USER MOD reduce.3.24.130724 H: found=0, std=0, add=1253, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 21-NOV-96 1RA8 TITLE DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE AND 2- TITLE 2 MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: DHFR; COMPND 5 EC: 1.5.1.3; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_TAXID: 562; SOURCE 4 STRAIN: RT500; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PRWA-1 KEYWDS OXIDOREDUCTASE, NADP, TRIMETHOPRIM RESISTANCE, METHOTREXATE KEYWDS 2 RESISTANCE, ONE-CARBON METABOLISM EXPDTA X-RAY DIFFRACTION AUTHOR M.R.SAWAYA,J.KRAUT REVDAT 2 24-FEB-09 1RA8 1 VERSN REVDAT 1 12-MAR-97 1RA8 0 JRNL AUTH M.R.SAWAYA,J.KRAUT JRNL TITL LOOP AND SUBDOMAIN MOVEMENTS IN THE MECHANISM OF JRNL TITL 2 ESCHERICHIA COLI DIHYDROFOLATE REDUCTASE: JRNL TITL 3 CRYSTALLOGRAPHIC EVIDENCE. JRNL REF BIOCHEMISTRY V. 36 586 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9012674 JRNL DOI 10.1021/BI962337C REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH V.M.REYES,M.R.SAWAYA,K.A.BROWN,J.KRAUT REMARK 1 TITL ISOMORPHOUS CRYSTAL STRUCTURES OF ESCHERICHIA COLI REMARK 1 TITL 2 DIHYDROFOLATE REDUCTASE COMPLEXED WITH FOLATE, REMARK 1 TITL 3 5-DEAZAFOLATE, AND 5,10-DIDEAZATETRAHYDROFOLATE: REMARK 1 TITL 4 MECHANISTIC IMPLICATIONS REMARK 1 REF BIOCHEMISTRY V. 34 2710 1995 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH C.BYSTROFF,J.KRAUT REMARK 1 TITL CRYSTAL STRUCTURE OF UNLIGANDED ESCHERICHIA COLI REMARK 1 TITL 2 DIHYDROFOLATE REDUCTASE. LIGAND-INDUCED REMARK 1 TITL 3 CONFORMATIONAL CHANGES AND COOPERATIVITY IN BINDING REMARK 1 REF BIOCHEMISTRY V. 30 2227 1991 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH C.BYSTROFF,S.J.OATLEY,J.KRAUT REMARK 1 TITL CRYSTAL STRUCTURES OF ESCHERICHIA COLI REMARK 1 TITL 2 DIHYDROFOLATE REDUCTASE: THE NADP+ HOLOENZYME AND REMARK 1 TITL 3 THE FOLATE.NADP+ TERNARY COMPLEX. SUBSTRATE REMARK 1 TITL 4 BINDING AND A MODEL FOR THE TRANSITION STATE REMARK 1 REF BIOCHEMISTRY V. 29 3263 1990 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. 1.80 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : TNT V. 5-D REMARK 3 AUTHORS : TRONRUD,TEN EYCK,MATTHEWS REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 72.0 REMARK 3 NUMBER OF REFLECTIONS : 10657 REMARK 3 REMARK 3 USING DATA ABOVE SIGMA CUTOFF. REMARK 3 CROSS-VALIDATION METHOD : NULL REMARK 3 FREE R VALUE TEST SET SELECTION : NULL REMARK 3 R VALUE (WORKING + TEST SET) : NULL REMARK 3 R VALUE (WORKING SET) : 0.151 REMARK 3 FREE R VALUE : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%) : NULL REMARK 3 FREE R VALUE TEST SET COUNT : NULL REMARK 3 REMARK 3 USING ALL DATA, NO SIGMA CUTOFF. REMARK 3 R VALUE (WORKING + TEST SET, NO CUTOFF) : NULL REMARK 3 R VALUE (WORKING SET, NO CUTOFF) : 0.1510 REMARK 3 FREE R VALUE (NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET SIZE (%, NO CUTOFF) : NULL REMARK 3 FREE R VALUE TEST SET COUNT (NO CUTOFF) : NULL REMARK 3 TOTAL NUMBER OF REFLECTIONS (NO CUTOFF) : NULL REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 1268 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 63 REMARK 3 SOLVENT ATOMS : 144 REMARK 3 REMARK 3 WILSON B VALUE (FROM FCALC, A**2) : NULL REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. RMS WEIGHT COUNT REMARK 3 BOND LENGTHS (A) : 0.022 ; 0.020 ; 1369 REMARK 3 BOND ANGLES (DEGREES) : 3.100 ; 3.000 ; 1860 REMARK 3 TORSION ANGLES (DEGREES) : 24.000; NULL ; 767 REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.021 ; 0.020 ; 39 REMARK 3 GENERAL PLANES (A) : 0.008 ; 0.020 ; 191 REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 6.100 ; 6.000 ; 1369 REMARK 3 NON-BONDED CONTACTS (A) : 0.026 ; 0.020 ; 33 REMARK 3 REMARK 3 INCORRECT CHIRAL-CENTERS (COUNT) : NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : MOEWS AND KRETSINGER REMARK 3 KSOL : 0.78 REMARK 3 BSOL : 249.90 REMARK 3 REMARK 3 RESTRAINT LIBRARIES. REMARK 3 STEREOCHEMISTRY : TNT PROTGEO REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RA8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 27-JAN-93 REMARK 200 TEMPERATURE (KELVIN) : 298 REMARK 200 PH : 7.0 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RUH2R REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : GRAPHITE(002) REMARK 200 OPTICS : NULL REMARK 200 REMARK 200 DETECTOR TYPE : AREA DETECTOR REMARK 200 DETECTOR MANUFACTURER : XUONG-HAMLIN MULTIWIRE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : UCSD REMARK 200 DATA SCALING SOFTWARE : UCSD REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 10657 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.800 REMARK 200 RESOLUTION RANGE LOW (A) : 100.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 0.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 72.0 REMARK 200 DATA REDUNDANCY : 3.100 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03800 REMARK 200 FOR THE DATA SET : 14.0000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.84 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.03 REMARK 200 COMPLETENESS FOR SHELL (%) : 58.0 REMARK 200 DATA REDUNDANCY IN SHELL : 2.30 REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.14900 REMARK 200 FOR SHELL : 2.700 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: NULL REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: DIFFERENCE FOURIER REMARK 200 SOFTWARE USED: TNT REMARK 200 STARTING MODEL: PDB ENTRY 1RA2 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 46.80 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.31 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PH 7.0 REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,Y,-Z REMARK 290 3555 X+1/2,Y+1/2,Z REMARK 290 4555 -X+1/2,Y+1/2,-Z REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 3 1.000000 0.000000 0.000000 37.13500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.93000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 37.13500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 29.93000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 480 REMARK 480 ZERO OCCUPANCY ATOM REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME; REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 480 M RES C SSEQI ATOMS REMARK 480 GLU A 17 CB CG CD OE1 OE2 REMARK 480 GLU A 118 CG CD OE1 OE2 REMARK 480 GLU A 134 CD OE1 OE2 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 ARG A 33 NE ARG A 33 CZ 0.080 REMARK 500 GLU A 48 CD GLU A 48 OE1 0.068 REMARK 500 GLU A 80 CD GLU A 80 OE1 0.112 REMARK 500 GLU A 90 CD GLU A 90 OE1 0.088 REMARK 500 GLU A 101 CD GLU A 101 OE1 0.083 REMARK 500 GLU A 120 CD GLU A 120 OE2 0.070 REMARK 500 GLU A 129 CD GLU A 129 OE1 0.074 REMARK 500 GLU A 139 CD GLU A 139 OE1 0.075 REMARK 500 GLU A 154 CD GLU A 154 OE1 0.095 REMARK 500 GLU A 157 CD GLU A 157 OE2 0.067 REMARK 500 ARG A 159 NE ARG A 159 CZ 0.107 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 MET A 1 CA - CB - CG ANGL. DEV. = -11.8 DEGREES REMARK 500 ASP A 11 CB - CG - OD2 ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 12 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES REMARK 500 ARG A 12 NE - CZ - NH2 ANGL. DEV. = -4.6 DEGREES REMARK 500 ASP A 27 CB - CG - OD1 ANGL. DEV. = 5.6 DEGREES REMARK 500 ASP A 27 CB - CG - OD2 ANGL. DEV. = -7.1 DEGREES REMARK 500 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ASP A 37 CB - CG - OD1 ANGL. DEV. = 9.1 DEGREES REMARK 500 ASP A 37 CB - CG - OD2 ANGL. DEV. = -10.4 DEGREES REMARK 500 ARG A 44 NE - CZ - NH2 ANGL. DEV. = -3.6 DEGREES REMARK 500 ARG A 71 NE - CZ - NH2 ANGL. DEV. = -4.6 DEGREES REMARK 500 SER A 77 CB - CA - C ANGL. DEV. = -12.1 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = -7.9 DEGREES REMARK 500 ASP A 87 CB - CG - OD2 ANGL. DEV. = 7.1 DEGREES REMARK 500 LYS A 109 N - CA - CB ANGL. DEV. = -12.6 DEGREES REMARK 500 LEU A 112 CB - CG - CD1 ANGL. DEV. = -11.2 DEGREES REMARK 500 ASP A 122 CB - CG - OD2 ANGL. DEV. = -5.4 DEGREES REMARK 500 ASP A 132 CB - CG - OD1 ANGL. DEV. = 7.2 DEGREES REMARK 500 ASP A 132 CB - CG - OD2 ANGL. DEV. = -7.8 DEGREES REMARK 500 ASP A 144 CB - CG - OD1 ANGL. DEV. = 7.3 DEGREES REMARK 500 ASP A 144 CB - CG - OD2 ANGL. DEV. = -8.3 DEGREES REMARK 500 ARG A 159 NE - CZ - NH1 ANGL. DEV. = 4.8 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 GLN A 102 0.07 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FOL A 161 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ATR A 164 DBREF 1RA8 A 1 159 UNP P0ABQ4 DYR_ECOLI 1 159 SEQADV 1RA8 ASP A 37 UNP P0ABQ4 ASN 37 CONFLICT SEQRES 1 A 159 MET ILE SER LEU ILE ALA ALA LEU ALA VAL ASP ARG VAL SEQRES 2 A 159 ILE GLY MET GLU ASN ALA MET PRO TRP ASN LEU PRO ALA SEQRES 3 A 159 ASP LEU ALA TRP PHE LYS ARG ASN THR LEU ASP LYS PRO SEQRES 4 A 159 VAL ILE MET GLY ARG HIS THR TRP GLU SER ILE GLY ARG SEQRES 5 A 159 PRO LEU PRO GLY ARG LYS ASN ILE ILE LEU SER SER GLN SEQRES 6 A 159 PRO GLY THR ASP ASP ARG VAL THR TRP VAL LYS SER VAL SEQRES 7 A 159 ASP GLU ALA ILE ALA ALA CYS GLY ASP VAL PRO GLU ILE SEQRES 8 A 159 MET VAL ILE GLY GLY GLY ARG VAL TYR GLU GLN PHE LEU SEQRES 9 A 159 PRO LYS ALA GLN LYS LEU TYR LEU THR HIS ILE ASP ALA SEQRES 10 A 159 GLU VAL GLU GLY ASP THR HIS PHE PRO ASP TYR GLU PRO SEQRES 11 A 159 ASP ASP TRP GLU SER VAL PHE SER GLU PHE HIS ASP ALA SEQRES 12 A 159 ASP ALA GLN ASN SER HIS SER TYR CYS PHE GLU ILE LEU SEQRES 13 A 159 GLU ARG ARG HET FOL A 161 32 HET ATR A 164 31 HETNAM FOL FOLIC ACID HETNAM ATR 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE FORMUL 2 FOL C19 H19 N7 O6 FORMUL 3 ATR C10 H16 N5 O13 P3 FORMUL 4 HOH *144(H2 O) HELIX 1 2 PRO A 25 THR A 35 1 11 HELIX 2 3 ARG A 44 ILE A 50 1 7 HELIX 3 4 VAL A 78 CYS A 85 1 8 HELIX 4 5 GLY A 97 LYS A 106 1 10 SHEET 1 A 8 TRP A 133 SER A 135 0 SHEET 2 A 8 TYR A 151 ARG A 158 -1 N GLU A 157 O GLU A 134 SHEET 3 A 8 ALA A 107 ILE A 115 -1 N HIS A 114 O CYS A 152 SHEET 4 A 8 ILE A 2 ILE A 5 1 N ILE A 2 O GLN A 108 SHEET 5 A 8 ILE A 91 GLY A 95 1 N ILE A 91 O SER A 3 SHEET 6 A 8 PRO A 39 GLY A 43 1 N PRO A 39 O MET A 92 SHEET 7 A 8 LYS A 58 LEU A 62 1 N LYS A 58 O VAL A 40 SHEET 8 A 8 THR A 73 VAL A 75 1 N THR A 73 O ILE A 61 CISPEP 1 GLY A 95 GLY A 96 0 2.58 SITE *** AC1 13 ILE A 5 ALA A 6 ALA A 7 ASP A 27 SITE *** AC1 13 LEU A 28 PHE A 31 LYS A 32 ARG A 57 SITE *** AC1 13 ILE A 94 TYR A 100 THR A 113 HOH A 601 SITE *** AC1 13 HOH A 625 SITE *** AC2 21 GLY A 43 ARG A 44 HIS A 45 THR A 46 SITE *** AC2 21 LEU A 62 SER A 63 SER A 64 LYS A 76 SITE *** AC2 21 GLY A 96 GLY A 97 ARG A 98 VAL A 99 SITE *** AC2 21 GLN A 102 HOH A 307 HOH A 353 HOH A 461 SITE *** AC2 21 HOH A 605 HOH A 651 HOH A 711 HOH A 712 SITE *** AC2 21 HOH A 718 CRYST1 74.270 59.860 38.920 90.00 107.38 90.00 C 1 2 1 4 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.013464 0.000000 0.004214 0.00000 SCALE2 0.000000 0.016706 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026923 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 NoAdj-H: A 161 FOLHOE2 : A 161 FOL OE2 : A 161 FOL CD :(short bond) USER MOD NoAdj-H: A 161 FOL HO2 : A 161 FOL O2 : A 161 FOL CT :(short bond) USER MOD NoAdj-H: A 161 FOL HN : A 161 FOL N : A 161 FOL C :(H bumps) USER MOD Set 1.1: A 148 SER OG : rot 90:sc= 1.41 USER MOD Set 1.2: A 149 HIS : no HD1:sc= 0.592 K(o=2,f=-2.2) USER MOD Set 2.1: A 109 LYS NZ :NH3+ -153:sc= 0.326 (180deg=0) USER MOD Set 2.2: A 111 TYR OH : rot -12:sc= 2.1 USER MOD Set 3.1: A 64 SER OG : rot -82:sc= 1.14 USER MOD Set 3.2: A 65 GLN : amide:sc= 0 K(o=1.1,f=1.7) USER MOD Set 4.1: A 42 MET CE :methyl -179:sc= 0 (180deg=-0.00236) USER MOD Set 4.2: A 59 ASN : amide:sc= -0.435! C(o=-0.44!,f=-6.6!) USER MOD Single : A 1 MET CE :methyl -171:sc= -5.89! (180deg=-6.84!) USER MOD Single : A 1 MET N :NH3+ -116:sc= -0.0982 (180deg=-0.306) USER MOD Single : A 3 SER OG : rot 145:sc= 1.36 USER MOD Single : A 16 MET CE :methyl -154:sc= -4.72! (180deg=-7.43!) USER MOD Single : A 18 ASN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 20 MET CE :methyl -163:sc= -1.24 (180deg=-2.26) USER MOD Single : A 23 ASN : amide:sc= -0.65 X(o=-0.65,f=-0.18) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0.47 X(o=0.47,f=0.48) USER MOD Single : A 35 THR OG1 : rot -83:sc= 0.991 USER MOD Single : A 38 LYS NZ :NH3+ -149:sc= 1.11 (180deg=0.358) USER MOD Single : A 45 HIS : no HD1:sc= -1.26 K(o=-1.3,f=0.29) USER MOD Single : A 46 THR OG1 : rot 81:sc= 0.146 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= -0.124 (180deg=-0.45) USER MOD Single : A 63 SER OG : rot 67:sc= 1.19 USER MOD Single : A 68 THR OG1 : rot -109:sc= 0.0201 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0.193 USER MOD Single : A 85 CYS SG : rot 71:sc= -0.0202 USER MOD Single : A 92 MET CE :methyl 146:sc= -0.0398 (180deg=-0.4) USER MOD Single : A 100 TYR OH : rot -55:sc= 1.33 USER MOD Single : A 102 GLN : amide:sc= 1.58 K(o=1.6,f=-4!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.573 X(o=-0.57,f=-0.92!) USER MOD Single : A 113 THR OG1 : rot 160:sc= 2.34 USER MOD Single : A 114 HIS : no HD1:sc= 1.43 K(o=1.4,f=-3.2!) USER MOD Single : A 123 THR OG1 : rot 75:sc= 0.192 USER MOD Single : A 124 HIS : no HE2:sc= -1.47! C(o=-1.5!,f=-3!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 109:sc= 0.676 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 HIS : no HD1:sc= 0.149 K(o=0.15,f=-0.98) USER MOD Single : A 146 GLN : amide:sc= -2.5! K(o=-2.5!,f=-0.038) USER MOD Single : A 147 ASN : amide:sc= 0.0776 K(o=0.078,f=-4.2!) USER MOD Single : A 150 SER OG : rot 100:sc= 1.57 USER MOD Single : A 151 TYR OH : rot 24:sc= 0.87 USER MOD Single : A 152 CYS SG : rot 180:sc= 0 USER MOD Single : A 164 ATR O3' : rot 97:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.342 11.352 12.112 1.00 15.05 N ATOM 2 CA MET A 1 0.628 12.753 12.141 1.00 20.97 C ATOM 3 C MET A 1 2.132 12.974 11.799 1.00 16.08 C ATOM 4 O MET A 1 3.019 12.124 11.994 1.00 15.84 O ATOM 5 CB MET A 1 0.350 13.386 13.486 1.00 24.57 C ATOM 6 CG MET A 1 1.591 13.013 14.256 1.00 40.12 C ATOM 7 SD MET A 1 1.492 13.362 15.987 1.00 55.61 S ATOM 8 CE MET A 1 0.408 14.798 15.828 1.00 53.26 C ATOM 0 H1 MET A 1 -0.241 11.181 11.462 1.00 15.05 H new ATOM 0 H2 MET A 1 1.093 10.898 11.963 1.00 15.05 H new ATOM 0 H3 MET A 1 -0.004 11.103 12.893 1.00 15.05 H new ATOM 0 HA MET A 1 0.045 13.173 11.490 1.00 20.97 H new ATOM 0 HB2 MET A 1 0.236 14.347 13.421 1.00 24.57 H new ATOM 0 HB3 MET A 1 -0.454 13.032 13.897 1.00 24.57 H new ATOM 0 HG2 MET A 1 1.764 12.066 14.135 1.00 40.12 H new ATOM 0 HG3 MET A 1 2.349 13.489 13.882 1.00 40.12 H new ATOM 0 HE1 MET A 1 0.334 15.245 16.686 1.00 53.26 H new ATOM 0 HE2 MET A 1 0.778 15.412 15.175 1.00 53.26 H new ATOM 0 HE3 MET A 1 -0.471 14.509 15.538 1.00 53.26 H new ATOM 9 N ILE A 2 2.342 14.141 11.294 1.00 17.89 N ATOM 10 CA ILE A 2 3.663 14.542 10.891 1.00 15.85 C ATOM 11 C ILE A 2 4.215 15.467 11.851 1.00 13.86 C ATOM 12 O ILE A 2 3.548 16.431 12.244 1.00 15.48 O ATOM 13 CB ILE A 2 3.472 15.304 9.571 1.00 20.43 C ATOM 14 CG1 ILE A 2 3.031 14.244 8.592 1.00 21.38 C ATOM 15 CG2 ILE A 2 4.704 16.105 9.058 1.00 19.46 C ATOM 16 CD1 ILE A 2 2.873 14.843 7.236 1.00 26.53 C ATOM 0 H ILE A 2 1.731 14.733 11.169 1.00 17.89 H new ATOM 0 HA ILE A 2 4.253 13.776 10.814 1.00 15.85 H new ATOM 0 HB ILE A 2 2.824 16.015 9.695 1.00 20.43 H new ATOM 0 HG12 ILE A 2 3.683 13.527 8.564 1.00 21.38 H new ATOM 0 HG13 ILE A 2 2.192 13.853 8.882 1.00 21.38 H new ATOM 0 HG21 ILE A 2 4.479 16.546 8.224 1.00 19.46 H new ATOM 0 HG22 ILE A 2 4.955 16.770 9.718 1.00 19.46 H new ATOM 0 HG23 ILE A 2 5.447 15.498 8.912 1.00 19.46 H new ATOM 0 HD11 ILE A 2 2.590 14.158 6.610 1.00 26.53 H new ATOM 0 HD12 ILE A 2 2.206 15.547 7.269 1.00 26.53 H new ATOM 0 HD13 ILE A 2 3.721 15.215 6.945 1.00 26.53 H new ATOM 17 N SER A 3 5.461 15.222 12.184 1.00 12.33 N ATOM 18 CA SER A 3 6.077 16.188 13.111 1.00 15.63 C ATOM 19 C SER A 3 7.449 16.671 12.557 1.00 16.78 C ATOM 20 O SER A 3 8.120 15.928 11.841 1.00 14.77 O ATOM 21 CB SER A 3 6.468 15.546 14.437 1.00 18.35 C ATOM 22 OG SER A 3 5.381 14.893 14.981 1.00 18.61 O ATOM 0 H SER A 3 5.948 14.564 11.920 1.00 12.33 H new ATOM 0 HA SER A 3 5.417 16.891 13.216 1.00 15.63 H new ATOM 0 HB2 SER A 3 7.196 14.920 14.300 1.00 18.35 H new ATOM 0 HB3 SER A 3 6.789 16.224 15.052 1.00 18.35 H new ATOM 0 HG SER A 3 5.641 14.203 15.384 1.00 18.61 H new ATOM 23 N LEU A 4 7.841 17.850 12.921 1.00 12.17 N ATOM 24 CA LEU A 4 9.144 18.319 12.473 1.00 15.29 C ATOM 25 C LEU A 4 10.080 18.395 13.657 1.00 18.78 C ATOM 26 O LEU A 4 9.657 18.816 14.755 1.00 15.20 O ATOM 27 CB LEU A 4 8.968 19.757 12.029 1.00 20.15 C ATOM 28 CG LEU A 4 8.694 19.996 10.544 1.00 19.33 C ATOM 29 CD1 LEU A 4 7.644 19.121 9.917 1.00 17.26 C ATOM 30 CD2 LEU A 4 8.525 21.493 10.248 1.00 15.62 C ATOM 0 H LEU A 4 7.395 18.395 13.414 1.00 12.17 H new ATOM 0 HA LEU A 4 9.484 17.731 11.780 1.00 15.29 H new ATOM 0 HB2 LEU A 4 8.236 20.142 12.536 1.00 20.15 H new ATOM 0 HB3 LEU A 4 9.769 20.247 12.270 1.00 20.15 H new ATOM 0 HG LEU A 4 9.493 19.695 10.085 1.00 19.33 H new ATOM 0 HD11 LEU A 4 7.548 19.352 8.980 1.00 17.26 H new ATOM 0 HD12 LEU A 4 7.909 18.191 9.995 1.00 17.26 H new ATOM 0 HD13 LEU A 4 6.797 19.255 10.371 1.00 17.26 H new ATOM 0 HD21 LEU A 4 8.353 21.619 9.302 1.00 15.62 H new ATOM 0 HD22 LEU A 4 7.780 21.842 10.761 1.00 15.62 H new ATOM 0 HD23 LEU A 4 9.336 21.965 10.494 1.00 15.62 H new ATOM 31 N ILE A 5 11.370 18.037 13.512 1.00 15.66 N ATOM 32 CA ILE A 5 12.256 18.199 14.671 1.00 8.89 C ATOM 33 C ILE A 5 13.432 19.073 14.257 1.00 10.03 C ATOM 34 O ILE A 5 13.954 18.843 13.191 1.00 15.01 O ATOM 35 CB ILE A 5 12.661 16.881 15.222 1.00 7.67 C ATOM 36 CG1 ILE A 5 13.700 17.138 16.263 1.00 7.48 C ATOM 37 CG2 ILE A 5 13.138 15.923 14.101 1.00 7.90 C ATOM 38 CD1 ILE A 5 13.819 15.970 17.268 1.00 9.12 C ATOM 0 H ILE A 5 11.730 17.719 12.798 1.00 15.66 H new ATOM 0 HA ILE A 5 11.792 18.645 15.397 1.00 8.89 H new ATOM 0 HB ILE A 5 11.908 16.426 15.631 1.00 7.67 H new ATOM 0 HG12 ILE A 5 14.558 17.282 15.833 1.00 7.48 H new ATOM 0 HG13 ILE A 5 13.482 17.953 16.741 1.00 7.48 H new ATOM 0 HG21 ILE A 5 13.395 15.072 14.490 1.00 7.90 H new ATOM 0 HG22 ILE A 5 12.418 15.783 13.466 1.00 7.90 H new ATOM 0 HG23 ILE A 5 13.900 16.313 13.644 1.00 7.90 H new ATOM 0 HD11 ILE A 5 14.502 16.176 17.925 1.00 9.12 H new ATOM 0 HD12 ILE A 5 12.969 15.841 17.716 1.00 9.12 H new ATOM 0 HD13 ILE A 5 14.061 15.159 16.794 1.00 9.12 H new ATOM 39 N ALA A 6 13.892 20.103 14.979 1.00 6.46 N ATOM 40 CA ALA A 6 15.018 20.887 14.469 1.00 9.43 C ATOM 41 C ALA A 6 15.701 21.568 15.633 1.00 18.08 C ATOM 42 O ALA A 6 15.102 21.709 16.729 1.00 16.19 O ATOM 43 CB ALA A 6 14.487 22.035 13.568 1.00 11.43 C ATOM 0 H ALA A 6 13.578 20.355 15.739 1.00 6.46 H new ATOM 0 HA ALA A 6 15.614 20.296 13.983 1.00 9.43 H new ATOM 0 HB1 ALA A 6 15.234 22.554 13.231 1.00 11.43 H new ATOM 0 HB2 ALA A 6 13.992 21.659 12.823 1.00 11.43 H new ATOM 0 HB3 ALA A 6 13.903 22.610 14.087 1.00 11.43 H new ATOM 44 N ALA A 7 16.960 21.983 15.396 1.00 15.42 N ATOM 45 CA ALA A 7 17.752 22.693 16.389 1.00 11.13 C ATOM 46 C ALA A 7 17.986 24.049 15.735 1.00 22.49 C ATOM 47 O ALA A 7 18.403 24.184 14.552 1.00 16.18 O ATOM 48 CB ALA A 7 19.056 22.002 16.757 1.00 13.17 C ATOM 0 H ALA A 7 17.369 21.855 14.650 1.00 15.42 H new ATOM 0 HA ALA A 7 17.294 22.744 17.243 1.00 11.13 H new ATOM 0 HB1 ALA A 7 19.527 22.531 17.420 1.00 13.17 H new ATOM 0 HB2 ALA A 7 18.865 21.123 17.121 1.00 13.17 H new ATOM 0 HB3 ALA A 7 19.609 21.911 15.965 1.00 13.17 H new ATOM 49 N LEU A 8 17.680 25.115 16.479 1.00 14.09 N ATOM 50 CA LEU A 8 17.839 26.406 15.934 1.00 17.58 C ATOM 51 C LEU A 8 18.446 27.417 16.831 1.00 23.03 C ATOM 52 O LEU A 8 18.163 27.417 18.018 1.00 17.72 O ATOM 53 CB LEU A 8 16.563 27.081 15.346 1.00 34.56 C ATOM 54 CG LEU A 8 15.207 26.948 16.023 1.00 24.10 C ATOM 55 CD1 LEU A 8 14.226 28.036 15.547 1.00 28.95 C ATOM 56 CD2 LEU A 8 14.621 25.634 15.513 1.00 30.85 C ATOM 0 H LEU A 8 17.385 25.087 17.286 1.00 14.09 H new ATOM 0 HA LEU A 8 18.448 26.172 15.216 1.00 17.58 H new ATOM 0 HB2 LEU A 8 16.752 28.030 15.279 1.00 34.56 H new ATOM 0 HB3 LEU A 8 16.460 26.747 14.441 1.00 34.56 H new ATOM 0 HG LEU A 8 15.321 27.007 16.984 1.00 24.10 H new ATOM 0 HD11 LEU A 8 13.374 27.923 15.997 1.00 28.95 H new ATOM 0 HD12 LEU A 8 14.587 28.912 15.756 1.00 28.95 H new ATOM 0 HD13 LEU A 8 14.098 27.960 14.589 1.00 28.95 H new ATOM 0 HD21 LEU A 8 13.749 25.492 15.912 1.00 30.85 H new ATOM 0 HD22 LEU A 8 14.532 25.672 14.548 1.00 30.85 H new ATOM 0 HD23 LEU A 8 15.210 24.902 15.754 1.00 30.85 H new ATOM 57 N ALA A 9 19.273 28.307 16.221 1.00 10.70 N ATOM 58 CA ALA A 9 19.877 29.315 17.027 1.00 13.19 C ATOM 59 C ALA A 9 19.046 30.542 16.943 1.00 15.89 C ATOM 60 O ALA A 9 17.897 30.486 16.498 1.00 19.16 O ATOM 61 CB ALA A 9 21.231 29.650 16.510 1.00 22.44 C ATOM 0 H ALA A 9 19.470 28.321 15.384 1.00 10.70 H new ATOM 0 HA ALA A 9 19.946 28.991 17.939 1.00 13.19 H new ATOM 0 HB1 ALA A 9 21.630 30.336 17.067 1.00 22.44 H new ATOM 0 HB2 ALA A 9 21.789 28.857 16.526 1.00 22.44 H new ATOM 0 HB3 ALA A 9 21.158 29.976 15.599 1.00 22.44 H new ATOM 62 N VAL A 10 19.639 31.668 17.364 1.00 21.17 N ATOM 63 CA VAL A 10 18.845 32.866 17.255 1.00 35.95 C ATOM 64 C VAL A 10 18.606 33.149 15.803 1.00 36.07 C ATOM 65 O VAL A 10 19.392 32.781 14.899 1.00 31.00 O ATOM 66 CB VAL A 10 19.342 34.107 18.024 1.00 41.02 C ATOM 67 CG1 VAL A 10 19.415 33.768 19.521 1.00 39.26 C ATOM 68 CG2 VAL A 10 20.656 34.690 17.482 1.00 32.07 C ATOM 0 H VAL A 10 20.432 31.748 17.687 1.00 21.17 H new ATOM 0 HA VAL A 10 18.013 32.677 17.715 1.00 35.95 H new ATOM 0 HB VAL A 10 18.700 34.821 17.888 1.00 41.02 H new ATOM 0 HG11 VAL A 10 19.727 34.543 20.014 1.00 39.26 H new ATOM 0 HG12 VAL A 10 18.534 33.516 19.839 1.00 39.26 H new ATOM 0 HG13 VAL A 10 20.030 33.030 19.656 1.00 39.26 H new ATOM 0 HG21 VAL A 10 20.909 35.464 18.009 1.00 32.07 H new ATOM 0 HG22 VAL A 10 21.355 34.020 17.537 1.00 32.07 H new ATOM 0 HG23 VAL A 10 20.535 34.955 16.557 1.00 32.07 H new ATOM 69 N ASP A 11 17.504 33.803 15.547 1.00 39.26 N ATOM 70 CA ASP A 11 17.274 34.087 14.155 1.00 31.44 C ATOM 71 C ASP A 11 16.869 32.896 13.334 1.00 17.03 C ATOM 72 O ASP A 11 16.894 32.975 12.137 1.00 33.25 O ATOM 73 CB ASP A 11 18.369 34.936 13.466 1.00 34.31 C ATOM 74 CG ASP A 11 18.599 36.296 14.110 1.00 47.66 C ATOM 75 OD1 ASP A 11 17.665 37.056 14.441 1.00 47.74 O ATOM 76 OD2 ASP A 11 19.898 36.567 14.258 1.00 49.24 O ATOM 0 H ASP A 11 16.915 34.075 16.112 1.00 39.26 H new ATOM 0 HA ASP A 11 16.494 34.663 14.187 1.00 31.44 H new ATOM 0 HB2 ASP A 11 19.202 34.440 13.475 1.00 34.31 H new ATOM 0 HB3 ASP A 11 18.126 35.066 12.536 1.00 34.31 H new ATOM 77 N ARG A 12 16.501 31.803 13.958 1.00 12.16 N ATOM 78 CA ARG A 12 16.041 30.640 13.208 1.00 13.77 C ATOM 79 C ARG A 12 17.077 29.959 12.328 1.00 11.85 C ATOM 80 O ARG A 12 16.693 29.134 11.516 1.00 14.78 O ATOM 81 CB ARG A 12 14.762 30.886 12.430 1.00 18.12 C ATOM 82 CG ARG A 12 13.554 31.327 13.310 1.00 29.58 C ATOM 83 CD ARG A 12 12.169 31.159 12.700 1.00 28.01 C ATOM 84 NE ARG A 12 12.267 31.560 11.329 1.00 37.65 N ATOM 85 CZ ARG A 12 12.314 32.782 10.878 1.00 35.57 C ATOM 86 NH1 ARG A 12 12.245 33.863 11.620 1.00 27.44 N ATOM 87 NH2 ARG A 12 12.440 32.903 9.585 1.00 37.71 N ATOM 0 H ARG A 12 16.506 31.704 14.812 1.00 12.16 H new ATOM 0 HA ARG A 12 15.851 30.009 13.920 1.00 13.77 H new ATOM 0 HB2 ARG A 12 14.928 31.569 11.761 1.00 18.12 H new ATOM 0 HB3 ARG A 12 14.524 30.075 11.954 1.00 18.12 H new ATOM 0 HG2 ARG A 12 13.583 30.824 14.139 1.00 29.58 H new ATOM 0 HG3 ARG A 12 13.672 32.262 13.541 1.00 29.58 H new ATOM 0 HD2 ARG A 12 11.873 30.238 12.768 1.00 28.01 H new ATOM 0 HD3 ARG A 12 11.518 31.702 13.171 1.00 28.01 H new ATOM 0 HE ARG A 12 12.298 30.931 10.744 1.00 37.65 H new ATOM 0 HH11 ARG A 12 12.162 33.794 12.473 1.00 27.44 H new ATOM 0 HH12 ARG A 12 12.283 34.640 11.253 1.00 27.44 H new ATOM 0 HH21 ARG A 12 12.486 32.201 9.090 1.00 37.71 H new ATOM 0 HH22 ARG A 12 12.477 33.684 9.228 1.00 37.71 H new ATOM 88 N VAL A 13 18.322 30.346 12.515 1.00 13.46 N ATOM 89 CA VAL A 13 19.432 29.731 11.776 1.00 18.22 C ATOM 90 C VAL A 13 19.573 28.239 12.098 1.00 19.58 C ATOM 91 O VAL A 13 19.724 27.800 13.245 1.00 15.05 O ATOM 92 CB VAL A 13 20.752 30.385 12.125 1.00 22.43 C ATOM 93 CG1 VAL A 13 21.876 29.598 11.450 1.00 10.77 C ATOM 94 CG2 VAL A 13 20.678 31.848 11.677 1.00 25.02 C ATOM 0 H VAL A 13 18.557 30.964 13.065 1.00 13.46 H new ATOM 0 HA VAL A 13 19.225 29.853 10.836 1.00 18.22 H new ATOM 0 HB VAL A 13 20.935 30.377 13.078 1.00 22.43 H new ATOM 0 HG11 VAL A 13 22.730 30.005 11.664 1.00 10.77 H new ATOM 0 HG12 VAL A 13 21.866 28.682 11.768 1.00 10.77 H new ATOM 0 HG13 VAL A 13 21.746 29.607 10.489 1.00 10.77 H new ATOM 0 HG21 VAL A 13 21.513 32.294 11.889 1.00 25.02 H new ATOM 0 HG22 VAL A 13 20.525 31.886 10.720 1.00 25.02 H new ATOM 0 HG23 VAL A 13 19.949 32.291 12.138 1.00 25.02 H new ATOM 95 N ILE A 14 19.507 27.375 11.073 1.00 14.05 N ATOM 96 CA ILE A 14 19.642 25.962 11.302 1.00 16.28 C ATOM 97 C ILE A 14 20.884 25.398 10.603 1.00 15.61 C ATOM 98 O ILE A 14 21.219 24.275 10.827 1.00 14.52 O ATOM 99 CB ILE A 14 18.357 25.096 10.908 1.00 24.40 C ATOM 100 CG1 ILE A 14 17.828 25.367 9.482 1.00 26.42 C ATOM 101 CG2 ILE A 14 17.224 25.204 11.940 1.00 12.13 C ATOM 102 CD1 ILE A 14 16.771 24.386 8.901 1.00 28.73 C ATOM 0 H ILE A 14 19.385 27.600 10.252 1.00 14.05 H new ATOM 0 HA ILE A 14 19.739 25.880 12.264 1.00 16.28 H new ATOM 0 HB ILE A 14 18.678 24.181 10.914 1.00 24.40 H new ATOM 0 HG12 ILE A 14 17.445 26.258 9.471 1.00 26.42 H new ATOM 0 HG13 ILE A 14 18.588 25.377 8.879 1.00 26.42 H new ATOM 0 HG21 ILE A 14 16.472 24.662 11.653 1.00 12.13 H new ATOM 0 HG22 ILE A 14 17.540 24.889 12.801 1.00 12.13 H new ATOM 0 HG23 ILE A 14 16.944 26.129 12.018 1.00 12.13 H new ATOM 0 HD11 ILE A 14 16.525 24.668 8.006 1.00 28.73 H new ATOM 0 HD12 ILE A 14 17.144 23.491 8.867 1.00 28.73 H new ATOM 0 HD13 ILE A 14 15.983 24.386 9.467 1.00 28.73 H new ATOM 103 N GLY A 15 21.554 26.146 9.741 1.00 16.10 N ATOM 104 CA GLY A 15 22.728 25.559 9.077 1.00 15.28 C ATOM 105 C GLY A 15 23.522 26.617 8.362 1.00 15.14 C ATOM 106 O GLY A 15 23.076 27.727 8.151 1.00 16.08 O ATOM 0 H GLY A 15 21.366 26.958 9.528 1.00 16.10 H new ATOM 0 HA2 GLY A 15 23.288 25.117 9.733 1.00 15.28 H new ATOM 0 HA3 GLY A 15 22.442 24.881 8.445 1.00 15.28 H new ATOM 107 N MET A 16 24.725 26.264 8.013 1.00 18.47 N ATOM 108 CA MET A 16 25.680 27.139 7.301 1.00 20.13 C ATOM 109 C MET A 16 26.565 26.264 6.462 1.00 17.03 C ATOM 110 O MET A 16 26.461 25.039 6.507 1.00 16.37 O ATOM 111 CB MET A 16 26.540 27.999 8.211 1.00 19.27 C ATOM 112 CG MET A 16 26.630 27.465 9.596 1.00 35.38 C ATOM 113 SD MET A 16 28.216 27.896 10.326 1.00 63.31 S ATOM 114 CE MET A 16 29.270 27.693 8.848 1.00 44.77 C ATOM 0 H MET A 16 25.044 25.483 8.179 1.00 18.47 H new ATOM 0 HA MET A 16 25.160 27.761 6.768 1.00 20.13 H new ATOM 0 HB2 MET A 16 27.432 28.066 7.837 1.00 19.27 H new ATOM 0 HB3 MET A 16 26.176 28.897 8.239 1.00 19.27 H new ATOM 0 HG2 MET A 16 25.909 27.825 10.136 1.00 35.38 H new ATOM 0 HG3 MET A 16 26.522 26.501 9.586 1.00 35.38 H new ATOM 0 HE1 MET A 16 30.177 27.486 9.123 1.00 44.77 H new ATOM 0 HE2 MET A 16 28.925 26.970 8.301 1.00 44.77 H new ATOM 0 HE3 MET A 16 29.268 28.515 8.334 1.00 44.77 H new ATOM 115 N GLU A 17 27.455 26.833 5.685 1.00 22.74 N ATOM 116 CA GLU A 17 28.323 25.986 4.859 1.00 22.87 C ATOM 117 C GLU A 17 29.165 24.995 5.652 1.00 23.37 C ATOM 118 O GLU A 17 29.225 23.789 5.325 1.00 27.74 O ATOM 119 CB GLU A 17 29.241 26.851 3.969 0.00 20.45 C ATOM 120 CG GLU A 17 30.165 26.029 3.045 0.00 20.02 C ATOM 121 CD GLU A 17 31.045 26.864 2.150 0.00 20.00 C ATOM 122 OE1 GLU A 17 30.866 28.154 2.302 0.00 20.00 O ATOM 123 OE2 GLU A 17 31.848 26.382 1.371 0.00 20.00 O ATOM 0 H GLU A 17 27.582 27.680 5.612 1.00 22.74 H new ATOM 0 HA GLU A 17 27.721 25.459 4.310 1.00 22.87 H new ATOM 0 HB2 GLU A 17 28.692 27.437 3.425 0.00 20.45 H new ATOM 0 HB3 GLU A 17 29.786 27.419 4.536 0.00 20.45 H new ATOM 0 HG2 GLU A 17 30.726 25.457 3.592 0.00 20.02 H new ATOM 0 HG3 GLU A 17 29.619 25.447 2.493 0.00 20.02 H new ATOM 124 N ASN A 18 29.842 25.513 6.711 1.00 20.65 N ATOM 125 CA ASN A 18 30.713 24.624 7.527 1.00 26.11 C ATOM 126 C ASN A 18 29.990 24.101 8.745 1.00 24.75 C ATOM 127 O ASN A 18 28.873 24.515 9.031 1.00 18.65 O ATOM 128 CB ASN A 18 31.986 25.387 7.971 1.00 26.67 C ATOM 129 CG ASN A 18 32.623 26.082 6.751 1.00 38.66 C ATOM 130 OD1 ASN A 18 32.890 27.328 6.719 1.00 41.34 O ATOM 131 ND2 ASN A 18 32.769 25.269 5.690 1.00 24.06 N ATOM 0 H ASN A 18 29.813 26.335 6.962 1.00 20.65 H new ATOM 0 HA ASN A 18 30.960 23.867 6.972 1.00 26.11 H new ATOM 0 HB2 ASN A 18 31.761 26.044 8.648 1.00 26.67 H new ATOM 0 HB3 ASN A 18 32.620 24.772 8.372 1.00 26.67 H new ATOM 0 HD21 ASN A 18 33.055 25.584 4.943 1.00 24.06 H new ATOM 0 HD22 ASN A 18 32.576 24.434 5.759 1.00 24.06 H new ATOM 132 N ALA A 19 30.639 23.224 9.465 1.00 16.62 N ATOM 133 CA ALA A 19 30.027 22.692 10.679 1.00 19.14 C ATOM 134 C ALA A 19 29.648 23.834 11.646 1.00 20.52 C ATOM 135 O ALA A 19 30.302 24.847 11.728 1.00 16.38 O ATOM 136 CB ALA A 19 31.141 21.843 11.291 1.00 18.15 C ATOM 0 H ALA A 19 31.423 22.920 9.283 1.00 16.62 H new ATOM 0 HA ALA A 19 29.212 22.196 10.503 1.00 19.14 H new ATOM 0 HB1 ALA A 19 30.826 21.441 12.115 1.00 18.15 H new ATOM 0 HB2 ALA A 19 31.396 21.145 10.668 1.00 18.15 H new ATOM 0 HB3 ALA A 19 31.910 22.404 11.479 1.00 18.15 H new ATOM 137 N MET A 20 28.572 23.698 12.434 1.00 18.66 N ATOM 138 CA MET A 20 28.177 24.717 13.365 1.00 18.69 C ATOM 139 C MET A 20 29.196 24.755 14.510 1.00 14.08 C ATOM 140 O MET A 20 29.732 23.728 14.904 1.00 14.93 O ATOM 141 CB MET A 20 26.842 24.190 13.906 1.00 22.43 C ATOM 142 CG MET A 20 25.840 24.140 12.770 1.00 28.00 C ATOM 143 SD MET A 20 25.745 25.792 12.054 1.00 43.21 S ATOM 144 CE MET A 20 24.559 26.646 13.102 1.00 47.99 C ATOM 0 H MET A 20 28.062 23.006 12.431 1.00 18.66 H new ATOM 0 HA MET A 20 28.117 25.604 12.976 1.00 18.69 H new ATOM 0 HB2 MET A 20 26.960 23.307 14.289 1.00 22.43 H new ATOM 0 HB3 MET A 20 26.517 24.766 14.616 1.00 22.43 H new ATOM 0 HG2 MET A 20 26.115 23.494 12.101 1.00 28.00 H new ATOM 0 HG3 MET A 20 24.970 23.859 13.095 1.00 28.00 H new ATOM 0 HE1 MET A 20 24.241 27.442 12.649 1.00 47.99 H new ATOM 0 HE2 MET A 20 23.810 26.059 13.288 1.00 47.99 H new ATOM 0 HE3 MET A 20 24.986 26.898 13.936 1.00 47.99 H new ATOM 145 N PRO A 21 29.451 25.945 15.030 1.00 14.00 N ATOM 146 CA PRO A 21 30.403 26.214 16.099 1.00 23.57 C ATOM 147 C PRO A 21 29.796 25.949 17.500 1.00 32.93 C ATOM 148 O PRO A 21 29.714 26.874 18.338 1.00 24.65 O ATOM 149 CB PRO A 21 30.571 27.720 16.065 1.00 18.49 C ATOM 150 CG PRO A 21 29.228 28.213 15.592 1.00 22.79 C ATOM 151 CD PRO A 21 28.833 27.181 14.552 1.00 15.87 C ATOM 0 HA PRO A 21 31.197 25.672 15.973 1.00 23.57 H new ATOM 0 HB2 PRO A 21 30.794 28.074 16.940 1.00 18.49 H new ATOM 0 HB3 PRO A 21 31.282 27.987 15.462 1.00 18.49 H new ATOM 0 HG2 PRO A 21 28.585 28.256 16.317 1.00 22.79 H new ATOM 0 HG3 PRO A 21 29.286 29.103 15.211 1.00 22.79 H new ATOM 0 HD2 PRO A 21 27.869 27.094 14.486 1.00 15.87 H new ATOM 0 HD3 PRO A 21 29.157 27.423 13.670 1.00 15.87 H new ATOM 152 N TRP A 22 29.385 24.721 17.711 1.00 21.63 N ATOM 153 CA TRP A 22 28.808 24.309 18.968 1.00 33.06 C ATOM 154 C TRP A 22 28.917 22.824 19.110 1.00 30.27 C ATOM 155 O TRP A 22 29.153 22.181 18.121 1.00 27.17 O ATOM 156 CB TRP A 22 27.403 24.846 19.270 1.00 23.52 C ATOM 157 CG TRP A 22 26.363 24.312 18.392 1.00 22.14 C ATOM 158 CD1 TRP A 22 26.118 23.011 18.115 1.00 30.46 C ATOM 159 CD2 TRP A 22 25.424 25.059 17.640 1.00 17.09 C ATOM 160 NE1 TRP A 22 25.058 22.919 17.251 1.00 29.43 N ATOM 161 CE2 TRP A 22 24.628 24.141 16.931 1.00 15.11 C ATOM 162 CE3 TRP A 22 25.184 26.395 17.474 1.00 25.90 C ATOM 163 CZ2 TRP A 22 23.615 24.495 16.094 1.00 20.75 C ATOM 164 CZ3 TRP A 22 24.133 26.735 16.648 1.00 30.22 C ATOM 165 CH2 TRP A 22 23.363 25.798 15.964 1.00 23.95 C ATOM 0 H TRP A 22 29.433 24.095 17.124 1.00 21.63 H new ATOM 0 HA TRP A 22 29.337 24.736 19.660 1.00 33.06 H new ATOM 0 HB2 TRP A 22 27.177 24.636 20.190 1.00 23.52 H new ATOM 0 HB3 TRP A 22 27.413 25.813 19.194 1.00 23.52 H new ATOM 0 HD1 TRP A 22 26.595 22.290 18.458 1.00 30.46 H new ATOM 0 HE1 TRP A 22 24.721 22.184 16.959 1.00 29.43 H new ATOM 0 HE3 TRP A 22 25.703 27.041 17.896 1.00 25.90 H new ATOM 0 HZ2 TRP A 22 23.120 23.856 15.633 1.00 20.75 H new ATOM 0 HZ3 TRP A 22 23.928 27.636 16.543 1.00 30.22 H new ATOM 0 HH2 TRP A 22 22.669 26.082 15.414 1.00 23.95 H new ATOM 166 N ASN A 23 28.761 22.326 20.324 1.00 22.44 N ATOM 167 CA ASN A 23 28.848 20.920 20.615 1.00 21.37 C ATOM 168 C ASN A 23 27.732 20.670 21.625 1.00 15.93 C ATOM 169 O ASN A 23 27.892 21.137 22.740 1.00 17.77 O ATOM 170 CB ASN A 23 30.212 20.759 21.278 1.00 26.83 C ATOM 171 CG ASN A 23 30.896 19.548 20.777 1.00 40.86 C ATOM 172 OD1 ASN A 23 32.076 19.580 20.431 1.00 54.40 O ATOM 173 ND2 ASN A 23 30.088 18.551 20.507 1.00 41.04 N ATOM 0 H ASN A 23 28.598 22.812 21.014 1.00 22.44 H new ATOM 0 HA ASN A 23 28.761 20.320 19.858 1.00 21.37 H new ATOM 0 HB2 ASN A 23 30.758 21.541 21.100 1.00 26.83 H new ATOM 0 HB3 ASN A 23 30.104 20.701 22.240 1.00 26.83 H new ATOM 0 HD21 ASN A 23 30.376 17.872 20.065 1.00 41.04 H new ATOM 0 HD22 ASN A 23 29.270 18.577 20.772 1.00 41.04 H new ATOM 174 N LEU A 24 26.665 19.994 21.208 1.00 14.56 N ATOM 175 CA LEU A 24 25.512 19.738 22.056 1.00 14.70 C ATOM 176 C LEU A 24 25.070 18.318 22.044 1.00 14.25 C ATOM 177 O LEU A 24 24.044 17.944 21.493 1.00 21.10 O ATOM 178 CB LEU A 24 24.343 20.659 21.664 1.00 18.80 C ATOM 179 CG LEU A 24 24.661 22.171 21.590 1.00 27.27 C ATOM 180 CD1 LEU A 24 23.534 22.944 20.878 1.00 30.41 C ATOM 181 CD2 LEU A 24 24.949 22.815 22.943 1.00 22.43 C ATOM 0 H LEU A 24 26.592 19.669 20.415 1.00 14.56 H new ATOM 0 HA LEU A 24 25.795 19.931 22.963 1.00 14.70 H new ATOM 0 HB2 LEU A 24 24.008 20.375 20.799 1.00 18.80 H new ATOM 0 HB3 LEU A 24 23.625 20.529 22.303 1.00 18.80 H new ATOM 0 HG LEU A 24 25.480 22.230 21.073 1.00 27.27 H new ATOM 0 HD11 LEU A 24 23.759 23.887 20.846 1.00 30.41 H new ATOM 0 HD12 LEU A 24 23.430 22.606 19.975 1.00 30.41 H new ATOM 0 HD13 LEU A 24 22.703 22.827 21.365 1.00 30.41 H new ATOM 0 HD21 LEU A 24 25.139 23.758 22.819 1.00 22.43 H new ATOM 0 HD22 LEU A 24 24.176 22.714 23.521 1.00 22.43 H new ATOM 0 HD23 LEU A 24 25.715 22.382 23.351 1.00 22.43 H new ATOM 182 N PRO A 25 25.874 17.504 22.680 1.00 22.33 N ATOM 183 CA PRO A 25 25.592 16.118 22.789 1.00 18.05 C ATOM 184 C PRO A 25 24.172 15.846 23.395 1.00 20.83 C ATOM 185 O PRO A 25 23.499 14.890 23.037 1.00 16.30 O ATOM 186 CB PRO A 25 26.641 15.588 23.779 1.00 18.75 C ATOM 187 CG PRO A 25 27.557 16.713 24.202 1.00 19.48 C ATOM 188 CD PRO A 25 27.179 17.888 23.336 1.00 15.50 C ATOM 0 HA PRO A 25 25.614 15.698 21.915 1.00 18.05 H new ATOM 0 HB2 PRO A 25 26.202 15.207 24.556 1.00 18.75 H new ATOM 0 HB3 PRO A 25 27.157 14.877 23.367 1.00 18.75 H new ATOM 0 HG2 PRO A 25 27.443 16.921 25.142 1.00 19.48 H new ATOM 0 HG3 PRO A 25 28.488 16.471 24.076 1.00 19.48 H new ATOM 0 HD2 PRO A 25 27.079 18.694 23.866 1.00 15.50 H new ATOM 0 HD3 PRO A 25 27.864 18.067 22.673 1.00 15.50 H new ATOM 189 N ALA A 26 23.735 16.684 24.321 1.00 12.65 N ATOM 190 CA ALA A 26 22.439 16.482 24.928 1.00 17.59 C ATOM 191 C ALA A 26 21.379 16.630 23.890 1.00 18.99 C ATOM 192 O ALA A 26 20.373 15.924 23.881 1.00 15.06 O ATOM 193 CB ALA A 26 22.170 17.619 25.916 1.00 14.91 C ATOM 0 H ALA A 26 24.170 17.368 24.608 1.00 12.65 H new ATOM 0 HA ALA A 26 22.430 15.607 25.347 1.00 17.59 H new ATOM 0 HB1 ALA A 26 21.301 17.491 26.328 1.00 14.91 H new ATOM 0 HB2 ALA A 26 22.856 17.621 26.602 1.00 14.91 H new ATOM 0 HB3 ALA A 26 22.182 18.467 25.445 1.00 14.91 H new ATOM 194 N ASP A 27 21.600 17.572 23.007 1.00 13.09 N ATOM 195 CA ASP A 27 20.581 17.759 21.977 1.00 21.16 C ATOM 196 C ASP A 27 20.519 16.542 21.063 1.00 18.34 C ATOM 197 O ASP A 27 19.483 16.000 20.667 1.00 12.62 O ATOM 198 CB ASP A 27 20.734 19.116 21.269 1.00 26.75 C ATOM 199 CG ASP A 27 19.845 19.232 20.076 1.00 29.58 C ATOM 200 OD1 ASP A 27 18.628 19.180 20.128 1.00 26.60 O ATOM 201 OD2 ASP A 27 20.532 19.202 18.975 1.00 19.28 O ATOM 0 H ASP A 27 22.285 18.091 22.973 1.00 13.09 H new ATOM 0 HA ASP A 27 19.704 17.811 22.389 1.00 21.16 H new ATOM 0 HB2 ASP A 27 20.530 19.830 21.893 1.00 26.75 H new ATOM 0 HB3 ASP A 27 21.657 19.234 20.995 1.00 26.75 H new ATOM 202 N LEU A 28 21.710 16.066 20.735 1.00 22.19 N ATOM 203 CA LEU A 28 21.693 14.904 19.928 1.00 24.84 C ATOM 204 C LEU A 28 21.090 13.720 20.724 1.00 20.78 C ATOM 205 O LEU A 28 20.491 12.844 20.105 1.00 18.99 O ATOM 206 CB LEU A 28 23.077 14.570 19.376 1.00 35.46 C ATOM 207 CG LEU A 28 23.428 15.441 18.166 1.00 43.36 C ATOM 208 CD1 LEU A 28 24.632 14.790 17.573 1.00 48.21 C ATOM 209 CD2 LEU A 28 22.370 15.384 17.060 1.00 42.08 C ATOM 0 H LEU A 28 22.478 16.384 20.957 1.00 22.19 H new ATOM 0 HA LEU A 28 21.129 15.076 19.158 1.00 24.84 H new ATOM 0 HB2 LEU A 28 23.742 14.697 20.071 1.00 35.46 H new ATOM 0 HB3 LEU A 28 23.107 13.634 19.122 1.00 35.46 H new ATOM 0 HG LEU A 28 23.528 16.361 18.457 1.00 43.36 H new ATOM 0 HD11 LEU A 28 24.919 15.289 16.792 1.00 48.21 H new ATOM 0 HD12 LEU A 28 25.348 14.775 18.228 1.00 48.21 H new ATOM 0 HD13 LEU A 28 24.414 13.881 17.313 1.00 48.21 H new ATOM 0 HD21 LEU A 28 22.642 15.951 16.322 1.00 42.08 H new ATOM 0 HD22 LEU A 28 22.277 14.470 16.748 1.00 42.08 H new ATOM 0 HD23 LEU A 28 21.520 15.694 17.409 1.00 42.08 H new ATOM 210 N ALA A 29 21.203 13.628 22.074 1.00 19.87 N ATOM 211 CA ALA A 29 20.558 12.461 22.760 1.00 19.20 C ATOM 212 C ALA A 29 19.017 12.598 22.603 1.00 14.63 C ATOM 213 O ALA A 29 18.214 11.647 22.459 1.00 18.05 O ATOM 214 CB ALA A 29 20.952 12.363 24.241 1.00 17.95 C ATOM 0 H ALA A 29 21.616 14.185 22.583 1.00 19.87 H new ATOM 0 HA ALA A 29 20.869 11.641 22.345 1.00 19.20 H new ATOM 0 HB1 ALA A 29 20.513 11.597 24.643 1.00 17.95 H new ATOM 0 HB2 ALA A 29 21.914 12.259 24.314 1.00 17.95 H new ATOM 0 HB3 ALA A 29 20.678 13.171 24.703 1.00 17.95 H new ATOM 215 N TRP A 30 18.570 13.855 22.634 1.00 14.51 N ATOM 216 CA TRP A 30 17.133 14.170 22.464 1.00 16.18 C ATOM 217 C TRP A 30 16.579 13.800 21.078 1.00 17.22 C ATOM 218 O TRP A 30 15.535 13.194 20.932 1.00 15.44 O ATOM 219 CB TRP A 30 17.041 15.656 22.608 1.00 15.67 C ATOM 220 CG TRP A 30 15.787 16.366 22.205 1.00 26.70 C ATOM 221 CD1 TRP A 30 15.626 17.124 21.079 1.00 16.50 C ATOM 222 CD2 TRP A 30 14.532 16.474 22.943 1.00 26.68 C ATOM 223 NE1 TRP A 30 14.369 17.678 21.041 1.00 17.07 N ATOM 224 CE2 TRP A 30 13.670 17.320 22.187 1.00 16.65 C ATOM 225 CE3 TRP A 30 14.064 15.965 24.140 1.00 20.61 C ATOM 226 CZ2 TRP A 30 12.362 17.664 22.604 1.00 27.96 C ATOM 227 CZ3 TRP A 30 12.779 16.337 24.520 1.00 21.40 C ATOM 228 CH2 TRP A 30 11.919 17.157 23.785 1.00 13.89 C ATOM 0 H TRP A 30 19.074 14.542 22.751 1.00 14.51 H new ATOM 0 HA TRP A 30 16.618 13.663 23.112 1.00 16.18 H new ATOM 0 HB2 TRP A 30 17.206 15.867 23.540 1.00 15.67 H new ATOM 0 HB3 TRP A 30 17.769 16.042 22.096 1.00 15.67 H new ATOM 0 HD1 TRP A 30 16.278 17.248 20.428 1.00 16.50 H new ATOM 0 HE1 TRP A 30 14.062 18.170 20.406 1.00 17.07 H new ATOM 0 HE3 TRP A 30 14.584 15.401 24.666 1.00 20.61 H new ATOM 0 HZ2 TRP A 30 11.823 18.219 22.087 1.00 27.96 H new ATOM 0 HZ3 TRP A 30 12.465 16.012 25.333 1.00 21.40 H new ATOM 0 HH2 TRP A 30 11.064 17.351 24.096 1.00 13.89 H new ATOM 229 N PHE A 31 17.321 14.199 20.049 1.00 12.28 N ATOM 230 CA PHE A 31 16.955 13.902 18.710 1.00 11.17 C ATOM 231 C PHE A 31 16.777 12.437 18.529 1.00 12.23 C ATOM 232 O PHE A 31 15.823 11.912 17.979 1.00 14.41 O ATOM 233 CB PHE A 31 18.090 14.391 17.756 1.00 21.05 C ATOM 234 CG PHE A 31 17.898 13.937 16.302 1.00 15.31 C ATOM 235 CD1 PHE A 31 17.153 14.701 15.403 1.00 15.54 C ATOM 236 CD2 PHE A 31 18.461 12.754 15.843 1.00 15.20 C ATOM 237 CE1 PHE A 31 16.967 14.280 14.080 1.00 16.67 C ATOM 238 CE2 PHE A 31 18.310 12.316 14.537 1.00 16.43 C ATOM 239 CZ PHE A 31 17.545 13.082 13.667 1.00 17.69 C ATOM 0 H PHE A 31 18.049 14.650 20.127 1.00 12.28 H new ATOM 0 HA PHE A 31 16.119 14.349 18.507 1.00 11.17 H new ATOM 0 HB2 PHE A 31 18.132 15.360 17.783 1.00 21.05 H new ATOM 0 HB3 PHE A 31 18.942 14.061 18.081 1.00 21.05 H new ATOM 0 HD1 PHE A 31 16.774 15.502 15.686 1.00 15.54 H new ATOM 0 HD2 PHE A 31 18.958 12.236 16.434 1.00 15.20 H new ATOM 0 HE1 PHE A 31 16.466 14.792 13.487 1.00 16.67 H new ATOM 0 HE2 PHE A 31 18.711 11.528 14.250 1.00 16.43 H new ATOM 0 HZ PHE A 31 17.416 12.790 12.793 1.00 17.69 H new ATOM 240 N LYS A 32 17.729 11.662 18.991 1.00 13.89 N ATOM 241 CA LYS A 32 17.655 10.257 18.846 1.00 18.36 C ATOM 242 C LYS A 32 16.518 9.626 19.618 1.00 25.20 C ATOM 243 O LYS A 32 15.804 8.733 19.082 1.00 19.87 O ATOM 244 CB LYS A 32 18.975 9.785 19.339 1.00 25.25 C ATOM 245 CG LYS A 32 19.206 8.313 19.350 1.00 42.48 C ATOM 246 CD LYS A 32 20.715 8.159 19.329 1.00 48.88 C ATOM 247 CE LYS A 32 21.232 7.029 20.150 1.00 58.82 C ATOM 248 NZ LYS A 32 22.517 7.392 20.778 1.00 68.38 N ATOM 0 H LYS A 32 18.432 11.946 19.396 1.00 13.89 H new ATOM 0 HA LYS A 32 17.471 10.006 17.927 1.00 18.36 H new ATOM 0 HB2 LYS A 32 19.665 10.194 18.793 1.00 25.25 H new ATOM 0 HB3 LYS A 32 19.095 10.116 20.243 1.00 25.25 H new ATOM 0 HG2 LYS A 32 18.821 7.902 20.140 1.00 42.48 H new ATOM 0 HG3 LYS A 32 18.798 7.887 18.580 1.00 42.48 H new ATOM 0 HD2 LYS A 32 21.003 8.035 18.411 1.00 48.88 H new ATOM 0 HD3 LYS A 32 21.117 8.983 19.644 1.00 48.88 H new ATOM 0 HE2 LYS A 32 20.585 6.797 20.835 1.00 58.82 H new ATOM 0 HE3 LYS A 32 21.349 6.244 19.592 1.00 58.82 H new ATOM 0 HZ1 LYS A 32 22.813 6.708 21.265 1.00 68.38 H new ATOM 0 HZ2 LYS A 32 23.112 7.586 20.146 1.00 68.38 H new ATOM 0 HZ3 LYS A 32 22.401 8.101 21.303 1.00 68.38 H new ATOM 249 N ARG A 33 16.359 10.107 20.855 1.00 17.55 N ATOM 250 CA ARG A 33 15.288 9.596 21.690 1.00 14.08 C ATOM 251 C ARG A 33 13.997 9.806 20.978 1.00 14.78 C ATOM 252 O ARG A 33 13.220 8.856 20.919 1.00 21.67 O ATOM 253 CB ARG A 33 15.238 10.427 22.958 1.00 30.13 C ATOM 254 CG ARG A 33 14.283 9.926 24.061 1.00 41.17 C ATOM 255 CD ARG A 33 14.777 10.137 25.531 1.00 55.72 C ATOM 256 NE ARG A 33 14.951 11.561 25.997 1.00 66.02 N ATOM 257 CZ ARG A 33 16.116 12.330 26.161 1.00 66.35 C ATOM 258 NH1 ARG A 33 17.361 11.875 25.911 1.00 61.53 N ATOM 259 NH2 ARG A 33 16.031 13.619 26.595 1.00 60.26 N ATOM 0 H ARG A 33 16.850 10.714 21.216 1.00 17.55 H new ATOM 0 HA ARG A 33 15.434 8.657 21.886 1.00 14.08 H new ATOM 0 HB2 ARG A 33 16.134 10.474 23.328 1.00 30.13 H new ATOM 0 HB3 ARG A 33 14.982 11.332 22.720 1.00 30.13 H new ATOM 0 HG2 ARG A 33 13.430 10.375 23.956 1.00 41.17 H new ATOM 0 HG3 ARG A 33 14.124 8.979 23.923 1.00 41.17 H new ATOM 0 HD2 ARG A 33 14.148 9.700 26.126 1.00 55.72 H new ATOM 0 HD3 ARG A 33 15.627 9.681 25.632 1.00 55.72 H new ATOM 0 HE ARG A 33 14.219 11.968 26.194 1.00 66.02 H new ATOM 0 HH11 ARG A 33 17.477 11.069 25.633 1.00 61.53 H new ATOM 0 HH12 ARG A 33 18.039 12.391 26.029 1.00 61.53 H new ATOM 0 HH21 ARG A 33 15.263 13.964 26.769 1.00 60.26 H new ATOM 0 HH22 ARG A 33 16.745 14.087 26.694 1.00 60.26 H new ATOM 260 N ASN A 34 13.758 11.056 20.447 1.00 14.12 N ATOM 261 CA ASN A 34 12.513 11.377 19.751 1.00 12.29 C ATOM 262 C ASN A 34 12.328 10.765 18.346 1.00 16.38 C ATOM 263 O ASN A 34 11.240 10.756 17.809 1.00 26.03 O ATOM 264 CB ASN A 34 12.242 12.900 19.723 1.00 16.05 C ATOM 265 CG ASN A 34 11.856 13.450 21.061 1.00 22.65 C ATOM 266 OD1 ASN A 34 10.887 12.973 21.673 1.00 22.08 O ATOM 267 ND2 ASN A 34 12.624 14.432 21.538 1.00 19.51 N ATOM 0 H ASN A 34 14.316 11.709 20.492 1.00 14.12 H new ATOM 0 HA ASN A 34 11.843 10.934 20.295 1.00 12.29 H new ATOM 0 HB2 ASN A 34 13.036 13.359 19.407 1.00 16.05 H new ATOM 0 HB3 ASN A 34 11.534 13.086 19.086 1.00 16.05 H new ATOM 0 HD21 ASN A 34 12.459 14.770 22.311 1.00 19.51 H new ATOM 0 HD22 ASN A 34 13.284 14.726 21.072 1.00 19.51 H new ATOM 268 N THR A 35 13.350 10.268 17.700 1.00 13.20 N ATOM 269 CA THR A 35 13.138 9.713 16.372 1.00 15.30 C ATOM 270 C THR A 35 13.241 8.238 16.198 1.00 15.43 C ATOM 271 O THR A 35 12.845 7.645 15.190 1.00 23.05 O ATOM 272 CB THR A 35 14.172 10.404 15.428 1.00 21.87 C ATOM 273 OG1 THR A 35 15.451 10.107 15.939 1.00 16.13 O ATOM 274 CG2 THR A 35 13.934 11.935 15.354 1.00 9.17 C ATOM 0 H THR A 35 14.158 10.237 17.993 1.00 13.20 H new ATOM 0 HA THR A 35 12.206 9.890 16.169 1.00 15.30 H new ATOM 0 HB THR A 35 14.081 10.075 14.520 1.00 21.87 H new ATOM 0 HG1 THR A 35 15.640 10.647 16.554 1.00 16.13 H new ATOM 0 HG21 THR A 35 14.589 12.336 14.762 1.00 9.17 H new ATOM 0 HG22 THR A 35 13.042 12.108 15.013 1.00 9.17 H new ATOM 0 HG23 THR A 35 14.021 12.319 16.240 1.00 9.17 H new ATOM 275 N LEU A 36 13.799 7.601 17.167 1.00 19.63 N ATOM 276 CA LEU A 36 13.946 6.206 17.072 1.00 18.90 C ATOM 277 C LEU A 36 12.650 5.464 16.849 1.00 17.39 C ATOM 278 O LEU A 36 11.615 5.822 17.421 1.00 19.77 O ATOM 279 CB LEU A 36 14.565 5.788 18.367 1.00 21.26 C ATOM 280 CG LEU A 36 15.529 4.650 18.284 1.00 33.84 C ATOM 281 CD1 LEU A 36 16.410 4.714 17.030 1.00 34.44 C ATOM 282 CD2 LEU A 36 16.360 4.772 19.546 1.00 29.88 C ATOM 0 H LEU A 36 14.100 7.959 17.889 1.00 19.63 H new ATOM 0 HA LEU A 36 14.487 5.988 16.297 1.00 18.90 H new ATOM 0 HB2 LEU A 36 15.024 6.552 18.749 1.00 21.26 H new ATOM 0 HB3 LEU A 36 13.856 5.546 18.983 1.00 21.26 H new ATOM 0 HG LEU A 36 15.069 3.798 18.216 1.00 33.84 H new ATOM 0 HD11 LEU A 36 17.017 3.957 17.021 1.00 34.44 H new ATOM 0 HD12 LEU A 36 15.849 4.688 16.239 1.00 34.44 H new ATOM 0 HD13 LEU A 36 16.922 5.538 17.036 1.00 34.44 H new ATOM 0 HD21 LEU A 36 17.019 4.061 19.570 1.00 29.88 H new ATOM 0 HD22 LEU A 36 16.811 5.631 19.555 1.00 29.88 H new ATOM 0 HD23 LEU A 36 15.782 4.703 20.322 1.00 29.88 H new ATOM 283 N ASP A 37 12.807 4.461 15.989 1.00 12.71 N ATOM 284 CA ASP A 37 11.803 3.506 15.521 1.00 10.12 C ATOM 285 C ASP A 37 10.684 4.181 14.827 1.00 12.39 C ATOM 286 O ASP A 37 9.531 3.678 14.802 1.00 22.56 O ATOM 287 CB ASP A 37 11.252 2.614 16.610 1.00 17.76 C ATOM 288 CG ASP A 37 12.295 1.899 17.418 1.00 18.07 C ATOM 289 OD1 ASP A 37 13.088 1.056 17.027 1.00 30.62 O ATOM 290 OD2 ASP A 37 12.223 2.332 18.628 1.00 33.91 O ATOM 0 H ASP A 37 13.574 4.308 15.632 1.00 12.71 H new ATOM 0 HA ASP A 37 12.279 2.938 14.895 1.00 10.12 H new ATOM 0 HB2 ASP A 37 10.708 3.151 17.208 1.00 17.76 H new ATOM 0 HB3 ASP A 37 10.665 1.956 16.207 1.00 17.76 H new ATOM 291 N LYS A 38 10.970 5.333 14.261 1.00 7.28 N ATOM 292 CA LYS A 38 9.947 6.063 13.523 1.00 13.80 C ATOM 293 C LYS A 38 10.583 6.325 12.127 1.00 20.52 C ATOM 294 O LYS A 38 11.803 6.231 12.031 1.00 22.13 O ATOM 295 CB LYS A 38 9.594 7.452 14.096 1.00 18.69 C ATOM 296 CG LYS A 38 8.972 7.401 15.457 1.00 11.93 C ATOM 297 CD LYS A 38 8.999 8.710 16.187 1.00 15.52 C ATOM 298 CE LYS A 38 8.267 8.653 17.537 1.00 19.25 C ATOM 299 NZ LYS A 38 8.467 9.889 18.347 1.00 17.02 N ATOM 0 H LYS A 38 11.741 5.713 14.288 1.00 7.28 H new ATOM 0 HA LYS A 38 9.131 5.538 13.541 1.00 13.80 H new ATOM 0 HB2 LYS A 38 10.400 7.990 14.137 1.00 18.69 H new ATOM 0 HB3 LYS A 38 8.985 7.899 13.487 1.00 18.69 H new ATOM 0 HG2 LYS A 38 8.051 7.108 15.371 1.00 11.93 H new ATOM 0 HG3 LYS A 38 9.434 6.734 15.989 1.00 11.93 H new ATOM 0 HD2 LYS A 38 9.920 8.975 16.334 1.00 15.52 H new ATOM 0 HD3 LYS A 38 8.593 9.394 15.632 1.00 15.52 H new ATOM 0 HE2 LYS A 38 7.319 8.521 17.382 1.00 19.25 H new ATOM 0 HE3 LYS A 38 8.582 7.886 18.040 1.00 19.25 H new ATOM 0 HZ1 LYS A 38 8.446 9.683 19.213 1.00 17.02 H new ATOM 0 HZ2 LYS A 38 9.255 10.251 18.147 1.00 17.02 H new ATOM 0 HZ3 LYS A 38 7.819 10.471 18.165 1.00 17.02 H new ATOM 300 N PRO A 39 9.808 6.627 11.065 1.00 24.93 N ATOM 301 CA PRO A 39 10.469 6.894 9.788 1.00 19.74 C ATOM 302 C PRO A 39 10.802 8.386 9.825 1.00 23.80 C ATOM 303 O PRO A 39 10.064 9.214 10.401 1.00 20.71 O ATOM 304 CB PRO A 39 9.487 6.619 8.687 1.00 14.38 C ATOM 305 CG PRO A 39 8.126 6.639 9.340 1.00 24.16 C ATOM 306 CD PRO A 39 8.352 6.333 10.811 1.00 21.13 C ATOM 0 HA PRO A 39 11.260 6.351 9.642 1.00 19.74 H new ATOM 0 HB2 PRO A 39 9.549 7.290 7.989 1.00 14.38 H new ATOM 0 HB3 PRO A 39 9.661 5.760 8.271 1.00 14.38 H new ATOM 0 HG2 PRO A 39 7.702 7.504 9.228 1.00 24.16 H new ATOM 0 HG3 PRO A 39 7.539 5.981 8.936 1.00 24.16 H new ATOM 0 HD2 PRO A 39 7.782 6.881 11.373 1.00 21.13 H new ATOM 0 HD3 PRO A 39 8.143 5.407 11.011 1.00 21.13 H new ATOM 307 N VAL A 40 11.956 8.725 9.208 1.00 17.45 N ATOM 308 CA VAL A 40 12.454 10.078 9.118 1.00 14.06 C ATOM 309 C VAL A 40 12.631 10.394 7.645 1.00 21.60 C ATOM 310 O VAL A 40 13.157 9.559 6.866 1.00 18.90 O ATOM 311 CB VAL A 40 13.804 10.241 9.833 1.00 12.72 C ATOM 312 CG1 VAL A 40 13.749 9.678 11.260 1.00 18.47 C ATOM 313 CG2 VAL A 40 14.850 9.422 9.086 1.00 16.98 C ATOM 0 H VAL A 40 12.468 8.148 8.828 1.00 17.45 H new ATOM 0 HA VAL A 40 11.825 10.679 9.547 1.00 14.06 H new ATOM 0 HB VAL A 40 14.018 11.187 9.857 1.00 12.72 H new ATOM 0 HG11 VAL A 40 14.612 9.794 11.687 1.00 18.47 H new ATOM 0 HG12 VAL A 40 13.071 10.150 11.768 1.00 18.47 H new ATOM 0 HG13 VAL A 40 13.529 8.734 11.227 1.00 18.47 H new ATOM 0 HG21 VAL A 40 15.709 9.515 9.526 1.00 16.98 H new ATOM 0 HG22 VAL A 40 14.588 8.488 9.083 1.00 16.98 H new ATOM 0 HG23 VAL A 40 14.919 9.741 8.173 1.00 16.98 H new ATOM 314 N ILE A 41 12.142 11.582 7.345 1.00 15.84 N ATOM 315 CA ILE A 41 12.161 12.230 6.054 1.00 13.81 C ATOM 316 C ILE A 41 13.117 13.367 6.075 1.00 6.79 C ATOM 317 O ILE A 41 13.151 14.299 6.883 1.00 12.40 O ATOM 318 CB ILE A 41 10.833 12.712 5.508 1.00 11.17 C ATOM 319 CG1 ILE A 41 9.864 11.526 5.435 1.00 10.57 C ATOM 320 CG2 ILE A 41 10.908 13.588 4.217 1.00 13.30 C ATOM 321 CD1 ILE A 41 8.480 12.139 5.430 1.00 13.55 C ATOM 0 H ILE A 41 11.759 12.069 7.942 1.00 15.84 H new ATOM 0 HA ILE A 41 12.435 11.525 5.446 1.00 13.81 H new ATOM 0 HB ILE A 41 10.476 13.360 6.135 1.00 11.17 H new ATOM 0 HG12 ILE A 41 10.016 10.999 4.635 1.00 10.57 H new ATOM 0 HG13 ILE A 41 9.981 10.932 6.193 1.00 10.57 H new ATOM 0 HG21 ILE A 41 10.012 13.845 3.948 1.00 13.30 H new ATOM 0 HG22 ILE A 41 11.433 14.384 4.396 1.00 13.30 H new ATOM 0 HG23 ILE A 41 11.326 13.079 3.504 1.00 13.30 H new ATOM 0 HD11 ILE A 41 7.814 11.435 5.385 1.00 13.55 H new ATOM 0 HD12 ILE A 41 8.351 12.654 6.242 1.00 13.55 H new ATOM 0 HD13 ILE A 41 8.387 12.722 4.660 1.00 13.55 H new ATOM 322 N MET A 42 14.022 13.300 5.016 1.00 11.41 N ATOM 323 CA MET A 42 15.003 14.367 4.916 1.00 10.71 C ATOM 324 C MET A 42 15.350 14.677 3.452 1.00 14.01 C ATOM 325 O MET A 42 15.108 13.820 2.590 1.00 14.46 O ATOM 326 CB MET A 42 16.293 13.902 5.614 1.00 9.05 C ATOM 327 CG MET A 42 17.080 12.836 4.833 1.00 16.56 C ATOM 328 SD MET A 42 18.426 12.082 5.809 1.00 19.17 S ATOM 329 CE MET A 42 17.572 10.697 6.496 1.00 11.54 C ATOM 0 H MET A 42 14.057 12.687 4.414 1.00 11.41 H new ATOM 0 HA MET A 42 14.632 15.163 5.327 1.00 10.71 H new ATOM 0 HB2 MET A 42 16.866 14.671 5.760 1.00 9.05 H new ATOM 0 HB3 MET A 42 16.067 13.547 6.488 1.00 9.05 H new ATOM 0 HG2 MET A 42 16.470 12.140 4.542 1.00 16.56 H new ATOM 0 HG3 MET A 42 17.454 13.239 4.034 1.00 16.56 H new ATOM 0 HE1 MET A 42 18.175 10.196 7.068 1.00 11.54 H new ATOM 0 HE2 MET A 42 16.816 11.009 7.018 1.00 11.54 H new ATOM 0 HE3 MET A 42 17.255 10.124 5.780 1.00 11.54 H new ATOM 330 N GLY A 43 15.895 15.871 3.259 1.00 13.35 N ATOM 331 CA GLY A 43 16.353 16.398 1.966 1.00 14.21 C ATOM 332 C GLY A 43 17.714 15.781 1.591 1.00 16.37 C ATOM 333 O GLY A 43 18.485 15.283 2.453 1.00 8.80 O ATOM 0 H GLY A 43 16.016 16.426 3.904 1.00 13.35 H new ATOM 0 HA2 GLY A 43 15.699 16.198 1.278 1.00 14.21 H new ATOM 0 HA3 GLY A 43 16.430 17.364 2.012 1.00 14.21 H new ATOM 334 N ARG A 44 18.023 15.800 0.274 1.00 12.14 N ATOM 335 CA ARG A 44 19.319 15.186 -0.158 1.00 13.41 C ATOM 336 C ARG A 44 20.516 15.879 0.558 1.00 12.13 C ATOM 337 O ARG A 44 21.493 15.245 0.981 1.00 18.24 O ATOM 338 CB ARG A 44 19.472 15.338 -1.651 1.00 18.34 C ATOM 339 CG ARG A 44 20.470 14.331 -2.191 1.00 23.49 C ATOM 340 CD ARG A 44 21.625 15.004 -2.889 1.00 21.94 C ATOM 341 NE ARG A 44 21.280 16.134 -3.721 1.00 25.19 N ATOM 342 CZ ARG A 44 22.140 17.117 -3.968 1.00 32.56 C ATOM 343 NH1 ARG A 44 23.402 17.139 -3.447 1.00 32.21 N ATOM 344 NH2 ARG A 44 21.703 18.117 -4.748 1.00 31.48 N ATOM 0 H ARG A 44 17.538 16.137 -0.351 1.00 12.14 H new ATOM 0 HA ARG A 44 19.314 14.246 0.080 1.00 13.41 H new ATOM 0 HB2 ARG A 44 18.613 15.213 -2.084 1.00 18.34 H new ATOM 0 HB3 ARG A 44 19.767 16.238 -1.861 1.00 18.34 H new ATOM 0 HG2 ARG A 44 20.806 13.786 -1.462 1.00 23.49 H new ATOM 0 HG3 ARG A 44 20.023 13.733 -2.810 1.00 23.49 H new ATOM 0 HD2 ARG A 44 22.260 15.299 -2.218 1.00 21.94 H new ATOM 0 HD3 ARG A 44 22.078 14.345 -3.438 1.00 21.94 H new ATOM 0 HE ARG A 44 20.494 16.172 -4.067 1.00 25.19 H new ATOM 0 HH11 ARG A 44 23.668 16.500 -2.937 1.00 32.21 H new ATOM 0 HH12 ARG A 44 23.931 17.792 -3.629 1.00 32.21 H new ATOM 0 HH21 ARG A 44 20.902 18.100 -5.061 1.00 31.48 H new ATOM 0 HH22 ARG A 44 22.224 18.775 -4.936 1.00 31.48 H new ATOM 345 N HIS A 45 20.416 17.152 0.716 1.00 9.12 N ATOM 346 CA HIS A 45 21.496 17.829 1.404 1.00 16.01 C ATOM 347 C HIS A 45 21.714 17.321 2.851 1.00 19.98 C ATOM 348 O HIS A 45 22.826 17.119 3.278 1.00 21.11 O ATOM 349 CB HIS A 45 21.370 19.370 1.455 1.00 21.80 C ATOM 350 CG HIS A 45 21.313 20.087 0.151 1.00 28.00 C ATOM 351 ND1 HIS A 45 21.800 19.492 -1.015 1.00 30.95 N ATOM 352 CD2 HIS A 45 20.858 21.347 -0.167 1.00 33.60 C ATOM 353 CE1 HIS A 45 21.626 20.364 -2.011 1.00 31.78 C ATOM 354 NE2 HIS A 45 21.072 21.490 -1.539 1.00 39.21 N ATOM 0 H HIS A 45 19.764 17.645 0.450 1.00 9.12 H new ATOM 0 HA HIS A 45 22.263 17.605 0.854 1.00 16.01 H new ATOM 0 HB2 HIS A 45 20.569 19.591 1.956 1.00 21.80 H new ATOM 0 HB3 HIS A 45 22.123 19.718 1.958 1.00 21.80 H new ATOM 0 HD2 HIS A 45 20.486 21.973 0.412 1.00 33.60 H new ATOM 0 HE1 HIS A 45 21.855 20.213 -2.900 1.00 31.78 H new ATOM 0 HE2 HIS A 45 20.880 22.187 -2.005 1.00 39.21 H new ATOM 355 N THR A 46 20.658 17.132 3.613 1.00 20.33 N ATOM 356 CA THR A 46 20.830 16.678 4.964 1.00 14.41 C ATOM 357 C THR A 46 21.432 15.303 4.994 1.00 20.17 C ATOM 358 O THR A 46 22.264 14.935 5.814 1.00 18.37 O ATOM 359 CB THR A 46 19.437 16.750 5.650 1.00 10.34 C ATOM 360 OG1 THR A 46 19.267 18.101 5.992 1.00 12.50 O ATOM 361 CG2 THR A 46 19.411 15.940 6.923 1.00 14.03 C ATOM 0 H THR A 46 19.844 17.260 3.368 1.00 20.33 H new ATOM 0 HA THR A 46 21.454 17.239 5.451 1.00 14.41 H new ATOM 0 HB THR A 46 18.747 16.405 5.062 1.00 10.34 H new ATOM 0 HG1 THR A 46 19.005 18.530 5.319 1.00 12.50 H new ATOM 0 HG21 THR A 46 18.532 16.003 7.329 1.00 14.03 H new ATOM 0 HG22 THR A 46 19.608 15.012 6.720 1.00 14.03 H new ATOM 0 HG23 THR A 46 20.077 16.284 7.539 1.00 14.03 H new ATOM 362 N TRP A 47 21.003 14.494 4.056 1.00 19.01 N ATOM 363 CA TRP A 47 21.510 13.157 3.999 1.00 20.96 C ATOM 364 C TRP A 47 23.022 13.135 3.769 1.00 20.90 C ATOM 365 O TRP A 47 23.726 12.361 4.409 1.00 17.56 O ATOM 366 CB TRP A 47 20.796 12.418 2.868 1.00 13.89 C ATOM 367 CG TRP A 47 21.537 11.254 2.345 1.00 18.97 C ATOM 368 CD1 TRP A 47 22.222 11.205 1.173 1.00 22.17 C ATOM 369 CD2 TRP A 47 21.655 9.963 2.948 1.00 17.66 C ATOM 370 NE1 TRP A 47 22.775 9.950 1.021 1.00 19.00 N ATOM 371 CE2 TRP A 47 22.460 9.158 2.093 1.00 23.96 C ATOM 372 CE3 TRP A 47 21.188 9.410 4.142 1.00 13.23 C ATOM 373 CZ2 TRP A 47 22.789 7.814 2.396 1.00 23.15 C ATOM 374 CZ3 TRP A 47 21.499 8.087 4.429 1.00 20.04 C ATOM 375 CH2 TRP A 47 22.295 7.288 3.593 1.00 26.76 C ATOM 0 H TRP A 47 20.426 14.698 3.452 1.00 19.01 H new ATOM 0 HA TRP A 47 21.343 12.721 4.849 1.00 20.96 H new ATOM 0 HB2 TRP A 47 19.929 12.121 3.186 1.00 13.89 H new ATOM 0 HB3 TRP A 47 20.634 13.039 2.141 1.00 13.89 H new ATOM 0 HD1 TRP A 47 22.305 11.907 0.568 1.00 22.17 H new ATOM 0 HE1 TRP A 47 23.250 9.701 0.349 1.00 19.00 H new ATOM 0 HE3 TRP A 47 20.679 9.917 4.733 1.00 13.23 H new ATOM 0 HZ2 TRP A 47 23.312 7.303 1.822 1.00 23.15 H new ATOM 0 HZ3 TRP A 47 21.164 7.713 5.212 1.00 20.04 H new ATOM 0 HH2 TRP A 47 22.493 6.412 3.835 1.00 26.76 H new ATOM 376 N GLU A 48 23.492 13.988 2.866 1.00 13.06 N ATOM 377 CA GLU A 48 24.895 13.952 2.660 1.00 20.82 C ATOM 378 C GLU A 48 25.589 14.422 3.870 1.00 23.47 C ATOM 379 O GLU A 48 26.612 13.900 4.239 1.00 28.44 O ATOM 380 CB GLU A 48 25.277 14.853 1.512 1.00 24.12 C ATOM 381 CG GLU A 48 24.874 14.134 0.238 1.00 29.81 C ATOM 382 CD GLU A 48 25.039 14.987 -0.977 1.00 42.49 C ATOM 383 OE1 GLU A 48 25.475 16.205 -0.713 1.00 49.01 O ATOM 384 OE2 GLU A 48 24.785 14.579 -2.094 1.00 42.99 O ATOM 0 H GLU A 48 23.039 14.552 2.400 1.00 13.06 H new ATOM 0 HA GLU A 48 25.151 13.038 2.460 1.00 20.82 H new ATOM 0 HB2 GLU A 48 24.826 15.709 1.581 1.00 24.12 H new ATOM 0 HB3 GLU A 48 26.230 15.033 1.519 1.00 24.12 H new ATOM 0 HG2 GLU A 48 25.409 13.331 0.141 1.00 29.81 H new ATOM 0 HG3 GLU A 48 23.949 13.852 0.308 1.00 29.81 H new ATOM 385 N SER A 49 25.074 15.421 4.512 1.00 20.06 N ATOM 386 CA SER A 49 25.808 15.804 5.649 1.00 19.46 C ATOM 387 C SER A 49 25.770 14.766 6.754 1.00 25.45 C ATOM 388 O SER A 49 26.671 14.728 7.549 1.00 30.45 O ATOM 389 CB SER A 49 25.658 17.232 6.081 1.00 34.49 C ATOM 390 OG SER A 49 24.555 17.323 6.905 1.00 31.07 O ATOM 0 H SER A 49 24.358 15.859 4.324 1.00 20.06 H new ATOM 0 HA SER A 49 26.731 15.810 5.352 1.00 19.46 H new ATOM 0 HB2 SER A 49 26.454 17.529 6.549 1.00 34.49 H new ATOM 0 HB3 SER A 49 25.551 17.809 5.309 1.00 34.49 H new ATOM 0 HG SER A 49 24.458 18.118 7.157 1.00 31.07 H new ATOM 391 N ILE A 50 24.768 13.895 6.829 1.00 24.76 N ATOM 392 CA ILE A 50 24.726 12.879 7.908 1.00 28.03 C ATOM 393 C ILE A 50 25.715 11.785 7.579 1.00 37.83 C ATOM 394 O ILE A 50 26.505 11.324 8.421 1.00 44.97 O ATOM 395 CB ILE A 50 23.341 12.324 8.179 1.00 27.51 C ATOM 396 CG1 ILE A 50 22.358 13.430 8.544 1.00 25.59 C ATOM 397 CG2 ILE A 50 23.294 11.091 9.113 1.00 23.66 C ATOM 398 CD1 ILE A 50 20.978 12.836 8.782 1.00 20.04 C ATOM 0 H ILE A 50 24.107 13.866 6.279 1.00 24.76 H new ATOM 0 HA ILE A 50 24.975 13.317 8.737 1.00 28.03 H new ATOM 0 HB ILE A 50 23.039 11.950 7.336 1.00 27.51 H new ATOM 0 HG12 ILE A 50 22.661 13.894 9.340 1.00 25.59 H new ATOM 0 HG13 ILE A 50 22.318 14.087 7.831 1.00 25.59 H new ATOM 0 HG21 ILE A 50 22.374 10.807 9.228 1.00 23.66 H new ATOM 0 HG22 ILE A 50 23.808 10.368 8.721 1.00 23.66 H new ATOM 0 HG23 ILE A 50 23.671 11.324 9.976 1.00 23.66 H new ATOM 0 HD11 ILE A 50 20.356 13.544 9.014 1.00 20.04 H new ATOM 0 HD12 ILE A 50 20.674 12.390 7.976 1.00 20.04 H new ATOM 0 HD13 ILE A 50 21.022 12.195 9.508 1.00 20.04 H new ATOM 399 N GLY A 51 25.692 11.355 6.335 1.00 29.56 N ATOM 400 CA GLY A 51 26.657 10.358 5.997 1.00 24.93 C ATOM 401 C GLY A 51 26.346 8.926 5.928 1.00 32.90 C ATOM 402 O GLY A 51 26.930 8.268 5.085 1.00 38.98 O ATOM 0 H GLY A 51 25.159 11.612 5.711 1.00 29.56 H new ATOM 0 HA2 GLY A 51 27.012 10.603 5.128 1.00 24.93 H new ATOM 0 HA3 GLY A 51 27.381 10.450 6.635 1.00 24.93 H new ATOM 403 N ARG A 52 25.484 8.429 6.759 1.00 24.59 N ATOM 404 CA ARG A 52 25.179 7.026 6.717 1.00 26.72 C ATOM 405 C ARG A 52 23.748 6.979 7.117 1.00 28.97 C ATOM 406 O ARG A 52 23.273 7.996 7.579 1.00 24.12 O ATOM 407 CB ARG A 52 25.922 6.339 7.849 1.00 31.78 C ATOM 408 CG ARG A 52 26.020 7.277 9.066 1.00 36.43 C ATOM 409 CD ARG A 52 26.207 6.534 10.389 1.00 50.85 C ATOM 410 NE ARG A 52 25.788 7.323 11.566 1.00 68.48 N ATOM 411 CZ ARG A 52 25.503 6.834 12.807 1.00 76.38 C ATOM 412 NH1 ARG A 52 25.568 5.525 13.114 1.00 77.41 N ATOM 413 NH2 ARG A 52 25.135 7.687 13.780 1.00 77.04 N ATOM 0 H ARG A 52 25.061 8.879 7.357 1.00 24.59 H new ATOM 0 HA ARG A 52 25.393 6.622 5.861 1.00 26.72 H new ATOM 0 HB2 ARG A 52 25.462 5.522 8.098 1.00 31.78 H new ATOM 0 HB3 ARG A 52 26.811 6.086 7.555 1.00 31.78 H new ATOM 0 HG2 ARG A 52 26.763 7.887 8.937 1.00 36.43 H new ATOM 0 HG3 ARG A 52 25.215 7.816 9.116 1.00 36.43 H new ATOM 0 HD2 ARG A 52 25.699 5.708 10.364 1.00 50.85 H new ATOM 0 HD3 ARG A 52 27.141 6.290 10.487 1.00 50.85 H new ATOM 0 HE ARG A 52 25.717 8.173 11.458 1.00 68.48 H new ATOM 0 HH11 ARG A 52 25.798 4.954 12.514 1.00 77.41 H new ATOM 0 HH12 ARG A 52 25.380 5.260 13.910 1.00 77.41 H new ATOM 0 HH21 ARG A 52 25.082 8.529 13.616 1.00 77.04 H new ATOM 0 HH22 ARG A 52 24.953 7.390 14.566 1.00 77.04 H new ATOM 414 N PRO A 53 23.093 5.869 6.995 1.00 25.18 N ATOM 415 CA PRO A 53 21.696 5.810 7.397 1.00 21.07 C ATOM 416 C PRO A 53 21.499 5.884 8.905 1.00 20.27 C ATOM 417 O PRO A 53 22.246 5.263 9.644 1.00 24.18 O ATOM 418 CB PRO A 53 21.204 4.456 6.915 1.00 21.33 C ATOM 419 CG PRO A 53 22.300 3.864 6.048 1.00 20.83 C ATOM 420 CD PRO A 53 23.551 4.712 6.201 1.00 26.40 C ATOM 0 HA PRO A 53 21.218 6.566 7.023 1.00 21.07 H new ATOM 0 HB2 PRO A 53 21.010 3.874 7.667 1.00 21.33 H new ATOM 0 HB3 PRO A 53 20.381 4.550 6.410 1.00 21.33 H new ATOM 0 HG2 PRO A 53 22.480 2.948 6.312 1.00 20.83 H new ATOM 0 HG3 PRO A 53 22.020 3.842 5.120 1.00 20.83 H new ATOM 0 HD2 PRO A 53 24.258 4.226 6.654 1.00 26.40 H new ATOM 0 HD3 PRO A 53 23.903 4.987 5.340 1.00 26.40 H new ATOM 421 N LEU A 54 20.501 6.607 9.387 1.00 16.68 N ATOM 422 CA LEU A 54 20.358 6.615 10.835 1.00 19.32 C ATOM 423 C LEU A 54 19.870 5.234 11.222 1.00 25.67 C ATOM 424 O LEU A 54 18.937 4.723 10.613 1.00 25.72 O ATOM 425 CB LEU A 54 19.301 7.606 11.224 1.00 16.73 C ATOM 426 CG LEU A 54 19.724 8.985 10.917 1.00 23.80 C ATOM 427 CD1 LEU A 54 18.512 9.837 11.187 1.00 30.39 C ATOM 428 CD2 LEU A 54 20.912 9.387 11.806 1.00 24.19 C ATOM 0 H LEU A 54 19.933 7.069 8.935 1.00 16.68 H new ATOM 0 HA LEU A 54 21.195 6.846 11.268 1.00 19.32 H new ATOM 0 HB2 LEU A 54 18.477 7.405 10.753 1.00 16.73 H new ATOM 0 HB3 LEU A 54 19.113 7.526 12.172 1.00 16.73 H new ATOM 0 HG LEU A 54 20.026 9.087 10.001 1.00 23.80 H new ATOM 0 HD11 LEU A 54 18.722 10.766 11.004 1.00 30.39 H new ATOM 0 HD12 LEU A 54 17.782 9.552 10.615 1.00 30.39 H new ATOM 0 HD13 LEU A 54 18.250 9.743 12.116 1.00 30.39 H new ATOM 0 HD21 LEU A 54 21.181 10.295 11.595 1.00 24.19 H new ATOM 0 HD22 LEU A 54 20.650 9.336 12.739 1.00 24.19 H new ATOM 0 HD23 LEU A 54 21.655 8.784 11.646 1.00 24.19 H new ATOM 429 N PRO A 55 20.502 4.590 12.195 1.00 22.67 N ATOM 430 CA PRO A 55 20.134 3.247 12.660 1.00 16.89 C ATOM 431 C PRO A 55 18.808 3.238 13.425 1.00 19.75 C ATOM 432 O PRO A 55 18.483 4.235 14.068 1.00 25.39 O ATOM 433 CB PRO A 55 21.233 2.844 13.620 1.00 19.12 C ATOM 434 CG PRO A 55 22.027 4.115 13.911 1.00 27.23 C ATOM 435 CD PRO A 55 21.640 5.184 12.902 1.00 22.80 C ATOM 0 HA PRO A 55 20.032 2.651 11.902 1.00 16.89 H new ATOM 0 HB2 PRO A 55 20.862 2.472 14.436 1.00 19.12 H new ATOM 0 HB3 PRO A 55 21.801 2.162 13.230 1.00 19.12 H new ATOM 0 HG2 PRO A 55 21.846 4.424 14.812 1.00 27.23 H new ATOM 0 HG3 PRO A 55 22.979 3.935 13.859 1.00 27.23 H new ATOM 0 HD2 PRO A 55 21.395 6.015 13.338 1.00 22.80 H new ATOM 0 HD3 PRO A 55 22.371 5.386 12.297 1.00 22.80 H new ATOM 436 N GLY A 56 18.066 2.128 13.323 1.00 16.00 N ATOM 437 CA GLY A 56 16.814 1.959 14.006 1.00 21.06 C ATOM 438 C GLY A 56 15.700 2.857 13.550 1.00 25.59 C ATOM 439 O GLY A 56 14.730 3.059 14.299 1.00 30.97 O ATOM 0 H GLY A 56 18.294 1.451 12.844 1.00 16.00 H new ATOM 0 HA2 GLY A 56 16.529 1.038 13.902 1.00 21.06 H new ATOM 0 HA3 GLY A 56 16.959 2.105 14.954 1.00 21.06 H new ATOM 440 N ARG A 57 15.847 3.383 12.329 1.00 22.29 N ATOM 441 CA ARG A 57 14.847 4.278 11.713 1.00 16.51 C ATOM 442 C ARG A 57 14.700 4.006 10.235 1.00 29.41 C ATOM 443 O ARG A 57 15.622 3.596 9.610 1.00 22.78 O ATOM 444 CB ARG A 57 15.147 5.740 11.838 1.00 20.77 C ATOM 445 CG ARG A 57 14.975 6.201 13.268 1.00 21.33 C ATOM 446 CD ARG A 57 15.944 7.272 13.739 1.00 17.81 C ATOM 447 NE ARG A 57 17.165 6.635 14.129 1.00 25.02 N ATOM 448 CZ ARG A 57 18.143 7.352 14.648 1.00 21.72 C ATOM 449 NH1 ARG A 57 17.965 8.643 14.819 1.00 15.87 N ATOM 450 NH2 ARG A 57 19.298 6.761 15.003 1.00 19.12 N ATOM 0 H ARG A 57 16.531 3.232 11.830 1.00 22.29 H new ATOM 0 HA ARG A 57 14.037 4.081 12.209 1.00 16.51 H new ATOM 0 HB2 ARG A 57 16.055 5.915 11.544 1.00 20.77 H new ATOM 0 HB3 ARG A 57 14.558 6.247 11.257 1.00 20.77 H new ATOM 0 HG2 ARG A 57 14.071 6.537 13.375 1.00 21.33 H new ATOM 0 HG3 ARG A 57 15.062 5.431 13.851 1.00 21.33 H new ATOM 0 HD2 ARG A 57 16.109 7.913 13.030 1.00 17.81 H new ATOM 0 HD3 ARG A 57 15.567 7.764 14.485 1.00 17.81 H new ATOM 0 HE ARG A 57 17.261 5.787 14.025 1.00 25.02 H new ATOM 0 HH11 ARG A 57 17.220 9.008 14.594 1.00 15.87 H new ATOM 0 HH12 ARG A 57 18.594 9.123 15.156 1.00 15.87 H new ATOM 0 HH21 ARG A 57 19.400 5.914 14.892 1.00 19.12 H new ATOM 0 HH22 ARG A 57 19.935 7.230 15.341 1.00 19.12 H new ATOM 451 N LYS A 58 13.529 4.257 9.669 1.00 35.12 N ATOM 452 CA LYS A 58 13.300 4.064 8.243 1.00 26.99 C ATOM 453 C LYS A 58 13.751 5.381 7.604 1.00 14.07 C ATOM 454 O LYS A 58 13.164 6.406 7.864 1.00 20.33 O ATOM 455 CB LYS A 58 11.812 3.722 8.002 1.00 32.05 C ATOM 456 CG LYS A 58 11.562 3.113 6.633 1.00 40.44 C ATOM 457 CD LYS A 58 10.087 2.826 6.353 1.00 53.87 C ATOM 458 CE LYS A 58 9.653 3.105 4.900 1.00 62.58 C ATOM 459 NZ LYS A 58 10.697 2.913 3.861 1.00 55.66 N ATOM 0 H LYS A 58 12.843 4.545 10.100 1.00 35.12 H new ATOM 0 HA LYS A 58 13.791 3.324 7.854 1.00 26.99 H new ATOM 0 HB2 LYS A 58 11.512 3.103 8.686 1.00 32.05 H new ATOM 0 HB3 LYS A 58 11.280 4.528 8.095 1.00 32.05 H new ATOM 0 HG2 LYS A 58 11.902 3.715 5.952 1.00 40.44 H new ATOM 0 HG3 LYS A 58 12.065 2.287 6.558 1.00 40.44 H new ATOM 0 HD2 LYS A 58 9.904 1.897 6.562 1.00 53.87 H new ATOM 0 HD3 LYS A 58 9.544 3.364 6.951 1.00 53.87 H new ATOM 0 HE2 LYS A 58 8.902 2.529 4.689 1.00 62.58 H new ATOM 0 HE3 LYS A 58 9.333 4.019 4.847 1.00 62.58 H new ATOM 0 HZ1 LYS A 58 10.309 2.780 3.071 1.00 55.66 H new ATOM 0 HZ2 LYS A 58 11.212 3.638 3.820 1.00 55.66 H new ATOM 0 HZ3 LYS A 58 11.196 2.206 4.069 1.00 55.66 H new ATOM 460 N ASN A 59 14.816 5.399 6.800 1.00 18.48 N ATOM 461 CA ASN A 59 15.345 6.630 6.179 1.00 16.39 C ATOM 462 C ASN A 59 14.748 6.891 4.799 1.00 13.78 C ATOM 463 O ASN A 59 14.814 6.036 3.949 1.00 22.54 O ATOM 464 CB ASN A 59 16.914 6.534 6.131 1.00 18.30 C ATOM 465 CG ASN A 59 17.632 6.474 7.463 1.00 14.84 C ATOM 466 OD1 ASN A 59 18.526 7.297 7.827 1.00 22.65 O ATOM 467 ND2 ASN A 59 17.237 5.511 8.215 1.00 13.16 N ATOM 0 H ASN A 59 15.260 4.692 6.594 1.00 18.48 H new ATOM 0 HA ASN A 59 15.084 7.391 6.720 1.00 16.39 H new ATOM 0 HB2 ASN A 59 17.154 5.744 5.622 1.00 18.30 H new ATOM 0 HB3 ASN A 59 17.250 7.300 5.640 1.00 18.30 H new ATOM 0 HD21 ASN A 59 17.581 5.407 8.996 1.00 13.16 H new ATOM 0 HD22 ASN A 59 16.628 4.970 7.937 1.00 13.16 H new ATOM 468 N ILE A 60 14.143 8.041 4.580 1.00 16.56 N ATOM 469 CA ILE A 60 13.518 8.387 3.308 1.00 13.20 C ATOM 470 C ILE A 60 14.146 9.660 2.897 1.00 20.56 C ATOM 471 O ILE A 60 14.109 10.668 3.597 1.00 18.76 O ATOM 472 CB ILE A 60 12.042 8.532 3.365 1.00 18.63 C ATOM 473 CG1 ILE A 60 11.549 7.140 3.683 1.00 17.96 C ATOM 474 CG2 ILE A 60 11.439 9.057 2.060 1.00 15.87 C ATOM 475 CD1 ILE A 60 10.415 7.168 4.655 1.00 17.50 C ATOM 0 H ILE A 60 14.079 8.659 5.175 1.00 16.56 H new ATOM 0 HA ILE A 60 13.659 7.665 2.676 1.00 13.20 H new ATOM 0 HB ILE A 60 11.776 9.189 4.027 1.00 18.63 H new ATOM 0 HG12 ILE A 60 11.265 6.702 2.866 1.00 17.96 H new ATOM 0 HG13 ILE A 60 12.277 6.614 4.049 1.00 17.96 H new ATOM 0 HG21 ILE A 60 10.477 9.131 2.155 1.00 15.87 H new ATOM 0 HG22 ILE A 60 11.812 9.930 1.859 1.00 15.87 H new ATOM 0 HG23 ILE A 60 11.646 8.443 1.338 1.00 15.87 H new ATOM 0 HD11 ILE A 60 10.123 6.261 4.838 1.00 17.50 H new ATOM 0 HD12 ILE A 60 10.706 7.586 5.481 1.00 17.50 H new ATOM 0 HD13 ILE A 60 9.679 7.675 4.279 1.00 17.50 H new ATOM 476 N ILE A 61 14.782 9.596 1.724 1.00 15.15 N ATOM 477 CA ILE A 61 15.456 10.773 1.207 1.00 10.92 C ATOM 478 C ILE A 61 14.715 11.336 -0.002 1.00 10.44 C ATOM 479 O ILE A 61 14.363 10.560 -0.907 1.00 22.02 O ATOM 480 CB ILE A 61 16.900 10.411 0.772 1.00 16.77 C ATOM 481 CG1 ILE A 61 17.767 9.821 1.885 1.00 15.37 C ATOM 482 CG2 ILE A 61 17.656 11.664 0.388 1.00 18.30 C ATOM 483 CD1 ILE A 61 17.229 8.628 2.585 1.00 25.12 C ATOM 0 H ILE A 61 14.831 8.896 1.228 1.00 15.15 H new ATOM 0 HA ILE A 61 15.475 11.438 1.913 1.00 10.92 H new ATOM 0 HB ILE A 61 16.771 9.770 0.056 1.00 16.77 H new ATOM 0 HG12 ILE A 61 18.629 9.587 1.506 1.00 15.37 H new ATOM 0 HG13 ILE A 61 17.926 10.514 2.545 1.00 15.37 H new ATOM 0 HG21 ILE A 61 18.557 11.428 0.118 1.00 18.30 H new ATOM 0 HG22 ILE A 61 17.202 12.103 -0.348 1.00 18.30 H new ATOM 0 HG23 ILE A 61 17.694 12.265 1.148 1.00 18.30 H new ATOM 0 HD11 ILE A 61 17.857 8.341 3.266 1.00 25.12 H new ATOM 0 HD12 ILE A 61 16.382 8.851 3.001 1.00 25.12 H new ATOM 0 HD13 ILE A 61 17.096 7.910 1.946 1.00 25.12 H new ATOM 484 N LEU A 62 14.513 12.633 0.000 1.00 9.12 N ATOM 485 CA LEU A 62 13.867 13.349 -1.058 1.00 13.78 C ATOM 486 C LEU A 62 14.963 13.840 -2.088 1.00 19.55 C ATOM 487 O LEU A 62 15.918 14.483 -1.707 1.00 20.35 O ATOM 488 CB LEU A 62 13.175 14.598 -0.492 1.00 23.78 C ATOM 489 CG LEU A 62 11.693 14.477 -0.164 1.00 25.95 C ATOM 490 CD1 LEU A 62 11.460 15.671 0.728 1.00 19.92 C ATOM 491 CD2 LEU A 62 10.890 14.787 -1.421 1.00 22.58 C ATOM 0 H LEU A 62 14.761 13.140 0.649 1.00 9.12 H new ATOM 0 HA LEU A 62 13.219 12.767 -1.485 1.00 13.78 H new ATOM 0 HB2 LEU A 62 13.642 14.862 0.316 1.00 23.78 H new ATOM 0 HB3 LEU A 62 13.285 15.319 -1.131 1.00 23.78 H new ATOM 0 HG LEU A 62 11.457 13.609 0.199 1.00 25.95 H new ATOM 0 HD11 LEU A 62 10.530 15.694 1.002 1.00 19.92 H new ATOM 0 HD12 LEU A 62 12.026 15.604 1.513 1.00 19.92 H new ATOM 0 HD13 LEU A 62 11.674 16.484 0.244 1.00 19.92 H new ATOM 0 HD21 LEU A 62 9.943 14.714 -1.226 1.00 22.58 H new ATOM 0 HD22 LEU A 62 11.090 15.688 -1.719 1.00 22.58 H new ATOM 0 HD23 LEU A 62 11.126 14.157 -2.120 1.00 22.58 H new ATOM 492 N SER A 63 14.848 13.553 -3.382 1.00 30.45 N ATOM 493 CA SER A 63 15.854 14.008 -4.385 1.00 28.74 C ATOM 494 C SER A 63 15.211 14.018 -5.719 1.00 23.56 C ATOM 495 O SER A 63 14.407 13.129 -5.992 1.00 21.61 O ATOM 496 CB SER A 63 17.073 13.132 -4.585 1.00 21.69 C ATOM 497 OG SER A 63 17.939 13.880 -5.419 1.00 17.38 O ATOM 0 H SER A 63 14.200 13.096 -3.714 1.00 30.45 H new ATOM 0 HA SER A 63 16.150 14.862 -4.034 1.00 28.74 H new ATOM 0 HB2 SER A 63 17.497 12.924 -3.738 1.00 21.69 H new ATOM 0 HB3 SER A 63 16.833 12.287 -4.997 1.00 21.69 H new ATOM 0 HG SER A 63 18.211 14.558 -5.005 1.00 17.38 H new ATOM 498 N SER A 64 15.574 14.989 -6.519 1.00 20.20 N ATOM 499 CA SER A 64 14.990 15.023 -7.807 1.00 20.08 C ATOM 500 C SER A 64 15.723 13.976 -8.621 1.00 25.89 C ATOM 501 O SER A 64 15.270 13.496 -9.640 1.00 26.93 O ATOM 502 CB SER A 64 15.035 16.399 -8.437 1.00 18.24 C ATOM 503 OG SER A 64 16.372 16.746 -8.670 1.00 14.56 O ATOM 0 H SER A 64 16.137 15.613 -6.337 1.00 20.20 H new ATOM 0 HA SER A 64 14.042 14.825 -7.763 1.00 20.08 H new ATOM 0 HB2 SER A 64 14.537 16.404 -9.269 1.00 18.24 H new ATOM 0 HB3 SER A 64 14.616 17.050 -7.852 1.00 18.24 H new ATOM 0 HG SER A 64 16.710 17.049 -7.963 1.00 14.56 H new ATOM 504 N GLN A 65 16.860 13.574 -8.154 1.00 26.83 N ATOM 505 CA GLN A 65 17.578 12.598 -8.924 1.00 25.13 C ATOM 506 C GLN A 65 17.525 11.223 -8.369 1.00 29.55 C ATOM 507 O GLN A 65 17.098 11.044 -7.274 1.00 31.62 O ATOM 508 CB GLN A 65 19.055 13.013 -9.022 1.00 22.53 C ATOM 509 CG GLN A 65 19.289 14.458 -9.530 1.00 25.63 C ATOM 510 CD GLN A 65 18.716 14.749 -10.914 1.00 32.23 C ATOM 511 OE1 GLN A 65 17.782 15.595 -11.031 1.00 30.48 O ATOM 512 NE2 GLN A 65 19.177 13.980 -11.931 1.00 39.65 N ATOM 0 H GLN A 65 17.231 13.835 -7.423 1.00 26.83 H new ATOM 0 HA GLN A 65 17.143 12.574 -9.791 1.00 25.13 H new ATOM 0 HB2 GLN A 65 19.463 12.921 -8.147 1.00 22.53 H new ATOM 0 HB3 GLN A 65 19.513 12.397 -9.615 1.00 22.53 H new ATOM 0 HG2 GLN A 65 18.898 15.078 -8.895 1.00 25.63 H new ATOM 0 HG3 GLN A 65 20.243 14.632 -9.546 1.00 25.63 H new ATOM 0 HE21 GLN A 65 19.816 13.421 -11.792 1.00 39.65 H new ATOM 0 HE22 GLN A 65 18.831 14.051 -12.715 1.00 39.65 H new ATOM 513 N PRO A 66 18.001 10.285 -9.154 1.00 31.94 N ATOM 514 CA PRO A 66 18.056 8.899 -8.779 1.00 35.62 C ATOM 515 C PRO A 66 18.925 8.684 -7.566 1.00 28.15 C ATOM 516 O PRO A 66 19.975 9.340 -7.416 1.00 22.44 O ATOM 517 CB PRO A 66 18.720 8.158 -9.948 1.00 33.83 C ATOM 518 CG PRO A 66 18.507 9.055 -11.141 1.00 35.79 C ATOM 519 CD PRO A 66 18.229 10.454 -10.608 1.00 33.53 C ATOM 0 HA PRO A 66 17.160 8.586 -8.578 1.00 35.62 H new ATOM 0 HB2 PRO A 66 19.664 8.012 -9.781 1.00 33.83 H new ATOM 0 HB3 PRO A 66 18.318 7.286 -10.086 1.00 33.83 H new ATOM 0 HG2 PRO A 66 19.290 9.056 -11.713 1.00 35.79 H new ATOM 0 HG3 PRO A 66 17.764 8.739 -11.678 1.00 35.79 H new ATOM 0 HD2 PRO A 66 18.977 11.047 -10.778 1.00 33.53 H new ATOM 0 HD3 PRO A 66 17.453 10.845 -11.040 1.00 33.53 H new ATOM 520 N GLY A 67 18.467 7.736 -6.726 1.00 16.03 N ATOM 521 CA GLY A 67 19.188 7.409 -5.517 1.00 24.19 C ATOM 522 C GLY A 67 20.532 6.738 -5.731 1.00 31.91 C ATOM 523 O GLY A 67 20.713 5.886 -6.593 1.00 34.42 O ATOM 0 H GLY A 67 17.746 7.284 -6.850 1.00 16.03 H new ATOM 0 HA2 GLY A 67 19.326 8.224 -5.009 1.00 24.19 H new ATOM 0 HA3 GLY A 67 18.634 6.827 -4.974 1.00 24.19 H new ATOM 524 N THR A 68 21.500 7.124 -4.933 1.00 26.79 N ATOM 525 CA THR A 68 22.810 6.553 -5.029 1.00 27.97 C ATOM 526 C THR A 68 23.146 5.732 -3.773 1.00 33.67 C ATOM 527 O THR A 68 24.304 5.566 -3.438 1.00 40.92 O ATOM 528 CB THR A 68 23.857 7.661 -5.164 1.00 37.05 C ATOM 529 OG1 THR A 68 23.709 8.446 -3.998 1.00 41.88 O ATOM 530 CG2 THR A 68 23.612 8.524 -6.408 1.00 34.87 C ATOM 0 H THR A 68 21.414 7.723 -4.322 1.00 26.79 H new ATOM 0 HA THR A 68 22.822 5.976 -5.809 1.00 27.97 H new ATOM 0 HB THR A 68 24.748 7.291 -5.260 1.00 37.05 H new ATOM 0 HG1 THR A 68 23.370 9.188 -4.200 1.00 41.88 H new ATOM 0 HG21 THR A 68 24.292 9.214 -6.462 1.00 34.87 H new ATOM 0 HG22 THR A 68 23.653 7.967 -7.201 1.00 34.87 H new ATOM 0 HG23 THR A 68 22.736 8.937 -6.348 1.00 34.87 H new ATOM 531 N ASP A 69 22.151 5.228 -3.061 1.00 33.94 N ATOM 532 CA ASP A 69 22.377 4.442 -1.874 1.00 24.74 C ATOM 533 C ASP A 69 21.145 3.571 -1.636 1.00 23.51 C ATOM 534 O ASP A 69 20.058 4.063 -1.268 1.00 24.13 O ATOM 535 CB ASP A 69 22.798 5.295 -0.686 1.00 25.46 C ATOM 536 CG ASP A 69 23.351 4.364 0.338 1.00 24.32 C ATOM 537 OD1 ASP A 69 22.960 3.219 0.473 1.00 23.70 O ATOM 538 OD2 ASP A 69 24.363 4.864 1.006 1.00 32.23 O ATOM 0 H ASP A 69 21.321 5.336 -3.259 1.00 33.94 H new ATOM 0 HA ASP A 69 23.136 3.850 -1.999 1.00 24.74 H new ATOM 0 HB2 ASP A 69 23.463 5.949 -0.951 1.00 25.46 H new ATOM 0 HB3 ASP A 69 22.042 5.787 -0.331 1.00 25.46 H new ATOM 539 N ASP A 70 21.331 2.272 -1.920 1.00 14.09 N ATOM 540 CA ASP A 70 20.272 1.329 -1.779 1.00 15.38 C ATOM 541 C ASP A 70 19.927 1.029 -0.305 1.00 15.15 C ATOM 542 O ASP A 70 18.965 0.347 -0.091 1.00 15.68 O ATOM 543 CB ASP A 70 20.419 -0.016 -2.548 1.00 13.59 C ATOM 544 CG ASP A 70 20.321 0.150 -4.053 1.00 19.89 C ATOM 545 OD1 ASP A 70 19.954 1.173 -4.560 1.00 21.84 O ATOM 546 OD2 ASP A 70 20.709 -0.871 -4.733 1.00 19.47 O ATOM 0 H ASP A 70 22.074 1.939 -2.195 1.00 14.09 H new ATOM 0 HA ASP A 70 19.542 1.801 -2.209 1.00 15.38 H new ATOM 0 HB2 ASP A 70 21.274 -0.418 -2.327 1.00 13.59 H new ATOM 0 HB3 ASP A 70 19.731 -0.631 -2.250 1.00 13.59 H new ATOM 547 N ARG A 71 20.670 1.486 0.686 1.00 25.94 N ATOM 548 CA ARG A 71 20.292 1.175 2.069 1.00 19.91 C ATOM 549 C ARG A 71 19.086 1.976 2.593 1.00 24.40 C ATOM 550 O ARG A 71 18.479 1.575 3.569 1.00 25.62 O ATOM 551 CB ARG A 71 21.449 1.462 2.950 1.00 29.38 C ATOM 552 CG ARG A 71 22.483 0.384 2.705 1.00 32.71 C ATOM 553 CD ARG A 71 23.711 0.638 3.507 1.00 25.70 C ATOM 554 NE ARG A 71 24.266 1.923 3.170 1.00 29.50 N ATOM 555 CZ ARG A 71 25.149 2.500 3.972 1.00 36.56 C ATOM 556 NH1 ARG A 71 25.563 1.946 5.153 1.00 38.51 N ATOM 557 NH2 ARG A 71 25.607 3.669 3.570 1.00 30.05 N ATOM 0 H ARG A 71 21.378 1.965 0.594 1.00 25.94 H new ATOM 0 HA ARG A 71 20.035 0.240 2.077 1.00 19.91 H new ATOM 0 HB2 ARG A 71 21.817 2.338 2.756 1.00 29.38 H new ATOM 0 HB3 ARG A 71 21.176 1.468 3.881 1.00 29.38 H new ATOM 0 HG2 ARG A 71 22.114 -0.483 2.936 1.00 32.71 H new ATOM 0 HG3 ARG A 71 22.708 0.354 1.762 1.00 32.71 H new ATOM 0 HD2 ARG A 71 23.500 0.607 4.453 1.00 25.70 H new ATOM 0 HD3 ARG A 71 24.365 -0.059 3.339 1.00 25.70 H new ATOM 0 HE ARG A 71 24.023 2.318 2.445 1.00 29.50 H new ATOM 0 HH11 ARG A 71 25.247 1.187 5.406 1.00 38.51 H new ATOM 0 HH12 ARG A 71 26.139 2.357 5.642 1.00 38.51 H new ATOM 0 HH21 ARG A 71 25.330 4.008 2.830 1.00 30.05 H new ATOM 0 HH22 ARG A 71 26.183 4.093 4.048 1.00 30.05 H new ATOM 558 N VAL A 72 18.755 3.077 1.923 1.00 19.69 N ATOM 559 CA VAL A 72 17.687 4.005 2.233 1.00 19.85 C ATOM 560 C VAL A 72 16.688 4.126 1.078 1.00 25.66 C ATOM 561 O VAL A 72 16.943 3.630 0.010 1.00 19.90 O ATOM 562 CB VAL A 72 18.266 5.374 2.577 1.00 18.30 C ATOM 563 CG1 VAL A 72 19.339 5.170 3.600 1.00 18.77 C ATOM 564 CG2 VAL A 72 18.928 6.093 1.408 1.00 17.84 C ATOM 0 H VAL A 72 19.188 3.314 1.219 1.00 19.69 H new ATOM 0 HA VAL A 72 17.206 3.658 3.001 1.00 19.85 H new ATOM 0 HB VAL A 72 17.520 5.917 2.876 1.00 18.30 H new ATOM 0 HG11 VAL A 72 19.726 6.027 3.838 1.00 18.77 H new ATOM 0 HG12 VAL A 72 18.958 4.757 4.391 1.00 18.77 H new ATOM 0 HG13 VAL A 72 20.029 4.594 3.235 1.00 18.77 H new ATOM 0 HG21 VAL A 72 19.269 6.951 1.706 1.00 17.84 H new ATOM 0 HG22 VAL A 72 19.660 5.555 1.070 1.00 17.84 H new ATOM 0 HG23 VAL A 72 18.277 6.232 0.703 1.00 17.84 H new ATOM 565 N THR A 73 15.559 4.796 1.307 1.00 21.45 N ATOM 566 CA THR A 73 14.537 4.999 0.330 1.00 17.82 C ATOM 567 C THR A 73 14.582 6.379 -0.234 1.00 20.59 C ATOM 568 O THR A 73 14.639 7.351 0.524 1.00 26.81 O ATOM 569 CB THR A 73 13.201 4.763 1.026 1.00 25.44 C ATOM 570 OG1 THR A 73 13.210 3.462 1.539 1.00 21.30 O ATOM 571 CG2 THR A 73 12.039 4.862 0.061 1.00 18.77 C ATOM 0 H THR A 73 15.376 5.151 2.068 1.00 21.45 H new ATOM 0 HA THR A 73 14.664 4.387 -0.412 1.00 17.82 H new ATOM 0 HB THR A 73 13.092 5.436 1.716 1.00 25.44 H new ATOM 0 HG1 THR A 73 12.482 3.310 1.929 1.00 21.30 H new ATOM 0 HG21 THR A 73 11.208 4.707 0.537 1.00 18.77 H new ATOM 0 HG22 THR A 73 12.023 5.747 -0.337 1.00 18.77 H new ATOM 0 HG23 THR A 73 12.140 4.196 -0.637 1.00 18.77 H new ATOM 572 N TRP A 74 14.564 6.473 -1.580 1.00 18.94 N ATOM 573 CA TRP A 74 14.615 7.752 -2.290 1.00 14.41 C ATOM 574 C TRP A 74 13.273 8.079 -2.876 1.00 10.54 C ATOM 575 O TRP A 74 12.666 7.178 -3.439 1.00 19.49 O ATOM 576 CB TRP A 74 15.665 7.604 -3.414 1.00 16.36 C ATOM 577 CG TRP A 74 16.971 7.283 -2.868 1.00 9.96 C ATOM 578 CD1 TRP A 74 17.438 6.063 -2.483 1.00 16.33 C ATOM 579 CD2 TRP A 74 17.990 8.245 -2.651 1.00 5.10 C ATOM 580 NE1 TRP A 74 18.739 6.184 -2.023 1.00 14.17 N ATOM 581 CE2 TRP A 74 19.077 7.539 -2.088 1.00 11.20 C ATOM 582 CE3 TRP A 74 17.999 9.570 -2.834 1.00 10.62 C ATOM 583 CZ2 TRP A 74 20.210 8.227 -1.712 1.00 12.65 C ATOM 584 CZ3 TRP A 74 19.124 10.265 -2.524 1.00 11.00 C ATOM 585 CH2 TRP A 74 20.212 9.564 -1.978 1.00 13.05 C ATOM 0 H TRP A 74 14.522 5.789 -2.100 1.00 18.94 H new ATOM 0 HA TRP A 74 14.854 8.471 -1.684 1.00 14.41 H new ATOM 0 HB2 TRP A 74 15.388 6.908 -4.030 1.00 16.36 H new ATOM 0 HB3 TRP A 74 15.717 8.428 -3.923 1.00 16.36 H new ATOM 0 HD1 TRP A 74 16.956 5.269 -2.523 1.00 16.33 H new ATOM 0 HE1 TRP A 74 19.245 5.545 -1.749 1.00 14.17 H new ATOM 0 HE3 TRP A 74 17.249 10.007 -3.167 1.00 10.62 H new ATOM 0 HZ2 TRP A 74 20.930 7.805 -1.302 1.00 12.65 H new ATOM 0 HZ3 TRP A 74 19.173 11.182 -2.670 1.00 11.00 H new ATOM 0 HH2 TRP A 74 20.985 10.044 -1.785 1.00 13.05 H new ATOM 586 N VAL A 75 12.767 9.298 -2.771 1.00 12.92 N ATOM 587 CA VAL A 75 11.480 9.565 -3.352 1.00 18.59 C ATOM 588 C VAL A 75 11.576 10.831 -4.092 1.00 12.97 C ATOM 589 O VAL A 75 12.499 11.580 -3.809 1.00 18.47 O ATOM 590 CB VAL A 75 10.380 9.624 -2.249 1.00 23.14 C ATOM 591 CG1 VAL A 75 10.318 8.267 -1.505 1.00 27.99 C ATOM 592 CG2 VAL A 75 10.772 10.745 -1.301 1.00 14.77 C ATOM 0 H VAL A 75 13.145 9.963 -2.378 1.00 12.92 H new ATOM 0 HA VAL A 75 11.225 8.853 -3.959 1.00 18.59 H new ATOM 0 HB VAL A 75 9.502 9.792 -2.626 1.00 23.14 H new ATOM 0 HG11 VAL A 75 9.633 8.305 -0.819 1.00 27.99 H new ATOM 0 HG12 VAL A 75 10.105 7.561 -2.136 1.00 27.99 H new ATOM 0 HG13 VAL A 75 11.177 8.084 -1.094 1.00 27.99 H new ATOM 0 HG21 VAL A 75 10.111 10.818 -0.595 1.00 14.77 H new ATOM 0 HG22 VAL A 75 11.640 10.552 -0.913 1.00 14.77 H new ATOM 0 HG23 VAL A 75 10.816 11.582 -1.790 1.00 14.77 H new ATOM 593 N LYS A 76 10.653 11.101 -5.037 1.00 25.75 N ATOM 594 CA LYS A 76 10.746 12.326 -5.796 1.00 19.67 C ATOM 595 C LYS A 76 9.823 13.418 -5.503 1.00 22.01 C ATOM 596 O LYS A 76 9.862 14.405 -6.179 1.00 25.04 O ATOM 597 CB LYS A 76 10.797 12.090 -7.271 1.00 28.43 C ATOM 598 CG LYS A 76 12.070 11.346 -7.586 1.00 33.36 C ATOM 599 CD LYS A 76 12.071 10.619 -8.905 1.00 44.45 C ATOM 600 CE LYS A 76 13.472 10.127 -9.253 1.00 57.03 C ATOM 601 NZ LYS A 76 13.558 9.404 -10.536 1.00 62.93 N ATOM 0 H LYS A 76 9.989 10.593 -5.238 1.00 25.75 H new ATOM 0 HA LYS A 76 11.595 12.656 -5.462 1.00 19.67 H new ATOM 0 HB2 LYS A 76 10.026 11.577 -7.558 1.00 28.43 H new ATOM 0 HB3 LYS A 76 10.771 12.933 -7.750 1.00 28.43 H new ATOM 0 HG2 LYS A 76 12.808 11.976 -7.578 1.00 33.36 H new ATOM 0 HG3 LYS A 76 12.238 10.704 -6.878 1.00 33.36 H new ATOM 0 HD2 LYS A 76 11.460 9.866 -8.864 1.00 44.45 H new ATOM 0 HD3 LYS A 76 11.748 11.209 -9.604 1.00 44.45 H new ATOM 0 HE2 LYS A 76 14.073 10.888 -9.281 1.00 57.03 H new ATOM 0 HE3 LYS A 76 13.785 9.544 -8.543 1.00 57.03 H new ATOM 0 HZ1 LYS A 76 14.398 9.147 -10.676 1.00 62.93 H new ATOM 0 HZ2 LYS A 76 13.029 8.689 -10.510 1.00 62.93 H new ATOM 0 HZ3 LYS A 76 13.298 9.940 -11.197 1.00 62.93 H new ATOM 602 N SER A 77 8.989 13.309 -4.518 1.00 20.56 N ATOM 603 CA SER A 77 8.079 14.400 -4.188 1.00 17.06 C ATOM 604 C SER A 77 7.612 14.169 -2.774 1.00 19.67 C ATOM 605 O SER A 77 7.797 13.056 -2.214 1.00 16.65 O ATOM 606 CB SER A 77 6.701 14.344 -4.882 1.00 17.35 C ATOM 607 OG SER A 77 6.117 13.010 -4.813 1.00 20.29 O ATOM 0 H SER A 77 8.919 12.615 -4.014 1.00 20.56 H new ATOM 0 HA SER A 77 8.574 15.203 -4.413 1.00 17.06 H new ATOM 0 HB2 SER A 77 6.102 14.982 -4.464 1.00 17.35 H new ATOM 0 HB3 SER A 77 6.795 14.609 -5.810 1.00 17.35 H new ATOM 0 HG SER A 77 5.370 13.011 -5.196 1.00 20.29 H new ATOM 608 N VAL A 78 6.977 15.226 -2.305 1.00 19.54 N ATOM 609 CA VAL A 78 6.408 15.227 -0.998 1.00 22.61 C ATOM 610 C VAL A 78 5.401 14.109 -0.831 1.00 26.34 C ATOM 611 O VAL A 78 5.490 13.298 0.084 1.00 27.52 O ATOM 612 CB VAL A 78 5.915 16.594 -0.624 1.00 22.75 C ATOM 613 CG1 VAL A 78 5.144 16.579 0.714 1.00 23.03 C ATOM 614 CG2 VAL A 78 7.175 17.440 -0.489 1.00 27.09 C ATOM 0 H VAL A 78 6.869 15.958 -2.743 1.00 19.54 H new ATOM 0 HA VAL A 78 7.100 15.027 -0.349 1.00 22.61 H new ATOM 0 HB VAL A 78 5.297 16.938 -1.288 1.00 22.75 H new ATOM 0 HG11 VAL A 78 4.841 17.476 0.923 1.00 23.03 H new ATOM 0 HG12 VAL A 78 4.378 15.989 0.640 1.00 23.03 H new ATOM 0 HG13 VAL A 78 5.728 16.262 1.421 1.00 23.03 H new ATOM 0 HG21 VAL A 78 6.932 18.347 -0.246 1.00 27.09 H new ATOM 0 HG22 VAL A 78 7.746 17.063 0.199 1.00 27.09 H new ATOM 0 HG23 VAL A 78 7.651 17.449 -1.334 1.00 27.09 H new ATOM 615 N ASP A 79 4.451 14.024 -1.732 1.00 28.61 N ATOM 616 CA ASP A 79 3.492 12.959 -1.618 1.00 25.86 C ATOM 617 C ASP A 79 4.110 11.611 -1.625 1.00 27.00 C ATOM 618 O ASP A 79 3.671 10.768 -0.865 1.00 21.97 O ATOM 619 CB ASP A 79 2.323 13.023 -2.594 1.00 28.14 C ATOM 620 CG ASP A 79 1.650 14.366 -2.574 1.00 42.02 C ATOM 621 OD1 ASP A 79 1.339 14.813 -1.388 1.00 45.39 O ATOM 622 OD2 ASP A 79 1.448 15.007 -3.579 1.00 49.85 O ATOM 0 H ASP A 79 4.345 14.556 -2.399 1.00 28.61 H new ATOM 0 HA ASP A 79 3.108 13.112 -0.740 1.00 25.86 H new ATOM 0 HB2 ASP A 79 2.640 12.834 -3.491 1.00 28.14 H new ATOM 0 HB3 ASP A 79 1.677 12.335 -2.370 1.00 28.14 H new ATOM 623 N GLU A 80 5.125 11.363 -2.449 1.00 19.27 N ATOM 624 CA GLU A 80 5.656 10.053 -2.372 1.00 19.34 C ATOM 625 C GLU A 80 6.332 9.792 -1.083 1.00 15.45 C ATOM 626 O GLU A 80 6.415 8.684 -0.632 1.00 16.28 O ATOM 627 CB GLU A 80 6.773 9.854 -3.337 1.00 29.76 C ATOM 628 CG GLU A 80 6.352 9.170 -4.617 1.00 41.92 C ATOM 629 CD GLU A 80 7.356 9.437 -5.699 1.00 56.49 C ATOM 630 OE1 GLU A 80 8.617 9.027 -5.379 1.00 46.55 O ATOM 631 OE2 GLU A 80 7.002 10.074 -6.713 1.00 58.20 O ATOM 0 H GLU A 80 5.484 11.905 -3.012 1.00 19.27 H new ATOM 0 HA GLU A 80 4.886 9.484 -2.529 1.00 19.34 H new ATOM 0 HB2 GLU A 80 7.162 10.716 -3.553 1.00 29.76 H new ATOM 0 HB3 GLU A 80 7.468 9.328 -2.912 1.00 29.76 H new ATOM 0 HG2 GLU A 80 6.271 8.215 -4.470 1.00 41.92 H new ATOM 0 HG3 GLU A 80 5.478 9.490 -4.891 1.00 41.92 H new ATOM 632 N ALA A 81 6.882 10.828 -0.513 1.00 24.02 N ATOM 633 CA ALA A 81 7.586 10.589 0.721 1.00 17.55 C ATOM 634 C ALA A 81 6.615 10.078 1.827 1.00 17.60 C ATOM 635 O ALA A 81 6.877 9.104 2.532 1.00 16.66 O ATOM 636 CB ALA A 81 8.271 11.877 1.099 1.00 14.45 C ATOM 0 H ALA A 81 6.866 11.639 -0.800 1.00 24.02 H new ATOM 0 HA ALA A 81 8.250 9.890 0.616 1.00 17.55 H new ATOM 0 HB1 ALA A 81 8.757 11.754 1.929 1.00 14.45 H new ATOM 0 HB2 ALA A 81 8.890 12.133 0.397 1.00 14.45 H new ATOM 0 HB3 ALA A 81 7.607 12.575 1.214 1.00 14.45 H new ATOM 637 N ILE A 82 5.505 10.784 1.917 1.00 19.38 N ATOM 638 CA ILE A 82 4.471 10.485 2.862 1.00 22.56 C ATOM 639 C ILE A 82 4.020 9.078 2.588 1.00 24.04 C ATOM 640 O ILE A 82 3.922 8.237 3.480 1.00 28.37 O ATOM 641 CB ILE A 82 3.351 11.530 2.814 1.00 26.91 C ATOM 642 CG1 ILE A 82 3.810 12.816 3.432 1.00 21.72 C ATOM 643 CG2 ILE A 82 2.116 11.097 3.575 1.00 24.01 C ATOM 644 CD1 ILE A 82 3.044 13.947 2.760 1.00 22.36 C ATOM 0 H ILE A 82 5.334 11.463 1.417 1.00 19.38 H new ATOM 0 HA ILE A 82 4.794 10.533 3.775 1.00 22.56 H new ATOM 0 HB ILE A 82 3.132 11.639 1.875 1.00 26.91 H new ATOM 0 HG12 ILE A 82 3.645 12.813 4.388 1.00 21.72 H new ATOM 0 HG13 ILE A 82 4.765 12.931 3.310 1.00 21.72 H new ATOM 0 HG21 ILE A 82 1.439 11.789 3.515 1.00 24.01 H new ATOM 0 HG22 ILE A 82 1.772 10.275 3.193 1.00 24.01 H new ATOM 0 HG23 ILE A 82 2.345 10.949 4.506 1.00 24.01 H new ATOM 0 HD11 ILE A 82 3.320 14.796 3.140 1.00 22.36 H new ATOM 0 HD12 ILE A 82 3.230 13.944 1.808 1.00 22.36 H new ATOM 0 HD13 ILE A 82 2.093 13.823 2.903 1.00 22.36 H new ATOM 645 N ALA A 83 3.779 8.722 1.371 1.00 19.42 N ATOM 646 CA ALA A 83 3.358 7.355 1.206 1.00 14.93 C ATOM 647 C ALA A 83 4.357 6.321 1.503 1.00 20.63 C ATOM 648 O ALA A 83 4.027 5.192 1.819 1.00 22.67 O ATOM 649 CB ALA A 83 2.998 7.155 -0.209 1.00 24.36 C ATOM 0 H ALA A 83 3.843 9.207 0.663 1.00 19.42 H new ATOM 0 HA ALA A 83 2.635 7.247 1.844 1.00 14.93 H new ATOM 0 HB1 ALA A 83 2.711 6.238 -0.344 1.00 24.36 H new ATOM 0 HB2 ALA A 83 2.277 7.758 -0.448 1.00 24.36 H new ATOM 0 HB3 ALA A 83 3.769 7.337 -0.768 1.00 24.36 H new ATOM 650 N ALA A 84 5.619 6.666 1.384 1.00 26.53 N ATOM 651 CA ALA A 84 6.640 5.646 1.653 1.00 25.89 C ATOM 652 C ALA A 84 6.712 5.274 3.141 1.00 23.21 C ATOM 653 O ALA A 84 7.305 4.279 3.557 1.00 25.66 O ATOM 654 CB ALA A 84 8.011 6.137 1.107 1.00 29.10 C ATOM 0 H ALA A 84 5.910 7.444 1.160 1.00 26.53 H new ATOM 0 HA ALA A 84 6.393 4.830 1.191 1.00 25.89 H new ATOM 0 HB1 ALA A 84 8.689 5.466 1.283 1.00 29.10 H new ATOM 0 HB2 ALA A 84 7.944 6.286 0.151 1.00 29.10 H new ATOM 0 HB3 ALA A 84 8.256 6.966 1.546 1.00 29.10 H new ATOM 655 N CYS A 85 6.118 6.137 3.954 1.00 25.48 N ATOM 656 CA CYS A 85 6.096 5.978 5.387 1.00 24.08 C ATOM 657 C CYS A 85 5.089 4.972 5.844 1.00 31.48 C ATOM 658 O CYS A 85 5.161 4.454 6.972 1.00 32.71 O ATOM 659 CB CYS A 85 5.799 7.294 6.092 1.00 12.25 C ATOM 660 SG CYS A 85 7.156 8.470 5.980 1.00 22.04 S ATOM 0 H CYS A 85 5.711 6.842 3.677 1.00 25.48 H new ATOM 0 HA CYS A 85 6.983 5.664 5.621 1.00 24.08 H new ATOM 0 HB2 CYS A 85 5.002 7.689 5.706 1.00 12.25 H new ATOM 0 HB3 CYS A 85 5.605 7.119 7.026 1.00 12.25 H new ATOM 0 HG CYS A 85 7.242 8.877 4.854 1.00 22.04 H new ATOM 661 N GLY A 86 4.150 4.707 4.982 1.00 21.23 N ATOM 662 CA GLY A 86 3.194 3.740 5.410 1.00 25.35 C ATOM 663 C GLY A 86 2.307 4.199 6.570 1.00 25.52 C ATOM 664 O GLY A 86 2.270 5.334 6.966 1.00 30.25 O ATOM 0 H GLY A 86 4.049 5.047 4.199 1.00 21.23 H new ATOM 0 HA2 GLY A 86 2.628 3.505 4.658 1.00 25.35 H new ATOM 0 HA3 GLY A 86 3.663 2.933 5.675 1.00 25.35 H new ATOM 665 N ASP A 87 1.579 3.274 7.119 1.00 29.72 N ATOM 666 CA ASP A 87 0.670 3.548 8.190 1.00 45.95 C ATOM 667 C ASP A 87 1.358 3.572 9.543 1.00 34.62 C ATOM 668 O ASP A 87 1.414 2.548 10.202 1.00 34.77 O ATOM 669 CB ASP A 87 -0.452 2.486 8.057 1.00 59.71 C ATOM 670 CG ASP A 87 -1.795 3.109 8.258 1.00 77.88 C ATOM 671 OD1 ASP A 87 -1.688 4.412 8.322 1.00 85.36 O ATOM 672 OD2 ASP A 87 -2.854 2.496 8.378 1.00 85.73 O ATOM 0 H ASP A 87 1.597 2.449 6.877 1.00 29.72 H new ATOM 0 HA ASP A 87 0.292 4.439 8.131 1.00 45.95 H new ATOM 0 HB2 ASP A 87 -0.410 2.072 7.181 1.00 59.71 H new ATOM 0 HB3 ASP A 87 -0.316 1.782 8.710 1.00 59.71 H new ATOM 673 N VAL A 88 1.877 4.730 9.926 1.00 23.64 N ATOM 674 CA VAL A 88 2.571 4.845 11.177 1.00 14.68 C ATOM 675 C VAL A 88 1.984 5.927 12.050 1.00 20.69 C ATOM 676 O VAL A 88 1.353 6.874 11.615 1.00 24.55 O ATOM 677 CB VAL A 88 4.043 5.081 11.000 1.00 16.47 C ATOM 678 CG1 VAL A 88 4.632 3.878 10.292 1.00 17.65 C ATOM 679 CG2 VAL A 88 4.186 6.422 10.292 1.00 14.52 C ATOM 0 H VAL A 88 1.833 5.457 9.469 1.00 23.64 H new ATOM 0 HA VAL A 88 2.455 3.990 11.620 1.00 14.68 H new ATOM 0 HB VAL A 88 4.548 5.153 11.825 1.00 16.47 H new ATOM 0 HG11 VAL A 88 5.585 4.010 10.167 1.00 17.65 H new ATOM 0 HG12 VAL A 88 4.484 3.083 10.827 1.00 17.65 H new ATOM 0 HG13 VAL A 88 4.205 3.770 9.428 1.00 17.65 H new ATOM 0 HG21 VAL A 88 5.126 6.617 10.156 1.00 14.52 H new ATOM 0 HG22 VAL A 88 3.736 6.384 9.433 1.00 14.52 H new ATOM 0 HG23 VAL A 88 3.787 7.119 10.836 1.00 14.52 H new ATOM 680 N PRO A 89 2.170 5.795 13.330 1.00 19.84 N ATOM 681 CA PRO A 89 1.596 6.819 14.169 1.00 21.38 C ATOM 682 C PRO A 89 2.252 8.167 14.007 1.00 22.01 C ATOM 683 O PRO A 89 1.583 9.207 14.117 1.00 27.48 O ATOM 684 CB PRO A 89 1.782 6.325 15.610 1.00 18.69 C ATOM 685 CG PRO A 89 2.334 4.921 15.557 1.00 21.86 C ATOM 686 CD PRO A 89 2.682 4.610 14.101 1.00 22.39 C ATOM 0 HA PRO A 89 0.667 6.953 13.925 1.00 21.38 H new ATOM 0 HB2 PRO A 89 2.388 6.909 16.093 1.00 18.69 H new ATOM 0 HB3 PRO A 89 0.936 6.339 16.085 1.00 18.69 H new ATOM 0 HG2 PRO A 89 3.121 4.844 16.119 1.00 21.86 H new ATOM 0 HG3 PRO A 89 1.682 4.287 15.894 1.00 21.86 H new ATOM 0 HD2 PRO A 89 3.638 4.498 13.983 1.00 22.39 H new ATOM 0 HD3 PRO A 89 2.261 3.788 13.805 1.00 22.39 H new ATOM 687 N GLU A 90 3.579 8.204 13.761 1.00 16.70 N ATOM 688 CA GLU A 90 4.241 9.501 13.640 1.00 13.30 C ATOM 689 C GLU A 90 5.457 9.443 12.679 1.00 19.93 C ATOM 690 O GLU A 90 6.282 8.540 12.762 1.00 22.23 O ATOM 691 CB GLU A 90 4.773 9.852 15.018 1.00 7.24 C ATOM 692 CG GLU A 90 5.353 11.281 15.063 1.00 15.07 C ATOM 693 CD GLU A 90 5.701 11.797 16.468 1.00 16.89 C ATOM 694 OE1 GLU A 90 5.990 10.853 17.374 1.00 18.53 O ATOM 695 OE2 GLU A 90 5.799 12.989 16.698 1.00 21.04 O ATOM 0 H GLU A 90 4.086 7.516 13.666 1.00 16.70 H new ATOM 0 HA GLU A 90 3.606 10.148 13.294 1.00 13.30 H new ATOM 0 HB2 GLU A 90 4.059 9.772 15.670 1.00 7.24 H new ATOM 0 HB3 GLU A 90 5.460 9.216 15.271 1.00 7.24 H new ATOM 0 HG2 GLU A 90 6.153 11.308 14.516 1.00 15.07 H new ATOM 0 HG3 GLU A 90 4.713 11.888 14.660 1.00 15.07 H new ATOM 696 N ILE A 91 5.503 10.428 11.808 1.00 18.54 N ATOM 697 CA ILE A 91 6.536 10.614 10.800 1.00 16.59 C ATOM 698 C ILE A 91 7.378 11.798 11.271 1.00 18.88 C ATOM 699 O ILE A 91 6.870 12.897 11.592 1.00 18.32 O ATOM 700 CB ILE A 91 5.868 11.020 9.488 1.00 16.53 C ATOM 701 CG1 ILE A 91 5.068 9.823 8.939 1.00 19.64 C ATOM 702 CG2 ILE A 91 6.918 11.620 8.487 1.00 17.62 C ATOM 703 CD1 ILE A 91 3.820 10.116 8.109 1.00 13.87 C ATOM 0 H ILE A 91 4.902 11.043 11.783 1.00 18.54 H new ATOM 0 HA ILE A 91 7.062 9.808 10.675 1.00 16.59 H new ATOM 0 HB ILE A 91 5.231 11.737 9.634 1.00 16.53 H new ATOM 0 HG12 ILE A 91 5.668 9.289 8.395 1.00 19.64 H new ATOM 0 HG13 ILE A 91 4.802 9.273 9.692 1.00 19.64 H new ATOM 0 HG21 ILE A 91 6.473 11.870 7.662 1.00 17.62 H new ATOM 0 HG22 ILE A 91 7.331 12.404 8.882 1.00 17.62 H new ATOM 0 HG23 ILE A 91 7.600 10.957 8.297 1.00 17.62 H new ATOM 0 HD11 ILE A 91 3.415 9.281 7.828 1.00 13.87 H new ATOM 0 HD12 ILE A 91 3.186 10.619 8.644 1.00 13.87 H new ATOM 0 HD13 ILE A 91 4.066 10.635 7.327 1.00 13.87 H new ATOM 704 N MET A 92 8.676 11.572 11.312 1.00 7.30 N ATOM 705 CA MET A 92 9.504 12.640 11.723 1.00 10.37 C ATOM 706 C MET A 92 10.271 13.213 10.495 1.00 12.99 C ATOM 707 O MET A 92 10.836 12.411 9.726 1.00 17.75 O ATOM 708 CB MET A 92 10.593 12.036 12.673 1.00 13.58 C ATOM 709 CG MET A 92 10.014 11.352 13.934 1.00 15.72 C ATOM 710 SD MET A 92 9.087 12.587 14.947 1.00 22.50 S ATOM 711 CE MET A 92 10.361 13.629 15.703 1.00 10.02 C ATOM 0 H MET A 92 9.071 10.834 11.112 1.00 7.30 H new ATOM 0 HA MET A 92 8.968 13.330 12.145 1.00 10.37 H new ATOM 0 HB2 MET A 92 11.119 11.389 12.178 1.00 13.58 H new ATOM 0 HB3 MET A 92 11.198 12.743 12.948 1.00 13.58 H new ATOM 0 HG2 MET A 92 9.425 10.625 13.676 1.00 15.72 H new ATOM 0 HG3 MET A 92 10.731 10.963 14.459 1.00 15.72 H new ATOM 0 HE1 MET A 92 10.031 14.538 15.781 1.00 10.02 H new ATOM 0 HE2 MET A 92 10.578 13.287 16.584 1.00 10.02 H new ATOM 0 HE3 MET A 92 11.157 13.621 15.149 1.00 10.02 H new ATOM 712 N VAL A 93 10.201 14.524 10.358 1.00 14.26 N ATOM 713 CA VAL A 93 10.861 15.326 9.312 1.00 11.50 C ATOM 714 C VAL A 93 12.063 15.991 9.984 1.00 17.21 C ATOM 715 O VAL A 93 11.982 16.838 10.942 1.00 14.53 O ATOM 716 CB VAL A 93 9.899 16.320 8.690 1.00 11.63 C ATOM 717 CG1 VAL A 93 10.522 17.178 7.585 1.00 9.54 C ATOM 718 CG2 VAL A 93 8.672 15.534 8.167 1.00 13.65 C ATOM 0 H VAL A 93 9.742 15.010 10.900 1.00 14.26 H new ATOM 0 HA VAL A 93 11.158 14.777 8.570 1.00 11.50 H new ATOM 0 HB VAL A 93 9.637 16.955 9.374 1.00 11.63 H new ATOM 0 HG11 VAL A 93 9.855 17.788 7.234 1.00 9.54 H new ATOM 0 HG12 VAL A 93 11.264 17.686 7.949 1.00 9.54 H new ATOM 0 HG13 VAL A 93 10.843 16.604 6.872 1.00 9.54 H new ATOM 0 HG21 VAL A 93 8.041 16.150 7.764 1.00 13.65 H new ATOM 0 HG22 VAL A 93 8.960 14.887 7.504 1.00 13.65 H new ATOM 0 HG23 VAL A 93 8.245 15.072 8.905 1.00 13.65 H new ATOM 719 N ILE A 94 13.228 15.583 9.452 1.00 14.77 N ATOM 720 CA ILE A 94 14.465 16.064 9.955 1.00 10.06 C ATOM 721 C ILE A 94 15.190 17.094 9.166 1.00 10.77 C ATOM 722 O ILE A 94 16.299 17.347 9.478 1.00 15.52 O ATOM 723 CB ILE A 94 15.380 14.908 10.399 1.00 13.09 C ATOM 724 CG1 ILE A 94 15.860 14.153 9.157 1.00 14.14 C ATOM 725 CG2 ILE A 94 14.495 13.908 11.152 1.00 10.24 C ATOM 726 CD1 ILE A 94 17.034 13.202 9.459 1.00 12.98 C ATOM 0 H ILE A 94 13.296 15.027 8.799 1.00 14.77 H new ATOM 0 HA ILE A 94 14.192 16.579 10.730 1.00 10.06 H new ATOM 0 HB ILE A 94 16.121 15.249 10.924 1.00 13.09 H new ATOM 0 HG12 ILE A 94 15.122 13.643 8.787 1.00 14.14 H new ATOM 0 HG13 ILE A 94 16.132 14.792 8.479 1.00 14.14 H new ATOM 0 HG21 ILE A 94 15.034 13.159 11.451 1.00 10.24 H new ATOM 0 HG22 ILE A 94 14.094 14.345 11.920 1.00 10.24 H new ATOM 0 HG23 ILE A 94 13.795 13.586 10.562 1.00 10.24 H new ATOM 0 HD11 ILE A 94 17.301 12.749 8.644 1.00 12.98 H new ATOM 0 HD12 ILE A 94 17.783 13.712 9.805 1.00 12.98 H new ATOM 0 HD13 ILE A 94 16.758 12.546 10.118 1.00 12.98 H new ATOM 727 N GLY A 95 14.592 17.726 8.215 1.00 9.25 N ATOM 728 CA GLY A 95 15.394 18.772 7.589 1.00 8.97 C ATOM 729 C GLY A 95 15.724 18.450 6.137 1.00 10.91 C ATOM 730 O GLY A 95 15.381 17.385 5.637 1.00 11.79 O ATOM 0 H GLY A 95 13.794 17.600 7.920 1.00 9.25 H new ATOM 0 HA2 GLY A 95 14.915 19.614 7.631 1.00 8.97 H new ATOM 0 HA3 GLY A 95 16.217 18.889 8.088 1.00 8.97 H new ATOM 731 N GLY A 96 16.367 19.379 5.445 1.00 9.76 N ATOM 732 CA GLY A 96 16.876 20.677 5.842 1.00 4.80 C ATOM 733 C GLY A 96 15.880 21.792 5.604 1.00 14.41 C ATOM 734 O GLY A 96 14.701 21.558 5.557 1.00 17.37 O ATOM 0 H GLY A 96 16.537 19.239 4.614 1.00 9.76 H new ATOM 0 HA2 GLY A 96 17.112 20.654 6.783 1.00 4.80 H new ATOM 0 HA3 GLY A 96 17.690 20.865 5.350 1.00 4.80 H new ATOM 735 N GLY A 97 16.365 22.991 5.463 1.00 10.67 N ATOM 736 CA GLY A 97 15.489 24.142 5.273 1.00 14.21 C ATOM 737 C GLY A 97 14.377 23.982 4.263 1.00 18.78 C ATOM 738 O GLY A 97 13.215 24.271 4.537 1.00 12.25 O ATOM 0 H GLY A 97 17.205 23.177 5.472 1.00 10.67 H new ATOM 0 HA2 GLY A 97 15.092 24.366 6.129 1.00 14.21 H new ATOM 0 HA3 GLY A 97 16.035 24.898 5.007 1.00 14.21 H new ATOM 739 N ARG A 98 14.766 23.532 3.062 1.00 15.25 N ATOM 740 CA ARG A 98 13.783 23.359 1.990 1.00 22.68 C ATOM 741 C ARG A 98 12.676 22.432 2.335 1.00 13.04 C ATOM 742 O ARG A 98 11.496 22.620 2.040 1.00 18.14 O ATOM 743 CB ARG A 98 14.460 22.729 0.794 1.00 21.53 C ATOM 744 CG ARG A 98 14.862 23.743 -0.206 1.00 38.65 C ATOM 745 CD ARG A 98 15.091 22.943 -1.468 1.00 57.58 C ATOM 746 NE ARG A 98 13.868 22.455 -2.138 1.00 66.87 N ATOM 747 CZ ARG A 98 13.855 21.755 -3.301 1.00 67.97 C ATOM 748 NH1 ARG A 98 14.965 21.422 -3.965 1.00 66.64 N ATOM 749 NH2 ARG A 98 12.693 21.368 -3.828 1.00 68.43 N ATOM 0 H ARG A 98 15.575 23.326 2.854 1.00 15.25 H new ATOM 0 HA ARG A 98 13.425 24.245 1.824 1.00 22.68 H new ATOM 0 HB2 ARG A 98 15.242 22.236 1.087 1.00 21.53 H new ATOM 0 HB3 ARG A 98 13.859 22.089 0.382 1.00 21.53 H new ATOM 0 HG2 ARG A 98 14.171 24.412 -0.330 1.00 38.65 H new ATOM 0 HG3 ARG A 98 15.666 24.212 0.068 1.00 38.65 H new ATOM 0 HD2 ARG A 98 15.588 23.491 -2.095 1.00 57.58 H new ATOM 0 HD3 ARG A 98 15.650 22.180 -1.253 1.00 57.58 H new ATOM 0 HE ARG A 98 13.112 22.626 -1.765 1.00 66.87 H new ATOM 0 HH11 ARG A 98 15.735 21.652 -3.658 1.00 66.64 H new ATOM 0 HH12 ARG A 98 14.910 20.977 -4.699 1.00 66.64 H new ATOM 0 HH21 ARG A 98 11.955 21.562 -3.431 1.00 68.43 H new ATOM 0 HH22 ARG A 98 12.681 20.924 -4.565 1.00 68.43 H new ATOM 750 N VAL A 99 13.087 21.368 2.966 1.00 13.23 N ATOM 751 CA VAL A 99 12.194 20.309 3.409 1.00 13.26 C ATOM 752 C VAL A 99 11.290 20.763 4.551 1.00 18.48 C ATOM 753 O VAL A 99 10.127 20.526 4.517 1.00 19.86 O ATOM 754 CB VAL A 99 12.951 19.006 3.804 1.00 16.12 C ATOM 755 CG1 VAL A 99 11.918 18.027 4.319 1.00 24.08 C ATOM 756 CG2 VAL A 99 13.693 18.392 2.607 1.00 14.64 C ATOM 0 H VAL A 99 13.913 21.226 3.160 1.00 13.23 H new ATOM 0 HA VAL A 99 11.637 20.101 2.643 1.00 13.26 H new ATOM 0 HB VAL A 99 13.618 19.210 4.478 1.00 16.12 H new ATOM 0 HG11 VAL A 99 12.355 17.200 4.576 1.00 24.08 H new ATOM 0 HG12 VAL A 99 11.468 18.407 5.090 1.00 24.08 H new ATOM 0 HG13 VAL A 99 11.268 17.846 3.622 1.00 24.08 H new ATOM 0 HG21 VAL A 99 14.151 17.585 2.889 1.00 14.64 H new ATOM 0 HG22 VAL A 99 13.056 18.174 1.908 1.00 14.64 H new ATOM 0 HG23 VAL A 99 14.341 19.029 2.266 1.00 14.64 H new ATOM 757 N TYR A 100 11.809 21.436 5.538 1.00 11.63 N ATOM 758 CA TYR A 100 10.950 21.886 6.625 1.00 9.77 C ATOM 759 C TYR A 100 9.851 22.801 6.098 1.00 16.69 C ATOM 760 O TYR A 100 8.655 22.824 6.463 1.00 20.65 O ATOM 761 CB TYR A 100 11.871 22.752 7.594 1.00 6.47 C ATOM 762 CG TYR A 100 12.760 21.934 8.544 1.00 11.49 C ATOM 763 CD1 TYR A 100 12.317 20.747 9.134 1.00 12.59 C ATOM 764 CD2 TYR A 100 14.021 22.427 8.903 1.00 12.24 C ATOM 765 CE1 TYR A 100 13.136 20.033 10.017 1.00 15.33 C ATOM 766 CE2 TYR A 100 14.846 21.722 9.776 1.00 5.70 C ATOM 767 CZ TYR A 100 14.400 20.543 10.355 1.00 10.17 C ATOM 768 OH TYR A 100 15.251 19.846 11.223 1.00 13.93 O ATOM 0 H TYR A 100 12.640 21.647 5.611 1.00 11.63 H new ATOM 0 HA TYR A 100 10.542 21.124 7.066 1.00 9.77 H new ATOM 0 HB2 TYR A 100 12.438 23.324 7.054 1.00 6.47 H new ATOM 0 HB3 TYR A 100 11.304 23.334 8.124 1.00 6.47 H new ATOM 0 HD1 TYR A 100 11.466 20.427 8.937 1.00 12.59 H new ATOM 0 HD2 TYR A 100 14.312 23.238 8.553 1.00 12.24 H new ATOM 0 HE1 TYR A 100 12.845 19.227 10.377 1.00 15.33 H new ATOM 0 HE2 TYR A 100 15.697 22.042 9.971 1.00 5.70 H new ATOM 0 HH TYR A 100 14.851 19.694 11.946 1.00 13.93 H new ATOM 769 N GLU A 101 10.259 23.618 5.173 1.00 19.95 N ATOM 770 CA GLU A 101 9.366 24.579 4.579 1.00 15.70 C ATOM 771 C GLU A 101 8.207 23.914 3.927 1.00 17.34 C ATOM 772 O GLU A 101 7.093 24.401 4.028 1.00 22.46 O ATOM 773 CB GLU A 101 10.221 25.356 3.616 1.00 31.95 C ATOM 774 CG GLU A 101 9.520 26.510 2.937 1.00 50.64 C ATOM 775 CD GLU A 101 10.505 27.429 2.261 1.00 72.77 C ATOM 776 OE1 GLU A 101 11.689 27.490 2.875 1.00 76.50 O ATOM 777 OE2 GLU A 101 10.203 28.071 1.257 1.00 78.61 O ATOM 0 H GLU A 101 11.062 23.637 4.866 1.00 19.95 H new ATOM 0 HA GLU A 101 8.963 25.168 5.236 1.00 15.70 H new ATOM 0 HB2 GLU A 101 10.994 25.698 4.092 1.00 31.95 H new ATOM 0 HB3 GLU A 101 10.553 24.750 2.935 1.00 31.95 H new ATOM 0 HG2 GLU A 101 8.891 26.169 2.282 1.00 50.64 H new ATOM 0 HG3 GLU A 101 9.006 27.009 3.591 1.00 50.64 H new ATOM 778 N GLN A 102 8.452 22.802 3.246 1.00 16.43 N ATOM 779 CA GLN A 102 7.373 22.060 2.574 1.00 15.25 C ATOM 780 C GLN A 102 6.485 21.281 3.551 1.00 16.57 C ATOM 781 O GLN A 102 5.309 21.090 3.335 1.00 22.78 O ATOM 782 CB GLN A 102 7.842 21.111 1.474 1.00 13.26 C ATOM 783 CG GLN A 102 8.642 21.935 0.408 1.00 15.20 C ATOM 784 CD GLN A 102 9.446 21.036 -0.552 1.00 19.85 C ATOM 785 OE1 GLN A 102 8.897 20.263 -1.321 1.00 19.32 O ATOM 786 NE2 GLN A 102 10.669 20.736 -0.185 1.00 19.28 N ATOM 0 H GLN A 102 9.233 22.454 3.157 1.00 16.43 H new ATOM 0 HA GLN A 102 6.854 22.764 2.154 1.00 15.25 H new ATOM 0 HB2 GLN A 102 8.401 20.412 1.848 1.00 13.26 H new ATOM 0 HB3 GLN A 102 7.081 20.674 1.060 1.00 13.26 H new ATOM 0 HG2 GLN A 102 8.025 22.480 -0.105 1.00 15.20 H new ATOM 0 HG3 GLN A 102 9.248 22.542 0.861 1.00 15.20 H new ATOM 0 HE21 GLN A 102 11.094 21.252 0.356 1.00 19.28 H new ATOM 0 HE22 GLN A 102 11.045 20.023 -0.485 1.00 19.28 H new ATOM 787 N PHE A 103 7.027 20.822 4.599 1.00 13.72 N ATOM 788 CA PHE A 103 6.228 20.060 5.550 1.00 12.78 C ATOM 789 C PHE A 103 5.506 20.867 6.686 1.00 21.91 C ATOM 790 O PHE A 103 4.491 20.377 7.229 1.00 21.01 O ATOM 791 CB PHE A 103 7.025 18.903 6.167 1.00 9.63 C ATOM 792 CG PHE A 103 7.212 17.767 5.198 1.00 15.47 C ATOM 793 CD1 PHE A 103 8.242 17.794 4.259 1.00 21.43 C ATOM 794 CD2 PHE A 103 6.352 16.690 5.207 1.00 17.84 C ATOM 795 CE1 PHE A 103 8.429 16.762 3.346 1.00 16.34 C ATOM 796 CE2 PHE A 103 6.501 15.622 4.327 1.00 21.95 C ATOM 797 CZ PHE A 103 7.541 15.677 3.391 1.00 25.96 C ATOM 0 H PHE A 103 7.855 20.922 4.810 1.00 13.72 H new ATOM 0 HA PHE A 103 5.510 19.725 4.991 1.00 12.78 H new ATOM 0 HB2 PHE A 103 7.893 19.227 6.456 1.00 9.63 H new ATOM 0 HB3 PHE A 103 6.565 18.580 6.958 1.00 9.63 H new ATOM 0 HD1 PHE A 103 8.820 18.522 4.243 1.00 21.43 H new ATOM 0 HD2 PHE A 103 5.652 16.677 5.819 1.00 17.84 H new ATOM 0 HE1 PHE A 103 9.121 16.790 2.725 1.00 16.34 H new ATOM 0 HE2 PHE A 103 5.926 14.892 4.360 1.00 21.95 H new ATOM 0 HZ PHE A 103 7.645 14.979 2.786 1.00 25.96 H new ATOM 798 N LEU A 104 6.032 22.028 7.045 1.00 12.89 N ATOM 799 CA LEU A 104 5.463 22.848 8.096 1.00 14.62 C ATOM 800 C LEU A 104 3.942 22.926 8.074 1.00 26.75 C ATOM 801 O LEU A 104 3.275 22.560 9.014 1.00 27.40 O ATOM 802 CB LEU A 104 6.044 24.256 8.119 1.00 13.40 C ATOM 803 CG LEU A 104 5.569 25.107 9.329 1.00 17.26 C ATOM 804 CD1 LEU A 104 6.021 24.463 10.633 1.00 24.76 C ATOM 805 CD2 LEU A 104 6.177 26.495 9.316 1.00 21.34 C ATOM 0 H LEU A 104 6.735 22.364 6.681 1.00 12.89 H new ATOM 0 HA LEU A 104 5.716 22.387 8.911 1.00 14.62 H new ATOM 0 HB2 LEU A 104 7.012 24.198 8.135 1.00 13.40 H new ATOM 0 HB3 LEU A 104 5.801 24.711 7.298 1.00 13.40 H new ATOM 0 HG LEU A 104 4.603 25.160 9.263 1.00 17.26 H new ATOM 0 HD11 LEU A 104 5.720 25.001 11.381 1.00 24.76 H new ATOM 0 HD12 LEU A 104 5.642 23.573 10.703 1.00 24.76 H new ATOM 0 HD13 LEU A 104 6.989 24.404 10.647 1.00 24.76 H new ATOM 0 HD21 LEU A 104 5.859 26.995 10.084 1.00 21.34 H new ATOM 0 HD22 LEU A 104 7.144 26.425 9.354 1.00 21.34 H new ATOM 0 HD23 LEU A 104 5.918 26.954 8.502 1.00 21.34 H new ATOM 806 N PRO A 105 3.406 23.380 7.018 1.00 21.66 N ATOM 807 CA PRO A 105 1.984 23.501 6.876 1.00 26.38 C ATOM 808 C PRO A 105 1.250 22.219 7.074 1.00 21.17 C ATOM 809 O PRO A 105 0.047 22.234 7.373 1.00 28.44 O ATOM 810 CB PRO A 105 1.778 23.978 5.489 1.00 24.84 C ATOM 811 CG PRO A 105 3.173 24.206 4.898 1.00 25.00 C ATOM 812 CD PRO A 105 4.177 23.679 5.830 1.00 19.10 C ATOM 0 HA PRO A 105 1.637 24.101 7.555 1.00 26.38 H new ATOM 0 HB2 PRO A 105 1.285 23.325 4.969 1.00 24.84 H new ATOM 0 HB3 PRO A 105 1.260 24.798 5.479 1.00 24.84 H new ATOM 0 HG2 PRO A 105 3.249 23.764 4.038 1.00 25.00 H new ATOM 0 HG3 PRO A 105 3.322 25.152 4.745 1.00 25.00 H new ATOM 0 HD2 PRO A 105 4.612 22.887 5.477 1.00 19.10 H new ATOM 0 HD3 PRO A 105 4.874 24.329 6.010 1.00 19.10 H new ATOM 813 N LYS A 106 1.915 21.100 6.926 1.00 18.23 N ATOM 814 CA LYS A 106 1.230 19.877 7.144 1.00 13.47 C ATOM 815 C LYS A 106 1.551 19.264 8.538 1.00 21.76 C ATOM 816 O LYS A 106 1.109 18.180 8.854 1.00 19.28 O ATOM 817 CB LYS A 106 1.737 18.801 6.263 1.00 26.07 C ATOM 818 CG LYS A 106 1.586 19.119 4.813 1.00 27.14 C ATOM 819 CD LYS A 106 2.070 17.964 3.913 1.00 27.77 C ATOM 820 CE LYS A 106 1.018 17.048 3.238 1.00 41.86 C ATOM 821 NZ LYS A 106 0.183 17.586 2.124 1.00 42.73 N ATOM 0 H LYS A 106 2.743 21.034 6.705 1.00 18.23 H new ATOM 0 HA LYS A 106 0.298 20.111 7.011 1.00 13.47 H new ATOM 0 HB2 LYS A 106 2.674 18.643 6.459 1.00 26.07 H new ATOM 0 HB3 LYS A 106 1.263 17.978 6.460 1.00 26.07 H new ATOM 0 HG2 LYS A 106 0.655 19.309 4.620 1.00 27.14 H new ATOM 0 HG3 LYS A 106 2.089 19.922 4.605 1.00 27.14 H new ATOM 0 HD2 LYS A 106 2.617 18.349 3.211 1.00 27.77 H new ATOM 0 HD3 LYS A 106 2.650 17.400 4.447 1.00 27.77 H new ATOM 0 HE2 LYS A 106 1.485 16.268 2.901 1.00 41.86 H new ATOM 0 HE3 LYS A 106 0.414 16.739 3.931 1.00 41.86 H new ATOM 0 HZ1 LYS A 106 -0.372 16.953 1.836 1.00 42.73 H new ATOM 0 HZ2 LYS A 106 -0.288 18.283 2.415 1.00 42.73 H new ATOM 0 HZ3 LYS A 106 0.710 17.844 1.455 1.00 42.73 H new ATOM 822 N ALA A 107 2.342 19.899 9.378 1.00 16.77 N ATOM 823 CA ALA A 107 2.691 19.269 10.629 1.00 12.46 C ATOM 824 C ALA A 107 1.777 19.578 11.836 1.00 8.83 C ATOM 825 O ALA A 107 1.280 20.682 12.027 1.00 17.21 O ATOM 826 CB ALA A 107 4.078 19.815 10.948 1.00 10.44 C ATOM 0 H ALA A 107 2.681 20.678 9.247 1.00 16.77 H new ATOM 0 HA ALA A 107 2.617 18.309 10.510 1.00 12.46 H new ATOM 0 HB1 ALA A 107 4.390 19.437 11.785 1.00 10.44 H new ATOM 0 HB2 ALA A 107 4.692 19.575 10.236 1.00 10.44 H new ATOM 0 HB3 ALA A 107 4.036 20.781 11.026 1.00 10.44 H new ATOM 827 N GLN A 108 1.642 18.595 12.633 1.00 15.40 N ATOM 828 CA GLN A 108 0.820 18.791 13.801 1.00 16.32 C ATOM 829 C GLN A 108 1.634 19.126 15.006 1.00 24.60 C ATOM 830 O GLN A 108 1.132 19.774 15.935 1.00 24.65 O ATOM 831 CB GLN A 108 0.065 17.527 14.174 1.00 25.51 C ATOM 832 CG GLN A 108 -1.035 17.052 13.208 1.00 45.13 C ATOM 833 CD GLN A 108 -1.793 18.144 12.441 1.00 62.29 C ATOM 834 OE1 GLN A 108 -2.053 19.222 13.005 1.00 61.01 O ATOM 835 NE2 GLN A 108 -2.104 17.903 11.136 1.00 66.64 N ATOM 0 H GLN A 108 1.997 17.817 12.542 1.00 15.40 H new ATOM 0 HA GLN A 108 0.218 19.514 13.565 1.00 16.32 H new ATOM 0 HB2 GLN A 108 0.710 16.809 14.271 1.00 25.51 H new ATOM 0 HB3 GLN A 108 -0.339 17.664 15.045 1.00 25.51 H new ATOM 0 HG2 GLN A 108 -0.632 16.451 12.562 1.00 45.13 H new ATOM 0 HG3 GLN A 108 -1.680 16.533 13.714 1.00 45.13 H new ATOM 0 HE21 GLN A 108 -1.908 17.145 10.780 1.00 66.64 H new ATOM 0 HE22 GLN A 108 -2.496 18.509 10.668 1.00 66.64 H new ATOM 836 N LYS A 109 2.898 18.673 15.027 1.00 20.35 N ATOM 837 CA LYS A 109 3.746 18.930 16.185 1.00 13.11 C ATOM 838 C LYS A 109 5.198 19.374 15.799 1.00 22.28 C ATOM 839 O LYS A 109 5.679 18.904 14.731 1.00 17.10 O ATOM 840 CB LYS A 109 3.706 17.552 16.782 1.00 16.63 C ATOM 841 CG LYS A 109 4.505 17.282 18.012 1.00 22.59 C ATOM 842 CD LYS A 109 4.025 16.005 18.678 1.00 25.28 C ATOM 843 CE LYS A 109 4.815 15.748 19.976 1.00 43.19 C ATOM 844 NZ LYS A 109 4.710 14.436 20.671 1.00 38.91 N ATOM 0 H LYS A 109 3.270 18.226 14.393 1.00 20.35 H new ATOM 0 HA LYS A 109 3.460 19.656 16.761 1.00 13.11 H new ATOM 0 HB2 LYS A 109 2.780 17.344 16.981 1.00 16.63 H new ATOM 0 HB3 LYS A 109 3.996 16.927 16.099 1.00 16.63 H new ATOM 0 HG2 LYS A 109 5.445 17.203 17.785 1.00 22.59 H new ATOM 0 HG3 LYS A 109 4.424 18.027 18.628 1.00 22.59 H new ATOM 0 HD2 LYS A 109 3.078 16.073 18.877 1.00 25.28 H new ATOM 0 HD3 LYS A 109 4.135 15.256 18.072 1.00 25.28 H new ATOM 0 HE2 LYS A 109 5.753 15.892 19.775 1.00 43.19 H new ATOM 0 HE3 LYS A 109 4.553 16.432 20.612 1.00 43.19 H new ATOM 0 HZ1 LYS A 109 4.870 14.546 21.539 1.00 38.91 H new ATOM 0 HZ2 LYS A 109 3.891 14.106 20.560 1.00 38.91 H new ATOM 0 HZ3 LYS A 109 5.306 13.870 20.329 1.00 38.91 H new ATOM 845 N LEU A 110 5.854 20.226 16.621 1.00 12.88 N ATOM 846 CA LEU A 110 7.245 20.709 16.411 1.00 13.76 C ATOM 847 C LEU A 110 8.027 20.349 17.651 1.00 17.90 C ATOM 848 O LEU A 110 7.612 20.553 18.766 1.00 16.97 O ATOM 849 CB LEU A 110 7.280 22.176 16.301 1.00 15.45 C ATOM 850 CG LEU A 110 6.498 22.731 15.098 1.00 19.70 C ATOM 851 CD1 LEU A 110 6.686 24.213 15.177 1.00 14.46 C ATOM 852 CD2 LEU A 110 6.980 22.172 13.708 1.00 18.62 C ATOM 0 H LEU A 110 5.493 20.546 17.333 1.00 12.88 H new ATOM 0 HA LEU A 110 7.604 20.313 15.601 1.00 13.76 H new ATOM 0 HB2 LEU A 110 6.919 22.561 17.115 1.00 15.45 H new ATOM 0 HB3 LEU A 110 8.204 22.464 16.236 1.00 15.45 H new ATOM 0 HG LEU A 110 5.568 22.459 15.146 1.00 19.70 H new ATOM 0 HD11 LEU A 110 6.216 24.639 14.443 1.00 14.46 H new ATOM 0 HD12 LEU A 110 6.332 24.540 16.019 1.00 14.46 H new ATOM 0 HD13 LEU A 110 7.631 24.423 15.121 1.00 14.46 H new ATOM 0 HD21 LEU A 110 6.446 22.563 12.999 1.00 18.62 H new ATOM 0 HD22 LEU A 110 7.913 22.401 13.573 1.00 18.62 H new ATOM 0 HD23 LEU A 110 6.879 21.207 13.694 1.00 18.62 H new ATOM 853 N TYR A 111 9.159 19.764 17.466 1.00 20.07 N ATOM 854 CA TYR A 111 10.049 19.395 18.548 1.00 9.94 C ATOM 855 C TYR A 111 11.231 20.299 18.218 1.00 18.66 C ATOM 856 O TYR A 111 11.979 19.996 17.263 1.00 15.50 O ATOM 857 CB TYR A 111 10.558 17.951 18.471 1.00 10.31 C ATOM 858 CG TYR A 111 9.562 16.803 18.618 1.00 13.94 C ATOM 859 CD1 TYR A 111 8.675 16.475 17.589 1.00 18.68 C ATOM 860 CD2 TYR A 111 9.532 15.982 19.760 1.00 11.50 C ATOM 861 CE1 TYR A 111 7.784 15.399 17.700 1.00 17.86 C ATOM 862 CE2 TYR A 111 8.646 14.884 19.895 1.00 15.74 C ATOM 863 CZ TYR A 111 7.751 14.588 18.849 1.00 19.95 C ATOM 864 OH TYR A 111 6.890 13.522 18.927 1.00 15.01 O ATOM 0 H TYR A 111 9.458 19.555 16.687 1.00 20.07 H new ATOM 0 HA TYR A 111 9.626 19.476 19.417 1.00 9.94 H new ATOM 0 HB2 TYR A 111 11.004 17.843 17.616 1.00 10.31 H new ATOM 0 HB3 TYR A 111 11.233 17.842 19.159 1.00 10.31 H new ATOM 0 HD1 TYR A 111 8.676 16.984 16.811 1.00 18.68 H new ATOM 0 HD2 TYR A 111 10.119 16.168 20.457 1.00 11.50 H new ATOM 0 HE1 TYR A 111 7.201 15.217 16.998 1.00 17.86 H new ATOM 0 HE2 TYR A 111 8.656 14.364 20.666 1.00 15.74 H new ATOM 0 HH TYR A 111 6.332 13.566 18.300 1.00 15.01 H new ATOM 865 N LEU A 112 11.372 21.361 18.960 1.00 11.49 N ATOM 866 CA LEU A 112 12.426 22.311 18.716 1.00 17.99 C ATOM 867 C LEU A 112 13.489 22.477 19.793 1.00 23.07 C ATOM 868 O LEU A 112 13.191 22.394 20.997 1.00 19.83 O ATOM 869 CB LEU A 112 11.809 23.700 18.556 1.00 11.35 C ATOM 870 CG LEU A 112 10.639 23.697 17.650 1.00 11.61 C ATOM 871 CD1 LEU A 112 10.323 25.170 17.633 1.00 12.20 C ATOM 872 CD2 LEU A 112 11.232 23.336 16.297 1.00 22.53 C ATOM 0 H LEU A 112 10.861 21.557 19.623 1.00 11.49 H new ATOM 0 HA LEU A 112 12.869 21.948 17.933 1.00 17.99 H new ATOM 0 HB2 LEU A 112 11.540 24.034 19.426 1.00 11.35 H new ATOM 0 HB3 LEU A 112 12.479 24.311 18.212 1.00 11.35 H new ATOM 0 HG LEU A 112 9.889 23.124 17.873 1.00 11.61 H new ATOM 0 HD11 LEU A 112 9.555 25.330 17.063 1.00 12.20 H new ATOM 0 HD12 LEU A 112 10.124 25.469 18.534 1.00 12.20 H new ATOM 0 HD13 LEU A 112 11.086 25.661 17.291 1.00 12.20 H new ATOM 0 HD21 LEU A 112 10.527 23.310 15.631 1.00 22.53 H new ATOM 0 HD22 LEU A 112 11.891 24.002 16.044 1.00 22.53 H new ATOM 0 HD23 LEU A 112 11.657 22.466 16.351 1.00 22.53 H new ATOM 873 N THR A 113 14.727 22.726 19.398 1.00 10.65 N ATOM 874 CA THR A 113 15.712 22.955 20.435 1.00 10.81 C ATOM 875 C THR A 113 16.160 24.365 20.285 1.00 11.26 C ATOM 876 O THR A 113 16.726 24.674 19.246 1.00 24.02 O ATOM 877 CB THR A 113 16.916 22.022 20.507 1.00 8.23 C ATOM 878 OG1 THR A 113 16.517 20.743 20.567 1.00 10.52 O ATOM 879 CG2 THR A 113 17.981 22.337 21.559 1.00 11.12 C ATOM 0 H THR A 113 15.005 22.765 18.585 1.00 10.65 H new ATOM 0 HA THR A 113 15.264 22.761 21.273 1.00 10.81 H new ATOM 0 HB THR A 113 17.390 22.187 19.677 1.00 8.23 H new ATOM 0 HG1 THR A 113 17.149 20.241 20.336 1.00 10.52 H new ATOM 0 HG21 THR A 113 18.691 21.678 21.508 1.00 11.12 H new ATOM 0 HG22 THR A 113 18.347 23.220 21.395 1.00 11.12 H new ATOM 0 HG23 THR A 113 17.581 22.312 22.442 1.00 11.12 H new ATOM 880 N HIS A 114 15.955 25.264 21.242 1.00 17.35 N ATOM 881 CA HIS A 114 16.440 26.631 21.026 1.00 19.68 C ATOM 882 C HIS A 114 17.798 26.796 21.652 1.00 28.25 C ATOM 883 O HIS A 114 18.004 26.645 22.853 1.00 14.32 O ATOM 884 CB HIS A 114 15.570 27.695 21.612 1.00 13.40 C ATOM 885 CG HIS A 114 14.172 27.524 21.145 1.00 16.23 C ATOM 886 ND1 HIS A 114 13.680 28.265 20.081 1.00 20.39 N ATOM 887 CD2 HIS A 114 13.174 26.719 21.625 1.00 22.12 C ATOM 888 CE1 HIS A 114 12.416 27.892 19.934 1.00 19.73 C ATOM 889 NE2 HIS A 114 12.078 26.961 20.841 1.00 17.89 N ATOM 0 H HIS A 114 15.557 25.118 21.991 1.00 17.35 H new ATOM 0 HA HIS A 114 16.450 26.742 20.062 1.00 19.68 H new ATOM 0 HB2 HIS A 114 15.603 27.653 22.581 1.00 13.40 H new ATOM 0 HB3 HIS A 114 15.900 28.570 21.355 1.00 13.40 H new ATOM 0 HD2 HIS A 114 13.229 26.127 22.340 1.00 22.12 H new ATOM 0 HE1 HIS A 114 11.839 28.231 19.288 1.00 19.73 H new ATOM 0 HE2 HIS A 114 11.309 26.584 20.916 1.00 17.89 H new ATOM 890 N ILE A 115 18.735 27.109 20.823 1.00 15.39 N ATOM 891 CA ILE A 115 20.074 27.248 21.327 1.00 14.14 C ATOM 892 C ILE A 115 20.450 28.663 21.531 1.00 16.24 C ATOM 893 O ILE A 115 20.203 29.517 20.667 1.00 18.05 O ATOM 894 CB ILE A 115 21.009 26.588 20.273 1.00 15.23 C ATOM 895 CG1 ILE A 115 20.635 25.132 20.003 1.00 9.60 C ATOM 896 CG2 ILE A 115 22.484 26.786 20.650 1.00 21.05 C ATOM 897 CD1 ILE A 115 21.388 24.492 18.838 1.00 15.58 C ATOM 0 H ILE A 115 18.634 27.245 19.980 1.00 15.39 H new ATOM 0 HA ILE A 115 20.148 26.822 22.195 1.00 14.14 H new ATOM 0 HB ILE A 115 20.879 27.042 19.426 1.00 15.23 H new ATOM 0 HG12 ILE A 115 20.801 24.613 20.805 1.00 9.60 H new ATOM 0 HG13 ILE A 115 19.683 25.082 19.825 1.00 9.60 H new ATOM 0 HG21 ILE A 115 23.048 26.368 19.981 1.00 21.05 H new ATOM 0 HG22 ILE A 115 22.683 27.734 20.693 1.00 21.05 H new ATOM 0 HG23 ILE A 115 22.654 26.381 21.515 1.00 21.05 H new ATOM 0 HD11 ILE A 115 21.097 23.573 18.730 1.00 15.58 H new ATOM 0 HD12 ILE A 115 21.205 24.986 18.024 1.00 15.58 H new ATOM 0 HD13 ILE A 115 22.341 24.510 19.019 1.00 15.58 H new ATOM 898 N ASP A 116 21.063 28.959 22.652 1.00 19.56 N ATOM 899 CA ASP A 116 21.416 30.321 22.821 1.00 15.13 C ATOM 900 C ASP A 116 22.761 30.662 22.153 1.00 17.32 C ATOM 901 O ASP A 116 23.799 30.798 22.816 1.00 16.79 O ATOM 902 CB ASP A 116 21.532 30.673 24.280 1.00 12.21 C ATOM 903 CG ASP A 116 20.228 30.605 25.035 1.00 18.41 C ATOM 904 OD1 ASP A 116 19.256 31.158 24.422 1.00 17.41 O ATOM 905 OD2 ASP A 116 20.066 29.859 25.933 1.00 19.59 O ATOM 0 H ASP A 116 21.270 28.417 23.287 1.00 19.56 H new ATOM 0 HA ASP A 116 20.707 30.832 22.400 1.00 15.13 H new ATOM 0 HB2 ASP A 116 22.169 30.072 24.698 1.00 12.21 H new ATOM 0 HB3 ASP A 116 21.894 31.569 24.359 1.00 12.21 H new ATOM 906 N ALA A 117 22.725 30.819 20.850 1.00 25.09 N ATOM 907 CA ALA A 117 23.878 31.140 20.017 1.00 15.86 C ATOM 908 C ALA A 117 23.407 32.045 18.873 1.00 22.25 C ATOM 909 O ALA A 117 22.277 31.975 18.341 1.00 23.62 O ATOM 910 CB ALA A 117 24.544 29.837 19.545 1.00 11.32 C ATOM 0 H ALA A 117 21.998 30.739 20.398 1.00 25.09 H new ATOM 0 HA ALA A 117 24.557 31.627 20.509 1.00 15.86 H new ATOM 0 HB1 ALA A 117 25.311 30.048 18.991 1.00 11.32 H new ATOM 0 HB2 ALA A 117 24.834 29.324 20.316 1.00 11.32 H new ATOM 0 HB3 ALA A 117 23.908 29.316 19.031 1.00 11.32 H new ATOM 911 N GLU A 118 24.288 32.974 18.544 1.00 27.05 N ATOM 912 CA GLU A 118 24.127 33.921 17.454 1.00 34.73 C ATOM 913 C GLU A 118 25.225 33.519 16.410 1.00 35.83 C ATOM 914 O GLU A 118 26.436 33.615 16.639 1.00 34.87 O ATOM 915 CB GLU A 118 24.204 35.430 17.748 1.00 38.13 C ATOM 916 CG GLU A 118 25.640 35.899 18.041 0.00 23.34 C ATOM 917 CD GLU A 118 25.746 37.383 18.232 0.00 20.17 C ATOM 918 OE1 GLU A 118 25.486 38.189 17.358 0.00 20.00 O ATOM 919 OE2 GLU A 118 26.085 37.713 19.453 0.00 20.00 O ATOM 0 H GLU A 118 25.029 33.075 18.968 1.00 27.05 H new ATOM 0 HA GLU A 118 23.206 33.844 17.160 1.00 34.73 H new ATOM 0 HB2 GLU A 118 23.854 35.923 16.989 1.00 38.13 H new ATOM 0 HB3 GLU A 118 23.637 35.638 18.507 1.00 38.13 H new ATOM 0 HG2 GLU A 118 25.964 35.452 18.838 0.00 23.34 H new ATOM 0 HG3 GLU A 118 26.218 35.630 17.310 0.00 23.34 H new ATOM 920 N VAL A 119 24.793 33.026 15.260 1.00 35.18 N ATOM 921 CA VAL A 119 25.713 32.620 14.211 1.00 30.22 C ATOM 922 C VAL A 119 25.250 33.074 12.848 1.00 38.10 C ATOM 923 O VAL A 119 24.058 33.362 12.624 1.00 38.00 O ATOM 924 CB VAL A 119 26.128 31.151 14.230 1.00 32.19 C ATOM 925 CG1 VAL A 119 26.293 30.746 15.658 1.00 42.08 C ATOM 926 CG2 VAL A 119 25.080 30.215 13.722 1.00 32.78 C ATOM 0 H VAL A 119 23.962 32.918 15.066 1.00 35.18 H new ATOM 0 HA VAL A 119 26.535 33.090 14.419 1.00 30.22 H new ATOM 0 HB VAL A 119 26.921 31.092 13.675 1.00 32.19 H new ATOM 0 HG11 VAL A 119 26.557 29.814 15.702 1.00 42.08 H new ATOM 0 HG12 VAL A 119 26.976 31.295 16.073 1.00 42.08 H new ATOM 0 HG13 VAL A 119 25.453 30.866 16.128 1.00 42.08 H new ATOM 0 HG21 VAL A 119 25.412 29.304 13.763 1.00 32.78 H new ATOM 0 HG22 VAL A 119 24.283 30.293 14.269 1.00 32.78 H new ATOM 0 HG23 VAL A 119 24.864 30.439 12.803 1.00 32.78 H new ATOM 927 N GLU A 120 26.219 33.150 11.936 1.00 41.34 N ATOM 928 CA GLU A 120 25.917 33.550 10.581 1.00 39.31 C ATOM 929 C GLU A 120 25.413 32.305 9.866 1.00 29.99 C ATOM 930 O GLU A 120 26.023 31.225 9.921 1.00 35.73 O ATOM 931 CB GLU A 120 27.179 34.073 9.877 1.00 52.78 C ATOM 932 CG GLU A 120 27.580 35.479 10.325 1.00 68.46 C ATOM 933 CD GLU A 120 26.545 36.487 9.918 1.00 79.73 C ATOM 934 OE1 GLU A 120 25.339 36.259 9.964 1.00 79.73 O ATOM 935 OE2 GLU A 120 27.089 37.604 9.466 1.00 84.62 O ATOM 0 H GLU A 120 27.047 32.974 12.087 1.00 41.34 H new ATOM 0 HA GLU A 120 25.258 34.262 10.572 1.00 39.31 H new ATOM 0 HB2 GLU A 120 27.914 33.463 10.048 1.00 52.78 H new ATOM 0 HB3 GLU A 120 27.030 34.075 8.919 1.00 52.78 H new ATOM 0 HG2 GLU A 120 27.692 35.496 11.288 1.00 68.46 H new ATOM 0 HG3 GLU A 120 28.437 35.714 9.936 1.00 68.46 H new ATOM 936 N GLY A 121 24.298 32.339 9.174 1.00 22.63 N ATOM 937 CA GLY A 121 24.001 31.047 8.578 1.00 26.33 C ATOM 938 C GLY A 121 23.263 31.200 7.300 1.00 21.56 C ATOM 939 O GLY A 121 22.760 32.263 6.991 1.00 29.02 O ATOM 0 H GLY A 121 23.759 32.996 9.043 1.00 22.63 H new ATOM 0 HA2 GLY A 121 24.827 30.563 8.421 1.00 26.33 H new ATOM 0 HA3 GLY A 121 23.475 30.516 9.196 1.00 26.33 H new ATOM 940 N ASP A 122 23.170 30.170 6.545 1.00 17.38 N ATOM 941 CA ASP A 122 22.451 30.484 5.363 1.00 22.47 C ATOM 942 C ASP A 122 21.141 29.744 5.218 1.00 24.08 C ATOM 943 O ASP A 122 20.499 29.823 4.184 1.00 24.00 O ATOM 944 CB ASP A 122 23.410 30.208 4.189 1.00 32.40 C ATOM 945 CG ASP A 122 23.840 28.776 4.175 1.00 41.29 C ATOM 946 OD1 ASP A 122 23.441 27.970 5.026 1.00 41.22 O ATOM 947 OD2 ASP A 122 24.677 28.498 3.183 1.00 42.66 O ATOM 0 H ASP A 122 23.470 29.373 6.663 1.00 17.38 H new ATOM 0 HA ASP A 122 22.177 31.414 5.389 1.00 22.47 H new ATOM 0 HB2 ASP A 122 22.973 30.426 3.351 1.00 32.40 H new ATOM 0 HB3 ASP A 122 24.188 30.782 4.261 1.00 32.40 H new ATOM 948 N THR A 123 20.743 29.013 6.239 1.00 19.53 N ATOM 949 CA THR A 123 19.523 28.287 6.122 1.00 17.33 C ATOM 950 C THR A 123 18.784 28.542 7.446 1.00 20.12 C ATOM 951 O THR A 123 19.437 28.444 8.481 1.00 19.42 O ATOM 952 CB THR A 123 19.915 26.789 6.010 1.00 16.06 C ATOM 953 OG1 THR A 123 20.775 26.650 4.932 1.00 24.19 O ATOM 954 CG2 THR A 123 18.730 25.947 5.630 1.00 16.32 C ATOM 0 H THR A 123 21.159 28.930 6.987 1.00 19.53 H new ATOM 0 HA THR A 123 18.975 28.539 5.362 1.00 17.33 H new ATOM 0 HB THR A 123 20.289 26.518 6.863 1.00 16.06 H new ATOM 0 HG1 THR A 123 21.532 26.950 5.137 1.00 24.19 H new ATOM 0 HG21 THR A 123 19.000 25.018 5.567 1.00 16.32 H new ATOM 0 HG22 THR A 123 18.039 26.037 6.305 1.00 16.32 H new ATOM 0 HG23 THR A 123 18.385 26.242 4.773 1.00 16.32 H new ATOM 955 N HIS A 124 17.505 28.865 7.356 1.00 16.47 N ATOM 956 CA HIS A 124 16.621 29.155 8.523 1.00 16.95 C ATOM 957 C HIS A 124 15.464 28.202 8.691 1.00 20.37 C ATOM 958 O HIS A 124 14.951 27.566 7.729 1.00 18.37 O ATOM 959 CB HIS A 124 15.957 30.483 8.297 1.00 14.77 C ATOM 960 CG HIS A 124 17.055 31.409 8.183 1.00 22.95 C ATOM 961 ND1 HIS A 124 17.785 31.463 7.020 1.00 24.35 N ATOM 962 CD2 HIS A 124 17.576 32.305 9.070 1.00 24.88 C ATOM 963 CE1 HIS A 124 18.741 32.401 7.214 1.00 22.22 C ATOM 964 NE2 HIS A 124 18.649 32.931 8.442 1.00 19.78 N ATOM 0 H HIS A 124 17.097 28.929 6.601 1.00 16.47 H new ATOM 0 HA HIS A 124 17.203 29.100 9.297 1.00 16.95 H new ATOM 0 HB2 HIS A 124 15.414 30.476 7.493 1.00 14.77 H new ATOM 0 HB3 HIS A 124 15.371 30.717 9.034 1.00 14.77 H new ATOM 0 HD1 HIS A 124 17.659 30.994 6.310 1.00 24.35 H new ATOM 0 HD2 HIS A 124 17.271 32.467 9.933 1.00 24.88 H new ATOM 0 HE1 HIS A 124 19.377 32.645 6.580 1.00 22.22 H new ATOM 965 N PHE A 125 14.993 28.079 9.944 1.00 17.06 N ATOM 966 CA PHE A 125 13.856 27.211 10.003 1.00 14.75 C ATOM 967 C PHE A 125 12.716 28.143 9.536 1.00 13.20 C ATOM 968 O PHE A 125 12.848 29.395 9.682 1.00 15.81 O ATOM 969 CB PHE A 125 13.680 26.835 11.478 1.00 13.03 C ATOM 970 CG PHE A 125 12.510 25.932 11.745 1.00 8.98 C ATOM 971 CD1 PHE A 125 12.593 24.557 11.558 1.00 11.72 C ATOM 972 CD2 PHE A 125 11.322 26.474 12.230 1.00 16.97 C ATOM 973 CE1 PHE A 125 11.523 23.694 11.818 1.00 16.81 C ATOM 974 CE2 PHE A 125 10.249 25.625 12.506 1.00 15.76 C ATOM 975 CZ PHE A 125 10.331 24.253 12.296 1.00 8.84 C ATOM 0 H PHE A 125 15.281 28.441 10.669 1.00 17.06 H new ATOM 0 HA PHE A 125 13.906 26.396 9.480 1.00 14.75 H new ATOM 0 HB2 PHE A 125 14.489 26.401 11.790 1.00 13.03 H new ATOM 0 HB3 PHE A 125 13.575 27.647 11.998 1.00 13.03 H new ATOM 0 HD1 PHE A 125 13.392 24.196 11.248 1.00 11.72 H new ATOM 0 HD2 PHE A 125 11.245 27.390 12.368 1.00 16.97 H new ATOM 0 HE1 PHE A 125 11.601 22.778 11.678 1.00 16.81 H new ATOM 0 HE2 PHE A 125 9.459 25.986 12.839 1.00 15.76 H new ATOM 0 HZ PHE A 125 9.598 23.709 12.472 1.00 8.84 H new ATOM 976 N PRO A 126 11.570 27.631 8.968 1.00 13.11 N ATOM 977 CA PRO A 126 10.489 28.543 8.544 1.00 15.80 C ATOM 978 C PRO A 126 9.919 29.321 9.733 1.00 23.41 C ATOM 979 O PRO A 126 9.897 28.841 10.873 1.00 24.34 O ATOM 980 CB PRO A 126 9.370 27.651 8.070 1.00 11.69 C ATOM 981 CG PRO A 126 9.872 26.240 8.112 1.00 15.84 C ATOM 982 CD PRO A 126 11.192 26.216 8.874 1.00 11.62 C ATOM 0 HA PRO A 126 10.828 29.164 7.880 1.00 15.80 H new ATOM 0 HB2 PRO A 126 8.589 27.753 8.636 1.00 11.69 H new ATOM 0 HB3 PRO A 126 9.100 27.891 7.170 1.00 11.69 H new ATOM 0 HG2 PRO A 126 9.223 25.664 8.545 1.00 15.84 H new ATOM 0 HG3 PRO A 126 9.997 25.900 7.212 1.00 15.84 H new ATOM 0 HD2 PRO A 126 11.089 25.816 9.752 1.00 11.62 H new ATOM 0 HD3 PRO A 126 11.865 25.699 8.404 1.00 11.62 H new ATOM 983 N ASP A 127 9.463 30.537 9.458 1.00 26.73 N ATOM 984 CA ASP A 127 8.886 31.402 10.472 1.00 29.14 C ATOM 985 C ASP A 127 7.600 30.771 10.942 1.00 31.31 C ATOM 986 O ASP A 127 6.846 30.226 10.165 1.00 35.91 O ATOM 987 CB ASP A 127 8.477 32.721 9.852 1.00 44.24 C ATOM 988 CG ASP A 127 8.533 33.852 10.817 1.00 53.83 C ATOM 989 OD1 ASP A 127 8.928 33.505 12.031 1.00 55.89 O ATOM 990 OD2 ASP A 127 8.359 34.995 10.440 1.00 56.70 O ATOM 0 H ASP A 127 9.481 30.884 8.671 1.00 26.73 H new ATOM 0 HA ASP A 127 9.534 31.529 11.183 1.00 29.14 H new ATOM 0 HB2 ASP A 127 9.058 32.914 9.099 1.00 44.24 H new ATOM 0 HB3 ASP A 127 7.576 32.644 9.502 1.00 44.24 H new ATOM 991 N TYR A 128 7.322 30.800 12.200 1.00 23.20 N ATOM 992 CA TYR A 128 6.090 30.182 12.616 1.00 27.26 C ATOM 993 C TYR A 128 5.536 31.193 13.605 1.00 30.32 C ATOM 994 O TYR A 128 6.292 31.975 14.193 1.00 29.97 O ATOM 995 CB TYR A 128 6.201 28.706 13.121 1.00 24.42 C ATOM 996 CG TYR A 128 7.145 28.701 14.273 1.00 28.52 C ATOM 997 CD1 TYR A 128 8.514 28.600 14.067 1.00 25.01 C ATOM 998 CD2 TYR A 128 6.669 28.891 15.575 1.00 32.21 C ATOM 999 CE1 TYR A 128 9.380 28.663 15.151 1.00 30.63 C ATOM 1000 CE2 TYR A 128 7.529 28.961 16.672 1.00 26.85 C ATOM 1001 CZ TYR A 128 8.904 28.832 16.453 1.00 35.95 C ATOM 1002 OH TYR A 128 9.798 28.896 17.519 1.00 28.61 O ATOM 0 H TYR A 128 7.803 31.154 12.819 1.00 23.20 H new ATOM 0 HA TYR A 128 5.484 30.019 11.877 1.00 27.26 H new ATOM 0 HB2 TYR A 128 5.332 28.370 13.390 1.00 24.42 H new ATOM 0 HB3 TYR A 128 6.522 28.126 12.413 1.00 24.42 H new ATOM 0 HD1 TYR A 128 8.850 28.491 13.207 1.00 25.01 H new ATOM 0 HD2 TYR A 128 5.753 28.973 15.713 1.00 32.21 H new ATOM 0 HE1 TYR A 128 10.296 28.591 15.007 1.00 30.63 H new ATOM 0 HE2 TYR A 128 7.195 29.091 17.530 1.00 26.85 H new ATOM 0 HH TYR A 128 9.373 28.999 18.236 1.00 28.61 H new ATOM 1003 N GLU A 129 4.233 31.206 13.719 1.00 35.32 N ATOM 1004 CA GLU A 129 3.514 32.098 14.583 1.00 34.23 C ATOM 1005 C GLU A 129 3.234 31.298 15.832 1.00 32.21 C ATOM 1006 O GLU A 129 2.572 30.299 15.830 1.00 29.23 O ATOM 1007 CB GLU A 129 2.202 32.391 13.885 1.00 43.83 C ATOM 1008 CG GLU A 129 1.463 33.567 14.506 1.00 52.34 C ATOM 1009 CD GLU A 129 2.246 34.846 14.378 1.00 58.91 C ATOM 1010 OE1 GLU A 129 2.335 35.338 13.150 1.00 61.99 O ATOM 1011 OE2 GLU A 129 2.849 35.287 15.313 1.00 53.84 O ATOM 0 H GLU A 129 3.722 30.674 13.277 1.00 35.32 H new ATOM 0 HA GLU A 129 3.987 32.921 14.785 1.00 34.23 H new ATOM 0 HB2 GLU A 129 2.372 32.577 12.948 1.00 43.83 H new ATOM 0 HB3 GLU A 129 1.637 31.603 13.920 1.00 43.83 H new ATOM 0 HG2 GLU A 129 0.600 33.671 14.076 1.00 52.34 H new ATOM 0 HG3 GLU A 129 1.292 33.384 15.443 1.00 52.34 H new ATOM 1012 N PRO A 130 3.754 31.719 16.901 1.00 37.65 N ATOM 1013 CA PRO A 130 3.589 31.018 18.162 1.00 43.28 C ATOM 1014 C PRO A 130 2.176 30.789 18.662 1.00 42.22 C ATOM 1015 O PRO A 130 1.852 29.763 19.296 1.00 45.67 O ATOM 1016 CB PRO A 130 4.392 31.837 19.149 1.00 47.13 C ATOM 1017 CG PRO A 130 5.186 32.862 18.328 1.00 46.03 C ATOM 1018 CD PRO A 130 4.716 32.833 16.892 1.00 39.05 C ATOM 0 HA PRO A 130 3.890 30.104 18.043 1.00 43.28 H new ATOM 0 HB2 PRO A 130 3.808 32.282 19.783 1.00 47.13 H new ATOM 0 HB3 PRO A 130 4.989 31.270 19.662 1.00 47.13 H new ATOM 0 HG2 PRO A 130 5.067 33.750 18.699 1.00 46.03 H new ATOM 0 HG3 PRO A 130 6.134 32.661 18.372 1.00 46.03 H new ATOM 0 HD2 PRO A 130 4.300 33.669 16.630 1.00 39.05 H new ATOM 0 HD3 PRO A 130 5.447 32.675 16.275 1.00 39.05 H new ATOM 1019 N ASP A 131 1.330 31.763 18.379 1.00 46.59 N ATOM 1020 CA ASP A 131 -0.073 31.713 18.788 1.00 55.98 C ATOM 1021 C ASP A 131 -0.873 30.633 18.097 1.00 44.09 C ATOM 1022 O ASP A 131 -2.035 30.409 18.407 1.00 49.17 O ATOM 1023 CB ASP A 131 -0.787 33.076 18.624 1.00 76.36 C ATOM 1024 CG ASP A 131 -0.506 34.110 19.722 1.00 93.30 C ATOM 1025 OD1 ASP A 131 0.225 33.633 20.749 1.00 95.14 O ATOM 1026 OD2 ASP A 131 -0.961 35.275 19.663 1.00 99.86 O ATOM 0 H ASP A 131 1.546 32.473 17.945 1.00 46.59 H new ATOM 0 HA ASP A 131 -0.038 31.489 19.731 1.00 55.98 H new ATOM 0 HB2 ASP A 131 -0.529 33.457 17.770 1.00 76.36 H new ATOM 0 HB3 ASP A 131 -1.744 32.919 18.587 1.00 76.36 H new ATOM 1027 N ASP A 132 -0.234 29.989 17.142 1.00 34.24 N ATOM 1028 CA ASP A 132 -0.850 28.945 16.411 1.00 30.87 C ATOM 1029 C ASP A 132 -0.474 27.628 17.019 1.00 23.50 C ATOM 1030 O ASP A 132 -0.967 26.579 16.630 1.00 28.27 O ATOM 1031 CB ASP A 132 -0.402 28.961 14.954 1.00 36.63 C ATOM 1032 CG ASP A 132 -0.827 30.178 14.206 1.00 47.61 C ATOM 1033 OD1 ASP A 132 -1.775 30.888 14.490 1.00 50.98 O ATOM 1034 OD2 ASP A 132 -0.052 30.378 13.190 1.00 49.74 O ATOM 0 H ASP A 132 0.576 30.157 16.908 1.00 34.24 H new ATOM 0 HA ASP A 132 -1.811 29.073 16.444 1.00 30.87 H new ATOM 0 HB2 ASP A 132 0.565 28.893 14.921 1.00 36.63 H new ATOM 0 HB3 ASP A 132 -0.757 28.177 14.507 1.00 36.63 H new ATOM 1035 N TRP A 133 0.430 27.695 17.980 1.00 21.22 N ATOM 1036 CA TRP A 133 0.880 26.485 18.630 1.00 17.32 C ATOM 1037 C TRP A 133 0.801 26.591 20.135 1.00 28.13 C ATOM 1038 O TRP A 133 0.967 27.682 20.730 1.00 33.28 O ATOM 1039 CB TRP A 133 2.393 26.311 18.277 1.00 22.90 C ATOM 1040 CG TRP A 133 2.598 26.179 16.795 1.00 18.75 C ATOM 1041 CD1 TRP A 133 2.703 27.221 15.915 1.00 19.27 C ATOM 1042 CD2 TRP A 133 2.698 24.942 15.989 1.00 15.17 C ATOM 1043 NE1 TRP A 133 2.854 26.706 14.617 1.00 18.19 N ATOM 1044 CE2 TRP A 133 2.855 25.326 14.624 1.00 17.04 C ATOM 1045 CE3 TRP A 133 2.673 23.589 16.256 1.00 11.71 C ATOM 1046 CZ2 TRP A 133 2.994 24.348 13.579 1.00 12.60 C ATOM 1047 CZ3 TRP A 133 2.796 22.656 15.227 1.00 16.72 C ATOM 1048 CH2 TRP A 133 2.943 23.022 13.914 1.00 13.53 C ATOM 0 H TRP A 133 0.790 28.421 18.266 1.00 21.22 H new ATOM 0 HA TRP A 133 0.322 25.749 18.334 1.00 17.32 H new ATOM 0 HB2 TRP A 133 2.894 27.073 18.608 1.00 22.90 H new ATOM 0 HB3 TRP A 133 2.743 25.525 18.725 1.00 22.90 H new ATOM 0 HD1 TRP A 133 2.678 28.123 16.140 1.00 19.27 H new ATOM 0 HE1 TRP A 133 2.935 27.188 13.910 1.00 18.19 H new ATOM 0 HE3 TRP A 133 2.573 23.295 17.133 1.00 11.71 H new ATOM 0 HZ2 TRP A 133 3.116 24.611 12.695 1.00 12.60 H new ATOM 0 HZ3 TRP A 133 2.778 21.751 15.440 1.00 16.72 H new ATOM 0 HH2 TRP A 133 3.008 22.371 13.253 1.00 13.53 H new ATOM 1049 N GLU A 134 0.545 25.445 20.741 1.00 20.39 N ATOM 1050 CA GLU A 134 0.479 25.377 22.195 1.00 30.15 C ATOM 1051 C GLU A 134 1.809 24.695 22.673 1.00 26.96 C ATOM 1052 O GLU A 134 2.118 23.613 22.196 1.00 25.23 O ATOM 1053 CB GLU A 134 -0.728 24.517 22.678 1.00 37.01 C ATOM 1054 CG GLU A 134 -1.392 24.921 24.038 1.00 39.35 C ATOM 1055 CD GLU A 134 -2.533 24.035 24.421 0.00 23.38 C ATOM 1056 OE1 GLU A 134 -2.782 23.106 23.531 0.00 20.17 O ATOM 1057 OE2 GLU A 134 -3.155 24.181 25.456 0.00 20.17 O ATOM 0 H GLU A 134 0.407 24.699 20.336 1.00 20.39 H new ATOM 0 HA GLU A 134 0.366 26.269 22.559 1.00 30.15 H new ATOM 0 HB2 GLU A 134 -1.411 24.543 21.990 1.00 37.01 H new ATOM 0 HB3 GLU A 134 -0.432 23.596 22.749 1.00 37.01 H new ATOM 0 HG2 GLU A 134 -0.722 24.897 24.739 1.00 39.35 H new ATOM 0 HG3 GLU A 134 -1.707 25.837 23.978 1.00 39.35 H new ATOM 1058 N SER A 135 2.581 25.280 23.600 1.00 23.14 N ATOM 1059 CA SER A 135 3.831 24.701 24.118 1.00 21.64 C ATOM 1060 C SER A 135 3.374 23.662 25.095 1.00 24.23 C ATOM 1061 O SER A 135 2.834 23.974 26.178 1.00 27.58 O ATOM 1062 CB SER A 135 4.613 25.818 24.798 1.00 25.24 C ATOM 1063 OG SER A 135 5.894 25.407 25.124 1.00 26.88 O ATOM 0 H SER A 135 2.388 26.040 23.952 1.00 23.14 H new ATOM 0 HA SER A 135 4.410 24.311 23.444 1.00 21.64 H new ATOM 0 HB2 SER A 135 4.658 26.589 24.211 1.00 25.24 H new ATOM 0 HB3 SER A 135 4.147 26.100 25.601 1.00 25.24 H new ATOM 0 HG SER A 135 6.448 25.789 24.621 1.00 26.88 H new ATOM 1064 N VAL A 136 3.517 22.412 24.736 1.00 16.20 N ATOM 1065 CA VAL A 136 3.069 21.412 25.649 1.00 20.52 C ATOM 1066 C VAL A 136 4.150 20.965 26.613 1.00 34.39 C ATOM 1067 O VAL A 136 3.878 20.475 27.699 1.00 29.82 O ATOM 1068 CB VAL A 136 2.449 20.223 24.940 1.00 25.10 C ATOM 1069 CG1 VAL A 136 1.486 20.667 23.862 1.00 28.60 C ATOM 1070 CG2 VAL A 136 3.453 19.255 24.381 1.00 30.24 C ATOM 0 H VAL A 136 3.857 22.132 23.998 1.00 16.20 H new ATOM 0 HA VAL A 136 2.375 21.836 26.178 1.00 20.52 H new ATOM 0 HB VAL A 136 1.960 19.742 25.626 1.00 25.10 H new ATOM 0 HG11 VAL A 136 1.106 19.888 23.427 1.00 28.60 H new ATOM 0 HG12 VAL A 136 0.775 21.194 24.260 1.00 28.60 H new ATOM 0 HG13 VAL A 136 1.958 21.204 23.207 1.00 28.60 H new ATOM 0 HG21 VAL A 136 2.989 18.524 23.944 1.00 30.24 H new ATOM 0 HG22 VAL A 136 4.018 19.710 23.737 1.00 30.24 H new ATOM 0 HG23 VAL A 136 4.001 18.905 25.101 1.00 30.24 H new ATOM 1071 N PHE A 137 5.402 21.138 26.192 1.00 25.55 N ATOM 1072 CA PHE A 137 6.572 20.766 26.936 1.00 16.37 C ATOM 1073 C PHE A 137 7.692 21.760 26.676 1.00 20.66 C ATOM 1074 O PHE A 137 7.854 22.239 25.544 1.00 15.16 O ATOM 1075 CB PHE A 137 6.989 19.382 26.472 1.00 14.77 C ATOM 1076 CG PHE A 137 8.326 19.007 27.009 1.00 25.57 C ATOM 1077 CD1 PHE A 137 9.500 19.416 26.377 1.00 20.76 C ATOM 1078 CD2 PHE A 137 8.432 18.211 28.160 1.00 26.22 C ATOM 1079 CE1 PHE A 137 10.743 19.045 26.881 1.00 21.09 C ATOM 1080 CE2 PHE A 137 9.682 17.829 28.681 1.00 28.24 C ATOM 1081 CZ PHE A 137 10.840 18.256 28.023 1.00 20.61 C ATOM 0 H PHE A 137 5.587 21.492 25.430 1.00 25.55 H new ATOM 0 HA PHE A 137 6.384 20.765 27.888 1.00 16.37 H new ATOM 0 HB2 PHE A 137 6.330 18.731 26.759 1.00 14.77 H new ATOM 0 HB3 PHE A 137 7.010 19.357 25.503 1.00 14.77 H new ATOM 0 HD1 PHE A 137 9.452 19.942 25.611 1.00 20.76 H new ATOM 0 HD2 PHE A 137 7.657 17.929 28.589 1.00 26.22 H new ATOM 0 HE1 PHE A 137 11.517 19.327 26.450 1.00 21.09 H new ATOM 0 HE2 PHE A 137 9.737 17.304 29.447 1.00 28.24 H new ATOM 0 HZ PHE A 137 11.676 18.012 28.349 1.00 20.61 H new ATOM 1082 N SER A 138 8.418 22.083 27.742 1.00 20.24 N ATOM 1083 CA SER A 138 9.532 23.051 27.612 1.00 28.46 C ATOM 1084 C SER A 138 10.514 22.842 28.745 1.00 30.03 C ATOM 1085 O SER A 138 10.079 22.732 29.867 1.00 32.02 O ATOM 1086 CB SER A 138 9.077 24.461 27.427 1.00 29.12 C ATOM 1087 OG SER A 138 9.469 25.173 28.551 1.00 40.52 O ATOM 0 H SER A 138 8.296 21.769 28.533 1.00 20.24 H new ATOM 0 HA SER A 138 10.006 22.873 26.785 1.00 28.46 H new ATOM 0 HB2 SER A 138 9.468 24.844 26.626 1.00 29.12 H new ATOM 0 HB3 SER A 138 8.114 24.498 27.318 1.00 29.12 H new ATOM 0 HG SER A 138 9.227 25.974 28.474 1.00 40.52 H new ATOM 1088 N GLU A 139 11.814 22.750 28.496 1.00 19.43 N ATOM 1089 CA GLU A 139 12.814 22.494 29.552 1.00 24.75 C ATOM 1090 C GLU A 139 14.161 23.088 29.205 1.00 23.01 C ATOM 1091 O GLU A 139 14.831 22.658 28.255 1.00 28.94 O ATOM 1092 CB GLU A 139 13.046 20.982 29.551 1.00 20.66 C ATOM 1093 CG GLU A 139 13.788 20.416 30.750 1.00 31.76 C ATOM 1094 CD GLU A 139 13.979 18.907 30.619 1.00 46.56 C ATOM 1095 OE1 GLU A 139 14.529 18.479 29.490 1.00 43.94 O ATOM 1096 OE2 GLU A 139 13.644 18.135 31.490 1.00 53.08 O ATOM 0 H GLU A 139 12.152 22.833 27.710 1.00 19.43 H new ATOM 0 HA GLU A 139 12.491 22.867 30.387 1.00 24.75 H new ATOM 0 HB2 GLU A 139 12.184 20.541 29.490 1.00 20.66 H new ATOM 0 HB3 GLU A 139 13.540 20.750 28.749 1.00 20.66 H new ATOM 0 HG2 GLU A 139 14.653 20.848 30.832 1.00 31.76 H new ATOM 0 HG3 GLU A 139 13.294 20.613 31.561 1.00 31.76 H new ATOM 1097 N PHE A 140 14.550 24.063 29.970 1.00 22.21 N ATOM 1098 CA PHE A 140 15.800 24.745 29.765 1.00 18.54 C ATOM 1099 C PHE A 140 16.968 24.096 30.436 1.00 23.40 C ATOM 1100 O PHE A 140 16.865 23.581 31.528 1.00 19.86 O ATOM 1101 CB PHE A 140 15.663 26.175 30.289 1.00 10.25 C ATOM 1102 CG PHE A 140 16.958 26.907 30.283 1.00 29.82 C ATOM 1103 CD1 PHE A 140 17.430 27.493 29.096 1.00 34.02 C ATOM 1104 CD2 PHE A 140 17.757 26.998 31.431 1.00 26.57 C ATOM 1105 CE1 PHE A 140 18.650 28.174 29.047 1.00 25.81 C ATOM 1106 CE2 PHE A 140 18.971 27.683 31.395 1.00 25.09 C ATOM 1107 CZ PHE A 140 19.412 28.269 30.207 1.00 26.03 C ATOM 0 H PHE A 140 14.093 24.358 30.636 1.00 22.21 H new ATOM 0 HA PHE A 140 15.981 24.717 28.812 1.00 18.54 H new ATOM 0 HB2 PHE A 140 15.020 26.656 29.745 1.00 10.25 H new ATOM 0 HB3 PHE A 140 15.311 26.153 31.192 1.00 10.25 H new ATOM 0 HD1 PHE A 140 16.917 27.426 28.323 1.00 34.02 H new ATOM 0 HD2 PHE A 140 17.475 26.599 32.222 1.00 26.57 H new ATOM 0 HE1 PHE A 140 18.947 28.557 28.253 1.00 25.81 H new ATOM 0 HE2 PHE A 140 19.489 27.750 32.165 1.00 25.09 H new ATOM 0 HZ PHE A 140 20.222 28.726 30.191 1.00 26.03 H new ATOM 1108 N HIS A 141 18.094 24.143 29.758 1.00 19.30 N ATOM 1109 CA HIS A 141 19.348 23.627 30.247 1.00 21.90 C ATOM 1110 C HIS A 141 20.456 24.623 30.049 1.00 21.40 C ATOM 1111 O HIS A 141 20.547 25.298 28.975 1.00 21.57 O ATOM 1112 CB HIS A 141 19.809 22.399 29.496 1.00 11.72 C ATOM 1113 CG HIS A 141 18.830 21.349 29.733 1.00 23.20 C ATOM 1114 ND1 HIS A 141 18.979 20.419 30.772 1.00 21.93 N ATOM 1115 CD2 HIS A 141 17.676 21.115 29.067 1.00 23.67 C ATOM 1116 CE1 HIS A 141 17.912 19.631 30.673 1.00 28.91 C ATOM 1117 NE2 HIS A 141 17.122 20.006 29.657 1.00 23.86 N ATOM 0 H HIS A 141 18.151 24.489 28.973 1.00 19.30 H new ATOM 0 HA HIS A 141 19.182 23.426 31.181 1.00 21.90 H new ATOM 0 HB2 HIS A 141 19.885 22.587 28.547 1.00 11.72 H new ATOM 0 HB3 HIS A 141 20.687 22.122 29.801 1.00 11.72 H new ATOM 0 HD2 HIS A 141 17.329 21.604 28.356 1.00 23.67 H new ATOM 0 HE1 HIS A 141 17.737 18.912 31.236 1.00 28.91 H new ATOM 0 HE2 HIS A 141 16.393 19.618 29.416 1.00 23.86 H new ATOM 1118 N ASP A 142 21.310 24.727 31.073 1.00 23.45 N ATOM 1119 CA ASP A 142 22.473 25.655 31.020 1.00 18.35 C ATOM 1120 C ASP A 142 23.641 24.918 30.293 1.00 16.01 C ATOM 1121 O ASP A 142 23.703 23.690 30.224 1.00 16.96 O ATOM 1122 CB ASP A 142 23.087 25.987 32.392 1.00 25.52 C ATOM 1123 CG ASP A 142 22.334 26.777 33.437 1.00 44.29 C ATOM 1124 OD1 ASP A 142 21.892 27.961 33.059 1.00 41.92 O ATOM 1125 OD2 ASP A 142 22.336 26.412 34.602 1.00 58.91 O ATOM 0 H ASP A 142 21.244 24.279 31.804 1.00 23.45 H new ATOM 0 HA ASP A 142 22.138 26.461 30.598 1.00 18.35 H new ATOM 0 HB2 ASP A 142 23.330 25.142 32.802 1.00 25.52 H new ATOM 0 HB3 ASP A 142 23.913 26.466 32.220 1.00 25.52 H new ATOM 1126 N ALA A 143 24.615 25.634 29.753 1.00 17.35 N ATOM 1127 CA ALA A 143 25.707 24.898 29.108 1.00 17.64 C ATOM 1128 C ALA A 143 26.472 24.196 30.222 1.00 19.24 C ATOM 1129 O ALA A 143 26.341 24.513 31.402 1.00 24.70 O ATOM 1130 CB ALA A 143 26.624 25.952 28.477 1.00 15.45 C ATOM 0 H ALA A 143 24.671 26.492 29.743 1.00 17.35 H new ATOM 0 HA ALA A 143 25.396 24.262 28.445 1.00 17.64 H new ATOM 0 HB1 ALA A 143 27.367 25.512 28.035 1.00 15.45 H new ATOM 0 HB2 ALA A 143 26.123 26.470 27.828 1.00 15.45 H new ATOM 0 HB3 ALA A 143 26.963 26.542 29.168 1.00 15.45 H new ATOM 1131 N ASP A 144 27.284 23.249 29.905 1.00 21.54 N ATOM 1132 CA ASP A 144 28.016 22.575 30.919 1.00 14.83 C ATOM 1133 C ASP A 144 29.333 22.061 30.306 1.00 19.98 C ATOM 1134 O ASP A 144 29.785 22.477 29.207 1.00 19.57 O ATOM 1135 CB ASP A 144 27.119 21.493 31.521 1.00 18.40 C ATOM 1136 CG ASP A 144 26.742 20.442 30.549 1.00 25.14 C ATOM 1137 OD1 ASP A 144 27.396 20.099 29.598 1.00 25.25 O ATOM 1138 OD2 ASP A 144 25.675 19.851 30.935 1.00 22.50 O ATOM 0 H ASP A 144 27.431 22.975 29.103 1.00 21.54 H new ATOM 0 HA ASP A 144 28.269 23.155 31.654 1.00 14.83 H new ATOM 0 HB2 ASP A 144 27.576 21.082 32.272 1.00 18.40 H new ATOM 0 HB3 ASP A 144 26.314 21.906 31.871 1.00 18.40 H new ATOM 1139 N ALA A 145 29.955 21.191 30.987 1.00 12.97 N ATOM 1140 CA ALA A 145 31.215 20.706 30.473 1.00 20.98 C ATOM 1141 C ALA A 145 31.090 19.937 29.214 1.00 33.37 C ATOM 1142 O ALA A 145 32.085 19.696 28.518 1.00 28.34 O ATOM 1143 CB ALA A 145 31.797 19.718 31.415 1.00 23.26 C ATOM 0 H ALA A 145 29.696 20.857 31.736 1.00 12.97 H new ATOM 0 HA ALA A 145 31.747 21.506 30.341 1.00 20.98 H new ATOM 0 HB1 ALA A 145 32.642 19.396 31.065 1.00 23.26 H new ATOM 0 HB2 ALA A 145 31.944 20.139 32.276 1.00 23.26 H new ATOM 0 HB3 ALA A 145 31.186 18.972 31.520 1.00 23.26 H new ATOM 1144 N GLN A 146 29.880 19.520 28.950 1.00 29.64 N ATOM 1145 CA GLN A 146 29.718 18.769 27.761 1.00 26.71 C ATOM 1146 C GLN A 146 29.017 19.561 26.696 1.00 21.90 C ATOM 1147 O GLN A 146 29.226 19.260 25.567 1.00 23.64 O ATOM 1148 CB GLN A 146 28.885 17.512 28.075 1.00 32.27 C ATOM 1149 CG GLN A 146 29.557 16.623 29.133 1.00 48.01 C ATOM 1150 CD GLN A 146 28.805 15.327 29.302 1.00 75.06 C ATOM 1151 OE1 GLN A 146 29.152 14.435 30.109 1.00 82.51 O ATOM 1152 NE2 GLN A 146 27.735 15.229 28.522 1.00 84.79 N ATOM 0 H GLN A 146 29.175 19.655 29.424 1.00 29.64 H new ATOM 0 HA GLN A 146 30.599 18.530 27.432 1.00 26.71 H new ATOM 0 HB2 GLN A 146 28.006 17.778 28.388 1.00 32.27 H new ATOM 0 HB3 GLN A 146 28.753 17.001 27.261 1.00 32.27 H new ATOM 0 HG2 GLN A 146 30.473 16.438 28.872 1.00 48.01 H new ATOM 0 HG3 GLN A 146 29.593 17.093 29.981 1.00 48.01 H new ATOM 0 HE21 GLN A 146 27.536 15.869 27.983 1.00 84.79 H new ATOM 0 HE22 GLN A 146 27.241 14.526 28.556 1.00 84.79 H new ATOM 1153 N ASN A 147 28.188 20.546 27.058 1.00 16.13 N ATOM 1154 CA ASN A 147 27.416 21.344 26.115 1.00 18.04 C ATOM 1155 C ASN A 147 27.895 22.728 26.093 1.00 15.80 C ATOM 1156 O ASN A 147 27.806 23.392 27.081 1.00 16.21 O ATOM 1157 CB ASN A 147 25.929 21.170 26.612 1.00 17.99 C ATOM 1158 CG ASN A 147 25.544 19.688 26.533 1.00 15.62 C ATOM 1159 OD1 ASN A 147 25.264 19.140 25.452 1.00 19.62 O ATOM 1160 ND2 ASN A 147 25.631 18.935 27.619 1.00 19.08 N ATOM 0 H ASN A 147 28.060 20.769 27.879 1.00 16.13 H new ATOM 0 HA ASN A 147 27.500 21.064 25.190 1.00 18.04 H new ATOM 0 HB2 ASN A 147 25.841 21.490 27.523 1.00 17.99 H new ATOM 0 HB3 ASN A 147 25.329 21.701 26.065 1.00 17.99 H new ATOM 0 HD21 ASN A 147 25.495 18.087 27.567 1.00 19.08 H new ATOM 0 HD22 ASN A 147 25.823 19.294 28.377 1.00 19.08 H new ATOM 1161 N SER A 148 28.448 23.182 24.953 1.00 15.52 N ATOM 1162 CA SER A 148 29.030 24.513 24.831 1.00 13.96 C ATOM 1163 C SER A 148 28.112 25.724 25.025 1.00 17.12 C ATOM 1164 O SER A 148 28.598 26.811 25.386 1.00 15.26 O ATOM 1165 CB SER A 148 29.732 24.683 23.473 1.00 18.30 C ATOM 1166 OG SER A 148 28.751 24.327 22.488 1.00 17.66 O ATOM 0 H SER A 148 28.491 22.717 24.231 1.00 15.52 H new ATOM 0 HA SER A 148 29.639 24.526 25.586 1.00 13.96 H new ATOM 0 HB2 SER A 148 30.036 25.596 23.349 1.00 18.30 H new ATOM 0 HB3 SER A 148 30.514 24.112 23.410 1.00 18.30 H new ATOM 0 HG SER A 148 28.317 25.011 22.265 1.00 17.66 H new ATOM 1167 N HIS A 149 26.805 25.560 24.787 1.00 19.70 N ATOM 1168 CA HIS A 149 25.861 26.656 24.930 1.00 12.89 C ATOM 1169 C HIS A 149 24.593 26.199 25.678 1.00 11.92 C ATOM 1170 O HIS A 149 24.380 25.025 25.789 1.00 17.84 O ATOM 1171 CB HIS A 149 25.448 27.087 23.541 1.00 17.02 C ATOM 1172 CG HIS A 149 26.512 27.648 22.631 1.00 19.81 C ATOM 1173 ND1 HIS A 149 27.384 26.815 21.930 1.00 19.27 N ATOM 1174 CD2 HIS A 149 26.778 28.925 22.297 1.00 17.60 C ATOM 1175 CE1 HIS A 149 28.154 27.590 21.217 1.00 14.31 C ATOM 1176 NE2 HIS A 149 27.824 28.849 21.408 1.00 17.63 N ATOM 0 H HIS A 149 26.451 24.816 24.541 1.00 19.70 H new ATOM 0 HA HIS A 149 26.280 27.374 25.429 1.00 12.89 H new ATOM 0 HB2 HIS A 149 25.051 26.321 23.098 1.00 17.02 H new ATOM 0 HB3 HIS A 149 24.751 27.756 23.632 1.00 17.02 H new ATOM 0 HD2 HIS A 149 26.348 29.691 22.601 1.00 17.60 H new ATOM 0 HE1 HIS A 149 28.835 27.296 20.657 1.00 14.31 H new ATOM 0 HE2 HIS A 149 28.205 29.523 21.033 1.00 17.63 H new ATOM 1177 N SER A 150 23.789 27.148 26.209 1.00 15.92 N ATOM 1178 CA SER A 150 22.587 26.794 26.913 1.00 16.17 C ATOM 1179 C SER A 150 21.579 26.586 25.865 1.00 18.39 C ATOM 1180 O SER A 150 21.708 27.161 24.746 1.00 15.44 O ATOM 1181 CB SER A 150 22.099 27.875 27.839 1.00 12.04 C ATOM 1182 OG SER A 150 22.233 29.123 27.212 1.00 16.71 O ATOM 0 H SER A 150 23.941 27.993 26.161 1.00 15.92 H new ATOM 0 HA SER A 150 22.752 26.016 27.469 1.00 16.17 H new ATOM 0 HB2 SER A 150 21.171 27.718 28.074 1.00 12.04 H new ATOM 0 HB3 SER A 150 22.607 27.861 28.665 1.00 12.04 H new ATOM 0 HG SER A 150 21.491 29.360 26.897 1.00 16.71 H new ATOM 1183 N TYR A 151 20.606 25.773 26.243 1.00 15.14 N ATOM 1184 CA TYR A 151 19.560 25.439 25.335 1.00 12.94 C ATOM 1185 C TYR A 151 18.298 25.036 26.000 1.00 21.53 C ATOM 1186 O TYR A 151 18.277 24.671 27.182 1.00 24.15 O ATOM 1187 CB TYR A 151 20.047 24.236 24.465 1.00 15.91 C ATOM 1188 CG TYR A 151 20.465 23.084 25.336 1.00 22.15 C ATOM 1189 CD1 TYR A 151 21.753 23.057 25.892 1.00 22.01 C ATOM 1190 CD2 TYR A 151 19.591 22.031 25.634 1.00 17.58 C ATOM 1191 CE1 TYR A 151 22.175 21.998 26.697 1.00 15.00 C ATOM 1192 CE2 TYR A 151 19.980 20.973 26.454 1.00 12.30 C ATOM 1193 CZ TYR A 151 21.265 20.980 26.979 1.00 10.66 C ATOM 1194 OH TYR A 151 21.611 19.958 27.783 1.00 18.62 O ATOM 0 H TYR A 151 20.544 25.411 27.021 1.00 15.14 H new ATOM 0 HA TYR A 151 19.368 26.234 24.814 1.00 12.94 H new ATOM 0 HB2 TYR A 151 19.336 23.954 23.868 1.00 15.91 H new ATOM 0 HB3 TYR A 151 20.792 24.514 23.909 1.00 15.91 H new ATOM 0 HD1 TYR A 151 22.338 23.760 25.720 1.00 22.01 H new ATOM 0 HD2 TYR A 151 18.732 22.038 25.277 1.00 17.58 H new ATOM 0 HE1 TYR A 151 23.040 21.972 27.036 1.00 15.00 H new ATOM 0 HE2 TYR A 151 19.392 20.278 26.645 1.00 12.30 H new ATOM 0 HH TYR A 151 22.238 20.198 28.288 1.00 18.62 H new ATOM 1195 N CYS A 152 17.248 25.076 25.197 1.00 16.95 N ATOM 1196 CA CYS A 152 15.917 24.712 25.682 1.00 14.64 C ATOM 1197 C CYS A 152 15.177 23.884 24.726 1.00 12.71 C ATOM 1198 O CYS A 152 15.074 24.314 23.587 1.00 22.87 O ATOM 1199 CB CYS A 152 15.136 26.032 25.733 1.00 15.71 C ATOM 1200 SG CYS A 152 13.483 25.945 26.497 1.00 27.10 S ATOM 0 H CYS A 152 17.279 25.310 24.370 1.00 16.95 H new ATOM 0 HA CYS A 152 16.009 24.232 26.520 1.00 14.64 H new ATOM 0 HB2 CYS A 152 15.665 26.683 26.220 1.00 15.71 H new ATOM 0 HB3 CYS A 152 15.038 26.366 24.828 1.00 15.71 H new ATOM 0 HG CYS A 152 12.976 27.032 26.480 1.00 27.10 H new ATOM 1201 N PHE A 153 14.637 22.768 25.209 1.00 8.56 N ATOM 1202 CA PHE A 153 13.812 21.815 24.451 1.00 9.23 C ATOM 1203 C PHE A 153 12.393 22.215 24.649 1.00 23.71 C ATOM 1204 O PHE A 153 11.970 22.465 25.790 1.00 17.30 O ATOM 1205 CB PHE A 153 13.825 20.455 25.011 1.00 9.24 C ATOM 1206 CG PHE A 153 15.162 19.844 24.886 1.00 20.67 C ATOM 1207 CD1 PHE A 153 15.858 19.924 23.681 1.00 13.20 C ATOM 1208 CD2 PHE A 153 15.728 19.189 25.974 1.00 13.93 C ATOM 1209 CE1 PHE A 153 17.110 19.343 23.583 1.00 19.19 C ATOM 1210 CE2 PHE A 153 16.987 18.588 25.884 1.00 23.62 C ATOM 1211 CZ PHE A 153 17.673 18.667 24.670 1.00 14.15 C ATOM 0 H PHE A 153 14.745 22.530 26.028 1.00 8.56 H new ATOM 0 HA PHE A 153 14.151 21.822 23.542 1.00 9.23 H new ATOM 0 HB2 PHE A 153 13.565 20.484 25.945 1.00 9.24 H new ATOM 0 HB3 PHE A 153 13.171 19.906 24.551 1.00 9.24 H new ATOM 0 HD1 PHE A 153 15.485 20.363 22.951 1.00 13.20 H new ATOM 0 HD2 PHE A 153 15.260 19.150 26.777 1.00 13.93 H new ATOM 0 HE1 PHE A 153 17.583 19.403 22.784 1.00 19.19 H new ATOM 0 HE2 PHE A 153 17.358 18.147 26.614 1.00 23.62 H new ATOM 0 HZ PHE A 153 18.509 18.268 24.584 1.00 14.15 H new ATOM 1212 N GLU A 154 11.695 22.268 23.568 1.00 14.82 N ATOM 1213 CA GLU A 154 10.294 22.632 23.539 1.00 16.72 C ATOM 1214 C GLU A 154 9.524 21.819 22.527 1.00 20.95 C ATOM 1215 O GLU A 154 10.006 21.617 21.392 1.00 21.77 O ATOM 1216 CB GLU A 154 10.202 24.089 23.121 1.00 16.58 C ATOM 1217 CG GLU A 154 8.768 24.607 23.042 1.00 28.98 C ATOM 1218 CD GLU A 154 8.631 26.135 22.864 1.00 41.21 C ATOM 1219 OE1 GLU A 154 9.500 26.690 21.998 1.00 35.65 O ATOM 1220 OE2 GLU A 154 7.683 26.760 23.368 1.00 42.10 O ATOM 0 H GLU A 154 12.019 22.089 22.792 1.00 14.82 H new ATOM 0 HA GLU A 154 9.917 22.471 24.418 1.00 16.72 H new ATOM 0 HB2 GLU A 154 10.701 24.632 23.752 1.00 16.58 H new ATOM 0 HB3 GLU A 154 10.626 24.198 22.256 1.00 16.58 H new ATOM 0 HG2 GLU A 154 8.321 24.168 22.302 1.00 28.98 H new ATOM 0 HG3 GLU A 154 8.300 24.347 23.851 1.00 28.98 H new ATOM 1221 N ILE A 155 8.309 21.340 22.944 1.00 11.59 N ATOM 1222 CA ILE A 155 7.405 20.590 22.118 1.00 8.66 C ATOM 1223 C ILE A 155 6.177 21.485 21.922 1.00 17.75 C ATOM 1224 O ILE A 155 5.613 21.953 22.926 1.00 20.70 O ATOM 1225 CB ILE A 155 7.061 19.251 22.663 1.00 15.95 C ATOM 1226 CG1 ILE A 155 8.344 18.448 22.734 1.00 18.22 C ATOM 1227 CG2 ILE A 155 6.101 18.489 21.747 1.00 16.55 C ATOM 1228 CD1 ILE A 155 8.065 17.056 23.253 1.00 18.19 C ATOM 0 H ILE A 155 8.012 21.464 23.742 1.00 11.59 H new ATOM 0 HA ILE A 155 7.825 20.376 21.270 1.00 8.66 H new ATOM 0 HB ILE A 155 6.637 19.370 23.527 1.00 15.95 H new ATOM 0 HG12 ILE A 155 8.750 18.396 21.854 1.00 18.22 H new ATOM 0 HG13 ILE A 155 8.980 18.894 23.314 1.00 18.22 H new ATOM 0 HG21 ILE A 155 5.901 17.623 22.136 1.00 16.55 H new ATOM 0 HG22 ILE A 155 5.280 18.995 21.646 1.00 16.55 H new ATOM 0 HG23 ILE A 155 6.513 18.365 20.878 1.00 16.55 H new ATOM 0 HD11 ILE A 155 8.894 16.553 23.293 1.00 18.19 H new ATOM 0 HD12 ILE A 155 7.678 17.113 24.141 1.00 18.19 H new ATOM 0 HD13 ILE A 155 7.444 16.607 22.658 1.00 18.19 H new ATOM 1229 N LEU A 156 5.794 21.754 20.654 1.00 13.54 N ATOM 1230 CA LEU A 156 4.612 22.580 20.237 1.00 12.05 C ATOM 1231 C LEU A 156 3.604 21.722 19.486 1.00 21.86 C ATOM 1232 O LEU A 156 4.012 20.870 18.687 1.00 13.99 O ATOM 1233 CB LEU A 156 4.890 23.864 19.523 1.00 14.50 C ATOM 1234 CG LEU A 156 5.834 24.593 20.389 1.00 23.81 C ATOM 1235 CD1 LEU A 156 7.088 24.667 19.595 1.00 36.35 C ATOM 1236 CD2 LEU A 156 5.357 25.969 20.474 1.00 22.99 C ATOM 0 H LEU A 156 6.231 21.450 19.979 1.00 13.54 H new ATOM 0 HA LEU A 156 4.236 22.889 21.076 1.00 12.05 H new ATOM 0 HB2 LEU A 156 5.273 23.702 18.647 1.00 14.50 H new ATOM 0 HB3 LEU A 156 4.075 24.373 19.387 1.00 14.50 H new ATOM 0 HG LEU A 156 5.936 24.184 21.263 1.00 23.81 H new ATOM 0 HD11 LEU A 156 7.766 25.139 20.104 1.00 36.35 H new ATOM 0 HD12 LEU A 156 7.399 23.770 19.396 1.00 36.35 H new ATOM 0 HD13 LEU A 156 6.919 25.141 18.766 1.00 36.35 H new ATOM 0 HD21 LEU A 156 5.954 26.484 21.038 1.00 22.99 H new ATOM 0 HD22 LEU A 156 5.334 26.359 19.586 1.00 22.99 H new ATOM 0 HD23 LEU A 156 4.465 25.979 20.854 1.00 22.99 H new ATOM 1237 N GLU A 157 2.280 21.910 19.799 1.00 17.86 N ATOM 1238 CA GLU A 157 1.130 21.194 19.180 1.00 22.84 C ATOM 1239 C GLU A 157 0.369 22.242 18.434 1.00 19.07 C ATOM 1240 O GLU A 157 0.202 23.354 18.906 1.00 22.80 O ATOM 1241 CB GLU A 157 0.225 20.281 20.061 1.00 21.80 C ATOM 1242 CG GLU A 157 0.991 19.105 20.690 1.00 39.80 C ATOM 1243 CD GLU A 157 0.129 18.174 21.519 1.00 53.75 C ATOM 1244 OE1 GLU A 157 -0.990 18.466 21.956 1.00 55.14 O ATOM 1245 OE2 GLU A 157 0.728 17.017 21.723 1.00 56.86 O ATOM 0 H GLU A 157 2.031 22.477 20.396 1.00 17.86 H new ATOM 0 HA GLU A 157 1.501 20.497 18.617 1.00 22.84 H new ATOM 0 HB2 GLU A 157 -0.175 20.814 20.766 1.00 21.80 H new ATOM 0 HB3 GLU A 157 -0.502 19.935 19.520 1.00 21.80 H new ATOM 0 HG2 GLU A 157 1.415 18.593 19.983 1.00 39.80 H new ATOM 0 HG3 GLU A 157 1.700 19.457 21.250 1.00 39.80 H new ATOM 1246 N ARG A 158 -0.032 21.899 17.238 1.00 26.40 N ATOM 1247 CA ARG A 158 -0.747 22.861 16.410 1.00 31.86 C ATOM 1248 C ARG A 158 -2.104 23.142 17.013 1.00 28.17 C ATOM 1249 O ARG A 158 -2.843 22.219 17.295 1.00 27.95 O ATOM 1250 CB ARG A 158 -0.943 22.316 14.995 1.00 26.37 C ATOM 1251 CG ARG A 158 -1.179 23.440 14.041 1.00 32.16 C ATOM 1252 CD ARG A 158 -1.370 22.860 12.676 1.00 42.20 C ATOM 1253 NE ARG A 158 -0.121 22.704 11.972 1.00 50.58 N ATOM 1254 CZ ARG A 158 0.461 23.734 11.385 1.00 54.24 C ATOM 1255 NH1 ARG A 158 -0.078 24.961 11.436 1.00 51.57 N ATOM 1256 NH2 ARG A 158 1.609 23.522 10.751 1.00 48.70 N ATOM 0 H ARG A 158 0.092 21.127 16.880 1.00 26.40 H new ATOM 0 HA ARG A 158 -0.222 23.676 16.369 1.00 31.86 H new ATOM 0 HB2 ARG A 158 -0.160 21.811 14.724 1.00 26.37 H new ATOM 0 HB3 ARG A 158 -1.695 21.704 14.978 1.00 26.37 H new ATOM 0 HG2 ARG A 158 -1.961 23.949 14.305 1.00 32.16 H new ATOM 0 HG3 ARG A 158 -0.427 24.052 14.046 1.00 32.16 H new ATOM 0 HD2 ARG A 158 -1.807 21.997 12.751 1.00 42.20 H new ATOM 0 HD3 ARG A 158 -1.960 23.433 12.162 1.00 42.20 H new ATOM 0 HE ARG A 158 0.250 21.929 11.934 1.00 50.58 H new ATOM 0 HH11 ARG A 158 -0.817 25.089 11.857 1.00 51.57 H new ATOM 0 HH12 ARG A 158 0.315 25.620 11.048 1.00 51.57 H new ATOM 0 HH21 ARG A 158 1.950 22.733 10.732 1.00 48.70 H new ATOM 0 HH22 ARG A 158 2.011 24.174 10.360 1.00 48.70 H new ATOM 1257 N ARG A 159 -2.445 24.358 17.230 1.00 27.17 N ATOM 1258 CA ARG A 159 -3.778 24.486 17.798 1.00 36.31 C ATOM 1259 C ARG A 159 -4.812 24.272 16.649 1.00 40.24 C ATOM 1260 O ARG A 159 -4.850 25.113 15.695 1.00 38.25 O ATOM 1261 CB ARG A 159 -4.051 25.829 18.479 1.00 30.47 C ATOM 1262 CG ARG A 159 -3.112 26.406 19.531 1.00 21.94 C ATOM 1263 CD ARG A 159 -3.620 27.762 19.988 1.00 27.12 C ATOM 1264 NE ARG A 159 -2.529 28.459 20.709 1.00 57.00 N ATOM 1265 CZ ARG A 159 -2.055 28.347 22.057 1.00 62.32 C ATOM 1266 NH1 ARG A 159 -2.583 27.511 23.016 1.00 57.34 N ATOM 1267 NH2 ARG A 159 -0.992 29.128 22.460 1.00 60.84 N ATOM 1268 OXT ARG A 159 -5.600 23.275 16.682 1.00 41.99 O ATOM 0 H ARG A 159 -1.992 25.074 17.083 1.00 27.17 H new ATOM 0 HA ARG A 159 -3.855 23.817 18.497 1.00 36.31 H new ATOM 0 HB2 ARG A 159 -4.122 26.491 17.774 1.00 30.47 H new ATOM 0 HB3 ARG A 159 -4.926 25.760 18.892 1.00 30.47 H new ATOM 0 HG2 ARG A 159 -3.051 25.802 20.288 1.00 21.94 H new ATOM 0 HG3 ARG A 159 -2.218 26.493 19.165 1.00 21.94 H new ATOM 0 HD2 ARG A 159 -3.909 28.287 19.225 1.00 27.12 H new ATOM 0 HD3 ARG A 159 -4.391 27.655 20.567 1.00 27.12 H new ATOM 0 HE ARG A 159 -2.103 29.035 20.233 1.00 57.00 H new ATOM 0 HH11 ARG A 159 -3.250 27.003 22.824 1.00 57.34 H new ATOM 0 HH12 ARG A 159 -2.246 27.497 23.807 1.00 57.34 H new ATOM 0 HH21 ARG A 159 -0.624 29.672 21.905 1.00 60.84 H new ATOM 0 HH22 ARG A 159 -0.698 29.071 23.266 1.00 60.84 H new TER 1269 ARG A 159 HETATM 1270 N1 FOL A 161 17.170 18.239 15.488 1.00 29.19 N HETATM 1271 C2 FOL A 161 17.804 18.340 16.640 1.00 28.55 C HETATM 1272 NA2 FOL A 161 17.264 18.466 17.755 1.00 16.81 N HETATM 1273 N3 FOL A 161 19.201 18.317 16.659 1.00 27.30 N HETATM 1274 C4 FOL A 161 19.985 18.179 15.554 1.00 32.17 C HETATM 1275 O4 FOL A 161 21.221 18.143 15.681 1.00 36.02 O HETATM 1276 C4A FOL A 161 19.287 18.034 14.273 1.00 20.98 C HETATM 1277 N5 FOL A 161 19.999 17.581 13.132 1.00 18.04 N HETATM 1278 C6 FOL A 161 19.266 17.179 12.047 1.00 26.35 C HETATM 1279 C7 FOL A 161 17.875 17.249 12.181 1.00 22.87 C HETATM 1280 N8 FOL A 161 17.212 17.650 13.256 1.00 32.58 N HETATM 1281 C8A FOL A 161 17.943 18.060 14.310 1.00 23.52 C HETATM 1282 C9 FOL A 161 19.975 16.728 10.764 1.00 18.65 C HETATM 1283 N10 FOL A 161 21.420 16.493 11.050 1.00 18.62 N HETATM 1284 C11 FOL A 161 22.819 13.168 13.394 1.00 25.26 C HETATM 1285 C12 FOL A 161 23.674 14.056 12.734 1.00 36.36 C HETATM 1286 C13 FOL A 161 23.200 15.121 11.989 1.00 26.82 C HETATM 1287 C14 FOL A 161 21.780 15.353 11.860 1.00 27.44 C HETATM 1288 C15 FOL A 161 20.887 14.500 12.489 1.00 13.94 C HETATM 1289 C16 FOL A 161 21.431 13.424 13.251 1.00 22.18 C HETATM 1290 C FOL A 161 23.331 12.056 14.176 1.00 27.20 C HETATM 1291 O FOL A 161 24.465 11.645 14.158 1.00 37.38 O HETATM 1292 N FOL A 161 22.530 11.370 14.849 1.00 30.12 N HETATM 1293 CA FOL A 161 22.848 10.142 15.575 1.00 33.07 C HETATM 1294 CB FOL A 161 23.324 10.730 16.912 1.00 44.08 C HETATM 1295 CG FOL A 161 24.299 9.806 17.764 1.00 59.62 C HETATM 1296 CD FOL A 161 24.330 10.518 19.123 1.00 68.56 C HETATM 1297 OE1 FOL A 161 25.305 11.348 19.003 1.00 73.38 O HETATM 1298 OE2 FOL A 161 23.421 10.379 20.063 1.00 57.83 O HETATM 1299 CT FOL A 161 21.492 9.452 15.715 1.00 33.36 C HETATM 1300 O1 FOL A 161 20.412 10.070 15.691 1.00 31.78 O HETATM 1301 O2 FOL A 161 21.486 8.238 15.657 1.00 28.30 O HETATM 0 HN22 FOL A 161 17.748 18.526 18.463 1.00 16.81 H new HETATM 0 HN21 FOL A 161 16.407 18.493 17.817 1.00 16.81 H new HETATM 0 HN1 FOL A 161 16.312 18.280 15.451 1.00 29.19 H new HETATM 0 HN0 FOL A 161 22.023 17.023 10.741 1.00 18.62 H new HETATM 0 HG2 FOL A 161 23.963 8.899 17.839 1.00 59.62 H new HETATM 0 HG1 FOL A 161 25.182 9.749 17.366 1.00 59.62 H new HETATM 0 HB2 FOL A 161 23.775 11.570 16.735 1.00 44.08 H new HETATM 0 HB1 FOL A 161 22.545 10.934 17.452 1.00 44.08 H new HETATM 0 HA FOL A 161 23.490 9.519 15.199 1.00 33.07 H new HETATM 0 H92 FOL A 161 19.566 15.916 10.425 1.00 18.65 H new HETATM 0 H91 FOL A 161 19.878 17.403 10.075 1.00 18.65 H new HETATM 0 H7 FOL A 161 17.346 16.978 11.414 1.00 22.87 H new HETATM 0 H16 FOL A 161 20.811 12.828 13.701 1.00 22.18 H new HETATM 0 H15 FOL A 161 19.929 14.630 12.414 1.00 13.94 H new HETATM 0 H13 FOL A 161 23.826 15.717 11.550 1.00 26.82 H new HETATM 0 H12 FOL A 161 24.632 13.921 12.801 1.00 36.36 H new HETATM 1302 PB ATR A 164 18.843 22.634 2.593 1.00 20.90 P HETATM 1303 O1B ATR A 164 17.707 23.522 2.230 1.00 20.02 O HETATM 1304 O2B ATR A 164 20.155 23.123 2.104 1.00 26.20 O HETATM 1305 O3B ATR A 164 19.012 22.480 4.162 1.00 20.07 O HETATM 1306 PA ATR A 164 17.691 19.939 2.347 1.00 17.15 P HETATM 1307 O1A ATR A 164 16.334 20.497 2.507 1.00 16.29 O HETATM 1308 O2A ATR A 164 18.363 18.895 3.193 1.00 12.12 O HETATM 1309 O3A ATR A 164 18.711 21.116 2.129 1.00 16.27 O HETATM 1310 O5' ATR A 164 17.942 19.276 0.886 1.00 18.83 O HETATM 1311 C5' ATR A 164 17.449 19.862 -0.323 1.00 14.99 C HETATM 1312 C4' ATR A 164 17.441 18.747 -1.327 1.00 15.76 C HETATM 1313 O4' ATR A 164 16.314 17.868 -1.144 1.00 16.82 O HETATM 1314 C3' ATR A 164 16.993 19.397 -2.614 1.00 22.89 C HETATM 1315 O3' ATR A 164 18.144 19.966 -3.171 1.00 22.94 O HETATM 1316 C2' ATR A 164 16.494 18.280 -3.507 1.00 13.21 C HETATM 1317 O2' ATR A 164 17.508 17.312 -3.790 1.00 21.26 O HETATM 1318 P2' ATR A 164 18.235 17.278 -5.284 1.00 15.92 P HETATM 1319 O1P ATR A 164 18.942 15.885 -5.220 1.00 14.99 O HETATM 1320 O2P ATR A 164 17.092 17.651 -6.226 1.00 16.42 O HETATM 1321 O3P ATR A 164 19.099 18.526 -5.123 1.00 14.26 O HETATM 1322 C1' ATR A 164 15.694 17.626 -2.388 1.00 17.73 C HETATM 1323 N9 ATR A 164 14.308 18.058 -2.367 1.00 13.95 N HETATM 1324 C8 ATR A 164 13.734 18.959 -1.553 1.00 17.36 C HETATM 1325 N7 ATR A 164 12.447 19.090 -1.764 1.00 15.93 N HETATM 1326 C5 ATR A 164 12.199 18.198 -2.806 1.00 19.80 C HETATM 1327 C6 ATR A 164 11.044 17.857 -3.526 1.00 22.77 C HETATM 1328 N6 ATR A 164 9.811 18.384 -3.303 1.00 23.13 N HETATM 1329 N1 ATR A 164 11.191 16.964 -4.528 1.00 31.81 N HETATM 1330 C2 ATR A 164 12.397 16.428 -4.780 1.00 26.03 C HETATM 1331 N3 ATR A 164 13.529 16.688 -4.168 1.00 21.60 N HETATM 1332 C4 ATR A 164 13.362 17.597 -3.197 1.00 13.68 C HETATM 0 HO3' ATR A 164 18.464 19.445 -3.747 1.00 22.94 H new HETATM 0 HN62 ATR A 164 9.142 18.131 -3.781 1.00 23.13 H new HETATM 0 HN61 ATR A 164 9.699 18.970 -2.684 1.00 23.13 H new HETATM 0 H5'2 ATR A 164 16.559 20.227 -0.198 1.00 14.99 H new HETATM 0 H5'1 ATR A 164 18.017 20.592 -0.615 1.00 14.99 H new HETATM 0 H8 ATR A 164 14.221 19.460 -0.880 1.00 17.36 H new HETATM 0 H4' ATR A 164 18.299 18.297 -1.282 1.00 15.76 H new HETATM 0 H3' ATR A 164 16.300 20.065 -2.495 1.00 22.89 H new HETATM 0 H2' ATR A 164 16.109 18.557 -4.353 1.00 13.21 H new HETATM 0 H2 ATR A 164 12.436 15.774 -5.496 1.00 26.03 H new HETATM 0 H1' ATR A 164 15.683 16.671 -2.560 1.00 17.73 H new HETATM 1333 O HOH A 302 14.565 19.657 18.863 1.00 14.86 O HETATM 1334 O HOH A 305 15.262 10.051 -5.839 1.00 31.43 O HETATM 1335 O HOH A 307 17.230 26.041 2.092 1.00 21.89 O HETATM 1336 O HOH A 309 15.894 29.514 18.790 1.00 31.88 O HETATM 1337 O HOH A 310 19.436 4.292 -4.321 1.00 28.40 O HETATM 1338 O HOH A 311 17.633 30.614 20.489 1.00 26.22 O HETATM 1339 O HOH A 312 31.344 27.196 11.969 1.00 33.35 O HETATM 1340 O HOH A 314 6.975 4.026 13.661 1.00 28.35 O HETATM 1341 O HOH A 316 19.048 15.067 26.330 1.00 31.36 O HETATM 1342 O HOH A 318 24.647 8.881 -1.407 1.00 41.04 O HETATM 1343 O HOH A 320 24.856 29.987 25.656 1.00 24.19 O HETATM 1344 O HOH A 321 5.828 6.302 14.062 1.00 18.68 O HETATM 1345 O HOH A 323 21.598 -2.814 -3.375 1.00 23.46 O HETATM 1346 O HOH A 327 31.207 17.333 23.819 1.00 46.11 O HETATM 1347 O HOH A 328 6.438 6.217 -2.362 1.00 43.73 O HETATM 1348 O HOH A 335 14.146 8.217 -7.061 1.00 31.95 O HETATM 1349 O HOH A 337 23.600 21.357 29.028 1.00 38.63 O HETATM 1350 O HOH A 338 8.529 11.731 20.782 1.00 37.51 O HETATM 1351 O HOH A 340 21.642 33.118 14.597 1.00 40.16 O HETATM 1352 O HOH A 348 11.010 7.049 19.627 1.00 37.42 O HETATM 1353 O HOH A 349 8.902 32.299 14.116 1.00 51.80 O HETATM 1354 O HOH A 353 7.456 21.040 30.522 1.00 20.93 O HETATM 1355 O HOH A 354 6.823 17.524 -3.430 1.00 34.54 O HETATM 1356 O HOH A 357 4.291 16.222 -3.733 1.00 35.75 O HETATM 1357 O HOH A 358 26.794 33.109 20.189 1.00 44.04 O HETATM 1358 O HOH A 359 16.144 6.556 -7.261 1.00 30.39 O HETATM 1359 O HOH A 362 7.341 8.924 20.658 1.00 52.84 O HETATM 1360 O HOH A 363 12.746 26.552 5.768 1.00 39.25 O HETATM 1361 O HOH A 365 11.135 3.136 11.388 1.00 33.96 O HETATM 1362 O HOH A 369 9.527 30.097 20.369 1.00 41.60 O HETATM 1363 O HOH A 370 16.757 30.473 23.066 1.00 31.97 O HETATM 1364 O HOH A 375 1.896 7.581 5.449 1.00 46.58 O HETATM 1365 O HOH A 379 22.624 3.133 -5.818 1.00 32.57 O HETATM 1366 O HOH A 385 10.661 4.894 20.338 1.00 40.55 O HETATM 1367 O HOH A 406 20.126 11.611 -5.816 1.00 35.14 O HETATM 1368 O HOH A 407 17.691 28.409 25.449 1.00 35.94 O HETATM 1369 O HOH A 408 22.406 11.228 -4.937 1.00 34.19 O HETATM 1370 O HOH A 411 25.175 28.683 30.300 1.00 47.76 O HETATM 1371 O HOH A 423 21.758 35.570 12.105 1.00 37.08 O HETATM 1372 O HOH A 425 12.119 7.099 -6.641 1.00 44.66 O HETATM 1373 O HOH A 428 6.251 26.580 5.170 1.00 34.39 O HETATM 1374 O HOH A 449 27.071 20.832 12.047 1.00 39.31 O HETATM 1375 O HOH A 456 21.603 13.175 -12.796 1.00 50.17 O HETATM 1376 O HOH A 461 17.798 22.706 -2.939 1.00 43.61 O HETATM 1377 O HOH A 479 11.480 34.169 14.847 1.00 58.80 O HETATM 1378 O HOH A 499 19.107 9.578 22.881 1.00 46.24 O HETATM 1379 O HOH A 509 22.991 37.942 17.790 1.00 65.94 O HETATM 1380 O HOH A 600 26.289 19.128 18.654 1.00 27.60 O HETATM 1381 O HOH A 601 22.661 19.928 17.653 1.00 49.53 O HETATM 1382 O HOH A 602 21.191 34.638 9.416 1.00 28.91 O HETATM 1383 O HOH A 604 -4.471 21.318 19.081 1.00 69.58 O HETATM 1384 O HOH A 605 15.833 19.904 -6.665 1.00 33.34 O HETATM 1385 O HOH A 606 23.515 25.447 5.010 1.00 48.02 O HETATM 1386 O HOH A 607 1.166 27.739 24.294 1.00 44.46 O HETATM 1387 O HOH A 608 21.807 10.449 -9.588 1.00 44.26 O HETATM 1388 O HOH A 609 28.380 4.908 14.518 1.00 63.66 O HETATM 1389 O HOH A 610 6.743 20.333 -2.798 1.00 61.20 O HETATM 1390 O HOH A 611 19.120 -0.379 11.853 1.00 41.16 O HETATM 1391 O HOH A 613 14.219 1.864 3.726 1.00 49.45 O HETATM 1392 O HOH A 614 27.780 29.715 26.088 1.00 58.39 O HETATM 1393 O HOH A 615 4.896 11.593 19.868 1.00 40.04 O HETATM 1394 O HOH A 616 20.039 27.725 2.155 1.00 50.43 O HETATM 1395 O HOH A 617 12.647 0.393 14.088 1.00 46.92 O HETATM 1396 O HOH A 618 14.397 4.031 -3.588 1.00 38.51 O HETATM 1397 O HOH A 619 6.381 34.709 14.004 1.00 61.44 O HETATM 1398 O HOH A 620 18.261 2.070 9.203 1.00 48.90 O HETATM 1399 O HOH A 621 24.495 3.387 10.123 1.00 38.55 O HETATM 1400 O HOH A 622 4.802 8.307 18.417 1.00 50.48 O HETATM 1401 O HOH A 624 15.941 2.716 5.916 1.00 39.10 O HETATM 1402 O HOH A 625 23.613 18.025 13.746 1.00 49.60 O HETATM 1403 O HOH A 626 22.262 4.996 -8.073 1.00 47.92 O HETATM 1404 O HOH A 627 6.411 12.127 23.015 1.00 50.86 O HETATM 1405 O HOH A 628 20.657 13.319 27.429 1.00 43.83 O HETATM 1406 O HOH A 629 3.965 12.924 -6.480 1.00 62.87 O HETATM 1407 O HOH A 633 6.396 2.317 7.416 1.00 43.32 O HETATM 1408 O HOH A 636 21.397 20.929 -4.752 1.00 51.85 O HETATM 1409 O HOH A 637 25.157 16.107 27.836 1.00 42.92 O HETATM 1410 O HOH A 640 16.824 22.231 33.377 1.00 61.25 O HETATM 1411 O HOH A 641 24.896 9.916 3.777 1.00 34.61 O HETATM 1412 O HOH A 642 35.158 20.082 29.887 1.00 60.32 O HETATM 1413 O HOH A 643 29.270 21.504 14.957 1.00 52.87 O HETATM 1414 O HOH A 644 16.576 2.273 -2.452 1.00 57.56 O HETATM 1415 O HOH A 646 3.588 1.164 7.908 1.00 35.59 O HETATM 1416 O HOH A 647 0.075 15.859 11.002 1.00 29.75 O HETATM 1417 O HOH A 648 -0.594 3.173 13.382 1.00 49.51 O HETATM 1418 O HOH A 649 26.062 23.752 9.265 1.00 41.93 O HETATM 1419 O HOH A 650 23.175 21.576 11.121 1.00 64.64 O HETATM 1420 O HOH A 651 8.985 17.526 -6.195 1.00 49.60 O HETATM 1421 O HOH A 652 2.200 33.831 17.510 1.00 43.06 O HETATM 1422 O HOH A 653 5.652 24.858 27.963 1.00 43.45 O HETATM 1423 O HOH A 655 28.276 17.484 19.640 1.00 66.09 O HETATM 1424 O HOH A 656 0.828 16.947 24.832 1.00 76.01 O HETATM 1425 O HOH A 658 29.723 29.552 18.946 1.00 42.54 O HETATM 1426 O HOH A 659 29.878 31.101 21.300 1.00 63.07 O HETATM 1427 O HOH A 660 12.795 13.569 26.613 1.00 59.08 O HETATM 1428 O HOH A 661 26.766 28.358 32.865 1.00 72.18 O HETATM 1429 O HOH A 662 3.390 28.980 21.803 1.00 59.30 O HETATM 1430 O HOH A 664 12.427 25.379 31.828 1.00 76.65 O HETATM 1431 O HOH A 665 1.618 20.497 28.910 1.00 50.70 O HETATM 1432 O HOH A 666 21.436 14.404 -6.726 1.00 61.31 O HETATM 1433 O HOH A 667 21.132 18.118 29.381 1.00 47.11 O HETATM 1434 O HOH A 668 24.620 12.326 22.988 1.00 58.83 O HETATM 1435 O HOH A 670 -0.407 32.557 10.186 1.00 69.14 O HETATM 1436 O HOH A 671 22.908 21.672 32.366 1.00 58.15 O HETATM 1437 O HOH A 672 7.848 2.089 10.080 1.00 40.75 O HETATM 1438 O HOH A 673 20.687 8.475 24.201 1.00 62.51 O HETATM 1439 O HOH A 674 20.048 23.952 33.557 1.00 57.58 O HETATM 1440 O HOH A 675 22.947 5.451 17.455 1.00 55.06 O HETATM 1441 O HOH A 676 20.009 21.049 32.989 1.00 63.51 O HETATM 1442 O HOH A 677 24.380 15.000 -7.394 1.00 63.26 O HETATM 1443 O HOH A 678 30.631 8.418 5.115 1.00 62.36 O HETATM 1444 O HOH A 679 23.432 1.097 -3.861 1.00 48.06 O HETATM 1445 O HOH A 682 12.764 6.543 21.696 1.00 76.74 O HETATM 1446 O HOH A 683 22.857 27.351 0.709 1.00 64.01 O HETATM 1447 O HOH A 684 34.193 19.049 26.125 1.00 47.33 O HETATM 1448 O HOH A 685 22.858 29.676 30.998 1.00 66.12 O HETATM 1449 O HOH A 686 -3.230 22.056 21.311 1.00 58.67 O HETATM 1450 O HOH A 687 -4.682 20.749 14.224 1.00 51.57 O HETATM 1451 O HOH A 688 25.555 13.382 -4.816 1.00 70.45 O HETATM 1452 O HOH A 689 22.441 2.233 9.574 1.00 61.18 O HETATM 1453 O HOH A 690 4.992 10.140 21.975 1.00 62.41 O HETATM 1454 O HOH A 691 -4.570 20.584 16.505 1.00 64.27 O HETATM 1455 O HOH A 693 4.838 34.472 10.189 1.00 65.36 O HETATM 1456 O HOH A 695 11.784 17.098 -8.115 1.00 53.40 O HETATM 1457 O HOH A 696 13.388 31.675 7.477 1.00 62.66 O HETATM 1458 O HOH A 697 26.986 17.853 -3.465 1.00 70.84 O HETATM 1459 O HOH A 699 23.994 -0.747 -6.051 1.00 80.07 O HETATM 1460 O HOH A 700 24.067 18.521 9.834 1.00 54.60 O HETATM 1461 O HOH A 701 14.391 -1.380 12.652 1.00 62.66 O HETATM 1462 O HOH A 702 23.286 13.993 27.114 1.00 71.63 O HETATM 1463 O HOH A 703 15.501 11.765 -12.281 1.00 76.61 O HETATM 1464 O HOH A 704 20.601 22.640 13.466 1.00 34.04 O HETATM 1465 O HOH A 705 18.080 21.423 12.761 1.00 25.95 O HETATM 1466 O HOH A 706 -2.448 14.379 11.869 1.00 58.96 O HETATM 1467 O HOH A 708 -1.843 10.635 12.339 1.00 63.08 O HETATM 1468 O HOH A 709 23.093 22.733 6.802 1.00 56.97 O HETATM 1469 O HOH A 710 18.155 20.306 10.204 1.00 57.83 O HETATM 1470 O HOH A 711 20.552 20.788 4.370 1.00 60.11 O HETATM 1471 O HOH A 712 19.829 22.117 7.102 1.00 61.51 O HETATM 1472 O HOH A 713 16.340 4.528 -5.656 1.00 57.46 O HETATM 1473 O HOH A 714 24.060 20.857 4.974 1.00 68.85 O HETATM 1474 O HOH A 716 5.894 29.405 7.432 1.00 65.09 O HETATM 1475 O HOH A 717 21.816 19.861 7.941 1.00 60.02 O HETATM 1476 O HOH A 718 22.060 24.358 1.859 1.00 66.80 O CONECT 1270 1271 1281 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 1274 CONECT 1274 1273 1275 1276 CONECT 1275 1274 CONECT 1276 1274 1277 1281 CONECT 1277 1276 1278 CONECT 1278 1277 1279 1282 CONECT 1279 1278 1280 CONECT 1280 1279 1281 CONECT 1281 1270 1276 1280 CONECT 1282 1278 1283 CONECT 1283 1282 1287 CONECT 1284 1285 1289 1290 CONECT 1285 1284 1286 CONECT 1286 1285 1287 CONECT 1287 1283 1286 1288 CONECT 1288 1287 1289 CONECT 1289 1284 1288 CONECT 1290 1284 1291 1292 CONECT 1291 1290 CONECT 1292 1290 1293 CONECT 1293 1292 1294 1299 CONECT 1294 1293 1295 CONECT 1295 1294 1296 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 CONECT 1299 1293 1300 1301 CONECT 1300 1299 CONECT 1301 1299 CONECT 1302 1303 1304 1305 1309 CONECT 1303 1302 CONECT 1304 1302 CONECT 1305 1302 CONECT 1306 1307 1308 1309 1310 CONECT 1307 1306 CONECT 1308 1306 CONECT 1309 1302 1306 CONECT 1310 1306 1311 CONECT 1311 1310 1312 CONECT 1312 1311 1313 1314 CONECT 1313 1312 1322 CONECT 1314 1312 1315 1316 CONECT 1315 1314 CONECT 1316 1314 1317 1322 CONECT 1317 1316 1318 CONECT 1318 1317 1319 1320 1321 CONECT 1319 1318 CONECT 1320 1318 CONECT 1321 1318 CONECT 1322 1313 1316 1323 CONECT 1323 1322 1324 1332 CONECT 1324 1323 1325 CONECT 1325 1324 1326 CONECT 1326 1325 1327 1332 CONECT 1327 1326 1328 1329 CONECT 1328 1327 CONECT 1329 1327 1330 CONECT 1330 1329 1331 CONECT 1331 1330 1332 CONECT 1332 1323 1326 1331 END