USER MOD reduce.3.24.130724 H: found=0, std=0, add=1961, rem=0, adj=65 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER IMMUNE SYSTEM 23-OCT-13 4NBX TITLE CRYSTAL STRUCTURE OF CLOSTRIDIUM DIFFICILE TOXIN A FRAGMENT TCDA-A1 TITLE 2 BOUND TO A20.1 VHH COMPND MOL_ID: 1; COMPND 2 MOLECULE: TCDA; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 2573-2709; COMPND 5 ENGINEERED: YES; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: A20.1 VHH; COMPND 8 CHAIN: B; COMPND 9 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; SOURCE 3 ORGANISM_TAXID: 1496; SOURCE 4 STRAIN: 48489; SOURCE 5 GENE: TCDA; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 MOL_ID: 2; SOURCE 9 ORGANISM_SCIENTIFIC: LAMA GLAMA; SOURCE 0 ORGANISM_TAXID: 9844; SOURCE 1 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 2 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ANTIBODY-ANTIGEN COMPLEX, IMMUNE SYSTEM EXPDTA X-RAY DIFFRACTION AUTHOR T.MURASE,L.EUGENIO,M.SCHORR,G.HUSSACK,J.TANHA,E.N.KITOVA,J.S.KLASSEN, AUTHOR 2 K.K.S.NG REVDAT 3 12-FEB-14 4NBX 1 JRNL REVDAT 2 01-JAN-14 4NBX 1 JRNL REVDAT 1 11-DEC-13 4NBX 0 JRNL AUTH T.MURASE,L.EUGENIO,M.SCHORR,G.HUSSACK,J.TANHA,E.N.KITOVA, JRNL AUTH 2 J.S.KLASSEN,K.K.NG JRNL TITL STRUCTURAL BASIS FOR ANTIBODY RECOGNITION IN THE JRNL TITL 2 RECEPTOR-BINDING DOMAINS OF TOXINS A AND B FROM CLOSTRIDIUM JRNL TITL 3 DIFFICILE. JRNL REF J.BIOL.CHEM. V. 289 2331 2014 JRNL REFN ISSN 0021-9258 JRNL PMID 24311789 JRNL DOI 10.1074/JBC.M113.505917 REMARK 2 REMARK 2 RESOLUTION. 1.75 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : REFMAC 5.7.0029 REMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.75 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 31.74 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 96.1 REMARK 3 NUMBER OF REFLECTIONS : 30256 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) : 0.197 REMARK 3 R VALUE (WORKING SET) : 0.195 REMARK 3 FREE R VALUE : 0.229 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000 REMARK 3 FREE R VALUE TEST SET COUNT : 1593 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) : 1.75 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.79 REMARK 3 REFLECTION IN BIN (WORKING SET) : 1844 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 79.52 REMARK 3 BIN R VALUE (WORKING SET) : 0.2240 REMARK 3 BIN FREE R VALUE SET COUNT : 97 REMARK 3 BIN FREE R VALUE : 0.2930 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 2091 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 247 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 27.20 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 26.71 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.28000 REMARK 3 B22 (A**2) : 0.28000 REMARK 3 B33 (A**2) : -0.91000 REMARK 3 B12 (A**2) : 0.28000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED OVERALL COORDINATE ERROR. REMARK 3 ESU BASED ON R VALUE (A): 0.118 REMARK 3 ESU BASED ON FREE R VALUE (A): 0.115 REMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.071 REMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 2.130 REMARK 3 REMARK 3 CORRELATION COEFFICIENTS. REMARK 3 CORRELATION COEFFICIENT FO-FC : 0.950 REMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.930 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT REMARK 3 BOND LENGTHS REFINED ATOMS (A): 2155 ; 0.006 ; 0.019 REMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL REMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 2925 ; 0.969 ; 1.910 REMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL REMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 264 ; 5.793 ; 5.000 REMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 112 ;33.063 ;23.304 REMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 304 ;11.340 ;15.000 REMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 13 ;16.568 ;15.000 REMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 288 ; 0.069 ; 0.200 REMARK 3 GENERAL PLANES REFINED ATOMS (A): 1737 ; 0.004 ; 0.021 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 : BABINET MODEL WITH MASK REMARK 3 PARAMETERS FOR MASK CALCULATION REMARK 3 VDW PROBE RADIUS : 1.40 REMARK 3 ION PROBE RADIUS : 0.80 REMARK 3 SHRINKAGE RADIUS : 0.80 REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 4NBX COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-NOV-13. REMARK 100 THE RCSB ID CODE IS RCSB083008. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 09-MAR-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) : Y REMARK 200 RADIATION SOURCE : CLSI REMARK 200 BEAMLINE : 08B1-1 REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.98 REMARK 200 MONOCHROMATOR : SI(111), DOUBLE CRYSTAL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : MARMOSAIC 300 MM CCD REMARK 200 INTENSITY-INTEGRATION SOFTWARE : XDS REMARK 200 DATA SCALING SOFTWARE : XSCALE REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30256 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.750 REMARK 200 RESOLUTION RANGE LOW (A) : 40.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : -3.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.1 REMARK 200 DATA REDUNDANCY : 4.300 REMARK 200 R MERGE (I) : 0.02900 REMARK 200 R SYM (I) : 0.02900 REMARK 200 FOR THE DATA SET : 30.9000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.75 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.81 REMARK 200 COMPLETENESS FOR SHELL (%) : 87.7 REMARK 200 DATA REDUNDANCY IN SHELL : 4.20 REMARK 200 R MERGE FOR SHELL (I) : 0.15400 REMARK 200 R SYM FOR SHELL (I) : 0.15400 REMARK 200 FOR SHELL : 8.900 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 (%): 51.09 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.51 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 0.6 M K/NA TARTRATE, 0.1 M TRIS-CL, PH REMARK 280 7.5, 0.4 M TMAO, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 295K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 65 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -Y,X-Y,Z+2/3 REMARK 290 3555 -X+Y,-X,Z+1/3 REMARK 290 4555 -X,-Y,Z+1/2 REMARK 290 5555 Y,-X+Y,Z+1/6 REMARK 290 6555 X-Y,X,Z+5/6 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 40.74667 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 20.37333 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 30.56000 REMARK 290 SMTRY1 5 0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 5 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 1.000000 10.18667 REMARK 290 SMTRY1 6 0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 1.000000 50.93333 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 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 GLN B 1 REMARK 465 PRO B 2 REMARK 465 ALA B 3 REMARK 465 MET B 4 REMARK 465 ALA B 5 REMARK 465 GLN B 6 REMARK 465 ALA B 7 REMARK 465 GLY B 131 REMARK 465 GLN B 132 REMARK 465 ALA B 133 REMARK 465 GLY B 134 REMARK 465 GLN B 135 REMARK 465 GLY B 136 REMARK 465 SER B 137 REMARK 465 GLU B 138 REMARK 465 GLN B 139 REMARK 465 LYS B 140 REMARK 465 LEU B 141 REMARK 465 ILE B 142 REMARK 465 SER B 143 REMARK 465 GLU B 144 REMARK 465 GLU B 145 REMARK 465 ASP B 146 REMARK 465 LEU B 147 REMARK 465 ASN B 148 REMARK 465 HIS B 149 REMARK 465 HIS B 150 REMARK 465 HIS B 151 REMARK 465 HIS B 152 REMARK 465 HIS B 153 REMARK 465 HIS B 154 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 VAL B 55 -56.25 -120.94 REMARK 500 ALA B 106 73.64 63.06 REMARK 500 ASP B 115 44.85 -77.01 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4NBY RELATED DB: PDB REMARK 900 RELATED ID: 4NBZ RELATED DB: PDB REMARK 900 RELATED ID: 4NC0 RELATED DB: PDB REMARK 900 RELATED ID: 4NC1 RELATED DB: PDB REMARK 900 RELATED ID: 4NC2 RELATED DB: PDB REMARK 900 RELATED ID: 2F6E RELATED DB: PDB REMARK 900 TCDA-A1 REMARK 900 RELATED ID: 2G7C RELATED DB: PDB REMARK 900 TCDA-A2 BOUND TO GAL-A1,3-LACNAC DBREF 4NBX A 7 143 UNP I6YE93 I6YE93_CLODI 2573 2709 DBREF 4NBX B 1 154 PDB 4NBX 4NBX 1 154 SEQADV 4NBX HIS A 1 UNP I6YE93 EXPRESSION TAG SEQADV 4NBX HIS A 2 UNP I6YE93 EXPRESSION TAG SEQADV 4NBX HIS A 3 UNP I6YE93 EXPRESSION TAG SEQADV 4NBX HIS A 4 UNP I6YE93 EXPRESSION TAG SEQADV 4NBX HIS A 5 UNP I6YE93 EXPRESSION TAG SEQADV 4NBX HIS A 6 UNP I6YE93 EXPRESSION TAG SEQRES 1 A 143 HIS HIS HIS HIS HIS HIS THR GLY TRP VAL THR ILE ASP SEQRES 2 A 143 GLY ARG ARG TYR TYR PHE GLU PRO ASN THR ALA ILE GLY SEQRES 3 A 143 ALA ASN GLY TYR LYS ILE ILE ASP ASN LYS ASN PHE TYR SEQRES 4 A 143 PHE ARG ASN GLY LEU PRO GLN ILE GLY VAL PHE LYS GLY SEQRES 5 A 143 PRO ASN GLY PHE GLU TYR PHE ALA PRO ALA ASN THR ASP SEQRES 6 A 143 ALA ASN ASN ILE ASP GLY GLN ALA ILE ARG TYR GLN ASN SEQRES 7 A 143 ARG PHE LEU HIS LEU LEU GLY ASN ILE TYR TYR PHE GLY SEQRES 8 A 143 ASN ASN SER LYS ALA VAL THR GLY TRP GLN THR ILE ASN SEQRES 9 A 143 GLY ASN MET TYR TYR PHE MET PRO ASP THR ALA MET ALA SEQRES 10 A 143 ALA ALA GLY GLY LEU PHE GLU ILE ASP GLY VAL ILE TYR SEQRES 11 A 143 PHE PHE GLY VAL ASP GLY VAL LYS ALA PRO GLY ILE TYR SEQRES 1 B 154 GLN PRO ALA MET ALA GLN ALA GLN VAL GLN LEU VAL GLU SEQRES 2 B 154 SER GLY GLY GLY LEU ALA GLN ALA GLY GLY SER LEU ARG SEQRES 3 B 154 LEU SER CYS ALA ALA SER GLY ARG THR PHE SER MET ASP SEQRES 4 B 154 PRO MET ALA TRP PHE ARG GLN PRO PRO GLY LYS GLU ARG SEQRES 5 B 154 GLU PHE VAL ALA ALA GLY SER SER THR GLY ARG THR THR SEQRES 6 B 154 TYR TYR ALA ASP SER VAL LYS GLY ARG PHE THR ILE SER SEQRES 7 B 154 ARG ASP ASN ALA LYS ASN THR VAL TYR LEU GLN MET ASN SEQRES 8 B 154 SER LEU LYS PRO GLU ASP THR ALA VAL TYR TYR CYS ALA SEQRES 9 B 154 ALA ALA PRO TYR GLY ALA ASN TRP TYR ARG ASP GLU TYR SEQRES 10 B 154 ALA TYR TRP GLY GLN GLY THR GLN VAL THR VAL SER SER SEQRES 11 B 154 GLY GLN ALA GLY GLN GLY SER GLU GLN LYS LEU ILE SER SEQRES 12 B 154 GLU GLU ASP LEU ASN HIS HIS HIS HIS HIS HIS FORMUL 3 HOH *247(H2 O) HELIX 1 1 ASN B 81 LYS B 83 5 3 HELIX 2 2 LYS B 94 THR B 98 5 5 SHEET 1 A 2 GLY A 8 ILE A 12 0 SHEET 2 A 2 ARG A 15 PHE A 19 -1 O TYR A 17 N VAL A 10 SHEET 1 B 3 GLY A 29 ILE A 33 0 SHEET 2 B 3 LYS A 36 ARG A 41 -1 O PHE A 40 N GLY A 29 SHEET 3 B 3 LEU A 44 PRO A 45 -1 O LEU A 44 N ARG A 41 SHEET 1 C 3 GLY A 48 GLY A 52 0 SHEET 2 C 3 GLY A 55 ALA A 60 -1 O PHE A 59 N GLY A 48 SHEET 3 C 3 GLN A 72 ALA A 73 -1 O GLN A 72 N ALA A 60 SHEET 1 D 2 ARG A 79 LEU A 83 0 SHEET 2 D 2 ASN A 86 PHE A 90 -1 O PHE A 90 N ARG A 79 SHEET 1 E 2 GLY A 99 ILE A 103 0 SHEET 2 E 2 ASN A 106 PHE A 110 -1 O PHE A 110 N GLY A 99 SHEET 1 F 2 GLY A 121 ILE A 125 0 SHEET 2 F 2 VAL A 128 PHE A 132 -1 O VAL A 128 N ILE A 125 SHEET 1 G 4 GLN B 10 SER B 14 0 SHEET 2 G 4 LEU B 25 SER B 32 -1 O SER B 28 N SER B 14 SHEET 3 G 4 THR B 85 MET B 90 -1 O MET B 90 N LEU B 25 SHEET 4 G 4 PHE B 75 ASP B 80 -1 N SER B 78 O TYR B 87 SHEET 1 H 6 GLY B 17 GLN B 20 0 SHEET 2 H 6 THR B 124 SER B 129 1 O GLN B 125 N GLY B 17 SHEET 3 H 6 ALA B 99 PRO B 107 -1 N TYR B 101 O THR B 124 SHEET 4 H 6 MET B 41 GLN B 46 -1 N ALA B 42 O ALA B 104 SHEET 5 H 6 GLU B 53 GLY B 58 -1 O GLU B 53 N ARG B 45 SHEET 6 H 6 THR B 65 TYR B 67 -1 O TYR B 66 N ALA B 57 SHEET 1 I 4 GLY B 17 GLN B 20 0 SHEET 2 I 4 THR B 124 SER B 129 1 O GLN B 125 N GLY B 17 SHEET 3 I 4 ALA B 99 PRO B 107 -1 N TYR B 101 O THR B 124 SHEET 4 I 4 TYR B 117 TRP B 120 -1 O ALA B 118 N ALA B 106 SSBOND *** CYS B 29 CYS B 103 1555 1555 2.04 CRYST1 96.970 96.970 61.120 90.00 90.00 120.00 P 65 6 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 0.010312 0.005954 0.000000 0.00000 SCALE2 0.000000 0.011908 0.000000 0.00000 SCALE3 0.000000 0.000000 0.016361 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 125 GLN : amide:sc= -0.336 X(o=-0.34,f=-0.11) USER MOD Set 1.2: B 127 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: B 90 MET CE :methyl -175:sc= -0.123 (180deg=-0.203) USER MOD Set 2.2: B 101 TYR OH : rot -13:sc= 1.28 USER MOD Set 3.1: B 24 SER OG : rot -104:sc= 0.354 USER MOD Set 3.2: B 89 GLN : amide:sc= 0.348 K(o=1.2,f=-2.9!) USER MOD Set 3.3: B 91 ASN : amide:sc= 0.504 K(o=1.2,f=-4) USER MOD Set 4.1: A 54 ASN : amide:sc= 0.495 K(o=1.5,f=-4.1!) USER MOD Set 4.2: A 95 LYS NZ :NH3+ 148:sc= 0.958 (180deg=0.204) USER MOD Set 5.1: A 88 TYR OH : rot 162:sc= 2.39 USER MOD Set 5.2: A 116 MET CE :methyl 178:sc= 0 (180deg=0) USER MOD Set 6.1: A 78 ASN : amide:sc= 1.57 K(o=2.6,f=1.7) USER MOD Set 6.2: A 92 ASN : amide:sc= 0.998 K(o=2.6,f=1.5) USER MOD Set 7.1: A 30 TYR OH : rot 31:sc= 0.973 USER MOD Set 7.2: A 37 ASN : amide:sc= 1.25 K(o=2.2,f=-0.042) USER MOD Single : A 1 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.023) USER MOD Single : A 1 HIS N :NH3+ -123:sc= 0.0517 (180deg=-0.0443) USER MOD Single : A 2 HIS : no HD1:sc= 1.01 K(o=1,f=-0.5) USER MOD Single : A 3 HIS : no HE2:sc= 2.69 K(o=2.7,f=-5.9!) USER MOD Single : A 4 HIS : no HD1:sc= 0.823 K(o=0.82,f=-5.1!) USER MOD Single : A 5 HIS : no HD1:sc=-0.00751 X(o=-0.0075,f=0) USER MOD Single : A 6 HIS : no HE2:sc= 0.802 K(o=0.8,f=-0.57) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 151:sc= 1.28 USER MOD Single : A 22 ASN : amide:sc=-0.00166 K(o=-0.0017,f=-0.62) USER MOD Single : A 23 THR OG1 : rot -165:sc= 0.697 USER MOD Single : A 28 ASN : amide:sc= 0.598 K(o=0.6,f=-2.8!) USER MOD Single : A 31 LYS NZ :NH3+ -159:sc= 1.12 (180deg=0.729) USER MOD Single : A 35 ASN : amide:sc= 0.785 K(o=0.78,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0.059 (180deg=0.033) USER MOD Single : A 39 TYR OH : rot -150:sc= 1.86 USER MOD Single : A 42 ASN : amide:sc= -0.364 K(o=-0.36,f=-1.6!) USER MOD Single : A 46 GLN : amide:sc= -0.124 X(o=-0.12,f=0.27) USER MOD Single : A 51 LYS NZ :NH3+ 142:sc= 0.0856 (180deg=0) USER MOD Single : A 58 TYR OH : rot 163:sc= 2.2 USER MOD Single : A 63 ASN : amide:sc= 1.47 K(o=1.5,f=-1.3!) USER MOD Single : A 64 THR OG1 : rot 85:sc= 1.58 USER MOD Single : A 67 ASN : amide:sc=-0.00689 X(o=-0.0069,f=0) USER MOD Single : A 68 ASN : amide:sc= 1.53 K(o=1.5,f=-6.5!) USER MOD Single : A 72 GLN : amide:sc= 1.12 K(o=1.1,f=-1.6!) USER MOD Single : A 76 TYR OH : rot -169:sc= 1.3 USER MOD Single : A 77 GLN : amide:sc= 1.28 K(o=1.3,f=-3.8!) USER MOD Single : A 82 HIS : no HD1:sc= 1.05 K(o=1,f=-2.5!) USER MOD Single : A 86 ASN : amide:sc= 2.18 K(o=2.2,f=0.56) USER MOD Single : A 89 TYR OH : rot -38:sc= 1.11 USER MOD Single : A 93 ASN : amide:sc= 2.16 K(o=2.2,f=-0.47) USER MOD Single : A 94 SER OG : rot 85:sc= 1.68 USER MOD Single : A 98 THR OG1 : rot 103:sc= 0.13 USER MOD Single : A 101 GLN : amide:sc= 1.62 K(o=1.6,f=-1) USER MOD Single : A 102 THR OG1 : rot 69:sc= 1.84 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 106 ASN : amide:sc= 1.25 X(o=1.3,f=1) USER MOD Single : A 107 MET CE :methyl -164:sc= -0.191 (180deg=-0.771) USER MOD Single : A 108 TYR OH : rot -178:sc= 2.53 USER MOD Single : A 109 TYR OH : rot 20:sc= 2.53 USER MOD Single : A 111 MET CE :methyl -167:sc= -0.1 (180deg=-0.33) USER MOD Single : A 114 THR OG1 : rot -153:sc= 1.33 USER MOD Single : A 130 TYR OH : rot -171:sc= 2.16 USER MOD Single : A 138 LYS NZ :NH3+ -178:sc= 0.75 (180deg=0.747) USER MOD Single : A 143 TYR OH : rot -27:sc= 0.69 USER MOD Single : B 8 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.36) USER MOD Single : B 10 GLN : amide:sc=-0.00721 X(o=-0.0072,f=-0.047) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 28 SER OG : rot -80:sc= 1.29 USER MOD Single : B 32 SER OG : rot 15:sc= 0.928 USER MOD Single : B 35 THR OG1 : rot -24:sc= 0.00628 USER MOD Single : B 37 SER OG : rot 93:sc= 1.48 USER MOD Single : B 38 MET CE :methyl -172:sc= 0 (180deg=-0.042) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 46 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 SER OG : rot 160:sc= 0.421 USER MOD Single : B 60 SER OG : rot 102:sc= 0.374 USER MOD Single : B 61 THR OG1 : rot 180:sc= 0.031 USER MOD Single : B 64 THR OG1 : rot 144:sc= 0.162 USER MOD Single : B 65 THR OG1 : rot 180:sc= 1.57 USER MOD Single : B 66 TYR OH : rot 58:sc= 1.32 USER MOD Single : B 67 TYR OH : rot 168:sc= 1.87 USER MOD Single : B 70 SER OG : rot 180:sc= 0 USER MOD Single : B 72 LYS NZ :NH3+ -176:sc=0.000257 (180deg=0) USER MOD Single : B 76 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 SER OG : rot -91:sc= 2.41 USER MOD Single : B 81 ASN : amide:sc= 3 K(o=3,f=-5.8!) USER MOD Single : B 83 LYS NZ :NH3+ -133:sc= -0.311 (180deg=-0.491) USER MOD Single : B 84 ASN : amide:sc= 1.35 K(o=1.4,f=-3.4!) USER MOD Single : B 85 THR OG1 : rot 66:sc= 1.62 USER MOD Single : B 87 TYR OH : rot 1:sc= 1.61 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 THR OG1 : rot 91:sc= 0.626 USER MOD Single : B 102 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 TYR OH : rot 180:sc= 0 USER MOD Single : B 111 ASN : amide:sc= -0.718 K(o=-0.72,f=-5.4!) USER MOD Single : B 113 TYR OH : rot -49:sc= 0.00475 USER MOD Single : B 117 TYR OH : rot -7:sc= 1.3 USER MOD Single : B 119 TYR OH : rot -150:sc= 2.17 USER MOD Single : B 122 GLN : amide:sc= -0.0107 K(o=-0.011,f=-0.59) USER MOD Single : B 124 THR OG1 : rot 180:sc= -0.0445 USER MOD Single : B 129 SER OG : rot 180:sc= 0 USER MOD Single : B 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 152.120 37.321 32.813 1.00 40.32 N ATOM 2 CA HIS A 1 151.633 36.038 32.217 1.00 39.72 C ATOM 3 C HIS A 1 150.332 36.229 31.436 1.00 34.96 C ATOM 4 O HIS A 1 149.655 37.247 31.593 1.00 34.26 O ATOM 5 CB HIS A 1 151.469 34.972 33.303 1.00 43.64 C ATOM 6 CG HIS A 1 152.747 34.632 34.004 1.00 50.47 C ATOM 7 ND1 HIS A 1 153.039 35.076 35.276 1.00 52.92 N ATOM 8 CD2 HIS A 1 153.820 33.910 33.602 1.00 51.28 C ATOM 9 CE1 HIS A 1 154.233 34.633 35.631 1.00 52.82 C ATOM 10 NE2 HIS A 1 154.727 33.923 34.633 1.00 55.57 N ATOM 0 H1 HIS A 1 152.946 37.488 32.526 1.00 40.32 H new ATOM 0 H2 HIS A 1 151.581 37.986 32.568 1.00 40.32 H new ATOM 0 H3 HIS A 1 152.123 37.254 33.700 1.00 40.32 H new ATOM 0 HA HIS A 1 152.303 35.735 31.584 1.00 39.72 H new ATOM 0 HB2 HIS A 1 150.823 35.283 33.956 1.00 43.64 H new ATOM 0 HB3 HIS A 1 151.104 34.167 32.904 1.00 43.64 H new ATOM 0 HD2 HIS A 1 153.923 33.485 32.781 1.00 51.28 H new ATOM 0 HE1 HIS A 1 154.653 34.794 36.445 1.00 52.82 H new ATOM 0 HE2 HIS A 1 155.493 33.532 34.629 1.00 55.57 H new ATOM 11 N HIS A 2 149.996 35.246 30.599 1.00 29.85 N ATOM 12 CA HIS A 2 148.816 35.317 29.723 1.00 28.35 C ATOM 13 C HIS A 2 147.483 35.251 30.479 1.00 26.62 C ATOM 14 O HIS A 2 146.506 35.905 30.089 1.00 23.24 O ATOM 15 CB HIS A 2 148.880 34.223 28.648 1.00 30.08 C ATOM 16 CG HIS A 2 147.687 34.190 27.738 1.00 33.44 C ATOM 17 ND1 HIS A 2 147.345 35.243 26.916 1.00 33.98 N ATOM 18 CD2 HIS A 2 146.762 33.225 27.515 1.00 35.58 C ATOM 19 CE1 HIS A 2 146.257 34.932 26.231 1.00 31.06 C ATOM 20 NE2 HIS A 2 145.882 33.713 26.577 1.00 34.40 N ATOM 0 H HIS A 2 150.445 34.517 30.521 1.00 29.85 H new ATOM 0 HA HIS A 2 148.844 36.190 29.302 1.00 28.35 H new ATOM 0 HB2 HIS A 2 149.679 34.354 28.114 1.00 30.08 H new ATOM 0 HB3 HIS A 2 148.968 33.360 29.083 1.00 30.08 H new ATOM 0 HD2 HIS A 2 146.728 32.389 27.921 1.00 35.58 H new ATOM 0 HE1 HIS A 2 145.829 35.478 25.612 1.00 31.06 H new ATOM 0 HE2 HIS A 2 145.199 33.293 26.266 1.00 34.40 H new ATOM 21 N HIS A 3 147.445 34.451 31.543 1.00 23.98 N ATOM 22 CA HIS A 3 146.251 34.324 32.379 1.00 25.09 C ATOM 23 C HIS A 3 146.469 34.923 33.762 1.00 26.85 C ATOM 24 O HIS A 3 147.583 34.887 34.290 1.00 27.28 O ATOM 25 CB HIS A 3 145.872 32.852 32.561 1.00 24.43 C ATOM 26 CG HIS A 3 145.335 32.197 31.327 1.00 23.46 C ATOM 27 ND1 HIS A 3 144.110 32.519 30.781 1.00 22.96 N ATOM 28 CD2 HIS A 3 145.849 31.217 30.544 1.00 24.47 C ATOM 29 CE1 HIS A 3 143.896 31.772 29.711 1.00 24.04 C ATOM 30 NE2 HIS A 3 144.937 30.974 29.545 1.00 24.66 N ATOM 0 H HIS A 3 148.108 33.968 31.800 1.00 23.98 H new ATOM 0 HA HIS A 3 145.541 34.804 31.925 1.00 25.09 H new ATOM 0 HB2 HIS A 3 146.654 32.362 32.860 1.00 24.43 H new ATOM 0 HB3 HIS A 3 145.208 32.784 33.265 1.00 24.43 H new ATOM 0 HD1 HIS A 3 143.570 33.113 31.089 1.00 22.96 H new ATOM 0 HD2 HIS A 3 146.666 30.789 30.661 1.00 24.47 H new ATOM 0 HE1 HIS A 3 143.142 31.803 29.168 1.00 24.04 H new ATOM 31 N HIS A 4 145.398 35.441 34.360 1.00 28.37 N ATOM 32 CA HIS A 4 145.417 35.770 35.782 1.00 30.14 C ATOM 33 C HIS A 4 145.277 34.468 36.576 1.00 27.08 C ATOM 34 O HIS A 4 145.204 33.377 36.001 1.00 23.46 O ATOM 35 CB HIS A 4 144.283 36.740 36.147 1.00 35.47 C ATOM 36 CG HIS A 4 144.604 37.656 37.292 1.00 38.82 C ATOM 37 ND1 HIS A 4 145.439 37.297 38.330 1.00 38.47 N ATOM 38 CD2 HIS A 4 144.188 38.916 37.567 1.00 37.05 C ATOM 39 CE1 HIS A 4 145.534 38.299 39.185 1.00 39.56 C ATOM 40 NE2 HIS A 4 144.782 39.292 38.745 1.00 40.72 N ATOM 0 H HIS A 4 144.654 35.609 33.962 1.00 28.37 H new ATOM 0 HA HIS A 4 146.253 36.211 35.999 1.00 30.14 H new ATOM 0 HB2 HIS A 4 144.066 37.276 35.368 1.00 35.47 H new ATOM 0 HB3 HIS A 4 143.490 36.227 36.369 1.00 35.47 H new ATOM 0 HD2 HIS A 4 143.608 39.430 37.053 1.00 37.05 H new ATOM 0 HE1 HIS A 4 146.043 38.305 39.963 1.00 39.56 H new ATOM 0 HE2 HIS A 4 144.681 40.052 39.134 1.00 40.72 H new ATOM 41 N HIS A 5 145.234 34.582 37.895 1.00 22.57 N ATOM 42 CA HIS A 5 145.068 33.412 38.742 1.00 21.84 C ATOM 43 C HIS A 5 143.603 32.971 38.715 1.00 23.08 C ATOM 44 O HIS A 5 142.703 33.780 38.943 1.00 28.77 O ATOM 45 CB HIS A 5 145.582 33.698 40.158 1.00 21.86 C ATOM 46 CG HIS A 5 147.033 34.082 40.202 1.00 22.27 C ATOM 47 ND1 HIS A 5 147.568 34.867 41.201 1.00 22.51 N ATOM 48 CD2 HIS A 5 148.054 33.806 39.355 1.00 23.70 C ATOM 49 CE1 HIS A 5 148.858 35.050 40.975 1.00 23.35 C ATOM 50 NE2 HIS A 5 149.178 34.417 39.861 1.00 22.83 N ATOM 0 H HIS A 5 145.299 35.327 38.319 1.00 22.57 H new ATOM 0 HA HIS A 5 145.600 32.675 38.403 1.00 21.84 H new ATOM 0 HB2 HIS A 5 145.054 34.412 40.548 1.00 21.86 H new ATOM 0 HB3 HIS A 5 145.446 32.911 40.709 1.00 21.86 H new ATOM 0 HD2 HIS A 5 148.004 33.299 38.577 1.00 23.70 H new ATOM 0 HE1 HIS A 5 149.440 35.541 41.509 1.00 23.35 H new ATOM 0 HE2 HIS A 5 149.962 34.391 39.509 1.00 22.83 H new ATOM 51 N HIS A 6 143.384 31.711 38.342 1.00 19.61 N ATOM 52 CA HIS A 6 142.078 31.048 38.401 1.00 19.00 C ATOM 53 C HIS A 6 142.325 29.713 39.099 1.00 19.46 C ATOM 54 O HIS A 6 143.461 29.245 39.130 1.00 17.73 O ATOM 55 CB HIS A 6 141.532 30.746 36.997 1.00 20.53 C ATOM 56 CG HIS A 6 141.358 31.947 36.115 1.00 19.19 C ATOM 57 ND1 HIS A 6 140.391 32.904 36.338 1.00 22.55 N ATOM 58 CD2 HIS A 6 141.992 32.313 34.976 1.00 20.66 C ATOM 59 CE1 HIS A 6 140.459 33.825 35.392 1.00 20.85 C ATOM 60 NE2 HIS A 6 141.423 33.489 34.552 1.00 21.76 N ATOM 0 H HIS A 6 144.008 31.203 38.039 1.00 19.61 H new ATOM 0 HA HIS A 6 141.438 31.616 38.857 1.00 19.00 H new ATOM 0 HB2 HIS A 6 142.132 30.123 36.558 1.00 20.53 H new ATOM 0 HB3 HIS A 6 140.675 30.300 37.086 1.00 20.53 H new ATOM 0 HD1 HIS A 6 139.831 32.902 36.991 1.00 22.55 H new ATOM 0 HD2 HIS A 6 142.684 31.853 34.558 1.00 20.66 H new ATOM 0 HE1 HIS A 6 139.920 34.581 35.328 1.00 20.85 H new ATOM 61 N THR A 7 141.281 29.084 39.636 1.00 19.07 N ATOM 62 CA THR A 7 141.408 27.713 40.158 1.00 21.05 C ATOM 63 C THR A 7 140.230 26.861 39.720 1.00 20.68 C ATOM 64 O THR A 7 139.119 27.367 39.591 1.00 22.01 O ATOM 65 CB THR A 7 141.512 27.649 41.696 1.00 21.81 C ATOM 66 OG1 THR A 7 140.290 28.116 42.290 1.00 23.08 O ATOM 67 CG2 THR A 7 142.698 28.468 42.199 1.00 22.44 C ATOM 0 H THR A 7 140.495 29.425 39.710 1.00 19.07 H new ATOM 0 HA THR A 7 142.237 27.370 39.789 1.00 21.05 H new ATOM 0 HB THR A 7 141.656 26.726 41.956 1.00 21.81 H new ATOM 0 HG1 THR A 7 140.352 28.077 43.127 1.00 23.08 H new ATOM 0 HG21 THR A 7 142.743 28.413 43.166 1.00 22.44 H new ATOM 0 HG22 THR A 7 143.518 28.118 41.817 1.00 22.44 H new ATOM 0 HG23 THR A 7 142.588 29.394 41.933 1.00 22.44 H new ATOM 68 N GLY A 8 140.480 25.571 39.496 1.00 18.30 N ATOM 69 CA GLY A 8 139.454 24.652 38.996 1.00 18.02 C ATOM 70 C GLY A 8 139.011 24.982 37.581 1.00 17.28 C ATOM 71 O GLY A 8 139.767 25.591 36.816 1.00 16.12 O ATOM 0 H GLY A 8 141.246 25.204 39.629 1.00 18.30 H new ATOM 0 HA2 GLY A 8 139.798 23.745 39.020 1.00 18.02 H new ATOM 0 HA3 GLY A 8 138.685 24.680 39.586 1.00 18.02 H new ATOM 72 N TRP A 9 137.787 24.568 37.243 1.00 17.20 N ATOM 73 CA TRP A 9 137.194 24.805 35.923 1.00 16.01 C ATOM 74 C TRP A 9 136.661 26.234 35.809 1.00 16.97 C ATOM 75 O TRP A 9 135.899 26.693 36.668 1.00 18.60 O ATOM 76 CB TRP A 9 136.030 23.831 35.660 1.00 17.61 C ATOM 77 CG TRP A 9 136.421 22.422 35.298 1.00 18.02 C ATOM 78 CD1 TRP A 9 136.229 21.297 36.056 1.00 20.11 C ATOM 79 CD2 TRP A 9 137.054 21.985 34.087 1.00 18.98 C ATOM 80 NE1 TRP A 9 136.711 20.190 35.393 1.00 19.42 N ATOM 81 CE2 TRP A 9 137.222 20.581 34.184 1.00 19.19 C ATOM 82 CE3 TRP A 9 137.502 22.643 32.933 1.00 18.56 C ATOM 83 CZ2 TRP A 9 137.811 19.822 33.166 1.00 20.75 C ATOM 84 CZ3 TRP A 9 138.087 21.889 31.918 1.00 20.29 C ATOM 85 CH2 TRP A 9 138.241 20.490 32.046 1.00 20.91 C ATOM 0 H TRP A 9 137.272 24.137 37.780 1.00 17.20 H new ATOM 0 HA TRP A 9 137.895 24.664 35.267 1.00 16.01 H new ATOM 0 HB2 TRP A 9 135.472 23.800 36.453 1.00 17.61 H new ATOM 0 HB3 TRP A 9 135.485 24.191 34.943 1.00 17.61 H new ATOM 0 HD1 TRP A 9 135.831 21.283 36.896 1.00 20.11 H new ATOM 0 HE1 TRP A 9 136.694 19.383 35.690 1.00 19.42 H new ATOM 0 HE3 TRP A 9 137.411 23.564 32.847 1.00 18.56 H new ATOM 0 HZ2 TRP A 9 137.907 18.900 33.245 1.00 20.75 H new ATOM 0 HZ3 TRP A 9 138.381 22.313 31.144 1.00 20.29 H new ATOM 0 HH2 TRP A 9 138.642 20.011 31.357 1.00 20.91 H new ATOM 86 N VAL A 10 137.067 26.931 34.755 1.00 14.59 N ATOM 87 CA VAL A 10 136.563 28.280 34.472 1.00 16.44 C ATOM 88 C VAL A 10 136.232 28.437 32.989 1.00 16.88 C ATOM 89 O VAL A 10 136.885 27.829 32.130 1.00 16.74 O ATOM 90 CB VAL A 10 137.541 29.398 34.917 1.00 17.00 C ATOM 91 CG1 VAL A 10 137.707 29.421 36.436 1.00 17.31 C ATOM 92 CG2 VAL A 10 138.895 29.281 34.220 1.00 17.22 C ATOM 0 H VAL A 10 137.640 26.641 34.183 1.00 14.59 H new ATOM 0 HA VAL A 10 135.754 28.382 34.997 1.00 16.44 H new ATOM 0 HB VAL A 10 137.148 30.242 34.647 1.00 17.00 H new ATOM 0 HG11 VAL A 10 138.323 30.128 36.684 1.00 17.31 H new ATOM 0 HG12 VAL A 10 136.846 29.581 36.853 1.00 17.31 H new ATOM 0 HG13 VAL A 10 138.058 28.568 36.736 1.00 17.31 H new ATOM 0 HG21 VAL A 10 139.478 29.995 34.523 1.00 17.22 H new ATOM 0 HG22 VAL A 10 139.296 28.424 34.434 1.00 17.22 H new ATOM 0 HG23 VAL A 10 138.772 29.350 33.260 1.00 17.22 H new ATOM 93 N THR A 11 135.211 29.246 32.694 1.00 15.90 N ATOM 94 CA THR A 11 134.852 29.561 31.314 1.00 16.35 C ATOM 95 C THR A 11 135.559 30.840 30.862 1.00 16.17 C ATOM 96 O THR A 11 135.400 31.898 31.482 1.00 16.41 O ATOM 97 CB THR A 11 133.324 29.737 31.152 1.00 17.77 C ATOM 98 OG1 THR A 11 132.652 28.550 31.592 1.00 19.78 O ATOM 99 CG2 THR A 11 132.969 30.011 29.692 1.00 18.14 C ATOM 0 H THR A 11 134.713 29.623 33.285 1.00 15.90 H new ATOM 0 HA THR A 11 135.136 28.816 30.761 1.00 16.35 H new ATOM 0 HB THR A 11 133.040 30.492 31.691 1.00 17.77 H new ATOM 0 HG1 THR A 11 131.822 28.649 31.504 1.00 19.78 H new ATOM 0 HG21 THR A 11 132.009 30.119 29.607 1.00 18.14 H new ATOM 0 HG22 THR A 11 133.412 30.822 29.398 1.00 18.14 H new ATOM 0 HG23 THR A 11 133.260 29.266 29.143 1.00 18.14 H new ATOM 100 N ILE A 12 136.362 30.730 29.802 1.00 15.17 N ATOM 101 CA ILE A 12 137.050 31.880 29.213 1.00 14.19 C ATOM 102 C ILE A 12 136.881 31.854 27.692 1.00 14.28 C ATOM 103 O ILE A 12 137.223 30.869 27.032 1.00 13.78 O ATOM 104 CB ILE A 12 138.561 31.904 29.555 1.00 15.15 C ATOM 105 CG1 ILE A 12 138.801 31.759 31.062 1.00 15.01 C ATOM 106 CG2 ILE A 12 139.224 33.164 29.014 1.00 15.03 C ATOM 107 CD1 ILE A 12 140.274 31.628 31.411 1.00 14.48 C ATOM 0 H ILE A 12 136.523 29.985 29.404 1.00 15.17 H new ATOM 0 HA ILE A 12 136.649 32.679 29.589 1.00 14.19 H new ATOM 0 HB ILE A 12 138.970 31.139 29.121 1.00 15.15 H new ATOM 0 HG12 ILE A 12 138.431 32.530 31.520 1.00 15.01 H new ATOM 0 HG13 ILE A 12 138.325 30.980 31.388 1.00 15.01 H new ATOM 0 HG21 ILE A 12 140.167 33.156 29.240 1.00 15.03 H new ATOM 0 HG22 ILE A 12 139.123 33.194 28.050 1.00 15.03 H new ATOM 0 HG23 ILE A 12 138.804 33.945 29.407 1.00 15.03 H new ATOM 0 HD11 ILE A 12 140.372 31.539 32.372 1.00 14.48 H new ATOM 0 HD12 ILE A 12 140.642 30.843 30.975 1.00 14.48 H new ATOM 0 HD13 ILE A 12 140.750 32.418 31.109 1.00 14.48 H new ATOM 108 N ASP A 13 136.321 32.936 27.151 1.00 15.09 N ATOM 109 CA ASP A 13 136.160 33.106 25.698 1.00 16.14 C ATOM 110 C ASP A 13 135.614 31.837 25.041 1.00 16.14 C ATOM 111 O ASP A 13 136.181 31.323 24.068 1.00 16.51 O ATOM 112 CB ASP A 13 137.489 33.560 25.052 1.00 16.57 C ATOM 113 CG ASP A 13 137.913 34.975 25.466 1.00 18.85 C ATOM 114 OD1 ASP A 13 137.191 35.632 26.251 1.00 18.93 O ATOM 115 OD2 ASP A 13 138.982 35.439 24.997 1.00 16.59 O ATOM 0 H ASP A 13 136.022 33.596 27.614 1.00 15.09 H new ATOM 0 HA ASP A 13 135.504 33.804 25.548 1.00 16.14 H new ATOM 0 HB2 ASP A 13 138.190 32.935 25.295 1.00 16.57 H new ATOM 0 HB3 ASP A 13 137.401 33.525 24.087 1.00 16.57 H new ATOM 116 N GLY A 14 134.521 31.316 25.597 1.00 15.21 N ATOM 117 CA GLY A 14 133.786 30.219 24.992 1.00 15.41 C ATOM 118 C GLY A 14 134.344 28.817 25.173 1.00 17.00 C ATOM 119 O GLY A 14 133.841 27.873 24.575 1.00 16.80 O ATOM 0 H GLY A 14 134.187 31.594 26.339 1.00 15.21 H new ATOM 0 HA2 GLY A 14 132.884 30.231 25.348 1.00 15.41 H new ATOM 0 HA3 GLY A 14 133.717 30.393 24.040 1.00 15.41 H new ATOM 120 N ARG A 15 135.378 28.674 25.996 1.00 14.95 N ATOM 121 CA ARG A 15 135.935 27.355 26.296 1.00 15.60 C ATOM 122 C ARG A 15 136.116 27.162 27.794 1.00 15.66 C ATOM 123 O ARG A 15 136.318 28.134 28.519 1.00 15.06 O ATOM 124 CB ARG A 15 137.281 27.163 25.589 1.00 15.68 C ATOM 125 CG ARG A 15 137.198 26.982 24.081 1.00 16.41 C ATOM 126 CD ARG A 15 136.515 25.672 23.675 1.00 16.39 C ATOM 127 NE ARG A 15 137.098 24.480 24.313 1.00 16.58 N ATOM 128 CZ ARG A 15 138.175 23.821 23.875 1.00 16.94 C ATOM 129 NH1 ARG A 15 138.829 24.223 22.783 1.00 16.06 N ATOM 130 NH2 ARG A 15 138.620 22.759 24.545 1.00 16.49 N ATOM 0 H ARG A 15 135.773 29.327 26.392 1.00 14.95 H new ATOM 0 HA ARG A 15 135.306 26.692 25.971 1.00 15.60 H new ATOM 0 HB2 ARG A 15 137.842 27.931 25.778 1.00 15.68 H new ATOM 0 HB3 ARG A 15 137.723 26.388 25.970 1.00 15.68 H new ATOM 0 HG2 ARG A 15 136.711 27.728 23.697 1.00 16.41 H new ATOM 0 HG3 ARG A 15 138.093 27.004 23.707 1.00 16.41 H new ATOM 0 HD2 ARG A 15 135.573 25.723 23.902 1.00 16.39 H new ATOM 0 HD3 ARG A 15 136.569 25.573 22.712 1.00 16.39 H new ATOM 0 HE ARG A 15 136.715 24.184 25.024 1.00 16.58 H new ATOM 0 HH11 ARG A 15 138.559 24.915 22.350 1.00 16.06 H new ATOM 0 HH12 ARG A 15 139.521 23.790 22.512 1.00 16.06 H new ATOM 0 HH21 ARG A 15 138.214 22.499 25.257 1.00 16.49 H new ATOM 0 HH22 ARG A 15 139.313 22.333 24.265 1.00 16.49 H new ATOM 131 N ARG A 16 136.044 25.908 28.246 1.00 14.63 N ATOM 132 CA ARG A 16 136.323 25.558 29.644 1.00 16.39 C ATOM 133 C ARG A 16 137.798 25.227 29.818 1.00 15.99 C ATOM 134 O ARG A 16 138.349 24.384 29.089 1.00 14.95 O ATOM 135 CB ARG A 16 135.458 24.373 30.101 1.00 18.31 C ATOM 136 CG ARG A 16 133.965 24.644 30.063 1.00 21.12 C ATOM 137 CD ARG A 16 133.540 25.505 31.238 1.00 25.55 C ATOM 138 NE ARG A 16 133.292 24.693 32.426 1.00 28.18 N ATOM 139 CZ ARG A 16 132.993 25.184 33.624 1.00 29.53 C ATOM 140 NH1 ARG A 16 132.915 26.497 33.812 1.00 29.13 N ATOM 141 NH2 ARG A 16 132.781 24.354 34.638 1.00 27.08 N ATOM 0 H ARG A 16 135.832 25.236 27.752 1.00 14.63 H new ATOM 0 HA ARG A 16 136.102 26.324 30.196 1.00 16.39 H new ATOM 0 HB2 ARG A 16 135.652 23.607 29.538 1.00 18.31 H new ATOM 0 HB3 ARG A 16 135.710 24.131 31.006 1.00 18.31 H new ATOM 0 HG2 ARG A 16 133.734 25.088 29.232 1.00 21.12 H new ATOM 0 HG3 ARG A 16 133.480 23.804 30.080 1.00 21.12 H new ATOM 0 HD2 ARG A 16 134.230 26.159 31.429 1.00 25.55 H new ATOM 0 HD3 ARG A 16 132.737 25.998 31.007 1.00 25.55 H new ATOM 0 HE ARG A 16 133.343 23.838 32.345 1.00 28.18 H new ATOM 0 HH11 ARG A 16 133.058 27.035 33.156 1.00 29.13 H new ATOM 0 HH12 ARG A 16 132.721 26.809 34.589 1.00 29.13 H new ATOM 0 HH21 ARG A 16 132.838 23.504 34.517 1.00 27.08 H new ATOM 0 HH22 ARG A 16 132.587 24.666 35.416 1.00 27.08 H new ATOM 142 N TYR A 17 138.440 25.920 30.762 1.00 14.59 N ATOM 143 CA TYR A 17 139.845 25.682 31.112 1.00 14.34 C ATOM 144 C TYR A 17 139.930 25.129 32.534 1.00 14.17 C ATOM 145 O TYR A 17 139.115 25.485 33.392 1.00 13.87 O ATOM 146 CB TYR A 17 140.645 26.992 31.095 1.00 13.43 C ATOM 147 CG TYR A 17 140.815 27.707 29.767 1.00 13.69 C ATOM 148 CD1 TYR A 17 139.721 28.265 29.096 1.00 13.26 C ATOM 149 CD2 TYR A 17 142.087 27.892 29.219 1.00 13.16 C ATOM 150 CE1 TYR A 17 139.887 28.945 27.897 1.00 13.83 C ATOM 151 CE2 TYR A 17 142.263 28.580 28.022 1.00 12.94 C ATOM 152 CZ TYR A 17 141.154 29.104 27.372 1.00 13.31 C ATOM 153 OH TYR A 17 141.312 29.785 26.189 1.00 15.45 O ATOM 0 H TYR A 17 138.070 26.546 31.221 1.00 14.59 H new ATOM 0 HA TYR A 17 140.208 25.059 30.463 1.00 14.34 H new ATOM 0 HB2 TYR A 17 140.219 27.608 31.712 1.00 13.43 H new ATOM 0 HB3 TYR A 17 141.529 26.805 31.447 1.00 13.43 H new ATOM 0 HD1 TYR A 17 138.869 28.179 29.459 1.00 13.26 H new ATOM 0 HD2 TYR A 17 142.829 27.549 29.662 1.00 13.16 H new ATOM 0 HE1 TYR A 17 139.149 29.292 27.450 1.00 13.83 H new ATOM 0 HE2 TYR A 17 143.114 28.687 27.662 1.00 12.94 H new ATOM 0 HH TYR A 17 142.127 29.809 25.986 1.00 15.45 H new ATOM 154 N TYR A 18 140.930 24.285 32.800 1.00 13.73 N ATOM 155 CA TYR A 18 141.182 23.818 34.167 1.00 13.52 C ATOM 156 C TYR A 18 142.498 24.365 34.707 1.00 14.88 C ATOM 157 O TYR A 18 143.561 24.180 34.096 1.00 15.25 O ATOM 158 CB TYR A 18 141.169 22.282 34.241 1.00 14.64 C ATOM 159 CG TYR A 18 141.183 21.749 35.659 1.00 15.72 C ATOM 160 CD1 TYR A 18 140.006 21.672 36.407 1.00 16.17 C ATOM 161 CD2 TYR A 18 142.376 21.316 36.255 1.00 16.50 C ATOM 162 CE1 TYR A 18 140.013 21.178 37.706 1.00 17.07 C ATOM 163 CE2 TYR A 18 142.387 20.830 37.553 1.00 17.01 C ATOM 164 CZ TYR A 18 141.211 20.759 38.271 1.00 17.55 C ATOM 165 OH TYR A 18 141.227 20.270 39.568 1.00 18.97 O ATOM 0 H TYR A 18 141.470 23.973 32.208 1.00 13.73 H new ATOM 0 HA TYR A 18 140.464 24.156 34.724 1.00 13.52 H new ATOM 0 HB2 TYR A 18 140.380 21.949 33.785 1.00 14.64 H new ATOM 0 HB3 TYR A 18 141.939 21.935 33.764 1.00 14.64 H new ATOM 0 HD1 TYR A 18 139.205 21.956 36.030 1.00 16.17 H new ATOM 0 HD2 TYR A 18 143.170 21.355 35.773 1.00 16.50 H new ATOM 0 HE1 TYR A 18 139.222 21.128 38.193 1.00 17.07 H new ATOM 0 HE2 TYR A 18 143.186 20.552 37.939 1.00 17.01 H new ATOM 0 HH TYR A 18 141.854 19.717 39.652 1.00 18.97 H new ATOM 166 N PHE A 19 142.416 25.035 35.855 1.00 13.96 N ATOM 167 CA PHE A 19 143.594 25.595 36.513 1.00 14.85 C ATOM 168 C PHE A 19 143.876 24.791 37.774 1.00 15.58 C ATOM 169 O PHE A 19 142.950 24.442 38.514 1.00 15.53 O ATOM 170 CB PHE A 19 143.371 27.089 36.812 1.00 15.12 C ATOM 171 CG PHE A 19 143.464 27.961 35.586 1.00 14.89 C ATOM 172 CD1 PHE A 19 142.418 28.020 34.666 1.00 16.13 C ATOM 173 CD2 PHE A 19 144.609 28.706 35.336 1.00 18.10 C ATOM 174 CE1 PHE A 19 142.523 28.807 33.525 1.00 16.40 C ATOM 175 CE2 PHE A 19 144.718 29.493 34.198 1.00 16.84 C ATOM 176 CZ PHE A 19 143.676 29.536 33.287 1.00 16.99 C ATOM 0 H PHE A 19 141.678 25.177 36.273 1.00 13.96 H new ATOM 0 HA PHE A 19 144.370 25.536 35.933 1.00 14.85 H new ATOM 0 HB2 PHE A 19 142.498 27.205 37.218 1.00 15.12 H new ATOM 0 HB3 PHE A 19 144.028 27.384 37.462 1.00 15.12 H new ATOM 0 HD1 PHE A 19 141.643 27.528 34.817 1.00 16.13 H new ATOM 0 HD2 PHE A 19 145.315 28.677 35.941 1.00 18.10 H new ATOM 0 HE1 PHE A 19 141.817 28.844 32.920 1.00 16.40 H new ATOM 0 HE2 PHE A 19 145.489 29.990 34.048 1.00 16.84 H new ATOM 0 HZ PHE A 19 143.750 30.053 32.518 1.00 16.99 H new ATOM 177 N GLU A 20 145.150 24.469 37.999 1.00 17.31 N ATOM 178 CA GLU A 20 145.537 23.626 39.136 1.00 19.61 C ATOM 179 C GLU A 20 145.193 24.311 40.457 1.00 20.17 C ATOM 180 O GLU A 20 145.627 25.435 40.694 1.00 19.24 O ATOM 181 CB GLU A 20 147.034 23.299 39.090 1.00 20.99 C ATOM 182 CG GLU A 20 147.455 22.357 37.966 1.00 23.08 C ATOM 183 CD GLU A 20 147.038 20.915 38.210 1.00 23.66 C ATOM 184 OE1 GLU A 20 146.419 20.625 39.257 1.00 24.66 O ATOM 185 OE2 GLU A 20 147.343 20.066 37.347 1.00 26.68 O ATOM 0 H GLU A 20 145.806 24.727 37.507 1.00 17.31 H new ATOM 0 HA GLU A 20 145.038 22.797 39.074 1.00 19.61 H new ATOM 0 HB2 GLU A 20 147.530 24.128 39.001 1.00 20.99 H new ATOM 0 HB3 GLU A 20 147.291 22.904 39.938 1.00 20.99 H new ATOM 0 HG2 GLU A 20 147.067 22.664 37.132 1.00 23.08 H new ATOM 0 HG3 GLU A 20 148.419 22.396 37.862 1.00 23.08 H new ATOM 186 N PRO A 21 144.402 23.639 41.317 1.00 21.36 N ATOM 187 CA PRO A 21 143.992 24.241 42.578 1.00 22.91 C ATOM 188 C PRO A 21 145.149 24.686 43.476 1.00 23.04 C ATOM 189 O PRO A 21 144.982 25.643 44.225 1.00 24.23 O ATOM 190 CB PRO A 21 143.190 23.124 43.249 1.00 25.88 C ATOM 191 CG PRO A 21 142.585 22.389 42.096 1.00 25.56 C ATOM 192 CD PRO A 21 143.672 22.380 41.056 1.00 23.10 C ATOM 0 HA PRO A 21 143.498 25.062 42.425 1.00 22.91 H new ATOM 0 HB2 PRO A 21 143.759 22.547 43.782 1.00 25.88 H new ATOM 0 HB3 PRO A 21 142.510 23.479 43.843 1.00 25.88 H new ATOM 0 HG2 PRO A 21 142.326 21.488 42.346 1.00 25.56 H new ATOM 0 HG3 PRO A 21 141.787 22.834 41.771 1.00 25.56 H new ATOM 0 HD2 PRO A 21 144.249 21.606 41.148 1.00 23.10 H new ATOM 0 HD3 PRO A 21 143.308 22.357 40.157 1.00 23.10 H new ATOM 193 N ASN A 22 146.304 24.024 43.388 1.00 22.23 N ATOM 194 CA ASN A 22 147.425 24.345 44.289 1.00 23.35 C ATOM 195 C ASN A 22 148.337 25.484 43.833 1.00 23.77 C ATOM 196 O ASN A 22 149.033 26.085 44.658 1.00 22.18 O ATOM 197 CB ASN A 22 148.251 23.090 44.598 1.00 24.24 C ATOM 198 CG ASN A 22 147.470 22.050 45.389 1.00 27.08 C ATOM 199 OD1 ASN A 22 146.531 22.374 46.126 1.00 25.65 O ATOM 200 ND2 ASN A 22 147.862 20.788 45.242 1.00 26.26 N ATOM 0 H ASN A 22 146.462 23.394 42.824 1.00 22.23 H new ATOM 0 HA ASN A 22 146.999 24.676 45.095 1.00 23.35 H new ATOM 0 HB2 ASN A 22 148.556 22.696 43.766 1.00 24.24 H new ATOM 0 HB3 ASN A 22 149.042 23.344 45.098 1.00 24.24 H new ATOM 0 HD21 ASN A 22 147.458 20.160 45.668 1.00 26.26 H new ATOM 0 HD22 ASN A 22 148.519 20.600 44.720 1.00 26.26 H new ATOM 201 N THR A 23 148.327 25.787 42.535 1.00 20.18 N ATOM 202 CA THR A 23 149.231 26.790 41.965 1.00 19.06 C ATOM 203 C THR A 23 148.503 27.933 41.267 1.00 18.67 C ATOM 204 O THR A 23 149.089 28.993 41.028 1.00 18.92 O ATOM 205 CB THR A 23 150.200 26.157 40.947 1.00 20.44 C ATOM 206 OG1 THR A 23 149.451 25.606 39.855 1.00 20.68 O ATOM 207 CG2 THR A 23 151.032 25.050 41.601 1.00 22.83 C ATOM 0 H THR A 23 147.800 25.420 41.963 1.00 20.18 H new ATOM 0 HA THR A 23 149.716 27.149 42.724 1.00 19.06 H new ATOM 0 HB THR A 23 150.801 26.846 40.624 1.00 20.44 H new ATOM 0 HG1 THR A 23 149.942 25.089 39.411 1.00 20.68 H new ATOM 0 HG21 THR A 23 151.634 24.666 40.944 1.00 22.83 H new ATOM 0 HG22 THR A 23 151.548 25.422 42.333 1.00 22.83 H new ATOM 0 HG23 THR A 23 150.442 24.359 41.941 1.00 22.83 H new ATOM 208 N ALA A 24 147.239 27.697 40.910 1.00 17.86 N ATOM 209 CA ALA A 24 146.449 28.655 40.135 1.00 17.51 C ATOM 210 C ALA A 24 147.016 28.934 38.733 1.00 18.40 C ATOM 211 O ALA A 24 146.751 29.992 38.153 1.00 19.36 O ATOM 212 CB ALA A 24 146.231 29.954 40.922 1.00 17.84 C ATOM 0 H ALA A 24 146.816 26.976 41.111 1.00 17.86 H new ATOM 0 HA ALA A 24 145.587 28.235 39.988 1.00 17.51 H new ATOM 0 HB1 ALA A 24 145.706 30.571 40.389 1.00 17.84 H new ATOM 0 HB2 ALA A 24 145.759 29.758 41.747 1.00 17.84 H new ATOM 0 HB3 ALA A 24 147.090 30.355 41.129 1.00 17.84 H new ATOM 213 N ILE A 25 147.785 27.991 38.185 1.00 17.70 N ATOM 214 CA ILE A 25 148.201 28.079 36.769 1.00 18.40 C ATOM 215 C ILE A 25 147.563 26.952 35.944 1.00 16.93 C ATOM 216 O ILE A 25 147.132 25.935 36.497 1.00 15.97 O ATOM 217 CB ILE A 25 149.740 28.147 36.560 1.00 22.29 C ATOM 218 CG1 ILE A 25 150.409 26.824 36.920 1.00 23.25 C ATOM 219 CG2 ILE A 25 150.359 29.324 37.320 1.00 24.79 C ATOM 220 CD1 ILE A 25 151.863 26.733 36.496 1.00 27.42 C ATOM 0 H ILE A 25 148.077 27.299 38.604 1.00 17.70 H new ATOM 0 HA ILE A 25 147.868 28.930 36.444 1.00 18.40 H new ATOM 0 HB ILE A 25 149.900 28.302 35.616 1.00 22.29 H new ATOM 0 HG12 ILE A 25 150.353 26.694 37.880 1.00 23.25 H new ATOM 0 HG13 ILE A 25 149.915 26.099 36.506 1.00 23.25 H new ATOM 0 HG21 ILE A 25 151.317 29.339 37.170 1.00 24.79 H new ATOM 0 HG22 ILE A 25 149.970 30.154 37.004 1.00 24.79 H new ATOM 0 HG23 ILE A 25 150.183 29.226 38.269 1.00 24.79 H new ATOM 0 HD11 ILE A 25 152.222 25.870 36.755 1.00 27.42 H new ATOM 0 HD12 ILE A 25 151.926 26.833 35.533 1.00 27.42 H new ATOM 0 HD13 ILE A 25 152.371 27.437 36.928 1.00 27.42 H new ATOM 221 N GLY A 26 147.484 27.153 34.633 1.00 17.50 N ATOM 222 CA GLY A 26 146.776 26.220 33.755 1.00 16.98 C ATOM 223 C GLY A 26 147.359 24.819 33.821 1.00 17.26 C ATOM 224 O GLY A 26 148.583 24.668 33.885 1.00 16.66 O ATOM 0 H GLY A 26 147.834 27.826 34.228 1.00 17.50 H new ATOM 0 HA2 GLY A 26 145.839 26.191 34.004 1.00 16.98 H new ATOM 0 HA3 GLY A 26 146.817 26.543 32.841 1.00 16.98 H new ATOM 225 N ALA A 27 146.485 23.809 33.832 1.00 15.89 N ATOM 226 CA ALA A 27 146.914 22.402 33.815 1.00 15.55 C ATOM 227 C ALA A 27 147.665 22.030 32.535 1.00 15.39 C ATOM 228 O ALA A 27 147.437 22.607 31.471 1.00 14.36 O ATOM 229 CB ALA A 27 145.725 21.466 34.020 1.00 15.94 C ATOM 0 H ALA A 27 145.632 23.917 33.849 1.00 15.89 H new ATOM 0 HA ALA A 27 147.534 22.295 34.554 1.00 15.55 H new ATOM 0 HB1 ALA A 27 146.031 20.546 34.005 1.00 15.94 H new ATOM 0 HB2 ALA A 27 145.309 21.654 34.876 1.00 15.94 H new ATOM 0 HB3 ALA A 27 145.079 21.603 33.310 1.00 15.94 H new ATOM 230 N ASN A 28 148.562 21.051 32.656 1.00 16.39 N ATOM 231 CA ASN A 28 149.310 20.524 31.518 1.00 16.80 C ATOM 232 C ASN A 28 149.340 19.000 31.555 1.00 17.11 C ATOM 233 O ASN A 28 149.524 18.393 32.617 1.00 16.41 O ATOM 234 CB ASN A 28 150.742 21.085 31.483 1.00 20.36 C ATOM 235 CG ASN A 28 150.812 22.487 30.892 1.00 19.61 C ATOM 236 OD1 ASN A 28 150.524 22.704 29.706 1.00 21.38 O ATOM 237 ND2 ASN A 28 151.191 23.448 31.719 1.00 25.65 N ATOM 0 H ASN A 28 148.753 20.673 33.405 1.00 16.39 H new ATOM 0 HA ASN A 28 148.856 20.808 30.709 1.00 16.80 H new ATOM 0 HB2 ASN A 28 151.101 21.100 32.384 1.00 20.36 H new ATOM 0 HB3 ASN A 28 151.305 20.491 30.963 1.00 20.36 H new ATOM 0 HD21 ASN A 28 151.245 24.259 31.439 1.00 25.65 H new ATOM 0 HD22 ASN A 28 151.383 23.261 32.536 1.00 25.65 H new ATOM 238 N GLY A 29 149.117 18.396 30.396 1.00 15.49 N ATOM 239 CA GLY A 29 149.171 16.935 30.262 1.00 16.64 C ATOM 240 C GLY A 29 147.859 16.243 30.576 1.00 15.48 C ATOM 241 O GLY A 29 146.816 16.886 30.738 1.00 14.32 O ATOM 0 H GLY A 29 148.931 18.812 29.667 1.00 15.49 H new ATOM 0 HA2 GLY A 29 149.436 16.711 29.356 1.00 16.64 H new ATOM 0 HA3 GLY A 29 149.859 16.590 30.853 1.00 16.64 H new ATOM 242 N TYR A 30 147.909 14.914 30.647 1.00 14.62 N ATOM 243 CA TYR A 30 146.715 14.095 30.883 1.00 14.21 C ATOM 244 C TYR A 30 146.230 14.235 32.312 1.00 15.38 C ATOM 245 O TYR A 30 147.042 14.242 33.255 1.00 15.97 O ATOM 246 CB TYR A 30 147.080 12.630 30.644 1.00 14.40 C ATOM 247 CG TYR A 30 145.959 11.605 30.677 1.00 13.86 C ATOM 248 CD1 TYR A 30 145.270 11.254 29.514 1.00 14.25 C ATOM 249 CD2 TYR A 30 145.671 10.898 31.850 1.00 14.26 C ATOM 250 CE1 TYR A 30 144.280 10.271 29.531 1.00 14.21 C ATOM 251 CE2 TYR A 30 144.686 9.916 31.880 1.00 13.95 C ATOM 252 CZ TYR A 30 144.007 9.593 30.720 1.00 15.47 C ATOM 253 OH TYR A 30 143.050 8.600 30.750 1.00 15.82 O ATOM 0 H TYR A 30 148.634 14.460 30.560 1.00 14.62 H new ATOM 0 HA TYR A 30 146.012 14.390 30.283 1.00 14.21 H new ATOM 0 HB2 TYR A 30 147.514 12.569 29.779 1.00 14.40 H new ATOM 0 HB3 TYR A 30 147.737 12.374 31.310 1.00 14.40 H new ATOM 0 HD1 TYR A 30 145.475 11.683 28.715 1.00 14.25 H new ATOM 0 HD2 TYR A 30 146.148 11.089 32.625 1.00 14.26 H new ATOM 0 HE1 TYR A 30 143.806 10.069 28.757 1.00 14.21 H new ATOM 0 HE2 TYR A 30 144.485 9.479 32.676 1.00 13.95 H new ATOM 0 HH TYR A 30 143.016 8.221 30.001 1.00 15.82 H new ATOM 254 N LYS A 31 144.913 14.335 32.468 1.00 15.75 N ATOM 255 CA LYS A 31 144.275 14.281 33.777 1.00 17.73 C ATOM 256 C LYS A 31 142.861 13.731 33.697 1.00 16.56 C ATOM 257 O LYS A 31 142.092 14.100 32.810 1.00 16.54 O ATOM 258 CB LYS A 31 144.250 15.665 34.446 1.00 18.66 C ATOM 259 CG LYS A 31 144.111 15.600 35.965 1.00 24.21 C ATOM 260 CD LYS A 31 143.966 16.986 36.590 1.00 28.26 C ATOM 261 CE LYS A 31 145.172 17.868 36.310 1.00 29.77 C ATOM 262 NZ LYS A 31 146.331 17.504 37.172 1.00 34.92 N ATOM 0 H LYS A 31 144.363 14.436 31.814 1.00 15.75 H new ATOM 0 HA LYS A 31 144.809 13.678 34.318 1.00 17.73 H new ATOM 0 HB2 LYS A 31 145.066 16.140 34.222 1.00 18.66 H new ATOM 0 HB3 LYS A 31 143.513 16.180 34.082 1.00 18.66 H new ATOM 0 HG2 LYS A 31 143.338 15.061 36.195 1.00 24.21 H new ATOM 0 HG3 LYS A 31 144.888 15.157 36.341 1.00 24.21 H new ATOM 0 HD2 LYS A 31 143.167 17.413 36.244 1.00 28.26 H new ATOM 0 HD3 LYS A 31 143.848 16.897 37.549 1.00 28.26 H new ATOM 0 HE2 LYS A 31 145.424 17.786 35.377 1.00 29.77 H new ATOM 0 HE3 LYS A 31 144.936 18.797 36.460 1.00 29.77 H new ATOM 0 HZ1 LYS A 31 146.895 18.191 37.218 1.00 34.92 H new ATOM 0 HZ2 LYS A 31 146.042 17.303 37.989 1.00 34.92 H new ATOM 0 HZ3 LYS A 31 146.750 16.800 36.825 1.00 34.92 H new ATOM 263 N ILE A 32 142.521 12.863 34.646 1.00 15.94 N ATOM 264 CA ILE A 32 141.139 12.441 34.846 1.00 15.79 C ATOM 265 C ILE A 32 140.521 13.334 35.926 1.00 16.70 C ATOM 266 O ILE A 32 141.034 13.412 37.046 1.00 17.44 O ATOM 267 CB ILE A 32 141.037 10.953 35.255 1.00 16.03 C ATOM 268 CG1 ILE A 32 141.850 10.077 34.292 1.00 17.04 C ATOM 269 CG2 ILE A 32 139.573 10.512 35.301 1.00 16.86 C ATOM 270 CD1 ILE A 32 141.933 8.615 34.697 1.00 19.55 C ATOM 0 H ILE A 32 143.083 12.504 35.189 1.00 15.94 H new ATOM 0 HA ILE A 32 140.658 12.531 34.008 1.00 15.79 H new ATOM 0 HB ILE A 32 141.410 10.847 36.144 1.00 16.03 H new ATOM 0 HG12 ILE A 32 141.456 10.135 33.408 1.00 17.04 H new ATOM 0 HG13 ILE A 32 142.749 10.435 34.226 1.00 17.04 H new ATOM 0 HG21 ILE A 32 139.524 9.578 35.558 1.00 16.86 H new ATOM 0 HG22 ILE A 32 139.093 11.051 35.949 1.00 16.86 H new ATOM 0 HG23 ILE A 32 139.173 10.627 34.425 1.00 16.86 H new ATOM 0 HD11 ILE A 32 142.459 8.128 34.044 1.00 19.55 H new ATOM 0 HD12 ILE A 32 142.353 8.544 35.569 1.00 19.55 H new ATOM 0 HD13 ILE A 32 141.040 8.239 34.737 1.00 19.55 H new ATOM 271 N ILE A 33 139.443 14.025 35.572 1.00 17.88 N ATOM 272 CA ILE A 33 138.753 14.927 36.502 1.00 18.83 C ATOM 273 C ILE A 33 137.278 14.552 36.507 1.00 19.66 C ATOM 274 O ILE A 33 136.615 14.595 35.463 1.00 21.33 O ATOM 275 CB ILE A 33 138.919 16.424 36.124 1.00 18.13 C ATOM 276 CG1 ILE A 33 140.394 16.796 35.941 1.00 19.27 C ATOM 277 CG2 ILE A 33 138.288 17.315 37.194 1.00 18.67 C ATOM 278 CD1 ILE A 33 140.635 18.098 35.198 1.00 17.96 C ATOM 0 H ILE A 33 139.088 13.988 34.789 1.00 17.88 H new ATOM 0 HA ILE A 33 139.148 14.823 37.382 1.00 18.83 H new ATOM 0 HB ILE A 33 138.465 16.566 35.279 1.00 18.13 H new ATOM 0 HG12 ILE A 33 140.810 16.855 36.815 1.00 19.27 H new ATOM 0 HG13 ILE A 33 140.839 16.078 35.463 1.00 19.27 H new ATOM 0 HG21 ILE A 33 138.398 18.246 36.946 1.00 18.67 H new ATOM 0 HG22 ILE A 33 137.343 17.111 37.269 1.00 18.67 H new ATOM 0 HG23 ILE A 33 138.722 17.154 38.046 1.00 18.67 H new ATOM 0 HD11 ILE A 33 141.589 18.258 35.126 1.00 17.96 H new ATOM 0 HD12 ILE A 33 140.249 18.040 34.310 1.00 17.96 H new ATOM 0 HD13 ILE A 33 140.221 18.829 35.683 1.00 17.96 H new ATOM 279 N ASP A 34 136.771 14.185 37.686 1.00 22.31 N ATOM 280 CA ASP A 34 135.394 13.694 37.847 1.00 23.38 C ATOM 281 C ASP A 34 135.041 12.626 36.800 1.00 22.53 C ATOM 282 O ASP A 34 134.009 12.706 36.123 1.00 21.32 O ATOM 283 CB ASP A 34 134.387 14.856 37.826 1.00 27.51 C ATOM 284 CG ASP A 34 132.985 14.435 38.263 1.00 32.96 C ATOM 285 OD1 ASP A 34 132.858 13.539 39.128 1.00 35.62 O ATOM 286 OD2 ASP A 34 132.006 15.005 37.734 1.00 39.01 O ATOM 0 H ASP A 34 137.217 14.213 38.421 1.00 22.31 H new ATOM 0 HA ASP A 34 135.338 13.268 38.716 1.00 23.38 H new ATOM 0 HB2 ASP A 34 134.704 15.563 38.409 1.00 27.51 H new ATOM 0 HB3 ASP A 34 134.344 15.225 36.930 1.00 27.51 H new ATOM 287 N ASN A 35 135.934 11.647 36.661 1.00 21.98 N ATOM 288 CA ASN A 35 135.753 10.522 35.739 1.00 24.03 C ATOM 289 C ASN A 35 135.566 10.934 34.270 1.00 23.50 C ATOM 290 O ASN A 35 134.831 10.295 33.517 1.00 24.40 O ATOM 291 CB ASN A 35 134.609 9.602 36.213 1.00 26.53 C ATOM 292 CG ASN A 35 134.636 8.243 35.540 1.00 28.37 C ATOM 293 OD1 ASN A 35 135.673 7.812 35.029 1.00 30.09 O ATOM 294 ND2 ASN A 35 133.493 7.562 35.526 1.00 32.53 N ATOM 0 H ASN A 35 136.671 11.616 37.104 1.00 21.98 H new ATOM 0 HA ASN A 35 136.587 10.027 35.761 1.00 24.03 H new ATOM 0 HB2 ASN A 35 134.670 9.484 37.174 1.00 26.53 H new ATOM 0 HB3 ASN A 35 133.758 10.031 36.033 1.00 26.53 H new ATOM 0 HD21 ASN A 35 133.457 6.789 35.150 1.00 32.53 H new ATOM 0 HD22 ASN A 35 132.790 7.895 35.893 1.00 32.53 H new ATOM 295 N LYS A 36 136.227 12.018 33.877 1.00 19.78 N ATOM 296 CA LYS A 36 136.292 12.424 32.468 1.00 19.98 C ATOM 297 C LYS A 36 137.768 12.665 32.142 1.00 18.33 C ATOM 298 O LYS A 36 138.478 13.284 32.937 1.00 16.69 O ATOM 299 CB LYS A 36 135.455 13.685 32.233 1.00 20.51 C ATOM 300 CG LYS A 36 133.987 13.553 32.630 1.00 22.53 C ATOM 301 CD LYS A 36 133.231 14.861 32.469 1.00 26.01 C ATOM 302 CE LYS A 36 131.864 14.778 33.139 1.00 28.03 C ATOM 303 NZ LYS A 36 131.005 15.952 32.820 1.00 34.57 N ATOM 0 H LYS A 36 136.650 12.540 34.414 1.00 19.78 H new ATOM 0 HA LYS A 36 135.927 11.737 31.889 1.00 19.98 H new ATOM 0 HB2 LYS A 36 135.848 14.418 32.731 1.00 20.51 H new ATOM 0 HB3 LYS A 36 135.504 13.922 31.294 1.00 20.51 H new ATOM 0 HG2 LYS A 36 133.566 12.869 32.086 1.00 22.53 H new ATOM 0 HG3 LYS A 36 133.928 13.258 33.552 1.00 22.53 H new ATOM 0 HD2 LYS A 36 133.744 15.587 32.858 1.00 26.01 H new ATOM 0 HD3 LYS A 36 133.123 15.064 31.527 1.00 26.01 H new ATOM 0 HE2 LYS A 36 131.416 13.966 32.855 1.00 28.03 H new ATOM 0 HE3 LYS A 36 131.980 14.717 34.100 1.00 28.03 H new ATOM 0 HZ1 LYS A 36 130.311 15.972 33.377 1.00 34.57 H new ATOM 0 HZ2 LYS A 36 131.479 16.700 32.910 1.00 34.57 H new ATOM 0 HZ3 LYS A 36 130.711 15.886 31.983 1.00 34.57 H new ATOM 304 N ASN A 37 138.241 12.127 31.010 1.00 16.49 N ATOM 305 CA ASN A 37 139.661 12.205 30.656 1.00 15.29 C ATOM 306 C ASN A 37 139.952 13.358 29.691 1.00 13.86 C ATOM 307 O ASN A 37 139.295 13.482 28.657 1.00 15.53 O ATOM 308 CB ASN A 37 140.164 10.907 29.992 1.00 15.57 C ATOM 309 CG ASN A 37 139.751 9.633 30.724 1.00 15.86 C ATOM 310 OD1 ASN A 37 139.389 9.643 31.901 1.00 15.64 O ATOM 311 ND2 ASN A 37 139.837 8.515 30.014 1.00 15.38 N ATOM 0 H ASN A 37 137.754 11.713 30.435 1.00 16.49 H new ATOM 0 HA ASN A 37 140.125 12.350 31.495 1.00 15.29 H new ATOM 0 HB2 ASN A 37 139.829 10.869 29.083 1.00 15.57 H new ATOM 0 HB3 ASN A 37 141.132 10.937 29.936 1.00 15.57 H new ATOM 0 HD21 ASN A 37 139.636 7.760 30.374 1.00 15.38 H new ATOM 0 HD22 ASN A 37 140.094 8.545 29.194 1.00 15.38 H new ATOM 312 N PHE A 38 140.954 14.172 30.027 1.00 14.24 N ATOM 313 CA PHE A 38 141.369 15.324 29.211 1.00 13.68 C ATOM 314 C PHE A 38 142.881 15.337 29.007 1.00 13.62 C ATOM 315 O PHE A 38 143.626 14.737 29.779 1.00 13.52 O ATOM 316 CB PHE A 38 140.980 16.636 29.903 1.00 13.45 C ATOM 317 CG PHE A 38 139.512 16.784 30.138 1.00 14.14 C ATOM 318 CD1 PHE A 38 138.684 17.290 29.146 1.00 15.54 C ATOM 319 CD2 PHE A 38 138.953 16.399 31.353 1.00 14.87 C ATOM 320 CE1 PHE A 38 137.318 17.430 29.360 1.00 15.35 C ATOM 321 CE2 PHE A 38 137.587 16.530 31.573 1.00 15.79 C ATOM 322 CZ PHE A 38 136.772 17.041 30.577 1.00 15.64 C ATOM 0 H PHE A 38 141.419 14.072 30.743 1.00 14.24 H new ATOM 0 HA PHE A 38 140.922 15.244 28.354 1.00 13.68 H new ATOM 0 HB2 PHE A 38 141.442 16.692 30.754 1.00 13.45 H new ATOM 0 HB3 PHE A 38 141.289 17.380 29.363 1.00 13.45 H new ATOM 0 HD1 PHE A 38 139.048 17.539 28.327 1.00 15.54 H new ATOM 0 HD2 PHE A 38 139.497 16.052 32.022 1.00 14.87 H new ATOM 0 HE1 PHE A 38 136.773 17.782 28.693 1.00 15.35 H new ATOM 0 HE2 PHE A 38 137.221 16.275 32.389 1.00 15.79 H new ATOM 0 HZ PHE A 38 135.857 17.124 30.723 1.00 15.64 H new ATOM 323 N TYR A 39 143.323 16.046 27.974 1.00 13.99 N ATOM 324 CA TYR A 39 144.743 16.227 27.711 1.00 13.79 C ATOM 325 C TYR A 39 144.982 17.721 27.546 1.00 14.81 C ATOM 326 O TYR A 39 144.573 18.321 26.553 1.00 13.30 O ATOM 327 CB TYR A 39 145.167 15.437 26.461 1.00 14.51 C ATOM 328 CG TYR A 39 146.669 15.407 26.263 1.00 15.50 C ATOM 329 CD1 TYR A 39 147.444 14.404 26.840 1.00 17.44 C ATOM 330 CD2 TYR A 39 147.311 16.383 25.503 1.00 17.95 C ATOM 331 CE1 TYR A 39 148.821 14.373 26.670 1.00 19.65 C ATOM 332 CE2 TYR A 39 148.690 16.362 25.323 1.00 20.28 C ATOM 333 CZ TYR A 39 149.439 15.356 25.907 1.00 21.16 C ATOM 334 OH TYR A 39 150.809 15.334 25.728 1.00 24.79 O ATOM 0 H TYR A 39 142.807 16.435 27.407 1.00 13.99 H new ATOM 0 HA TYR A 39 145.280 15.887 28.444 1.00 13.79 H new ATOM 0 HB2 TYR A 39 144.837 14.528 26.531 1.00 14.51 H new ATOM 0 HB3 TYR A 39 144.750 15.831 25.679 1.00 14.51 H new ATOM 0 HD1 TYR A 39 147.031 13.743 27.348 1.00 17.44 H new ATOM 0 HD2 TYR A 39 146.809 17.060 25.110 1.00 17.95 H new ATOM 0 HE1 TYR A 39 149.326 13.699 27.064 1.00 19.65 H new ATOM 0 HE2 TYR A 39 149.106 17.020 24.814 1.00 20.28 H new ATOM 0 HH TYR A 39 151.092 16.119 25.632 1.00 24.79 H new ATOM 335 N PHE A 40 145.630 18.319 28.546 1.00 14.47 N ATOM 336 CA PHE A 40 145.702 19.778 28.656 1.00 14.63 C ATOM 337 C PHE A 40 146.964 20.402 28.078 1.00 15.58 C ATOM 338 O PHE A 40 148.052 19.839 28.173 1.00 16.26 O ATOM 339 CB PHE A 40 145.633 20.184 30.130 1.00 14.65 C ATOM 340 CG PHE A 40 144.297 19.961 30.770 1.00 13.90 C ATOM 341 CD1 PHE A 40 143.243 20.852 30.561 1.00 14.04 C ATOM 342 CD2 PHE A 40 144.096 18.880 31.624 1.00 14.90 C ATOM 343 CE1 PHE A 40 142.008 20.646 31.170 1.00 12.86 C ATOM 344 CE2 PHE A 40 142.868 18.671 32.235 1.00 14.63 C ATOM 345 CZ PHE A 40 141.824 19.567 32.022 1.00 13.33 C ATOM 0 H PHE A 40 146.037 17.896 29.174 1.00 14.47 H new ATOM 0 HA PHE A 40 144.951 20.106 28.137 1.00 14.63 H new ATOM 0 HB2 PHE A 40 146.303 19.686 30.623 1.00 14.65 H new ATOM 0 HB3 PHE A 40 145.864 21.123 30.207 1.00 14.65 H new ATOM 0 HD1 PHE A 40 143.367 21.591 30.010 1.00 14.04 H new ATOM 0 HD2 PHE A 40 144.795 18.289 31.787 1.00 14.90 H new ATOM 0 HE1 PHE A 40 141.305 21.233 31.005 1.00 12.86 H new ATOM 0 HE2 PHE A 40 142.742 17.933 32.787 1.00 14.63 H new ATOM 0 HZ PHE A 40 141.007 19.443 32.449 1.00 13.33 H new ATOM 346 N ARG A 41 146.806 21.597 27.527 1.00 16.57 N ATOM 347 CA ARG A 41 147.938 22.481 27.268 1.00 16.88 C ATOM 348 C ARG A 41 147.575 23.859 27.807 1.00 17.33 C ATOM 349 O ARG A 41 146.603 24.474 27.352 1.00 16.87 O ATOM 350 CB ARG A 41 148.245 22.527 25.774 1.00 20.88 C ATOM 351 CG ARG A 41 149.301 23.539 25.344 1.00 29.12 C ATOM 352 CD ARG A 41 150.711 23.126 25.738 1.00 35.41 C ATOM 353 NE ARG A 41 151.685 23.459 24.697 1.00 44.82 N ATOM 354 CZ ARG A 41 152.144 24.683 24.437 1.00 45.02 C ATOM 355 NH1 ARG A 41 151.722 25.730 25.137 1.00 46.73 N ATOM 356 NH2 ARG A 41 153.028 24.860 23.464 1.00 48.43 N ATOM 0 H ARG A 41 146.044 21.919 27.293 1.00 16.57 H new ATOM 0 HA ARG A 41 148.739 22.157 27.709 1.00 16.88 H new ATOM 0 HB2 ARG A 41 148.534 21.645 25.493 1.00 20.88 H new ATOM 0 HB3 ARG A 41 147.422 22.721 25.298 1.00 20.88 H new ATOM 0 HG2 ARG A 41 149.259 23.654 24.382 1.00 29.12 H new ATOM 0 HG3 ARG A 41 149.098 24.400 25.742 1.00 29.12 H new ATOM 0 HD2 ARG A 41 150.958 23.567 26.566 1.00 35.41 H new ATOM 0 HD3 ARG A 41 150.733 22.171 25.908 1.00 35.41 H new ATOM 0 HE ARG A 41 151.985 22.813 24.215 1.00 44.82 H new ATOM 0 HH11 ARG A 41 151.146 25.622 25.766 1.00 46.73 H new ATOM 0 HH12 ARG A 41 152.025 26.515 24.961 1.00 46.73 H new ATOM 0 HH21 ARG A 41 153.302 24.187 23.004 1.00 48.43 H new ATOM 0 HH22 ARG A 41 153.327 25.648 23.293 1.00 48.43 H new ATOM 357 N ASN A 42 148.345 24.323 28.787 1.00 17.65 N ATOM 358 CA ASN A 42 148.083 25.609 29.453 1.00 18.92 C ATOM 359 C ASN A 42 146.610 25.800 29.839 1.00 16.39 C ATOM 360 O ASN A 42 146.003 26.847 29.558 1.00 15.82 O ATOM 361 CB ASN A 42 148.587 26.771 28.587 1.00 22.27 C ATOM 362 CG ASN A 42 150.087 26.724 28.364 1.00 26.24 C ATOM 363 OD1 ASN A 42 150.570 27.035 27.276 1.00 33.04 O ATOM 364 ND2 ASN A 42 150.831 26.326 29.390 1.00 27.77 N ATOM 0 H ASN A 42 149.034 23.906 29.088 1.00 17.65 H new ATOM 0 HA ASN A 42 148.577 25.600 30.288 1.00 18.92 H new ATOM 0 HB2 ASN A 42 148.135 26.750 27.729 1.00 22.27 H new ATOM 0 HB3 ASN A 42 148.353 27.611 29.011 1.00 22.27 H new ATOM 0 HD21 ASN A 42 151.686 26.278 29.308 1.00 27.77 H new ATOM 0 HD22 ASN A 42 150.458 26.116 30.136 1.00 27.77 H new ATOM 365 N GLY A 43 146.038 24.776 30.473 1.00 15.56 N ATOM 366 CA GLY A 43 144.654 24.839 30.975 1.00 13.99 C ATOM 367 C GLY A 43 143.551 24.444 30.002 1.00 12.99 C ATOM 368 O GLY A 43 142.434 24.156 30.425 1.00 13.20 O ATOM 0 H GLY A 43 146.434 24.028 30.626 1.00 15.56 H new ATOM 0 HA2 GLY A 43 144.589 24.265 31.755 1.00 13.99 H new ATOM 0 HA3 GLY A 43 144.482 25.745 31.275 1.00 13.99 H new ATOM 369 N LEU A 44 143.864 24.405 28.710 1.00 12.96 N ATOM 370 CA LEU A 44 142.860 24.147 27.668 1.00 13.10 C ATOM 371 C LEU A 44 142.893 22.688 27.215 1.00 13.41 C ATOM 372 O LEU A 44 143.946 22.205 26.792 1.00 13.67 O ATOM 373 CB LEU A 44 143.099 25.076 26.466 1.00 14.09 C ATOM 374 CG LEU A 44 142.082 25.071 25.317 1.00 15.61 C ATOM 375 CD1 LEU A 44 140.733 25.594 25.798 1.00 15.68 C ATOM 376 CD2 LEU A 44 142.599 25.916 24.159 1.00 16.09 C ATOM 0 H LEU A 44 144.660 24.526 28.409 1.00 12.96 H new ATOM 0 HA LEU A 44 141.984 24.325 28.044 1.00 13.10 H new ATOM 0 HB2 LEU A 44 143.158 25.984 26.803 1.00 14.09 H new ATOM 0 HB3 LEU A 44 143.966 24.856 26.092 1.00 14.09 H new ATOM 0 HG LEU A 44 141.963 24.159 25.009 1.00 15.61 H new ATOM 0 HD11 LEU A 44 140.101 25.585 25.062 1.00 15.68 H new ATOM 0 HD12 LEU A 44 140.403 25.029 26.514 1.00 15.68 H new ATOM 0 HD13 LEU A 44 140.835 26.502 26.125 1.00 15.68 H new ATOM 0 HD21 LEU A 44 141.951 25.908 23.437 1.00 16.09 H new ATOM 0 HD22 LEU A 44 142.736 26.828 24.460 1.00 16.09 H new ATOM 0 HD23 LEU A 44 143.440 25.551 23.842 1.00 16.09 H new ATOM 377 N PRO A 45 141.749 21.977 27.319 1.00 13.32 N ATOM 378 CA PRO A 45 141.657 20.630 26.753 1.00 13.59 C ATOM 379 C PRO A 45 141.976 20.639 25.254 1.00 14.38 C ATOM 380 O PRO A 45 141.417 21.443 24.492 1.00 14.59 O ATOM 381 CB PRO A 45 140.190 20.247 26.991 1.00 13.21 C ATOM 382 CG PRO A 45 139.790 21.038 28.206 1.00 13.77 C ATOM 383 CD PRO A 45 140.525 22.350 28.054 1.00 12.87 C ATOM 0 HA PRO A 45 142.286 20.009 27.154 1.00 13.59 H new ATOM 0 HB2 PRO A 45 139.637 20.471 26.226 1.00 13.21 H new ATOM 0 HB3 PRO A 45 140.093 19.294 27.142 1.00 13.21 H new ATOM 0 HG2 PRO A 45 138.830 21.172 28.241 1.00 13.77 H new ATOM 0 HG3 PRO A 45 140.043 20.583 29.024 1.00 13.77 H new ATOM 0 HD2 PRO A 45 139.998 23.000 27.563 1.00 12.87 H new ATOM 0 HD3 PRO A 45 140.732 22.745 28.915 1.00 12.87 H new ATOM 384 N GLN A 46 142.891 19.768 24.842 1.00 13.49 N ATOM 385 CA GLN A 46 143.231 19.631 23.432 1.00 15.09 C ATOM 386 C GLN A 46 142.268 18.653 22.775 1.00 14.61 C ATOM 387 O GLN A 46 141.738 17.758 23.439 1.00 15.21 O ATOM 388 CB GLN A 46 144.682 19.153 23.279 1.00 14.87 C ATOM 389 CG GLN A 46 145.706 20.062 23.966 1.00 17.40 C ATOM 390 CD GLN A 46 145.676 21.479 23.424 1.00 20.42 C ATOM 391 OE1 GLN A 46 145.182 22.414 24.081 1.00 21.49 O ATOM 392 NE2 GLN A 46 146.178 21.647 22.208 1.00 18.68 N ATOM 0 H GLN A 46 143.328 19.245 25.366 1.00 13.49 H new ATOM 0 HA GLN A 46 143.152 20.493 22.995 1.00 15.09 H new ATOM 0 HB2 GLN A 46 144.759 18.258 23.645 1.00 14.87 H new ATOM 0 HB3 GLN A 46 144.897 19.093 22.335 1.00 14.87 H new ATOM 0 HG2 GLN A 46 145.531 20.079 24.920 1.00 17.40 H new ATOM 0 HG3 GLN A 46 146.595 19.692 23.847 1.00 17.40 H new ATOM 0 HE21 GLN A 46 146.511 20.977 21.784 1.00 18.68 H new ATOM 0 HE22 GLN A 46 146.170 22.426 21.843 1.00 18.68 H new ATOM 393 N ILE A 47 142.036 18.835 21.478 1.00 14.31 N ATOM 394 CA ILE A 47 141.111 17.984 20.735 1.00 14.03 C ATOM 395 C ILE A 47 141.897 17.228 19.665 1.00 14.47 C ATOM 396 O ILE A 47 142.603 17.835 18.864 1.00 15.32 O ATOM 397 CB ILE A 47 139.952 18.814 20.123 1.00 15.48 C ATOM 398 CG1 ILE A 47 139.245 19.604 21.240 1.00 16.44 C ATOM 399 CG2 ILE A 47 138.970 17.916 19.369 1.00 16.72 C ATOM 400 CD1 ILE A 47 138.244 20.630 20.758 1.00 18.62 C ATOM 0 H ILE A 47 142.407 19.451 21.007 1.00 14.31 H new ATOM 0 HA ILE A 47 140.699 17.344 21.337 1.00 14.03 H new ATOM 0 HB ILE A 47 140.316 19.441 19.478 1.00 15.48 H new ATOM 0 HG12 ILE A 47 138.790 18.977 21.824 1.00 16.44 H new ATOM 0 HG13 ILE A 47 139.917 20.054 21.776 1.00 16.44 H new ATOM 0 HG21 ILE A 47 138.256 18.457 18.997 1.00 16.72 H new ATOM 0 HG22 ILE A 47 139.435 17.458 18.652 1.00 16.72 H new ATOM 0 HG23 ILE A 47 138.594 17.263 19.980 1.00 16.72 H new ATOM 0 HD11 ILE A 47 137.848 21.079 21.521 1.00 18.62 H new ATOM 0 HD12 ILE A 47 138.693 21.282 20.197 1.00 18.62 H new ATOM 0 HD13 ILE A 47 137.548 20.188 20.246 1.00 18.62 H new ATOM 401 N GLY A 48 141.794 15.899 19.684 1.00 13.65 N ATOM 402 CA GLY A 48 142.568 15.041 18.775 1.00 14.23 C ATOM 403 C GLY A 48 142.976 13.746 19.450 1.00 13.81 C ATOM 404 O GLY A 48 142.403 13.376 20.472 1.00 13.83 O ATOM 0 H GLY A 48 141.277 15.468 20.220 1.00 13.65 H new ATOM 0 HA2 GLY A 48 142.040 14.844 17.986 1.00 14.23 H new ATOM 0 HA3 GLY A 48 143.360 15.515 18.476 1.00 14.23 H new ATOM 405 N VAL A 49 143.980 13.072 18.893 1.00 13.62 N ATOM 406 CA VAL A 49 144.453 11.792 19.431 1.00 13.34 C ATOM 407 C VAL A 49 145.783 12.011 20.139 1.00 13.28 C ATOM 408 O VAL A 49 146.779 12.344 19.500 1.00 14.74 O ATOM 409 CB VAL A 49 144.615 10.733 18.312 1.00 13.08 C ATOM 410 CG1 VAL A 49 145.107 9.420 18.903 1.00 13.18 C ATOM 411 CG2 VAL A 49 143.293 10.506 17.578 1.00 13.65 C ATOM 0 H VAL A 49 144.406 13.340 18.196 1.00 13.62 H new ATOM 0 HA VAL A 49 143.794 11.457 20.059 1.00 13.34 H new ATOM 0 HB VAL A 49 145.267 11.064 17.675 1.00 13.08 H new ATOM 0 HG11 VAL A 49 145.205 8.763 18.196 1.00 13.18 H new ATOM 0 HG12 VAL A 49 145.964 9.560 19.335 1.00 13.18 H new ATOM 0 HG13 VAL A 49 144.465 9.098 19.555 1.00 13.18 H new ATOM 0 HG21 VAL A 49 143.418 9.841 16.883 1.00 13.65 H new ATOM 0 HG22 VAL A 49 142.623 10.194 18.206 1.00 13.65 H new ATOM 0 HG23 VAL A 49 142.998 11.339 17.178 1.00 13.65 H new ATOM 412 N PHE A 50 145.807 11.823 21.459 1.00 12.68 N ATOM 413 CA PHE A 50 147.023 12.075 22.241 1.00 13.37 C ATOM 414 C PHE A 50 147.356 10.931 23.174 1.00 13.01 C ATOM 415 O PHE A 50 146.455 10.222 23.633 1.00 14.47 O ATOM 416 CB PHE A 50 146.886 13.383 23.044 1.00 13.72 C ATOM 417 CG PHE A 50 146.561 14.576 22.195 1.00 13.91 C ATOM 418 CD1 PHE A 50 147.566 15.228 21.487 1.00 16.74 C ATOM 419 CD2 PHE A 50 145.250 15.040 22.085 1.00 14.75 C ATOM 420 CE1 PHE A 50 147.266 16.321 20.687 1.00 18.16 C ATOM 421 CE2 PHE A 50 144.950 16.138 21.291 1.00 15.80 C ATOM 422 CZ PHE A 50 145.958 16.776 20.593 1.00 16.52 C ATOM 0 H PHE A 50 145.134 11.551 21.921 1.00 12.68 H new ATOM 0 HA PHE A 50 147.753 12.158 21.608 1.00 13.37 H new ATOM 0 HB2 PHE A 50 146.192 13.272 23.713 1.00 13.72 H new ATOM 0 HB3 PHE A 50 147.714 13.550 23.520 1.00 13.72 H new ATOM 0 HD1 PHE A 50 148.444 14.929 21.551 1.00 16.74 H new ATOM 0 HD2 PHE A 50 144.569 14.609 22.549 1.00 14.75 H new ATOM 0 HE1 PHE A 50 147.942 16.749 20.213 1.00 18.16 H new ATOM 0 HE2 PHE A 50 144.074 16.443 21.229 1.00 15.80 H new ATOM 0 HZ PHE A 50 145.760 17.511 20.059 1.00 16.52 H new ATOM 423 N LYS A 51 148.643 10.781 23.478 1.00 13.72 N ATOM 424 CA LYS A 51 149.098 9.675 24.320 1.00 14.40 C ATOM 425 C LYS A 51 148.954 9.953 25.806 1.00 14.99 C ATOM 426 O LYS A 51 149.677 10.785 26.364 1.00 16.23 O ATOM 427 CB LYS A 51 150.539 9.283 23.997 1.00 16.23 C ATOM 428 CG LYS A 51 150.947 7.956 24.627 1.00 17.62 C ATOM 429 CD LYS A 51 152.344 7.536 24.215 1.00 21.21 C ATOM 430 CE LYS A 51 152.578 6.074 24.572 1.00 23.41 C ATOM 431 NZ LYS A 51 154.008 5.691 24.387 1.00 25.33 N ATOM 0 H LYS A 51 149.268 11.307 23.208 1.00 13.72 H new ATOM 0 HA LYS A 51 148.512 8.931 24.111 1.00 14.40 H new ATOM 0 HB2 LYS A 51 150.646 9.226 23.035 1.00 16.23 H new ATOM 0 HB3 LYS A 51 151.137 9.981 24.308 1.00 16.23 H new ATOM 0 HG2 LYS A 51 150.905 8.031 25.593 1.00 17.62 H new ATOM 0 HG3 LYS A 51 150.314 7.268 24.368 1.00 17.62 H new ATOM 0 HD2 LYS A 51 152.460 7.666 23.261 1.00 21.21 H new ATOM 0 HD3 LYS A 51 153.001 8.094 24.659 1.00 21.21 H new ATOM 0 HE2 LYS A 51 152.316 5.918 25.493 1.00 23.41 H new ATOM 0 HE3 LYS A 51 152.016 5.510 24.018 1.00 23.41 H new ATOM 0 HZ1 LYS A 51 154.253 5.135 25.037 1.00 25.33 H new ATOM 0 HZ2 LYS A 51 154.108 5.289 23.599 1.00 25.33 H new ATOM 0 HZ3 LYS A 51 154.517 6.421 24.414 1.00 25.33 H new ATOM 432 N GLY A 52 148.031 9.231 26.437 1.00 14.67 N ATOM 433 CA GLY A 52 147.882 9.255 27.891 1.00 15.38 C ATOM 434 C GLY A 52 148.673 8.120 28.533 1.00 14.80 C ATOM 435 O GLY A 52 149.390 7.391 27.838 1.00 14.20 O ATOM 0 H GLY A 52 147.474 8.714 26.035 1.00 14.67 H new ATOM 0 HA2 GLY A 52 148.190 10.107 28.238 1.00 15.38 H new ATOM 0 HA3 GLY A 52 146.944 9.175 28.126 1.00 15.38 H new ATOM 436 N PRO A 53 148.556 7.966 29.868 1.00 14.68 N ATOM 437 CA PRO A 53 149.308 6.955 30.624 1.00 14.91 C ATOM 438 C PRO A 53 148.855 5.506 30.395 1.00 15.27 C ATOM 439 O PRO A 53 149.466 4.585 30.952 1.00 15.16 O ATOM 440 CB PRO A 53 149.089 7.369 32.087 1.00 14.83 C ATOM 441 CG PRO A 53 147.783 8.087 32.078 1.00 15.04 C ATOM 442 CD PRO A 53 147.770 8.834 30.762 1.00 14.16 C ATOM 0 HA PRO A 53 150.236 6.942 30.342 1.00 14.91 H new ATOM 0 HB2 PRO A 53 149.064 6.596 32.673 1.00 14.83 H new ATOM 0 HB3 PRO A 53 149.805 7.942 32.403 1.00 14.83 H new ATOM 0 HG2 PRO A 53 147.039 7.468 32.140 1.00 15.04 H new ATOM 0 HG3 PRO A 53 147.709 8.695 32.830 1.00 15.04 H new ATOM 0 HD2 PRO A 53 146.867 8.962 30.433 1.00 14.16 H new ATOM 0 HD3 PRO A 53 148.168 9.714 30.847 1.00 14.16 H new ATOM 443 N ASN A 54 147.815 5.307 29.583 1.00 14.21 N ATOM 444 CA ASN A 54 147.428 3.958 29.141 1.00 14.43 C ATOM 445 C ASN A 54 147.200 3.897 27.622 1.00 14.81 C ATOM 446 O ASN A 54 146.395 3.100 27.142 1.00 15.80 O ATOM 447 CB ASN A 54 146.192 3.465 29.916 1.00 14.12 C ATOM 448 CG ASN A 54 145.970 1.958 29.801 1.00 15.92 C ATOM 449 OD1 ASN A 54 144.901 1.514 29.375 1.00 16.71 O ATOM 450 ND2 ASN A 54 146.967 1.168 30.198 1.00 16.46 N ATOM 0 H ASN A 54 147.318 5.938 29.275 1.00 14.21 H new ATOM 0 HA ASN A 54 148.166 3.360 29.339 1.00 14.43 H new ATOM 0 HB2 ASN A 54 146.289 3.701 30.852 1.00 14.12 H new ATOM 0 HB3 ASN A 54 145.406 3.928 29.587 1.00 14.12 H new ATOM 0 HD21 ASN A 54 146.879 0.313 30.163 1.00 16.46 H new ATOM 0 HD22 ASN A 54 147.699 1.513 30.490 1.00 16.46 H new ATOM 451 N GLY A 55 147.904 4.752 26.872 1.00 13.03 N ATOM 452 CA GLY A 55 147.830 4.731 25.403 1.00 13.67 C ATOM 453 C GLY A 55 147.131 5.934 24.789 1.00 14.50 C ATOM 454 O GLY A 55 146.715 6.857 25.501 1.00 14.50 O ATOM 0 H GLY A 55 148.430 5.352 27.193 1.00 13.03 H new ATOM 0 HA2 GLY A 55 148.730 4.677 25.046 1.00 13.67 H new ATOM 0 HA3 GLY A 55 147.366 3.925 25.125 1.00 13.67 H new ATOM 455 N PHE A 56 147.018 5.919 23.464 1.00 13.89 N ATOM 456 CA PHE A 56 146.381 7.004 22.710 1.00 14.48 C ATOM 457 C PHE A 56 144.851 6.963 22.824 1.00 14.56 C ATOM 458 O PHE A 56 144.207 5.963 22.464 1.00 15.40 O ATOM 459 CB PHE A 56 146.813 6.962 21.226 1.00 13.76 C ATOM 460 CG PHE A 56 148.271 7.282 20.988 1.00 14.30 C ATOM 461 CD1 PHE A 56 149.247 6.274 21.025 1.00 14.54 C ATOM 462 CD2 PHE A 56 148.676 8.585 20.706 1.00 14.05 C ATOM 463 CE1 PHE A 56 150.588 6.571 20.794 1.00 16.17 C ATOM 464 CE2 PHE A 56 150.015 8.880 20.466 1.00 15.26 C ATOM 465 CZ PHE A 56 150.975 7.880 20.514 1.00 16.21 C ATOM 0 H PHE A 56 147.309 5.277 22.971 1.00 13.89 H new ATOM 0 HA PHE A 56 146.679 7.840 23.101 1.00 14.48 H new ATOM 0 HB2 PHE A 56 146.625 6.079 20.871 1.00 13.76 H new ATOM 0 HB3 PHE A 56 146.270 7.590 20.725 1.00 13.76 H new ATOM 0 HD1 PHE A 56 148.995 5.397 21.206 1.00 14.54 H new ATOM 0 HD2 PHE A 56 148.044 9.266 20.678 1.00 14.05 H new ATOM 0 HE1 PHE A 56 151.226 5.895 20.827 1.00 16.17 H new ATOM 0 HE2 PHE A 56 150.268 9.754 20.272 1.00 15.26 H new ATOM 0 HZ PHE A 56 151.870 8.082 20.361 1.00 16.21 H new ATOM 466 N GLU A 57 144.261 8.054 23.318 1.00 13.60 N ATOM 467 CA GLU A 57 142.803 8.176 23.385 1.00 12.19 C ATOM 468 C GLU A 57 142.297 9.223 22.386 1.00 12.54 C ATOM 469 O GLU A 57 143.070 10.084 21.949 1.00 12.78 O ATOM 470 CB GLU A 57 142.358 8.562 24.806 1.00 13.02 C ATOM 471 CG GLU A 57 142.971 7.675 25.882 1.00 13.61 C ATOM 472 CD GLU A 57 142.418 7.921 27.276 1.00 14.98 C ATOM 473 OE1 GLU A 57 143.054 7.452 28.240 1.00 15.43 O ATOM 474 OE2 GLU A 57 141.361 8.565 27.408 1.00 15.41 O ATOM 0 H GLU A 57 144.689 8.736 23.620 1.00 13.60 H new ATOM 0 HA GLU A 57 142.422 7.314 23.156 1.00 12.19 H new ATOM 0 HB2 GLU A 57 142.602 9.485 24.977 1.00 13.02 H new ATOM 0 HB3 GLU A 57 141.391 8.509 24.862 1.00 13.02 H new ATOM 0 HG2 GLU A 57 142.823 6.746 25.645 1.00 13.61 H new ATOM 0 HG3 GLU A 57 143.931 7.815 25.896 1.00 13.61 H new ATOM 475 N TYR A 58 141.014 9.143 22.028 1.00 13.13 N ATOM 476 CA TYR A 58 140.375 10.161 21.174 1.00 12.39 C ATOM 477 C TYR A 58 139.713 11.185 22.078 1.00 13.84 C ATOM 478 O TYR A 58 138.633 10.936 22.620 1.00 13.57 O ATOM 479 CB TYR A 58 139.341 9.528 20.208 1.00 13.71 C ATOM 480 CG TYR A 58 138.608 10.463 19.234 1.00 13.40 C ATOM 481 CD1 TYR A 58 139.075 11.754 18.943 1.00 13.50 C ATOM 482 CD2 TYR A 58 137.471 10.018 18.561 1.00 12.22 C ATOM 483 CE1 TYR A 58 138.398 12.575 18.033 1.00 14.69 C ATOM 484 CE2 TYR A 58 136.793 10.824 17.650 1.00 14.20 C ATOM 485 CZ TYR A 58 137.265 12.097 17.386 1.00 15.14 C ATOM 486 OH TYR A 58 136.586 12.893 16.487 1.00 17.52 O ATOM 0 H TYR A 58 140.490 8.505 22.268 1.00 13.13 H new ATOM 0 HA TYR A 58 141.048 10.587 20.620 1.00 12.39 H new ATOM 0 HB2 TYR A 58 139.797 8.850 19.685 1.00 13.71 H new ATOM 0 HB3 TYR A 58 138.673 9.071 20.743 1.00 13.71 H new ATOM 0 HD1 TYR A 58 139.844 12.068 19.360 1.00 13.50 H new ATOM 0 HD2 TYR A 58 137.156 9.158 18.725 1.00 12.22 H new ATOM 0 HE1 TYR A 58 138.705 13.436 17.862 1.00 14.69 H new ATOM 0 HE2 TYR A 58 136.029 10.509 17.223 1.00 14.20 H new ATOM 0 HH TYR A 58 136.085 12.415 16.012 1.00 17.52 H new ATOM 487 N PHE A 59 140.380 12.333 22.227 1.00 12.18 N ATOM 488 CA PHE A 59 139.854 13.480 22.957 1.00 13.20 C ATOM 489 C PHE A 59 139.002 14.300 21.976 1.00 13.67 C ATOM 490 O PHE A 59 139.518 15.090 21.189 1.00 12.68 O ATOM 491 CB PHE A 59 141.016 14.284 23.572 1.00 12.59 C ATOM 492 CG PHE A 59 141.887 13.468 24.496 1.00 12.13 C ATOM 493 CD1 PHE A 59 141.553 13.321 25.847 1.00 12.40 C ATOM 494 CD2 PHE A 59 143.022 12.814 24.012 1.00 12.20 C ATOM 495 CE1 PHE A 59 142.360 12.564 26.699 1.00 12.87 C ATOM 496 CE2 PHE A 59 143.821 12.042 24.849 1.00 12.44 C ATOM 497 CZ PHE A 59 143.486 11.921 26.198 1.00 12.72 C ATOM 0 H PHE A 59 141.164 12.465 21.899 1.00 12.18 H new ATOM 0 HA PHE A 59 139.292 13.210 23.700 1.00 13.20 H new ATOM 0 HB2 PHE A 59 141.564 14.646 22.858 1.00 12.59 H new ATOM 0 HB3 PHE A 59 140.654 15.039 24.062 1.00 12.59 H new ATOM 0 HD1 PHE A 59 140.787 13.731 26.180 1.00 12.40 H new ATOM 0 HD2 PHE A 59 143.248 12.896 23.114 1.00 12.20 H new ATOM 0 HE1 PHE A 59 142.144 12.490 27.601 1.00 12.87 H new ATOM 0 HE2 PHE A 59 144.572 11.610 24.512 1.00 12.44 H new ATOM 0 HZ PHE A 59 144.018 11.409 26.764 1.00 12.72 H new ATOM 498 N ALA A 60 137.688 14.080 22.016 1.00 12.63 N ATOM 499 CA ALA A 60 136.831 14.400 20.872 1.00 14.09 C ATOM 500 C ALA A 60 136.136 15.759 20.948 1.00 14.03 C ATOM 501 O ALA A 60 135.912 16.286 22.042 1.00 15.49 O ATOM 502 CB ALA A 60 135.796 13.286 20.671 1.00 15.09 C ATOM 0 H ALA A 60 137.274 13.748 22.692 1.00 12.63 H new ATOM 0 HA ALA A 60 137.426 14.461 20.108 1.00 14.09 H new ATOM 0 HB1 ALA A 60 135.231 13.502 19.913 1.00 15.09 H new ATOM 0 HB2 ALA A 60 136.252 12.446 20.505 1.00 15.09 H new ATOM 0 HB3 ALA A 60 135.249 13.204 21.468 1.00 15.09 H new ATOM 503 N PRO A 61 135.769 16.327 19.778 1.00 14.43 N ATOM 504 CA PRO A 61 134.841 17.461 19.804 1.00 15.10 C ATOM 505 C PRO A 61 133.555 17.099 20.543 1.00 15.59 C ATOM 506 O PRO A 61 133.157 15.918 20.571 1.00 16.31 O ATOM 507 CB PRO A 61 134.533 17.710 18.319 1.00 14.96 C ATOM 508 CG PRO A 61 135.650 17.062 17.568 1.00 15.03 C ATOM 509 CD PRO A 61 136.074 15.888 18.403 1.00 13.95 C ATOM 0 HA PRO A 61 135.213 18.233 20.259 1.00 15.10 H new ATOM 0 HB2 PRO A 61 133.677 17.328 18.071 1.00 14.96 H new ATOM 0 HB3 PRO A 61 134.486 18.659 18.126 1.00 14.96 H new ATOM 0 HG2 PRO A 61 135.359 16.776 16.688 1.00 15.03 H new ATOM 0 HG3 PRO A 61 136.386 17.680 17.436 1.00 15.03 H new ATOM 0 HD2 PRO A 61 135.585 15.084 18.166 1.00 13.95 H new ATOM 0 HD3 PRO A 61 137.017 15.690 18.291 1.00 13.95 H new ATOM 510 N ALA A 62 132.928 18.104 21.154 1.00 16.74 N ATOM 511 CA ALA A 62 131.647 17.926 21.839 1.00 17.40 C ATOM 512 C ALA A 62 130.637 17.155 20.992 1.00 18.31 C ATOM 513 O ALA A 62 130.583 17.313 19.770 1.00 19.20 O ATOM 514 CB ALA A 62 131.066 19.276 22.246 1.00 17.31 C ATOM 0 H ALA A 62 133.233 18.908 21.183 1.00 16.74 H new ATOM 0 HA ALA A 62 131.823 17.398 22.634 1.00 17.40 H new ATOM 0 HB1 ALA A 62 130.218 19.141 22.698 1.00 17.31 H new ATOM 0 HB2 ALA A 62 131.683 19.727 22.844 1.00 17.31 H new ATOM 0 HB3 ALA A 62 130.927 19.820 21.455 1.00 17.31 H new ATOM 515 N ASN A 63 129.848 16.309 21.653 1.00 19.32 N ATOM 516 CA ASN A 63 128.725 15.603 21.017 1.00 18.68 C ATOM 517 C ASN A 63 129.130 14.595 19.926 1.00 19.54 C ATOM 518 O ASN A 63 128.462 14.460 18.899 1.00 20.42 O ATOM 519 CB ASN A 63 127.669 16.608 20.502 1.00 22.73 C ATOM 520 CG ASN A 63 126.269 16.021 20.450 1.00 26.37 C ATOM 521 OD1 ASN A 63 125.973 15.022 21.104 1.00 26.44 O ATOM 522 ND2 ASN A 63 125.392 16.650 19.666 1.00 27.43 N ATOM 0 H ASN A 63 129.946 16.125 22.487 1.00 19.32 H new ATOM 0 HA ASN A 63 128.331 15.058 21.716 1.00 18.68 H new ATOM 0 HB2 ASN A 63 127.666 17.389 21.077 1.00 22.73 H new ATOM 0 HB3 ASN A 63 127.921 16.909 19.615 1.00 22.73 H new ATOM 0 HD21 ASN A 63 124.585 16.359 19.604 1.00 27.43 H new ATOM 0 HD22 ASN A 63 125.634 17.346 19.223 1.00 27.43 H new ATOM 523 N THR A 64 130.227 13.885 20.170 1.00 17.82 N ATOM 524 CA THR A 64 130.686 12.816 19.287 1.00 17.32 C ATOM 525 C THR A 64 130.217 11.443 19.780 1.00 18.82 C ATOM 526 O THR A 64 129.873 10.567 18.978 1.00 20.17 O ATOM 527 CB THR A 64 132.217 12.831 19.164 1.00 16.61 C ATOM 528 OG1 THR A 64 132.636 14.127 18.707 1.00 17.43 O ATOM 529 CG2 THR A 64 132.691 11.757 18.175 1.00 17.74 C ATOM 0 H THR A 64 130.729 14.010 20.857 1.00 17.82 H new ATOM 0 HA THR A 64 130.297 12.975 18.413 1.00 17.32 H new ATOM 0 HB THR A 64 132.607 12.642 20.032 1.00 16.61 H new ATOM 0 HG1 THR A 64 132.710 14.645 19.364 1.00 17.43 H new ATOM 0 HG21 THR A 64 133.659 11.781 18.110 1.00 17.74 H new ATOM 0 HG22 THR A 64 132.410 10.883 18.487 1.00 17.74 H new ATOM 0 HG23 THR A 64 132.304 11.928 17.302 1.00 17.74 H new ATOM 530 N ASP A 65 130.233 11.256 21.097 1.00 18.70 N ATOM 531 CA ASP A 65 129.704 10.038 21.702 1.00 19.21 C ATOM 532 C ASP A 65 129.195 10.318 23.106 1.00 19.19 C ATOM 533 O ASP A 65 129.880 10.964 23.895 1.00 19.05 O ATOM 534 CB ASP A 65 130.768 8.944 21.762 1.00 19.15 C ATOM 535 CG ASP A 65 130.191 7.610 22.185 1.00 21.87 C ATOM 536 OD1 ASP A 65 129.675 6.888 21.305 1.00 24.16 O ATOM 537 OD2 ASP A 65 130.248 7.293 23.390 1.00 21.16 O ATOM 0 H ASP A 65 130.547 11.825 21.660 1.00 18.70 H new ATOM 0 HA ASP A 65 128.970 9.731 21.146 1.00 19.21 H new ATOM 0 HB2 ASP A 65 131.186 8.853 20.891 1.00 19.15 H new ATOM 0 HB3 ASP A 65 131.464 9.206 22.385 1.00 19.15 H new ATOM 538 N ALA A 66 127.994 9.823 23.407 1.00 20.74 N ATOM 539 CA ALA A 66 127.401 9.930 24.751 1.00 21.50 C ATOM 540 C ALA A 66 127.440 11.349 25.333 1.00 22.31 C ATOM 541 O ALA A 66 127.708 11.540 26.528 1.00 21.89 O ATOM 542 CB ALA A 66 128.060 8.934 25.699 1.00 22.84 C ATOM 0 H ALA A 66 127.495 9.414 22.838 1.00 20.74 H new ATOM 0 HA ALA A 66 126.461 9.712 24.654 1.00 21.50 H new ATOM 0 HB1 ALA A 66 127.662 9.013 26.580 1.00 22.84 H new ATOM 0 HB2 ALA A 66 127.928 8.033 25.365 1.00 22.84 H new ATOM 0 HB3 ALA A 66 129.010 9.121 25.756 1.00 22.84 H new ATOM 543 N ASN A 67 127.180 12.335 24.477 1.00 23.83 N ATOM 544 CA ASN A 67 127.153 13.744 24.869 1.00 25.34 C ATOM 545 C ASN A 67 128.431 14.198 25.579 1.00 23.67 C ATOM 546 O ASN A 67 128.381 14.946 26.561 1.00 23.67 O ATOM 547 CB ASN A 67 125.903 14.053 25.717 1.00 28.47 C ATOM 548 CG ASN A 67 124.606 13.751 24.981 1.00 31.23 C ATOM 549 OD1 ASN A 67 124.275 14.394 23.982 1.00 33.68 O ATOM 550 ND2 ASN A 67 123.863 12.769 25.477 1.00 31.28 N ATOM 0 H ASN A 67 127.013 12.204 23.644 1.00 23.83 H new ATOM 0 HA ASN A 67 127.106 14.258 24.047 1.00 25.34 H new ATOM 0 HB2 ASN A 67 125.935 13.533 26.535 1.00 28.47 H new ATOM 0 HB3 ASN A 67 125.914 14.988 25.975 1.00 28.47 H new ATOM 0 HD21 ASN A 67 123.119 12.560 25.100 1.00 31.28 H new ATOM 0 HD22 ASN A 67 124.126 12.342 26.176 1.00 31.28 H new ATOM 551 N ASN A 68 129.582 13.739 25.084 1.00 21.30 N ATOM 552 CA ASN A 68 130.864 14.207 25.605 1.00 19.86 C ATOM 553 C ASN A 68 131.024 15.708 25.370 1.00 18.82 C ATOM 554 O ASN A 68 130.436 16.262 24.438 1.00 18.99 O ATOM 555 CB ASN A 68 132.026 13.473 24.935 1.00 19.26 C ATOM 556 CG ASN A 68 132.220 13.895 23.492 1.00 18.49 C ATOM 557 OD1 ASN A 68 131.458 13.497 22.606 1.00 19.04 O ATOM 558 ND2 ASN A 68 133.247 14.708 23.245 1.00 18.10 N ATOM 0 H ASN A 68 129.641 13.160 24.451 1.00 21.30 H new ATOM 0 HA ASN A 68 130.877 14.024 26.558 1.00 19.86 H new ATOM 0 HB2 ASN A 68 132.842 13.643 25.432 1.00 19.26 H new ATOM 0 HB3 ASN A 68 131.865 12.517 24.971 1.00 19.26 H new ATOM 0 HD21 ASN A 68 133.400 14.976 22.442 1.00 18.10 H new ATOM 0 HD22 ASN A 68 133.757 14.965 23.888 1.00 18.10 H new ATOM 559 N ILE A 69 131.826 16.361 26.203 1.00 18.67 N ATOM 560 CA ILE A 69 132.135 17.778 25.984 1.00 18.18 C ATOM 561 C ILE A 69 133.466 17.926 25.250 1.00 17.35 C ATOM 562 O ILE A 69 134.182 16.937 25.065 1.00 17.39 O ATOM 563 CB ILE A 69 132.094 18.601 27.293 1.00 19.03 C ATOM 564 CG1 ILE A 69 133.020 17.989 28.356 1.00 19.93 C ATOM 565 CG2 ILE A 69 130.646 18.729 27.763 1.00 20.18 C ATOM 566 CD1 ILE A 69 133.088 18.762 29.660 1.00 21.42 C ATOM 0 H ILE A 69 132.200 16.011 26.894 1.00 18.67 H new ATOM 0 HA ILE A 69 131.439 18.148 25.419 1.00 18.18 H new ATOM 0 HB ILE A 69 132.431 19.496 27.131 1.00 19.03 H new ATOM 0 HG12 ILE A 69 132.722 17.085 28.545 1.00 19.93 H new ATOM 0 HG13 ILE A 69 133.915 17.921 27.987 1.00 19.93 H new ATOM 0 HG21 ILE A 69 130.616 19.245 28.584 1.00 20.18 H new ATOM 0 HG22 ILE A 69 130.123 19.178 27.081 1.00 20.18 H new ATOM 0 HG23 ILE A 69 130.278 17.846 27.923 1.00 20.18 H new ATOM 0 HD11 ILE A 69 133.690 18.311 30.273 1.00 21.42 H new ATOM 0 HD12 ILE A 69 133.414 19.659 29.488 1.00 21.42 H new ATOM 0 HD13 ILE A 69 132.203 18.810 30.054 1.00 21.42 H new ATOM 567 N ASP A 70 133.776 19.145 24.801 1.00 16.59 N ATOM 568 CA ASP A 70 135.012 19.408 24.048 1.00 17.24 C ATOM 569 C ASP A 70 136.246 18.875 24.766 1.00 15.16 C ATOM 570 O ASP A 70 136.495 19.227 25.923 1.00 16.25 O ATOM 571 CB ASP A 70 135.196 20.910 23.802 1.00 18.99 C ATOM 572 CG ASP A 70 134.481 21.401 22.559 1.00 20.90 C ATOM 573 OD1 ASP A 70 134.178 20.591 21.663 1.00 21.53 O ATOM 574 OD2 ASP A 70 134.239 22.624 22.473 1.00 24.09 O ATOM 0 H ASP A 70 133.282 19.839 24.922 1.00 16.59 H new ATOM 0 HA ASP A 70 134.920 18.944 23.201 1.00 17.24 H new ATOM 0 HB2 ASP A 70 134.869 21.401 24.572 1.00 18.99 H new ATOM 0 HB3 ASP A 70 136.143 21.106 23.722 1.00 18.99 H new ATOM 575 N GLY A 71 137.014 18.025 24.079 1.00 14.46 N ATOM 576 CA GLY A 71 138.274 17.506 24.620 1.00 13.68 C ATOM 577 C GLY A 71 138.167 16.288 25.527 1.00 13.91 C ATOM 578 O GLY A 71 139.178 15.775 25.994 1.00 13.94 O ATOM 0 H GLY A 71 136.821 17.735 23.293 1.00 14.46 H new ATOM 0 HA2 GLY A 71 138.855 17.282 23.877 1.00 13.68 H new ATOM 0 HA3 GLY A 71 138.709 18.218 25.116 1.00 13.68 H new ATOM 579 N GLN A 72 136.945 15.826 25.787 1.00 14.16 N ATOM 580 CA GLN A 72 136.741 14.663 26.662 1.00 14.59 C ATOM 581 C GLN A 72 136.972 13.388 25.864 1.00 14.19 C ATOM 582 O GLN A 72 136.449 13.260 24.753 1.00 14.57 O ATOM 583 CB GLN A 72 135.322 14.665 27.240 1.00 15.65 C ATOM 584 CG GLN A 72 135.015 13.469 28.143 1.00 17.01 C ATOM 585 CD GLN A 72 133.581 13.453 28.652 1.00 18.58 C ATOM 586 OE1 GLN A 72 132.790 14.367 28.388 1.00 18.84 O ATOM 587 NE2 GLN A 72 133.237 12.403 29.394 1.00 19.73 N ATOM 0 H GLN A 72 136.222 16.167 25.470 1.00 14.16 H new ATOM 0 HA GLN A 72 137.371 14.708 27.398 1.00 14.59 H new ATOM 0 HB2 GLN A 72 135.190 15.482 27.746 1.00 15.65 H new ATOM 0 HB3 GLN A 72 134.685 14.678 26.509 1.00 15.65 H new ATOM 0 HG2 GLN A 72 135.187 12.649 27.654 1.00 17.01 H new ATOM 0 HG3 GLN A 72 135.621 13.480 28.901 1.00 17.01 H new ATOM 0 HE21 GLN A 72 133.812 11.785 29.558 1.00 19.73 H new ATOM 0 HE22 GLN A 72 132.439 12.342 29.709 1.00 19.73 H new ATOM 588 N ALA A 73 137.756 12.464 26.423 1.00 14.88 N ATOM 589 CA ALA A 73 137.990 11.171 25.784 1.00 14.45 C ATOM 590 C ALA A 73 136.689 10.389 25.686 1.00 14.78 C ATOM 591 O ALA A 73 135.845 10.419 26.603 1.00 14.28 O ATOM 592 CB ALA A 73 139.027 10.368 26.554 1.00 13.56 C ATOM 0 H ALA A 73 138.162 12.568 27.174 1.00 14.88 H new ATOM 0 HA ALA A 73 138.329 11.331 24.890 1.00 14.45 H new ATOM 0 HB1 ALA A 73 139.168 9.515 26.114 1.00 13.56 H new ATOM 0 HB2 ALA A 73 139.863 10.859 26.580 1.00 13.56 H new ATOM 0 HB3 ALA A 73 138.713 10.217 27.459 1.00 13.56 H new ATOM 593 N ILE A 74 136.531 9.681 24.574 1.00 14.23 N ATOM 594 CA ILE A 74 135.315 8.916 24.329 1.00 13.70 C ATOM 595 C ILE A 74 135.561 7.426 24.095 1.00 14.87 C ATOM 596 O ILE A 74 136.653 7.006 23.700 1.00 16.18 O ATOM 597 CB ILE A 74 134.479 9.490 23.158 1.00 13.39 C ATOM 598 CG1 ILE A 74 135.292 9.558 21.852 1.00 13.79 C ATOM 599 CG2 ILE A 74 133.898 10.845 23.544 1.00 13.65 C ATOM 600 CD1 ILE A 74 134.421 9.618 20.608 1.00 12.79 C ATOM 0 H ILE A 74 137.118 9.630 23.947 1.00 14.23 H new ATOM 0 HA ILE A 74 134.809 9.004 25.152 1.00 13.70 H new ATOM 0 HB ILE A 74 133.741 8.885 22.985 1.00 13.39 H new ATOM 0 HG12 ILE A 74 135.866 10.339 21.876 1.00 13.79 H new ATOM 0 HG13 ILE A 74 135.871 8.782 21.797 1.00 13.79 H new ATOM 0 HG21 ILE A 74 133.377 11.196 22.805 1.00 13.65 H new ATOM 0 HG22 ILE A 74 133.328 10.743 24.322 1.00 13.65 H new ATOM 0 HG23 ILE A 74 134.619 11.460 23.751 1.00 13.65 H new ATOM 0 HD11 ILE A 74 134.985 9.659 19.820 1.00 12.79 H new ATOM 0 HD12 ILE A 74 133.863 8.826 20.565 1.00 12.79 H new ATOM 0 HD13 ILE A 74 133.858 10.407 20.644 1.00 12.79 H new ATOM 601 N ARG A 75 134.525 6.634 24.362 1.00 16.68 N ATOM 602 CA ARG A 75 134.457 5.263 23.855 1.00 16.75 C ATOM 603 C ARG A 75 134.535 5.330 22.323 1.00 16.09 C ATOM 604 O ARG A 75 133.816 6.123 21.697 1.00 15.88 O ATOM 605 CB ARG A 75 133.134 4.623 24.283 1.00 18.05 C ATOM 606 CG ARG A 75 133.033 3.124 24.011 1.00 23.38 C ATOM 607 CD ARG A 75 131.621 2.594 24.259 1.00 25.27 C ATOM 608 NE ARG A 75 130.621 3.230 23.396 1.00 31.11 N ATOM 609 CZ ARG A 75 130.335 2.863 22.146 1.00 32.53 C ATOM 610 NH1 ARG A 75 130.966 1.846 21.565 1.00 31.45 N ATOM 611 NH2 ARG A 75 129.405 3.525 21.469 1.00 32.32 N ATOM 0 H ARG A 75 133.848 6.872 24.837 1.00 16.68 H new ATOM 0 HA ARG A 75 135.186 4.729 24.208 1.00 16.75 H new ATOM 0 HB2 ARG A 75 133.007 4.776 25.232 1.00 18.05 H new ATOM 0 HB3 ARG A 75 132.408 5.072 23.823 1.00 18.05 H new ATOM 0 HG2 ARG A 75 133.289 2.944 23.093 1.00 23.38 H new ATOM 0 HG3 ARG A 75 133.661 2.650 24.578 1.00 23.38 H new ATOM 0 HD2 ARG A 75 131.608 1.635 24.111 1.00 25.27 H new ATOM 0 HD3 ARG A 75 131.382 2.741 25.188 1.00 25.27 H new ATOM 0 HE ARG A 75 130.183 3.894 23.722 1.00 31.11 H new ATOM 0 HH11 ARG A 75 131.570 1.412 21.996 1.00 31.45 H new ATOM 0 HH12 ARG A 75 130.769 1.622 20.758 1.00 31.45 H new ATOM 0 HH21 ARG A 75 128.993 4.184 21.837 1.00 32.32 H new ATOM 0 HH22 ARG A 75 129.215 3.295 20.663 1.00 32.32 H new ATOM 612 N TYR A 76 135.402 4.510 21.727 1.00 15.26 N ATOM 613 CA TYR A 76 135.588 4.476 20.269 1.00 17.15 C ATOM 614 C TYR A 76 136.213 3.131 19.893 1.00 17.02 C ATOM 615 O TYR A 76 137.424 2.949 19.988 1.00 14.76 O ATOM 616 CB TYR A 76 136.443 5.678 19.789 1.00 17.33 C ATOM 617 CG TYR A 76 136.313 5.959 18.295 1.00 17.90 C ATOM 618 CD1 TYR A 76 135.270 6.740 17.790 1.00 19.34 C ATOM 619 CD2 TYR A 76 137.225 5.412 17.385 1.00 18.70 C ATOM 620 CE1 TYR A 76 135.152 6.979 16.422 1.00 19.79 C ATOM 621 CE2 TYR A 76 137.113 5.642 16.015 1.00 20.03 C ATOM 622 CZ TYR A 76 136.077 6.420 15.537 1.00 20.11 C ATOM 623 OH TYR A 76 135.969 6.635 14.168 1.00 20.63 O ATOM 0 H TYR A 76 135.901 3.956 22.155 1.00 15.26 H new ATOM 0 HA TYR A 76 134.732 4.559 19.820 1.00 17.15 H new ATOM 0 HB2 TYR A 76 136.181 6.470 20.284 1.00 17.33 H new ATOM 0 HB3 TYR A 76 137.375 5.507 19.999 1.00 17.33 H new ATOM 0 HD1 TYR A 76 134.646 7.105 18.375 1.00 19.34 H new ATOM 0 HD2 TYR A 76 137.921 4.883 17.702 1.00 18.70 H new ATOM 0 HE1 TYR A 76 134.459 7.509 16.099 1.00 19.79 H new ATOM 0 HE2 TYR A 76 137.732 5.274 15.427 1.00 20.03 H new ATOM 0 HH TYR A 76 136.495 6.122 13.761 1.00 20.63 H new ATOM 624 N GLN A 77 135.369 2.188 19.462 1.00 17.65 N ATOM 625 CA GLN A 77 135.741 0.772 19.440 1.00 17.39 C ATOM 626 C GLN A 77 135.760 0.110 18.066 1.00 17.02 C ATOM 627 O GLN A 77 134.792 0.215 17.318 1.00 19.47 O ATOM 628 CB GLN A 77 134.770 -0.019 20.318 1.00 18.41 C ATOM 629 CG GLN A 77 134.977 0.124 21.815 1.00 20.23 C ATOM 630 CD GLN A 77 133.880 -0.581 22.597 1.00 20.69 C ATOM 631 OE1 GLN A 77 132.725 -0.147 22.598 1.00 23.42 O ATOM 632 NE2 GLN A 77 134.237 -1.667 23.268 1.00 23.93 N ATOM 0 H GLN A 77 134.574 2.350 19.177 1.00 17.65 H new ATOM 0 HA GLN A 77 136.655 0.755 19.765 1.00 17.39 H new ATOM 0 HB2 GLN A 77 133.866 0.259 20.104 1.00 18.41 H new ATOM 0 HB3 GLN A 77 134.840 -0.958 20.086 1.00 18.41 H new ATOM 0 HG2 GLN A 77 135.840 -0.245 22.061 1.00 20.23 H new ATOM 0 HG3 GLN A 77 134.993 1.064 22.053 1.00 20.23 H new ATOM 0 HE21 GLN A 77 135.052 -1.939 23.243 1.00 23.93 H new ATOM 0 HE22 GLN A 77 133.653 -2.099 23.728 1.00 23.93 H new ATOM 633 N ASN A 78 136.860 -0.585 17.777 1.00 17.25 N ATOM 634 CA ASN A 78 136.988 -1.485 16.608 1.00 19.74 C ATOM 635 C ASN A 78 136.647 -0.809 15.279 1.00 19.43 C ATOM 636 O ASN A 78 135.847 -1.325 14.484 1.00 19.57 O ATOM 637 CB ASN A 78 136.137 -2.744 16.804 1.00 19.77 C ATOM 638 CG ASN A 78 136.416 -3.439 18.125 1.00 19.43 C ATOM 639 OD1 ASN A 78 137.555 -3.793 18.433 1.00 22.66 O ATOM 640 ND2 ASN A 78 135.369 -3.636 18.914 1.00 24.00 N ATOM 0 H ASN A 78 137.571 -0.551 18.259 1.00 17.25 H new ATOM 0 HA ASN A 78 137.925 -1.732 16.556 1.00 19.74 H new ATOM 0 HB2 ASN A 78 135.198 -2.505 16.760 1.00 19.77 H new ATOM 0 HB3 ASN A 78 136.307 -3.362 16.076 1.00 19.77 H new ATOM 0 HD21 ASN A 78 135.471 -4.025 19.674 1.00 24.00 H new ATOM 0 HD22 ASN A 78 134.588 -3.375 18.665 1.00 24.00 H new ATOM 641 N ARG A 79 137.246 0.359 15.050 1.00 17.68 N ATOM 642 CA ARG A 79 136.991 1.131 13.836 1.00 16.98 C ATOM 643 C ARG A 79 138.132 2.090 13.529 1.00 15.93 C ATOM 644 O ARG A 79 138.947 2.392 14.405 1.00 16.56 O ATOM 645 CB ARG A 79 135.656 1.889 13.933 1.00 22.33 C ATOM 646 CG ARG A 79 135.558 2.850 15.104 1.00 25.03 C ATOM 647 CD ARG A 79 134.140 3.373 15.309 1.00 32.91 C ATOM 648 NE ARG A 79 133.237 2.321 15.784 1.00 38.28 N ATOM 649 CZ ARG A 79 132.056 2.026 15.242 1.00 42.87 C ATOM 650 NH1 ARG A 79 131.596 2.714 14.203 1.00 47.01 N ATOM 651 NH2 ARG A 79 131.320 1.044 15.754 1.00 44.54 N ATOM 0 H ARG A 79 137.807 0.723 15.590 1.00 17.68 H new ATOM 0 HA ARG A 79 136.931 0.500 13.102 1.00 16.98 H new ATOM 0 HB2 ARG A 79 135.519 2.385 13.111 1.00 22.33 H new ATOM 0 HB3 ARG A 79 134.935 1.243 13.999 1.00 22.33 H new ATOM 0 HG2 ARG A 79 135.855 2.403 15.912 1.00 25.03 H new ATOM 0 HG3 ARG A 79 136.158 3.598 14.957 1.00 25.03 H new ATOM 0 HD2 ARG A 79 134.153 4.102 15.949 1.00 32.91 H new ATOM 0 HD3 ARG A 79 133.805 3.735 14.474 1.00 32.91 H new ATOM 0 HE ARG A 79 133.488 1.859 16.464 1.00 38.28 H new ATOM 0 HH11 ARG A 79 132.062 3.357 13.873 1.00 47.01 H new ATOM 0 HH12 ARG A 79 130.833 2.516 13.860 1.00 47.01 H new ATOM 0 HH21 ARG A 79 131.607 0.601 16.433 1.00 44.54 H new ATOM 0 HH22 ARG A 79 130.557 0.852 15.406 1.00 44.54 H new ATOM 652 N PHE A 80 138.193 2.549 12.280 1.00 14.96 N ATOM 653 CA PHE A 80 139.165 3.558 11.870 1.00 14.38 C ATOM 654 C PHE A 80 138.680 4.944 12.310 1.00 13.24 C ATOM 655 O PHE A 80 137.475 5.179 12.420 1.00 15.28 O ATOM 656 CB PHE A 80 139.359 3.541 10.346 1.00 14.34 C ATOM 657 CG PHE A 80 140.111 2.337 9.818 1.00 14.91 C ATOM 658 CD1 PHE A 80 139.438 1.152 9.519 1.00 16.12 C ATOM 659 CD2 PHE A 80 141.482 2.397 9.598 1.00 14.96 C ATOM 660 CE1 PHE A 80 140.127 0.049 9.018 1.00 15.77 C ATOM 661 CE2 PHE A 80 142.182 1.293 9.099 1.00 15.23 C ATOM 662 CZ PHE A 80 141.497 0.122 8.806 1.00 15.29 C ATOM 0 H PHE A 80 137.673 2.284 11.649 1.00 14.96 H new ATOM 0 HA PHE A 80 140.015 3.357 12.291 1.00 14.38 H new ATOM 0 HB2 PHE A 80 138.488 3.575 9.921 1.00 14.34 H new ATOM 0 HB3 PHE A 80 139.834 4.345 10.084 1.00 14.34 H new ATOM 0 HD1 PHE A 80 138.520 1.098 9.655 1.00 16.12 H new ATOM 0 HD2 PHE A 80 141.941 3.184 9.785 1.00 14.96 H new ATOM 0 HE1 PHE A 80 139.668 -0.737 8.825 1.00 15.77 H new ATOM 0 HE2 PHE A 80 143.101 1.344 8.964 1.00 15.23 H new ATOM 0 HZ PHE A 80 141.955 -0.613 8.468 1.00 15.29 H new ATOM 663 N LEU A 81 139.626 5.839 12.601 1.00 14.26 N ATOM 664 CA LEU A 81 139.331 7.259 12.789 1.00 12.92 C ATOM 665 C LEU A 81 140.117 8.025 11.733 1.00 13.26 C ATOM 666 O LEU A 81 141.333 7.896 11.646 1.00 14.06 O ATOM 667 CB LEU A 81 139.719 7.733 14.196 1.00 13.79 C ATOM 668 CG LEU A 81 139.512 9.226 14.506 1.00 15.05 C ATOM 669 CD1 LEU A 81 138.046 9.627 14.415 1.00 15.37 C ATOM 670 CD2 LEU A 81 140.089 9.554 15.877 1.00 14.92 C ATOM 0 H LEU A 81 140.457 5.639 12.695 1.00 14.26 H new ATOM 0 HA LEU A 81 138.378 7.415 12.696 1.00 12.92 H new ATOM 0 HB2 LEU A 81 139.210 7.217 14.840 1.00 13.79 H new ATOM 0 HB3 LEU A 81 140.655 7.521 14.339 1.00 13.79 H new ATOM 0 HG LEU A 81 139.984 9.743 13.835 1.00 15.05 H new ATOM 0 HD11 LEU A 81 137.956 10.572 14.616 1.00 15.37 H new ATOM 0 HD12 LEU A 81 137.718 9.455 13.518 1.00 15.37 H new ATOM 0 HD13 LEU A 81 137.529 9.110 15.052 1.00 15.37 H new ATOM 0 HD21 LEU A 81 139.956 10.496 16.067 1.00 14.92 H new ATOM 0 HD22 LEU A 81 139.641 9.022 16.553 1.00 14.92 H new ATOM 0 HD23 LEU A 81 141.038 9.354 15.885 1.00 14.92 H new ATOM 671 N HIS A 82 139.403 8.790 10.915 1.00 13.89 N ATOM 672 CA HIS A 82 140.013 9.583 9.863 1.00 13.62 C ATOM 673 C HIS A 82 139.949 11.051 10.287 1.00 14.32 C ATOM 674 O HIS A 82 138.977 11.742 10.018 1.00 16.98 O ATOM 675 CB HIS A 82 139.270 9.359 8.540 1.00 14.84 C ATOM 676 CG HIS A 82 139.456 7.985 7.969 1.00 13.14 C ATOM 677 ND1 HIS A 82 140.500 7.668 7.129 1.00 15.23 N ATOM 678 CD2 HIS A 82 138.739 6.847 8.125 1.00 14.03 C ATOM 679 CE1 HIS A 82 140.415 6.395 6.783 1.00 14.25 C ATOM 680 NE2 HIS A 82 139.351 5.877 7.366 1.00 13.70 N ATOM 0 H HIS A 82 138.547 8.862 10.957 1.00 13.89 H new ATOM 0 HA HIS A 82 140.937 9.322 9.727 1.00 13.62 H new ATOM 0 HB2 HIS A 82 138.323 9.517 8.679 1.00 14.84 H new ATOM 0 HB3 HIS A 82 139.575 10.014 7.892 1.00 14.84 H new ATOM 0 HD2 HIS A 82 137.977 6.741 8.647 1.00 14.03 H new ATOM 0 HE1 HIS A 82 141.004 5.942 6.224 1.00 14.25 H new ATOM 0 HE2 HIS A 82 139.083 5.064 7.285 1.00 13.70 H new ATOM 681 N LEU A 83 140.986 11.513 10.972 1.00 13.50 N ATOM 682 CA LEU A 83 140.951 12.845 11.599 1.00 13.23 C ATOM 683 C LEU A 83 142.028 13.738 11.020 1.00 13.03 C ATOM 684 O LEU A 83 143.195 13.359 10.991 1.00 12.11 O ATOM 685 CB LEU A 83 141.160 12.716 13.108 1.00 15.25 C ATOM 686 CG LEU A 83 140.747 13.878 14.018 1.00 16.50 C ATOM 687 CD1 LEU A 83 139.248 13.881 14.254 1.00 15.82 C ATOM 688 CD2 LEU A 83 141.480 13.766 15.348 1.00 17.45 C ATOM 0 H LEU A 83 141.720 11.080 11.090 1.00 13.50 H new ATOM 0 HA LEU A 83 140.084 13.242 11.421 1.00 13.23 H new ATOM 0 HB2 LEU A 83 140.679 11.927 13.404 1.00 15.25 H new ATOM 0 HB3 LEU A 83 142.103 12.546 13.259 1.00 15.25 H new ATOM 0 HG LEU A 83 140.985 14.711 13.581 1.00 16.50 H new ATOM 0 HD11 LEU A 83 139.013 14.624 14.831 1.00 15.82 H new ATOM 0 HD12 LEU A 83 138.787 13.973 13.406 1.00 15.82 H new ATOM 0 HD13 LEU A 83 138.985 13.048 14.676 1.00 15.82 H new ATOM 0 HD21 LEU A 83 141.219 14.501 15.924 1.00 17.45 H new ATOM 0 HD22 LEU A 83 141.251 12.925 15.774 1.00 17.45 H new ATOM 0 HD23 LEU A 83 142.437 13.800 15.194 1.00 17.45 H new ATOM 689 N LEU A 84 141.627 14.928 10.566 1.00 13.44 N ATOM 690 CA LEU A 84 142.570 15.937 10.078 1.00 13.87 C ATOM 691 C LEU A 84 143.494 15.423 8.971 1.00 13.74 C ATOM 692 O LEU A 84 144.638 15.871 8.837 1.00 14.79 O ATOM 693 CB LEU A 84 143.385 16.515 11.256 1.00 14.15 C ATOM 694 CG LEU A 84 142.591 17.216 12.366 1.00 15.56 C ATOM 695 CD1 LEU A 84 143.424 17.353 13.628 1.00 14.10 C ATOM 696 CD2 LEU A 84 142.075 18.572 11.908 1.00 15.38 C ATOM 0 H LEU A 84 140.803 15.172 10.533 1.00 13.44 H new ATOM 0 HA LEU A 84 142.041 16.643 9.674 1.00 13.87 H new ATOM 0 HB2 LEU A 84 143.892 15.792 11.657 1.00 14.15 H new ATOM 0 HB3 LEU A 84 144.028 17.147 10.898 1.00 14.15 H new ATOM 0 HG LEU A 84 141.822 16.661 12.570 1.00 15.56 H new ATOM 0 HD11 LEU A 84 142.902 17.798 14.314 1.00 14.10 H new ATOM 0 HD12 LEU A 84 143.685 16.473 13.941 1.00 14.10 H new ATOM 0 HD13 LEU A 84 144.218 17.876 13.437 1.00 14.10 H new ATOM 0 HD21 LEU A 84 141.578 18.990 12.629 1.00 15.38 H new ATOM 0 HD22 LEU A 84 142.824 19.137 11.662 1.00 15.38 H new ATOM 0 HD23 LEU A 84 141.493 18.455 11.141 1.00 15.38 H new ATOM 697 N GLY A 85 143.002 14.469 8.175 1.00 14.05 N ATOM 698 CA GLY A 85 143.804 13.900 7.090 1.00 14.92 C ATOM 699 C GLY A 85 144.704 12.740 7.485 1.00 14.33 C ATOM 700 O GLY A 85 145.434 12.209 6.643 1.00 14.19 O ATOM 0 H GLY A 85 142.211 14.140 8.247 1.00 14.05 H new ATOM 0 HA2 GLY A 85 143.205 13.601 6.388 1.00 14.92 H new ATOM 0 HA3 GLY A 85 144.355 14.603 6.712 1.00 14.92 H new ATOM 701 N ASN A 86 144.652 12.361 8.762 1.00 14.34 N ATOM 702 CA ASN A 86 145.499 11.304 9.325 1.00 13.52 C ATOM 703 C ASN A 86 144.655 10.073 9.647 1.00 12.52 C ATOM 704 O ASN A 86 143.452 10.194 9.865 1.00 13.79 O ATOM 705 CB ASN A 86 146.242 11.842 10.561 1.00 14.49 C ATOM 706 CG ASN A 86 146.908 13.188 10.286 1.00 13.70 C ATOM 707 OD1 ASN A 86 147.714 13.315 9.365 1.00 16.11 O ATOM 708 ND2 ASN A 86 146.531 14.205 11.050 1.00 13.93 N ATOM 0 H ASN A 86 144.117 12.715 9.335 1.00 14.34 H new ATOM 0 HA ASN A 86 146.166 11.032 8.676 1.00 13.52 H new ATOM 0 HB2 ASN A 86 145.618 11.935 11.298 1.00 14.49 H new ATOM 0 HB3 ASN A 86 146.914 11.200 10.838 1.00 14.49 H new ATOM 0 HD21 ASN A 86 146.852 14.990 10.910 1.00 13.93 H new ATOM 0 HD22 ASN A 86 145.965 14.079 11.685 1.00 13.93 H new ATOM 709 N ILE A 87 145.278 8.894 9.641 1.00 12.67 N ATOM 710 CA ILE A 87 144.548 7.630 9.767 1.00 12.26 C ATOM 711 C ILE A 87 144.958 6.913 11.050 1.00 11.43 C ATOM 712 O ILE A 87 146.142 6.664 11.264 1.00 12.20 O ATOM 713 CB ILE A 87 144.821 6.704 8.548 1.00 12.57 C ATOM 714 CG1 ILE A 87 144.445 7.418 7.245 1.00 13.94 C ATOM 715 CG2 ILE A 87 144.055 5.383 8.686 1.00 13.62 C ATOM 716 CD1 ILE A 87 144.839 6.665 5.982 1.00 18.14 C ATOM 0 H ILE A 87 146.130 8.804 9.564 1.00 12.67 H new ATOM 0 HA ILE A 87 143.600 7.834 9.796 1.00 12.26 H new ATOM 0 HB ILE A 87 145.769 6.498 8.524 1.00 12.57 H new ATOM 0 HG12 ILE A 87 143.486 7.566 7.235 1.00 13.94 H new ATOM 0 HG13 ILE A 87 144.867 8.291 7.233 1.00 13.94 H new ATOM 0 HG21 ILE A 87 144.238 4.821 7.917 1.00 13.62 H new ATOM 0 HG22 ILE A 87 144.338 4.927 9.494 1.00 13.62 H new ATOM 0 HG23 ILE A 87 143.103 5.564 8.734 1.00 13.62 H new ATOM 0 HD11 ILE A 87 144.570 7.176 5.203 1.00 18.14 H new ATOM 0 HD12 ILE A 87 145.800 6.537 5.968 1.00 18.14 H new ATOM 0 HD13 ILE A 87 144.398 5.801 5.969 1.00 18.14 H new ATOM 717 N TYR A 88 143.968 6.610 11.886 1.00 12.00 N ATOM 718 CA TYR A 88 144.147 5.828 13.118 1.00 12.78 C ATOM 719 C TYR A 88 143.256 4.588 13.077 1.00 12.14 C ATOM 720 O TYR A 88 142.251 4.560 12.371 1.00 13.32 O ATOM 721 CB TYR A 88 143.745 6.646 14.354 1.00 13.47 C ATOM 722 CG TYR A 88 144.426 7.993 14.472 1.00 13.18 C ATOM 723 CD1 TYR A 88 143.886 9.122 13.844 1.00 14.77 C ATOM 724 CD2 TYR A 88 145.588 8.141 15.221 1.00 12.95 C ATOM 725 CE1 TYR A 88 144.509 10.364 13.945 1.00 13.82 C ATOM 726 CE2 TYR A 88 146.226 9.379 15.321 1.00 14.06 C ATOM 727 CZ TYR A 88 145.666 10.485 14.691 1.00 14.25 C ATOM 728 OH TYR A 88 146.274 11.722 14.794 1.00 15.60 O ATOM 0 H TYR A 88 143.155 6.857 11.754 1.00 12.00 H new ATOM 0 HA TYR A 88 145.084 5.583 13.176 1.00 12.78 H new ATOM 0 HB2 TYR A 88 142.785 6.783 14.337 1.00 13.47 H new ATOM 0 HB3 TYR A 88 143.943 6.127 15.149 1.00 13.47 H new ATOM 0 HD1 TYR A 88 143.101 9.042 13.353 1.00 14.77 H new ATOM 0 HD2 TYR A 88 145.946 7.404 15.662 1.00 12.95 H new ATOM 0 HE1 TYR A 88 144.149 11.105 13.514 1.00 13.82 H new ATOM 0 HE2 TYR A 88 147.017 9.463 15.804 1.00 14.06 H new ATOM 0 HH TYR A 88 146.797 11.723 15.451 1.00 15.60 H new ATOM 729 N TYR A 89 143.612 3.560 13.848 1.00 12.94 N ATOM 730 CA TYR A 89 142.682 2.457 14.074 1.00 13.90 C ATOM 731 C TYR A 89 142.555 2.223 15.570 1.00 13.86 C ATOM 732 O TYR A 89 143.568 2.137 16.274 1.00 14.73 O ATOM 733 CB TYR A 89 143.121 1.155 13.366 1.00 14.41 C ATOM 734 CG TYR A 89 142.101 0.053 13.572 1.00 15.79 C ATOM 735 CD1 TYR A 89 140.928 0.011 12.814 1.00 16.12 C ATOM 736 CD2 TYR A 89 142.290 -0.926 14.553 1.00 16.84 C ATOM 737 CE1 TYR A 89 139.980 -0.977 13.013 1.00 17.17 C ATOM 738 CE2 TYR A 89 141.342 -1.916 14.756 1.00 16.66 C ATOM 739 CZ TYR A 89 140.197 -1.935 13.983 1.00 17.88 C ATOM 740 OH TYR A 89 139.252 -2.911 14.178 1.00 19.58 O ATOM 0 H TYR A 89 144.373 3.483 14.242 1.00 12.94 H new ATOM 0 HA TYR A 89 141.825 2.704 13.693 1.00 13.90 H new ATOM 0 HB2 TYR A 89 143.235 1.322 12.417 1.00 14.41 H new ATOM 0 HB3 TYR A 89 143.983 0.871 13.709 1.00 14.41 H new ATOM 0 HD1 TYR A 89 140.782 0.659 12.163 1.00 16.12 H new ATOM 0 HD2 TYR A 89 143.060 -0.912 15.074 1.00 16.84 H new ATOM 0 HE1 TYR A 89 139.205 -0.995 12.499 1.00 17.17 H new ATOM 0 HE2 TYR A 89 141.476 -2.564 15.409 1.00 16.66 H new ATOM 0 HH TYR A 89 138.485 -2.579 14.095 1.00 19.58 H new ATOM 741 N PHE A 90 141.312 2.123 16.039 1.00 13.88 N ATOM 742 CA PHE A 90 141.021 1.939 17.461 1.00 14.65 C ATOM 743 C PHE A 90 140.536 0.515 17.725 1.00 15.41 C ATOM 744 O PHE A 90 139.635 0.021 17.045 1.00 15.92 O ATOM 745 CB PHE A 90 139.977 2.959 17.928 1.00 14.63 C ATOM 746 CG PHE A 90 140.557 4.308 18.251 1.00 16.27 C ATOM 747 CD1 PHE A 90 140.991 5.158 17.233 1.00 16.05 C ATOM 748 CD2 PHE A 90 140.668 4.729 19.575 1.00 16.87 C ATOM 749 CE1 PHE A 90 141.549 6.393 17.538 1.00 17.09 C ATOM 750 CE2 PHE A 90 141.215 5.968 19.883 1.00 17.23 C ATOM 751 CZ PHE A 90 141.652 6.802 18.867 1.00 15.96 C ATOM 0 H PHE A 90 140.612 2.160 15.541 1.00 13.88 H new ATOM 0 HA PHE A 90 141.837 2.083 17.965 1.00 14.65 H new ATOM 0 HB2 PHE A 90 139.304 3.062 17.237 1.00 14.63 H new ATOM 0 HB3 PHE A 90 139.526 2.612 18.714 1.00 14.63 H new ATOM 0 HD1 PHE A 90 140.906 4.896 16.345 1.00 16.05 H new ATOM 0 HD2 PHE A 90 140.372 4.174 20.260 1.00 16.87 H new ATOM 0 HE1 PHE A 90 141.854 6.947 16.856 1.00 17.09 H new ATOM 0 HE2 PHE A 90 141.288 6.237 20.770 1.00 17.23 H new ATOM 0 HZ PHE A 90 142.014 7.634 19.071 1.00 15.96 H new ATOM 752 N GLY A 91 141.150 -0.132 18.709 1.00 16.04 N ATOM 753 CA GLY A 91 140.755 -1.481 19.118 1.00 17.49 C ATOM 754 C GLY A 91 139.584 -1.510 20.080 1.00 18.34 C ATOM 755 O GLY A 91 138.870 -0.517 20.252 1.00 17.43 O ATOM 0 H GLY A 91 141.806 0.195 19.159 1.00 16.04 H new ATOM 0 HA2 GLY A 91 140.527 -1.996 18.328 1.00 17.49 H new ATOM 0 HA3 GLY A 91 141.514 -1.920 19.533 1.00 17.49 H new ATOM 756 N ASN A 92 139.379 -2.664 20.715 1.00 18.16 N ATOM 757 CA ASN A 92 138.209 -2.879 21.558 1.00 18.53 C ATOM 758 C ASN A 92 138.241 -2.083 22.864 1.00 17.82 C ATOM 759 O ASN A 92 137.195 -1.832 23.468 1.00 19.01 O ATOM 760 CB ASN A 92 138.032 -4.382 21.836 1.00 20.41 C ATOM 761 CG ASN A 92 136.658 -4.724 22.377 1.00 20.33 C ATOM 762 OD1 ASN A 92 135.629 -4.301 21.841 1.00 22.81 O ATOM 763 ND2 ASN A 92 136.634 -5.514 23.448 1.00 24.74 N ATOM 0 H ASN A 92 139.911 -3.338 20.668 1.00 18.16 H new ATOM 0 HA ASN A 92 137.443 -2.545 21.065 1.00 18.53 H new ATOM 0 HB2 ASN A 92 138.184 -4.878 21.016 1.00 20.41 H new ATOM 0 HB3 ASN A 92 138.706 -4.670 22.472 1.00 20.41 H new ATOM 0 HD21 ASN A 92 135.882 -5.748 23.793 1.00 24.74 H new ATOM 0 HD22 ASN A 92 137.371 -5.790 23.795 1.00 24.74 H new ATOM 764 N ASN A 93 139.444 -1.682 23.265 1.00 17.09 N ATOM 765 CA ASN A 93 139.685 -0.908 24.479 1.00 16.55 C ATOM 766 C ASN A 93 139.661 0.613 24.271 1.00 16.87 C ATOM 767 O ASN A 93 140.029 1.369 25.175 1.00 16.70 O ATOM 768 CB ASN A 93 141.014 -1.337 25.130 1.00 16.70 C ATOM 769 CG ASN A 93 142.224 -1.088 24.241 1.00 17.50 C ATOM 770 OD1 ASN A 93 142.098 -0.661 23.089 1.00 16.71 O ATOM 771 ND2 ASN A 93 143.403 -1.355 24.773 1.00 17.22 N ATOM 0 H ASN A 93 140.162 -1.858 22.826 1.00 17.09 H new ATOM 0 HA ASN A 93 138.943 -1.106 25.072 1.00 16.55 H new ATOM 0 HB2 ASN A 93 141.129 -0.856 25.965 1.00 16.70 H new ATOM 0 HB3 ASN A 93 140.970 -2.281 25.350 1.00 16.70 H new ATOM 0 HD21 ASN A 93 144.120 -1.233 24.314 1.00 17.22 H new ATOM 0 HD22 ASN A 93 143.454 -1.651 25.579 1.00 17.22 H new ATOM 772 N SER A 94 139.231 1.050 23.082 1.00 15.44 N ATOM 773 CA SER A 94 139.156 2.482 22.733 1.00 15.71 C ATOM 774 C SER A 94 140.513 3.201 22.765 1.00 15.07 C ATOM 775 O SER A 94 140.593 4.409 23.069 1.00 14.76 O ATOM 776 CB SER A 94 138.113 3.223 23.585 1.00 16.84 C ATOM 777 OG SER A 94 136.819 2.643 23.462 1.00 17.77 O ATOM 0 H SER A 94 138.973 0.525 22.451 1.00 15.44 H new ATOM 0 HA SER A 94 138.865 2.505 21.808 1.00 15.71 H new ATOM 0 HB2 SER A 94 138.387 3.208 24.516 1.00 16.84 H new ATOM 0 HB3 SER A 94 138.077 4.154 23.314 1.00 16.84 H new ATOM 0 HG SER A 94 136.745 2.006 24.004 1.00 17.77 H new ATOM 778 N LYS A 95 141.573 2.464 22.435 1.00 14.85 N ATOM 779 CA LYS A 95 142.912 3.035 22.296 1.00 15.05 C ATOM 780 C LYS A 95 143.417 2.837 20.867 1.00 16.00 C ATOM 781 O LYS A 95 143.167 1.793 20.247 1.00 15.29 O ATOM 782 CB LYS A 95 143.888 2.402 23.298 1.00 15.53 C ATOM 783 CG LYS A 95 143.455 2.526 24.759 1.00 15.35 C ATOM 784 CD LYS A 95 143.694 3.923 25.308 1.00 15.95 C ATOM 785 CE LYS A 95 142.970 4.132 26.632 1.00 15.68 C ATOM 786 NZ LYS A 95 143.483 3.201 27.680 1.00 16.48 N ATOM 0 H LYS A 95 141.536 1.618 22.285 1.00 14.85 H new ATOM 0 HA LYS A 95 142.861 3.985 22.487 1.00 15.05 H new ATOM 0 HB2 LYS A 95 143.994 1.462 23.081 1.00 15.53 H new ATOM 0 HB3 LYS A 95 144.758 2.817 23.193 1.00 15.53 H new ATOM 0 HG2 LYS A 95 142.513 2.306 24.836 1.00 15.35 H new ATOM 0 HG3 LYS A 95 143.942 1.881 25.296 1.00 15.35 H new ATOM 0 HD2 LYS A 95 144.645 4.065 25.432 1.00 15.95 H new ATOM 0 HD3 LYS A 95 143.390 4.582 24.664 1.00 15.95 H new ATOM 0 HE2 LYS A 95 143.086 5.049 26.926 1.00 15.68 H new ATOM 0 HE3 LYS A 95 142.018 3.992 26.509 1.00 15.68 H new ATOM 0 HZ1 LYS A 95 143.432 3.594 28.477 1.00 16.48 H new ATOM 0 HZ2 LYS A 95 142.992 2.458 27.684 1.00 16.48 H new ATOM 0 HZ3 LYS A 95 144.331 2.995 27.505 1.00 16.48 H new ATOM 787 N ALA A 96 144.131 3.830 20.342 1.00 14.42 N ATOM 788 CA ALA A 96 144.676 3.720 18.992 1.00 15.85 C ATOM 789 C ALA A 96 145.846 2.740 18.975 1.00 15.90 C ATOM 790 O ALA A 96 146.727 2.794 19.831 1.00 17.81 O ATOM 791 CB ALA A 96 145.102 5.084 18.461 1.00 15.12 C ATOM 0 H ALA A 96 144.310 4.568 20.746 1.00 14.42 H new ATOM 0 HA ALA A 96 143.980 3.381 18.407 1.00 15.85 H new ATOM 0 HB1 ALA A 96 145.460 4.985 17.565 1.00 15.12 H new ATOM 0 HB2 ALA A 96 144.335 5.677 18.439 1.00 15.12 H new ATOM 0 HB3 ALA A 96 145.783 5.459 19.041 1.00 15.12 H new ATOM 792 N VAL A 97 145.849 1.843 17.993 1.00 15.54 N ATOM 793 CA VAL A 97 146.926 0.868 17.854 1.00 15.69 C ATOM 794 C VAL A 97 148.229 1.500 17.336 1.00 16.60 C ATOM 795 O VAL A 97 148.209 2.524 16.651 1.00 16.13 O ATOM 796 CB VAL A 97 146.500 -0.339 16.977 1.00 15.42 C ATOM 797 CG1 VAL A 97 145.356 -1.097 17.643 1.00 17.86 C ATOM 798 CG2 VAL A 97 146.097 0.109 15.572 1.00 16.30 C ATOM 0 H VAL A 97 145.234 1.782 17.395 1.00 15.54 H new ATOM 0 HA VAL A 97 147.109 0.535 18.746 1.00 15.69 H new ATOM 0 HB VAL A 97 147.263 -0.932 16.892 1.00 15.42 H new ATOM 0 HG11 VAL A 97 145.098 -1.849 17.087 1.00 17.86 H new ATOM 0 HG12 VAL A 97 145.644 -1.421 18.511 1.00 17.86 H new ATOM 0 HG13 VAL A 97 144.597 -0.504 17.756 1.00 17.86 H new ATOM 0 HG21 VAL A 97 145.836 -0.664 15.048 1.00 16.30 H new ATOM 0 HG22 VAL A 97 145.351 0.726 15.630 1.00 16.30 H new ATOM 0 HG23 VAL A 97 146.848 0.550 15.145 1.00 16.30 H new ATOM 799 N THR A 98 149.364 0.899 17.690 1.00 16.75 N ATOM 800 CA THR A 98 150.665 1.344 17.171 1.00 17.00 C ATOM 801 C THR A 98 151.455 0.167 16.596 1.00 18.32 C ATOM 802 O THR A 98 151.148 -0.994 16.881 1.00 18.31 O ATOM 803 CB THR A 98 151.515 2.048 18.249 1.00 19.05 C ATOM 804 OG1 THR A 98 151.791 1.128 19.314 1.00 19.99 O ATOM 805 CG2 THR A 98 150.778 3.281 18.819 1.00 19.25 C ATOM 0 H THR A 98 149.406 0.231 18.230 1.00 16.75 H new ATOM 0 HA THR A 98 150.476 1.985 16.468 1.00 17.00 H new ATOM 0 HB THR A 98 152.343 2.345 17.840 1.00 19.05 H new ATOM 0 HG1 THR A 98 152.580 0.849 19.246 1.00 19.99 H new ATOM 0 HG21 THR A 98 151.331 3.706 19.493 1.00 19.25 H new ATOM 0 HG22 THR A 98 150.600 3.911 18.103 1.00 19.25 H new ATOM 0 HG23 THR A 98 149.940 3.001 19.219 1.00 19.25 H new ATOM 806 N GLY A 99 152.478 0.488 15.807 1.00 16.79 N ATOM 807 CA GLY A 99 153.319 -0.508 15.139 1.00 17.55 C ATOM 808 C GLY A 99 152.646 -1.213 13.977 1.00 18.33 C ATOM 809 O GLY A 99 151.639 -0.738 13.438 1.00 17.34 O ATOM 0 H GLY A 99 152.707 1.300 15.642 1.00 16.79 H new ATOM 0 HA2 GLY A 99 154.124 -0.073 14.817 1.00 17.55 H new ATOM 0 HA3 GLY A 99 153.596 -1.172 15.790 1.00 17.55 H new ATOM 810 N TRP A 100 153.200 -2.367 13.607 1.00 17.44 N ATOM 811 CA TRP A 100 152.659 -3.171 12.519 1.00 17.22 C ATOM 812 C TRP A 100 151.334 -3.793 12.944 1.00 17.43 C ATOM 813 O TRP A 100 151.223 -4.352 14.047 1.00 18.50 O ATOM 814 CB TRP A 100 153.648 -4.270 12.125 1.00 17.55 C ATOM 815 CG TRP A 100 154.922 -3.786 11.499 1.00 18.19 C ATOM 816 CD1 TRP A 100 156.160 -3.744 12.077 1.00 18.61 C ATOM 817 CD2 TRP A 100 155.087 -3.305 10.162 1.00 17.83 C ATOM 818 NE1 TRP A 100 157.082 -3.250 11.186 1.00 20.24 N ATOM 819 CE2 TRP A 100 156.451 -2.976 10.001 1.00 18.51 C ATOM 820 CE3 TRP A 100 154.212 -3.121 9.082 1.00 17.95 C ATOM 821 CZ2 TRP A 100 156.964 -2.463 8.800 1.00 18.63 C ATOM 822 CZ3 TRP A 100 154.718 -2.612 7.891 1.00 17.64 C ATOM 823 CH2 TRP A 100 156.087 -2.288 7.762 1.00 18.32 C ATOM 0 H TRP A 100 153.898 -2.703 13.980 1.00 17.44 H new ATOM 0 HA TRP A 100 152.511 -2.597 11.751 1.00 17.22 H new ATOM 0 HB2 TRP A 100 153.869 -4.786 12.916 1.00 17.55 H new ATOM 0 HB3 TRP A 100 153.209 -4.874 11.506 1.00 17.55 H new ATOM 0 HD1 TRP A 100 156.351 -4.011 12.947 1.00 18.61 H new ATOM 0 HE1 TRP A 100 157.919 -3.132 11.346 1.00 20.24 H new ATOM 0 HE3 TRP A 100 153.310 -3.335 9.161 1.00 17.95 H new ATOM 0 HZ2 TRP A 100 157.865 -2.250 8.712 1.00 18.63 H new ATOM 0 HZ3 TRP A 100 154.147 -2.483 7.169 1.00 17.64 H new ATOM 0 HH2 TRP A 100 156.400 -1.948 6.955 1.00 18.32 H new ATOM 824 N GLN A 101 150.330 -3.676 12.081 1.00 16.03 N ATOM 825 CA GLN A 101 149.003 -4.234 12.332 1.00 16.52 C ATOM 826 C GLN A 101 148.425 -4.786 11.044 1.00 18.71 C ATOM 827 O GLN A 101 148.614 -4.213 9.969 1.00 20.00 O ATOM 828 CB GLN A 101 148.037 -3.172 12.887 1.00 16.88 C ATOM 829 CG GLN A 101 148.479 -2.511 14.190 1.00 16.67 C ATOM 830 CD GLN A 101 148.350 -3.430 15.387 1.00 18.30 C ATOM 831 OE1 GLN A 101 147.522 -4.341 15.392 1.00 19.03 O ATOM 832 NE2 GLN A 101 149.160 -3.185 16.420 1.00 17.14 N ATOM 0 H GLN A 101 150.399 -3.268 11.327 1.00 16.03 H new ATOM 0 HA GLN A 101 149.103 -4.939 12.990 1.00 16.52 H new ATOM 0 HB2 GLN A 101 147.916 -2.482 12.216 1.00 16.88 H new ATOM 0 HB3 GLN A 101 147.171 -3.585 13.028 1.00 16.88 H new ATOM 0 HG2 GLN A 101 149.402 -2.224 14.106 1.00 16.67 H new ATOM 0 HG3 GLN A 101 147.947 -1.714 14.340 1.00 16.67 H new ATOM 0 HE21 GLN A 101 149.726 -2.539 16.379 1.00 17.14 H new ATOM 0 HE22 GLN A 101 149.116 -3.673 17.126 1.00 17.14 H new ATOM 833 N THR A 102 147.712 -5.897 11.163 1.00 17.55 N ATOM 834 CA THR A 102 146.937 -6.426 10.053 1.00 18.31 C ATOM 835 C THR A 102 145.454 -6.190 10.339 1.00 17.81 C ATOM 836 O THR A 102 144.921 -6.656 11.351 1.00 19.86 O ATOM 837 CB THR A 102 147.270 -7.916 9.797 1.00 18.57 C ATOM 838 OG1 THR A 102 148.683 -8.047 9.597 1.00 20.03 O ATOM 839 CG2 THR A 102 146.526 -8.444 8.557 1.00 21.98 C ATOM 0 H THR A 102 147.664 -6.363 11.885 1.00 17.55 H new ATOM 0 HA THR A 102 147.169 -5.962 9.233 1.00 18.31 H new ATOM 0 HB THR A 102 146.987 -8.436 10.565 1.00 18.57 H new ATOM 0 HG1 THR A 102 149.084 -7.891 10.318 1.00 20.03 H new ATOM 0 HG21 THR A 102 146.750 -9.377 8.418 1.00 21.98 H new ATOM 0 HG22 THR A 102 145.569 -8.359 8.693 1.00 21.98 H new ATOM 0 HG23 THR A 102 146.789 -7.929 7.778 1.00 21.98 H new ATOM 840 N ILE A 103 144.796 -5.427 9.467 1.00 14.50 N ATOM 841 CA ILE A 103 143.375 -5.093 9.619 1.00 15.79 C ATOM 842 C ILE A 103 142.610 -5.423 8.333 1.00 16.36 C ATOM 843 O ILE A 103 142.922 -4.894 7.264 1.00 16.22 O ATOM 844 CB ILE A 103 143.159 -3.597 9.965 1.00 16.39 C ATOM 845 CG1 ILE A 103 143.988 -3.187 11.191 1.00 17.08 C ATOM 846 CG2 ILE A 103 141.677 -3.313 10.196 1.00 15.06 C ATOM 847 CD1 ILE A 103 144.278 -1.692 11.282 1.00 17.33 C ATOM 0 H ILE A 103 145.161 -5.086 8.767 1.00 14.50 H new ATOM 0 HA ILE A 103 143.038 -5.627 10.355 1.00 15.79 H new ATOM 0 HB ILE A 103 143.462 -3.066 9.212 1.00 16.39 H new ATOM 0 HG12 ILE A 103 143.518 -3.464 11.993 1.00 17.08 H new ATOM 0 HG13 ILE A 103 144.830 -3.669 11.175 1.00 17.08 H new ATOM 0 HG21 ILE A 103 141.557 -2.375 10.411 1.00 15.06 H new ATOM 0 HG22 ILE A 103 141.177 -3.527 9.393 1.00 15.06 H new ATOM 0 HG23 ILE A 103 141.354 -3.857 10.931 1.00 15.06 H new ATOM 0 HD11 ILE A 103 144.803 -1.512 12.078 1.00 17.33 H new ATOM 0 HD12 ILE A 103 144.774 -1.410 10.498 1.00 17.33 H new ATOM 0 HD13 ILE A 103 143.442 -1.202 11.329 1.00 17.33 H new ATOM 848 N ASN A 104 141.617 -6.308 8.454 1.00 18.33 N ATOM 849 CA ASN A 104 140.806 -6.769 7.321 1.00 21.32 C ATOM 850 C ASN A 104 141.672 -7.349 6.192 1.00 19.59 C ATOM 851 O ASN A 104 141.344 -7.222 5.007 1.00 21.36 O ATOM 852 CB ASN A 104 139.873 -5.657 6.789 1.00 24.32 C ATOM 853 CG ASN A 104 139.025 -5.014 7.881 1.00 31.86 C ATOM 854 OD1 ASN A 104 138.559 -5.681 8.810 1.00 35.20 O ATOM 855 ND2 ASN A 104 138.810 -3.704 7.763 1.00 36.93 N ATOM 0 H ASN A 104 141.392 -6.662 9.205 1.00 18.33 H new ATOM 0 HA ASN A 104 140.246 -7.486 7.656 1.00 21.32 H new ATOM 0 HB2 ASN A 104 140.408 -4.973 6.357 1.00 24.32 H new ATOM 0 HB3 ASN A 104 139.288 -6.030 6.111 1.00 24.32 H new ATOM 0 HD21 ASN A 104 138.331 -3.293 8.347 1.00 36.93 H new ATOM 0 HD22 ASN A 104 139.150 -3.270 7.103 1.00 36.93 H new ATOM 856 N GLY A 105 142.780 -7.981 6.571 1.00 18.89 N ATOM 857 CA GLY A 105 143.649 -8.647 5.608 1.00 17.54 C ATOM 858 C GLY A 105 144.799 -7.810 5.080 1.00 16.58 C ATOM 859 O GLY A 105 145.699 -8.350 4.448 1.00 17.71 O ATOM 0 H GLY A 105 143.047 -8.035 7.387 1.00 18.89 H new ATOM 0 HA2 GLY A 105 144.013 -9.445 6.022 1.00 17.54 H new ATOM 0 HA3 GLY A 105 143.110 -8.939 4.856 1.00 17.54 H new ATOM 860 N ASN A 106 144.778 -6.499 5.358 1.00 15.11 N ATOM 861 CA ASN A 106 145.801 -5.546 4.898 1.00 15.47 C ATOM 862 C ASN A 106 146.781 -5.152 6.012 1.00 15.75 C ATOM 863 O ASN A 106 146.373 -5.027 7.169 1.00 16.38 O ATOM 864 CB ASN A 106 145.125 -4.262 4.382 1.00 14.83 C ATOM 865 CG ASN A 106 144.308 -4.485 3.125 1.00 15.26 C ATOM 866 OD1 ASN A 106 144.770 -5.118 2.181 1.00 15.69 O ATOM 867 ND2 ASN A 106 143.093 -3.952 3.104 1.00 14.25 N ATOM 0 H ASN A 106 144.158 -6.132 5.828 1.00 15.11 H new ATOM 0 HA ASN A 106 146.298 -5.990 4.193 1.00 15.47 H new ATOM 0 HB2 ASN A 106 144.550 -3.904 5.076 1.00 14.83 H new ATOM 0 HB3 ASN A 106 145.805 -3.593 4.205 1.00 14.83 H new ATOM 0 HD21 ASN A 106 142.595 -4.044 2.409 1.00 14.25 H new ATOM 0 HD22 ASN A 106 142.803 -3.515 3.786 1.00 14.25 H new ATOM 868 N MET A 107 148.052 -4.944 5.663 1.00 15.19 N ATOM 869 CA MET A 107 149.078 -4.519 6.637 1.00 15.86 C ATOM 870 C MET A 107 149.265 -3.001 6.669 1.00 17.11 C ATOM 871 O MET A 107 149.307 -2.344 5.624 1.00 16.07 O ATOM 872 CB MET A 107 150.418 -5.213 6.372 1.00 18.11 C ATOM 873 CG MET A 107 151.428 -5.090 7.514 1.00 22.75 C ATOM 874 SD MET A 107 152.992 -5.944 7.216 1.00 31.23 S ATOM 875 CE MET A 107 152.416 -7.602 6.840 1.00 26.48 C ATOM 0 H MET A 107 148.348 -5.043 4.862 1.00 15.19 H new ATOM 0 HA MET A 107 148.753 -4.790 7.510 1.00 15.86 H new ATOM 0 HB2 MET A 107 150.254 -6.153 6.199 1.00 18.11 H new ATOM 0 HB3 MET A 107 150.809 -4.840 5.567 1.00 18.11 H new ATOM 0 HG2 MET A 107 151.609 -4.150 7.672 1.00 22.75 H new ATOM 0 HG3 MET A 107 151.028 -5.442 8.325 1.00 22.75 H new ATOM 0 HE1 MET A 107 153.157 -8.225 6.905 1.00 26.48 H new ATOM 0 HE2 MET A 107 151.725 -7.856 7.471 1.00 26.48 H new ATOM 0 HE3 MET A 107 152.055 -7.623 5.940 1.00 26.48 H new ATOM 876 N TYR A 108 149.384 -2.472 7.889 1.00 15.28 N ATOM 877 CA TYR A 108 149.588 -1.047 8.155 1.00 15.46 C ATOM 878 C TYR A 108 150.776 -0.902 9.091 1.00 15.45 C ATOM 879 O TYR A 108 151.149 -1.863 9.771 1.00 14.39 O ATOM 880 CB TYR A 108 148.361 -0.477 8.879 1.00 14.45 C ATOM 881 CG TYR A 108 147.071 -0.479 8.091 1.00 15.87 C ATOM 882 CD1 TYR A 108 146.290 -1.640 7.985 1.00 14.57 C ATOM 883 CD2 TYR A 108 146.605 0.688 7.478 1.00 14.83 C ATOM 884 CE1 TYR A 108 145.105 -1.645 7.263 1.00 15.82 C ATOM 885 CE2 TYR A 108 145.421 0.690 6.761 1.00 15.47 C ATOM 886 CZ TYR A 108 144.675 -0.476 6.654 1.00 14.17 C ATOM 887 OH TYR A 108 143.495 -0.473 5.945 1.00 15.10 O ATOM 0 H TYR A 108 149.347 -2.947 8.605 1.00 15.28 H new ATOM 0 HA TYR A 108 149.733 -0.579 7.318 1.00 15.46 H new ATOM 0 HB2 TYR A 108 148.223 -0.985 9.694 1.00 14.45 H new ATOM 0 HB3 TYR A 108 148.557 0.436 9.143 1.00 14.45 H new ATOM 0 HD1 TYR A 108 146.572 -2.420 8.406 1.00 14.57 H new ATOM 0 HD2 TYR A 108 147.097 1.474 7.553 1.00 14.83 H new ATOM 0 HE1 TYR A 108 144.604 -2.425 7.188 1.00 15.82 H new ATOM 0 HE2 TYR A 108 145.126 1.471 6.352 1.00 15.47 H new ATOM 0 HH TYR A 108 143.371 0.287 5.610 1.00 15.10 H new ATOM 888 N TYR A 109 151.370 0.291 9.137 1.00 14.73 N ATOM 889 CA TYR A 109 152.291 0.640 10.209 1.00 16.58 C ATOM 890 C TYR A 109 151.864 1.961 10.847 1.00 16.15 C ATOM 891 O TYR A 109 151.888 3.011 10.195 1.00 16.35 O ATOM 892 CB TYR A 109 153.732 0.739 9.719 1.00 16.80 C ATOM 893 CG TYR A 109 154.709 0.989 10.844 1.00 18.27 C ATOM 894 CD1 TYR A 109 155.142 -0.054 11.657 1.00 18.23 C ATOM 895 CD2 TYR A 109 155.174 2.276 11.117 1.00 17.80 C ATOM 896 CE1 TYR A 109 156.031 0.173 12.696 1.00 19.79 C ATOM 897 CE2 TYR A 109 156.067 2.505 12.155 1.00 19.66 C ATOM 898 CZ TYR A 109 156.485 1.448 12.941 1.00 18.72 C ATOM 899 OH TYR A 109 157.376 1.669 13.976 1.00 20.84 O ATOM 0 H TYR A 109 151.250 0.911 8.554 1.00 14.73 H new ATOM 0 HA TYR A 109 152.257 -0.071 10.868 1.00 16.58 H new ATOM 0 HB2 TYR A 109 153.972 -0.082 9.262 1.00 16.80 H new ATOM 0 HB3 TYR A 109 153.801 1.456 9.069 1.00 16.80 H new ATOM 0 HD1 TYR A 109 154.830 -0.916 11.501 1.00 18.23 H new ATOM 0 HD2 TYR A 109 154.882 2.990 10.597 1.00 17.80 H new ATOM 0 HE1 TYR A 109 156.320 -0.535 13.226 1.00 19.79 H new ATOM 0 HE2 TYR A 109 156.382 3.364 12.320 1.00 19.66 H new ATOM 0 HH TYR A 109 157.756 0.948 14.178 1.00 20.84 H new ATOM 900 N PHE A 110 151.462 1.887 12.112 1.00 14.52 N ATOM 901 CA PHE A 110 151.056 3.074 12.867 1.00 14.12 C ATOM 902 C PHE A 110 152.240 3.604 13.678 1.00 15.96 C ATOM 903 O PHE A 110 152.781 2.890 14.531 1.00 14.75 O ATOM 904 CB PHE A 110 149.841 2.743 13.747 1.00 13.89 C ATOM 905 CG PHE A 110 148.613 2.363 12.960 1.00 14.68 C ATOM 906 CD1 PHE A 110 147.761 3.344 12.453 1.00 14.16 C ATOM 907 CD2 PHE A 110 148.306 1.018 12.711 1.00 14.78 C ATOM 908 CE1 PHE A 110 146.634 2.998 11.719 1.00 14.16 C ATOM 909 CE2 PHE A 110 147.176 0.670 11.978 1.00 15.58 C ATOM 910 CZ PHE A 110 146.337 1.663 11.482 1.00 15.45 C ATOM 0 H PHE A 110 151.416 1.152 12.557 1.00 14.52 H new ATOM 0 HA PHE A 110 150.786 3.779 12.258 1.00 14.12 H new ATOM 0 HB2 PHE A 110 150.072 2.014 14.344 1.00 13.89 H new ATOM 0 HB3 PHE A 110 149.635 3.511 14.303 1.00 13.89 H new ATOM 0 HD1 PHE A 110 147.950 4.241 12.608 1.00 14.16 H new ATOM 0 HD2 PHE A 110 148.864 0.351 13.040 1.00 14.78 H new ATOM 0 HE1 PHE A 110 146.076 3.663 11.385 1.00 14.16 H new ATOM 0 HE2 PHE A 110 146.982 -0.226 11.820 1.00 15.58 H new ATOM 0 HZ PHE A 110 145.580 1.433 10.993 1.00 15.45 H new ATOM 911 N MET A 111 152.648 4.846 13.391 1.00 15.79 N ATOM 912 CA MET A 111 153.823 5.464 14.029 1.00 18.08 C ATOM 913 C MET A 111 153.711 5.437 15.556 1.00 18.67 C ATOM 914 O MET A 111 152.700 5.869 16.107 1.00 17.45 O ATOM 915 CB MET A 111 154.017 6.923 13.569 1.00 21.30 C ATOM 916 CG MET A 111 154.227 7.129 12.074 1.00 23.26 C ATOM 917 SD MET A 111 155.623 6.237 11.368 1.00 29.11 S ATOM 918 CE MET A 111 156.964 6.672 12.467 1.00 30.04 C ATOM 0 H MET A 111 152.253 5.355 12.821 1.00 15.79 H new ATOM 0 HA MET A 111 154.591 4.939 13.755 1.00 18.08 H new ATOM 0 HB2 MET A 111 153.240 7.436 13.842 1.00 21.30 H new ATOM 0 HB3 MET A 111 154.781 7.293 14.039 1.00 21.30 H new ATOM 0 HG2 MET A 111 153.420 6.860 11.608 1.00 23.26 H new ATOM 0 HG3 MET A 111 154.348 8.077 11.906 1.00 23.26 H new ATOM 0 HE1 MET A 111 157.808 6.412 12.066 1.00 30.04 H new ATOM 0 HE2 MET A 111 156.960 7.630 12.619 1.00 30.04 H new ATOM 0 HE3 MET A 111 156.852 6.210 13.313 1.00 30.04 H new ATOM 919 N PRO A 112 154.746 4.926 16.246 1.00 19.97 N ATOM 920 CA PRO A 112 154.680 4.826 17.711 1.00 20.75 C ATOM 921 C PRO A 112 154.486 6.160 18.438 1.00 20.18 C ATOM 922 O PRO A 112 153.837 6.193 19.485 1.00 20.66 O ATOM 923 CB PRO A 112 156.032 4.202 18.079 1.00 23.76 C ATOM 924 CG PRO A 112 156.393 3.395 16.876 1.00 24.05 C ATOM 925 CD PRO A 112 155.925 4.220 15.707 1.00 22.94 C ATOM 0 HA PRO A 112 153.905 4.310 17.984 1.00 20.75 H new ATOM 0 HB2 PRO A 112 156.699 4.882 18.265 1.00 23.76 H new ATOM 0 HB3 PRO A 112 155.964 3.648 18.872 1.00 23.76 H new ATOM 0 HG2 PRO A 112 157.349 3.234 16.834 1.00 24.05 H new ATOM 0 HG3 PRO A 112 155.960 2.527 16.891 1.00 24.05 H new ATOM 0 HD2 PRO A 112 156.609 4.840 15.409 1.00 22.94 H new ATOM 0 HD3 PRO A 112 155.694 3.665 14.946 1.00 22.94 H new ATOM 926 N ASP A 113 155.027 7.247 17.895 1.00 21.01 N ATOM 927 CA ASP A 113 154.926 8.544 18.584 1.00 21.16 C ATOM 928 C ASP A 113 153.616 9.322 18.369 1.00 18.58 C ATOM 929 O ASP A 113 153.299 10.214 19.161 1.00 17.20 O ATOM 930 CB ASP A 113 156.141 9.428 18.282 1.00 25.16 C ATOM 931 CG ASP A 113 156.369 9.639 16.791 1.00 30.19 C ATOM 932 OD1 ASP A 113 155.699 8.980 15.961 1.00 34.47 O ATOM 933 OD2 ASP A 113 157.238 10.469 16.450 1.00 39.82 O ATOM 0 H ASP A 113 155.449 7.263 17.146 1.00 21.01 H new ATOM 0 HA ASP A 113 154.914 8.309 19.525 1.00 21.16 H new ATOM 0 HB2 ASP A 113 156.022 10.290 18.711 1.00 25.16 H new ATOM 0 HB3 ASP A 113 156.933 9.025 18.671 1.00 25.16 H new ATOM 934 N THR A 114 152.863 8.991 17.316 1.00 15.87 N ATOM 935 CA THR A 114 151.617 9.717 16.985 1.00 14.62 C ATOM 936 C THR A 114 150.384 8.821 16.802 1.00 13.96 C ATOM 937 O THR A 114 149.252 9.304 16.800 1.00 13.72 O ATOM 938 CB THR A 114 151.768 10.519 15.678 1.00 16.31 C ATOM 939 OG1 THR A 114 151.950 9.607 14.584 1.00 15.22 O ATOM 940 CG2 THR A 114 152.972 11.466 15.755 1.00 17.91 C ATOM 0 H THR A 114 153.052 8.349 16.776 1.00 15.87 H new ATOM 0 HA THR A 114 151.475 10.290 17.755 1.00 14.62 H new ATOM 0 HB THR A 114 150.967 11.049 15.544 1.00 16.31 H new ATOM 0 HG1 THR A 114 152.381 9.987 13.971 1.00 15.22 H new ATOM 0 HG21 THR A 114 153.049 11.960 14.924 1.00 17.91 H new ATOM 0 HG22 THR A 114 152.849 12.087 16.490 1.00 17.91 H new ATOM 0 HG23 THR A 114 153.781 10.950 15.900 1.00 17.91 H new ATOM 941 N ALA A 115 150.620 7.521 16.617 1.00 14.09 N ATOM 942 CA ALA A 115 149.581 6.541 16.265 1.00 13.48 C ATOM 943 C ALA A 115 149.018 6.722 14.848 1.00 12.92 C ATOM 944 O ALA A 115 148.050 6.067 14.479 1.00 12.62 O ATOM 945 CB ALA A 115 148.455 6.511 17.301 1.00 14.34 C ATOM 0 H ALA A 115 151.403 7.174 16.693 1.00 14.09 H new ATOM 0 HA ALA A 115 150.027 5.680 16.272 1.00 13.48 H new ATOM 0 HB1 ALA A 115 147.790 5.856 17.037 1.00 14.34 H new ATOM 0 HB2 ALA A 115 148.819 6.271 18.168 1.00 14.34 H new ATOM 0 HB3 ALA A 115 148.042 7.387 17.355 1.00 14.34 H new ATOM 946 N MET A 116 149.628 7.602 14.050 1.00 14.05 N ATOM 947 CA MET A 116 149.138 7.850 12.688 1.00 12.92 C ATOM 948 C MET A 116 149.710 6.821 11.723 1.00 12.58 C ATOM 949 O MET A 116 150.897 6.499 11.789 1.00 13.21 O ATOM 950 CB MET A 116 149.564 9.242 12.202 1.00 14.08 C ATOM 951 CG MET A 116 148.959 10.403 12.962 1.00 14.81 C ATOM 952 SD MET A 116 149.730 11.935 12.378 1.00 17.99 S ATOM 953 CE MET A 116 149.056 13.083 13.580 1.00 18.92 C ATOM 0 H MET A 116 150.320 8.062 14.274 1.00 14.05 H new ATOM 0 HA MET A 116 148.170 7.789 12.711 1.00 12.92 H new ATOM 0 HB2 MET A 116 150.530 9.306 12.257 1.00 14.08 H new ATOM 0 HB3 MET A 116 149.327 9.328 11.265 1.00 14.08 H new ATOM 0 HG2 MET A 116 148.000 10.434 12.823 1.00 14.81 H new ATOM 0 HG3 MET A 116 149.104 10.294 13.915 1.00 14.81 H new ATOM 0 HE1 MET A 116 149.411 13.970 13.415 1.00 18.92 H new ATOM 0 HE2 MET A 116 148.089 13.102 13.502 1.00 18.92 H new ATOM 0 HE3 MET A 116 149.303 12.798 14.474 1.00 18.92 H new ATOM 954 N ALA A 117 148.874 6.318 10.822 1.00 13.06 N ATOM 955 CA ALA A 117 149.344 5.381 9.792 1.00 13.04 C ATOM 956 C ALA A 117 150.378 6.018 8.865 1.00 13.99 C ATOM 957 O ALA A 117 150.186 7.140 8.390 1.00 14.38 O ATOM 958 CB ALA A 117 148.169 4.873 8.969 1.00 13.50 C ATOM 0 H ALA A 117 148.035 6.502 10.785 1.00 13.06 H new ATOM 0 HA ALA A 117 149.771 4.640 10.251 1.00 13.04 H new ATOM 0 HB1 ALA A 117 148.490 4.256 8.293 1.00 13.50 H new ATOM 0 HB2 ALA A 117 147.540 4.417 9.550 1.00 13.50 H new ATOM 0 HB3 ALA A 117 147.727 5.622 8.539 1.00 13.50 H new ATOM 959 N ALA A 118 151.466 5.291 8.599 1.00 12.73 N ATOM 960 CA ALA A 118 152.370 5.644 7.499 1.00 13.90 C ATOM 961 C ALA A 118 151.560 5.589 6.206 1.00 14.79 C ATOM 962 O ALA A 118 150.870 4.604 5.939 1.00 15.48 O ATOM 963 CB ALA A 118 153.543 4.686 7.444 1.00 13.85 C ATOM 0 H ALA A 118 151.698 4.591 9.042 1.00 12.73 H new ATOM 0 HA ALA A 118 152.735 6.533 7.629 1.00 13.90 H new ATOM 0 HB1 ALA A 118 154.129 4.934 6.712 1.00 13.85 H new ATOM 0 HB2 ALA A 118 154.034 4.727 8.279 1.00 13.85 H new ATOM 0 HB3 ALA A 118 153.217 3.783 7.305 1.00 13.85 H new ATOM 964 N ALA A 119 151.596 6.667 5.427 1.00 14.63 N ATOM 965 CA ALA A 119 150.724 6.788 4.266 1.00 15.70 C ATOM 966 C ALA A 119 151.292 7.728 3.217 1.00 17.59 C ATOM 967 O ALA A 119 151.936 8.720 3.550 1.00 19.11 O ATOM 968 CB ALA A 119 149.344 7.272 4.690 1.00 16.46 C ATOM 0 H ALA A 119 152.118 7.338 5.555 1.00 14.63 H new ATOM 0 HA ALA A 119 150.656 5.906 3.869 1.00 15.70 H new ATOM 0 HB1 ALA A 119 148.774 7.348 3.909 1.00 16.46 H new ATOM 0 HB2 ALA A 119 148.956 6.638 5.313 1.00 16.46 H new ATOM 0 HB3 ALA A 119 149.422 8.139 5.119 1.00 16.46 H new ATOM 969 N GLY A 120 151.043 7.397 1.952 1.00 19.39 N ATOM 970 CA GLY A 120 151.287 8.317 0.842 1.00 22.42 C ATOM 971 C GLY A 120 152.724 8.417 0.377 1.00 24.54 C ATOM 972 O GLY A 120 153.143 9.477 -0.109 1.00 24.82 O ATOM 0 H GLY A 120 150.728 6.633 1.713 1.00 19.39 H new ATOM 0 HA2 GLY A 120 150.739 8.043 0.090 1.00 22.42 H new ATOM 0 HA3 GLY A 120 150.987 9.201 1.104 1.00 22.42 H new ATOM 973 N GLY A 121 153.474 7.322 0.505 1.00 23.36 N ATOM 974 CA GLY A 121 154.852 7.277 0.022 1.00 25.93 C ATOM 975 C GLY A 121 155.753 6.223 0.639 1.00 25.89 C ATOM 976 O GLY A 121 155.284 5.246 1.245 1.00 24.68 O ATOM 0 H GLY A 121 153.201 6.593 0.870 1.00 23.36 H new ATOM 0 HA2 GLY A 121 154.833 7.136 -0.937 1.00 25.93 H new ATOM 0 HA3 GLY A 121 155.255 8.146 0.173 1.00 25.93 H new ATOM 977 N LEU A 122 157.058 6.428 0.473 1.00 27.72 N ATOM 978 CA LEU A 122 158.074 5.514 0.976 1.00 28.38 C ATOM 979 C LEU A 122 158.446 5.874 2.409 1.00 27.17 C ATOM 980 O LEU A 122 158.719 7.041 2.715 1.00 27.54 O ATOM 981 CB LEU A 122 159.323 5.552 0.080 1.00 32.11 C ATOM 982 CG LEU A 122 159.360 4.828 -1.276 1.00 36.87 C ATOM 983 CD1 LEU A 122 158.290 5.314 -2.243 1.00 39.39 C ATOM 984 CD2 LEU A 122 160.737 4.990 -1.911 1.00 39.32 C ATOM 0 H LEU A 122 157.379 7.110 0.060 1.00 27.72 H new ATOM 0 HA LEU A 122 157.711 4.615 0.963 1.00 28.38 H new ATOM 0 HB2 LEU A 122 159.517 6.486 -0.094 1.00 32.11 H new ATOM 0 HB3 LEU A 122 160.059 5.202 0.607 1.00 32.11 H new ATOM 0 HG LEU A 122 159.176 3.892 -1.099 1.00 36.87 H new ATOM 0 HD11 LEU A 122 158.361 4.824 -3.077 1.00 39.39 H new ATOM 0 HD12 LEU A 122 157.413 5.167 -1.856 1.00 39.39 H new ATOM 0 HD13 LEU A 122 158.413 6.261 -2.413 1.00 39.39 H new ATOM 0 HD21 LEU A 122 160.755 4.532 -2.766 1.00 39.32 H new ATOM 0 HD22 LEU A 122 160.923 5.932 -2.046 1.00 39.32 H new ATOM 0 HD23 LEU A 122 161.410 4.609 -1.326 1.00 39.32 H new ATOM 985 N PHE A 123 158.446 4.871 3.286 1.00 27.29 N ATOM 986 CA PHE A 123 158.806 5.055 4.692 1.00 27.85 C ATOM 987 C PHE A 123 159.880 4.059 5.130 1.00 30.75 C ATOM 988 O PHE A 123 159.775 2.855 4.860 1.00 30.90 O ATOM 989 CB PHE A 123 157.572 4.911 5.602 1.00 27.72 C ATOM 990 CG PHE A 123 156.610 6.072 5.533 1.00 28.15 C ATOM 991 CD1 PHE A 123 155.689 6.177 4.494 1.00 27.50 C ATOM 992 CD2 PHE A 123 156.619 7.062 6.519 1.00 29.74 C ATOM 993 CE1 PHE A 123 154.804 7.242 4.430 1.00 27.92 C ATOM 994 CE2 PHE A 123 155.733 8.129 6.460 1.00 29.52 C ATOM 995 CZ PHE A 123 154.826 8.223 5.414 1.00 30.33 C ATOM 0 H PHE A 123 158.237 4.062 3.082 1.00 27.29 H new ATOM 0 HA PHE A 123 159.162 5.953 4.778 1.00 27.85 H new ATOM 0 HB2 PHE A 123 157.100 4.098 5.362 1.00 27.72 H new ATOM 0 HB3 PHE A 123 157.870 4.806 6.519 1.00 27.72 H new ATOM 0 HD1 PHE A 123 155.667 5.523 3.833 1.00 27.50 H new ATOM 0 HD2 PHE A 123 157.225 7.005 7.222 1.00 29.74 H new ATOM 0 HE1 PHE A 123 154.196 7.300 3.729 1.00 27.92 H new ATOM 0 HE2 PHE A 123 155.747 8.782 7.122 1.00 29.52 H new ATOM 0 HZ PHE A 123 154.235 8.940 5.372 1.00 30.33 H new ATOM 996 N GLU A 124 160.908 4.562 5.812 1.00 31.55 N ATOM 997 CA GLU A 124 161.933 3.701 6.391 1.00 32.79 C ATOM 998 C GLU A 124 161.560 3.310 7.817 1.00 31.63 C ATOM 999 O GLU A 124 161.444 4.164 8.705 1.00 28.74 O ATOM 1000 CB GLU A 124 163.312 4.373 6.354 1.00 38.81 C ATOM 1001 CG GLU A 124 164.461 3.432 6.696 1.00 41.76 C ATOM 1002 CD GLU A 124 165.832 4.073 6.559 1.00 49.40 C ATOM 1003 OE1 GLU A 124 166.825 3.419 6.942 1.00 53.14 O ATOM 1004 OE2 GLU A 124 165.929 5.222 6.073 1.00 52.10 O ATOM 0 H GLU A 124 161.029 5.402 5.950 1.00 31.55 H new ATOM 0 HA GLU A 124 161.984 2.895 5.854 1.00 32.79 H new ATOM 0 HB2 GLU A 124 163.459 4.742 5.469 1.00 38.81 H new ATOM 0 HB3 GLU A 124 163.317 5.117 6.977 1.00 38.81 H new ATOM 0 HG2 GLU A 124 164.350 3.115 7.606 1.00 41.76 H new ATOM 0 HG3 GLU A 124 164.416 2.655 6.117 1.00 41.76 H new ATOM 1005 N ILE A 125 161.366 2.010 8.017 1.00 28.74 N ATOM 1006 CA ILE A 125 161.000 1.452 9.311 1.00 29.42 C ATOM 1007 C ILE A 125 162.015 0.374 9.669 1.00 32.48 C ATOM 1008 O ILE A 125 162.120 -0.639 8.977 1.00 31.71 O ATOM 1009 CB ILE A 125 159.575 0.840 9.287 1.00 26.72 C ATOM 1010 CG1 ILE A 125 158.550 1.890 8.848 1.00 25.34 C ATOM 1011 CG2 ILE A 125 159.214 0.259 10.652 1.00 27.48 C ATOM 1012 CD1 ILE A 125 157.259 1.328 8.286 1.00 24.25 C ATOM 0 H ILE A 125 161.445 1.421 7.396 1.00 28.74 H new ATOM 0 HA ILE A 125 161.001 2.162 9.972 1.00 29.42 H new ATOM 0 HB ILE A 125 159.561 0.116 8.642 1.00 26.72 H new ATOM 0 HG12 ILE A 125 158.338 2.453 9.609 1.00 25.34 H new ATOM 0 HG13 ILE A 125 158.958 2.460 8.178 1.00 25.34 H new ATOM 0 HG21 ILE A 125 158.321 -0.118 10.617 1.00 27.48 H new ATOM 0 HG22 ILE A 125 159.849 -0.436 10.887 1.00 27.48 H new ATOM 0 HG23 ILE A 125 159.242 0.961 11.320 1.00 27.48 H new ATOM 0 HD11 ILE A 125 156.671 2.057 8.035 1.00 24.25 H new ATOM 0 HD12 ILE A 125 157.454 0.787 7.505 1.00 24.25 H new ATOM 0 HD13 ILE A 125 156.825 0.780 8.958 1.00 24.25 H new ATOM 1013 N ASP A 126 162.758 0.609 10.751 1.00 34.75 N ATOM 1014 CA ASP A 126 163.794 -0.313 11.236 1.00 37.25 C ATOM 1015 C ASP A 126 164.776 -0.759 10.140 1.00 37.52 C ATOM 1016 O ASP A 126 165.078 -1.949 10.001 1.00 40.93 O ATOM 1017 CB ASP A 126 163.170 -1.518 11.962 1.00 38.32 C ATOM 1018 CG ASP A 126 162.415 -1.119 13.230 1.00 40.86 C ATOM 1019 OD1 ASP A 126 162.979 -0.386 14.072 1.00 41.40 O ATOM 1020 OD2 ASP A 126 161.255 -1.550 13.393 1.00 37.64 O ATOM 0 H ASP A 126 162.675 1.317 11.232 1.00 34.75 H new ATOM 0 HA ASP A 126 164.324 0.187 11.877 1.00 37.25 H new ATOM 0 HB2 ASP A 126 162.563 -1.975 11.359 1.00 38.32 H new ATOM 0 HB3 ASP A 126 163.869 -2.149 12.192 1.00 38.32 H new ATOM 1021 N GLY A 127 165.257 0.212 9.365 1.00 37.88 N ATOM 1022 CA GLY A 127 166.293 -0.017 8.356 1.00 39.54 C ATOM 1023 C GLY A 127 165.825 -0.486 6.986 1.00 41.30 C ATOM 1024 O GLY A 127 166.622 -0.542 6.045 1.00 41.39 O ATOM 0 H GLY A 127 164.990 1.028 9.410 1.00 37.88 H new ATOM 0 HA2 GLY A 127 166.789 0.808 8.240 1.00 39.54 H new ATOM 0 HA3 GLY A 127 166.914 -0.675 8.705 1.00 39.54 H new ATOM 1025 N VAL A 128 164.541 -0.826 6.873 1.00 38.50 N ATOM 1026 CA VAL A 128 163.963 -1.309 5.613 1.00 34.93 C ATOM 1027 C VAL A 128 162.961 -0.286 5.057 1.00 34.85 C ATOM 1028 O VAL A 128 162.189 0.308 5.816 1.00 31.40 O ATOM 1029 CB VAL A 128 163.296 -2.697 5.794 1.00 35.35 C ATOM 1030 CG1 VAL A 128 162.798 -3.251 4.465 1.00 33.26 C ATOM 1031 CG2 VAL A 128 164.267 -3.683 6.434 1.00 35.38 C ATOM 0 H VAL A 128 163.979 -0.784 7.523 1.00 38.50 H new ATOM 0 HA VAL A 128 164.683 -1.413 4.972 1.00 34.93 H new ATOM 0 HB VAL A 128 162.533 -2.578 6.381 1.00 35.35 H new ATOM 0 HG11 VAL A 128 162.387 -4.118 4.609 1.00 33.26 H new ATOM 0 HG12 VAL A 128 162.145 -2.643 4.085 1.00 33.26 H new ATOM 0 HG13 VAL A 128 163.545 -3.346 3.853 1.00 33.26 H new ATOM 0 HG21 VAL A 128 163.832 -4.544 6.539 1.00 35.38 H new ATOM 0 HG22 VAL A 128 165.048 -3.782 5.867 1.00 35.38 H new ATOM 0 HG23 VAL A 128 164.539 -3.351 7.304 1.00 35.38 H new ATOM 1032 N ILE A 129 162.989 -0.067 3.742 1.00 31.36 N ATOM 1033 CA ILE A 129 162.053 0.866 3.107 1.00 32.04 C ATOM 1034 C ILE A 129 160.820 0.132 2.571 1.00 30.81 C ATOM 1035 O ILE A 129 160.942 -0.855 1.836 1.00 31.74 O ATOM 1036 CB ILE A 129 162.722 1.714 1.995 1.00 33.88 C ATOM 1037 CG1 ILE A 129 163.796 2.635 2.599 1.00 37.45 C ATOM 1038 CG2 ILE A 129 161.682 2.536 1.241 1.00 31.54 C ATOM 1039 CD1 ILE A 129 164.546 3.487 1.592 1.00 37.06 C ATOM 0 H ILE A 129 163.539 -0.446 3.201 1.00 31.36 H new ATOM 0 HA ILE A 129 161.765 1.484 3.797 1.00 32.04 H new ATOM 0 HB ILE A 129 163.147 1.110 1.366 1.00 33.88 H new ATOM 0 HG12 ILE A 129 163.374 3.220 3.248 1.00 37.45 H new ATOM 0 HG13 ILE A 129 164.436 2.090 3.083 1.00 37.45 H new ATOM 0 HG21 ILE A 129 162.120 3.058 0.551 1.00 31.54 H new ATOM 0 HG22 ILE A 129 161.033 1.942 0.833 1.00 31.54 H new ATOM 0 HG23 ILE A 129 161.230 3.132 1.859 1.00 31.54 H new ATOM 0 HD11 ILE A 129 165.200 4.034 2.054 1.00 37.06 H new ATOM 0 HD12 ILE A 129 164.998 2.912 0.955 1.00 37.06 H new ATOM 0 HD13 ILE A 129 163.920 4.060 1.122 1.00 37.06 H new ATOM 1040 N TYR A 130 159.644 0.621 2.968 1.00 25.62 N ATOM 1041 CA TYR A 130 158.357 0.100 2.507 1.00 23.79 C ATOM 1042 C TYR A 130 157.538 1.177 1.790 1.00 22.26 C ATOM 1043 O TYR A 130 157.752 2.370 1.999 1.00 22.66 O ATOM 1044 CB TYR A 130 157.551 -0.437 3.696 1.00 24.10 C ATOM 1045 CG TYR A 130 158.277 -1.460 4.540 1.00 25.41 C ATOM 1046 CD1 TYR A 130 158.189 -2.821 4.249 1.00 25.52 C ATOM 1047 CD2 TYR A 130 159.044 -1.068 5.642 1.00 23.73 C ATOM 1048 CE1 TYR A 130 158.848 -3.765 5.027 1.00 25.07 C ATOM 1049 CE2 TYR A 130 159.710 -2.000 6.424 1.00 25.17 C ATOM 1050 CZ TYR A 130 159.607 -3.345 6.113 1.00 26.49 C ATOM 1051 OH TYR A 130 160.265 -4.268 6.886 1.00 30.09 O ATOM 0 H TYR A 130 159.571 1.275 3.522 1.00 25.62 H new ATOM 0 HA TYR A 130 158.539 -0.616 1.879 1.00 23.79 H new ATOM 0 HB2 TYR A 130 157.296 0.309 4.261 1.00 24.10 H new ATOM 0 HB3 TYR A 130 156.731 -0.834 3.363 1.00 24.10 H new ATOM 0 HD1 TYR A 130 157.681 -3.101 3.522 1.00 25.52 H new ATOM 0 HD2 TYR A 130 159.109 -0.165 5.854 1.00 23.73 H new ATOM 0 HE1 TYR A 130 158.782 -4.670 4.823 1.00 25.07 H new ATOM 0 HE2 TYR A 130 160.221 -1.724 7.150 1.00 25.17 H new ATOM 0 HH TYR A 130 160.582 -3.890 7.566 1.00 30.09 H new ATOM 1052 N PHE A 131 156.588 0.739 0.962 1.00 19.68 N ATOM 1053 CA PHE A 131 155.666 1.613 0.228 1.00 21.32 C ATOM 1054 C PHE A 131 154.272 1.572 0.848 1.00 20.28 C ATOM 1055 O PHE A 131 153.662 0.499 0.962 1.00 19.46 O ATOM 1056 CB PHE A 131 155.594 1.170 -1.249 1.00 22.36 C ATOM 1057 CG PHE A 131 154.688 2.017 -2.114 1.00 23.83 C ATOM 1058 CD1 PHE A 131 153.300 1.973 -1.969 1.00 25.02 C ATOM 1059 CD2 PHE A 131 155.223 2.843 -3.096 1.00 26.78 C ATOM 1060 CE1 PHE A 131 152.468 2.747 -2.767 1.00 24.91 C ATOM 1061 CE2 PHE A 131 154.398 3.619 -3.900 1.00 27.93 C ATOM 1062 CZ PHE A 131 153.023 3.573 -3.736 1.00 26.28 C ATOM 0 H PHE A 131 156.458 -0.097 0.807 1.00 19.68 H new ATOM 0 HA PHE A 131 155.998 2.523 0.278 1.00 21.32 H new ATOM 0 HB2 PHE A 131 156.488 1.187 -1.624 1.00 22.36 H new ATOM 0 HB3 PHE A 131 155.289 0.250 -1.284 1.00 22.36 H new ATOM 0 HD1 PHE A 131 152.926 1.415 -1.326 1.00 25.02 H new ATOM 0 HD2 PHE A 131 156.145 2.876 -3.216 1.00 26.78 H new ATOM 0 HE1 PHE A 131 151.546 2.713 -2.653 1.00 24.91 H new ATOM 0 HE2 PHE A 131 154.769 4.171 -4.550 1.00 27.93 H new ATOM 0 HZ PHE A 131 152.472 4.095 -4.274 1.00 26.28 H new ATOM 1063 N PHE A 132 153.755 2.734 1.241 1.00 17.57 N ATOM 1064 CA PHE A 132 152.391 2.817 1.765 1.00 17.46 C ATOM 1065 C PHE A 132 151.507 3.654 0.854 1.00 17.11 C ATOM 1066 O PHE A 132 151.910 4.740 0.411 1.00 17.95 O ATOM 1067 CB PHE A 132 152.395 3.373 3.200 1.00 16.76 C ATOM 1068 CG PHE A 132 153.132 2.502 4.178 1.00 16.08 C ATOM 1069 CD1 PHE A 132 154.503 2.654 4.377 1.00 16.24 C ATOM 1070 CD2 PHE A 132 152.460 1.504 4.890 1.00 15.82 C ATOM 1071 CE1 PHE A 132 155.191 1.847 5.274 1.00 16.62 C ATOM 1072 CE2 PHE A 132 153.152 0.685 5.782 1.00 15.43 C ATOM 1073 CZ PHE A 132 154.510 0.856 5.976 1.00 15.36 C ATOM 0 H PHE A 132 154.175 3.484 1.213 1.00 17.57 H new ATOM 0 HA PHE A 132 152.021 1.921 1.791 1.00 17.46 H new ATOM 0 HB2 PHE A 132 152.798 4.255 3.196 1.00 16.76 H new ATOM 0 HB3 PHE A 132 151.479 3.481 3.500 1.00 16.76 H new ATOM 0 HD1 PHE A 132 154.965 3.306 3.901 1.00 16.24 H new ATOM 0 HD2 PHE A 132 151.546 1.385 4.768 1.00 15.82 H new ATOM 0 HE1 PHE A 132 156.104 1.968 5.405 1.00 16.62 H new ATOM 0 HE2 PHE A 132 152.698 0.021 6.248 1.00 15.43 H new ATOM 0 HZ PHE A 132 154.968 0.310 6.574 1.00 15.36 H new ATOM 1074 N GLY A 133 150.315 3.130 0.561 1.00 16.77 N ATOM 1075 CA GLY A 133 149.312 3.843 -0.235 1.00 16.78 C ATOM 1076 C GLY A 133 148.739 5.049 0.487 1.00 16.94 C ATOM 1077 O GLY A 133 148.999 5.258 1.680 1.00 17.07 O ATOM 0 H GLY A 133 150.065 2.349 0.819 1.00 16.77 H new ATOM 0 HA2 GLY A 133 149.713 4.131 -1.070 1.00 16.78 H new ATOM 0 HA3 GLY A 133 148.592 3.234 -0.461 1.00 16.78 H new ATOM 1078 N VAL A 134 147.941 5.840 -0.228 1.00 18.12 N ATOM 1079 CA VAL A 134 147.252 6.994 0.366 1.00 19.53 C ATOM 1080 C VAL A 134 146.275 6.570 1.475 1.00 19.02 C ATOM 1081 O VAL A 134 145.902 7.377 2.344 1.00 19.94 O ATOM 1082 CB VAL A 134 146.520 7.825 -0.721 1.00 24.07 C ATOM 1083 CG1 VAL A 134 145.361 7.047 -1.328 1.00 25.49 C ATOM 1084 CG2 VAL A 134 146.054 9.159 -0.167 1.00 26.82 C ATOM 0 H VAL A 134 147.782 5.727 -1.066 1.00 18.12 H new ATOM 0 HA VAL A 134 147.931 7.553 0.774 1.00 19.53 H new ATOM 0 HB VAL A 134 147.156 8.004 -1.431 1.00 24.07 H new ATOM 0 HG11 VAL A 134 144.924 7.591 -2.002 1.00 25.49 H new ATOM 0 HG12 VAL A 134 145.696 6.233 -1.736 1.00 25.49 H new ATOM 0 HG13 VAL A 134 144.724 6.821 -0.633 1.00 25.49 H new ATOM 0 HG21 VAL A 134 145.601 9.658 -0.864 1.00 26.82 H new ATOM 0 HG22 VAL A 134 145.443 9.007 0.571 1.00 26.82 H new ATOM 0 HG23 VAL A 134 146.820 9.665 0.146 1.00 26.82 H new ATOM 1085 N ASP A 135 145.875 5.297 1.445 1.00 17.35 N ATOM 1086 CA ASP A 135 144.970 4.728 2.434 1.00 15.88 C ATOM 1087 C ASP A 135 145.716 4.024 3.580 1.00 15.14 C ATOM 1088 O ASP A 135 145.087 3.384 4.425 1.00 15.60 O ATOM 1089 CB ASP A 135 144.000 3.743 1.753 1.00 16.63 C ATOM 1090 CG ASP A 135 144.717 2.611 1.006 1.00 16.70 C ATOM 1091 OD1 ASP A 135 145.972 2.560 0.982 1.00 16.15 O ATOM 1092 OD2 ASP A 135 144.003 1.752 0.421 1.00 18.26 O ATOM 0 H ASP A 135 146.126 4.737 0.842 1.00 17.35 H new ATOM 0 HA ASP A 135 144.473 5.463 2.825 1.00 15.88 H new ATOM 0 HB2 ASP A 135 143.413 3.360 2.424 1.00 16.63 H new ATOM 0 HB3 ASP A 135 143.438 4.230 1.130 1.00 16.63 H new ATOM 1093 N GLY A 136 147.045 4.134 3.585 1.00 14.00 N ATOM 1094 CA GLY A 136 147.888 3.556 4.636 1.00 15.13 C ATOM 1095 C GLY A 136 148.213 2.078 4.451 1.00 15.79 C ATOM 1096 O GLY A 136 148.951 1.496 5.245 1.00 16.41 O ATOM 0 H GLY A 136 147.487 4.549 2.975 1.00 14.00 H new ATOM 0 HA2 GLY A 136 148.719 4.055 4.678 1.00 15.13 H new ATOM 0 HA3 GLY A 136 147.444 3.673 5.490 1.00 15.13 H new ATOM 1097 N VAL A 137 147.675 1.462 3.401 1.00 14.77 N ATOM 1098 CA VAL A 137 147.945 0.035 3.164 1.00 13.64 C ATOM 1099 C VAL A 137 149.339 -0.167 2.561 1.00 14.57 C ATOM 1100 O VAL A 137 149.714 0.502 1.589 1.00 13.94 O ATOM 1101 CB VAL A 137 146.850 -0.626 2.287 1.00 13.38 C ATOM 1102 CG1 VAL A 137 147.214 -2.075 1.976 1.00 15.05 C ATOM 1103 CG2 VAL A 137 145.497 -0.576 2.982 1.00 14.81 C ATOM 0 H VAL A 137 147.161 1.838 2.823 1.00 14.77 H new ATOM 0 HA VAL A 137 147.923 -0.410 4.026 1.00 13.64 H new ATOM 0 HB VAL A 137 146.794 -0.128 1.456 1.00 13.38 H new ATOM 0 HG11 VAL A 137 146.520 -2.473 1.428 1.00 15.05 H new ATOM 0 HG12 VAL A 137 148.058 -2.101 1.498 1.00 15.05 H new ATOM 0 HG13 VAL A 137 147.296 -2.573 2.804 1.00 15.05 H new ATOM 0 HG21 VAL A 137 144.828 -0.994 2.418 1.00 14.81 H new ATOM 0 HG22 VAL A 137 145.549 -1.050 3.827 1.00 14.81 H new ATOM 0 HG23 VAL A 137 145.251 0.348 3.145 1.00 14.81 H new ATOM 1104 N LYS A 138 150.105 -1.084 3.153 1.00 13.18 N ATOM 1105 CA LYS A 138 151.428 -1.459 2.649 1.00 14.70 C ATOM 1106 C LYS A 138 151.337 -2.205 1.310 1.00 15.40 C ATOM 1107 O LYS A 138 150.634 -3.208 1.196 1.00 15.69 O ATOM 1108 CB LYS A 138 152.154 -2.339 3.674 1.00 14.16 C ATOM 1109 CG LYS A 138 153.630 -2.577 3.350 1.00 17.11 C ATOM 1110 CD LYS A 138 154.215 -3.737 4.152 1.00 19.04 C ATOM 1111 CE LYS A 138 153.642 -5.084 3.711 1.00 21.14 C ATOM 1112 NZ LYS A 138 154.095 -5.472 2.341 1.00 23.04 N ATOM 0 H LYS A 138 149.870 -1.509 3.863 1.00 13.18 H new ATOM 0 HA LYS A 138 151.927 -0.640 2.506 1.00 14.70 H new ATOM 0 HB2 LYS A 138 152.086 -1.925 4.549 1.00 14.16 H new ATOM 0 HB3 LYS A 138 151.702 -3.195 3.730 1.00 14.16 H new ATOM 0 HG2 LYS A 138 153.726 -2.760 2.402 1.00 17.11 H new ATOM 0 HG3 LYS A 138 154.135 -1.770 3.536 1.00 17.11 H new ATOM 0 HD2 LYS A 138 155.179 -3.747 4.048 1.00 19.04 H new ATOM 0 HD3 LYS A 138 154.032 -3.602 5.095 1.00 19.04 H new ATOM 0 HE2 LYS A 138 153.909 -5.769 4.344 1.00 21.14 H new ATOM 0 HE3 LYS A 138 152.673 -5.043 3.729 1.00 21.14 H new ATOM 0 HZ1 LYS A 138 153.718 -6.245 2.111 1.00 23.04 H new ATOM 0 HZ2 LYS A 138 153.857 -4.841 1.760 1.00 23.04 H new ATOM 0 HZ3 LYS A 138 154.980 -5.561 2.335 1.00 23.04 H new ATOM 1113 N ALA A 139 152.053 -1.710 0.302 1.00 16.43 N ATOM 1114 CA ALA A 139 152.096 -2.383 -0.997 1.00 17.40 C ATOM 1115 C ALA A 139 152.985 -3.626 -0.915 1.00 18.86 C ATOM 1116 O ALA A 139 153.818 -3.742 -0.013 1.00 18.99 O ATOM 1117 CB ALA A 139 152.610 -1.429 -2.065 1.00 17.16 C ATOM 0 H ALA A 139 152.519 -0.989 0.348 1.00 16.43 H new ATOM 0 HA ALA A 139 151.198 -2.660 -1.238 1.00 17.40 H new ATOM 0 HB1 ALA A 139 152.635 -1.884 -2.921 1.00 17.16 H new ATOM 0 HB2 ALA A 139 152.020 -0.661 -2.124 1.00 17.16 H new ATOM 0 HB3 ALA A 139 153.503 -1.132 -1.831 1.00 17.16 H new ATOM 1118 N PRO A 140 152.817 -4.570 -1.859 1.00 20.54 N ATOM 1119 CA PRO A 140 153.741 -5.704 -1.884 1.00 23.23 C ATOM 1120 C PRO A 140 155.172 -5.251 -2.183 1.00 24.57 C ATOM 1121 O PRO A 140 155.374 -4.273 -2.911 1.00 24.42 O ATOM 1122 CB PRO A 140 153.224 -6.578 -3.038 1.00 22.05 C ATOM 1123 CG PRO A 140 151.907 -6.021 -3.450 1.00 22.74 C ATOM 1124 CD PRO A 140 151.797 -4.624 -2.923 1.00 21.44 C ATOM 0 HA PRO A 140 153.771 -6.165 -1.031 1.00 23.23 H new ATOM 0 HB2 PRO A 140 153.848 -6.569 -3.781 1.00 22.05 H new ATOM 0 HB3 PRO A 140 153.133 -7.501 -2.755 1.00 22.05 H new ATOM 0 HG2 PRO A 140 151.827 -6.024 -4.417 1.00 22.74 H new ATOM 0 HG3 PRO A 140 151.186 -6.570 -3.104 1.00 22.74 H new ATOM 0 HD2 PRO A 140 151.970 -3.967 -3.616 1.00 21.44 H new ATOM 0 HD3 PRO A 140 150.910 -4.443 -2.575 1.00 21.44 H new ATOM 1125 N GLY A 141 156.149 -5.948 -1.612 1.00 27.37 N ATOM 1126 CA GLY A 141 157.560 -5.750 -1.965 1.00 28.33 C ATOM 1127 C GLY A 141 158.411 -4.905 -1.036 1.00 33.30 C ATOM 1128 O GLY A 141 157.907 -4.302 -0.085 1.00 32.66 O ATOM 0 H GLY A 141 156.018 -6.548 -1.010 1.00 27.37 H new ATOM 0 HA2 GLY A 141 157.975 -6.624 -2.036 1.00 28.33 H new ATOM 0 HA3 GLY A 141 157.593 -5.348 -2.847 1.00 28.33 H new ATOM 1129 N ILE A 142 159.716 -4.881 -1.321 1.00 33.65 N ATOM 1130 CA ILE A 142 160.698 -4.077 -0.583 1.00 38.92 C ATOM 1131 C ILE A 142 161.250 -2.980 -1.503 1.00 37.65 C ATOM 1132 O ILE A 142 161.352 -3.171 -2.718 1.00 39.17 O ATOM 1133 CB ILE A 142 161.860 -4.942 -0.024 1.00 39.10 C ATOM 1134 CG1 ILE A 142 161.338 -6.109 0.837 1.00 39.67 C ATOM 1135 CG2 ILE A 142 162.873 -4.091 0.741 1.00 42.30 C ATOM 1136 CD1 ILE A 142 160.730 -5.727 2.177 1.00 39.37 C ATOM 0 H ILE A 142 160.062 -5.340 -1.961 1.00 33.65 H new ATOM 0 HA ILE A 142 160.248 -3.677 0.178 1.00 38.92 H new ATOM 0 HB ILE A 142 162.321 -5.330 -0.784 1.00 39.10 H new ATOM 0 HG12 ILE A 142 160.671 -6.592 0.325 1.00 39.67 H new ATOM 0 HG13 ILE A 142 162.072 -6.723 0.998 1.00 39.67 H new ATOM 0 HG21 ILE A 142 163.585 -4.658 1.077 1.00 42.30 H new ATOM 0 HG22 ILE A 142 163.247 -3.421 0.147 1.00 42.30 H new ATOM 0 HG23 ILE A 142 162.431 -3.653 1.485 1.00 42.30 H new ATOM 0 HD11 ILE A 142 160.434 -6.527 2.638 1.00 39.37 H new ATOM 0 HD12 ILE A 142 161.395 -5.271 2.716 1.00 39.37 H new ATOM 0 HD13 ILE A 142 159.972 -5.139 2.033 1.00 39.37 H new ATOM 1137 N TYR A 143 161.592 -1.833 -0.917 1.00 40.37 N ATOM 1138 CA TYR A 143 161.988 -0.653 -1.680 1.00 40.99 C ATOM 1139 C TYR A 143 163.262 -0.037 -1.111 1.00 41.40 C ATOM 1140 O TYR A 143 164.011 0.630 -1.820 1.00 44.81 O ATOM 1141 CB TYR A 143 160.846 0.377 -1.697 1.00 39.92 C ATOM 1142 CG TYR A 143 159.548 -0.161 -2.274 1.00 35.68 C ATOM 1143 CD1 TYR A 143 158.769 -1.080 -1.563 1.00 33.48 C ATOM 1144 CD2 TYR A 143 159.097 0.247 -3.525 1.00 34.32 C ATOM 1145 CE1 TYR A 143 157.596 -1.590 -2.088 1.00 30.57 C ATOM 1146 CE2 TYR A 143 157.914 -0.248 -4.054 1.00 30.50 C ATOM 1147 CZ TYR A 143 157.171 -1.167 -3.336 1.00 30.43 C ATOM 1148 OH TYR A 143 156.004 -1.672 -3.854 1.00 26.29 O ATOM 0 H TYR A 143 161.600 -1.718 -0.065 1.00 40.37 H new ATOM 0 HA TYR A 143 162.172 -0.927 -2.592 1.00 40.99 H new ATOM 0 HB2 TYR A 143 160.685 0.685 -0.791 1.00 39.92 H new ATOM 0 HB3 TYR A 143 161.125 1.149 -2.214 1.00 39.92 H new ATOM 0 HD1 TYR A 143 159.046 -1.354 -0.719 1.00 33.48 H new ATOM 0 HD2 TYR A 143 159.596 0.861 -4.014 1.00 34.32 H new ATOM 0 HE1 TYR A 143 157.097 -2.211 -1.608 1.00 30.57 H new ATOM 0 HE2 TYR A 143 157.621 0.037 -4.889 1.00 30.50 H new ATOM 0 HH TYR A 143 155.861 -2.435 -3.532 1.00 26.29 H new TER 1149 TYR A 143 ATOM 1150 N GLN B 8 120.889 14.134 18.420 1.00 48.11 N ATOM 1151 CA GLN B 8 120.874 15.621 18.304 1.00 46.15 C ATOM 1152 C GLN B 8 121.515 16.085 16.995 1.00 41.31 C ATOM 1153 O GLN B 8 121.113 17.103 16.436 1.00 42.98 O ATOM 1154 CB GLN B 8 121.574 16.264 19.510 1.00 49.60 C ATOM 1155 CG GLN B 8 121.230 17.731 19.736 1.00 52.45 C ATOM 1156 CD GLN B 8 121.692 18.252 21.090 1.00 59.22 C ATOM 1157 OE1 GLN B 8 121.571 17.570 22.112 1.00 59.56 O ATOM 1158 NE2 GLN B 8 122.217 19.473 21.103 1.00 56.98 N ATOM 0 HA GLN B 8 119.948 15.909 18.296 1.00 46.15 H new ATOM 0 HB2 GLN B 8 121.343 15.763 20.308 1.00 49.60 H new ATOM 0 HB3 GLN B 8 122.534 16.183 19.393 1.00 49.60 H new ATOM 0 HG2 GLN B 8 121.636 18.264 19.035 1.00 52.45 H new ATOM 0 HG3 GLN B 8 120.270 17.848 19.661 1.00 52.45 H new ATOM 0 HE21 GLN B 8 122.286 19.919 20.371 1.00 56.98 H new ATOM 0 HE22 GLN B 8 122.488 19.817 21.843 1.00 56.98 H new ATOM 1159 N VAL B 9 122.501 15.333 16.511 1.00 37.74 N ATOM 1160 CA VAL B 9 123.226 15.687 15.288 1.00 35.00 C ATOM 1161 C VAL B 9 122.386 15.395 14.047 1.00 35.02 C ATOM 1162 O VAL B 9 121.778 14.328 13.933 1.00 34.52 O ATOM 1163 CB VAL B 9 124.595 14.968 15.200 1.00 34.01 C ATOM 1164 CG1 VAL B 9 125.294 15.273 13.881 1.00 33.51 C ATOM 1165 CG2 VAL B 9 125.479 15.374 16.371 1.00 33.37 C ATOM 0 H VAL B 9 122.769 14.604 16.880 1.00 37.74 H new ATOM 0 HA VAL B 9 123.397 16.641 15.325 1.00 35.00 H new ATOM 0 HB VAL B 9 124.435 14.012 15.241 1.00 34.01 H new ATOM 0 HG11 VAL B 9 126.147 14.811 13.852 1.00 33.51 H new ATOM 0 HG12 VAL B 9 124.739 14.973 13.144 1.00 33.51 H new ATOM 0 HG13 VAL B 9 125.442 16.229 13.806 1.00 33.51 H new ATOM 0 HG21 VAL B 9 126.333 14.918 16.306 1.00 33.37 H new ATOM 0 HG22 VAL B 9 125.623 16.333 16.351 1.00 33.37 H new ATOM 0 HG23 VAL B 9 125.046 15.130 17.204 1.00 33.37 H new ATOM 1166 N GLN B 10 122.357 16.358 13.129 1.00 34.21 N ATOM 1167 CA GLN B 10 121.583 16.245 11.897 1.00 35.10 C ATOM 1168 C GLN B 10 122.373 16.731 10.688 1.00 32.76 C ATOM 1169 O GLN B 10 123.054 17.755 10.748 1.00 32.47 O ATOM 1170 CB GLN B 10 120.283 17.050 11.998 1.00 37.36 C ATOM 1171 CG GLN B 10 119.338 16.611 13.107 1.00 41.27 C ATOM 1172 CD GLN B 10 117.969 17.250 12.983 1.00 48.25 C ATOM 1173 OE1 GLN B 10 117.285 17.093 11.968 1.00 50.14 O ATOM 1174 NE2 GLN B 10 117.558 17.972 14.019 1.00 49.60 N ATOM 0 H GLN B 10 122.788 17.098 13.204 1.00 34.21 H new ATOM 0 HA GLN B 10 121.378 15.304 11.778 1.00 35.10 H new ATOM 0 HB2 GLN B 10 120.507 17.984 12.133 1.00 37.36 H new ATOM 0 HB3 GLN B 10 119.815 16.990 11.150 1.00 37.36 H new ATOM 0 HG2 GLN B 10 119.245 15.646 13.087 1.00 41.27 H new ATOM 0 HG3 GLN B 10 119.723 16.841 13.967 1.00 41.27 H new ATOM 0 HE21 GLN B 10 118.063 18.059 14.710 1.00 49.60 H new ATOM 0 HE22 GLN B 10 116.787 18.353 13.999 1.00 49.60 H new ATOM 1175 N LEU B 11 122.281 15.975 9.598 1.00 31.42 N ATOM 1176 CA LEU B 11 122.746 16.421 8.291 1.00 29.79 C ATOM 1177 C LEU B 11 121.499 16.582 7.423 1.00 30.81 C ATOM 1178 O LEU B 11 120.690 15.658 7.316 1.00 31.09 O ATOM 1179 CB LEU B 11 123.706 15.397 7.670 1.00 31.40 C ATOM 1180 CG LEU B 11 124.984 14.981 8.421 1.00 33.05 C ATOM 1181 CD1 LEU B 11 125.646 13.790 7.747 1.00 32.02 C ATOM 1182 CD2 LEU B 11 125.974 16.123 8.537 1.00 32.71 C ATOM 0 H LEU B 11 121.945 15.184 9.597 1.00 31.42 H new ATOM 0 HA LEU B 11 123.236 17.255 8.364 1.00 29.79 H new ATOM 0 HB2 LEU B 11 123.196 14.590 7.501 1.00 31.40 H new ATOM 0 HB3 LEU B 11 123.980 15.745 6.807 1.00 31.40 H new ATOM 0 HG LEU B 11 124.713 14.729 9.318 1.00 33.05 H new ATOM 0 HD11 LEU B 11 126.447 13.546 8.236 1.00 32.02 H new ATOM 0 HD12 LEU B 11 125.031 13.040 7.739 1.00 32.02 H new ATOM 0 HD13 LEU B 11 125.882 14.024 6.836 1.00 32.02 H new ATOM 0 HD21 LEU B 11 126.762 15.821 9.015 1.00 32.71 H new ATOM 0 HD22 LEU B 11 126.229 16.422 7.650 1.00 32.71 H new ATOM 0 HD23 LEU B 11 125.565 16.858 9.021 1.00 32.71 H new ATOM 1183 N VAL B 12 121.327 17.766 6.840 1.00 31.68 N ATOM 1184 CA VAL B 12 120.107 18.083 6.081 1.00 32.09 C ATOM 1185 C VAL B 12 120.438 18.531 4.656 1.00 30.79 C ATOM 1186 O VAL B 12 121.102 19.550 4.455 1.00 32.71 O ATOM 1187 CB VAL B 12 119.241 19.152 6.794 1.00 34.97 C ATOM 1188 CG1 VAL B 12 117.984 19.454 5.987 1.00 38.44 C ATOM 1189 CG2 VAL B 12 118.860 18.698 8.198 1.00 35.94 C ATOM 0 H VAL B 12 121.903 18.404 6.869 1.00 31.68 H new ATOM 0 HA VAL B 12 119.588 17.265 6.033 1.00 32.09 H new ATOM 0 HB VAL B 12 119.770 19.962 6.864 1.00 34.97 H new ATOM 0 HG11 VAL B 12 117.456 20.124 6.449 1.00 38.44 H new ATOM 0 HG12 VAL B 12 118.234 19.787 5.111 1.00 38.44 H new ATOM 0 HG13 VAL B 12 117.461 18.643 5.887 1.00 38.44 H new ATOM 0 HG21 VAL B 12 118.319 19.382 8.624 1.00 35.94 H new ATOM 0 HG22 VAL B 12 118.354 17.872 8.145 1.00 35.94 H new ATOM 0 HG23 VAL B 12 119.664 18.551 8.720 1.00 35.94 H new ATOM 1190 N GLU B 13 119.976 17.752 3.677 1.00 33.16 N ATOM 1191 CA GLU B 13 120.222 18.035 2.265 1.00 33.85 C ATOM 1192 C GLU B 13 119.149 18.951 1.683 1.00 33.93 C ATOM 1193 O GLU B 13 117.971 18.835 2.025 1.00 33.24 O ATOM 1194 CB GLU B 13 120.268 16.744 1.435 1.00 36.60 C ATOM 1195 CG GLU B 13 121.311 15.720 1.863 1.00 37.24 C ATOM 1196 CD GLU B 13 120.758 14.646 2.782 1.00 39.10 C ATOM 1197 OE1 GLU B 13 119.753 14.894 3.481 1.00 42.08 O ATOM 1198 OE2 GLU B 13 121.338 13.540 2.808 1.00 38.01 O ATOM 0 H GLU B 13 119.510 17.043 3.815 1.00 33.16 H new ATOM 0 HA GLU B 13 121.083 18.479 2.219 1.00 33.85 H new ATOM 0 HB2 GLU B 13 119.394 16.325 1.470 1.00 36.60 H new ATOM 0 HB3 GLU B 13 120.432 16.980 0.509 1.00 36.60 H new ATOM 0 HG2 GLU B 13 121.685 15.299 1.073 1.00 37.24 H new ATOM 0 HG3 GLU B 13 122.039 16.178 2.312 1.00 37.24 H new ATOM 1199 N SER B 14 119.571 19.846 0.794 1.00 33.79 N ATOM 1200 CA SER B 14 118.655 20.707 0.043 1.00 35.65 C ATOM 1201 C SER B 14 119.194 20.949 -1.364 1.00 37.58 C ATOM 1202 O SER B 14 120.384 20.745 -1.622 1.00 35.23 O ATOM 1203 CB SER B 14 118.441 22.036 0.776 1.00 35.14 C ATOM 1204 OG SER B 14 119.632 22.805 0.810 1.00 34.78 O ATOM 0 H SER B 14 120.401 19.973 0.607 1.00 33.79 H new ATOM 0 HA SER B 14 117.797 20.260 -0.028 1.00 35.65 H new ATOM 0 HB2 SER B 14 117.740 22.541 0.335 1.00 35.14 H new ATOM 0 HB3 SER B 14 118.140 21.863 1.682 1.00 35.14 H new ATOM 0 HG SER B 14 119.488 23.527 1.215 1.00 34.78 H new ATOM 1205 N GLY B 15 118.316 21.370 -2.274 1.00 35.64 N ATOM 1206 CA GLY B 15 118.720 21.697 -3.641 1.00 39.07 C ATOM 1207 C GLY B 15 118.439 20.610 -4.664 1.00 41.14 C ATOM 1208 O GLY B 15 118.863 20.712 -5.819 1.00 39.73 O ATOM 0 H GLY B 15 117.477 21.473 -2.118 1.00 35.64 H new ATOM 0 HA2 GLY B 15 118.263 22.508 -3.915 1.00 39.07 H new ATOM 0 HA3 GLY B 15 119.670 21.891 -3.647 1.00 39.07 H new ATOM 1209 N GLY B 16 117.721 19.571 -4.245 1.00 44.58 N ATOM 1210 CA GLY B 16 117.353 18.473 -5.136 1.00 47.03 C ATOM 1211 C GLY B 16 116.176 18.818 -6.031 1.00 50.98 C ATOM 1212 O GLY B 16 115.826 19.991 -6.190 1.00 49.94 O ATOM 0 H GLY B 16 117.434 19.483 -3.439 1.00 44.58 H new ATOM 0 HA2 GLY B 16 118.116 18.238 -5.687 1.00 47.03 H new ATOM 0 HA3 GLY B 16 117.134 17.690 -4.606 1.00 47.03 H new ATOM 1213 N GLY B 17 115.570 17.789 -6.619 1.00 52.11 N ATOM 1214 CA GLY B 17 114.389 17.956 -7.462 1.00 55.14 C ATOM 1215 C GLY B 17 114.616 17.595 -8.917 1.00 56.39 C ATOM 1216 O GLY B 17 115.533 16.837 -9.246 1.00 54.39 O ATOM 0 H GLY B 17 115.832 16.974 -6.540 1.00 52.11 H new ATOM 0 HA2 GLY B 17 113.671 17.407 -7.110 1.00 55.14 H new ATOM 0 HA3 GLY B 17 114.093 18.878 -7.409 1.00 55.14 H new ATOM 1217 N LEU B 18 113.774 18.148 -9.788 1.00 57.56 N ATOM 1218 CA LEU B 18 113.830 17.869 -11.222 1.00 58.61 C ATOM 1219 C LEU B 18 114.785 18.803 -11.961 1.00 56.84 C ATOM 1220 O LEU B 18 114.943 19.969 -11.590 1.00 57.67 O ATOM 1221 CB LEU B 18 112.430 17.945 -11.849 1.00 60.68 C ATOM 1222 CG LEU B 18 111.435 16.809 -11.581 1.00 59.12 C ATOM 1223 CD1 LEU B 18 110.630 17.054 -10.311 1.00 62.29 C ATOM 1224 CD2 LEU B 18 110.500 16.643 -12.768 1.00 61.34 C ATOM 0 H LEU B 18 113.152 18.698 -9.563 1.00 57.56 H new ATOM 0 HA LEU B 18 114.173 16.967 -11.316 1.00 58.61 H new ATOM 0 HB2 LEU B 18 112.019 18.771 -11.550 1.00 60.68 H new ATOM 0 HB3 LEU B 18 112.542 18.016 -12.810 1.00 60.68 H new ATOM 0 HG LEU B 18 111.944 15.993 -11.455 1.00 59.12 H new ATOM 0 HD11 LEU B 18 110.013 16.319 -10.172 1.00 62.29 H new ATOM 0 HD12 LEU B 18 111.232 17.118 -9.553 1.00 62.29 H new ATOM 0 HD13 LEU B 18 110.132 17.882 -10.398 1.00 62.29 H new ATOM 0 HD21 LEU B 18 109.875 15.923 -12.590 1.00 61.34 H new ATOM 0 HD22 LEU B 18 110.010 17.468 -12.912 1.00 61.34 H new ATOM 0 HD23 LEU B 18 111.018 16.432 -13.561 1.00 61.34 H new ATOM 1225 N ALA B 19 115.424 18.269 -13.001 1.00 56.77 N ATOM 1226 CA ALA B 19 116.299 19.036 -13.887 1.00 56.15 C ATOM 1227 C ALA B 19 116.365 18.369 -15.258 1.00 56.90 C ATOM 1228 O ALA B 19 116.063 17.181 -15.394 1.00 53.15 O ATOM 1229 CB ALA B 19 117.693 19.165 -13.291 1.00 56.30 C ATOM 0 H ALA B 19 115.360 17.438 -13.215 1.00 56.77 H new ATOM 0 HA ALA B 19 115.932 19.928 -13.988 1.00 56.15 H new ATOM 0 HB1 ALA B 19 118.256 19.676 -13.893 1.00 56.30 H new ATOM 0 HB2 ALA B 19 117.639 19.619 -12.436 1.00 56.30 H new ATOM 0 HB3 ALA B 19 118.074 18.282 -13.164 1.00 56.30 H new ATOM 1230 N GLN B 20 116.754 19.140 -16.271 1.00 58.15 N ATOM 1231 CA GLN B 20 116.900 18.613 -17.625 1.00 60.72 C ATOM 1232 C GLN B 20 118.345 18.224 -17.911 1.00 55.70 C ATOM 1233 O GLN B 20 119.276 18.846 -17.393 1.00 54.18 O ATOM 1234 CB GLN B 20 116.406 19.627 -18.662 1.00 67.99 C ATOM 1235 CG GLN B 20 114.895 19.816 -18.679 1.00 77.58 C ATOM 1236 CD GLN B 20 114.402 20.590 -19.890 1.00 85.08 C ATOM 1237 OE1 GLN B 20 115.063 21.514 -20.370 1.00 88.50 O ATOM 1238 NE2 GLN B 20 113.227 20.218 -20.388 1.00 85.64 N ATOM 0 H GLN B 20 116.939 19.976 -16.194 1.00 58.15 H new ATOM 0 HA GLN B 20 116.353 17.815 -17.690 1.00 60.72 H new ATOM 0 HB2 GLN B 20 116.827 20.483 -18.488 1.00 67.99 H new ATOM 0 HB3 GLN B 20 116.696 19.342 -19.542 1.00 67.99 H new ATOM 0 HG2 GLN B 20 114.466 18.946 -18.662 1.00 77.58 H new ATOM 0 HG3 GLN B 20 114.624 20.282 -17.872 1.00 77.58 H new ATOM 0 HE21 GLN B 20 112.793 19.569 -20.027 1.00 85.64 H new ATOM 0 HE22 GLN B 20 112.901 20.627 -21.071 1.00 85.64 H new ATOM 1239 N ALA B 21 118.519 17.193 -18.736 1.00 55.32 N ATOM 1240 CA ALA B 21 119.844 16.720 -19.147 1.00 51.55 C ATOM 1241 C ALA B 21 120.681 17.848 -19.749 1.00 50.11 C ATOM 1242 O ALA B 21 120.177 18.651 -20.536 1.00 49.99 O ATOM 1243 CB ALA B 21 119.712 15.566 -20.130 1.00 51.35 C ATOM 0 H ALA B 21 117.869 16.745 -19.076 1.00 55.32 H new ATOM 0 HA ALA B 21 120.306 16.404 -18.355 1.00 51.55 H new ATOM 0 HB1 ALA B 21 120.595 15.263 -20.394 1.00 51.35 H new ATOM 0 HB2 ALA B 21 119.232 14.836 -19.709 1.00 51.35 H new ATOM 0 HB3 ALA B 21 119.225 15.863 -20.915 1.00 51.35 H new ATOM 1244 N GLY B 22 121.954 17.904 -19.364 1.00 45.23 N ATOM 1245 CA GLY B 22 122.860 18.974 -19.787 1.00 43.71 C ATOM 1246 C GLY B 22 122.888 20.159 -18.834 1.00 40.55 C ATOM 1247 O GLY B 22 123.813 20.977 -18.876 1.00 41.02 O ATOM 0 H GLY B 22 122.319 17.321 -18.848 1.00 45.23 H new ATOM 0 HA2 GLY B 22 123.757 18.614 -19.870 1.00 43.71 H new ATOM 0 HA3 GLY B 22 122.595 19.283 -20.668 1.00 43.71 H new ATOM 1248 N GLY B 23 121.876 20.246 -17.972 1.00 41.16 N ATOM 1249 CA GLY B 23 121.741 21.349 -17.016 1.00 40.02 C ATOM 1250 C GLY B 23 122.522 21.157 -15.726 1.00 43.78 C ATOM 1251 O GLY B 23 123.372 20.264 -15.630 1.00 40.76 O ATOM 0 H GLY B 23 121.244 19.664 -17.924 1.00 41.16 H new ATOM 0 HA2 GLY B 23 122.036 22.170 -17.441 1.00 40.02 H new ATOM 0 HA3 GLY B 23 120.802 21.463 -16.800 1.00 40.02 H new ATOM 1252 N SER B 24 122.219 21.993 -14.732 1.00 43.62 N ATOM 1253 CA SER B 24 122.961 22.027 -13.467 1.00 41.06 C ATOM 1254 C SER B 24 122.067 21.985 -12.230 1.00 39.68 C ATOM 1255 O SER B 24 120.925 22.448 -12.256 1.00 38.54 O ATOM 1256 CB SER B 24 123.842 23.277 -13.401 1.00 42.29 C ATOM 1257 OG SER B 24 124.928 23.187 -14.304 1.00 47.71 O ATOM 0 H SER B 24 121.574 22.560 -14.772 1.00 43.62 H new ATOM 0 HA SER B 24 123.503 21.222 -13.458 1.00 41.06 H new ATOM 0 HB2 SER B 24 123.310 24.062 -13.608 1.00 42.29 H new ATOM 0 HB3 SER B 24 124.178 23.392 -12.498 1.00 42.29 H new ATOM 0 HG SER B 24 125.631 23.009 -13.880 1.00 47.71 H new ATOM 1258 N LEU B 25 122.608 21.419 -11.151 1.00 37.57 N ATOM 1259 CA LEU B 25 122.000 21.479 -9.821 1.00 37.63 C ATOM 1260 C LEU B 25 123.099 21.643 -8.778 1.00 37.39 C ATOM 1261 O LEU B 25 124.234 21.220 -8.999 1.00 36.77 O ATOM 1262 CB LEU B 25 121.194 20.213 -9.514 1.00 38.47 C ATOM 1263 CG LEU B 25 119.821 19.983 -10.155 1.00 40.66 C ATOM 1264 CD1 LEU B 25 119.404 18.536 -9.950 1.00 40.65 C ATOM 1265 CD2 LEU B 25 118.761 20.929 -9.599 1.00 41.51 C ATOM 0 H LEU B 25 123.349 20.983 -11.171 1.00 37.57 H new ATOM 0 HA LEU B 25 121.393 22.235 -9.797 1.00 37.63 H new ATOM 0 HB2 LEU B 25 121.751 19.456 -9.753 1.00 38.47 H new ATOM 0 HB3 LEU B 25 121.069 20.181 -8.553 1.00 38.47 H new ATOM 0 HG LEU B 25 119.897 20.171 -11.104 1.00 40.66 H new ATOM 0 HD11 LEU B 25 118.535 18.389 -10.355 1.00 40.65 H new ATOM 0 HD12 LEU B 25 120.057 17.949 -10.363 1.00 40.65 H new ATOM 0 HD13 LEU B 25 119.354 18.345 -9.000 1.00 40.65 H new ATOM 0 HD21 LEU B 25 117.910 20.751 -10.030 1.00 41.51 H new ATOM 0 HD22 LEU B 25 118.674 20.792 -8.643 1.00 41.51 H new ATOM 0 HD23 LEU B 25 119.024 21.847 -9.771 1.00 41.51 H new ATOM 1266 N ARG B 26 122.759 22.257 -7.649 1.00 35.89 N ATOM 1267 CA ARG B 26 123.688 22.373 -6.529 1.00 37.46 C ATOM 1268 C ARG B 26 123.025 21.871 -5.252 1.00 36.77 C ATOM 1269 O ARG B 26 122.002 22.410 -4.818 1.00 35.10 O ATOM 1270 CB ARG B 26 124.171 23.816 -6.359 1.00 40.80 C ATOM 1271 CG ARG B 26 125.235 23.991 -5.285 1.00 41.31 C ATOM 1272 CD ARG B 26 125.651 25.445 -5.154 1.00 44.55 C ATOM 1273 NE ARG B 26 126.727 25.625 -4.181 1.00 43.16 N ATOM 1274 CZ ARG B 26 128.023 25.673 -4.481 1.00 46.84 C ATOM 1275 NH1 ARG B 26 128.434 25.549 -5.738 1.00 46.18 N ATOM 1276 NH2 ARG B 26 128.915 25.845 -3.516 1.00 46.83 N ATOM 0 H ARG B 26 121.990 22.616 -7.511 1.00 35.89 H new ATOM 0 HA ARG B 26 124.466 21.824 -6.716 1.00 37.46 H new ATOM 0 HB2 ARG B 26 124.525 24.131 -7.206 1.00 40.80 H new ATOM 0 HB3 ARG B 26 123.411 24.378 -6.143 1.00 40.80 H new ATOM 0 HG2 ARG B 26 124.895 23.672 -4.435 1.00 41.31 H new ATOM 0 HG3 ARG B 26 126.009 23.449 -5.502 1.00 41.31 H new ATOM 0 HD2 ARG B 26 125.940 25.776 -6.019 1.00 44.55 H new ATOM 0 HD3 ARG B 26 124.884 25.977 -4.888 1.00 44.55 H new ATOM 0 HE ARG B 26 126.506 25.706 -3.354 1.00 43.16 H new ATOM 0 HH11 ARG B 26 127.860 25.436 -6.369 1.00 46.18 H new ATOM 0 HH12 ARG B 26 129.274 25.581 -5.921 1.00 46.18 H new ATOM 0 HH21 ARG B 26 128.656 25.925 -2.700 1.00 46.83 H new ATOM 0 HH22 ARG B 26 129.753 25.877 -3.706 1.00 46.83 H new ATOM 1277 N LEU B 27 123.598 20.821 -4.670 1.00 30.77 N ATOM 1278 CA LEU B 27 123.111 20.292 -3.409 1.00 28.46 C ATOM 1279 C LEU B 27 123.889 20.941 -2.272 1.00 26.89 C ATOM 1280 O LEU B 27 125.067 21.254 -2.421 1.00 25.73 O ATOM 1281 CB LEU B 27 123.247 18.762 -3.349 1.00 29.36 C ATOM 1282 CG LEU B 27 122.682 17.909 -4.496 1.00 31.07 C ATOM 1283 CD1 LEU B 27 122.878 16.428 -4.209 1.00 30.88 C ATOM 1284 CD2 LEU B 27 121.212 18.207 -4.751 1.00 33.04 C ATOM 0 H LEU B 27 124.274 20.401 -4.995 1.00 30.77 H new ATOM 0 HA LEU B 27 122.167 20.499 -3.325 1.00 28.46 H new ATOM 0 HB2 LEU B 27 124.192 18.557 -3.271 1.00 29.36 H new ATOM 0 HB3 LEU B 27 122.824 18.464 -2.529 1.00 29.36 H new ATOM 0 HG LEU B 27 123.174 18.142 -5.299 1.00 31.07 H new ATOM 0 HD11 LEU B 27 122.516 15.906 -4.942 1.00 30.88 H new ATOM 0 HD12 LEU B 27 123.825 16.239 -4.114 1.00 30.88 H new ATOM 0 HD13 LEU B 27 122.418 16.194 -3.388 1.00 30.88 H new ATOM 0 HD21 LEU B 27 120.891 17.652 -5.479 1.00 33.04 H new ATOM 0 HD22 LEU B 27 120.699 18.017 -3.950 1.00 33.04 H new ATOM 0 HD23 LEU B 27 121.107 19.142 -4.987 1.00 33.04 H new ATOM 1285 N SER B 28 123.201 21.170 -1.160 1.00 28.77 N ATOM 1286 CA SER B 28 123.822 21.655 0.067 1.00 30.06 C ATOM 1287 C SER B 28 123.480 20.674 1.167 1.00 28.77 C ATOM 1288 O SER B 28 122.366 20.147 1.213 1.00 30.64 O ATOM 1289 CB SER B 28 123.297 23.048 0.439 1.00 30.15 C ATOM 1290 OG SER B 28 123.853 24.045 -0.399 1.00 32.14 O ATOM 0 H SER B 28 122.352 21.047 -1.095 1.00 28.77 H new ATOM 0 HA SER B 28 124.782 21.726 -0.057 1.00 30.06 H new ATOM 0 HB2 SER B 28 122.330 23.062 0.365 1.00 30.15 H new ATOM 0 HB3 SER B 28 123.514 23.242 1.364 1.00 30.15 H new ATOM 0 HG SER B 28 124.625 24.239 -0.130 1.00 32.14 H new ATOM 1291 N CYS B 29 124.440 20.429 2.052 1.00 27.80 N ATOM 1292 CA CYS B 29 124.203 19.604 3.224 1.00 28.81 C ATOM 1293 C CYS B 29 124.632 20.392 4.450 1.00 27.43 C ATOM 1294 O CYS B 29 125.826 20.571 4.691 1.00 30.45 O ATOM 1295 CB CYS B 29 124.982 18.291 3.128 1.00 27.84 C ATOM 1296 SG CYS B 29 125.009 17.332 4.655 1.00 29.87 S ATOM 0 H CYS B 29 125.241 20.735 1.989 1.00 27.80 H new ATOM 0 HA CYS B 29 123.261 19.379 3.286 1.00 28.81 H new ATOM 0 HB2 CYS B 29 124.595 17.748 2.424 1.00 27.84 H new ATOM 0 HB3 CYS B 29 125.895 18.487 2.865 1.00 27.84 H new ATOM 1297 N ALA B 30 123.653 20.871 5.209 1.00 27.69 N ATOM 1298 CA ALA B 30 123.926 21.657 6.407 1.00 28.36 C ATOM 1299 C ALA B 30 123.946 20.754 7.628 1.00 28.28 C ATOM 1300 O ALA B 30 122.967 20.062 7.921 1.00 28.85 O ATOM 1301 CB ALA B 30 122.899 22.771 6.567 1.00 28.61 C ATOM 0 H ALA B 30 122.817 20.751 5.046 1.00 27.69 H new ATOM 0 HA ALA B 30 124.799 22.071 6.317 1.00 28.36 H new ATOM 0 HB1 ALA B 30 123.097 23.281 7.368 1.00 28.61 H new ATOM 0 HB2 ALA B 30 122.933 23.356 5.794 1.00 28.61 H new ATOM 0 HB3 ALA B 30 122.012 22.385 6.641 1.00 28.61 H new ATOM 1302 N ALA B 31 125.076 20.759 8.329 1.00 27.46 N ATOM 1303 CA ALA B 31 125.240 19.960 9.534 1.00 25.43 C ATOM 1304 C ALA B 31 124.998 20.804 10.782 1.00 26.41 C ATOM 1305 O ALA B 31 125.336 21.991 10.813 1.00 28.32 O ATOM 1306 CB ALA B 31 126.633 19.350 9.568 1.00 25.18 C ATOM 0 H ALA B 31 125.767 21.226 8.118 1.00 27.46 H new ATOM 0 HA ALA B 31 124.584 19.246 9.522 1.00 25.43 H new ATOM 0 HB1 ALA B 31 126.735 18.819 10.374 1.00 25.18 H new ATOM 0 HB2 ALA B 31 126.758 18.784 8.790 1.00 25.18 H new ATOM 0 HB3 ALA B 31 127.297 20.058 9.562 1.00 25.18 H new ATOM 1307 N SER B 32 124.413 20.187 11.805 1.00 28.80 N ATOM 1308 CA SER B 32 124.188 20.856 13.088 1.00 28.35 C ATOM 1309 C SER B 32 124.340 19.907 14.278 1.00 28.19 C ATOM 1310 O SER B 32 124.231 18.689 14.126 1.00 27.83 O ATOM 1311 CB SER B 32 122.814 21.540 13.113 1.00 31.28 C ATOM 1312 OG SER B 32 121.772 20.604 12.917 1.00 31.95 O ATOM 0 H SER B 32 124.136 19.373 11.778 1.00 28.80 H new ATOM 0 HA SER B 32 124.877 21.533 13.176 1.00 28.35 H new ATOM 0 HB2 SER B 32 122.690 21.992 13.962 1.00 31.28 H new ATOM 0 HB3 SER B 32 122.776 22.220 12.422 1.00 31.28 H new ATOM 0 HG SER B 32 122.069 19.826 13.027 1.00 31.95 H new ATOM 1313 N GLY B 33 124.602 20.475 15.455 1.00 26.96 N ATOM 1314 CA GLY B 33 124.702 19.699 16.692 1.00 27.48 C ATOM 1315 C GLY B 33 126.111 19.271 17.067 1.00 27.42 C ATOM 1316 O GLY B 33 126.351 18.831 18.193 1.00 25.69 O ATOM 0 H GLY B 33 124.727 21.320 15.559 1.00 26.96 H new ATOM 0 HA2 GLY B 33 124.334 20.225 17.419 1.00 27.48 H new ATOM 0 HA3 GLY B 33 124.149 18.906 16.607 1.00 27.48 H new ATOM 1317 N ARG B 34 127.038 19.393 16.117 1.00 26.26 N ATOM 1318 CA ARG B 34 128.434 18.998 16.309 1.00 24.93 C ATOM 1319 C ARG B 34 129.277 19.604 15.186 1.00 23.26 C ATOM 1320 O ARG B 34 128.802 19.723 14.060 1.00 24.12 O ATOM 1321 CB ARG B 34 128.528 17.465 16.349 1.00 27.13 C ATOM 1322 CG ARG B 34 129.690 16.842 15.615 1.00 25.04 C ATOM 1323 CD ARG B 34 129.796 15.350 15.884 1.00 23.92 C ATOM 1324 NE ARG B 34 131.171 15.026 16.249 1.00 20.21 N ATOM 1325 CZ ARG B 34 132.185 14.949 15.387 1.00 20.21 C ATOM 1326 NH1 ARG B 34 131.987 15.146 14.090 1.00 19.89 N ATOM 1327 NH2 ARG B 34 133.401 14.677 15.825 1.00 19.91 N ATOM 0 H ARG B 34 126.872 19.711 15.335 1.00 26.26 H new ATOM 0 HA ARG B 34 128.777 19.331 17.153 1.00 24.93 H new ATOM 0 HB2 ARG B 34 128.572 17.188 17.277 1.00 27.13 H new ATOM 0 HB3 ARG B 34 127.707 17.101 15.982 1.00 27.13 H new ATOM 0 HG2 ARG B 34 129.588 16.992 14.662 1.00 25.04 H new ATOM 0 HG3 ARG B 34 130.514 17.278 15.884 1.00 25.04 H new ATOM 0 HD2 ARG B 34 129.191 15.095 16.598 1.00 23.92 H new ATOM 0 HD3 ARG B 34 129.532 14.849 15.097 1.00 23.92 H new ATOM 0 HE ARG B 34 131.339 14.874 17.079 1.00 20.21 H new ATOM 0 HH11 ARG B 34 131.198 15.325 13.798 1.00 19.89 H new ATOM 0 HH12 ARG B 34 132.647 15.094 13.541 1.00 19.89 H new ATOM 0 HH21 ARG B 34 133.537 14.550 16.665 1.00 19.91 H new ATOM 0 HH22 ARG B 34 134.057 14.627 15.271 1.00 19.91 H new ATOM 1328 N THR B 35 130.513 20.000 15.489 1.00 21.42 N ATOM 1329 CA THR B 35 131.379 20.606 14.475 1.00 21.42 C ATOM 1330 C THR B 35 132.102 19.522 13.677 1.00 20.36 C ATOM 1331 O THR B 35 132.650 18.591 14.259 1.00 19.52 O ATOM 1332 CB THR B 35 132.382 21.586 15.112 1.00 24.58 C ATOM 1333 OG1 THR B 35 131.655 22.584 15.841 1.00 30.31 O ATOM 1334 CG2 THR B 35 133.232 22.269 14.049 1.00 24.69 C ATOM 0 H THR B 35 130.868 19.928 16.269 1.00 21.42 H new ATOM 0 HA THR B 35 130.822 21.115 13.865 1.00 21.42 H new ATOM 0 HB THR B 35 132.969 21.089 15.702 1.00 24.58 H new ATOM 0 HG1 THR B 35 130.878 22.650 15.528 1.00 30.31 H new ATOM 0 HG21 THR B 35 133.854 22.880 14.475 1.00 24.69 H new ATOM 0 HG22 THR B 35 133.727 21.600 13.551 1.00 24.69 H new ATOM 0 HG23 THR B 35 132.658 22.763 13.444 1.00 24.69 H new ATOM 1335 N PHE B 36 132.088 19.648 12.349 1.00 19.09 N ATOM 1336 CA PHE B 36 132.667 18.632 11.467 1.00 17.62 C ATOM 1337 C PHE B 36 133.989 19.037 10.827 1.00 17.28 C ATOM 1338 O PHE B 36 134.469 18.361 9.921 1.00 15.76 O ATOM 1339 CB PHE B 36 131.648 18.199 10.398 1.00 19.16 C ATOM 1340 CG PHE B 36 130.580 17.299 10.932 1.00 19.96 C ATOM 1341 CD1 PHE B 36 130.782 15.922 10.996 1.00 19.71 C ATOM 1342 CD2 PHE B 36 129.385 17.823 11.413 1.00 19.94 C ATOM 1343 CE1 PHE B 36 129.807 15.086 11.516 1.00 20.97 C ATOM 1344 CE2 PHE B 36 128.403 16.989 11.929 1.00 21.51 C ATOM 1345 CZ PHE B 36 128.618 15.619 11.985 1.00 21.27 C ATOM 0 H PHE B 36 131.745 20.320 11.936 1.00 19.09 H new ATOM 0 HA PHE B 36 132.878 17.877 12.038 1.00 17.62 H new ATOM 0 HB2 PHE B 36 131.235 18.989 10.014 1.00 19.16 H new ATOM 0 HB3 PHE B 36 132.115 17.745 9.679 1.00 19.16 H new ATOM 0 HD1 PHE B 36 131.581 15.560 10.686 1.00 19.71 H new ATOM 0 HD2 PHE B 36 129.242 18.742 11.389 1.00 19.94 H new ATOM 0 HE1 PHE B 36 129.951 14.168 11.550 1.00 20.97 H new ATOM 0 HE2 PHE B 36 127.602 17.348 12.237 1.00 21.51 H new ATOM 0 HZ PHE B 36 127.964 15.059 12.337 1.00 21.27 H new ATOM 1346 N SER B 37 134.594 20.114 11.322 1.00 16.98 N ATOM 1347 CA SER B 37 135.808 20.664 10.697 1.00 18.44 C ATOM 1348 C SER B 37 137.035 19.746 10.706 1.00 17.23 C ATOM 1349 O SER B 37 138.004 20.011 9.982 1.00 18.40 O ATOM 1350 CB SER B 37 136.156 22.049 11.262 1.00 19.44 C ATOM 1351 OG SER B 37 136.437 22.007 12.646 1.00 21.92 O ATOM 0 H SER B 37 134.323 20.543 12.016 1.00 16.98 H new ATOM 0 HA SER B 37 135.570 20.747 9.760 1.00 18.44 H new ATOM 0 HB2 SER B 37 136.924 22.406 10.789 1.00 19.44 H new ATOM 0 HB3 SER B 37 135.417 22.657 11.102 1.00 19.44 H new ATOM 0 HG SER B 37 137.264 21.913 12.762 1.00 21.92 H new ATOM 1352 N MET B 38 137.001 18.676 11.504 1.00 17.06 N ATOM 1353 CA MET B 38 138.116 17.719 11.525 1.00 16.64 C ATOM 1354 C MET B 38 137.845 16.463 10.691 1.00 16.65 C ATOM 1355 O MET B 38 138.753 15.647 10.496 1.00 15.40 O ATOM 1356 CB MET B 38 138.484 17.316 12.955 1.00 17.40 C ATOM 1357 CG MET B 38 138.824 18.472 13.879 1.00 20.86 C ATOM 1358 SD MET B 38 139.547 17.856 15.414 1.00 24.13 S ATOM 1359 CE MET B 38 139.911 19.396 16.251 1.00 24.96 C ATOM 0 H MET B 38 136.352 18.486 12.035 1.00 17.06 H new ATOM 0 HA MET B 38 138.865 18.184 11.120 1.00 16.64 H new ATOM 0 HB2 MET B 38 137.743 16.820 13.338 1.00 17.40 H new ATOM 0 HB3 MET B 38 139.242 16.712 12.922 1.00 17.40 H new ATOM 0 HG2 MET B 38 139.446 19.073 13.440 1.00 20.86 H new ATOM 0 HG3 MET B 38 138.024 18.984 14.074 1.00 20.86 H new ATOM 0 HE1 MET B 38 140.427 19.215 17.052 1.00 24.96 H new ATOM 0 HE2 MET B 38 140.422 19.972 15.661 1.00 24.96 H new ATOM 0 HE3 MET B 38 139.082 19.837 16.493 1.00 24.96 H new ATOM 1360 N ASP B 39 136.612 16.324 10.196 1.00 16.50 N ATOM 1361 CA ASP B 39 136.158 15.087 9.548 1.00 17.16 C ATOM 1362 C ASP B 39 136.020 15.234 8.030 1.00 17.80 C ATOM 1363 O ASP B 39 135.568 16.280 7.546 1.00 18.56 O ATOM 1364 CB ASP B 39 134.786 14.667 10.101 1.00 18.04 C ATOM 1365 CG ASP B 39 134.748 14.583 11.619 1.00 18.64 C ATOM 1366 OD1 ASP B 39 135.456 13.729 12.193 1.00 18.09 O ATOM 1367 OD2 ASP B 39 133.984 15.356 12.243 1.00 18.43 O ATOM 0 H ASP B 39 136.016 16.943 10.226 1.00 16.50 H new ATOM 0 HA ASP B 39 136.834 14.419 9.739 1.00 17.16 H new ATOM 0 HB2 ASP B 39 134.116 15.301 9.802 1.00 18.04 H new ATOM 0 HB3 ASP B 39 134.545 13.804 9.730 1.00 18.04 H new ATOM 1368 N PRO B 40 136.365 14.175 7.269 1.00 17.63 N ATOM 1369 CA PRO B 40 135.938 14.140 5.865 1.00 17.50 C ATOM 1370 C PRO B 40 134.414 14.138 5.763 1.00 18.53 C ATOM 1371 O PRO B 40 133.724 13.627 6.653 1.00 18.54 O ATOM 1372 CB PRO B 40 136.499 12.803 5.346 1.00 18.38 C ATOM 1373 CG PRO B 40 137.574 12.432 6.314 1.00 17.33 C ATOM 1374 CD PRO B 40 137.134 12.975 7.642 1.00 18.07 C ATOM 0 HA PRO B 40 136.250 14.909 5.362 1.00 17.50 H new ATOM 0 HB2 PRO B 40 135.808 12.123 5.310 1.00 18.38 H new ATOM 0 HB3 PRO B 40 136.852 12.896 4.447 1.00 18.38 H new ATOM 0 HG2 PRO B 40 137.690 11.470 6.353 1.00 17.33 H new ATOM 0 HG3 PRO B 40 138.427 12.810 6.049 1.00 17.33 H new ATOM 0 HD2 PRO B 40 136.590 12.336 8.129 1.00 18.07 H new ATOM 0 HD3 PRO B 40 137.890 13.194 8.209 1.00 18.07 H new ATOM 1375 N MET B 41 133.904 14.735 4.687 1.00 17.79 N ATOM 1376 CA MET B 41 132.480 14.737 4.389 1.00 19.10 C ATOM 1377 C MET B 41 132.301 14.247 2.957 1.00 18.92 C ATOM 1378 O MET B 41 133.191 14.422 2.123 1.00 18.52 O ATOM 1379 CB MET B 41 131.886 16.142 4.587 1.00 19.13 C ATOM 1380 CG MET B 41 131.963 16.649 6.023 1.00 20.29 C ATOM 1381 SD MET B 41 131.067 18.201 6.317 1.00 23.39 S ATOM 1382 CE MET B 41 129.414 17.590 6.609 1.00 21.05 C ATOM 0 H MET B 41 134.382 15.153 4.107 1.00 17.79 H new ATOM 0 HA MET B 41 132.005 14.147 4.995 1.00 19.10 H new ATOM 0 HB2 MET B 41 132.352 16.765 4.008 1.00 19.13 H new ATOM 0 HB3 MET B 41 130.958 16.134 4.306 1.00 19.13 H new ATOM 0 HG2 MET B 41 131.610 15.967 6.615 1.00 20.29 H new ATOM 0 HG3 MET B 41 132.895 16.776 6.261 1.00 20.29 H new ATOM 0 HE1 MET B 41 128.819 18.336 6.784 1.00 21.05 H new ATOM 0 HE2 MET B 41 129.105 17.107 5.827 1.00 21.05 H new ATOM 0 HE3 MET B 41 129.419 16.995 7.375 1.00 21.05 H new ATOM 1383 N ALA B 42 131.160 13.624 2.681 1.00 19.00 N ATOM 1384 CA ALA B 42 130.971 12.912 1.417 1.00 20.53 C ATOM 1385 C ALA B 42 129.545 12.981 0.884 1.00 20.70 C ATOM 1386 O ALA B 42 128.615 13.305 1.620 1.00 21.19 O ATOM 1387 CB ALA B 42 131.382 11.455 1.588 1.00 19.87 C ATOM 0 H ALA B 42 130.482 13.600 3.210 1.00 19.00 H new ATOM 0 HA ALA B 42 131.532 13.356 0.762 1.00 20.53 H new ATOM 0 HB1 ALA B 42 131.257 10.983 0.750 1.00 19.87 H new ATOM 0 HB2 ALA B 42 132.316 11.410 1.847 1.00 19.87 H new ATOM 0 HB3 ALA B 42 130.836 11.043 2.276 1.00 19.87 H new ATOM 1388 N TRP B 43 129.401 12.656 -0.404 1.00 22.52 N ATOM 1389 CA TRP B 43 128.106 12.409 -1.031 1.00 23.75 C ATOM 1390 C TRP B 43 128.033 10.983 -1.570 1.00 23.75 C ATOM 1391 O TRP B 43 128.988 10.486 -2.176 1.00 23.83 O ATOM 1392 CB TRP B 43 127.861 13.400 -2.168 1.00 24.36 C ATOM 1393 CG TRP B 43 127.652 14.791 -1.679 1.00 23.95 C ATOM 1394 CD1 TRP B 43 128.602 15.757 -1.536 1.00 25.28 C ATOM 1395 CD2 TRP B 43 126.415 15.373 -1.252 1.00 25.46 C ATOM 1396 NE1 TRP B 43 128.035 16.911 -1.045 1.00 24.08 N ATOM 1397 CE2 TRP B 43 126.693 16.703 -0.862 1.00 25.87 C ATOM 1398 CE3 TRP B 43 125.097 14.901 -1.160 1.00 26.45 C ATOM 1399 CZ2 TRP B 43 125.700 17.572 -0.395 1.00 24.94 C ATOM 1400 CZ3 TRP B 43 124.108 15.766 -0.694 1.00 26.35 C ATOM 1401 CH2 TRP B 43 124.420 17.086 -0.315 1.00 26.21 C ATOM 0 H TRP B 43 130.066 12.572 -0.943 1.00 22.52 H new ATOM 0 HA TRP B 43 127.420 12.527 -0.356 1.00 23.75 H new ATOM 0 HB2 TRP B 43 128.617 13.384 -2.775 1.00 24.36 H new ATOM 0 HB3 TRP B 43 127.084 13.119 -2.676 1.00 24.36 H new ATOM 0 HD1 TRP B 43 129.503 15.652 -1.741 1.00 25.28 H new ATOM 0 HE1 TRP B 43 128.455 17.643 -0.880 1.00 24.08 H new ATOM 0 HE3 TRP B 43 124.887 14.029 -1.405 1.00 26.45 H new ATOM 0 HZ2 TRP B 43 125.901 18.446 -0.148 1.00 24.94 H new ATOM 0 HZ3 TRP B 43 123.230 15.467 -0.633 1.00 26.35 H new ATOM 0 HH2 TRP B 43 123.742 17.641 -0.003 1.00 26.21 H new ATOM 1402 N PHE B 44 126.901 10.338 -1.311 1.00 26.40 N ATOM 1403 CA PHE B 44 126.570 9.033 -1.867 1.00 29.02 C ATOM 1404 C PHE B 44 125.237 9.154 -2.598 1.00 29.84 C ATOM 1405 O PHE B 44 124.504 10.127 -2.396 1.00 30.61 O ATOM 1406 CB PHE B 44 126.453 7.996 -0.746 1.00 28.84 C ATOM 1407 CG PHE B 44 127.775 7.511 -0.220 1.00 28.41 C ATOM 1408 CD1 PHE B 44 128.574 8.332 0.576 1.00 28.60 C ATOM 1409 CD2 PHE B 44 128.219 6.227 -0.508 1.00 29.13 C ATOM 1410 CE1 PHE B 44 129.793 7.881 1.063 1.00 30.96 C ATOM 1411 CE2 PHE B 44 129.438 5.772 -0.025 1.00 30.28 C ATOM 1412 CZ PHE B 44 130.226 6.598 0.761 1.00 29.88 C ATOM 0 H PHE B 44 126.290 10.655 -0.795 1.00 26.40 H new ATOM 0 HA PHE B 44 127.267 8.746 -2.478 1.00 29.02 H new ATOM 0 HB2 PHE B 44 125.946 8.381 -0.014 1.00 28.84 H new ATOM 0 HB3 PHE B 44 125.947 7.236 -1.073 1.00 28.84 H new ATOM 0 HD1 PHE B 44 128.286 9.192 0.783 1.00 28.60 H new ATOM 0 HD2 PHE B 44 127.693 5.665 -1.031 1.00 29.13 H new ATOM 0 HE1 PHE B 44 130.319 8.438 1.591 1.00 30.96 H new ATOM 0 HE2 PHE B 44 129.726 4.912 -0.229 1.00 30.28 H new ATOM 0 HZ PHE B 44 131.043 6.293 1.085 1.00 29.88 H new ATOM 1413 N ARG B 45 124.917 8.172 -3.441 1.00 29.78 N ATOM 1414 CA ARG B 45 123.610 8.139 -4.099 1.00 32.19 C ATOM 1415 C ARG B 45 123.033 6.728 -4.208 1.00 35.28 C ATOM 1416 O ARG B 45 123.774 5.748 -4.310 1.00 33.06 O ATOM 1417 CB ARG B 45 123.659 8.821 -5.476 1.00 29.95 C ATOM 1418 CG ARG B 45 124.386 8.046 -6.563 1.00 33.54 C ATOM 1419 CD ARG B 45 124.452 8.844 -7.852 1.00 31.80 C ATOM 1420 NE ARG B 45 125.310 8.204 -8.848 1.00 34.32 N ATOM 1421 CZ ARG B 45 125.757 8.792 -9.954 1.00 37.12 C ATOM 1422 NH1 ARG B 45 125.435 10.051 -10.227 1.00 35.49 N ATOM 1423 NH2 ARG B 45 126.531 8.118 -10.795 1.00 39.15 N ATOM 0 H ARG B 45 125.439 7.519 -3.645 1.00 29.78 H new ATOM 0 HA ARG B 45 123.007 8.642 -3.529 1.00 32.19 H new ATOM 0 HB2 ARG B 45 122.750 8.986 -5.771 1.00 29.95 H new ATOM 0 HB3 ARG B 45 124.086 9.686 -5.376 1.00 29.95 H new ATOM 0 HG2 ARG B 45 125.284 7.831 -6.266 1.00 33.54 H new ATOM 0 HG3 ARG B 45 123.931 7.204 -6.723 1.00 33.54 H new ATOM 0 HD2 ARG B 45 123.558 8.947 -8.214 1.00 31.80 H new ATOM 0 HD3 ARG B 45 124.786 9.735 -7.663 1.00 31.80 H new ATOM 0 HE ARG B 45 125.543 7.388 -8.708 1.00 34.32 H new ATOM 0 HH11 ARG B 45 124.933 10.493 -9.686 1.00 35.49 H new ATOM 0 HH12 ARG B 45 125.728 10.424 -10.944 1.00 35.49 H new ATOM 0 HH21 ARG B 45 126.743 7.302 -10.625 1.00 39.15 H new ATOM 0 HH22 ARG B 45 126.821 8.497 -11.511 1.00 39.15 H new ATOM 1424 N GLN B 46 121.705 6.642 -4.178 1.00 37.83 N ATOM 1425 CA GLN B 46 121.003 5.377 -4.361 1.00 42.46 C ATOM 1426 C GLN B 46 120.051 5.443 -5.558 1.00 43.79 C ATOM 1427 O GLN B 46 118.956 6.004 -5.453 1.00 42.38 O ATOM 1428 CB GLN B 46 120.253 4.971 -3.090 1.00 43.57 C ATOM 1429 CG GLN B 46 119.668 3.567 -3.153 1.00 47.46 C ATOM 1430 CD GLN B 46 119.042 3.119 -1.847 1.00 51.96 C ATOM 1431 OE1 GLN B 46 118.518 3.929 -1.080 1.00 55.44 O ATOM 1432 NE2 GLN B 46 119.087 1.817 -1.591 1.00 51.61 N ATOM 0 H GLN B 46 121.187 7.316 -4.051 1.00 37.83 H new ATOM 0 HA GLN B 46 121.669 4.696 -4.545 1.00 42.46 H new ATOM 0 HB2 GLN B 46 120.858 5.028 -2.334 1.00 43.57 H new ATOM 0 HB3 GLN B 46 119.537 5.605 -2.929 1.00 43.57 H new ATOM 0 HG2 GLN B 46 118.998 3.534 -3.854 1.00 47.46 H new ATOM 0 HG3 GLN B 46 120.368 2.943 -3.400 1.00 47.46 H new ATOM 0 HE21 GLN B 46 119.461 1.282 -2.150 1.00 51.61 H new ATOM 0 HE22 GLN B 46 118.742 1.509 -0.866 1.00 51.61 H new ATOM 1433 N PRO B 47 120.481 4.888 -6.707 1.00 46.95 N ATOM 1434 CA PRO B 47 119.621 4.718 -7.880 1.00 49.79 C ATOM 1435 C PRO B 47 118.502 3.709 -7.598 1.00 51.21 C ATOM 1436 O PRO B 47 118.666 2.853 -6.720 1.00 45.81 O ATOM 1437 CB PRO B 47 120.581 4.166 -8.944 1.00 50.36 C ATOM 1438 CG PRO B 47 121.942 4.573 -8.488 1.00 51.14 C ATOM 1439 CD PRO B 47 121.874 4.496 -6.993 1.00 48.78 C ATOM 0 HA PRO B 47 119.181 5.540 -8.146 1.00 49.79 H new ATOM 0 HB2 PRO B 47 120.509 3.201 -9.015 1.00 50.36 H new ATOM 0 HB3 PRO B 47 120.381 4.531 -9.820 1.00 50.36 H new ATOM 0 HG2 PRO B 47 122.625 3.982 -8.842 1.00 51.14 H new ATOM 0 HG3 PRO B 47 122.161 5.470 -8.786 1.00 51.14 H new ATOM 0 HD2 PRO B 47 122.070 3.603 -6.670 1.00 48.78 H new ATOM 0 HD3 PRO B 47 122.510 5.096 -6.573 1.00 48.78 H new ATOM 1440 N PRO B 48 117.369 3.811 -8.327 1.00 52.09 N ATOM 1441 CA PRO B 48 116.242 2.888 -8.138 1.00 53.31 C ATOM 1442 C PRO B 48 116.649 1.422 -8.297 1.00 51.15 C ATOM 1443 O PRO B 48 117.309 1.064 -9.275 1.00 51.48 O ATOM 1444 CB PRO B 48 115.267 3.290 -9.250 1.00 53.90 C ATOM 1445 CG PRO B 48 115.586 4.717 -9.536 1.00 54.79 C ATOM 1446 CD PRO B 48 117.071 4.838 -9.346 1.00 53.69 C ATOM 0 HA PRO B 48 115.871 2.951 -7.244 1.00 53.31 H new ATOM 0 HB2 PRO B 48 115.385 2.738 -10.039 1.00 53.90 H new ATOM 0 HB3 PRO B 48 114.346 3.185 -8.966 1.00 53.90 H new ATOM 0 HG2 PRO B 48 115.328 4.959 -10.439 1.00 54.79 H new ATOM 0 HG3 PRO B 48 115.107 5.310 -8.936 1.00 54.79 H new ATOM 0 HD2 PRO B 48 117.552 4.673 -10.172 1.00 53.69 H new ATOM 0 HD3 PRO B 48 117.322 5.725 -9.044 1.00 53.69 H new ATOM 1447 N GLY B 49 116.273 0.596 -7.323 1.00 54.83 N ATOM 1448 CA GLY B 49 116.545 -0.843 -7.362 1.00 57.40 C ATOM 1449 C GLY B 49 117.945 -1.267 -6.942 1.00 61.66 C ATOM 1450 O GLY B 49 118.149 -2.410 -6.523 1.00 59.58 O ATOM 0 H GLY B 49 115.852 0.853 -6.619 1.00 54.83 H new ATOM 0 HA2 GLY B 49 115.904 -1.291 -6.788 1.00 57.40 H new ATOM 0 HA3 GLY B 49 116.387 -1.160 -8.265 1.00 57.40 H new ATOM 1451 N LYS B 50 118.907 -0.351 -7.055 1.00 59.98 N ATOM 1452 CA LYS B 50 120.311 -0.645 -6.755 1.00 59.98 C ATOM 1453 C LYS B 50 120.731 -0.170 -5.360 1.00 55.62 C ATOM 1454 O LYS B 50 120.000 0.574 -4.700 1.00 52.89 O ATOM 1455 CB LYS B 50 121.222 -0.037 -7.827 1.00 61.77 C ATOM 1456 CG LYS B 50 121.064 -0.665 -9.205 1.00 67.13 C ATOM 1457 CD LYS B 50 121.739 0.159 -10.292 1.00 68.86 C ATOM 1458 CE LYS B 50 123.238 -0.096 -10.361 1.00 70.15 C ATOM 1459 NZ LYS B 50 123.865 0.652 -11.485 1.00 68.80 N ATOM 0 H LYS B 50 118.765 0.459 -7.308 1.00 59.98 H new ATOM 0 HA LYS B 50 120.406 -1.610 -6.762 1.00 59.98 H new ATOM 0 HB2 LYS B 50 121.039 0.913 -7.892 1.00 61.77 H new ATOM 0 HB3 LYS B 50 122.145 -0.129 -7.544 1.00 61.77 H new ATOM 0 HG2 LYS B 50 121.442 -1.558 -9.197 1.00 67.13 H new ATOM 0 HG3 LYS B 50 120.121 -0.758 -9.410 1.00 67.13 H new ATOM 0 HD2 LYS B 50 121.337 -0.050 -11.150 1.00 68.86 H new ATOM 0 HD3 LYS B 50 121.580 1.101 -10.126 1.00 68.86 H new ATOM 0 HE2 LYS B 50 123.652 0.168 -9.524 1.00 70.15 H new ATOM 0 HE3 LYS B 50 123.402 -1.046 -10.471 1.00 70.15 H new ATOM 0 HZ1 LYS B 50 124.739 0.485 -11.502 1.00 68.80 H new ATOM 0 HZ2 LYS B 50 123.499 0.394 -12.254 1.00 68.80 H new ATOM 0 HZ3 LYS B 50 123.732 1.525 -11.372 1.00 68.80 H new ATOM 1460 N GLU B 51 121.908 -0.615 -4.920 1.00 51.77 N ATOM 1461 CA GLU B 51 122.450 -0.246 -3.610 1.00 51.02 C ATOM 1462 C GLU B 51 123.049 1.163 -3.614 1.00 47.64 C ATOM 1463 O GLU B 51 123.270 1.754 -4.677 1.00 42.07 O ATOM 1464 CB GLU B 51 123.496 -1.270 -3.144 1.00 52.95 C ATOM 1465 CG GLU B 51 124.808 -1.242 -3.921 1.00 58.65 C ATOM 1466 CD GLU B 51 125.892 -2.118 -3.311 1.00 60.78 C ATOM 1467 OE1 GLU B 51 125.706 -2.627 -2.182 1.00 59.11 O ATOM 1468 OE2 GLU B 51 126.942 -2.295 -3.966 1.00 61.18 O ATOM 0 H GLU B 51 122.416 -1.140 -5.373 1.00 51.77 H new ATOM 0 HA GLU B 51 121.709 -0.248 -2.984 1.00 51.02 H new ATOM 0 HB2 GLU B 51 123.687 -1.115 -2.206 1.00 52.95 H new ATOM 0 HB3 GLU B 51 123.113 -2.159 -3.212 1.00 52.95 H new ATOM 0 HG2 GLU B 51 124.643 -1.531 -4.832 1.00 58.65 H new ATOM 0 HG3 GLU B 51 125.129 -0.328 -3.968 1.00 58.65 H new ATOM 1469 N ARG B 52 123.309 1.689 -2.417 1.00 44.72 N ATOM 1470 CA ARG B 52 123.953 2.993 -2.245 1.00 42.88 C ATOM 1471 C ARG B 52 125.387 2.964 -2.786 1.00 40.59 C ATOM 1472 O ARG B 52 126.130 2.010 -2.537 1.00 41.45 O ATOM 1473 CB ARG B 52 123.932 3.384 -0.764 1.00 43.83 C ATOM 1474 CG ARG B 52 124.168 4.858 -0.477 1.00 45.13 C ATOM 1475 CD ARG B 52 123.619 5.252 0.889 1.00 48.39 C ATOM 1476 NE ARG B 52 124.142 4.418 1.972 1.00 50.62 N ATOM 1477 CZ ARG B 52 123.769 4.510 3.248 1.00 52.35 C ATOM 1478 NH1 ARG B 52 122.860 5.403 3.625 1.00 55.19 N ATOM 1479 NH2 ARG B 52 124.305 3.702 4.152 1.00 52.74 N ATOM 0 H ARG B 52 123.115 1.297 -1.677 1.00 44.72 H new ATOM 0 HA ARG B 52 123.462 3.659 -2.751 1.00 42.88 H new ATOM 0 HB2 ARG B 52 123.074 3.130 -0.390 1.00 43.83 H new ATOM 0 HB3 ARG B 52 124.608 2.867 -0.299 1.00 43.83 H new ATOM 0 HG2 ARG B 52 125.118 5.048 -0.513 1.00 45.13 H new ATOM 0 HG3 ARG B 52 123.745 5.395 -1.165 1.00 45.13 H new ATOM 0 HD2 ARG B 52 123.839 6.180 1.066 1.00 48.39 H new ATOM 0 HD3 ARG B 52 122.651 5.187 0.875 1.00 48.39 H new ATOM 0 HE ARG B 52 124.732 3.826 1.770 1.00 50.62 H new ATOM 0 HH11 ARG B 52 122.506 5.929 3.043 1.00 55.19 H new ATOM 0 HH12 ARG B 52 122.625 5.455 4.451 1.00 55.19 H new ATOM 0 HH21 ARG B 52 124.892 3.120 3.914 1.00 52.74 H new ATOM 0 HH22 ARG B 52 124.066 3.760 4.976 1.00 52.74 H new ATOM 1480 N GLU B 53 125.764 4.002 -3.530 1.00 35.72 N ATOM 1481 CA GLU B 53 127.087 4.074 -4.161 1.00 34.72 C ATOM 1482 C GLU B 53 127.807 5.400 -3.908 1.00 32.89 C ATOM 1483 O GLU B 53 127.168 6.435 -3.721 1.00 31.19 O ATOM 1484 CB GLU B 53 127.003 3.787 -5.670 1.00 38.12 C ATOM 1485 CG GLU B 53 126.163 4.767 -6.485 1.00 39.89 C ATOM 1486 CD GLU B 53 126.120 4.429 -7.969 1.00 42.57 C ATOM 1487 OE1 GLU B 53 126.038 3.231 -8.317 1.00 45.01 O ATOM 1488 OE2 GLU B 53 126.158 5.366 -8.796 1.00 40.93 O ATOM 0 H GLU B 53 125.263 4.684 -3.685 1.00 35.72 H new ATOM 0 HA GLU B 53 127.619 3.382 -3.738 1.00 34.72 H new ATOM 0 HB2 GLU B 53 127.903 3.780 -6.032 1.00 38.12 H new ATOM 0 HB3 GLU B 53 126.641 2.896 -5.793 1.00 38.12 H new ATOM 0 HG2 GLU B 53 125.258 4.777 -6.135 1.00 39.89 H new ATOM 0 HG3 GLU B 53 126.521 5.662 -6.373 1.00 39.89 H new ATOM 1489 N PHE B 54 129.138 5.345 -3.912 1.00 32.20 N ATOM 1490 CA PHE B 54 129.996 6.513 -3.695 1.00 30.70 C ATOM 1491 C PHE B 54 129.921 7.496 -4.864 1.00 31.58 C ATOM 1492 O PHE B 54 129.867 7.085 -6.026 1.00 29.87 O ATOM 1493 CB PHE B 54 131.445 6.054 -3.479 1.00 29.07 C ATOM 1494 CG PHE B 54 132.429 7.175 -3.274 1.00 27.46 C ATOM 1495 CD1 PHE B 54 132.643 7.707 -2.006 1.00 26.96 C ATOM 1496 CD2 PHE B 54 133.167 7.677 -4.342 1.00 26.40 C ATOM 1497 CE1 PHE B 54 133.557 8.729 -1.812 1.00 25.63 C ATOM 1498 CE2 PHE B 54 134.084 8.705 -4.154 1.00 28.12 C ATOM 1499 CZ PHE B 54 134.282 9.227 -2.883 1.00 25.71 C ATOM 0 H PHE B 54 129.576 4.617 -4.043 1.00 32.20 H new ATOM 0 HA PHE B 54 129.679 6.977 -2.904 1.00 30.70 H new ATOM 0 HB2 PHE B 54 131.475 5.467 -2.707 1.00 29.07 H new ATOM 0 HB3 PHE B 54 131.724 5.529 -4.246 1.00 29.07 H new ATOM 0 HD1 PHE B 54 132.167 7.372 -1.281 1.00 26.96 H new ATOM 0 HD2 PHE B 54 133.045 7.320 -5.192 1.00 26.40 H new ATOM 0 HE1 PHE B 54 133.685 9.082 -0.961 1.00 25.63 H new ATOM 0 HE2 PHE B 54 134.563 9.042 -4.877 1.00 28.12 H new ATOM 0 HZ PHE B 54 134.900 9.909 -2.751 1.00 25.71 H new ATOM 1500 N VAL B 55 129.917 8.790 -4.540 1.00 29.60 N ATOM 1501 CA VAL B 55 129.930 9.861 -5.545 1.00 29.50 C ATOM 1502 C VAL B 55 131.154 10.761 -5.366 1.00 25.26 C ATOM 1503 O VAL B 55 131.934 10.948 -6.298 1.00 24.18 O ATOM 1504 CB VAL B 55 128.637 10.718 -5.499 1.00 30.83 C ATOM 1505 CG1 VAL B 55 128.708 11.869 -6.492 1.00 31.26 C ATOM 1506 CG2 VAL B 55 127.406 9.862 -5.770 1.00 31.43 C ATOM 0 H VAL B 55 129.907 9.074 -3.728 1.00 29.60 H new ATOM 0 HA VAL B 55 129.974 9.431 -6.413 1.00 29.50 H new ATOM 0 HB VAL B 55 128.562 11.089 -4.606 1.00 30.83 H new ATOM 0 HG11 VAL B 55 127.890 12.389 -6.444 1.00 31.26 H new ATOM 0 HG12 VAL B 55 129.464 12.437 -6.276 1.00 31.26 H new ATOM 0 HG13 VAL B 55 128.815 11.516 -7.389 1.00 31.26 H new ATOM 0 HG21 VAL B 55 126.612 10.417 -5.736 1.00 31.43 H new ATOM 0 HG22 VAL B 55 127.480 9.457 -6.648 1.00 31.43 H new ATOM 0 HG23 VAL B 55 127.342 9.165 -5.098 1.00 31.43 H new ATOM 1507 N ALA B 56 131.313 11.328 -4.168 1.00 25.67 N ATOM 1508 CA ALA B 56 132.430 12.231 -3.891 1.00 22.53 C ATOM 1509 C ALA B 56 132.741 12.327 -2.399 1.00 20.94 C ATOM 1510 O ALA B 56 131.889 12.041 -1.564 1.00 21.62 O ATOM 1511 CB ALA B 56 132.148 13.621 -4.458 1.00 22.22 C ATOM 0 H ALA B 56 130.784 11.202 -3.502 1.00 25.67 H new ATOM 0 HA ALA B 56 133.211 11.858 -4.328 1.00 22.53 H new ATOM 0 HB1 ALA B 56 132.897 14.207 -4.266 1.00 22.22 H new ATOM 0 HB2 ALA B 56 132.023 13.560 -5.418 1.00 22.22 H new ATOM 0 HB3 ALA B 56 131.344 13.980 -4.050 1.00 22.22 H new ATOM 1512 N ALA B 57 133.968 12.734 -2.081 1.00 21.86 N ATOM 1513 CA ALA B 57 134.383 12.969 -0.693 1.00 20.72 C ATOM 1514 C ALA B 57 135.462 14.040 -0.625 1.00 18.83 C ATOM 1515 O ALA B 57 136.304 14.146 -1.515 1.00 21.18 O ATOM 1516 CB ALA B 57 134.872 11.677 -0.036 1.00 20.26 C ATOM 0 H ALA B 57 134.585 12.882 -2.661 1.00 21.86 H new ATOM 0 HA ALA B 57 133.607 13.282 -0.202 1.00 20.72 H new ATOM 0 HB1 ALA B 57 135.140 11.860 0.878 1.00 20.26 H new ATOM 0 HB2 ALA B 57 134.157 11.022 -0.038 1.00 20.26 H new ATOM 0 HB3 ALA B 57 135.630 11.329 -0.531 1.00 20.26 H new ATOM 1517 N GLY B 58 135.456 14.822 0.450 1.00 18.75 N ATOM 1518 CA GLY B 58 136.426 15.904 0.596 1.00 18.84 C ATOM 1519 C GLY B 58 137.055 15.928 1.976 1.00 16.50 C ATOM 1520 O GLY B 58 136.369 15.684 2.973 1.00 17.19 O ATOM 0 H GLY B 58 134.902 14.744 1.103 1.00 18.75 H new ATOM 0 HA2 GLY B 58 137.121 15.805 -0.073 1.00 18.84 H new ATOM 0 HA3 GLY B 58 135.989 16.753 0.427 1.00 18.84 H new ATOM 1521 N SER B 59 138.351 16.233 2.019 1.00 17.62 N ATOM 1522 CA SER B 59 139.140 16.251 3.258 1.00 17.81 C ATOM 1523 C SER B 59 138.681 17.355 4.205 1.00 18.10 C ATOM 1524 O SER B 59 137.885 18.218 3.820 1.00 16.66 O ATOM 1525 CB SER B 59 140.629 16.409 2.939 1.00 18.64 C ATOM 1526 OG SER B 59 140.907 17.713 2.431 1.00 19.40 O ATOM 0 H SER B 59 138.807 16.439 1.319 1.00 17.62 H new ATOM 0 HA SER B 59 139.000 15.403 3.707 1.00 17.81 H new ATOM 0 HB2 SER B 59 141.153 16.252 3.740 1.00 18.64 H new ATOM 0 HB3 SER B 59 140.897 15.741 2.289 1.00 18.64 H new ATOM 0 HG SER B 59 141.725 17.880 2.520 1.00 19.40 H new ATOM 1527 N SER B 60 139.197 17.327 5.434 1.00 16.87 N ATOM 1528 CA SER B 60 138.718 18.218 6.496 1.00 17.75 C ATOM 1529 C SER B 60 138.766 19.709 6.119 1.00 18.11 C ATOM 1530 O SER B 60 137.806 20.442 6.393 1.00 17.53 O ATOM 1531 CB SER B 60 139.467 17.950 7.807 1.00 17.04 C ATOM 1532 OG SER B 60 140.832 18.315 7.706 1.00 17.09 O ATOM 0 H SER B 60 139.829 16.796 5.676 1.00 16.87 H new ATOM 0 HA SER B 60 137.779 18.011 6.623 1.00 17.75 H new ATOM 0 HB2 SER B 60 139.050 18.448 8.527 1.00 17.04 H new ATOM 0 HB3 SER B 60 139.398 17.010 8.035 1.00 17.04 H new ATOM 0 HG SER B 60 140.954 19.052 8.090 1.00 17.09 H new ATOM 1533 N THR B 61 139.863 20.140 5.486 1.00 18.69 N ATOM 1534 CA THR B 61 140.013 21.534 5.044 1.00 19.94 C ATOM 1535 C THR B 61 139.274 21.808 3.734 1.00 22.05 C ATOM 1536 O THR B 61 138.927 22.959 3.445 1.00 22.44 O ATOM 1537 CB THR B 61 141.487 21.961 4.849 1.00 18.81 C ATOM 1538 OG1 THR B 61 142.079 21.216 3.773 1.00 17.86 O ATOM 1539 CG2 THR B 61 142.294 21.793 6.134 1.00 19.43 C ATOM 0 H THR B 61 140.536 19.638 5.302 1.00 18.69 H new ATOM 0 HA THR B 61 139.625 22.055 5.765 1.00 19.94 H new ATOM 0 HB THR B 61 141.500 22.904 4.621 1.00 18.81 H new ATOM 0 HG1 THR B 61 142.878 21.455 3.673 1.00 17.86 H new ATOM 0 HG21 THR B 61 143.211 22.068 5.979 1.00 19.43 H new ATOM 0 HG22 THR B 61 141.906 22.341 6.834 1.00 19.43 H new ATOM 0 HG23 THR B 61 142.278 20.862 6.407 1.00 19.43 H new ATOM 1540 N GLY B 62 139.043 20.746 2.961 1.00 22.58 N ATOM 1541 CA GLY B 62 138.488 20.845 1.609 1.00 23.46 C ATOM 1542 C GLY B 62 139.538 20.743 0.511 1.00 22.89 C ATOM 1543 O GLY B 62 139.199 20.705 -0.681 1.00 24.41 O ATOM 0 H GLY B 62 139.206 19.939 3.209 1.00 22.58 H new ATOM 0 HA2 GLY B 62 137.831 20.142 1.485 1.00 23.46 H new ATOM 0 HA3 GLY B 62 138.019 21.690 1.521 1.00 23.46 H new ATOM 1544 N ARG B 63 140.811 20.681 0.905 1.00 22.82 N ATOM 1545 CA ARG B 63 141.930 20.652 -0.048 1.00 22.16 C ATOM 1546 C ARG B 63 141.979 19.400 -0.933 1.00 22.88 C ATOM 1547 O ARG B 63 142.240 19.507 -2.134 1.00 24.18 O ATOM 1548 CB ARG B 63 143.279 20.880 0.659 1.00 21.83 C ATOM 1549 CG ARG B 63 144.508 20.550 -0.188 1.00 22.42 C ATOM 1550 CD ARG B 63 145.774 21.263 0.282 1.00 20.56 C ATOM 1551 NE ARG B 63 146.160 20.882 1.642 1.00 21.00 N ATOM 1552 CZ ARG B 63 146.152 21.708 2.687 1.00 19.49 C ATOM 1553 NH1 ARG B 63 145.778 22.980 2.544 1.00 18.43 N ATOM 1554 NH2 ARG B 63 146.517 21.262 3.885 1.00 17.53 N ATOM 0 H ARG B 63 141.053 20.655 1.730 1.00 22.82 H new ATOM 0 HA ARG B 63 141.763 21.392 -0.653 1.00 22.16 H new ATOM 0 HB2 ARG B 63 143.332 21.808 0.936 1.00 21.83 H new ATOM 0 HB3 ARG B 63 143.303 20.341 1.465 1.00 21.83 H new ATOM 0 HG2 ARG B 63 144.658 19.592 -0.170 1.00 22.42 H new ATOM 0 HG3 ARG B 63 144.332 20.792 -1.111 1.00 22.42 H new ATOM 0 HD2 ARG B 63 146.501 21.059 -0.327 1.00 20.56 H new ATOM 0 HD3 ARG B 63 145.634 22.222 0.245 1.00 20.56 H new ATOM 0 HE ARG B 63 146.409 20.070 1.775 1.00 21.00 H new ATOM 0 HH11 ARG B 63 145.539 23.274 1.772 1.00 18.43 H new ATOM 0 HH12 ARG B 63 145.776 23.507 3.224 1.00 18.43 H new ATOM 0 HH21 ARG B 63 146.757 20.442 3.984 1.00 17.53 H new ATOM 0 HH22 ARG B 63 146.513 21.793 4.561 1.00 17.53 H new ATOM 1555 N THR B 64 141.708 18.233 -0.349 1.00 23.07 N ATOM 1556 CA THR B 64 141.852 16.953 -1.047 1.00 22.79 C ATOM 1557 C THR B 64 140.495 16.322 -1.345 1.00 22.93 C ATOM 1558 O THR B 64 139.688 16.128 -0.440 1.00 22.89 O ATOM 1559 CB THR B 64 142.713 15.973 -0.220 1.00 23.78 C ATOM 1560 OG1 THR B 64 143.981 16.576 0.049 1.00 24.94 O ATOM 1561 CG2 THR B 64 142.933 14.667 -0.967 1.00 26.41 C ATOM 0 H THR B 64 141.435 18.160 0.463 1.00 23.07 H new ATOM 0 HA THR B 64 142.296 17.133 -1.890 1.00 22.79 H new ATOM 0 HB THR B 64 142.245 15.778 0.607 1.00 23.78 H new ATOM 0 HG1 THR B 64 144.237 16.359 0.819 1.00 24.94 H new ATOM 0 HG21 THR B 64 143.475 14.072 -0.426 1.00 26.41 H new ATOM 0 HG22 THR B 64 142.077 14.249 -1.147 1.00 26.41 H new ATOM 0 HG23 THR B 64 143.388 14.846 -1.805 1.00 26.41 H new ATOM 1562 N THR B 65 140.253 15.990 -2.613 1.00 23.04 N ATOM 1563 CA THR B 65 138.955 15.443 -3.029 1.00 24.05 C ATOM 1564 C THR B 65 139.083 14.127 -3.804 1.00 24.25 C ATOM 1565 O THR B 65 140.091 13.901 -4.481 1.00 26.14 O ATOM 1566 CB THR B 65 138.180 16.453 -3.904 1.00 24.06 C ATOM 1567 OG1 THR B 65 138.986 16.814 -5.032 1.00 23.94 O ATOM 1568 CG2 THR B 65 137.825 17.710 -3.112 1.00 25.41 C ATOM 0 H THR B 65 140.825 16.073 -3.250 1.00 23.04 H new ATOM 0 HA THR B 65 138.470 15.268 -2.207 1.00 24.05 H new ATOM 0 HB THR B 65 137.356 16.036 -4.199 1.00 24.06 H new ATOM 0 HG1 THR B 65 138.565 17.358 -5.515 1.00 23.94 H new ATOM 0 HG21 THR B 65 137.340 18.326 -3.683 1.00 25.41 H new ATOM 0 HG22 THR B 65 137.271 17.469 -2.353 1.00 25.41 H new ATOM 0 HG23 THR B 65 138.638 18.134 -2.796 1.00 25.41 H new ATOM 1569 N TYR B 66 138.059 13.277 -3.692 1.00 25.45 N ATOM 1570 CA TYR B 66 137.956 12.022 -4.456 1.00 27.18 C ATOM 1571 C TYR B 66 136.584 11.884 -5.126 1.00 27.01 C ATOM 1572 O TYR B 66 135.560 12.244 -4.543 1.00 25.85 O ATOM 1573 CB TYR B 66 138.225 10.801 -3.556 1.00 28.36 C ATOM 1574 CG TYR B 66 139.572 10.832 -2.864 1.00 29.20 C ATOM 1575 CD1 TYR B 66 140.717 10.332 -3.492 1.00 30.14 C ATOM 1576 CD2 TYR B 66 139.703 11.370 -1.583 1.00 30.31 C ATOM 1577 CE1 TYR B 66 141.952 10.371 -2.863 1.00 31.06 C ATOM 1578 CE2 TYR B 66 140.933 11.414 -0.947 1.00 29.83 C ATOM 1579 CZ TYR B 66 142.053 10.910 -1.586 1.00 29.94 C ATOM 1580 OH TYR B 66 143.273 10.960 -0.949 1.00 30.28 O ATOM 0 H TYR B 66 137.394 13.412 -3.164 1.00 25.45 H new ATOM 0 HA TYR B 66 138.633 12.054 -5.150 1.00 27.18 H new ATOM 0 HB2 TYR B 66 137.528 10.746 -2.884 1.00 28.36 H new ATOM 0 HB3 TYR B 66 138.166 9.995 -4.093 1.00 28.36 H new ATOM 0 HD1 TYR B 66 140.649 9.968 -4.345 1.00 30.14 H new ATOM 0 HD2 TYR B 66 138.952 11.705 -1.149 1.00 30.31 H new ATOM 0 HE1 TYR B 66 142.707 10.039 -3.292 1.00 31.06 H new ATOM 0 HE2 TYR B 66 141.006 11.780 -0.095 1.00 29.83 H new ATOM 0 HH TYR B 66 143.817 11.395 -1.419 1.00 30.28 H new ATOM 1581 N TYR B 67 136.568 11.347 -6.348 1.00 28.88 N ATOM 1582 CA TYR B 67 135.335 11.219 -7.133 1.00 28.33 C ATOM 1583 C TYR B 67 135.143 9.834 -7.737 1.00 28.91 C ATOM 1584 O TYR B 67 136.115 9.167 -8.095 1.00 30.66 O ATOM 1585 CB TYR B 67 135.315 12.256 -8.264 1.00 27.65 C ATOM 1586 CG TYR B 67 135.311 13.677 -7.761 1.00 26.17 C ATOM 1587 CD1 TYR B 67 134.124 14.282 -7.353 1.00 26.31 C ATOM 1588 CD2 TYR B 67 136.493 14.407 -7.667 1.00 25.36 C ATOM 1589 CE1 TYR B 67 134.116 15.579 -6.869 1.00 27.07 C ATOM 1590 CE2 TYR B 67 136.496 15.705 -7.183 1.00 26.93 C ATOM 1591 CZ TYR B 67 135.304 16.285 -6.791 1.00 26.72 C ATOM 1592 OH TYR B 67 135.296 17.576 -6.314 1.00 27.68 O ATOM 0 H TYR B 67 137.269 11.047 -6.745 1.00 28.88 H new ATOM 0 HA TYR B 67 134.606 11.371 -6.511 1.00 28.33 H new ATOM 0 HB2 TYR B 67 136.089 12.122 -8.833 1.00 27.65 H new ATOM 0 HB3 TYR B 67 134.530 12.111 -8.815 1.00 27.65 H new ATOM 0 HD1 TYR B 67 133.326 13.808 -7.407 1.00 26.31 H new ATOM 0 HD2 TYR B 67 137.294 14.017 -7.934 1.00 25.36 H new ATOM 0 HE1 TYR B 67 133.318 15.973 -6.598 1.00 27.07 H new ATOM 0 HE2 TYR B 67 137.292 16.182 -7.122 1.00 26.93 H new ATOM 0 HH TYR B 67 136.085 17.826 -6.169 1.00 27.68 H new ATOM 1593 N ALA B 68 133.884 9.415 -7.850 1.00 29.17 N ATOM 1594 CA ALA B 68 133.537 8.237 -8.643 1.00 29.23 C ATOM 1595 C ALA B 68 133.863 8.532 -10.102 1.00 31.96 C ATOM 1596 O ALA B 68 133.712 9.668 -10.559 1.00 30.58 O ATOM 1597 CB ALA B 68 132.067 7.894 -8.482 1.00 28.13 C ATOM 0 H ALA B 68 133.214 9.801 -7.474 1.00 29.17 H new ATOM 0 HA ALA B 68 134.049 7.472 -8.337 1.00 29.23 H new ATOM 0 HB1 ALA B 68 131.857 7.111 -9.015 1.00 28.13 H new ATOM 0 HB2 ALA B 68 131.878 7.710 -7.549 1.00 28.13 H new ATOM 0 HB3 ALA B 68 131.526 8.642 -8.779 1.00 28.13 H new ATOM 1598 N ASP B 69 134.318 7.509 -10.825 1.00 32.35 N ATOM 1599 CA ASP B 69 134.720 7.659 -12.223 1.00 35.54 C ATOM 1600 C ASP B 69 133.590 8.233 -13.077 1.00 33.15 C ATOM 1601 O ASP B 69 133.836 9.033 -13.982 1.00 35.55 O ATOM 1602 CB ASP B 69 135.185 6.315 -12.800 1.00 40.74 C ATOM 1603 CG ASP B 69 136.278 5.658 -11.965 1.00 46.66 C ATOM 1604 OD1 ASP B 69 136.987 6.370 -11.222 1.00 48.41 O ATOM 1605 OD2 ASP B 69 136.428 4.419 -12.053 1.00 50.18 O ATOM 0 H ASP B 69 134.402 6.710 -10.519 1.00 32.35 H new ATOM 0 HA ASP B 69 135.460 8.286 -12.245 1.00 35.54 H new ATOM 0 HB2 ASP B 69 134.426 5.714 -12.861 1.00 40.74 H new ATOM 0 HB3 ASP B 69 135.512 6.452 -13.703 1.00 40.74 H new ATOM 1606 N SER B 70 132.362 7.817 -12.766 1.00 34.94 N ATOM 1607 CA SER B 70 131.146 8.283 -13.435 1.00 37.58 C ATOM 1608 C SER B 70 130.994 9.805 -13.446 1.00 39.81 C ATOM 1609 O SER B 70 130.589 10.383 -14.457 1.00 39.73 O ATOM 1610 CB SER B 70 129.912 7.661 -12.772 1.00 38.81 C ATOM 1611 OG SER B 70 129.859 6.263 -12.991 1.00 52.28 O ATOM 0 H SER B 70 132.209 7.242 -12.145 1.00 34.94 H new ATOM 0 HA SER B 70 131.223 7.999 -14.359 1.00 37.58 H new ATOM 0 HB2 SER B 70 129.929 7.841 -11.819 1.00 38.81 H new ATOM 0 HB3 SER B 70 129.109 8.076 -13.124 1.00 38.81 H new ATOM 0 HG SER B 70 129.176 5.946 -12.618 1.00 52.28 H new ATOM 1612 N VAL B 71 131.332 10.444 -12.327 1.00 37.29 N ATOM 1613 CA VAL B 71 131.030 11.866 -12.125 1.00 36.34 C ATOM 1614 C VAL B 71 132.242 12.796 -12.257 1.00 37.34 C ATOM 1615 O VAL B 71 132.095 14.022 -12.233 1.00 38.49 O ATOM 1616 CB VAL B 71 130.298 12.108 -10.780 1.00 36.46 C ATOM 1617 CG1 VAL B 71 129.040 11.255 -10.695 1.00 37.98 C ATOM 1618 CG2 VAL B 71 131.212 11.833 -9.588 1.00 38.17 C ATOM 0 H VAL B 71 131.739 10.072 -11.667 1.00 37.29 H new ATOM 0 HA VAL B 71 130.436 12.100 -12.855 1.00 36.34 H new ATOM 0 HB VAL B 71 130.043 13.043 -10.748 1.00 36.46 H new ATOM 0 HG11 VAL B 71 128.595 11.418 -9.849 1.00 37.98 H new ATOM 0 HG12 VAL B 71 128.443 11.485 -11.424 1.00 37.98 H new ATOM 0 HG13 VAL B 71 129.280 10.317 -10.758 1.00 37.98 H new ATOM 0 HG21 VAL B 71 130.726 11.993 -8.764 1.00 38.17 H new ATOM 0 HG22 VAL B 71 131.509 10.910 -9.614 1.00 38.17 H new ATOM 0 HG23 VAL B 71 131.982 12.421 -9.628 1.00 38.17 H new ATOM 1619 N LYS B 72 133.431 12.211 -12.405 1.00 36.95 N ATOM 1620 CA LYS B 72 134.671 12.978 -12.516 1.00 39.22 C ATOM 1621 C LYS B 72 134.587 14.013 -13.635 1.00 40.69 C ATOM 1622 O LYS B 72 134.227 13.686 -14.767 1.00 37.87 O ATOM 1623 CB LYS B 72 135.866 12.044 -12.740 1.00 44.34 C ATOM 1624 CG LYS B 72 137.229 12.716 -12.643 1.00 48.70 C ATOM 1625 CD LYS B 72 137.615 13.010 -11.199 1.00 53.31 C ATOM 1626 CE LYS B 72 138.982 13.672 -11.110 1.00 55.64 C ATOM 1627 NZ LYS B 72 139.321 14.054 -9.711 1.00 56.12 N ATOM 0 H LYS B 72 133.541 11.359 -12.444 1.00 36.95 H new ATOM 0 HA LYS B 72 134.800 13.452 -11.680 1.00 39.22 H new ATOM 0 HB2 LYS B 72 135.826 11.327 -12.088 1.00 44.34 H new ATOM 0 HB3 LYS B 72 135.782 11.636 -13.616 1.00 44.34 H new ATOM 0 HG2 LYS B 72 137.901 12.145 -13.047 1.00 48.70 H new ATOM 0 HG3 LYS B 72 137.218 13.543 -13.150 1.00 48.70 H new ATOM 0 HD2 LYS B 72 136.948 13.587 -10.796 1.00 53.31 H new ATOM 0 HD3 LYS B 72 137.620 12.184 -10.690 1.00 53.31 H new ATOM 0 HE2 LYS B 72 139.658 13.066 -11.453 1.00 55.64 H new ATOM 0 HE3 LYS B 72 138.997 14.461 -11.674 1.00 55.64 H new ATOM 0 HZ1 LYS B 72 140.097 14.489 -9.702 1.00 56.12 H new ATOM 0 HZ2 LYS B 72 138.682 14.581 -9.384 1.00 56.12 H new ATOM 0 HZ3 LYS B 72 139.386 13.321 -9.210 1.00 56.12 H new ATOM 1628 N GLY B 73 134.910 15.261 -13.300 1.00 37.11 N ATOM 1629 CA GLY B 73 134.867 16.361 -14.259 1.00 38.51 C ATOM 1630 C GLY B 73 133.538 17.092 -14.305 1.00 37.34 C ATOM 1631 O GLY B 73 133.495 18.278 -14.635 1.00 41.02 O ATOM 0 H GLY B 73 135.160 15.493 -12.510 1.00 37.11 H new ATOM 0 HA2 GLY B 73 135.567 16.996 -14.040 1.00 38.51 H new ATOM 0 HA3 GLY B 73 135.065 16.014 -15.143 1.00 38.51 H new ATOM 1632 N ARG B 74 132.458 16.385 -13.971 1.00 35.19 N ATOM 1633 CA ARG B 74 131.101 16.944 -13.992 1.00 35.30 C ATOM 1634 C ARG B 74 130.661 17.447 -12.615 1.00 33.98 C ATOM 1635 O ARG B 74 130.017 18.492 -12.508 1.00 35.45 O ATOM 1636 CB ARG B 74 130.092 15.908 -14.509 1.00 32.84 C ATOM 1637 CG ARG B 74 130.430 15.310 -15.871 1.00 34.44 C ATOM 1638 CD ARG B 74 129.312 14.427 -16.411 1.00 33.38 C ATOM 1639 NE ARG B 74 128.985 13.288 -15.549 1.00 33.15 N ATOM 1640 CZ ARG B 74 127.833 13.141 -14.898 1.00 35.07 C ATOM 1641 NH1 ARG B 74 126.879 14.063 -14.999 1.00 34.21 N ATOM 1642 NH2 ARG B 74 127.625 12.067 -14.144 1.00 33.90 N ATOM 0 H ARG B 74 132.490 15.562 -13.724 1.00 35.19 H new ATOM 0 HA ARG B 74 131.122 17.703 -14.595 1.00 35.30 H new ATOM 0 HB2 ARG B 74 130.026 15.189 -13.862 1.00 32.84 H new ATOM 0 HB3 ARG B 74 129.218 16.325 -14.561 1.00 32.84 H new ATOM 0 HG2 ARG B 74 130.606 16.026 -16.501 1.00 34.44 H new ATOM 0 HG3 ARG B 74 131.245 14.788 -15.799 1.00 34.44 H new ATOM 0 HD2 ARG B 74 128.516 14.967 -16.534 1.00 33.38 H new ATOM 0 HD3 ARG B 74 129.568 14.096 -17.286 1.00 33.38 H new ATOM 0 HE ARG B 74 129.578 12.672 -15.457 1.00 33.15 H new ATOM 0 HH11 ARG B 74 127.004 14.760 -15.487 1.00 34.21 H new ATOM 0 HH12 ARG B 74 126.137 13.962 -14.576 1.00 34.21 H new ATOM 0 HH21 ARG B 74 128.235 11.465 -14.076 1.00 33.90 H new ATOM 0 HH22 ARG B 74 126.880 11.974 -13.724 1.00 33.90 H new ATOM 1643 N PHE B 75 131.006 16.692 -11.572 1.00 32.55 N ATOM 1644 CA PHE B 75 130.610 16.999 -10.196 1.00 31.35 C ATOM 1645 C PHE B 75 131.795 17.566 -9.413 1.00 31.73 C ATOM 1646 O PHE B 75 132.934 17.136 -9.601 1.00 32.26 O ATOM 1647 CB PHE B 75 130.089 15.737 -9.489 1.00 31.19 C ATOM 1648 CG PHE B 75 128.747 15.242 -9.981 1.00 29.72 C ATOM 1649 CD1 PHE B 75 128.249 15.588 -11.239 1.00 31.67 C ATOM 1650 CD2 PHE B 75 127.993 14.386 -9.185 1.00 30.21 C ATOM 1651 CE1 PHE B 75 127.021 15.108 -11.675 1.00 29.11 C ATOM 1652 CE2 PHE B 75 126.766 13.900 -9.617 1.00 32.49 C ATOM 1653 CZ PHE B 75 126.279 14.266 -10.865 1.00 31.35 C ATOM 0 H PHE B 75 131.482 15.979 -11.644 1.00 32.55 H new ATOM 0 HA PHE B 75 129.901 17.661 -10.228 1.00 31.35 H new ATOM 0 HB2 PHE B 75 130.741 15.028 -9.599 1.00 31.19 H new ATOM 0 HB3 PHE B 75 130.024 15.918 -8.538 1.00 31.19 H new ATOM 0 HD1 PHE B 75 128.746 16.147 -11.792 1.00 31.67 H new ATOM 0 HD2 PHE B 75 128.316 14.135 -8.350 1.00 30.21 H new ATOM 0 HE1 PHE B 75 126.697 15.352 -12.512 1.00 29.11 H new ATOM 0 HE2 PHE B 75 126.272 13.331 -9.072 1.00 32.49 H new ATOM 0 HZ PHE B 75 125.456 13.946 -11.156 1.00 31.35 H new ATOM 1654 N THR B 76 131.526 18.527 -8.531 1.00 29.94 N ATOM 1655 CA THR B 76 132.572 19.101 -7.682 1.00 30.99 C ATOM 1656 C THR B 76 132.090 19.208 -6.239 1.00 29.00 C ATOM 1657 O THR B 76 131.027 19.770 -5.973 1.00 29.15 O ATOM 1658 CB THR B 76 133.028 20.486 -8.191 1.00 33.23 C ATOM 1659 OG1 THR B 76 133.404 20.388 -9.568 1.00 36.37 O ATOM 1660 CG2 THR B 76 134.223 21.013 -7.380 1.00 35.22 C ATOM 0 H THR B 76 130.743 18.862 -8.408 1.00 29.94 H new ATOM 0 HA THR B 76 133.335 18.504 -7.720 1.00 30.99 H new ATOM 0 HB THR B 76 132.288 21.104 -8.086 1.00 33.23 H new ATOM 0 HG1 THR B 76 133.651 21.141 -9.846 1.00 36.37 H new ATOM 0 HG21 THR B 76 134.488 21.882 -7.721 1.00 35.22 H new ATOM 0 HG22 THR B 76 133.970 21.095 -6.447 1.00 35.22 H new ATOM 0 HG23 THR B 76 134.966 20.395 -7.460 1.00 35.22 H new ATOM 1661 N ILE B 77 132.870 18.648 -5.317 1.00 26.99 N ATOM 1662 CA ILE B 77 132.566 18.737 -3.889 1.00 25.04 C ATOM 1663 C ILE B 77 133.377 19.878 -3.270 1.00 23.78 C ATOM 1664 O ILE B 77 134.545 20.072 -3.591 1.00 23.07 O ATOM 1665 CB ILE B 77 132.814 17.387 -3.149 1.00 24.43 C ATOM 1666 CG1 ILE B 77 132.131 17.381 -1.772 1.00 24.09 C ATOM 1667 CG2 ILE B 77 134.306 17.071 -3.064 1.00 26.28 C ATOM 1668 CD1 ILE B 77 132.131 16.042 -1.050 1.00 21.41 C ATOM 0 H ILE B 77 133.586 18.208 -5.499 1.00 26.99 H new ATOM 0 HA ILE B 77 131.621 18.928 -3.786 1.00 25.04 H new ATOM 0 HB ILE B 77 132.408 16.675 -3.668 1.00 24.43 H new ATOM 0 HG12 ILE B 77 132.570 18.036 -1.207 1.00 24.09 H new ATOM 0 HG13 ILE B 77 131.212 17.672 -1.882 1.00 24.09 H new ATOM 0 HG21 ILE B 77 134.433 16.228 -2.600 1.00 26.28 H new ATOM 0 HG22 ILE B 77 134.675 17.006 -3.959 1.00 26.28 H new ATOM 0 HG23 ILE B 77 134.760 17.778 -2.579 1.00 26.28 H new ATOM 0 HD11 ILE B 77 131.681 16.135 -0.196 1.00 21.41 H new ATOM 0 HD12 ILE B 77 131.666 15.383 -1.590 1.00 21.41 H new ATOM 0 HD13 ILE B 77 133.045 15.753 -0.904 1.00 21.41 H new ATOM 1669 N SER B 78 132.736 20.648 -2.397 1.00 23.58 N ATOM 1670 CA SER B 78 133.418 21.711 -1.679 1.00 23.71 C ATOM 1671 C SER B 78 132.796 21.831 -0.295 1.00 22.05 C ATOM 1672 O SER B 78 131.766 21.217 -0.021 1.00 23.18 O ATOM 1673 CB SER B 78 133.330 23.036 -2.447 1.00 24.89 C ATOM 1674 OG SER B 78 131.982 23.428 -2.646 1.00 25.82 O ATOM 0 H SER B 78 131.901 20.568 -2.207 1.00 23.58 H new ATOM 0 HA SER B 78 134.361 21.499 -1.593 1.00 23.71 H new ATOM 0 HB2 SER B 78 133.801 23.728 -1.957 1.00 24.89 H new ATOM 0 HB3 SER B 78 133.772 22.945 -3.305 1.00 24.89 H new ATOM 0 HG SER B 78 131.705 23.119 -3.376 1.00 25.82 H new ATOM 1675 N ARG B 79 133.432 22.603 0.579 1.00 22.79 N ATOM 1676 CA ARG B 79 132.893 22.820 1.916 1.00 21.55 C ATOM 1677 C ARG B 79 133.179 24.214 2.470 1.00 19.96 C ATOM 1678 O ARG B 79 134.120 24.893 2.053 1.00 20.06 O ATOM 1679 CB ARG B 79 133.377 21.732 2.895 1.00 20.76 C ATOM 1680 CG ARG B 79 134.883 21.691 3.134 1.00 21.05 C ATOM 1681 CD ARG B 79 135.307 20.361 3.767 1.00 19.73 C ATOM 1682 NE ARG B 79 134.862 20.220 5.157 1.00 18.59 N ATOM 1683 CZ ARG B 79 134.880 19.079 5.843 1.00 18.29 C ATOM 1684 NH1 ARG B 79 134.463 19.055 7.104 1.00 18.67 N ATOM 1685 NH2 ARG B 79 135.313 17.957 5.273 1.00 16.67 N ATOM 0 H ARG B 79 134.173 23.009 0.419 1.00 22.79 H new ATOM 0 HA ARG B 79 131.929 22.756 1.827 1.00 21.55 H new ATOM 0 HB2 ARG B 79 132.933 21.864 3.747 1.00 20.76 H new ATOM 0 HB3 ARG B 79 133.094 20.867 2.559 1.00 20.76 H new ATOM 0 HG2 ARG B 79 135.350 21.815 2.293 1.00 21.05 H new ATOM 0 HG3 ARG B 79 135.141 22.425 3.713 1.00 21.05 H new ATOM 0 HD2 ARG B 79 134.947 19.629 3.242 1.00 19.73 H new ATOM 0 HD3 ARG B 79 136.273 20.286 3.733 1.00 19.73 H new ATOM 0 HE ARG B 79 134.569 20.923 5.557 1.00 18.59 H new ATOM 0 HH11 ARG B 79 134.181 19.777 7.478 1.00 18.67 H new ATOM 0 HH12 ARG B 79 134.475 18.318 7.547 1.00 18.67 H new ATOM 0 HH21 ARG B 79 135.583 17.966 4.457 1.00 16.67 H new ATOM 0 HH22 ARG B 79 135.322 17.223 5.721 1.00 16.67 H new ATOM 1686 N ASP B 80 132.331 24.627 3.402 1.00 20.95 N ATOM 1687 CA ASP B 80 132.527 25.852 4.164 1.00 21.68 C ATOM 1688 C ASP B 80 132.412 25.454 5.631 1.00 20.99 C ATOM 1689 O ASP B 80 131.303 25.248 6.141 1.00 21.24 O ATOM 1690 CB ASP B 80 131.453 26.887 3.789 1.00 23.42 C ATOM 1691 CG ASP B 80 131.685 28.254 4.437 1.00 29.78 C ATOM 1692 OD1 ASP B 80 132.301 28.325 5.523 1.00 26.44 O ATOM 1693 OD2 ASP B 80 131.238 29.269 3.852 1.00 31.31 O ATOM 0 H ASP B 80 131.616 24.198 3.613 1.00 20.95 H new ATOM 0 HA ASP B 80 133.388 26.259 3.979 1.00 21.68 H new ATOM 0 HB2 ASP B 80 131.434 26.991 2.825 1.00 23.42 H new ATOM 0 HB3 ASP B 80 130.582 26.553 4.055 1.00 23.42 H new ATOM 1694 N ASN B 81 133.557 25.322 6.302 1.00 20.98 N ATOM 1695 CA ASN B 81 133.574 24.888 7.700 1.00 20.81 C ATOM 1696 C ASN B 81 132.976 25.902 8.675 1.00 22.43 C ATOM 1697 O ASN B 81 132.411 25.525 9.705 1.00 23.37 O ATOM 1698 CB ASN B 81 134.986 24.462 8.124 1.00 21.21 C ATOM 1699 CG ASN B 81 135.433 23.180 7.442 1.00 23.40 C ATOM 1700 OD1 ASN B 81 134.634 22.494 6.807 1.00 25.83 O ATOM 1701 ND2 ASN B 81 136.714 22.850 7.574 1.00 24.07 N ATOM 0 H ASN B 81 134.333 25.478 5.967 1.00 20.98 H new ATOM 0 HA ASN B 81 132.989 24.116 7.746 1.00 20.81 H new ATOM 0 HB2 ASN B 81 135.612 25.172 7.914 1.00 21.21 H new ATOM 0 HB3 ASN B 81 135.009 24.339 9.086 1.00 21.21 H new ATOM 0 HD21 ASN B 81 137.013 22.132 7.207 1.00 24.07 H new ATOM 0 HD22 ASN B 81 137.244 23.355 8.026 1.00 24.07 H new ATOM 1702 N ALA B 82 133.083 27.184 8.336 1.00 22.82 N ATOM 1703 CA ALA B 82 132.453 28.236 9.140 1.00 23.61 C ATOM 1704 C ALA B 82 130.932 28.066 9.171 1.00 23.62 C ATOM 1705 O ALA B 82 130.279 28.447 10.147 1.00 27.49 O ATOM 1706 CB ALA B 82 132.845 29.617 8.627 1.00 22.72 C ATOM 0 H ALA B 82 133.513 27.468 7.648 1.00 22.82 H new ATOM 0 HA ALA B 82 132.776 28.154 10.051 1.00 23.61 H new ATOM 0 HB1 ALA B 82 132.419 30.298 9.171 1.00 22.72 H new ATOM 0 HB2 ALA B 82 133.808 29.720 8.677 1.00 22.72 H new ATOM 0 HB3 ALA B 82 132.558 29.714 7.706 1.00 22.72 H new ATOM 1707 N LYS B 83 130.383 27.469 8.113 1.00 22.21 N ATOM 1708 CA LYS B 83 128.945 27.207 8.006 1.00 24.28 C ATOM 1709 C LYS B 83 128.578 25.753 8.317 1.00 24.29 C ATOM 1710 O LYS B 83 127.395 25.385 8.300 1.00 23.44 O ATOM 1711 CB LYS B 83 128.441 27.587 6.608 1.00 26.22 C ATOM 1712 CG LYS B 83 128.416 29.086 6.335 1.00 29.80 C ATOM 1713 CD LYS B 83 127.853 29.372 4.948 1.00 33.94 C ATOM 1714 CE LYS B 83 127.762 30.865 4.671 1.00 36.35 C ATOM 1715 NZ LYS B 83 129.098 31.521 4.652 1.00 40.87 N ATOM 0 H LYS B 83 130.836 27.203 7.433 1.00 22.21 H new ATOM 0 HA LYS B 83 128.510 27.758 8.675 1.00 24.28 H new ATOM 0 HB2 LYS B 83 129.004 27.158 5.945 1.00 26.22 H new ATOM 0 HB3 LYS B 83 127.545 27.233 6.491 1.00 26.22 H new ATOM 0 HG2 LYS B 83 127.877 29.533 7.006 1.00 29.80 H new ATOM 0 HG3 LYS B 83 129.313 29.447 6.406 1.00 29.80 H new ATOM 0 HD2 LYS B 83 128.415 28.953 4.278 1.00 33.94 H new ATOM 0 HD3 LYS B 83 126.972 28.974 4.868 1.00 33.94 H new ATOM 0 HE2 LYS B 83 127.323 31.007 3.818 1.00 36.35 H new ATOM 0 HE3 LYS B 83 127.208 31.284 5.348 1.00 36.35 H new ATOM 0 HZ1 LYS B 83 129.071 32.264 5.141 1.00 40.87 H new ATOM 0 HZ2 LYS B 83 129.706 30.966 4.990 1.00 40.87 H new ATOM 0 HZ3 LYS B 83 129.317 31.725 3.814 1.00 40.87 H new ATOM 1716 N ASN B 84 129.591 24.930 8.605 1.00 24.50 N ATOM 1717 CA ASN B 84 129.387 23.504 8.893 1.00 23.75 C ATOM 1718 C ASN B 84 128.606 22.832 7.752 1.00 22.41 C ATOM 1719 O ASN B 84 127.701 22.036 7.995 1.00 23.97 O ATOM 1720 CB ASN B 84 128.657 23.334 10.239 1.00 23.03 C ATOM 1721 CG ASN B 84 129.105 22.109 11.019 1.00 24.58 C ATOM 1722 OD1 ASN B 84 130.246 21.659 10.907 1.00 22.70 O ATOM 1723 ND2 ASN B 84 128.203 21.578 11.845 1.00 24.33 N ATOM 0 H ASN B 84 130.413 25.181 8.639 1.00 24.50 H new ATOM 0 HA ASN B 84 130.252 23.070 8.959 1.00 23.75 H new ATOM 0 HB2 ASN B 84 128.803 24.125 10.781 1.00 23.03 H new ATOM 0 HB3 ASN B 84 127.703 23.274 10.076 1.00 23.03 H new ATOM 0 HD21 ASN B 84 128.409 20.895 12.325 1.00 24.33 H new ATOM 0 HD22 ASN B 84 127.415 21.919 11.898 1.00 24.33 H new ATOM 1724 N THR B 85 128.970 23.173 6.514 1.00 23.78 N ATOM 1725 CA THR B 85 128.219 22.769 5.321 1.00 23.79 C ATOM 1726 C THR B 85 129.141 22.207 4.232 1.00 23.22 C ATOM 1727 O THR B 85 130.258 22.690 4.040 1.00 22.91 O ATOM 1728 CB THR B 85 127.387 23.958 4.766 1.00 25.15 C ATOM 1729 OG1 THR B 85 126.484 24.416 5.776 1.00 26.20 O ATOM 1730 CG2 THR B 85 126.574 23.565 3.533 1.00 25.19 C ATOM 0 H THR B 85 129.665 23.649 6.341 1.00 23.78 H new ATOM 0 HA THR B 85 127.612 22.061 5.588 1.00 23.79 H new ATOM 0 HB THR B 85 128.011 24.656 4.511 1.00 25.15 H new ATOM 0 HG1 THR B 85 126.921 24.739 6.417 1.00 26.20 H new ATOM 0 HG21 THR B 85 126.071 24.332 3.219 1.00 25.19 H new ATOM 0 HG22 THR B 85 127.173 23.263 2.833 1.00 25.19 H new ATOM 0 HG23 THR B 85 125.961 22.850 3.764 1.00 25.19 H new ATOM 1731 N VAL B 86 128.659 21.176 3.536 1.00 22.90 N ATOM 1732 CA VAL B 86 129.338 20.602 2.379 1.00 23.19 C ATOM 1733 C VAL B 86 128.409 20.711 1.158 1.00 22.81 C ATOM 1734 O VAL B 86 127.182 20.607 1.290 1.00 25.57 O ATOM 1735 CB VAL B 86 129.789 19.134 2.647 1.00 23.51 C ATOM 1736 CG1 VAL B 86 128.596 18.224 2.907 1.00 22.57 C ATOM 1737 CG2 VAL B 86 130.640 18.592 1.504 1.00 26.21 C ATOM 0 H VAL B 86 127.917 20.786 3.728 1.00 22.90 H new ATOM 0 HA VAL B 86 130.151 21.100 2.201 1.00 23.19 H new ATOM 0 HB VAL B 86 130.337 19.146 3.447 1.00 23.51 H new ATOM 0 HG11 VAL B 86 128.908 17.320 3.070 1.00 22.57 H new ATOM 0 HG12 VAL B 86 128.109 18.542 3.683 1.00 22.57 H new ATOM 0 HG13 VAL B 86 128.010 18.229 2.134 1.00 22.57 H new ATOM 0 HG21 VAL B 86 130.904 17.680 1.701 1.00 26.21 H new ATOM 0 HG22 VAL B 86 130.126 18.609 0.681 1.00 26.21 H new ATOM 0 HG23 VAL B 86 131.432 19.142 1.401 1.00 26.21 H new ATOM 1738 N TYR B 87 128.998 20.936 -0.013 1.00 24.03 N ATOM 1739 CA TYR B 87 128.240 21.166 -1.243 1.00 26.03 C ATOM 1740 C TYR B 87 128.586 20.153 -2.330 1.00 26.55 C ATOM 1741 O TYR B 87 129.697 19.629 -2.368 1.00 27.36 O ATOM 1742 CB TYR B 87 128.518 22.573 -1.782 1.00 24.93 C ATOM 1743 CG TYR B 87 128.324 23.681 -0.772 1.00 27.82 C ATOM 1744 CD1 TYR B 87 127.068 24.243 -0.563 1.00 28.54 C ATOM 1745 CD2 TYR B 87 129.402 24.176 -0.034 1.00 28.36 C ATOM 1746 CE1 TYR B 87 126.884 25.260 0.363 1.00 29.40 C ATOM 1747 CE2 TYR B 87 129.230 25.197 0.893 1.00 29.50 C ATOM 1748 CZ TYR B 87 127.968 25.733 1.086 1.00 28.96 C ATOM 1749 OH TYR B 87 127.782 26.744 2.005 1.00 30.17 O ATOM 0 H TYR B 87 129.851 20.960 -0.118 1.00 24.03 H new ATOM 0 HA TYR B 87 127.302 21.068 -1.017 1.00 26.03 H new ATOM 0 HB2 TYR B 87 129.430 22.607 -2.111 1.00 24.93 H new ATOM 0 HB3 TYR B 87 127.937 22.737 -2.541 1.00 24.93 H new ATOM 0 HD1 TYR B 87 126.340 23.932 -1.052 1.00 28.54 H new ATOM 0 HD2 TYR B 87 130.249 23.816 -0.165 1.00 28.36 H new ATOM 0 HE1 TYR B 87 126.038 25.622 0.498 1.00 29.40 H new ATOM 0 HE2 TYR B 87 129.955 25.517 1.379 1.00 29.50 H new ATOM 0 HH TYR B 87 126.970 26.959 2.025 1.00 30.17 H new ATOM 1750 N LEU B 88 127.632 19.895 -3.221 1.00 27.92 N ATOM 1751 CA LEU B 88 127.906 19.123 -4.434 1.00 26.36 C ATOM 1752 C LEU B 88 127.369 19.859 -5.656 1.00 26.86 C ATOM 1753 O LEU B 88 126.158 19.902 -5.879 1.00 28.89 O ATOM 1754 CB LEU B 88 127.322 17.706 -4.345 1.00 27.49 C ATOM 1755 CG LEU B 88 127.650 16.752 -5.510 1.00 26.51 C ATOM 1756 CD1 LEU B 88 129.129 16.386 -5.546 1.00 25.94 C ATOM 1757 CD2 LEU B 88 126.803 15.495 -5.441 1.00 24.42 C ATOM 0 H LEU B 88 126.817 20.158 -3.143 1.00 27.92 H new ATOM 0 HA LEU B 88 128.868 19.032 -4.523 1.00 26.36 H new ATOM 0 HB2 LEU B 88 127.636 17.299 -3.522 1.00 27.49 H new ATOM 0 HB3 LEU B 88 126.357 17.779 -4.275 1.00 27.49 H new ATOM 0 HG LEU B 88 127.440 17.226 -6.330 1.00 26.51 H new ATOM 0 HD11 LEU B 88 129.296 15.786 -6.290 1.00 25.94 H new ATOM 0 HD12 LEU B 88 129.659 17.191 -5.655 1.00 25.94 H new ATOM 0 HD13 LEU B 88 129.374 15.947 -4.716 1.00 25.94 H new ATOM 0 HD21 LEU B 88 127.028 14.912 -6.183 1.00 24.42 H new ATOM 0 HD22 LEU B 88 126.975 15.034 -4.605 1.00 24.42 H new ATOM 0 HD23 LEU B 88 125.864 15.734 -5.491 1.00 24.42 H new ATOM 1758 N GLN B 89 128.280 20.449 -6.428 1.00 25.81 N ATOM 1759 CA GLN B 89 127.924 21.125 -7.673 1.00 28.92 C ATOM 1760 C GLN B 89 127.820 20.081 -8.774 1.00 30.17 C ATOM 1761 O GLN B 89 128.815 19.443 -9.120 1.00 29.77 O ATOM 1762 CB GLN B 89 128.967 22.190 -8.038 1.00 29.71 C ATOM 1763 CG GLN B 89 128.612 23.037 -9.264 1.00 34.55 C ATOM 1764 CD GLN B 89 127.289 23.779 -9.123 1.00 35.63 C ATOM 1765 OE1 GLN B 89 127.035 24.447 -8.115 1.00 34.90 O ATOM 1766 NE2 GLN B 89 126.436 23.666 -10.141 1.00 35.14 N ATOM 0 H GLN B 89 129.120 20.468 -6.245 1.00 25.81 H new ATOM 0 HA GLN B 89 127.073 21.578 -7.564 1.00 28.92 H new ATOM 0 HB2 GLN B 89 129.090 22.779 -7.277 1.00 29.71 H new ATOM 0 HB3 GLN B 89 129.817 21.752 -8.198 1.00 29.71 H new ATOM 0 HG2 GLN B 89 129.321 23.680 -9.421 1.00 34.55 H new ATOM 0 HG3 GLN B 89 128.572 22.463 -10.045 1.00 34.55 H new ATOM 0 HE21 GLN B 89 126.646 23.192 -10.827 1.00 35.14 H new ATOM 0 HE22 GLN B 89 125.676 24.067 -10.111 1.00 35.14 H new ATOM 1767 N MET B 90 126.610 19.909 -9.306 1.00 29.22 N ATOM 1768 CA MET B 90 126.324 18.879 -10.299 1.00 30.93 C ATOM 1769 C MET B 90 126.103 19.495 -11.681 1.00 33.70 C ATOM 1770 O MET B 90 125.014 19.993 -11.976 1.00 37.12 O ATOM 1771 CB MET B 90 125.092 18.066 -9.877 1.00 30.97 C ATOM 1772 CG MET B 90 125.190 17.413 -8.505 1.00 30.27 C ATOM 1773 SD MET B 90 123.621 16.774 -7.877 1.00 35.01 S ATOM 1774 CE MET B 90 123.408 15.314 -8.893 1.00 33.05 C ATOM 0 H MET B 90 125.929 20.391 -9.098 1.00 29.22 H new ATOM 0 HA MET B 90 127.091 18.287 -10.352 1.00 30.93 H new ATOM 0 HB2 MET B 90 124.317 18.649 -9.888 1.00 30.97 H new ATOM 0 HB3 MET B 90 124.936 17.374 -10.539 1.00 30.97 H new ATOM 0 HG2 MET B 90 125.830 16.685 -8.549 1.00 30.27 H new ATOM 0 HG3 MET B 90 125.540 18.061 -7.874 1.00 30.27 H new ATOM 0 HE1 MET B 90 122.545 14.912 -8.706 1.00 33.05 H new ATOM 0 HE2 MET B 90 123.452 15.562 -9.830 1.00 33.05 H new ATOM 0 HE3 MET B 90 124.111 14.676 -8.695 1.00 33.05 H new ATOM 1775 N ASN B 91 127.138 19.463 -12.518 1.00 34.16 N ATOM 1776 CA ASN B 91 127.061 19.985 -13.888 1.00 37.63 C ATOM 1777 C ASN B 91 126.878 18.879 -14.931 1.00 39.08 C ATOM 1778 O ASN B 91 127.053 17.695 -14.624 1.00 38.20 O ATOM 1779 CB ASN B 91 128.304 20.825 -14.217 1.00 35.66 C ATOM 1780 CG ASN B 91 128.403 22.088 -13.373 1.00 36.85 C ATOM 1781 OD1 ASN B 91 127.414 22.552 -12.800 1.00 35.04 O ATOM 1782 ND2 ASN B 91 129.603 22.657 -13.304 1.00 32.96 N ATOM 0 H ASN B 91 127.907 19.138 -12.310 1.00 34.16 H new ATOM 0 HA ASN B 91 126.273 20.549 -13.928 1.00 37.63 H new ATOM 0 HB2 ASN B 91 129.099 20.286 -14.080 1.00 35.66 H new ATOM 0 HB3 ASN B 91 128.285 21.069 -15.156 1.00 35.66 H new ATOM 0 HD21 ASN B 91 129.712 23.377 -12.846 1.00 32.96 H new ATOM 0 HD22 ASN B 91 130.270 22.305 -13.717 1.00 32.96 H new ATOM 1783 N SER B 92 126.527 19.274 -16.159 1.00 39.79 N ATOM 1784 CA SER B 92 126.351 18.347 -17.288 1.00 38.03 C ATOM 1785 C SER B 92 125.523 17.114 -16.922 1.00 37.17 C ATOM 1786 O SER B 92 125.940 15.980 -17.170 1.00 40.29 O ATOM 1787 CB SER B 92 127.712 17.929 -17.862 1.00 38.46 C ATOM 1788 OG SER B 92 128.449 19.053 -18.308 1.00 41.19 O ATOM 0 H SER B 92 126.382 20.097 -16.364 1.00 39.79 H new ATOM 0 HA SER B 92 125.852 18.828 -17.967 1.00 38.03 H new ATOM 0 HB2 SER B 92 128.219 17.455 -17.185 1.00 38.46 H new ATOM 0 HB3 SER B 92 127.579 17.313 -18.600 1.00 38.46 H new ATOM 0 HG SER B 92 129.188 18.799 -18.616 1.00 41.19 H new ATOM 1789 N LEU B 93 124.354 17.344 -16.328 1.00 36.76 N ATOM 1790 CA LEU B 93 123.512 16.261 -15.811 1.00 38.19 C ATOM 1791 C LEU B 93 123.090 15.253 -16.879 1.00 42.55 C ATOM 1792 O LEU B 93 122.864 15.612 -18.035 1.00 42.88 O ATOM 1793 CB LEU B 93 122.288 16.823 -15.076 1.00 36.11 C ATOM 1794 CG LEU B 93 122.565 17.448 -13.703 1.00 37.37 C ATOM 1795 CD1 LEU B 93 121.435 18.375 -13.281 1.00 36.57 C ATOM 1796 CD2 LEU B 93 122.824 16.388 -12.639 1.00 34.76 C ATOM 0 H LEU B 93 124.025 18.130 -16.212 1.00 36.76 H new ATOM 0 HA LEU B 93 124.062 15.771 -15.180 1.00 38.19 H new ATOM 0 HB2 LEU B 93 121.872 17.494 -15.640 1.00 36.11 H new ATOM 0 HB3 LEU B 93 121.643 16.108 -14.963 1.00 36.11 H new ATOM 0 HG LEU B 93 123.373 17.977 -13.789 1.00 37.37 H new ATOM 0 HD11 LEU B 93 121.636 18.755 -12.412 1.00 36.57 H new ATOM 0 HD12 LEU B 93 121.341 19.088 -13.932 1.00 36.57 H new ATOM 0 HD13 LEU B 93 120.606 17.873 -13.230 1.00 36.57 H new ATOM 0 HD21 LEU B 93 122.995 16.819 -11.787 1.00 34.76 H new ATOM 0 HD22 LEU B 93 122.047 15.812 -12.560 1.00 34.76 H new ATOM 0 HD23 LEU B 93 123.595 15.857 -12.892 1.00 34.76 H new ATOM 1797 N LYS B 94 123.009 13.987 -16.474 1.00 45.97 N ATOM 1798 CA LYS B 94 122.652 12.885 -17.367 1.00 47.43 C ATOM 1799 C LYS B 94 121.537 12.055 -16.731 1.00 49.16 C ATOM 1800 O LYS B 94 121.430 12.018 -15.502 1.00 49.02 O ATOM 1801 CB LYS B 94 123.878 12.004 -17.646 1.00 44.52 C ATOM 1802 CG LYS B 94 124.982 12.687 -18.441 1.00 45.79 C ATOM 1803 CD LYS B 94 126.223 11.813 -18.547 1.00 47.21 C ATOM 1804 CE LYS B 94 127.390 12.582 -19.148 1.00 47.82 C ATOM 1805 NZ LYS B 94 128.635 11.766 -19.188 1.00 50.43 N ATOM 0 H LYS B 94 123.161 13.741 -15.664 1.00 45.97 H new ATOM 0 HA LYS B 94 122.339 13.248 -18.211 1.00 47.43 H new ATOM 0 HB2 LYS B 94 124.244 11.703 -16.800 1.00 44.52 H new ATOM 0 HB3 LYS B 94 123.590 11.213 -18.128 1.00 44.52 H new ATOM 0 HG2 LYS B 94 124.658 12.898 -19.330 1.00 45.79 H new ATOM 0 HG3 LYS B 94 125.214 13.528 -18.017 1.00 45.79 H new ATOM 0 HD2 LYS B 94 126.467 11.486 -17.667 1.00 47.21 H new ATOM 0 HD3 LYS B 94 126.028 11.036 -19.094 1.00 47.21 H new ATOM 0 HE2 LYS B 94 127.161 12.865 -20.047 1.00 47.82 H new ATOM 0 HE3 LYS B 94 127.548 13.386 -18.629 1.00 47.82 H new ATOM 0 HZ1 LYS B 94 129.294 12.247 -19.544 1.00 50.43 H new ATOM 0 HZ2 LYS B 94 128.858 11.524 -18.361 1.00 50.43 H new ATOM 0 HZ3 LYS B 94 128.498 11.039 -19.682 1.00 50.43 H new ATOM 1806 N PRO B 95 120.698 11.389 -17.557 1.00 52.02 N ATOM 1807 CA PRO B 95 119.602 10.566 -17.021 1.00 53.36 C ATOM 1808 C PRO B 95 120.087 9.510 -16.027 1.00 53.73 C ATOM 1809 O PRO B 95 119.330 9.087 -15.151 1.00 55.27 O ATOM 1810 CB PRO B 95 119.028 9.889 -18.270 1.00 55.34 C ATOM 1811 CG PRO B 95 119.377 10.804 -19.391 1.00 52.55 C ATOM 1812 CD PRO B 95 120.718 11.376 -19.034 1.00 51.40 C ATOM 0 HA PRO B 95 118.961 11.101 -16.527 1.00 53.36 H new ATOM 0 HB2 PRO B 95 119.413 9.008 -18.401 1.00 55.34 H new ATOM 0 HB3 PRO B 95 118.068 9.771 -18.197 1.00 55.34 H new ATOM 0 HG2 PRO B 95 119.414 10.326 -20.234 1.00 52.55 H new ATOM 0 HG3 PRO B 95 118.713 11.504 -19.491 1.00 52.55 H new ATOM 0 HD2 PRO B 95 121.443 10.831 -19.378 1.00 51.40 H new ATOM 0 HD3 PRO B 95 120.836 12.267 -19.399 1.00 51.40 H new ATOM 1813 N GLU B 96 121.349 9.111 -16.172 1.00 55.48 N ATOM 1814 CA GLU B 96 122.000 8.130 -15.304 1.00 55.51 C ATOM 1815 C GLU B 96 122.188 8.650 -13.877 1.00 52.55 C ATOM 1816 O GLU B 96 122.318 7.862 -12.939 1.00 50.99 O ATOM 1817 CB GLU B 96 123.365 7.744 -15.884 1.00 60.30 C ATOM 1818 CG GLU B 96 123.371 7.513 -17.389 1.00 66.40 C ATOM 1819 CD GLU B 96 124.677 7.932 -18.039 1.00 72.88 C ATOM 1820 OE1 GLU B 96 124.638 8.787 -18.948 1.00 69.11 O ATOM 1821 OE2 GLU B 96 125.745 7.418 -17.638 1.00 76.30 O ATOM 0 H GLU B 96 121.863 9.410 -16.793 1.00 55.48 H new ATOM 0 HA GLU B 96 121.419 7.354 -15.264 1.00 55.51 H new ATOM 0 HB2 GLU B 96 124.003 8.444 -15.673 1.00 60.30 H new ATOM 0 HB3 GLU B 96 123.674 6.937 -15.443 1.00 60.30 H new ATOM 0 HG2 GLU B 96 123.211 6.573 -17.569 1.00 66.40 H new ATOM 0 HG3 GLU B 96 122.640 8.008 -17.792 1.00 66.40 H new ATOM 1822 N ASP B 97 122.206 9.974 -13.723 1.00 46.68 N ATOM 1823 CA ASP B 97 122.408 10.609 -12.418 1.00 42.41 C ATOM 1824 C ASP B 97 121.175 10.555 -11.510 1.00 43.36 C ATOM 1825 O ASP B 97 121.263 10.858 -10.317 1.00 43.28 O ATOM 1826 CB ASP B 97 122.881 12.057 -12.594 1.00 38.26 C ATOM 1827 CG ASP B 97 124.249 12.152 -13.252 1.00 36.40 C ATOM 1828 OD1 ASP B 97 125.121 11.307 -12.957 1.00 34.78 O ATOM 1829 OD2 ASP B 97 124.459 13.082 -14.058 1.00 35.83 O ATOM 0 H ASP B 97 122.102 10.530 -14.371 1.00 46.68 H new ATOM 0 HA ASP B 97 123.096 10.093 -11.970 1.00 42.41 H new ATOM 0 HB2 ASP B 97 122.234 12.542 -13.130 1.00 38.26 H new ATOM 0 HB3 ASP B 97 122.913 12.491 -11.727 1.00 38.26 H new ATOM 1830 N THR B 98 120.034 10.164 -12.073 1.00 42.58 N ATOM 1831 CA THR B 98 118.779 10.061 -11.320 1.00 43.12 C ATOM 1832 C THR B 98 118.910 9.098 -10.134 1.00 42.81 C ATOM 1833 O THR B 98 119.116 7.896 -10.315 1.00 43.61 O ATOM 1834 CB THR B 98 117.609 9.651 -12.243 1.00 41.81 C ATOM 1835 OG1 THR B 98 117.513 10.586 -13.325 1.00 39.39 O ATOM 1836 CG2 THR B 98 116.285 9.619 -11.482 1.00 41.08 C ATOM 0 H THR B 98 119.963 9.950 -12.903 1.00 42.58 H new ATOM 0 HA THR B 98 118.583 10.940 -10.960 1.00 43.12 H new ATOM 0 HB THR B 98 117.785 8.759 -12.582 1.00 41.81 H new ATOM 0 HG1 THR B 98 117.974 10.314 -13.972 1.00 39.39 H new ATOM 0 HG21 THR B 98 115.571 9.359 -12.085 1.00 41.08 H new ATOM 0 HG22 THR B 98 116.344 8.978 -10.756 1.00 41.08 H new ATOM 0 HG23 THR B 98 116.098 10.499 -11.120 1.00 41.08 H new ATOM 1837 N ALA B 99 118.806 9.650 -8.925 1.00 41.15 N ATOM 1838 CA ALA B 99 118.993 8.892 -7.686 1.00 42.78 C ATOM 1839 C ALA B 99 118.616 9.717 -6.458 1.00 40.96 C ATOM 1840 O ALA B 99 118.458 10.936 -6.541 1.00 41.02 O ATOM 1841 CB ALA B 99 120.440 8.422 -7.568 1.00 42.06 C ATOM 0 H ALA B 99 118.624 10.481 -8.799 1.00 41.15 H new ATOM 0 HA ALA B 99 118.404 8.122 -7.723 1.00 42.78 H new ATOM 0 HB1 ALA B 99 120.552 7.922 -6.745 1.00 42.06 H new ATOM 0 HB2 ALA B 99 120.659 7.854 -8.323 1.00 42.06 H new ATOM 0 HB3 ALA B 99 121.031 9.191 -7.561 1.00 42.06 H new ATOM 1842 N VAL B 100 118.466 9.038 -5.323 1.00 39.81 N ATOM 1843 CA VAL B 100 118.374 9.708 -4.029 1.00 37.92 C ATOM 1844 C VAL B 100 119.804 9.974 -3.560 1.00 38.90 C ATOM 1845 O VAL B 100 120.606 9.042 -3.451 1.00 35.05 O ATOM 1846 CB VAL B 100 117.619 8.854 -2.986 1.00 39.27 C ATOM 1847 CG1 VAL B 100 117.462 9.614 -1.674 1.00 38.88 C ATOM 1848 CG2 VAL B 100 116.256 8.427 -3.518 1.00 41.15 C ATOM 0 H VAL B 100 118.415 8.181 -5.282 1.00 39.81 H new ATOM 0 HA VAL B 100 117.872 10.533 -4.123 1.00 37.92 H new ATOM 0 HB VAL B 100 118.145 8.057 -2.817 1.00 39.27 H new ATOM 0 HG11 VAL B 100 116.986 9.061 -1.034 1.00 38.88 H new ATOM 0 HG12 VAL B 100 118.338 9.835 -1.321 1.00 38.88 H new ATOM 0 HG13 VAL B 100 116.961 10.430 -1.830 1.00 38.88 H new ATOM 0 HG21 VAL B 100 115.800 7.893 -2.849 1.00 41.15 H new ATOM 0 HG22 VAL B 100 115.726 9.214 -3.719 1.00 41.15 H new ATOM 0 HG23 VAL B 100 116.373 7.902 -4.325 1.00 41.15 H new ATOM 1849 N TYR B 101 120.121 11.241 -3.300 1.00 34.36 N ATOM 1850 CA TYR B 101 121.472 11.637 -2.889 1.00 34.28 C ATOM 1851 C TYR B 101 121.563 11.872 -1.383 1.00 34.74 C ATOM 1852 O TYR B 101 120.741 12.590 -0.810 1.00 32.97 O ATOM 1853 CB TYR B 101 121.927 12.885 -3.651 1.00 33.21 C ATOM 1854 CG TYR B 101 122.341 12.622 -5.081 1.00 31.94 C ATOM 1855 CD1 TYR B 101 121.390 12.357 -6.067 1.00 33.89 C ATOM 1856 CD2 TYR B 101 123.687 12.629 -5.449 1.00 29.64 C ATOM 1857 CE1 TYR B 101 121.766 12.112 -7.377 1.00 32.34 C ATOM 1858 CE2 TYR B 101 124.076 12.380 -6.757 1.00 32.58 C ATOM 1859 CZ TYR B 101 123.109 12.122 -7.716 1.00 33.49 C ATOM 1860 OH TYR B 101 123.485 11.880 -9.014 1.00 36.01 O ATOM 0 H TYR B 101 119.564 11.894 -3.356 1.00 34.36 H new ATOM 0 HA TYR B 101 122.066 10.902 -3.108 1.00 34.28 H new ATOM 0 HB2 TYR B 101 121.206 13.534 -3.648 1.00 33.21 H new ATOM 0 HB3 TYR B 101 122.672 13.287 -3.178 1.00 33.21 H new ATOM 0 HD1 TYR B 101 120.488 12.345 -5.840 1.00 33.89 H new ATOM 0 HD2 TYR B 101 124.335 12.804 -4.805 1.00 29.64 H new ATOM 0 HE1 TYR B 101 121.121 11.942 -8.025 1.00 32.34 H new ATOM 0 HE2 TYR B 101 124.977 12.386 -6.988 1.00 32.58 H new ATOM 0 HH TYR B 101 122.833 11.567 -9.441 1.00 36.01 H new ATOM 1861 N TYR B 102 122.568 11.258 -0.756 1.00 31.82 N ATOM 1862 CA TYR B 102 122.784 11.363 0.684 1.00 30.09 C ATOM 1863 C TYR B 102 124.115 12.054 0.986 1.00 27.42 C ATOM 1864 O TYR B 102 125.136 11.733 0.381 1.00 26.11 O ATOM 1865 CB TYR B 102 122.800 9.970 1.325 1.00 32.24 C ATOM 1866 CG TYR B 102 121.525 9.165 1.162 1.00 35.69 C ATOM 1867 CD1 TYR B 102 121.341 8.321 0.063 1.00 38.09 C ATOM 1868 CD2 TYR B 102 120.515 9.225 2.123 1.00 37.80 C ATOM 1869 CE1 TYR B 102 120.177 7.577 -0.082 1.00 39.64 C ATOM 1870 CE2 TYR B 102 119.348 8.487 1.987 1.00 41.21 C ATOM 1871 CZ TYR B 102 119.183 7.665 0.885 1.00 41.88 C ATOM 1872 OH TYR B 102 118.025 6.930 0.755 1.00 45.90 O ATOM 0 H TYR B 102 123.146 10.766 -1.159 1.00 31.82 H new ATOM 0 HA TYR B 102 122.056 11.888 1.052 1.00 30.09 H new ATOM 0 HB2 TYR B 102 123.535 9.464 0.945 1.00 32.24 H new ATOM 0 HB3 TYR B 102 122.984 10.069 2.272 1.00 32.24 H new ATOM 0 HD1 TYR B 102 122.009 8.257 -0.581 1.00 38.09 H new ATOM 0 HD2 TYR B 102 120.626 9.770 2.868 1.00 37.80 H new ATOM 0 HE1 TYR B 102 120.064 7.024 -0.821 1.00 39.64 H new ATOM 0 HE2 TYR B 102 118.681 8.544 2.632 1.00 41.21 H new ATOM 0 HH TYR B 102 117.521 7.083 1.409 1.00 45.90 H new ATOM 1873 N CYS B 103 124.109 12.997 1.921 1.00 24.71 N ATOM 1874 CA CYS B 103 125.373 13.490 2.459 1.00 25.77 C ATOM 1875 C CYS B 103 125.764 12.658 3.678 1.00 25.16 C ATOM 1876 O CYS B 103 124.914 12.049 4.332 1.00 27.37 O ATOM 1877 CB CYS B 103 125.336 14.993 2.759 0.31 25.31 C ATOM 1878 SG CYS B 103 124.250 15.522 4.097 0.31 25.69 S ATOM 0 H CYS B 103 123.402 13.358 2.252 1.00 24.71 H new ATOM 0 HA CYS B 103 126.059 13.384 1.782 1.00 25.77 H new ATOM 0 HB2 CYS B 103 126.238 15.283 2.968 0.31 25.31 H new ATOM 0 HB3 CYS B 103 125.069 15.457 1.950 0.31 25.31 H new ATOM 1879 N ALA B 104 127.060 12.618 3.964 1.00 24.29 N ATOM 1880 CA ALA B 104 127.590 11.767 5.027 1.00 22.64 C ATOM 1881 C ALA B 104 128.855 12.388 5.592 1.00 21.24 C ATOM 1882 O ALA B 104 129.524 13.168 4.911 1.00 21.62 O ATOM 1883 CB ALA B 104 127.879 10.369 4.500 1.00 22.86 C ATOM 0 H ALA B 104 127.656 13.080 3.551 1.00 24.29 H new ATOM 0 HA ALA B 104 126.927 11.694 5.731 1.00 22.64 H new ATOM 0 HB1 ALA B 104 128.230 9.819 5.218 1.00 22.86 H new ATOM 0 HB2 ALA B 104 127.060 9.975 4.161 1.00 22.86 H new ATOM 0 HB3 ALA B 104 128.532 10.421 3.785 1.00 22.86 H new ATOM 1884 N ALA B 105 129.178 12.034 6.833 1.00 20.78 N ATOM 1885 CA ALA B 105 130.374 12.556 7.493 1.00 21.26 C ATOM 1886 C ALA B 105 131.003 11.556 8.457 1.00 21.12 C ATOM 1887 O ALA B 105 130.311 10.703 9.028 1.00 20.46 O ATOM 1888 CB ALA B 105 130.051 13.856 8.219 1.00 21.93 C ATOM 0 H ALA B 105 128.716 11.490 7.313 1.00 20.78 H new ATOM 0 HA ALA B 105 131.028 12.725 6.797 1.00 21.26 H new ATOM 0 HB1 ALA B 105 130.851 14.192 8.652 1.00 21.93 H new ATOM 0 HB2 ALA B 105 129.729 14.512 7.581 1.00 21.93 H new ATOM 0 HB3 ALA B 105 129.367 13.693 8.887 1.00 21.93 H new ATOM 1889 N ALA B 106 132.319 11.695 8.628 1.00 19.26 N ATOM 1890 CA ALA B 106 133.136 10.902 9.562 1.00 18.12 C ATOM 1891 C ALA B 106 133.176 9.397 9.249 1.00 18.95 C ATOM 1892 O ALA B 106 132.562 8.593 9.973 1.00 19.49 O ATOM 1893 CB ALA B 106 132.708 11.156 11.008 1.00 18.36 C ATOM 0 H ALA B 106 132.780 12.273 8.189 1.00 19.26 H new ATOM 0 HA ALA B 106 134.047 11.211 9.441 1.00 18.12 H new ATOM 0 HB1 ALA B 106 133.257 10.625 11.606 1.00 18.36 H new ATOM 0 HB2 ALA B 106 132.818 12.097 11.218 1.00 18.36 H new ATOM 0 HB3 ALA B 106 131.777 10.907 11.119 1.00 18.36 H new ATOM 1894 N PRO B 107 133.915 9.007 8.186 1.00 17.72 N ATOM 1895 CA PRO B 107 133.982 7.586 7.816 1.00 18.09 C ATOM 1896 C PRO B 107 134.730 6.768 8.870 1.00 19.19 C ATOM 1897 O PRO B 107 135.702 7.260 9.446 1.00 18.91 O ATOM 1898 CB PRO B 107 134.754 7.602 6.492 1.00 18.96 C ATOM 1899 CG PRO B 107 135.570 8.862 6.527 1.00 18.82 C ATOM 1900 CD PRO B 107 134.747 9.851 7.303 1.00 18.60 C ATOM 0 HA PRO B 107 133.106 7.177 7.745 1.00 18.09 H new ATOM 0 HB2 PRO B 107 135.321 6.820 6.408 1.00 18.96 H new ATOM 0 HB3 PRO B 107 134.149 7.597 5.734 1.00 18.96 H new ATOM 0 HG2 PRO B 107 136.428 8.711 6.953 1.00 18.82 H new ATOM 0 HG3 PRO B 107 135.752 9.186 5.631 1.00 18.82 H new ATOM 0 HD2 PRO B 107 135.307 10.456 7.814 1.00 18.60 H new ATOM 0 HD3 PRO B 107 134.201 10.397 6.716 1.00 18.60 H new ATOM 1901 N TYR B 108 134.273 5.543 9.131 1.00 18.98 N ATOM 1902 CA TYR B 108 134.950 4.674 10.103 1.00 18.52 C ATOM 1903 C TYR B 108 135.461 3.360 9.502 1.00 17.81 C ATOM 1904 O TYR B 108 136.048 2.528 10.204 1.00 16.12 O ATOM 1905 CB TYR B 108 134.072 4.426 11.328 1.00 21.19 C ATOM 1906 CG TYR B 108 132.776 3.717 11.033 1.00 22.72 C ATOM 1907 CD1 TYR B 108 132.703 2.321 11.050 1.00 26.33 C ATOM 1908 CD2 TYR B 108 131.615 4.438 10.759 1.00 26.54 C ATOM 1909 CE1 TYR B 108 131.511 1.666 10.788 1.00 29.66 C ATOM 1910 CE2 TYR B 108 130.421 3.795 10.497 1.00 29.45 C ATOM 1911 CZ TYR B 108 130.373 2.411 10.516 1.00 31.42 C ATOM 1912 OH TYR B 108 129.185 1.776 10.255 1.00 36.07 O ATOM 0 H TYR B 108 133.579 5.196 8.761 1.00 18.98 H new ATOM 0 HA TYR B 108 135.742 5.157 10.387 1.00 18.52 H new ATOM 0 HB2 TYR B 108 134.575 3.903 11.972 1.00 21.19 H new ATOM 0 HB3 TYR B 108 133.874 5.278 11.748 1.00 21.19 H new ATOM 0 HD1 TYR B 108 133.466 1.825 11.240 1.00 26.33 H new ATOM 0 HD2 TYR B 108 131.645 5.367 10.752 1.00 26.54 H new ATOM 0 HE1 TYR B 108 131.474 0.737 10.794 1.00 29.66 H new ATOM 0 HE2 TYR B 108 129.655 4.288 10.309 1.00 29.45 H new ATOM 0 HH TYR B 108 128.587 2.348 10.110 1.00 36.07 H new ATOM 1913 N GLY B 109 135.242 3.185 8.201 1.00 16.05 N ATOM 1914 CA GLY B 109 135.867 2.097 7.447 1.00 15.97 C ATOM 1915 C GLY B 109 137.287 2.424 7.012 1.00 16.74 C ATOM 1916 O GLY B 109 137.831 3.487 7.350 1.00 16.12 O ATOM 0 H GLY B 109 134.729 3.691 7.731 1.00 16.05 H new ATOM 0 HA2 GLY B 109 135.876 1.295 7.992 1.00 15.97 H new ATOM 0 HA3 GLY B 109 135.330 1.901 6.663 1.00 15.97 H new ATOM 1917 N ALA B 110 137.901 1.502 6.272 1.00 15.81 N ATOM 1918 CA ALA B 110 139.308 1.629 5.877 1.00 16.17 C ATOM 1919 C ALA B 110 139.610 2.834 4.975 1.00 15.32 C ATOM 1920 O ALA B 110 140.717 3.373 5.009 1.00 15.58 O ATOM 1921 CB ALA B 110 139.799 0.341 5.230 1.00 16.72 C ATOM 0 H ALA B 110 137.518 0.788 5.985 1.00 15.81 H new ATOM 0 HA ALA B 110 139.795 1.792 6.700 1.00 16.17 H new ATOM 0 HB1 ALA B 110 140.729 0.441 4.975 1.00 16.72 H new ATOM 0 HB2 ALA B 110 139.714 -0.391 5.861 1.00 16.72 H new ATOM 0 HB3 ALA B 110 139.267 0.151 4.442 1.00 16.72 H new ATOM 1922 N ASN B 111 138.636 3.253 4.173 1.00 16.66 N ATOM 1923 CA ASN B 111 138.856 4.382 3.253 1.00 17.55 C ATOM 1924 C ASN B 111 137.546 5.140 3.032 1.00 17.70 C ATOM 1925 O ASN B 111 136.496 4.693 3.494 1.00 17.92 O ATOM 1926 CB ASN B 111 139.479 3.887 1.937 1.00 19.24 C ATOM 1927 CG ASN B 111 138.579 2.914 1.194 1.00 20.56 C ATOM 1928 OD1 ASN B 111 137.477 3.269 0.773 1.00 20.48 O ATOM 1929 ND2 ASN B 111 139.040 1.677 1.036 1.00 19.54 N ATOM 0 H ASN B 111 137.849 2.907 4.141 1.00 16.66 H new ATOM 0 HA ASN B 111 139.487 5.004 3.647 1.00 17.55 H new ATOM 0 HB2 ASN B 111 139.668 4.648 1.366 1.00 19.24 H new ATOM 0 HB3 ASN B 111 140.328 3.457 2.126 1.00 19.24 H new ATOM 0 HD21 ASN B 111 138.564 1.090 0.627 1.00 19.54 H new ATOM 0 HD22 ASN B 111 139.815 1.464 1.343 1.00 19.54 H new ATOM 1930 N TRP B 112 137.601 6.286 2.350 1.00 18.57 N ATOM 1931 CA TRP B 112 136.423 7.158 2.238 1.00 20.44 C ATOM 1932 C TRP B 112 135.408 6.698 1.180 1.00 21.70 C ATOM 1933 O TRP B 112 134.279 7.200 1.148 1.00 21.81 O ATOM 1934 CB TRP B 112 136.813 8.624 1.983 1.00 18.96 C ATOM 1935 CG TRP B 112 137.861 9.208 2.917 1.00 19.43 C ATOM 1936 CD1 TRP B 112 138.349 8.657 4.077 1.00 19.34 C ATOM 1937 CD2 TRP B 112 138.520 10.473 2.769 1.00 19.25 C ATOM 1938 NE1 TRP B 112 139.294 9.494 4.638 1.00 19.70 N ATOM 1939 CE2 TRP B 112 139.412 10.614 3.858 1.00 18.91 C ATOM 1940 CE3 TRP B 112 138.449 11.500 1.813 1.00 20.83 C ATOM 1941 CZ2 TRP B 112 140.224 11.743 4.020 1.00 19.86 C ATOM 1942 CZ3 TRP B 112 139.261 12.621 1.972 1.00 20.75 C ATOM 1943 CH2 TRP B 112 140.139 12.730 3.069 1.00 20.73 C ATOM 0 H TRP B 112 138.303 6.577 1.947 1.00 18.57 H new ATOM 0 HA TRP B 112 135.985 7.091 3.101 1.00 20.44 H new ATOM 0 HB2 TRP B 112 137.139 8.700 1.073 1.00 18.96 H new ATOM 0 HB3 TRP B 112 136.012 9.168 2.044 1.00 18.96 H new ATOM 0 HD1 TRP B 112 138.082 7.840 4.433 1.00 19.34 H new ATOM 0 HE1 TRP B 112 139.736 9.338 5.359 1.00 19.70 H new ATOM 0 HE3 TRP B 112 137.871 11.433 1.088 1.00 20.83 H new ATOM 0 HZ2 TRP B 112 140.800 11.822 4.746 1.00 19.86 H new ATOM 0 HZ3 TRP B 112 139.223 13.307 1.345 1.00 20.75 H new ATOM 0 HH2 TRP B 112 140.673 13.487 3.151 1.00 20.73 H new ATOM 1944 N TYR B 113 135.815 5.752 0.330 1.00 24.06 N ATOM 1945 CA TYR B 113 134.929 5.166 -0.688 1.00 26.47 C ATOM 1946 C TYR B 113 133.877 4.231 -0.077 1.00 27.75 C ATOM 1947 O TYR B 113 132.781 4.067 -0.626 1.00 26.81 O ATOM 1948 CB TYR B 113 135.741 4.400 -1.744 1.00 27.40 C ATOM 1949 CG TYR B 113 136.624 5.255 -2.632 1.00 30.12 C ATOM 1950 CD1 TYR B 113 137.941 5.551 -2.270 1.00 32.68 C ATOM 1951 CD2 TYR B 113 136.154 5.744 -3.849 1.00 31.97 C ATOM 1952 CE1 TYR B 113 138.752 6.332 -3.082 1.00 33.87 C ATOM 1953 CE2 TYR B 113 136.958 6.520 -4.672 1.00 33.86 C ATOM 1954 CZ TYR B 113 138.254 6.813 -4.283 1.00 33.81 C ATOM 1955 OH TYR B 113 139.052 7.583 -5.103 1.00 40.02 O ATOM 0 H TYR B 113 136.613 5.430 0.325 1.00 24.06 H new ATOM 0 HA TYR B 113 134.465 5.907 -1.108 1.00 26.47 H new ATOM 0 HB2 TYR B 113 136.298 3.748 -1.291 1.00 27.40 H new ATOM 0 HB3 TYR B 113 135.125 3.905 -2.307 1.00 27.40 H new ATOM 0 HD1 TYR B 113 138.280 5.219 -1.470 1.00 32.68 H new ATOM 0 HD2 TYR B 113 135.285 5.547 -4.115 1.00 31.97 H new ATOM 0 HE1 TYR B 113 139.623 6.531 -2.822 1.00 33.87 H new ATOM 0 HE2 TYR B 113 136.628 6.841 -5.480 1.00 33.86 H new ATOM 0 HH TYR B 113 139.413 8.192 -4.651 1.00 40.02 H new ATOM 1956 N ARG B 114 134.217 3.616 1.055 1.00 24.99 N ATOM 1957 CA ARG B 114 133.341 2.642 1.707 1.00 27.64 C ATOM 1958 C ARG B 114 132.129 3.271 2.382 1.00 29.16 C ATOM 1959 O ARG B 114 132.218 4.347 2.981 1.00 26.11 O ATOM 1960 CB ARG B 114 134.122 1.797 2.713 1.00 29.12 C ATOM 1961 CG ARG B 114 135.294 1.046 2.104 1.00 34.06 C ATOM 1962 CD ARG B 114 135.961 0.145 3.126 1.00 38.39 C ATOM 1963 NE ARG B 114 135.165 -1.050 3.392 1.00 45.99 N ATOM 1964 CZ ARG B 114 135.302 -2.203 2.741 1.00 48.06 C ATOM 1965 NH1 ARG B 114 136.208 -2.328 1.778 1.00 51.42 N ATOM 1966 NH2 ARG B 114 134.529 -3.233 3.052 1.00 53.07 N ATOM 0 H ARG B 114 134.960 3.751 1.466 1.00 24.99 H new ATOM 0 HA ARG B 114 133.002 2.074 0.998 1.00 27.64 H new ATOM 0 HB2 ARG B 114 134.451 2.373 3.421 1.00 29.12 H new ATOM 0 HB3 ARG B 114 133.518 1.159 3.124 1.00 29.12 H new ATOM 0 HG2 ARG B 114 134.986 0.515 1.353 1.00 34.06 H new ATOM 0 HG3 ARG B 114 135.941 1.679 1.756 1.00 34.06 H new ATOM 0 HD2 ARG B 114 136.839 -0.115 2.805 1.00 38.39 H new ATOM 0 HD3 ARG B 114 136.095 0.636 3.952 1.00 38.39 H new ATOM 0 HE ARG B 114 134.568 -1.006 4.010 1.00 45.99 H new ATOM 0 HH11 ARG B 114 136.711 -1.662 1.572 1.00 51.42 H new ATOM 0 HH12 ARG B 114 136.292 -3.075 1.361 1.00 51.42 H new ATOM 0 HH21 ARG B 114 133.940 -3.156 3.674 1.00 53.07 H new ATOM 0 HH22 ARG B 114 134.616 -3.978 2.632 1.00 53.07 H new ATOM 1967 N ASP B 115 131.008 2.558 2.292 1.00 29.47 N ATOM 1968 CA ASP B 115 129.707 2.995 2.785 1.00 33.18 C ATOM 1969 C ASP B 115 129.601 2.858 4.312 1.00 31.81 C ATOM 1970 O ASP B 115 128.597 2.378 4.837 1.00 32.48 O ATOM 1971 CB ASP B 115 128.622 2.153 2.082 1.00 41.03 C ATOM 1972 CG ASP B 115 127.225 2.731 2.225 1.00 48.13 C ATOM 1973 OD1 ASP B 115 127.079 3.843 2.768 1.00 52.23 O ATOM 1974 OD2 ASP B 115 126.260 2.064 1.788 1.00 50.74 O ATOM 0 H ASP B 115 130.985 1.779 1.929 1.00 29.47 H new ATOM 0 HA ASP B 115 129.586 3.936 2.584 1.00 33.18 H new ATOM 0 HB2 ASP B 115 128.839 2.079 1.140 1.00 41.03 H new ATOM 0 HB3 ASP B 115 128.632 1.254 2.447 1.00 41.03 H new ATOM 1975 N GLU B 116 130.646 3.284 5.020 1.00 29.08 N ATOM 1976 CA GLU B 116 130.712 3.172 6.471 1.00 27.66 C ATOM 1977 C GLU B 116 131.018 4.550 7.057 1.00 24.98 C ATOM 1978 O GLU B 116 132.181 4.929 7.213 1.00 23.62 O ATOM 1979 CB GLU B 116 131.790 2.160 6.886 1.00 31.01 C ATOM 1980 CG GLU B 116 131.535 0.731 6.425 1.00 35.66 C ATOM 1981 CD GLU B 116 132.762 -0.149 6.579 1.00 39.21 C ATOM 1982 OE1 GLU B 116 133.392 -0.482 5.552 1.00 45.76 O ATOM 1983 OE2 GLU B 116 133.106 -0.494 7.729 1.00 41.53 O ATOM 0 H GLU B 116 131.340 3.648 4.667 1.00 29.08 H new ATOM 0 HA GLU B 116 129.861 2.855 6.811 1.00 27.66 H new ATOM 0 HB2 GLU B 116 132.644 2.453 6.532 1.00 31.01 H new ATOM 0 HB3 GLU B 116 131.866 2.166 7.853 1.00 31.01 H new ATOM 0 HG2 GLU B 116 130.802 0.354 6.937 1.00 35.66 H new ATOM 0 HG3 GLU B 116 131.258 0.737 5.495 1.00 35.66 H new ATOM 1984 N TYR B 117 129.966 5.305 7.356 1.00 23.82 N ATOM 1985 CA TYR B 117 130.114 6.660 7.884 1.00 24.50 C ATOM 1986 C TYR B 117 129.277 6.807 9.148 1.00 25.84 C ATOM 1987 O TYR B 117 128.205 6.207 9.264 1.00 27.08 O ATOM 1988 CB TYR B 117 129.689 7.698 6.836 1.00 21.79 C ATOM 1989 CG TYR B 117 130.721 8.054 5.778 1.00 21.89 C ATOM 1990 CD1 TYR B 117 131.142 7.119 4.825 1.00 19.92 C ATOM 1991 CD2 TYR B 117 131.257 9.343 5.710 1.00 19.40 C ATOM 1992 CE1 TYR B 117 132.073 7.458 3.851 1.00 20.62 C ATOM 1993 CE2 TYR B 117 132.183 9.691 4.735 1.00 19.01 C ATOM 1994 CZ TYR B 117 132.592 8.745 3.813 1.00 17.97 C ATOM 1995 OH TYR B 117 133.508 9.084 2.851 1.00 19.48 O ATOM 0 H TYR B 117 129.150 5.050 7.260 1.00 23.82 H new ATOM 0 HA TYR B 117 131.047 6.815 8.099 1.00 24.50 H new ATOM 0 HB2 TYR B 117 128.895 7.369 6.387 1.00 21.79 H new ATOM 0 HB3 TYR B 117 129.436 8.512 7.300 1.00 21.79 H new ATOM 0 HD1 TYR B 117 130.793 6.257 4.844 1.00 19.92 H new ATOM 0 HD2 TYR B 117 130.988 9.981 6.331 1.00 19.40 H new ATOM 0 HE1 TYR B 117 132.347 6.825 3.227 1.00 20.62 H new ATOM 0 HE2 TYR B 117 132.526 10.555 4.702 1.00 19.01 H new ATOM 0 HH TYR B 117 133.729 8.398 2.420 1.00 19.48 H new ATOM 1996 N ALA B 118 129.765 7.608 10.089 1.00 24.23 N ATOM 1997 CA ALA B 118 129.125 7.752 11.396 1.00 25.16 C ATOM 1998 C ALA B 118 127.834 8.572 11.352 1.00 26.18 C ATOM 1999 O ALA B 118 126.954 8.394 12.201 1.00 25.76 O ATOM 2000 CB ALA B 118 130.095 8.356 12.397 1.00 24.23 C ATOM 0 H ALA B 118 130.475 8.083 9.990 1.00 24.23 H new ATOM 0 HA ALA B 118 128.876 6.858 11.678 1.00 25.16 H new ATOM 0 HB1 ALA B 118 129.658 8.446 13.258 1.00 24.23 H new ATOM 0 HB2 ALA B 118 130.869 7.779 12.487 1.00 24.23 H new ATOM 0 HB3 ALA B 118 130.378 9.230 12.086 1.00 24.23 H new ATOM 2001 N TYR B 119 127.730 9.472 10.376 1.00 25.88 N ATOM 2002 CA TYR B 119 126.557 10.338 10.252 1.00 26.13 C ATOM 2003 C TYR B 119 126.032 10.371 8.824 1.00 26.97 C ATOM 2004 O TYR B 119 126.808 10.470 7.869 1.00 24.45 O ATOM 2005 CB TYR B 119 126.867 11.756 10.748 1.00 26.35 C ATOM 2006 CG TYR B 119 127.398 11.789 12.159 1.00 26.51 C ATOM 2007 CD1 TYR B 119 126.530 11.811 13.249 1.00 26.94 C ATOM 2008 CD2 TYR B 119 128.774 11.777 12.411 1.00 25.78 C ATOM 2009 CE1 TYR B 119 127.012 11.830 14.549 1.00 27.44 C ATOM 2010 CE2 TYR B 119 129.265 11.791 13.713 1.00 24.92 C ATOM 2011 CZ TYR B 119 128.379 11.822 14.775 1.00 26.60 C ATOM 2012 OH TYR B 119 128.850 11.837 16.074 1.00 27.19 O ATOM 0 H TYR B 119 128.330 9.598 9.773 1.00 25.88 H new ATOM 0 HA TYR B 119 125.860 9.963 10.813 1.00 26.13 H new ATOM 0 HB2 TYR B 119 127.516 12.165 10.155 1.00 26.35 H new ATOM 0 HB3 TYR B 119 126.061 12.293 10.700 1.00 26.35 H new ATOM 0 HD1 TYR B 119 125.612 11.813 13.102 1.00 26.94 H new ATOM 0 HD2 TYR B 119 129.370 11.759 11.697 1.00 25.78 H new ATOM 0 HE1 TYR B 119 126.420 11.848 15.266 1.00 27.44 H new ATOM 0 HE2 TYR B 119 130.182 11.780 13.868 1.00 24.92 H new ATOM 0 HH TYR B 119 129.594 12.226 16.098 1.00 27.19 H new ATOM 2013 N TRP B 120 124.708 10.296 8.698 1.00 29.82 N ATOM 2014 CA TRP B 120 124.036 10.269 7.400 1.00 30.54 C ATOM 2015 C TRP B 120 122.891 11.265 7.326 1.00 31.66 C ATOM 2016 O TRP B 120 122.138 11.423 8.284 1.00 33.54 O ATOM 2017 CB TRP B 120 123.487 8.869 7.116 1.00 29.20 C ATOM 2018 CG TRP B 120 124.542 7.889 6.753 1.00 28.57 C ATOM 2019 CD1 TRP B 120 125.166 7.008 7.588 1.00 27.97 C ATOM 2020 CD2 TRP B 120 125.113 7.692 5.457 1.00 29.17 C ATOM 2021 NE1 TRP B 120 126.090 6.268 6.890 1.00 26.59 N ATOM 2022 CE2 TRP B 120 126.080 6.670 5.579 1.00 28.03 C ATOM 2023 CE3 TRP B 120 124.899 8.277 4.200 1.00 28.80 C ATOM 2024 CZ2 TRP B 120 126.833 6.220 4.493 1.00 27.91 C ATOM 2025 CZ3 TRP B 120 125.650 7.830 3.118 1.00 29.79 C ATOM 2026 CH2 TRP B 120 126.607 6.810 3.274 1.00 29.77 C ATOM 0 H TRP B 120 124.171 10.259 9.369 1.00 29.82 H new ATOM 0 HA TRP B 120 124.699 10.514 6.736 1.00 30.54 H new ATOM 0 HB2 TRP B 120 123.012 8.549 7.899 1.00 29.20 H new ATOM 0 HB3 TRP B 120 122.841 8.922 6.395 1.00 29.20 H new ATOM 0 HD1 TRP B 120 124.991 6.921 8.497 1.00 27.97 H new ATOM 0 HE1 TRP B 120 126.592 5.653 7.221 1.00 26.59 H new ATOM 0 HE3 TRP B 120 124.267 8.951 4.092 1.00 28.80 H new ATOM 0 HZ2 TRP B 120 127.465 5.545 4.592 1.00 27.91 H new ATOM 0 HZ3 TRP B 120 125.518 8.210 2.280 1.00 29.79 H new ATOM 0 HH2 TRP B 120 127.097 6.529 2.535 1.00 29.77 H new ATOM 2027 N GLY B 121 122.761 11.919 6.173 1.00 32.99 N ATOM 2028 CA GLY B 121 121.618 12.788 5.899 1.00 35.97 C ATOM 2029 C GLY B 121 120.355 12.002 5.585 1.00 39.20 C ATOM 2030 O GLY B 121 120.384 10.771 5.487 1.00 38.60 O ATOM 0 H GLY B 121 123.330 11.872 5.530 1.00 32.99 H new ATOM 0 HA2 GLY B 121 121.458 13.359 6.666 1.00 35.97 H new ATOM 0 HA3 GLY B 121 121.829 13.369 5.151 1.00 35.97 H new ATOM 2031 N GLN B 122 119.247 12.723 5.418 1.00 43.78 N ATOM 2032 CA GLN B 122 117.937 12.111 5.161 1.00 49.74 C ATOM 2033 C GLN B 122 117.761 11.697 3.701 1.00 46.32 C ATOM 2034 O GLN B 122 116.970 10.801 3.394 1.00 48.75 O ATOM 2035 CB GLN B 122 116.804 13.060 5.577 1.00 53.94 C ATOM 2036 CG GLN B 122 116.673 13.280 7.081 1.00 63.81 C ATOM 2037 CD GLN B 122 116.137 12.067 7.828 1.00 67.45 C ATOM 2038 OE1 GLN B 122 115.371 11.268 7.285 1.00 73.70 O ATOM 2039 NE2 GLN B 122 116.534 11.930 9.088 1.00 69.22 N ATOM 0 H GLN B 122 119.231 13.582 5.450 1.00 43.78 H new ATOM 0 HA GLN B 122 117.896 11.305 5.699 1.00 49.74 H new ATOM 0 HB2 GLN B 122 116.945 13.919 5.148 1.00 53.94 H new ATOM 0 HB3 GLN B 122 115.965 12.709 5.240 1.00 53.94 H new ATOM 0 HG2 GLN B 122 117.541 13.516 7.443 1.00 63.81 H new ATOM 0 HG3 GLN B 122 116.085 14.035 7.240 1.00 63.81 H new ATOM 0 HE21 GLN B 122 117.069 12.507 9.435 1.00 69.22 H new ATOM 0 HE22 GLN B 122 116.256 11.265 9.557 1.00 69.22 H new ATOM 2040 N GLY B 123 118.500 12.355 2.811 1.00 42.13 N ATOM 2041 CA GLY B 123 118.446 12.072 1.380 1.00 42.07 C ATOM 2042 C GLY B 123 117.561 13.043 0.627 1.00 41.98 C ATOM 2043 O GLY B 123 116.502 13.434 1.119 1.00 42.49 O ATOM 0 H GLY B 123 119.050 12.982 3.022 1.00 42.13 H new ATOM 0 HA2 GLY B 123 119.343 12.106 1.013 1.00 42.07 H new ATOM 0 HA3 GLY B 123 118.118 11.169 1.244 1.00 42.07 H new ATOM 2044 N THR B 124 118.006 13.443 -0.562 1.00 42.30 N ATOM 2045 CA THR B 124 117.210 14.305 -1.437 1.00 43.66 C ATOM 2046 C THR B 124 117.074 13.697 -2.832 1.00 41.07 C ATOM 2047 O THR B 124 118.062 13.268 -3.435 1.00 39.89 O ATOM 2048 CB THR B 124 117.762 15.750 -1.512 1.00 43.39 C ATOM 2049 OG1 THR B 124 116.900 16.551 -2.332 1.00 45.66 O ATOM 2050 CG2 THR B 124 119.184 15.789 -2.078 1.00 43.58 C ATOM 0 H THR B 124 118.773 13.225 -0.884 1.00 42.30 H new ATOM 0 HA THR B 124 116.326 14.364 -1.041 1.00 43.66 H new ATOM 0 HB THR B 124 117.791 16.103 -0.609 1.00 43.39 H new ATOM 0 HG1 THR B 124 117.199 17.335 -2.371 1.00 45.66 H new ATOM 0 HG21 THR B 124 119.495 16.707 -2.110 1.00 43.58 H new ATOM 0 HG22 THR B 124 119.773 15.268 -1.510 1.00 43.58 H new ATOM 0 HG23 THR B 124 119.186 15.416 -2.974 1.00 43.58 H new ATOM 2051 N GLN B 125 115.842 13.658 -3.334 1.00 41.11 N ATOM 2052 CA GLN B 125 115.565 13.071 -4.641 1.00 40.87 C ATOM 2053 C GLN B 125 116.057 13.968 -5.777 1.00 39.65 C ATOM 2054 O GLN B 125 115.782 15.170 -5.797 1.00 40.68 O ATOM 2055 CB GLN B 125 114.067 12.765 -4.792 1.00 42.30 C ATOM 2056 CG GLN B 125 113.659 12.207 -6.154 1.00 40.66 C ATOM 2057 CD GLN B 125 114.322 10.882 -6.485 1.00 41.67 C ATOM 2058 OE1 GLN B 125 114.163 9.897 -5.765 1.00 44.98 O ATOM 2059 NE2 GLN B 125 115.058 10.850 -7.592 1.00 40.84 N ATOM 0 H GLN B 125 115.149 13.968 -2.930 1.00 41.11 H new ATOM 0 HA GLN B 125 116.055 12.236 -4.698 1.00 40.87 H new ATOM 0 HB2 GLN B 125 113.809 12.129 -4.106 1.00 42.30 H new ATOM 0 HB3 GLN B 125 113.566 13.579 -4.627 1.00 42.30 H new ATOM 0 HG2 GLN B 125 112.696 12.093 -6.174 1.00 40.66 H new ATOM 0 HG3 GLN B 125 113.883 12.854 -6.841 1.00 40.66 H new ATOM 0 HE21 GLN B 125 115.146 11.559 -8.070 1.00 40.84 H new ATOM 0 HE22 GLN B 125 115.446 10.120 -7.830 1.00 40.84 H new ATOM 2060 N VAL B 126 116.803 13.374 -6.706 1.00 37.54 N ATOM 2061 CA VAL B 126 117.225 14.060 -7.926 1.00 40.30 C ATOM 2062 C VAL B 126 116.734 13.258 -9.129 1.00 42.43 C ATOM 2063 O VAL B 126 117.028 12.063 -9.255 1.00 42.56 O ATOM 2064 CB VAL B 126 118.759 14.255 -7.993 1.00 39.91 C ATOM 2065 CG1 VAL B 126 119.179 14.829 -9.340 1.00 39.39 C ATOM 2066 CG2 VAL B 126 119.238 15.164 -6.868 1.00 37.62 C ATOM 0 H VAL B 126 117.079 12.562 -6.647 1.00 37.54 H new ATOM 0 HA VAL B 126 116.835 14.948 -7.929 1.00 40.30 H new ATOM 0 HB VAL B 126 119.171 13.383 -7.887 1.00 39.91 H new ATOM 0 HG11 VAL B 126 120.142 14.942 -9.358 1.00 39.39 H new ATOM 0 HG12 VAL B 126 118.912 14.222 -10.048 1.00 39.39 H new ATOM 0 HG13 VAL B 126 118.751 15.689 -9.473 1.00 39.39 H new ATOM 0 HG21 VAL B 126 120.200 15.273 -6.927 1.00 37.62 H new ATOM 0 HG22 VAL B 126 118.809 16.030 -6.947 1.00 37.62 H new ATOM 0 HG23 VAL B 126 119.010 14.768 -6.012 1.00 37.62 H new ATOM 2067 N THR B 127 115.969 13.916 -9.996 1.00 45.66 N ATOM 2068 CA THR B 127 115.464 13.286 -11.212 1.00 47.39 C ATOM 2069 C THR B 127 115.906 14.079 -12.440 1.00 48.59 C ATOM 2070 O THR B 127 115.692 15.290 -12.521 1.00 51.30 O ATOM 2071 CB THR B 127 113.928 13.131 -11.183 1.00 48.63 C ATOM 2072 OG1 THR B 127 113.523 12.579 -9.924 1.00 49.67 O ATOM 2073 CG2 THR B 127 113.451 12.210 -12.304 1.00 46.37 C ATOM 0 H THR B 127 115.729 14.736 -9.897 1.00 45.66 H new ATOM 0 HA THR B 127 115.841 12.394 -11.262 1.00 47.39 H new ATOM 0 HB THR B 127 113.533 14.008 -11.307 1.00 48.63 H new ATOM 0 HG1 THR B 127 112.687 12.497 -9.910 1.00 49.67 H new ATOM 0 HG21 THR B 127 112.485 12.127 -12.266 1.00 46.37 H new ATOM 0 HG22 THR B 127 113.710 12.582 -13.161 1.00 46.37 H new ATOM 0 HG23 THR B 127 113.854 11.334 -12.197 1.00 46.37 H new ATOM 2074 N VAL B 128 116.539 13.384 -13.382 1.00 50.03 N ATOM 2075 CA VAL B 128 117.001 13.996 -14.627 1.00 52.80 C ATOM 2076 C VAL B 128 116.214 13.415 -15.807 1.00 57.98 C ATOM 2077 O VAL B 128 116.106 12.194 -15.951 1.00 56.30 O ATOM 2078 CB VAL B 128 118.522 13.801 -14.840 1.00 50.26 C ATOM 2079 CG1 VAL B 128 119.021 14.654 -15.998 1.00 49.48 C ATOM 2080 CG2 VAL B 128 119.293 14.147 -13.573 1.00 49.82 C ATOM 0 H VAL B 128 116.713 12.544 -13.318 1.00 50.03 H new ATOM 0 HA VAL B 128 116.843 14.951 -14.569 1.00 52.80 H new ATOM 0 HB VAL B 128 118.674 12.867 -15.054 1.00 50.26 H new ATOM 0 HG11 VAL B 128 119.974 14.517 -16.114 1.00 49.48 H new ATOM 0 HG12 VAL B 128 118.557 14.400 -16.811 1.00 49.48 H new ATOM 0 HG13 VAL B 128 118.850 15.590 -15.808 1.00 49.48 H new ATOM 0 HG21 VAL B 128 120.242 14.019 -13.726 1.00 49.82 H new ATOM 0 HG22 VAL B 128 119.127 15.073 -13.335 1.00 49.82 H new ATOM 0 HG23 VAL B 128 119.002 13.570 -12.849 1.00 49.82 H new ATOM 2081 N SER B 129 115.660 14.299 -16.636 1.00 63.54 N ATOM 2082 CA SER B 129 114.851 13.896 -17.789 1.00 69.28 C ATOM 2083 C SER B 129 115.606 14.050 -19.112 1.00 71.99 C ATOM 2084 O SER B 129 116.424 14.960 -19.270 1.00 72.09 O ATOM 2085 CB SER B 129 113.539 14.688 -17.828 1.00 71.69 C ATOM 2086 OG SER B 129 113.778 16.084 -17.903 1.00 74.10 O ATOM 0 H SER B 129 115.742 15.150 -16.546 1.00 63.54 H new ATOM 0 HA SER B 129 114.651 12.953 -17.681 1.00 69.28 H new ATOM 0 HB2 SER B 129 113.012 14.407 -18.593 1.00 71.69 H new ATOM 0 HB3 SER B 129 113.016 14.490 -17.035 1.00 71.69 H new ATOM 0 HG SER B 129 113.045 16.493 -17.925 1.00 74.10 H new ATOM 2087 N SER B 130 115.316 13.156 -20.057 1.00 76.68 N ATOM 2088 CA SER B 130 115.962 13.162 -21.370 1.00 78.05 C ATOM 2089 C SER B 130 115.413 14.268 -22.265 1.00 77.17 C ATOM 2090 O SER B 130 116.173 15.030 -22.861 1.00 75.71 O ATOM 2091 CB SER B 130 115.799 11.803 -22.057 1.00 79.17 C ATOM 2092 OG SER B 130 116.390 10.768 -21.290 1.00 81.86 O ATOM 0 H SER B 130 114.738 12.528 -19.955 1.00 76.68 H new ATOM 0 HA SER B 130 116.906 13.335 -21.226 1.00 78.05 H new ATOM 0 HB2 SER B 130 114.856 11.615 -22.188 1.00 79.17 H new ATOM 0 HB3 SER B 130 116.207 11.831 -22.936 1.00 79.17 H new ATOM 0 HG SER B 130 116.287 10.033 -21.684 1.00 81.86 H new TER 2093 SER B 130 HETATM 2094 O HOH A 201 147.223 13.515 4.536 1.00 31.45 O HETATM 2095 O HOH A 202 143.887 -6.164 13.974 1.00 33.03 O HETATM 2096 O HOH A 203 143.395 21.059 20.339 1.00 25.34 O HETATM 2097 O HOH A 204 134.860 12.053 14.685 1.00 20.57 O HETATM 2098 O HOH A 205 149.963 -10.246 8.491 1.00 32.91 O HETATM 2099 O HOH A 206 146.051 -11.143 5.046 1.00 21.93 O HETATM 2100 O HOH A 207 141.963 -2.755 5.682 1.00 18.13 O HETATM 2101 O HOH A 208 144.706 19.068 17.512 1.00 16.36 O HETATM 2102 O HOH A 209 142.888 1.735 4.727 1.00 14.91 O HETATM 2103 O HOH A 210 145.164 14.019 13.834 1.00 20.12 O HETATM 2104 O HOH A 211 147.363 0.515 26.349 1.00 22.98 O HETATM 2105 O HOH A 212 147.986 8.888 8.497 1.00 15.18 O HETATM 2106 O HOH A 213 143.704 -0.936 20.901 1.00 17.43 O HETATM 2107 O HOH A 214 146.110 4.095 15.320 1.00 12.97 O HETATM 2108 O HOH A 215 153.636 10.865 3.151 1.00 37.37 O HETATM 2109 O HOH A 216 136.640 0.556 25.150 1.00 19.87 O HETATM 2110 O HOH A 217 143.583 -9.200 12.157 1.00 44.57 O HETATM 2111 O HOH A 218 142.012 10.550 7.151 1.00 25.62 O HETATM 2112 O HOH A 219 141.812 0.944 2.189 1.00 18.08 O HETATM 2113 O HOH A 220 149.347 -5.096 2.973 1.00 15.14 O HETATM 2114 O HOH A 221 147.190 9.967 6.035 1.00 19.63 O HETATM 2115 O HOH A 222 136.935 -2.108 8.795 1.00 44.46 O HETATM 2116 O HOH A 223 147.226 -6.083 1.262 1.00 17.28 O HETATM 2117 O HOH A 224 151.565 -2.469 19.222 1.00 27.70 O HETATM 2118 O HOH A 225 147.983 11.716 16.920 1.00 21.15 O HETATM 2119 O HOH A 226 140.562 12.950 7.878 1.00 20.53 O HETATM 2120 O HOH A 227 158.887 -0.212 15.065 1.00 38.49 O HETATM 2121 O HOH A 228 161.433 -3.360 9.217 1.00 33.36 O HETATM 2122 O HOH A 229 150.221 2.318 7.527 1.00 13.54 O HETATM 2123 O HOH A 230 155.289 -3.496 15.470 1.00 23.24 O HETATM 2124 O HOH A 231 159.906 -3.405 11.549 1.00 28.04 O HETATM 2125 O HOH A 232 150.297 10.885 5.485 1.00 26.42 O HETATM 2126 O HOH A 233 156.145 10.574 13.639 1.00 31.88 O HETATM 2127 O HOH A 234 150.477 -7.119 14.472 1.00 36.54 O HETATM 2128 O HOH A 235 156.109 -2.148 0.926 1.00 21.41 O HETATM 2129 O HOH A 236 151.954 9.145 7.223 1.00 24.61 O HETATM 2130 O HOH A 237 147.346 -7.047 13.857 1.00 30.79 O HETATM 2131 O HOH A 238 163.685 -5.011 9.995 1.00 35.40 O HETATM 2132 O HOH A 239 143.040 -9.272 9.269 1.00 30.08 O HETATM 2133 O HOH A 240 162.035 2.914 12.224 1.00 39.92 O HETATM 2134 O HOH A 241 161.413 -6.573 5.991 1.00 34.48 O HETATM 2135 O HOH A 242 152.395 -4.579 16.544 1.00 36.24 O HETATM 2136 O HOH A 243 169.442 -0.965 7.172 1.00 45.76 O HETATM 2137 O HOH A 244 150.937 12.302 19.264 1.00 48.97 O HETATM 2138 O HOH A 245 155.911 13.154 16.361 1.00 54.03 O HETATM 2139 O HOH A 246 132.544 -2.720 18.360 1.00 33.83 O HETATM 2140 O HOH A 247 154.723 0.333 18.751 1.00 38.88 O HETATM 2141 O HOH A 248 141.208 22.840 22.110 1.00 19.43 O HETATM 2142 O HOH A 249 155.416 -8.408 -0.052 1.00 24.23 O HETATM 2143 O HOH A 250 145.256 14.471 16.749 1.00 18.94 O HETATM 2144 O HOH A 251 150.592 -7.594 11.552 1.00 32.41 O HETATM 2145 O HOH A 252 146.249 20.789 19.223 1.00 22.01 O HETATM 2146 O HOH A 253 133.817 -6.182 25.108 1.00 37.27 O HETATM 2147 O HOH A 254 132.512 2.983 18.861 1.00 25.37 O HETATM 2148 O HOH A 255 159.342 3.603 13.683 1.00 32.53 O HETATM 2149 O HOH A 256 153.271 10.558 12.447 1.00 23.33 O HETATM 2150 O HOH A 257 151.512 -5.977 0.925 1.00 24.54 O HETATM 2151 O HOH A 258 147.936 14.622 6.938 1.00 27.50 O HETATM 2152 O HOH A 259 131.955 6.019 19.599 1.00 30.00 O HETATM 2153 O HOH A 260 150.159 0.196 21.967 1.00 42.07 O HETATM 2154 O HOH A 261 128.292 8.037 18.970 1.00 39.58 O HETATM 2155 O HOH A 262 153.785 13.311 19.235 1.00 44.70 O HETATM 2156 O HOH A 263 146.992 9.809 3.242 1.00 23.89 O HETATM 2157 O HOH A 264 137.368 -6.679 18.890 1.00 44.05 O HETATM 2158 O HOH A 265 143.940 10.548 4.805 1.00 27.02 O HETATM 2159 O HOH A 266 145.815 -1.109 23.306 1.00 28.86 O HETATM 2160 O HOH A 267 140.743 -7.331 11.052 1.00 30.67 O HETATM 2161 O HOH A 268 144.700 -3.921 15.055 1.00 33.53 O HETATM 2162 O HOH A 269 147.818 14.462 17.850 1.00 35.66 O HETATM 2163 O HOH A 270 149.557 11.361 8.597 1.00 30.36 O HETATM 2164 O HOH A 271 147.500 -6.420 17.395 1.00 42.35 O HETATM 2165 O HOH A 272 132.781 -5.045 22.012 1.00 38.33 O HETATM 2166 O HOH A 273 131.248 19.691 18.354 1.00 19.64 O HETATM 2167 O HOH A 274 138.775 -7.163 3.557 1.00 34.40 O HETATM 2168 O HOH A 275 160.447 -6.656 -3.444 1.00 29.85 O HETATM 2169 O HOH A 276 148.900 -1.239 19.719 1.00 21.86 O HETATM 2170 O HOH A 277 132.476 -3.563 24.654 1.00 32.62 O HETATM 2171 O HOH A 278 136.607 -3.256 12.413 1.00 37.28 O HETATM 2172 O HOH A 279 150.283 26.485 32.290 1.00 27.65 O HETATM 2173 O HOH A 280 150.231 23.249 35.679 1.00 22.74 O HETATM 2174 O HOH A 281 150.961 23.900 38.340 1.00 23.82 O HETATM 2175 O HOH A 282 149.299 20.416 35.412 1.00 24.34 O HETATM 2176 O HOH A 283 146.701 21.450 42.108 1.00 24.95 O HETATM 2177 O HOH A 284 145.752 18.093 40.041 1.00 31.31 O HETATM 2178 O HOH A 285 142.962 18.330 40.107 1.00 34.75 O HETATM 2179 O HOH A 286 142.569 34.445 31.847 1.00 23.64 O HETATM 2180 O HOH A 287 144.277 35.014 28.507 1.00 29.74 O HETATM 2181 O HOH A 288 145.935 28.981 27.768 1.00 18.25 O HETATM 2182 O HOH A 289 151.769 12.588 25.715 1.00 25.93 O HETATM 2183 O HOH A 290 150.578 12.487 22.193 1.00 17.02 O HETATM 2184 O HOH A 291 153.732 4.372 21.529 1.00 29.30 O HETATM 2185 O HOH A 292 147.677 3.301 22.365 1.00 16.47 O HETATM 2186 O HOH A 293 141.380 1.373 27.458 1.00 18.05 O HETATM 2187 O HOH A 294 144.100 -2.584 27.376 1.00 24.57 O HETATM 2188 O HOH A 295 143.900 -1.077 29.385 1.00 19.26 O HETATM 2189 O HOH A 296 128.734 5.263 24.191 1.00 29.48 O HETATM 2190 O HOH A 297 147.425 31.635 35.987 1.00 21.71 O HETATM 2191 O HOH A 298 148.242 29.895 33.841 1.00 28.91 O HETATM 2192 O HOH A 299 149.734 33.433 35.796 1.00 37.12 O HETATM 2193 O HOH A 300 139.521 7.000 23.297 1.00 14.14 O HETATM 2194 O HOH A 301 145.770 6.659 28.109 1.00 16.15 O HETATM 2195 O HOH A 302 141.479 17.203 26.197 1.00 13.11 O HETATM 2196 O HOH A 303 134.436 18.843 32.738 1.00 25.42 O HETATM 2197 O HOH A 304 135.588 17.246 34.747 1.00 21.12 O HETATM 2198 O HOH A 305 135.481 21.005 27.806 1.00 16.90 O HETATM 2199 O HOH A 306 137.166 23.092 26.932 1.00 15.98 O HETATM 2200 O HOH A 307 133.010 26.816 36.490 1.00 30.90 O HETATM 2201 O HOH A 308 149.347 18.471 39.142 1.00 39.99 O HETATM 2202 O HOH A 309 127.118 12.432 21.494 1.00 23.55 O HETATM 2203 O HOH A 310 130.481 14.933 29.877 1.00 27.58 O HETATM 2204 O HOH A 311 127.930 17.940 24.510 1.00 29.80 O HETATM 2205 O HOH A 312 151.283 6.447 -1.964 1.00 26.76 O HETATM 2206 O HOH A 313 154.109 10.509 22.065 1.00 34.96 O HETATM 2207 O HOH A 314 157.084 -5.908 2.283 1.00 27.70 O HETATM 2208 O HOH A 315 151.605 14.991 22.953 1.00 31.05 O HETATM 2209 O HOH A 316 164.740 -1.183 1.619 1.00 36.43 O HETATM 2210 O HOH A 317 133.598 21.056 18.882 1.00 25.89 O HETATM 2211 O HOH A 318 141.225 -4.836 20.245 1.00 27.90 O HETATM 2212 O HOH A 319 144.044 -3.493 20.081 1.00 27.00 O HETATM 2213 O HOH A 320 139.467 -4.363 16.624 1.00 30.70 O HETATM 2214 O HOH A 321 147.663 -3.788 19.392 1.00 37.34 O HETATM 2215 O HOH A 322 139.919 -7.443 20.334 1.00 41.18 O HETATM 2216 O HOH A 323 138.168 -8.575 22.409 1.00 45.51 O HETATM 2217 O HOH A 324 133.578 -0.991 12.299 1.00 44.81 O HETATM 2218 O HOH A 325 162.938 -5.430 -3.659 1.00 38.44 O HETATM 2219 O HOH A 326 143.186 -4.188 17.500 1.00 39.23 O HETATM 2220 O HOH A 327 163.906 -8.348 -1.008 1.00 36.73 O HETATM 2221 O HOH A 328 161.074 -8.644 -1.444 1.00 36.54 O HETATM 2222 O HOH A 329 131.780 21.275 25.028 1.00 20.28 O HETATM 2223 O HOH A 330 135.430 20.664 30.727 1.00 20.27 O HETATM 2224 O HOH A 331 132.444 26.856 27.506 1.00 28.87 O HETATM 2225 O HOH A 332 132.989 22.250 27.391 1.00 20.89 O HETATM 2226 O HOH A 333 133.524 30.169 34.952 1.00 20.93 O HETATM 2227 O HOH A 334 134.719 32.636 34.072 1.00 15.85 O HETATM 2228 O HOH A 335 134.553 30.878 37.731 1.00 24.47 O HETATM 2229 O HOH A 336 136.405 26.894 39.466 1.00 23.77 O HETATM 2230 O HOH A 337 136.063 23.382 39.322 1.00 23.04 O HETATM 2231 O HOH A 338 139.130 20.614 41.148 1.00 42.21 O HETATM 2232 O HOH A 339 142.762 28.518 45.257 1.00 27.12 O HETATM 2233 O HOH A 340 145.569 27.942 45.500 1.00 24.70 O HETATM 2234 O HOH A 341 141.628 5.560 -0.792 1.00 25.15 O HETATM 2235 O HOH A 342 141.829 2.728 -1.173 1.00 31.17 O HETATM 2236 O HOH A 343 156.546 10.266 2.584 1.00 48.64 O HETATM 2237 O HOH A 344 166.904 0.458 2.420 1.00 45.20 O HETATM 2238 O HOH A 345 139.222 -6.431 24.510 1.00 46.15 O HETATM 2239 O HOH A 346 141.765 -4.044 23.055 1.00 37.49 O HETATM 2240 O HOH A 347 143.402 11.899 38.055 1.00 25.95 O HETATM 2241 O HOH A 348 141.687 15.393 39.218 1.00 33.97 O HETATM 2242 O HOH A 349 138.252 13.949 40.147 1.00 37.39 O HETATM 2243 O HOH A 350 138.033 11.196 38.674 1.00 28.25 O HETATM 2244 O HOH A 351 131.833 11.460 34.448 1.00 46.18 O HETATM 2245 O HOH A 352 133.085 8.528 32.210 1.00 37.01 O HETATM 2246 O HOH A 353 137.209 8.210 32.660 1.00 24.83 O HETATM 2247 O HOH A 354 146.719 14.781 38.017 1.00 43.83 O HETATM 2248 O HOH A 355 150.707 19.328 27.108 1.00 39.24 O HETATM 2249 O HOH A 356 150.528 13.705 30.245 1.00 21.98 O HETATM 2250 O HOH A 357 150.265 11.042 29.159 1.00 33.18 O HETATM 2251 O HOH A 358 150.181 11.161 32.026 1.00 45.28 O HETATM 2252 O HOH A 359 150.598 3.415 22.873 1.00 22.22 O HETATM 2253 O HOH A 360 156.311 -6.281 14.442 1.00 35.42 O HETATM 2254 O HOH A 361 154.917 -7.905 12.844 1.00 38.08 O HETATM 2255 O HOH A 362 153.601 -7.308 10.273 1.00 46.76 O HETATM 2256 O HOH A 363 130.427 11.354 27.903 1.00 32.52 O HETATM 2257 O HOH A 364 126.829 17.243 27.601 1.00 42.63 O HETATM 2258 O HOH A 365 129.128 20.662 25.200 1.00 31.56 O HETATM 2259 O HOH A 366 130.889 22.265 29.391 1.00 33.53 O HETATM 2260 O HOH A 367 152.624 22.676 34.472 1.00 40.37 O HETATM 2261 O HOH A 368 153.087 25.973 33.152 1.00 40.74 O HETATM 2262 O HOH A 369 148.492 28.537 31.589 1.00 31.86 O HETATM 2263 O HOH A 370 134.122 24.484 26.105 1.00 27.64 O HETATM 2264 O HOH B 201 133.483 7.940 12.749 1.00 22.37 O HETATM 2265 O HOH B 202 136.504 8.927 11.462 1.00 16.78 O HETATM 2266 O HOH B 203 136.227 11.580 10.648 1.00 17.27 O HETATM 2267 O HOH B 204 129.352 -1.810 5.450 1.00 58.24 O HETATM 2268 O HOH B 205 135.239 17.701 13.720 1.00 16.57 O HETATM 2269 O HOH B 206 121.041 13.207 10.028 1.00 37.42 O HETATM 2270 O HOH B 207 119.756 9.710 9.155 1.00 48.75 O HETATM 2271 O HOH B 208 144.436 15.437 2.852 1.00 35.06 O HETATM 2272 O HOH B 209 137.125 24.855 2.354 1.00 23.41 O HETATM 2273 O HOH B 210 125.976 5.173 10.849 1.00 35.91 O HETATM 2274 O HOH B 211 125.261 27.467 2.455 1.00 30.85 O HETATM 2275 O HOH B 212 132.926 21.087 8.762 1.00 26.41 O HETATM 2276 O HOH B 213 126.892 12.331 17.957 1.00 25.39 O HETATM 2277 O HOH B 214 129.220 -0.456 12.851 1.00 44.40 O HETATM 2278 O HOH B 215 130.614 9.708 16.049 1.00 32.06 O HETATM 2279 O HOH B 216 120.524 22.221 3.472 1.00 43.17 O HETATM 2280 O HOH B 217 134.559 4.402 5.678 1.00 21.35 O HETATM 2281 O HOH B 218 124.446 8.636 13.515 1.00 45.50 O HETATM 2282 O HOH B 219 121.144 20.472 10.136 1.00 37.69 O HETATM 2283 O HOH B 220 135.233 24.668 12.843 1.00 40.39 O HETATM 2284 O HOH B 221 124.436 26.171 5.016 1.00 35.98 O HETATM 2285 O HOH B 222 127.363 8.186 15.401 1.00 41.88 O HETATM 2286 O HOH B 223 127.353 3.695 7.449 1.00 28.89 O HETATM 2287 O HOH B 224 129.264 -0.741 9.732 1.00 44.18 O HETATM 2288 O HOH B 225 140.869 15.088 5.986 1.00 21.35 O HETATM 2289 O HOH B 226 131.900 22.030 6.200 1.00 36.79 O HETATM 2290 O HOH B 227 132.804 22.964 10.851 1.00 31.78 O HETATM 2291 O HOH B 228 124.989 24.290 9.141 1.00 35.51 O HETATM 2292 O HOH B 229 130.465 2.786 -4.446 1.00 36.81 O HETATM 2293 O HOH B 230 136.084 25.876 5.018 1.00 26.13 O HETATM 2294 O HOH B 231 131.690 31.614 5.327 1.00 32.34 O HETATM 2295 O HOH B 232 140.555 20.857 9.132 1.00 25.67 O HETATM 2296 O HOH B 233 139.331 21.683 13.006 1.00 30.56 O HETATM 2297 O HOH B 234 135.930 15.035 14.654 1.00 22.83 O HETATM 2298 O HOH B 235 144.808 25.310 4.291 1.00 19.64 O HETATM 2299 O HOH B 236 127.035 0.047 5.158 1.00 44.06 O HETATM 2300 O HOH B 237 136.327 -0.993 6.245 1.00 30.12 O HETATM 2301 O HOH B 238 123.273 9.825 11.153 1.00 36.44 O HETATM 2302 O HOH B 239 131.906 7.517 17.112 1.00 41.74 O HETATM 2303 O HOH B 240 135.864 -0.292 10.576 1.00 34.58 O HETATM 2304 O HOH B 241 133.580 -3.501 5.703 1.00 52.23 O HETATM 2305 O HOH B 242 147.750 18.384 0.795 1.00 26.71 O HETATM 2306 O HOH B 243 136.147 23.527 -0.180 1.00 27.45 O HETATM 2307 O HOH B 244 142.714 16.205 -4.343 1.00 30.23 O HETATM 2308 O HOH B 245 140.722 15.544 -6.780 1.00 27.32 O HETATM 2309 O HOH B 246 137.410 18.816 -6.981 1.00 32.44 O HETATM 2310 O HOH B 247 139.370 11.312 -7.622 1.00 30.93 O HETATM 2311 O HOH B 248 144.543 18.895 -3.590 1.00 32.19 O HETATM 2312 O HOH B 249 122.095 24.335 -2.773 1.00 36.14 O HETATM 2313 O HOH B 250 130.956 22.481 -4.904 1.00 28.54 O HETATM 2314 O HOH B 251 131.567 25.983 -2.742 1.00 37.55 O HETATM 2315 O HOH B 252 125.797 22.015 -16.735 1.00 44.65 O HETATM 2316 O HOH B 253 126.578 8.855 -13.473 1.00 37.51 O HETATM 2317 O HOH B 254 120.898 19.524 15.100 1.00 46.50 O HETATM 2318 O HOH B 255 137.907 -0.625 -0.408 1.00 42.47 O HETATM 2319 O HOH B 256 140.776 19.253 -4.601 1.00 35.38 O HETATM 2320 O HOH B 257 136.675 21.898 -4.218 1.00 29.33 O HETATM 2321 O HOH B 258 137.592 9.710 -10.602 1.00 44.29 O HETATM 2322 O HOH B 259 145.165 11.694 -2.625 1.00 30.59 O HETATM 2323 O HOH B 260 135.402 16.126 -10.646 1.00 35.48 O HETATM 2324 O HOH B 261 123.994 12.693 17.686 1.00 41.19 O HETATM 2325 O HOH B 262 128.449 22.664 16.874 1.00 38.28 O HETATM 2326 O HOH B 263 124.542 -4.231 -5.364 1.00 49.75 O HETATM 2327 O HOH B 264 129.658 29.204 1.478 1.00 37.06 O HETATM 2328 O HOH B 265 135.817 20.343 14.865 1.00 29.80 O HETATM 2329 O HOH B 266 115.921 4.029 1.090 1.00 44.30 O HETATM 2330 O HOH B 267 123.859 0.315 3.650 1.00 55.07 O HETATM 2331 O HOH B 268 123.317 12.570 12.216 1.00 48.72 O HETATM 2332 O HOH B 269 135.275 28.625 6.214 1.00 49.13 O HETATM 2333 O HOH B 270 124.474 5.767 -12.561 1.00 48.81 O HETATM 2334 O HOH B 271 124.682 10.457 -21.233 1.00 50.92 O HETATM 2335 O HOH B 272 131.699 13.114 -18.370 1.00 42.73 O HETATM 2336 O HOH B 273 129.710 10.014 -17.168 1.00 43.78 O HETATM 2337 O HOH B 274 130.973 20.717 -10.823 1.00 42.19 O HETATM 2338 O HOH B 275 134.411 5.008 -9.463 1.00 36.87 O HETATM 2339 O HOH B 276 139.530 5.546 -10.139 1.00 44.03 O HETATM 2340 O HOH B 277 111.705 20.037 -8.940 1.00 53.08 O CONECT 1296 1878 CONECT 1878 1296 END