THR A 120 -15.597 -3.272 19.290 1.00 21.90 O ATOM 893 CG2 THR A 120 -15.328 -1.031 20.290 1.00 19.88 C ATOM 0 H THR A 120 -16.764 -1.331 17.962 1.00 20.48 H new ATOM 0 HA THR A 120 -14.199 -0.759 17.811 1.00 22.83 H new ATOM 0 HB THR A 120 -13.888 -2.275 19.555 1.00 23.60 H new ATOM 0 HG1 THR A 120 -15.606 -3.598 20.064 1.00 21.90 H new ATOM 0 HG21 THR A 120 -15.311 -1.409 21.183 1.00 19.88 H new ATOM 0 HG22 THR A 120 -14.769 -0.239 20.264 1.00 19.88 H new ATOM 0 HG23 THR A 120 -16.239 -0.791 20.058 1.00 19.88 H new ATOM 894 N LEU A 121 -13.072 -2.790 16.777 1.00 23.03 N ATOM 895 CA LEU A 121 -12.578 -3.859 15.906 1.00 25.70 C ATOM 896 C LEU A 121 -13.076 -5.220 16.420 1.00 26.90 C ATOM 897 O LEU A 121 -13.367 -6.093 15.635 1.00 28.25 O ATOM 898 CB LEU A 121 -11.049 -3.789 15.748 1.00 25.13 C ATOM 899 CG LEU A 121 -10.445 -4.711 14.686 1.00 23.95 C ATOM 900 CD1 LEU A 121 -10.944 -4.341 13.313 1.00 20.99 C ATOM 901 CD2 LEU A 121 -8.931 -4.636 14.757 1.00 20.51 C ATOM 0 H LEU A 121 -12.467 -2.308 17.153 1.00 23.03 H new ATOM 0 HA LEU A 121 -12.937 -3.740 15.013 1.00 25.70 H new ATOM 0 HB2 LEU A 121 -10.805 -2.875 15.535 1.00 25.13 H new ATOM 0 HB3 LEU A 121 -10.643 -3.999 16.603 1.00 25.13 H new ATOM 0 HG LEU A 121 -10.722 -5.624 14.859 1.00 23.95 H new ATOM 0 HD11 LEU A 121 -10.551 -4.935 12.655 1.00 20.99 H new ATOM 0 HD12 LEU A 121 -11.910 -4.423 13.287 1.00 20.99 H new ATOM 0 HD13 LEU A 121 -10.692 -3.426 13.113 1.00 20.99 H new ATOM 0 HD21 LEU A 121 -8.546 -5.220 14.085 1.00 20.51 H new ATOM 0 HD22 LEU A 121 -8.644 -3.724 14.595 1.00 20.51 H new ATOM 0 HD23 LEU A 121 -8.634 -4.917 15.637 1.00 20.51 H new ATOM 902 N GLU A 122 -13.192 -5.375 17.737 1.00 30.53 N ATOM 903 CA GLU A 122 -13.730 -6.600 18.272 1.00 35.30 C ATOM 904 C GLU A 122 -15.188 -6.881 17.792 1.00 41.65 C ATOM 905 O GLU A 122 -15.477 -7.983 17.283 1.00 44.35 O ATOM 906 CB GLU A 122 -13.662 -6.565 19.773 1.00 39.78 C ATOM 907 CG GLU A 122 -13.797 -7.949 20.355 1.00 49.79 C ATOM 908 CD GLU A 122 -13.623 -7.965 21.842 1.00 49.12 C ATOM 909 OE1 GLU A 122 -12.619 -8.536 22.312 1.00 55.10 O ATOM 910 OE2 GLU A 122 -14.491 -7.402 22.537 1.00 60.64 O ATOM 0 H GLU A 122 -12.966 -4.787 18.323 1.00 30.53 H new ATOM 0 HA GLU A 122 -13.187 -7.330 17.935 1.00 35.30 H new ATOM 0 HB2 GLU A 122 -12.819 -6.174 20.052 1.00 39.78 H new ATOM 0 HB3 GLU A 122 -14.367 -5.995 20.118 1.00 39.78 H new ATOM 0 HG2 GLU A 122 -14.670 -8.307 20.131 1.00 49.79 H new ATOM 0 HG3 GLU A 122 -13.138 -8.533 19.949 1.00 49.79 H new ATOM 911 N ASN A 123 -16.095 -5.906 17.941 1.00 36.61 N ATOM 912 CA ASN A 123 -17.445 -6.012 17.341 1.00 33.20 C ATOM 913 C ASN A 123 -17.418 -6.393 15.905 1.00 34.16 C ATOM 914 O ASN A 123 -18.142 -7.302 15.508 1.00 33.88 O ATOM 915 CB ASN A 123 -18.278 -4.706 17.417 1.00 32.88 C ATOM 916 CG ASN A 123 -19.628 -4.826 16.641 1.00 28.65 C ATOM 917 OD1 ASN A 123 -19.889 -4.143 15.624 1.00 26.83 O ATOM 918 ND2 ASN A 123 -20.455 -5.750 17.099 1.00 32.94 N ATOM 0 H ASN A 123 -15.955 -5.180 18.380 1.00 36.61 H new ATOM 0 HA ASN A 123 -17.858 -6.704 17.880 1.00 33.20 H new ATOM 0 HB2 ASN A 123 -18.458 -4.492 18.346 1.00 32.88 H new ATOM 0 HB3 ASN A 123 -17.760 -3.972 17.052 1.00 32.88 H new ATOM 0 HD21 ASN A 123 -21.200 -5.898 16.696 1.00 32.94 H new ATOM 0 HD22 ASN A 123 -20.248 -6.203 17.800 1.00 32.94 H new ATOM 919 N ARG A 124 -16.666 -5.640 15.099 1.00 35.78 N ATOM 920 CA ARG A 124 -16.570 -5.893 13.650 1.00 45.47 C ATOM 921 C ARG A 124 -16.229 -7.345 13.380 1.00 54.06 C ATOM 922 O ARG A 124 -16.862 -7.993 12.528 1.00 58.83 O ATOM 923 CB ARG A 124 -15.503 -5.049 12.961 1.00 50.89 C ATOM 924 CG ARG A 124 -15.142 -5.614 11.592 1.00 59.57 C ATOM 925 CD ARG A 124 -13.851 -5.059 11.033 1.00 64.71 C ATOM 926 NE ARG A 124 -13.777 -5.259 9.583 1.00 77.07 N ATOM 927 CZ ARG A 124 -14.559 -4.651 8.682 1.00 78.00 C ATOM 928 NH1 ARG A 124 -15.503 -3.795 9.064 1.00 72.91 N ATOM 929 NH2 ARG A 124 -14.403 -4.903 7.386 1.00 75.74 N ATOM 0 H ARG A 124 -16.198 -4.971 15.371 1.00 35.78 H new ATOM 0 HA ARG A 124 -17.440 -5.657 13.292 1.00 45.47 H new ATOM 0 HB2 ARG A 124 -15.823 -4.138 12.863 1.00 50.89 H new ATOM 0 HB3 ARG A 124 -14.709 -5.012 13.517 1.00 50.89 H new ATOM 0 HG2 ARG A 124 -15.070 -6.579 11.657 1.00 59.57 H new ATOM 0 HG3 ARG A 124 -15.863 -5.425 10.971 1.00 59.57 H new ATOM 0 HD2 ARG A 124 -13.787 -4.113 11.236 1.00 64.71 H new ATOM 0 HD3 ARG A 124 -13.096 -5.492 11.462 1.00 64.71 H new ATOM 0 HE ARG A 124 -13.186 -5.809 9.288 1.00 77.07 H new ATOM 0 HH11 ARG A 124 -15.617 -3.626 9.899 1.00 72.91 H new ATOM 0 HH12 ARG A 124 -15.999 -3.411 8.476 1.00 72.91 H new ATOM 0 HH21 ARG A 124 -13.799 -5.457 7.125 1.00 75.74 H new ATOM 0 HH22 ARG A 124 -14.906 -4.512 6.808 1.00 75.74 H new ATOM 930 N LEU A 125 -15.224 -7.845 14.095 1.00 49.69 N ATOM 931 CA LEU A 125 -14.777 -9.216 13.902 1.00 49.62 C ATOM 932 C LEU A 125 -15.844 -10.248 14.267 1.00 48.63 C ATOM 933 O LEU A 125 -15.921 -11.294 13.629 1.00 45.79 O ATOM 934 CB LEU A 125 -13.452 -9.458 14.622 1.00 50.58 C ATOM 935 CG LEU A 125 -12.161 -9.179 13.804 1.00 54.52 C ATOM 936 CD1 LEU A 125 -12.205 -7.963 12.874 1.00 51.69 C ATOM 937 CD2 LEU A 125 -10.928 -9.124 14.707 1.00 52.68 C ATOM 0 H LEU A 125 -14.791 -7.406 14.694 1.00 49.69 H new ATOM 0 HA LEU A 125 -14.622 -9.339 12.952 1.00 49.62 H new ATOM 0 HB2 LEU A 125 -13.433 -8.904 15.418 1.00 50.58 H new ATOM 0 HB3 LEU A 125 -13.431 -10.382 14.918 1.00 50.58 H new ATOM 0 HG LEU A 125 -12.098 -9.941 13.207 1.00 54.52 H new ATOM 0 HD11 LEU A 125 -11.356 -7.877 12.413 1.00 51.69 H new ATOM 0 HD12 LEU A 125 -12.916 -8.078 12.224 1.00 51.69 H new ATOM 0 HD13 LEU A 125 -12.371 -7.162 13.396 1.00 51.69 H new ATOM 0 HD21 LEU A 125 -10.140 -8.949 14.169 1.00 52.68 H new ATOM 0 HD22 LEU A 125 -11.037 -8.416 15.361 1.00 52.68 H new ATOM 0 HD23 LEU A 125 -10.824 -9.973 15.165 1.00 52.68 H new ATOM 938 N ASN A 126 -16.650 -9.938 15.284 1.00 50.10 N ATOM 939 CA ASN A 126 -17.897 -10.680 15.610 1.00 50.75 C ATOM 940 C ASN A 126 -19.068 -10.533 14.622 1.00 44.21 C ATOM 941 O ASN A 126 -18.994 -10.977 13.468 1.00 44.71 O ATOM 942 CB ASN A 126 -18.374 -10.284 17.002 1.00 50.28 C ATOM 943 CG ASN A 126 -17.677 -11.068 18.091 1.00 54.55 C ATOM 944 OD1 ASN A 126 -16.862 -10.542 18.851 1.00 57.16 O ATOM 945 ND2 ASN A 126 -17.993 -12.343 18.170 1.00 53.27 N ATOM 0 H ASN A 126 -16.494 -9.282 15.818 1.00 50.10 H new ATOM 0 HA ASN A 126 -17.640 -11.614 15.553 1.00 50.75 H new ATOM 0 HB2 ASN A 126 -18.218 -9.336 17.138 1.00 50.28 H new ATOM 0 HB3 ASN A 126 -19.331 -10.426 17.066 1.00 50.28 H new ATOM 0 HD21 ASN A 126 -17.626 -12.841 18.768 1.00 53.27 H new ATOM 0 HD22 ASN A 126 -18.566 -12.679 17.624 1.00 53.27 H new ATOM 946 N LYS A 132 -17.320 -13.764 7.600 1.00 52.65 N ATOM 947 CA LYS A 132 -16.316 -14.486 6.816 1.00 47.51 C ATOM 948 C LYS A 132 -16.040 -15.865 7.484 1.00 52.03 C ATOM 949 O LYS A 132 -15.161 -15.992 8.373 1.00 43.17 O ATOM 950 CB LYS A 132 -15.052 -13.633 6.656 1.00 48.84 C ATOM 951 CG LYS A 132 -15.203 -12.412 5.749 1.00 52.25 C ATOM 952 CD LYS A 132 -13.831 -11.929 5.274 1.00 54.43 C ATOM 953 CE LYS A 132 -13.866 -10.701 4.361 1.00 55.10 C ATOM 954 NZ LYS A 132 -14.165 -10.991 2.925 1.00 49.07 N ATOM 0 HA LYS A 132 -16.645 -14.657 5.920 1.00 47.51 H new ATOM 0 HB2 LYS A 132 -14.768 -13.333 7.534 1.00 48.84 H new ATOM 0 HB3 LYS A 132 -14.343 -14.194 6.305 1.00 48.84 H new ATOM 0 HG2 LYS A 132 -15.756 -12.636 4.984 1.00 52.25 H new ATOM 0 HG3 LYS A 132 -15.655 -11.700 6.228 1.00 52.25 H new ATOM 0 HD2 LYS A 132 -13.287 -11.724 6.051 1.00 54.43 H new ATOM 0 HD3 LYS A 132 -13.391 -12.654 4.803 1.00 54.43 H new ATOM 0 HE2 LYS A 132 -14.533 -10.083 4.698 1.00 55.10 H new ATOM 0 HE3 LYS A 132 -13.009 -10.250 4.414 1.00 55.10 H new ATOM 0 HZ1 LYS A 132 -14.168 -10.231 2.463 1.00 49.07 H new ATOM 0 HZ2 LYS A 132 -13.543 -11.536 2.596 1.00 49.07 H new ATOM 0 HZ3 LYS A 132 -14.963 -11.380 2.860 1.00 49.07 H new ATOM 955 N PRO A 133 -16.819 -16.904 7.074 1.00 47.33 N ATOM 956 CA PRO A 133 -16.853 -18.204 7.757 1.00 42.35 C ATOM 957 C PRO A 133 -15.505 -18.888 7.695 1.00 37.31 C ATOM 958 O PRO A 133 -15.143 -19.629 8.623 1.00 35.29 O ATOM 959 CB PRO A 133 -17.880 -19.019 6.937 1.00 43.04 C ATOM 960 CG PRO A 133 -18.660 -18.005 6.186 1.00 47.33 C ATOM 961 CD PRO A 133 -17.685 -16.898 5.882 1.00 50.19 C ATOM 0 HA PRO A 133 -17.080 -18.119 8.696 1.00 42.35 H new ATOM 0 HB2 PRO A 133 -17.438 -19.638 6.336 1.00 43.04 H new ATOM 0 HB3 PRO A 133 -18.453 -19.546 7.516 1.00 43.04 H new ATOM 0 HG2 PRO A 133 -19.029 -18.380 5.371 1.00 47.33 H new ATOM 0 HG3 PRO A 133 -19.407 -17.679 6.711 1.00 47.33 H new ATOM 0 HD2 PRO A 133 -17.184 -17.071 5.070 1.00 50.19 H new ATOM 0 HD3 PRO A 133 -18.132 -16.045 5.764 1.00 50.19 H new ATOM 962 N HIS A 134 -14.777 -18.599 6.620 1.00 34.40 N ATOM 963 CA HIS A 134 -13.494 -19.188 6.294 1.00 37.68 C ATOM 964 C HIS A 134 -12.357 -18.712 7.190 1.00 37.04 C ATOM 965 O HIS A 134 -11.314 -19.391 7.262 1.00 34.92 O ATOM 966 CB HIS A 134 -13.151 -18.890 4.829 1.00 46.61 C ATOM 967 CG HIS A 134 -13.188 -17.396 4.478 1.00 57.23 C ATOM 968 ND1 HIS A 134 -12.142 -16.751 3.897 1.00 59.91 N ATOM 969 CD2 HIS A 134 -14.190 -16.428 4.663 1.00 59.59 C ATOM 970 CE1 HIS A 134 -12.457 -15.450 3.713 1.00 62.12 C ATOM 971 NE2 HIS A 134 -13.706 -15.251 4.186 1.00 64.48 N ATOM 0 H HIS A 134 -15.036 -18.024 6.035 1.00 34.40 H new ATOM 0 HA HIS A 134 -13.582 -20.143 6.443 1.00 37.68 H new ATOM 0 HB2 HIS A 134 -12.267 -19.238 4.635 1.00 46.61 H new ATOM 0 HB3 HIS A 134 -13.774 -19.364 4.256 1.00 46.61 H new ATOM 0 HD1 HIS A 134 -11.394 -17.115 3.680 1.00 59.91 H new ATOM 0 HD2 HIS A 134 -15.028 -16.567 5.041 1.00 59.59 H new ATOM 0 HE1 HIS A 134 -11.909 -14.804 3.328 1.00 62.12 H new ATOM 972 N MET A 135 -12.528 -17.559 7.852 1.00 30.26 N ATOM 973 CA MET A 135 -11.539 -17.058 8.831 1.00 26.20 C ATOM 974 C MET A 135 -11.391 -17.935 10.086 1.00 23.04 C ATOM 975 O MET A 135 -12.292 -18.697 10.433 1.00 22.08 O ATOM 976 CB MET A 135 -11.800 -15.571 9.170 1.00 25.31 C ATOM 977 CG MET A 135 -11.444 -14.699 7.954 1.00 31.26 C ATOM 978 SD MET A 135 -11.693 -12.921 8.095 1.00 37.41 S ATOM 979 CE MET A 135 -9.963 -12.363 8.234 1.00 31.53 C ATOM 0 H MET A 135 -13.212 -17.048 7.750 1.00 30.26 H new ATOM 0 HA MET A 135 -10.674 -17.119 8.396 1.00 26.20 H new ATOM 0 HB2 MET A 135 -12.731 -15.443 9.411 1.00 25.31 H new ATOM 0 HB3 MET A 135 -11.269 -15.306 9.937 1.00 25.31 H new ATOM 0 HG2 MET A 135 -10.511 -14.853 7.739 1.00 31.26 H new ATOM 0 HG3 MET A 135 -11.965 -15.014 7.199 1.00 31.26 H new ATOM 0 HE1 MET A 135 -9.931 -11.527 8.725 1.00 31.53 H new ATOM 0 HE2 MET A 135 -9.443 -13.034 8.704 1.00 31.53 H new ATOM 0 HE3 MET A 135 -9.593 -12.230 7.347 1.00 31.53 H new ATOM 980 N THR A 136 -10.226 -17.870 10.737 1.00 17.25 N ATOM 981 CA THR A 136 -9.961 -18.773 11.828 1.00 18.18 C ATOM 982 C THR A 136 -9.900 -17.884 13.038 1.00 18.53 C ATOM 983 O THR A 136 -9.052 -16.967 13.077 1.00 14.15 O ATOM 984 CB THR A 136 -8.620 -19.494 11.528 1.00 19.04 C ATOM 985 OG1 THR A 136 -8.779 -20.258 10.325 1.00 20.55 O ATOM 986 CG2 THR A 136 -8.132 -20.417 12.699 1.00 20.61 C ATOM 0 H THR A 136 -9.593 -17.316 10.558 1.00 17.25 H new ATOM 0 HA THR A 136 -10.625 -19.467 11.962 1.00 18.18 H new ATOM 0 HB THR A 136 -7.934 -18.816 11.424 1.00 19.04 H new ATOM 0 HG1 THR A 136 -8.795 -19.740 9.664 1.00 20.55 H new ATOM 0 HG21 THR A 136 -7.293 -20.837 12.452 1.00 20.61 H new ATOM 0 HG22 THR A 136 -8.003 -19.884 13.499 1.00 20.61 H new ATOM 0 HG23 THR A 136 -8.798 -21.101 12.871 1.00 20.61 H new ATOM 987 N PHE A 137 -10.773 -18.135 14.006 1.00 20.65 N ATOM 988 CA PHE A 137 -10.991 -17.235 15.153 1.00 26.62 C ATOM 989 C PHE A 137 -10.398 -18.029 16.284 1.00 27.51 C ATOM 990 O PHE A 137 -10.663 -19.192 16.347 1.00 32.21 O ATOM 991 CB PHE A 137 -12.513 -17.010 15.460 1.00 29.24 C ATOM 992 CG PHE A 137 -13.257 -16.247 14.382 1.00 31.15 C ATOM 993 CD1 PHE A 137 -13.501 -14.882 14.523 1.00 35.18 C ATOM 994 CD2 PHE A 137 -13.670 -16.876 13.231 1.00 32.98 C ATOM 995 CE1 PHE A 137 -14.141 -14.164 13.525 1.00 34.79 C ATOM 996 CE2 PHE A 137 -14.340 -16.171 12.215 1.00 36.48 C ATOM 997 CZ PHE A 137 -14.564 -14.807 12.361 1.00 35.06 C ATOM 0 H PHE A 137 -11.266 -18.840 14.023 1.00 20.65 H new ATOM 0 HA PHE A 137 -10.612 -16.355 15.003 1.00 26.62 H new ATOM 0 HB2 PHE A 137 -12.939 -17.873 15.584 1.00 29.24 H new ATOM 0 HB3 PHE A 137 -12.596 -16.529 16.298 1.00 29.24 H new ATOM 0 HD1 PHE A 137 -13.230 -14.446 15.299 1.00 35.18 H new ATOM 0 HD2 PHE A 137 -13.503 -17.784 13.122 1.00 32.98 H new ATOM 0 HE1 PHE A 137 -14.289 -13.252 13.631 1.00 34.79 H new ATOM 0 HE2 PHE A 137 -14.631 -16.614 11.451 1.00 36.48 H new ATOM 0 HZ PHE A 137 -14.992 -14.327 11.689 1.00 35.06 H new ATOM 998 N TYR A 138 -9.652 -17.380 17.188 1.00 29.89 N ATOM 999 CA TYR A 138 -8.926 -18.048 18.266 1.00 28.92 C ATOM 1000 C TYR A 138 -9.544 -17.785 19.634 1.00 31.77 C ATOM 1001 O TYR A 138 -9.692 -16.628 19.984 1.00 38.69 O ATOM 1002 CB TYR A 138 -7.463 -17.563 18.291 1.00 24.27 C ATOM 1003 CG TYR A 138 -6.733 -18.107 17.084 1.00 22.29 C ATOM 1004 CD1 TYR A 138 -6.032 -19.282 17.185 1.00 21.49 C ATOM 1005 CD2 TYR A 138 -6.871 -17.509 15.837 1.00 19.93 C ATOM 1006 CE1 TYR A 138 -5.420 -19.842 16.076 1.00 23.64 C ATOM 1007 CE2 TYR A 138 -6.237 -18.022 14.738 1.00 21.54 C ATOM 1008 CZ TYR A 138 -5.519 -19.213 14.881 1.00 21.76 C ATOM 1009 OH TYR A 138 -4.877 -19.783 13.848 1.00 23.53 O ATOM 0 H TYR A 138 -9.555 -16.525 17.188 1.00 29.89 H new ATOM 0 HA TYR A 138 -8.973 -19.000 18.088 1.00 28.92 H new ATOM 0 HB2 TYR A 138 -7.433 -16.593 18.290 1.00 24.27 H new ATOM 0 HB3 TYR A 138 -7.027 -17.859 19.106 1.00 24.27 H new ATOM 0 HD1 TYR A 138 -5.967 -19.708 18.009 1.00 21.49 H new ATOM 0 HD2 TYR A 138 -7.401 -16.750 15.748 1.00 19.93 H new ATOM 0 HE1 TYR A 138 -4.947 -20.639 16.151 1.00 23.64 H new ATOM 0 HE2 TYR A 138 -6.283 -17.589 13.916 1.00 21.54 H new ATOM 0 HH TYR A 138 -4.997 -19.324 13.155 1.00 23.53 H new TER 1010 TYR A 138 ATOM 1011 N HIS B -1 -20.165 14.478 23.253 1.00 57.36 N ATOM 1012 CA HIS B -1 -20.078 15.777 22.531 1.00 50.38 C ATOM 1013 C HIS B -1 -18.682 15.979 21.971 1.00 42.31 C ATOM 1014 O HIS B -1 -17.764 16.294 22.691 1.00 37.41 O ATOM 1015 CB HIS B -1 -20.522 16.922 23.454 1.00 55.00 C ATOM 1016 CG HIS B -1 -21.335 18.002 22.753 1.00 58.45 C ATOM 1017 ND1 HIS B -1 -22.634 17.838 22.431 1.00 62.19 N ATOM 1018 CD2 HIS B -1 -20.989 19.292 22.339 1.00 54.68 C ATOM 1019 CE1 HIS B -1 -23.096 18.959 21.836 1.00 62.19 C ATOM 1020 NE2 HIS B -1 -22.091 19.849 21.790 1.00 57.23 N ATOM 0 H1 HIS B -1 -20.900 14.465 23.754 1.00 57.36 H new ATOM 0 H2 HIS B -1 -20.196 13.812 22.663 1.00 57.36 H new ATOM 0 H3 HIS B -1 -19.450 14.379 23.774 1.00 57.36 H new ATOM 0 HA HIS B -1 -20.683 15.771 21.773 1.00 50.38 H new ATOM 0 HB2 HIS B -1 -21.049 16.554 24.181 1.00 55.00 H new ATOM 0 HB3 HIS B -1 -19.736 17.328 23.851 1.00 55.00 H new ATOM 0 HD2 HIS B -1 -20.154 19.693 22.426 1.00 54.68 H new ATOM 0 HE1 HIS B -1 -23.959 19.091 21.515 1.00 62.19 H new ATOM 0 HE2 HIS B -1 -22.141 20.643 21.464 1.00 57.23 H new ATOM 1021 N HIS B 0 -18.536 15.709 20.673 1.00 40.64 N ATOM 1022 CA HIS B 0 -17.383 16.051 19.800 1.00 27.04 C ATOM 1023 C HIS B 0 -15.970 15.750 20.207 1.00 24.42 C ATOM 1024 O HIS B 0 -15.155 16.686 20.330 1.00 20.87 O ATOM 1025 CB HIS B 0 -17.483 17.453 19.231 1.00 28.58 C ATOM 1026 CG HIS B 0 -18.899 17.876 18.895 1.00 32.35 C ATOM 1027 ND1 HIS B 0 -19.839 16.999 18.442 1.00 31.85 N ATOM 1028 CD2 HIS B 0 -19.509 19.138 18.919 1.00 33.14 C ATOM 1029 CE1 HIS B 0 -20.997 17.659 18.216 1.00 32.77 C ATOM 1030 NE2 HIS B 0 -20.793 18.974 18.510 1.00 34.60 N ATOM 0 H HIS B 0 -19.148 15.290 20.238 1.00 40.64 H new ATOM 0 HA HIS B 0 -17.521 15.365 19.128 1.00 27.04 H new ATOM 0 HB2 HIS B 0 -17.110 18.080 19.870 1.00 28.58 H new ATOM 0 HB3 HIS B 0 -16.939 17.508 18.430 1.00 28.58 H new ATOM 0 HD1 HIS B 0 -19.715 16.157 18.319 1.00 31.85 H new ATOM 0 HD2 HIS B 0 -19.108 19.939 19.169 1.00 33.14 H new ATOM 0 HE1 HIS B 0 -21.792 17.282 17.914 1.00 32.77 H new ATOM 1031 N MET B 1 -15.655 14.459 20.345 1.00 19.58 N ATOM 1032 CA MET B 1 -14.259 14.025 20.582 1.00 18.53 C ATOM 1033 C MET B 1 -14.074 12.679 19.904 1.00 19.15 C ATOM 1034 O MET B 1 -15.017 11.820 19.858 1.00 18.36 O ATOM 1035 CB MET B 1 -13.932 13.893 22.079 1.00 17.45 C ATOM 0 H MET B 1 -16.226 13.817 20.306 1.00 19.58 H new ATOM 0 HA MET B 1 -13.659 14.695 20.220 1.00 18.53 H new ATOM 1036 N LEU B 2 -12.876 12.485 19.363 1.00 15.09 N ATOM 1037 CA LEU B 2 -12.444 11.140 19.095 1.00 15.78 C ATOM 1038 C LEU B 2 -12.340 10.402 20.463 1.00 16.59 C ATOM 1039 O LEU B 2 -11.729 10.910 21.440 1.00 15.50 O ATOM 1040 CB LEU B 2 -11.074 11.204 18.459 1.00 15.93 C ATOM 1041 CG LEU B 2 -11.033 12.030 17.144 1.00 16.92 C ATOM 1042 CD1 LEU B 2 -9.780 11.732 16.376 1.00 16.16 C ATOM 1043 CD2 LEU B 2 -12.245 11.662 16.293 1.00 15.03 C ATOM 0 H LEU B 2 -12.319 13.105 19.152 1.00 15.09 H new ATOM 0 HA LEU B 2 -13.060 10.678 18.505 1.00 15.78 H new ATOM 0 HB2 LEU B 2 -10.450 11.590 19.093 1.00 15.93 H new ATOM 0 HB3 LEU B 2 -10.770 10.302 18.274 1.00 15.93 H new ATOM 0 HG LEU B 2 -11.048 12.975 17.361 1.00 16.92 H new ATOM 0 HD11 LEU B 2 -9.769 12.255 15.559 1.00 16.16 H new ATOM 0 HD12 LEU B 2 -9.007 11.961 16.916 1.00 16.16 H new ATOM 0 HD13 LEU B 2 -9.752 10.788 16.156 1.00 16.16 H new ATOM 0 HD21 LEU B 2 -12.229 12.173 15.469 1.00 15.03 H new ATOM 0 HD22 LEU B 2 -12.220 10.715 16.086 1.00 15.03 H new ATOM 0 HD23 LEU B 2 -13.058 11.864 16.782 1.00 15.03 H new ATOM 1044 N LYS B 3 -12.880 9.198 20.552 1.00 14.09 N ATOM 1045 CA LYS B 3 -13.021 8.565 21.872 1.00 13.97 C ATOM 1046 C LYS B 3 -11.764 7.816 22.369 1.00 14.28 C ATOM 1047 O LYS B 3 -11.366 7.945 23.508 1.00 13.35 O ATOM 1048 CB LYS B 3 -14.279 7.636 21.879 1.00 13.59 C ATOM 1049 CG LYS B 3 -15.615 8.352 21.588 1.00 15.89 C ATOM 1050 CD LYS B 3 -16.858 7.516 21.927 1.00 17.73 C ATOM 1051 CE LYS B 3 -16.623 6.036 21.705 1.00 21.21 C ATOM 1052 NZ LYS B 3 -17.502 5.217 22.603 1.00 27.55 N ATOM 0 H LYS B 3 -13.167 8.734 19.887 1.00 14.09 H new ATOM 0 HA LYS B 3 -13.138 9.287 22.509 1.00 13.97 H new ATOM 0 HB2 LYS B 3 -14.152 6.936 21.220 1.00 13.59 H new ATOM 0 HB3 LYS B 3 -14.341 7.203 22.745 1.00 13.59 H new ATOM 0 HG2 LYS B 3 -15.645 9.179 22.094 1.00 15.89 H new ATOM 0 HG3 LYS B 3 -15.645 8.593 20.649 1.00 15.89 H new ATOM 0 HD2 LYS B 3 -17.107 7.668 22.852 1.00 17.73 H new ATOM 0 HD3 LYS B 3 -17.604 7.810 21.381 1.00 17.73 H new ATOM 0 HE2 LYS B 3 -16.801 5.811 20.778 1.00 21.21 H new ATOM 0 HE3 LYS B 3 -15.692 5.823 21.875 1.00 21.21 H new ATOM 0 HZ1 LYS B 3 -17.350 4.352 22.459 1.00 27.55 H new ATOM 0 HZ2 LYS B 3 -17.322 5.412 23.453 1.00 27.55 H new ATOM 0 HZ3 LYS B 3 -18.356 5.401 22.431 1.00 27.55 H new ATOM 1053 N SER B 4 -11.184 7.010 21.503 1.00 14.21 N ATOM 1054 CA SER B 4 -10.111 6.099 21.819 1.00 14.80 C ATOM 1055 C SER B 4 -9.448 5.669 20.516 1.00 14.16 C ATOM 1056 O SER B 4 -10.025 5.827 19.445 1.00 13.90 O ATOM 1057 CB SER B 4 -10.697 4.841 22.480 1.00 15.09 C ATOM 1058 OG SER B 4 -11.798 4.325 21.710 1.00 15.62 O ATOM 0 H SER B 4 -11.417 6.979 20.676 1.00 14.21 H new ATOM 0 HA SER B 4 -9.476 6.531 22.412 1.00 14.80 H new ATOM 0 HB2 SER B 4 -10.008 4.163 22.562 1.00 15.09 H new ATOM 0 HB3 SER B 4 -10.996 5.052 23.378 1.00 15.09 H new ATOM 0 HG SER B 4 -12.460 4.204 22.213 1.00 15.62 H new ATOM 1059 N ILE B 5 -8.307 5.033 20.640 1.00 14.20 N ATOM 1060 CA ILE B 5 -7.740 4.264 19.516 1.00 14.72 C ATOM 1061 C ILE B 5 -8.556 2.980 19.220 1.00 14.64 C ATOM 1062 O ILE B 5 -8.992 2.263 20.150 1.00 15.20 O ATOM 1063 CB ILE B 5 -6.224 4.007 19.706 1.00 16.65 C ATOM 1064 CG1 ILE B 5 -5.610 3.456 18.420 1.00 17.35 C ATOM 1065 CG2 ILE B 5 -6.076 2.980 20.797 1.00 18.26 C ATOM 1066 CD1 ILE B 5 -4.107 3.622 18.354 1.00 21.71 C ATOM 0 H ILE B 5 -7.833 5.023 21.358 1.00 14.20 H new ATOM 0 HA ILE B 5 -7.818 4.809 18.717 1.00 14.72 H new ATOM 0 HB ILE B 5 -5.772 4.835 19.932 1.00 16.65 H new ATOM 0 HG12 ILE B 5 -5.829 2.514 18.343 1.00 17.35 H new ATOM 0 HG13 ILE B 5 -6.012 3.904 17.659 1.00 17.35 H new ATOM 0 HG21 ILE B 5 -5.135 2.795 20.942 1.00 18.26 H new ATOM 0 HG22 ILE B 5 -6.469 3.319 21.617 1.00 18.26 H new ATOM 0 HG23 ILE B 5 -6.529 2.163 20.536 1.00 18.26 H new ATOM 0 HD11 ILE B 5 -3.777 3.255 17.519 1.00 21.71 H new ATOM 0 HD12 ILE B 5 -3.883 4.564 18.404 1.00 21.71 H new ATOM 0 HD13 ILE B 5 -3.696 3.153 19.097 1.00 21.71 H new ATOM 1067 N ASN B 6 -8.846 2.774 17.926 1.00 13.63 N ATOM 1068 CA ASN B 6 -9.715 1.668 17.504 1.00 13.58 C ATOM 1069 C ASN B 6 -8.756 0.479 17.239 1.00 12.34 C ATOM 1070 O ASN B 6 -8.945 -0.610 17.824 1.00 13.88 O ATOM 1071 CB ASN B 6 -10.437 2.032 16.208 1.00 12.79 C ATOM 1072 CG ASN B 6 -11.484 0.985 15.806 1.00 14.74 C ATOM 1073 OD1 ASN B 6 -11.202 0.098 14.973 1.00 16.86 O ATOM 1074 ND2 ASN B 6 -12.701 1.115 16.347 1.00 15.22 N ATOM 0 H ASN B 6 -8.550 3.262 17.282 1.00 13.63 H new ATOM 0 HA ASN B 6 -10.388 1.463 18.172 1.00 13.58 H new ATOM 0 HB2 ASN B 6 -10.869 2.894 16.313 1.00 12.79 H new ATOM 0 HB3 ASN B 6 -9.787 2.126 15.494 1.00 12.79 H new ATOM 0 HD21 ASN B 6 -13.331 0.573 16.124 1.00 15.22 H new ATOM 0 HD22 ASN B 6 -12.853 1.740 16.918 1.00 15.22 H new ATOM 1075 N HIS B 7 -7.718 0.744 16.410 1.00 13.45 N ATOM 1076 CA HIS B 7 -6.604 -0.160 16.195 1.00 12.12 C ATOM 1077 C HIS B 7 -5.468 0.509 15.442 1.00 11.41 C ATOM 1078 O HIS B 7 -5.592 1.603 14.858 1.00 11.48 O ATOM 1079 CB HIS B 7 -7.120 -1.388 15.388 1.00 10.41 C ATOM 1080 CG HIS B 7 -7.545 -1.050 13.981 1.00 11.62 C ATOM 1081 ND1 HIS B 7 -8.786 -0.565 13.672 1.00 11.74 N ATOM 1082 CD2 HIS B 7 -6.875 -1.205 12.783 1.00 11.42 C ATOM 1083 CE1 HIS B 7 -8.878 -0.399 12.329 1.00 11.02 C ATOM 1084 NE2 HIS B 7 -7.705 -0.777 11.790 1.00 12.19 N ATOM 0 H HIS B 7 -7.658 1.473 15.957 1.00 13.45 H new ATOM 0 HA HIS B 7 -6.254 -0.434 17.057 1.00 12.12 H new ATOM 0 HB2 HIS B 7 -6.421 -2.060 15.354 1.00 10.41 H new ATOM 0 HB3 HIS B 7 -7.871 -1.783 15.859 1.00 10.41 H new ATOM 0 HD1 HIS B 7 -9.409 -0.393 14.239 1.00 11.74 H new ATOM 0 HD2 HIS B 7 -6.014 -1.540 12.674 1.00 11.42 H new ATOM 0 HE1 HIS B 7 -9.618 -0.081 11.865 1.00 11.02 H new ATOM 1085 N ILE B 8 -4.356 -0.197 15.347 1.00 11.70 N ATOM 1086 CA ILE B 8 -3.299 0.211 14.410 1.00 13.81 C ATOM 1087 C ILE B 8 -3.141 -0.914 13.399 1.00 13.60 C ATOM 1088 O ILE B 8 -3.317 -2.112 13.709 1.00 12.58 O ATOM 1089 CB ILE B 8 -1.955 0.333 15.194 1.00 16.82 C ATOM 1090 CG1 ILE B 8 -2.137 1.377 16.333 1.00 18.71 C ATOM 1091 CG2 ILE B 8 -0.855 0.647 14.238 1.00 19.95 C ATOM 1092 CD1 ILE B 8 -0.876 1.872 17.043 1.00 22.42 C ATOM 0 H ILE B 8 -4.185 -0.906 15.803 1.00 11.70 H new ATOM 0 HA ILE B 8 -3.520 1.054 13.984 1.00 13.81 H new ATOM 0 HB ILE B 8 -1.706 -0.501 15.621 1.00 16.82 H new ATOM 0 HG12 ILE B 8 -2.594 2.148 15.962 1.00 18.71 H new ATOM 0 HG13 ILE B 8 -2.725 0.992 17.001 1.00 18.71 H new ATOM 0 HG21 ILE B 8 -0.018 0.724 14.722 1.00 19.95 H new ATOM 0 HG22 ILE B 8 -0.785 -0.063 13.581 1.00 19.95 H new ATOM 0 HG23 ILE B 8 -1.046 1.485 13.788 1.00 19.95 H new ATOM 0 HD11 ILE B 8 -1.121 2.515 17.727 1.00 22.42 H new ATOM 0 HD12 ILE B 8 -0.420 1.121 17.454 1.00 22.42 H new ATOM 0 HD13 ILE B 8 -0.287 2.295 16.399 1.00 22.42 H new ATOM 1093 N CYS B 9 -2.729 -0.569 12.208 1.00 14.10 N ATOM 1094 CA CYS B 9 -2.536 -1.605 11.213 1.00 14.62 C ATOM 1095 C CYS B 9 -1.171 -1.463 10.559 1.00 14.43 C ATOM 1096 O CYS B 9 -0.790 -0.358 10.288 1.00 15.35 O ATOM 1097 CB CYS B 9 -3.622 -1.492 10.187 1.00 13.73 C ATOM 1098 SG CYS B 9 -3.487 -2.566 8.730 1.00 17.10 S ATOM 0 H CYS B 9 -2.557 0.234 11.952 1.00 14.10 H new ATOM 0 HA CYS B 9 -2.575 -2.477 11.636 1.00 14.62 H new ATOM 0 HB2 CYS B 9 -4.469 -1.678 10.622 1.00 13.73 H new ATOM 0 HB3 CYS B 9 -3.655 -0.572 9.882 1.00 13.73 H new ATOM 0 HG CYS B 9 -4.419 -2.370 8.000 1.00 17.10 H new ATOM 1099 N PHE B 10 -0.447 -2.577 10.385 1.00 14.52 N ATOM 1100 CA PHE B 10 0.836 -2.600 9.617 1.00 14.00 C ATOM 1101 C PHE B 10 0.724 -3.513 8.410 1.00 13.58 C ATOM 1102 O PHE B 10 0.150 -4.605 8.505 1.00 12.50 O ATOM 1103 CB PHE B 10 1.946 -3.189 10.469 1.00 17.78 C ATOM 1104 CG PHE B 10 2.297 -2.367 11.683 1.00 19.69 C ATOM 1105 CD1 PHE B 10 2.835 -1.068 11.554 1.00 21.21 C ATOM 1106 CD2 PHE B 10 2.114 -2.906 12.938 1.00 20.42 C ATOM 1107 CE1 PHE B 10 3.206 -0.341 12.697 1.00 20.62 C ATOM 1108 CE2 PHE B 10 2.477 -2.166 14.083 1.00 23.40 C ATOM 1109 CZ PHE B 10 3.005 -0.900 13.936 1.00 19.90 C ATOM 0 H PHE B 10 -0.675 -3.343 10.703 1.00 14.52 H new ATOM 0 HA PHE B 10 1.024 -1.685 9.355 1.00 14.00 H new ATOM 0 HB2 PHE B 10 1.682 -4.077 10.757 1.00 17.78 H new ATOM 0 HB3 PHE B 10 2.740 -3.293 9.921 1.00 17.78 H new ATOM 0 HD1 PHE B 10 2.944 -0.693 10.710 1.00 21.21 H new ATOM 0 HD2 PHE B 10 1.751 -3.757 13.030 1.00 20.42 H new ATOM 0 HE1 PHE B 10 3.582 0.506 12.616 1.00 20.62 H new ATOM 0 HE2 PHE B 10 2.361 -2.529 14.931 1.00 23.40 H new ATOM 0 HZ PHE B 10 3.231 -0.412 14.695 1.00 19.90 H new ATOM 1110 N SER B 11 1.277 -3.072 7.302 1.00 13.14 N ATOM 1111 CA ASER B 11 1.584 -4.003 6.202 0.50 13.14 C ATOM 1112 CA BSER B 11 1.569 -3.988 6.203 0.50 14.11 C ATOM 1113 C SER B 11 2.887 -4.774 6.464 1.00 12.81 C ATOM 1114 O SER B 11 3.900 -4.222 6.948 1.00 12.68 O ATOM 1115 CB ASER B 11 1.673 -3.241 4.900 0.50 12.61 C ATOM 1116 CB BSER B 11 1.648 -3.201 4.911 0.50 14.94 C ATOM 1117 OG ASER B 11 0.437 -2.627 4.679 0.50 10.89 O ATOM 1118 OG BSER B 11 1.962 -4.077 3.867 0.50 16.45 O ATOM 0 H ASER B 11 1.486 -2.251 7.153 0.50 13.14 H new ATOM 0 H BSER B 11 1.493 -2.252 7.158 0.50 13.14 H new ATOM 0 HA ASER B 11 0.867 -4.654 6.145 0.50 14.11 H new ATOM 0 HA BSER B 11 0.856 -4.642 6.134 0.50 14.11 H new ATOM 0 HB2ASER B 11 2.379 -2.578 4.942 0.50 14.94 H new ATOM 0 HB2BSER B 11 0.803 -2.759 4.735 0.50 14.94 H new ATOM 0 HB3ASER B 11 1.890 -3.841 4.169 0.50 14.94 H new ATOM 0 HB3BSER B 11 2.322 -2.507 4.981 0.50 14.94 H new ATOM 0 HG ASER B 11 0.231 -2.696 3.868 0.50 16.45 H new ATOM 0 HG BSER B 11 2.271 -3.641 3.219 0.50 16.45 H new ATOM 1119 N VAL B 12 2.882 -6.064 6.177 1.00 11.46 N ATOM 1120 CA VAL B 12 4.027 -6.949 6.487 1.00 10.49 C ATOM 1121 C VAL B 12 4.267 -7.885 5.325 1.00 11.85 C ATOM 1122 O VAL B 12 3.289 -8.293 4.661 1.00 11.99 O ATOM 1123 CB VAL B 12 3.791 -7.843 7.746 1.00 10.03 C ATOM 1124 CG1 VAL B 12 3.568 -6.932 9.003 1.00 11.08 C ATOM 1125 CG2 VAL B 12 2.544 -8.768 7.569 1.00 9.98 C ATOM 0 H VAL B 12 2.222 -6.464 5.797 1.00 11.46 H new ATOM 0 HA VAL B 12 4.782 -6.364 6.657 1.00 10.49 H new ATOM 0 HB VAL B 12 4.576 -8.401 7.863 1.00 10.03 H new ATOM 0 HG11 VAL B 12 3.422 -7.488 9.784 1.00 11.08 H new ATOM 0 HG12 VAL B 12 4.351 -6.377 9.144 1.00 11.08 H new ATOM 0 HG13 VAL B 12 2.793 -6.366 8.860 1.00 11.08 H new ATOM 0 HG21 VAL B 12 2.426 -9.308 8.366 1.00 9.98 H new ATOM 0 HG22 VAL B 12 1.754 -8.223 7.428 1.00 9.98 H new ATOM 0 HG23 VAL B 12 2.677 -9.348 6.803 1.00 9.98 H new ATOM 1126 N ARG B 13 5.526 -8.263 5.121 1.00 12.90 N ATOM 1127 CA ARG B 13 5.867 -9.154 3.946 1.00 15.65 C ATOM 1128 C ARG B 13 5.477 -10.645 4.263 1.00 15.60 C ATOM 1129 O ARG B 13 5.139 -11.400 3.372 1.00 18.07 O ATOM 1130 CB ARG B 13 7.351 -9.049 3.588 1.00 21.25 C ATOM 1131 CG ARG B 13 7.737 -9.719 2.224 1.00 29.14 C ATOM 1132 CD ARG B 13 9.076 -9.292 1.570 1.00 38.84 C ATOM 1133 NE ARG B 13 10.198 -10.184 1.941 1.00 44.19 N ATOM 1134 CZ ARG B 13 11.490 -10.046 1.597 1.00 50.46 C ATOM 1135 NH1 ARG B 13 11.927 -9.041 0.829 1.00 42.80 N ATOM 1136 NH2 ARG B 13 12.370 -10.949 2.031 1.00 53.25 N ATOM 0 H ARG B 13 6.192 -8.038 5.616 1.00 12.90 H new ATOM 0 HA ARG B 13 5.355 -8.855 3.179 1.00 15.65 H new ATOM 0 HB2 ARG B 13 7.600 -8.112 3.557 1.00 21.25 H new ATOM 0 HB3 ARG B 13 7.873 -9.458 4.296 1.00 21.25 H new ATOM 0 HG2 ARG B 13 7.763 -10.679 2.359 1.00 29.14 H new ATOM 0 HG3 ARG B 13 7.024 -9.541 1.591 1.00 29.14 H new ATOM 0 HD2 ARG B 13 8.975 -9.289 0.605 1.00 38.84 H new ATOM 0 HD3 ARG B 13 9.287 -8.383 1.836 1.00 38.84 H new ATOM 0 HE ARG B 13 10.002 -10.864 2.429 1.00 44.19 H new ATOM 0 HH11 ARG B 13 11.373 -8.452 0.536 1.00 42.80 H new ATOM 0 HH12 ARG B 13 12.761 -8.984 0.629 1.00 42.80 H new ATOM 0 HH21 ARG B 13 12.107 -11.605 2.522 1.00 53.25 H new ATOM 0 HH22 ARG B 13 13.201 -10.876 1.820 1.00 53.25 H new ATOM 1137 N ASN B 14 5.540 -11.058 5.514 1.00 13.48 N ATOM 1138 CA ASN B 14 5.376 -12.471 5.874 1.00 13.95 C ATOM 1139 C ASN B 14 4.642 -12.657 7.204 1.00 14.73 C ATOM 1140 O ASN B 14 5.236 -12.460 8.303 1.00 13.65 O ATOM 1141 CB ASN B 14 6.771 -13.184 5.904 1.00 15.68 C ATOM 1142 CG ASN B 14 6.643 -14.717 6.084 1.00 16.54 C ATOM 1143 OD1 ASN B 14 6.418 -15.230 7.198 1.00 14.53 O ATOM 1144 ND2 ASN B 14 6.716 -15.427 4.992 1.00 16.18 N ATOM 0 H ASN B 14 5.678 -10.536 6.184 1.00 13.48 H new ATOM 0 HA ASN B 14 4.822 -12.881 5.192 1.00 13.95 H new ATOM 0 HB2 ASN B 14 7.246 -12.996 5.080 1.00 15.68 H new ATOM 0 HB3 ASN B 14 7.303 -12.819 6.628 1.00 15.68 H new ATOM 0 HD21 ASN B 14 6.607 -16.279 5.025 1.00 16.18 H new ATOM 0 HD22 ASN B 14 6.873 -15.043 4.239 1.00 16.18 H new ATOM 1145 N LEU B 15 3.381 -13.083 7.100 1.00 13.97 N ATOM 1146 CA LEU B 15 2.492 -13.133 8.184 1.00 14.53 C ATOM 1147 C LEU B 15 3.025 -13.980 9.282 1.00 12.99 C ATOM 1148 O LEU B 15 2.942 -13.572 10.420 1.00 11.32 O ATOM 1149 CB LEU B 15 1.133 -13.689 7.785 1.00 17.40 C ATOM 1150 CG LEU B 15 0.135 -12.622 7.423 1.00 20.27 C ATOM 1151 CD1 LEU B 15 -1.160 -13.291 6.915 1.00 22.31 C ATOM 1152 CD2 LEU B 15 -0.048 -11.666 8.581 1.00 19.61 C ATOM 0 H LEU B 15 3.037 -13.353 6.360 1.00 13.97 H new ATOM 0 HA LEU B 15 2.391 -12.217 8.485 1.00 14.53 H new ATOM 0 HB2 LEU B 15 1.245 -14.288 7.030 1.00 17.40 H new ATOM 0 HB3 LEU B 15 0.780 -14.218 8.517 1.00 17.40 H new ATOM 0 HG LEU B 15 0.456 -12.071 6.692 1.00 20.27 H new ATOM 0 HD11 LEU B 15 -1.807 -12.607 6.680 1.00 22.31 H new ATOM 0 HD12 LEU B 15 -0.961 -13.830 6.133 1.00 22.31 H new ATOM 0 HD13 LEU B 15 -1.527 -13.857 7.612 1.00 22.31 H new ATOM 0 HD21 LEU B 15 -0.692 -10.983 8.338 1.00 19.61 H new ATOM 0 HD22 LEU B 15 -0.370 -12.153 9.355 1.00 19.61 H new ATOM 0 HD23 LEU B 15 0.801 -11.248 8.793 1.00 19.61 H new ATOM 1153 N ASN B 16 3.548 -15.156 8.925 1.00 11.83 N ATOM 1154 CA ASN B 16 4.033 -16.136 9.931 1.00 11.05 C ATOM 1155 C ASN B 16 5.205 -15.554 10.757 1.00 9.45 C ATOM 1156 O ASN B 16 5.329 -15.822 11.960 1.00 8.84 O ATOM 1157 CB ASN B 16 4.450 -17.475 9.277 1.00 11.75 C ATOM 1158 CG ASN B 16 3.209 -18.329 8.853 1.00 13.80 C ATOM 1159 OD1 ASN B 16 3.332 -19.287 8.085 1.00 15.88 O ATOM 1160 ND2 ASN B 16 2.043 -17.998 9.386 1.00 11.06 N ATOM 0 H ASN B 16 3.635 -15.414 8.109 1.00 11.83 H new ATOM 0 HA ASN B 16 3.292 -16.316 10.530 1.00 11.05 H new ATOM 0 HB2 ASN B 16 5.001 -17.297 8.499 1.00 11.75 H new ATOM 0 HB3 ASN B 16 4.994 -17.983 9.899 1.00 11.75 H new ATOM 0 HD21 ASN B 16 1.340 -18.456 9.200 1.00 11.06 H new ATOM 0 HD22 ASN B 16 1.989 -17.325 9.918 1.00 11.06 H new ATOM 1161 N ASP B 17 6.091 -14.881 10.069 1.00 8.82 N ATOM 1162 CA ASP B 17 7.146 -14.167 10.755 1.00 10.66 C ATOM 1163 C ASP B 17 6.603 -13.096 11.687 1.00 9.50 C ATOM 1164 O ASP B 17 7.052 -12.966 12.840 1.00 10.73 O ATOM 1165 CB ASP B 17 8.109 -13.514 9.747 1.00 10.20 C ATOM 1166 CG ASP B 17 9.046 -14.521 9.103 1.00 11.06 C ATOM 1167 OD1 ASP B 17 9.688 -14.132 8.127 1.00 12.95 O ATOM 1168 OD2 ASP B 17 9.202 -15.661 9.545 1.00 11.40 O ATOM 0 H ASP B 17 6.105 -14.821 9.211 1.00 8.82 H new ATOM 0 HA ASP B 17 7.622 -14.823 11.288 1.00 10.66 H new ATOM 0 HB2 ASP B 17 7.595 -13.067 9.056 1.00 10.20 H new ATOM 0 HB3 ASP B 17 8.632 -12.833 10.198 1.00 10.20 H new ATOM 1169 N SER B 18 5.641 -12.305 11.214 1.00 9.94 N ATOM 1170 CA SER B 18 5.048 -11.265 12.095 1.00 9.94 C ATOM 1171 C SER B 18 4.251 -11.835 13.208 1.00 10.88 C ATOM 1172 O SER B 18 4.284 -11.304 14.335 1.00 10.37 O ATOM 1173 CB SER B 18 4.197 -10.294 11.260 1.00 10.76 C ATOM 1174 OG SER B 18 5.037 -9.742 10.253 1.00 11.42 O ATOM 0 H SER B 18 5.319 -12.341 10.417 1.00 9.94 H new ATOM 0 HA SER B 18 5.784 -10.784 12.505 1.00 9.94 H new ATOM 0 HB2 SER B 18 3.445 -10.758 10.860 1.00 10.76 H new ATOM 0 HB3 SER B 18 3.831 -9.592 11.821 1.00 10.76 H new ATOM 0 HG SER B 18 5.390 -9.035 10.538 1.00 11.42 H new ATOM 1175 N ILE B 19 3.514 -12.926 12.968 1.00 10.31 N ATOM 1176 CA ILE B 19 2.876 -13.596 14.127 1.00 10.42 C ATOM 1177 C ILE B 19 3.850 -14.035 15.265 1.00 9.86 C ATOM 1178 O ILE B 19 3.584 -13.816 16.483 1.00 9.57 O ATOM 1179 CB ILE B 19 2.032 -14.820 13.669 1.00 9.72 C ATOM 1180 CG1 ILE B 19 0.875 -14.314 12.755 1.00 10.45 C ATOM 1181 CG2 ILE B 19 1.537 -15.630 14.909 1.00 11.77 C ATOM 1182 CD1 ILE B 19 0.117 -15.421 12.048 1.00 10.94 C ATOM 0 H ILE B 19 3.373 -13.281 12.198 1.00 10.31 H new ATOM 0 HA ILE B 19 2.307 -12.911 14.512 1.00 10.42 H new ATOM 0 HB ILE B 19 2.569 -15.436 13.147 1.00 9.72 H new ATOM 0 HG12 ILE B 19 0.252 -13.800 13.292 1.00 10.45 H new ATOM 0 HG13 ILE B 19 1.241 -13.710 12.090 1.00 10.45 H new ATOM 0 HG21 ILE B 19 1.013 -16.390 14.611 1.00 11.77 H new ATOM 0 HG22 ILE B 19 2.301 -15.944 15.417 1.00 11.77 H new ATOM 0 HG23 ILE B 19 0.989 -15.060 15.471 1.00 11.77 H new ATOM 0 HD11 ILE B 19 -0.584 -15.035 11.500 1.00 10.94 H new ATOM 0 HD12 ILE B 19 0.727 -15.923 11.485 1.00 10.94 H new ATOM 0 HD13 ILE B 19 -0.278 -16.015 12.706 1.00 10.94 H new ATOM 1183 N HIS B 20 4.926 -14.692 14.875 1.00 10.51 N ATOM 1184 CA HIS B 20 5.980 -15.038 15.806 1.00 11.13 C ATOM 1185 C HIS B 20 6.481 -13.785 16.545 1.00 10.47 C ATOM 1186 O HIS B 20 6.592 -13.798 17.721 1.00 12.35 O ATOM 1187 CB HIS B 20 7.178 -15.637 15.054 1.00 11.49 C ATOM 1188 CG HIS B 20 8.384 -15.843 15.953 1.00 11.81 C ATOM 1189 ND1 HIS B 20 8.344 -16.650 16.998 1.00 12.67 N ATOM 1190 CD2 HIS B 20 9.693 -15.338 15.888 1.00 14.10 C ATOM 1191 CE1 HIS B 20 9.544 -16.669 17.628 1.00 12.30 C ATOM 1192 NE2 HIS B 20 10.378 -15.879 16.946 1.00 14.57 N ATOM 0 H HIS B 20 5.066 -14.949 14.066 1.00 10.51 H new ATOM 0 HA HIS B 20 5.615 -15.679 16.436 1.00 11.13 H new ATOM 0 HB2 HIS B 20 6.920 -16.487 14.665 1.00 11.49 H new ATOM 0 HB3 HIS B 20 7.421 -15.051 14.320 1.00 11.49 H new ATOM 0 HD1 HIS B 20 7.654 -17.100 17.244 1.00 12.67 H new ATOM 0 HD2 HIS B 20 10.030 -14.750 15.251 1.00 14.10 H new ATOM 0 HE1 HIS B 20 9.750 -17.147 18.398 1.00 12.30 H new ATOM 1193 N PHE B 21 6.728 -12.689 15.849 1.00 9.34 N ATOM 1194 CA PHE B 21 7.163 -11.432 16.517 1.00 10.54 C ATOM 1195 C PHE B 21 6.159 -10.875 17.482 1.00 10.08 C ATOM 1196 O PHE B 21 6.466 -10.621 18.713 1.00 9.75 O ATOM 1197 CB PHE B 21 7.507 -10.347 15.462 1.00 10.81 C ATOM 1198 CG PHE B 21 8.096 -9.069 16.061 1.00 12.02 C ATOM 1199 CD1 PHE B 21 9.480 -8.987 16.341 1.00 12.90 C ATOM 1200 CD2 PHE B 21 7.311 -7.955 16.319 1.00 11.90 C ATOM 1201 CE1 PHE B 21 10.055 -7.827 16.817 1.00 12.24 C ATOM 1202 CE2 PHE B 21 7.882 -6.784 16.846 1.00 13.03 C ATOM 1203 CZ PHE B 21 9.267 -6.723 17.111 1.00 11.52 C ATOM 0 H PHE B 21 6.656 -12.633 14.994 1.00 9.34 H new ATOM 0 HA PHE B 21 7.949 -11.672 17.032 1.00 10.54 H new ATOM 0 HB2 PHE B 21 8.138 -10.716 14.825 1.00 10.81 H new ATOM 0 HB3 PHE B 21 6.703 -10.122 14.968 1.00 10.81 H new ATOM 0 HD1 PHE B 21 10.016 -9.734 16.201 1.00 12.90 H new ATOM 0 HD2 PHE B 21 6.399 -7.983 16.142 1.00 11.90 H new ATOM 0 HE1 PHE B 21 10.976 -7.784 16.942 1.00 12.24 H new ATOM 0 HE2 PHE B 21 7.345 -6.045 17.021 1.00 13.03 H new ATOM 0 HZ PHE B 21 9.645 -5.956 17.476 1.00 11.52 H new ATOM 1204 N TYR B 22 4.940 -10.605 16.964 1.00 9.63 N ATOM 1205 CA TYR B 22 3.946 -9.935 17.859 1.00 11.29 C ATOM 1206 C TYR B 22 3.340 -10.838 18.927 1.00 10.85 C ATOM 1207 O TYR B 22 3.008 -10.406 20.112 1.00 11.09 O ATOM 1208 CB TYR B 22 2.836 -9.195 17.053 1.00 10.39 C ATOM 1209 CG TYR B 22 3.409 -8.019 16.346 1.00 9.95 C ATOM 1210 CD1 TYR B 22 3.518 -6.814 17.004 1.00 9.49 C ATOM 1211 CD2 TYR B 22 3.762 -8.101 14.980 1.00 9.78 C ATOM 1212 CE1 TYR B 22 4.064 -5.716 16.393 1.00 9.81 C ATOM 1213 CE2 TYR B 22 4.288 -6.992 14.303 1.00 9.11 C ATOM 1214 CZ TYR B 22 4.441 -5.800 15.032 1.00 9.48 C ATOM 1215 OH TYR B 22 4.994 -4.721 14.462 1.00 9.90 O ATOM 0 H TYR B 22 4.678 -10.782 16.164 1.00 9.63 H new ATOM 0 HA TYR B 22 4.466 -9.275 18.343 1.00 11.29 H new ATOM 0 HB2 TYR B 22 2.434 -9.802 16.412 1.00 10.39 H new ATOM 0 HB3 TYR B 22 2.130 -8.907 17.652 1.00 10.39 H new ATOM 0 HD1 TYR B 22 3.215 -6.744 17.880 1.00 9.49 H new ATOM 0 HD2 TYR B 22 3.644 -8.903 14.524 1.00 9.78 H new ATOM 0 HE1 TYR B 22 4.185 -4.925 16.867 1.00 9.81 H new ATOM 0 HE2 TYR B 22 4.527 -7.043 13.406 1.00 9.11 H new ATOM 0 HH TYR B 22 5.382 -4.947 13.752 1.00 9.90 H new ATOM 1216 N ARG B 23 3.226 -12.115 18.614 1.00 11.55 N ATOM 1217 CA ARG B 23 2.603 -13.007 19.586 1.00 12.46 C ATOM 1218 C ARG B 23 3.644 -13.744 20.430 1.00 12.90 C ATOM 1219 O ARG B 23 3.503 -13.839 21.629 1.00 14.07 O ATOM 1220 CB ARG B 23 1.632 -13.978 18.839 1.00 14.64 C ATOM 1221 CG ARG B 23 0.793 -14.873 19.695 1.00 16.32 C ATOM 1222 CD ARG B 23 1.508 -16.154 20.099 1.00 17.86 C ATOM 1223 NE ARG B 23 1.962 -16.947 18.960 1.00 19.99 N ATOM 1224 CZ ARG B 23 1.154 -17.581 18.117 1.00 19.35 C ATOM 1225 NH1 ARG B 23 -0.148 -17.496 18.259 1.00 22.56 N ATOM 1226 NH2 ARG B 23 1.654 -18.297 17.120 1.00 22.95 N ATOM 0 H ARG B 23 3.488 -12.478 17.880 1.00 11.55 H new ATOM 0 HA ARG B 23 2.085 -12.483 20.217 1.00 12.46 H new ATOM 0 HB2 ARG B 23 1.040 -13.447 18.283 1.00 14.64 H new ATOM 0 HB3 ARG B 23 2.158 -14.534 18.243 1.00 14.64 H new ATOM 0 HG2 ARG B 23 0.527 -14.391 20.494 1.00 16.32 H new ATOM 0 HG3 ARG B 23 -0.020 -15.100 19.217 1.00 16.32 H new ATOM 0 HD2 ARG B 23 2.272 -15.929 20.653 1.00 17.86 H new ATOM 0 HD3 ARG B 23 0.911 -16.692 20.642 1.00 17.86 H new ATOM 0 HE ARG B 23 2.809 -17.008 18.826 1.00 19.99 H new ATOM 0 HH11 ARG B 23 -0.481 -17.029 18.899 1.00 22.56 H new ATOM 0 HH12 ARG B 23 -0.668 -17.908 17.712 1.00 22.56 H new ATOM 0 HH21 ARG B 23 2.506 -18.353 17.016 1.00 22.95 H new ATOM 0 HH22 ARG B 23 1.127 -18.705 16.577 1.00 22.95 H new ATOM 1227 N ASP B 24 4.655 -14.347 19.829 1.00 13.15 N ATOM 1228 CA ASP B 24 5.606 -15.063 20.697 1.00 13.50 C ATOM 1229 C ASP B 24 6.591 -14.104 21.424 1.00 14.01 C ATOM 1230 O ASP B 24 6.736 -14.131 22.617 1.00 16.79 O ATOM 1231 CB ASP B 24 6.425 -15.983 19.830 1.00 13.50 C ATOM 1232 CG ASP B 24 5.570 -17.137 19.205 1.00 12.52 C ATOM 1233 OD1 ASP B 24 6.035 -17.736 18.246 1.00 13.27 O ATOM 1234 OD2 ASP B 24 4.546 -17.437 19.761 1.00 15.17 O ATOM 0 H ASP B 24 4.813 -14.363 18.984 1.00 13.15 H new ATOM 0 HA ASP B 24 5.093 -15.538 21.370 1.00 13.50 H new ATOM 0 HB2 ASP B 24 6.839 -15.469 19.119 1.00 13.50 H new ATOM 0 HB3 ASP B 24 7.143 -16.366 20.358 1.00 13.50 H new ATOM 1235 N ILE B 25 7.250 -13.259 20.692 1.00 13.10 N ATOM 1236 CA ILE B 25 8.301 -12.375 21.302 1.00 11.89 C ATOM 1237 C ILE B 25 7.652 -11.331 22.223 1.00 12.89 C ATOM 1238 O ILE B 25 8.069 -11.219 23.406 1.00 13.58 O ATOM 1239 CB ILE B 25 9.184 -11.754 20.239 1.00 11.29 C ATOM 1240 CG1 ILE B 25 9.803 -12.896 19.404 1.00 10.92 C ATOM 1241 CG2 ILE B 25 10.237 -10.767 20.855 1.00 11.05 C ATOM 1242 CD1 ILE B 25 10.772 -12.501 18.281 1.00 11.64 C ATOM 0 H ILE B 25 7.134 -13.153 19.846 1.00 13.10 H new ATOM 0 HA ILE B 25 8.886 -12.919 21.853 1.00 11.89 H new ATOM 0 HB ILE B 25 8.659 -11.195 19.645 1.00 11.29 H new ATOM 0 HG12 ILE B 25 10.272 -13.491 20.010 1.00 10.92 H new ATOM 0 HG13 ILE B 25 9.078 -13.406 19.010 1.00 10.92 H new ATOM 0 HG21 ILE B 25 10.782 -10.391 20.146 1.00 11.05 H new ATOM 0 HG22 ILE B 25 9.776 -10.052 21.322 1.00 11.05 H new ATOM 0 HG23 ILE B 25 10.805 -11.247 21.478 1.00 11.05 H new ATOM 0 HD11 ILE B 25 11.091 -13.300 17.833 1.00 11.64 H new ATOM 0 HD12 ILE B 25 10.313 -11.934 17.642 1.00 11.64 H new ATOM 0 HD13 ILE B 25 11.525 -12.019 18.658 1.00 11.64 H new ATOM 1243 N LEU B 26 6.673 -10.568 21.681 1.00 13.43 N ATOM 1244 CA LEU B 26 6.005 -9.463 22.416 1.00 12.87 C ATOM 1245 C LEU B 26 4.840 -9.879 23.247 1.00 11.56 C ATOM 1246 O LEU B 26 4.303 -9.066 23.986 1.00 10.87 O ATOM 1247 CB LEU B 26 5.626 -8.262 21.522 1.00 11.29 C ATOM 1248 CG LEU B 26 6.712 -7.571 20.680 1.00 12.04 C ATOM 1249 CD1 LEU B 26 6.073 -6.475 19.841 1.00 10.69 C ATOM 1250 CD2 LEU B 26 7.778 -6.934 21.634 1.00 12.49 C ATOM 0 H LEU B 26 6.380 -10.677 20.880 1.00 13.43 H new ATOM 0 HA LEU B 26 6.695 -9.170 23.032 1.00 12.87 H new ATOM 0 HB2 LEU B 26 4.932 -8.561 20.913 1.00 11.29 H new ATOM 0 HB3 LEU B 26 5.229 -7.587 22.095 1.00 11.29 H new ATOM 0 HG LEU B 26 7.139 -8.221 20.100 1.00 12.04 H new ATOM 0 HD11 LEU B 26 6.754 -6.036 19.308 1.00 10.69 H new ATOM 0 HD12 LEU B 26 5.405 -6.864 19.255 1.00 10.69 H new ATOM 0 HD13 LEU B 26 5.651 -5.825 20.424 1.00 10.69 H new ATOM 0 HD21 LEU B 26 8.465 -6.497 21.106 1.00 12.49 H new ATOM 0 HD22 LEU B 26 7.349 -6.282 22.209 1.00 12.49 H new ATOM 0 HD23 LEU B 26 8.182 -7.628 22.178 1.00 12.49 H new ATOM 1251 N LEU B 27 4.484 -11.170 23.174 1.00 12.54 N ATOM 1252 CA LEU B 27 3.485 -11.744 24.088 1.00 13.75 C ATOM 1253 C LEU B 27 2.095 -11.204 23.856 1.00 12.65 C ATOM 1254 O LEU B 27 1.277 -11.130 24.737 1.00 12.21 O ATOM 1255 CB LEU B 27 3.934 -11.651 25.587 1.00 15.17 C ATOM 1256 CG LEU B 27 5.188 -12.529 25.825 1.00 15.13 C ATOM 1257 CD1 LEU B 27 5.836 -12.352 27.240 1.00 13.54 C ATOM 1258 CD2 LEU B 27 4.812 -13.979 25.593 1.00 15.37 C ATOM 0 H LEU B 27 4.808 -11.727 22.605 1.00 12.54 H new ATOM 0 HA LEU B 27 3.433 -12.689 23.876 1.00 13.75 H new ATOM 0 HB2 LEU B 27 4.128 -10.729 25.817 1.00 15.17 H new ATOM 0 HB3 LEU B 27 3.212 -11.942 26.166 1.00 15.17 H new ATOM 0 HG LEU B 27 5.866 -12.237 25.196 1.00 15.13 H new ATOM 0 HD11 LEU B 27 6.611 -12.930 27.316 1.00 13.54 H new ATOM 0 HD12 LEU B 27 6.109 -11.429 27.358 1.00 13.54 H new ATOM 0 HD13 LEU B 27 5.190 -12.588 27.924 1.00 13.54 H new ATOM 0 HD21 LEU B 27 5.588 -14.542 25.738 1.00 15.37 H new ATOM 0 HD22 LEU B 27 4.108 -14.234 26.210 1.00 15.37 H new ATOM 0 HD23 LEU B 27 4.499 -14.090 24.682 1.00 15.37 H new ATOM 1259 N GLY B 28 1.791 -10.839 22.618 1.00 11.73 N ATOM 1260 CA GLY B 28 0.412 -10.378 22.313 1.00 12.06 C ATOM 1261 C GLY B 28 -0.451 -11.620 22.143 1.00 12.85 C ATOM 1262 O GLY B 28 0.082 -12.723 22.219 1.00 14.45 O ATOM 0 H GLY B 28 2.336 -10.844 21.952 1.00 11.73 H new ATOM 0 HA2 GLY B 28 0.071 -9.820 23.030 1.00 12.06 H new ATOM 0 HA3 GLY B 28 0.401 -9.841 21.505 1.00 12.06 H new ATOM 1263 N LYS B 29 -1.766 -11.447 22.000 1.00 13.44 N ATOM 1264 CA LYS B 29 -2.680 -12.617 21.767 1.00 16.29 C ATOM 1265 C LYS B 29 -3.173 -12.576 20.326 1.00 15.04 C ATOM 1266 O LYS B 29 -3.754 -11.543 19.905 1.00 14.64 O ATOM 1267 CB LYS B 29 -3.864 -12.596 22.713 1.00 20.02 C ATOM 1268 CG LYS B 29 -4.619 -13.944 22.831 1.00 24.63 C ATOM 1269 CD LYS B 29 -5.881 -13.801 23.668 1.00 33.21 C ATOM 1270 CE LYS B 29 -6.805 -15.012 23.567 1.00 34.58 C ATOM 1271 NZ LYS B 29 -5.968 -16.256 23.548 1.00 41.40 N ATOM 0 H LYS B 29 -2.160 -10.683 22.031 1.00 13.44 H new ATOM 0 HA LYS B 29 -2.185 -13.434 21.933 1.00 16.29 H new ATOM 0 HB2 LYS B 29 -3.554 -12.334 23.594 1.00 20.02 H new ATOM 0 HB3 LYS B 29 -4.487 -11.914 22.417 1.00 20.02 H new ATOM 0 HG2 LYS B 29 -4.851 -14.266 21.946 1.00 24.63 H new ATOM 0 HG3 LYS B 29 -4.037 -14.609 23.231 1.00 24.63 H new ATOM 0 HD2 LYS B 29 -5.634 -13.666 24.596 1.00 33.21 H new ATOM 0 HD3 LYS B 29 -6.363 -13.008 23.384 1.00 33.21 H new ATOM 0 HE2 LYS B 29 -7.418 -15.031 24.319 1.00 34.58 H new ATOM 0 HE3 LYS B 29 -7.344 -14.957 22.763 1.00 34.58 H new ATOM 0 HZ1 LYS B 29 -6.472 -16.957 23.765 1.00 41.40 H new ATOM 0 HZ2 LYS B 29 -5.631 -16.375 22.733 1.00 41.40 H new ATOM 0 HZ3 LYS B 29 -5.304 -16.176 24.135 1.00 41.40 H new ATOM 1272 N LEU B 30 -2.951 -13.674 19.604 1.00 13.58 N ATOM 1273 CA LEU B 30 -3.518 -13.874 18.278 1.00 15.32 C ATOM 1274 C LEU B 30 -5.034 -14.109 18.386 1.00 15.42 C ATOM 1275 O LEU B 30 -5.481 -15.035 19.055 1.00 15.63 O ATOM 1276 CB LEU B 30 -2.842 -15.031 17.587 1.00 13.90 C ATOM 1277 CG LEU B 30 -3.388 -15.310 16.182 1.00 16.37 C ATOM 1278 CD1 LEU B 30 -3.074 -14.189 15.171 1.00 15.43 C ATOM 1279 CD2 LEU B 30 -2.885 -16.638 15.632 1.00 18.24 C ATOM 0 H LEU B 30 -2.462 -14.328 19.875 1.00 13.58 H new ATOM 0 HA LEU B 30 -3.367 -13.077 17.746 1.00 15.32 H new ATOM 0 HB2 LEU B 30 -1.891 -14.851 17.526 1.00 13.90 H new ATOM 0 HB3 LEU B 30 -2.946 -15.828 18.130 1.00 13.90 H new ATOM 0 HG LEU B 30 -4.351 -15.350 16.291 1.00 16.37 H new ATOM 0 HD11 LEU B 30 -3.443 -14.422 14.305 1.00 15.43 H new ATOM 0 HD12 LEU B 30 -3.468 -13.357 15.477 1.00 15.43 H new ATOM 0 HD13 LEU B 30 -2.113 -14.082 15.094 1.00 15.43 H new ATOM 0 HD21 LEU B 30 -3.250 -16.780 14.745 1.00 18.24 H new ATOM 0 HD22 LEU B 30 -1.916 -16.623 15.584 1.00 18.24 H new ATOM 0 HD23 LEU B 30 -3.168 -17.359 16.217 1.00 18.24 H new ATOM 1280 N LEU B 31 -5.806 -13.263 17.738 1.00 18.14 N ATOM 1281 CA LEU B 31 -7.287 -13.352 17.861 1.00 16.86 C ATOM 1282 C LEU B 31 -7.968 -13.957 16.623 1.00 18.19 C ATOM 1283 O LEU B 31 -9.038 -14.573 16.735 1.00 20.89 O ATOM 1284 CB LEU B 31 -7.782 -11.973 18.038 1.00 19.06 C ATOM 1285 CG LEU B 31 -8.029 -11.521 19.503 1.00 23.38 C ATOM 1286 CD1 LEU B 31 -9.559 -11.563 19.675 1.00 25.81 C ATOM 1287 CD2 LEU B 31 -7.516 -12.467 20.555 1.00 23.81 C ATOM 0 H LEU B 31 -5.520 -12.634 17.226 1.00 18.14 H new ATOM 0 HA LEU B 31 -7.497 -13.935 18.607 1.00 16.86 H new ATOM 0 HB2 LEU B 31 -7.143 -11.365 17.634 1.00 19.06 H new ATOM 0 HB3 LEU B 31 -8.613 -11.881 17.545 1.00 19.06 H new ATOM 0 HG LEU B 31 -7.584 -10.667 19.623 1.00 23.38 H new ATOM 0 HD11 LEU B 31 -9.791 -11.290 20.576 1.00 25.81 H new ATOM 0 HD12 LEU B 31 -9.973 -10.960 19.038 1.00 25.81 H new ATOM 0 HD13 LEU B 31 -9.878 -12.466 19.519 1.00 25.81 H new ATOM 0 HD21 LEU B 31 -7.711 -12.109 21.435 1.00 23.81 H new ATOM 0 HD22 LEU B 31 -7.949 -13.329 20.454 1.00 23.81 H new ATOM 0 HD23 LEU B 31 -6.557 -12.573 20.455 1.00 23.81 H new ATOM 1288 N LEU B 32 -7.403 -13.705 15.442 1.00 15.92 N ATOM 1289 CA LEU B 32 -8.067 -14.092 14.195 1.00 18.45 C ATOM 1290 C LEU B 32 -7.043 -14.040 13.106 1.00 14.94 C ATOM 1291 O LEU B 32 -6.113 -13.180 13.119 1.00 14.64 O ATOM 1292 CB LEU B 32 -9.250 -13.112 13.880 1.00 20.03 C ATOM 1293 CG LEU B 32 -9.839 -13.081 12.465 1.00 25.07 C ATOM 1294 CD1 LEU B 32 -10.799 -14.239 12.302 1.00 23.25 C ATOM 1295 CD2 LEU B 32 -10.599 -11.769 12.243 1.00 28.80 C ATOM 0 H LEU B 32 -6.643 -13.315 15.340 1.00 15.92 H new ATOM 0 HA LEU B 32 -8.438 -14.985 14.270 1.00 18.45 H new ATOM 0 HB2 LEU B 32 -9.973 -13.320 14.493 1.00 20.03 H new ATOM 0 HB3 LEU B 32 -8.949 -12.214 14.091 1.00 20.03 H new ATOM 0 HG LEU B 32 -9.119 -13.149 11.818 1.00 25.07 H new ATOM 0 HD11 LEU B 32 -11.175 -14.224 11.408 1.00 23.25 H new ATOM 0 HD12 LEU B 32 -10.325 -15.074 12.440 1.00 23.25 H new ATOM 0 HD13 LEU B 32 -11.513 -14.162 12.954 1.00 23.25 H new ATOM 0 HD21 LEU B 32 -10.969 -11.757 11.346 1.00 28.80 H new ATOM 0 HD22 LEU B 32 -11.318 -11.698 12.890 1.00 28.80 H new ATOM 0 HD23 LEU B 32 -9.992 -11.021 12.352 1.00 28.80 H new ATOM 1296 N THR B 33 -7.175 -14.949 12.154 1.00 13.48 N ATOM 1297 CA THR B 33 -6.452 -14.815 10.893 1.00 14.66 C ATOM 1298 C THR B 33 -7.411 -15.010 9.685 1.00 18.62 C ATOM 1299 O THR B 33 -8.440 -15.688 9.779 1.00 19.54 O ATOM 1300 CB THR B 33 -5.357 -15.872 10.746 1.00 15.10 C ATOM 1301 OG1 THR B 33 -5.936 -17.180 10.814 1.00 14.02 O ATOM 1302 CG2 THR B 33 -4.190 -15.707 11.818 1.00 14.21 C ATOM 0 H THR B 33 -7.673 -15.647 12.213 1.00 13.48 H new ATOM 0 HA THR B 33 -6.064 -13.926 10.902 1.00 14.66 H new ATOM 0 HB THR B 33 -4.944 -15.746 9.877 1.00 15.10 H new ATOM 0 HG1 THR B 33 -6.115 -17.448 10.038 1.00 14.02 H new ATOM 0 HG21 THR B 33 -3.524 -16.399 11.681 1.00 14.21 H new ATOM 0 HG22 THR B 33 -3.776 -14.836 11.714 1.00 14.21 H new ATOM 0 HG23 THR B 33 -4.558 -15.785 12.712 1.00 14.21 H new ATOM 1303 N GLY B 34 -7.029 -14.405 8.585 1.00 22.18 N ATOM 1304 CA GLY B 34 -7.539 -14.788 7.273 1.00 25.25 C ATOM 1305 C GLY B 34 -6.388 -15.113 6.387 1.00 27.87 C ATOM 1306 O GLY B 34 -5.213 -15.175 6.822 1.00 29.92 O ATOM 0 H GLY B 34 -6.464 -13.757 8.568 1.00 22.18 H new ATOM 0 HA2 GLY B 34 -8.128 -15.554 7.352 1.00 25.25 H new ATOM 0 HA3 GLY B 34 -8.062 -14.066 6.892 1.00 25.25 H new ATOM 1307 N LYS B 35 -6.715 -15.312 5.103 1.00 29.93 N ATOM 1308 CA LYS B 35 -5.724 -15.619 4.087 1.00 28.71 C ATOM 1309 C LYS B 35 -4.511 -14.658 4.088 1.00 28.36 C ATOM 1310 O LYS B 35 -3.336 -15.071 3.883 1.00 31.00 O ATOM 1311 CB LYS B 35 -6.434 -15.653 2.678 1.00 30.80 C ATOM 1312 CG LYS B 35 -7.478 -14.522 2.412 1.00 34.84 C ATOM 1313 CD LYS B 35 -8.340 -14.028 3.620 1.00 34.23 C ATOM 1314 CE LYS B 35 -8.336 -12.501 3.818 1.00 35.30 C ATOM 1315 NZ LYS B 35 -6.960 -12.021 4.208 1.00 29.93 N ATOM 0 H LYS B 35 -7.521 -15.271 4.806 1.00 29.93 H new ATOM 0 HA LYS B 35 -5.350 -16.490 4.294 1.00 28.71 H new ATOM 0 HB2 LYS B 35 -5.752 -15.607 1.990 1.00 30.80 H new ATOM 0 HB3 LYS B 35 -6.879 -16.509 2.580 1.00 30.80 H new ATOM 0 HG2 LYS B 35 -7.003 -13.757 2.052 1.00 34.84 H new ATOM 0 HG3 LYS B 35 -8.084 -14.832 1.720 1.00 34.84 H new ATOM 0 HD2 LYS B 35 -9.255 -14.325 3.494 1.00 34.23 H new ATOM 0 HD3 LYS B 35 -8.014 -14.450 4.430 1.00 34.23 H new ATOM 0 HE2 LYS B 35 -8.617 -12.063 3.000 1.00 35.30 H new ATOM 0 HE3 LYS B 35 -8.976 -12.257 4.505 1.00 35.30 H new ATOM 0 HZ1 LYS B 35 -7.005 -11.172 4.473 1.00 29.93 H new ATOM 0 HZ2 LYS B 35 -6.648 -12.523 4.874 1.00 29.93 H new ATOM 0 HZ3 LYS B 35 -6.414 -12.084 3.508 1.00 29.93 H new ATOM 1316 N LYS B 36 -4.789 -13.367 4.240 1.00 22.62 N ATOM 1317 CA LYS B 36 -3.703 -12.393 4.166 1.00 20.33 C ATOM 1318 C LYS B 36 -3.718 -11.385 5.346 1.00 17.64 C ATOM 1319 O LYS B 36 -3.228 -10.269 5.194 1.00 19.56 O ATOM 1320 CB LYS B 36 -3.705 -11.632 2.834 1.00 21.83 C ATOM 1321 CG LYS B 36 -3.477 -12.452 1.541 1.00 26.41 C ATOM 1322 CD LYS B 36 -2.407 -11.853 0.611 1.00 29.89 C ATOM 1323 CE LYS B 36 -1.090 -12.592 0.906 1.00 33.22 C ATOM 1324 NZ LYS B 36 0.204 -12.104 0.380 1.00 29.11 N ATOM 0 H LYS B 36 -5.572 -13.041 4.382 1.00 22.62 H new ATOM 0 HA LYS B 36 -2.886 -12.912 4.228 1.00 20.33 H new ATOM 0 HB2 LYS B 36 -4.557 -11.175 2.752 1.00 21.83 H new ATOM 0 HB3 LYS B 36 -3.019 -10.948 2.879 1.00 21.83 H new ATOM 0 HG2 LYS B 36 -3.217 -13.355 1.782 1.00 26.41 H new ATOM 0 HG3 LYS B 36 -4.315 -12.518 1.057 1.00 26.41 H new ATOM 0 HD2 LYS B 36 -2.661 -11.962 -0.319 1.00 29.89 H new ATOM 0 HD3 LYS B 36 -2.309 -10.901 0.769 1.00 29.89 H new ATOM 0 HE2 LYS B 36 -1.003 -12.639 1.871 1.00 33.22 H new ATOM 0 HE3 LYS B 36 -1.199 -13.501 0.587 1.00 33.22 H new ATOM 0 HZ1 LYS B 36 0.609 -12.759 -0.066 1.00 29.11 H new ATOM 0 HZ2 LYS B 36 0.062 -11.416 -0.167 1.00 29.11 H new ATOM 0 HZ3 LYS B 36 0.720 -11.843 1.056 1.00 29.11 H new ATOM 1325 N THR B 37 -4.219 -11.838 6.487 1.00 16.69 N ATOM 1326 CA THR B 37 -4.650 -10.972 7.552 1.00 17.32 C ATOM 1327 C THR B 37 -4.439 -11.667 8.879 1.00 15.18 C ATOM 1328 O THR B 37 -4.617 -12.922 8.972 1.00 14.67 O ATOM 1329 CB THR B 37 -6.114 -10.650 7.184 1.00 19.87 C ATOM 1330 OG1 THR B 37 -6.208 -9.285 6.738 1.00 27.81 O ATOM 1331 CG2 THR B 37 -6.992 -10.904 8.160 1.00 16.89 C ATOM 0 H THR B 37 -4.317 -12.675 6.660 1.00 16.69 H new ATOM 0 HA THR B 37 -4.155 -10.144 7.651 1.00 17.32 H new ATOM 0 HB THR B 37 -6.362 -11.251 6.464 1.00 19.87 H new ATOM 0 HG1 THR B 37 -7.004 -9.110 6.536 1.00 27.81 H new ATOM 0 HG21 THR B 37 -7.886 -10.679 7.858 1.00 16.89 H new ATOM 0 HG22 THR B 37 -6.957 -11.846 8.390 1.00 16.89 H new ATOM 0 HG23 THR B 37 -6.771 -10.372 8.941 1.00 16.89 H new ATOM 1332 N ALA B 38 -3.977 -10.906 9.891 1.00 13.91 N ATOM 1333 CA ALA B 38 -3.977 -11.406 11.304 1.00 11.65 C ATOM 1334 C ALA B 38 -4.279 -10.266 12.277 1.00 12.55 C ATOM 1335 O ALA B 38 -3.815 -9.111 12.101 1.00 12.18 O ATOM 1336 CB ALA B 38 -2.637 -12.071 11.673 1.00 12.46 C ATOM 0 H ALA B 38 -3.663 -10.111 9.793 1.00 13.91 H new ATOM 0 HA ALA B 38 -4.674 -12.077 11.373 1.00 11.65 H new ATOM 0 HB1 ALA B 38 -2.672 -12.382 12.591 1.00 12.46 H new ATOM 0 HB2 ALA B 38 -2.476 -12.824 11.083 1.00 12.46 H new ATOM 0 HB3 ALA B 38 -1.918 -11.426 11.578 1.00 12.46 H new ATOM 1337 N TYR B 39 -4.953 -10.586 13.356 1.00 12.32 N ATOM 1338 CA TYR B 39 -5.266 -9.553 14.340 1.00 13.90 C ATOM 1339 C TYR B 39 -4.845 -10.039 15.695 1.00 13.53 C ATOM 1340 O TYR B 39 -4.997 -11.223 15.994 1.00 14.22 O ATOM 1341 CB TYR B 39 -6.756 -9.401 14.429 1.00 16.16 C ATOM 1342 CG TYR B 39 -7.363 -9.004 13.128 1.00 18.10 C ATOM 1343 CD1 TYR B 39 -7.537 -7.659 12.829 1.00 20.16 C ATOM 1344 CD2 TYR B 39 -7.654 -9.953 12.145 1.00 20.87 C ATOM 1345 CE1 TYR B 39 -8.091 -7.248 11.625 1.00 22.58 C ATOM 1346 CE2 TYR B 39 -8.213 -9.545 10.918 1.00 24.61 C ATOM 1347 CZ TYR B 39 -8.422 -8.175 10.684 1.00 24.36 C ATOM 1348 OH TYR B 39 -8.975 -7.732 9.481 1.00 31.07 O ATOM 0 H TYR B 39 -5.238 -11.375 13.545 1.00 12.32 H new ATOM 0 HA TYR B 39 -4.824 -8.728 14.084 1.00 13.90 H new ATOM 0 HB2 TYR B 39 -7.147 -10.238 14.724 1.00 16.16 H new ATOM 0 HB3 TYR B 39 -6.971 -8.735 15.101 1.00 16.16 H new ATOM 0 HD1 TYR B 39 -7.276 -7.018 13.451 1.00 20.16 H new ATOM 0 HD2 TYR B 39 -7.479 -10.853 12.300 1.00 20.87 H new ATOM 0 HE1 TYR B 39 -8.236 -6.344 11.462 1.00 22.58 H new ATOM 0 HE2 TYR B 39 -8.441 -10.174 10.272 1.00 24.61 H new ATOM 0 HH TYR B 39 -9.134 -8.392 8.986 1.00 31.07 H new ATOM 1349 N PHE B 40 -4.377 -9.098 16.510 1.00 14.71 N ATOM 1350 CA PHE B 40 -3.799 -9.388 17.833 1.00 14.23 C ATOM 1351 C PHE B 40 -4.389 -8.401 18.824 1.00 13.26 C ATOM 1352 O PHE B 40 -4.702 -7.284 18.446 1.00 14.28 O ATOM 1353 CB PHE B 40 -2.274 -9.097 17.791 1.00 15.62 C ATOM 1354 CG PHE B 40 -1.539 -9.884 16.761 1.00 15.66 C ATOM 1355 CD1 PHE B 40 -0.970 -11.102 17.066 1.00 16.58 C ATOM 1356 CD2 PHE B 40 -1.390 -9.371 15.493 1.00 16.50 C ATOM 1357 CE1 PHE B 40 -0.244 -11.814 16.080 1.00 16.05 C ATOM 1358 CE2 PHE B 40 -0.731 -10.103 14.475 1.00 17.56 C ATOM 1359 CZ PHE B 40 -0.140 -11.316 14.768 1.00 16.44 C ATOM 0 H PHE B 40 -4.384 -8.261 16.313 1.00 14.71 H new ATOM 0 HA PHE B 40 -3.978 -10.310 18.076 1.00 14.23 H new ATOM 0 HB2 PHE B 40 -2.138 -8.152 17.621 1.00 15.62 H new ATOM 0 HB3 PHE B 40 -1.893 -9.286 18.663 1.00 15.62 H new ATOM 0 HD1 PHE B 40 -1.063 -11.457 17.921 1.00 16.58 H new ATOM 0 HD2 PHE B 40 -1.729 -8.527 15.300 1.00 16.50 H new ATOM 0 HE1 PHE B 40 0.168 -12.618 16.302 1.00 16.05 H new ATOM 0 HE2 PHE B 40 -0.696 -9.766 13.609 1.00 17.56 H new ATOM 0 HZ PHE B 40 0.316 -11.793 14.113 1.00 16.44 H new ATOM 1360 N GLU B 41 -4.438 -8.763 20.077 1.00 14.36 N ATOM 1361 CA GLU B 41 -4.497 -7.791 21.102 1.00 14.76 C ATOM 1362 C GLU B 41 -3.106 -7.668 21.757 1.00 15.10 C ATOM 1363 O GLU B 41 -2.484 -8.678 22.119 1.00 13.66 O ATOM 1364 CB GLU B 41 -5.544 -8.143 22.178 1.00 16.78 C ATOM 1365 CG GLU B 41 -5.862 -6.906 22.953 1.00 21.23 C ATOM 1366 CD GLU B 41 -7.040 -7.020 23.881 1.00 29.29 C ATOM 1367 OE1 GLU B 41 -6.863 -6.644 25.059 1.00 33.75 O ATOM 1368 OE2 GLU B 41 -8.137 -7.462 23.454 1.00 38.65 O ATOM 0 H GLU B 41 -4.438 -9.579 20.350 1.00 14.36 H new ATOM 0 HA GLU B 41 -4.764 -6.949 20.702 1.00 14.76 H new ATOM 0 HB2 GLU B 41 -6.347 -8.497 21.764 1.00 16.78 H new ATOM 0 HB3 GLU B 41 -5.202 -8.832 22.769 1.00 16.78 H new ATOM 0 HG2 GLU B 41 -5.082 -6.657 23.472 1.00 21.23 H new ATOM 0 HG3 GLU B 41 -6.029 -6.183 22.328 1.00 21.23 H new ATOM 1369 N LEU B 42 -2.614 -6.435 21.914 1.00 14.29 N ATOM 1370 CA LEU B 42 -1.279 -6.267 22.507 1.00 13.37 C ATOM 1371 C LEU B 42 -1.278 -4.992 23.326 1.00 14.96 C ATOM 1372 O LEU B 42 -1.602 -3.915 22.744 1.00 14.19 O ATOM 1373 CB LEU B 42 -0.264 -6.168 21.355 1.00 13.74 C ATOM 1374 CG LEU B 42 1.166 -5.836 21.865 1.00 16.19 C ATOM 1375 CD1 LEU B 42 1.774 -7.081 22.543 1.00 13.85 C ATOM 1376 CD2 LEU B 42 2.078 -5.482 20.682 1.00 15.65 C ATOM 0 H LEU B 42 -3.017 -5.708 21.694 1.00 14.29 H new ATOM 0 HA LEU B 42 -1.046 -7.012 23.083 1.00 13.37 H new ATOM 0 HB2 LEU B 42 -0.246 -7.007 20.868 1.00 13.74 H new ATOM 0 HB3 LEU B 42 -0.551 -5.483 20.730 1.00 13.74 H new ATOM 0 HG LEU B 42 1.102 -5.093 22.485 1.00 16.19 H new ATOM 0 HD11 LEU B 42 2.666 -6.873 22.861 1.00 13.85 H new ATOM 0 HD12 LEU B 42 1.218 -7.346 23.292 1.00 13.85 H new ATOM 0 HD13 LEU B 42 1.821 -7.808 21.903 1.00 13.85 H new ATOM 0 HD21 LEU B 42 2.968 -5.276 21.009 1.00 15.65 H new ATOM 0 HD22 LEU B 42 2.124 -6.235 20.072 1.00 15.65 H new ATOM 0 HD23 LEU B 42 1.719 -4.711 20.216 1.00 15.65 H new ATOM 1377 N ALA B 43 -0.936 -5.086 24.642 1.00 15.18 N ATOM 1378 CA ALA B 43 -0.901 -3.901 25.497 1.00 15.29 C ATOM 1379 C ALA B 43 -2.293 -3.199 25.517 1.00 16.62 C ATOM 1380 O ALA B 43 -2.385 -1.965 25.509 1.00 16.18 O ATOM 1381 CB ALA B 43 0.167 -2.943 24.970 1.00 13.06 C ATOM 0 H ALA B 43 -0.727 -5.821 25.037 1.00 15.18 H new ATOM 0 HA ALA B 43 -0.685 -4.165 26.405 1.00 15.29 H new ATOM 0 HB1 ALA B 43 0.198 -2.152 25.531 1.00 13.06 H new ATOM 0 HB2 ALA B 43 1.031 -3.383 24.983 1.00 13.06 H new ATOM 0 HB3 ALA B 43 -0.050 -2.685 24.060 1.00 13.06 H new ATOM 1382 N GLY B 44 -3.366 -3.974 25.455 1.00 18.30 N ATOM 1383 CA GLY B 44 -4.703 -3.383 25.402 1.00 18.58 C ATOM 1384 C GLY B 44 -5.065 -2.785 24.053 1.00 22.46 C ATOM 1385 O GLY B 44 -6.078 -2.126 23.961 1.00 28.13 O ATOM 0 H GLY B 44 -3.348 -4.834 25.442 1.00 18.30 H new ATOM 0 HA2 GLY B 44 -5.356 -4.064 25.629 1.00 18.58 H new ATOM 0 HA3 GLY B 44 -4.767 -2.691 26.079 1.00 18.58 H new ATOM 1386 N LEU B 45 -4.264 -2.993 23.010 1.00 21.34 N ATOM 1387 CA LEU B 45 -4.493 -2.348 21.712 1.00 24.49 C ATOM 1388 C LEU B 45 -4.777 -3.441 20.679 1.00 24.06 C ATOM 1389 O LEU B 45 -4.271 -4.569 20.784 1.00 26.20 O ATOM 1390 CB LEU B 45 -3.236 -1.519 21.308 1.00 26.08 C ATOM 1391 CG LEU B 45 -2.878 -1.046 19.894 1.00 29.70 C ATOM 1392 CD1 LEU B 45 -3.775 0.101 19.406 1.00 30.88 C ATOM 1393 CD2 LEU B 45 -1.412 -0.642 19.684 1.00 33.35 C ATOM 0 H LEU B 45 -3.576 -3.508 23.031 1.00 21.34 H new ATOM 0 HA LEU B 45 -5.249 -1.742 21.760 1.00 24.49 H new ATOM 0 HB2 LEU B 45 -3.267 -0.716 21.851 1.00 26.08 H new ATOM 0 HB3 LEU B 45 -2.474 -2.037 21.611 1.00 26.08 H new ATOM 0 HG LEU B 45 -3.034 -1.843 19.363 1.00 29.70 H new ATOM 0 HD11 LEU B 45 -3.508 0.362 18.511 1.00 30.88 H new ATOM 0 HD12 LEU B 45 -4.699 -0.193 19.395 1.00 30.88 H new ATOM 0 HD13 LEU B 45 -3.685 0.860 20.004 1.00 30.88 H new ATOM 0 HD21 LEU B 45 -1.283 -0.359 18.765 1.00 33.35 H new ATOM 0 HD22 LEU B 45 -1.189 0.089 20.281 1.00 33.35 H new ATOM 0 HD23 LEU B 45 -0.837 -1.400 19.872 1.00 33.35 H new ATOM 1394 N TRP B 46 -5.543 -3.121 19.647 1.00 18.87 N ATOM 1395 CA TRP B 46 -5.782 -4.152 18.605 1.00 17.85 C ATOM 1396 C TRP B 46 -4.855 -3.834 17.491 1.00 13.99 C ATOM 1397 O TRP B 46 -4.729 -2.669 17.055 1.00 13.22 O ATOM 1398 CB TRP B 46 -7.256 -4.180 18.138 1.00 20.29 C ATOM 1399 CG TRP B 46 -8.043 -4.981 19.165 1.00 26.76 C ATOM 1400 CD1 TRP B 46 -8.182 -4.718 20.534 1.00 31.04 C ATOM 1401 CD2 TRP B 46 -8.784 -6.216 18.940 1.00 31.56 C ATOM 1402 NE1 TRP B 46 -8.945 -5.681 21.153 1.00 29.81 N ATOM 1403 CE2 TRP B 46 -9.351 -6.603 20.251 1.00 31.54 C ATOM 1404 CE3 TRP B 46 -9.076 -6.986 17.819 1.00 32.78 C ATOM 1405 CZ2 TRP B 46 -10.140 -7.724 20.404 1.00 35.22 C ATOM 1406 CZ3 TRP B 46 -9.867 -8.127 17.991 1.00 39.31 C ATOM 1407 CH2 TRP B 46 -10.399 -8.479 19.252 1.00 39.73 C ATOM 0 H TRP B 46 -5.922 -2.360 19.520 1.00 18.87 H new ATOM 0 HA TRP B 46 -5.615 -5.041 18.956 1.00 17.85 H new ATOM 0 HB2 TRP B 46 -7.608 -3.279 18.064 1.00 20.29 H new ATOM 0 HB3 TRP B 46 -7.329 -4.586 17.260 1.00 20.29 H new ATOM 0 HD1 TRP B 46 -7.807 -3.986 20.969 1.00 31.04 H new ATOM 0 HE1 TRP B 46 -9.136 -5.695 21.991 1.00 29.81 H new ATOM 0 HE3 TRP B 46 -8.755 -6.749 16.979 1.00 32.78 H new ATOM 0 HZ2 TRP B 46 -10.484 -7.967 21.233 1.00 35.22 H new ATOM 0 HZ3 TRP B 46 -10.047 -8.668 17.256 1.00 39.31 H new ATOM 0 HH2 TRP B 46 -10.937 -9.234 19.319 1.00 39.73 H new ATOM 1408 N ILE B 47 -4.139 -4.862 17.059 1.00 12.30 N ATOM 1409 CA ILE B 47 -3.194 -4.644 15.997 1.00 12.67 C ATOM 1410 C ILE B 47 -3.672 -5.493 14.849 1.00 12.00 C ATOM 1411 O ILE B 47 -3.934 -6.666 15.057 1.00 13.73 O ATOM 1412 CB ILE B 47 -1.766 -5.067 16.433 1.00 11.96 C ATOM 1413 CG1 ILE B 47 -1.299 -4.216 17.660 1.00 14.35 C ATOM 1414 CG2 ILE B 47 -0.814 -4.965 15.216 1.00 10.10 C ATOM 1415 CD1 ILE B 47 0.204 -4.206 17.875 1.00 15.05 C ATOM 0 H ILE B 47 -4.187 -5.666 17.360 1.00 12.30 H new ATOM 0 HA ILE B 47 -3.142 -3.707 15.753 1.00 12.67 H new ATOM 0 HB ILE B 47 -1.759 -5.991 16.729 1.00 11.96 H new ATOM 0 HG12 ILE B 47 -1.605 -3.303 17.543 1.00 14.35 H new ATOM 0 HG13 ILE B 47 -1.728 -4.558 18.460 1.00 14.35 H new ATOM 0 HG21 ILE B 47 0.081 -5.228 15.482 1.00 10.10 H new ATOM 0 HG22 ILE B 47 -1.127 -5.552 14.510 1.00 10.10 H new ATOM 0 HG23 ILE B 47 -0.799 -4.051 14.893 1.00 10.10 H new ATOM 0 HD11 ILE B 47 0.417 -3.661 18.649 1.00 15.05 H new ATOM 0 HD12 ILE B 47 0.516 -5.113 18.023 1.00 15.05 H new ATOM 0 HD13 ILE B 47 0.641 -3.838 17.091 1.00 15.05 H new ATOM 1416 N ALA B 48 -3.811 -4.902 13.671 1.00 13.05 N ATOM 1417 CA ALA B 48 -4.137 -5.655 12.417 1.00 13.10 C ATOM 1418 C ALA B 48 -2.914 -5.707 11.483 1.00 14.09 C ATOM 1419 O ALA B 48 -2.273 -4.684 11.255 1.00 16.94 O ATOM 1420 CB ALA B 48 -5.273 -4.968 11.696 1.00 12.66 C ATOM 0 H ALA B 48 -3.723 -4.054 13.554 1.00 13.05 H new ATOM 0 HA ALA B 48 -4.391 -6.559 12.659 1.00 13.10 H new ATOM 0 HB1 ALA B 48 -5.484 -5.456 10.884 1.00 12.66 H new ATOM 0 HB2 ALA B 48 -6.054 -4.945 12.271 1.00 12.66 H new ATOM 0 HB3 ALA B 48 -5.012 -4.062 11.469 1.00 12.66 H new ATOM 1421 N LEU B 49 -2.570 -6.893 10.982 1.00 12.33 N ATOM 1422 CA LEU B 49 -1.508 -7.011 10.006 1.00 12.50 C ATOM 1423 C LEU B 49 -2.140 -7.436 8.684 1.00 13.79 C ATOM 1424 O LEU B 49 -3.047 -8.317 8.677 1.00 14.01 O ATOM 1425 CB LEU B 49 -0.538 -8.071 10.497 1.00 13.81 C ATOM 1426 CG LEU B 49 0.065 -7.879 11.875 1.00 15.54 C ATOM 1427 CD1 LEU B 49 1.060 -9.053 12.037 1.00 17.12 C ATOM 1428 CD2 LEU B 49 0.723 -6.505 11.927 1.00 14.03 C ATOM 0 H LEU B 49 -2.943 -7.637 11.199 1.00 12.33 H new ATOM 0 HA LEU B 49 -1.032 -6.175 9.883 1.00 12.50 H new ATOM 0 HB2 LEU B 49 -0.997 -8.925 10.487 1.00 13.81 H new ATOM 0 HB3 LEU B 49 0.189 -8.132 9.857 1.00 13.81 H new ATOM 0 HG LEU B 49 -0.575 -7.894 12.603 1.00 15.54 H new ATOM 0 HD11 LEU B 49 1.489 -8.996 12.905 1.00 17.12 H new ATOM 0 HD12 LEU B 49 0.582 -9.894 11.968 1.00 17.12 H new ATOM 0 HD13 LEU B 49 1.733 -9.005 11.340 1.00 17.12 H new ATOM 0 HD21 LEU B 49 1.114 -6.366 12.804 1.00 14.03 H new ATOM 0 HD22 LEU B 49 1.417 -6.453 11.252 1.00 14.03 H new ATOM 0 HD23 LEU B 49 0.057 -5.820 11.759 1.00 14.03 H new ATOM 1429 N ASN B 50 -1.770 -6.764 7.593 1.00 13.95 N ATOM 1430 CA ASN B 50 -2.229 -7.094 6.236 1.00 15.38 C ATOM 1431 C ASN B 50 -0.971 -7.544 5.474 1.00 15.43 C ATOM 1432 O ASN B 50 0.056 -6.818 5.412 1.00 15.29 O ATOM 1433 CB ASN B 50 -2.749 -5.831 5.503 1.00 18.34 C ATOM 1434 CG ASN B 50 -4.100 -5.385 5.978 1.00 22.01 C ATOM 1435 OD1 ASN B 50 -4.395 -4.180 5.966 1.00 25.70 O ATOM 1436 ND2 ASN B 50 -4.936 -6.325 6.371 1.00 22.82 N ATOM 0 H ASN B 50 -1.235 -6.091 7.619 1.00 13.95 H new ATOM 0 HA ASN B 50 -2.935 -7.758 6.276 1.00 15.38 H new ATOM 0 HB2 ASN B 50 -2.114 -5.108 5.627 1.00 18.34 H new ATOM 0 HB3 ASN B 50 -2.791 -6.011 4.551 1.00 18.34 H new ATOM 0 HD21 ASN B 50 -5.727 -6.114 6.635 1.00 22.82 H new ATOM 0 HD22 ASN B 50 -4.691 -7.149 6.364 1.00 22.82 H new ATOM 1437 N GLU B 51 -1.012 -8.731 4.897 1.00 15.66 N ATOM 1438 CA GLU B 51 0.151 -9.229 4.239 1.00 17.51 C ATOM 1439 C GLU B 51 0.228 -8.586 2.851 1.00 19.85 C ATOM 1440 O GLU B 51 -0.743 -8.642 2.085 1.00 21.48 O ATOM 1441 CB GLU B 51 0.159 -10.772 4.172 1.00 17.82 C ATOM 1442 CG GLU B 51 1.518 -11.401 3.869 1.00 18.50 C ATOM 1443 CD GLU B 51 1.470 -12.933 3.832 1.00 20.75 C ATOM 1444 OE1 GLU B 51 2.196 -13.595 4.576 1.00 19.89 O ATOM 1445 OE2 GLU B 51 0.684 -13.469 3.039 1.00 22.16 O ATOM 0 H GLU B 51 -1.698 -9.250 4.880 1.00 15.66 H new ATOM 0 HA GLU B 51 0.942 -8.990 4.747 1.00 17.51 H new ATOM 0 HB2 GLU B 51 -0.161 -11.120 5.019 1.00 17.82 H new ATOM 0 HB3 GLU B 51 -0.472 -11.056 3.492 1.00 17.82 H new ATOM 0 HG2 GLU B 51 1.839 -11.071 3.015 1.00 18.50 H new ATOM 0 HG3 GLU B 51 2.158 -11.118 4.541 1.00 18.50 H new ATOM 1446 N GLU B 52 1.409 -8.054 2.514 1.00 21.58 N ATOM 1447 CA GLU B 52 1.703 -7.512 1.197 1.00 25.75 C ATOM 1448 C GLU B 52 3.125 -7.897 0.815 1.00 28.44 C ATOM 1449 O GLU B 52 4.119 -7.267 1.273 1.00 23.26 O ATOM 1450 CB GLU B 52 1.587 -5.992 1.125 1.00 29.91 C ATOM 1451 CG GLU B 52 0.294 -5.394 1.618 1.00 35.01 C ATOM 1452 CD GLU B 52 0.126 -3.975 1.110 1.00 43.17 C ATOM 1453 OE1 GLU B 52 0.009 -3.819 -0.139 1.00 50.98 O ATOM 1454 OE2 GLU B 52 0.139 -3.025 1.934 1.00 35.62 O ATOM 0 H GLU B 52 2.070 -8.001 3.061 1.00 21.58 H new ATOM 0 HA GLU B 52 1.045 -7.883 0.588 1.00 25.75 H new ATOM 0 HB2 GLU B 52 2.315 -5.607 1.638 1.00 29.91 H new ATOM 0 HB3 GLU B 52 1.715 -5.721 0.203 1.00 29.91 H new ATOM 0 HG2 GLU B 52 -0.452 -5.938 1.322 1.00 35.01 H new ATOM 0 HG3 GLU B 52 0.280 -5.398 2.588 1.00 35.01 H new ATOM 1455 N LYS B 53 3.222 -8.947 0.000 1.00 30.76 N ATOM 1456 CA LYS B 53 4.529 -9.362 -0.578 1.00 35.74 C ATOM 1457 C LYS B 53 4.850 -8.582 -1.832 1.00 35.59 C ATOM 1458 O LYS B 53 5.744 -7.738 -1.834 1.00 37.30 O ATOM 1459 CB LYS B 53 4.540 -10.857 -0.869 1.00 38.24 C ATOM 1460 CG LYS B 53 4.393 -11.687 0.402 1.00 37.67 C ATOM 1461 CD LYS B 53 4.461 -13.165 0.124 1.00 37.83 C ATOM 1462 CE LYS B 53 4.269 -13.956 1.395 1.00 34.77 C ATOM 1463 NZ LYS B 53 5.478 -13.799 2.245 1.00 30.65 N ATOM 0 H LYS B 53 2.556 -9.437 -0.236 1.00 30.76 H new ATOM 0 HA LYS B 53 5.215 -9.168 0.080 1.00 35.74 H new ATOM 0 HB2 LYS B 53 3.818 -11.072 -1.480 1.00 38.24 H new ATOM 0 HB3 LYS B 53 5.369 -11.093 -1.315 1.00 38.24 H new ATOM 0 HG2 LYS B 53 5.093 -11.444 1.028 1.00 37.67 H new ATOM 0 HG3 LYS B 53 3.547 -11.478 0.827 1.00 37.67 H new ATOM 0 HD2 LYS B 53 3.779 -13.409 -0.521 1.00 37.83 H new ATOM 0 HD3 LYS B 53 5.318 -13.385 -0.273 1.00 37.83 H new ATOM 0 HE2 LYS B 53 3.482 -13.644 1.869 1.00 34.77 H new ATOM 0 HE3 LYS B 53 4.123 -14.892 1.189 1.00 34.77 H new ATOM 0 HZ1 LYS B 53 5.498 -14.446 2.856 1.00 30.65 H new ATOM 0 HZ2 LYS B 53 6.207 -13.849 1.737 1.00 30.65 H new ATOM 0 HZ3 LYS B 53 5.454 -13.008 2.652 1.00 30.65 H new ATOM 1464 N SER B 63 10.605 5.033 9.459 1.00 47.46 N ATOM 1465 CA SER B 63 11.335 6.266 9.811 1.00 43.28 C ATOM 1466 C SER B 63 10.474 7.556 9.846 1.00 40.72 C ATOM 1467 O SER B 63 10.928 8.574 10.395 1.00 37.77 O ATOM 1468 CB SER B 63 12.597 6.461 8.937 1.00 52.72 C ATOM 1469 OG SER B 63 12.375 7.349 7.841 1.00 49.32 O ATOM 0 HA SER B 63 11.611 6.123 10.730 1.00 43.28 H new ATOM 0 HB2 SER B 63 13.317 6.806 9.488 1.00 52.72 H new ATOM 0 HB3 SER B 63 12.887 5.600 8.597 1.00 52.72 H new ATOM 0 HG SER B 63 13.083 7.427 7.396 1.00 49.32 H new ATOM 1470 N TYR B 64 9.236 7.519 9.327 1.00 34.28 N ATOM 1471 CA TYR B 64 8.320 8.678 9.503 1.00 29.56 C ATOM 1472 C TYR B 64 7.208 8.445 10.544 1.00 27.22 C ATOM 1473 O TYR B 64 6.271 9.249 10.647 1.00 22.10 O ATOM 1474 CB TYR B 64 7.743 9.196 8.185 1.00 30.45 C ATOM 1475 CG TYR B 64 8.826 9.459 7.162 1.00 31.68 C ATOM 1476 CD1 TYR B 64 9.941 10.236 7.482 1.00 35.42 C ATOM 1477 CD2 TYR B 64 8.766 8.882 5.889 1.00 39.50 C ATOM 1478 CE1 TYR B 64 10.956 10.466 6.551 1.00 37.30 C ATOM 1479 CE2 TYR B 64 9.777 9.114 4.953 1.00 39.90 C ATOM 1480 CZ TYR B 64 10.875 9.898 5.291 1.00 41.73 C ATOM 1481 OH TYR B 64 11.887 10.138 4.359 1.00 43.17 O ATOM 0 H TYR B 64 8.910 6.859 8.883 1.00 34.28 H new ATOM 0 HA TYR B 64 8.890 9.376 9.862 1.00 29.56 H new ATOM 0 HB2 TYR B 64 7.114 8.548 7.831 1.00 30.45 H new ATOM 0 HB3 TYR B 64 7.247 10.013 8.348 1.00 30.45 H new ATOM 0 HD1 TYR B 64 10.009 10.608 8.332 1.00 35.42 H new ATOM 0 HD2 TYR B 64 8.046 8.338 5.663 1.00 39.50 H new ATOM 0 HE1 TYR B 64 11.684 10.999 6.777 1.00 37.30 H new ATOM 0 HE2 TYR B 64 9.716 8.743 4.102 1.00 39.90 H new ATOM 0 HH TYR B 64 11.711 9.734 3.644 1.00 43.17 H new ATOM 1482 N THR B 65 7.310 7.330 11.269 1.00 27.98 N ATOM 1483 CA THR B 65 6.415 7.020 12.363 1.00 24.49 C ATOM 1484 C THR B 65 7.053 6.031 13.368 1.00 25.92 C ATOM 1485 O THR B 65 7.924 5.257 12.976 1.00 22.66 O ATOM 1486 CB THR B 65 5.060 6.509 11.832 1.00 28.16 C ATOM 1487 OG1 THR B 65 4.061 6.686 12.856 1.00 31.98 O ATOM 1488 CG2 THR B 65 5.101 5.053 11.411 1.00 29.30 C ATOM 0 H THR B 65 7.911 6.730 11.131 1.00 27.98 H new ATOM 0 HA THR B 65 6.250 7.841 12.853 1.00 24.49 H new ATOM 0 HB THR B 65 4.843 7.025 11.040 1.00 28.16 H new ATOM 0 HG1 THR B 65 4.327 7.257 13.412 1.00 31.98 H new ATOM 0 HG21 THR B 65 4.227 4.785 11.087 1.00 29.30 H new ATOM 0 HG22 THR B 65 5.756 4.938 10.705 1.00 29.30 H new ATOM 0 HG23 THR B 65 5.346 4.503 12.171 1.00 29.30 H new ATOM 1489 N HIS B 66 6.661 6.065 14.667 1.00 18.65 N ATOM 1490 CA HIS B 66 6.980 4.916 15.534 1.00 17.73 C ATOM 1491 C HIS B 66 5.920 4.744 16.547 1.00 15.05 C ATOM 1492 O HIS B 66 5.140 5.718 16.828 1.00 14.70 O ATOM 1493 CB HIS B 66 8.437 4.933 16.165 1.00 19.41 C ATOM 1494 CG HIS B 66 8.685 5.982 17.249 1.00 21.56 C ATOM 1495 ND1 HIS B 66 8.145 5.910 18.516 1.00 26.83 N ATOM 1496 CD2 HIS B 66 9.494 7.097 17.256 1.00 22.93 C ATOM 1497 CE1 HIS B 66 8.518 6.964 19.227 1.00 22.69 C ATOM 1498 NE2 HIS B 66 9.353 7.694 18.476 1.00 28.87 N ATOM 0 H HIS B 66 6.233 6.710 15.042 1.00 18.65 H new ATOM 0 HA HIS B 66 6.999 4.135 14.959 1.00 17.73 H new ATOM 0 HB2 HIS B 66 8.618 4.057 16.540 1.00 19.41 H new ATOM 0 HB3 HIS B 66 9.078 5.074 15.451 1.00 19.41 H new ATOM 0 HD1 HIS B 66 7.641 5.275 18.802 1.00 26.83 H new ATOM 0 HD2 HIS B 66 10.036 7.389 16.559 1.00 22.93 H new ATOM 0 HE1 HIS B 66 8.248 7.162 20.095 1.00 22.69 H new ATOM 1499 N ILE B 67 5.827 3.531 17.102 1.00 12.62 N ATOM 1500 CA ILE B 67 4.836 3.240 18.117 1.00 11.68 C ATOM 1501 C ILE B 67 5.604 2.832 19.368 1.00 11.11 C ATOM 1502 O ILE B 67 6.459 1.974 19.276 1.00 9.95 O ATOM 1503 CB ILE B 67 3.844 2.048 17.745 1.00 12.15 C ATOM 1504 CG1 ILE B 67 3.177 2.198 16.358 1.00 17.48 C ATOM 1505 CG2 ILE B 67 2.688 1.999 18.677 1.00 11.04 C ATOM 1506 CD1 ILE B 67 2.701 3.627 16.116 1.00 18.13 C ATOM 0 H ILE B 67 6.334 2.867 16.898 1.00 12.62 H new ATOM 0 HA ILE B 67 4.286 4.031 18.227 1.00 11.68 H new ATOM 0 HB ILE B 67 4.412 1.263 17.780 1.00 12.15 H new ATOM 0 HG12 ILE B 67 3.807 1.944 15.666 1.00 17.48 H new ATOM 0 HG13 ILE B 67 2.424 1.590 16.293 1.00 17.48 H new ATOM 0 HG21 ILE B 67 2.102 1.267 18.428 1.00 11.04 H new ATOM 0 HG22 ILE B 67 3.008 1.863 19.583 1.00 11.04 H new ATOM 0 HG23 ILE B 67 2.198 2.835 18.629 1.00 11.04 H new ATOM 0 HD11 ILE B 67 2.289 3.687 15.240 1.00 18.13 H new ATOM 0 HD12 ILE B 67 2.053 3.872 16.795 1.00 18.13 H new ATOM 0 HD13 ILE B 67 3.458 4.232 16.159 1.00 18.13 H new ATOM 1507 N ALA B 68 5.204 3.376 20.510 1.00 10.66 N ATOM 1508 CA ALA B 68 5.863 3.121 21.810 1.00 10.44 C ATOM 1509 C ALA B 68 4.881 2.498 22.741 1.00 9.52 C ATOM 1510 O ALA B 68 3.792 2.932 22.796 1.00 10.49 O ATOM 1511 CB ALA B 68 6.387 4.427 22.444 1.00 10.00 C ATOM 0 H ALA B 68 4.534 3.913 20.564 1.00 10.66 H new ATOM 0 HA ALA B 68 6.616 2.530 21.655 1.00 10.44 H new ATOM 0 HB1 ALA B 68 6.812 4.227 23.293 1.00 10.00 H new ATOM 0 HB2 ALA B 68 7.032 4.840 21.849 1.00 10.00 H new ATOM 0 HB3 ALA B 68 5.646 5.036 22.590 1.00 10.00 H new ATOM 1512 N PHE B 69 5.279 1.441 23.426 1.00 11.11 N ATOM 1513 CA PHE B 69 4.469 0.782 24.456 1.00 11.62 C ATOM 1514 C PHE B 69 5.097 1.038 25.799 1.00 12.67 C ATOM 1515 O PHE B 69 6.285 1.221 25.860 1.00 12.25 O ATOM 1516 CB PHE B 69 4.417 -0.751 24.185 1.00 11.74 C ATOM 1517 CG PHE B 69 3.739 -1.089 22.888 1.00 12.66 C ATOM 1518 CD1 PHE B 69 2.369 -1.202 22.826 1.00 13.20 C ATOM 1519 CD2 PHE B 69 4.499 -1.263 21.732 1.00 13.34 C ATOM 1520 CE1 PHE B 69 1.709 -1.467 21.615 1.00 13.59 C ATOM 1521 CE2 PHE B 69 3.868 -1.558 20.500 1.00 12.80 C ATOM 1522 CZ PHE B 69 2.465 -1.626 20.453 1.00 13.69 C ATOM 0 H PHE B 69 6.046 1.071 23.308 1.00 11.11 H new ATOM 0 HA PHE B 69 3.565 1.134 24.440 1.00 11.62 H new ATOM 0 HB2 PHE B 69 5.320 -1.104 24.175 1.00 11.74 H new ATOM 0 HB3 PHE B 69 3.949 -1.189 24.914 1.00 11.74 H new ATOM 0 HD1 PHE B 69 1.869 -1.101 23.604 1.00 13.20 H new ATOM 0 HD2 PHE B 69 5.425 -1.185 21.771 1.00 13.34 H new ATOM 0 HE1 PHE B 69 0.782 -1.535 21.588 1.00 13.59 H new ATOM 0 HE2 PHE B 69 4.374 -1.705 19.733 1.00 12.80 H new ATOM 0 HZ PHE B 69 2.037 -1.778 19.641 1.00 13.69 H new ATOM 1523 N THR B 70 4.269 1.105 26.854 1.00 13.96 N ATOM 1524 CA THR B 70 4.716 1.241 28.240 1.00 14.74 C ATOM 1525 C THR B 70 5.024 -0.094 28.889 1.00 13.86 C ATOM 1526 O THR B 70 4.241 -1.054 28.716 1.00 12.40 O ATOM 1527 CB THR B 70 3.585 1.930 29.052 1.00 16.28 C ATOM 1528 OG1 THR B 70 3.382 3.238 28.502 1.00 18.75 O ATOM 1529 CG2 THR B 70 3.991 2.158 30.581 1.00 16.48 C ATOM 0 H THR B 70 3.413 1.071 26.775 1.00 13.96 H new ATOM 0 HA THR B 70 5.534 1.763 28.237 1.00 14.74 H new ATOM 0 HB THR B 70 2.802 1.360 29.005 1.00 16.28 H new ATOM 0 HG1 THR B 70 2.772 3.629 28.927 1.00 18.75 H new ATOM 0 HG21 THR B 70 3.259 2.589 31.050 1.00 16.48 H new ATOM 0 HG22 THR B 70 4.181 1.302 30.997 1.00 16.48 H new ATOM 0 HG23 THR B 70 4.779 2.721 30.626 1.00 16.48 H new ATOM 1530 N ILE B 71 6.120 -0.145 29.677 1.00 14.06 N ATOM 1531 CA ILE B 71 6.496 -1.282 30.466 1.00 15.25 C ATOM 1532 C ILE B 71 6.888 -0.720 31.830 1.00 19.23 C ATOM 1533 O ILE B 71 7.204 0.481 31.944 1.00 16.69 O ATOM 1534 CB ILE B 71 7.709 -2.076 29.895 1.00 16.33 C ATOM 1535 CG1 ILE B 71 8.924 -1.177 29.572 1.00 16.42 C ATOM 1536 CG2 ILE B 71 7.333 -2.897 28.624 1.00 16.73 C ATOM 1537 CD1 ILE B 71 10.220 -1.983 29.516 1.00 17.05 C ATOM 0 H ILE B 71 6.667 0.515 29.753 1.00 14.06 H new ATOM 0 HA ILE B 71 5.754 -1.907 30.488 1.00 15.25 H new ATOM 0 HB ILE B 71 7.961 -2.686 30.606 1.00 16.33 H new ATOM 0 HG12 ILE B 71 8.782 -0.732 28.722 1.00 16.42 H new ATOM 0 HG13 ILE B 71 9.002 -0.483 30.245 1.00 16.42 H new ATOM 0 HG21 ILE B 71 8.115 -3.374 28.303 1.00 16.73 H new ATOM 0 HG22 ILE B 71 6.635 -3.533 28.844 1.00 16.73 H new ATOM 0 HG23 ILE B 71 7.015 -2.296 27.932 1.00 16.73 H new ATOM 0 HD11 ILE B 71 10.961 -1.391 29.312 1.00 17.05 H new ATOM 0 HD12 ILE B 71 10.374 -2.409 30.374 1.00 17.05 H new ATOM 0 HD13 ILE B 71 10.150 -2.662 28.827 1.00 17.05 H new ATOM 1538 N ASP B 72 6.881 -1.587 32.838 1.00 19.12 N ATOM 1539 CA ASP B 72 7.382 -1.191 34.157 1.00 21.04 C ATOM 1540 C ASP B 72 8.867 -1.189 34.190 1.00 20.00 C ATOM 1541 O ASP B 72 9.536 -2.007 33.559 1.00 17.27 O ATOM 1542 CB ASP B 72 6.897 -2.156 35.208 1.00 26.63 C ATOM 1543 CG ASP B 72 5.427 -1.986 35.502 1.00 29.66 C ATOM 1544 OD1 ASP B 72 4.676 -2.949 35.286 1.00 39.36 O ATOM 1545 OD2 ASP B 72 5.009 -0.878 35.884 1.00 34.85 O ATOM 0 H ASP B 72 6.596 -2.397 32.785 1.00 19.12 H new ATOM 0 HA ASP B 72 7.051 -0.297 34.335 1.00 21.04 H new ATOM 0 HB2 ASP B 72 7.063 -3.065 34.912 1.00 26.63 H new ATOM 0 HB3 ASP B 72 7.406 -2.026 36.024 1.00 26.63 H new ATOM 1546 N ASP B 73 9.395 -0.265 34.996 1.00 22.80 N ATOM 1547 CA ASP B 73 10.792 -0.225 35.250 1.00 21.66 C ATOM 1548 C ASP B 73 11.339 -1.582 35.596 1.00 19.80 C ATOM 1549 O ASP B 73 12.398 -1.983 35.121 1.00 19.07 O ATOM 1550 CB ASP B 73 11.002 0.637 36.500 1.00 28.23 C ATOM 1551 CG ASP B 73 12.136 1.535 36.342 1.00 36.74 C ATOM 1552 OD1 ASP B 73 13.242 1.192 36.846 1.00 47.79 O ATOM 1553 OD2 ASP B 73 11.924 2.566 35.675 1.00 37.91 O ATOM 0 H ASP B 73 8.939 0.343 35.399 1.00 22.80 H new ATOM 0 HA ASP B 73 11.234 0.113 34.456 1.00 21.66 H new ATOM 0 HB2 ASP B 73 10.200 1.154 36.677 1.00 28.23 H new ATOM 0 HB3 ASP B 73 11.146 0.064 37.269 1.00 28.23 H new ATOM 1554 N SER B 74 10.630 -2.255 36.495 1.00 21.18 N ATOM 1555 CA SER B 74 11.052 -3.563 36.986 1.00 21.28 C ATOM 1556 C SER B 74 11.088 -4.687 35.931 1.00 24.78 C ATOM 1557 O SER B 74 11.635 -5.769 36.187 1.00 23.58 O ATOM 1558 CB SER B 74 10.139 -3.978 38.144 1.00 24.84 C ATOM 1559 OG SER B 74 8.778 -4.070 37.755 1.00 28.09 O ATOM 0 H SER B 74 9.894 -1.969 36.837 1.00 21.18 H new ATOM 0 HA SER B 74 11.973 -3.452 37.269 1.00 21.28 H new ATOM 0 HB2 SER B 74 10.432 -4.835 38.492 1.00 24.84 H new ATOM 0 HB3 SER B 74 10.224 -3.335 38.865 1.00 24.84 H new ATOM 0 HG SER B 74 8.313 -4.301 38.415 1.00 28.09 H new ATOM 1560 N GLU B 75 10.512 -4.439 34.744 1.00 20.16 N ATOM 1561 CA GLU B 75 10.542 -5.430 33.647 1.00 20.24 C ATOM 1562 C GLU B 75 11.494 -5.009 32.558 1.00 17.61 C ATOM 1563 O GLU B 75 11.541 -5.649 31.536 1.00 19.66 O ATOM 1564 CB GLU B 75 9.089 -5.581 33.044 1.00 21.07 C ATOM 1565 CG GLU B 75 8.056 -5.986 34.075 1.00 24.57 C ATOM 1566 CD GLU B 75 8.223 -7.449 34.491 1.00 32.19 C ATOM 1567 OE1 GLU B 75 8.074 -7.772 35.704 1.00 34.77 O ATOM 1568 OE2 GLU B 75 8.551 -8.266 33.599 1.00 34.92 O ATOM 0 H GLU B 75 10.101 -3.708 34.552 1.00 20.16 H new ATOM 0 HA GLU B 75 10.847 -6.277 34.007 1.00 20.24 H new ATOM 0 HB2 GLU B 75 8.823 -4.740 32.641 1.00 21.07 H new ATOM 0 HB3 GLU B 75 9.106 -6.242 32.335 1.00 21.07 H new ATOM 0 HG2 GLU B 75 8.135 -5.415 34.855 1.00 24.57 H new ATOM 0 HG3 GLU B 75 7.166 -5.851 33.714 1.00 24.57 H new ATOM 1569 N PHE B 76 12.290 -3.939 32.771 1.00 17.02 N ATOM 1570 CA PHE B 76 13.137 -3.439 31.709 1.00 16.46 C ATOM 1571 C PHE B 76 14.160 -4.471 31.268 1.00 17.50 C ATOM 1572 O PHE B 76 14.246 -4.816 30.067 1.00 13.84 O ATOM 1573 CB PHE B 76 13.802 -2.090 32.097 1.00 17.78 C ATOM 1574 CG PHE B 76 14.520 -1.405 30.954 1.00 15.57 C ATOM 1575 CD1 PHE B 76 13.878 -0.387 30.220 1.00 13.75 C ATOM 1576 CD2 PHE B 76 15.790 -1.793 30.590 1.00 15.06 C ATOM 1577 CE1 PHE B 76 14.541 0.248 29.163 1.00 15.04 C ATOM 1578 CE2 PHE B 76 16.450 -1.174 29.525 1.00 16.18 C ATOM 1579 CZ PHE B 76 15.824 -0.129 28.824 1.00 13.87 C ATOM 0 H PHE B 76 12.342 -3.508 33.513 1.00 17.02 H new ATOM 0 HA PHE B 76 12.567 -3.266 30.944 1.00 16.46 H new ATOM 0 HB2 PHE B 76 13.121 -1.492 32.443 1.00 17.78 H new ATOM 0 HB3 PHE B 76 14.434 -2.247 32.816 1.00 17.78 H new ATOM 0 HD1 PHE B 76 13.010 -0.136 30.439 1.00 13.75 H new ATOM 0 HD2 PHE B 76 16.214 -2.475 31.059 1.00 15.06 H new ATOM 0 HE1 PHE B 76 14.116 0.925 28.688 1.00 15.04 H new ATOM 0 HE2 PHE B 76 17.303 -1.453 29.280 1.00 16.18 H new ATOM 0 HZ PHE B 76 16.272 0.306 28.135 1.00 13.87 H new ATOM 1580 N LYS B 77 14.975 -4.968 32.243 1.00 18.68 N ATOM 1581 CA LYS B 77 16.005 -5.935 31.901 1.00 18.11 C ATOM 1582 C LYS B 77 15.314 -7.224 31.342 1.00 16.78 C ATOM 1583 O LYS B 77 15.821 -7.793 30.433 1.00 18.79 O ATOM 1584 CB LYS B 77 16.944 -6.300 33.082 1.00 20.55 C ATOM 1585 CG LYS B 77 17.899 -5.159 33.483 1.00 25.52 C ATOM 1586 CD LYS B 77 19.023 -5.580 34.463 1.00 27.63 C ATOM 1587 CE LYS B 77 20.030 -4.422 34.576 1.00 34.43 C ATOM 1588 NZ LYS B 77 21.349 -4.764 35.154 1.00 35.04 N ATOM 0 H LYS B 77 14.934 -4.754 33.075 1.00 18.68 H new ATOM 0 HA LYS B 77 16.575 -5.524 31.233 1.00 18.11 H new ATOM 0 HB2 LYS B 77 16.405 -6.546 33.850 1.00 20.55 H new ATOM 0 HB3 LYS B 77 17.467 -7.080 32.841 1.00 20.55 H new ATOM 0 HG2 LYS B 77 18.304 -4.794 32.681 1.00 25.52 H new ATOM 0 HG3 LYS B 77 17.381 -4.446 33.889 1.00 25.52 H new ATOM 0 HD2 LYS B 77 18.650 -5.789 35.334 1.00 27.63 H new ATOM 0 HD3 LYS B 77 19.466 -6.382 34.144 1.00 27.63 H new ATOM 0 HE2 LYS B 77 20.171 -4.052 33.691 1.00 34.43 H new ATOM 0 HE3 LYS B 77 19.632 -3.722 35.116 1.00 34.43 H new ATOM 0 HZ1 LYS B 77 21.860 -4.036 35.179 1.00 35.04 H new ATOM 0 HZ2 LYS B 77 21.239 -5.077 35.980 1.00 35.04 H new ATOM 0 HZ3 LYS B 77 21.742 -5.385 34.651 1.00 35.04 H new ATOM 1589 N TYR B 78 14.186 -7.655 31.875 1.00 20.11 N ATOM 1590 CA TYR B 78 13.451 -8.809 31.218 1.00 18.78 C ATOM 1591 C TYR B 78 13.304 -8.582 29.673 1.00 19.04 C ATOM 1592 O TYR B 78 13.717 -9.404 28.841 1.00 21.14 O ATOM 1593 CB TYR B 78 12.104 -9.061 31.934 1.00 23.45 C ATOM 1594 CG TYR B 78 11.219 -10.042 31.220 1.00 23.84 C ATOM 1595 CD1 TYR B 78 11.339 -11.406 31.444 1.00 27.34 C ATOM 1596 CD2 TYR B 78 10.267 -9.601 30.253 1.00 25.91 C ATOM 1597 CE1 TYR B 78 10.541 -12.320 30.739 1.00 26.23 C ATOM 1598 CE2 TYR B 78 9.456 -10.513 29.574 1.00 24.33 C ATOM 1599 CZ TYR B 78 9.604 -11.858 29.830 1.00 26.38 C ATOM 1600 OH TYR B 78 8.836 -12.789 29.190 1.00 25.78 O ATOM 0 H TYR B 78 13.817 -7.333 32.582 1.00 20.11 H new ATOM 0 HA TYR B 78 13.976 -9.619 31.315 1.00 18.78 H new ATOM 0 HB2 TYR B 78 12.279 -9.387 32.831 1.00 23.45 H new ATOM 0 HB3 TYR B 78 11.632 -8.218 32.026 1.00 23.45 H new ATOM 0 HD1 TYR B 78 11.954 -11.718 32.068 1.00 27.34 H new ATOM 0 HD2 TYR B 78 10.185 -8.692 30.072 1.00 25.91 H new ATOM 0 HE1 TYR B 78 10.641 -13.233 30.882 1.00 26.23 H new ATOM 0 HE2 TYR B 78 8.825 -10.216 28.958 1.00 24.33 H new ATOM 0 HH TYR B 78 8.088 -12.455 29.004 1.00 25.78 H new ATOM 1601 N TRP B 79 12.781 -7.421 29.290 1.00 18.42 N ATOM 1602 CA TRP B 79 12.512 -7.080 27.889 1.00 16.91 C ATOM 1603 C TRP B 79 13.710 -6.951 27.070 1.00 16.13 C ATOM 1604 O TRP B 79 13.789 -7.470 25.927 1.00 14.83 O ATOM 1605 CB TRP B 79 11.587 -5.842 27.804 1.00 15.87 C ATOM 1606 CG TRP B 79 10.189 -6.352 28.058 1.00 17.15 C ATOM 1607 CD1 TRP B 79 9.396 -6.193 29.167 1.00 16.26 C ATOM 1608 CD2 TRP B 79 9.455 -7.205 27.179 1.00 16.37 C ATOM 1609 NE1 TRP B 79 8.240 -6.903 29.059 1.00 19.19 N ATOM 1610 CE2 TRP B 79 8.189 -7.502 27.866 1.00 18.66 C ATOM 1611 CE3 TRP B 79 9.687 -7.720 25.915 1.00 16.56 C ATOM 1612 CZ2 TRP B 79 7.207 -8.287 27.288 1.00 18.35 C ATOM 1613 CZ3 TRP B 79 8.689 -8.532 25.336 1.00 16.13 C ATOM 1614 CH2 TRP B 79 7.502 -8.818 26.018 1.00 17.04 C ATOM 0 H TRP B 79 12.568 -6.798 29.843 1.00 18.42 H new ATOM 0 HA TRP B 79 12.043 -7.835 27.500 1.00 16.91 H new ATOM 0 HB2 TRP B 79 11.838 -5.175 28.461 1.00 15.87 H new ATOM 0 HB3 TRP B 79 11.650 -5.420 26.933 1.00 15.87 H new ATOM 0 HD1 TRP B 79 9.620 -5.666 29.900 1.00 16.26 H new ATOM 0 HE1 TRP B 79 7.634 -6.958 29.667 1.00 19.19 H new ATOM 0 HE3 TRP B 79 10.477 -7.536 25.461 1.00 16.56 H new ATOM 0 HZ2 TRP B 79 6.398 -8.454 27.714 1.00 18.35 H new ATOM 0 HZ3 TRP B 79 8.823 -8.883 24.485 1.00 16.13 H new ATOM 0 HH2 TRP B 79 6.882 -9.382 25.616 1.00 17.04 H new ATOM 1615 N HIS B 80 14.684 -6.239 27.629 1.00 15.92 N ATOM 1616 CA HIS B 80 15.937 -6.022 26.902 1.00 15.96 C ATOM 1617 C HIS B 80 16.525 -7.352 26.525 1.00 16.52 C ATOM 1618 O HIS B 80 16.943 -7.570 25.382 1.00 15.20 O ATOM 1619 CB HIS B 80 16.912 -5.109 27.710 1.00 15.14 C ATOM 1620 CG HIS B 80 18.091 -4.603 26.900 1.00 17.81 C ATOM 1621 ND1 HIS B 80 19.301 -4.357 27.448 1.00 18.76 N ATOM 1622 CD2 HIS B 80 18.190 -4.250 25.579 1.00 18.84 C ATOM 1623 CE1 HIS B 80 20.137 -3.905 26.504 1.00 17.77 C ATOM 1624 NE2 HIS B 80 19.461 -3.838 25.356 1.00 19.08 N ATOM 0 H HIS B 80 14.645 -5.880 28.409 1.00 15.92 H new ATOM 0 HA HIS B 80 15.764 -5.538 26.079 1.00 15.96 H new ATOM 0 HB2 HIS B 80 16.418 -4.349 28.056 1.00 15.14 H new ATOM 0 HB3 HIS B 80 17.245 -5.603 28.475 1.00 15.14 H new ATOM 0 HD2 HIS B 80 17.507 -4.287 24.949 1.00 18.84 H new ATOM 0 HE1 HIS B 80 21.030 -3.678 26.627 1.00 17.77 H new ATOM 0 HE2 HIS B 80 19.779 -3.577 24.601 1.00 19.08 H new ATOM 1625 N GLN B 81 16.600 -8.255 27.495 1.00 19.10 N ATOM 1626 CA GLN B 81 17.210 -9.566 27.248 1.00 19.23 C ATOM 1627 C GLN B 81 16.336 -10.464 26.347 1.00 17.34 C ATOM 1628 O GLN B 81 16.888 -11.179 25.531 1.00 19.54 O ATOM 1629 CB GLN B 81 17.530 -10.315 28.574 1.00 22.72 C ATOM 1630 CG GLN B 81 18.540 -11.464 28.329 1.00 26.77 C ATOM 1631 CD GLN B 81 19.912 -11.036 27.726 1.00 30.49 C ATOM 1632 OE1 GLN B 81 20.327 -11.556 26.689 1.00 30.25 O ATOM 1633 NE2 GLN B 81 20.599 -10.106 28.360 1.00 29.84 N ATOM 0 H GLN B 81 16.309 -8.136 28.295 1.00 19.10 H new ATOM 0 HA GLN B 81 18.041 -9.385 26.781 1.00 19.23 H new ATOM 0 HB2 GLN B 81 17.894 -9.692 29.222 1.00 22.72 H new ATOM 0 HB3 GLN B 81 16.712 -10.673 28.953 1.00 22.72 H new ATOM 0 HG2 GLN B 81 18.702 -11.916 29.172 1.00 26.77 H new ATOM 0 HG3 GLN B 81 18.131 -12.112 27.734 1.00 26.77 H new ATOM 0 HE21 GLN B 81 20.287 -9.758 29.082 1.00 29.84 H new ATOM 0 HE22 GLN B 81 21.359 -9.847 28.051 1.00 29.84 H new ATOM 1634 N ARG B 82 15.003 -10.388 26.474 1.00 16.47 N ATOM 1635 CA ARG B 82 14.113 -11.184 25.615 1.00 15.31 C ATOM 1636 C ARG B 82 14.327 -10.747 24.136 1.00 14.89 C ATOM 1637 O ARG B 82 14.436 -11.564 23.210 1.00 14.40 O ATOM 1638 CB ARG B 82 12.645 -11.032 26.075 1.00 15.69 C ATOM 1639 CG ARG B 82 11.679 -11.938 25.284 1.00 14.76 C ATOM 1640 CD ARG B 82 10.246 -11.729 25.690 1.00 16.05 C ATOM 1641 NE ARG B 82 9.345 -12.736 25.147 1.00 14.31 N ATOM 1642 CZ ARG B 82 9.078 -13.963 25.640 1.00 16.56 C ATOM 1643 NH1 ARG B 82 9.691 -14.479 26.745 1.00 15.01 N ATOM 1644 NH2 ARG B 82 8.182 -14.729 25.001 1.00 14.34 N ATOM 0 H ARG B 82 14.599 -9.888 27.045 1.00 16.47 H new ATOM 0 HA ARG B 82 14.325 -12.128 25.685 1.00 15.31 H new ATOM 0 HB2 ARG B 82 12.582 -11.244 27.019 1.00 15.69 H new ATOM 0 HB3 ARG B 82 12.372 -10.107 25.973 1.00 15.69 H new ATOM 0 HG2 ARG B 82 11.774 -11.760 24.335 1.00 14.76 H new ATOM 0 HG3 ARG B 82 11.921 -12.867 25.424 1.00 14.76 H new ATOM 0 HD2 ARG B 82 10.185 -11.737 26.658 1.00 16.05 H new ATOM 0 HD3 ARG B 82 9.957 -10.851 25.395 1.00 16.05 H new ATOM 0 HE ARG B 82 8.933 -12.522 24.423 1.00 14.31 H new ATOM 0 HH11 ARG B 82 10.281 -14.016 27.165 1.00 15.01 H new ATOM 0 HH12 ARG B 82 9.487 -15.267 27.021 1.00 15.01 H new ATOM 0 HH21 ARG B 82 7.792 -14.435 24.293 1.00 14.34 H new ATOM 0 HH22 ARG B 82 7.998 -15.514 25.299 1.00 14.34 H new ATOM 1645 N LEU B 83 14.449 -9.450 23.902 1.00 13.97 N ATOM 1646 CA LEU B 83 14.641 -8.991 22.544 1.00 15.05 C ATOM 1647 C LEU B 83 16.000 -9.457 21.975 1.00 16.68 C ATOM 1648 O LEU B 83 16.147 -9.913 20.792 1.00 16.12 O ATOM 1649 CB LEU B 83 14.441 -7.447 22.462 1.00 15.46 C ATOM 1650 CG LEU B 83 13.022 -6.934 22.805 1.00 14.46 C ATOM 1651 CD1 LEU B 83 12.995 -5.396 22.749 1.00 15.48 C ATOM 1652 CD2 LEU B 83 12.013 -7.467 21.819 1.00 14.52 C ATOM 0 H LEU B 83 14.424 -8.834 24.502 1.00 13.97 H new ATOM 0 HA LEU B 83 13.966 -9.397 21.978 1.00 15.05 H new ATOM 0 HB2 LEU B 83 15.074 -7.023 23.063 1.00 15.46 H new ATOM 0 HB3 LEU B 83 14.664 -7.156 21.564 1.00 15.46 H new ATOM 0 HG LEU B 83 12.797 -7.241 23.697 1.00 14.46 H new ATOM 0 HD11 LEU B 83 12.104 -5.080 22.965 1.00 15.48 H new ATOM 0 HD12 LEU B 83 13.629 -5.037 23.390 1.00 15.48 H new ATOM 0 HD13 LEU B 83 13.236 -5.100 21.857 1.00 15.48 H new ATOM 0 HD21 LEU B 83 11.130 -7.136 22.048 1.00 14.52 H new ATOM 0 HD22 LEU B 83 12.246 -7.171 20.925 1.00 14.52 H new ATOM 0 HD23 LEU B 83 12.012 -8.437 21.849 1.00 14.52 H new ATOM 1653 N LYS B 84 17.034 -9.316 22.815 1.00 17.16 N ATOM 1654 CA LYS B 84 18.350 -9.780 22.387 1.00 17.14 C ATOM 1655 C LYS B 84 18.410 -11.300 22.161 1.00 16.67 C ATOM 1656 O LYS B 84 18.988 -11.718 21.164 1.00 16.85 O ATOM 1657 CB LYS B 84 19.394 -9.411 23.435 1.00 18.34 C ATOM 1658 CG LYS B 84 19.797 -7.951 23.454 1.00 21.71 C ATOM 1659 CD LYS B 84 20.724 -7.865 24.681 1.00 24.18 C ATOM 1660 CE LYS B 84 21.755 -6.774 24.606 1.00 30.03 C ATOM 1661 NZ LYS B 84 22.088 -6.454 26.041 1.00 36.12 N ATOM 0 H LYS B 84 16.996 -8.970 23.601 1.00 17.16 H new ATOM 0 HA LYS B 84 18.531 -9.344 21.539 1.00 17.14 H new ATOM 0 HB2 LYS B 84 19.051 -9.649 24.311 1.00 18.34 H new ATOM 0 HB3 LYS B 84 20.187 -9.949 23.285 1.00 18.34 H new ATOM 0 HG2 LYS B 84 20.255 -7.694 22.639 1.00 21.71 H new ATOM 0 HG3 LYS B 84 19.028 -7.367 23.543 1.00 21.71 H new ATOM 0 HD2 LYS B 84 20.182 -7.728 25.473 1.00 24.18 H new ATOM 0 HD3 LYS B 84 21.177 -8.716 24.791 1.00 24.18 H new ATOM 0 HE2 LYS B 84 22.542 -7.067 24.120 1.00 30.03 H new ATOM 0 HE3 LYS B 84 21.409 -5.995 24.143 1.00 30.03 H new ATOM 0 HZ1 LYS B 84 22.252 -5.583 26.121 1.00 36.12 H new ATOM 0 HZ2 LYS B 84 21.401 -6.676 26.562 1.00 36.12 H new ATOM 0 HZ3 LYS B 84 22.808 -6.914 26.289 1.00 36.12 H new ATOM 1662 N ASP B 85 17.806 -12.078 23.059 1.00 16.63 N ATOM 1663 CA ASP B 85 17.831 -13.553 23.011 1.00 19.43 C ATOM 1664 C ASP B 85 17.075 -13.958 21.783 1.00 20.19 C ATOM 1665 O ASP B 85 17.308 -15.030 21.289 1.00 17.38 O ATOM 1666 CB ASP B 85 17.102 -14.272 24.167 1.00 19.92 C ATOM 1667 CG ASP B 85 17.781 -14.143 25.503 1.00 22.36 C ATOM 1668 OD1 ASP B 85 17.062 -14.328 26.518 1.00 26.50 O ATOM 1669 OD2 ASP B 85 18.976 -13.790 25.524 1.00 21.88 O ATOM 0 H ASP B 85 17.362 -11.765 23.726 1.00 16.63 H new ATOM 0 HA ASP B 85 18.768 -13.801 23.048 1.00 19.43 H new ATOM 0 HB2 ASP B 85 16.202 -13.917 24.238 1.00 19.92 H new ATOM 0 HB3 ASP B 85 17.020 -15.213 23.948 1.00 19.92 H new ATOM 1670 N ASN B 86 16.155 -13.110 21.299 1.00 18.79 N ATOM 1671 CA ASN B 86 15.396 -13.459 20.059 1.00 18.06 C ATOM 1672 C ASN B 86 15.904 -12.839 18.846 1.00 18.98 C ATOM 1673 O ASN B 86 15.227 -12.762 17.810 1.00 20.05 O ATOM 1674 CB ASN B 86 13.914 -13.163 20.268 1.00 17.69 C ATOM 1675 CG ASN B 86 13.269 -14.223 21.097 1.00 21.43 C ATOM 1676 OD1 ASN B 86 12.887 -15.259 20.528 1.00 22.33 O ATOM 1677 ND2 ASN B 86 13.236 -14.060 22.439 1.00 17.28 N ATOM 0 H ASN B 86 15.953 -12.352 21.651 1.00 18.79 H new ATOM 0 HA ASN B 86 15.523 -14.409 19.912 1.00 18.06 H new ATOM 0 HB2 ASN B 86 13.811 -12.301 20.701 1.00 17.69 H new ATOM 0 HB3 ASN B 86 13.468 -13.104 19.409 1.00 17.69 H new ATOM 0 HD21 ASN B 86 12.940 -14.692 22.942 1.00 17.28 H new ATOM 0 HD22 ASN B 86 13.511 -13.325 22.790 1.00 17.28 H new ATOM 1678 N ASN B 87 17.133 -12.338 18.935 1.00 18.64 N ATOM 1679 CA ASN B 87 17.782 -11.745 17.815 1.00 16.79 C ATOM 1680 C ASN B 87 17.012 -10.591 17.145 1.00 17.17 C ATOM 1681 O ASN B 87 17.109 -10.397 15.940 1.00 14.98 O ATOM 1682 CB ASN B 87 18.148 -12.819 16.824 1.00 24.74 C ATOM 1683 CG ASN B 87 19.210 -13.741 17.358 1.00 29.22 C ATOM 1684 OD1 ASN B 87 19.087 -14.954 17.290 1.00 39.05 O ATOM 1685 ND2 ASN B 87 20.243 -13.164 17.903 1.00 28.31 N ATOM 0 H ASN B 87 17.601 -12.341 19.656 1.00 18.64 H new ATOM 0 HA ASN B 87 18.582 -11.318 18.159 1.00 16.79 H new ATOM 0 HB2 ASN B 87 17.357 -13.334 16.599 1.00 24.74 H new ATOM 0 HB3 ASN B 87 18.461 -12.407 16.003 1.00 24.74 H new ATOM 0 HD21 ASN B 87 20.877 -13.641 18.235 1.00 28.31 H new ATOM 0 HD22 ASN B 87 20.291 -12.306 17.931 1.00 28.31 H new ATOM 1686 N VAL B 88 16.230 -9.835 17.923 1.00 16.42 N ATOM 1687 CA VAL B 88 15.493 -8.704 17.357 1.00 17.42 C ATOM 1688 C VAL B 88 16.453 -7.575 16.997 1.00 19.46 C ATOM 1689 O VAL B 88 17.490 -7.385 17.667 1.00 18.30 O ATOM 1690 CB VAL B 88 14.400 -8.280 18.384 1.00 16.92 C ATOM 1691 CG1 VAL B 88 13.770 -6.878 18.142 1.00 16.25 C ATOM 1692 CG2 VAL B 88 13.302 -9.353 18.390 1.00 17.54 C ATOM 0 H VAL B 88 16.115 -9.958 18.766 1.00 16.42 H new ATOM 0 HA VAL B 88 15.051 -8.949 16.529 1.00 17.42 H new ATOM 0 HB VAL B 88 14.844 -8.206 19.243 1.00 16.92 H new ATOM 0 HG11 VAL B 88 13.105 -6.700 18.825 1.00 16.25 H new ATOM 0 HG12 VAL B 88 14.463 -6.200 18.182 1.00 16.25 H new ATOM 0 HG13 VAL B 88 13.349 -6.859 17.268 1.00 16.25 H new ATOM 0 HG21 VAL B 88 12.611 -9.106 19.025 1.00 17.54 H new ATOM 0 HG22 VAL B 88 12.915 -9.425 17.503 1.00 17.54 H new ATOM 0 HG23 VAL B 88 13.685 -10.207 18.646 1.00 17.54 H new ATOM 1693 N ASN B 89 16.133 -6.829 15.959 1.00 18.16 N ATOM 1694 CA ASN B 89 16.936 -5.660 15.553 1.00 17.99 C ATOM 1695 C ASN B 89 16.722 -4.496 16.546 1.00 16.68 C ATOM 1696 O ASN B 89 15.716 -3.823 16.494 1.00 15.98 O ATOM 1697 CB ASN B 89 16.553 -5.228 14.144 1.00 18.16 C ATOM 1698 CG ASN B 89 17.339 -3.986 13.606 1.00 20.48 C ATOM 1699 OD1 ASN B 89 16.716 -3.035 13.094 1.00 24.46 O ATOM 1700 ND2 ASN B 89 18.650 -4.020 13.642 1.00 19.49 N ATOM 0 H ASN B 89 15.447 -6.974 15.461 1.00 18.16 H new ATOM 0 HA ASN B 89 17.874 -5.906 15.560 1.00 17.99 H new ATOM 0 HB2 ASN B 89 16.697 -5.973 13.540 1.00 18.16 H new ATOM 0 HB3 ASN B 89 15.604 -5.028 14.127 1.00 18.16 H new ATOM 0 HD21 ASN B 89 19.106 -3.373 13.306 1.00 19.49 H new ATOM 0 HD22 ASN B 89 19.053 -4.689 14.002 1.00 19.49 H new ATOM 1701 N ILE B 90 17.715 -4.284 17.401 1.00 14.61 N ATOM 1702 CA ILE B 90 17.678 -3.216 18.423 1.00 12.73 C ATOM 1703 C ILE B 90 18.417 -1.949 17.919 1.00 12.11 C ATOM 1704 O ILE B 90 19.567 -2.000 17.375 1.00 12.52 O ATOM 1705 CB ILE B 90 18.222 -3.751 19.739 1.00 12.75 C ATOM 1706 CG1 ILE B 90 17.388 -4.979 20.136 1.00 11.61 C ATOM 1707 CG2 ILE B 90 18.251 -2.655 20.844 1.00 11.15 C ATOM 1708 CD1 ILE B 90 17.923 -5.762 21.292 1.00 12.39 C ATOM 0 H ILE B 90 18.436 -4.752 17.413 1.00 14.61 H new ATOM 0 HA ILE B 90 16.762 -2.942 18.584 1.00 12.73 H new ATOM 0 HB ILE B 90 19.148 -4.020 19.631 1.00 12.75 H new ATOM 0 HG12 ILE B 90 16.488 -4.686 20.350 1.00 11.61 H new ATOM 0 HG13 ILE B 90 17.319 -5.568 19.368 1.00 11.61 H new ATOM 0 HG21 ILE B 90 18.603 -3.033 21.665 1.00 11.15 H new ATOM 0 HG22 ILE B 90 18.817 -1.921 20.558 1.00 11.15 H new ATOM 0 HG23 ILE B 90 17.351 -2.327 20.999 1.00 11.15 H new ATOM 0 HD11 ILE B 90 17.338 -6.514 21.472 1.00 12.39 H new ATOM 0 HD12 ILE B 90 18.811 -6.088 21.079 1.00 12.39 H new ATOM 0 HD13 ILE B 90 17.967 -5.192 22.076 1.00 12.39 H new ATOM 1709 N LEU B 91 17.747 -0.831 18.083 1.00 11.61 N ATOM 1710 CA LEU B 91 18.297 0.430 17.687 1.00 14.68 C ATOM 1711 C LEU B 91 18.737 1.243 18.906 1.00 13.16 C ATOM 1712 O LEU B 91 18.227 1.076 19.988 1.00 14.83 O ATOM 1713 CB LEU B 91 17.256 1.217 16.898 1.00 16.76 C ATOM 1714 CG LEU B 91 16.617 0.503 15.706 1.00 17.18 C ATOM 1715 CD1 LEU B 91 15.370 1.254 15.249 1.00 20.15 C ATOM 1716 CD2 LEU B 91 17.708 0.557 14.640 1.00 20.82 C ATOM 0 H LEU B 91 16.960 -0.786 18.428 1.00 11.61 H new ATOM 0 HA LEU B 91 19.075 0.264 17.132 1.00 14.68 H new ATOM 0 HB2 LEU B 91 16.549 1.481 17.508 1.00 16.76 H new ATOM 0 HB3 LEU B 91 17.672 2.032 16.576 1.00 16.76 H new ATOM 0 HG LEU B 91 16.330 -0.402 15.905 1.00 17.18 H new ATOM 0 HD11 LEU B 91 14.973 0.793 14.493 1.00 20.15 H new ATOM 0 HD12 LEU B 91 14.730 1.292 15.977 1.00 20.15 H new ATOM 0 HD13 LEU B 91 15.613 2.155 14.986 1.00 20.15 H new ATOM 0 HD21 LEU B 91 17.393 0.122 13.832 1.00 20.82 H new ATOM 0 HD22 LEU B 91 17.925 1.482 14.445 1.00 20.82 H new ATOM 0 HD23 LEU B 91 18.500 0.101 14.964 1.00 20.82 H new ATOM 1717 N GLU B 92 19.726 2.114 18.712 1.00 15.84 N ATOM 1718 CA GLU B 92 20.225 2.955 19.837 1.00 16.93 C ATOM 1719 C GLU B 92 19.243 4.059 20.178 1.00 15.49 C ATOM 1720 O GLU B 92 18.675 4.695 19.275 1.00 16.37 O ATOM 1721 CB GLU B 92 21.578 3.638 19.487 1.00 17.57 C ATOM 1722 CG GLU B 92 22.712 2.662 19.366 1.00 21.13 C ATOM 1723 CD GLU B 92 22.849 1.912 20.658 1.00 24.61 C ATOM 1724 OE1 GLU B 92 22.404 0.735 20.693 1.00 30.82 O ATOM 1725 OE2 GLU B 92 23.242 2.552 21.638 1.00 23.85 O ATOM 0 H GLU B 92 20.123 2.242 17.960 1.00 15.84 H new ATOM 0 HA GLU B 92 20.337 2.354 20.590 1.00 16.93 H new ATOM 0 HB2 GLU B 92 21.484 4.122 18.652 1.00 17.57 H new ATOM 0 HB3 GLU B 92 21.792 4.291 20.171 1.00 17.57 H new ATOM 0 HG2 GLU B 92 22.547 2.045 18.636 1.00 21.13 H new ATOM 0 HG3 GLU B 92 23.537 3.130 19.161 1.00 21.13 H new ATOM 1726 N GLY B 93 19.128 4.354 21.467 1.00 12.40 N ATOM 1727 CA GLY B 93 18.347 5.472 21.917 1.00 14.41 C ATOM 1728 C GLY B 93 19.282 6.578 22.417 1.00 17.90 C ATOM 1729 O GLY B 93 20.430 6.674 21.962 1.00 16.10 O ATOM 0 H GLY B 93 19.504 3.906 22.098 1.00 12.40 H new ATOM 0 HA2 GLY B 93 17.794 5.805 21.193 1.00 14.41 H new ATOM 0 HA3 GLY B 93 17.748 5.195 22.628 1.00 14.41 H new ATOM 1730 N ARG B 94 18.746 7.417 23.282 1.00 19.59 N ATOM 1731 CA ARG B 94 19.493 8.464 24.014 1.00 24.43 C ATOM 1732 C ARG B 94 20.571 7.882 24.929 1.00 23.15 C ATOM 1733 O ARG B 94 20.547 6.724 25.341 1.00 18.31 O ATOM 1734 CB ARG B 94 18.524 9.341 24.847 1.00 27.36 C ATOM 1735 CG ARG B 94 17.640 10.280 24.012 1.00 37.37 C ATOM 1736 CD ARG B 94 16.419 10.817 24.795 1.00 41.73 C ATOM 1737 NE ARG B 94 16.132 12.229 24.456 1.00 55.35 N ATOM 1738 CZ ARG B 94 15.221 13.018 25.046 1.00 53.88 C ATOM 1739 NH1 ARG B 94 15.068 14.273 24.628 1.00 53.46 N ATOM 1740 NH2 ARG B 94 14.461 12.575 26.042 1.00 54.15 N ATOM 0 H ARG B 94 17.908 7.405 23.477 1.00 19.59 H new ATOM 0 HA ARG B 94 19.936 9.009 23.345 1.00 24.43 H new ATOM 0 HB2 ARG B 94 17.953 8.761 25.374 1.00 27.36 H new ATOM 0 HB3 ARG B 94 19.042 9.873 25.471 1.00 27.36 H new ATOM 0 HG2 ARG B 94 18.174 11.028 23.703 1.00 37.37 H new ATOM 0 HG3 ARG B 94 17.330 9.808 23.224 1.00 37.37 H new ATOM 0 HD2 ARG B 94 15.642 10.272 24.597 1.00 41.73 H new ATOM 0 HD3 ARG B 94 16.585 10.740 25.748 1.00 41.73 H new ATOM 0 HE ARG B 94 16.594 12.577 23.819 1.00 55.35 H new ATOM 0 HH11 ARG B 94 15.552 14.574 23.983 1.00 53.46 H new ATOM 0 HH12 ARG B 94 14.486 14.783 25.003 1.00 53.46 H new ATOM 0 HH21 ARG B 94 14.547 11.766 26.322 1.00 54.15 H new ATOM 0 HH22 ARG B 94 13.883 13.097 26.407 1.00 54.15 H new ATOM 1741 N VAL B 95 21.593 8.686 25.186 1.00 23.83 N ATOM 1742 CA VAL B 95 22.590 8.327 26.138 1.00 22.90 C ATOM 1743 C VAL B 95 21.881 7.932 27.459 1.00 23.25 C ATOM 1744 O VAL B 95 20.964 8.628 27.833 1.00 24.73 O ATOM 1745 CB VAL B 95 23.535 9.556 26.341 1.00 29.04 C ATOM 1746 CG1 VAL B 95 24.545 9.285 27.462 1.00 26.84 C ATOM 1747 CG2 VAL B 95 24.248 9.881 25.011 1.00 23.93 C ATOM 0 H VAL B 95 21.716 9.449 24.808 1.00 23.83 H new ATOM 0 HA VAL B 95 23.122 7.574 25.836 1.00 22.90 H new ATOM 0 HB VAL B 95 23.007 10.325 26.607 1.00 29.04 H new ATOM 0 HG11 VAL B 95 25.121 10.058 27.572 1.00 26.84 H new ATOM 0 HG12 VAL B 95 24.071 9.115 28.291 1.00 26.84 H new ATOM 0 HG13 VAL B 95 25.083 8.511 27.233 1.00 26.84 H new ATOM 0 HG21 VAL B 95 24.835 10.643 25.136 1.00 23.93 H new ATOM 0 HG22 VAL B 95 24.771 9.114 24.728 1.00 23.93 H new ATOM 0 HG23 VAL B 95 23.587 10.090 24.332 1.00 23.93 H new ATOM 1748 N ARG B 96 22.308 6.826 28.109 1.00 21.62 N ATOM 1749 CA ARG B 96 21.703 6.218 29.313 1.00 26.42 C ATOM 1750 C ARG B 96 20.245 5.708 29.197 1.00 24.44 C ATOM 1751 O ARG B 96 19.648 5.371 30.196 1.00 25.88 O ATOM 1752 CB ARG B 96 21.828 7.079 30.611 1.00 27.44 C ATOM 1753 CG ARG B 96 23.211 7.641 30.943 1.00 33.08 C ATOM 1754 CD ARG B 96 23.483 7.616 32.451 1.00 35.17 C ATOM 1755 NE ARG B 96 24.523 6.615 32.739 1.00 41.95 N ATOM 1756 CZ ARG B 96 24.439 5.643 33.649 1.00 44.90 C ATOM 1757 NH1 ARG B 96 25.464 4.802 33.805 1.00 50.21 N ATOM 1758 NH2 ARG B 96 23.366 5.522 34.429 1.00 36.63 N ATOM 0 H ARG B 96 22.998 6.389 27.840 1.00 21.62 H new ATOM 0 HA ARG B 96 22.265 5.431 29.386 1.00 26.42 H new ATOM 0 HB2 ARG B 96 21.210 7.823 30.539 1.00 27.44 H new ATOM 0 HB3 ARG B 96 21.535 6.538 31.361 1.00 27.44 H new ATOM 0 HG2 ARG B 96 23.890 7.124 30.482 1.00 33.08 H new ATOM 0 HG3 ARG B 96 23.278 8.552 30.616 1.00 33.08 H new ATOM 0 HD2 ARG B 96 23.769 8.492 32.753 1.00 35.17 H new ATOM 0 HD3 ARG B 96 22.670 7.401 32.934 1.00 35.17 H new ATOM 0 HE ARG B 96 25.249 6.661 32.280 1.00 41.95 H new ATOM 0 HH11 ARG B 96 26.170 4.890 33.321 1.00 50.21 H new ATOM 0 HH12 ARG B 96 25.419 4.172 34.389 1.00 50.21 H new ATOM 0 HH21 ARG B 96 22.713 6.076 34.351 1.00 36.63 H new ATOM 0 HH22 ARG B 96 23.327 4.890 35.011 1.00 36.63 H new ATOM 1759 N ASP B 97 19.674 5.647 28.004 1.00 22.39 N ATOM 1760 CA ASP B 97 18.379 4.929 27.888 1.00 21.15 C ATOM 1761 C ASP B 97 18.446 3.486 28.407 1.00 18.84 C ATOM 1762 O ASP B 97 17.488 3.002 28.979 1.00 16.13 O ATOM 1763 CB ASP B 97 17.815 5.014 26.467 1.00 21.73 C ATOM 1764 CG ASP B 97 17.041 6.328 26.218 1.00 24.37 C ATOM 1765 OD1 ASP B 97 16.612 6.581 25.075 1.00 22.29 O ATOM 1766 OD2 ASP B 97 16.827 7.095 27.182 1.00 27.91 O ATOM 0 H ASP B 97 19.985 5.988 27.278 1.00 22.39 H new ATOM 0 HA ASP B 97 17.754 5.387 28.472 1.00 21.15 H new ATOM 0 HB2 ASP B 97 18.542 4.944 25.829 1.00 21.73 H new ATOM 0 HB3 ASP B 97 17.226 4.260 26.310 1.00 21.73 H new ATOM 1767 N ILE B 98 19.564 2.777 28.198 1.00 19.60 N ATOM 1768 CA ILE B 98 19.661 1.382 28.690 1.00 21.41 C ATOM 1769 C ILE B 98 20.050 1.291 30.183 1.00 22.85 C ATOM 1770 O ILE B 98 19.327 0.707 30.987 1.00 23.18 O ATOM 1771 CB ILE B 98 20.563 0.523 27.801 1.00 22.42 C ATOM 1772 CG1 ILE B 98 20.032 0.525 26.341 1.00 21.60 C ATOM 1773 CG2 ILE B 98 20.688 -0.920 28.313 1.00 22.53 C ATOM 1774 CD1 ILE B 98 18.655 -0.088 26.249 1.00 21.07 C ATOM 0 H ILE B 98 20.261 3.069 27.787 1.00 19.60 H new ATOM 0 HA ILE B 98 18.766 1.012 28.629 1.00 21.41 H new ATOM 0 HB ILE B 98 21.449 0.916 27.828 1.00 22.42 H new ATOM 0 HG12 ILE B 98 20.005 1.435 26.007 1.00 21.60 H new ATOM 0 HG13 ILE B 98 20.645 0.033 25.772 1.00 21.60 H new ATOM 0 HG21 ILE B 98 21.267 -1.425 27.720 1.00 22.53 H new ATOM 0 HG22 ILE B 98 21.066 -0.915 29.206 1.00 22.53 H new ATOM 0 HG23 ILE B 98 19.810 -1.333 28.336 1.00 22.53 H new ATOM 0 HD11 ILE B 98 18.354 -0.071 25.327 1.00 21.07 H new ATOM 0 HD12 ILE B 98 18.688 -1.006 26.561 1.00 21.07 H new ATOM 0 HD13 ILE B 98 18.038 0.419 26.800 1.00 21.07 H new ATOM 1775 N ARG B 99 21.173 1.903 30.548 1.00 24.90 N ATOM 1776 CA ARG B 99 21.627 1.916 31.946 1.00 23.90 C ATOM 1777 C ARG B 99 20.546 2.463 32.896 1.00 24.21 C ATOM 1778 O ARG B 99 20.317 1.848 33.920 1.00 27.15 O ATOM 1779 CB ARG B 99 23.008 2.607 32.088 1.00 28.03 C ATOM 1780 CG ARG B 99 24.187 1.804 31.480 1.00 31.07 C ATOM 1781 CD ARG B 99 25.453 2.641 31.225 1.00 34.32 C ATOM 1782 NE ARG B 99 25.435 3.411 29.968 1.00 33.96 N ATOM 1783 CZ ARG B 99 26.197 4.483 29.721 1.00 38.44 C ATOM 1784 NH1 ARG B 99 27.062 4.956 30.640 1.00 37.85 N ATOM 1785 NH2 ARG B 99 26.078 5.116 28.565 1.00 38.63 N ATOM 0 H ARG B 99 21.691 2.319 30.003 1.00 24.90 H new ATOM 0 HA ARG B 99 21.767 0.998 32.227 1.00 23.90 H new ATOM 0 HB2 ARG B 99 22.968 3.477 31.661 1.00 28.03 H new ATOM 0 HB3 ARG B 99 23.186 2.761 33.029 1.00 28.03 H new ATOM 0 HG2 ARG B 99 24.409 1.073 32.077 1.00 31.07 H new ATOM 0 HG3 ARG B 99 23.898 1.409 30.643 1.00 31.07 H new ATOM 0 HD2 ARG B 99 25.575 3.256 31.966 1.00 34.32 H new ATOM 0 HD3 ARG B 99 26.222 2.050 31.218 1.00 34.32 H new ATOM 0 HE ARG B 99 24.896 3.153 29.349 1.00 33.96 H new ATOM 0 HH11 ARG B 99 27.133 4.567 31.404 1.00 37.85 H new ATOM 0 HH12 ARG B 99 27.543 5.646 30.462 1.00 37.85 H new ATOM 0 HH21 ARG B 99 25.514 4.838 27.979 1.00 38.63 H new ATOM 0 HH22 ARG B 99 26.565 5.806 28.400 1.00 38.63 H new ATOM 1786 N ASP B 100 19.837 3.550 32.558 1.00 21.64 N ATOM 1787 CA ASP B 100 18.779 4.079 33.467 1.00 22.61 C ATOM 1788 C ASP B 100 17.364 3.515 33.189 1.00 20.61 C ATOM 1789 O ASP B 100 16.365 3.988 33.727 1.00 21.52 O ATOM 1790 CB ASP B 100 18.750 5.608 33.415 1.00 24.99 C ATOM 1791 CG ASP B 100 20.023 6.230 33.997 1.00 29.38 C ATOM 1792 OD1 ASP B 100 20.291 7.417 33.738 1.00 29.31 O ATOM 1793 OD2 ASP B 100 20.733 5.501 34.703 1.00 29.96 O ATOM 0 H ASP B 100 19.942 3.992 31.828 1.00 21.64 H new ATOM 0 HA ASP B 100 19.021 3.776 34.356 1.00 22.61 H new ATOM 0 HB2 ASP B 100 18.642 5.897 32.495 1.00 24.99 H new ATOM 0 HB3 ASP B 100 17.979 5.932 33.907 1.00 24.99 H new ATOM 1794 N ARG B 101 17.287 2.530 32.304 1.00 23.43 N ATOM 1795 CA ARG B 101 16.031 1.751 32.128 1.00 23.39 C ATOM 1796 C ARG B 101 14.898 2.682 31.704 1.00 18.71 C ATOM 1797 O ARG B 101 13.797 2.686 32.270 1.00 18.82 O ATOM 1798 CB ARG B 101 15.697 0.902 33.388 1.00 24.30 C ATOM 1799 CG ARG B 101 16.771 -0.146 33.727 1.00 26.25 C ATOM 1800 CD ARG B 101 16.351 -0.984 34.923 1.00 29.21 C ATOM 1801 NE ARG B 101 16.492 -0.234 36.181 1.00 31.66 N ATOM 1802 CZ ARG B 101 15.739 -0.441 37.269 1.00 36.50 C ATOM 1803 NH1 ARG B 101 14.745 -1.348 37.288 1.00 34.07 N ATOM 1804 NH2 ARG B 101 15.960 0.283 38.349 1.00 34.27 N ATOM 0 H ARG B 101 17.935 2.287 31.793 1.00 23.43 H new ATOM 0 HA ARG B 101 16.155 1.106 31.414 1.00 23.39 H new ATOM 0 HB2 ARG B 101 15.583 1.495 34.147 1.00 24.30 H new ATOM 0 HB3 ARG B 101 14.849 0.452 33.250 1.00 24.30 H new ATOM 0 HG2 ARG B 101 16.920 -0.721 32.960 1.00 26.25 H new ATOM 0 HG3 ARG B 101 17.613 0.297 33.917 1.00 26.25 H new ATOM 0 HD2 ARG B 101 15.429 -1.266 34.814 1.00 29.21 H new ATOM 0 HD3 ARG B 101 16.891 -1.789 34.962 1.00 29.21 H new ATOM 0 HE ARG B 101 17.097 0.376 36.220 1.00 31.66 H new ATOM 0 HH11 ARG B 101 14.577 -1.816 36.587 1.00 34.07 H new ATOM 0 HH12 ARG B 101 14.278 -1.459 38.001 1.00 34.07 H new ATOM 0 HH21 ARG B 101 16.581 0.878 38.348 1.00 34.27 H new ATOM 0 HH22 ARG B 101 15.483 0.160 39.054 1.00 34.27 H new ATOM 1805 N GLN B 102 15.208 3.471 30.676 1.00 18.28 N ATOM 1806 CA GLN B 102 14.253 4.431 30.134 1.00 17.92 C ATOM 1807 C GLN B 102 13.530 3.856 28.891 1.00 16.40 C ATOM 1808 O GLN B 102 12.310 3.844 28.862 1.00 17.63 O ATOM 1809 CB GLN B 102 14.975 5.707 29.776 1.00 20.91 C ATOM 1810 CG GLN B 102 15.726 6.360 30.984 1.00 21.39 C ATOM 1811 CD GLN B 102 14.808 6.915 32.085 1.00 26.80 C ATOM 1812 OE1 GLN B 102 15.067 7.983 32.623 1.00 33.37 O ATOM 1813 NE2 GLN B 102 13.765 6.187 32.447 1.00 27.37 N ATOM 0 H GLN B 102 15.970 3.464 30.278 1.00 18.28 H new ATOM 0 HA GLN B 102 13.581 4.617 30.808 1.00 17.92 H new ATOM 0 HB2 GLN B 102 15.613 5.522 29.070 1.00 20.91 H new ATOM 0 HB3 GLN B 102 14.335 6.343 29.420 1.00 20.91 H new ATOM 0 HG2 GLN B 102 16.319 5.700 31.376 1.00 21.39 H new ATOM 0 HG3 GLN B 102 16.284 7.080 30.651 1.00 21.39 H new ATOM 0 HE21 GLN B 102 13.605 5.440 32.053 1.00 27.37 H new ATOM 0 HE22 GLN B 102 13.247 6.461 33.076 1.00 27.37 H new ATOM 1814 N SER B 103 14.291 3.421 27.908 1.00 15.15 N ATOM 1815 CA SER B 103 13.735 3.053 26.587 1.00 14.08 C ATOM 1816 C SER B 103 14.547 1.997 25.888 1.00 13.95 C ATOM 1817 O SER B 103 15.804 2.076 25.864 1.00 13.28 O ATOM 1818 CB SER B 103 13.708 4.299 25.668 1.00 15.21 C ATOM 1819 OG SER B 103 12.766 5.272 26.182 1.00 19.40 O ATOM 0 H SER B 103 15.143 3.325 27.971 1.00 15.15 H new ATOM 0 HA SER B 103 12.845 2.705 26.751 1.00 14.08 H new ATOM 0 HB2 SER B 103 14.594 4.691 25.616 1.00 15.21 H new ATOM 0 HB3 SER B 103 13.459 4.041 24.767 1.00 15.21 H new ATOM 0 HG SER B 103 12.132 5.363 25.638 1.00 19.40 H new ATOM 1820 N ILE B 104 13.832 1.099 25.187 1.00 10.91 N ATOM 1821 CA ILE B 104 14.430 0.209 24.193 1.00 11.38 C ATOM 1822 C ILE B 104 13.792 0.521 22.826 1.00 10.57 C ATOM 1823 O ILE B 104 12.555 0.620 22.716 1.00 11.32 O ATOM 1824 CB ILE B 104 14.154 -1.287 24.561 1.00 11.26 C ATOM 1825 CG1 ILE B 104 14.580 -1.561 26.050 1.00 11.84 C ATOM 1826 CG2 ILE B 104 14.845 -2.200 23.545 1.00 10.31 C ATOM 1827 CD1 ILE B 104 14.029 -2.833 26.674 1.00 12.07 C ATOM 0 H ILE B 104 12.984 0.994 25.281 1.00 10.91 H new ATOM 0 HA ILE B 104 15.390 0.348 24.167 1.00 11.38 H new ATOM 0 HB ILE B 104 13.205 -1.483 24.510 1.00 11.26 H new ATOM 0 HG12 ILE B 104 15.549 -1.595 26.090 1.00 11.84 H new ATOM 0 HG13 ILE B 104 14.300 -0.807 26.592 1.00 11.84 H new ATOM 0 HG21 ILE B 104 14.674 -3.127 23.774 1.00 10.31 H new ATOM 0 HG22 ILE B 104 14.499 -2.017 22.657 1.00 10.31 H new ATOM 0 HG23 ILE B 104 15.801 -2.035 23.559 1.00 10.31 H new ATOM 0 HD11 ILE B 104 14.348 -2.910 27.587 1.00 12.07 H new ATOM 0 HD12 ILE B 104 13.060 -2.801 26.672 1.00 12.07 H new ATOM 0 HD13 ILE B 104 14.328 -3.601 26.162 1.00 12.07 H new ATOM 1828 N TYR B 105 14.613 0.680 21.792 1.00 11.78 N ATOM 1829 CA TYR B 105 14.100 0.912 20.452 1.00 13.03 C ATOM 1830 C TYR B 105 14.433 -0.296 19.592 1.00 13.06 C ATOM 1831 O TYR B 105 15.545 -0.890 19.718 1.00 12.62 O ATOM 1832 CB TYR B 105 14.755 2.144 19.843 1.00 13.46 C ATOM 1833 CG TYR B 105 14.428 3.429 20.614 1.00 16.24 C ATOM 1834 CD1 TYR B 105 13.331 4.200 20.256 1.00 17.99 C ATOM 1835 CD2 TYR B 105 15.195 3.851 21.715 1.00 18.62 C ATOM 1836 CE1 TYR B 105 13.025 5.361 20.947 1.00 19.74 C ATOM 1837 CE2 TYR B 105 14.868 5.032 22.422 1.00 18.25 C ATOM 1838 CZ TYR B 105 13.780 5.774 21.992 1.00 18.03 C ATOM 1839 OH TYR B 105 13.350 6.923 22.650 1.00 22.49 O ATOM 0 H TYR B 105 15.471 0.657 21.848 1.00 11.78 H new ATOM 0 HA TYR B 105 13.141 1.051 20.494 1.00 13.03 H new ATOM 0 HB2 TYR B 105 15.717 2.018 19.824 1.00 13.46 H new ATOM 0 HB3 TYR B 105 14.463 2.240 18.923 1.00 13.46 H new ATOM 0 HD1 TYR B 105 12.795 3.934 19.544 1.00 17.99 H new ATOM 0 HD2 TYR B 105 15.929 3.346 21.982 1.00 18.62 H new ATOM 0 HE1 TYR B 105 12.288 5.866 20.688 1.00 19.74 H new ATOM 0 HE2 TYR B 105 15.370 5.303 23.156 1.00 18.25 H new ATOM 0 HH TYR B 105 13.877 7.099 23.280 1.00 22.49 H new ATOM 1840 N PHE B 106 13.512 -0.656 18.706 1.00 10.71 N ATOM 1841 CA PHE B 106 13.733 -1.878 17.963 1.00 11.54 C ATOM 1842 C PHE B 106 12.854 -1.812 16.748 1.00 12.18 C ATOM 1843 O PHE B 106 11.976 -0.948 16.709 1.00 13.40 O ATOM 1844 CB PHE B 106 13.504 -3.166 18.777 1.00 10.01 C ATOM 1845 CG PHE B 106 12.129 -3.261 19.457 1.00 10.02 C ATOM 1846 CD1 PHE B 106 11.167 -4.146 19.002 1.00 8.71 C ATOM 1847 CD2 PHE B 106 11.820 -2.439 20.521 1.00 9.67 C ATOM 1848 CE1 PHE B 106 9.902 -4.221 19.648 1.00 9.27 C ATOM 1849 CE2 PHE B 106 10.599 -2.524 21.215 1.00 10.11 C ATOM 1850 CZ PHE B 106 9.629 -3.422 20.758 1.00 8.87 C ATOM 0 H PHE B 106 12.787 -0.228 18.528 1.00 10.71 H new ATOM 0 HA PHE B 106 14.670 -1.933 17.718 1.00 11.54 H new ATOM 0 HB2 PHE B 106 13.614 -3.929 18.189 1.00 10.01 H new ATOM 0 HB3 PHE B 106 14.193 -3.231 19.457 1.00 10.01 H new ATOM 0 HD1 PHE B 106 11.348 -4.693 18.272 1.00 8.71 H new ATOM 0 HD2 PHE B 106 12.443 -1.804 20.790 1.00 9.67 H new ATOM 0 HE1 PHE B 106 9.253 -4.806 19.328 1.00 9.27 H new ATOM 0 HE2 PHE B 106 10.440 -1.994 21.962 1.00 10.11 H new ATOM 0 HZ PHE B 106 8.808 -3.486 21.191 1.00 8.87 H new ATOM 1851 N THR B 107 13.070 -2.711 15.779 1.00 13.28 N ATOM 1852 CA THR B 107 12.087 -2.829 14.636 1.00 12.18 C ATOM 1853 C THR B 107 11.408 -4.199 14.586 1.00 12.35 C ATOM 1854 O THR B 107 11.935 -5.207 15.134 1.00 11.31 O ATOM 1855 CB THR B 107 12.720 -2.605 13.253 1.00 14.44 C ATOM 1856 OG1 THR B 107 13.746 -3.583 13.000 1.00 17.47 O ATOM 1857 CG2 THR B 107 13.259 -1.141 13.087 1.00 13.82 C ATOM 0 H THR B 107 13.741 -3.248 15.745 1.00 13.28 H new ATOM 0 HA THR B 107 11.442 -2.128 14.820 1.00 12.18 H new ATOM 0 HB THR B 107 12.025 -2.722 12.586 1.00 14.44 H new ATOM 0 HG1 THR B 107 14.501 -3.223 13.076 1.00 17.47 H new ATOM 0 HG21 THR B 107 13.650 -1.038 12.205 1.00 13.82 H new ATOM 0 HG22 THR B 107 12.527 -0.513 13.191 1.00 13.82 H new ATOM 0 HG23 THR B 107 13.934 -0.966 13.762 1.00 13.82 H new ATOM 1858 N ASP B 108 10.220 -4.232 13.965 1.00 10.97 N ATOM 1859 CA ASP B 108 9.612 -5.561 13.753 1.00 10.49 C ATOM 1860 C ASP B 108 10.320 -6.178 12.535 1.00 11.13 C ATOM 1861 O ASP B 108 11.219 -5.544 11.958 1.00 12.46 O ATOM 1862 CB ASP B 108 8.066 -5.471 13.642 1.00 10.42 C ATOM 1863 CG ASP B 108 7.570 -5.003 12.281 1.00 10.61 C ATOM 1864 OD1 ASP B 108 6.332 -5.026 12.180 1.00 12.68 O ATOM 1865 OD2 ASP B 108 8.317 -4.579 11.335 1.00 10.93 O ATOM 0 H ASP B 108 9.776 -3.554 13.677 1.00 10.97 H new ATOM 0 HA ASP B 108 9.743 -6.149 14.513 1.00 10.49 H new ATOM 0 HB2 ASP B 108 7.686 -6.343 13.832 1.00 10.42 H new ATOM 0 HB3 ASP B 108 7.737 -4.863 14.323 1.00 10.42 H new ATOM 1866 N PRO B 109 9.937 -7.418 12.126 1.00 12.07 N ATOM 1867 CA PRO B 109 10.604 -8.022 10.962 1.00 11.93 C ATOM 1868 C PRO B 109 10.581 -7.192 9.664 1.00 13.51 C ATOM 1869 O PRO B 109 11.451 -7.381 8.816 1.00 12.46 O ATOM 1870 CB PRO B 109 9.817 -9.351 10.779 1.00 12.80 C ATOM 1871 CG PRO B 109 9.490 -9.696 12.237 1.00 11.89 C ATOM 1872 CD PRO B 109 8.966 -8.336 12.707 1.00 10.62 C ATOM 0 HA PRO B 109 11.555 -8.114 11.127 1.00 11.93 H new ATOM 0 HB2 PRO B 109 9.018 -9.234 10.241 1.00 12.80 H new ATOM 0 HB3 PRO B 109 10.350 -10.038 10.349 1.00 12.80 H new ATOM 0 HG2 PRO B 109 8.825 -10.398 12.314 1.00 11.89 H new ATOM 0 HG3 PRO B 109 10.270 -9.987 12.735 1.00 11.89 H new ATOM 0 HD2 PRO B 109 8.067 -8.163 12.387 1.00 10.62 H new ATOM 0 HD3 PRO B 109 8.940 -8.272 13.675 1.00 10.62 H new ATOM 1873 N ASP B 110 9.649 -6.259 9.518 1.00 12.97 N ATOM 1874 CA ASP B 110 9.554 -5.482 8.293 1.00 13.53 C ATOM 1875 C ASP B 110 10.182 -4.109 8.425 1.00 15.80 C ATOM 1876 O ASP B 110 10.118 -3.287 7.455 1.00 17.97 O ATOM 1877 CB ASP B 110 8.108 -5.300 7.885 1.00 15.63 C ATOM 1878 CG ASP B 110 7.451 -6.601 7.488 1.00 15.22 C ATOM 1879 OD1 ASP B 110 6.952 -7.321 8.381 1.00 13.11 O ATOM 1880 OD2 ASP B 110 7.589 -6.933 6.308 1.00 14.95 O ATOM 0 H ASP B 110 9.063 -6.061 10.116 1.00 12.97 H new ATOM 0 HA ASP B 110 10.039 -5.984 7.619 1.00 13.53 H new ATOM 0 HB2 ASP B 110 7.615 -4.903 8.620 1.00 15.63 H new ATOM 0 HB3 ASP B 110 8.060 -4.677 7.143 1.00 15.63 H new ATOM 1881 N GLY B 111 10.816 -3.846 9.573 1.00 14.90 N ATOM 1882 CA GLY B 111 11.344 -2.487 9.855 1.00 14.69 C ATOM 1883 C GLY B 111 10.478 -1.360 10.429 1.00 14.36 C ATOM 1884 O GLY B 111 10.958 -0.226 10.550 1.00 16.36 O ATOM 0 H GLY B 111 10.953 -4.423 10.196 1.00 14.90 H new ATOM 0 HA2 GLY B 111 12.088 -2.602 10.467 1.00 14.69 H new ATOM 0 HA3 GLY B 111 11.711 -2.155 9.021 1.00 14.69 H new ATOM 1885 N HIS B 112 9.245 -1.638 10.809 1.00 13.08 N ATOM 1886 CA HIS B 112 8.396 -0.672 11.510 1.00 12.69 C ATOM 1887 C HIS B 112 9.008 -0.458 12.861 1.00 12.29 C ATOM 1888 O HIS B 112 9.286 -1.436 13.560 1.00 11.54 O ATOM 1889 CB HIS B 112 7.017 -1.269 11.734 1.00 12.59 C ATOM 1890 CG HIS B 112 6.259 -1.665 10.445 1.00 14.32 C ATOM 1891 ND1 HIS B 112 5.692 -0.752 9.627 1.00 15.84 N ATOM 1892 CD2 HIS B 112 5.841 -2.925 9.978 1.00 13.41 C ATOM 1893 CE1 HIS B 112 5.021 -1.407 8.632 1.00 14.88 C ATOM 1894 NE2 HIS B 112 5.136 -2.735 8.858 1.00 13.89 N ATOM 0 H HIS B 112 8.867 -2.398 10.670 1.00 13.08 H new ATOM 0 HA HIS B 112 8.324 0.148 10.996 1.00 12.69 H new ATOM 0 HB2 HIS B 112 7.107 -2.055 12.295 1.00 12.59 H new ATOM 0 HB3 HIS B 112 6.479 -0.630 12.226 1.00 12.59 H new ATOM 0 HD2 HIS B 112 6.023 -3.745 10.378 1.00 13.41 H new ATOM 0 HE1 HIS B 112 4.566 -1.009 7.925 1.00 14.88 H new ATOM 0 HE2 HIS B 112 4.809 -3.357 8.362 1.00 13.89 H new ATOM 1895 N ALYS B 113 9.099 0.803 13.278 0.50 12.39 N ATOM 1896 N BLYS B 113 9.306 0.790 13.245 0.50 11.59 N ATOM 1897 CA ALYS B 113 9.913 1.162 14.427 0.50 11.48 C ATOM 1898 CA BLYS B 113 10.104 1.018 14.472 0.50 10.07 C ATOM 1899 C ALYS B 113 9.078 1.135 15.697 0.50 10.35 C ATOM 1900 C BLYS B 113 9.166 1.108 15.658 0.50 9.62 C ATOM 1901 O ALYS B 113 7.986 1.711 15.724 0.50 10.51 O ATOM 1902 O BLYS B 113 8.117 1.739 15.589 0.50 9.69 O ATOM 1903 CB ALYS B 113 10.477 2.556 14.204 0.50 12.78 C ATOM 1904 CB BLYS B 113 10.974 2.282 14.382 0.50 10.06 C ATOM 1905 CG ALYS B 113 11.602 2.636 13.196 0.50 13.86 C ATOM 1906 CG BLYS B 113 11.710 2.707 15.674 0.50 9.33 C ATOM 1907 CD ALYS B 113 11.761 4.105 12.776 0.50 15.71 C ATOM 1908 CD BLYS B 113 12.277 4.126 15.485 0.50 9.33 C ATOM 1909 CE ALYS B 113 12.328 4.886 13.953 0.50 17.68 C ATOM 1910 CE BLYS B 113 13.327 4.483 16.525 0.50 9.16 C ATOM 1911 NZ ALYS B 113 13.509 4.074 14.323 0.50 19.14 N ATOM 1912 NZ BLYS B 113 14.064 5.767 16.324 0.50 9.59 N ATOM 0 H ALYS B 113 8.695 1.464 12.906 0.50 11.59 H new ATOM 0 H BLYS B 113 9.066 1.502 12.827 0.50 11.59 H new ATOM 0 HA ALYS B 113 10.636 0.523 14.527 0.50 10.07 H new ATOM 0 HA BLYS B 113 10.712 0.270 14.579 0.50 10.07 H new ATOM 0 HB2ALYS B 113 9.758 3.139 13.913 0.50 10.06 H new ATOM 0 HB2BLYS B 113 11.636 2.146 13.686 0.50 10.06 H new ATOM 0 HB3ALYS B 113 10.796 2.901 15.053 0.50 10.06 H new ATOM 0 HB3BLYS B 113 10.411 3.019 14.097 0.50 10.06 H new ATOM 0 HG2ALYS B 113 12.427 2.303 13.582 0.50 9.33 H new ATOM 0 HG2BLYS B 113 11.101 2.688 16.428 0.50 9.33 H new ATOM 0 HG3ALYS B 113 11.406 2.082 12.424 0.50 9.33 H new ATOM 0 HG3BLYS B 113 12.426 2.084 15.872 0.50 9.33 H new ATOM 0 HD2ALYS B 113 12.352 4.174 12.010 0.50 9.33 H new ATOM 0 HD2BLYS B 113 12.666 4.199 14.600 0.50 9.33 H new ATOM 0 HD3ALYS B 113 10.905 4.474 12.508 0.50 9.33 H new ATOM 0 HD3BLYS B 113 11.552 4.768 15.530 0.50 9.33 H new ATOM 0 HE2ALYS B 113 12.573 5.791 13.704 0.50 9.16 H new ATOM 0 HE2BLYS B 113 12.895 4.515 17.393 0.50 9.16 H new ATOM 0 HE3ALYS B 113 11.692 4.955 14.682 0.50 9.16 H new ATOM 0 HE3BLYS B 113 13.977 3.763 16.558 0.50 9.16 H new ATOM 0 HZ1ALYS B 113 14.136 4.602 14.670 0.50 9.59 H new ATOM 0 HZ1BLYS B 113 14.671 5.865 16.968 0.50 9.59 H new ATOM 0 HZ2ALYS B 113 13.272 3.462 14.924 0.50 9.59 H new ATOM 0 HZ2BLYS B 113 14.471 5.755 15.533 0.50 9.59 H new ATOM 0 HZ3ALYS B 113 13.830 3.669 13.598 0.50 9.59 H new ATOM 0 HZ3BLYS B 113 13.490 6.447 16.352 0.50 9.59 H new ATOM 1913 N LEU B 114 9.609 0.503 16.756 1.00 9.35 N ATOM 1914 CA LEU B 114 8.799 0.269 17.918 1.00 8.63 C ATOM 1915 C LEU B 114 9.637 0.701 19.098 1.00 8.41 C ATOM 1916 O LEU B 114 10.857 0.803 18.986 1.00 8.36 O ATOM 1917 CB LEU B 114 8.391 -1.197 18.077 1.00 8.46 C ATOM 1918 CG LEU B 114 7.450 -1.648 16.898 1.00 8.54 C ATOM 1919 CD1 LEU B 114 7.432 -3.176 17.010 1.00 7.88 C ATOM 1920 CD2 LEU B 114 6.010 -1.066 16.962 1.00 8.33 C ATOM 0 H ALEU B 114 10.418 0.215 16.805 0.50 9.35 H new ATOM 0 H BLEU B 114 10.415 0.213 16.837 0.50 9.35 H new ATOM 0 HA LEU B 114 7.969 0.765 17.844 1.00 8.63 H new ATOM 0 HB2 LEU B 114 9.183 -1.757 18.096 1.00 8.46 H new ATOM 0 HB3 LEU B 114 7.936 -1.320 18.925 1.00 8.46 H new ATOM 0 HG LEU B 114 7.785 -1.317 16.050 1.00 8.54 H new ATOM 0 HD11 LEU B 114 6.868 -3.545 16.312 1.00 7.88 H new ATOM 0 HD12 LEU B 114 8.334 -3.519 16.911 1.00 7.88 H new ATOM 0 HD13 LEU B 114 7.082 -3.433 17.878 1.00 7.88 H new ATOM 0 HD21 LEU B 114 5.496 -1.389 16.205 1.00 8.33 H new ATOM 0 HD22 LEU B 114 5.583 -1.348 17.786 1.00 8.33 H new ATOM 0 HD23 LEU B 114 6.051 -0.097 16.934 1.00 8.33 H new ATOM 1921 N GLU B 115 8.978 0.984 20.208 1.00 8.79 N ATOM 1922 CA GLU B 115 9.853 1.365 21.378 1.00 10.03 C ATOM 1923 C GLU B 115 9.147 0.802 22.598 1.00 9.67 C ATOM 1924 O GLU B 115 7.886 0.775 22.623 1.00 8.79 O ATOM 1925 CB GLU B 115 9.990 2.923 21.443 1.00 11.59 C ATOM 1926 CG GLU B 115 10.406 3.485 22.822 1.00 13.64 C ATOM 1927 CD GLU B 115 10.147 5.000 22.974 1.00 18.31 C ATOM 1928 OE1 GLU B 115 9.657 5.616 21.921 1.00 16.43 O ATOM 1929 OE2 GLU B 115 10.494 5.512 24.101 1.00 16.44 O ATOM 0 H GLU B 115 8.127 0.974 20.330 1.00 8.79 H new ATOM 0 HA GLU B 115 10.755 1.014 21.312 1.00 10.03 H new ATOM 0 HB2 GLU B 115 10.643 3.205 20.784 1.00 11.59 H new ATOM 0 HB3 GLU B 115 9.142 3.320 21.190 1.00 11.59 H new ATOM 0 HG2 GLU B 115 9.922 3.010 23.516 1.00 13.64 H new ATOM 0 HG3 GLU B 115 11.350 3.310 22.963 1.00 13.64 H new ATOM 1930 N LEU B 116 9.928 0.387 23.633 1.00 10.39 N ATOM 1931 CA LEU B 116 9.384 0.148 24.997 1.00 11.08 C ATOM 1932 C LEU B 116 9.854 1.258 25.929 1.00 11.82 C ATOM 1933 O LEU B 116 11.008 1.622 25.907 1.00 12.26 O ATOM 1934 CB LEU B 116 9.832 -1.233 25.501 1.00 12.73 C ATOM 1935 CG LEU B 116 9.528 -2.458 24.618 1.00 14.01 C ATOM 1936 CD1 LEU B 116 10.004 -3.690 25.341 1.00 13.32 C ATOM 1937 CD2 LEU B 116 8.032 -2.564 24.379 1.00 14.79 C ATOM 0 H LEU B 116 10.772 0.240 23.562 1.00 10.39 H new ATOM 0 HA LEU B 116 8.414 0.158 24.974 1.00 11.08 H new ATOM 0 HB2 LEU B 116 10.791 -1.200 25.644 1.00 12.73 H new ATOM 0 HB3 LEU B 116 9.421 -1.381 26.367 1.00 12.73 H new ATOM 0 HG LEU B 116 9.978 -2.370 23.763 1.00 14.01 H new ATOM 0 HD11 LEU B 116 9.821 -4.474 24.800 1.00 13.32 H new ATOM 0 HD12 LEU B 116 10.958 -3.623 25.501 1.00 13.32 H new ATOM 0 HD13 LEU B 116 9.540 -3.768 26.189 1.00 13.32 H new ATOM 0 HD21 LEU B 116 7.847 -3.337 23.823 1.00 14.79 H new ATOM 0 HD22 LEU B 116 7.574 -2.661 25.229 1.00 14.79 H new ATOM 0 HD23 LEU B 116 7.718 -1.762 23.933 1.00 14.79 H new ATOM 1938 N HIS B 117 8.968 1.847 26.718 1.00 14.11 N ATOM 1939 CA HIS B 117 9.403 3.028 27.456 1.00 16.70 C ATOM 1940 C HIS B 117 8.871 2.829 28.864 1.00 17.79 C ATOM 1941 O HIS B 117 7.742 2.335 29.037 1.00 15.79 O ATOM 1942 CB HIS B 117 8.801 4.232 26.706 1.00 19.94 C ATOM 1943 CG HIS B 117 8.941 5.543 27.401 1.00 23.85 C ATOM 1944 ND1 HIS B 117 10.163 6.090 27.716 1.00 26.32 N ATOM 1945 CD2 HIS B 117 7.980 6.504 27.734 1.00 23.64 C ATOM 1946 CE1 HIS B 117 9.969 7.322 28.270 1.00 26.94 C ATOM 1947 NE2 HIS B 117 8.641 7.560 28.301 1.00 25.12 N ATOM 0 H HIS B 117 8.153 1.599 26.839 1.00 14.11 H new ATOM 0 HA HIS B 117 10.360 3.175 27.516 1.00 16.70 H new ATOM 0 HB2 HIS B 117 9.223 4.297 25.835 1.00 19.94 H new ATOM 0 HB3 HIS B 117 7.858 4.062 26.553 1.00 19.94 H new ATOM 0 HD2 HIS B 117 7.063 6.438 27.596 1.00 23.64 H new ATOM 0 HE1 HIS B 117 10.635 7.896 28.573 1.00 26.94 H new ATOM 0 HE2 HIS B 117 8.269 8.264 28.626 1.00 25.12 H new ATOM 1948 N THR B 118 9.663 3.191 29.882 1.00 16.27 N ATOM 1949 CA THR B 118 9.174 3.012 31.261 1.00 18.46 C ATOM 1950 C THR B 118 8.492 4.287 31.849 1.00 22.23 C ATOM 1951 O THR B 118 7.878 4.220 32.898 1.00 21.85 O ATOM 1952 CB THR B 118 10.330 2.610 32.206 1.00 16.15 C ATOM 1953 OG1 THR B 118 11.362 3.611 32.175 1.00 15.00 O ATOM 1954 CG2 THR B 118 10.945 1.249 31.849 1.00 16.81 C ATOM 0 H THR B 118 10.451 3.527 29.805 1.00 16.27 H new ATOM 0 HA THR B 118 8.508 2.309 31.207 1.00 18.46 H new ATOM 0 HB THR B 118 9.949 2.538 33.095 1.00 16.15 H new ATOM 0 HG1 THR B 118 12.111 3.239 32.099 1.00 15.00 H new ATOM 0 HG21 THR B 118 11.662 1.045 32.469 1.00 16.81 H new ATOM 0 HG22 THR B 118 10.264 0.561 31.906 1.00 16.81 H new ATOM 0 HG23 THR B 118 11.298 1.280 30.946 1.00 16.81 H new ATOM 1955 N GLY B 119 8.597 5.425 31.168 1.00 24.57 N ATOM 1956 CA GLY B 119 7.986 6.668 31.630 1.00 24.79 C ATOM 1957 C GLY B 119 6.575 6.919 31.104 1.00 27.45 C ATOM 1958 O GLY B 119 6.120 6.257 30.179 1.00 32.76 O ATOM 0 H GLY B 119 9.024 5.498 30.425 1.00 24.57 H new ATOM 0 HA2 GLY B 119 7.960 6.660 32.600 1.00 24.79 H new ATOM 0 HA3 GLY B 119 8.553 7.410 31.367 1.00 24.79 H new ATOM 1959 N THR B 120 5.890 7.906 31.673 1.00 25.39 N ATOM 1960 CA THR B 120 4.615 8.420 31.106 1.00 25.15 C ATOM 1961 C THR B 120 4.796 9.794 30.454 1.00 25.58 C ATOM 1962 O THR B 120 5.895 10.364 30.483 1.00 24.60 O ATOM 1963 CB THR B 120 3.626 8.745 32.207 1.00 27.15 C ATOM 1964 OG1 THR B 120 4.242 9.716 33.082 1.00 31.22 O ATOM 1965 CG2 THR B 120 3.197 7.512 32.966 1.00 30.50 C ATOM 0 H THR B 120 6.138 8.303 32.394 1.00 25.39 H new ATOM 0 HA THR B 120 4.324 7.729 30.491 1.00 25.15 H new ATOM 0 HB THR B 120 2.816 9.111 31.818 1.00 27.15 H new ATOM 0 HG1 THR B 120 3.710 9.913 33.701 1.00 31.22 H new ATOM 0 HG21 THR B 120 2.566 7.762 33.659 1.00 30.50 H new ATOM 0 HG22 THR B 120 2.775 6.887 32.356 1.00 30.50 H new ATOM 0 HG23 THR B 120 3.973 7.095 33.371 1.00 30.50 H new ATOM 1966 N LEU B 121 3.686 10.346 29.929 1.00 23.68 N ATOM 1967 CA LEU B 121 3.638 11.675 29.326 1.00 24.09 C ATOM 1968 C LEU B 121 3.947 12.750 30.379 1.00 23.62 C ATOM 1969 O LEU B 121 4.803 13.596 30.131 1.00 23.39 O ATOM 1970 CB LEU B 121 2.285 11.922 28.623 0.50 20.87 C ATOM 1971 CG LEU B 121 1.766 13.326 28.281 0.50 22.00 C ATOM 1972 CD1 LEU B 121 2.681 14.086 27.324 0.50 20.71 C ATOM 1973 CD2 LEU B 121 0.360 13.228 27.705 0.50 19.77 C ATOM 0 H LEU B 121 2.927 9.941 29.918 1.00 23.68 H new ATOM 0 HA LEU B 121 4.322 11.729 28.640 1.00 24.09 H new ATOM 0 HB2 LEU B 121 2.314 11.428 27.789 0.50 20.87 H new ATOM 0 HB3 LEU B 121 1.607 11.505 29.177 0.50 20.87 H new ATOM 0 HG LEU B 121 1.751 13.834 29.107 0.50 22.00 H new ATOM 0 HD11 LEU B 121 2.305 14.962 27.144 0.50 20.71 H new ATOM 0 HD12 LEU B 121 3.558 14.187 27.726 0.50 20.71 H new ATOM 0 HD13 LEU B 121 2.762 13.592 26.493 0.50 20.71 H new ATOM 0 HD21 LEU B 121 0.035 14.116 27.490 0.50 19.77 H new ATOM 0 HD22 LEU B 121 0.377 12.687 26.900 0.50 19.77 H new ATOM 0 HD23 LEU B 121 -0.229 12.818 28.357 0.50 19.77 H new ATOM 1974 N GLU B 122 3.273 12.712 31.525 1.00 25.98 N ATOM 1975 CA GLU B 122 3.646 13.608 32.655 1.00 32.23 C ATOM 1976 C GLU B 122 5.138 13.573 33.067 1.00 35.03 C ATOM 1977 O GLU B 122 5.739 14.632 33.403 1.00 34.46 O ATOM 1978 CB GLU B 122 2.804 13.299 33.905 1.00 39.50 C ATOM 1979 CG GLU B 122 1.406 13.861 33.866 1.00 50.23 C ATOM 1980 CD GLU B 122 0.995 14.409 35.214 1.00 57.07 C ATOM 1981 OE1 GLU B 122 1.186 13.696 36.231 1.00 62.95 O ATOM 1982 OE2 GLU B 122 0.495 15.561 35.252 1.00 58.78 O ATOM 0 H GLU B 122 2.607 12.190 31.681 1.00 25.98 H new ATOM 0 HA GLU B 122 3.467 14.497 32.310 1.00 32.23 H new ATOM 0 HB2 GLU B 122 2.751 12.337 34.017 1.00 39.50 H new ATOM 0 HB3 GLU B 122 3.261 13.651 34.685 1.00 39.50 H new ATOM 0 HG2 GLU B 122 1.357 14.565 33.200 1.00 50.23 H new ATOM 0 HG3 GLU B 122 0.784 13.168 33.593 1.00 50.23 H new ATOM 1983 N ASN B 123 5.734 12.366 33.075 1.00 33.94 N ATOM 1984 CA ASN B 123 7.177 12.217 33.352 1.00 33.64 C ATOM 1985 C ASN B 123 8.004 13.001 32.346 1.00 34.75 C ATOM 1986 O ASN B 123 8.963 13.714 32.706 1.00 32.03 O ATOM 1987 CB ASN B 123 7.619 10.764 33.259 1.00 32.50 C ATOM 1988 CG ASN B 123 7.145 9.893 34.413 1.00 33.95 C ATOM 1989 OD1 ASN B 123 6.945 8.669 34.229 1.00 31.50 O ATOM 1990 ND2 ASN B 123 7.011 10.467 35.602 1.00 30.35 N ATOM 0 H ASN B 123 5.323 11.626 32.923 1.00 33.94 H new ATOM 0 HA ASN B 123 7.318 12.551 34.252 1.00 33.64 H new ATOM 0 HB2 ASN B 123 7.290 10.389 32.427 1.00 32.50 H new ATOM 0 HB3 ASN B 123 8.588 10.733 33.220 1.00 32.50 H new ATOM 0 HD21 ASN B 123 6.779 9.996 36.283 1.00 30.35 H new ATOM 0 HD22 ASN B 123 7.156 11.310 35.691 1.00 30.35 H new ATOM 1991 N ARG B 124 7.647 12.870 31.063 1.00 33.89 N ATOM 1992 CA ARG B 124 8.318 13.629 30.000 1.00 32.92 C ATOM 1993 C ARG B 124 8.156 15.156 30.142 1.00 31.57 C ATOM 1994 O ARG B 124 9.102 15.922 29.896 1.00 29.65 O ATOM 1995 CB ARG B 124 7.833 13.170 28.613 1.00 31.42 C ATOM 1996 CG ARG B 124 8.580 13.854 27.474 1.00 34.83 C ATOM 1997 CD ARG B 124 10.090 13.618 27.610 1.00 35.67 C ATOM 1998 NE ARG B 124 10.423 12.193 27.673 1.00 36.56 N ATOM 1999 CZ ARG B 124 10.576 11.398 26.606 1.00 37.28 C ATOM 2000 NH1 ARG B 124 10.455 11.873 25.347 1.00 33.50 N ATOM 2001 NH2 ARG B 124 10.853 10.116 26.798 1.00 41.05 N ATOM 0 H ARG B 124 7.021 12.349 30.788 1.00 33.89 H new ATOM 0 HA ARG B 124 9.265 13.440 30.092 1.00 32.92 H new ATOM 0 HB2 ARG B 124 7.944 12.209 28.537 1.00 31.42 H new ATOM 0 HB3 ARG B 124 6.884 13.353 28.529 1.00 31.42 H new ATOM 0 HG2 ARG B 124 8.268 13.511 26.622 1.00 34.83 H new ATOM 0 HG3 ARG B 124 8.393 14.806 27.482 1.00 34.83 H new ATOM 0 HD2 ARG B 124 10.548 14.023 26.857 1.00 35.67 H new ATOM 0 HD3 ARG B 124 10.414 14.060 28.410 1.00 35.67 H new ATOM 0 HE ARG B 124 10.528 11.842 28.451 1.00 36.56 H new ATOM 0 HH11 ARG B 124 10.276 12.704 25.216 1.00 33.50 H new ATOM 0 HH12 ARG B 124 10.557 11.344 24.676 1.00 33.50 H new ATOM 0 HH21 ARG B 124 10.931 9.808 27.597 1.00 41.05 H new ATOM 0 HH22 ARG B 124 10.954 9.592 26.123 1.00 41.05 H new ATOM 2002 N LEU B 125 6.941 15.554 30.531 1.00 28.47 N ATOM 2003 CA LEU B 125 6.535 16.952 30.673 1.00 31.10 C ATOM 2004 C LEU B 125 7.315 17.540 31.855 1.00 35.67 C ATOM 2005 O LEU B 125 7.944 18.592 31.743 1.00 33.10 O ATOM 2006 CB LEU B 125 5.021 17.038 30.924 1.00 32.14 C ATOM 2007 CG LEU B 125 3.983 17.481 29.865 1.00 33.95 C ATOM 2008 CD1 LEU B 125 4.459 17.382 28.423 1.00 27.99 C ATOM 2009 CD2 LEU B 125 2.574 16.881 30.077 1.00 29.94 C ATOM 0 H LEU B 125 6.313 14.999 30.725 1.00 28.47 H new ATOM 0 HA LEU B 125 6.727 17.451 29.864 1.00 31.10 H new ATOM 0 HB2 LEU B 125 4.746 16.155 31.217 1.00 32.14 H new ATOM 0 HB3 LEU B 125 4.907 17.636 31.679 1.00 32.14 H new ATOM 0 HG LEU B 125 3.890 18.433 30.027 1.00 33.95 H new ATOM 0 HD11 LEU B 125 3.752 17.677 27.828 1.00 27.99 H new ATOM 0 HD12 LEU B 125 5.240 17.944 28.300 1.00 27.99 H new ATOM 0 HD13 LEU B 125 4.689 16.462 28.220 1.00 27.99 H new ATOM 0 HD21 LEU B 125 1.978 17.200 29.381 1.00 29.94 H new ATOM 0 HD22 LEU B 125 2.625 15.913 30.040 1.00 29.94 H new ATOM 0 HD23 LEU B 125 2.233 17.153 30.943 1.00 29.94 H new ATOM 2010 N ASN B 126 7.295 16.818 32.973 1.00 33.28 N ATOM 2011 CA ASN B 126 8.080 17.242 34.104 1.00 34.43 C ATOM 2012 C ASN B 126 9.543 17.273 33.818 1.00 33.40 C ATOM 2013 O ASN B 126 10.173 18.237 34.200 1.00 32.28 O ATOM 2014 CB ASN B 126 7.755 16.427 35.348 1.00 36.75 C ATOM 2015 CG ASN B 126 6.442 16.853 35.962 1.00 40.61 C ATOM 2016 OD1 ASN B 126 5.399 16.673 35.373 1.00 45.22 O ATOM 2017 ND2 ASN B 126 6.500 17.454 37.144 1.00 45.24 N ATOM 0 H ASN B 126 6.841 16.096 33.087 1.00 33.28 H new ATOM 0 HA ASN B 126 7.827 18.161 34.285 1.00 34.43 H new ATOM 0 HB2 ASN B 126 7.716 15.485 35.118 1.00 36.75 H new ATOM 0 HB3 ASN B 126 8.467 16.531 35.999 1.00 36.75 H new ATOM 0 HD21 ASN B 126 5.779 17.733 37.521 1.00 45.24 H new ATOM 0 HD22 ASN B 126 7.259 17.565 37.533 1.00 45.24 H new ATOM 2018 N TYR B 127 10.081 16.271 33.120 1.00 31.92 N ATOM 2019 CA TYR B 127 11.512 16.267 32.801 1.00 34.52 C ATOM 2020 C TYR B 127 11.868 17.465 31.890 1.00 36.47 C ATOM 2021 O TYR B 127 12.849 18.221 32.156 1.00 34.77 O ATOM 2022 CB TYR B 127 11.961 14.925 32.211 1.00 37.58 C ATOM 2023 CG TYR B 127 13.301 14.970 31.519 1.00 37.36 C ATOM 2024 CD1 TYR B 127 14.497 14.871 32.245 1.00 40.59 C ATOM 2025 CD2 TYR B 127 13.375 15.115 30.142 1.00 39.80 C ATOM 2026 CE1 TYR B 127 15.736 14.932 31.603 1.00 41.52 C ATOM 2027 CE2 TYR B 127 14.593 15.162 29.484 1.00 42.91 C ATOM 2028 CZ TYR B 127 15.773 15.073 30.214 1.00 44.45 C ATOM 2029 OH TYR B 127 16.969 15.118 29.521 1.00 43.10 O ATOM 0 H TYR B 127 9.642 15.593 32.825 1.00 31.92 H new ATOM 0 HA TYR B 127 12.007 16.374 33.628 1.00 34.52 H new ATOM 0 HB2 TYR B 127 11.998 14.267 32.922 1.00 37.58 H new ATOM 0 HB3 TYR B 127 11.292 14.621 31.578 1.00 37.58 H new ATOM 0 HD1 TYR B 127 14.465 14.763 33.168 1.00 40.59 H new ATOM 0 HD2 TYR B 127 12.589 15.182 29.649 1.00 39.80 H new ATOM 0 HE1 TYR B 127 16.525 14.880 32.093 1.00 41.52 H new ATOM 0 HE2 TYR B 127 14.621 15.253 28.559 1.00 42.91 H new ATOM 0 HH TYR B 127 16.814 15.204 28.700 1.00 43.10 H new ATOM 2030 N TYR B 128 11.060 17.665 30.841 1.00 34.91 N ATOM 2031 CA TYR B 128 11.026 18.965 30.162 1.00 37.77 C ATOM 2032 C TYR B 128 10.425 20.008 31.111 1.00 33.37 C ATOM 2033 O TYR B 128 11.068 20.971 31.445 1.00 36.37 O ATOM 2034 CB TYR B 128 10.196 18.891 28.866 1.00 38.61 C ATOM 2035 CG TYR B 128 10.776 17.933 27.844 1.00 38.04 C ATOM 2036 CD1 TYR B 128 12.070 17.420 27.984 1.00 36.59 C ATOM 2037 CD2 TYR B 128 10.046 17.565 26.736 1.00 37.43 C ATOM 2038 CE1 TYR B 128 12.606 16.556 27.052 1.00 39.78 C ATOM 2039 CE2 TYR B 128 10.563 16.692 25.785 1.00 39.63 C ATOM 2040 CZ TYR B 128 11.846 16.195 25.939 1.00 40.05 C ATOM 2041 OH TYR B 128 12.363 15.345 24.994 1.00 39.07 O ATOM 0 H TYR B 128 10.532 17.071 30.512 1.00 34.91 H new ATOM 0 HA TYR B 128 11.931 19.218 29.922 1.00 37.77 H new ATOM 0 HB2 TYR B 128 9.291 18.616 29.083 1.00 38.61 H new ATOM 0 HB3 TYR B 128 10.137 19.777 28.475 1.00 38.61 H new ATOM 0 HD1 TYR B 128 12.580 17.667 28.722 1.00 36.59 H new ATOM 0 HD2 TYR B 128 9.189 17.908 26.621 1.00 37.43 H new ATOM 0 HE1 TYR B 128 13.465 16.218 27.164 1.00 39.78 H new ATOM 0 HE2 TYR B 128 10.050 16.444 25.050 1.00 39.63 H new ATOM 0 HH TYR B 128 11.794 15.220 24.388 1.00 39.07 H new ATOM 2042 N MET B 135 11.527 25.879 25.626 1.00 23.40 N ATOM 2043 CA MET B 135 10.299 25.078 25.269 1.00 25.71 C ATOM 2044 C MET B 135 9.028 25.654 25.852 1.00 21.98 C ATOM 2045 O MET B 135 9.020 26.118 27.002 1.00 22.07 O ATOM 2046 CB MET B 135 10.369 23.614 25.719 1.00 26.60 C ATOM 2047 CG MET B 135 11.267 22.768 24.782 1.00 34.39 C ATOM 2048 SD MET B 135 11.007 21.003 24.992 1.00 43.50 S ATOM 2049 CE MET B 135 10.426 20.547 23.352 1.00 39.83 C ATOM 0 HA MET B 135 10.279 25.124 24.300 1.00 25.71 H new ATOM 0 HB2 MET B 135 10.714 23.570 26.625 1.00 26.60 H new ATOM 0 HB3 MET B 135 9.475 23.238 25.737 1.00 26.60 H new ATOM 0 HG2 MET B 135 11.088 23.011 23.860 1.00 34.39 H new ATOM 0 HG3 MET B 135 12.198 22.978 24.955 1.00 34.39 H new ATOM 0 HE1 MET B 135 10.184 19.608 23.344 1.00 39.83 H new ATOM 0 HE2 MET B 135 9.651 21.083 23.123 1.00 39.83 H new ATOM 0 HE3 MET B 135 11.130 20.704 22.704 1.00 39.83 H new ATOM 2050 N THR B 136 7.922 25.450 25.165 1.00 19.98 N ATOM 2051 CA THR B 136 6.715 26.173 25.526 1.00 21.39 C ATOM 2052 C THR B 136 5.657 25.208 26.042 1.00 26.12 C ATOM 2053 O THR B 136 5.253 24.287 25.320 1.00 25.67 O ATOM 2054 CB THR B 136 6.182 26.954 24.325 1.00 22.73 C ATOM 2055 OG1 THR B 136 7.159 27.923 23.905 1.00 17.62 O ATOM 2056 CG2 THR B 136 4.844 27.617 24.677 1.00 19.20 C ATOM 0 H THR B 136 7.845 24.910 24.500 1.00 19.98 H new ATOM 0 HA THR B 136 6.931 26.803 26.231 1.00 21.39 H new ATOM 0 HB THR B 136 6.023 26.346 23.586 1.00 22.73 H new ATOM 0 HG1 THR B 136 7.654 27.585 23.316 1.00 17.62 H new ATOM 0 HG21 THR B 136 4.515 28.110 23.909 1.00 19.20 H new ATOM 0 HG22 THR B 136 4.200 26.935 24.924 1.00 19.20 H new ATOM 0 HG23 THR B 136 4.970 28.226 25.421 1.00 19.20 H new ATOM 2057 N PHE B 137 5.204 25.412 27.278 1.00 26.26 N ATOM 2058 CA PHE B 137 4.273 24.443 27.885 1.00 31.61 C ATOM 2059 C PHE B 137 2.890 25.036 27.878 1.00 32.65 C ATOM 2060 O PHE B 137 2.752 26.223 28.145 1.00 38.54 O ATOM 2061 CB PHE B 137 4.704 24.027 29.305 1.00 31.44 C ATOM 2062 CG PHE B 137 6.106 23.445 29.372 1.00 33.08 C ATOM 2063 CD1 PHE B 137 6.312 22.064 29.322 1.00 32.57 C ATOM 2064 CD2 PHE B 137 7.219 24.280 29.462 1.00 31.92 C ATOM 2065 CE1 PHE B 137 7.595 21.531 29.365 1.00 30.02 C ATOM 2066 CE2 PHE B 137 8.509 23.750 29.503 1.00 36.29 C ATOM 2067 CZ PHE B 137 8.695 22.371 29.448 1.00 33.78 C ATOM 0 H PHE B 137 5.412 26.083 27.774 1.00 26.26 H new ATOM 0 HA PHE B 137 4.281 23.628 27.358 1.00 31.61 H new ATOM 0 HB2 PHE B 137 4.655 24.800 29.889 1.00 31.44 H new ATOM 0 HB3 PHE B 137 4.074 23.373 29.647 1.00 31.44 H new ATOM 0 HD1 PHE B 137 5.580 21.493 29.259 1.00 32.57 H new ATOM 0 HD2 PHE B 137 7.100 25.202 29.495 1.00 31.92 H new ATOM 0 HE1 PHE B 137 7.716 20.609 29.338 1.00 30.02 H new ATOM 0 HE2 PHE B 137 9.244 24.317 29.567 1.00 36.29 H new ATOM 0 HZ PHE B 137 9.554 22.015 29.467 1.00 33.78 H new ATOM 2068 N TYR B 138 1.878 24.227 27.532 1.00 32.96 N ATOM 2069 CA TYR B 138 0.464 24.681 27.525 1.00 31.83 C ATOM 2070 C TYR B 138 -0.365 24.050 28.643 1.00 36.19 C ATOM 2071 O TYR B 138 -0.070 22.915 29.059 1.00 37.33 O ATOM 2072 CB TYR B 138 -0.185 24.378 26.174 1.00 30.21 C ATOM 2073 CG TYR B 138 0.510 25.098 25.077 1.00 28.26 C ATOM 2074 CD1 TYR B 138 0.032 26.320 24.641 1.00 26.72 C ATOM 2075 CD2 TYR B 138 1.693 24.587 24.508 1.00 26.77 C ATOM 2076 CE1 TYR B 138 0.676 27.016 23.649 1.00 27.82 C ATOM 2077 CE2 TYR B 138 2.375 25.297 23.531 1.00 26.91 C ATOM 2078 CZ TYR B 138 1.839 26.521 23.104 1.00 29.85 C ATOM 2079 OH TYR B 138 2.448 27.262 22.128 1.00 32.02 O ATOM 0 H TYR B 138 1.984 23.407 27.296 1.00 32.96 H new ATOM 0 HA TYR B 138 0.479 25.639 27.679 1.00 31.83 H new ATOM 0 HB2 TYR B 138 -0.159 23.423 26.006 1.00 30.21 H new ATOM 0 HB3 TYR B 138 -1.119 24.637 26.195 1.00 30.21 H new ATOM 0 HD1 TYR B 138 -0.737 26.675 25.025 1.00 26.72 H new ATOM 0 HD2 TYR B 138 2.021 23.764 24.791 1.00 26.77 H new ATOM 0 HE1 TYR B 138 0.327 27.822 23.345 1.00 27.82 H new ATOM 0 HE2 TYR B 138 3.167 24.970 23.169 1.00 26.91 H new ATOM 0 HH TYR B 138 3.279 27.258 22.250 1.00 32.02 H new TER 2080 TYR B 138 HETATM 2081 S SO4 B 201 23.073 3.575 26.962 1.00 35.56 S HETATM 2082 O1 SO4 B 201 23.813 2.645 26.120 1.00 40.01 O HETATM 2083 O2 SO4 B 201 21.789 3.780 26.218 1.00 32.72 O HETATM 2084 O3 SO4 B 201 23.017 3.039 28.347 1.00 29.61 O HETATM 2085 O4 SO4 B 201 23.787 4.861 26.999 1.00 37.33 O HETATM 2086 O HOH A 201 -17.708 20.865 12.738 1.00 16.97 O HETATM 2087 O HOH A 202 -1.561 26.417 13.503 1.00 8.74 O HETATM 2088 O HOH A 203 -17.520 -13.869 11.661 1.00 32.08 O HETATM 2089 O HOH A 204 0.757 16.204 9.604 1.00 11.87 O HETATM 2090 O HOH A 205 -10.888 14.774 19.719 1.00 11.86 O HETATM 2091 O HOH A 206 -23.557 13.548 13.746 1.00 19.08 O HETATM 2092 O HOH A 207 -7.570 12.718 25.135 1.00 27.45 O HETATM 2093 O HOH A 208 -0.106 1.926 31.518 1.00 31.84 O HETATM 2094 O HOH A 209 -8.638 21.586 20.873 1.00 16.80 O HETATM 2095 O HOH A 210 -5.706 15.878 4.896 1.00 22.58 O HETATM 2096 O HOH A 211 -20.552 11.761 21.774 1.00 25.44 O HETATM 2097 O HOH A 212 -9.121 24.167 8.446 1.00 22.51 O HETATM 2098 O HOH A 213 -13.914 7.663 3.806 1.00 18.00 O HETATM 2099 O HOH A 214 2.827 19.035 8.156 1.00 19.90 O HETATM 2100 O HOH A 215 5.587 25.333 11.192 1.00 13.88 O HETATM 2101 O HOH A 216 -7.567 22.766 6.890 1.00 33.08 O HETATM 2102 O HOH A 217 -0.732 6.441 10.269 1.00 21.34 O HETATM 2103 O HOH A 218 -0.618 7.659 25.170 1.00 19.38 O HETATM 2104 O HOH A 219 -6.565 6.356 5.278 1.00 29.67 O HETATM 2105 O HOH A 220 0.371 6.091 7.009 1.00 19.37 O HETATM 2106 O HOH A 221 1.876 20.453 5.754 1.00 25.97 O HETATM 2107 O HOH A 222 -17.152 -2.756 13.921 1.00 33.25 O HETATM 2108 O HOH A 223 -7.023 5.418 23.631 1.00 30.24 O HETATM 2109 O HOH A 224 -12.726 16.520 1.602 1.00 30.48 O HETATM 2110 O HOH A 225 -19.474 19.091 11.708 1.00 19.66 O HETATM 2111 O HOH A 226 -8.969 -19.137 7.915 1.00 27.07 O HETATM 2112 O HOH A 227 -2.454 10.350 28.142 1.00 47.65 O HETATM 2113 O HOH A 228 -7.860 21.231 24.064 1.00 35.61 O HETATM 2114 O HOH A 229 -20.041 18.998 4.823 1.00 35.49 O HETATM 2115 O HOH A 230 13.303 14.505 6.807 1.00 41.03 O HETATM 2116 O HOH A 231 -9.074 4.620 25.599 1.00 36.15 O HETATM 2117 O HOH A 232 -14.230 -20.342 11.449 1.00 32.48 O HETATM 2118 O HOH A 233 -11.716 -3.558 19.909 1.00 26.82 O HETATM 2119 O HOH A 234 -9.631 13.502 21.785 1.00 23.79 O HETATM 2120 O HOH A 235 4.859 22.016 3.718 1.00 45.11 O HETATM 2121 O HOH A 236 -12.375 1.614 20.304 1.00 23.69 O HETATM 2122 O HOH A 237 -3.467 -1.274 3.755 1.00 43.79 O HETATM 2123 O HOH A 238 -5.037 22.602 22.956 1.00 33.08 O HETATM 2124 O HOH A 239 -4.712 4.638 24.365 1.00 45.46 O HETATM 2125 O HOH A 240 -4.618 17.135 2.884 1.00 36.25 O HETATM 2126 O HOH A 241 -15.812 0.422 6.412 1.00 35.18 O HETATM 2127 O HOH A 242 -1.283 6.488 27.932 1.00 48.99 O HETATM 2128 O HOH A 243 -3.266 23.906 24.581 1.00 26.17 O HETATM 2129 O HOH A 244 -19.515 4.598 6.508 1.00 33.43 O HETATM 2130 O HOH A 245 7.816 25.262 13.246 1.00 31.66 O HETATM 2131 O HOH A 246 -10.611 -1.260 5.240 1.00 45.12 O HETATM 2132 O HOH A 247 2.627 18.751 3.805 1.00 42.73 O HETATM 2133 O HOH A 248 -24.329 10.434 12.376 1.00 28.19 O HETATM 2134 O HOH A 249 6.112 -6.717 31.277 1.00 32.30 O HETATM 2135 O HOH A 250 -1.092 8.480 2.207 1.00 25.69 O HETATM 2136 O HOH A 251 -5.642 20.308 7.539 1.00 29.43 O HETATM 2137 O HOH A 252 8.329 26.101 21.003 1.00 39.97 O HETATM 2138 O HOH A 253 -26.729 11.897 15.840 1.00 34.87 O HETATM 2139 O HOH A 254 -12.663 4.804 0.743 1.00 38.61 O HETATM 2140 O HOH A 255 -1.233 11.070 0.419 1.00 34.79 O HETATM 2141 O HOH A 256 -17.790 13.076 18.723 1.00 24.64 O HETATM 2142 O HOH A 257 6.433 28.884 14.023 1.00 20.04 O HETATM 2143 O HOH A 258 -9.780 -0.581 8.869 1.00 20.21 O HETATM 2144 O HOH A 259 -6.249 3.571 5.858 1.00 21.90 O HETATM 2145 O HOH A 260 -3.900 1.160 5.355 1.00 31.26 O HETATM 2146 O HOH A 261 -21.561 22.212 6.166 1.00 36.37 O HETATM 2147 O HOH A 262 -17.201 10.623 19.336 1.00 13.67 O HETATM 2148 O HOH B 301 3.346 -16.463 6.225 1.00 16.18 O HETATM 2149 O HOH B 302 1.111 -14.942 23.742 1.00 21.92 O HETATM 2150 O HOH B 303 14.881 -4.016 34.940 1.00 18.80 O HETATM 2151 O HOH B 304 12.832 -15.580 17.770 1.00 20.33 O HETATM 2152 O HOH B 305 12.477 -13.942 27.757 1.00 20.67 O HETATM 2153 O HOH B 306 9.933 -13.125 13.331 1.00 14.95 O HETATM 2154 O HOH B 307 12.851 -18.670 17.318 1.00 25.60 O HETATM 2155 O HOH B 308 17.517 0.253 22.548 1.00 11.75 O HETATM 2156 O HOH B 309 13.679 -7.193 14.390 1.00 14.99 O HETATM 2157 O HOH B 310 -11.448 -1.307 18.533 1.00 19.00 O HETATM 2158 O HOH B 311 13.973 -6.133 11.354 1.00 27.49 O HETATM 2159 O HOH B 312 2.136 -22.421 8.183 1.00 25.02 O HETATM 2160 O HOH B 313 13.940 4.033 34.745 1.00 25.99 O HETATM 2161 O HOH B 314 4.280 -17.771 16.268 1.00 16.83 O HETATM 2162 O HOH B 315 -7.361 -0.888 19.880 1.00 18.76 O HETATM 2163 O HOH B 316 8.266 -17.536 7.547 1.00 18.03 O HETATM 2164 O HOH B 317 -6.601 -18.267 8.379 1.00 18.14 O HETATM 2165 O HOH B 318 2.659 -8.345 26.049 1.00 16.75 O HETATM 2166 O HOH B 319 5.592 -4.168 32.060 1.00 25.01 O HETATM 2167 O HOH B 320 21.939 -1.561 18.615 1.00 24.32 O HETATM 2168 O HOH B 321 -13.054 -1.308 13.476 1.00 23.32 O HETATM 2169 O HOH B 322 5.885 1.813 13.601 1.00 24.30 O HETATM 2170 O HOH B 323 6.328 -7.499 10.791 1.00 14.97 O HETATM 2171 O HOH B 324 2.728 29.013 30.125 1.00 32.71 O HETATM 2172 O HOH B 325 11.276 -11.616 15.128 1.00 15.88 O HETATM 2173 O HOH B 326 7.432 5.996 7.854 1.00 29.96 O HETATM 2174 O HOH B 327 6.825 -9.952 7.957 1.00 15.32 O HETATM 2175 O HOH B 328 12.821 -9.706 13.890 1.00 25.84 O HETATM 2176 O HOH B 329 5.525 2.419 33.660 1.00 37.84 O HETATM 2177 O HOH B 330 7.936 29.623 26.082 1.00 18.93 O HETATM 2178 O HOH B 331 9.256 -10.806 7.271 1.00 18.91 O HETATM 2179 O HOH B 332 -12.451 16.836 22.086 1.00 14.27 O HETATM 2180 O HOH B 333 -2.540 -16.637 8.140 1.00 41.74 O HETATM 2181 O HOH B 334 11.432 -13.345 11.295 1.00 24.34 O HETATM 2182 O HOH B 335 13.967 -11.996 29.351 1.00 22.90 O HETATM 2183 O HOH B 336 11.543 -17.046 9.075 1.00 15.44 O HETATM 2184 O HOH B 337 13.296 0.748 10.241 1.00 28.19 O HETATM 2185 O HOH B 338 11.043 -7.810 5.415 1.00 34.89 O HETATM 2186 O HOH B 339 11.198 5.745 34.059 1.00 36.97 O HETATM 2187 O HOH B 340 17.582 2.616 23.965 1.00 13.31 O HETATM 2188 O HOH B 341 20.923 -2.970 23.496 1.00 22.04 O HETATM 2189 O HOH B 342 1.763 22.487 31.266 1.00 31.24 O HETATM 2190 O HOH B 343 -0.538 -17.793 8.261 1.00 21.43 O HETATM 2191 O HOH B 344 7.982 2.195 35.974 1.00 33.26 O HETATM 2192 O HOH B 345 3.290 9.575 35.997 1.00 44.84 O HETATM 2193 O HOH B 346 -1.885 -16.185 20.784 1.00 17.05 O HETATM 2194 O HOH B 347 4.384 6.690 8.213 1.00 47.51 O HETATM 2195 O HOH B 348 20.076 -0.596 23.153 1.00 19.44 O HETATM 2196 O HOH B 349 0.799 -10.103 -1.094 1.00 32.31 O HETATM 2197 O HOH B 350 0.960 -17.302 5.745 1.00 22.19 O HETATM 2198 O HOH B 351 -2.196 -9.462 25.195 1.00 49.51 O HETATM 2199 O HOH B 352 -5.518 -8.482 3.684 1.00 43.90 O HETATM 2200 O HOH B 353 15.961 -13.663 28.837 1.00 36.98 O HETATM 2201 O HOH B 354 8.154 2.838 11.365 1.00 19.75 O HETATM 2202 O HOH B 355 -3.256 0.709 25.481 1.00 30.90 O HETATM 2203 O HOH B 356 3.273 16.740 37.719 1.00 36.27 O HETATM 2204 O HOH B 357 3.568 -21.889 6.014 1.00 35.47 O HETATM 2205 O HOH B 358 5.630 1.979 10.574 1.00 27.81 O HETATM 2206 O HOH B 359 23.229 -4.259 25.407 1.00 40.66 O HETATM 2207 O HOH B 360 13.201 -7.154 34.587 1.00 29.13 O HETATM 2208 O HOH B 361 9.768 -17.388 5.243 1.00 26.35 O HETATM 2209 O HOH B 362 0.536 -13.641 25.958 1.00 35.75 O HETATM 2210 O HOH B 363 -1.220 -16.203 23.397 1.00 27.29 O HETATM 2211 O HOH B 364 -6.428 -10.730 24.586 1.00 34.62 O HETATM 2212 O HOH B 365 13.236 -10.836 11.677 1.00 27.71 O HETATM 2213 O HOH B 366 9.374 27.144 23.077 1.00 33.15 O HETATM 2214 O HOH B 367 0.129 -7.230 25.807 1.00 27.01 O HETATM 2215 O HOH B 368 -8.748 -1.403 22.422 1.00 38.77 O HETATM 2216 O HOH B 369 10.320 13.001 35.029 1.00 34.09 O HETATM 2217 O HOH B 370 -10.889 12.382 23.772 1.00 39.88 O HETATM 2218 O HOH B 371 18.578 8.493 31.720 1.00 44.59 O HETATM 2219 O HOH B 372 4.582 27.366 20.921 1.00 29.52 O HETATM 2220 O HOH B 373 7.975 -13.517 2.772 1.00 38.80 O HETATM 2221 O HOH B 374 20.120 -7.879 18.643 1.00 37.71 O HETATM 2222 O HOH B 375 15.981 5.538 18.793 1.00 24.40 O HETATM 2223 O HOH B 376 -14.058 3.898 23.342 1.00 29.30 O HETATM 2224 O HOH B 377 -15.189 1.875 22.591 1.00 34.16 O HETATM 2225 O HOH B 378 -15.357 19.462 21.441 1.00 35.34 O HETATM 2226 O HOH B 379 18.382 9.841 34.090 1.00 40.04 O HETATM 2227 O HOH B 380 0.834 11.040 32.063 1.00 33.25 O HETATM 2228 O HOH B 381 18.346 1.587 36.434 1.00 28.96 O HETATM 2229 O HOH B 382 29.257 6.855 29.539 1.00 45.57 O HETATM 2230 O HOH B 383 1.393 -14.052 28.230 1.00 40.96 O HETATM 2231 O HOH B 384 -3.640 -6.717 25.837 1.00 26.14 O HETATM 2232 O HOH B 385 8.248 9.544 29.984 1.00 26.36 O HETATM 2233 O HOH B 386 20.564 -7.455 28.262 1.00 29.06 O HETATM 2234 O HOH B 387 -4.112 -0.661 28.106 1.00 37.34 O HETATM 2235 O HOH B 388 -2.946 -6.040 28.529 1.00 45.16 O HETATM 2236 O HOH B 389 -1.966 -18.668 23.622 1.00 34.52 O HETATM 2237 O HOH B 390 16.585 -10.711 32.408 1.00 40.38 O HETATM 2238 O HOH B 391 -12.986 20.366 22.543 1.00 42.32 O HETATM 2239 O HOH B 392 9.004 0.287 7.610 1.00 30.15 O HETATM 2240 O HOH B 393 10.415 8.342 21.620 1.00 21.79 O HETATM 2241 O HOH B 394 20.279 2.892 23.822 1.00 22.77 O HETATM 2242 O AHOH B 395 21.663 -3.569 20.868 0.50 8.32 O HETATM 2243 O BHOH B 395 21.919 -5.317 20.728 0.50 13.52 O HETATM 2244 O HOH B 396 -4.392 -17.339 20.118 1.00 18.68 O HETATM 2245 O HOH B 397 5.723 27.856 28.719 1.00 24.32 O HETATM 2246 O HOH B 398 -12.278 3.378 25.983 1.00 30.97 O HETATM 2247 O HOH B 399 17.398 -0.401 11.193 1.00 32.50 O CONECT 2081 2082 2083 2084 2085 CONECT 2082 2081 CONECT 2083 2081 CONECT 2084 2081 CONECT 2085 2081 END