USER MOD reduce.3.24.130724 H: found=0, std=0, add=1236, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER OXIDOREDUCTASE 30-OCT-96 1RA1 TITLE DIHYDROFOLATE REDUCTASE COMPLEXED WITH NICOTINAMIDE ADENINE TITLE 2 DINUCLEOTIDE PHOSPHATE (REDUCED FORM) 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 1RA1 1 VERSN REVDAT 1 23-DEC-96 1RA1 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. 1.90 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) : 1.90 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 20.00 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 COMPLETENESS FOR RANGE (%) : 95.0 REMARK 3 NUMBER OF REFLECTIONS : 12031 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) : 0.147 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) : 0.1470 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) : 12031 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 : 32 REMARK 3 SOLVENT ATOMS : 138 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) : 0.020 ; 0.020 ; 1324 REMARK 3 BOND ANGLES (DEGREES) : 3.000 ; 3.000 ; 1799 REMARK 3 TORSION ANGLES (DEGREES) : 24.300; NULL ; 755 REMARK 3 PSEUDOROTATION ANGLES (DEGREES) : NULL ; NULL ; NULL REMARK 3 TRIGONAL CARBON PLANES (A) : 0.023 ; 0.020 ; 34 REMARK 3 GENERAL PLANES (A) : 0.010 ; 0.020 ; 187 REMARK 3 ISOTROPIC THERMAL FACTORS (A**2) : 4.900 ; 5.000 ; 1324 REMARK 3 NON-BONDED CONTACTS (A) : 0.040 ; 0.020 ; 21 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 : NULL REMARK 3 BSOL : NULL 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 1RA1 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 : JUL-92 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 : 12031 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.900 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 (%) : 96.0 REMARK 200 DATA REDUNDANCY : 2.600 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.03500 REMARK 200 FOR THE DATA SET : NULL REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : NULL REMARK 200 COMPLETENESS FOR SHELL (%) : NULL REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : NULL 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 1RA9 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 37.44500 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 29.61500 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 4 -1.000000 0.000000 0.000000 37.44500 REMARK 290 SMTRY2 4 0.000000 1.000000 0.000000 29.61500 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 CG CD OE1 OE2 REMARK 480 ARG A 52 NE CZ NH1 NH2 REMARK 480 GLN A 146 CD OE1 NE2 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 GLU A 80 CD GLU A 80 OE1 0.113 REMARK 500 GLU A 101 CD GLU A 101 OE1 0.076 REMARK 500 GLU A 118 CD GLU A 118 OE1 0.070 REMARK 500 GLU A 129 CD GLU A 129 OE1 0.078 REMARK 500 GLU A 134 CD GLU A 134 OE1 0.077 REMARK 500 GLU A 139 CD GLU A 139 OE2 0.086 REMARK 500 GLN A 146 CG GLN A 146 CD 0.140 REMARK 500 GLU A 157 CD GLU A 157 OE2 0.072 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 ARG A 33 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 ASP A 37 CB - CG - OD1 ANGL. DEV. = 8.0 DEGREES REMARK 500 ASP A 37 CB - CG - OD2 ANGL. DEV. = -7.2 DEGREES REMARK 500 ILE A 61 CG1 - CB - CG2 ANGL. DEV. = -13.3 DEGREES REMARK 500 ASP A 87 CB - CG - OD1 ANGL. DEV. = -6.3 DEGREES REMARK 500 ARG A 98 NE - CZ - NH1 ANGL. DEV. = 5.2 DEGREES REMARK 500 ARG A 98 NE - CZ - NH2 ANGL. DEV. = -4.5 DEGREES REMARK 500 ASP A 116 CB - CG - OD1 ANGL. DEV. = -8.9 DEGREES REMARK 500 ASP A 116 CB - CG - OD2 ANGL. DEV. = 6.5 DEGREES REMARK 500 ASP A 122 CB - CG - OD1 ANGL. DEV. = 9.3 DEGREES REMARK 500 ASP A 122 CB - CG - OD2 ANGL. DEV. = -7.5 DEGREES REMARK 500 ASP A 127 CB - CG - OD1 ANGL. DEV. = -5.7 DEGREES REMARK 500 ASP A 132 CB - CG - OD2 ANGL. DEV. = -7.6 DEGREES REMARK 500 ARG A 159 CD - NE - CZ ANGL. DEV. = 8.8 DEGREES REMARK 500 ARG A 159 NE - CZ - NH1 ANGL. DEV. = 4.3 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 9 -161.03 -106.19 REMARK 500 ASP A 69 105.87 -167.37 REMARK 500 GLU A 139 112.31 -161.29 REMARK 500 REMARK 500 REMARK: NULL REMARK 610 REMARK 610 MISSING HETEROATOM REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER; REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; REMARK 610 I=INSERTION CODE): REMARK 610 M RES C SSEQI REMARK 610 NAP A 164 REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 700 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 MET A 20 SD REMARK 620 2 MET A 16 SD 102.6 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 700 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE NAP A 164 DBREF 1RA1 A 1 159 UNP P0ABQ4 DYR_ECOLI 1 159 SEQADV 1RA1 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 CA A 700 1 HET NAP A 164 31 HETNAM CA CALCIUM ION HETNAM NAP NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE HETSYN NAP 2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE FORMUL 2 CA CA 2+ FORMUL 3 NAP C21 H28 N7 O17 P3 FORMUL 4 HOH *138(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 8 8 TRP A 133 SER A 135 0 SHEET 2 8 8 TYR A 151 ARG A 158 -1 N GLU A 157 O GLU A 134 SHEET 3 8 8 ALA A 107 ILE A 115 -1 N HIS A 114 O CYS A 152 SHEET 4 8 8 ILE A 2 ILE A 5 1 N ILE A 2 O GLN A 108 SHEET 5 8 8 ILE A 91 GLY A 95 1 N ILE A 91 O SER A 3 SHEET 6 8 8 PRO A 39 GLY A 43 1 N PRO A 39 O MET A 92 SHEET 7 8 8 LYS A 58 LEU A 62 1 N LYS A 58 O VAL A 40 SHEET 8 8 8 THR A 73 VAL A 75 1 N THR A 73 O ILE A 61 LINK CA CA A 700 SD MET A 20 1555 1555 2.57 LINK CA CA A 700 SD MET A 16 1555 1555 2.77 CISPEP 1 GLY A 95 GLY A 96 0 1.66 SITE *** AC1 5 MET A 16 MET A 20 PRO A 21 VAL A 119 SITE *** AC1 5 GLU A 120 SITE *** AC2 22 GLY A 43 ARG A 44 HIS A 45 THR A 46 SITE *** AC2 22 LEU A 62 SER A 63 SER A 64 LYS A 76 SITE *** AC2 22 GLY A 96 GLY A 97 ARG A 98 VAL A 99 SITE *** AC2 22 GLN A 102 PHE A 137 HOH A 702 HOH A 710 SITE *** AC2 22 HOH A 715 HOH A 727 HOH A 771 HOH A 782 SITE *** AC2 22 HOH A 785 HOH A 814 CRYST1 74.890 59.230 38.900 90.00 106.27 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 0.013353 0.000000 0.003897 0.00000 SCALE2 0.000000 0.016883 0.000000 0.00000 SCALE3 0.000000 0.000000 0.026779 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 164 NAPHO3A : A 164 NAP O3B : A 164 NAP C3B :(short bond) USER MOD Set 1.1: A 148 SER OG : rot 77:sc= 1.73 USER MOD Set 1.2: A 149 HIS : no HD1:sc= 1.34 K(o=3.1,f=-7.1!) USER MOD Set 2.1: A 109 LYS NZ :NH3+ 179:sc= 0.00665 (180deg=0.00664) USER MOD Set 2.2: A 111 TYR OH : rot -7:sc= 2.37 USER MOD Set 3.1: A 64 SER OG : rot -80:sc= 1.57 USER MOD Set 3.2: A 65 GLN :FLIP amide:sc= 0.492 F(o=1,f=2.1) USER MOD Set 4.1: A 42 MET CE :methyl -179:sc= 0 (180deg=-0.00262) USER MOD Set 4.2: A 59 ASN : amide:sc= 0.192! C(o=0.19!,f=-7.2!) USER MOD Single : A 1 MET CE :methyl -130:sc= -5.54! (180deg=-7.13!) USER MOD Single : A 1 MET N :NH3+ -170:sc=0.000975 (180deg=0) USER MOD Single : A 3 SER OG : rot 175:sc= 1.28 USER MOD Single : A 16 MET CE :methyl -138:sc= -6.09! (180deg=-9.36!) USER MOD Single : A 18 ASN :FLIP amide:sc=-0.000989 F(o=-0.75,f=-0.00099) USER MOD Single : A 20 MET CE :methyl -149:sc= -5.08! (180deg=-7.69!) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= -0.0131 (180deg=-0.0581) USER MOD Single : A 34 ASN : amide:sc= 1.12 X(o=1.1,f=0.83) USER MOD Single : A 35 THR OG1 : rot -78:sc= 0.522 USER MOD Single : A 38 LYS NZ :NH3+ -145:sc= 1.46 (180deg=0.109) USER MOD Single : A 45 HIS : no HE2:sc= 0.544 K(o=0.54,f=-0.27) USER MOD Single : A 46 THR OG1 : rot 86:sc= 1.35 USER MOD Single : A 49 SER OG : rot -13:sc= 0.0987 USER MOD Single : A 58 LYS NZ :NH3+ 137:sc= 1.28 (180deg=-0.00667) USER MOD Single : A 63 SER OG : rot 54:sc= 2.26 USER MOD Single : A 68 THR OG1 : rot -110:sc= 0 USER MOD Single : A 73 THR OG1 : rot 87:sc= 1.23 USER MOD Single : A 76 LYS NZ :NH3+ 149:sc= 0.461 (180deg=0.124) USER MOD Single : A 77 SER OG : rot -82:sc= 1.07 USER MOD Single : A 85 CYS SG : rot 70:sc= -0.853 USER MOD Single : A 92 MET CE :methyl 140:sc= -0.0832 (180deg=-0.516) USER MOD Single : A 100 TYR OH : rot -32:sc= 1.29 USER MOD Single : A 102 GLN : amide:sc= 2.62 K(o=2.6,f=-6.1!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN :FLIP amide:sc= -2.06! C(o=-5.7!,f=-2.1!) USER MOD Single : A 113 THR OG1 : rot -171:sc= 2.34 USER MOD Single : A 114 HIS : no HD1:sc= 2.19 K(o=2.2,f=-6.9!) USER MOD Single : A 123 THR OG1 : rot 76:sc= 1.09 USER MOD Single : A 124 HIS : no HE2:sc= 1.01 K(o=1,f=-2!) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 141 HIS : no HD1:sc= -2.11! C(o=-2.1!,f=-7.1!) USER MOD Single : A 146 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 ASN : amide:sc= 0.638 K(o=0.64,f=-3.9!) USER MOD Single : A 150 SER OG : rot 119:sc= 1.35 USER MOD Single : A 151 TYR OH : rot 51:sc= 1.42 USER MOD Single : A 152 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.671 11.609 12.341 1.00 25.30 N ATOM 2 CA MET A 1 1.022 13.003 12.416 1.00 23.79 C ATOM 3 C MET A 1 2.489 13.190 12.019 1.00 18.31 C ATOM 4 O MET A 1 3.385 12.295 12.146 1.00 14.68 O ATOM 5 CB MET A 1 0.760 13.583 13.814 1.00 27.51 C ATOM 6 CG MET A 1 2.028 13.535 14.651 1.00 42.96 C ATOM 7 SD MET A 1 1.794 14.025 16.386 1.00 55.70 S ATOM 8 CE MET A 1 0.371 15.128 16.241 1.00 54.29 C ATOM 0 H1 MET A 1 -0.210 11.519 12.430 1.00 25.30 H new ATOM 0 H2 MET A 1 0.925 11.281 11.554 1.00 25.30 H new ATOM 0 H3 MET A 1 1.081 11.164 12.993 1.00 25.30 H new ATOM 0 HA MET A 1 0.458 13.489 11.795 1.00 23.79 H new ATOM 0 HB2 MET A 1 0.450 14.499 13.738 1.00 27.51 H new ATOM 0 HB3 MET A 1 0.056 13.080 14.253 1.00 27.51 H new ATOM 0 HG2 MET A 1 2.387 12.634 14.625 1.00 42.96 H new ATOM 0 HG3 MET A 1 2.692 14.116 14.248 1.00 42.96 H new ATOM 0 HE1 MET A 1 0.559 15.962 16.700 1.00 54.29 H new ATOM 0 HE2 MET A 1 0.195 15.308 15.304 1.00 54.29 H new ATOM 0 HE3 MET A 1 -0.406 14.708 16.641 1.00 54.29 H new ATOM 9 N ILE A 2 2.703 14.400 11.520 1.00 11.85 N ATOM 10 CA ILE A 2 3.993 14.757 11.101 1.00 11.73 C ATOM 11 C ILE A 2 4.611 15.689 12.108 1.00 15.48 C ATOM 12 O ILE A 2 3.957 16.632 12.568 1.00 13.24 O ATOM 13 CB ILE A 2 3.853 15.428 9.737 1.00 21.40 C ATOM 14 CG1 ILE A 2 3.256 14.376 8.786 1.00 18.83 C ATOM 15 CG2 ILE A 2 5.223 15.970 9.218 1.00 15.61 C ATOM 16 CD1 ILE A 2 3.077 14.919 7.383 1.00 22.19 C ATOM 0 H ILE A 2 2.103 15.009 11.426 1.00 11.85 H new ATOM 0 HA ILE A 2 4.572 13.982 11.029 1.00 11.73 H new ATOM 0 HB ILE A 2 3.273 16.203 9.794 1.00 21.40 H new ATOM 0 HG12 ILE A 2 3.835 13.598 8.760 1.00 18.83 H new ATOM 0 HG13 ILE A 2 2.399 14.080 9.129 1.00 18.83 H new ATOM 0 HG21 ILE A 2 5.098 16.389 8.352 1.00 15.61 H new ATOM 0 HG22 ILE A 2 5.572 16.623 9.845 1.00 15.61 H new ATOM 0 HG23 ILE A 2 5.851 15.235 9.134 1.00 15.61 H new ATOM 0 HD11 ILE A 2 2.700 14.229 6.815 1.00 22.19 H new ATOM 0 HD12 ILE A 2 2.479 15.682 7.405 1.00 22.19 H new ATOM 0 HD13 ILE A 2 3.938 15.194 7.030 1.00 22.19 H new ATOM 17 N SER A 3 5.867 15.419 12.429 1.00 12.31 N ATOM 18 CA SER A 3 6.547 16.281 13.353 1.00 10.37 C ATOM 19 C SER A 3 7.869 16.727 12.773 1.00 8.08 C ATOM 20 O SER A 3 8.524 15.986 12.065 1.00 12.86 O ATOM 21 CB SER A 3 6.932 15.424 14.584 1.00 10.77 C ATOM 22 OG SER A 3 5.796 15.046 15.325 1.00 12.47 O ATOM 0 H SER A 3 6.327 14.758 12.128 1.00 12.31 H new ATOM 0 HA SER A 3 5.975 17.037 13.558 1.00 10.37 H new ATOM 0 HB2 SER A 3 7.408 14.631 14.292 1.00 10.77 H new ATOM 0 HB3 SER A 3 7.538 15.925 15.152 1.00 10.77 H new ATOM 0 HG SER A 3 6.024 14.522 15.940 1.00 12.47 H new ATOM 23 N LEU A 4 8.338 17.928 13.126 1.00 6.61 N ATOM 24 CA LEU A 4 9.640 18.343 12.698 1.00 8.63 C ATOM 25 C LEU A 4 10.546 18.373 13.927 1.00 9.69 C ATOM 26 O LEU A 4 10.152 18.714 15.024 1.00 12.55 O ATOM 27 CB LEU A 4 9.593 19.796 12.225 1.00 11.32 C ATOM 28 CG LEU A 4 9.089 20.087 10.808 1.00 15.79 C ATOM 29 CD1 LEU A 4 7.937 19.261 10.276 1.00 10.00 C ATOM 30 CD2 LEU A 4 8.828 21.568 10.619 1.00 14.63 C ATOM 0 H LEU A 4 7.912 18.499 13.607 1.00 6.61 H new ATOM 0 HA LEU A 4 9.945 17.744 11.999 1.00 8.63 H new ATOM 0 HB2 LEU A 4 9.033 20.290 12.844 1.00 11.32 H new ATOM 0 HB3 LEU A 4 10.489 20.160 12.300 1.00 11.32 H new ATOM 0 HG LEU A 4 9.830 19.790 10.257 1.00 15.79 H new ATOM 0 HD11 LEU A 4 7.722 19.548 9.375 1.00 10.00 H new ATOM 0 HD12 LEU A 4 8.188 18.324 10.265 1.00 10.00 H new ATOM 0 HD13 LEU A 4 7.162 19.381 10.847 1.00 10.00 H new ATOM 0 HD21 LEU A 4 8.510 21.728 9.717 1.00 14.63 H new ATOM 0 HD22 LEU A 4 8.157 21.862 11.255 1.00 14.63 H new ATOM 0 HD23 LEU A 4 9.650 22.063 10.765 1.00 14.63 H new ATOM 31 N ILE A 5 11.803 18.061 13.801 1.00 4.02 N ATOM 32 CA ILE A 5 12.708 18.159 14.947 1.00 2.38 C ATOM 33 C ILE A 5 13.880 18.975 14.436 1.00 8.25 C ATOM 34 O ILE A 5 14.332 18.729 13.330 1.00 12.02 O ATOM 35 CB ILE A 5 13.139 16.825 15.513 1.00 7.19 C ATOM 36 CG1 ILE A 5 14.266 17.019 16.543 1.00 8.51 C ATOM 37 CG2 ILE A 5 13.562 15.879 14.370 1.00 10.54 C ATOM 38 CD1 ILE A 5 14.330 15.829 17.530 1.00 6.21 C ATOM 0 H ILE A 5 12.168 17.790 13.071 1.00 4.02 H new ATOM 0 HA ILE A 5 12.263 18.575 15.702 1.00 2.38 H new ATOM 0 HB ILE A 5 12.391 16.415 15.975 1.00 7.19 H new ATOM 0 HG12 ILE A 5 15.116 17.108 16.084 1.00 8.51 H new ATOM 0 HG13 ILE A 5 14.121 17.843 17.034 1.00 8.51 H new ATOM 0 HG21 ILE A 5 13.837 15.026 14.741 1.00 10.54 H new ATOM 0 HG22 ILE A 5 12.813 15.743 13.768 1.00 10.54 H new ATOM 0 HG23 ILE A 5 14.302 16.272 13.881 1.00 10.54 H new ATOM 0 HD11 ILE A 5 15.047 15.975 18.167 1.00 6.21 H new ATOM 0 HD12 ILE A 5 13.487 15.755 18.004 1.00 6.21 H new ATOM 0 HD13 ILE A 5 14.497 15.009 17.039 1.00 6.21 H new ATOM 39 N ALA A 6 14.315 19.980 15.202 1.00 7.89 N ATOM 40 CA ALA A 6 15.395 20.859 14.735 1.00 14.44 C ATOM 41 C ALA A 6 16.121 21.550 15.877 1.00 12.07 C ATOM 42 O ALA A 6 15.517 21.701 16.939 1.00 12.70 O ATOM 43 CB ALA A 6 14.841 21.981 13.797 1.00 13.11 C ATOM 0 H ALA A 6 14.005 20.168 15.982 1.00 7.89 H new ATOM 0 HA ALA A 6 16.012 20.280 14.261 1.00 14.44 H new ATOM 0 HB1 ALA A 6 15.572 22.547 13.503 1.00 13.11 H new ATOM 0 HB2 ALA A 6 14.415 21.577 13.025 1.00 13.11 H new ATOM 0 HB3 ALA A 6 14.193 22.516 14.281 1.00 13.11 H new ATOM 44 N ALA A 7 17.409 21.961 15.632 1.00 7.30 N ATOM 45 CA ALA A 7 18.215 22.656 16.629 1.00 9.11 C ATOM 46 C ALA A 7 18.505 23.983 15.973 1.00 11.84 C ATOM 47 O ALA A 7 19.037 24.039 14.870 1.00 12.22 O ATOM 48 CB ALA A 7 19.503 21.916 16.991 1.00 8.44 C ATOM 0 H ALA A 7 17.813 21.834 14.883 1.00 7.30 H new ATOM 0 HA ALA A 7 17.751 22.734 17.477 1.00 9.11 H new ATOM 0 HB1 ALA A 7 19.993 22.425 17.655 1.00 8.44 H new ATOM 0 HB2 ALA A 7 19.284 21.042 17.351 1.00 8.44 H new ATOM 0 HB3 ALA A 7 20.050 21.810 16.197 1.00 8.44 H new ATOM 49 N LEU A 8 18.084 25.079 16.592 1.00 9.00 N ATOM 50 CA LEU A 8 18.289 26.394 16.005 1.00 10.59 C ATOM 51 C LEU A 8 19.040 27.325 16.905 1.00 15.87 C ATOM 52 O LEU A 8 18.912 27.266 18.128 1.00 14.39 O ATOM 53 CB LEU A 8 17.052 27.052 15.368 1.00 15.84 C ATOM 54 CG LEU A 8 15.747 26.904 16.089 1.00 23.78 C ATOM 55 CD1 LEU A 8 14.685 27.847 15.503 1.00 16.10 C ATOM 56 CD2 LEU A 8 15.227 25.492 15.829 1.00 30.44 C ATOM 0 H LEU A 8 17.679 25.082 17.350 1.00 9.00 H new ATOM 0 HA LEU A 8 18.860 26.207 15.243 1.00 10.59 H new ATOM 0 HB2 LEU A 8 17.234 28.000 15.268 1.00 15.84 H new ATOM 0 HB3 LEU A 8 16.945 26.688 14.475 1.00 15.84 H new ATOM 0 HG LEU A 8 15.893 27.097 17.028 1.00 23.78 H new ATOM 0 HD11 LEU A 8 13.851 27.734 15.984 1.00 16.10 H new ATOM 0 HD12 LEU A 8 14.985 28.765 15.588 1.00 16.10 H new ATOM 0 HD13 LEU A 8 14.548 27.638 14.566 1.00 16.10 H new ATOM 0 HD21 LEU A 8 14.380 25.369 16.286 1.00 30.44 H new ATOM 0 HD22 LEU A 8 15.101 25.364 14.876 1.00 30.44 H new ATOM 0 HD23 LEU A 8 15.869 24.844 16.160 1.00 30.44 H new ATOM 57 N ALA A 9 19.833 28.205 16.295 1.00 12.65 N ATOM 58 CA ALA A 9 20.553 29.124 17.168 1.00 12.25 C ATOM 59 C ALA A 9 19.869 30.434 17.009 1.00 8.39 C ATOM 60 O ALA A 9 18.756 30.414 16.535 1.00 6.77 O ATOM 61 CB ALA A 9 21.977 29.294 16.724 1.00 19.39 C ATOM 0 H ALA A 9 19.962 28.285 15.448 1.00 12.65 H new ATOM 0 HA ALA A 9 20.558 28.793 18.080 1.00 12.25 H new ATOM 0 HB1 ALA A 9 22.431 29.909 17.321 1.00 19.39 H new ATOM 0 HB2 ALA A 9 22.427 28.435 16.742 1.00 19.39 H new ATOM 0 HB3 ALA A 9 21.995 29.648 15.821 1.00 19.39 H new ATOM 62 N VAL A 10 20.496 31.575 17.369 1.00 13.92 N ATOM 63 CA VAL A 10 19.769 32.828 17.178 1.00 16.77 C ATOM 64 C VAL A 10 19.486 33.149 15.698 1.00 15.09 C ATOM 65 O VAL A 10 20.229 32.743 14.796 1.00 15.62 O ATOM 66 CB VAL A 10 20.235 34.039 17.951 1.00 24.02 C ATOM 67 CG1 VAL A 10 20.791 33.598 19.298 1.00 23.31 C ATOM 68 CG2 VAL A 10 21.279 34.749 17.147 1.00 32.25 C ATOM 0 H VAL A 10 21.287 31.637 17.702 1.00 13.92 H new ATOM 0 HA VAL A 10 18.925 32.621 17.609 1.00 16.77 H new ATOM 0 HB VAL A 10 19.495 34.645 18.112 1.00 24.02 H new ATOM 0 HG11 VAL A 10 21.090 34.375 19.795 1.00 23.31 H new ATOM 0 HG12 VAL A 10 20.098 33.141 19.800 1.00 23.31 H new ATOM 0 HG13 VAL A 10 21.539 32.996 19.158 1.00 23.31 H new ATOM 0 HG21 VAL A 10 21.587 35.530 17.633 1.00 32.25 H new ATOM 0 HG22 VAL A 10 22.027 34.152 16.988 1.00 32.25 H new ATOM 0 HG23 VAL A 10 20.901 35.026 16.298 1.00 32.25 H new ATOM 69 N ASP A 11 18.386 33.835 15.459 1.00 18.07 N ATOM 70 CA ASP A 11 18.003 34.181 14.104 1.00 19.40 C ATOM 71 C ASP A 11 17.545 32.945 13.336 1.00 20.04 C ATOM 72 O ASP A 11 17.486 32.946 12.105 1.00 25.97 O ATOM 73 CB ASP A 11 19.094 34.995 13.377 1.00 15.16 C ATOM 74 CG ASP A 11 19.206 36.374 14.037 1.00 26.31 C ATOM 75 OD1 ASP A 11 18.226 36.967 14.495 1.00 27.54 O ATOM 76 OD2 ASP A 11 20.445 36.816 14.142 1.00 26.68 O ATOM 0 H ASP A 11 17.845 34.111 16.068 1.00 18.07 H new ATOM 0 HA ASP A 11 17.238 34.776 14.150 1.00 19.40 H new ATOM 0 HB2 ASP A 11 19.945 34.531 13.422 1.00 15.16 H new ATOM 0 HB3 ASP A 11 18.872 35.090 12.437 1.00 15.16 H new ATOM 77 N ARG A 12 17.201 31.875 14.062 1.00 9.86 N ATOM 78 CA ARG A 12 16.726 30.694 13.405 1.00 7.67 C ATOM 79 C ARG A 12 17.760 30.018 12.531 1.00 10.23 C ATOM 80 O ARG A 12 17.361 29.236 11.729 1.00 7.87 O ATOM 81 CB ARG A 12 15.461 30.856 12.641 1.00 9.02 C ATOM 82 CG ARG A 12 14.378 31.521 13.510 1.00 25.74 C ATOM 83 CD ARG A 12 12.949 31.325 13.023 1.00 28.64 C ATOM 84 NE ARG A 12 12.987 31.529 11.597 1.00 41.20 N ATOM 85 CZ ARG A 12 13.043 32.695 10.964 1.00 38.82 C ATOM 86 NH1 ARG A 12 13.009 33.827 11.612 1.00 38.47 N ATOM 87 NH2 ARG A 12 13.106 32.668 9.632 1.00 35.50 N ATOM 0 H ARG A 12 17.240 31.828 14.920 1.00 9.86 H new ATOM 0 HA ARG A 12 16.531 30.115 14.158 1.00 7.67 H new ATOM 0 HB2 ARG A 12 15.623 31.394 11.850 1.00 9.02 H new ATOM 0 HB3 ARG A 12 15.150 29.990 12.336 1.00 9.02 H new ATOM 0 HG2 ARG A 12 14.448 31.172 14.412 1.00 25.74 H new ATOM 0 HG3 ARG A 12 14.561 32.472 13.558 1.00 25.74 H new ATOM 0 HD2 ARG A 12 12.627 30.436 13.239 1.00 28.64 H new ATOM 0 HD3 ARG A 12 12.347 31.955 13.449 1.00 28.64 H new ATOM 0 HE ARG A 12 12.972 30.823 11.106 1.00 41.20 H new ATOM 0 HH11 ARG A 12 12.949 33.830 12.470 1.00 38.47 H new ATOM 0 HH12 ARG A 12 13.047 34.570 11.181 1.00 38.47 H new ATOM 0 HH21 ARG A 12 13.109 31.915 9.217 1.00 35.50 H new ATOM 0 HH22 ARG A 12 13.143 33.404 9.188 1.00 35.50 H new ATOM 88 N VAL A 13 19.019 30.288 12.708 1.00 9.16 N ATOM 89 CA VAL A 13 19.996 29.610 11.933 1.00 13.49 C ATOM 90 C VAL A 13 20.105 28.152 12.303 1.00 16.08 C ATOM 91 O VAL A 13 20.309 27.775 13.478 1.00 12.68 O ATOM 92 CB VAL A 13 21.349 30.211 12.221 1.00 10.61 C ATOM 93 CG1 VAL A 13 22.501 29.439 11.582 1.00 11.23 C ATOM 94 CG2 VAL A 13 21.305 31.632 11.646 1.00 14.54 C ATOM 0 H VAL A 13 19.327 30.860 13.272 1.00 9.16 H new ATOM 0 HA VAL A 13 19.730 29.696 11.004 1.00 13.49 H new ATOM 0 HB VAL A 13 21.515 30.189 13.176 1.00 10.61 H new ATOM 0 HG11 VAL A 13 23.341 29.871 11.801 1.00 11.23 H new ATOM 0 HG12 VAL A 13 22.508 28.530 11.919 1.00 11.23 H new ATOM 0 HG13 VAL A 13 22.387 29.425 10.619 1.00 11.23 H new ATOM 0 HG21 VAL A 13 22.155 32.071 11.803 1.00 14.54 H new ATOM 0 HG22 VAL A 13 21.134 31.590 10.692 1.00 14.54 H new ATOM 0 HG23 VAL A 13 20.597 32.135 12.079 1.00 14.54 H new ATOM 95 N ILE A 14 20.012 27.327 11.278 1.00 17.61 N ATOM 96 CA ILE A 14 20.139 25.889 11.500 1.00 18.93 C ATOM 97 C ILE A 14 21.324 25.281 10.727 1.00 18.41 C ATOM 98 O ILE A 14 21.721 24.159 10.996 1.00 15.82 O ATOM 99 CB ILE A 14 18.899 25.109 11.045 1.00 15.54 C ATOM 100 CG1 ILE A 14 18.571 25.495 9.620 1.00 19.58 C ATOM 101 CG2 ILE A 14 17.659 25.285 11.900 1.00 10.53 C ATOM 102 CD1 ILE A 14 17.366 24.711 9.045 1.00 17.00 C ATOM 0 H ILE A 14 19.879 27.565 10.462 1.00 17.61 H new ATOM 0 HA ILE A 14 20.266 25.807 12.458 1.00 18.93 H new ATOM 0 HB ILE A 14 19.140 24.173 11.132 1.00 15.54 H new ATOM 0 HG12 ILE A 14 18.380 26.445 9.583 1.00 19.58 H new ATOM 0 HG13 ILE A 14 19.348 25.340 9.061 1.00 19.58 H new ATOM 0 HG21 ILE A 14 16.934 24.755 11.532 1.00 10.53 H new ATOM 0 HG22 ILE A 14 17.846 24.992 12.806 1.00 10.53 H new ATOM 0 HG23 ILE A 14 17.402 26.220 11.909 1.00 10.53 H new ATOM 0 HD11 ILE A 14 17.200 24.996 8.133 1.00 17.00 H new ATOM 0 HD12 ILE A 14 17.563 23.761 9.056 1.00 17.00 H new ATOM 0 HD13 ILE A 14 16.580 24.884 9.586 1.00 17.00 H new ATOM 103 N GLY A 15 21.860 25.970 9.732 1.00 17.02 N ATOM 104 CA GLY A 15 22.955 25.385 8.946 1.00 16.68 C ATOM 105 C GLY A 15 23.905 26.402 8.340 1.00 16.68 C ATOM 106 O GLY A 15 23.600 27.590 8.172 1.00 13.68 O ATOM 0 H GLY A 15 21.617 26.760 9.493 1.00 17.02 H new ATOM 0 HA2 GLY A 15 23.462 24.784 9.515 1.00 16.68 H new ATOM 0 HA3 GLY A 15 22.576 24.848 8.233 1.00 16.68 H new ATOM 107 N MET A 16 25.077 25.941 8.015 1.00 19.52 N ATOM 108 CA MET A 16 26.095 26.793 7.424 1.00 21.83 C ATOM 109 C MET A 16 26.973 25.922 6.588 1.00 18.12 C ATOM 110 O MET A 16 26.818 24.714 6.635 1.00 16.80 O ATOM 111 CB MET A 16 26.865 27.583 8.491 1.00 26.59 C ATOM 112 CG MET A 16 27.562 26.800 9.571 1.00 38.07 C ATOM 113 SD MET A 16 29.081 27.721 9.912 1.00 49.05 S ATOM 114 CE MET A 16 29.814 27.784 8.229 1.00 27.98 C ATOM 0 H MET A 16 25.319 25.123 8.126 1.00 19.52 H new ATOM 0 HA MET A 16 25.691 27.473 6.862 1.00 21.83 H new ATOM 0 HB2 MET A 16 27.530 28.126 8.039 1.00 26.59 H new ATOM 0 HB3 MET A 16 26.243 28.193 8.918 1.00 26.59 H new ATOM 0 HG2 MET A 16 27.009 26.728 10.365 1.00 38.07 H new ATOM 0 HG3 MET A 16 27.758 25.896 9.279 1.00 38.07 H new ATOM 0 HE1 MET A 16 30.768 27.617 8.285 1.00 27.98 H new ATOM 0 HE2 MET A 16 29.400 27.108 7.670 1.00 27.98 H new ATOM 0 HE3 MET A 16 29.662 28.660 7.842 1.00 27.98 H new ATOM 115 N GLU A 17 27.913 26.490 5.857 1.00 23.72 N ATOM 116 CA GLU A 17 28.820 25.695 5.010 1.00 30.33 C ATOM 117 C GLU A 17 29.684 24.674 5.781 1.00 27.82 C ATOM 118 O GLU A 17 29.725 23.450 5.480 1.00 29.25 O ATOM 119 CB GLU A 17 29.762 26.662 4.276 1.00 35.19 C ATOM 120 CG GLU A 17 30.779 25.963 3.361 0.00 20.00 C ATOM 121 CD GLU A 17 31.692 26.934 2.640 0.00 20.00 C ATOM 122 OE1 GLU A 17 31.553 28.155 2.858 0.00 20.00 O ATOM 123 OE2 GLU A 17 32.547 26.472 1.855 0.00 20.00 O ATOM 0 H GLU A 17 28.053 27.338 5.829 1.00 23.72 H new ATOM 0 HA GLU A 17 28.258 25.183 4.408 1.00 30.33 H new ATOM 0 HB2 GLU A 17 29.231 27.277 3.745 1.00 35.19 H new ATOM 0 HB3 GLU A 17 30.241 27.193 4.931 1.00 35.19 H new ATOM 0 HG2 GLU A 17 31.317 25.353 3.890 0.00 20.00 H new ATOM 0 HG3 GLU A 17 30.303 25.427 2.707 0.00 20.00 H new ATOM 124 N ASN A 18 30.371 25.222 6.791 1.00 18.99 N ATOM 125 CA ASN A 18 31.279 24.438 7.637 1.00 20.49 C ATOM 126 C ASN A 18 30.645 23.864 8.850 1.00 18.44 C ATOM 127 O ASN A 18 29.491 24.168 9.120 1.00 16.39 O ATOM 128 CB ASN A 18 32.491 25.239 8.049 1.00 19.73 C ATOM 129 CG ASN A 18 33.172 25.795 6.783 1.00 27.56 C ATOM 130 OD1 ASN A 18 33.249 24.949 5.760 1.00 31.80 O flip ATOM 131 ND2 ASN A 18 33.595 26.981 6.728 1.00 24.16 N flip ATOM 0 H ASN A 18 30.324 26.054 7.003 1.00 18.99 H new ATOM 0 HA ASN A 18 31.546 23.695 7.074 1.00 20.49 H new ATOM 0 HB2 ASN A 18 32.230 25.965 8.636 1.00 19.73 H new ATOM 0 HB3 ASN A 18 33.110 24.681 8.546 1.00 19.73 H new ATOM 0 HD21 ASN A 18 33.525 27.495 7.414 1.00 24.16 H new ATOM 0 HD22 ASN A 18 33.954 27.277 6.004 1.00 24.16 H new ATOM 132 N ALA A 19 31.413 23.062 9.571 1.00 20.04 N ATOM 133 CA ALA A 19 30.890 22.458 10.791 1.00 21.22 C ATOM 134 C ALA A 19 30.472 23.574 11.776 1.00 19.34 C ATOM 135 O ALA A 19 31.064 24.612 11.806 1.00 15.35 O ATOM 136 CB ALA A 19 31.919 21.496 11.331 1.00 13.63 C ATOM 0 H ALA A 19 32.225 22.856 9.379 1.00 20.04 H new ATOM 0 HA ALA A 19 30.087 21.939 10.626 1.00 21.22 H new ATOM 0 HB1 ALA A 19 31.584 21.086 12.144 1.00 13.63 H new ATOM 0 HB2 ALA A 19 32.096 20.807 10.671 1.00 13.63 H new ATOM 0 HB3 ALA A 19 32.740 21.975 11.526 1.00 13.63 H new ATOM 137 N MET A 20 29.412 23.347 12.566 1.00 19.12 N ATOM 138 CA MET A 20 28.891 24.282 13.517 1.00 18.51 C ATOM 139 C MET A 20 29.873 24.457 14.622 1.00 16.34 C ATOM 140 O MET A 20 30.536 23.495 15.002 1.00 13.94 O ATOM 141 CB MET A 20 27.562 23.712 14.053 1.00 26.03 C ATOM 142 CG MET A 20 26.393 24.034 13.079 1.00 40.94 C ATOM 143 SD MET A 20 26.295 25.708 12.272 1.00 52.66 S ATOM 144 CE MET A 20 24.783 26.300 13.066 1.00 59.11 C ATOM 0 H MET A 20 28.973 22.608 12.547 1.00 19.12 H new ATOM 0 HA MET A 20 28.736 25.149 13.109 1.00 18.51 H new ATOM 0 HB2 MET A 20 27.639 22.752 14.167 1.00 26.03 H new ATOM 0 HB3 MET A 20 27.373 24.087 14.927 1.00 26.03 H new ATOM 0 HG2 MET A 20 26.416 23.372 12.370 1.00 40.94 H new ATOM 0 HG3 MET A 20 25.565 23.899 13.566 1.00 40.94 H new ATOM 0 HE1 MET A 20 24.313 26.897 12.463 1.00 59.11 H new ATOM 0 HE2 MET A 20 24.214 25.545 13.282 1.00 59.11 H new ATOM 0 HE3 MET A 20 25.010 26.777 13.880 1.00 59.11 H new ATOM 145 N PRO A 21 30.003 25.656 15.142 1.00 16.73 N ATOM 146 CA PRO A 21 30.990 25.849 16.197 1.00 21.40 C ATOM 147 C PRO A 21 30.402 25.677 17.579 1.00 32.75 C ATOM 148 O PRO A 21 30.390 26.635 18.399 1.00 32.59 O ATOM 149 CB PRO A 21 31.427 27.294 16.063 1.00 19.91 C ATOM 150 CG PRO A 21 30.164 27.977 15.552 1.00 21.04 C ATOM 151 CD PRO A 21 29.419 26.939 14.686 1.00 19.72 C ATOM 0 HA PRO A 21 31.704 25.199 16.103 1.00 21.40 H new ATOM 0 HB2 PRO A 21 31.719 27.663 16.911 1.00 19.91 H new ATOM 0 HB3 PRO A 21 32.166 27.391 15.442 1.00 19.91 H new ATOM 0 HG2 PRO A 21 29.609 28.272 16.291 1.00 21.04 H new ATOM 0 HG3 PRO A 21 30.385 28.765 15.031 1.00 21.04 H new ATOM 0 HD2 PRO A 21 28.460 26.970 14.831 1.00 19.72 H new ATOM 0 HD3 PRO A 21 29.568 27.086 13.739 1.00 19.72 H new ATOM 152 N TRP A 22 29.900 24.479 17.835 1.00 31.04 N ATOM 153 CA TRP A 22 29.304 24.142 19.130 1.00 23.83 C ATOM 154 C TRP A 22 29.382 22.667 19.317 1.00 29.30 C ATOM 155 O TRP A 22 29.549 21.949 18.343 1.00 24.36 O ATOM 156 CB TRP A 22 27.924 24.656 19.378 1.00 14.26 C ATOM 157 CG TRP A 22 26.882 24.004 18.510 1.00 18.63 C ATOM 158 CD1 TRP A 22 26.569 22.688 18.425 1.00 26.02 C ATOM 159 CD2 TRP A 22 25.994 24.664 17.626 1.00 16.58 C ATOM 160 NE1 TRP A 22 25.513 22.488 17.561 1.00 27.59 N ATOM 161 CE2 TRP A 22 25.153 23.687 17.039 1.00 18.41 C ATOM 162 CE3 TRP A 22 25.831 25.985 17.276 1.00 23.29 C ATOM 163 CZ2 TRP A 22 24.181 23.996 16.122 1.00 18.86 C ATOM 164 CZ3 TRP A 22 24.836 26.280 16.397 1.00 25.44 C ATOM 165 CH2 TRP A 22 24.030 25.314 15.795 1.00 20.46 C ATOM 0 H TRP A 22 29.893 23.834 17.266 1.00 31.04 H new ATOM 0 HA TRP A 22 29.828 24.611 19.798 1.00 23.83 H new ATOM 0 HB2 TRP A 22 27.695 24.514 20.310 1.00 14.26 H new ATOM 0 HB3 TRP A 22 27.910 25.614 19.226 1.00 14.26 H new ATOM 0 HD1 TRP A 22 27.008 22.011 18.887 1.00 26.02 H new ATOM 0 HE1 TRP A 22 25.145 21.731 17.383 1.00 27.59 H new ATOM 0 HE3 TRP A 22 26.379 26.649 17.627 1.00 23.29 H new ATOM 0 HZ2 TRP A 22 23.648 23.337 15.739 1.00 18.86 H new ATOM 0 HZ3 TRP A 22 24.685 27.173 16.186 1.00 25.44 H new ATOM 0 HH2 TRP A 22 23.389 25.567 15.170 1.00 20.46 H new ATOM 166 N ASN A 23 29.266 22.249 20.561 1.00 27.27 N ATOM 167 CA ASN A 23 29.373 20.861 20.896 1.00 22.91 C ATOM 168 C ASN A 23 28.274 20.605 21.856 1.00 15.43 C ATOM 169 O ASN A 23 28.300 21.002 23.011 1.00 15.83 O ATOM 170 CB ASN A 23 30.709 20.664 21.613 1.00 36.36 C ATOM 171 CG ASN A 23 31.541 19.525 21.093 1.00 47.62 C ATOM 172 OD1 ASN A 23 32.630 19.723 20.488 1.00 51.30 O ATOM 173 ND2 ASN A 23 30.974 18.345 21.274 1.00 50.62 N ATOM 0 H ASN A 23 29.123 22.768 21.232 1.00 27.27 H new ATOM 0 HA ASN A 23 29.323 20.277 20.123 1.00 22.91 H new ATOM 0 HB2 ASN A 23 31.224 21.483 21.542 1.00 36.36 H new ATOM 0 HB3 ASN A 23 30.537 20.518 22.556 1.00 36.36 H new ATOM 0 HD21 ASN A 23 31.351 17.635 20.968 1.00 50.62 H new ATOM 0 HD22 ASN A 23 30.228 18.287 21.698 1.00 50.62 H new ATOM 174 N LEU A 24 27.301 19.968 21.339 1.00 12.56 N ATOM 175 CA LEU A 24 26.145 19.694 22.141 1.00 10.37 C ATOM 176 C LEU A 24 25.678 18.262 22.210 1.00 12.10 C ATOM 177 O LEU A 24 24.650 17.936 21.654 1.00 16.64 O ATOM 178 CB LEU A 24 24.949 20.534 21.657 1.00 19.53 C ATOM 179 CG LEU A 24 25.221 22.052 21.666 1.00 29.95 C ATOM 180 CD1 LEU A 24 24.072 22.837 21.024 1.00 34.29 C ATOM 181 CD2 LEU A 24 25.526 22.586 23.057 1.00 25.71 C ATOM 0 H LEU A 24 27.271 19.678 20.530 1.00 12.56 H new ATOM 0 HA LEU A 24 26.447 19.924 23.034 1.00 10.37 H new ATOM 0 HB2 LEU A 24 24.713 20.260 20.757 1.00 19.53 H new ATOM 0 HB3 LEU A 24 24.182 20.347 22.220 1.00 19.53 H new ATOM 0 HG LEU A 24 26.017 22.185 21.128 1.00 29.95 H new ATOM 0 HD11 LEU A 24 24.275 23.785 21.046 1.00 34.29 H new ATOM 0 HD12 LEU A 24 23.960 22.552 20.103 1.00 34.29 H new ATOM 0 HD13 LEU A 24 23.252 22.671 21.515 1.00 34.29 H new ATOM 0 HD21 LEU A 24 25.689 23.541 23.009 1.00 25.71 H new ATOM 0 HD22 LEU A 24 24.771 22.416 23.642 1.00 25.71 H new ATOM 0 HD23 LEU A 24 26.313 22.142 23.409 1.00 25.71 H new ATOM 182 N PRO A 25 26.386 17.420 22.948 1.00 17.01 N ATOM 183 CA PRO A 25 25.989 16.046 23.111 1.00 14.38 C ATOM 184 C PRO A 25 24.603 15.901 23.670 1.00 13.23 C ATOM 185 O PRO A 25 23.883 14.964 23.342 1.00 16.54 O ATOM 186 CB PRO A 25 26.980 15.469 24.149 1.00 14.51 C ATOM 187 CG PRO A 25 27.998 16.532 24.477 1.00 18.60 C ATOM 188 CD PRO A 25 27.670 17.769 23.668 1.00 13.98 C ATOM 0 HA PRO A 25 25.995 15.598 22.251 1.00 14.38 H new ATOM 0 HB2 PRO A 25 26.508 15.195 24.951 1.00 14.51 H new ATOM 0 HB3 PRO A 25 27.418 14.680 23.795 1.00 14.51 H new ATOM 0 HG2 PRO A 25 27.982 16.734 25.426 1.00 18.60 H new ATOM 0 HG3 PRO A 25 28.892 16.219 24.269 1.00 18.60 H new ATOM 0 HD2 PRO A 25 27.555 18.545 24.239 1.00 13.98 H new ATOM 0 HD3 PRO A 25 28.380 17.980 23.042 1.00 13.98 H new ATOM 189 N ALA A 26 24.171 16.823 24.532 1.00 9.74 N ATOM 190 CA ALA A 26 22.838 16.667 25.082 1.00 13.48 C ATOM 191 C ALA A 26 21.810 16.753 23.983 1.00 13.20 C ATOM 192 O ALA A 26 20.762 16.134 24.011 1.00 11.79 O ATOM 193 CB ALA A 26 22.576 17.741 26.122 1.00 10.61 C ATOM 0 H ALA A 26 24.613 17.511 24.797 1.00 9.74 H new ATOM 0 HA ALA A 26 22.774 15.796 25.504 1.00 13.48 H new ATOM 0 HB1 ALA A 26 21.683 17.630 26.485 1.00 10.61 H new ATOM 0 HB2 ALA A 26 23.227 17.665 26.837 1.00 10.61 H new ATOM 0 HB3 ALA A 26 22.650 18.616 25.710 1.00 10.61 H new ATOM 194 N ASP A 27 22.084 17.530 22.943 1.00 11.72 N ATOM 195 CA ASP A 27 21.027 17.563 21.910 1.00 10.87 C ATOM 196 C ASP A 27 20.975 16.274 21.056 1.00 6.83 C ATOM 197 O ASP A 27 19.991 15.787 20.476 1.00 11.45 O ATOM 198 CB ASP A 27 21.116 18.874 21.121 1.00 21.73 C ATOM 199 CG ASP A 27 20.228 18.905 19.911 1.00 18.52 C ATOM 200 OD1 ASP A 27 19.054 19.019 19.972 1.00 18.97 O ATOM 201 OD2 ASP A 27 20.895 18.927 18.789 1.00 17.02 O ATOM 0 H ASP A 27 22.791 18.002 22.811 1.00 11.72 H new ATOM 0 HA ASP A 27 20.159 17.563 22.342 1.00 10.87 H new ATOM 0 HB2 ASP A 27 20.881 19.612 21.705 1.00 21.73 H new ATOM 0 HB3 ASP A 27 22.035 19.014 20.843 1.00 21.73 H new ATOM 202 N LEU A 28 22.123 15.669 20.999 1.00 8.20 N ATOM 203 CA LEU A 28 22.185 14.426 20.293 1.00 20.09 C ATOM 204 C LEU A 28 21.394 13.338 21.014 1.00 15.80 C ATOM 205 O LEU A 28 20.743 12.508 20.354 1.00 14.04 O ATOM 206 CB LEU A 28 23.638 13.954 20.007 1.00 30.77 C ATOM 207 CG LEU A 28 24.312 14.903 19.017 1.00 49.40 C ATOM 208 CD1 LEU A 28 25.594 14.257 18.539 1.00 57.99 C ATOM 209 CD2 LEU A 28 23.434 15.234 17.794 1.00 57.15 C ATOM 0 H LEU A 28 22.858 15.946 21.348 1.00 8.20 H new ATOM 0 HA LEU A 28 21.773 14.589 19.430 1.00 20.09 H new ATOM 0 HB2 LEU A 28 24.145 13.924 20.834 1.00 30.77 H new ATOM 0 HB3 LEU A 28 23.628 13.053 19.647 1.00 30.77 H new ATOM 0 HG LEU A 28 24.476 15.739 19.480 1.00 49.40 H new ATOM 0 HD11 LEU A 28 26.037 14.845 17.908 1.00 57.99 H new ATOM 0 HD12 LEU A 28 26.178 14.097 19.297 1.00 57.99 H new ATOM 0 HD13 LEU A 28 25.390 13.414 18.105 1.00 57.99 H new ATOM 0 HD21 LEU A 28 23.914 15.837 17.205 1.00 57.15 H new ATOM 0 HD22 LEU A 28 23.223 14.417 17.316 1.00 57.15 H new ATOM 0 HD23 LEU A 28 22.613 15.657 18.090 1.00 57.15 H new ATOM 210 N ALA A 29 21.407 13.324 22.346 1.00 17.63 N ATOM 211 CA ALA A 29 20.638 12.327 23.134 1.00 14.52 C ATOM 212 C ALA A 29 19.172 12.586 22.939 1.00 11.43 C ATOM 213 O ALA A 29 18.291 11.727 22.799 1.00 12.46 O ATOM 214 CB ALA A 29 20.995 12.396 24.633 1.00 14.63 C ATOM 0 H ALA A 29 21.854 13.882 22.824 1.00 17.63 H new ATOM 0 HA ALA A 29 20.866 11.437 22.822 1.00 14.52 H new ATOM 0 HB1 ALA A 29 20.478 11.735 25.120 1.00 14.63 H new ATOM 0 HB2 ALA A 29 21.941 12.216 24.749 1.00 14.63 H new ATOM 0 HB3 ALA A 29 20.791 13.281 24.974 1.00 14.63 H new ATOM 215 N TRP A 30 18.864 13.880 22.954 1.00 6.79 N ATOM 216 CA TRP A 30 17.491 14.282 22.756 1.00 6.79 C ATOM 217 C TRP A 30 16.944 13.841 21.383 1.00 9.62 C ATOM 218 O TRP A 30 15.824 13.300 21.158 1.00 12.56 O ATOM 219 CB TRP A 30 17.532 15.848 22.805 1.00 9.17 C ATOM 220 CG TRP A 30 16.264 16.567 22.388 1.00 13.11 C ATOM 221 CD1 TRP A 30 16.071 17.166 21.174 1.00 7.00 C ATOM 222 CD2 TRP A 30 15.014 16.761 23.122 1.00 12.44 C ATOM 223 NE1 TRP A 30 14.831 17.695 21.114 1.00 11.86 N ATOM 224 CE2 TRP A 30 14.159 17.477 22.303 1.00 12.14 C ATOM 225 CE3 TRP A 30 14.587 16.402 24.389 1.00 16.41 C ATOM 226 CZ2 TRP A 30 12.874 17.924 22.701 1.00 13.88 C ATOM 227 CZ3 TRP A 30 13.338 16.795 24.785 1.00 17.83 C ATOM 228 CH2 TRP A 30 12.477 17.548 23.957 1.00 18.27 C ATOM 0 H TRP A 30 19.424 14.521 23.075 1.00 6.79 H new ATOM 0 HA TRP A 30 16.915 13.879 23.424 1.00 6.79 H new ATOM 0 HB2 TRP A 30 17.752 16.119 23.710 1.00 9.17 H new ATOM 0 HB3 TRP A 30 18.256 16.152 22.235 1.00 9.17 H new ATOM 0 HD1 TRP A 30 16.701 17.203 20.491 1.00 7.00 H new ATOM 0 HE1 TRP A 30 14.505 18.108 20.434 1.00 11.86 H new ATOM 0 HE3 TRP A 30 15.134 15.907 24.955 1.00 16.41 H new ATOM 0 HZ2 TRP A 30 12.335 18.439 22.145 1.00 13.88 H new ATOM 0 HZ3 TRP A 30 13.044 16.556 25.634 1.00 17.83 H new ATOM 0 HH2 TRP A 30 11.634 17.790 24.267 1.00 18.27 H new ATOM 229 N PHE A 31 17.756 14.144 20.392 1.00 12.14 N ATOM 230 CA PHE A 31 17.406 13.796 19.037 1.00 13.20 C ATOM 231 C PHE A 31 17.125 12.293 18.901 1.00 15.90 C ATOM 232 O PHE A 31 16.127 11.804 18.390 1.00 11.62 O ATOM 233 CB PHE A 31 18.610 14.177 18.145 1.00 13.48 C ATOM 234 CG PHE A 31 18.324 13.740 16.703 1.00 8.82 C ATOM 235 CD1 PHE A 31 17.521 14.485 15.842 1.00 14.30 C ATOM 236 CD2 PHE A 31 18.847 12.552 16.208 1.00 15.79 C ATOM 237 CE1 PHE A 31 17.242 14.084 14.535 1.00 15.76 C ATOM 238 CE2 PHE A 31 18.597 12.133 14.903 1.00 22.43 C ATOM 239 CZ PHE A 31 17.789 12.893 14.056 1.00 21.54 C ATOM 0 H PHE A 31 18.510 14.548 20.482 1.00 12.14 H new ATOM 0 HA PHE A 31 16.601 14.268 18.774 1.00 13.20 H new ATOM 0 HB2 PHE A 31 18.763 15.134 18.180 1.00 13.48 H new ATOM 0 HB3 PHE A 31 19.417 13.748 18.471 1.00 13.48 H new ATOM 0 HD1 PHE A 31 17.156 15.282 16.151 1.00 14.30 H new ATOM 0 HD2 PHE A 31 19.377 12.024 16.761 1.00 15.79 H new ATOM 0 HE1 PHE A 31 16.698 14.605 13.989 1.00 15.76 H new ATOM 0 HE2 PHE A 31 18.972 11.340 14.594 1.00 22.43 H new ATOM 0 HZ PHE A 31 17.618 12.610 13.187 1.00 21.54 H new ATOM 240 N LYS A 32 18.053 11.516 19.400 1.00 17.14 N ATOM 241 CA LYS A 32 17.973 10.051 19.363 1.00 23.13 C ATOM 242 C LYS A 32 16.743 9.500 20.088 1.00 19.64 C ATOM 243 O LYS A 32 15.964 8.673 19.617 1.00 14.53 O ATOM 244 CB LYS A 32 19.377 9.601 19.768 1.00 34.89 C ATOM 245 CG LYS A 32 19.629 8.232 20.340 1.00 48.23 C ATOM 246 CD LYS A 32 21.126 8.073 20.577 1.00 55.91 C ATOM 247 CE LYS A 32 21.911 7.467 19.406 1.00 61.87 C ATOM 248 NZ LYS A 32 21.488 6.102 18.977 1.00 67.10 N ATOM 0 H LYS A 32 18.765 11.815 19.779 1.00 17.14 H new ATOM 0 HA LYS A 32 17.781 9.661 18.496 1.00 23.13 H new ATOM 0 HB2 LYS A 32 19.938 9.686 18.981 1.00 34.89 H new ATOM 0 HB3 LYS A 32 19.702 10.243 20.419 1.00 34.89 H new ATOM 0 HG2 LYS A 32 19.143 8.120 21.172 1.00 48.23 H new ATOM 0 HG3 LYS A 32 19.310 7.548 19.730 1.00 48.23 H new ATOM 0 HD2 LYS A 32 21.501 8.944 20.783 1.00 55.91 H new ATOM 0 HD3 LYS A 32 21.258 7.515 21.359 1.00 55.91 H new ATOM 0 HE2 LYS A 32 21.836 8.064 18.645 1.00 61.87 H new ATOM 0 HE3 LYS A 32 22.849 7.435 19.650 1.00 61.87 H new ATOM 0 HZ1 LYS A 32 22.066 5.786 18.378 1.00 67.10 H new ATOM 0 HZ2 LYS A 32 21.469 5.561 19.684 1.00 67.10 H new ATOM 0 HZ3 LYS A 32 20.677 6.143 18.613 1.00 67.10 H new ATOM 249 N ARG A 33 16.506 10.010 21.262 1.00 17.27 N ATOM 250 CA ARG A 33 15.362 9.571 21.994 1.00 14.59 C ATOM 251 C ARG A 33 14.071 9.908 21.277 1.00 20.23 C ATOM 252 O ARG A 33 13.080 9.126 21.301 1.00 20.32 O ATOM 253 CB ARG A 33 15.443 10.348 23.281 1.00 22.62 C ATOM 254 CG ARG A 33 14.386 10.046 24.284 1.00 38.10 C ATOM 255 CD ARG A 33 14.973 10.416 25.646 1.00 57.50 C ATOM 256 NE ARG A 33 15.095 11.862 25.939 1.00 66.70 N ATOM 257 CZ ARG A 33 16.213 12.608 26.213 1.00 62.50 C ATOM 258 NH1 ARG A 33 17.456 12.127 26.245 1.00 59.09 N ATOM 259 NH2 ARG A 33 16.084 13.917 26.465 1.00 56.85 N ATOM 0 H ARG A 33 16.989 10.606 21.651 1.00 17.27 H new ATOM 0 HA ARG A 33 15.359 8.609 22.115 1.00 14.59 H new ATOM 0 HB2 ARG A 33 16.308 10.181 23.687 1.00 22.62 H new ATOM 0 HB3 ARG A 33 15.406 11.294 23.071 1.00 22.62 H new ATOM 0 HG2 ARG A 33 13.581 10.556 24.103 1.00 38.10 H new ATOM 0 HG3 ARG A 33 14.140 9.108 24.256 1.00 38.10 H new ATOM 0 HD2 ARG A 33 14.422 10.012 26.334 1.00 57.50 H new ATOM 0 HD3 ARG A 33 15.854 10.016 25.716 1.00 57.50 H new ATOM 0 HE ARG A 33 14.355 12.299 25.937 1.00 66.70 H new ATOM 0 HH11 ARG A 33 17.599 11.294 26.087 1.00 59.09 H new ATOM 0 HH12 ARG A 33 18.115 12.650 26.424 1.00 59.09 H new ATOM 0 HH21 ARG A 33 15.306 14.282 26.454 1.00 56.85 H new ATOM 0 HH22 ARG A 33 16.780 14.392 26.638 1.00 56.85 H new ATOM 260 N ASN A 34 14.016 11.097 20.637 1.00 20.77 N ATOM 261 CA ASN A 34 12.777 11.483 19.954 1.00 14.33 C ATOM 262 C ASN A 34 12.529 10.817 18.568 1.00 9.88 C ATOM 263 O ASN A 34 11.422 10.829 18.068 1.00 19.60 O ATOM 264 CB ASN A 34 12.528 13.025 19.912 1.00 14.59 C ATOM 265 CG ASN A 34 12.231 13.498 21.301 1.00 19.34 C ATOM 266 OD1 ASN A 34 11.178 13.147 21.892 1.00 18.56 O ATOM 267 ND2 ASN A 34 13.183 14.264 21.829 1.00 15.23 N ATOM 0 H ASN A 34 14.659 11.666 20.591 1.00 20.77 H new ATOM 0 HA ASN A 34 12.100 11.102 20.534 1.00 14.33 H new ATOM 0 HB2 ASN A 34 13.307 13.483 19.560 1.00 14.59 H new ATOM 0 HB3 ASN A 34 11.787 13.231 19.321 1.00 14.59 H new ATOM 0 HD21 ASN A 34 13.102 14.557 22.633 1.00 15.23 H new ATOM 0 HD22 ASN A 34 13.879 14.465 21.366 1.00 15.23 H new ATOM 268 N THR A 35 13.548 10.286 17.954 1.00 11.07 N ATOM 269 CA THR A 35 13.346 9.704 16.647 1.00 10.55 C ATOM 270 C THR A 35 13.519 8.189 16.624 1.00 17.03 C ATOM 271 O THR A 35 13.237 7.578 15.613 1.00 17.57 O ATOM 272 CB THR A 35 14.334 10.304 15.657 1.00 10.68 C ATOM 273 OG1 THR A 35 15.614 10.031 16.155 1.00 10.79 O ATOM 274 CG2 THR A 35 14.211 11.851 15.676 1.00 9.66 C ATOM 0 H THR A 35 14.351 10.248 18.261 1.00 11.07 H new ATOM 0 HA THR A 35 12.428 9.904 16.404 1.00 10.55 H new ATOM 0 HB THR A 35 14.172 9.949 14.769 1.00 10.68 H new ATOM 0 HG1 THR A 35 15.793 10.567 16.777 1.00 10.79 H new ATOM 0 HG21 THR A 35 14.841 12.234 15.045 1.00 9.66 H new ATOM 0 HG22 THR A 35 13.309 12.107 15.428 1.00 9.66 H new ATOM 0 HG23 THR A 35 14.406 12.180 16.567 1.00 9.66 H new ATOM 275 N LEU A 36 14.001 7.602 17.707 1.00 21.64 N ATOM 276 CA LEU A 36 14.198 6.158 17.754 1.00 21.30 C ATOM 277 C LEU A 36 12.975 5.355 17.257 1.00 16.01 C ATOM 278 O LEU A 36 11.840 5.628 17.694 1.00 16.16 O ATOM 279 CB LEU A 36 14.597 5.684 19.161 1.00 29.33 C ATOM 280 CG LEU A 36 15.386 4.365 19.085 1.00 42.13 C ATOM 281 CD1 LEU A 36 16.061 4.160 17.719 1.00 39.52 C ATOM 282 CD2 LEU A 36 16.435 4.385 20.165 1.00 50.93 C ATOM 0 H LEU A 36 14.221 8.019 18.426 1.00 21.64 H new ATOM 0 HA LEU A 36 14.928 5.980 17.140 1.00 21.30 H new ATOM 0 HB2 LEU A 36 15.135 6.364 19.596 1.00 29.33 H new ATOM 0 HB3 LEU A 36 13.802 5.561 19.704 1.00 29.33 H new ATOM 0 HG LEU A 36 14.765 3.630 19.207 1.00 42.13 H new ATOM 0 HD11 LEU A 36 16.544 3.319 17.720 1.00 39.52 H new ATOM 0 HD12 LEU A 36 15.385 4.144 17.023 1.00 39.52 H new ATOM 0 HD13 LEU A 36 16.680 4.888 17.551 1.00 39.52 H new ATOM 0 HD21 LEU A 36 16.946 3.561 20.136 1.00 50.93 H new ATOM 0 HD22 LEU A 36 17.030 5.139 20.025 1.00 50.93 H new ATOM 0 HD23 LEU A 36 16.006 4.468 21.031 1.00 50.93 H new ATOM 283 N ASP A 37 13.241 4.376 16.325 1.00 12.54 N ATOM 284 CA ASP A 37 12.252 3.510 15.738 1.00 9.63 C ATOM 285 C ASP A 37 11.074 4.197 15.091 1.00 13.50 C ATOM 286 O ASP A 37 9.897 3.748 15.107 1.00 12.85 O ATOM 287 CB ASP A 37 11.790 2.477 16.780 1.00 19.90 C ATOM 288 CG ASP A 37 12.992 1.762 17.411 1.00 26.16 C ATOM 289 OD1 ASP A 37 13.943 1.268 16.809 1.00 25.69 O ATOM 290 OD2 ASP A 37 12.882 1.715 18.699 1.00 29.45 O ATOM 0 H ASP A 37 14.035 4.223 16.033 1.00 12.54 H new ATOM 0 HA ASP A 37 12.698 3.074 14.995 1.00 9.63 H new ATOM 0 HB2 ASP A 37 11.272 2.918 17.471 1.00 19.90 H new ATOM 0 HB3 ASP A 37 11.206 1.827 16.360 1.00 19.90 H new ATOM 291 N LYS A 38 11.342 5.339 14.505 1.00 16.33 N ATOM 292 CA LYS A 38 10.249 6.052 13.816 1.00 15.61 C ATOM 293 C LYS A 38 10.879 6.373 12.462 1.00 14.21 C ATOM 294 O LYS A 38 12.084 6.604 12.373 1.00 17.82 O ATOM 295 CB LYS A 38 9.798 7.420 14.454 1.00 15.98 C ATOM 296 CG LYS A 38 9.316 7.359 15.891 1.00 23.33 C ATOM 297 CD LYS A 38 9.354 8.672 16.687 1.00 19.51 C ATOM 298 CE LYS A 38 8.527 8.709 17.969 1.00 16.09 C ATOM 299 NZ LYS A 38 8.714 10.016 18.689 1.00 14.02 N ATOM 0 H LYS A 38 12.112 5.721 14.483 1.00 16.33 H new ATOM 0 HA LYS A 38 9.450 5.503 13.829 1.00 15.61 H new ATOM 0 HB2 LYS A 38 10.543 8.039 14.408 1.00 15.98 H new ATOM 0 HB3 LYS A 38 9.087 7.791 13.909 1.00 15.98 H new ATOM 0 HG2 LYS A 38 8.403 7.031 15.891 1.00 23.33 H new ATOM 0 HG3 LYS A 38 9.853 6.703 16.363 1.00 23.33 H new ATOM 0 HD2 LYS A 38 10.277 8.864 16.915 1.00 19.51 H new ATOM 0 HD3 LYS A 38 9.050 9.388 16.108 1.00 19.51 H new ATOM 0 HE2 LYS A 38 7.589 8.583 17.757 1.00 16.09 H new ATOM 0 HE3 LYS A 38 8.788 7.976 18.548 1.00 16.09 H new ATOM 0 HZ1 LYS A 38 8.690 9.877 19.568 1.00 14.02 H new ATOM 0 HZ2 LYS A 38 9.500 10.368 18.466 1.00 14.02 H new ATOM 0 HZ3 LYS A 38 8.062 10.577 18.460 1.00 14.02 H new ATOM 300 N PRO A 39 10.070 6.431 11.426 1.00 14.90 N ATOM 301 CA PRO A 39 10.604 6.779 10.157 1.00 9.82 C ATOM 302 C PRO A 39 11.005 8.280 10.138 1.00 17.74 C ATOM 303 O PRO A 39 10.329 9.178 10.701 1.00 13.75 O ATOM 304 CB PRO A 39 9.440 6.591 9.185 1.00 12.42 C ATOM 305 CG PRO A 39 8.174 6.541 9.989 1.00 18.81 C ATOM 306 CD PRO A 39 8.579 6.223 11.423 1.00 17.91 C ATOM 0 HA PRO A 39 11.386 6.248 9.939 1.00 9.82 H new ATOM 0 HB2 PRO A 39 9.409 7.321 8.547 1.00 12.42 H new ATOM 0 HB3 PRO A 39 9.551 5.773 8.675 1.00 12.42 H new ATOM 0 HG2 PRO A 39 7.703 7.388 9.944 1.00 18.81 H new ATOM 0 HG3 PRO A 39 7.572 5.863 9.643 1.00 18.81 H new ATOM 0 HD2 PRO A 39 8.136 6.809 12.057 1.00 17.91 H new ATOM 0 HD3 PRO A 39 8.345 5.313 11.666 1.00 17.91 H new ATOM 307 N VAL A 40 12.134 8.566 9.474 1.00 14.04 N ATOM 308 CA VAL A 40 12.676 9.907 9.329 1.00 10.81 C ATOM 309 C VAL A 40 12.746 10.309 7.855 1.00 15.29 C ATOM 310 O VAL A 40 13.185 9.507 7.023 1.00 19.07 O ATOM 311 CB VAL A 40 14.059 9.985 9.929 1.00 10.24 C ATOM 312 CG1 VAL A 40 13.936 9.640 11.408 1.00 15.35 C ATOM 313 CG2 VAL A 40 14.934 8.936 9.261 1.00 19.70 C ATOM 0 H VAL A 40 12.612 7.963 9.089 1.00 14.04 H new ATOM 0 HA VAL A 40 12.085 10.517 9.797 1.00 10.81 H new ATOM 0 HB VAL A 40 14.443 10.867 9.807 1.00 10.24 H new ATOM 0 HG11 VAL A 40 14.811 9.681 11.824 1.00 15.35 H new ATOM 0 HG12 VAL A 40 13.343 10.274 11.840 1.00 15.35 H new ATOM 0 HG13 VAL A 40 13.576 8.744 11.503 1.00 15.35 H new ATOM 0 HG21 VAL A 40 15.828 8.973 9.636 1.00 19.70 H new ATOM 0 HG22 VAL A 40 14.557 8.055 9.413 1.00 19.70 H new ATOM 0 HG23 VAL A 40 14.977 9.109 8.308 1.00 19.70 H new ATOM 314 N ILE A 41 12.324 11.526 7.553 1.00 12.99 N ATOM 315 CA ILE A 41 12.326 12.144 6.210 1.00 12.73 C ATOM 316 C ILE A 41 13.364 13.227 6.250 1.00 14.09 C ATOM 317 O ILE A 41 13.385 14.056 7.184 1.00 12.29 O ATOM 318 CB ILE A 41 10.999 12.780 5.834 1.00 14.22 C ATOM 319 CG1 ILE A 41 9.892 11.729 5.717 1.00 10.82 C ATOM 320 CG2 ILE A 41 11.154 13.510 4.496 1.00 20.54 C ATOM 321 CD1 ILE A 41 8.546 12.385 5.462 1.00 6.15 C ATOM 0 H ILE A 41 12.008 12.054 8.153 1.00 12.99 H new ATOM 0 HA ILE A 41 12.501 11.453 5.552 1.00 12.73 H new ATOM 0 HB ILE A 41 10.749 13.405 6.532 1.00 14.22 H new ATOM 0 HG12 ILE A 41 10.099 11.115 4.995 1.00 10.82 H new ATOM 0 HG13 ILE A 41 9.851 11.205 6.532 1.00 10.82 H new ATOM 0 HG21 ILE A 41 10.309 13.919 4.250 1.00 20.54 H new ATOM 0 HG22 ILE A 41 11.833 14.198 4.579 1.00 20.54 H new ATOM 0 HG23 ILE A 41 11.418 12.877 3.810 1.00 20.54 H new ATOM 0 HD11 ILE A 41 7.861 11.702 5.391 1.00 6.15 H new ATOM 0 HD12 ILE A 41 8.332 12.982 6.196 1.00 6.15 H new ATOM 0 HD13 ILE A 41 8.584 12.891 4.635 1.00 6.15 H new ATOM 322 N MET A 42 14.238 13.198 5.213 1.00 12.10 N ATOM 323 CA MET A 42 15.316 14.183 5.108 1.00 13.26 C ATOM 324 C MET A 42 15.591 14.565 3.646 1.00 15.13 C ATOM 325 O MET A 42 15.275 13.826 2.752 1.00 13.20 O ATOM 326 CB MET A 42 16.599 13.741 5.795 1.00 9.95 C ATOM 327 CG MET A 42 17.305 12.640 5.044 1.00 12.46 C ATOM 328 SD MET A 42 18.586 11.919 6.067 1.00 15.25 S ATOM 329 CE MET A 42 17.514 10.649 6.756 1.00 14.87 C ATOM 0 H MET A 42 14.215 12.621 4.576 1.00 12.10 H new ATOM 0 HA MET A 42 15.001 14.970 5.580 1.00 13.26 H new ATOM 0 HB2 MET A 42 17.194 14.502 5.883 1.00 9.95 H new ATOM 0 HB3 MET A 42 16.394 13.436 6.693 1.00 9.95 H new ATOM 0 HG2 MET A 42 16.668 11.957 4.783 1.00 12.46 H new ATOM 0 HG3 MET A 42 17.693 12.993 4.228 1.00 12.46 H new ATOM 0 HE1 MET A 42 18.015 10.111 7.389 1.00 14.87 H new ATOM 0 HE2 MET A 42 16.766 11.068 7.209 1.00 14.87 H new ATOM 0 HE3 MET A 42 17.183 10.083 6.042 1.00 14.87 H new ATOM 330 N GLY A 43 16.143 15.764 3.430 1.00 11.56 N ATOM 331 CA GLY A 43 16.455 16.211 2.111 1.00 10.14 C ATOM 332 C GLY A 43 17.865 15.671 1.757 1.00 13.58 C ATOM 333 O GLY A 43 18.609 15.250 2.614 1.00 12.57 O ATOM 0 H GLY A 43 16.339 16.324 4.053 1.00 11.56 H new ATOM 0 HA2 GLY A 43 15.797 15.887 1.476 1.00 10.14 H new ATOM 0 HA3 GLY A 43 16.440 17.180 2.067 1.00 10.14 H new ATOM 334 N ARG A 44 18.212 15.704 0.486 1.00 15.31 N ATOM 335 CA ARG A 44 19.513 15.189 0.043 1.00 12.62 C ATOM 336 C ARG A 44 20.713 15.798 0.697 1.00 10.73 C ATOM 337 O ARG A 44 21.762 15.182 1.007 1.00 11.91 O ATOM 338 CB ARG A 44 19.584 15.339 -1.458 1.00 16.09 C ATOM 339 CG ARG A 44 20.614 14.403 -2.044 1.00 18.57 C ATOM 340 CD ARG A 44 21.751 15.156 -2.693 1.00 20.66 C ATOM 341 NE ARG A 44 21.392 16.182 -3.684 1.00 18.80 N ATOM 342 CZ ARG A 44 22.358 17.064 -4.053 1.00 22.83 C ATOM 343 NH1 ARG A 44 23.607 16.985 -3.537 1.00 18.05 N ATOM 344 NH2 ARG A 44 22.075 18.042 -4.941 1.00 19.85 N ATOM 0 H ARG A 44 17.717 16.018 -0.143 1.00 15.31 H new ATOM 0 HA ARG A 44 19.554 14.260 0.319 1.00 12.62 H new ATOM 0 HB2 ARG A 44 18.715 15.154 -1.847 1.00 16.09 H new ATOM 0 HB3 ARG A 44 19.807 16.255 -1.685 1.00 16.09 H new ATOM 0 HG2 ARG A 44 20.964 13.828 -1.345 1.00 18.57 H new ATOM 0 HG3 ARG A 44 20.191 13.827 -2.700 1.00 18.57 H new ATOM 0 HD2 ARG A 44 22.270 15.582 -1.992 1.00 20.66 H new ATOM 0 HD3 ARG A 44 22.333 14.511 -3.124 1.00 20.66 H new ATOM 0 HE ARG A 44 20.600 16.222 -4.018 1.00 18.80 H new ATOM 0 HH11 ARG A 44 23.799 16.370 -2.967 1.00 18.05 H new ATOM 0 HH12 ARG A 44 24.209 17.550 -3.779 1.00 18.05 H new ATOM 0 HH21 ARG A 44 21.284 18.106 -5.272 1.00 19.85 H new ATOM 0 HH22 ARG A 44 22.686 18.600 -5.175 1.00 19.85 H new ATOM 345 N HIS A 45 20.592 17.064 0.944 1.00 10.97 N ATOM 346 CA HIS A 45 21.777 17.634 1.586 1.00 12.62 C ATOM 347 C HIS A 45 22.056 17.118 2.965 1.00 12.62 C ATOM 348 O HIS A 45 23.216 16.908 3.312 1.00 12.82 O ATOM 349 CB HIS A 45 21.783 19.185 1.596 1.00 22.26 C ATOM 350 CG HIS A 45 21.894 19.649 0.189 1.00 30.63 C ATOM 351 ND1 HIS A 45 23.006 19.273 -0.545 1.00 39.92 N ATOM 352 CD2 HIS A 45 21.062 20.387 -0.592 1.00 29.14 C ATOM 353 CE1 HIS A 45 22.816 19.801 -1.750 1.00 39.44 C ATOM 354 NE2 HIS A 45 21.663 20.472 -1.820 1.00 26.68 N ATOM 0 H HIS A 45 19.924 17.580 0.780 1.00 10.97 H new ATOM 0 HA HIS A 45 22.499 17.324 1.017 1.00 12.62 H new ATOM 0 HB2 HIS A 45 20.971 19.525 2.003 1.00 22.26 H new ATOM 0 HB3 HIS A 45 22.526 19.518 2.123 1.00 22.26 H new ATOM 0 HD1 HIS A 45 23.674 18.801 -0.279 1.00 39.92 H new ATOM 0 HD2 HIS A 45 20.247 20.760 -0.343 1.00 29.14 H new ATOM 0 HE1 HIS A 45 23.413 19.714 -2.458 1.00 39.44 H new ATOM 355 N THR A 46 21.009 16.946 3.755 1.00 11.87 N ATOM 356 CA THR A 46 21.158 16.425 5.142 1.00 17.30 C ATOM 357 C THR A 46 21.653 14.986 5.138 1.00 16.47 C ATOM 358 O THR A 46 22.471 14.547 5.932 1.00 16.13 O ATOM 359 CB THR A 46 19.759 16.514 5.786 1.00 14.49 C ATOM 360 OG1 THR A 46 19.484 17.910 5.964 1.00 10.94 O ATOM 361 CG2 THR A 46 19.780 15.830 7.141 1.00 9.99 C ATOM 0 H THR A 46 20.199 17.119 3.525 1.00 11.87 H new ATOM 0 HA THR A 46 21.812 16.942 5.638 1.00 17.30 H new ATOM 0 HB THR A 46 19.087 16.085 5.233 1.00 14.49 H new ATOM 0 HG1 THR A 46 19.156 18.224 5.257 1.00 10.94 H new ATOM 0 HG21 THR A 46 18.900 15.886 7.546 1.00 9.99 H new ATOM 0 HG22 THR A 46 20.025 14.898 7.030 1.00 9.99 H new ATOM 0 HG23 THR A 46 20.428 16.268 7.715 1.00 9.99 H new ATOM 362 N TRP A 47 21.125 14.218 4.165 1.00 15.42 N ATOM 363 CA TRP A 47 21.513 12.802 3.984 1.00 9.11 C ATOM 364 C TRP A 47 23.038 12.713 3.808 1.00 17.38 C ATOM 365 O TRP A 47 23.708 11.932 4.449 1.00 16.76 O ATOM 366 CB TRP A 47 20.863 12.286 2.729 1.00 16.80 C ATOM 367 CG TRP A 47 21.575 11.073 2.240 1.00 24.74 C ATOM 368 CD1 TRP A 47 22.197 10.947 1.025 1.00 25.60 C ATOM 369 CD2 TRP A 47 21.702 9.799 2.939 1.00 17.53 C ATOM 370 NE1 TRP A 47 22.728 9.692 0.962 1.00 23.26 N ATOM 371 CE2 TRP A 47 22.434 8.956 2.099 1.00 20.81 C ATOM 372 CE3 TRP A 47 21.291 9.308 4.158 1.00 19.24 C ATOM 373 CZ2 TRP A 47 22.755 7.620 2.479 1.00 23.89 C ATOM 374 CZ3 TRP A 47 21.601 7.988 4.525 1.00 23.85 C ATOM 375 CH2 TRP A 47 22.323 7.137 3.712 1.00 19.24 C ATOM 0 H TRP A 47 20.541 14.498 3.600 1.00 15.42 H new ATOM 0 HA TRP A 47 21.235 12.283 4.755 1.00 9.11 H new ATOM 0 HB2 TRP A 47 19.932 12.075 2.903 1.00 16.80 H new ATOM 0 HB3 TRP A 47 20.875 12.974 2.045 1.00 16.80 H new ATOM 0 HD1 TRP A 47 22.248 11.599 0.364 1.00 25.60 H new ATOM 0 HE1 TRP A 47 23.188 9.394 0.299 1.00 23.26 H new ATOM 0 HE3 TRP A 47 20.808 9.851 4.739 1.00 19.24 H new ATOM 0 HZ2 TRP A 47 23.248 7.076 1.909 1.00 23.89 H new ATOM 0 HZ3 TRP A 47 21.308 7.674 5.350 1.00 23.85 H new ATOM 0 HH2 TRP A 47 22.515 6.267 3.980 1.00 19.24 H new ATOM 376 N GLU A 48 23.540 13.585 2.921 1.00 17.99 N ATOM 377 CA GLU A 48 24.919 13.670 2.627 1.00 17.91 C ATOM 378 C GLU A 48 25.693 14.103 3.848 1.00 21.85 C ATOM 379 O GLU A 48 26.780 13.646 4.140 1.00 27.11 O ATOM 380 CB GLU A 48 25.171 14.630 1.456 1.00 19.26 C ATOM 381 CG GLU A 48 24.874 13.909 0.121 1.00 21.06 C ATOM 382 CD GLU A 48 25.055 14.731 -1.135 1.00 27.67 C ATOM 383 OE1 GLU A 48 25.522 15.923 -0.953 1.00 33.75 O ATOM 384 OE2 GLU A 48 24.985 14.246 -2.237 1.00 30.08 O ATOM 0 H GLU A 48 23.056 14.142 2.480 1.00 17.99 H new ATOM 0 HA GLU A 48 25.228 12.789 2.364 1.00 17.91 H new ATOM 0 HB2 GLU A 48 24.608 15.415 1.542 1.00 19.26 H new ATOM 0 HB3 GLU A 48 26.091 14.938 1.470 1.00 19.26 H new ATOM 0 HG2 GLU A 48 25.448 13.130 0.061 1.00 21.06 H new ATOM 0 HG3 GLU A 48 23.960 13.586 0.145 1.00 21.06 H new ATOM 385 N SER A 49 25.157 14.975 4.611 1.00 15.48 N ATOM 386 CA SER A 49 25.982 15.300 5.711 1.00 19.12 C ATOM 387 C SER A 49 26.015 14.274 6.795 1.00 24.30 C ATOM 388 O SER A 49 27.000 14.232 7.473 1.00 28.47 O ATOM 389 CB SER A 49 25.741 16.713 6.204 1.00 31.75 C ATOM 390 OG SER A 49 24.438 16.825 6.714 1.00 39.36 O ATOM 0 H SER A 49 24.394 15.364 4.534 1.00 15.48 H new ATOM 0 HA SER A 49 26.889 15.281 5.368 1.00 19.12 H new ATOM 0 HB2 SER A 49 26.387 16.939 6.892 1.00 31.75 H new ATOM 0 HB3 SER A 49 25.868 17.344 5.478 1.00 31.75 H new ATOM 0 HG SER A 49 23.989 16.152 6.488 1.00 39.36 H new ATOM 391 N ILE A 50 24.979 13.462 6.998 1.00 23.56 N ATOM 392 CA ILE A 50 24.947 12.418 8.044 1.00 29.31 C ATOM 393 C ILE A 50 25.796 11.235 7.631 1.00 39.67 C ATOM 394 O ILE A 50 26.401 10.511 8.440 1.00 41.99 O ATOM 395 CB ILE A 50 23.529 11.869 8.206 1.00 31.09 C ATOM 396 CG1 ILE A 50 22.683 12.899 8.922 1.00 30.90 C ATOM 397 CG2 ILE A 50 23.544 10.536 8.937 1.00 32.64 C ATOM 398 CD1 ILE A 50 21.251 12.475 9.124 1.00 29.54 C ATOM 0 H ILE A 50 24.260 13.497 6.528 1.00 23.56 H new ATOM 0 HA ILE A 50 25.270 12.825 8.863 1.00 29.31 H new ATOM 0 HB ILE A 50 23.140 11.701 7.333 1.00 31.09 H new ATOM 0 HG12 ILE A 50 23.081 13.088 9.786 1.00 30.90 H new ATOM 0 HG13 ILE A 50 22.698 13.726 8.416 1.00 30.90 H new ATOM 0 HG21 ILE A 50 22.636 10.207 9.029 1.00 32.64 H new ATOM 0 HG22 ILE A 50 24.070 9.896 8.433 1.00 32.64 H new ATOM 0 HG23 ILE A 50 23.935 10.654 9.817 1.00 32.64 H new ATOM 0 HD11 ILE A 50 20.767 13.177 9.586 1.00 29.54 H new ATOM 0 HD12 ILE A 50 20.837 12.311 8.262 1.00 29.54 H new ATOM 0 HD13 ILE A 50 21.225 11.663 9.654 1.00 29.54 H new ATOM 399 N GLY A 51 25.783 11.026 6.325 1.00 40.23 N ATOM 400 CA GLY A 51 26.548 9.981 5.664 1.00 40.43 C ATOM 401 C GLY A 51 26.195 8.503 5.779 1.00 39.19 C ATOM 402 O GLY A 51 26.751 7.687 5.060 1.00 44.77 O ATOM 0 H GLY A 51 25.316 11.501 5.782 1.00 40.23 H new ATOM 0 HA2 GLY A 51 26.545 10.193 4.717 1.00 40.43 H new ATOM 0 HA3 GLY A 51 27.463 10.071 5.972 1.00 40.43 H new ATOM 403 N ARG A 52 25.314 8.111 6.671 1.00 31.52 N ATOM 404 CA ARG A 52 24.965 6.709 6.798 1.00 29.57 C ATOM 405 C ARG A 52 23.539 6.760 7.213 1.00 28.14 C ATOM 406 O ARG A 52 23.067 7.786 7.647 1.00 28.10 O ATOM 407 CB ARG A 52 25.713 5.900 7.881 1.00 30.72 C ATOM 408 CG ARG A 52 26.285 6.766 9.010 1.00 41.60 C ATOM 409 CD ARG A 52 26.626 6.012 10.301 1.00 48.39 C ATOM 410 NE ARG A 52 27.163 6.867 11.339 0.00 20.00 N ATOM 411 CZ ARG A 52 27.520 6.410 12.533 0.00 20.00 C ATOM 412 NH1 ARG A 52 27.395 5.121 12.814 0.00 20.00 N ATOM 413 NH2 ARG A 52 28.003 7.244 13.444 0.00 20.00 N ATOM 0 H ARG A 52 24.904 8.637 7.214 1.00 31.52 H new ATOM 0 HA ARG A 52 25.184 6.263 5.965 1.00 29.57 H new ATOM 0 HB2 ARG A 52 25.107 5.246 8.261 1.00 30.72 H new ATOM 0 HB3 ARG A 52 26.437 5.407 7.463 1.00 30.72 H new ATOM 0 HG2 ARG A 52 27.087 7.205 8.687 1.00 41.60 H new ATOM 0 HG3 ARG A 52 25.645 7.464 9.219 1.00 41.60 H new ATOM 0 HD2 ARG A 52 25.827 5.574 10.633 1.00 48.39 H new ATOM 0 HD3 ARG A 52 27.269 5.314 10.100 1.00 48.39 H new ATOM 0 HE ARG A 52 27.254 7.706 11.175 0.00 20.00 H new ATOM 0 HH11 ARG A 52 27.083 4.580 12.223 0.00 20.00 H new ATOM 0 HH12 ARG A 52 27.626 4.825 13.588 0.00 20.00 H new ATOM 0 HH21 ARG A 52 28.085 8.080 13.261 0.00 20.00 H new ATOM 0 HH22 ARG A 52 28.234 6.949 14.218 0.00 20.00 H new ATOM 414 N PRO A 53 22.854 5.666 7.090 1.00 27.09 N ATOM 415 CA PRO A 53 21.473 5.656 7.464 1.00 21.94 C ATOM 416 C PRO A 53 21.372 5.700 8.973 1.00 24.69 C ATOM 417 O PRO A 53 22.244 5.217 9.687 1.00 23.04 O ATOM 418 CB PRO A 53 20.996 4.290 7.028 1.00 19.82 C ATOM 419 CG PRO A 53 22.018 3.701 6.073 1.00 17.77 C ATOM 420 CD PRO A 53 23.292 4.459 6.333 1.00 25.52 C ATOM 0 HA PRO A 53 20.976 6.396 7.082 1.00 21.94 H new ATOM 0 HB2 PRO A 53 20.883 3.711 7.798 1.00 19.82 H new ATOM 0 HB3 PRO A 53 20.131 4.358 6.595 1.00 19.82 H new ATOM 0 HG2 PRO A 53 22.138 2.752 6.231 1.00 17.77 H new ATOM 0 HG3 PRO A 53 21.733 3.801 5.151 1.00 17.77 H new ATOM 0 HD2 PRO A 53 23.921 3.928 6.846 1.00 25.52 H new ATOM 0 HD3 PRO A 53 23.735 4.702 5.505 1.00 25.52 H new ATOM 421 N LEU A 54 20.294 6.256 9.447 1.00 21.27 N ATOM 422 CA LEU A 54 20.145 6.258 10.888 1.00 22.56 C ATOM 423 C LEU A 54 19.645 4.894 11.271 1.00 18.98 C ATOM 424 O LEU A 54 18.647 4.442 10.718 1.00 18.36 O ATOM 425 CB LEU A 54 19.060 7.210 11.353 1.00 22.37 C ATOM 426 CG LEU A 54 19.483 8.585 11.008 1.00 28.21 C ATOM 427 CD1 LEU A 54 18.502 9.448 11.762 1.00 30.46 C ATOM 428 CD2 LEU A 54 20.891 8.744 11.565 1.00 32.97 C ATOM 0 H LEU A 54 19.663 6.621 8.991 1.00 21.27 H new ATOM 0 HA LEU A 54 20.996 6.511 11.278 1.00 22.56 H new ATOM 0 HB2 LEU A 54 18.216 6.997 10.926 1.00 22.37 H new ATOM 0 HB3 LEU A 54 18.923 7.127 12.310 1.00 22.37 H new ATOM 0 HG LEU A 54 19.493 8.803 10.063 1.00 28.21 H new ATOM 0 HD11 LEU A 54 18.700 10.383 11.597 1.00 30.46 H new ATOM 0 HD12 LEU A 54 17.601 9.251 11.462 1.00 30.46 H new ATOM 0 HD13 LEU A 54 18.574 9.265 12.712 1.00 30.46 H new ATOM 0 HD21 LEU A 54 21.219 9.635 11.365 1.00 32.97 H new ATOM 0 HD22 LEU A 54 20.876 8.613 12.526 1.00 32.97 H new ATOM 0 HD23 LEU A 54 21.476 8.086 11.159 1.00 32.97 H new ATOM 429 N PRO A 55 20.359 4.277 12.225 1.00 21.46 N ATOM 430 CA PRO A 55 20.015 2.982 12.679 1.00 21.37 C ATOM 431 C PRO A 55 18.685 2.977 13.412 1.00 34.46 C ATOM 432 O PRO A 55 18.294 3.910 14.103 1.00 46.85 O ATOM 433 CB PRO A 55 21.103 2.544 13.632 1.00 24.40 C ATOM 434 CG PRO A 55 22.070 3.678 13.819 1.00 27.23 C ATOM 435 CD PRO A 55 21.585 4.773 12.894 1.00 25.94 C ATOM 0 HA PRO A 55 19.931 2.385 11.919 1.00 21.37 H new ATOM 0 HB2 PRO A 55 20.719 2.287 14.485 1.00 24.40 H new ATOM 0 HB3 PRO A 55 21.563 1.765 13.281 1.00 24.40 H new ATOM 0 HG2 PRO A 55 22.083 3.979 14.741 1.00 27.23 H new ATOM 0 HG3 PRO A 55 22.974 3.407 13.597 1.00 27.23 H new ATOM 0 HD2 PRO A 55 21.398 5.584 13.393 1.00 25.94 H new ATOM 0 HD3 PRO A 55 22.266 4.994 12.239 1.00 25.94 H new ATOM 436 N GLY A 56 17.966 1.904 13.259 1.00 32.25 N ATOM 437 CA GLY A 56 16.723 1.776 13.971 1.00 37.59 C ATOM 438 C GLY A 56 15.710 2.862 13.770 1.00 50.48 C ATOM 439 O GLY A 56 15.057 3.288 14.769 1.00 51.83 O ATOM 0 H GLY A 56 18.172 1.240 12.753 1.00 32.25 H new ATOM 0 HA2 GLY A 56 16.316 0.933 13.718 1.00 37.59 H new ATOM 0 HA3 GLY A 56 16.922 1.721 14.919 1.00 37.59 H new ATOM 440 N ARG A 57 15.624 3.213 12.454 1.00 50.90 N ATOM 441 CA ARG A 57 14.747 4.196 11.799 1.00 38.74 C ATOM 442 C ARG A 57 14.656 3.936 10.297 1.00 47.36 C ATOM 443 O ARG A 57 15.657 3.770 9.575 1.00 52.48 O ATOM 444 CB ARG A 57 15.135 5.649 12.123 1.00 31.05 C ATOM 445 CG ARG A 57 15.255 5.829 13.631 1.00 25.06 C ATOM 446 CD ARG A 57 16.178 6.891 14.174 1.00 24.33 C ATOM 447 NE ARG A 57 17.303 6.294 14.864 1.00 35.86 N ATOM 448 CZ ARG A 57 18.304 6.989 15.485 1.00 52.09 C ATOM 449 NH1 ARG A 57 18.338 8.334 15.512 1.00 55.70 N ATOM 450 NH2 ARG A 57 19.322 6.339 16.099 1.00 56.59 N ATOM 0 H ARG A 57 16.136 2.834 11.877 1.00 50.90 H new ATOM 0 HA ARG A 57 13.858 4.076 12.168 1.00 38.74 H new ATOM 0 HB2 ARG A 57 15.977 5.871 11.695 1.00 31.05 H new ATOM 0 HB3 ARG A 57 14.468 6.257 11.769 1.00 31.05 H new ATOM 0 HG2 ARG A 57 14.366 6.011 13.975 1.00 25.06 H new ATOM 0 HG3 ARG A 57 15.536 4.979 14.005 1.00 25.06 H new ATOM 0 HD2 ARG A 57 16.498 7.449 13.448 1.00 24.33 H new ATOM 0 HD3 ARG A 57 15.690 7.469 14.782 1.00 24.33 H new ATOM 0 HE ARG A 57 17.345 5.435 14.885 1.00 35.86 H new ATOM 0 HH11 ARG A 57 17.715 8.788 15.130 1.00 55.70 H new ATOM 0 HH12 ARG A 57 18.982 8.740 15.912 1.00 55.70 H new ATOM 0 HH21 ARG A 57 19.344 5.479 16.101 1.00 56.59 H new ATOM 0 HH22 ARG A 57 19.946 6.786 16.486 1.00 56.59 H new ATOM 451 N LYS A 58 13.434 3.889 9.765 1.00 43.50 N ATOM 452 CA LYS A 58 13.243 3.730 8.338 1.00 26.28 C ATOM 453 C LYS A 58 13.690 5.111 7.733 1.00 20.35 C ATOM 454 O LYS A 58 13.306 6.175 8.218 1.00 15.73 O ATOM 455 CB LYS A 58 11.813 3.326 8.152 1.00 25.80 C ATOM 456 CG LYS A 58 11.201 3.492 6.788 1.00 29.99 C ATOM 457 CD LYS A 58 9.908 2.683 6.691 1.00 42.13 C ATOM 458 CE LYS A 58 9.390 2.429 5.274 1.00 56.17 C ATOM 459 NZ LYS A 58 8.014 1.887 5.248 1.00 60.93 N ATOM 0 H LYS A 58 12.706 3.948 10.220 1.00 43.50 H new ATOM 0 HA LYS A 58 13.757 3.045 7.883 1.00 26.28 H new ATOM 0 HB2 LYS A 58 11.734 2.392 8.401 1.00 25.80 H new ATOM 0 HB3 LYS A 58 11.277 3.834 8.781 1.00 25.80 H new ATOM 0 HG2 LYS A 58 11.018 4.430 6.620 1.00 29.99 H new ATOM 0 HG3 LYS A 58 11.826 3.199 6.107 1.00 29.99 H new ATOM 0 HD2 LYS A 58 10.048 1.827 7.125 1.00 42.13 H new ATOM 0 HD3 LYS A 58 9.218 3.145 7.192 1.00 42.13 H new ATOM 0 HE2 LYS A 58 9.414 3.259 4.773 1.00 56.17 H new ATOM 0 HE3 LYS A 58 9.985 1.809 4.824 1.00 56.17 H new ATOM 0 HZ1 LYS A 58 7.546 2.295 4.611 1.00 60.93 H new ATOM 0 HZ2 LYS A 58 8.042 1.013 5.081 1.00 60.93 H new ATOM 0 HZ3 LYS A 58 7.625 2.026 6.036 1.00 60.93 H new ATOM 460 N ASN A 59 14.573 5.136 6.731 1.00 18.99 N ATOM 461 CA ASN A 59 15.107 6.380 6.139 1.00 12.96 C ATOM 462 C ASN A 59 14.589 6.756 4.743 1.00 16.31 C ATOM 463 O ASN A 59 14.790 6.065 3.734 1.00 14.24 O ATOM 464 CB ASN A 59 16.653 6.382 6.168 1.00 13.53 C ATOM 465 CG ASN A 59 17.379 6.292 7.516 1.00 16.41 C ATOM 466 OD1 ASN A 59 18.353 7.021 7.747 1.00 17.36 O ATOM 467 ND2 ASN A 59 17.190 5.202 8.236 1.00 15.85 N ATOM 0 H ASN A 59 14.886 4.423 6.367 1.00 18.99 H new ATOM 0 HA ASN A 59 14.754 7.078 6.713 1.00 12.96 H new ATOM 0 HB2 ASN A 59 16.956 5.638 5.624 1.00 13.53 H new ATOM 0 HB3 ASN A 59 16.952 7.194 5.730 1.00 13.53 H new ATOM 0 HD21 ASN A 59 17.742 5.000 8.863 1.00 15.85 H new ATOM 0 HD22 ASN A 59 16.514 4.694 8.078 1.00 15.85 H new ATOM 468 N ILE A 60 13.919 7.908 4.651 1.00 13.51 N ATOM 469 CA ILE A 60 13.358 8.438 3.421 1.00 7.45 C ATOM 470 C ILE A 60 14.099 9.705 3.047 1.00 14.53 C ATOM 471 O ILE A 60 14.170 10.672 3.820 1.00 12.32 O ATOM 472 CB ILE A 60 11.924 8.639 3.603 1.00 7.04 C ATOM 473 CG1 ILE A 60 11.388 7.216 3.757 1.00 16.60 C ATOM 474 CG2 ILE A 60 11.356 9.196 2.321 1.00 9.23 C ATOM 475 CD1 ILE A 60 10.397 7.110 4.899 1.00 22.85 C ATOM 0 H ILE A 60 13.777 8.415 5.331 1.00 13.51 H new ATOM 0 HA ILE A 60 13.467 7.818 2.683 1.00 7.45 H new ATOM 0 HB ILE A 60 11.708 9.230 4.341 1.00 7.04 H new ATOM 0 HG12 ILE A 60 10.961 6.940 2.931 1.00 16.60 H new ATOM 0 HG13 ILE A 60 12.127 6.607 3.912 1.00 16.60 H new ATOM 0 HG21 ILE A 60 10.402 9.336 2.424 1.00 9.23 H new ATOM 0 HG22 ILE A 60 11.786 10.041 2.116 1.00 9.23 H new ATOM 0 HG23 ILE A 60 11.514 8.569 1.598 1.00 9.23 H new ATOM 0 HD11 ILE A 60 10.078 6.196 4.967 1.00 22.85 H new ATOM 0 HD12 ILE A 60 10.831 7.364 5.729 1.00 22.85 H new ATOM 0 HD13 ILE A 60 9.647 7.702 4.733 1.00 22.85 H new ATOM 476 N ILE A 61 14.695 9.645 1.851 1.00 9.90 N ATOM 477 CA ILE A 61 15.468 10.740 1.288 1.00 11.59 C ATOM 478 C ILE A 61 14.724 11.383 0.094 1.00 17.90 C ATOM 479 O ILE A 61 14.261 10.748 -0.844 1.00 21.83 O ATOM 480 CB ILE A 61 16.868 10.353 0.861 1.00 14.57 C ATOM 481 CG1 ILE A 61 17.822 9.879 1.968 1.00 19.13 C ATOM 482 CG2 ILE A 61 17.517 11.666 0.573 1.00 12.92 C ATOM 483 CD1 ILE A 61 17.276 9.017 3.049 1.00 19.49 C ATOM 0 H ILE A 61 14.657 8.953 1.342 1.00 9.90 H new ATOM 0 HA ILE A 61 15.563 11.382 2.009 1.00 11.59 H new ATOM 0 HB ILE A 61 16.759 9.664 0.187 1.00 14.57 H new ATOM 0 HG12 ILE A 61 18.550 9.397 1.545 1.00 19.13 H new ATOM 0 HG13 ILE A 61 18.207 10.666 2.384 1.00 19.13 H new ATOM 0 HG21 ILE A 61 18.432 11.519 0.287 1.00 12.92 H new ATOM 0 HG22 ILE A 61 17.028 12.121 -0.130 1.00 12.92 H new ATOM 0 HG23 ILE A 61 17.513 12.212 1.375 1.00 12.92 H new ATOM 0 HD11 ILE A 61 17.983 8.795 3.674 1.00 19.49 H new ATOM 0 HD12 ILE A 61 16.570 9.491 3.515 1.00 19.49 H new ATOM 0 HD13 ILE A 61 16.918 8.202 2.664 1.00 19.49 H new ATOM 484 N LEU A 62 14.578 12.693 0.115 1.00 10.41 N ATOM 485 CA LEU A 62 13.934 13.391 -0.959 1.00 14.29 C ATOM 486 C LEU A 62 15.014 13.912 -1.893 1.00 14.69 C ATOM 487 O LEU A 62 15.953 14.537 -1.407 1.00 10.14 O ATOM 488 CB LEU A 62 13.302 14.655 -0.375 1.00 20.08 C ATOM 489 CG LEU A 62 11.847 14.591 0.035 1.00 27.14 C ATOM 490 CD1 LEU A 62 11.653 15.757 0.998 1.00 31.62 C ATOM 491 CD2 LEU A 62 10.970 14.832 -1.218 1.00 27.17 C ATOM 0 H LEU A 62 14.852 13.198 0.755 1.00 10.41 H new ATOM 0 HA LEU A 62 13.296 12.808 -1.400 1.00 14.29 H new ATOM 0 HB2 LEU A 62 13.820 14.915 0.403 1.00 20.08 H new ATOM 0 HB3 LEU A 62 13.396 15.365 -1.029 1.00 20.08 H new ATOM 0 HG LEU A 62 11.610 13.738 0.432 1.00 27.14 H new ATOM 0 HD11 LEU A 62 10.732 15.775 1.303 1.00 31.62 H new ATOM 0 HD12 LEU A 62 12.243 15.649 1.760 1.00 31.62 H new ATOM 0 HD13 LEU A 62 11.860 16.589 0.545 1.00 31.62 H new ATOM 0 HD21 LEU A 62 10.033 14.794 -0.970 1.00 27.17 H new ATOM 0 HD22 LEU A 62 11.170 15.705 -1.590 1.00 27.17 H new ATOM 0 HD23 LEU A 62 11.157 14.148 -1.880 1.00 27.17 H new ATOM 492 N SER A 63 14.918 13.654 -3.224 1.00 16.89 N ATOM 493 CA SER A 63 15.913 14.139 -4.205 1.00 16.25 C ATOM 494 C SER A 63 15.223 14.244 -5.539 1.00 12.33 C ATOM 495 O SER A 63 14.357 13.440 -5.785 1.00 13.19 O ATOM 496 CB SER A 63 17.174 13.283 -4.405 1.00 16.79 C ATOM 497 OG SER A 63 17.986 13.876 -5.430 1.00 13.29 O ATOM 0 H SER A 63 14.278 13.197 -3.573 1.00 16.89 H new ATOM 0 HA SER A 63 16.233 14.979 -3.841 1.00 16.25 H new ATOM 0 HB2 SER A 63 17.673 13.223 -3.575 1.00 16.79 H new ATOM 0 HB3 SER A 63 16.928 12.378 -4.654 1.00 16.79 H new ATOM 0 HG SER A 63 18.138 14.679 -5.237 1.00 13.29 H new ATOM 498 N SER A 64 15.567 15.199 -6.371 1.00 10.63 N ATOM 499 CA SER A 64 14.925 15.257 -7.681 1.00 12.33 C ATOM 500 C SER A 64 15.599 14.159 -8.545 1.00 18.17 C ATOM 501 O SER A 64 15.042 13.641 -9.526 1.00 27.69 O ATOM 502 CB SER A 64 15.160 16.630 -8.355 1.00 13.04 C ATOM 503 OG SER A 64 16.566 16.804 -8.545 1.00 12.78 O ATOM 0 H SER A 64 16.151 15.811 -6.214 1.00 10.63 H new ATOM 0 HA SER A 64 13.968 15.127 -7.592 1.00 12.33 H new ATOM 0 HB2 SER A 64 14.697 16.672 -9.206 1.00 13.04 H new ATOM 0 HB3 SER A 64 14.803 17.343 -7.802 1.00 13.04 H new ATOM 0 HG SER A 64 16.917 17.057 -7.825 1.00 12.78 H new ATOM 504 N GLN A 65 16.810 13.769 -8.191 1.00 18.80 N ATOM 505 CA GLN A 65 17.569 12.770 -8.921 1.00 20.51 C ATOM 506 C GLN A 65 17.466 11.325 -8.429 1.00 24.26 C ATOM 507 O GLN A 65 16.996 11.088 -7.354 1.00 24.57 O ATOM 508 CB GLN A 65 19.037 13.249 -8.921 1.00 15.59 C ATOM 509 CG GLN A 65 19.081 14.728 -9.383 1.00 20.87 C ATOM 510 CD GLN A 65 18.483 14.890 -10.790 1.00 25.66 C ATOM 511 OE1 GLN A 65 19.022 14.190 -11.765 1.00 27.78 O flip ATOM 512 NE2 GLN A 65 17.529 15.618 -11.010 1.00 22.81 N flip ATOM 0 H GLN A 65 17.223 14.083 -7.506 1.00 18.80 H new ATOM 0 HA GLN A 65 17.181 12.712 -9.808 1.00 20.51 H new ATOM 0 HB2 GLN A 65 19.418 13.163 -8.033 1.00 15.59 H new ATOM 0 HB3 GLN A 65 19.570 12.696 -9.513 1.00 15.59 H new ATOM 0 HG2 GLN A 65 18.590 15.280 -8.755 1.00 20.87 H new ATOM 0 HG3 GLN A 65 19.998 15.043 -9.381 1.00 20.87 H new ATOM 0 HE21 GLN A 65 17.179 16.074 -10.370 1.00 22.81 H new ATOM 0 HE22 GLN A 65 17.206 15.675 -11.805 1.00 22.81 H new ATOM 513 N PRO A 66 17.913 10.351 -9.205 1.00 25.53 N ATOM 514 CA PRO A 66 17.875 8.966 -8.800 1.00 27.89 C ATOM 515 C PRO A 66 18.756 8.763 -7.596 1.00 20.95 C ATOM 516 O PRO A 66 19.772 9.427 -7.471 1.00 24.50 O ATOM 517 CB PRO A 66 18.489 8.182 -9.968 1.00 28.03 C ATOM 518 CG PRO A 66 18.385 9.091 -11.183 1.00 30.33 C ATOM 519 CD PRO A 66 18.056 10.476 -10.686 1.00 31.17 C ATOM 0 HA PRO A 66 16.972 8.686 -8.584 1.00 27.89 H new ATOM 0 HB2 PRO A 66 19.413 7.952 -9.784 1.00 28.03 H new ATOM 0 HB3 PRO A 66 18.014 7.349 -10.115 1.00 28.03 H new ATOM 0 HG2 PRO A 66 19.219 9.095 -11.678 1.00 30.33 H new ATOM 0 HG3 PRO A 66 17.697 8.774 -11.789 1.00 30.33 H new ATOM 0 HD2 PRO A 66 18.758 11.105 -10.916 1.00 31.17 H new ATOM 0 HD3 PRO A 66 17.237 10.805 -11.088 1.00 31.17 H new ATOM 520 N GLY A 67 18.364 7.855 -6.724 1.00 16.81 N ATOM 521 CA GLY A 67 19.129 7.608 -5.532 1.00 14.35 C ATOM 522 C GLY A 67 20.364 6.816 -5.779 1.00 20.18 C ATOM 523 O GLY A 67 20.389 6.025 -6.719 1.00 25.22 O ATOM 0 H GLY A 67 17.657 7.373 -6.807 1.00 16.81 H new ATOM 0 HA2 GLY A 67 19.372 8.456 -5.129 1.00 14.35 H new ATOM 0 HA3 GLY A 67 18.574 7.138 -4.890 1.00 14.35 H new ATOM 524 N THR A 68 21.334 7.077 -4.919 1.00 16.01 N ATOM 525 CA THR A 68 22.639 6.491 -4.939 1.00 26.32 C ATOM 526 C THR A 68 22.994 5.673 -3.674 1.00 29.04 C ATOM 527 O THR A 68 24.150 5.542 -3.255 1.00 31.31 O ATOM 528 CB THR A 68 23.700 7.607 -5.037 1.00 34.13 C ATOM 529 OG1 THR A 68 23.590 8.441 -3.908 1.00 39.48 O ATOM 530 CG2 THR A 68 23.595 8.447 -6.307 1.00 34.02 C ATOM 0 H THR A 68 21.232 7.636 -4.273 1.00 16.01 H new ATOM 0 HA THR A 68 22.634 5.891 -5.701 1.00 26.32 H new ATOM 0 HB THR A 68 24.566 7.172 -5.072 1.00 34.13 H new ATOM 0 HG1 THR A 68 23.287 9.189 -4.140 1.00 39.48 H new ATOM 0 HG21 THR A 68 24.288 9.126 -6.304 1.00 34.02 H new ATOM 0 HG22 THR A 68 23.706 7.876 -7.083 1.00 34.02 H new ATOM 0 HG23 THR A 68 22.725 8.874 -6.342 1.00 34.02 H new ATOM 531 N ASP A 69 22.023 5.105 -3.051 1.00 21.61 N ATOM 532 CA ASP A 69 22.319 4.337 -1.885 1.00 16.99 C ATOM 533 C ASP A 69 21.046 3.589 -1.626 1.00 17.95 C ATOM 534 O ASP A 69 20.042 4.209 -1.213 1.00 16.88 O ATOM 535 CB ASP A 69 22.824 5.123 -0.682 1.00 16.76 C ATOM 536 CG ASP A 69 23.346 4.205 0.372 1.00 18.59 C ATOM 537 OD1 ASP A 69 22.851 3.084 0.559 1.00 22.55 O ATOM 538 OD2 ASP A 69 24.246 4.740 1.183 1.00 29.45 O ATOM 0 H ASP A 69 21.194 5.144 -3.275 1.00 21.61 H new ATOM 0 HA ASP A 69 23.080 3.755 -2.038 1.00 16.99 H new ATOM 0 HB2 ASP A 69 23.524 5.733 -0.961 1.00 16.76 H new ATOM 0 HB3 ASP A 69 22.105 5.663 -0.319 1.00 16.76 H new ATOM 539 N ASP A 70 21.174 2.283 -1.968 1.00 15.21 N ATOM 540 CA ASP A 70 20.130 1.285 -1.886 1.00 19.47 C ATOM 541 C ASP A 70 19.783 0.986 -0.447 1.00 16.64 C ATOM 542 O ASP A 70 18.798 0.365 -0.197 1.00 21.56 O ATOM 543 CB ASP A 70 20.285 0.004 -2.802 1.00 18.37 C ATOM 544 CG ASP A 70 20.221 0.297 -4.259 1.00 17.04 C ATOM 545 OD1 ASP A 70 19.940 1.408 -4.653 1.00 16.50 O ATOM 546 OD2 ASP A 70 20.502 -0.677 -5.049 1.00 18.70 O ATOM 0 H ASP A 70 21.914 1.962 -2.265 1.00 15.21 H new ATOM 0 HA ASP A 70 19.358 1.701 -2.301 1.00 19.47 H new ATOM 0 HB2 ASP A 70 21.132 -0.425 -2.604 1.00 18.37 H new ATOM 0 HB3 ASP A 70 19.587 -0.631 -2.577 1.00 18.37 H new ATOM 547 N ARG A 71 20.547 1.468 0.481 1.00 15.92 N ATOM 548 CA ARG A 71 20.195 1.236 1.861 1.00 22.81 C ATOM 549 C ARG A 71 19.045 2.074 2.348 1.00 22.59 C ATOM 550 O ARG A 71 18.449 1.716 3.357 1.00 21.95 O ATOM 551 CB ARG A 71 21.348 1.509 2.773 1.00 24.21 C ATOM 552 CG ARG A 71 22.404 0.446 2.581 1.00 24.54 C ATOM 553 CD ARG A 71 23.691 0.842 3.293 1.00 27.07 C ATOM 554 NE ARG A 71 24.174 2.193 2.966 1.00 20.70 N ATOM 555 CZ ARG A 71 25.124 2.740 3.733 1.00 30.41 C ATOM 556 NH1 ARG A 71 25.629 2.081 4.795 1.00 34.07 N ATOM 557 NH2 ARG A 71 25.579 3.970 3.437 1.00 30.67 N ATOM 0 H ARG A 71 21.263 1.925 0.350 1.00 15.92 H new ATOM 0 HA ARG A 71 19.935 0.302 1.884 1.00 22.81 H new ATOM 0 HB2 ARG A 71 21.720 2.385 2.587 1.00 24.21 H new ATOM 0 HB3 ARG A 71 21.048 1.518 3.695 1.00 24.21 H new ATOM 0 HG2 ARG A 71 22.084 -0.402 2.926 1.00 24.54 H new ATOM 0 HG3 ARG A 71 22.576 0.320 1.635 1.00 24.54 H new ATOM 0 HD2 ARG A 71 23.549 0.784 4.251 1.00 27.07 H new ATOM 0 HD3 ARG A 71 24.383 0.200 3.069 1.00 27.07 H new ATOM 0 HE ARG A 71 23.852 2.623 2.294 1.00 20.70 H new ATOM 0 HH11 ARG A 71 25.341 1.294 4.990 1.00 34.07 H new ATOM 0 HH12 ARG A 71 26.239 2.447 5.278 1.00 34.07 H new ATOM 0 HH21 ARG A 71 25.260 4.396 2.761 1.00 30.67 H new ATOM 0 HH22 ARG A 71 26.189 4.331 3.923 1.00 30.67 H new ATOM 558 N VAL A 72 18.716 3.177 1.644 1.00 18.45 N ATOM 559 CA VAL A 72 17.624 4.034 2.084 1.00 15.07 C ATOM 560 C VAL A 72 16.513 4.138 1.034 1.00 17.61 C ATOM 561 O VAL A 72 16.716 3.609 -0.053 1.00 14.35 O ATOM 562 CB VAL A 72 18.207 5.416 2.446 1.00 15.89 C ATOM 563 CG1 VAL A 72 19.086 5.232 3.668 1.00 14.18 C ATOM 564 CG2 VAL A 72 19.084 5.967 1.324 1.00 14.75 C ATOM 0 H VAL A 72 19.111 3.433 0.924 1.00 18.45 H new ATOM 0 HA VAL A 72 17.205 3.644 2.867 1.00 15.07 H new ATOM 0 HB VAL A 72 17.476 6.034 2.600 1.00 15.89 H new ATOM 0 HG11 VAL A 72 19.469 6.086 3.923 1.00 14.18 H new ATOM 0 HG12 VAL A 72 18.553 4.886 4.401 1.00 14.18 H new ATOM 0 HG13 VAL A 72 19.798 4.606 3.463 1.00 14.18 H new ATOM 0 HG21 VAL A 72 19.434 6.834 1.583 1.00 14.75 H new ATOM 0 HG22 VAL A 72 19.821 5.358 1.160 1.00 14.75 H new ATOM 0 HG23 VAL A 72 18.556 6.060 0.516 1.00 14.75 H new ATOM 565 N THR A 73 15.375 4.779 1.344 1.00 10.86 N ATOM 566 CA THR A 73 14.338 4.914 0.347 1.00 16.30 C ATOM 567 C THR A 73 14.399 6.314 -0.239 1.00 20.30 C ATOM 568 O THR A 73 14.411 7.288 0.483 1.00 20.88 O ATOM 569 CB THR A 73 13.026 4.717 1.019 1.00 14.62 C ATOM 570 OG1 THR A 73 13.063 3.428 1.499 1.00 17.80 O ATOM 571 CG2 THR A 73 11.835 5.006 0.118 1.00 15.39 C ATOM 0 H THR A 73 15.199 5.130 2.109 1.00 10.86 H new ATOM 0 HA THR A 73 14.455 4.262 -0.362 1.00 16.30 H new ATOM 0 HB THR A 73 12.895 5.353 1.739 1.00 14.62 H new ATOM 0 HG1 THR A 73 13.425 3.421 2.257 1.00 17.80 H new ATOM 0 HG21 THR A 73 11.013 4.860 0.611 1.00 15.39 H new ATOM 0 HG22 THR A 73 11.872 5.928 -0.182 1.00 15.39 H new ATOM 0 HG23 THR A 73 11.859 4.415 -0.651 1.00 15.39 H new ATOM 572 N TRP A 74 14.436 6.421 -1.556 1.00 12.72 N ATOM 573 CA TRP A 74 14.527 7.725 -2.232 1.00 11.80 C ATOM 574 C TRP A 74 13.201 8.077 -2.808 1.00 15.33 C ATOM 575 O TRP A 74 12.634 7.218 -3.409 1.00 14.83 O ATOM 576 CB TRP A 74 15.541 7.581 -3.383 1.00 13.35 C ATOM 577 CG TRP A 74 16.905 7.317 -2.863 1.00 12.88 C ATOM 578 CD1 TRP A 74 17.416 6.130 -2.423 1.00 17.07 C ATOM 579 CD2 TRP A 74 17.920 8.288 -2.641 1.00 12.31 C ATOM 580 NE1 TRP A 74 18.717 6.300 -1.972 1.00 12.54 N ATOM 581 CE2 TRP A 74 19.020 7.618 -2.114 1.00 11.62 C ATOM 582 CE3 TRP A 74 17.977 9.674 -2.867 1.00 14.37 C ATOM 583 CZ2 TRP A 74 20.189 8.295 -1.797 1.00 14.39 C ATOM 584 CZ3 TRP A 74 19.129 10.325 -2.576 1.00 12.88 C ATOM 585 CH2 TRP A 74 20.228 9.628 -2.046 1.00 13.45 C ATOM 0 H TRP A 74 14.410 5.748 -2.091 1.00 12.72 H new ATOM 0 HA TRP A 74 14.800 8.414 -1.606 1.00 11.80 H new ATOM 0 HB2 TRP A 74 15.269 6.857 -3.969 1.00 13.35 H new ATOM 0 HB3 TRP A 74 15.546 8.391 -3.917 1.00 13.35 H new ATOM 0 HD1 TRP A 74 16.957 5.321 -2.425 1.00 17.07 H new ATOM 0 HE1 TRP A 74 19.234 5.687 -1.661 1.00 12.54 H new ATOM 0 HE3 TRP A 74 17.243 10.132 -3.207 1.00 14.37 H new ATOM 0 HZ2 TRP A 74 20.918 7.852 -1.428 1.00 14.39 H new ATOM 0 HZ3 TRP A 74 19.193 11.240 -2.728 1.00 12.88 H new ATOM 0 HH2 TRP A 74 21.009 10.097 -1.859 1.00 13.45 H new ATOM 586 N VAL A 75 12.705 9.313 -2.616 1.00 10.16 N ATOM 587 CA VAL A 75 11.448 9.721 -3.139 1.00 17.00 C ATOM 588 C VAL A 75 11.660 11.031 -3.870 1.00 16.87 C ATOM 589 O VAL A 75 12.617 11.758 -3.548 1.00 16.71 O ATOM 590 CB VAL A 75 10.385 9.835 -2.027 1.00 21.43 C ATOM 591 CG1 VAL A 75 10.142 8.429 -1.477 1.00 18.23 C ATOM 592 CG2 VAL A 75 10.918 10.719 -0.881 1.00 14.75 C ATOM 0 H VAL A 75 13.114 9.925 -2.170 1.00 10.16 H new ATOM 0 HA VAL A 75 11.106 9.057 -3.757 1.00 17.00 H new ATOM 0 HB VAL A 75 9.571 10.226 -2.382 1.00 21.43 H new ATOM 0 HG11 VAL A 75 9.476 8.467 -0.773 1.00 18.23 H new ATOM 0 HG12 VAL A 75 9.826 7.853 -2.190 1.00 18.23 H new ATOM 0 HG13 VAL A 75 10.970 8.074 -1.118 1.00 18.23 H new ATOM 0 HG21 VAL A 75 10.246 10.787 -0.185 1.00 14.75 H new ATOM 0 HG22 VAL A 75 11.724 10.322 -0.514 1.00 14.75 H new ATOM 0 HG23 VAL A 75 11.120 11.604 -1.222 1.00 14.75 H new ATOM 593 N LYS A 76 10.778 11.317 -4.820 1.00 13.81 N ATOM 594 CA LYS A 76 10.857 12.545 -5.619 1.00 21.05 C ATOM 595 C LYS A 76 9.861 13.630 -5.299 1.00 24.27 C ATOM 596 O LYS A 76 9.750 14.592 -6.041 1.00 20.29 O ATOM 597 CB LYS A 76 10.791 12.251 -7.105 1.00 18.91 C ATOM 598 CG LYS A 76 11.978 11.370 -7.459 1.00 24.90 C ATOM 599 CD LYS A 76 12.048 11.148 -8.957 1.00 36.11 C ATOM 600 CE LYS A 76 13.321 10.466 -9.432 1.00 46.54 C ATOM 601 NZ LYS A 76 13.154 9.001 -9.607 1.00 53.04 N ATOM 0 H LYS A 76 10.115 10.808 -5.023 1.00 13.81 H new ATOM 0 HA LYS A 76 11.723 12.900 -5.364 1.00 21.05 H new ATOM 0 HB2 LYS A 76 9.959 11.805 -7.326 1.00 18.91 H new ATOM 0 HB3 LYS A 76 10.815 13.075 -7.616 1.00 18.91 H new ATOM 0 HG2 LYS A 76 12.799 11.784 -7.149 1.00 24.90 H new ATOM 0 HG3 LYS A 76 11.902 10.517 -7.004 1.00 24.90 H new ATOM 0 HD2 LYS A 76 11.286 10.613 -9.230 1.00 36.11 H new ATOM 0 HD3 LYS A 76 11.967 12.005 -9.404 1.00 36.11 H new ATOM 0 HE2 LYS A 76 13.599 10.859 -10.274 1.00 46.54 H new ATOM 0 HE3 LYS A 76 14.031 10.633 -8.793 1.00 46.54 H new ATOM 0 HZ1 LYS A 76 13.687 8.717 -10.261 1.00 53.04 H new ATOM 0 HZ2 LYS A 76 13.367 8.585 -8.849 1.00 53.04 H new ATOM 0 HZ3 LYS A 76 12.308 8.821 -9.816 1.00 53.04 H new ATOM 602 N SER A 77 9.121 13.516 -4.208 1.00 17.06 N ATOM 603 CA SER A 77 8.186 14.563 -3.897 1.00 10.35 C ATOM 604 C SER A 77 7.688 14.371 -2.491 1.00 14.26 C ATOM 605 O SER A 77 7.829 13.285 -1.970 1.00 14.16 O ATOM 606 CB SER A 77 6.949 14.573 -4.791 1.00 15.15 C ATOM 607 OG SER A 77 6.128 13.435 -4.543 1.00 18.84 O ATOM 0 H SER A 77 9.147 12.859 -3.653 1.00 17.06 H new ATOM 0 HA SER A 77 8.667 15.395 -4.027 1.00 10.35 H new ATOM 0 HB2 SER A 77 6.440 15.383 -4.634 1.00 15.15 H new ATOM 0 HB3 SER A 77 7.219 14.584 -5.722 1.00 15.15 H new ATOM 0 HG SER A 77 6.428 12.775 -4.968 1.00 18.84 H new ATOM 608 N VAL A 78 7.103 15.444 -1.966 1.00 14.09 N ATOM 609 CA VAL A 78 6.533 15.478 -0.635 1.00 16.97 C ATOM 610 C VAL A 78 5.483 14.436 -0.468 1.00 15.65 C ATOM 611 O VAL A 78 5.499 13.616 0.479 1.00 21.39 O ATOM 612 CB VAL A 78 5.989 16.860 -0.332 1.00 19.19 C ATOM 613 CG1 VAL A 78 5.195 16.770 0.971 1.00 15.71 C ATOM 614 CG2 VAL A 78 7.230 17.752 -0.148 1.00 14.23 C ATOM 0 H VAL A 78 7.027 16.189 -2.389 1.00 14.09 H new ATOM 0 HA VAL A 78 7.237 15.280 0.002 1.00 16.97 H new ATOM 0 HB VAL A 78 5.409 17.211 -1.026 1.00 19.19 H new ATOM 0 HG11 VAL A 78 4.834 17.643 1.191 1.00 15.71 H new ATOM 0 HG12 VAL A 78 4.468 16.137 0.864 1.00 15.71 H new ATOM 0 HG13 VAL A 78 5.779 16.473 1.686 1.00 15.71 H new ATOM 0 HG21 VAL A 78 6.950 18.659 0.050 1.00 14.23 H new ATOM 0 HG22 VAL A 78 7.767 17.412 0.585 1.00 14.23 H new ATOM 0 HG23 VAL A 78 7.756 17.747 -0.963 1.00 14.23 H new ATOM 615 N ASP A 79 4.567 14.394 -1.395 1.00 13.59 N ATOM 616 CA ASP A 79 3.564 13.358 -1.280 1.00 18.07 C ATOM 617 C ASP A 79 4.121 11.946 -1.273 1.00 20.43 C ATOM 618 O ASP A 79 3.678 11.056 -0.597 1.00 16.82 O ATOM 619 CB ASP A 79 2.472 13.457 -2.331 1.00 25.29 C ATOM 620 CG ASP A 79 1.799 14.802 -2.353 1.00 39.66 C ATOM 621 OD1 ASP A 79 1.537 15.319 -1.189 1.00 44.53 O ATOM 622 OD2 ASP A 79 1.405 15.293 -3.367 1.00 47.71 O ATOM 0 H ASP A 79 4.500 14.923 -2.070 1.00 13.59 H new ATOM 0 HA ASP A 79 3.176 13.527 -0.407 1.00 18.07 H new ATOM 0 HB2 ASP A 79 2.853 13.277 -3.205 1.00 25.29 H new ATOM 0 HB3 ASP A 79 1.807 12.771 -2.165 1.00 25.29 H new ATOM 623 N GLU A 80 5.123 11.684 -2.068 1.00 18.18 N ATOM 624 CA GLU A 80 5.583 10.346 -2.016 1.00 15.48 C ATOM 625 C GLU A 80 6.347 10.133 -0.759 1.00 14.74 C ATOM 626 O GLU A 80 6.473 9.005 -0.326 1.00 17.13 O ATOM 627 CB GLU A 80 6.607 10.103 -3.122 1.00 29.05 C ATOM 628 CG GLU A 80 6.046 9.940 -4.529 1.00 41.69 C ATOM 629 CD GLU A 80 7.104 10.167 -5.572 1.00 49.42 C ATOM 630 OE1 GLU A 80 8.297 9.548 -5.332 1.00 44.26 O ATOM 631 OE2 GLU A 80 6.842 10.894 -6.527 1.00 51.34 O ATOM 0 H GLU A 80 5.522 12.224 -2.605 1.00 18.18 H new ATOM 0 HA GLU A 80 4.808 9.767 -2.092 1.00 15.48 H new ATOM 0 HB2 GLU A 80 7.233 10.844 -3.127 1.00 29.05 H new ATOM 0 HB3 GLU A 80 7.113 9.305 -2.900 1.00 29.05 H new ATOM 0 HG2 GLU A 80 5.676 9.049 -4.630 1.00 41.69 H new ATOM 0 HG3 GLU A 80 5.318 10.567 -4.663 1.00 41.69 H new ATOM 632 N ALA A 81 6.936 11.195 -0.207 1.00 13.80 N ATOM 633 CA ALA A 81 7.694 10.884 0.978 1.00 14.90 C ATOM 634 C ALA A 81 6.778 10.345 2.072 1.00 15.17 C ATOM 635 O ALA A 81 7.118 9.450 2.775 1.00 20.14 O ATOM 636 CB ALA A 81 8.340 12.131 1.488 1.00 11.38 C ATOM 0 H ALA A 81 6.913 12.013 -0.472 1.00 13.80 H new ATOM 0 HA ALA A 81 8.360 10.216 0.752 1.00 14.90 H new ATOM 0 HB1 ALA A 81 8.852 11.927 2.286 1.00 11.38 H new ATOM 0 HB2 ALA A 81 8.931 12.491 0.808 1.00 11.38 H new ATOM 0 HB3 ALA A 81 7.657 12.786 1.701 1.00 11.38 H new ATOM 637 N ILE A 82 5.627 10.950 2.162 1.00 17.75 N ATOM 638 CA ILE A 82 4.595 10.646 3.128 1.00 19.17 C ATOM 639 C ILE A 82 4.075 9.236 2.972 1.00 19.58 C ATOM 640 O ILE A 82 3.982 8.443 3.930 1.00 18.95 O ATOM 641 CB ILE A 82 3.543 11.782 3.191 1.00 17.73 C ATOM 642 CG1 ILE A 82 4.184 13.057 3.793 1.00 17.04 C ATOM 643 CG2 ILE A 82 2.293 11.401 3.980 1.00 21.82 C ATOM 644 CD1 ILE A 82 3.381 14.283 3.438 1.00 22.35 C ATOM 0 H ILE A 82 5.406 11.590 1.632 1.00 17.75 H new ATOM 0 HA ILE A 82 4.973 10.634 4.021 1.00 19.17 H new ATOM 0 HB ILE A 82 3.255 11.950 2.280 1.00 17.73 H new ATOM 0 HG12 ILE A 82 4.240 12.971 4.758 1.00 17.04 H new ATOM 0 HG13 ILE A 82 5.091 13.154 3.464 1.00 17.04 H new ATOM 0 HG21 ILE A 82 1.673 12.147 3.985 1.00 21.82 H new ATOM 0 HG22 ILE A 82 1.870 10.633 3.565 1.00 21.82 H new ATOM 0 HG23 ILE A 82 2.540 11.180 4.892 1.00 21.82 H new ATOM 0 HD11 ILE A 82 3.800 15.068 3.825 1.00 22.35 H new ATOM 0 HD12 ILE A 82 3.345 14.378 2.473 1.00 22.35 H new ATOM 0 HD13 ILE A 82 2.481 14.193 3.787 1.00 22.35 H new ATOM 645 N ALA A 83 3.763 8.907 1.729 1.00 18.12 N ATOM 646 CA ALA A 83 3.287 7.600 1.424 1.00 15.83 C ATOM 647 C ALA A 83 4.352 6.565 1.717 1.00 15.64 C ATOM 648 O ALA A 83 4.088 5.462 2.146 1.00 18.14 O ATOM 649 CB ALA A 83 3.003 7.620 -0.061 1.00 17.18 C ATOM 0 H ALA A 83 3.825 9.437 1.055 1.00 18.12 H new ATOM 0 HA ALA A 83 2.506 7.373 1.952 1.00 15.83 H new ATOM 0 HB1 ALA A 83 2.672 6.752 -0.339 1.00 17.18 H new ATOM 0 HB2 ALA A 83 2.336 8.297 -0.254 1.00 17.18 H new ATOM 0 HB3 ALA A 83 3.819 7.824 -0.544 1.00 17.18 H new ATOM 650 N ALA A 84 5.611 6.879 1.481 1.00 17.41 N ATOM 651 CA ALA A 84 6.551 5.849 1.781 1.00 17.40 C ATOM 652 C ALA A 84 6.671 5.588 3.261 1.00 20.97 C ATOM 653 O ALA A 84 7.383 4.679 3.652 1.00 21.88 O ATOM 654 CB ALA A 84 7.978 6.165 1.339 1.00 15.05 C ATOM 0 H ALA A 84 5.917 7.621 1.173 1.00 17.41 H new ATOM 0 HA ALA A 84 6.194 5.089 1.296 1.00 17.40 H new ATOM 0 HB1 ALA A 84 8.561 5.426 1.573 1.00 15.05 H new ATOM 0 HB2 ALA A 84 7.997 6.300 0.379 1.00 15.05 H new ATOM 0 HB3 ALA A 84 8.284 6.971 1.784 1.00 15.05 H new ATOM 655 N CYS A 85 6.068 6.397 4.084 1.00 17.43 N ATOM 656 CA CYS A 85 6.231 6.173 5.509 1.00 23.02 C ATOM 657 C CYS A 85 5.238 5.163 6.016 1.00 27.99 C ATOM 658 O CYS A 85 5.371 4.569 7.069 1.00 28.94 O ATOM 659 CB CYS A 85 6.060 7.488 6.324 1.00 21.02 C ATOM 660 SG CYS A 85 7.499 8.541 6.187 1.00 21.51 S ATOM 0 H CYS A 85 5.573 7.064 3.861 1.00 17.43 H new ATOM 0 HA CYS A 85 7.133 5.838 5.633 1.00 23.02 H new ATOM 0 HB2 CYS A 85 5.277 7.966 6.008 1.00 21.02 H new ATOM 0 HB3 CYS A 85 5.903 7.273 7.257 1.00 21.02 H new ATOM 0 HG CYS A 85 7.562 8.990 5.076 1.00 21.51 H new ATOM 661 N GLY A 86 4.212 4.993 5.245 1.00 23.09 N ATOM 662 CA GLY A 86 3.247 4.047 5.696 1.00 26.50 C ATOM 663 C GLY A 86 2.356 4.589 6.795 1.00 30.41 C ATOM 664 O GLY A 86 2.265 5.776 7.093 1.00 33.68 O ATOM 0 H GLY A 86 4.056 5.388 4.497 1.00 23.09 H new ATOM 0 HA2 GLY A 86 2.696 3.772 4.946 1.00 26.50 H new ATOM 0 HA3 GLY A 86 3.704 3.255 6.018 1.00 26.50 H new ATOM 665 N ASP A 87 1.664 3.675 7.414 1.00 32.16 N ATOM 666 CA ASP A 87 0.737 4.019 8.486 1.00 37.61 C ATOM 667 C ASP A 87 1.464 3.948 9.835 1.00 29.39 C ATOM 668 O ASP A 87 1.547 2.882 10.484 1.00 34.60 O ATOM 669 CB ASP A 87 -0.505 3.072 8.338 1.00 46.63 C ATOM 670 CG ASP A 87 -1.729 3.685 8.929 1.00 61.42 C ATOM 671 OD1 ASP A 87 -1.823 4.958 8.648 1.00 66.84 O ATOM 672 OD2 ASP A 87 -2.390 3.158 9.805 1.00 71.62 O ATOM 0 H ASP A 87 1.708 2.835 7.236 1.00 32.16 H new ATOM 0 HA ASP A 87 0.410 4.931 8.435 1.00 37.61 H new ATOM 0 HB2 ASP A 87 -0.658 2.880 7.399 1.00 46.63 H new ATOM 0 HB3 ASP A 87 -0.322 2.225 8.774 1.00 46.63 H new ATOM 673 N VAL A 88 2.058 5.041 10.252 1.00 16.79 N ATOM 674 CA VAL A 88 2.814 5.037 11.495 1.00 10.76 C ATOM 675 C VAL A 88 2.270 6.103 12.398 1.00 16.92 C ATOM 676 O VAL A 88 1.638 7.024 11.916 1.00 18.33 O ATOM 677 CB VAL A 88 4.266 5.316 11.248 1.00 15.04 C ATOM 678 CG1 VAL A 88 4.872 4.192 10.403 1.00 17.93 C ATOM 679 CG2 VAL A 88 4.374 6.722 10.633 1.00 9.35 C ATOM 0 H VAL A 88 2.041 5.795 9.839 1.00 16.79 H new ATOM 0 HA VAL A 88 2.730 4.160 11.901 1.00 10.76 H new ATOM 0 HB VAL A 88 4.788 5.322 12.065 1.00 15.04 H new ATOM 0 HG11 VAL A 88 5.811 4.376 10.245 1.00 17.93 H new ATOM 0 HG12 VAL A 88 4.783 3.349 10.874 1.00 17.93 H new ATOM 0 HG13 VAL A 88 4.406 4.138 9.554 1.00 17.93 H new ATOM 0 HG21 VAL A 88 5.306 6.930 10.462 1.00 9.35 H new ATOM 0 HG22 VAL A 88 3.879 6.750 9.799 1.00 9.35 H new ATOM 0 HG23 VAL A 88 4.005 7.374 11.249 1.00 9.35 H new ATOM 680 N PRO A 89 2.488 5.974 13.698 1.00 14.95 N ATOM 681 CA PRO A 89 1.932 6.994 14.543 1.00 16.53 C ATOM 682 C PRO A 89 2.569 8.383 14.363 1.00 18.66 C ATOM 683 O PRO A 89 1.913 9.417 14.467 1.00 18.20 O ATOM 684 CB PRO A 89 2.088 6.503 15.964 1.00 17.51 C ATOM 685 CG PRO A 89 2.684 5.086 15.930 1.00 21.85 C ATOM 686 CD PRO A 89 2.878 4.728 14.479 1.00 15.80 C ATOM 0 HA PRO A 89 1.002 7.130 14.302 1.00 16.53 H new ATOM 0 HB2 PRO A 89 2.666 7.100 16.465 1.00 17.51 H new ATOM 0 HB3 PRO A 89 1.229 6.496 16.414 1.00 17.51 H new ATOM 0 HG2 PRO A 89 3.528 5.057 16.407 1.00 21.85 H new ATOM 0 HG3 PRO A 89 2.091 4.453 16.364 1.00 21.85 H new ATOM 0 HD2 PRO A 89 3.798 4.478 14.301 1.00 15.80 H new ATOM 0 HD3 PRO A 89 2.325 3.971 14.229 1.00 15.80 H new ATOM 687 N GLU A 90 3.840 8.435 14.114 1.00 17.67 N ATOM 688 CA GLU A 90 4.464 9.726 13.992 1.00 12.57 C ATOM 689 C GLU A 90 5.661 9.662 13.052 1.00 16.08 C ATOM 690 O GLU A 90 6.559 8.803 13.173 1.00 14.19 O ATOM 691 CB GLU A 90 4.965 10.080 15.414 1.00 9.99 C ATOM 692 CG GLU A 90 5.629 11.480 15.482 1.00 15.52 C ATOM 693 CD GLU A 90 5.981 11.963 16.873 1.00 15.02 C ATOM 694 OE1 GLU A 90 6.343 10.986 17.663 1.00 13.37 O ATOM 695 OE2 GLU A 90 6.208 13.131 17.126 1.00 14.92 O ATOM 0 H GLU A 90 4.358 7.756 14.012 1.00 17.67 H new ATOM 0 HA GLU A 90 3.842 10.380 13.637 1.00 12.57 H new ATOM 0 HB2 GLU A 90 4.219 10.049 16.033 1.00 9.99 H new ATOM 0 HB3 GLU A 90 5.602 9.409 15.705 1.00 9.99 H new ATOM 0 HG2 GLU A 90 6.438 11.464 14.947 1.00 15.52 H new ATOM 0 HG3 GLU A 90 5.031 12.125 15.073 1.00 15.52 H new ATOM 696 N ILE A 91 5.658 10.602 12.112 1.00 16.07 N ATOM 697 CA ILE A 91 6.720 10.732 11.133 1.00 12.25 C ATOM 698 C ILE A 91 7.595 11.945 11.549 1.00 12.21 C ATOM 699 O ILE A 91 7.114 13.045 11.826 1.00 12.87 O ATOM 700 CB ILE A 91 6.082 11.049 9.757 1.00 13.52 C ATOM 701 CG1 ILE A 91 5.196 9.901 9.254 1.00 14.11 C ATOM 702 CG2 ILE A 91 7.173 11.496 8.788 1.00 13.17 C ATOM 703 CD1 ILE A 91 4.332 10.231 8.020 1.00 12.09 C ATOM 0 H ILE A 91 5.032 11.186 12.027 1.00 16.07 H new ATOM 0 HA ILE A 91 7.247 9.919 11.083 1.00 12.25 H new ATOM 0 HB ILE A 91 5.464 11.792 9.841 1.00 13.52 H new ATOM 0 HG12 ILE A 91 5.763 9.143 9.041 1.00 14.11 H new ATOM 0 HG13 ILE A 91 4.611 9.623 9.976 1.00 14.11 H new ATOM 0 HG21 ILE A 91 6.778 11.695 7.925 1.00 13.17 H new ATOM 0 HG22 ILE A 91 7.609 12.290 9.135 1.00 13.17 H new ATOM 0 HG23 ILE A 91 7.827 10.787 8.687 1.00 13.17 H new ATOM 0 HD11 ILE A 91 3.808 9.453 7.774 1.00 12.09 H new ATOM 0 HD12 ILE A 91 3.737 10.968 8.229 1.00 12.09 H new ATOM 0 HD13 ILE A 91 4.907 10.481 7.280 1.00 12.09 H new ATOM 704 N MET A 92 8.914 11.738 11.583 1.00 9.58 N ATOM 705 CA MET A 92 9.806 12.777 11.942 1.00 9.68 C ATOM 706 C MET A 92 10.508 13.380 10.754 1.00 12.10 C ATOM 707 O MET A 92 11.141 12.625 10.047 1.00 14.31 O ATOM 708 CB MET A 92 10.939 12.128 12.803 1.00 10.12 C ATOM 709 CG MET A 92 10.382 11.434 14.070 1.00 17.21 C ATOM 710 SD MET A 92 9.441 12.552 15.157 1.00 18.03 S ATOM 711 CE MET A 92 10.690 13.667 15.822 1.00 13.17 C ATOM 0 H MET A 92 9.292 10.988 11.396 1.00 9.58 H new ATOM 0 HA MET A 92 9.291 13.464 12.394 1.00 9.68 H new ATOM 0 HB2 MET A 92 11.421 11.480 12.266 1.00 10.12 H new ATOM 0 HB3 MET A 92 11.577 12.811 13.064 1.00 10.12 H new ATOM 0 HG2 MET A 92 9.810 10.698 13.802 1.00 17.21 H new ATOM 0 HG3 MET A 92 11.119 11.052 14.571 1.00 17.21 H new ATOM 0 HE1 MET A 92 10.334 14.569 15.856 1.00 13.17 H new ATOM 0 HE2 MET A 92 10.935 13.382 16.716 1.00 13.17 H new ATOM 0 HE3 MET A 92 11.475 13.651 15.252 1.00 13.17 H new ATOM 712 N VAL A 93 10.448 14.694 10.581 1.00 12.24 N ATOM 713 CA VAL A 93 11.178 15.403 9.506 1.00 7.94 C ATOM 714 C VAL A 93 12.421 15.959 10.150 1.00 7.73 C ATOM 715 O VAL A 93 12.430 16.786 11.072 1.00 9.56 O ATOM 716 CB VAL A 93 10.308 16.459 8.898 1.00 8.38 C ATOM 717 CG1 VAL A 93 10.997 16.995 7.670 1.00 12.19 C ATOM 718 CG2 VAL A 93 9.034 15.768 8.451 1.00 9.04 C ATOM 0 H VAL A 93 9.981 15.214 11.083 1.00 12.24 H new ATOM 0 HA VAL A 93 11.423 14.818 8.772 1.00 7.94 H new ATOM 0 HB VAL A 93 10.131 17.177 9.526 1.00 8.38 H new ATOM 0 HG11 VAL A 93 10.446 17.682 7.263 1.00 12.19 H new ATOM 0 HG12 VAL A 93 11.854 17.375 7.919 1.00 12.19 H new ATOM 0 HG13 VAL A 93 11.136 16.274 7.036 1.00 12.19 H new ATOM 0 HG21 VAL A 93 8.437 16.418 8.049 1.00 9.04 H new ATOM 0 HG22 VAL A 93 9.249 15.081 7.801 1.00 9.04 H new ATOM 0 HG23 VAL A 93 8.600 15.362 9.218 1.00 9.04 H new ATOM 719 N ILE A 94 13.574 15.508 9.672 1.00 6.55 N ATOM 720 CA ILE A 94 14.735 15.996 10.352 1.00 5.44 C ATOM 721 C ILE A 94 15.568 17.035 9.595 1.00 11.78 C ATOM 722 O ILE A 94 16.689 17.306 10.008 1.00 9.53 O ATOM 723 CB ILE A 94 15.627 14.821 10.773 1.00 8.42 C ATOM 724 CG1 ILE A 94 16.238 14.234 9.508 1.00 9.00 C ATOM 725 CG2 ILE A 94 14.821 13.720 11.529 1.00 4.83 C ATOM 726 CD1 ILE A 94 17.296 13.142 9.794 1.00 9.49 C ATOM 0 H ILE A 94 13.693 14.967 9.014 1.00 6.55 H new ATOM 0 HA ILE A 94 14.387 16.471 11.123 1.00 5.44 H new ATOM 0 HB ILE A 94 16.311 15.140 11.382 1.00 8.42 H new ATOM 0 HG12 ILE A 94 15.532 13.857 8.960 1.00 9.00 H new ATOM 0 HG13 ILE A 94 16.648 14.946 8.993 1.00 9.00 H new ATOM 0 HG21 ILE A 94 15.417 12.996 11.778 1.00 4.83 H new ATOM 0 HG22 ILE A 94 14.424 14.101 12.328 1.00 4.83 H new ATOM 0 HG23 ILE A 94 14.121 13.378 10.952 1.00 4.83 H new ATOM 0 HD11 ILE A 94 17.649 12.806 8.955 1.00 9.49 H new ATOM 0 HD12 ILE A 94 18.018 13.520 10.320 1.00 9.49 H new ATOM 0 HD13 ILE A 94 16.885 12.414 10.286 1.00 9.49 H new ATOM 727 N GLY A 95 15.077 17.628 8.531 1.00 8.51 N ATOM 728 CA GLY A 95 15.901 18.631 7.918 1.00 7.06 C ATOM 729 C GLY A 95 16.062 18.350 6.453 1.00 12.19 C ATOM 730 O GLY A 95 15.676 17.315 6.021 1.00 13.11 O ATOM 0 H GLY A 95 14.313 17.476 8.166 1.00 8.51 H new ATOM 0 HA2 GLY A 95 15.503 19.507 8.044 1.00 7.06 H new ATOM 0 HA3 GLY A 95 16.771 18.651 8.347 1.00 7.06 H new ATOM 731 N GLY A 96 16.606 19.274 5.675 1.00 12.11 N ATOM 732 CA GLY A 96 17.103 20.548 6.116 1.00 12.12 C ATOM 733 C GLY A 96 16.088 21.686 5.919 1.00 9.08 C ATOM 734 O GLY A 96 14.874 21.463 5.928 1.00 15.28 O ATOM 0 H GLY A 96 16.697 19.160 4.827 1.00 12.11 H new ATOM 0 HA2 GLY A 96 17.339 20.490 7.055 1.00 12.12 H new ATOM 0 HA3 GLY A 96 17.916 20.758 5.631 1.00 12.12 H new ATOM 735 N GLY A 97 16.631 22.900 5.709 1.00 5.96 N ATOM 736 CA GLY A 97 15.817 24.128 5.559 1.00 3.97 C ATOM 737 C GLY A 97 14.781 24.010 4.496 1.00 7.96 C ATOM 738 O GLY A 97 13.644 24.394 4.701 1.00 12.66 O ATOM 0 H GLY A 97 17.478 23.035 5.650 1.00 5.96 H new ATOM 0 HA2 GLY A 97 15.385 24.330 6.404 1.00 3.97 H new ATOM 0 HA3 GLY A 97 16.401 24.875 5.354 1.00 3.97 H new ATOM 739 N ARG A 98 15.153 23.460 3.325 1.00 10.85 N ATOM 740 CA ARG A 98 14.119 23.358 2.272 1.00 7.93 C ATOM 741 C ARG A 98 13.029 22.404 2.612 1.00 10.12 C ATOM 742 O ARG A 98 11.860 22.553 2.254 1.00 7.45 O ATOM 743 CB ARG A 98 14.677 22.745 0.996 1.00 21.36 C ATOM 744 CG ARG A 98 14.778 23.712 -0.149 1.00 39.00 C ATOM 745 CD ARG A 98 15.248 22.932 -1.360 1.00 52.17 C ATOM 746 NE ARG A 98 14.124 22.626 -2.245 1.00 60.95 N ATOM 747 CZ ARG A 98 14.087 21.838 -3.348 1.00 57.07 C ATOM 748 NH1 ARG A 98 15.127 21.146 -3.850 1.00 53.03 N ATOM 749 NH2 ARG A 98 12.905 21.760 -3.967 1.00 54.11 N ATOM 0 H ARG A 98 15.935 23.161 3.128 1.00 10.85 H new ATOM 0 HA ARG A 98 13.807 24.271 2.177 1.00 7.93 H new ATOM 0 HB2 ARG A 98 15.557 22.382 1.180 1.00 21.36 H new ATOM 0 HB3 ARG A 98 14.113 22.001 0.731 1.00 21.36 H new ATOM 0 HG2 ARG A 98 13.919 24.127 -0.322 1.00 39.00 H new ATOM 0 HG3 ARG A 98 15.401 24.426 0.060 1.00 39.00 H new ATOM 0 HD2 ARG A 98 15.915 23.445 -1.842 1.00 52.17 H new ATOM 0 HD3 ARG A 98 15.675 22.109 -1.075 1.00 52.17 H new ATOM 0 HE ARG A 98 13.379 23.000 -2.035 1.00 60.95 H new ATOM 0 HH11 ARG A 98 15.895 21.183 -3.464 1.00 53.03 H new ATOM 0 HH12 ARG A 98 15.024 20.666 -4.556 1.00 53.03 H new ATOM 0 HH21 ARG A 98 12.229 22.195 -3.660 1.00 54.11 H new ATOM 0 HH22 ARG A 98 12.820 21.275 -4.672 1.00 54.11 H new ATOM 750 N VAL A 99 13.434 21.344 3.275 1.00 7.16 N ATOM 751 CA VAL A 99 12.496 20.317 3.683 1.00 11.20 C ATOM 752 C VAL A 99 11.525 20.828 4.779 1.00 9.68 C ATOM 753 O VAL A 99 10.318 20.690 4.736 1.00 10.87 O ATOM 754 CB VAL A 99 13.305 19.006 4.003 1.00 11.68 C ATOM 755 CG1 VAL A 99 12.373 17.965 4.531 1.00 12.04 C ATOM 756 CG2 VAL A 99 13.821 18.384 2.680 1.00 6.90 C ATOM 0 H VAL A 99 14.250 21.196 3.501 1.00 7.16 H new ATOM 0 HA VAL A 99 11.886 20.083 2.966 1.00 11.20 H new ATOM 0 HB VAL A 99 14.014 19.239 4.622 1.00 11.68 H new ATOM 0 HG11 VAL A 99 12.870 17.156 4.729 1.00 12.04 H new ATOM 0 HG12 VAL A 99 11.950 18.290 5.341 1.00 12.04 H new ATOM 0 HG13 VAL A 99 11.693 17.772 3.867 1.00 12.04 H new ATOM 0 HG21 VAL A 99 14.320 17.576 2.875 1.00 6.90 H new ATOM 0 HG22 VAL A 99 13.068 18.168 2.108 1.00 6.90 H new ATOM 0 HG23 VAL A 99 14.398 19.019 2.227 1.00 6.90 H new ATOM 757 N TYR A 100 12.087 21.478 5.770 1.00 6.33 N ATOM 758 CA TYR A 100 11.216 21.957 6.847 1.00 5.03 C ATOM 759 C TYR A 100 10.188 22.912 6.331 1.00 10.53 C ATOM 760 O TYR A 100 9.038 22.947 6.671 1.00 11.12 O ATOM 761 CB TYR A 100 12.142 22.805 7.816 1.00 6.26 C ATOM 762 CG TYR A 100 13.079 22.014 8.728 1.00 9.32 C ATOM 763 CD1 TYR A 100 12.623 20.843 9.395 1.00 9.92 C ATOM 764 CD2 TYR A 100 14.378 22.445 8.995 1.00 8.14 C ATOM 765 CE1 TYR A 100 13.499 20.194 10.260 1.00 9.87 C ATOM 766 CE2 TYR A 100 15.262 21.790 9.870 1.00 6.03 C ATOM 767 CZ TYR A 100 14.797 20.667 10.494 1.00 7.42 C ATOM 768 OH TYR A 100 15.637 19.969 11.351 1.00 9.15 O ATOM 0 H TYR A 100 12.925 21.652 5.850 1.00 6.33 H new ATOM 0 HA TYR A 100 10.778 21.200 7.266 1.00 5.03 H new ATOM 0 HB2 TYR A 100 12.679 23.404 7.275 1.00 6.26 H new ATOM 0 HB3 TYR A 100 11.573 23.359 8.373 1.00 6.26 H new ATOM 0 HD1 TYR A 100 11.762 20.520 9.257 1.00 9.92 H new ATOM 0 HD2 TYR A 100 14.678 23.214 8.567 1.00 8.14 H new ATOM 0 HE1 TYR A 100 13.214 19.423 10.696 1.00 9.87 H new ATOM 0 HE2 TYR A 100 16.124 22.107 10.017 1.00 6.03 H new ATOM 0 HH TYR A 100 15.181 19.603 11.954 1.00 9.15 H new ATOM 769 N GLU A 101 10.629 23.748 5.444 1.00 10.97 N ATOM 770 CA GLU A 101 9.742 24.710 4.875 1.00 12.83 C ATOM 771 C GLU A 101 8.527 24.071 4.206 1.00 12.54 C ATOM 772 O GLU A 101 7.389 24.505 4.267 1.00 15.11 O ATOM 773 CB GLU A 101 10.644 25.599 3.962 1.00 19.35 C ATOM 774 CG GLU A 101 9.852 26.317 2.894 1.00 38.85 C ATOM 775 CD GLU A 101 10.713 27.362 2.292 1.00 54.63 C ATOM 776 OE1 GLU A 101 11.953 27.245 2.752 1.00 54.34 O ATOM 777 OE2 GLU A 101 10.256 28.298 1.641 1.00 63.95 O ATOM 0 H GLU A 101 11.438 23.778 5.155 1.00 10.97 H new ATOM 0 HA GLU A 101 9.311 25.268 5.541 1.00 12.83 H new ATOM 0 HB2 GLU A 101 11.110 26.251 4.508 1.00 19.35 H new ATOM 0 HB3 GLU A 101 11.320 25.045 3.542 1.00 19.35 H new ATOM 0 HG2 GLU A 101 9.557 25.691 2.215 1.00 38.85 H new ATOM 0 HG3 GLU A 101 9.055 26.716 3.277 1.00 38.85 H new ATOM 778 N GLN A 102 8.728 22.954 3.569 1.00 15.28 N ATOM 779 CA GLN A 102 7.598 22.321 2.934 1.00 14.14 C ATOM 780 C GLN A 102 6.714 21.516 3.867 1.00 16.21 C ATOM 781 O GLN A 102 5.520 21.343 3.648 1.00 16.57 O ATOM 782 CB GLN A 102 8.125 21.349 1.822 1.00 15.02 C ATOM 783 CG GLN A 102 8.764 22.041 0.574 1.00 16.26 C ATOM 784 CD GLN A 102 9.604 21.107 -0.280 1.00 20.25 C ATOM 785 OE1 GLN A 102 9.073 20.585 -1.244 1.00 18.72 O ATOM 786 NE2 GLN A 102 10.880 20.846 0.062 1.00 16.55 N ATOM 0 H GLN A 102 9.483 22.550 3.489 1.00 15.28 H new ATOM 0 HA GLN A 102 7.054 23.043 2.583 1.00 14.14 H new ATOM 0 HB2 GLN A 102 8.784 20.757 2.217 1.00 15.02 H new ATOM 0 HB3 GLN A 102 7.388 20.794 1.523 1.00 15.02 H new ATOM 0 HG2 GLN A 102 8.058 22.419 0.027 1.00 16.26 H new ATOM 0 HG3 GLN A 102 9.318 22.779 0.872 1.00 16.26 H new ATOM 0 HE21 GLN A 102 11.228 21.230 0.748 1.00 16.55 H new ATOM 0 HE22 GLN A 102 11.347 20.296 -0.406 1.00 16.55 H new ATOM 787 N PHE A 103 7.301 20.982 4.913 1.00 16.17 N ATOM 788 CA PHE A 103 6.529 20.161 5.839 1.00 14.66 C ATOM 789 C PHE A 103 5.887 20.941 6.969 1.00 11.83 C ATOM 790 O PHE A 103 4.952 20.441 7.584 1.00 14.69 O ATOM 791 CB PHE A 103 7.454 19.082 6.460 1.00 9.19 C ATOM 792 CG PHE A 103 7.531 17.930 5.504 1.00 13.22 C ATOM 793 CD1 PHE A 103 6.562 16.934 5.474 1.00 18.24 C ATOM 794 CD2 PHE A 103 8.582 17.880 4.590 1.00 18.09 C ATOM 795 CE1 PHE A 103 6.687 15.896 4.555 1.00 21.96 C ATOM 796 CE2 PHE A 103 8.740 16.860 3.649 1.00 19.06 C ATOM 797 CZ PHE A 103 7.756 15.867 3.652 1.00 22.57 C ATOM 0 H PHE A 103 8.133 21.075 5.111 1.00 16.17 H new ATOM 0 HA PHE A 103 5.811 19.771 5.316 1.00 14.66 H new ATOM 0 HB2 PHE A 103 8.338 19.447 6.623 1.00 9.19 H new ATOM 0 HB3 PHE A 103 7.105 18.789 7.316 1.00 9.19 H new ATOM 0 HD1 PHE A 103 5.840 16.961 6.060 1.00 18.24 H new ATOM 0 HD2 PHE A 103 9.213 18.563 4.608 1.00 18.09 H new ATOM 0 HE1 PHE A 103 6.054 15.215 4.541 1.00 21.96 H new ATOM 0 HE2 PHE A 103 9.456 16.842 3.056 1.00 19.06 H new ATOM 0 HZ PHE A 103 7.813 15.170 3.039 1.00 22.57 H new ATOM 798 N LEU A 104 6.401 22.122 7.270 1.00 10.30 N ATOM 799 CA LEU A 104 5.880 22.920 8.382 1.00 15.35 C ATOM 800 C LEU A 104 4.375 23.033 8.337 1.00 21.02 C ATOM 801 O LEU A 104 3.661 22.703 9.253 1.00 17.36 O ATOM 802 CB LEU A 104 6.543 24.311 8.441 1.00 17.35 C ATOM 803 CG LEU A 104 6.042 25.189 9.582 1.00 22.19 C ATOM 804 CD1 LEU A 104 6.396 24.502 10.887 1.00 21.09 C ATOM 805 CD2 LEU A 104 6.798 26.510 9.587 1.00 25.80 C ATOM 0 H LEU A 104 7.054 22.486 6.845 1.00 10.30 H new ATOM 0 HA LEU A 104 6.110 22.450 9.199 1.00 15.35 H new ATOM 0 HB2 LEU A 104 7.502 24.198 8.529 1.00 17.35 H new ATOM 0 HB3 LEU A 104 6.387 24.769 7.600 1.00 17.35 H new ATOM 0 HG LEU A 104 5.089 25.334 9.478 1.00 22.19 H new ATOM 0 HD11 LEU A 104 6.087 25.042 11.631 1.00 21.09 H new ATOM 0 HD12 LEU A 104 5.969 23.631 10.921 1.00 21.09 H new ATOM 0 HD13 LEU A 104 7.358 24.393 10.945 1.00 21.09 H new ATOM 0 HD21 LEU A 104 6.476 27.065 10.314 1.00 25.80 H new ATOM 0 HD22 LEU A 104 7.746 26.340 9.706 1.00 25.80 H new ATOM 0 HD23 LEU A 104 6.655 26.968 8.744 1.00 25.80 H new ATOM 806 N PRO A 105 3.890 23.461 7.195 1.00 21.51 N ATOM 807 CA PRO A 105 2.464 23.573 7.074 1.00 20.86 C ATOM 808 C PRO A 105 1.690 22.300 7.353 1.00 20.94 C ATOM 809 O PRO A 105 0.481 22.332 7.577 1.00 22.36 O ATOM 810 CB PRO A 105 2.188 24.120 5.690 1.00 16.85 C ATOM 811 CG PRO A 105 3.538 24.224 4.988 1.00 17.34 C ATOM 812 CD PRO A 105 4.629 23.941 5.985 1.00 14.68 C ATOM 0 HA PRO A 105 2.142 24.170 7.767 1.00 20.86 H new ATOM 0 HB2 PRO A 105 1.589 23.535 5.201 1.00 16.85 H new ATOM 0 HB3 PRO A 105 1.758 24.988 5.741 1.00 16.85 H new ATOM 0 HG2 PRO A 105 3.583 23.593 4.253 1.00 17.34 H new ATOM 0 HG3 PRO A 105 3.652 25.110 4.609 1.00 17.34 H new ATOM 0 HD2 PRO A 105 5.247 23.270 5.656 1.00 14.68 H new ATOM 0 HD3 PRO A 105 5.150 24.736 6.178 1.00 14.68 H new ATOM 813 N LYS A 106 2.346 21.150 7.338 1.00 15.00 N ATOM 814 CA LYS A 106 1.539 19.956 7.611 1.00 17.04 C ATOM 815 C LYS A 106 1.877 19.367 8.951 1.00 19.70 C ATOM 816 O LYS A 106 1.327 18.361 9.296 1.00 18.80 O ATOM 817 CB LYS A 106 1.896 18.818 6.654 1.00 20.58 C ATOM 818 CG LYS A 106 1.825 19.282 5.209 1.00 25.72 C ATOM 819 CD LYS A 106 2.335 18.245 4.225 1.00 30.16 C ATOM 820 CE LYS A 106 1.259 17.300 3.731 1.00 35.84 C ATOM 821 NZ LYS A 106 0.644 17.709 2.450 1.00 39.46 N ATOM 0 H LYS A 106 3.185 21.033 7.187 1.00 15.00 H new ATOM 0 HA LYS A 106 0.618 20.250 7.538 1.00 17.04 H new ATOM 0 HB2 LYS A 106 2.789 18.494 6.850 1.00 20.58 H new ATOM 0 HB3 LYS A 106 1.288 18.074 6.789 1.00 20.58 H new ATOM 0 HG2 LYS A 106 0.906 19.503 4.991 1.00 25.72 H new ATOM 0 HG3 LYS A 106 2.343 20.096 5.110 1.00 25.72 H new ATOM 0 HD2 LYS A 106 2.731 18.699 3.465 1.00 30.16 H new ATOM 0 HD3 LYS A 106 3.040 17.729 4.646 1.00 30.16 H new ATOM 0 HE2 LYS A 106 1.641 16.414 3.628 1.00 35.84 H new ATOM 0 HE3 LYS A 106 0.565 17.233 4.406 1.00 35.84 H new ATOM 0 HZ1 LYS A 106 0.023 17.116 2.216 1.00 39.46 H new ATOM 0 HZ2 LYS A 106 0.268 18.510 2.543 1.00 39.46 H new ATOM 0 HZ3 LYS A 106 1.270 17.748 1.819 1.00 39.46 H new ATOM 822 N ALA A 107 2.801 19.955 9.671 1.00 13.33 N ATOM 823 CA ALA A 107 3.195 19.373 10.906 1.00 13.81 C ATOM 824 C ALA A 107 2.264 19.655 12.054 1.00 16.35 C ATOM 825 O ALA A 107 1.607 20.687 12.115 1.00 13.80 O ATOM 826 CB ALA A 107 4.529 20.020 11.162 1.00 13.80 C ATOM 0 H ALA A 107 3.205 20.684 9.459 1.00 13.33 H new ATOM 0 HA ALA A 107 3.204 18.405 10.846 1.00 13.81 H new ATOM 0 HB1 ALA A 107 4.895 19.688 11.997 1.00 13.80 H new ATOM 0 HB2 ALA A 107 5.136 19.808 10.436 1.00 13.80 H new ATOM 0 HB3 ALA A 107 4.417 20.982 11.219 1.00 13.80 H new ATOM 827 N GLN A 108 2.218 18.746 13.004 1.00 14.38 N ATOM 828 CA GLN A 108 1.363 18.952 14.152 1.00 14.58 C ATOM 829 C GLN A 108 2.171 19.198 15.386 1.00 14.09 C ATOM 830 O GLN A 108 1.681 19.710 16.364 1.00 13.90 O ATOM 831 CB GLN A 108 0.423 17.806 14.453 1.00 20.07 C ATOM 832 CG GLN A 108 -0.621 17.465 13.345 1.00 31.46 C ATOM 833 CD GLN A 108 -1.467 18.655 13.012 1.00 47.17 C ATOM 834 OE1 GLN A 108 -1.264 19.728 13.776 1.00 59.25 O flip ATOM 835 NE2 GLN A 108 -2.204 18.657 12.001 1.00 51.73 N flip ATOM 0 H GLN A 108 2.666 18.012 13.006 1.00 14.38 H new ATOM 0 HA GLN A 108 0.828 19.724 13.910 1.00 14.58 H new ATOM 0 HB2 GLN A 108 0.954 17.013 14.626 1.00 20.07 H new ATOM 0 HB3 GLN A 108 -0.056 18.011 15.271 1.00 20.07 H new ATOM 0 HG2 GLN A 108 -0.161 17.159 12.548 1.00 31.46 H new ATOM 0 HG3 GLN A 108 -1.187 16.736 13.644 1.00 31.46 H new ATOM 0 HE21 GLN A 108 -2.303 17.938 11.540 1.00 51.73 H new ATOM 0 HE22 GLN A 108 -2.611 19.377 11.767 1.00 51.73 H new ATOM 836 N LYS A 109 3.425 18.828 15.347 1.00 10.07 N ATOM 837 CA LYS A 109 4.263 19.031 16.526 1.00 12.01 C ATOM 838 C LYS A 109 5.671 19.451 16.145 1.00 14.09 C ATOM 839 O LYS A 109 6.171 19.083 15.086 1.00 14.19 O ATOM 840 CB LYS A 109 4.240 17.691 17.156 1.00 13.68 C ATOM 841 CG LYS A 109 4.994 17.532 18.464 1.00 27.77 C ATOM 842 CD LYS A 109 4.363 16.393 19.274 1.00 29.78 C ATOM 843 CE LYS A 109 5.139 16.022 20.537 1.00 34.40 C ATOM 844 NZ LYS A 109 4.805 14.713 21.154 1.00 34.87 N ATOM 0 H LYS A 109 3.815 18.465 14.672 1.00 10.07 H new ATOM 0 HA LYS A 109 3.951 19.739 17.110 1.00 12.01 H new ATOM 0 HB2 LYS A 109 3.314 17.446 17.310 1.00 13.68 H new ATOM 0 HB3 LYS A 109 4.600 17.053 16.521 1.00 13.68 H new ATOM 0 HG2 LYS A 109 5.929 17.340 18.290 1.00 27.77 H new ATOM 0 HG3 LYS A 109 4.963 18.359 18.970 1.00 27.77 H new ATOM 0 HD2 LYS A 109 3.461 16.648 19.523 1.00 29.78 H new ATOM 0 HD3 LYS A 109 4.290 15.608 18.708 1.00 29.78 H new ATOM 0 HE2 LYS A 109 6.086 16.026 20.325 1.00 34.40 H new ATOM 0 HE3 LYS A 109 4.994 16.716 21.199 1.00 34.40 H new ATOM 0 HZ1 LYS A 109 5.317 14.583 21.870 1.00 34.87 H new ATOM 0 HZ2 LYS A 109 3.949 14.709 21.397 1.00 34.87 H new ATOM 0 HZ3 LYS A 109 4.949 14.062 20.565 1.00 34.87 H new ATOM 845 N LEU A 110 6.344 20.219 16.969 1.00 12.21 N ATOM 846 CA LEU A 110 7.725 20.642 16.715 1.00 13.79 C ATOM 847 C LEU A 110 8.541 20.322 17.952 1.00 14.59 C ATOM 848 O LEU A 110 8.101 20.557 19.070 1.00 13.94 O ATOM 849 CB LEU A 110 7.881 22.156 16.535 1.00 12.93 C ATOM 850 CG LEU A 110 6.986 22.741 15.472 1.00 13.53 C ATOM 851 CD1 LEU A 110 7.117 24.267 15.541 1.00 9.77 C ATOM 852 CD2 LEU A 110 7.519 22.243 14.130 1.00 22.14 C ATOM 0 H LEU A 110 6.018 20.521 17.706 1.00 12.21 H new ATOM 0 HA LEU A 110 8.005 20.188 15.905 1.00 13.79 H new ATOM 0 HB2 LEU A 110 7.694 22.594 17.380 1.00 12.93 H new ATOM 0 HB3 LEU A 110 8.804 22.353 16.312 1.00 12.93 H new ATOM 0 HG LEU A 110 6.057 22.487 15.588 1.00 13.53 H new ATOM 0 HD11 LEU A 110 6.550 24.672 14.866 1.00 9.77 H new ATOM 0 HD12 LEU A 110 6.844 24.576 16.419 1.00 9.77 H new ATOM 0 HD13 LEU A 110 8.040 24.520 15.382 1.00 9.77 H new ATOM 0 HD21 LEU A 110 6.970 22.597 13.412 1.00 22.14 H new ATOM 0 HD22 LEU A 110 8.434 22.542 14.014 1.00 22.14 H new ATOM 0 HD23 LEU A 110 7.491 21.274 14.110 1.00 22.14 H new ATOM 853 N TYR A 111 9.723 19.804 17.738 1.00 12.03 N ATOM 854 CA TYR A 111 10.650 19.473 18.780 1.00 8.83 C ATOM 855 C TYR A 111 11.853 20.339 18.459 1.00 10.94 C ATOM 856 O TYR A 111 12.593 20.101 17.514 1.00 9.70 O ATOM 857 CB TYR A 111 11.108 18.011 18.826 1.00 7.81 C ATOM 858 CG TYR A 111 10.092 16.898 18.997 1.00 11.00 C ATOM 859 CD1 TYR A 111 9.267 16.535 17.926 1.00 15.64 C ATOM 860 CD2 TYR A 111 10.008 16.139 20.174 1.00 11.82 C ATOM 861 CE1 TYR A 111 8.346 15.482 18.034 1.00 17.85 C ATOM 862 CE2 TYR A 111 9.094 15.079 20.300 1.00 10.82 C ATOM 863 CZ TYR A 111 8.270 14.736 19.216 1.00 15.11 C ATOM 864 OH TYR A 111 7.359 13.690 19.267 1.00 16.96 O ATOM 0 H TYR A 111 10.019 19.629 16.950 1.00 12.03 H new ATOM 0 HA TYR A 111 10.228 19.617 19.641 1.00 8.83 H new ATOM 0 HB2 TYR A 111 11.591 17.835 18.004 1.00 7.81 H new ATOM 0 HB3 TYR A 111 11.746 17.932 19.553 1.00 7.81 H new ATOM 0 HD1 TYR A 111 9.331 17.002 17.125 1.00 15.64 H new ATOM 0 HD2 TYR A 111 10.570 16.342 20.887 1.00 11.82 H new ATOM 0 HE1 TYR A 111 7.786 15.280 17.320 1.00 17.85 H new ATOM 0 HE2 TYR A 111 9.035 14.606 21.099 1.00 10.82 H new ATOM 0 HH TYR A 111 6.878 13.703 18.578 1.00 16.96 H new ATOM 865 N LEU A 112 12.028 21.357 19.267 1.00 9.40 N ATOM 866 CA LEU A 112 13.096 22.286 19.035 1.00 8.71 C ATOM 867 C LEU A 112 14.100 22.367 20.124 1.00 12.84 C ATOM 868 O LEU A 112 13.749 22.290 21.297 1.00 16.50 O ATOM 869 CB LEU A 112 12.592 23.747 18.870 1.00 8.65 C ATOM 870 CG LEU A 112 11.416 23.939 17.923 1.00 10.45 C ATOM 871 CD1 LEU A 112 10.970 25.375 17.857 1.00 10.27 C ATOM 872 CD2 LEU A 112 11.798 23.517 16.491 1.00 10.42 C ATOM 0 H LEU A 112 11.539 21.527 19.954 1.00 9.40 H new ATOM 0 HA LEU A 112 13.497 21.931 18.227 1.00 8.71 H new ATOM 0 HB2 LEU A 112 12.340 24.085 19.744 1.00 8.65 H new ATOM 0 HB3 LEU A 112 13.330 24.292 18.557 1.00 8.65 H new ATOM 0 HG LEU A 112 10.697 23.389 18.271 1.00 10.45 H new ATOM 0 HD11 LEU A 112 10.222 25.454 17.245 1.00 10.27 H new ATOM 0 HD12 LEU A 112 10.698 25.670 18.740 1.00 10.27 H new ATOM 0 HD13 LEU A 112 11.703 25.928 17.544 1.00 10.27 H new ATOM 0 HD21 LEU A 112 11.038 23.646 15.902 1.00 10.42 H new ATOM 0 HD22 LEU A 112 12.542 24.058 16.182 1.00 10.42 H new ATOM 0 HD23 LEU A 112 12.055 22.582 16.487 1.00 10.42 H new ATOM 873 N THR A 113 15.323 22.557 19.726 1.00 8.55 N ATOM 874 CA THR A 113 16.407 22.819 20.644 1.00 6.87 C ATOM 875 C THR A 113 16.855 24.240 20.410 1.00 10.78 C ATOM 876 O THR A 113 17.355 24.484 19.328 1.00 14.59 O ATOM 877 CB THR A 113 17.630 21.961 20.460 1.00 12.04 C ATOM 878 OG1 THR A 113 17.140 20.652 20.609 1.00 7.91 O ATOM 879 CG2 THR A 113 18.680 22.406 21.500 1.00 6.44 C ATOM 0 H THR A 113 15.561 22.539 18.900 1.00 8.55 H new ATOM 0 HA THR A 113 16.058 22.634 21.530 1.00 6.87 H new ATOM 0 HB THR A 113 18.085 22.030 19.606 1.00 12.04 H new ATOM 0 HG1 THR A 113 17.784 20.113 20.637 1.00 7.91 H new ATOM 0 HG21 THR A 113 19.481 21.867 21.403 1.00 6.44 H new ATOM 0 HG22 THR A 113 18.900 23.340 21.359 1.00 6.44 H new ATOM 0 HG23 THR A 113 18.320 22.291 22.393 1.00 6.44 H new ATOM 880 N HIS A 114 16.698 25.194 21.321 1.00 9.31 N ATOM 881 CA HIS A 114 17.144 26.581 21.089 1.00 11.37 C ATOM 882 C HIS A 114 18.533 26.681 21.619 1.00 12.21 C ATOM 883 O HIS A 114 18.773 26.347 22.779 1.00 18.20 O ATOM 884 CB HIS A 114 16.211 27.476 21.907 1.00 13.86 C ATOM 885 CG HIS A 114 14.780 27.412 21.414 1.00 14.80 C ATOM 886 ND1 HIS A 114 14.383 27.984 20.208 1.00 13.06 N ATOM 887 CD2 HIS A 114 13.662 26.871 22.001 1.00 15.30 C ATOM 888 CE1 HIS A 114 13.057 27.790 20.090 1.00 14.97 C ATOM 889 NE2 HIS A 114 12.604 27.082 21.152 1.00 13.63 N ATOM 0 H HIS A 114 16.333 25.065 22.089 1.00 9.31 H new ATOM 0 HA HIS A 114 17.126 26.838 20.154 1.00 11.37 H new ATOM 0 HB2 HIS A 114 16.243 27.208 22.839 1.00 13.86 H new ATOM 0 HB3 HIS A 114 16.525 28.393 21.865 1.00 13.86 H new ATOM 0 HD2 HIS A 114 13.628 26.440 22.824 1.00 15.30 H new ATOM 0 HE1 HIS A 114 12.531 28.096 19.386 1.00 14.97 H new ATOM 0 HE2 HIS A 114 11.796 26.812 21.273 1.00 13.63 H new ATOM 890 N ILE A 115 19.495 27.107 20.832 1.00 9.75 N ATOM 891 CA ILE A 115 20.866 27.150 21.348 1.00 7.83 C ATOM 892 C ILE A 115 21.271 28.563 21.550 1.00 12.31 C ATOM 893 O ILE A 115 21.066 29.339 20.655 1.00 13.99 O ATOM 894 CB ILE A 115 21.776 26.532 20.291 1.00 11.92 C ATOM 895 CG1 ILE A 115 21.280 25.128 19.955 1.00 13.31 C ATOM 896 CG2 ILE A 115 23.258 26.536 20.658 1.00 11.43 C ATOM 897 CD1 ILE A 115 22.061 24.507 18.801 1.00 19.30 C ATOM 0 H ILE A 115 19.394 27.370 20.020 1.00 9.75 H new ATOM 0 HA ILE A 115 20.927 26.671 22.189 1.00 7.83 H new ATOM 0 HB ILE A 115 21.722 27.097 19.504 1.00 11.92 H new ATOM 0 HG12 ILE A 115 21.358 24.562 20.739 1.00 13.31 H new ATOM 0 HG13 ILE A 115 20.339 25.165 19.724 1.00 13.31 H new ATOM 0 HG21 ILE A 115 23.770 26.129 19.942 1.00 11.43 H new ATOM 0 HG22 ILE A 115 23.556 27.449 20.790 1.00 11.43 H new ATOM 0 HG23 ILE A 115 23.390 26.032 21.476 1.00 11.43 H new ATOM 0 HD11 ILE A 115 21.717 23.619 18.618 1.00 19.30 H new ATOM 0 HD12 ILE A 115 21.964 25.060 18.010 1.00 19.30 H new ATOM 0 HD13 ILE A 115 22.999 24.447 19.040 1.00 19.30 H new ATOM 898 N ASP A 116 21.860 28.901 22.679 1.00 10.84 N ATOM 899 CA ASP A 116 22.241 30.276 22.840 1.00 13.41 C ATOM 900 C ASP A 116 23.572 30.580 22.191 1.00 14.41 C ATOM 901 O ASP A 116 24.538 30.841 22.892 1.00 13.92 O ATOM 902 CB ASP A 116 22.329 30.628 24.346 1.00 19.07 C ATOM 903 CG ASP A 116 21.026 30.468 25.079 1.00 19.77 C ATOM 904 OD1 ASP A 116 20.068 31.040 24.392 1.00 17.24 O ATOM 905 OD2 ASP A 116 20.860 29.760 26.066 1.00 19.33 O ATOM 0 H ASP A 116 22.040 28.374 23.335 1.00 10.84 H new ATOM 0 HA ASP A 116 21.560 30.812 22.404 1.00 13.41 H new ATOM 0 HB2 ASP A 116 22.998 30.063 24.764 1.00 19.07 H new ATOM 0 HB3 ASP A 116 22.633 31.544 24.439 1.00 19.07 H new ATOM 906 N ALA A 117 23.607 30.589 20.880 1.00 14.95 N ATOM 907 CA ALA A 117 24.804 30.867 20.087 1.00 17.44 C ATOM 908 C ALA A 117 24.443 31.838 18.936 1.00 17.81 C ATOM 909 O ALA A 117 23.319 31.804 18.411 1.00 16.54 O ATOM 910 CB ALA A 117 25.267 29.536 19.524 1.00 13.42 C ATOM 0 H ALA A 117 22.913 30.428 20.398 1.00 14.95 H new ATOM 0 HA ALA A 117 25.501 31.278 20.621 1.00 17.44 H new ATOM 0 HB1 ALA A 117 26.064 29.671 18.987 1.00 13.42 H new ATOM 0 HB2 ALA A 117 25.468 28.928 20.253 1.00 13.42 H new ATOM 0 HB3 ALA A 117 24.566 29.157 18.971 1.00 13.42 H new ATOM 911 N GLU A 118 25.363 32.719 18.587 1.00 17.37 N ATOM 912 CA GLU A 118 25.153 33.668 17.473 1.00 22.94 C ATOM 913 C GLU A 118 26.105 33.167 16.422 1.00 21.41 C ATOM 914 O GLU A 118 27.293 33.196 16.649 1.00 20.69 O ATOM 915 CB GLU A 118 25.626 35.109 17.764 1.00 35.95 C ATOM 916 CG GLU A 118 24.910 36.150 16.844 1.00 46.61 C ATOM 917 CD GLU A 118 25.391 37.595 16.959 1.00 56.83 C ATOM 918 OE1 GLU A 118 26.086 37.840 18.057 1.00 58.82 O ATOM 919 OE2 GLU A 118 25.261 38.427 16.049 1.00 62.72 O ATOM 0 H GLU A 118 26.126 32.795 18.977 1.00 17.37 H new ATOM 0 HA GLU A 118 24.207 33.705 17.260 1.00 22.94 H new ATOM 0 HB2 GLU A 118 25.453 35.325 18.694 1.00 35.95 H new ATOM 0 HB3 GLU A 118 26.585 35.167 17.633 1.00 35.95 H new ATOM 0 HG2 GLU A 118 25.016 35.866 15.923 1.00 46.61 H new ATOM 0 HG3 GLU A 118 23.960 36.128 17.041 1.00 46.61 H new ATOM 920 N VAL A 119 25.612 32.700 15.315 1.00 22.23 N ATOM 921 CA VAL A 119 26.445 32.172 14.237 1.00 24.79 C ATOM 922 C VAL A 119 25.914 32.702 12.902 1.00 28.84 C ATOM 923 O VAL A 119 24.732 33.050 12.772 1.00 28.44 O ATOM 924 CB VAL A 119 26.456 30.631 14.184 1.00 26.20 C ATOM 925 CG1 VAL A 119 26.943 30.010 15.467 1.00 30.42 C ATOM 926 CG2 VAL A 119 25.075 30.027 13.964 1.00 28.23 C ATOM 0 H VAL A 119 24.769 32.672 15.148 1.00 22.23 H new ATOM 0 HA VAL A 119 27.355 32.464 14.405 1.00 24.79 H new ATOM 0 HB VAL A 119 27.048 30.440 13.440 1.00 26.20 H new ATOM 0 HG11 VAL A 119 26.931 29.044 15.384 1.00 30.42 H new ATOM 0 HG12 VAL A 119 27.848 30.308 15.648 1.00 30.42 H new ATOM 0 HG13 VAL A 119 26.363 30.278 16.197 1.00 30.42 H new ATOM 0 HG21 VAL A 119 25.145 29.060 13.940 1.00 28.23 H new ATOM 0 HG22 VAL A 119 24.487 30.290 14.689 1.00 28.23 H new ATOM 0 HG23 VAL A 119 24.712 30.346 13.123 1.00 28.23 H new ATOM 927 N GLU A 120 26.812 32.752 11.924 1.00 30.24 N ATOM 928 CA GLU A 120 26.536 33.188 10.563 1.00 32.48 C ATOM 929 C GLU A 120 26.085 31.918 9.862 1.00 25.67 C ATOM 930 O GLU A 120 26.804 30.938 9.864 1.00 28.02 O ATOM 931 CB GLU A 120 27.870 33.608 9.896 1.00 44.26 C ATOM 932 CG GLU A 120 28.514 34.907 10.426 1.00 53.02 C ATOM 933 CD GLU A 120 27.706 36.105 10.026 1.00 66.79 C ATOM 934 OE1 GLU A 120 26.474 36.114 9.995 1.00 71.05 O ATOM 935 OE2 GLU A 120 28.468 37.129 9.727 1.00 75.36 O ATOM 0 H GLU A 120 27.633 32.523 12.042 1.00 30.24 H new ATOM 0 HA GLU A 120 25.899 33.919 10.527 1.00 32.48 H new ATOM 0 HB2 GLU A 120 28.507 32.885 10.005 1.00 44.26 H new ATOM 0 HB3 GLU A 120 27.717 33.710 8.944 1.00 44.26 H new ATOM 0 HG2 GLU A 120 28.584 34.867 11.393 1.00 53.02 H new ATOM 0 HG3 GLU A 120 29.416 34.990 10.080 1.00 53.02 H new ATOM 936 N GLY A 121 24.894 31.886 9.285 1.00 17.90 N ATOM 937 CA GLY A 121 24.501 30.650 8.649 1.00 22.19 C ATOM 938 C GLY A 121 23.799 30.959 7.361 1.00 21.68 C ATOM 939 O GLY A 121 23.441 32.077 7.136 1.00 20.94 O ATOM 0 H GLY A 121 24.328 32.532 9.251 1.00 17.90 H new ATOM 0 HA2 GLY A 121 25.281 30.098 8.480 1.00 22.19 H new ATOM 0 HA3 GLY A 121 23.917 30.144 9.235 1.00 22.19 H new ATOM 940 N ASP A 122 23.588 29.987 6.498 1.00 17.70 N ATOM 941 CA ASP A 122 22.909 30.296 5.254 1.00 19.90 C ATOM 942 C ASP A 122 21.618 29.584 5.202 1.00 15.27 C ATOM 943 O ASP A 122 20.953 29.648 4.169 1.00 16.25 O ATOM 944 CB ASP A 122 23.709 29.666 4.077 1.00 28.65 C ATOM 945 CG ASP A 122 24.186 28.227 4.269 1.00 33.51 C ATOM 946 OD1 ASP A 122 23.728 27.386 5.025 1.00 35.08 O ATOM 947 OD2 ASP A 122 25.143 27.956 3.466 1.00 36.10 O ATOM 0 H ASP A 122 23.820 29.166 6.604 1.00 17.70 H new ATOM 0 HA ASP A 122 22.815 31.260 5.196 1.00 19.90 H new ATOM 0 HB2 ASP A 122 23.155 29.698 3.282 1.00 28.65 H new ATOM 0 HB3 ASP A 122 24.485 30.222 3.905 1.00 28.65 H new ATOM 948 N THR A 123 21.321 28.852 6.292 1.00 9.29 N ATOM 949 CA THR A 123 20.078 28.077 6.312 1.00 12.87 C ATOM 950 C THR A 123 19.331 28.402 7.615 1.00 12.50 C ATOM 951 O THR A 123 19.964 28.384 8.638 1.00 8.73 O ATOM 952 CB THR A 123 20.423 26.549 6.185 1.00 15.51 C ATOM 953 OG1 THR A 123 21.220 26.397 5.028 1.00 15.91 O ATOM 954 CG2 THR A 123 19.150 25.716 5.972 1.00 13.77 C ATOM 0 H THR A 123 21.807 28.795 6.999 1.00 9.29 H new ATOM 0 HA THR A 123 19.502 28.306 5.566 1.00 12.87 H new ATOM 0 HB THR A 123 20.869 26.252 6.993 1.00 15.51 H new ATOM 0 HG1 THR A 123 22.001 26.661 5.189 1.00 15.91 H new ATOM 0 HG21 THR A 123 19.386 24.778 5.896 1.00 13.77 H new ATOM 0 HG22 THR A 123 18.553 25.839 6.726 1.00 13.77 H new ATOM 0 HG23 THR A 123 18.707 26.004 5.159 1.00 13.77 H new ATOM 955 N HIS A 124 18.012 28.693 7.508 1.00 9.39 N ATOM 956 CA HIS A 124 17.167 29.029 8.594 1.00 9.60 C ATOM 957 C HIS A 124 15.971 28.135 8.730 1.00 15.24 C ATOM 958 O HIS A 124 15.441 27.637 7.741 1.00 17.20 O ATOM 959 CB HIS A 124 16.563 30.421 8.264 1.00 11.63 C ATOM 960 CG HIS A 124 17.703 31.350 8.199 1.00 15.52 C ATOM 961 ND1 HIS A 124 18.338 31.629 6.997 1.00 16.36 N ATOM 962 CD2 HIS A 124 18.356 32.053 9.190 1.00 18.99 C ATOM 963 CE1 HIS A 124 19.341 32.490 7.266 1.00 18.62 C ATOM 964 NE2 HIS A 124 19.383 32.753 8.581 1.00 17.90 N ATOM 0 H HIS A 124 17.601 28.690 6.753 1.00 9.39 H new ATOM 0 HA HIS A 124 17.703 28.972 9.401 1.00 9.60 H new ATOM 0 HB2 HIS A 124 16.083 30.401 7.422 1.00 11.63 H new ATOM 0 HB3 HIS A 124 15.929 30.695 8.945 1.00 11.63 H new ATOM 0 HD1 HIS A 124 18.131 31.312 6.225 1.00 16.36 H new ATOM 0 HD2 HIS A 124 18.146 32.056 10.096 1.00 18.99 H new ATOM 0 HE1 HIS A 124 19.919 32.849 6.632 1.00 18.62 H new ATOM 965 N PHE A 125 15.528 27.979 9.977 1.00 11.36 N ATOM 966 CA PHE A 125 14.342 27.231 10.246 1.00 10.99 C ATOM 967 C PHE A 125 13.225 28.169 9.777 1.00 14.30 C ATOM 968 O PHE A 125 13.393 29.380 9.908 1.00 12.26 O ATOM 969 CB PHE A 125 14.219 26.995 11.773 1.00 9.30 C ATOM 970 CG PHE A 125 13.071 26.043 12.006 1.00 9.65 C ATOM 971 CD1 PHE A 125 13.175 24.673 11.750 1.00 11.13 C ATOM 972 CD2 PHE A 125 11.860 26.527 12.504 1.00 14.09 C ATOM 973 CE1 PHE A 125 12.083 23.828 12.002 1.00 17.99 C ATOM 974 CE2 PHE A 125 10.762 25.701 12.721 1.00 16.53 C ATOM 975 CZ PHE A 125 10.869 24.336 12.472 1.00 15.50 C ATOM 0 H PHE A 125 15.913 28.306 10.673 1.00 11.36 H new ATOM 0 HA PHE A 125 14.322 26.363 9.813 1.00 10.99 H new ATOM 0 HB2 PHE A 125 15.043 26.626 12.127 1.00 9.30 H new ATOM 0 HB3 PHE A 125 14.063 27.834 12.234 1.00 9.30 H new ATOM 0 HD1 PHE A 125 13.967 24.321 11.413 1.00 11.13 H new ATOM 0 HD2 PHE A 125 11.785 27.434 12.697 1.00 14.09 H new ATOM 0 HE1 PHE A 125 12.169 22.914 11.854 1.00 17.99 H new ATOM 0 HE2 PHE A 125 9.961 26.059 13.031 1.00 16.53 H new ATOM 0 HZ PHE A 125 10.144 23.771 12.616 1.00 15.50 H new ATOM 976 N PRO A 126 12.100 27.691 9.218 1.00 13.50 N ATOM 977 CA PRO A 126 11.096 28.598 8.789 1.00 13.73 C ATOM 978 C PRO A 126 10.516 29.424 9.919 1.00 19.25 C ATOM 979 O PRO A 126 10.482 29.140 11.091 1.00 16.25 O ATOM 980 CB PRO A 126 9.940 27.784 8.177 1.00 11.70 C ATOM 981 CG PRO A 126 10.304 26.320 8.338 1.00 12.85 C ATOM 982 CD PRO A 126 11.652 26.283 9.019 1.00 13.81 C ATOM 0 HA PRO A 126 11.511 29.204 8.155 1.00 13.73 H new ATOM 0 HB2 PRO A 126 9.104 27.982 8.626 1.00 11.70 H new ATOM 0 HB3 PRO A 126 9.819 28.008 7.241 1.00 11.70 H new ATOM 0 HG2 PRO A 126 9.637 25.855 8.867 1.00 12.85 H new ATOM 0 HG3 PRO A 126 10.341 25.877 7.476 1.00 12.85 H new ATOM 0 HD2 PRO A 126 11.590 25.822 9.870 1.00 13.81 H new ATOM 0 HD3 PRO A 126 12.293 25.795 8.478 1.00 13.81 H new ATOM 983 N ASP A 127 9.979 30.499 9.538 1.00 18.18 N ATOM 984 CA ASP A 127 9.416 31.333 10.537 1.00 26.05 C ATOM 985 C ASP A 127 8.095 30.796 10.989 1.00 22.14 C ATOM 986 O ASP A 127 7.285 30.364 10.192 1.00 25.58 O ATOM 987 CB ASP A 127 9.246 32.708 9.896 1.00 44.20 C ATOM 988 CG ASP A 127 9.098 33.783 10.910 1.00 57.69 C ATOM 989 OD1 ASP A 127 9.690 33.491 12.044 1.00 60.61 O ATOM 990 OD2 ASP A 127 8.481 34.805 10.681 1.00 64.40 O ATOM 0 H ASP A 127 9.920 30.778 8.727 1.00 18.18 H new ATOM 0 HA ASP A 127 9.986 31.377 11.321 1.00 26.05 H new ATOM 0 HB2 ASP A 127 10.013 32.899 9.334 1.00 44.20 H new ATOM 0 HB3 ASP A 127 8.467 32.700 9.319 1.00 44.20 H new ATOM 991 N TYR A 128 7.879 30.829 12.294 1.00 19.74 N ATOM 992 CA TYR A 128 6.657 30.315 12.844 1.00 27.08 C ATOM 993 C TYR A 128 6.088 31.307 13.841 1.00 24.93 C ATOM 994 O TYR A 128 6.793 32.073 14.457 1.00 26.69 O ATOM 995 CB TYR A 128 6.863 28.946 13.535 1.00 26.22 C ATOM 996 CG TYR A 128 7.919 28.961 14.627 1.00 25.53 C ATOM 997 CD1 TYR A 128 9.271 29.129 14.319 1.00 19.65 C ATOM 998 CD2 TYR A 128 7.546 28.834 15.967 1.00 24.77 C ATOM 999 CE1 TYR A 128 10.234 29.178 15.324 1.00 23.82 C ATOM 1000 CE2 TYR A 128 8.505 28.867 16.980 1.00 24.30 C ATOM 1001 CZ TYR A 128 9.853 29.044 16.660 1.00 27.34 C ATOM 1002 OH TYR A 128 10.829 29.088 17.663 1.00 27.46 O ATOM 0 H TYR A 128 8.432 31.146 12.872 1.00 19.74 H new ATOM 0 HA TYR A 128 6.036 30.185 12.110 1.00 27.08 H new ATOM 0 HB2 TYR A 128 6.020 28.656 13.917 1.00 26.22 H new ATOM 0 HB3 TYR A 128 7.112 28.290 12.865 1.00 26.22 H new ATOM 0 HD1 TYR A 128 9.532 29.209 13.430 1.00 19.65 H new ATOM 0 HD2 TYR A 128 6.649 28.726 16.186 1.00 24.77 H new ATOM 0 HE1 TYR A 128 11.130 29.300 15.105 1.00 23.82 H new ATOM 0 HE2 TYR A 128 8.247 28.771 17.868 1.00 24.30 H new ATOM 0 HH TYR A 128 10.464 28.996 18.414 1.00 27.46 H new ATOM 1003 N GLU A 129 4.798 31.290 13.981 1.00 25.85 N ATOM 1004 CA GLU A 129 4.190 32.224 14.909 1.00 33.07 C ATOM 1005 C GLU A 129 3.960 31.476 16.185 1.00 36.46 C ATOM 1006 O GLU A 129 3.144 30.574 16.194 1.00 30.65 O ATOM 1007 CB GLU A 129 2.827 32.679 14.429 1.00 35.44 C ATOM 1008 CG GLU A 129 2.360 33.831 15.314 1.00 52.31 C ATOM 1009 CD GLU A 129 3.155 35.048 14.979 1.00 64.45 C ATOM 1010 OE1 GLU A 129 3.190 35.314 13.676 1.00 70.34 O ATOM 1011 OE2 GLU A 129 3.766 35.647 15.821 1.00 65.17 O ATOM 0 H GLU A 129 4.257 30.766 13.567 1.00 25.85 H new ATOM 0 HA GLU A 129 4.770 32.996 15.004 1.00 33.07 H new ATOM 0 HB2 GLU A 129 2.874 32.963 13.503 1.00 35.44 H new ATOM 0 HB3 GLU A 129 2.194 31.945 14.469 1.00 35.44 H new ATOM 0 HG2 GLU A 129 1.415 33.999 15.176 1.00 52.31 H new ATOM 0 HG3 GLU A 129 2.474 33.603 16.250 1.00 52.31 H new ATOM 1012 N PRO A 130 4.672 31.852 17.234 1.00 42.47 N ATOM 1013 CA PRO A 130 4.487 31.128 18.462 1.00 46.55 C ATOM 1014 C PRO A 130 3.045 30.951 18.957 1.00 50.37 C ATOM 1015 O PRO A 130 2.722 29.920 19.589 1.00 51.52 O ATOM 1016 CB PRO A 130 5.539 31.628 19.459 1.00 47.29 C ATOM 1017 CG PRO A 130 6.556 32.397 18.615 1.00 44.73 C ATOM 1018 CD PRO A 130 5.850 32.774 17.314 1.00 39.26 C ATOM 0 HA PRO A 130 4.652 30.185 18.306 1.00 46.55 H new ATOM 0 HB2 PRO A 130 5.139 32.199 20.133 1.00 47.29 H new ATOM 0 HB3 PRO A 130 5.959 30.889 19.926 1.00 47.29 H new ATOM 0 HG2 PRO A 130 6.863 33.190 19.083 1.00 44.73 H new ATOM 0 HG3 PRO A 130 7.338 31.852 18.437 1.00 44.73 H new ATOM 0 HD2 PRO A 130 5.570 33.703 17.322 1.00 39.26 H new ATOM 0 HD3 PRO A 130 6.437 32.662 16.550 1.00 39.26 H new ATOM 1019 N ASP A 131 2.171 31.921 18.638 1.00 49.58 N ATOM 1020 CA ASP A 131 0.787 31.842 19.080 1.00 48.53 C ATOM 1021 C ASP A 131 -0.084 30.752 18.555 1.00 42.42 C ATOM 1022 O ASP A 131 -1.107 30.489 19.167 1.00 40.51 O ATOM 1023 CB ASP A 131 0.053 33.156 19.100 1.00 59.95 C ATOM 1024 CG ASP A 131 0.405 34.011 20.289 1.00 73.07 C ATOM 1025 OD1 ASP A 131 1.155 33.432 21.240 1.00 71.62 O ATOM 1026 OD2 ASP A 131 -0.047 35.145 20.340 1.00 83.14 O ATOM 0 H ASP A 131 2.365 32.618 18.174 1.00 49.58 H new ATOM 0 HA ASP A 131 0.959 31.563 19.993 1.00 48.53 H new ATOM 0 HB2 ASP A 131 0.253 33.645 18.286 1.00 59.95 H new ATOM 0 HB3 ASP A 131 -0.902 32.987 19.101 1.00 59.95 H new ATOM 1027 N ASP A 132 0.351 30.157 17.427 1.00 40.84 N ATOM 1028 CA ASP A 132 -0.316 29.049 16.741 1.00 33.73 C ATOM 1029 C ASP A 132 0.056 27.719 17.355 1.00 26.22 C ATOM 1030 O ASP A 132 -0.389 26.673 16.892 1.00 25.59 O ATOM 1031 CB ASP A 132 0.184 28.938 15.307 1.00 41.50 C ATOM 1032 CG ASP A 132 -0.179 30.160 14.536 1.00 50.82 C ATOM 1033 OD1 ASP A 132 -0.794 31.097 15.027 1.00 48.08 O ATOM 1034 OD2 ASP A 132 0.141 30.021 13.268 1.00 54.23 O ATOM 0 H ASP A 132 1.073 30.404 17.031 1.00 40.84 H new ATOM 0 HA ASP A 132 -1.267 29.230 16.803 1.00 33.73 H new ATOM 0 HB2 ASP A 132 1.147 28.819 15.302 1.00 41.50 H new ATOM 0 HB3 ASP A 132 -0.201 28.155 14.884 1.00 41.50 H new ATOM 1035 N TRP A 133 0.909 27.794 18.374 1.00 25.13 N ATOM 1036 CA TRP A 133 1.370 26.601 19.023 1.00 25.99 C ATOM 1037 C TRP A 133 1.265 26.620 20.546 1.00 31.43 C ATOM 1038 O TRP A 133 1.393 27.622 21.269 1.00 33.77 O ATOM 1039 CB TRP A 133 2.859 26.391 18.602 1.00 27.39 C ATOM 1040 CG TRP A 133 3.074 26.307 17.119 1.00 17.44 C ATOM 1041 CD1 TRP A 133 3.195 27.350 16.279 1.00 17.51 C ATOM 1042 CD2 TRP A 133 3.184 25.109 16.333 1.00 15.09 C ATOM 1043 NE1 TRP A 133 3.354 26.915 15.002 1.00 20.97 N ATOM 1044 CE2 TRP A 133 3.355 25.516 14.985 1.00 21.75 C ATOM 1045 CE3 TRP A 133 3.148 23.764 16.609 1.00 12.47 C ATOM 1046 CZ2 TRP A 133 3.496 24.581 13.927 1.00 19.59 C ATOM 1047 CZ3 TRP A 133 3.309 22.843 15.559 1.00 14.17 C ATOM 1048 CH2 TRP A 133 3.479 23.225 14.234 1.00 14.43 C ATOM 0 H TRP A 133 1.224 28.527 18.694 1.00 25.13 H new ATOM 0 HA TRP A 133 0.793 25.874 18.741 1.00 25.99 H new ATOM 0 HB2 TRP A 133 3.390 27.122 18.955 1.00 27.39 H new ATOM 0 HB3 TRP A 133 3.189 25.577 19.013 1.00 27.39 H new ATOM 0 HD1 TRP A 133 3.173 28.243 16.536 1.00 17.51 H new ATOM 0 HE1 TRP A 133 3.441 27.421 14.312 1.00 20.97 H new ATOM 0 HE3 TRP A 133 3.019 23.466 17.480 1.00 12.47 H new ATOM 0 HZ2 TRP A 133 3.597 24.869 13.048 1.00 19.59 H new ATOM 0 HZ3 TRP A 133 3.301 21.935 15.761 1.00 14.17 H new ATOM 0 HH2 TRP A 133 3.579 22.586 13.566 1.00 14.43 H new ATOM 1049 N GLU A 134 1.044 25.446 21.076 1.00 26.12 N ATOM 1050 CA GLU A 134 0.990 25.400 22.499 1.00 29.48 C ATOM 1051 C GLU A 134 2.261 24.825 23.073 1.00 26.22 C ATOM 1052 O GLU A 134 2.614 23.723 22.724 1.00 26.83 O ATOM 1053 CB GLU A 134 -0.106 24.466 22.947 1.00 31.55 C ATOM 1054 CG GLU A 134 -0.175 24.596 24.477 1.00 46.80 C ATOM 1055 CD GLU A 134 -1.461 24.031 25.036 1.00 63.19 C ATOM 1056 OE1 GLU A 134 -2.453 23.990 24.152 1.00 65.49 O ATOM 1057 OE2 GLU A 134 -1.542 23.581 26.176 1.00 70.63 O ATOM 0 H GLU A 134 0.929 24.704 20.656 1.00 26.12 H new ATOM 0 HA GLU A 134 0.845 26.310 22.801 1.00 29.48 H new ATOM 0 HB2 GLU A 134 -0.953 24.705 22.540 1.00 31.55 H new ATOM 0 HB3 GLU A 134 0.088 23.552 22.685 1.00 31.55 H new ATOM 0 HG2 GLU A 134 0.580 24.134 24.874 1.00 46.80 H new ATOM 0 HG3 GLU A 134 -0.098 25.531 24.725 1.00 46.80 H new ATOM 1058 N SER A 135 2.939 25.534 23.956 1.00 25.72 N ATOM 1059 CA SER A 135 4.150 24.983 24.493 1.00 22.36 C ATOM 1060 C SER A 135 3.815 23.920 25.472 1.00 27.38 C ATOM 1061 O SER A 135 3.349 24.188 26.557 1.00 33.86 O ATOM 1062 CB SER A 135 4.994 26.061 25.145 1.00 26.37 C ATOM 1063 OG SER A 135 6.279 25.579 25.464 1.00 27.16 O ATOM 0 H SER A 135 2.719 26.313 24.247 1.00 25.72 H new ATOM 0 HA SER A 135 4.669 24.600 23.769 1.00 22.36 H new ATOM 0 HB2 SER A 135 5.070 26.821 24.547 1.00 26.37 H new ATOM 0 HB3 SER A 135 4.555 26.376 25.950 1.00 26.37 H new ATOM 0 HG SER A 135 6.728 26.192 25.822 1.00 27.16 H new ATOM 1064 N VAL A 136 4.058 22.677 25.099 1.00 18.80 N ATOM 1065 CA VAL A 136 3.749 21.647 25.990 1.00 22.66 C ATOM 1066 C VAL A 136 4.890 21.223 26.906 1.00 27.97 C ATOM 1067 O VAL A 136 4.632 20.630 27.968 1.00 27.55 O ATOM 1068 CB VAL A 136 3.073 20.436 25.330 1.00 27.43 C ATOM 1069 CG1 VAL A 136 2.008 20.825 24.295 1.00 25.02 C ATOM 1070 CG2 VAL A 136 4.096 19.444 24.832 1.00 29.23 C ATOM 0 H VAL A 136 4.395 22.436 24.345 1.00 18.80 H new ATOM 0 HA VAL A 136 3.089 22.057 26.571 1.00 22.66 H new ATOM 0 HB VAL A 136 2.566 19.976 26.017 1.00 27.43 H new ATOM 0 HG11 VAL A 136 1.618 20.023 23.914 1.00 25.02 H new ATOM 0 HG12 VAL A 136 1.314 21.348 24.726 1.00 25.02 H new ATOM 0 HG13 VAL A 136 2.418 21.350 23.590 1.00 25.02 H new ATOM 0 HG21 VAL A 136 3.643 18.691 24.421 1.00 29.23 H new ATOM 0 HG22 VAL A 136 4.670 19.872 24.178 1.00 29.23 H new ATOM 0 HG23 VAL A 136 4.633 19.131 25.577 1.00 29.23 H new ATOM 1071 N PHE A 137 6.126 21.502 26.489 1.00 17.82 N ATOM 1072 CA PHE A 137 7.215 21.089 27.288 1.00 13.58 C ATOM 1073 C PHE A 137 8.339 22.018 27.010 1.00 16.92 C ATOM 1074 O PHE A 137 8.498 22.467 25.892 1.00 17.28 O ATOM 1075 CB PHE A 137 7.582 19.673 26.878 1.00 18.40 C ATOM 1076 CG PHE A 137 8.903 19.194 27.437 1.00 17.31 C ATOM 1077 CD1 PHE A 137 10.071 19.466 26.739 1.00 11.76 C ATOM 1078 CD2 PHE A 137 8.985 18.470 28.625 1.00 16.69 C ATOM 1079 CE1 PHE A 137 11.307 19.043 27.203 1.00 15.61 C ATOM 1080 CE2 PHE A 137 10.221 18.051 29.117 1.00 21.64 C ATOM 1081 CZ PHE A 137 11.380 18.338 28.397 1.00 22.68 C ATOM 0 H PHE A 137 6.328 21.919 25.764 1.00 17.82 H new ATOM 0 HA PHE A 137 7.004 21.102 28.235 1.00 13.58 H new ATOM 0 HB2 PHE A 137 6.880 19.070 27.169 1.00 18.40 H new ATOM 0 HB3 PHE A 137 7.614 19.625 25.910 1.00 18.40 H new ATOM 0 HD1 PHE A 137 10.024 19.943 25.942 1.00 11.76 H new ATOM 0 HD2 PHE A 137 8.209 18.264 29.094 1.00 16.69 H new ATOM 0 HE1 PHE A 137 12.079 19.230 26.720 1.00 15.61 H new ATOM 0 HE2 PHE A 137 10.272 17.584 29.919 1.00 21.64 H new ATOM 0 HZ PHE A 137 12.206 18.056 28.718 1.00 22.68 H new ATOM 1082 N SER A 138 9.084 22.346 28.062 1.00 16.89 N ATOM 1083 CA SER A 138 10.216 23.245 27.917 1.00 15.18 C ATOM 1084 C SER A 138 11.236 22.994 29.008 1.00 16.45 C ATOM 1085 O SER A 138 10.912 22.732 30.146 1.00 24.31 O ATOM 1086 CB SER A 138 9.865 24.687 27.721 1.00 21.29 C ATOM 1087 OG SER A 138 10.117 25.280 28.938 1.00 35.21 O ATOM 0 H SER A 138 8.950 22.060 28.862 1.00 16.89 H new ATOM 0 HA SER A 138 10.634 23.025 27.070 1.00 15.18 H new ATOM 0 HB2 SER A 138 10.400 25.087 27.017 1.00 21.29 H new ATOM 0 HB3 SER A 138 8.935 24.791 27.465 1.00 21.29 H new ATOM 0 HG SER A 138 9.939 26.100 28.893 1.00 35.21 H new ATOM 1088 N GLU A 139 12.496 23.026 28.674 1.00 10.45 N ATOM 1089 CA GLU A 139 13.454 22.769 29.685 1.00 13.46 C ATOM 1090 C GLU A 139 14.848 23.268 29.314 1.00 16.35 C ATOM 1091 O GLU A 139 15.509 22.753 28.417 1.00 23.14 O ATOM 1092 CB GLU A 139 13.403 21.265 29.844 1.00 19.71 C ATOM 1093 CG GLU A 139 14.646 20.805 30.564 1.00 31.04 C ATOM 1094 CD GLU A 139 14.637 19.323 30.741 1.00 39.27 C ATOM 1095 OE1 GLU A 139 13.994 18.780 31.645 1.00 39.85 O ATOM 1096 OE2 GLU A 139 15.322 18.712 29.768 1.00 37.30 O ATOM 0 H GLU A 139 12.806 23.190 27.889 1.00 10.45 H new ATOM 0 HA GLU A 139 13.257 23.239 30.510 1.00 13.46 H new ATOM 0 HB2 GLU A 139 12.612 21.007 30.343 1.00 19.71 H new ATOM 0 HB3 GLU A 139 13.342 20.838 28.975 1.00 19.71 H new ATOM 0 HG2 GLU A 139 15.433 21.070 30.062 1.00 31.04 H new ATOM 0 HG3 GLU A 139 14.702 21.238 31.430 1.00 31.04 H new ATOM 1097 N PHE A 140 15.249 24.285 30.072 1.00 12.27 N ATOM 1098 CA PHE A 140 16.495 25.019 30.001 1.00 11.28 C ATOM 1099 C PHE A 140 17.617 24.339 30.712 1.00 18.68 C ATOM 1100 O PHE A 140 17.463 23.687 31.769 1.00 18.76 O ATOM 1101 CB PHE A 140 16.314 26.484 30.487 1.00 17.19 C ATOM 1102 CG PHE A 140 17.679 27.135 30.547 1.00 32.06 C ATOM 1103 CD1 PHE A 140 18.251 27.718 29.404 1.00 34.46 C ATOM 1104 CD2 PHE A 140 18.452 27.125 31.722 1.00 37.78 C ATOM 1105 CE1 PHE A 140 19.523 28.302 29.413 1.00 28.83 C ATOM 1106 CE2 PHE A 140 19.730 27.705 31.752 1.00 31.73 C ATOM 1107 CZ PHE A 140 20.261 28.292 30.598 1.00 30.23 C ATOM 0 H PHE A 140 14.745 24.587 30.700 1.00 12.27 H new ATOM 0 HA PHE A 140 16.747 25.041 29.064 1.00 11.28 H new ATOM 0 HB2 PHE A 140 15.733 26.972 29.882 1.00 17.19 H new ATOM 0 HB3 PHE A 140 15.893 26.501 31.360 1.00 17.19 H new ATOM 0 HD1 PHE A 140 17.766 27.716 28.611 1.00 34.46 H new ATOM 0 HD2 PHE A 140 18.111 26.728 32.491 1.00 37.78 H new ATOM 0 HE1 PHE A 140 19.871 28.690 28.643 1.00 28.83 H new ATOM 0 HE2 PHE A 140 20.224 27.699 32.540 1.00 31.73 H new ATOM 0 HZ PHE A 140 21.108 28.676 30.621 1.00 30.23 H new ATOM 1108 N HIS A 141 18.796 24.494 30.090 1.00 21.72 N ATOM 1109 CA HIS A 141 20.048 23.931 30.565 1.00 18.22 C ATOM 1110 C HIS A 141 21.183 24.834 30.303 1.00 14.48 C ATOM 1111 O HIS A 141 21.299 25.421 29.210 1.00 13.44 O ATOM 1112 CB HIS A 141 20.380 22.608 29.830 1.00 16.70 C ATOM 1113 CG HIS A 141 19.300 21.577 29.987 1.00 17.39 C ATOM 1114 ND1 HIS A 141 19.413 20.604 30.943 1.00 19.38 N ATOM 1115 CD2 HIS A 141 18.129 21.399 29.336 1.00 18.19 C ATOM 1116 CE1 HIS A 141 18.352 19.849 30.844 1.00 17.87 C ATOM 1117 NE2 HIS A 141 17.570 20.293 29.894 1.00 18.36 N ATOM 0 H HIS A 141 18.881 24.943 29.362 1.00 21.72 H new ATOM 0 HA HIS A 141 19.929 23.789 31.517 1.00 18.22 H new ATOM 0 HB2 HIS A 141 20.514 22.790 28.887 1.00 16.70 H new ATOM 0 HB3 HIS A 141 21.215 22.252 30.172 1.00 16.70 H new ATOM 0 HD2 HIS A 141 17.780 21.922 28.651 1.00 18.19 H new ATOM 0 HE1 HIS A 141 18.178 19.104 31.372 1.00 17.87 H new ATOM 0 HE2 HIS A 141 16.821 19.941 29.660 1.00 18.36 H new ATOM 1118 N ASP A 142 22.034 24.927 31.291 1.00 12.06 N ATOM 1119 CA ASP A 142 23.220 25.753 31.172 1.00 15.22 C ATOM 1120 C ASP A 142 24.355 24.972 30.458 1.00 17.25 C ATOM 1121 O ASP A 142 24.338 23.759 30.432 1.00 16.17 O ATOM 1122 CB ASP A 142 23.762 26.130 32.545 1.00 25.09 C ATOM 1123 CG ASP A 142 22.919 27.055 33.394 1.00 41.92 C ATOM 1124 OD1 ASP A 142 22.434 28.107 32.805 1.00 43.89 O ATOM 1125 OD2 ASP A 142 22.805 26.894 34.576 1.00 54.04 O ATOM 0 H ASP A 142 21.950 24.522 32.045 1.00 12.06 H new ATOM 0 HA ASP A 142 22.962 26.543 30.671 1.00 15.22 H new ATOM 0 HB2 ASP A 142 23.907 25.312 33.046 1.00 25.09 H new ATOM 0 HB3 ASP A 142 24.630 26.544 32.421 1.00 25.09 H new ATOM 1126 N ALA A 143 25.355 25.656 29.902 1.00 13.78 N ATOM 1127 CA ALA A 143 26.460 24.975 29.263 1.00 16.28 C ATOM 1128 C ALA A 143 27.205 24.252 30.388 1.00 20.39 C ATOM 1129 O ALA A 143 27.120 24.670 31.525 1.00 22.49 O ATOM 1130 CB ALA A 143 27.425 26.059 28.711 1.00 9.54 C ATOM 0 H ALA A 143 25.405 26.514 29.888 1.00 13.78 H new ATOM 0 HA ALA A 143 26.165 24.377 28.558 1.00 16.28 H new ATOM 0 HB1 ALA A 143 28.178 25.630 28.276 1.00 9.54 H new ATOM 0 HB2 ALA A 143 26.955 26.615 28.070 1.00 9.54 H new ATOM 0 HB3 ALA A 143 27.745 26.610 29.442 1.00 9.54 H new ATOM 1131 N ASP A 144 27.961 23.208 30.106 1.00 17.43 N ATOM 1132 CA ASP A 144 28.699 22.483 31.119 1.00 13.39 C ATOM 1133 C ASP A 144 29.959 21.920 30.531 1.00 15.45 C ATOM 1134 O ASP A 144 30.385 22.313 29.434 1.00 17.63 O ATOM 1135 CB ASP A 144 27.819 21.412 31.794 1.00 14.80 C ATOM 1136 CG ASP A 144 27.326 20.422 30.798 1.00 20.86 C ATOM 1137 OD1 ASP A 144 27.854 20.244 29.721 1.00 22.06 O ATOM 1138 OD2 ASP A 144 26.328 19.720 31.222 1.00 25.45 O ATOM 0 H ASP A 144 28.061 22.896 29.311 1.00 17.43 H new ATOM 0 HA ASP A 144 28.958 23.097 31.824 1.00 13.39 H new ATOM 0 HB2 ASP A 144 28.328 20.957 32.483 1.00 14.80 H new ATOM 0 HB3 ASP A 144 27.066 21.837 32.233 1.00 14.80 H new ATOM 1139 N ALA A 145 30.564 21.002 31.242 1.00 12.19 N ATOM 1140 CA ALA A 145 31.799 20.400 30.777 1.00 17.46 C ATOM 1141 C ALA A 145 31.651 19.692 29.435 1.00 21.61 C ATOM 1142 O ALA A 145 32.625 19.546 28.693 1.00 18.05 O ATOM 1143 CB ALA A 145 32.403 19.417 31.764 1.00 17.55 C ATOM 0 H ALA A 145 30.281 20.708 31.999 1.00 12.19 H new ATOM 0 HA ALA A 145 32.397 21.157 30.679 1.00 17.46 H new ATOM 0 HB1 ALA A 145 33.223 19.051 31.396 1.00 17.55 H new ATOM 0 HB2 ALA A 145 32.599 19.874 32.597 1.00 17.55 H new ATOM 0 HB3 ALA A 145 31.774 18.697 31.930 1.00 17.55 H new ATOM 1144 N GLN A 146 30.421 19.269 29.125 1.00 15.20 N ATOM 1145 CA GLN A 146 30.168 18.576 27.893 1.00 20.20 C ATOM 1146 C GLN A 146 29.481 19.353 26.796 1.00 16.76 C ATOM 1147 O GLN A 146 29.664 19.027 25.644 1.00 14.55 O ATOM 1148 CB GLN A 146 29.294 17.414 28.308 1.00 24.26 C ATOM 1149 CG GLN A 146 30.129 16.590 29.299 1.00 35.51 C ATOM 1150 CD GLN A 146 29.240 15.294 29.787 0.00 20.00 C ATOM 1151 OE1 GLN A 146 29.693 14.477 30.588 0.00 20.00 O ATOM 1152 NE2 GLN A 146 27.999 15.014 29.410 0.00 20.00 N ATOM 0 H GLN A 146 29.730 19.381 29.624 1.00 15.20 H new ATOM 0 HA GLN A 146 31.020 18.348 27.489 1.00 20.20 H new ATOM 0 HB2 GLN A 146 28.474 17.726 28.721 1.00 24.26 H new ATOM 0 HB3 GLN A 146 29.039 16.879 27.540 1.00 24.26 H new ATOM 0 HG2 GLN A 146 30.953 16.295 28.881 1.00 35.51 H new ATOM 0 HG3 GLN A 146 30.378 17.134 30.063 1.00 35.51 H new ATOM 0 HE21 GLN A 146 27.593 15.526 28.851 0.00 20.00 H new ATOM 0 HE22 GLN A 146 27.600 14.320 29.725 0.00 20.00 H new ATOM 1153 N ASN A 147 28.705 20.333 27.180 1.00 14.64 N ATOM 1154 CA ASN A 147 27.951 21.163 26.241 1.00 13.03 C ATOM 1155 C ASN A 147 28.518 22.549 26.207 1.00 17.47 C ATOM 1156 O ASN A 147 28.516 23.196 27.225 1.00 12.06 O ATOM 1157 CB ASN A 147 26.454 21.138 26.659 1.00 12.54 C ATOM 1158 CG ASN A 147 25.920 19.695 26.630 1.00 16.51 C ATOM 1159 OD1 ASN A 147 25.470 19.187 25.623 1.00 15.10 O ATOM 1160 ND2 ASN A 147 26.160 18.923 27.658 1.00 11.83 N ATOM 0 H ASN A 147 28.590 20.549 28.004 1.00 14.64 H new ATOM 0 HA ASN A 147 28.021 20.816 25.338 1.00 13.03 H new ATOM 0 HB2 ASN A 147 26.353 21.510 27.549 1.00 12.54 H new ATOM 0 HB3 ASN A 147 25.934 21.695 26.059 1.00 12.54 H new ATOM 0 HD21 ASN A 147 25.999 18.080 27.609 1.00 11.83 H new ATOM 0 HD22 ASN A 147 26.479 19.259 28.383 1.00 11.83 H new ATOM 1161 N SER A 148 29.003 22.996 25.028 1.00 15.66 N ATOM 1162 CA SER A 148 29.614 24.285 24.874 1.00 13.56 C ATOM 1163 C SER A 148 28.764 25.534 25.136 1.00 16.04 C ATOM 1164 O SER A 148 29.325 26.566 25.511 1.00 13.13 O ATOM 1165 CB SER A 148 30.234 24.389 23.491 1.00 8.98 C ATOM 1166 OG SER A 148 29.183 24.332 22.537 1.00 12.26 O ATOM 0 H SER A 148 28.975 22.537 24.302 1.00 15.66 H new ATOM 0 HA SER A 148 30.265 24.303 25.593 1.00 13.56 H new ATOM 0 HB2 SER A 148 30.729 25.219 23.402 1.00 8.98 H new ATOM 0 HB3 SER A 148 30.864 23.666 23.346 1.00 8.98 H new ATOM 0 HG SER A 148 28.793 25.075 22.505 1.00 12.26 H new ATOM 1167 N HIS A 149 27.448 25.485 24.948 1.00 13.15 N ATOM 1168 CA HIS A 149 26.558 26.636 25.123 1.00 15.59 C ATOM 1169 C HIS A 149 25.295 26.227 25.855 1.00 20.81 C ATOM 1170 O HIS A 149 24.989 25.056 25.953 1.00 19.17 O ATOM 1171 CB HIS A 149 26.038 27.017 23.710 1.00 15.06 C ATOM 1172 CG HIS A 149 27.137 27.501 22.776 1.00 16.01 C ATOM 1173 ND1 HIS A 149 28.022 26.645 22.125 1.00 16.34 N ATOM 1174 CD2 HIS A 149 27.454 28.777 22.408 1.00 16.03 C ATOM 1175 CE1 HIS A 149 28.854 27.391 21.419 1.00 16.23 C ATOM 1176 NE2 HIS A 149 28.505 28.669 21.568 1.00 17.58 N ATOM 0 H HIS A 149 27.037 24.768 24.710 1.00 13.15 H new ATOM 0 HA HIS A 149 27.041 27.333 25.594 1.00 15.59 H new ATOM 0 HB2 HIS A 149 25.601 26.247 23.314 1.00 15.06 H new ATOM 0 HB3 HIS A 149 25.366 27.711 23.796 1.00 15.06 H new ATOM 0 HD2 HIS A 149 27.032 29.560 22.680 1.00 16.03 H new ATOM 0 HE1 HIS A 149 29.563 27.077 20.905 1.00 16.23 H new ATOM 0 HE2 HIS A 149 28.895 29.332 21.183 1.00 17.58 H new ATOM 1177 N SER A 150 24.535 27.193 26.351 1.00 11.00 N ATOM 1178 CA SER A 150 23.326 26.804 27.034 1.00 13.02 C ATOM 1179 C SER A 150 22.333 26.560 25.960 1.00 13.98 C ATOM 1180 O SER A 150 22.530 27.048 24.870 1.00 11.89 O ATOM 1181 CB SER A 150 22.753 27.860 27.958 1.00 14.18 C ATOM 1182 OG SER A 150 22.885 29.151 27.389 1.00 18.17 O ATOM 0 H SER A 150 24.694 28.037 26.305 1.00 11.00 H new ATOM 0 HA SER A 150 23.526 26.039 27.595 1.00 13.02 H new ATOM 0 HB2 SER A 150 21.817 27.672 28.130 1.00 14.18 H new ATOM 0 HB3 SER A 150 23.210 27.830 28.813 1.00 14.18 H new ATOM 0 HG SER A 150 22.123 29.487 27.277 1.00 18.17 H new ATOM 1183 N TYR A 151 21.283 25.811 26.306 1.00 10.37 N ATOM 1184 CA TYR A 151 20.269 25.444 25.363 1.00 10.31 C ATOM 1185 C TYR A 151 18.993 25.130 26.061 1.00 16.54 C ATOM 1186 O TYR A 151 18.953 24.875 27.289 1.00 19.60 O ATOM 1187 CB TYR A 151 20.716 24.202 24.576 1.00 8.08 C ATOM 1188 CG TYR A 151 21.097 23.070 25.508 1.00 11.97 C ATOM 1189 CD1 TYR A 151 22.337 23.077 26.157 1.00 14.73 C ATOM 1190 CD2 TYR A 151 20.255 21.983 25.773 1.00 14.03 C ATOM 1191 CE1 TYR A 151 22.711 22.067 27.052 1.00 15.50 C ATOM 1192 CE2 TYR A 151 20.592 20.979 26.684 1.00 9.65 C ATOM 1193 CZ TYR A 151 21.833 21.017 27.311 1.00 13.53 C ATOM 1194 OH TYR A 151 22.194 20.035 28.194 1.00 13.52 O ATOM 0 H TYR A 151 21.153 25.508 27.100 1.00 10.37 H new ATOM 0 HA TYR A 151 20.131 26.191 24.760 1.00 10.31 H new ATOM 0 HB2 TYR A 151 20.000 23.913 23.988 1.00 8.08 H new ATOM 0 HB3 TYR A 151 21.472 24.428 24.012 1.00 8.08 H new ATOM 0 HD1 TYR A 151 22.930 23.773 25.989 1.00 14.73 H new ATOM 0 HD2 TYR A 151 19.441 21.927 25.326 1.00 14.03 H new ATOM 0 HE1 TYR A 151 23.541 22.097 27.471 1.00 15.50 H new ATOM 0 HE2 TYR A 151 19.993 20.292 26.869 1.00 9.65 H new ATOM 0 HH TYR A 151 22.449 20.385 28.914 1.00 13.52 H new ATOM 1195 N CYS A 152 17.937 25.132 25.262 1.00 12.89 N ATOM 1196 CA CYS A 152 16.640 24.840 25.768 1.00 13.98 C ATOM 1197 C CYS A 152 15.852 23.885 24.917 1.00 11.99 C ATOM 1198 O CYS A 152 15.712 24.058 23.710 1.00 13.82 O ATOM 1199 CB CYS A 152 15.892 26.188 25.900 1.00 16.15 C ATOM 1200 SG CYS A 152 14.160 26.020 26.469 1.00 28.75 S ATOM 0 H CYS A 152 17.966 25.303 24.420 1.00 12.89 H new ATOM 0 HA CYS A 152 16.738 24.390 26.622 1.00 13.98 H new ATOM 0 HB2 CYS A 152 16.374 26.756 26.521 1.00 16.15 H new ATOM 0 HB3 CYS A 152 15.899 26.638 25.041 1.00 16.15 H new ATOM 0 HG CYS A 152 13.656 27.106 26.545 1.00 28.75 H new ATOM 1201 N PHE A 153 15.282 22.854 25.508 1.00 8.36 N ATOM 1202 CA PHE A 153 14.470 22.002 24.661 1.00 7.41 C ATOM 1203 C PHE A 153 13.041 22.448 24.781 1.00 15.17 C ATOM 1204 O PHE A 153 12.608 22.827 25.862 1.00 19.56 O ATOM 1205 CB PHE A 153 14.413 20.574 25.220 1.00 9.27 C ATOM 1206 CG PHE A 153 15.739 19.969 25.139 1.00 13.20 C ATOM 1207 CD1 PHE A 153 16.399 19.930 23.920 1.00 10.74 C ATOM 1208 CD2 PHE A 153 16.347 19.403 26.255 1.00 11.14 C ATOM 1209 CE1 PHE A 153 17.670 19.357 23.856 1.00 10.94 C ATOM 1210 CE2 PHE A 153 17.599 18.801 26.184 1.00 13.54 C ATOM 1211 CZ PHE A 153 18.279 18.782 24.966 1.00 10.84 C ATOM 0 H PHE A 153 15.342 22.637 26.338 1.00 8.36 H new ATOM 0 HA PHE A 153 14.843 22.042 23.766 1.00 7.41 H new ATOM 0 HB2 PHE A 153 14.109 20.588 26.141 1.00 9.27 H new ATOM 0 HB3 PHE A 153 13.774 20.045 24.718 1.00 9.27 H new ATOM 0 HD1 PHE A 153 16.001 20.281 23.156 1.00 10.74 H new ATOM 0 HD2 PHE A 153 15.904 19.428 27.072 1.00 11.14 H new ATOM 0 HE1 PHE A 153 18.124 19.360 23.045 1.00 10.94 H new ATOM 0 HE2 PHE A 153 17.979 18.415 26.940 1.00 13.54 H new ATOM 0 HZ PHE A 153 19.121 18.393 24.898 1.00 10.84 H new ATOM 1212 N GLU A 154 12.252 22.379 23.716 1.00 12.08 N ATOM 1213 CA GLU A 154 10.886 22.790 23.769 1.00 7.27 C ATOM 1214 C GLU A 154 10.073 21.927 22.811 1.00 16.00 C ATOM 1215 O GLU A 154 10.572 21.587 21.735 1.00 13.67 O ATOM 1216 CB GLU A 154 10.861 24.258 23.296 1.00 12.76 C ATOM 1217 CG GLU A 154 9.459 24.787 23.050 1.00 22.88 C ATOM 1218 CD GLU A 154 9.371 26.303 22.916 1.00 32.43 C ATOM 1219 OE1 GLU A 154 10.209 26.805 22.040 1.00 30.74 O ATOM 1220 OE2 GLU A 154 8.496 26.948 23.464 1.00 32.80 O ATOM 0 H GLU A 154 12.507 22.090 22.947 1.00 12.08 H new ATOM 0 HA GLU A 154 10.513 22.701 24.660 1.00 7.27 H new ATOM 0 HB2 GLU A 154 11.297 24.813 23.961 1.00 12.76 H new ATOM 0 HB3 GLU A 154 11.377 24.337 22.479 1.00 12.76 H new ATOM 0 HG2 GLU A 154 9.110 24.381 22.241 1.00 22.88 H new ATOM 0 HG3 GLU A 154 8.886 24.504 23.780 1.00 22.88 H new ATOM 1221 N ILE A 155 8.861 21.558 23.222 1.00 15.95 N ATOM 1222 CA ILE A 155 7.932 20.758 22.431 1.00 12.06 C ATOM 1223 C ILE A 155 6.700 21.585 22.195 1.00 15.94 C ATOM 1224 O ILE A 155 6.052 21.993 23.156 1.00 14.41 O ATOM 1225 CB ILE A 155 7.568 19.362 22.998 1.00 12.86 C ATOM 1226 CG1 ILE A 155 8.817 18.517 23.110 1.00 11.54 C ATOM 1227 CG2 ILE A 155 6.608 18.629 22.043 1.00 18.52 C ATOM 1228 CD1 ILE A 155 8.549 17.106 23.689 1.00 14.88 C ATOM 0 H ILE A 155 8.548 21.774 23.994 1.00 15.95 H new ATOM 0 HA ILE A 155 8.392 20.540 21.605 1.00 12.06 H new ATOM 0 HB ILE A 155 7.152 19.490 23.865 1.00 12.86 H new ATOM 0 HG12 ILE A 155 9.221 18.429 22.232 1.00 11.54 H new ATOM 0 HG13 ILE A 155 9.461 18.975 23.673 1.00 11.54 H new ATOM 0 HG21 ILE A 155 6.389 17.758 22.410 1.00 18.52 H new ATOM 0 HG22 ILE A 155 5.796 19.149 21.938 1.00 18.52 H new ATOM 0 HG23 ILE A 155 7.034 18.518 21.179 1.00 18.52 H new ATOM 0 HD11 ILE A 155 9.382 16.612 23.737 1.00 14.88 H new ATOM 0 HD12 ILE A 155 8.170 17.188 24.578 1.00 14.88 H new ATOM 0 HD13 ILE A 155 7.926 16.633 23.115 1.00 14.88 H new ATOM 1229 N LEU A 156 6.394 21.881 20.917 1.00 11.79 N ATOM 1230 CA LEU A 156 5.201 22.677 20.622 1.00 15.47 C ATOM 1231 C LEU A 156 4.147 21.884 19.842 1.00 19.80 C ATOM 1232 O LEU A 156 4.479 21.075 18.941 1.00 14.99 O ATOM 1233 CB LEU A 156 5.566 23.934 19.850 1.00 15.91 C ATOM 1234 CG LEU A 156 6.611 24.718 20.608 1.00 30.12 C ATOM 1235 CD1 LEU A 156 7.909 24.613 19.851 1.00 35.79 C ATOM 1236 CD2 LEU A 156 6.185 26.136 20.496 1.00 31.76 C ATOM 0 H LEU A 156 6.852 21.636 20.231 1.00 11.79 H new ATOM 0 HA LEU A 156 4.816 22.922 21.478 1.00 15.47 H new ATOM 0 HB2 LEU A 156 5.902 23.697 18.971 1.00 15.91 H new ATOM 0 HB3 LEU A 156 4.776 24.480 19.714 1.00 15.91 H new ATOM 0 HG LEU A 156 6.710 24.408 21.522 1.00 30.12 H new ATOM 0 HD11 LEU A 156 8.598 25.110 20.319 1.00 35.79 H new ATOM 0 HD12 LEU A 156 8.171 23.681 19.785 1.00 35.79 H new ATOM 0 HD13 LEU A 156 7.795 24.980 18.960 1.00 35.79 H new ATOM 0 HD21 LEU A 156 6.818 26.702 20.965 1.00 31.76 H new ATOM 0 HD22 LEU A 156 6.154 26.392 19.561 1.00 31.76 H new ATOM 0 HD23 LEU A 156 5.304 26.241 20.889 1.00 31.76 H new ATOM 1237 N GLU A 157 2.871 22.068 20.176 1.00 17.36 N ATOM 1238 CA GLU A 157 1.762 21.335 19.495 1.00 18.77 C ATOM 1239 C GLU A 157 0.884 22.344 18.829 1.00 22.12 C ATOM 1240 O GLU A 157 0.571 23.376 19.405 1.00 21.64 O ATOM 1241 CB GLU A 157 0.928 20.381 20.324 1.00 23.08 C ATOM 1242 CG GLU A 157 1.810 19.292 20.950 1.00 37.77 C ATOM 1243 CD GLU A 157 1.028 18.256 21.718 1.00 47.44 C ATOM 1244 OE1 GLU A 157 -0.188 18.282 21.789 1.00 49.63 O ATOM 1245 OE2 GLU A 157 1.796 17.341 22.288 1.00 50.94 O ATOM 0 H GLU A 157 2.611 22.609 20.792 1.00 17.36 H new ATOM 0 HA GLU A 157 2.204 20.737 18.872 1.00 18.77 H new ATOM 0 HB2 GLU A 157 0.466 20.871 21.022 1.00 23.08 H new ATOM 0 HB3 GLU A 157 0.247 19.972 19.767 1.00 23.08 H new ATOM 0 HG2 GLU A 157 2.315 18.852 20.249 1.00 37.77 H new ATOM 0 HG3 GLU A 157 2.453 19.708 21.545 1.00 37.77 H new ATOM 1246 N ARG A 158 0.543 22.048 17.611 1.00 25.45 N ATOM 1247 CA ARG A 158 -0.259 22.993 16.868 1.00 30.42 C ATOM 1248 C ARG A 158 -1.613 23.164 17.507 1.00 31.87 C ATOM 1249 O ARG A 158 -2.273 22.205 17.845 1.00 31.25 O ATOM 1250 CB ARG A 158 -0.375 22.610 15.404 1.00 25.09 C ATOM 1251 CG ARG A 158 -0.606 23.786 14.527 1.00 27.41 C ATOM 1252 CD ARG A 158 -0.995 23.272 13.153 1.00 37.13 C ATOM 1253 NE ARG A 158 0.163 22.983 12.293 1.00 42.85 N ATOM 1254 CZ ARG A 158 0.838 23.952 11.683 1.00 36.39 C ATOM 1255 NH1 ARG A 158 0.486 25.228 11.850 1.00 36.34 N ATOM 1256 NH2 ARG A 158 1.878 23.663 10.925 1.00 25.27 N ATOM 0 H ARG A 158 0.754 21.326 17.194 1.00 25.45 H new ATOM 0 HA ARG A 158 0.195 23.850 16.897 1.00 30.42 H new ATOM 0 HB2 ARG A 158 0.436 22.157 15.126 1.00 25.09 H new ATOM 0 HB3 ARG A 158 -1.104 21.980 15.294 1.00 25.09 H new ATOM 0 HG2 ARG A 158 -1.308 24.348 14.891 1.00 27.41 H new ATOM 0 HG3 ARG A 158 0.194 24.331 14.472 1.00 27.41 H new ATOM 0 HD2 ARG A 158 -1.525 22.466 13.254 1.00 37.13 H new ATOM 0 HD3 ARG A 158 -1.559 23.929 12.716 1.00 37.13 H new ATOM 0 HE ARG A 158 0.409 22.167 12.182 1.00 42.85 H new ATOM 0 HH11 ARG A 158 -0.181 25.428 12.355 1.00 36.34 H new ATOM 0 HH12 ARG A 158 0.926 25.851 11.453 1.00 36.34 H new ATOM 0 HH21 ARG A 158 2.122 22.845 10.824 1.00 25.27 H new ATOM 0 HH22 ARG A 158 2.312 24.293 10.532 1.00 25.27 H new ATOM 1257 N ARG A 159 -1.997 24.414 17.664 1.00 34.03 N ATOM 1258 CA ARG A 159 -3.264 24.804 18.228 1.00 37.22 C ATOM 1259 C ARG A 159 -4.246 24.535 17.089 1.00 48.11 C ATOM 1260 O ARG A 159 -4.949 23.491 17.167 1.00 53.65 O ATOM 1261 CB ARG A 159 -3.184 26.309 18.521 1.00 37.21 C ATOM 1262 CG ARG A 159 -2.976 26.577 20.012 1.00 40.26 C ATOM 1263 CD ARG A 159 -3.033 28.037 20.517 1.00 41.45 C ATOM 1264 NE ARG A 159 -1.955 28.222 21.528 1.00 52.52 N ATOM 1265 CZ ARG A 159 -1.768 29.138 22.506 1.00 53.43 C ATOM 1266 NH1 ARG A 159 -2.611 30.156 22.774 1.00 56.96 N ATOM 1267 NH2 ARG A 159 -0.670 29.035 23.262 1.00 44.99 N ATOM 1268 OXT ARG A 159 -4.074 25.205 16.024 1.00 49.01 O ATOM 0 H ARG A 159 -1.507 25.083 17.436 1.00 34.03 H new ATOM 0 HA ARG A 159 -3.513 24.344 19.045 1.00 37.22 H new ATOM 0 HB2 ARG A 159 -2.454 26.700 18.015 1.00 37.21 H new ATOM 0 HB3 ARG A 159 -3.999 26.742 18.224 1.00 37.21 H new ATOM 0 HG2 ARG A 159 -3.645 26.071 20.498 1.00 40.26 H new ATOM 0 HG3 ARG A 159 -2.111 26.214 20.259 1.00 40.26 H new ATOM 0 HD2 ARG A 159 -2.914 28.655 19.779 1.00 41.45 H new ATOM 0 HD3 ARG A 159 -3.900 28.226 20.909 1.00 41.45 H new ATOM 0 HE ARG A 159 -1.331 27.632 21.481 1.00 52.52 H new ATOM 0 HH11 ARG A 159 -3.326 30.256 22.307 1.00 56.96 H new ATOM 0 HH12 ARG A 159 -2.433 30.705 23.412 1.00 56.96 H new ATOM 0 HH21 ARG A 159 -0.108 28.400 23.119 1.00 44.99 H new ATOM 0 HH22 ARG A 159 -0.526 29.604 23.891 1.00 44.99 H new TER 1269 ARG A 159 HETATM 1270 CA CA A 700 27.318 28.051 12.024 1.00 66.75 CA HETATM 1271 PA NAP A 164 18.154 19.836 2.621 1.00 12.02 P HETATM 1272 O1A NAP A 164 16.777 20.352 2.700 1.00 5.59 O HETATM 1273 O2A NAP A 164 18.781 18.632 3.539 1.00 16.23 O HETATM 1274 O5B NAP A 164 18.182 19.178 1.121 1.00 12.72 O HETATM 1275 C5B NAP A 164 17.519 19.856 0.087 1.00 8.92 C HETATM 1276 C4B NAP A 164 17.602 18.889 -1.158 1.00 11.95 C HETATM 1277 O4B NAP A 164 16.495 17.941 -0.938 1.00 14.24 O HETATM 1278 C3B NAP A 164 17.192 19.569 -2.538 1.00 12.43 C HETATM 1279 O3B NAP A 164 18.352 20.047 -3.057 1.00 15.31 O HETATM 1280 C2B NAP A 164 16.589 18.312 -3.289 1.00 12.50 C HETATM 1281 O2B NAP A 164 17.704 17.364 -3.559 1.00 15.05 O HETATM 1282 C1B NAP A 164 15.739 17.649 -2.189 1.00 14.44 C HETATM 1283 N9A NAP A 164 14.433 18.077 -2.103 1.00 11.75 N HETATM 1284 C8A NAP A 164 13.873 18.976 -1.230 1.00 17.12 C HETATM 1285 N7A NAP A 164 12.604 19.147 -1.428 1.00 15.96 N HETATM 1286 C5A NAP A 164 12.326 18.311 -2.515 1.00 11.35 C HETATM 1287 C6A NAP A 164 11.148 18.055 -3.218 1.00 18.09 C HETATM 1288 N6A NAP A 164 9.951 18.627 -2.936 1.00 14.96 N HETATM 1289 N1A NAP A 164 11.238 17.185 -4.244 1.00 22.88 N HETATM 1290 C2A NAP A 164 12.428 16.637 -4.545 1.00 20.62 C HETATM 1291 N3A NAP A 164 13.587 16.807 -3.949 1.00 18.01 N HETATM 1292 C4A NAP A 164 13.439 17.659 -2.925 1.00 11.04 C HETATM 1293 O3 NAP A 164 19.057 21.069 2.234 1.00 21.09 O HETATM 1294 PN NAP A 164 19.236 22.532 2.947 1.00 20.71 P HETATM 1295 O1N NAP A 164 18.153 23.214 2.535 1.00 15.54 O HETATM 1296 O2N NAP A 164 19.470 22.375 4.359 1.00 20.46 O HETATM 1297 O5D NAP A 164 20.603 23.048 2.297 1.00 26.75 O HETATM 1298 P2B NAP A 164 18.281 17.385 -5.154 1.00 15.37 P HETATM 1299 O1X NAP A 164 19.131 16.083 -5.150 1.00 18.55 O HETATM 1300 O2X NAP A 164 17.124 17.530 -6.020 1.00 15.79 O HETATM 1301 O3X NAP A 164 19.185 18.514 -5.098 1.00 14.47 O HETATM 0 H62A NAP A 164 9.259 18.429 -3.406 1.00 14.96 H new HETATM 0 H61A NAP A 164 9.885 19.188 -2.287 1.00 14.96 H new HETATM 0 H52A NAP A 164 16.597 20.044 0.325 1.00 8.92 H new HETATM 0 H51A NAP A 164 17.942 20.708 -0.102 1.00 8.92 H new HETATM 0 H8A NAP A 164 14.374 19.435 -0.538 1.00 17.12 H new HETATM 0 H4B NAP A 164 18.509 18.550 -1.219 1.00 11.95 H new HETATM 0 H3B NAP A 164 16.567 20.311 -2.547 1.00 12.43 H new HETATM 0 H2B NAP A 164 16.119 18.535 -4.108 1.00 12.50 H new HETATM 0 H2A NAP A 164 12.432 16.034 -5.305 1.00 20.62 H new HETATM 0 H1B NAP A 164 15.627 16.704 -2.378 1.00 14.44 H new HETATM 1302 O HOH A 701 6.071 6.536 14.324 1.00 13.25 O HETATM 1303 O HOH A 702 17.649 25.887 2.010 1.00 19.67 O HETATM 1304 O HOH A 703 20.870 22.877 13.217 1.00 23.77 O HETATM 1305 O HOH A 704 8.987 11.751 20.913 1.00 33.53 O HETATM 1306 O HOH A 705 20.828 32.391 2.968 1.00 24.54 O HETATM 1307 O HOH A 706 6.961 17.836 -3.679 1.00 24.16 O HETATM 1308 O HOH A 707 22.362 11.482 -4.784 1.00 30.63 O HETATM 1309 O HOH A 708 27.002 18.991 18.950 1.00 25.45 O HETATM 1310 O HOH A 709 10.286 5.142 20.012 1.00 41.62 O HETATM 1311 O HOH A 710 21.326 14.456 -6.278 1.00 26.77 O HETATM 1312 O HOH A 711 21.505 -2.827 -3.666 1.00 15.32 O HETATM 1313 O HOH A 712 18.430 19.851 10.259 1.00 45.86 O HETATM 1314 O HOH A 714 32.047 26.987 11.356 1.00 22.43 O HETATM 1315 O HOH A 715 16.173 19.964 -6.365 1.00 27.17 O HETATM 1316 O HOH A 716 14.086 8.464 -6.905 1.00 26.56 O HETATM 1317 O HOH A 717 7.222 4.003 14.080 1.00 31.44 O HETATM 1318 O HOH A 718 6.100 6.325 -1.980 1.00 34.60 O HETATM 1319 O HOH A 719 14.557 4.020 -3.406 1.00 28.35 O HETATM 1320 O HOH A 720 18.968 -0.615 15.269 1.00 39.89 O HETATM 1321 O HOH A 721 0.816 0.250 11.804 1.00 23.82 O HETATM 1322 O HOH A 722 3.900 12.880 -6.147 1.00 37.03 O HETATM 1323 O HOH A 723 15.130 10.317 -5.785 1.00 25.47 O HETATM 1324 O HOH A 724 18.671 21.220 12.832 1.00 28.75 O HETATM 1325 O HOH A 726 21.477 34.588 9.440 1.00 26.61 O HETATM 1326 O HOH A 727 19.098 21.058 -6.575 1.00 24.37 O HETATM 1327 O HOH A 729 20.033 11.778 -5.636 1.00 25.78 O HETATM 1328 O HOH A 730 2.001 7.992 5.896 1.00 37.29 O HETATM 1329 O HOH A 731 9.192 0.816 14.055 1.00 48.07 O HETATM 1330 O HOH A 733 22.699 32.767 14.660 1.00 25.12 O HETATM 1331 O HOH A 734 21.444 21.043 -4.943 1.00 39.52 O HETATM 1332 O HOH A 735 26.138 18.346 -3.230 1.00 51.69 O HETATM 1333 O HOH A 737 20.181 27.175 1.879 1.00 49.30 O HETATM 1334 O HOH A 738 15.268 19.460 18.810 1.00 13.79 O HETATM 1335 O HOH A 739 16.627 -0.478 16.873 1.00 26.76 O HETATM 1336 O HOH A 740 16.580 29.276 18.961 1.00 19.29 O HETATM 1337 O HOH A 741 31.534 17.365 24.705 1.00 41.84 O HETATM 1338 O HOH A 742 27.379 33.091 20.629 1.00 33.12 O HETATM 1339 O HOH A 743 16.078 31.751 17.175 1.00 33.90 O HETATM 1340 O HOH A 744 8.194 1.015 16.962 1.00 27.46 O HETATM 1341 O HOH A 745 19.509 15.354 26.408 1.00 28.33 O HETATM 1342 O HOH A 746 23.932 21.156 29.593 1.00 34.44 O HETATM 1343 O HOH A 747 18.563 28.705 25.559 1.00 40.08 O HETATM 1344 O HOH A 748 5.015 11.757 19.866 1.00 35.27 O HETATM 1345 O HOH A 749 27.305 22.693 8.838 1.00 38.81 O HETATM 1346 O HOH A 750 17.755 17.901 17.854 1.00 27.27 O HETATM 1347 O HOH A 751 19.750 38.617 16.470 1.00 36.84 O HETATM 1348 O HOH A 752 21.568 10.282 -9.187 1.00 40.48 O HETATM 1349 O HOH A 753 22.606 35.124 11.470 1.00 42.45 O HETATM 1350 O HOH A 754 18.615 18.434 14.501 1.00 38.52 O HETATM 1351 O HOH A 755 13.634 24.660 32.450 1.00 41.32 O HETATM 1352 O HOH A 756 23.522 0.986 -2.946 1.00 27.09 O HETATM 1353 O HOH A 757 18.907 9.485 24.367 1.00 42.19 O HETATM 1354 O HOH A 758 16.048 16.400 29.029 1.00 36.70 O HETATM 1355 O HOH A 759 6.154 24.749 28.676 1.00 49.81 O HETATM 1356 O HOH A 760 15.689 1.411 -1.314 1.00 40.14 O HETATM 1357 O HOH A 761 11.528 16.320 -8.017 1.00 38.64 O HETATM 1358 O HOH A 762 6.620 2.168 7.568 1.00 38.53 O HETATM 1359 O HOH A 763 17.565 17.208 12.621 1.00 40.81 O HETATM 1360 O HOH A 764 14.104 2.821 3.874 1.00 38.08 O HETATM 1361 O HOH A 765 4.840 38.355 13.016 1.00 41.82 O HETATM 1362 O HOH A 766 30.419 29.651 19.333 1.00 37.85 O HETATM 1363 O HOH A 767 -2.265 15.216 12.397 1.00 51.15 O HETATM 1364 O HOH A 768 21.726 13.395 -12.577 1.00 41.70 O HETATM 1365 O HOH A 769 22.940 2.510 9.387 1.00 44.10 O HETATM 1366 O HOH A 770 3.619 1.104 7.778 1.00 37.07 O HETATM 1367 O HOH A 771 17.687 22.826 -3.360 1.00 45.26 O HETATM 1368 O HOH A 772 17.259 13.180 -14.021 1.00 43.15 O HETATM 1369 O HOH A 773 10.422 5.576 -3.619 1.00 46.79 O HETATM 1370 O HOH A 774 10.647 8.365 20.784 1.00 50.79 O HETATM 1371 O HOH A 775 25.914 14.635 -4.448 1.00 47.27 O HETATM 1372 O HOH A 776 15.766 6.760 -7.213 1.00 37.21 O HETATM 1373 O HOH A 779 4.900 8.520 18.609 1.00 37.80 O HETATM 1374 O HOH A 780 22.311 34.212 5.746 1.00 39.50 O HETATM 1375 O HOH A 781 25.366 25.287 3.234 1.00 47.71 O HETATM 1376 O HOH A 782 23.130 24.142 1.924 1.00 46.19 O HETATM 1377 O HOH A 783 8.678 2.480 2.222 1.00 56.31 O HETATM 1378 O HOH A 784 24.180 11.390 -8.124 1.00 51.14 O HETATM 1379 O HOH A 785 9.063 17.752 -6.226 1.00 45.77 O HETATM 1380 O HOH A 786 11.374 23.720 -2.154 1.00 46.95 O HETATM 1381 O HOH A 787 21.154 17.788 29.168 1.00 45.91 O HETATM 1382 O HOH A 789 25.092 8.093 -1.250 1.00 44.26 O HETATM 1383 O HOH A 790 0.361 16.076 11.158 1.00 34.68 O HETATM 1384 O HOH A 792 24.358 12.969 -5.989 1.00 48.45 O HETATM 1385 O HOH A 793 13.491 26.501 6.084 1.00 42.69 O HETATM 1386 O HOH A 794 21.032 39.545 14.571 1.00 53.83 O HETATM 1387 O HOH A 795 12.273 7.023 -6.460 1.00 54.07 O HETATM 1388 O HOH A 796 18.568 31.697 27.222 1.00 41.61 O HETATM 1389 O HOH A 797 12.730 23.007 33.873 1.00 55.03 O HETATM 1390 O HOH A 798 3.240 39.425 14.723 1.00 40.34 O HETATM 1391 O HOH A 799 10.562 3.190 10.873 1.00 41.72 O HETATM 1392 O HOH A 800 2.658 29.112 24.048 1.00 47.30 O HETATM 1393 O HOH A 801 22.402 3.175 -5.986 1.00 43.34 O HETATM 1394 O HOH A 802 19.100 4.325 -4.460 1.00 43.51 O HETATM 1395 O HOH A 803 4.091 16.440 -3.187 1.00 45.91 O HETATM 1396 O HOH A 804 26.008 28.484 30.644 1.00 50.15 O HETATM 1397 O HOH A 805 4.347 28.826 21.919 1.00 47.04 O HETATM 1398 O HOH A 806 19.401 -0.401 11.194 1.00 46.33 O HETATM 1399 O HOH A 808 25.220 12.252 23.681 1.00 46.11 O HETATM 1400 O HOH A 810 24.322 21.618 3.342 1.00 47.93 O HETATM 1401 O HOH A 812 13.360 0.685 13.413 1.00 53.62 O HETATM 1402 O HOH A 813 21.270 21.398 32.894 1.00 51.70 O HETATM 1403 O HOH A 814 20.692 22.133 6.681 1.00 49.27 O HETATM 1404 O HOH A 815 28.083 36.534 20.086 1.00 50.30 O HETATM 1405 O HOH A 816 19.856 19.493 8.055 1.00 50.55 O HETATM 1406 O HOH A 817 14.877 0.825 3.027 1.00 48.41 O HETATM 1407 O HOH A 818 13.747 28.982 5.766 1.00 47.08 O HETATM 1408 O HOH A 819 25.224 15.971 28.136 1.00 47.46 O HETATM 1409 O HOH A 820 27.920 29.148 4.434 1.00 53.09 O HETATM 1410 O HOH A 823 35.415 20.186 29.480 1.00 60.01 O HETATM 1411 O HOH A 824 21.430 13.606 27.973 1.00 42.31 O HETATM 1412 O HOH A 825 10.705 35.730 13.663 1.00 45.90 O HETATM 1413 O HOH A 826 -2.053 -0.321 10.947 1.00 46.41 O HETATM 1414 O HOH A 828 25.949 17.145 30.656 1.00 44.73 O HETATM 1415 O HOH A 829 23.237 22.937 6.419 1.00 45.24 O HETATM 1416 O HOH A 830 13.381 1.479 -0.484 1.00 46.73 O HETATM 1417 O HOH A 831 6.739 26.879 5.362 1.00 44.74 O HETATM 1418 O HOH A 832 4.097 22.196 1.722 1.00 43.31 O HETATM 1419 O HOH A 833 25.980 18.215 2.124 1.00 45.98 O HETATM 1420 O HOH A 834 23.888 11.958 -2.231 1.00 42.02 O HETATM 1421 O HOH A 835 16.101 2.603 5.649 1.00 41.79 O HETATM 1422 O HOH A 836 12.975 19.988 -5.401 1.00 44.03 O HETATM 1423 O HOH A 837 -2.093 11.508 12.525 1.00 48.18 O HETATM 1424 O HOH A 838 28.395 31.454 19.447 1.00 45.85 O HETATM 1425 O HOH A 839 25.241 1.287 -0.030 1.00 52.59 O HETATM 1426 O HOH A 841 7.231 20.588 -3.691 1.00 47.19 O HETATM 1427 O HOH A 842 23.267 26.662 1.078 1.00 50.70 O HETATM 1428 O HOH A 843 29.569 12.249 5.327 1.00 51.08 O HETATM 1429 O HOH A 844 22.002 5.760 -8.780 1.00 50.80 O HETATM 1430 O HOH A 845 12.669 15.298 -11.180 1.00 49.26 O HETATM 1431 O HOH A 846 -2.391 22.867 20.589 1.00 51.57 O HETATM 1432 O HOH A 847 7.475 34.669 15.097 1.00 49.91 O HETATM 1433 O HOH A 848 16.660 22.152 33.713 1.00 50.43 O HETATM 1434 O HOH A 849 9.184 32.582 14.120 1.00 51.99 O HETATM 1435 O HOH A 851 29.484 9.117 9.224 1.00 55.05 O HETATM 1436 O HOH A 852 19.636 21.668 9.337 1.00 53.54 O HETATM 1437 O HOH A 853 18.744 2.536 9.534 1.00 51.25 O HETATM 1438 O HOH A 855 23.524 29.952 32.117 1.00 51.82 O HETATM 1439 O HOH A 856 23.143 20.464 18.014 1.00 50.63 O CONECT 113 1270 CONECT 143 1270 CONECT 1270 113 143 CONECT 1271 1272 1273 1274 1293 CONECT 1272 1271 CONECT 1273 1271 CONECT 1274 1271 1275 CONECT 1275 1274 1276 CONECT 1276 1275 1277 1278 CONECT 1277 1276 1282 CONECT 1278 1276 1279 1280 CONECT 1279 1278 CONECT 1280 1278 1281 1282 CONECT 1281 1280 1298 CONECT 1282 1277 1280 1283 CONECT 1283 1282 1284 1292 CONECT 1284 1283 1285 CONECT 1285 1284 1286 CONECT 1286 1285 1287 1292 CONECT 1287 1286 1288 1289 CONECT 1288 1287 CONECT 1289 1287 1290 CONECT 1290 1289 1291 CONECT 1291 1290 1292 CONECT 1292 1283 1286 1291 CONECT 1293 1271 1294 CONECT 1294 1293 1295 1296 1297 CONECT 1295 1294 CONECT 1296 1294 CONECT 1297 1294 CONECT 1298 1281 1299 1300 1301 CONECT 1299 1298 CONECT 1300 1298 CONECT 1301 1298 END