USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER STRUCTURAL PROTEIN 31-OCT-03 1RA4 TITLE CRYSTAL STRUCTURE OF THE METHANOCOCCUS JANNASCHII L7AE TITLE 2 PROTEIN COMPND MOL_ID: 1; COMPND 2 MOLECULE: 50S RIBOSOMAL PROTEIN L7AE; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; SOURCE 3 ORGANISM_TAXID: 2190; SOURCE 4 GENE: RPL7AE, MJ1203; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3)PLYSS (NOVAGEN); SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET28A KEYWDS ALPHA-BETA-ALPHA SANDWICH FOLD, STRUCTURAL PROTEIN EXPDTA X-RAY DIFFRACTION AUTHOR J.SURYADI,E.J.TRAN,E.S.MAXWELL,B.A.BROWN REVDAT 3 24-FEB-09 1RA4 1 VERSN REVDAT 2 09-AUG-05 1RA4 1 JRNL REVDAT 1 16-NOV-04 1RA4 0 JRNL AUTH J.SURYADI,E.J.TRAN,E.S.MAXWELL,B.A.BROWN JRNL TITL THE CRYSTAL STRUCTURE OF THE METHANOCALDOCOCCUS JRNL TITL 2 JANNASCHII MULTIFUNCTIONAL L7AE RNA-BINDING JRNL TITL 3 PROTEIN REVEALS AN INDUCED-FIT INTERACTION WITH JRNL TITL 4 THE BOX C/D RNAS. JRNL REF BIOCHEMISTRY V. 44 9657 2005 JRNL REFN ISSN 0006-2960 JRNL PMID 16008351 JRNL DOI 10.1021/BI050568Q REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH E.J.TRAN,X.ZHANG,E.S.MAXWELL REMARK 1 TITL EFFICIENT RNA 2'-O-METHYLATION REQUIRES JUXAPOSED REMARK 1 TITL 2 AND SYMMETRICALLY ASSEMBLED ARCHAEAL BOX C/D AND REMARK 1 TITL 3 C'/D' RNPS REMARK 1 REF EMBO J. V. 22 3930 2003 REMARK 1 REFN ISSN 0261-4189 REMARK 1 DOI 10.1093/EMBOJ/CDG368 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.F.KUHN,E.J.TRAN,E.S.MAXWELL REMARK 1 TITL ARCHAEAL RIBOSOMAL PROTEIN L7 IS A FUNCTIONAL REMARK 1 TITL 2 HOMOLOG OF THE EUKARYOTIC 15.5KD/SNU13P SNORNP REMARK 1 TITL 3 CORE PROTEIN REMARK 1 REF NUCLEIC ACIDS RES. V. 30 931 2002 REMARK 1 REFN ISSN 0305-1048 REMARK 1 DOI 10.1093/NAR/30.4.931 REMARK 2 REMARK 2 RESOLUTION. 1.86 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, REMARK 3 : READ,RICE,SIMONSON,WARREN REMARK 3 REMARK 3 REFINEMENT TARGET : ENGH & HUBER REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.86 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 35.17 REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 486425.750 REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 98.6 REMARK 3 NUMBER OF REFLECTIONS : 9576 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM REMARK 3 R VALUE (WORKING SET) : 0.173 REMARK 3 FREE R VALUE : 0.223 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 10.300 REMARK 3 FREE R VALUE TEST SET COUNT : 991 REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.007 REMARK 3 REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. REMARK 3 TOTAL NUMBER OF BINS USED : 6 REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.86 REMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.98 REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 96.60 REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1385 REMARK 3 BIN R VALUE (WORKING SET) : 0.1850 REMARK 3 BIN FREE R VALUE : 0.2590 REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 9.00 REMARK 3 BIN FREE R VALUE TEST SET COUNT : 137 REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.022 REMARK 3 REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. REMARK 3 PROTEIN ATOMS : 892 REMARK 3 NUCLEIC ACID ATOMS : 0 REMARK 3 HETEROGEN ATOMS : 0 REMARK 3 SOLVENT ATOMS : 211 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 22.70 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 22.10 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : 0.65000 REMARK 3 B22 (A**2) : 0.75000 REMARK 3 B33 (A**2) : -1.40000 REMARK 3 B12 (A**2) : 0.00000 REMARK 3 B13 (A**2) : 0.00000 REMARK 3 B23 (A**2) : 0.00000 REMARK 3 REMARK 3 ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.17 REMARK 3 ESD FROM SIGMAA (A) : 0.03 REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 REMARK 3 REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.24 REMARK 3 ESD FROM C-V SIGMAA (A) : 0.12 REMARK 3 REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. REMARK 3 BOND LENGTHS (A) : 0.017 REMARK 3 BOND ANGLES (DEGREES) : 1.60 REMARK 3 DIHEDRAL ANGLES (DEGREES) : 23.00 REMARK 3 IMPROPER ANGLES (DEGREES) : 1.79 REMARK 3 REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED REMARK 3 REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL REMARK 3 REMARK 3 BULK SOLVENT MODELING. REMARK 3 METHOD USED : FLAT MODEL REMARK 3 KSOL : 0.41 REMARK 3 BSOL : 54.75 REMARK 3 REMARK 3 NCS MODEL : NULL REMARK 3 REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL REMARK 3 REMARK 3 PARAMETER FILE 1 : PROTEIN_REP.PARAM REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM REMARK 3 PARAMETER FILE 3 : ION.PARAM REMARK 3 PARAMETER FILE 4 : NULL REMARK 3 TOPOLOGY FILE 1 : PROTEIN.TOP REMARK 3 TOPOLOGY FILE 2 : WATER.TOP REMARK 3 TOPOLOGY FILE 3 : ION.TOP REMARK 3 TOPOLOGY FILE 4 : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1RA4 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-NOV-03. REMARK 100 THE RCSB ID CODE IS RCSB020623. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 05-FEB-02 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 7.5 REMARK 200 NUMBER OF CRYSTALS USED : 1 REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : N REMARK 200 RADIATION SOURCE : ROTATING ANODE REMARK 200 BEAMLINE : NULL REMARK 200 X-RAY GENERATOR MODEL : RIGAKU RU300 REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 1.5418 REMARK 200 MONOCHROMATOR : NULL REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : IMAGE PLATE REMARK 200 DETECTOR MANUFACTURER : MARRESEARCH REMARK 200 INTENSITY-INTEGRATION SOFTWARE : DENZO REMARK 200 DATA SCALING SOFTWARE : SCALEPACK REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9674 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.860 REMARK 200 RESOLUTION RANGE LOW (A) : 35.170 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 2.000 REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 96.8 REMARK 200 DATA REDUNDANCY : 6.500 REMARK 200 R MERGE (I) : NULL REMARK 200 R SYM (I) : 0.05900 REMARK 200 FOR THE DATA SET : 26.5000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.86 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.98 REMARK 200 COMPLETENESS FOR SHELL (%) : 96.6 REMARK 200 DATA REDUNDANCY IN SHELL : NULL REMARK 200 R MERGE FOR SHELL (I) : NULL REMARK 200 R SYM FOR SHELL (I) : 0.15100 REMARK 200 FOR SHELL : 12.970 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: EPMR REMARK 200 STARTING MODEL: THREADED MODEL CREATED IN SWISS PROT USING A REMARK 200 COMPOSITE OF THE FOLLOWING PDB ENTRIES: 1E7K 1CK2 1JJ2 MOL_ID REMARK 200 8; CHAIN: F REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 41.83 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.11 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: 20 % PEG 4000, 10 % ISOPROPANOL, REMARK 280 100 MM HEPES-NAOH, PH 7.5 , VAPOR DIFFUSION, HANGING DROP, REMARK 280 TEMPERATURE 298.0K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X+1/2,-Y,Z+1/2 REMARK 290 3555 -X,Y+1/2,-Z+1/2 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 21.94850 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 26.98750 REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 23.18000 REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 26.98750 REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 21.94850 REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 23.18000 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 GLY A 1 REMARK 465 SER A 2 REMARK 465 HIS A 3 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 OD1 ASP A 54 O HOH A 286 2.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH A 353 DISTANCE = 6.77 ANGSTROMS REMARK 525 HOH A 407 DISTANCE = 5.35 ANGSTROMS DBREF 1RA4 A 4 120 UNP P54066 RL7A_METJA 1 117 SEQADV 1RA4 GLY A 1 UNP P54066 CLONING ARTIFACT SEQADV 1RA4 SER A 2 UNP P54066 CLONING ARTIFACT SEQADV 1RA4 HIS A 3 UNP P54066 CLONING ARTIFACT SEQRES 1 A 120 GLY SER HIS MET ALA VAL TYR VAL LYS PHE LYS VAL PRO SEQRES 2 A 120 GLU GLU ILE GLN LYS GLU LEU LEU ASP ALA VAL ALA LYS SEQRES 3 A 120 ALA GLN LYS ILE LYS LYS GLY ALA ASN GLU VAL THR LYS SEQRES 4 A 120 ALA VAL GLU ARG GLY ILE ALA LYS LEU VAL ILE ILE ALA SEQRES 5 A 120 GLU ASP VAL LYS PRO GLU GLU VAL VAL ALA HIS LEU PRO SEQRES 6 A 120 TYR LEU CYS GLU GLU LYS GLY ILE PRO TYR ALA TYR VAL SEQRES 7 A 120 ALA SER LYS GLN ASP LEU GLY LYS ALA ALA GLY LEU GLU SEQRES 8 A 120 VAL ALA ALA SER SER VAL ALA ILE ILE ASN GLU GLY ASP SEQRES 9 A 120 ALA GLU GLU LEU LYS VAL LEU ILE GLU LYS VAL ASN VAL SEQRES 10 A 120 LEU LYS GLN FORMUL 2 HOH *211(H2 O) HELIX 1 1 PRO A 13 ALA A 27 1 15 HELIX 2 2 GLY A 33 ARG A 43 1 11 HELIX 3 3 PRO A 57 VAL A 61 5 5 HELIX 4 4 HIS A 63 LYS A 71 1 9 HELIX 5 5 SER A 80 ALA A 88 1 9 HELIX 6 6 ASP A 104 LYS A 119 1 16 SHEET 1 A 4 LYS A 29 LYS A 32 0 SHEET 2 A 4 SER A 96 ASN A 101 -1 O ILE A 100 N LYS A 29 SHEET 3 A 4 LEU A 48 ALA A 52 -1 N ILE A 50 O VAL A 97 SHEET 4 A 4 TYR A 75 VAL A 78 1 O ALA A 76 N ILE A 51 CISPEP 1 LYS A 56 PRO A 57 0 -2.97 CRYST1 43.897 46.360 53.975 90.00 90.00 90.00 P 21 21 21 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 0.022781 0.000000 0.000000 0.00000 SCALE2 0.000000 0.021570 0.000000 0.00000 SCALE3 0.000000 0.000000 0.018527 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 95 SER OG : rot -170:sc= 0.155 USER MOD Set 1.2: A 96 SER OG : rot -67:sc= 0.143 USER MOD Set 2.1: A 38 THR OG1 : rot 81:sc= 1.98 USER MOD Set 2.2: A 63 HIS : no HD1:sc= 2.14 K(o=4.1,f=-5.8!) USER MOD Single : A 4 MET CE :methyl 154:sc= -0.184 (180deg=-0.506) USER MOD Single : A 7 TYR OH : rot -4:sc= 1.32 USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0.0877 (180deg=0.087) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= 2.22 F(o=-2.7!,f=2.2) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.21 (180deg=1.16) USER MOD Single : A 28 GLN : amide:sc= -0.0956 X(o=-0.096,f=-0.096) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= 0.00886 (180deg=0.00451) USER MOD Single : A 32 LYS NZ :NH3+ 144:sc= 0.601 (180deg=0.177) USER MOD Single : A 35 ASN : amide:sc= -1.75! C(o=-1.7!,f=-3.9!) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= -0.0808 (180deg=-0.336) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= 1.37 (180deg=1.16) USER MOD Single : A 56 LYS NZ :NH3+ 155:sc= 0.811 (180deg=0.243) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 73:sc= 0.0227 USER MOD Single : A 71 LYS NZ :NH3+ -161:sc= 0.0684 (180deg=0.0199) USER MOD Single : A 75 TYR OH : rot 162:sc= 1.07 USER MOD Single : A 77 TYR OH : rot -31:sc= 1.46 USER MOD Single : A 80 SER OG : rot 59:sc= 1.2 USER MOD Single : A 81 LYS NZ :NH3+ -170:sc= 2.46 (180deg=2.31) USER MOD Single : A 82 GLN :FLIP amide:sc= 0.857 F(o=-0.63!,f=0.86) USER MOD Single : A 86 LYS NZ :NH3+ -143:sc= 0.151 (180deg=-0.159) USER MOD Single : A 101 ASN : amide:sc= -0.115 X(o=-0.12,f=0.21) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -153:sc= 0.00204 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.0363 K(o=-0.036,f=-0.67!) USER MOD Single : A 119 LYS NZ :NH3+ -115:sc= 0.467 (180deg=-0.528) USER MOD Single : A 120 GLN : amide:sc= -0.022 X(o=-0.022,f=-0.37) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 4 21.073 28.852 18.047 1.00 25.51 N ATOM 2 CA MET A 4 20.528 28.719 16.618 1.00 25.13 C ATOM 3 C MET A 4 20.174 30.047 15.911 1.00 23.19 C ATOM 4 O MET A 4 19.333 30.839 16.377 1.00 22.35 O ATOM 5 CB MET A 4 19.323 27.772 16.562 1.00 27.49 C ATOM 6 CG MET A 4 19.673 26.291 16.345 1.00 32.73 C ATOM 7 SD MET A 4 20.259 25.929 14.643 1.00 48.42 S ATOM 8 CE MET A 4 20.653 24.179 14.862 1.00 46.87 C ATOM 0 HA MET A 4 21.275 28.347 16.123 1.00 25.13 H new ATOM 0 HB2 MET A 4 18.824 27.855 17.390 1.00 27.49 H new ATOM 0 HB3 MET A 4 18.735 28.060 15.846 1.00 27.49 H new ATOM 0 HG2 MET A 4 20.359 26.030 16.979 1.00 32.73 H new ATOM 0 HG3 MET A 4 18.891 25.749 16.534 1.00 32.73 H new ATOM 0 HE1 MET A 4 20.588 23.723 14.008 1.00 46.87 H new ATOM 0 HE2 MET A 4 21.555 24.091 15.208 1.00 46.87 H new ATOM 0 HE3 MET A 4 20.027 23.782 15.488 1.00 46.87 H new ATOM 9 N ALA A 5 20.788 30.273 14.750 1.00 20.90 N ATOM 10 CA ALA A 5 20.594 31.541 14.053 1.00 18.41 C ATOM 11 C ALA A 5 19.171 31.741 13.656 1.00 17.94 C ATOM 12 O ALA A 5 18.501 30.771 13.249 1.00 16.33 O ATOM 13 CB ALA A 5 21.505 31.636 12.817 1.00 17.91 C ATOM 0 H ALA A 5 21.311 29.716 14.356 1.00 20.90 H new ATOM 0 HA ALA A 5 20.835 32.246 14.674 1.00 18.41 H new ATOM 0 HB1 ALA A 5 21.359 32.485 12.371 1.00 17.91 H new ATOM 0 HB2 ALA A 5 22.433 31.572 13.093 1.00 17.91 H new ATOM 0 HB3 ALA A 5 21.299 30.911 12.206 1.00 17.91 H new ATOM 14 N VAL A 6 18.705 32.996 13.732 1.00 16.91 N ATOM 15 CA VAL A 6 17.360 33.354 13.271 1.00 17.09 C ATOM 16 C VAL A 6 17.126 32.951 11.825 1.00 16.54 C ATOM 17 O VAL A 6 16.010 32.554 11.479 1.00 15.34 O ATOM 18 CB VAL A 6 17.003 34.875 13.429 1.00 18.40 C ATOM 19 CG1 VAL A 6 15.701 35.206 12.712 1.00 19.00 C ATOM 20 CG2 VAL A 6 16.809 35.214 14.887 1.00 20.93 C ATOM 0 H VAL A 6 19.157 33.655 14.049 1.00 16.91 H new ATOM 0 HA VAL A 6 16.774 32.852 13.858 1.00 17.09 H new ATOM 0 HB VAL A 6 17.735 35.385 13.047 1.00 18.40 H new ATOM 0 HG11 VAL A 6 15.501 36.149 12.823 1.00 19.00 H new ATOM 0 HG12 VAL A 6 15.791 35.004 11.768 1.00 19.00 H new ATOM 0 HG13 VAL A 6 14.981 34.677 13.088 1.00 19.00 H new ATOM 0 HG21 VAL A 6 16.589 36.155 14.974 1.00 20.93 H new ATOM 0 HG22 VAL A 6 16.087 34.678 15.251 1.00 20.93 H new ATOM 0 HG23 VAL A 6 17.627 35.027 15.374 1.00 20.93 H new ATOM 21 N TYR A 7 18.169 32.988 10.994 1.00 14.87 N ATOM 22 CA TYR A 7 17.983 32.564 9.589 1.00 14.44 C ATOM 23 C TYR A 7 17.625 31.077 9.373 1.00 13.58 C ATOM 24 O TYR A 7 17.197 30.721 8.286 1.00 12.16 O ATOM 25 CB TYR A 7 19.182 32.984 8.726 1.00 14.40 C ATOM 26 CG TYR A 7 20.454 32.161 8.857 1.00 14.46 C ATOM 27 CD1 TYR A 7 20.555 30.889 8.261 1.00 14.59 C ATOM 28 CD2 TYR A 7 21.579 32.672 9.510 1.00 11.18 C ATOM 29 CE1 TYR A 7 21.707 30.137 8.358 1.00 12.69 C ATOM 30 CE2 TYR A 7 22.766 31.918 9.590 1.00 14.05 C ATOM 31 CZ TYR A 7 22.802 30.650 9.020 1.00 13.47 C ATOM 32 OH TYR A 7 23.928 29.872 9.098 1.00 13.38 O ATOM 0 H TYR A 7 18.963 33.243 11.204 1.00 14.87 H new ATOM 0 HA TYR A 7 17.189 33.038 9.297 1.00 14.44 H new ATOM 0 HB2 TYR A 7 18.905 32.964 7.797 1.00 14.40 H new ATOM 0 HB3 TYR A 7 19.397 33.906 8.938 1.00 14.40 H new ATOM 0 HD1 TYR A 7 19.828 30.548 7.791 1.00 14.59 H new ATOM 0 HD2 TYR A 7 21.544 33.518 9.895 1.00 11.18 H new ATOM 0 HE1 TYR A 7 21.745 29.289 7.979 1.00 12.69 H new ATOM 0 HE2 TYR A 7 23.516 32.264 10.018 1.00 14.05 H new ATOM 0 HH TYR A 7 23.774 29.120 8.756 1.00 13.38 H new ATOM 33 N VAL A 8 17.807 30.224 10.395 1.00 13.39 N ATOM 34 CA VAL A 8 17.438 28.814 10.285 1.00 13.08 C ATOM 35 C VAL A 8 15.972 28.759 10.710 1.00 14.36 C ATOM 36 O VAL A 8 15.639 28.924 11.890 1.00 14.51 O ATOM 37 CB VAL A 8 18.354 27.880 11.161 1.00 14.49 C ATOM 38 CG1 VAL A 8 17.948 26.430 10.995 1.00 10.90 C ATOM 39 CG2 VAL A 8 19.847 28.139 10.826 1.00 11.44 C ATOM 0 H VAL A 8 18.142 30.447 11.155 1.00 13.39 H new ATOM 0 HA VAL A 8 17.563 28.481 9.382 1.00 13.08 H new ATOM 0 HB VAL A 8 18.234 28.090 12.100 1.00 14.49 H new ATOM 0 HG11 VAL A 8 18.521 25.869 11.540 1.00 10.90 H new ATOM 0 HG12 VAL A 8 17.026 26.318 11.274 1.00 10.90 H new ATOM 0 HG13 VAL A 8 18.037 26.174 10.064 1.00 10.90 H new ATOM 0 HG21 VAL A 8 20.406 27.561 11.369 1.00 11.44 H new ATOM 0 HG22 VAL A 8 20.005 27.953 9.887 1.00 11.44 H new ATOM 0 HG23 VAL A 8 20.065 29.066 11.012 1.00 11.44 H new ATOM 40 N LYS A 9 15.086 28.573 9.740 1.00 15.45 N ATOM 41 CA LYS A 9 13.633 28.754 9.998 1.00 17.32 C ATOM 42 C LYS A 9 12.942 27.457 10.424 1.00 17.74 C ATOM 43 O LYS A 9 11.781 27.478 10.856 1.00 18.01 O ATOM 44 CB LYS A 9 12.915 29.280 8.751 1.00 18.14 C ATOM 45 CG LYS A 9 13.499 30.566 8.152 1.00 21.60 C ATOM 46 CD LYS A 9 13.440 31.734 9.144 1.00 24.13 C ATOM 47 CE LYS A 9 14.136 32.946 8.525 1.00 27.74 C ATOM 48 NZ LYS A 9 14.211 34.115 9.456 1.00 30.33 N ATOM 0 H LYS A 9 15.286 28.346 8.935 1.00 15.45 H new ATOM 0 HA LYS A 9 13.575 29.395 10.724 1.00 17.32 H new ATOM 0 HB2 LYS A 9 12.930 28.588 8.071 1.00 18.14 H new ATOM 0 HB3 LYS A 9 11.984 29.438 8.974 1.00 18.14 H new ATOM 0 HG2 LYS A 9 14.420 30.411 7.889 1.00 21.60 H new ATOM 0 HG3 LYS A 9 13.010 30.800 7.348 1.00 21.60 H new ATOM 0 HD2 LYS A 9 12.518 31.948 9.355 1.00 24.13 H new ATOM 0 HD3 LYS A 9 13.872 31.489 9.977 1.00 24.13 H new ATOM 0 HE2 LYS A 9 15.033 32.695 8.256 1.00 27.74 H new ATOM 0 HE3 LYS A 9 13.662 33.209 7.721 1.00 27.74 H new ATOM 0 HZ1 LYS A 9 14.636 34.787 9.056 1.00 30.33 H new ATOM 0 HZ2 LYS A 9 13.388 34.373 9.675 1.00 30.33 H new ATOM 0 HZ3 LYS A 9 14.654 33.881 10.192 1.00 30.33 H new ATOM 49 N PHE A 10 13.622 26.328 10.258 1.00 16.58 N ATOM 50 CA PHE A 10 13.056 25.010 10.624 1.00 16.62 C ATOM 51 C PHE A 10 14.186 24.000 10.802 1.00 16.62 C ATOM 52 O PHE A 10 15.286 24.202 10.278 1.00 14.97 O ATOM 53 CB PHE A 10 12.021 24.530 9.575 1.00 15.94 C ATOM 54 CG PHE A 10 12.525 24.578 8.145 1.00 15.16 C ATOM 55 CD1 PHE A 10 13.249 23.506 7.594 1.00 16.85 C ATOM 56 CD2 PHE A 10 12.270 25.692 7.343 1.00 17.07 C ATOM 57 CE1 PHE A 10 13.696 23.560 6.246 1.00 16.18 C ATOM 58 CE2 PHE A 10 12.734 25.744 6.017 1.00 15.24 C ATOM 59 CZ PHE A 10 13.425 24.688 5.489 1.00 14.81 C ATOM 0 H PHE A 10 14.418 26.293 9.934 1.00 16.58 H new ATOM 0 HA PHE A 10 12.582 25.095 11.466 1.00 16.62 H new ATOM 0 HB2 PHE A 10 11.759 23.620 9.786 1.00 15.94 H new ATOM 0 HB3 PHE A 10 11.224 25.078 9.646 1.00 15.94 H new ATOM 0 HD1 PHE A 10 13.436 22.758 8.114 1.00 16.85 H new ATOM 0 HD2 PHE A 10 11.788 26.408 7.690 1.00 17.07 H new ATOM 0 HE1 PHE A 10 14.165 22.847 5.877 1.00 16.18 H new ATOM 0 HE2 PHE A 10 12.571 26.498 5.498 1.00 15.24 H new ATOM 0 HZ PHE A 10 13.718 24.728 4.607 1.00 14.81 H new ATOM 60 N LYS A 11 13.935 22.912 11.538 1.00 16.53 N ATOM 61 CA LYS A 11 15.011 21.986 11.825 1.00 17.23 C ATOM 62 C LYS A 11 14.915 20.815 10.865 1.00 17.10 C ATOM 63 O LYS A 11 13.862 20.156 10.773 1.00 17.29 O ATOM 64 CB LYS A 11 14.974 21.487 13.293 1.00 18.55 C ATOM 65 CG LYS A 11 15.277 22.540 14.375 1.00 23.57 C ATOM 66 CD LYS A 11 15.077 21.877 15.778 1.00 31.01 C ATOM 67 CE LYS A 11 15.987 22.409 16.884 1.00 36.44 C ATOM 68 NZ LYS A 11 15.777 21.594 18.150 1.00 41.36 N ATOM 0 H LYS A 11 13.169 22.703 11.868 1.00 16.53 H new ATOM 0 HA LYS A 11 15.856 22.448 11.707 1.00 17.23 H new ATOM 0 HB2 LYS A 11 14.095 21.115 13.467 1.00 18.55 H new ATOM 0 HB3 LYS A 11 15.612 20.762 13.385 1.00 18.55 H new ATOM 0 HG2 LYS A 11 16.185 22.867 14.283 1.00 23.57 H new ATOM 0 HG3 LYS A 11 14.689 23.305 14.276 1.00 23.57 H new ATOM 0 HD2 LYS A 11 14.154 22.001 16.050 1.00 31.01 H new ATOM 0 HD3 LYS A 11 15.221 20.922 15.692 1.00 31.01 H new ATOM 0 HE2 LYS A 11 16.915 22.358 16.605 1.00 36.44 H new ATOM 0 HE3 LYS A 11 15.793 23.344 17.054 1.00 36.44 H new ATOM 0 HZ1 LYS A 11 16.307 21.904 18.794 1.00 41.36 H new ATOM 0 HZ2 LYS A 11 14.928 21.659 18.408 1.00 41.36 H new ATOM 0 HZ3 LYS A 11 15.973 20.741 17.990 1.00 41.36 H new ATOM 69 N VAL A 12 16.007 20.561 10.146 1.00 15.51 N ATOM 70 CA VAL A 12 16.089 19.459 9.177 1.00 14.83 C ATOM 71 C VAL A 12 16.721 18.239 9.873 1.00 14.91 C ATOM 72 O VAL A 12 17.882 18.352 10.369 1.00 14.00 O ATOM 73 CB VAL A 12 16.966 19.883 7.967 1.00 13.24 C ATOM 74 CG1 VAL A 12 17.096 18.727 6.972 1.00 13.62 C ATOM 75 CG2 VAL A 12 16.316 21.130 7.268 1.00 12.69 C ATOM 0 H VAL A 12 16.729 21.025 10.205 1.00 15.51 H new ATOM 0 HA VAL A 12 15.201 19.236 8.856 1.00 14.83 H new ATOM 0 HB VAL A 12 17.854 20.116 8.281 1.00 13.24 H new ATOM 0 HG11 VAL A 12 17.645 19.005 6.222 1.00 13.62 H new ATOM 0 HG12 VAL A 12 17.509 17.967 7.411 1.00 13.62 H new ATOM 0 HG13 VAL A 12 16.216 18.475 6.651 1.00 13.62 H new ATOM 0 HG21 VAL A 12 16.861 21.398 6.512 1.00 12.69 H new ATOM 0 HG22 VAL A 12 15.426 20.901 6.959 1.00 12.69 H new ATOM 0 HG23 VAL A 12 16.259 21.863 7.901 1.00 12.69 H new ATOM 76 N PRO A 13 15.992 17.104 9.944 1.00 14.87 N ATOM 77 CA PRO A 13 16.570 15.857 10.490 1.00 15.52 C ATOM 78 C PRO A 13 17.937 15.535 9.863 1.00 14.94 C ATOM 79 O PRO A 13 18.126 15.738 8.676 1.00 14.38 O ATOM 80 CB PRO A 13 15.530 14.772 10.112 1.00 15.69 C ATOM 81 CG PRO A 13 14.245 15.527 10.088 1.00 14.87 C ATOM 82 CD PRO A 13 14.586 16.910 9.520 1.00 14.92 C ATOM 0 HA PRO A 13 16.732 15.919 11.444 1.00 15.52 H new ATOM 0 HB2 PRO A 13 15.727 14.372 9.251 1.00 15.69 H new ATOM 0 HB3 PRO A 13 15.511 14.052 10.762 1.00 15.69 H new ATOM 0 HG2 PRO A 13 13.587 15.077 9.536 1.00 14.87 H new ATOM 0 HG3 PRO A 13 13.867 15.600 10.978 1.00 14.87 H new ATOM 0 HD2 PRO A 13 14.495 16.935 8.555 1.00 14.92 H new ATOM 0 HD3 PRO A 13 14.004 17.599 9.878 1.00 14.92 H new ATOM 83 N GLU A 14 18.875 15.034 10.658 1.00 14.04 N ATOM 84 CA GLU A 14 20.201 14.721 10.157 1.00 15.83 C ATOM 85 C GLU A 14 20.189 13.783 8.942 1.00 15.76 C ATOM 86 O GLU A 14 21.023 13.907 8.058 1.00 14.12 O ATOM 87 CB GLU A 14 21.093 14.132 11.264 1.00 16.68 C ATOM 88 CG GLU A 14 21.647 15.191 12.228 1.00 19.47 C ATOM 89 CD GLU A 14 20.683 15.540 13.338 1.00 26.26 C ATOM 90 OE1 GLU A 14 21.042 16.408 14.189 1.00 32.07 O ATOM 91 OE2 GLU A 14 19.560 14.972 13.365 1.00 24.98 O ATOM 0 H GLU A 14 18.760 14.868 11.494 1.00 14.04 H new ATOM 0 HA GLU A 14 20.572 15.567 9.860 1.00 15.83 H new ATOM 0 HB2 GLU A 14 20.582 13.480 11.769 1.00 16.68 H new ATOM 0 HB3 GLU A 14 21.834 13.657 10.855 1.00 16.68 H new ATOM 0 HG2 GLU A 14 22.475 14.867 12.615 1.00 19.47 H new ATOM 0 HG3 GLU A 14 21.863 15.994 11.729 1.00 19.47 H new ATOM 92 N GLU A 15 19.260 12.835 8.933 1.00 16.18 N ATOM 93 CA GLU A 15 19.152 11.926 7.800 1.00 17.57 C ATOM 94 C GLU A 15 18.882 12.717 6.512 1.00 16.21 C ATOM 95 O GLU A 15 19.451 12.416 5.466 1.00 16.36 O ATOM 96 CB GLU A 15 18.001 10.962 8.066 1.00 18.98 C ATOM 97 CG GLU A 15 17.835 9.808 7.089 1.00 25.92 C ATOM 98 CD GLU A 15 17.138 8.618 7.776 1.00 35.98 C ATOM 99 OE1 GLU A 15 15.996 8.783 8.269 1.00 38.26 O ATOM 100 OE2 GLU A 15 17.745 7.528 7.861 1.00 40.79 O ATOM 0 H GLU A 15 18.690 12.702 9.563 1.00 16.18 H new ATOM 0 HA GLU A 15 19.981 11.435 7.690 1.00 17.57 H new ATOM 0 HB2 GLU A 15 18.116 10.592 8.955 1.00 18.98 H new ATOM 0 HB3 GLU A 15 17.176 11.472 8.076 1.00 18.98 H new ATOM 0 HG2 GLU A 15 17.314 10.097 6.323 1.00 25.92 H new ATOM 0 HG3 GLU A 15 18.703 9.533 6.754 1.00 25.92 H new ATOM 101 N ILE A 16 17.980 13.683 6.577 1.00 14.75 N ATOM 102 CA ILE A 16 17.645 14.491 5.380 1.00 15.46 C ATOM 103 C ILE A 16 18.798 15.452 5.033 1.00 14.57 C ATOM 104 O ILE A 16 19.061 15.732 3.845 1.00 15.20 O ATOM 105 CB ILE A 16 16.286 15.209 5.564 1.00 15.71 C ATOM 106 CG1 ILE A 16 15.172 14.164 5.730 1.00 17.61 C ATOM 107 CG2 ILE A 16 15.993 16.157 4.369 1.00 15.31 C ATOM 108 CD1 ILE A 16 13.793 14.738 6.068 1.00 23.59 C ATOM 0 H ILE A 16 17.547 13.896 7.289 1.00 14.75 H new ATOM 0 HA ILE A 16 17.540 13.901 4.617 1.00 15.46 H new ATOM 0 HB ILE A 16 16.323 15.756 6.364 1.00 15.71 H new ATOM 0 HG12 ILE A 16 15.102 13.652 4.909 1.00 17.61 H new ATOM 0 HG13 ILE A 16 15.430 13.544 6.430 1.00 17.61 H new ATOM 0 HG21 ILE A 16 15.138 16.595 4.505 1.00 15.31 H new ATOM 0 HG22 ILE A 16 16.693 16.826 4.307 1.00 15.31 H new ATOM 0 HG23 ILE A 16 15.965 15.643 3.547 1.00 15.31 H new ATOM 0 HD11 ILE A 16 13.153 14.014 6.155 1.00 23.59 H new ATOM 0 HD12 ILE A 16 13.842 15.227 6.904 1.00 23.59 H new ATOM 0 HD13 ILE A 16 13.509 15.337 5.360 1.00 23.59 H new ATOM 109 N GLN A 17 19.509 15.940 6.052 1.00 14.51 N ATOM 110 CA GLN A 17 20.742 16.714 5.786 1.00 14.87 C ATOM 111 C GLN A 17 21.752 15.912 4.976 1.00 15.79 C ATOM 112 O GLN A 17 22.444 16.450 4.093 1.00 14.51 O ATOM 113 CB GLN A 17 21.402 17.196 7.096 1.00 13.97 C ATOM 114 CG GLN A 17 20.510 18.174 7.893 1.00 11.89 C ATOM 115 CD GLN A 17 21.205 18.681 9.157 1.00 11.64 C ATOM 116 OE1 GLN A 17 22.547 18.699 9.142 1.00 18.41 O flip ATOM 117 NE2 GLN A 17 20.532 19.121 10.120 1.00 9.01 N flip ATOM 0 H GLN A 17 19.309 15.842 6.883 1.00 14.51 H new ATOM 0 HA GLN A 17 20.472 17.487 5.266 1.00 14.87 H new ATOM 0 HB2 GLN A 17 21.608 16.428 7.651 1.00 13.97 H new ATOM 0 HB3 GLN A 17 22.244 17.630 6.888 1.00 13.97 H new ATOM 0 HG2 GLN A 17 20.274 18.928 7.330 1.00 11.89 H new ATOM 0 HG3 GLN A 17 19.682 17.731 8.136 1.00 11.89 H new ATOM 0 HE21 GLN A 17 19.673 19.092 10.093 1.00 9.01 H new ATOM 0 HE22 GLN A 17 20.930 19.451 10.807 1.00 9.01 H new ATOM 118 N LYS A 18 21.861 14.618 5.290 1.00 16.00 N ATOM 119 CA LYS A 18 22.781 13.762 4.568 1.00 16.66 C ATOM 120 C LYS A 18 22.345 13.640 3.098 1.00 16.58 C ATOM 121 O LYS A 18 23.174 13.701 2.180 1.00 17.07 O ATOM 122 CB LYS A 18 22.818 12.392 5.251 1.00 17.57 C ATOM 123 CG LYS A 18 23.556 11.301 4.525 1.00 22.60 C ATOM 124 CD LYS A 18 24.860 11.757 3.845 1.00 29.69 C ATOM 125 CE LYS A 18 25.966 12.020 4.824 1.00 33.04 C ATOM 126 NZ LYS A 18 27.251 12.027 4.076 1.00 36.80 N ATOM 0 H LYS A 18 21.413 14.227 5.912 1.00 16.00 H new ATOM 0 HA LYS A 18 23.672 14.144 4.579 1.00 16.66 H new ATOM 0 HB2 LYS A 18 23.220 12.500 6.127 1.00 17.57 H new ATOM 0 HB3 LYS A 18 21.904 12.098 5.393 1.00 17.57 H new ATOM 0 HG2 LYS A 18 23.763 10.592 5.154 1.00 22.60 H new ATOM 0 HG3 LYS A 18 22.969 10.921 3.852 1.00 22.60 H new ATOM 0 HD2 LYS A 18 25.146 11.077 3.215 1.00 29.69 H new ATOM 0 HD3 LYS A 18 24.688 12.563 3.333 1.00 29.69 H new ATOM 0 HE2 LYS A 18 25.829 12.870 5.270 1.00 33.04 H new ATOM 0 HE3 LYS A 18 25.978 11.337 5.513 1.00 33.04 H new ATOM 0 HZ1 LYS A 18 27.922 12.182 4.640 1.00 36.80 H new ATOM 0 HZ2 LYS A 18 27.370 11.237 3.683 1.00 36.80 H new ATOM 0 HZ3 LYS A 18 27.231 12.666 3.457 1.00 36.80 H new ATOM 127 N GLU A 19 21.044 13.476 2.883 1.00 16.11 N ATOM 128 CA GLU A 19 20.507 13.396 1.517 1.00 16.44 C ATOM 129 C GLU A 19 20.730 14.685 0.736 1.00 16.21 C ATOM 130 O GLU A 19 20.965 14.656 -0.488 1.00 16.11 O ATOM 131 CB GLU A 19 19.047 13.026 1.534 1.00 16.56 C ATOM 132 CG GLU A 19 18.860 11.625 2.110 1.00 21.88 C ATOM 133 CD GLU A 19 17.408 11.270 2.382 1.00 28.69 C ATOM 134 OE1 GLU A 19 17.183 10.126 2.834 1.00 30.17 O ATOM 135 OE2 GLU A 19 16.519 12.127 2.197 1.00 30.06 O ATOM 0 H GLU A 19 20.455 13.409 3.506 1.00 16.11 H new ATOM 0 HA GLU A 19 20.997 12.695 1.059 1.00 16.44 H new ATOM 0 HB2 GLU A 19 18.551 13.669 2.064 1.00 16.56 H new ATOM 0 HB3 GLU A 19 18.687 13.063 0.634 1.00 16.56 H new ATOM 0 HG2 GLU A 19 19.234 10.977 1.493 1.00 21.88 H new ATOM 0 HG3 GLU A 19 19.363 11.553 2.936 1.00 21.88 H new ATOM 136 N LEU A 20 20.651 15.804 1.456 1.00 14.85 N ATOM 137 CA LEU A 20 20.933 17.125 0.877 1.00 13.90 C ATOM 138 C LEU A 20 22.367 17.231 0.412 1.00 14.19 C ATOM 139 O LEU A 20 22.601 17.641 -0.745 1.00 14.16 O ATOM 140 CB LEU A 20 20.557 18.251 1.865 1.00 13.12 C ATOM 141 CG LEU A 20 19.061 18.472 2.105 1.00 12.39 C ATOM 142 CD1 LEU A 20 18.843 19.364 3.340 1.00 13.50 C ATOM 143 CD2 LEU A 20 18.380 19.080 0.811 1.00 13.17 C ATOM 0 H LEU A 20 20.434 15.822 2.288 1.00 14.85 H new ATOM 0 HA LEU A 20 20.376 17.233 0.090 1.00 13.90 H new ATOM 0 HB2 LEU A 20 20.977 18.060 2.718 1.00 13.12 H new ATOM 0 HB3 LEU A 20 20.939 19.081 1.540 1.00 13.12 H new ATOM 0 HG LEU A 20 18.638 17.617 2.284 1.00 12.39 H new ATOM 0 HD11 LEU A 20 17.892 19.496 3.480 1.00 13.50 H new ATOM 0 HD12 LEU A 20 19.228 18.936 4.121 1.00 13.50 H new ATOM 0 HD13 LEU A 20 19.271 20.223 3.198 1.00 13.50 H new ATOM 0 HD21 LEU A 20 17.434 19.215 0.976 1.00 13.17 H new ATOM 0 HD22 LEU A 20 18.795 19.930 0.596 1.00 13.17 H new ATOM 0 HD23 LEU A 20 18.494 18.468 0.067 1.00 13.17 H new ATOM 144 N LEU A 21 23.321 16.858 1.288 1.00 13.75 N ATOM 145 CA LEU A 21 24.766 16.836 0.944 1.00 14.56 C ATOM 146 C LEU A 21 24.995 15.908 -0.240 1.00 15.20 C ATOM 147 O LEU A 21 25.733 16.238 -1.146 1.00 14.05 O ATOM 148 CB LEU A 21 25.637 16.382 2.146 1.00 14.04 C ATOM 149 CG LEU A 21 25.624 17.387 3.310 1.00 13.46 C ATOM 150 CD1 LEU A 21 26.352 16.808 4.525 1.00 16.26 C ATOM 151 CD2 LEU A 21 26.233 18.748 2.852 1.00 13.91 C ATOM 0 H LEU A 21 23.152 16.612 2.094 1.00 13.75 H new ATOM 0 HA LEU A 21 25.032 17.740 0.712 1.00 14.56 H new ATOM 0 HB2 LEU A 21 25.319 15.523 2.464 1.00 14.04 H new ATOM 0 HB3 LEU A 21 26.551 16.253 1.847 1.00 14.04 H new ATOM 0 HG LEU A 21 24.707 17.554 3.579 1.00 13.46 H new ATOM 0 HD11 LEU A 21 26.335 17.452 5.250 1.00 16.26 H new ATOM 0 HD12 LEU A 21 25.911 15.992 4.808 1.00 16.26 H new ATOM 0 HD13 LEU A 21 27.272 16.612 4.288 1.00 16.26 H new ATOM 0 HD21 LEU A 21 26.220 19.374 3.593 1.00 13.91 H new ATOM 0 HD22 LEU A 21 27.148 18.612 2.560 1.00 13.91 H new ATOM 0 HD23 LEU A 21 25.710 19.106 2.118 1.00 13.91 H new ATOM 152 N ASP A 22 24.313 14.754 -0.243 1.00 16.31 N ATOM 153 CA ASP A 22 24.443 13.790 -1.346 1.00 18.01 C ATOM 154 C ASP A 22 23.899 14.342 -2.663 1.00 17.07 C ATOM 155 O ASP A 22 24.498 14.102 -3.729 1.00 16.00 O ATOM 156 CB ASP A 22 23.709 12.470 -1.035 1.00 18.96 C ATOM 157 CG ASP A 22 24.438 11.619 -0.021 1.00 25.31 C ATOM 158 OD1 ASP A 22 23.841 10.593 0.402 1.00 29.77 O ATOM 159 OD2 ASP A 22 25.583 11.908 0.427 1.00 27.94 O ATOM 0 H ASP A 22 23.773 14.512 0.381 1.00 16.31 H new ATOM 0 HA ASP A 22 25.394 13.624 -1.439 1.00 18.01 H new ATOM 0 HB2 ASP A 22 22.820 12.670 -0.704 1.00 18.96 H new ATOM 0 HB3 ASP A 22 23.599 11.965 -1.856 1.00 18.96 H new ATOM 160 N ALA A 23 22.771 15.051 -2.592 1.00 16.22 N ATOM 161 CA ALA A 23 22.215 15.690 -3.784 1.00 15.99 C ATOM 162 C ALA A 23 23.210 16.724 -4.351 1.00 14.64 C ATOM 163 O ALA A 23 23.412 16.795 -5.562 1.00 15.33 O ATOM 164 CB ALA A 23 20.824 16.341 -3.501 1.00 16.52 C ATOM 0 H ALA A 23 22.318 15.173 -1.871 1.00 16.22 H new ATOM 0 HA ALA A 23 22.072 15.000 -4.451 1.00 15.99 H new ATOM 0 HB1 ALA A 23 20.488 16.753 -4.312 1.00 16.52 H new ATOM 0 HB2 ALA A 23 20.202 15.659 -3.204 1.00 16.52 H new ATOM 0 HB3 ALA A 23 20.917 17.016 -2.810 1.00 16.52 H new ATOM 165 N VAL A 24 23.846 17.511 -3.488 1.00 13.14 N ATOM 166 CA VAL A 24 24.883 18.472 -3.950 1.00 12.67 C ATOM 167 C VAL A 24 26.050 17.723 -4.621 1.00 13.50 C ATOM 168 O VAL A 24 26.499 18.102 -5.710 1.00 13.84 O ATOM 169 CB VAL A 24 25.411 19.299 -2.773 1.00 13.59 C ATOM 170 CG1 VAL A 24 26.651 20.147 -3.168 1.00 13.23 C ATOM 171 CG2 VAL A 24 24.277 20.230 -2.247 1.00 12.50 C ATOM 0 H VAL A 24 23.704 17.515 -2.640 1.00 13.14 H new ATOM 0 HA VAL A 24 24.475 19.068 -4.597 1.00 12.67 H new ATOM 0 HB VAL A 24 25.690 18.685 -2.076 1.00 13.59 H new ATOM 0 HG11 VAL A 24 26.955 20.654 -2.399 1.00 13.23 H new ATOM 0 HG12 VAL A 24 27.362 19.560 -3.469 1.00 13.23 H new ATOM 0 HG13 VAL A 24 26.412 20.757 -3.883 1.00 13.23 H new ATOM 0 HG21 VAL A 24 24.609 20.755 -1.502 1.00 12.50 H new ATOM 0 HG22 VAL A 24 23.990 20.824 -2.958 1.00 12.50 H new ATOM 0 HG23 VAL A 24 23.526 19.691 -1.954 1.00 12.50 H new ATOM 172 N ALA A 25 26.537 16.686 -3.948 1.00 13.73 N ATOM 173 CA ALA A 25 27.695 15.896 -4.413 1.00 15.74 C ATOM 174 C ALA A 25 27.481 15.253 -5.789 1.00 16.14 C ATOM 175 O ALA A 25 28.434 15.110 -6.564 1.00 16.19 O ATOM 176 CB ALA A 25 28.036 14.843 -3.390 1.00 15.75 C ATOM 0 H ALA A 25 26.208 16.412 -3.202 1.00 13.73 H new ATOM 0 HA ALA A 25 28.435 16.515 -4.515 1.00 15.74 H new ATOM 0 HB1 ALA A 25 28.797 14.326 -3.698 1.00 15.75 H new ATOM 0 HB2 ALA A 25 28.256 15.270 -2.547 1.00 15.75 H new ATOM 0 HB3 ALA A 25 27.275 14.254 -3.265 1.00 15.75 H new ATOM 177 N LYS A 26 26.239 14.908 -6.113 1.00 16.45 N ATOM 178 CA LYS A 26 25.953 14.310 -7.426 1.00 17.26 C ATOM 179 C LYS A 26 25.362 15.266 -8.445 1.00 16.85 C ATOM 180 O LYS A 26 25.060 14.876 -9.562 1.00 17.54 O ATOM 181 CB LYS A 26 25.066 13.076 -7.286 1.00 18.59 C ATOM 182 CG LYS A 26 23.638 13.361 -6.859 1.00 18.78 C ATOM 183 CD LYS A 26 22.791 12.094 -6.919 1.00 25.07 C ATOM 184 CE LYS A 26 23.214 11.096 -5.830 1.00 26.83 C ATOM 185 NZ LYS A 26 22.314 9.871 -5.830 1.00 26.66 N ATOM 0 H LYS A 26 25.555 15.007 -5.601 1.00 16.45 H new ATOM 0 HA LYS A 26 26.821 14.055 -7.776 1.00 17.26 H new ATOM 0 HB2 LYS A 26 25.049 12.608 -8.136 1.00 18.59 H new ATOM 0 HB3 LYS A 26 25.469 12.475 -6.640 1.00 18.59 H new ATOM 0 HG2 LYS A 26 23.631 13.717 -5.957 1.00 18.78 H new ATOM 0 HG3 LYS A 26 23.253 14.040 -7.435 1.00 18.78 H new ATOM 0 HD2 LYS A 26 21.855 12.321 -6.808 1.00 25.07 H new ATOM 0 HD3 LYS A 26 22.881 11.682 -7.793 1.00 25.07 H new ATOM 0 HE2 LYS A 26 24.134 10.825 -5.975 1.00 26.83 H new ATOM 0 HE3 LYS A 26 23.179 11.527 -4.961 1.00 26.83 H new ATOM 0 HZ1 LYS A 26 22.492 9.372 -5.115 1.00 26.66 H new ATOM 0 HZ2 LYS A 26 21.462 10.128 -5.807 1.00 26.66 H new ATOM 0 HZ3 LYS A 26 22.460 9.395 -6.568 1.00 26.66 H new ATOM 186 N ALA A 27 25.185 16.531 -8.076 1.00 16.32 N ATOM 187 CA ALA A 27 24.663 17.521 -9.005 1.00 16.41 C ATOM 188 C ALA A 27 25.620 17.749 -10.191 1.00 16.20 C ATOM 189 O ALA A 27 26.868 17.726 -10.041 1.00 17.19 O ATOM 190 CB ALA A 27 24.419 18.843 -8.250 1.00 15.78 C ATOM 0 H ALA A 27 25.362 16.834 -7.291 1.00 16.32 H new ATOM 0 HA ALA A 27 23.827 17.191 -9.370 1.00 16.41 H new ATOM 0 HB1 ALA A 27 24.071 19.507 -8.865 1.00 15.78 H new ATOM 0 HB2 ALA A 27 23.778 18.695 -7.537 1.00 15.78 H new ATOM 0 HB3 ALA A 27 25.255 19.159 -7.872 1.00 15.78 H new ATOM 191 N GLN A 28 25.026 17.966 -11.359 1.00 17.70 N ATOM 192 CA GLN A 28 25.771 18.260 -12.592 1.00 18.06 C ATOM 193 C GLN A 28 26.228 19.710 -12.649 1.00 17.40 C ATOM 194 O GLN A 28 27.302 20.009 -13.185 1.00 16.98 O ATOM 195 CB GLN A 28 24.924 17.923 -13.831 1.00 19.80 C ATOM 196 CG GLN A 28 24.718 16.404 -14.033 1.00 22.77 C ATOM 197 CD GLN A 28 26.051 15.715 -14.329 1.00 30.19 C ATOM 198 OE1 GLN A 28 26.644 15.082 -13.452 1.00 35.54 O ATOM 199 NE2 GLN A 28 26.547 15.893 -15.541 1.00 33.73 N ATOM 0 H GLN A 28 24.173 17.948 -11.465 1.00 17.70 H new ATOM 0 HA GLN A 28 26.564 17.701 -12.587 1.00 18.06 H new ATOM 0 HB2 GLN A 28 24.058 18.353 -13.750 1.00 19.80 H new ATOM 0 HB3 GLN A 28 25.352 18.293 -14.619 1.00 19.80 H new ATOM 0 HG2 GLN A 28 24.318 16.018 -13.238 1.00 22.77 H new ATOM 0 HG3 GLN A 28 24.100 16.251 -14.764 1.00 22.77 H new ATOM 0 HE21 GLN A 28 26.103 16.341 -16.126 1.00 33.73 H new ATOM 0 HE22 GLN A 28 27.314 15.561 -15.745 1.00 33.73 H new ATOM 200 N LYS A 29 25.454 20.624 -12.066 1.00 17.09 N ATOM 201 CA LYS A 29 25.827 22.046 -12.073 1.00 17.20 C ATOM 202 C LYS A 29 25.331 22.750 -10.817 1.00 15.94 C ATOM 203 O LYS A 29 24.153 22.656 -10.488 1.00 16.62 O ATOM 204 CB LYS A 29 25.297 22.783 -13.320 1.00 16.76 C ATOM 205 CG LYS A 29 25.676 24.280 -13.387 1.00 21.35 C ATOM 206 CD LYS A 29 25.097 24.982 -14.634 1.00 28.51 C ATOM 207 CE LYS A 29 25.544 26.444 -14.728 1.00 31.83 C ATOM 208 NZ LYS A 29 25.333 26.995 -16.092 1.00 35.22 N ATOM 0 H LYS A 29 24.715 20.448 -11.663 1.00 17.09 H new ATOM 0 HA LYS A 29 26.796 22.075 -12.095 1.00 17.20 H new ATOM 0 HB2 LYS A 29 25.636 22.339 -14.113 1.00 16.76 H new ATOM 0 HB3 LYS A 29 24.330 22.704 -13.342 1.00 16.76 H new ATOM 0 HG2 LYS A 29 25.354 24.728 -12.589 1.00 21.35 H new ATOM 0 HG3 LYS A 29 26.642 24.366 -13.391 1.00 21.35 H new ATOM 0 HD2 LYS A 29 25.378 24.507 -15.432 1.00 28.51 H new ATOM 0 HD3 LYS A 29 24.128 24.942 -14.606 1.00 28.51 H new ATOM 0 HE2 LYS A 29 25.051 26.976 -14.084 1.00 31.83 H new ATOM 0 HE3 LYS A 29 26.483 26.512 -14.493 1.00 31.83 H new ATOM 0 HZ1 LYS A 29 25.601 27.843 -16.115 1.00 35.22 H new ATOM 0 HZ2 LYS A 29 25.802 26.520 -16.680 1.00 35.22 H new ATOM 0 HZ3 LYS A 29 24.469 26.952 -16.299 1.00 35.22 H new ATOM 209 N ILE A 30 26.238 23.431 -10.125 1.00 15.93 N ATOM 210 CA ILE A 30 25.860 24.131 -8.875 1.00 14.74 C ATOM 211 C ILE A 30 26.473 25.542 -8.860 1.00 14.46 C ATOM 212 O ILE A 30 27.418 25.824 -9.628 1.00 13.89 O ATOM 213 CB ILE A 30 26.315 23.352 -7.624 1.00 15.11 C ATOM 214 CG1 ILE A 30 27.838 23.267 -7.549 1.00 14.39 C ATOM 215 CG2 ILE A 30 25.581 21.953 -7.535 1.00 14.82 C ATOM 216 CD1 ILE A 30 28.380 22.640 -6.272 1.00 20.29 C ATOM 0 H ILE A 30 27.065 23.506 -10.347 1.00 15.93 H new ATOM 0 HA ILE A 30 24.892 24.193 -8.852 1.00 14.74 H new ATOM 0 HB ILE A 30 26.047 23.841 -6.830 1.00 15.11 H new ATOM 0 HG12 ILE A 30 28.159 22.754 -8.307 1.00 14.39 H new ATOM 0 HG13 ILE A 30 28.204 24.161 -7.636 1.00 14.39 H new ATOM 0 HG21 ILE A 30 25.881 21.480 -6.743 1.00 14.82 H new ATOM 0 HG22 ILE A 30 24.622 22.093 -7.484 1.00 14.82 H new ATOM 0 HG23 ILE A 30 25.789 21.427 -8.323 1.00 14.82 H new ATOM 0 HD11 ILE A 30 29.349 22.624 -6.305 1.00 20.29 H new ATOM 0 HD12 ILE A 30 28.091 23.162 -5.507 1.00 20.29 H new ATOM 0 HD13 ILE A 30 28.045 21.733 -6.189 1.00 20.29 H new ATOM 217 N LYS A 31 25.932 26.398 -7.983 1.00 14.37 N ATOM 218 CA LYS A 31 26.517 27.683 -7.606 1.00 14.86 C ATOM 219 C LYS A 31 26.953 27.542 -6.151 1.00 14.92 C ATOM 220 O LYS A 31 26.282 26.876 -5.371 1.00 14.50 O ATOM 221 CB LYS A 31 25.522 28.847 -7.814 1.00 15.47 C ATOM 222 CG LYS A 31 25.079 28.970 -9.286 1.00 16.20 C ATOM 223 CD LYS A 31 26.210 29.290 -10.254 1.00 18.47 C ATOM 224 CE LYS A 31 25.656 29.595 -11.679 1.00 19.48 C ATOM 225 NZ LYS A 31 26.828 29.948 -12.551 1.00 21.36 N ATOM 0 H LYS A 31 25.189 26.237 -7.580 1.00 14.37 H new ATOM 0 HA LYS A 31 27.277 27.902 -8.168 1.00 14.86 H new ATOM 0 HB2 LYS A 31 24.743 28.710 -7.253 1.00 15.47 H new ATOM 0 HB3 LYS A 31 25.934 29.678 -7.530 1.00 15.47 H new ATOM 0 HG2 LYS A 31 24.660 28.138 -9.558 1.00 16.20 H new ATOM 0 HG3 LYS A 31 24.404 29.663 -9.353 1.00 16.20 H new ATOM 0 HD2 LYS A 31 26.713 30.053 -9.929 1.00 18.47 H new ATOM 0 HD3 LYS A 31 26.826 28.542 -10.296 1.00 18.47 H new ATOM 0 HE2 LYS A 31 25.185 28.825 -12.035 1.00 19.48 H new ATOM 0 HE3 LYS A 31 25.020 30.327 -11.649 1.00 19.48 H new ATOM 0 HZ1 LYS A 31 26.535 30.267 -13.328 1.00 21.36 H new ATOM 0 HZ2 LYS A 31 27.324 30.566 -12.146 1.00 21.36 H new ATOM 0 HZ3 LYS A 31 27.320 29.221 -12.696 1.00 21.36 H new ATOM 226 N LYS A 32 28.091 28.138 -5.798 1.00 14.12 N ATOM 227 CA LYS A 32 28.672 27.971 -4.457 1.00 14.28 C ATOM 228 C LYS A 32 28.913 29.320 -3.820 1.00 12.78 C ATOM 229 O LYS A 32 29.439 30.222 -4.468 1.00 12.98 O ATOM 230 CB LYS A 32 30.022 27.222 -4.515 1.00 14.36 C ATOM 231 CG LYS A 32 29.912 25.832 -5.131 1.00 19.35 C ATOM 232 CD LYS A 32 31.179 25.389 -5.872 1.00 22.15 C ATOM 233 CE LYS A 32 31.298 26.080 -7.224 1.00 26.26 C ATOM 234 NZ LYS A 32 32.362 25.453 -8.044 1.00 26.65 N ATOM 0 H LYS A 32 28.547 28.646 -6.320 1.00 14.12 H new ATOM 0 HA LYS A 32 28.039 27.454 -3.934 1.00 14.28 H new ATOM 0 HB2 LYS A 32 30.655 27.748 -5.029 1.00 14.36 H new ATOM 0 HB3 LYS A 32 30.381 27.144 -3.617 1.00 14.36 H new ATOM 0 HG2 LYS A 32 29.715 25.190 -4.431 1.00 19.35 H new ATOM 0 HG3 LYS A 32 29.164 25.818 -5.748 1.00 19.35 H new ATOM 0 HD2 LYS A 32 31.959 25.592 -5.333 1.00 22.15 H new ATOM 0 HD3 LYS A 32 31.163 24.427 -5.998 1.00 22.15 H new ATOM 0 HE2 LYS A 32 30.451 26.030 -7.693 1.00 26.26 H new ATOM 0 HE3 LYS A 32 31.496 27.021 -7.095 1.00 26.26 H new ATOM 0 HZ1 LYS A 32 32.116 25.453 -8.899 1.00 26.65 H new ATOM 0 HZ2 LYS A 32 33.118 25.914 -7.953 1.00 26.65 H new ATOM 0 HZ3 LYS A 32 32.492 24.615 -7.773 1.00 26.65 H new ATOM 235 N GLY A 33 28.570 29.415 -2.529 1.00 11.94 N ATOM 236 CA GLY A 33 28.765 30.621 -1.731 1.00 12.13 C ATOM 237 C GLY A 33 27.627 31.616 -1.888 1.00 11.97 C ATOM 238 O GLY A 33 26.883 31.558 -2.864 1.00 11.33 O ATOM 0 H GLY A 33 28.212 28.767 -2.091 1.00 11.94 H new ATOM 0 HA2 GLY A 33 28.849 30.376 -0.796 1.00 12.13 H new ATOM 0 HA3 GLY A 33 29.598 31.045 -1.990 1.00 12.13 H new ATOM 239 N ALA A 34 27.517 32.546 -0.949 1.00 11.86 N ATOM 240 CA ALA A 34 26.339 33.390 -0.840 1.00 12.07 C ATOM 241 C ALA A 34 26.138 34.321 -2.024 1.00 12.31 C ATOM 242 O ALA A 34 25.015 34.578 -2.445 1.00 12.32 O ATOM 243 CB ALA A 34 26.355 34.164 0.483 1.00 12.30 C ATOM 0 H ALA A 34 28.122 32.705 -0.359 1.00 11.86 H new ATOM 0 HA ALA A 34 25.574 32.794 -0.850 1.00 12.07 H new ATOM 0 HB1 ALA A 34 25.564 34.722 0.541 1.00 12.30 H new ATOM 0 HB2 ALA A 34 26.364 33.538 1.224 1.00 12.30 H new ATOM 0 HB3 ALA A 34 27.147 34.722 0.522 1.00 12.30 H new ATOM 244 N ASN A 35 27.235 34.808 -2.589 1.00 13.46 N ATOM 245 CA ASN A 35 27.117 35.751 -3.697 1.00 15.84 C ATOM 246 C ASN A 35 26.528 35.067 -4.930 1.00 14.64 C ATOM 247 O ASN A 35 25.553 35.590 -5.534 1.00 14.51 O ATOM 248 CB ASN A 35 28.494 36.372 -3.967 1.00 16.87 C ATOM 249 CG ASN A 35 28.463 37.489 -4.969 1.00 23.91 C ATOM 250 OD1 ASN A 35 28.328 37.250 -6.156 1.00 29.87 O ATOM 251 ND2 ASN A 35 28.662 38.723 -4.493 1.00 27.27 N ATOM 0 H ASN A 35 28.039 34.613 -2.355 1.00 13.46 H new ATOM 0 HA ASN A 35 26.503 36.465 -3.465 1.00 15.84 H new ATOM 0 HB2 ASN A 35 28.859 36.706 -3.133 1.00 16.87 H new ATOM 0 HB3 ASN A 35 29.096 35.680 -4.283 1.00 16.87 H new ATOM 0 HD21 ASN A 35 28.699 39.391 -5.033 1.00 27.27 H new ATOM 0 HD22 ASN A 35 28.752 38.848 -3.647 1.00 27.27 H new ATOM 252 N GLU A 36 27.108 33.921 -5.327 1.00 14.03 N ATOM 253 CA GLU A 36 26.556 33.205 -6.501 1.00 13.47 C ATOM 254 C GLU A 36 25.159 32.620 -6.275 1.00 12.22 C ATOM 255 O GLU A 36 24.303 32.640 -7.159 1.00 12.41 O ATOM 256 CB GLU A 36 27.527 32.161 -7.035 1.00 14.01 C ATOM 257 CG GLU A 36 28.796 32.772 -7.613 1.00 18.12 C ATOM 258 CD GLU A 36 28.587 33.536 -8.929 1.00 27.03 C ATOM 259 OE1 GLU A 36 29.474 34.328 -9.271 1.00 29.31 O ATOM 260 OE2 GLU A 36 27.564 33.366 -9.646 1.00 30.35 O ATOM 0 H GLU A 36 27.789 33.553 -4.953 1.00 14.03 H new ATOM 0 HA GLU A 36 26.442 33.883 -7.185 1.00 13.47 H new ATOM 0 HB2 GLU A 36 27.764 31.551 -6.319 1.00 14.01 H new ATOM 0 HB3 GLU A 36 27.085 31.636 -7.721 1.00 14.01 H new ATOM 0 HG2 GLU A 36 29.179 33.376 -6.958 1.00 18.12 H new ATOM 0 HG3 GLU A 36 29.444 32.066 -7.761 1.00 18.12 H new ATOM 261 N VAL A 37 24.930 32.096 -5.084 1.00 11.77 N ATOM 262 CA VAL A 37 23.621 31.537 -4.751 1.00 11.34 C ATOM 263 C VAL A 37 22.548 32.618 -4.808 1.00 11.77 C ATOM 264 O VAL A 37 21.485 32.402 -5.384 1.00 11.61 O ATOM 265 CB VAL A 37 23.686 30.820 -3.367 1.00 10.92 C ATOM 266 CG1 VAL A 37 22.274 30.505 -2.847 1.00 13.02 C ATOM 267 CG2 VAL A 37 24.503 29.530 -3.489 1.00 8.76 C ATOM 0 H VAL A 37 25.512 32.052 -4.453 1.00 11.77 H new ATOM 0 HA VAL A 37 23.374 30.868 -5.409 1.00 11.34 H new ATOM 0 HB VAL A 37 24.117 31.413 -2.732 1.00 10.92 H new ATOM 0 HG11 VAL A 37 22.337 30.060 -1.987 1.00 13.02 H new ATOM 0 HG12 VAL A 37 21.774 31.330 -2.748 1.00 13.02 H new ATOM 0 HG13 VAL A 37 21.819 29.925 -3.478 1.00 13.02 H new ATOM 0 HG21 VAL A 37 24.541 29.088 -2.626 1.00 8.76 H new ATOM 0 HG22 VAL A 37 24.084 28.941 -4.136 1.00 8.76 H new ATOM 0 HG23 VAL A 37 25.403 29.743 -3.782 1.00 8.76 H new ATOM 268 N THR A 38 22.832 33.793 -4.219 1.00 12.46 N ATOM 269 CA THR A 38 21.896 34.923 -4.233 1.00 12.54 C ATOM 270 C THR A 38 21.567 35.320 -5.680 1.00 13.27 C ATOM 271 O THR A 38 20.394 35.515 -6.016 1.00 12.50 O ATOM 272 CB THR A 38 22.475 36.123 -3.507 1.00 13.72 C ATOM 273 OG1 THR A 38 22.667 35.772 -2.143 1.00 14.06 O ATOM 274 CG2 THR A 38 21.466 37.300 -3.469 1.00 14.04 C ATOM 0 H THR A 38 23.568 33.952 -3.804 1.00 12.46 H new ATOM 0 HA THR A 38 21.087 34.643 -3.777 1.00 12.54 H new ATOM 0 HB THR A 38 23.291 36.376 -3.967 1.00 13.72 H new ATOM 0 HG1 THR A 38 23.384 35.343 -2.062 1.00 14.06 H new ATOM 0 HG21 THR A 38 21.862 38.051 -3.000 1.00 14.04 H new ATOM 0 HG22 THR A 38 21.244 37.566 -4.375 1.00 14.04 H new ATOM 0 HG23 THR A 38 20.660 37.020 -3.008 1.00 14.04 H new ATOM 275 N LYS A 39 22.585 35.372 -6.541 1.00 12.33 N ATOM 276 CA LYS A 39 22.319 35.707 -7.954 1.00 12.79 C ATOM 277 C LYS A 39 21.457 34.647 -8.660 1.00 12.55 C ATOM 278 O LYS A 39 20.566 34.999 -9.448 1.00 13.17 O ATOM 279 CB LYS A 39 23.617 35.902 -8.709 0.65 12.19 C ATOM 280 CG LYS A 39 24.362 37.181 -8.341 0.65 15.76 C ATOM 281 CD LYS A 39 25.805 37.077 -8.844 0.65 18.44 C ATOM 282 CE LYS A 39 26.647 38.268 -8.422 0.65 23.18 C ATOM 283 NZ LYS A 39 25.922 39.539 -8.616 0.65 24.05 N ATOM 0 H LYS A 39 23.409 35.224 -6.344 1.00 12.33 H new ATOM 0 HA LYS A 39 21.817 36.537 -7.953 1.00 12.79 H new ATOM 0 HB2 LYS A 39 24.196 35.142 -8.541 0.65 12.19 H new ATOM 0 HB3 LYS A 39 23.429 35.910 -9.661 0.65 12.19 H new ATOM 0 HG2 LYS A 39 23.923 37.950 -8.737 0.65 15.76 H new ATOM 0 HG3 LYS A 39 24.350 37.311 -7.380 0.65 15.76 H new ATOM 0 HD2 LYS A 39 26.207 36.262 -8.504 0.65 18.44 H new ATOM 0 HD3 LYS A 39 25.804 37.010 -9.812 0.65 18.44 H new ATOM 0 HE2 LYS A 39 26.896 38.175 -7.489 0.65 23.18 H new ATOM 0 HE3 LYS A 39 27.470 38.282 -8.935 0.65 23.18 H new ATOM 0 HZ1 LYS A 39 26.493 40.219 -8.558 0.65 24.05 H new ATOM 0 HZ2 LYS A 39 25.538 39.542 -9.419 0.65 24.05 H new ATOM 0 HZ3 LYS A 39 25.297 39.623 -7.988 0.65 24.05 H new ATOM 284 N ALA A 40 21.734 33.368 -8.380 1.00 12.13 N ATOM 285 CA ALA A 40 21.015 32.221 -8.962 1.00 13.37 C ATOM 286 C ALA A 40 19.558 32.222 -8.553 1.00 13.75 C ATOM 287 O ALA A 40 18.681 31.846 -9.330 1.00 14.04 O ATOM 288 CB ALA A 40 21.651 30.899 -8.519 1.00 11.54 C ATOM 0 H ALA A 40 22.358 33.136 -7.835 1.00 12.13 H new ATOM 0 HA ALA A 40 21.075 32.305 -9.926 1.00 13.37 H new ATOM 0 HB1 ALA A 40 21.164 30.158 -8.912 1.00 11.54 H new ATOM 0 HB2 ALA A 40 22.575 30.870 -8.812 1.00 11.54 H new ATOM 0 HB3 ALA A 40 21.617 30.831 -7.552 1.00 11.54 H new ATOM 289 N VAL A 41 19.289 32.597 -7.308 1.00 12.84 N ATOM 290 CA VAL A 41 17.898 32.682 -6.864 1.00 14.08 C ATOM 291 C VAL A 41 17.197 33.883 -7.511 1.00 15.01 C ATOM 292 O VAL A 41 16.031 33.764 -7.944 1.00 15.70 O ATOM 293 CB VAL A 41 17.842 32.789 -5.332 1.00 14.05 C ATOM 294 CG1 VAL A 41 18.779 33.797 -4.912 1.00 21.11 C ATOM 295 CG2 VAL A 41 16.426 33.120 -4.830 1.00 15.17 C ATOM 0 H VAL A 41 19.878 32.802 -6.716 1.00 12.84 H new ATOM 0 HA VAL A 41 17.434 31.876 -7.139 1.00 14.08 H new ATOM 0 HB VAL A 41 18.078 31.930 -4.948 1.00 14.05 H new ATOM 0 HG11 VAL A 41 18.756 33.878 -3.946 1.00 21.11 H new ATOM 0 HG12 VAL A 41 19.672 33.546 -5.194 1.00 21.11 H new ATOM 0 HG13 VAL A 41 18.541 34.648 -5.313 1.00 21.11 H new ATOM 0 HG21 VAL A 41 16.431 33.179 -3.862 1.00 15.17 H new ATOM 0 HG22 VAL A 41 16.140 33.968 -5.204 1.00 15.17 H new ATOM 0 HG23 VAL A 41 15.813 32.422 -5.108 1.00 15.17 H new ATOM 296 N GLU A 42 17.866 35.037 -7.527 1.00 14.84 N ATOM 297 CA GLU A 42 17.283 36.245 -8.135 1.00 16.36 C ATOM 298 C GLU A 42 16.925 35.943 -9.590 1.00 16.05 C ATOM 299 O GLU A 42 15.874 36.438 -10.085 1.00 16.77 O ATOM 300 CB GLU A 42 18.244 37.443 -8.095 1.00 16.94 C ATOM 301 CG GLU A 42 18.633 37.988 -6.718 1.00 20.47 C ATOM 302 CD GLU A 42 19.838 38.953 -6.723 1.00 27.06 C ATOM 303 OE1 GLU A 42 20.161 39.530 -5.650 1.00 31.36 O ATOM 304 OE2 GLU A 42 20.479 39.180 -7.777 1.00 31.74 O ATOM 0 H GLU A 42 18.652 35.145 -7.195 1.00 14.84 H new ATOM 0 HA GLU A 42 16.495 36.483 -7.622 1.00 16.36 H new ATOM 0 HB2 GLU A 42 19.058 37.190 -8.558 1.00 16.94 H new ATOM 0 HB3 GLU A 42 17.843 38.166 -8.601 1.00 16.94 H new ATOM 0 HG2 GLU A 42 17.868 38.447 -6.338 1.00 20.47 H new ATOM 0 HG3 GLU A 42 18.835 37.241 -6.133 1.00 20.47 H new ATOM 305 N ARG A 43 17.788 35.167 -10.264 1.00 16.13 N ATOM 306 CA ARG A 43 17.601 34.806 -11.687 1.00 17.38 C ATOM 307 C ARG A 43 16.542 33.718 -11.889 1.00 17.97 C ATOM 308 O ARG A 43 16.120 33.432 -13.044 1.00 17.25 O ATOM 309 CB ARG A 43 18.901 34.242 -12.284 1.00 18.63 C ATOM 310 CG ARG A 43 19.929 35.223 -12.736 1.00 24.07 C ATOM 311 CD ARG A 43 20.929 34.547 -13.703 1.00 29.04 C ATOM 312 NE ARG A 43 20.280 34.262 -14.989 1.00 35.55 N ATOM 313 CZ ARG A 43 20.755 33.473 -15.952 1.00 35.39 C ATOM 314 NH1 ARG A 43 20.047 33.313 -17.061 1.00 38.44 N ATOM 315 NH2 ARG A 43 21.921 32.846 -15.825 1.00 37.50 N ATOM 0 H ARG A 43 18.498 34.834 -9.912 1.00 16.13 H new ATOM 0 HA ARG A 43 17.325 35.628 -12.122 1.00 17.38 H new ATOM 0 HB2 ARG A 43 19.309 33.664 -11.621 1.00 18.63 H new ATOM 0 HB3 ARG A 43 18.666 33.684 -13.041 1.00 18.63 H new ATOM 0 HG2 ARG A 43 19.498 35.972 -13.178 1.00 24.07 H new ATOM 0 HG3 ARG A 43 20.403 35.581 -11.969 1.00 24.07 H new ATOM 0 HD2 ARG A 43 21.696 35.125 -13.841 1.00 29.04 H new ATOM 0 HD3 ARG A 43 21.261 33.724 -13.312 1.00 29.04 H new ATOM 0 HE ARG A 43 19.521 34.640 -15.134 1.00 35.55 H new ATOM 0 HH11 ARG A 43 19.292 33.716 -17.151 1.00 38.44 H new ATOM 0 HH12 ARG A 43 20.342 32.807 -17.690 1.00 38.44 H new ATOM 0 HH21 ARG A 43 22.387 32.945 -15.109 1.00 37.50 H new ATOM 0 HH22 ARG A 43 22.209 32.341 -16.459 1.00 37.50 H new ATOM 316 N GLY A 44 16.170 33.043 -10.807 1.00 16.60 N ATOM 317 CA GLY A 44 15.191 31.970 -10.887 1.00 16.75 C ATOM 318 C GLY A 44 15.738 30.665 -11.418 1.00 16.86 C ATOM 319 O GLY A 44 14.977 29.793 -11.869 1.00 18.24 O ATOM 0 H GLY A 44 16.474 33.192 -10.016 1.00 16.60 H new ATOM 0 HA2 GLY A 44 14.821 31.818 -10.003 1.00 16.75 H new ATOM 0 HA3 GLY A 44 14.459 32.256 -11.455 1.00 16.75 H new ATOM 320 N ILE A 45 17.056 30.492 -11.389 1.00 15.90 N ATOM 321 CA ILE A 45 17.619 29.305 -12.010 1.00 16.01 C ATOM 322 C ILE A 45 17.937 28.192 -11.018 1.00 14.65 C ATOM 323 O ILE A 45 18.220 27.058 -11.412 1.00 14.13 O ATOM 324 CB ILE A 45 18.824 29.651 -12.854 1.00 16.83 C ATOM 325 CG1 ILE A 45 19.943 30.271 -11.997 1.00 16.86 C ATOM 326 CG2 ILE A 45 18.318 30.540 -14.032 1.00 19.79 C ATOM 327 CD1 ILE A 45 21.338 30.236 -12.636 1.00 19.11 C ATOM 0 H ILE A 45 17.622 31.030 -11.028 1.00 15.90 H new ATOM 0 HA ILE A 45 16.927 28.952 -12.591 1.00 16.01 H new ATOM 0 HB ILE A 45 19.242 28.863 -13.235 1.00 16.83 H new ATOM 0 HG12 ILE A 45 19.712 31.193 -11.805 1.00 16.86 H new ATOM 0 HG13 ILE A 45 19.979 29.804 -11.147 1.00 16.86 H new ATOM 0 HG21 ILE A 45 19.067 30.784 -14.599 1.00 19.79 H new ATOM 0 HG22 ILE A 45 17.666 30.046 -14.553 1.00 19.79 H new ATOM 0 HG23 ILE A 45 17.907 31.344 -13.678 1.00 19.79 H new ATOM 0 HD11 ILE A 45 21.980 30.644 -12.034 1.00 19.11 H new ATOM 0 HD12 ILE A 45 21.594 29.316 -12.805 1.00 19.11 H new ATOM 0 HD13 ILE A 45 21.323 30.726 -13.473 1.00 19.11 H new ATOM 328 N ALA A 46 17.893 28.531 -9.734 1.00 13.27 N ATOM 329 CA ALA A 46 18.159 27.555 -8.668 1.00 12.85 C ATOM 330 C ALA A 46 16.943 26.664 -8.498 1.00 13.08 C ATOM 331 O ALA A 46 15.781 27.178 -8.417 1.00 12.90 O ATOM 332 CB ALA A 46 18.448 28.294 -7.312 1.00 13.28 C ATOM 0 H ALA A 46 17.711 29.323 -9.453 1.00 13.27 H new ATOM 0 HA ALA A 46 18.934 27.024 -8.910 1.00 12.85 H new ATOM 0 HB1 ALA A 46 18.622 27.640 -6.617 1.00 13.28 H new ATOM 0 HB2 ALA A 46 19.222 28.869 -7.415 1.00 13.28 H new ATOM 0 HB3 ALA A 46 17.678 28.830 -7.065 1.00 13.28 H new ATOM 333 N LYS A 47 17.183 25.352 -8.467 1.00 11.75 N ATOM 334 CA LYS A 47 16.123 24.355 -8.187 1.00 12.18 C ATOM 335 C LYS A 47 16.003 24.068 -6.684 1.00 12.10 C ATOM 336 O LYS A 47 14.918 23.762 -6.192 1.00 12.57 O ATOM 337 CB LYS A 47 16.344 23.041 -8.925 1.00 11.62 C ATOM 338 CG LYS A 47 16.209 23.207 -10.467 1.00 14.62 C ATOM 339 CD LYS A 47 16.361 21.837 -11.169 1.00 15.85 C ATOM 340 CE LYS A 47 16.357 22.006 -12.671 1.00 19.95 C ATOM 341 NZ LYS A 47 16.236 20.637 -13.278 1.00 22.79 N ATOM 0 H LYS A 47 17.959 25.008 -8.606 1.00 11.75 H new ATOM 0 HA LYS A 47 15.299 24.752 -8.509 1.00 12.18 H new ATOM 0 HB2 LYS A 47 17.226 22.697 -8.714 1.00 11.62 H new ATOM 0 HB3 LYS A 47 15.701 22.384 -8.614 1.00 11.62 H new ATOM 0 HG2 LYS A 47 15.346 23.594 -10.683 1.00 14.62 H new ATOM 0 HG3 LYS A 47 16.885 23.821 -10.793 1.00 14.62 H new ATOM 0 HD2 LYS A 47 17.188 21.414 -10.888 1.00 15.85 H new ATOM 0 HD3 LYS A 47 15.637 21.249 -10.903 1.00 15.85 H new ATOM 0 HE2 LYS A 47 15.618 22.569 -12.949 1.00 19.95 H new ATOM 0 HE3 LYS A 47 17.172 22.440 -12.968 1.00 19.95 H new ATOM 0 HZ1 LYS A 47 16.475 20.670 -14.135 1.00 22.79 H new ATOM 0 HZ2 LYS A 47 16.768 20.071 -12.844 1.00 22.79 H new ATOM 0 HZ3 LYS A 47 15.393 20.358 -13.216 1.00 22.79 H new ATOM 342 N LEU A 48 17.120 24.183 -5.986 1.00 11.27 N ATOM 343 CA LEU A 48 16.982 24.171 -4.546 1.00 11.47 C ATOM 344 C LEU A 48 18.252 24.622 -3.910 1.00 10.78 C ATOM 345 O LEU A 48 19.355 24.605 -4.436 1.00 11.15 O ATOM 346 CB LEU A 48 16.370 22.891 -4.104 0.65 9.60 C ATOM 347 CG LEU A 48 16.542 22.204 -2.801 0.65 12.11 C ATOM 348 CD1 LEU A 48 17.822 21.498 -2.543 0.65 5.53 C ATOM 349 CD2 LEU A 48 15.739 22.660 -1.643 0.65 9.09 C ATOM 0 H LEU A 48 17.916 24.264 -6.300 1.00 11.27 H new ATOM 0 HA LEU A 48 16.344 24.826 -4.223 1.00 11.47 H new ATOM 0 HB2 LEU A 48 15.413 23.021 -4.198 0.65 9.60 H new ATOM 0 HB3 LEU A 48 16.635 22.239 -4.772 0.65 9.60 H new ATOM 0 HG LEU A 48 16.003 21.424 -3.004 0.65 12.11 H new ATOM 0 HD11 LEU A 48 17.798 21.097 -1.660 0.65 5.53 H new ATOM 0 HD12 LEU A 48 17.949 20.805 -3.209 0.65 5.53 H new ATOM 0 HD13 LEU A 48 18.556 22.130 -2.591 0.65 5.53 H new ATOM 0 HD21 LEU A 48 15.957 22.122 -0.866 0.65 9.09 H new ATOM 0 HD22 LEU A 48 15.938 23.591 -1.457 0.65 9.09 H new ATOM 0 HD23 LEU A 48 14.795 22.566 -1.846 0.65 9.09 H new ATOM 350 N VAL A 49 18.015 25.274 -2.799 1.00 10.79 N ATOM 351 CA VAL A 49 19.112 26.007 -2.142 1.00 10.70 C ATOM 352 C VAL A 49 19.413 25.362 -0.788 1.00 10.76 C ATOM 353 O VAL A 49 18.497 25.055 -0.033 1.00 11.26 O ATOM 354 CB VAL A 49 18.765 27.504 -1.961 1.00 11.02 C ATOM 355 CG1 VAL A 49 19.748 28.221 -0.968 1.00 10.72 C ATOM 356 CG2 VAL A 49 18.746 28.210 -3.341 1.00 11.54 C ATOM 0 H VAL A 49 17.253 25.316 -2.403 1.00 10.79 H new ATOM 0 HA VAL A 49 19.898 25.958 -2.709 1.00 10.70 H new ATOM 0 HB VAL A 49 17.881 27.563 -1.566 1.00 11.02 H new ATOM 0 HG11 VAL A 49 19.498 29.154 -0.882 1.00 10.72 H new ATOM 0 HG12 VAL A 49 19.700 27.792 -0.099 1.00 10.72 H new ATOM 0 HG13 VAL A 49 20.654 28.160 -1.309 1.00 10.72 H new ATOM 0 HG21 VAL A 49 18.528 29.148 -3.222 1.00 11.54 H new ATOM 0 HG22 VAL A 49 19.619 28.132 -3.757 1.00 11.54 H new ATOM 0 HG23 VAL A 49 18.079 27.793 -3.909 1.00 11.54 H new ATOM 357 N ILE A 50 20.701 25.132 -0.515 1.00 9.97 N ATOM 358 CA ILE A 50 21.093 24.492 0.756 1.00 9.94 C ATOM 359 C ILE A 50 21.941 25.491 1.525 1.00 9.73 C ATOM 360 O ILE A 50 22.890 26.042 0.994 1.00 12.29 O ATOM 361 CB ILE A 50 21.898 23.220 0.491 1.00 10.55 C ATOM 362 CG1 ILE A 50 21.083 22.218 -0.330 0.65 9.71 C ATOM 363 CG2 ILE A 50 22.285 22.576 1.833 1.00 10.47 C ATOM 364 CD1 ILE A 50 21.217 22.369 -1.855 1.00 15.75 C ATOM 0 H ILE A 50 21.354 25.332 -1.037 1.00 9.97 H new ATOM 0 HA ILE A 50 20.305 24.243 1.264 1.00 9.94 H new ATOM 0 HB ILE A 50 22.693 23.458 -0.011 1.00 10.55 H new ATOM 0 HG12 ILE A 50 21.354 21.320 -0.082 0.65 9.71 H new ATOM 0 HG13 ILE A 50 20.147 22.308 -0.090 0.65 9.71 H new ATOM 0 HG21 ILE A 50 22.796 21.768 1.669 1.00 10.47 H new ATOM 0 HG22 ILE A 50 22.822 23.199 2.348 1.00 10.47 H new ATOM 0 HG23 ILE A 50 21.482 22.355 2.329 1.00 10.47 H new ATOM 0 HD11 ILE A 50 20.671 21.699 -2.296 1.00 15.75 H new ATOM 0 HD12 ILE A 50 20.920 23.253 -2.120 1.00 15.75 H new ATOM 0 HD13 ILE A 50 22.145 22.250 -2.112 1.00 15.75 H new ATOM 365 N ILE A 51 21.571 25.740 2.764 1.00 9.74 N ATOM 366 CA ILE A 51 22.222 26.782 3.573 1.00 8.88 C ATOM 367 C ILE A 51 22.811 26.129 4.795 1.00 8.88 C ATOM 368 O ILE A 51 22.127 25.355 5.474 1.00 8.57 O ATOM 369 CB ILE A 51 21.184 27.805 4.031 1.00 8.65 C ATOM 370 CG1 ILE A 51 20.410 28.403 2.831 1.00 9.57 C ATOM 371 CG2 ILE A 51 21.900 28.986 4.810 1.00 9.45 C ATOM 372 CD1 ILE A 51 19.123 29.264 3.236 1.00 9.77 C ATOM 0 H ILE A 51 20.940 25.319 3.169 1.00 9.74 H new ATOM 0 HA ILE A 51 22.906 27.224 3.047 1.00 8.88 H new ATOM 0 HB ILE A 51 20.557 27.346 4.611 1.00 8.65 H new ATOM 0 HG12 ILE A 51 21.013 28.964 2.319 1.00 9.57 H new ATOM 0 HG13 ILE A 51 20.131 27.680 2.248 1.00 9.57 H new ATOM 0 HG21 ILE A 51 21.237 29.632 5.098 1.00 9.45 H new ATOM 0 HG22 ILE A 51 22.362 28.630 5.585 1.00 9.45 H new ATOM 0 HG23 ILE A 51 22.540 29.419 4.224 1.00 9.45 H new ATOM 0 HD11 ILE A 51 18.695 29.603 2.434 1.00 9.77 H new ATOM 0 HD12 ILE A 51 18.499 28.704 3.724 1.00 9.77 H new ATOM 0 HD13 ILE A 51 19.394 30.008 3.796 1.00 9.77 H new ATOM 373 N ALA A 52 24.064 26.444 5.102 1.00 9.75 N ATOM 374 CA ALA A 52 24.684 25.872 6.317 1.00 9.53 C ATOM 375 C ALA A 52 24.185 26.609 7.563 1.00 9.74 C ATOM 376 O ALA A 52 23.932 27.824 7.535 1.00 10.57 O ATOM 377 CB ALA A 52 26.162 25.990 6.223 1.00 8.45 C ATOM 0 H ALA A 52 24.567 26.969 4.643 1.00 9.75 H new ATOM 0 HA ALA A 52 24.437 24.937 6.387 1.00 9.53 H new ATOM 0 HB1 ALA A 52 26.568 25.615 7.020 1.00 8.45 H new ATOM 0 HB2 ALA A 52 26.476 25.507 5.443 1.00 8.45 H new ATOM 0 HB3 ALA A 52 26.408 26.925 6.145 1.00 8.45 H new ATOM 378 N GLU A 53 24.045 25.873 8.670 1.00 11.27 N ATOM 379 CA GLU A 53 23.510 26.465 9.903 1.00 11.50 C ATOM 380 C GLU A 53 24.564 27.260 10.691 1.00 11.98 C ATOM 381 O GLU A 53 24.196 28.038 11.564 1.00 12.99 O ATOM 382 CB GLU A 53 22.982 25.349 10.814 1.00 12.74 C ATOM 383 CG GLU A 53 21.775 24.607 10.276 1.00 13.66 C ATOM 384 CD GLU A 53 21.270 23.542 11.270 1.00 17.50 C ATOM 385 OE1 GLU A 53 22.094 22.989 12.034 1.00 17.15 O ATOM 386 OE2 GLU A 53 20.065 23.233 11.247 1.00 19.84 O ATOM 0 H GLU A 53 24.251 25.040 8.729 1.00 11.27 H new ATOM 0 HA GLU A 53 22.806 27.077 9.637 1.00 11.50 H new ATOM 0 HB2 GLU A 53 23.696 24.711 10.969 1.00 12.74 H new ATOM 0 HB3 GLU A 53 22.753 25.733 11.675 1.00 12.74 H new ATOM 0 HG2 GLU A 53 21.063 25.239 10.089 1.00 13.66 H new ATOM 0 HG3 GLU A 53 22.005 24.182 9.435 1.00 13.66 H new ATOM 387 N ASP A 54 25.854 27.059 10.407 1.00 12.68 N ATOM 388 CA ASP A 54 26.933 27.639 11.243 1.00 12.52 C ATOM 389 C ASP A 54 27.715 28.764 10.543 1.00 13.43 C ATOM 390 O ASP A 54 28.919 28.946 10.770 1.00 11.91 O ATOM 391 CB ASP A 54 27.897 26.549 11.735 1.00 14.29 C ATOM 392 CG ASP A 54 28.633 25.847 10.604 1.00 14.25 C ATOM 393 OD1 ASP A 54 28.239 26.000 9.406 1.00 12.08 O ATOM 394 OD2 ASP A 54 29.622 25.101 10.818 1.00 12.24 O ATOM 0 H ASP A 54 26.132 26.593 9.740 1.00 12.68 H new ATOM 0 HA ASP A 54 26.488 28.042 12.005 1.00 12.52 H new ATOM 0 HB2 ASP A 54 28.545 26.946 12.338 1.00 14.29 H new ATOM 0 HB3 ASP A 54 27.399 25.892 12.247 1.00 14.29 H new ATOM 395 N VAL A 55 27.037 29.488 9.661 1.00 12.42 N ATOM 396 CA VAL A 55 27.683 30.588 8.950 1.00 12.89 C ATOM 397 C VAL A 55 27.872 31.792 9.906 1.00 12.81 C ATOM 398 O VAL A 55 26.920 32.236 10.554 1.00 12.28 O ATOM 399 CB VAL A 55 26.832 30.988 7.746 1.00 13.03 C ATOM 400 CG1 VAL A 55 27.385 32.208 7.009 1.00 12.31 C ATOM 401 CG2 VAL A 55 26.734 29.770 6.779 1.00 14.83 C ATOM 0 H VAL A 55 26.210 29.362 9.460 1.00 12.42 H new ATOM 0 HA VAL A 55 28.556 30.304 8.636 1.00 12.89 H new ATOM 0 HB VAL A 55 25.953 31.240 8.069 1.00 13.03 H new ATOM 0 HG11 VAL A 55 26.811 32.419 6.256 1.00 12.31 H new ATOM 0 HG12 VAL A 55 27.416 32.965 7.614 1.00 12.31 H new ATOM 0 HG13 VAL A 55 28.280 32.014 6.688 1.00 12.31 H new ATOM 0 HG21 VAL A 55 26.195 30.010 6.009 1.00 14.83 H new ATOM 0 HG22 VAL A 55 27.623 29.518 6.485 1.00 14.83 H new ATOM 0 HG23 VAL A 55 26.322 29.023 7.240 1.00 14.83 H new ATOM 402 N LYS A 56 29.105 32.289 9.960 1.00 12.88 N ATOM 403 CA LYS A 56 29.447 33.462 10.774 1.00 14.80 C ATOM 404 C LYS A 56 30.262 34.401 9.861 1.00 14.60 C ATOM 405 O LYS A 56 31.225 33.929 9.243 1.00 14.66 O ATOM 406 CB LYS A 56 30.307 33.019 11.950 1.00 15.03 C ATOM 407 CG LYS A 56 29.637 31.981 12.885 1.00 17.80 C ATOM 408 CD LYS A 56 28.456 32.624 13.634 1.00 21.98 C ATOM 409 CE LYS A 56 28.215 31.924 14.987 1.00 25.35 C ATOM 410 NZ LYS A 56 27.692 32.952 15.932 1.00 28.21 N ATOM 0 H LYS A 56 29.770 31.958 9.527 1.00 12.88 H new ATOM 0 HA LYS A 56 28.656 33.905 11.118 1.00 14.80 H new ATOM 0 HB2 LYS A 56 31.133 32.643 11.608 1.00 15.03 H new ATOM 0 HB3 LYS A 56 30.546 33.800 12.473 1.00 15.03 H new ATOM 0 HG2 LYS A 56 29.325 31.223 12.367 1.00 17.80 H new ATOM 0 HG3 LYS A 56 30.286 31.642 13.521 1.00 17.80 H new ATOM 0 HD2 LYS A 56 28.635 33.566 13.780 1.00 21.98 H new ATOM 0 HD3 LYS A 56 27.655 32.569 13.090 1.00 21.98 H new ATOM 0 HE2 LYS A 56 27.581 31.197 14.888 1.00 25.35 H new ATOM 0 HE3 LYS A 56 29.039 31.538 15.324 1.00 25.35 H new ATOM 0 HZ1 LYS A 56 27.215 32.554 16.570 1.00 28.21 H new ATOM 0 HZ2 LYS A 56 28.373 33.390 16.301 1.00 28.21 H new ATOM 0 HZ3 LYS A 56 27.175 33.526 15.490 1.00 28.21 H new ATOM 411 N PRO A 57 29.905 35.684 9.749 1.00 14.97 N ATOM 412 CA PRO A 57 28.727 36.287 10.395 1.00 14.07 C ATOM 413 C PRO A 57 27.397 35.807 9.761 1.00 13.40 C ATOM 414 O PRO A 57 27.385 35.518 8.562 1.00 12.51 O ATOM 415 CB PRO A 57 28.907 37.787 10.146 1.00 15.78 C ATOM 416 CG PRO A 57 29.896 37.924 9.013 1.00 16.56 C ATOM 417 CD PRO A 57 30.688 36.655 8.958 1.00 15.69 C ATOM 0 HA PRO A 57 28.672 36.045 11.333 1.00 14.07 H new ATOM 0 HB2 PRO A 57 28.061 38.202 9.916 1.00 15.78 H new ATOM 0 HB3 PRO A 57 29.234 38.232 10.944 1.00 15.78 H new ATOM 0 HG2 PRO A 57 29.435 38.076 8.173 1.00 16.56 H new ATOM 0 HG3 PRO A 57 30.479 38.685 9.158 1.00 16.56 H new ATOM 0 HD2 PRO A 57 30.804 36.352 8.044 1.00 15.69 H new ATOM 0 HD3 PRO A 57 31.575 36.778 9.330 1.00 15.69 H new ATOM 418 N GLU A 58 26.324 35.725 10.548 1.00 12.62 N ATOM 419 CA GLU A 58 25.044 35.229 10.056 1.00 12.91 C ATOM 420 C GLU A 58 24.536 36.059 8.839 1.00 12.76 C ATOM 421 O GLU A 58 23.823 35.548 7.959 1.00 12.13 O ATOM 422 CB GLU A 58 24.009 35.297 11.174 1.00 12.97 C ATOM 423 CG GLU A 58 24.303 34.365 12.318 1.00 13.38 C ATOM 424 CD GLU A 58 23.297 34.532 13.464 1.00 17.50 C ATOM 425 OE1 GLU A 58 22.204 35.127 13.251 1.00 18.49 O ATOM 426 OE2 GLU A 58 23.595 34.056 14.583 1.00 20.13 O ATOM 0 H GLU A 58 26.320 35.954 11.377 1.00 12.62 H new ATOM 0 HA GLU A 58 25.171 34.312 9.767 1.00 12.91 H new ATOM 0 HB2 GLU A 58 23.964 36.206 11.509 1.00 12.97 H new ATOM 0 HB3 GLU A 58 23.135 35.086 10.810 1.00 12.97 H new ATOM 0 HG2 GLU A 58 24.283 33.448 12.001 1.00 13.38 H new ATOM 0 HG3 GLU A 58 25.200 34.532 12.648 1.00 13.38 H new ATOM 427 N GLU A 59 24.929 37.330 8.790 1.00 13.39 N ATOM 428 CA GLU A 59 24.439 38.211 7.692 1.00 14.46 C ATOM 429 C GLU A 59 24.890 37.759 6.304 1.00 13.25 C ATOM 430 O GLU A 59 24.325 38.183 5.297 1.00 13.54 O ATOM 431 CB GLU A 59 24.886 39.658 7.921 1.00 15.71 C ATOM 432 CG GLU A 59 26.388 39.831 8.148 1.00 21.25 C ATOM 433 CD GLU A 59 26.833 41.301 8.113 1.00 30.15 C ATOM 434 OE1 GLU A 59 28.061 41.558 8.244 1.00 31.63 O ATOM 435 OE2 GLU A 59 25.964 42.205 7.939 1.00 33.08 O ATOM 0 H GLU A 59 25.459 37.704 9.354 1.00 13.39 H new ATOM 0 HA GLU A 59 23.471 38.150 7.716 1.00 14.46 H new ATOM 0 HB2 GLU A 59 24.623 40.191 7.154 1.00 15.71 H new ATOM 0 HB3 GLU A 59 24.412 40.013 8.689 1.00 15.71 H new ATOM 0 HG2 GLU A 59 26.627 39.446 9.006 1.00 21.25 H new ATOM 0 HG3 GLU A 59 26.872 39.335 7.469 1.00 21.25 H new ATOM 436 N VAL A 60 25.908 36.915 6.230 1.00 13.04 N ATOM 437 CA VAL A 60 26.321 36.408 4.916 1.00 13.35 C ATOM 438 C VAL A 60 25.158 35.652 4.210 1.00 12.55 C ATOM 439 O VAL A 60 25.015 35.749 2.995 1.00 11.40 O ATOM 440 CB VAL A 60 27.562 35.544 4.979 1.00 13.79 C ATOM 441 CG1 VAL A 60 28.758 36.391 5.452 1.00 12.13 C ATOM 442 CG2 VAL A 60 27.349 34.438 5.896 1.00 21.56 C ATOM 0 H VAL A 60 26.364 36.627 6.900 1.00 13.04 H new ATOM 0 HA VAL A 60 26.550 37.188 4.386 1.00 13.35 H new ATOM 0 HB VAL A 60 27.749 35.190 4.096 1.00 13.79 H new ATOM 0 HG11 VAL A 60 29.552 35.836 5.492 1.00 12.13 H new ATOM 0 HG12 VAL A 60 28.905 37.120 4.829 1.00 12.13 H new ATOM 0 HG13 VAL A 60 28.571 36.751 6.333 1.00 12.13 H new ATOM 0 HG21 VAL A 60 28.148 33.889 5.932 1.00 21.56 H new ATOM 0 HG22 VAL A 60 27.155 34.784 6.781 1.00 21.56 H new ATOM 0 HG23 VAL A 60 26.602 33.902 5.588 1.00 21.56 H new ATOM 443 N VAL A 61 24.346 34.922 4.987 1.00 11.54 N ATOM 444 CA VAL A 61 23.240 34.156 4.400 1.00 11.36 C ATOM 445 C VAL A 61 21.845 34.513 4.978 1.00 11.10 C ATOM 446 O VAL A 61 20.862 33.921 4.578 1.00 11.10 O ATOM 447 CB VAL A 61 23.475 32.612 4.511 1.00 11.97 C ATOM 448 CG1 VAL A 61 24.755 32.201 3.832 1.00 11.56 C ATOM 449 CG2 VAL A 61 23.566 32.168 5.965 1.00 11.55 C ATOM 0 H VAL A 61 24.417 34.858 5.842 1.00 11.54 H new ATOM 0 HA VAL A 61 23.235 34.416 3.465 1.00 11.36 H new ATOM 0 HB VAL A 61 22.716 32.191 4.078 1.00 11.97 H new ATOM 0 HG11 VAL A 61 24.873 31.242 3.917 1.00 11.56 H new ATOM 0 HG12 VAL A 61 24.714 32.439 2.893 1.00 11.56 H new ATOM 0 HG13 VAL A 61 25.503 32.657 4.248 1.00 11.56 H new ATOM 0 HG21 VAL A 61 23.711 31.210 6.002 1.00 11.55 H new ATOM 0 HG22 VAL A 61 24.305 32.624 6.397 1.00 11.55 H new ATOM 0 HG23 VAL A 61 22.739 32.387 6.423 1.00 11.55 H new ATOM 450 N ALA A 62 21.760 35.486 5.881 1.00 11.73 N ATOM 451 CA ALA A 62 20.479 35.737 6.599 1.00 12.44 C ATOM 452 C ALA A 62 19.299 36.075 5.669 1.00 12.00 C ATOM 453 O ALA A 62 18.134 35.793 5.980 1.00 11.95 O ATOM 454 CB ALA A 62 20.672 36.856 7.642 1.00 13.30 C ATOM 0 H ALA A 62 22.408 36.008 6.099 1.00 11.73 H new ATOM 0 HA ALA A 62 20.244 34.904 7.038 1.00 12.44 H new ATOM 0 HB1 ALA A 62 19.835 37.014 8.106 1.00 13.30 H new ATOM 0 HB2 ALA A 62 21.350 36.589 8.282 1.00 13.30 H new ATOM 0 HB3 ALA A 62 20.953 37.670 7.195 1.00 13.30 H new ATOM 455 N HIS A 63 19.607 36.658 4.526 1.00 12.17 N ATOM 456 CA HIS A 63 18.590 37.079 3.569 1.00 12.09 C ATOM 457 C HIS A 63 18.102 35.950 2.648 1.00 11.67 C ATOM 458 O HIS A 63 17.094 36.130 1.922 1.00 11.20 O ATOM 459 CB HIS A 63 19.207 38.160 2.640 1.00 12.56 C ATOM 460 CG HIS A 63 20.337 37.651 1.802 1.00 12.73 C ATOM 461 ND1 HIS A 63 21.574 37.319 2.328 1.00 16.03 N ATOM 462 CD2 HIS A 63 20.402 37.355 0.483 1.00 12.02 C ATOM 463 CE1 HIS A 63 22.342 36.834 1.369 1.00 14.66 C ATOM 464 NE2 HIS A 63 21.666 36.885 0.231 1.00 13.18 N ATOM 0 H HIS A 63 20.414 36.824 4.278 1.00 12.17 H new ATOM 0 HA HIS A 63 17.838 37.396 4.093 1.00 12.09 H new ATOM 0 HB2 HIS A 63 18.514 38.510 2.058 1.00 12.56 H new ATOM 0 HB3 HIS A 63 19.523 38.900 3.182 1.00 12.56 H new ATOM 0 HD2 HIS A 63 19.716 37.452 -0.138 1.00 12.02 H new ATOM 0 HE1 HIS A 63 23.208 36.512 1.475 1.00 14.66 H new ATOM 0 HE2 HIS A 63 21.970 36.660 -0.541 1.00 13.18 H new ATOM 465 N LEU A 64 18.787 34.798 2.644 1.00 10.76 N ATOM 466 CA LEU A 64 18.448 33.780 1.655 1.00 11.74 C ATOM 467 C LEU A 64 17.044 33.171 1.806 1.00 11.43 C ATOM 468 O LEU A 64 16.380 32.944 0.818 1.00 11.26 O ATOM 469 CB LEU A 64 19.524 32.676 1.586 1.00 11.30 C ATOM 470 CG LEU A 64 20.776 33.119 0.855 1.00 13.65 C ATOM 471 CD1 LEU A 64 21.860 32.034 0.955 1.00 13.34 C ATOM 472 CD2 LEU A 64 20.457 33.416 -0.636 1.00 13.20 C ATOM 0 H LEU A 64 19.425 34.596 3.184 1.00 10.76 H new ATOM 0 HA LEU A 64 18.429 34.258 0.811 1.00 11.74 H new ATOM 0 HB2 LEU A 64 19.760 32.404 2.487 1.00 11.30 H new ATOM 0 HB3 LEU A 64 19.154 31.897 1.142 1.00 11.30 H new ATOM 0 HG LEU A 64 21.104 33.932 1.270 1.00 13.65 H new ATOM 0 HD11 LEU A 64 22.656 32.327 0.484 1.00 13.34 H new ATOM 0 HD12 LEU A 64 22.076 31.877 1.888 1.00 13.34 H new ATOM 0 HD13 LEU A 64 21.533 31.212 0.556 1.00 13.34 H new ATOM 0 HD21 LEU A 64 21.266 33.698 -1.090 1.00 13.20 H new ATOM 0 HD22 LEU A 64 20.112 32.614 -1.059 1.00 13.20 H new ATOM 0 HD23 LEU A 64 19.793 34.121 -0.691 1.00 13.20 H new ATOM 473 N PRO A 65 16.609 32.834 3.016 1.00 11.10 N ATOM 474 CA PRO A 65 15.261 32.256 3.139 1.00 10.89 C ATOM 475 C PRO A 65 14.189 33.161 2.562 1.00 10.71 C ATOM 476 O PRO A 65 13.371 32.646 1.794 1.00 11.24 O ATOM 477 CB PRO A 65 15.091 32.062 4.659 1.00 11.65 C ATOM 478 CG PRO A 65 16.522 31.720 5.074 1.00 10.12 C ATOM 479 CD PRO A 65 17.348 32.801 4.301 1.00 10.43 C ATOM 0 HA PRO A 65 15.166 31.430 2.640 1.00 10.89 H new ATOM 0 HB2 PRO A 65 14.764 32.864 5.097 1.00 11.65 H new ATOM 0 HB3 PRO A 65 14.468 31.349 4.870 1.00 11.65 H new ATOM 0 HG2 PRO A 65 16.647 31.784 6.034 1.00 10.12 H new ATOM 0 HG3 PRO A 65 16.770 30.819 4.815 1.00 10.12 H new ATOM 0 HD2 PRO A 65 17.345 33.660 4.751 1.00 10.43 H new ATOM 0 HD3 PRO A 65 18.276 32.544 4.187 1.00 10.43 H new ATOM 480 N TYR A 66 14.188 34.448 2.917 1.00 12.31 N ATOM 481 CA TYR A 66 13.205 35.384 2.367 1.00 12.69 C ATOM 482 C TYR A 66 13.291 35.385 0.849 1.00 12.74 C ATOM 483 O TYR A 66 12.264 35.305 0.153 1.00 13.83 O ATOM 484 CB TYR A 66 13.433 36.777 2.949 1.00 13.16 C ATOM 485 CG TYR A 66 12.599 37.894 2.359 1.00 12.05 C ATOM 486 CD1 TYR A 66 11.326 38.173 2.860 1.00 12.18 C ATOM 487 CD2 TYR A 66 13.093 38.680 1.318 1.00 12.82 C ATOM 488 CE1 TYR A 66 10.573 39.196 2.352 1.00 9.83 C ATOM 489 CE2 TYR A 66 12.345 39.726 0.801 1.00 12.93 C ATOM 490 CZ TYR A 66 11.093 39.976 1.311 1.00 12.94 C ATOM 491 OH TYR A 66 10.357 41.019 0.789 1.00 14.02 O ATOM 0 H TYR A 66 14.745 34.797 3.472 1.00 12.31 H new ATOM 0 HA TYR A 66 12.310 35.104 2.614 1.00 12.69 H new ATOM 0 HB2 TYR A 66 13.262 36.740 3.903 1.00 13.16 H new ATOM 0 HB3 TYR A 66 14.369 37.004 2.837 1.00 13.16 H new ATOM 0 HD1 TYR A 66 10.984 37.654 3.552 1.00 12.18 H new ATOM 0 HD2 TYR A 66 13.935 38.500 0.966 1.00 12.82 H new ATOM 0 HE1 TYR A 66 9.726 39.372 2.694 1.00 9.83 H new ATOM 0 HE2 TYR A 66 12.687 40.254 0.116 1.00 12.93 H new ATOM 0 HH TYR A 66 10.795 41.393 0.177 1.00 14.02 H new ATOM 492 N LEU A 67 14.510 35.535 0.327 1.00 12.39 N ATOM 493 CA LEU A 67 14.704 35.587 -1.101 1.00 11.06 C ATOM 494 C LEU A 67 14.217 34.325 -1.783 1.00 10.69 C ATOM 495 O LEU A 67 13.558 34.415 -2.822 1.00 10.29 O ATOM 496 CB LEU A 67 16.182 35.825 -1.439 1.00 12.05 C ATOM 497 CG LEU A 67 16.595 35.924 -2.900 1.00 15.30 C ATOM 498 CD1 LEU A 67 15.885 37.100 -3.647 1.00 19.58 C ATOM 499 CD2 LEU A 67 18.085 36.123 -2.988 1.00 16.73 C ATOM 0 H LEU A 67 15.230 35.607 0.791 1.00 12.39 H new ATOM 0 HA LEU A 67 14.176 36.330 -1.434 1.00 11.06 H new ATOM 0 HB2 LEU A 67 16.455 36.646 -1.001 1.00 12.05 H new ATOM 0 HB3 LEU A 67 16.694 35.106 -1.037 1.00 12.05 H new ATOM 0 HG LEU A 67 16.328 35.096 -3.329 1.00 15.30 H new ATOM 0 HD11 LEU A 67 16.180 37.122 -4.571 1.00 19.58 H new ATOM 0 HD12 LEU A 67 14.924 36.969 -3.617 1.00 19.58 H new ATOM 0 HD13 LEU A 67 16.110 37.940 -3.217 1.00 19.58 H new ATOM 0 HD21 LEU A 67 18.349 36.186 -3.919 1.00 16.73 H new ATOM 0 HD22 LEU A 67 18.330 36.940 -2.527 1.00 16.73 H new ATOM 0 HD23 LEU A 67 18.537 35.371 -2.575 1.00 16.73 H new ATOM 500 N CYS A 68 14.562 33.153 -1.251 1.00 9.90 N ATOM 501 CA CYS A 68 14.050 31.929 -1.891 1.00 10.84 C ATOM 502 C CYS A 68 12.509 31.901 -1.882 1.00 10.90 C ATOM 503 O CYS A 68 11.865 31.547 -2.872 1.00 11.40 O ATOM 504 CB CYS A 68 14.582 30.666 -1.183 1.00 10.53 C ATOM 505 SG CYS A 68 16.371 30.453 -1.410 1.00 12.02 S ATOM 0 H CYS A 68 15.062 33.040 -0.560 1.00 9.90 H new ATOM 0 HA CYS A 68 14.364 31.935 -2.809 1.00 10.84 H new ATOM 0 HB2 CYS A 68 14.382 30.720 -0.235 1.00 10.53 H new ATOM 0 HB3 CYS A 68 14.119 29.886 -1.526 1.00 10.53 H new ATOM 0 HG CYS A 68 16.958 31.266 -0.751 1.00 12.02 H new ATOM 506 N GLU A 69 11.910 32.180 -0.721 1.00 11.84 N ATOM 507 CA GLU A 69 10.465 32.178 -0.634 1.00 12.37 C ATOM 508 C GLU A 69 9.882 33.165 -1.638 1.00 12.55 C ATOM 509 O GLU A 69 8.871 32.853 -2.288 1.00 13.47 O ATOM 510 CB GLU A 69 10.034 32.581 0.793 1.00 14.56 C ATOM 511 CG GLU A 69 10.439 31.543 1.827 1.00 15.31 C ATOM 512 CD GLU A 69 10.208 31.992 3.259 1.00 25.45 C ATOM 513 OE1 GLU A 69 10.321 31.100 4.148 1.00 27.71 O ATOM 514 OE2 GLU A 69 9.952 33.213 3.507 1.00 29.61 O ATOM 0 H GLU A 69 12.321 32.369 0.011 1.00 11.84 H new ATOM 0 HA GLU A 69 10.136 31.288 -0.835 1.00 12.37 H new ATOM 0 HB2 GLU A 69 10.433 33.435 1.021 1.00 14.56 H new ATOM 0 HB3 GLU A 69 9.072 32.702 0.817 1.00 14.56 H new ATOM 0 HG2 GLU A 69 9.941 30.726 1.667 1.00 15.31 H new ATOM 0 HG3 GLU A 69 11.378 31.330 1.710 1.00 15.31 H new ATOM 515 N GLU A 70 10.507 34.329 -1.790 1.00 11.56 N ATOM 516 CA GLU A 70 9.980 35.359 -2.703 1.00 12.47 C ATOM 517 C GLU A 70 10.122 34.986 -4.176 1.00 13.29 C ATOM 518 O GLU A 70 9.436 35.551 -5.072 1.00 13.31 O ATOM 519 CB GLU A 70 10.623 36.700 -2.418 1.00 13.19 C ATOM 520 CG GLU A 70 10.167 37.245 -1.071 1.00 12.51 C ATOM 521 CD GLU A 70 8.733 37.756 -1.132 1.00 15.50 C ATOM 522 OE1 GLU A 70 7.818 37.088 -0.628 1.00 20.85 O ATOM 523 OE2 GLU A 70 8.541 38.821 -1.716 1.00 14.37 O ATOM 0 H GLU A 70 11.231 34.547 -1.381 1.00 11.56 H new ATOM 0 HA GLU A 70 9.027 35.422 -2.532 1.00 12.47 H new ATOM 0 HB2 GLU A 70 11.589 36.608 -2.424 1.00 13.19 H new ATOM 0 HB3 GLU A 70 10.394 37.329 -3.120 1.00 13.19 H new ATOM 0 HG2 GLU A 70 10.235 36.549 -0.399 1.00 12.51 H new ATOM 0 HG3 GLU A 70 10.757 37.964 -0.795 1.00 12.51 H new ATOM 524 N LYS A 71 10.961 33.978 -4.428 1.00 13.82 N ATOM 525 CA LYS A 71 11.170 33.509 -5.814 1.00 13.60 C ATOM 526 C LYS A 71 10.600 32.136 -6.077 1.00 13.74 C ATOM 527 O LYS A 71 10.801 31.591 -7.158 1.00 13.43 O ATOM 528 CB LYS A 71 12.681 33.553 -6.157 1.00 13.22 C ATOM 529 CG LYS A 71 13.260 34.956 -6.291 1.00 13.99 C ATOM 530 CD LYS A 71 12.659 35.800 -7.463 1.00 16.09 C ATOM 531 CE LYS A 71 12.650 35.090 -8.826 1.00 17.05 C ATOM 532 NZ LYS A 71 12.085 35.983 -9.953 1.00 20.74 N ATOM 0 H LYS A 71 11.412 33.557 -3.829 1.00 13.82 H new ATOM 0 HA LYS A 71 10.682 34.113 -6.395 1.00 13.60 H new ATOM 0 HB2 LYS A 71 13.171 33.078 -5.468 1.00 13.22 H new ATOM 0 HB3 LYS A 71 12.826 33.075 -6.989 1.00 13.22 H new ATOM 0 HG2 LYS A 71 13.117 35.433 -5.458 1.00 13.99 H new ATOM 0 HG3 LYS A 71 14.219 34.886 -6.417 1.00 13.99 H new ATOM 0 HD2 LYS A 71 11.749 36.047 -7.234 1.00 16.09 H new ATOM 0 HD3 LYS A 71 13.164 36.624 -7.544 1.00 16.09 H new ATOM 0 HE2 LYS A 71 13.554 34.820 -9.053 1.00 17.05 H new ATOM 0 HE3 LYS A 71 12.120 34.280 -8.762 1.00 17.05 H new ATOM 0 HZ1 LYS A 71 11.840 35.474 -10.641 1.00 20.74 H new ATOM 0 HZ2 LYS A 71 11.379 36.432 -9.650 1.00 20.74 H new ATOM 0 HZ3 LYS A 71 12.710 36.558 -10.218 1.00 20.74 H new ATOM 533 N GLY A 72 9.903 31.573 -5.086 1.00 13.46 N ATOM 534 CA GLY A 72 9.282 30.250 -5.163 1.00 13.66 C ATOM 535 C GLY A 72 10.282 29.097 -5.258 1.00 14.89 C ATOM 536 O GLY A 72 10.034 28.081 -5.937 1.00 14.33 O ATOM 0 H GLY A 72 9.776 31.963 -4.330 1.00 13.46 H new ATOM 0 HA2 GLY A 72 8.725 30.119 -4.380 1.00 13.66 H new ATOM 0 HA3 GLY A 72 8.696 30.222 -5.936 1.00 13.66 H new ATOM 537 N ILE A 73 11.435 29.281 -4.639 1.00 13.20 N ATOM 538 CA ILE A 73 12.512 28.307 -4.723 1.00 13.05 C ATOM 539 C ILE A 73 12.660 27.601 -3.378 1.00 12.97 C ATOM 540 O ILE A 73 12.781 28.260 -2.335 1.00 12.39 O ATOM 541 CB ILE A 73 13.842 28.972 -5.191 1.00 13.06 C ATOM 542 CG1 ILE A 73 13.704 29.423 -6.669 1.00 13.67 C ATOM 543 CG2 ILE A 73 15.052 28.015 -4.930 1.00 12.46 C ATOM 544 CD1 ILE A 73 14.725 30.449 -7.111 1.00 15.05 C ATOM 0 H ILE A 73 11.617 29.971 -4.159 1.00 13.20 H new ATOM 0 HA ILE A 73 12.292 27.642 -5.394 1.00 13.05 H new ATOM 0 HB ILE A 73 14.022 29.771 -4.672 1.00 13.06 H new ATOM 0 HG12 ILE A 73 13.777 28.643 -7.241 1.00 13.67 H new ATOM 0 HG13 ILE A 73 12.816 29.790 -6.802 1.00 13.67 H new ATOM 0 HG21 ILE A 73 15.872 28.441 -5.226 1.00 12.46 H new ATOM 0 HG22 ILE A 73 15.113 27.821 -3.982 1.00 12.46 H new ATOM 0 HG23 ILE A 73 14.923 27.188 -5.421 1.00 12.46 H new ATOM 0 HD11 ILE A 73 14.572 30.678 -8.041 1.00 15.05 H new ATOM 0 HD12 ILE A 73 14.641 31.246 -6.565 1.00 15.05 H new ATOM 0 HD13 ILE A 73 15.617 30.082 -7.011 1.00 15.05 H new ATOM 545 N PRO A 74 12.622 26.261 -3.387 1.00 13.52 N ATOM 546 CA PRO A 74 12.742 25.532 -2.136 1.00 12.98 C ATOM 547 C PRO A 74 14.152 25.636 -1.539 1.00 12.26 C ATOM 548 O PRO A 74 15.164 25.715 -2.270 1.00 12.57 O ATOM 549 CB PRO A 74 12.430 24.081 -2.514 1.00 14.74 C ATOM 550 CG PRO A 74 12.678 23.937 -3.929 1.00 16.66 C ATOM 551 CD PRO A 74 12.439 25.354 -4.539 1.00 14.50 C ATOM 0 HA PRO A 74 12.146 25.888 -1.459 1.00 12.98 H new ATOM 0 HB2 PRO A 74 12.986 23.469 -2.006 1.00 14.74 H new ATOM 0 HB3 PRO A 74 11.508 23.865 -2.306 1.00 14.74 H new ATOM 0 HG2 PRO A 74 13.584 23.633 -4.096 1.00 16.66 H new ATOM 0 HG3 PRO A 74 12.082 23.282 -4.323 1.00 16.66 H new ATOM 0 HD2 PRO A 74 13.070 25.548 -5.250 1.00 14.50 H new ATOM 0 HD3 PRO A 74 11.550 25.434 -4.919 1.00 14.50 H new ATOM 552 N TYR A 75 14.205 25.633 -0.209 1.00 10.86 N ATOM 553 CA TYR A 75 15.506 25.678 0.475 1.00 10.77 C ATOM 554 C TYR A 75 15.428 24.862 1.776 1.00 10.45 C ATOM 555 O TYR A 75 14.350 24.589 2.299 1.00 12.97 O ATOM 556 CB TYR A 75 15.916 27.141 0.752 1.00 9.07 C ATOM 557 CG TYR A 75 14.994 27.797 1.766 1.00 11.86 C ATOM 558 CD1 TYR A 75 15.343 27.858 3.112 1.00 11.55 C ATOM 559 CD2 TYR A 75 13.739 28.288 1.377 1.00 12.52 C ATOM 560 CE1 TYR A 75 14.475 28.430 4.062 1.00 14.16 C ATOM 561 CE2 TYR A 75 12.852 28.868 2.323 1.00 14.52 C ATOM 562 CZ TYR A 75 13.242 28.936 3.664 1.00 15.25 C ATOM 563 OH TYR A 75 12.405 29.483 4.624 1.00 15.41 O ATOM 0 H TYR A 75 13.519 25.606 0.310 1.00 10.86 H new ATOM 0 HA TYR A 75 16.187 25.286 -0.094 1.00 10.77 H new ATOM 0 HB2 TYR A 75 16.829 27.166 1.080 1.00 9.07 H new ATOM 0 HB3 TYR A 75 15.898 27.645 -0.076 1.00 9.07 H new ATOM 0 HD1 TYR A 75 16.162 27.516 3.388 1.00 11.55 H new ATOM 0 HD2 TYR A 75 13.483 28.233 0.485 1.00 12.52 H new ATOM 0 HE1 TYR A 75 14.726 28.469 4.956 1.00 14.16 H new ATOM 0 HE2 TYR A 75 12.025 29.197 2.055 1.00 14.52 H new ATOM 0 HH TYR A 75 11.825 29.962 4.250 1.00 15.41 H new ATOM 564 N ALA A 76 16.582 24.439 2.243 1.00 10.22 N ATOM 565 CA ALA A 76 16.722 23.709 3.491 1.00 11.09 C ATOM 566 C ALA A 76 18.151 23.945 4.007 1.00 11.18 C ATOM 567 O ALA A 76 18.927 24.770 3.452 1.00 11.92 O ATOM 568 CB ALA A 76 16.471 22.244 3.238 1.00 11.45 C ATOM 0 H ALA A 76 17.328 24.569 1.836 1.00 10.22 H new ATOM 0 HA ALA A 76 16.082 24.012 4.154 1.00 11.09 H new ATOM 0 HB1 ALA A 76 16.563 21.752 4.069 1.00 11.45 H new ATOM 0 HB2 ALA A 76 15.574 22.125 2.890 1.00 11.45 H new ATOM 0 HB3 ALA A 76 17.115 21.912 2.593 1.00 11.45 H new ATOM 569 N TYR A 77 18.509 23.197 5.047 1.00 11.11 N ATOM 570 CA TYR A 77 19.717 23.438 5.830 1.00 11.60 C ATOM 571 C TYR A 77 20.550 22.174 6.065 1.00 11.44 C ATOM 572 O TYR A 77 20.018 21.058 6.073 1.00 11.38 O ATOM 573 CB TYR A 77 19.317 23.947 7.221 1.00 12.21 C ATOM 574 CG TYR A 77 18.506 25.232 7.150 1.00 11.91 C ATOM 575 CD1 TYR A 77 19.132 26.473 7.040 1.00 12.30 C ATOM 576 CD2 TYR A 77 17.124 25.174 7.180 1.00 13.22 C ATOM 577 CE1 TYR A 77 18.392 27.654 6.955 1.00 12.43 C ATOM 578 CE2 TYR A 77 16.348 26.326 7.092 1.00 13.65 C ATOM 579 CZ TYR A 77 17.006 27.573 6.994 1.00 14.16 C ATOM 580 OH TYR A 77 16.241 28.692 6.925 1.00 13.92 O ATOM 0 H TYR A 77 18.049 22.524 5.322 1.00 11.11 H new ATOM 0 HA TYR A 77 20.244 24.075 5.323 1.00 11.60 H new ATOM 0 HB2 TYR A 77 18.800 23.265 7.677 1.00 12.21 H new ATOM 0 HB3 TYR A 77 20.116 24.099 7.750 1.00 12.21 H new ATOM 0 HD1 TYR A 77 20.061 26.515 7.023 1.00 12.30 H new ATOM 0 HD2 TYR A 77 16.705 24.348 7.261 1.00 13.22 H new ATOM 0 HE1 TYR A 77 18.818 28.477 6.874 1.00 12.43 H new ATOM 0 HE2 TYR A 77 15.419 26.276 7.098 1.00 13.65 H new ATOM 0 HH TYR A 77 16.653 29.335 7.275 1.00 13.92 H new ATOM 581 N VAL A 78 21.862 22.355 6.227 1.00 12.57 N ATOM 582 CA VAL A 78 22.715 21.288 6.740 1.00 12.25 C ATOM 583 C VAL A 78 23.500 21.950 7.883 1.00 12.47 C ATOM 584 O VAL A 78 23.734 23.191 7.879 1.00 12.17 O ATOM 585 CB VAL A 78 23.693 20.724 5.658 1.00 12.27 C ATOM 586 CG1 VAL A 78 22.925 19.960 4.554 1.00 12.03 C ATOM 587 CG2 VAL A 78 24.525 21.867 5.017 1.00 16.00 C ATOM 0 H VAL A 78 22.275 23.087 6.045 1.00 12.57 H new ATOM 0 HA VAL A 78 22.189 20.524 7.025 1.00 12.25 H new ATOM 0 HB VAL A 78 24.293 20.106 6.104 1.00 12.27 H new ATOM 0 HG11 VAL A 78 23.554 19.621 3.897 1.00 12.03 H new ATOM 0 HG12 VAL A 78 22.441 19.218 4.950 1.00 12.03 H new ATOM 0 HG13 VAL A 78 22.298 20.560 4.121 1.00 12.03 H new ATOM 0 HG21 VAL A 78 25.124 21.497 4.350 1.00 16.00 H new ATOM 0 HG22 VAL A 78 23.928 22.505 4.596 1.00 16.00 H new ATOM 0 HG23 VAL A 78 25.044 22.314 5.704 1.00 16.00 H new ATOM 588 N ALA A 79 23.986 21.132 8.808 1.00 11.90 N ATOM 589 CA ALA A 79 24.607 21.690 10.014 1.00 12.02 C ATOM 590 C ALA A 79 25.917 22.432 9.765 1.00 12.63 C ATOM 591 O ALA A 79 26.198 23.413 10.466 1.00 12.47 O ATOM 592 CB ALA A 79 24.787 20.563 11.078 1.00 14.10 C ATOM 0 H ALA A 79 23.970 20.273 8.765 1.00 11.90 H new ATOM 0 HA ALA A 79 24.001 22.369 10.348 1.00 12.02 H new ATOM 0 HB1 ALA A 79 25.198 20.933 11.875 1.00 14.10 H new ATOM 0 HB2 ALA A 79 23.921 20.190 11.304 1.00 14.10 H new ATOM 0 HB3 ALA A 79 25.355 19.864 10.717 1.00 14.10 H new ATOM 593 N SER A 80 26.703 22.000 8.768 1.00 12.32 N ATOM 594 CA SER A 80 28.116 22.396 8.664 1.00 13.25 C ATOM 595 C SER A 80 28.534 22.976 7.291 1.00 12.90 C ATOM 596 O SER A 80 28.473 22.279 6.268 1.00 13.03 O ATOM 597 CB SER A 80 29.014 21.185 9.000 1.00 14.04 C ATOM 598 OG SER A 80 30.343 21.348 8.520 1.00 14.21 O ATOM 0 H SER A 80 26.436 21.476 8.141 1.00 12.32 H new ATOM 0 HA SER A 80 28.232 23.118 9.301 1.00 13.25 H new ATOM 0 HB2 SER A 80 29.033 21.056 9.961 1.00 14.04 H new ATOM 0 HB3 SER A 80 28.629 20.383 8.614 1.00 14.04 H new ATOM 0 HG SER A 80 30.679 22.041 8.855 1.00 14.21 H new ATOM 599 N LYS A 81 28.994 24.226 7.296 1.00 12.05 N ATOM 600 CA LYS A 81 29.521 24.846 6.093 1.00 13.30 C ATOM 601 C LYS A 81 30.741 24.073 5.553 1.00 13.91 C ATOM 602 O LYS A 81 30.980 24.058 4.346 1.00 12.43 O ATOM 603 CB LYS A 81 29.863 26.324 6.344 1.00 13.11 C ATOM 604 CG LYS A 81 30.899 26.522 7.450 1.00 13.00 C ATOM 605 CD LYS A 81 31.052 27.995 7.864 1.00 15.95 C ATOM 606 CE LYS A 81 31.916 28.150 9.121 1.00 20.14 C ATOM 607 NZ LYS A 81 31.487 29.309 9.998 1.00 26.12 N ATOM 0 H LYS A 81 29.008 24.731 7.992 1.00 12.05 H new ATOM 0 HA LYS A 81 28.831 24.811 5.413 1.00 13.30 H new ATOM 0 HB2 LYS A 81 30.196 26.717 5.522 1.00 13.11 H new ATOM 0 HB3 LYS A 81 29.052 26.802 6.579 1.00 13.11 H new ATOM 0 HG2 LYS A 81 30.644 25.997 8.225 1.00 13.00 H new ATOM 0 HG3 LYS A 81 31.757 26.184 7.149 1.00 13.00 H new ATOM 0 HD2 LYS A 81 31.450 28.496 7.135 1.00 15.95 H new ATOM 0 HD3 LYS A 81 30.175 28.378 8.025 1.00 15.95 H new ATOM 0 HE2 LYS A 81 31.877 27.329 9.637 1.00 20.14 H new ATOM 0 HE3 LYS A 81 32.841 28.276 8.858 1.00 20.14 H new ATOM 0 HZ1 LYS A 81 32.099 29.446 10.630 1.00 26.12 H new ATOM 0 HZ2 LYS A 81 31.405 30.043 9.501 1.00 26.12 H new ATOM 0 HZ3 LYS A 81 30.705 29.120 10.379 1.00 26.12 H new ATOM 608 N GLN A 82 31.499 23.422 6.447 1.00 14.87 N ATOM 609 CA GLN A 82 32.632 22.627 5.987 1.00 15.64 C ATOM 610 C GLN A 82 32.155 21.423 5.209 1.00 14.94 C ATOM 611 O GLN A 82 32.645 21.175 4.112 1.00 15.15 O ATOM 612 CB GLN A 82 33.532 22.216 7.177 1.00 16.23 C ATOM 613 CG GLN A 82 34.301 23.404 7.699 1.00 23.66 C ATOM 614 CD GLN A 82 35.547 23.778 6.869 1.00 30.50 C ATOM 615 OE1 GLN A 82 35.948 22.915 5.937 1.00 36.21 O flip ATOM 616 NE2 GLN A 82 36.145 24.843 7.104 1.00 31.22 N flip ATOM 0 H GLN A 82 31.375 23.430 7.298 1.00 14.87 H new ATOM 0 HA GLN A 82 33.169 23.170 5.389 1.00 15.64 H new ATOM 0 HB2 GLN A 82 32.987 21.841 7.886 1.00 16.23 H new ATOM 0 HB3 GLN A 82 34.150 21.523 6.897 1.00 16.23 H new ATOM 0 HG2 GLN A 82 33.707 24.170 7.732 1.00 23.66 H new ATOM 0 HG3 GLN A 82 34.577 23.220 8.611 1.00 23.66 H new ATOM 0 HE21 GLN A 82 35.854 25.374 7.715 1.00 31.22 H new ATOM 0 HE22 GLN A 82 36.850 25.048 6.656 1.00 31.22 H new ATOM 617 N ASP A 83 31.159 20.712 5.737 1.00 14.23 N ATOM 618 CA ASP A 83 30.567 19.577 5.035 1.00 14.23 C ATOM 619 C ASP A 83 29.969 20.018 3.690 1.00 14.61 C ATOM 620 O ASP A 83 30.093 19.315 2.667 1.00 13.77 O ATOM 621 CB ASP A 83 29.422 18.971 5.871 1.00 14.11 C ATOM 622 CG ASP A 83 29.883 18.185 7.097 1.00 16.71 C ATOM 623 OD1 ASP A 83 31.096 17.904 7.279 1.00 17.53 O ATOM 624 OD2 ASP A 83 29.039 17.801 7.936 1.00 16.77 O ATOM 0 H ASP A 83 30.811 20.873 6.507 1.00 14.23 H new ATOM 0 HA ASP A 83 31.271 18.926 4.892 1.00 14.23 H new ATOM 0 HB2 ASP A 83 28.835 19.686 6.161 1.00 14.11 H new ATOM 0 HB3 ASP A 83 28.897 18.385 5.304 1.00 14.11 H new ATOM 625 N LEU A 84 29.257 21.153 3.713 1.00 13.36 N ATOM 626 CA LEU A 84 28.632 21.667 2.492 1.00 12.91 C ATOM 627 C LEU A 84 29.700 22.018 1.437 1.00 13.06 C ATOM 628 O LEU A 84 29.530 21.706 0.252 1.00 12.30 O ATOM 629 CB LEU A 84 27.699 22.866 2.809 1.00 12.36 C ATOM 630 CG LEU A 84 26.829 23.401 1.664 1.00 11.27 C ATOM 631 CD1 LEU A 84 25.982 22.277 0.995 1.00 11.51 C ATOM 632 CD2 LEU A 84 25.906 24.590 2.153 1.00 10.95 C ATOM 0 H LEU A 84 29.127 21.632 4.415 1.00 13.36 H new ATOM 0 HA LEU A 84 28.075 20.969 2.112 1.00 12.91 H new ATOM 0 HB2 LEU A 84 27.112 22.606 3.536 1.00 12.36 H new ATOM 0 HB3 LEU A 84 28.248 23.596 3.135 1.00 12.36 H new ATOM 0 HG LEU A 84 27.434 23.745 0.988 1.00 11.27 H new ATOM 0 HD11 LEU A 84 25.449 22.656 0.279 1.00 11.51 H new ATOM 0 HD12 LEU A 84 26.573 21.598 0.633 1.00 11.51 H new ATOM 0 HD13 LEU A 84 25.397 21.876 1.656 1.00 11.51 H new ATOM 0 HD21 LEU A 84 25.368 24.908 1.411 1.00 10.95 H new ATOM 0 HD22 LEU A 84 25.324 24.277 2.863 1.00 10.95 H new ATOM 0 HD23 LEU A 84 26.459 25.314 2.485 1.00 10.95 H new ATOM 633 N GLY A 85 30.796 22.668 1.842 1.00 13.58 N ATOM 634 CA GLY A 85 31.845 22.955 0.871 1.00 14.47 C ATOM 635 C GLY A 85 32.473 21.668 0.300 1.00 15.11 C ATOM 636 O GLY A 85 32.765 21.584 -0.906 1.00 15.31 O ATOM 0 H GLY A 85 30.945 22.941 2.644 1.00 13.58 H new ATOM 0 HA2 GLY A 85 31.477 23.483 0.146 1.00 14.47 H new ATOM 0 HA3 GLY A 85 32.535 23.492 1.291 1.00 14.47 H new ATOM 637 N LYS A 86 32.715 20.676 1.165 1.00 15.63 N ATOM 638 CA LYS A 86 33.260 19.379 0.715 1.00 16.63 C ATOM 639 C LYS A 86 32.313 18.662 -0.274 1.00 16.72 C ATOM 640 O LYS A 86 32.731 18.163 -1.340 1.00 17.47 O ATOM 641 CB LYS A 86 33.569 18.467 1.903 1.00 18.05 C ATOM 642 CG LYS A 86 33.618 16.992 1.469 1.00 24.37 C ATOM 643 CD LYS A 86 34.130 16.048 2.550 1.00 32.28 C ATOM 644 CE LYS A 86 34.433 14.676 1.914 1.00 34.00 C ATOM 645 NZ LYS A 86 35.660 14.700 1.041 1.00 38.33 N ATOM 0 H LYS A 86 32.573 20.729 2.012 1.00 15.63 H new ATOM 0 HA LYS A 86 34.087 19.572 0.246 1.00 16.63 H new ATOM 0 HB2 LYS A 86 34.419 18.720 2.297 1.00 18.05 H new ATOM 0 HB3 LYS A 86 32.893 18.583 2.589 1.00 18.05 H new ATOM 0 HG2 LYS A 86 32.728 16.713 1.203 1.00 24.37 H new ATOM 0 HG3 LYS A 86 34.186 16.913 0.687 1.00 24.37 H new ATOM 0 HD2 LYS A 86 34.930 16.411 2.961 1.00 32.28 H new ATOM 0 HD3 LYS A 86 33.468 15.953 3.253 1.00 32.28 H new ATOM 0 HE2 LYS A 86 34.553 14.017 2.616 1.00 34.00 H new ATOM 0 HE3 LYS A 86 33.670 14.393 1.386 1.00 34.00 H new ATOM 0 HZ1 LYS A 86 35.531 14.176 0.333 1.00 38.33 H new ATOM 0 HZ2 LYS A 86 35.815 15.533 0.769 1.00 38.33 H new ATOM 0 HZ3 LYS A 86 36.360 14.405 1.504 1.00 38.33 H new ATOM 646 N ALA A 87 31.019 18.662 0.040 1.00 16.10 N ATOM 647 CA ALA A 87 30.032 18.142 -0.911 1.00 14.76 C ATOM 648 C ALA A 87 30.034 18.870 -2.252 1.00 15.14 C ATOM 649 O ALA A 87 29.794 18.246 -3.285 1.00 14.83 O ATOM 650 CB ALA A 87 28.655 18.152 -0.308 1.00 15.18 C ATOM 0 H ALA A 87 30.695 18.952 0.782 1.00 16.10 H new ATOM 0 HA ALA A 87 30.295 17.227 -1.098 1.00 14.76 H new ATOM 0 HB1 ALA A 87 28.017 17.805 -0.951 1.00 15.18 H new ATOM 0 HB2 ALA A 87 28.646 17.597 0.487 1.00 15.18 H new ATOM 0 HB3 ALA A 87 28.412 19.061 -0.070 1.00 15.18 H new ATOM 651 N ALA A 88 30.292 20.181 -2.230 1.00 13.89 N ATOM 652 CA ALA A 88 30.332 21.011 -3.436 1.00 15.27 C ATOM 653 C ALA A 88 31.667 20.892 -4.184 1.00 16.34 C ATOM 654 O ALA A 88 31.904 21.617 -5.165 1.00 16.35 O ATOM 655 CB ALA A 88 30.074 22.469 -3.088 1.00 14.26 C ATOM 0 H ALA A 88 30.450 20.617 -1.506 1.00 13.89 H new ATOM 0 HA ALA A 88 29.633 20.684 -4.023 1.00 15.27 H new ATOM 0 HB1 ALA A 88 30.104 23.005 -3.896 1.00 14.26 H new ATOM 0 HB2 ALA A 88 29.200 22.554 -2.676 1.00 14.26 H new ATOM 0 HB3 ALA A 88 30.754 22.779 -2.469 1.00 14.26 H new ATOM 656 N GLY A 89 32.515 19.999 -3.709 1.00 18.16 N ATOM 657 CA GLY A 89 33.748 19.663 -4.386 1.00 20.26 C ATOM 658 C GLY A 89 34.834 20.650 -4.068 1.00 21.91 C ATOM 659 O GLY A 89 35.832 20.680 -4.775 1.00 22.41 O ATOM 0 H GLY A 89 32.389 19.567 -2.976 1.00 18.16 H new ATOM 0 HA2 GLY A 89 34.031 18.773 -4.124 1.00 20.26 H new ATOM 0 HA3 GLY A 89 33.598 19.642 -5.344 1.00 20.26 H new ATOM 660 N LEU A 90 34.668 21.429 -2.995 1.00 21.50 N ATOM 661 CA LEU A 90 35.654 22.421 -2.604 1.00 22.52 C ATOM 662 C LEU A 90 36.618 21.905 -1.541 1.00 22.92 C ATOM 663 O LEU A 90 36.338 20.919 -0.842 1.00 22.31 O ATOM 664 CB LEU A 90 34.979 23.737 -2.102 1.00 22.12 C ATOM 665 CG LEU A 90 33.906 24.356 -3.016 1.00 22.71 C ATOM 666 CD1 LEU A 90 33.427 25.712 -2.466 1.00 21.43 C ATOM 667 CD2 LEU A 90 34.385 24.447 -4.491 1.00 23.50 C ATOM 0 H LEU A 90 33.981 21.392 -2.479 1.00 21.50 H new ATOM 0 HA LEU A 90 36.166 22.612 -3.405 1.00 22.52 H new ATOM 0 HB2 LEU A 90 34.575 23.560 -1.238 1.00 22.12 H new ATOM 0 HB3 LEU A 90 35.674 24.399 -1.960 1.00 22.12 H new ATOM 0 HG LEU A 90 33.139 23.762 -3.018 1.00 22.71 H new ATOM 0 HD11 LEU A 90 32.753 26.081 -3.058 1.00 21.43 H new ATOM 0 HD12 LEU A 90 33.048 25.587 -1.582 1.00 21.43 H new ATOM 0 HD13 LEU A 90 34.178 26.323 -2.411 1.00 21.43 H new ATOM 0 HD21 LEU A 90 33.685 24.841 -5.035 1.00 23.50 H new ATOM 0 HD22 LEU A 90 35.181 24.999 -4.539 1.00 23.50 H new ATOM 0 HD23 LEU A 90 34.589 23.558 -4.821 1.00 23.50 H new ATOM 668 N GLU A 91 37.740 22.608 -1.425 1.00 23.35 N ATOM 669 CA GLU A 91 38.704 22.431 -0.323 1.00 24.70 C ATOM 670 C GLU A 91 38.416 23.346 0.868 1.00 24.03 C ATOM 671 O GLU A 91 39.041 23.222 1.947 1.00 25.43 O ATOM 672 CB GLU A 91 40.126 22.677 -0.851 1.00 25.50 C ATOM 673 CG GLU A 91 40.511 21.718 -1.970 1.00 30.67 C ATOM 674 CD GLU A 91 40.187 20.258 -1.653 1.00 39.18 C ATOM 675 OE1 GLU A 91 40.558 19.779 -0.555 1.00 44.75 O ATOM 676 OE2 GLU A 91 39.555 19.573 -2.493 1.00 42.88 O ATOM 0 H GLU A 91 37.973 23.213 -1.990 1.00 23.35 H new ATOM 0 HA GLU A 91 38.618 21.521 0.000 1.00 24.70 H new ATOM 0 HB2 GLU A 91 40.194 23.589 -1.174 1.00 25.50 H new ATOM 0 HB3 GLU A 91 40.758 22.587 -0.121 1.00 25.50 H new ATOM 0 HG2 GLU A 91 40.048 21.976 -2.782 1.00 30.67 H new ATOM 0 HG3 GLU A 91 41.461 21.801 -2.146 1.00 30.67 H new ATOM 677 N VAL A 92 37.414 24.208 0.702 1.00 21.91 N ATOM 678 CA VAL A 92 37.039 25.168 1.738 1.00 21.24 C ATOM 679 C VAL A 92 35.537 25.056 2.022 1.00 18.53 C ATOM 680 O VAL A 92 34.811 24.433 1.247 1.00 17.90 O ATOM 681 CB VAL A 92 37.352 26.624 1.298 1.00 20.97 C ATOM 682 CG1 VAL A 92 38.857 26.855 1.263 1.00 23.82 C ATOM 683 CG2 VAL A 92 36.747 26.894 -0.086 1.00 21.93 C ATOM 0 H VAL A 92 36.935 24.253 -0.011 1.00 21.91 H new ATOM 0 HA VAL A 92 37.554 24.963 2.534 1.00 21.24 H new ATOM 0 HB VAL A 92 36.959 27.235 1.941 1.00 20.97 H new ATOM 0 HG11 VAL A 92 39.038 27.767 0.987 1.00 23.82 H new ATOM 0 HG12 VAL A 92 39.228 26.705 2.147 1.00 23.82 H new ATOM 0 HG13 VAL A 92 39.264 26.240 0.633 1.00 23.82 H new ATOM 0 HG21 VAL A 92 36.946 27.805 -0.354 1.00 21.93 H new ATOM 0 HG22 VAL A 92 37.126 26.277 -0.731 1.00 21.93 H new ATOM 0 HG23 VAL A 92 35.786 26.771 -0.049 1.00 21.93 H new ATOM 684 N ALA A 93 35.082 25.740 3.072 1.00 16.76 N ATOM 685 CA ALA A 93 33.670 25.745 3.404 1.00 15.04 C ATOM 686 C ALA A 93 32.822 26.467 2.333 1.00 14.39 C ATOM 687 O ALA A 93 33.340 27.280 1.568 1.00 12.43 O ATOM 688 CB ALA A 93 33.451 26.416 4.794 1.00 16.26 C ATOM 0 H ALA A 93 35.577 26.204 3.600 1.00 16.76 H new ATOM 0 HA ALA A 93 33.376 24.821 3.435 1.00 15.04 H new ATOM 0 HB1 ALA A 93 32.505 26.415 5.008 1.00 16.26 H new ATOM 0 HB2 ALA A 93 33.936 25.921 5.473 1.00 16.26 H new ATOM 0 HB3 ALA A 93 33.775 27.330 4.767 1.00 16.26 H new ATOM 689 N ALA A 94 31.506 26.172 2.314 1.00 13.11 N ATOM 690 CA ALA A 94 30.544 26.955 1.545 1.00 12.20 C ATOM 691 C ALA A 94 29.367 27.264 2.462 1.00 11.74 C ATOM 692 O ALA A 94 28.807 26.364 3.070 1.00 12.37 O ATOM 693 CB ALA A 94 30.068 26.192 0.295 1.00 12.63 C ATOM 0 H ALA A 94 31.159 25.515 2.747 1.00 13.11 H new ATOM 0 HA ALA A 94 30.961 27.773 1.232 1.00 12.20 H new ATOM 0 HB1 ALA A 94 29.431 26.737 -0.194 1.00 12.63 H new ATOM 0 HB2 ALA A 94 30.829 25.996 -0.274 1.00 12.63 H new ATOM 0 HB3 ALA A 94 29.644 25.362 0.564 1.00 12.63 H new ATOM 694 N SER A 95 29.006 28.531 2.556 1.00 10.66 N ATOM 695 CA SER A 95 27.877 28.970 3.402 1.00 11.93 C ATOM 696 C SER A 95 26.552 28.485 2.836 1.00 11.04 C ATOM 697 O SER A 95 25.572 28.341 3.576 1.00 11.27 O ATOM 698 CB SER A 95 27.849 30.504 3.460 1.00 10.42 C ATOM 699 OG SER A 95 27.514 30.993 2.150 1.00 12.90 O ATOM 0 H SER A 95 29.400 29.170 2.137 1.00 10.66 H new ATOM 0 HA SER A 95 28.000 28.596 4.288 1.00 11.93 H new ATOM 0 HB2 SER A 95 27.197 30.807 4.112 1.00 10.42 H new ATOM 0 HB3 SER A 95 28.711 30.848 3.740 1.00 10.42 H new ATOM 0 HG SER A 95 27.625 31.825 2.125 1.00 12.90 H new ATOM 700 N SER A 96 26.530 28.284 1.511 1.00 11.07 N ATOM 701 CA SER A 96 25.294 28.034 0.770 1.00 11.70 C ATOM 702 C SER A 96 25.632 27.451 -0.594 1.00 11.21 C ATOM 703 O SER A 96 26.746 27.678 -1.113 1.00 11.34 O ATOM 704 CB SER A 96 24.453 29.311 0.592 1.00 11.80 C ATOM 705 OG SER A 96 25.285 30.389 0.133 1.00 13.35 O ATOM 0 H SER A 96 27.236 28.290 1.020 1.00 11.07 H new ATOM 0 HA SER A 96 24.764 27.406 1.285 1.00 11.70 H new ATOM 0 HB2 SER A 96 23.739 29.151 -0.044 1.00 11.80 H new ATOM 0 HB3 SER A 96 24.035 29.551 1.433 1.00 11.80 H new ATOM 0 HG SER A 96 25.826 30.603 0.739 1.00 13.35 H new ATOM 706 N VAL A 97 24.683 26.686 -1.152 1.00 10.66 N ATOM 707 CA VAL A 97 24.871 26.083 -2.484 1.00 10.77 C ATOM 708 C VAL A 97 23.505 26.083 -3.152 1.00 10.29 C ATOM 709 O VAL A 97 22.468 25.888 -2.490 1.00 11.25 O ATOM 710 CB VAL A 97 25.402 24.582 -2.368 1.00 11.11 C ATOM 711 CG1 VAL A 97 25.325 23.844 -3.720 1.00 11.99 C ATOM 712 CG2 VAL A 97 26.845 24.515 -1.858 1.00 11.28 C ATOM 0 H VAL A 97 23.929 26.505 -0.780 1.00 10.66 H new ATOM 0 HA VAL A 97 25.527 26.586 -2.992 1.00 10.77 H new ATOM 0 HB VAL A 97 24.819 24.147 -1.726 1.00 11.11 H new ATOM 0 HG11 VAL A 97 25.654 22.938 -3.613 1.00 11.99 H new ATOM 0 HG12 VAL A 97 24.404 23.819 -4.023 1.00 11.99 H new ATOM 0 HG13 VAL A 97 25.868 24.310 -4.375 1.00 11.99 H new ATOM 0 HG21 VAL A 97 27.126 23.588 -1.803 1.00 11.28 H new ATOM 0 HG22 VAL A 97 27.427 24.993 -2.469 1.00 11.28 H new ATOM 0 HG23 VAL A 97 26.897 24.921 -0.979 1.00 11.28 H new ATOM 713 N ALA A 98 23.487 26.301 -4.460 1.00 11.06 N ATOM 714 CA ALA A 98 22.250 26.215 -5.233 1.00 11.19 C ATOM 715 C ALA A 98 22.470 25.131 -6.245 1.00 11.62 C ATOM 716 O ALA A 98 23.474 25.181 -7.013 1.00 11.89 O ATOM 717 CB ALA A 98 21.983 27.557 -5.967 1.00 11.85 C ATOM 0 H ALA A 98 24.183 26.501 -4.924 1.00 11.06 H new ATOM 0 HA ALA A 98 21.489 26.030 -4.660 1.00 11.19 H new ATOM 0 HB1 ALA A 98 21.160 27.489 -6.477 1.00 11.85 H new ATOM 0 HB2 ALA A 98 21.902 28.271 -5.316 1.00 11.85 H new ATOM 0 HB3 ALA A 98 22.720 27.750 -6.568 1.00 11.85 H new ATOM 718 N ILE A 99 21.577 24.141 -6.250 1.00 10.41 N ATOM 719 CA ILE A 99 21.610 23.114 -7.295 1.00 12.63 C ATOM 720 C ILE A 99 20.952 23.702 -8.562 1.00 11.88 C ATOM 721 O ILE A 99 19.784 24.095 -8.533 1.00 12.29 O ATOM 722 CB ILE A 99 20.905 21.821 -6.829 1.00 12.15 C ATOM 723 CG1 ILE A 99 21.737 21.155 -5.717 1.00 14.18 C ATOM 724 CG2 ILE A 99 20.693 20.863 -8.045 1.00 14.22 C ATOM 725 CD1 ILE A 99 21.087 19.886 -5.054 1.00 14.92 C ATOM 0 H ILE A 99 20.952 24.045 -5.667 1.00 10.41 H new ATOM 0 HA ILE A 99 22.527 22.866 -7.492 1.00 12.63 H new ATOM 0 HB ILE A 99 20.031 22.033 -6.466 1.00 12.15 H new ATOM 0 HG12 ILE A 99 22.598 20.903 -6.086 1.00 14.18 H new ATOM 0 HG13 ILE A 99 21.907 21.812 -5.024 1.00 14.18 H new ATOM 0 HG21 ILE A 99 20.250 20.053 -7.746 1.00 14.22 H new ATOM 0 HG22 ILE A 99 20.144 21.304 -8.712 1.00 14.22 H new ATOM 0 HG23 ILE A 99 21.553 20.636 -8.432 1.00 14.22 H new ATOM 0 HD11 ILE A 99 21.680 19.538 -4.370 1.00 14.92 H new ATOM 0 HD12 ILE A 99 20.238 20.129 -4.652 1.00 14.92 H new ATOM 0 HD13 ILE A 99 20.941 19.206 -5.730 1.00 14.92 H new ATOM 726 N ILE A 100 21.714 23.793 -9.663 1.00 12.26 N ATOM 727 CA ILE A 100 21.157 24.333 -10.925 1.00 11.84 C ATOM 728 C ILE A 100 20.670 23.186 -11.831 1.00 13.73 C ATOM 729 O ILE A 100 19.554 23.259 -12.384 1.00 15.29 O ATOM 730 CB ILE A 100 22.220 25.180 -11.673 1.00 11.29 C ATOM 731 CG1 ILE A 100 22.798 26.260 -10.736 1.00 13.24 C ATOM 732 CG2 ILE A 100 21.629 25.826 -12.937 1.00 11.96 C ATOM 733 CD1 ILE A 100 21.695 27.161 -9.982 1.00 14.46 C ATOM 0 H ILE A 100 22.539 23.554 -9.705 1.00 12.26 H new ATOM 0 HA ILE A 100 20.403 24.902 -10.704 1.00 11.84 H new ATOM 0 HB ILE A 100 22.937 24.587 -11.949 1.00 11.29 H new ATOM 0 HG12 ILE A 100 23.355 25.828 -10.070 1.00 13.24 H new ATOM 0 HG13 ILE A 100 23.375 26.843 -11.253 1.00 13.24 H new ATOM 0 HG21 ILE A 100 22.313 26.348 -13.384 1.00 11.96 H new ATOM 0 HG22 ILE A 100 21.309 25.133 -13.536 1.00 11.96 H new ATOM 0 HG23 ILE A 100 20.891 26.405 -12.690 1.00 11.96 H new ATOM 0 HD11 ILE A 100 22.140 27.811 -9.416 1.00 14.46 H new ATOM 0 HD12 ILE A 100 21.151 27.623 -10.639 1.00 14.46 H new ATOM 0 HD13 ILE A 100 21.130 26.592 -9.437 1.00 14.46 H new ATOM 734 N ASN A 101 21.499 22.161 -11.967 0.65 11.06 N ATOM 735 CA ASN A 101 21.174 20.991 -12.758 0.65 13.05 C ATOM 736 C ASN A 101 21.554 19.808 -11.905 0.65 12.75 C ATOM 737 O ASN A 101 22.725 19.594 -11.641 0.65 11.97 O ATOM 738 CB ASN A 101 21.980 20.980 -14.075 0.65 12.79 C ATOM 739 CG ASN A 101 21.588 22.116 -15.009 0.65 15.83 C ATOM 740 OD1 ASN A 101 20.413 22.331 -15.283 0.65 23.10 O ATOM 741 ND2 ASN A 101 22.569 22.851 -15.490 0.65 19.06 N ATOM 0 H ASN A 101 22.275 22.127 -11.597 0.65 11.06 H new ATOM 0 HA ASN A 101 20.235 20.977 -13.001 0.65 13.05 H new ATOM 0 HB2 ASN A 101 22.926 21.044 -13.872 0.65 12.79 H new ATOM 0 HB3 ASN A 101 21.844 20.132 -14.527 0.65 12.79 H new ATOM 0 HD21 ASN A 101 22.395 23.509 -16.016 0.65 19.06 H new ATOM 0 HD22 ASN A 101 23.383 22.673 -15.278 0.65 19.06 H new ATOM 742 N GLU A 102 20.544 19.061 -11.481 1.00 15.89 N ATOM 743 CA GLU A 102 20.688 17.982 -10.514 1.00 17.92 C ATOM 744 C GLU A 102 21.200 16.675 -11.195 1.00 19.61 C ATOM 745 O GLU A 102 21.087 16.529 -12.420 1.00 20.46 O ATOM 746 CB GLU A 102 19.347 17.766 -9.811 1.00 18.55 C ATOM 747 CG GLU A 102 18.298 16.951 -10.586 1.00 19.64 C ATOM 748 CD GLU A 102 17.486 17.777 -11.589 1.00 22.56 C ATOM 749 OE1 GLU A 102 17.883 18.891 -11.990 1.00 21.66 O ATOM 750 OE2 GLU A 102 16.431 17.283 -12.009 1.00 27.89 O ATOM 0 H GLU A 102 19.736 19.170 -11.754 1.00 15.89 H new ATOM 0 HA GLU A 102 21.355 18.227 -9.854 1.00 17.92 H new ATOM 0 HB2 GLU A 102 19.514 17.322 -8.965 1.00 18.55 H new ATOM 0 HB3 GLU A 102 18.967 18.634 -9.605 1.00 18.55 H new ATOM 0 HG2 GLU A 102 18.745 16.232 -11.060 1.00 19.64 H new ATOM 0 HG3 GLU A 102 17.690 16.538 -9.953 1.00 19.64 H new ATOM 751 N GLY A 103 21.719 15.743 -10.392 1.00 20.50 N ATOM 752 CA GLY A 103 22.159 14.442 -10.884 1.00 21.79 C ATOM 753 C GLY A 103 21.001 13.465 -11.021 1.00 23.03 C ATOM 754 O GLY A 103 20.868 12.790 -12.032 1.00 25.17 O ATOM 0 H GLY A 103 21.825 15.851 -9.545 1.00 20.50 H new ATOM 0 HA2 GLY A 103 22.592 14.552 -11.745 1.00 21.79 H new ATOM 0 HA3 GLY A 103 22.821 14.075 -10.278 1.00 21.79 H new ATOM 755 N ASP A 104 20.121 13.433 -10.045 1.00 22.25 N ATOM 756 CA ASP A 104 19.008 12.483 -10.057 1.00 22.37 C ATOM 757 C ASP A 104 17.725 13.265 -9.908 1.00 21.80 C ATOM 758 O ASP A 104 17.457 13.791 -8.827 1.00 21.80 O ATOM 759 CB ASP A 104 19.161 11.509 -8.893 1.00 22.03 C ATOM 760 CG ASP A 104 18.226 10.314 -8.989 1.00 23.07 C ATOM 761 OD1 ASP A 104 17.014 10.495 -9.153 1.00 21.20 O ATOM 762 OD2 ASP A 104 18.649 9.143 -8.906 1.00 28.30 O ATOM 0 H ASP A 104 20.142 13.951 -9.359 1.00 22.25 H new ATOM 0 HA ASP A 104 18.997 11.979 -10.886 1.00 22.37 H new ATOM 0 HB2 ASP A 104 20.078 11.194 -8.860 1.00 22.03 H new ATOM 0 HB3 ASP A 104 18.993 11.979 -8.061 1.00 22.03 H new ATOM 763 N ALA A 105 16.931 13.331 -10.975 1.00 21.63 N ATOM 764 CA ALA A 105 15.692 14.122 -10.981 1.00 21.74 C ATOM 765 C ALA A 105 14.649 13.605 -10.005 1.00 21.91 C ATOM 766 O ALA A 105 13.987 14.385 -9.314 1.00 21.37 O ATOM 767 CB ALA A 105 15.128 14.225 -12.361 1.00 22.83 C ATOM 0 H ALA A 105 17.091 12.922 -11.714 1.00 21.63 H new ATOM 0 HA ALA A 105 15.935 15.011 -10.677 1.00 21.74 H new ATOM 0 HB1 ALA A 105 14.313 14.750 -12.339 1.00 22.83 H new ATOM 0 HB2 ALA A 105 15.774 14.655 -12.943 1.00 22.83 H new ATOM 0 HB3 ALA A 105 14.931 13.337 -12.697 1.00 22.83 H new ATOM 768 N GLU A 106 14.521 12.287 -9.899 1.00 23.05 N ATOM 769 CA GLU A 106 13.532 11.711 -8.974 1.00 24.51 C ATOM 770 C GLU A 106 13.863 11.985 -7.506 1.00 23.26 C ATOM 771 O GLU A 106 12.991 12.369 -6.705 1.00 23.11 O ATOM 772 CB GLU A 106 13.411 10.199 -9.198 1.00 24.96 C ATOM 773 CG GLU A 106 12.469 9.783 -10.333 1.00 32.51 C ATOM 774 CD GLU A 106 12.646 10.557 -11.631 1.00 40.02 C ATOM 775 OE1 GLU A 106 13.567 10.218 -12.419 1.00 44.44 O ATOM 776 OE2 GLU A 106 11.851 11.506 -11.871 1.00 44.75 O ATOM 0 H GLU A 106 14.984 11.713 -10.341 1.00 23.05 H new ATOM 0 HA GLU A 106 12.686 12.145 -9.167 1.00 24.51 H new ATOM 0 HB2 GLU A 106 14.294 9.842 -9.382 1.00 24.96 H new ATOM 0 HB3 GLU A 106 13.104 9.788 -8.375 1.00 24.96 H new ATOM 0 HG2 GLU A 106 12.600 8.839 -10.514 1.00 32.51 H new ATOM 0 HG3 GLU A 106 11.553 9.889 -10.031 1.00 32.51 H new ATOM 777 N GLU A 107 15.125 11.745 -7.166 1.00 22.82 N ATOM 778 CA GLU A 107 15.653 11.992 -5.822 1.00 22.02 C ATOM 779 C GLU A 107 15.472 13.467 -5.416 1.00 21.58 C ATOM 780 O GLU A 107 14.998 13.766 -4.312 1.00 20.23 O ATOM 781 CB GLU A 107 17.122 11.601 -5.751 1.00 22.80 C ATOM 782 CG GLU A 107 17.331 10.095 -5.571 1.00 23.14 C ATOM 783 CD GLU A 107 18.784 9.679 -5.560 1.00 27.39 C ATOM 784 OE1 GLU A 107 19.052 8.462 -5.334 1.00 30.78 O ATOM 785 OE2 GLU A 107 19.662 10.552 -5.750 1.00 23.72 O ATOM 0 H GLU A 107 15.708 11.430 -7.714 1.00 22.82 H new ATOM 0 HA GLU A 107 15.152 11.445 -5.197 1.00 22.02 H new ATOM 0 HB2 GLU A 107 17.568 11.890 -6.562 1.00 22.80 H new ATOM 0 HB3 GLU A 107 17.542 12.071 -5.014 1.00 22.80 H new ATOM 0 HG2 GLU A 107 16.917 9.816 -4.739 1.00 23.14 H new ATOM 0 HG3 GLU A 107 16.874 9.626 -6.286 1.00 23.14 H new ATOM 786 N LEU A 108 15.808 14.374 -6.334 1.00 20.89 N ATOM 787 CA LEU A 108 15.608 15.809 -6.080 1.00 19.73 C ATOM 788 C LEU A 108 14.139 16.083 -5.793 1.00 19.03 C ATOM 789 O LEU A 108 13.799 16.830 -4.893 1.00 17.07 O ATOM 790 CB LEU A 108 16.043 16.641 -7.286 1.00 18.64 C ATOM 791 CG LEU A 108 16.489 18.110 -7.087 1.00 22.04 C ATOM 792 CD1 LEU A 108 16.139 19.045 -8.229 1.00 18.50 C ATOM 793 CD2 LEU A 108 16.106 18.724 -5.772 1.00 25.34 C ATOM 0 H LEU A 108 16.149 14.187 -7.101 1.00 20.89 H new ATOM 0 HA LEU A 108 16.148 16.058 -5.314 1.00 19.73 H new ATOM 0 HB2 LEU A 108 16.777 16.171 -7.712 1.00 18.64 H new ATOM 0 HB3 LEU A 108 15.305 16.645 -7.916 1.00 18.64 H new ATOM 0 HG LEU A 108 17.454 18.015 -7.080 1.00 22.04 H new ATOM 0 HD11 LEU A 108 16.453 19.939 -8.023 1.00 18.50 H new ATOM 0 HD12 LEU A 108 16.563 18.734 -9.044 1.00 18.50 H new ATOM 0 HD13 LEU A 108 15.177 19.061 -8.351 1.00 18.50 H new ATOM 0 HD21 LEU A 108 16.425 19.639 -5.737 1.00 25.34 H new ATOM 0 HD22 LEU A 108 15.140 18.715 -5.679 1.00 25.34 H new ATOM 0 HD23 LEU A 108 16.505 18.215 -5.049 1.00 25.34 H new ATOM 794 N LYS A 109 13.254 15.484 -6.583 1.00 19.77 N ATOM 795 CA LYS A 109 11.836 15.786 -6.421 1.00 20.61 C ATOM 796 C LYS A 109 11.345 15.305 -5.051 1.00 19.92 C ATOM 797 O LYS A 109 10.677 16.050 -4.315 1.00 19.63 O ATOM 798 CB LYS A 109 11.031 15.208 -7.597 1.00 21.50 C ATOM 799 CG LYS A 109 9.529 15.255 -7.380 1.00 23.73 C ATOM 800 CD LYS A 109 8.770 14.503 -8.479 1.00 29.82 C ATOM 801 CE LYS A 109 7.363 14.138 -8.020 1.00 34.33 C ATOM 802 NZ LYS A 109 6.750 13.069 -8.886 1.00 38.61 N ATOM 0 H LYS A 109 13.445 14.917 -7.201 1.00 19.77 H new ATOM 0 HA LYS A 109 11.699 16.746 -6.440 1.00 20.61 H new ATOM 0 HB2 LYS A 109 11.250 15.701 -8.403 1.00 21.50 H new ATOM 0 HB3 LYS A 109 11.301 14.288 -7.744 1.00 21.50 H new ATOM 0 HG2 LYS A 109 9.315 14.868 -6.517 1.00 23.73 H new ATOM 0 HG3 LYS A 109 9.234 16.179 -7.358 1.00 23.73 H new ATOM 0 HD2 LYS A 109 8.721 15.052 -9.277 1.00 29.82 H new ATOM 0 HD3 LYS A 109 9.255 13.698 -8.718 1.00 29.82 H new ATOM 0 HE2 LYS A 109 7.393 13.831 -7.100 1.00 34.33 H new ATOM 0 HE3 LYS A 109 6.802 14.929 -8.037 1.00 34.33 H new ATOM 0 HZ1 LYS A 109 5.932 12.881 -8.591 1.00 38.61 H new ATOM 0 HZ2 LYS A 109 6.703 13.358 -9.726 1.00 38.61 H new ATOM 0 HZ3 LYS A 109 7.253 12.335 -8.853 1.00 38.61 H new ATOM 803 N VAL A 110 11.712 14.096 -4.680 1.00 19.95 N ATOM 804 CA VAL A 110 11.376 13.607 -3.331 1.00 19.56 C ATOM 805 C VAL A 110 11.940 14.489 -2.211 1.00 20.03 C ATOM 806 O VAL A 110 11.223 14.829 -1.235 1.00 20.19 O ATOM 807 CB VAL A 110 11.832 12.166 -3.123 1.00 20.21 C ATOM 808 CG1 VAL A 110 11.604 11.735 -1.668 1.00 19.90 C ATOM 809 CG2 VAL A 110 11.041 11.257 -4.040 1.00 20.89 C ATOM 0 H VAL A 110 12.148 13.542 -5.173 1.00 19.95 H new ATOM 0 HA VAL A 110 10.408 13.647 -3.279 1.00 19.56 H new ATOM 0 HB VAL A 110 12.779 12.104 -3.324 1.00 20.21 H new ATOM 0 HG11 VAL A 110 11.898 10.818 -1.552 1.00 19.90 H new ATOM 0 HG12 VAL A 110 12.109 12.314 -1.076 1.00 19.90 H new ATOM 0 HG13 VAL A 110 10.660 11.800 -1.455 1.00 19.90 H new ATOM 0 HG21 VAL A 110 11.327 10.339 -3.912 1.00 20.89 H new ATOM 0 HG22 VAL A 110 10.096 11.332 -3.834 1.00 20.89 H new ATOM 0 HG23 VAL A 110 11.192 11.516 -4.962 1.00 20.89 H new ATOM 810 N LEU A 111 13.212 14.875 -2.342 1.00 19.38 N ATOM 811 CA LEU A 111 13.841 15.751 -1.350 1.00 18.32 C ATOM 812 C LEU A 111 13.109 17.072 -1.199 1.00 17.48 C ATOM 813 O LEU A 111 12.882 17.543 -0.096 1.00 16.32 O ATOM 814 CB LEU A 111 15.284 16.027 -1.754 1.00 18.63 C ATOM 815 CG LEU A 111 16.338 16.382 -0.741 1.00 18.89 C ATOM 816 CD1 LEU A 111 16.298 15.433 0.483 1.00 17.79 C ATOM 817 CD2 LEU A 111 17.692 16.255 -1.476 1.00 20.52 C ATOM 0 H LEU A 111 13.724 14.643 -2.993 1.00 19.38 H new ATOM 0 HA LEU A 111 13.805 15.292 -0.496 1.00 18.32 H new ATOM 0 HB2 LEU A 111 15.600 15.238 -2.222 1.00 18.63 H new ATOM 0 HB3 LEU A 111 15.261 16.750 -2.400 1.00 18.63 H new ATOM 0 HG LEU A 111 16.194 17.277 -0.396 1.00 18.89 H new ATOM 0 HD11 LEU A 111 16.988 15.689 1.114 1.00 17.79 H new ATOM 0 HD12 LEU A 111 15.430 15.494 0.912 1.00 17.79 H new ATOM 0 HD13 LEU A 111 16.451 14.521 0.191 1.00 17.79 H new ATOM 0 HD21 LEU A 111 18.413 16.474 -0.866 1.00 20.52 H new ATOM 0 HD22 LEU A 111 17.803 15.346 -1.794 1.00 20.52 H new ATOM 0 HD23 LEU A 111 17.710 16.865 -2.230 1.00 20.52 H new ATOM 818 N ILE A 112 12.747 17.699 -2.315 1.00 17.40 N ATOM 819 CA ILE A 112 11.974 18.937 -2.232 1.00 18.25 C ATOM 820 C ILE A 112 10.627 18.782 -1.488 1.00 18.84 C ATOM 821 O ILE A 112 10.217 19.659 -0.661 1.00 17.13 O ATOM 822 CB ILE A 112 11.776 19.500 -3.627 1.00 17.91 C ATOM 823 CG1 ILE A 112 13.138 20.013 -4.155 1.00 18.35 C ATOM 824 CG2 ILE A 112 10.793 20.646 -3.587 1.00 20.05 C ATOM 825 CD1 ILE A 112 13.136 20.426 -5.662 1.00 15.64 C ATOM 0 H ILE A 112 12.933 17.434 -3.112 1.00 17.40 H new ATOM 0 HA ILE A 112 12.486 19.562 -1.695 1.00 18.25 H new ATOM 0 HB ILE A 112 11.429 18.807 -4.210 1.00 17.91 H new ATOM 0 HG12 ILE A 112 13.411 20.776 -3.623 1.00 18.35 H new ATOM 0 HG13 ILE A 112 13.805 19.321 -4.022 1.00 18.35 H new ATOM 0 HG21 ILE A 112 10.672 21.000 -4.482 1.00 20.05 H new ATOM 0 HG22 ILE A 112 9.941 20.330 -3.247 1.00 20.05 H new ATOM 0 HG23 ILE A 112 11.134 21.345 -3.007 1.00 20.05 H new ATOM 0 HD11 ILE A 112 14.020 20.734 -5.914 1.00 15.64 H new ATOM 0 HD12 ILE A 112 12.893 19.661 -6.207 1.00 15.64 H new ATOM 0 HD13 ILE A 112 12.493 21.139 -5.801 1.00 15.64 H new ATOM 826 N GLU A 113 9.941 17.664 -1.765 1.00 18.99 N ATOM 827 CA GLU A 113 8.697 17.352 -1.072 1.00 20.74 C ATOM 828 C GLU A 113 8.904 17.213 0.436 1.00 20.59 C ATOM 829 O GLU A 113 8.098 17.707 1.239 1.00 20.40 O ATOM 830 CB GLU A 113 8.067 16.035 -1.581 1.00 20.97 C ATOM 831 CG GLU A 113 7.696 16.017 -3.045 1.00 24.42 C ATOM 832 CD GLU A 113 7.211 14.641 -3.516 1.00 30.73 C ATOM 833 OE1 GLU A 113 6.873 14.534 -4.715 1.00 32.29 O ATOM 834 OE2 GLU A 113 7.171 13.665 -2.713 1.00 32.41 O ATOM 0 H GLU A 113 10.183 17.080 -2.349 1.00 18.99 H new ATOM 0 HA GLU A 113 8.103 18.096 -1.258 1.00 20.74 H new ATOM 0 HB2 GLU A 113 8.689 15.310 -1.412 1.00 20.97 H new ATOM 0 HB3 GLU A 113 7.270 15.853 -1.059 1.00 20.97 H new ATOM 0 HG2 GLU A 113 7.000 16.674 -3.207 1.00 24.42 H new ATOM 0 HG3 GLU A 113 8.465 16.283 -3.573 1.00 24.42 H new ATOM 835 N LYS A 114 9.963 16.505 0.826 1.00 21.94 N ATOM 836 CA LYS A 114 10.256 16.316 2.249 1.00 22.37 C ATOM 837 C LYS A 114 10.508 17.653 2.929 1.00 22.84 C ATOM 838 O LYS A 114 9.992 17.920 4.026 1.00 22.71 O ATOM 839 CB LYS A 114 11.457 15.391 2.430 1.00 22.42 C ATOM 840 CG LYS A 114 11.175 13.961 2.089 1.00 22.86 C ATOM 841 CD LYS A 114 12.426 13.143 2.346 1.00 26.40 C ATOM 842 CE LYS A 114 12.207 11.650 2.107 1.00 28.85 C ATOM 843 NZ LYS A 114 13.482 10.982 2.519 1.00 30.23 N ATOM 0 H LYS A 114 10.520 16.129 0.290 1.00 21.94 H new ATOM 0 HA LYS A 114 9.483 15.903 2.666 1.00 22.37 H new ATOM 0 HB2 LYS A 114 12.186 15.709 1.875 1.00 22.42 H new ATOM 0 HB3 LYS A 114 11.758 15.442 3.351 1.00 22.42 H new ATOM 0 HG2 LYS A 114 10.439 13.627 2.625 1.00 22.86 H new ATOM 0 HG3 LYS A 114 10.908 13.883 1.160 1.00 22.86 H new ATOM 0 HD2 LYS A 114 13.140 13.459 1.770 1.00 26.40 H new ATOM 0 HD3 LYS A 114 12.718 13.282 3.261 1.00 26.40 H new ATOM 0 HE2 LYS A 114 11.457 11.320 2.627 1.00 28.85 H new ATOM 0 HE3 LYS A 114 12.006 11.472 1.175 1.00 28.85 H new ATOM 0 HZ1 LYS A 114 13.579 10.222 2.067 1.00 30.23 H new ATOM 0 HZ2 LYS A 114 14.169 11.520 2.344 1.00 30.23 H new ATOM 0 HZ3 LYS A 114 13.457 10.807 3.391 1.00 30.23 H new ATOM 844 N VAL A 115 11.288 18.501 2.262 1.00 23.52 N ATOM 845 CA VAL A 115 11.581 19.827 2.775 1.00 24.91 C ATOM 846 C VAL A 115 10.301 20.658 2.955 1.00 26.37 C ATOM 847 O VAL A 115 10.020 21.162 4.062 1.00 25.70 O ATOM 848 CB VAL A 115 12.633 20.511 1.913 1.00 25.77 C ATOM 849 CG1 VAL A 115 12.782 21.949 2.343 1.00 28.69 C ATOM 850 CG2 VAL A 115 13.962 19.787 2.115 1.00 25.51 C ATOM 0 H VAL A 115 11.657 18.322 1.506 1.00 23.52 H new ATOM 0 HA VAL A 115 11.962 19.742 3.663 1.00 24.91 H new ATOM 0 HB VAL A 115 12.369 20.483 0.980 1.00 25.77 H new ATOM 0 HG11 VAL A 115 13.453 22.384 1.793 1.00 28.69 H new ATOM 0 HG12 VAL A 115 11.933 22.407 2.240 1.00 28.69 H new ATOM 0 HG13 VAL A 115 13.056 21.982 3.273 1.00 28.69 H new ATOM 0 HG21 VAL A 115 14.646 20.209 1.573 1.00 25.51 H new ATOM 0 HG22 VAL A 115 14.217 19.833 3.050 1.00 25.51 H new ATOM 0 HG23 VAL A 115 13.868 18.858 1.851 1.00 25.51 H new ATOM 851 N ASN A 116 9.497 20.727 1.894 1.00 26.62 N ATOM 852 CA ASN A 116 8.193 21.368 1.948 1.00 28.89 C ATOM 853 C ASN A 116 7.356 20.983 3.168 1.00 29.66 C ATOM 854 O ASN A 116 6.711 21.836 3.754 1.00 30.86 O ATOM 855 CB ASN A 116 7.422 21.108 0.646 1.00 29.81 C ATOM 856 CG ASN A 116 7.901 21.975 -0.492 1.00 32.26 C ATOM 857 OD1 ASN A 116 8.426 23.061 -0.278 1.00 37.49 O ATOM 858 ND2 ASN A 116 7.761 21.480 -1.716 1.00 37.82 N ATOM 0 H ASN A 116 9.697 20.402 1.123 1.00 26.62 H new ATOM 0 HA ASN A 116 8.362 22.318 2.044 1.00 28.89 H new ATOM 0 HB2 ASN A 116 7.516 20.175 0.399 1.00 29.81 H new ATOM 0 HB3 ASN A 116 6.477 21.269 0.796 1.00 29.81 H new ATOM 0 HD21 ASN A 116 8.044 21.926 -2.395 1.00 37.82 H new ATOM 0 HD22 ASN A 116 7.387 20.714 -1.830 1.00 37.82 H new ATOM 859 N VAL A 117 7.365 19.708 3.552 1.00 30.25 N ATOM 860 CA VAL A 117 6.681 19.246 4.748 1.00 31.46 C ATOM 861 C VAL A 117 7.313 19.795 6.042 1.00 33.23 C ATOM 862 O VAL A 117 6.590 20.167 6.976 1.00 32.89 O ATOM 863 CB VAL A 117 6.631 17.714 4.778 1.00 32.02 C ATOM 864 CG1 VAL A 117 6.246 17.205 6.156 1.00 31.75 C ATOM 865 CG2 VAL A 117 5.673 17.208 3.679 1.00 31.26 C ATOM 0 H VAL A 117 7.772 19.086 3.120 1.00 30.25 H new ATOM 0 HA VAL A 117 5.776 19.593 4.709 1.00 31.46 H new ATOM 0 HB VAL A 117 7.515 17.361 4.593 1.00 32.02 H new ATOM 0 HG11 VAL A 117 6.222 16.235 6.148 1.00 31.75 H new ATOM 0 HG12 VAL A 117 6.899 17.506 6.807 1.00 31.75 H new ATOM 0 HG13 VAL A 117 5.371 17.548 6.395 1.00 31.75 H new ATOM 0 HG21 VAL A 117 5.641 16.239 3.698 1.00 31.26 H new ATOM 0 HG22 VAL A 117 4.784 17.563 3.836 1.00 31.26 H new ATOM 0 HG23 VAL A 117 5.990 17.504 2.811 1.00 31.26 H new ATOM 866 N LEU A 118 8.647 19.881 6.083 1.00 33.84 N ATOM 867 CA LEU A 118 9.350 20.377 7.277 1.00 35.40 C ATOM 868 C LEU A 118 9.104 21.854 7.572 1.00 37.25 C ATOM 869 O LEU A 118 9.137 22.278 8.730 1.00 37.08 O ATOM 870 CB LEU A 118 10.854 20.173 7.124 1.00 34.98 C ATOM 871 CG LEU A 118 11.396 18.745 7.107 1.00 34.04 C ATOM 872 CD1 LEU A 118 12.882 18.783 6.697 1.00 32.53 C ATOM 873 CD2 LEU A 118 11.221 18.074 8.462 1.00 33.14 C ATOM 0 H LEU A 118 9.164 19.658 5.433 1.00 33.84 H new ATOM 0 HA LEU A 118 8.992 19.864 8.018 1.00 35.40 H new ATOM 0 HB2 LEU A 118 11.128 20.603 6.299 1.00 34.98 H new ATOM 0 HB3 LEU A 118 11.291 20.646 7.849 1.00 34.98 H new ATOM 0 HG LEU A 118 10.896 18.220 6.463 1.00 34.04 H new ATOM 0 HD11 LEU A 118 13.237 17.880 6.683 1.00 32.53 H new ATOM 0 HD12 LEU A 118 12.964 19.176 5.814 1.00 32.53 H new ATOM 0 HD13 LEU A 118 13.381 19.316 7.336 1.00 32.53 H new ATOM 0 HD21 LEU A 118 11.572 17.171 8.424 1.00 33.14 H new ATOM 0 HD22 LEU A 118 11.700 18.579 9.138 1.00 33.14 H new ATOM 0 HD23 LEU A 118 10.278 18.044 8.689 1.00 33.14 H new ATOM 874 N LYS A 119 8.884 22.628 6.516 1.00 39.50 N ATOM 875 CA LYS A 119 8.811 24.082 6.614 1.00 42.64 C ATOM 876 C LYS A 119 7.433 24.620 7.041 1.00 44.49 C ATOM 877 O LYS A 119 7.190 25.826 6.934 1.00 45.51 O ATOM 878 CB LYS A 119 9.290 24.746 5.314 1.00 41.77 C ATOM 879 CG LYS A 119 8.510 24.331 4.068 1.00 44.12 C ATOM 880 CD LYS A 119 8.307 25.455 3.050 1.00 44.38 C ATOM 881 CE LYS A 119 9.593 26.190 2.742 1.00 46.15 C ATOM 882 NZ LYS A 119 9.590 26.775 1.356 1.00 44.14 N ATOM 0 H LYS A 119 8.772 22.324 5.719 1.00 39.50 H new ATOM 0 HA LYS A 119 9.414 24.325 7.334 1.00 42.64 H new ATOM 0 HB2 LYS A 119 9.229 25.709 5.414 1.00 41.77 H new ATOM 0 HB3 LYS A 119 10.227 24.533 5.181 1.00 41.77 H new ATOM 0 HG2 LYS A 119 8.976 23.598 3.636 1.00 44.12 H new ATOM 0 HG3 LYS A 119 7.642 23.994 4.340 1.00 44.12 H new ATOM 0 HD2 LYS A 119 7.944 25.084 2.230 1.00 44.38 H new ATOM 0 HD3 LYS A 119 7.652 26.083 3.391 1.00 44.38 H new ATOM 0 HE2 LYS A 119 9.723 26.899 3.391 1.00 46.15 H new ATOM 0 HE3 LYS A 119 10.342 25.581 2.834 1.00 46.15 H new ATOM 0 HZ1 LYS A 119 10.217 26.378 0.865 1.00 44.14 H new ATOM 0 HZ2 LYS A 119 8.793 26.646 0.981 1.00 44.14 H new ATOM 0 HZ3 LYS A 119 9.758 27.648 1.402 1.00 44.14 H new ATOM 883 N GLN A 120 6.538 23.742 7.499 1.00 46.64 N ATOM 884 CA GLN A 120 5.410 24.177 8.335 1.00 48.92 C ATOM 885 C GLN A 120 5.140 23.281 9.556 1.00 49.39 C ATOM 886 O GLN A 120 4.714 22.134 9.305 1.00 22.11 O ATOM 887 CB GLN A 120 4.145 24.392 7.511 1.00 49.81 C ATOM 888 CG GLN A 120 3.902 25.882 7.212 1.00 52.97 C ATOM 889 CD GLN A 120 2.443 26.304 7.376 1.00 57.04 C ATOM 890 OE1 GLN A 120 1.522 25.497 7.183 1.00 59.05 O ATOM 891 NE2 GLN A 120 2.228 27.573 7.735 1.00 57.77 N ATOM 892 OXT GLN A 120 5.332 23.669 10.724 1.00 50.03 O ATOM 0 H GLN A 120 6.563 22.897 7.340 1.00 46.64 H new ATOM 0 HA GLN A 120 5.686 25.032 8.701 1.00 48.92 H new ATOM 0 HB2 GLN A 120 4.216 23.902 6.677 1.00 49.81 H new ATOM 0 HB3 GLN A 120 3.383 24.030 7.989 1.00 49.81 H new ATOM 0 HG2 GLN A 120 4.455 26.418 7.802 1.00 52.97 H new ATOM 0 HG3 GLN A 120 4.187 26.074 6.305 1.00 52.97 H new ATOM 0 HE21 GLN A 120 2.894 28.103 7.860 1.00 57.77 H new ATOM 0 HE22 GLN A 120 1.424 27.860 7.841 1.00 57.77 H new TER 893 GLN A 120 HETATM 894 O HOH A 200 25.063 32.687 -9.894 1.00 15.19 O HETATM 895 O HOH A 201 8.515 35.325 2.142 1.00 20.58 O HETATM 896 O HOH A 202 29.573 32.915 -4.196 1.00 14.99 O HETATM 897 O HOH A 203 29.485 29.394 -7.942 1.00 19.62 O HETATM 898 O HOH A 204 28.969 23.396 -11.118 1.00 21.24 O HETATM 899 O HOH A 205 27.841 26.893 -12.407 1.00 26.98 O HETATM 900 O HOH A 206 29.703 18.913 -6.832 1.00 43.51 O HETATM 901 O HOH A 207 20.105 13.090 -4.825 1.00 21.96 O HETATM 902 O HOH A 208 19.467 14.726 -7.132 1.00 21.58 O HETATM 903 O HOH A 209 21.695 16.453 -7.528 1.00 15.01 O HETATM 904 O HOH A 210 19.873 12.756 -2.120 1.00 27.47 O HETATM 905 O HOH A 211 25.154 30.706 12.193 1.00 15.18 O HETATM 906 O HOH A 212 22.593 28.204 13.821 1.00 22.80 O HETATM 907 O HOH A 213 25.137 31.686 14.660 1.00 30.35 O HETATM 908 O HOH A 214 22.693 33.066 17.168 1.00 39.20 O HETATM 909 O HOH A 215 27.651 11.356 -1.432 1.00 50.63 O HETATM 910 O HOH A 216 32.111 14.795 -0.995 1.00 45.88 O HETATM 911 O HOH A 217 8.035 13.761 4.313 1.00 37.61 O HETATM 912 O HOH A 218 17.759 22.770 10.085 1.00 17.18 O HETATM 913 O HOH A 219 21.497 20.317 12.598 1.00 16.52 O HETATM 914 O HOH A 220 18.223 15.709 15.870 1.00 21.07 O HETATM 915 O HOH A 221 15.561 35.727 5.211 1.00 14.65 O HETATM 916 O HOH A 222 19.193 37.334 10.970 1.00 32.43 O HETATM 917 O HOH A 223 20.165 35.047 14.930 1.00 19.79 O HETATM 918 O HOH A 224 22.118 39.233 4.499 1.00 16.41 O HETATM 919 O HOH A 225 26.060 37.661 1.500 1.00 12.55 O HETATM 920 O HOH A 226 12.023 31.287 -9.509 1.00 23.65 O HETATM 921 O HOH A 227 29.036 34.456 17.204 1.00 38.28 O HETATM 922 O HOH A 228 12.524 38.556 -9.900 1.00 41.37 O HETATM 923 O HOH A 229 31.294 31.504 8.149 1.00 17.05 O HETATM 924 O HOH A 230 30.860 28.660 13.035 1.00 39.14 O HETATM 925 O HOH A 231 37.131 26.414 5.168 1.00 32.20 O HETATM 926 O HOH A 232 12.916 40.322 -7.255 1.00 35.27 O HETATM 927 O HOH A 233 18.325 40.140 -3.594 1.00 46.36 O HETATM 928 O HOH A 234 38.502 24.828 -3.267 1.00 27.08 O HETATM 929 O HOH A 235 34.804 29.574 3.043 1.00 31.78 O HETATM 930 O HOH A 236 16.179 40.325 3.116 1.00 28.38 O HETATM 931 O HOH A 237 36.538 14.053 3.621 1.00 38.86 O HETATM 932 O HOH A 238 35.465 18.139 -1.863 1.00 34.64 O HETATM 933 O HOH A 239 22.180 37.218 -12.626 1.00 51.16 O HETATM 934 O HOH A 240 28.850 31.543 -11.629 1.00 40.60 O HETATM 935 O HOH A 241 15.088 12.351 -15.227 1.00 65.35 O HETATM 936 O HOH A 242 24.863 38.398 -4.801 1.00 27.66 O HETATM 937 O HOH A 243 28.746 40.379 -7.421 1.00 47.84 O HETATM 938 O HOH A 244 12.630 23.634 -7.620 1.00 18.19 O HETATM 939 O HOH A 245 10.471 28.459 -0.741 1.00 20.11 O HETATM 940 O HOH A 246 13.207 16.893 -10.358 1.00 25.30 O HETATM 941 O HOH A 247 8.964 18.075 -5.477 1.00 22.01 O HETATM 942 O HOH A 248 5.482 18.085 -1.566 1.00 54.18 O HETATM 943 O HOH A 249 8.984 23.998 -4.017 1.00 43.06 O HETATM 944 O HOH A 250 22.068 25.028 -17.108 1.00 40.13 O HETATM 945 O HOH A 251 21.117 28.316 -16.348 1.00 53.27 O HETATM 946 O HOH A 252 17.967 25.393 -13.265 1.00 23.12 O HETATM 947 O HOH A 253 12.051 18.985 12.059 1.00 39.28 O HETATM 948 O HOH A 254 12.807 12.192 11.343 1.00 30.27 O HETATM 949 O HOH A 255 13.076 11.182 7.970 1.00 56.19 O HETATM 950 O HOH A 256 30.014 36.666 13.599 1.00 35.38 O HETATM 951 O HOH A 257 21.072 10.178 -0.969 1.00 39.39 O HETATM 952 O HOH A 258 9.974 40.075 -3.765 1.00 22.66 O HETATM 953 O HOH A 259 8.715 38.259 -5.561 1.00 21.98 O HETATM 954 O HOH A 260 25.957 37.564 -1.026 1.00 44.08 O HETATM 955 O HOH A 261 7.858 25.042 10.529 1.00 70.43 O HETATM 956 O HOH A 262 16.284 29.733 14.390 1.00 26.26 O HETATM 957 O HOH A 263 9.740 25.649 12.026 1.00 55.26 O HETATM 958 O HOH A 264 11.411 22.967 12.897 1.00 24.12 O HETATM 959 O HOH A 265 25.340 40.026 2.593 1.00 45.37 O HETATM 960 O HOH A 266 33.542 28.332 -6.175 1.00 33.48 O HETATM 961 O HOH A 267 25.983 23.678 13.033 1.00 23.82 O HETATM 962 O HOH A 268 23.737 23.274 13.754 1.00 29.61 O HETATM 963 O HOH A 269 26.375 27.230 14.872 1.00 42.18 O HETATM 964 O HOH A 270 20.264 35.058 11.441 1.00 17.32 O HETATM 965 O HOH A 271 14.930 25.548 -13.962 1.00 49.00 O HETATM 966 O HOH A 272 20.449 18.661 -14.951 1.00 53.15 O HETATM 967 O HOH A 273 7.146 34.812 0.240 1.00 41.94 O HETATM 968 O HOH A 274 16.264 16.416 14.074 1.00 43.62 O HETATM 969 O HOH A 275 7.075 14.009 1.799 1.00 33.15 O HETATM 970 O HOH A 276 20.871 8.192 -8.623 1.00 39.51 O HETATM 971 O HOH A 277 26.428 19.133 7.875 1.00 16.71 O HETATM 972 O HOH A 278 31.442 23.650 9.648 1.00 16.17 O HETATM 973 O HOH A 279 27.048 20.440 5.642 1.00103.49 O HETATM 974 O HOH A 280 28.241 15.140 7.386 1.00 37.68 O HETATM 975 O HOH A 281 42.437 18.027 -3.005 1.00 51.36 O HETATM 976 O HOH A 282 42.741 21.090 -4.387 1.00 61.84 O HETATM 977 O HOH A 283 16.998 7.129 -7.753 1.00 53.10 O HETATM 978 O HOH A 284 36.304 17.837 4.399 1.00 60.72 O HETATM 979 O HOH A 285 14.886 11.946 0.180 1.00 44.43 O HETATM 980 O HOH A 286 26.356 25.116 8.856 1.00 96.13 O HETATM 981 O HOH A 287 9.955 19.413 -7.476 1.00 30.76 O HETATM 982 O HOH A 288 7.075 19.888 -4.206 1.00 39.02 O HETATM 983 O HOH A 289 22.499 31.479 19.380 1.00 44.77 O HETATM 984 O HOH A 290 20.247 40.332 6.002 1.00 40.35 O HETATM 985 O HOH A 291 28.588 42.074 5.689 1.00 55.72 O HETATM 986 O HOH A 292 7.250 30.724 -2.061 1.00 41.01 O HETATM 987 O HOH A 293 24.677 39.226 -2.327 1.00 55.17 O HETATM 988 O HOH A 294 20.091 41.256 0.283 1.00 38.19 O HETATM 989 O HOH A 295 18.798 41.892 2.688 1.00 41.35 O HETATM 990 O HOH A 296 16.354 38.854 0.967 1.00 26.23 O HETATM 991 O HOH A 297 18.311 39.467 -1.149 1.00 29.00 O HETATM 992 O HOH A 298 23.156 39.791 -6.109 1.00 33.10 O HETATM 993 O HOH A 299 21.063 37.449 -10.663 1.00 37.34 O HETATM 994 O HOH A 300 20.661 39.846 -10.262 1.00 50.21 O HETATM 995 O HOH A 301 38.718 20.590 -5.099 1.00 42.94 O HETATM 996 O HOH A 302 15.694 38.702 5.216 1.00 30.79 O HETATM 997 O HOH A 303 17.692 39.396 6.586 1.00 39.41 O HETATM 998 O HOH A 304 13.694 40.677 4.758 1.00 36.49 O HETATM 999 O HOH A 305 16.946 35.505 8.539 1.00 22.11 O HETATM 1000 O HOH A 306 11.243 33.023 6.681 1.00 33.19 O HETATM 1001 O HOH A 307 17.315 38.014 9.763 1.00 28.22 O HETATM 1002 O HOH A 308 21.444 40.572 8.569 1.00 37.47 O HETATM 1003 O HOH A 309 22.260 15.537 16.613 1.00 34.36 O HETATM 1004 O HOH A 310 17.808 12.017 11.208 1.00 21.02 O HETATM 1005 O HOH A 311 16.973 13.680 13.576 1.00 17.92 O HETATM 1006 O HOH A 312 11.550 33.443 -11.701 1.00 39.49 O HETATM 1007 O HOH A 313 11.160 16.543 11.704 1.00 37.87 O HETATM 1008 O HOH A 314 10.948 14.336 9.977 1.00 40.33 O HETATM 1009 O HOH A 315 14.481 31.809 -14.667 1.00 44.30 O HETATM 1010 O HOH A 316 30.323 39.918 13.059 1.00 28.58 O HETATM 1011 O HOH A 317 19.186 26.640 -15.503 1.00 29.90 O HETATM 1012 O HOH A 318 11.449 26.465 -7.994 1.00 35.25 O HETATM 1013 O HOH A 319 12.313 30.022 -11.974 1.00 56.17 O HETATM 1014 O HOH A 320 11.408 20.166 14.651 1.00 38.40 O HETATM 1015 O HOH A 321 14.206 26.310 13.843 1.00 41.41 O HETATM 1016 O HOH A 322 31.282 40.741 -7.005 1.00 41.61 O HETATM 1017 O HOH A 323 6.419 16.783 -5.874 1.00 37.48 O HETATM 1018 O HOH A 324 9.662 15.204 5.929 1.00 27.06 O HETATM 1019 O HOH A 325 24.538 17.120 8.796 1.00 26.33 O HETATM 1020 O HOH A 326 23.228 18.271 13.299 1.00 29.52 O HETATM 1021 O HOH A 327 15.399 11.747 -2.424 1.00 36.32 O HETATM 1022 O HOH A 328 17.860 11.335 -1.798 1.00 33.63 O HETATM 1023 O HOH A 329 13.437 8.856 -5.650 1.00 38.42 O HETATM 1024 O HOH A 330 13.807 32.274 13.047 1.00 34.50 O HETATM 1025 O HOH A 331 24.900 20.972 -16.471 1.00 39.38 O HETATM 1026 O HOH A 332 25.621 17.938 -17.490 1.00 44.17 O HETATM 1027 O HOH A 333 23.162 33.259 -11.608 1.00 29.62 O HETATM 1028 O HOH A 334 21.418 20.259 -17.635 1.00 64.96 O HETATM 1029 O HOH A 335 17.386 11.542 -13.096 1.00 34.49 O HETATM 1030 O HOH A 336 24.066 32.466 -14.209 1.00 37.46 O HETATM 1031 O HOH A 337 8.920 11.482 -10.025 1.00 43.13 O HETATM 1032 O HOH A 338 10.496 11.468 -7.639 1.00 43.83 O HETATM 1033 O HOH A 339 19.699 35.390 17.747 1.00 37.45 O HETATM 1034 O HOH A 340 18.892 21.973 13.345 1.00 30.35 O HETATM 1035 O HOH A 341 12.149 23.226 16.064 1.00 43.98 O HETATM 1036 O HOH A 342 6.687 19.944 10.420 1.00 37.56 O HETATM 1037 O HOH A 343 10.186 22.878 -6.715 1.00 30.30 O HETATM 1038 O HOH A 344 8.716 25.902 -1.894 1.00 43.17 O HETATM 1039 O HOH A 345 11.654 24.997 1.211 1.00 29.63 O HETATM 1040 O HOH A 346 29.003 39.194 -1.371 1.00 32.35 O HETATM 1041 O HOH A 347 9.068 29.006 2.752 1.00 47.41 O HETATM 1042 O HOH A 348 5.656 27.012 -1.072 1.00 49.92 O HETATM 1043 O HOH A 349 26.031 13.925 -11.657 1.00 44.58 O HETATM 1044 O HOH A 350 13.212 20.533 -12.526 1.00 35.04 O HETATM 1045 O HOH A 351 6.418 32.329 -0.493 1.00 47.80 O HETATM 1046 O HOH A 352 24.833 17.090 11.746 1.00 39.65 O HETATM 1047 O HOH A 353 39.647 25.796 -7.087 1.00 48.12 O HETATM 1048 O HOH A 354 31.793 30.452 -6.477 1.00 51.55 O HETATM 1049 O HOH A 355 32.229 32.931 -9.438 1.00 41.16 O HETATM 1050 O HOH A 356 13.440 35.768 6.955 1.00 33.71 O HETATM 1051 O HOH A 357 7.716 14.838 -11.618 1.00 52.89 O HETATM 1052 O HOH A 358 11.054 13.694 -11.691 1.00 54.49 O HETATM 1053 O HOH A 359 28.834 29.038 -14.295 1.00 45.49 O HETATM 1054 O HOH A 360 35.226 21.945 3.468 1.00 35.17 O HETATM 1055 O HOH A 361 30.339 16.585 2.940 1.00 28.36 O HETATM 1056 O HOH A 362 19.233 8.026 4.196 1.00 46.74 O HETATM 1057 O HOH A 363 32.988 30.165 12.372 1.00 34.31 O HETATM 1058 O HOH A 364 14.648 36.566 -12.866 1.00 50.84 O HETATM 1059 O HOH A 365 10.671 29.739 11.419 1.00 47.63 O HETATM 1060 O HOH A 366 8.693 24.141 -8.572 1.00 36.62 O HETATM 1061 O HOH A 367 32.160 40.243 10.621 1.00 57.87 O HETATM 1062 O HOH A 368 26.690 44.907 6.662 1.00 52.96 O HETATM 1063 O HOH A 369 13.659 10.645 5.456 1.00 58.88 O HETATM 1064 O HOH A 370 10.142 9.178 -6.617 1.00 33.68 O HETATM 1065 O HOH A 371 26.685 15.702 9.283 1.00 90.61 O HETATM 1066 O HOH A 372 9.061 11.197 4.364 1.00 36.70 O HETATM 1067 O HOH A 373 26.181 11.565 -3.963 1.00 28.44 O HETATM 1068 O HOH A 374 28.301 14.012 0.759 1.00 40.96 O HETATM 1069 O HOH A 375 12.795 39.266 -5.265 1.00 47.48 O HETATM 1070 O HOH A 376 33.722 23.707 10.845 1.00 37.12 O HETATM 1071 O HOH A 377 38.009 22.220 4.864 1.00 62.42 O HETATM 1072 O HOH A 378 34.889 14.638 -1.318 1.00 61.65 O HETATM 1073 O HOH A 379 15.321 8.848 4.527 1.00 51.69 O HETATM 1074 O HOH A 380 30.935 14.613 -5.766 1.00 36.34 O HETATM 1075 O HOH A 381 8.696 12.710 -0.306 1.00 44.00 O HETATM 1076 O HOH A 382 15.729 10.031 -11.494 1.00 52.28 O HETATM 1077 O HOH A 383 12.998 21.127 -9.339 1.00 33.85 O HETATM 1078 O HOH A 384 11.042 22.217 -0.397 1.00 51.13 O HETATM 1079 O HOH A 385 23.772 26.240 15.169 1.00 38.82 O HETATM 1080 O HOH A 386 10.242 35.409 5.388 1.00 44.18 O HETATM 1081 O HOH A 387 32.946 22.679 -7.351 1.00 38.89 O HETATM 1082 O HOH A 388 21.103 5.615 -2.478 1.00 46.59 O HETATM 1083 O HOH A 389 14.684 38.666 10.988 1.00 51.94 O HETATM 1084 O HOH A 390 29.702 17.831 10.742 1.00 45.33 O HETATM 1085 O HOH A 391 15.592 39.153 -7.615 1.00 47.64 O HETATM 1086 O HOH A 392 27.773 10.916 -6.119 1.00 50.61 O HETATM 1087 O HOH A 393 12.451 18.695 -8.603 1.00 46.57 O HETATM 1088 O HOH A 394 -1.044 22.775 4.039 1.00 45.36 O HETATM 1089 O HOH A 395 26.648 8.342 -0.892 1.00 39.18 O HETATM 1090 O HOH A 396 18.453 23.723 18.654 1.00 45.70 O HETATM 1091 O HOH A 397 2.727 23.631 1.756 1.00 50.43 O HETATM 1092 O HOH A 398 17.703 15.496 -14.711 1.00 42.22 O HETATM 1093 O HOH A 399 9.506 10.832 -14.328 1.00 55.97 O HETATM 1094 O HOH A 400 31.852 15.598 9.033 1.00 46.14 O HETATM 1095 O HOH A 401 11.154 10.391 11.745 1.00 45.80 O HETATM 1096 O HOH A 402 24.479 36.280 -12.157 1.00 42.93 O HETATM 1097 O HOH A 403 15.811 28.630 16.936 1.00 55.35 O HETATM 1098 O HOH A 404 33.150 18.913 -8.536 1.00 44.78 O HETATM 1099 O HOH A 405 24.722 7.890 -4.073 1.00 60.72 O HETATM 1100 O HOH A 406 29.025 15.812 -9.861 1.00 47.68 O HETATM 1101 O HOH A 407 10.449 6.000 -13.472 1.00 49.93 O HETATM 1102 O HOH A 408 16.881 5.115 6.509 1.00 52.61 O HETATM 1103 O HOH A 409 12.496 6.910 4.609 1.00 58.74 O HETATM 1104 O HOH A 410 15.423 14.947 -15.867 1.00 53.75 O END