USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 525 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 24-DEC-98 1B4O TITLE NMR STUDY OF SSO7D MUTANT (F31A) MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENDORIBONUCLEASE P2; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: SSO7D; COMPND 5 EC: 3.1.27.-; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; SOURCE 3 ORGANISM_TAXID: 2287; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSE; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PT7-7 KEYWDS RNASE AND DNA-BINDING PROTEIN, THERMOSTABLE RIBONUCLEASE, KEYWDS 2 3D-STRUCTURE, NMR, SULFOLOBUS SOLFATARICUS EXPDTA SOLUTION NMR AUTHOR R.CONSONNI,L.SANTOMO,L.ZETTA REVDAT 3 24-FEB-09 1B4O 1 VERSN REVDAT 2 01-APR-03 1B4O 1 JRNL REVDAT 1 05-JAN-00 1B4O 0 JRNL AUTH R.CONSONNI,L.SANTOMO,P.FUSI,P.TORTORA,L.ZETTA JRNL TITL A SINGLE-POINT MUTATION IN THE EXTREME HEAT- AND JRNL TITL 2 PRESSURE-RESISTANT SSO7D PROTEIN FROM SULFOLOBUS JRNL TITL 3 SOLFATARICUS LEADS TO A MAJOR REARRANGEMENT OF THE JRNL TITL 4 HYDROPHOBIC CORE. JRNL REF BIOCHEMISTRY V. 38 12709 1999 JRNL REFN ISSN 0006-2960 JRNL PMID 10504241 JRNL DOI 10.1021/BI9911280 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH F.CATANZANO,G.GRAZIANO,P.FUSI,P.TORTORA,G.BARONE REMARK 1 TITL DIFFERENTIAL SCANNING CALORIMETRY STUDY OF THE REMARK 1 TITL 2 THERMODYNAMIC STABILITY OF SOME MUTANTS OF SSO7D REMARK 1 TITL 3 FROM SULFOLOBUS SOLFATARICUS REMARK 1 REF BIOCHEMISTRY V. 37 10493 1998 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.FUSI,K.GOOSSENS,R.CONSONNI,M.GRISA,P.PURICELLI, REMARK 1 AUTH 2 G.VECCHIO,M.VANONI,L.ZETTA,K.HEREMANS,P.TORTORA REMARK 1 TITL EXTREME HEAT-AND PRESSURE-RESISTANT 7-KDA PROTEIN REMARK 1 TITL 2 P2 FROM THE ARCHAEON SULFOLOBUS SOLFATARICUS IS REMARK 1 TITL 3 DRAMATICALLY DESTABILIZED BY A SINGLE-POINT AMINO REMARK 1 TITL 4 ACID SUBSTITUTION REMARK 1 REF PROTEINS V. 29 381 1997 REMARK 1 REFN ISSN 0887-3585 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 2.9 REMARK 3 AUTHORS : DAUBER-OSGUTHORPE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1B4O COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 300 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : H2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : DQF-COSY, GE-TOCSY, GE-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DISCOVER, FELIX REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST ENERGY TERM REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE MINIMIZED AVERAGE STRUCTURE WAS DETERMINED USING 22 REMARK 210 SELECTED CONFORMERS REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION REMARK 500 GLU A 10 CD GLU A 10 OE2 0.118 REMARK 500 GLU A 11 CD GLU A 11 OE2 0.120 REMARK 500 GLU A 35 CD GLU A 35 OE2 0.121 REMARK 500 GLU A 47 CD GLU A 47 OE2 0.120 REMARK 500 GLU A 53 CD GLU A 53 OE2 0.119 REMARK 500 GLU A 59 CD GLU A 59 OE2 0.118 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 24 NE - CZ - NH1 ANGL. DEV. = 3.7 DEGREES REMARK 500 ARG A 42 NE - CZ - NH1 ANGL. DEV. = 3.6 DEGREES REMARK 500 LEU A 58 CA - C - N ANGL. DEV. = 13.7 DEGREES REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE A 5 -117.09 -101.67 REMARK 500 LYS A 6 85.33 56.00 REMARK 500 LYS A 8 -64.17 -98.07 REMARK 500 LYS A 21 107.78 80.46 REMARK 500 VAL A 22 -83.79 -128.33 REMARK 500 ARG A 24 -73.13 -143.53 REMARK 500 GLU A 47 -47.51 -158.21 REMARK 500 GLU A 59 84.98 85.15 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ARG A 24 VAL A 25 -148.84 REMARK 500 REMARK 500 REMARK: NULL DBREF 1B4O A 1 62 UNP P61991 DN71_SULSO 1 62 SEQADV 1B4O ALA A 31 UNP P61991 PHE 31 CONFLICT SEQRES 1 A 62 ALA THR VAL LYS PHE LYS TYR LYS GLY GLU GLU LYS GLN SEQRES 2 A 62 VAL ASP ILE SER LYS ILE LYS LYS VAL TRP ARG VAL GLY SEQRES 3 A 62 LYS MET ILE SER ALA THR TYR ASP GLU GLY GLY GLY LYS SEQRES 4 A 62 THR GLY ARG GLY ALA VAL SER GLU LYS ASP ALA PRO LYS SEQRES 5 A 62 GLU LEU LEU GLN MET LEU GLU LYS GLN LYS HELIX 1 H1 LYS A 52 LEU A 58 1 7 SHEET 1 A 2 SER A 30 ALA A 31 0 SHEET 2 A 2 GLY A 43 ALA A 44 -1 O GLY A 43 N ALA A 31 CISPEP 1 LEU A 58 GLU A 59 0 -8.94 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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 Single : A 1 ALA N :NH3+ -165:sc= 0.0359 (180deg=0.0102) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.516) USER MOD Single : A 6 LYS NZ :NH3+ -148:sc= 0.241 (180deg=0.0169) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 37:sc= 0.114 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.395 0.453 -11.213 1.00 0.00 N ATOM 2 CA ALA A 1 -3.702 1.482 -10.412 1.00 0.00 C ATOM 3 C ALA A 1 -2.983 0.805 -9.222 1.00 0.00 C ATOM 4 O ALA A 1 -3.625 0.380 -8.254 1.00 0.00 O ATOM 5 CB ALA A 1 -4.709 2.561 -9.972 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.661 0.852 -12.136 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.762 -0.360 -11.357 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.251 0.141 -10.711 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.939 1.985 -11.006 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.195 3.319 -9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -5.152 3.026 -10.853 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.494 2.103 -9.370 1.00 0.00 H new ATOM 13 N THR A 2 -1.644 0.695 -9.318 1.00 0.00 N ATOM 14 CA THR A 2 -0.814 -0.037 -8.318 1.00 0.00 C ATOM 15 C THR A 2 -0.300 0.904 -7.192 1.00 0.00 C ATOM 16 O THR A 2 -0.067 2.098 -7.410 1.00 0.00 O ATOM 17 CB THR A 2 0.338 -0.848 -8.989 1.00 0.00 C ATOM 18 OG1 THR A 2 1.199 -0.003 -9.749 1.00 0.00 O ATOM 19 CG2 THR A 2 -0.141 -2.014 -9.875 1.00 0.00 C ATOM 0 H THR A 2 -1.103 1.104 -10.080 1.00 0.00 H new ATOM 0 HA THR A 2 -1.465 -0.769 -7.840 1.00 0.00 H new ATOM 0 HB THR A 2 0.886 -1.286 -8.155 1.00 0.00 H new ATOM 0 HG1 THR A 2 1.911 -0.541 -10.155 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.722 -2.524 -10.302 1.00 0.00 H new ATOM 0 HG22 THR A 2 -0.716 -2.717 -9.272 1.00 0.00 H new ATOM 0 HG23 THR A 2 -0.768 -1.627 -10.678 1.00 0.00 H new ATOM 27 N VAL A 3 -0.112 0.333 -5.983 1.00 0.00 N ATOM 28 CA VAL A 3 0.381 1.082 -4.789 1.00 0.00 C ATOM 29 C VAL A 3 1.936 1.255 -4.843 1.00 0.00 C ATOM 30 O VAL A 3 2.697 0.479 -4.256 1.00 0.00 O ATOM 31 CB VAL A 3 -0.143 0.464 -3.441 1.00 0.00 C ATOM 32 CG1 VAL A 3 -1.629 0.774 -3.159 1.00 0.00 C ATOM 33 CG2 VAL A 3 0.112 -1.048 -3.228 1.00 0.00 C ATOM 0 H VAL A 3 -0.294 -0.654 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.042 2.086 -4.818 1.00 0.00 H new ATOM 0 HB VAL A 3 0.485 0.981 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.923 0.317 -2.214 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.771 1.853 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.244 0.371 -3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.295 -1.353 -2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.373 -1.614 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.184 -1.242 -3.247 1.00 0.00 H new ATOM 43 N LYS A 4 2.389 2.304 -5.559 1.00 0.00 N ATOM 44 CA LYS A 4 3.831 2.620 -5.735 1.00 0.00 C ATOM 45 C LYS A 4 4.262 3.587 -4.601 1.00 0.00 C ATOM 46 O LYS A 4 3.648 4.643 -4.404 1.00 0.00 O ATOM 47 CB LYS A 4 4.116 3.258 -7.124 1.00 0.00 C ATOM 48 CG LYS A 4 3.798 2.374 -8.354 1.00 0.00 C ATOM 49 CD LYS A 4 4.392 2.856 -9.700 1.00 0.00 C ATOM 50 CE LYS A 4 3.760 4.105 -10.352 1.00 0.00 C ATOM 51 NZ LYS A 4 4.104 5.375 -9.685 1.00 0.00 N ATOM 0 H LYS A 4 1.769 2.960 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 4 4.405 1.694 -5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.539 4.179 -7.204 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.169 3.537 -7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.163 1.366 -8.158 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.715 2.306 -8.459 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.452 3.057 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.323 2.034 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.077 4.157 -11.394 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.676 3.991 -10.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 4.024 6.157 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.451 5.538 -8.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.079 5.326 -9.327 1.00 0.00 H new ATOM 65 N PHE A 5 5.313 3.204 -3.854 1.00 0.00 N ATOM 66 CA PHE A 5 5.730 3.932 -2.621 1.00 0.00 C ATOM 67 C PHE A 5 6.963 4.812 -2.999 1.00 0.00 C ATOM 68 O PHE A 5 6.829 5.691 -3.858 1.00 0.00 O ATOM 69 CB PHE A 5 5.882 2.939 -1.415 1.00 0.00 C ATOM 70 CG PHE A 5 4.753 1.922 -1.138 1.00 0.00 C ATOM 71 CD1 PHE A 5 3.423 2.336 -1.003 1.00 0.00 C ATOM 72 CD2 PHE A 5 5.054 0.556 -1.062 1.00 0.00 C ATOM 73 CE1 PHE A 5 2.411 1.399 -0.816 1.00 0.00 C ATOM 74 CE2 PHE A 5 4.039 -0.378 -0.885 1.00 0.00 C ATOM 75 CZ PHE A 5 2.719 0.041 -0.781 1.00 0.00 C ATOM 0 H PHE A 5 5.895 2.396 -4.075 1.00 0.00 H new ATOM 0 HA PHE A 5 4.976 4.624 -2.248 1.00 0.00 H new ATOM 0 HB2 PHE A 5 6.803 2.376 -1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.017 3.535 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.181 3.388 -1.044 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.079 0.227 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.388 1.724 -0.698 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.277 -1.430 -0.828 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.929 -0.688 -0.673 1.00 0.00 H new ATOM 85 N LYS A 6 8.147 4.567 -2.400 1.00 0.00 N ATOM 86 CA LYS A 6 9.474 5.028 -2.898 1.00 0.00 C ATOM 87 C LYS A 6 9.603 6.565 -3.114 1.00 0.00 C ATOM 88 O LYS A 6 9.400 7.064 -4.227 1.00 0.00 O ATOM 89 CB LYS A 6 9.985 4.206 -4.123 1.00 0.00 C ATOM 90 CG LYS A 6 9.960 2.657 -4.054 1.00 0.00 C ATOM 91 CD LYS A 6 10.648 2.025 -2.822 1.00 0.00 C ATOM 92 CE LYS A 6 10.690 0.483 -2.792 1.00 0.00 C ATOM 93 NZ LYS A 6 9.355 -0.136 -2.670 1.00 0.00 N ATOM 0 H LYS A 6 8.216 4.031 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 6 10.149 4.816 -2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.395 4.506 -4.989 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.014 4.510 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 6 8.921 2.328 -4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.436 2.265 -4.953 1.00 0.00 H new ATOM 0 HD2 LYS A 6 11.671 2.398 -2.770 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.135 2.373 -1.925 1.00 0.00 H new ATOM 0 HE2 LYS A 6 11.168 0.122 -3.702 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.310 0.160 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.432 -1.025 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.715 0.514 -2.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.976 -0.334 -3.618 1.00 0.00 H new ATOM 107 N TYR A 7 9.940 7.302 -2.041 1.00 0.00 N ATOM 108 CA TYR A 7 10.086 8.784 -2.096 1.00 0.00 C ATOM 109 C TYR A 7 11.485 9.229 -2.624 1.00 0.00 C ATOM 110 O TYR A 7 11.542 9.925 -3.642 1.00 0.00 O ATOM 111 CB TYR A 7 9.728 9.442 -0.729 1.00 0.00 C ATOM 112 CG TYR A 7 8.296 9.292 -0.152 1.00 0.00 C ATOM 113 CD1 TYR A 7 7.150 9.229 -0.964 1.00 0.00 C ATOM 114 CD2 TYR A 7 8.137 9.287 1.239 1.00 0.00 C ATOM 115 CE1 TYR A 7 5.884 9.143 -0.389 1.00 0.00 C ATOM 116 CE2 TYR A 7 6.871 9.212 1.809 1.00 0.00 C ATOM 117 CZ TYR A 7 5.742 9.137 0.993 1.00 0.00 C ATOM 118 OH TYR A 7 4.496 9.074 1.559 1.00 0.00 O ATOM 0 H TYR A 7 10.119 6.903 -1.119 1.00 0.00 H new ATOM 0 HA TYR A 7 9.364 9.148 -2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 7 10.421 9.046 0.014 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.932 10.509 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 7 7.252 9.247 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 7 9.007 9.342 1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.010 9.081 -1.020 1.00 0.00 H new ATOM 0 HE2 TYR A 7 6.762 9.212 2.883 1.00 0.00 H new ATOM 0 HH TYR A 7 4.580 9.078 2.535 1.00 0.00 H new ATOM 128 N LYS A 8 12.589 8.858 -1.939 1.00 0.00 N ATOM 129 CA LYS A 8 13.942 9.420 -2.215 1.00 0.00 C ATOM 130 C LYS A 8 14.811 8.499 -3.126 1.00 0.00 C ATOM 131 O LYS A 8 15.189 8.930 -4.219 1.00 0.00 O ATOM 132 CB LYS A 8 14.680 9.788 -0.896 1.00 0.00 C ATOM 133 CG LYS A 8 14.009 10.862 -0.009 1.00 0.00 C ATOM 134 CD LYS A 8 14.826 11.143 1.266 1.00 0.00 C ATOM 135 CE LYS A 8 14.224 12.253 2.146 1.00 0.00 C ATOM 136 NZ LYS A 8 15.013 12.419 3.379 1.00 0.00 N ATOM 0 H LYS A 8 12.575 8.169 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 8 13.786 10.339 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 8 14.795 8.880 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.682 10.132 -1.150 1.00 0.00 H new ATOM 0 HG2 LYS A 8 13.895 11.784 -0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.007 10.532 0.267 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.900 10.226 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.841 11.424 0.984 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.201 13.192 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.193 12.006 2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.593 13.172 3.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.013 11.527 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.991 12.676 3.134 1.00 0.00 H new ATOM 150 N GLY A 9 15.169 7.280 -2.668 1.00 0.00 N ATOM 151 CA GLY A 9 16.269 6.487 -3.270 1.00 0.00 C ATOM 152 C GLY A 9 15.837 5.260 -4.092 1.00 0.00 C ATOM 153 O GLY A 9 16.036 5.238 -5.310 1.00 0.00 O ATOM 0 H GLY A 9 14.712 6.820 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.855 7.144 -3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.929 6.151 -2.470 1.00 0.00 H new ATOM 157 N GLU A 10 15.307 4.227 -3.409 1.00 0.00 N ATOM 158 CA GLU A 10 15.130 2.863 -3.981 1.00 0.00 C ATOM 159 C GLU A 10 14.120 2.800 -5.173 1.00 0.00 C ATOM 160 O GLU A 10 13.086 3.471 -5.180 1.00 0.00 O ATOM 161 CB GLU A 10 14.768 1.923 -2.790 1.00 0.00 C ATOM 162 CG GLU A 10 14.693 0.404 -3.064 1.00 0.00 C ATOM 163 CD GLU A 10 16.031 -0.216 -3.485 1.00 0.00 C ATOM 164 OE1 GLU A 10 16.909 -0.544 -2.689 1.00 0.00 O ATOM 165 OE2 GLU A 10 16.136 -0.344 -4.845 1.00 0.00 O ATOM 0 H GLU A 10 14.987 4.307 -2.444 1.00 0.00 H new ATOM 0 HA GLU A 10 16.056 2.530 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.503 2.085 -2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.802 2.240 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.336 -0.100 -2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 10 13.956 0.221 -3.846 1.00 0.00 H new ATOM 173 N GLU A 11 14.476 1.999 -6.191 1.00 0.00 N ATOM 174 CA GLU A 11 13.749 1.928 -7.492 1.00 0.00 C ATOM 175 C GLU A 11 12.378 1.177 -7.500 1.00 0.00 C ATOM 176 O GLU A 11 11.499 1.559 -8.279 1.00 0.00 O ATOM 177 CB GLU A 11 14.744 1.306 -8.521 1.00 0.00 C ATOM 178 CG GLU A 11 14.326 1.279 -10.011 1.00 0.00 C ATOM 179 CD GLU A 11 14.203 2.658 -10.669 1.00 0.00 C ATOM 180 OE1 GLU A 11 15.173 3.335 -11.008 1.00 0.00 O ATOM 181 OE2 GLU A 11 12.896 3.039 -10.837 1.00 0.00 O ATOM 0 H GLU A 11 15.281 1.374 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 11 13.446 2.944 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.685 1.852 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.946 0.280 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.055 0.690 -10.568 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.369 0.765 -10.096 1.00 0.00 H new ATOM 189 N LYS A 12 12.219 0.087 -6.722 1.00 0.00 N ATOM 190 CA LYS A 12 11.248 -0.997 -7.030 1.00 0.00 C ATOM 191 C LYS A 12 9.764 -0.579 -6.803 1.00 0.00 C ATOM 192 O LYS A 12 9.382 -0.164 -5.707 1.00 0.00 O ATOM 193 CB LYS A 12 11.587 -2.264 -6.187 1.00 0.00 C ATOM 194 CG LYS A 12 12.865 -3.058 -6.564 1.00 0.00 C ATOM 195 CD LYS A 12 14.199 -2.482 -6.035 1.00 0.00 C ATOM 196 CE LYS A 12 15.470 -3.269 -6.410 1.00 0.00 C ATOM 197 NZ LYS A 12 15.558 -4.596 -5.773 1.00 0.00 N ATOM 0 H LYS A 12 12.753 -0.072 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 12 11.346 -1.216 -8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.676 -1.959 -5.144 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.738 -2.945 -6.248 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.759 -4.077 -6.192 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.924 -3.120 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 12 14.304 -1.462 -6.406 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.140 -2.421 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.503 -3.393 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.345 -2.683 -6.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 16.437 -5.066 -6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.558 -4.485 -4.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.742 -5.173 -6.060 1.00 0.00 H new ATOM 211 N GLN A 13 8.930 -0.734 -7.847 1.00 0.00 N ATOM 212 CA GLN A 13 7.457 -0.532 -7.752 1.00 0.00 C ATOM 213 C GLN A 13 6.741 -1.775 -7.140 1.00 0.00 C ATOM 214 O GLN A 13 7.044 -2.916 -7.508 1.00 0.00 O ATOM 215 CB GLN A 13 6.868 -0.136 -9.134 1.00 0.00 C ATOM 216 CG GLN A 13 6.988 -1.154 -10.296 1.00 0.00 C ATOM 217 CD GLN A 13 6.370 -0.639 -11.606 1.00 0.00 C ATOM 218 OE1 GLN A 13 5.163 -0.731 -11.823 1.00 0.00 O ATOM 219 NE2 GLN A 13 7.183 -0.093 -12.499 1.00 0.00 N ATOM 0 H GLN A 13 9.247 -1.001 -8.779 1.00 0.00 H new ATOM 0 HA GLN A 13 7.273 0.296 -7.067 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.810 0.088 -8.994 1.00 0.00 H new ATOM 0 HB3 GLN A 13 7.350 0.789 -9.450 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.040 -1.386 -10.463 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.498 -2.085 -10.010 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.182 -0.024 -12.304 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.810 0.258 -13.381 1.00 0.00 H new ATOM 228 N VAL A 14 5.789 -1.535 -6.217 1.00 0.00 N ATOM 229 CA VAL A 14 5.038 -2.624 -5.522 1.00 0.00 C ATOM 230 C VAL A 14 3.623 -2.724 -6.175 1.00 0.00 C ATOM 231 O VAL A 14 2.890 -1.735 -6.295 1.00 0.00 O ATOM 232 CB VAL A 14 4.996 -2.414 -3.968 1.00 0.00 C ATOM 233 CG1 VAL A 14 4.192 -3.511 -3.224 1.00 0.00 C ATOM 234 CG2 VAL A 14 6.405 -2.360 -3.328 1.00 0.00 C ATOM 0 H VAL A 14 5.514 -0.596 -5.928 1.00 0.00 H new ATOM 0 HA VAL A 14 5.551 -3.577 -5.650 1.00 0.00 H new ATOM 0 HB VAL A 14 4.497 -1.452 -3.852 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.202 -3.307 -2.153 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.163 -3.514 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.645 -4.484 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 14 6.311 -2.213 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 14 6.929 -3.296 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.969 -1.533 -3.759 1.00 0.00 H new ATOM 244 N ASP A 15 3.250 -3.962 -6.547 1.00 0.00 N ATOM 245 CA ASP A 15 1.935 -4.278 -7.169 1.00 0.00 C ATOM 246 C ASP A 15 0.782 -4.345 -6.122 1.00 0.00 C ATOM 247 O ASP A 15 0.979 -4.700 -4.953 1.00 0.00 O ATOM 248 CB ASP A 15 2.031 -5.621 -7.948 1.00 0.00 C ATOM 249 CG ASP A 15 2.938 -5.588 -9.188 1.00 0.00 C ATOM 250 OD1 ASP A 15 2.486 -5.113 -10.253 1.00 0.00 O ATOM 251 OD2 ASP A 15 4.106 -6.025 -9.096 1.00 0.00 O ATOM 0 H ASP A 15 3.848 -4.779 -6.428 1.00 0.00 H new ATOM 0 HA ASP A 15 1.695 -3.467 -7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.396 -6.392 -7.270 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.029 -5.917 -8.257 1.00 0.00 H new ATOM 256 N ILE A 16 -0.442 -4.040 -6.596 1.00 0.00 N ATOM 257 CA ILE A 16 -1.699 -4.149 -5.787 1.00 0.00 C ATOM 258 C ILE A 16 -2.169 -5.608 -5.422 1.00 0.00 C ATOM 259 O ILE A 16 -3.024 -5.752 -4.546 1.00 0.00 O ATOM 260 CB ILE A 16 -2.808 -3.240 -6.445 1.00 0.00 C ATOM 261 CG1 ILE A 16 -3.599 -2.329 -5.463 1.00 0.00 C ATOM 262 CG2 ILE A 16 -3.733 -3.928 -7.479 1.00 0.00 C ATOM 263 CD1 ILE A 16 -4.468 -3.002 -4.389 1.00 0.00 C ATOM 0 H ILE A 16 -0.600 -3.710 -7.548 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.476 -3.768 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.185 -2.567 -7.034 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.881 -1.685 -4.955 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -4.245 -1.681 -6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.453 -3.204 -7.861 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.133 -4.314 -8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.265 -4.751 -7.001 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.955 -2.238 -3.784 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.225 -3.622 -4.869 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.841 -3.625 -3.751 1.00 0.00 H new ATOM 275 N SER A 17 -1.633 -6.677 -6.050 1.00 0.00 N ATOM 276 CA SER A 17 -1.914 -8.085 -5.655 1.00 0.00 C ATOM 277 C SER A 17 -1.300 -8.516 -4.285 1.00 0.00 C ATOM 278 O SER A 17 -2.032 -9.054 -3.450 1.00 0.00 O ATOM 279 CB SER A 17 -1.534 -9.039 -6.813 1.00 0.00 C ATOM 280 OG SER A 17 -0.136 -9.038 -7.092 1.00 0.00 O ATOM 0 H SER A 17 -0.996 -6.595 -6.842 1.00 0.00 H new ATOM 0 HA SER A 17 -2.987 -8.154 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.849 -10.052 -6.562 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.079 -8.749 -7.711 1.00 0.00 H new ATOM 0 HG SER A 17 0.051 -9.657 -7.829 1.00 0.00 H new ATOM 286 N LYS A 18 0.013 -8.288 -4.052 1.00 0.00 N ATOM 287 CA LYS A 18 0.725 -8.764 -2.833 1.00 0.00 C ATOM 288 C LYS A 18 0.634 -7.695 -1.714 1.00 0.00 C ATOM 289 O LYS A 18 1.322 -6.671 -1.771 1.00 0.00 O ATOM 290 CB LYS A 18 2.205 -9.099 -3.180 1.00 0.00 C ATOM 291 CG LYS A 18 2.434 -10.304 -4.122 1.00 0.00 C ATOM 292 CD LYS A 18 2.112 -11.673 -3.479 1.00 0.00 C ATOM 293 CE LYS A 18 2.085 -12.857 -4.462 1.00 0.00 C ATOM 294 NZ LYS A 18 3.424 -13.324 -4.863 1.00 0.00 N ATOM 0 H LYS A 18 0.611 -7.772 -4.698 1.00 0.00 H new ATOM 0 HA LYS A 18 0.250 -9.674 -2.467 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.657 -8.218 -3.636 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.740 -9.286 -2.249 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.818 -10.178 -5.013 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.473 -10.303 -4.450 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.852 -11.878 -2.705 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.143 -11.607 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.543 -13.685 -4.005 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.529 -12.565 -5.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.330 -14.121 -5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.938 -12.548 -5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.951 -13.633 -4.021 1.00 0.00 H new ATOM 308 N ILE A 19 -0.271 -7.925 -0.744 1.00 0.00 N ATOM 309 CA ILE A 19 -0.717 -6.882 0.223 1.00 0.00 C ATOM 310 C ILE A 19 -1.024 -7.616 1.566 1.00 0.00 C ATOM 311 O ILE A 19 -1.935 -8.450 1.627 1.00 0.00 O ATOM 312 CB ILE A 19 -1.954 -6.071 -0.328 1.00 0.00 C ATOM 313 CG1 ILE A 19 -1.712 -5.300 -1.661 1.00 0.00 C ATOM 314 CG2 ILE A 19 -2.575 -5.106 0.708 1.00 0.00 C ATOM 315 CD1 ILE A 19 -0.687 -4.155 -1.646 1.00 0.00 C ATOM 0 H ILE A 19 -0.717 -8.831 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 19 0.060 -6.134 0.380 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.663 -6.870 -0.545 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.397 -6.022 -2.414 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.667 -4.891 -1.991 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.419 -4.584 0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.918 -5.673 1.573 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.826 -4.380 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.623 -3.711 -2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.000 -3.396 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.290 -4.545 -1.359 1.00 0.00 H new ATOM 327 N LYS A 20 -0.320 -7.236 2.653 1.00 0.00 N ATOM 328 CA LYS A 20 -0.706 -7.625 4.045 1.00 0.00 C ATOM 329 C LYS A 20 -1.848 -6.795 4.724 1.00 0.00 C ATOM 330 O LYS A 20 -2.448 -7.317 5.669 1.00 0.00 O ATOM 331 CB LYS A 20 0.547 -7.715 4.971 1.00 0.00 C ATOM 332 CG LYS A 20 1.112 -9.139 5.172 1.00 0.00 C ATOM 333 CD LYS A 20 0.201 -10.084 5.987 1.00 0.00 C ATOM 334 CE LYS A 20 0.881 -11.410 6.368 1.00 0.00 C ATOM 335 NZ LYS A 20 -0.011 -12.234 7.203 1.00 0.00 N ATOM 0 H LYS A 20 0.520 -6.660 2.604 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.153 -8.611 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.333 -7.084 4.555 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.289 -7.302 5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.293 -9.585 4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.077 -9.065 5.673 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.119 -9.574 6.896 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.698 -10.298 5.409 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.151 -11.958 5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.807 -11.208 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.468 -13.124 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.248 -11.716 8.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.883 -12.444 6.677 1.00 0.00 H new ATOM 349 N LYS A 21 -2.166 -5.559 4.272 1.00 0.00 N ATOM 350 CA LYS A 21 -3.376 -4.788 4.679 1.00 0.00 C ATOM 351 C LYS A 21 -3.189 -4.084 6.054 1.00 0.00 C ATOM 352 O LYS A 21 -3.245 -4.733 7.104 1.00 0.00 O ATOM 353 CB LYS A 21 -4.718 -5.581 4.546 1.00 0.00 C ATOM 354 CG LYS A 21 -6.039 -4.775 4.513 1.00 0.00 C ATOM 355 CD LYS A 21 -6.577 -4.305 5.885 1.00 0.00 C ATOM 356 CE LYS A 21 -7.967 -3.639 5.857 1.00 0.00 C ATOM 357 NZ LYS A 21 -9.056 -4.582 5.535 1.00 0.00 N ATOM 0 H LYS A 21 -1.582 -5.057 3.603 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.479 -3.989 3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.666 -6.174 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.775 -6.282 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.892 -3.898 3.882 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.804 -5.387 4.035 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.618 -5.165 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.864 -3.601 6.314 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.164 -3.183 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.963 -2.834 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.964 -4.075 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.888 -4.999 4.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.084 -5.337 6.249 1.00 0.00 H new ATOM 371 N VAL A 22 -3.044 -2.746 6.032 1.00 0.00 N ATOM 372 CA VAL A 22 -3.318 -1.870 7.210 1.00 0.00 C ATOM 373 C VAL A 22 -4.283 -0.775 6.652 1.00 0.00 C ATOM 374 O VAL A 22 -5.503 -0.932 6.769 1.00 0.00 O ATOM 375 CB VAL A 22 -2.014 -1.385 7.946 1.00 0.00 C ATOM 376 CG1 VAL A 22 -2.289 -0.350 9.065 1.00 0.00 C ATOM 377 CG2 VAL A 22 -1.199 -2.540 8.575 1.00 0.00 C ATOM 0 H VAL A 22 -2.735 -2.234 5.206 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.800 -2.387 8.040 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.436 -0.919 7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.347 -0.059 9.531 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.770 0.530 8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.944 -0.792 9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.314 -2.135 9.066 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.814 -3.062 9.308 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.894 -3.237 7.795 1.00 0.00 H new ATOM 387 N TRP A 23 -3.750 0.295 6.021 1.00 0.00 N ATOM 388 CA TRP A 23 -4.535 1.275 5.204 1.00 0.00 C ATOM 389 C TRP A 23 -5.657 2.092 5.940 1.00 0.00 C ATOM 390 O TRP A 23 -6.734 2.313 5.374 1.00 0.00 O ATOM 391 CB TRP A 23 -5.057 0.661 3.861 1.00 0.00 C ATOM 392 CG TRP A 23 -4.132 -0.226 3.011 1.00 0.00 C ATOM 393 CD1 TRP A 23 -4.481 -1.514 2.558 1.00 0.00 C ATOM 394 CD2 TRP A 23 -2.848 -0.006 2.537 1.00 0.00 C ATOM 395 NE1 TRP A 23 -3.450 -2.110 1.821 1.00 0.00 N ATOM 396 CE2 TRP A 23 -2.441 -1.166 1.830 1.00 0.00 C ATOM 397 CE3 TRP A 23 -1.956 1.086 2.696 1.00 0.00 C ATOM 398 CZ2 TRP A 23 -1.130 -1.258 1.306 1.00 0.00 C ATOM 399 CZ3 TRP A 23 -0.672 0.972 2.163 1.00 0.00 C ATOM 400 CH2 TRP A 23 -0.264 -0.182 1.491 1.00 0.00 C ATOM 0 H TRP A 23 -2.754 0.513 6.059 1.00 0.00 H new ATOM 0 HA TRP A 23 -3.783 2.031 4.979 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -5.944 0.073 4.096 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -5.382 1.489 3.231 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -5.432 -1.986 2.756 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -3.445 -3.029 1.379 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -2.263 1.982 3.216 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -0.808 -2.142 0.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 0.021 1.793 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 23 0.744 -0.242 1.107 1.00 0.00 H new ATOM 411 N ARG A 24 -5.419 2.562 7.182 1.00 0.00 N ATOM 412 CA ARG A 24 -6.425 3.354 7.947 1.00 0.00 C ATOM 413 C ARG A 24 -5.724 4.458 8.782 1.00 0.00 C ATOM 414 O ARG A 24 -5.881 5.638 8.459 1.00 0.00 O ATOM 415 CB ARG A 24 -7.403 2.496 8.813 1.00 0.00 C ATOM 416 CG ARG A 24 -8.368 1.552 8.055 1.00 0.00 C ATOM 417 CD ARG A 24 -9.494 0.929 8.916 1.00 0.00 C ATOM 418 NE ARG A 24 -10.516 1.894 9.409 1.00 0.00 N ATOM 419 CZ ARG A 24 -11.503 2.424 8.659 1.00 0.00 C ATOM 420 NH1 ARG A 24 -11.694 2.141 7.371 1.00 0.00 N ATOM 421 NH2 ARG A 24 -12.330 3.275 9.237 1.00 0.00 N ATOM 0 H ARG A 24 -4.543 2.411 7.682 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.067 3.827 7.204 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.808 1.893 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.001 3.174 9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.824 2.107 7.235 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.786 0.746 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.996 0.159 8.329 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.042 0.432 9.774 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.465 2.175 10.388 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.072 1.487 6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.462 2.578 6.861 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.211 3.513 10.222 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.088 3.695 8.699 1.00 0.00 H new ATOM 435 N VAL A 25 -5.026 4.103 9.887 1.00 0.00 N ATOM 436 CA VAL A 25 -4.908 5.000 11.071 1.00 0.00 C ATOM 437 C VAL A 25 -3.978 6.237 10.842 1.00 0.00 C ATOM 438 O VAL A 25 -2.789 6.103 10.529 1.00 0.00 O ATOM 439 CB VAL A 25 -4.578 4.163 12.358 1.00 0.00 C ATOM 440 CG1 VAL A 25 -3.165 3.531 12.405 1.00 0.00 C ATOM 441 CG2 VAL A 25 -4.846 4.950 13.664 1.00 0.00 C ATOM 0 H VAL A 25 -4.539 3.212 9.987 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.882 5.462 11.234 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.275 3.328 12.286 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.045 2.977 13.336 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.041 2.853 11.560 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.413 4.318 12.352 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.601 4.325 14.522 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.228 5.848 13.681 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.898 5.233 13.709 1.00 0.00 H new ATOM 451 N GLY A 26 -4.562 7.429 11.052 1.00 0.00 N ATOM 452 CA GLY A 26 -3.793 8.673 11.244 1.00 0.00 C ATOM 453 C GLY A 26 -3.242 9.349 9.973 1.00 0.00 C ATOM 454 O GLY A 26 -3.686 9.112 8.843 1.00 0.00 O ATOM 0 H GLY A 26 -5.573 7.558 11.093 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.430 9.390 11.762 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.954 8.456 11.905 1.00 0.00 H new ATOM 458 N LYS A 27 -2.245 10.207 10.220 1.00 0.00 N ATOM 459 CA LYS A 27 -1.487 10.931 9.160 1.00 0.00 C ATOM 460 C LYS A 27 -0.422 10.015 8.476 1.00 0.00 C ATOM 461 O LYS A 27 -0.429 9.898 7.246 1.00 0.00 O ATOM 462 CB LYS A 27 -0.863 12.227 9.751 1.00 0.00 C ATOM 463 CG LYS A 27 -1.875 13.284 10.265 1.00 0.00 C ATOM 464 CD LYS A 27 -1.249 14.531 10.931 1.00 0.00 C ATOM 465 CE LYS A 27 -0.488 14.308 12.258 1.00 0.00 C ATOM 466 NZ LYS A 27 -1.339 13.836 13.369 1.00 0.00 N ATOM 0 H LYS A 27 -1.929 10.429 11.164 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.181 11.219 8.371 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.205 11.949 10.575 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.239 12.690 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.491 13.611 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.542 12.806 10.983 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.562 14.987 10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.045 15.253 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.308 13.582 12.090 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.010 15.243 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.758 13.710 14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.084 14.537 13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.775 12.928 13.110 1.00 0.00 H new ATOM 480 N MET A 28 0.454 9.350 9.265 1.00 0.00 N ATOM 481 CA MET A 28 1.394 8.315 8.762 1.00 0.00 C ATOM 482 C MET A 28 0.639 6.963 8.624 1.00 0.00 C ATOM 483 O MET A 28 0.241 6.348 9.620 1.00 0.00 O ATOM 484 CB MET A 28 2.601 8.165 9.727 1.00 0.00 C ATOM 485 CG MET A 28 3.559 9.366 9.779 1.00 0.00 C ATOM 486 SD MET A 28 4.889 9.002 10.943 1.00 0.00 S ATOM 487 CE MET A 28 5.656 10.626 11.079 1.00 0.00 C ATOM 0 H MET A 28 0.531 9.514 10.269 1.00 0.00 H new ATOM 0 HA MET A 28 1.776 8.617 7.787 1.00 0.00 H new ATOM 0 HB2 MET A 28 2.220 7.982 10.732 1.00 0.00 H new ATOM 0 HB3 MET A 28 3.169 7.281 9.436 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.969 9.565 8.789 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.023 10.263 10.088 1.00 0.00 H new ATOM 0 HE1 MET A 28 6.501 10.573 11.766 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.006 10.946 10.098 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.926 11.343 11.456 1.00 0.00 H new ATOM 497 N ILE A 29 0.437 6.536 7.366 1.00 0.00 N ATOM 498 CA ILE A 29 -0.343 5.312 7.035 1.00 0.00 C ATOM 499 C ILE A 29 0.719 4.242 6.637 1.00 0.00 C ATOM 500 O ILE A 29 1.416 4.373 5.621 1.00 0.00 O ATOM 501 CB ILE A 29 -1.444 5.613 5.956 1.00 0.00 C ATOM 502 CG1 ILE A 29 -2.501 6.647 6.462 1.00 0.00 C ATOM 503 CG2 ILE A 29 -2.159 4.319 5.490 1.00 0.00 C ATOM 504 CD1 ILE A 29 -3.395 7.269 5.381 1.00 0.00 C ATOM 0 H ILE A 29 0.804 7.021 6.547 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.929 4.931 7.872 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.921 6.050 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.139 6.156 7.197 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.977 7.450 6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.913 4.569 4.744 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.429 3.637 5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.638 3.840 6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.090 7.970 5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.775 7.796 4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.956 6.483 4.876 1.00 0.00 H new ATOM 516 N SER A 30 0.819 3.189 7.470 1.00 0.00 N ATOM 517 CA SER A 30 1.859 2.137 7.340 1.00 0.00 C ATOM 518 C SER A 30 1.635 1.243 6.089 1.00 0.00 C ATOM 519 O SER A 30 0.571 0.633 5.929 1.00 0.00 O ATOM 520 CB SER A 30 1.863 1.298 8.639 1.00 0.00 C ATOM 521 OG SER A 30 2.957 0.386 8.653 1.00 0.00 O ATOM 0 H SER A 30 0.184 3.039 8.254 1.00 0.00 H new ATOM 0 HA SER A 30 2.831 2.610 7.199 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.925 1.959 9.503 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.925 0.749 8.724 1.00 0.00 H new ATOM 0 HG SER A 30 2.940 -0.132 9.484 1.00 0.00 H new ATOM 527 N ALA A 31 2.657 1.189 5.213 1.00 0.00 N ATOM 528 CA ALA A 31 2.610 0.373 3.979 1.00 0.00 C ATOM 529 C ALA A 31 3.144 -1.050 4.256 1.00 0.00 C ATOM 530 O ALA A 31 4.299 -1.229 4.656 1.00 0.00 O ATOM 531 CB ALA A 31 3.398 1.054 2.849 1.00 0.00 C ATOM 0 H ALA A 31 3.530 1.702 5.336 1.00 0.00 H new ATOM 0 HA ALA A 31 1.573 0.288 3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.351 0.438 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.965 2.032 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.438 1.175 3.152 1.00 0.00 H new ATOM 537 N THR A 32 2.264 -2.046 4.067 1.00 0.00 N ATOM 538 CA THR A 32 2.549 -3.462 4.422 1.00 0.00 C ATOM 539 C THR A 32 2.258 -4.334 3.171 1.00 0.00 C ATOM 540 O THR A 32 1.131 -4.354 2.659 1.00 0.00 O ATOM 541 CB THR A 32 1.744 -3.928 5.673 1.00 0.00 C ATOM 542 OG1 THR A 32 0.340 -3.776 5.474 1.00 0.00 O ATOM 543 CG2 THR A 32 2.138 -3.213 6.979 1.00 0.00 C ATOM 0 H THR A 32 1.337 -1.903 3.666 1.00 0.00 H new ATOM 0 HA THR A 32 3.596 -3.569 4.705 1.00 0.00 H new ATOM 0 HB THR A 32 2.001 -4.981 5.787 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.117 -3.984 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.531 -3.595 7.800 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.192 -3.396 7.190 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.970 -2.141 6.872 1.00 0.00 H new ATOM 551 N TYR A 33 3.293 -5.052 2.699 1.00 0.00 N ATOM 552 CA TYR A 33 3.184 -5.986 1.546 1.00 0.00 C ATOM 553 C TYR A 33 3.808 -7.359 1.912 1.00 0.00 C ATOM 554 O TYR A 33 4.894 -7.424 2.500 1.00 0.00 O ATOM 555 CB TYR A 33 3.761 -5.379 0.234 1.00 0.00 C ATOM 556 CG TYR A 33 5.269 -5.063 0.146 1.00 0.00 C ATOM 557 CD1 TYR A 33 6.171 -6.046 -0.276 1.00 0.00 C ATOM 558 CD2 TYR A 33 5.738 -3.769 0.406 1.00 0.00 C ATOM 559 CE1 TYR A 33 7.518 -5.737 -0.449 1.00 0.00 C ATOM 560 CE2 TYR A 33 7.082 -3.459 0.221 1.00 0.00 C ATOM 561 CZ TYR A 33 7.971 -4.441 -0.214 1.00 0.00 C ATOM 562 OH TYR A 33 9.292 -4.132 -0.412 1.00 0.00 O ATOM 0 H TYR A 33 4.230 -5.007 3.100 1.00 0.00 H new ATOM 0 HA TYR A 33 2.127 -6.152 1.336 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.523 -6.067 -0.577 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.220 -4.453 0.036 1.00 0.00 H new ATOM 0 HD1 TYR A 33 5.821 -7.049 -0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.054 -3.008 0.752 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.211 -6.502 -0.765 1.00 0.00 H new ATOM 0 HE2 TYR A 33 7.437 -2.457 0.414 1.00 0.00 H new ATOM 0 HH TYR A 33 9.441 -3.186 -0.204 1.00 0.00 H new ATOM 572 N ASP A 34 3.138 -8.456 1.500 1.00 0.00 N ATOM 573 CA ASP A 34 3.671 -9.832 1.680 1.00 0.00 C ATOM 574 C ASP A 34 4.738 -10.126 0.588 1.00 0.00 C ATOM 575 O ASP A 34 4.417 -10.230 -0.600 1.00 0.00 O ATOM 576 CB ASP A 34 2.520 -10.876 1.662 1.00 0.00 C ATOM 577 CG ASP A 34 2.934 -12.242 2.232 1.00 0.00 C ATOM 578 OD1 ASP A 34 2.941 -12.405 3.471 1.00 0.00 O ATOM 579 OD2 ASP A 34 3.274 -13.152 1.440 1.00 0.00 O ATOM 0 H ASP A 34 2.228 -8.420 1.041 1.00 0.00 H new ATOM 0 HA ASP A 34 4.153 -9.908 2.655 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.678 -10.490 2.237 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.173 -11.007 0.637 1.00 0.00 H new ATOM 584 N GLU A 35 6.005 -10.257 1.015 1.00 0.00 N ATOM 585 CA GLU A 35 7.146 -10.500 0.092 1.00 0.00 C ATOM 586 C GLU A 35 7.229 -11.992 -0.360 1.00 0.00 C ATOM 587 O GLU A 35 7.113 -12.253 -1.561 1.00 0.00 O ATOM 588 CB GLU A 35 8.437 -9.916 0.732 1.00 0.00 C ATOM 589 CG GLU A 35 9.642 -9.730 -0.215 1.00 0.00 C ATOM 590 CD GLU A 35 10.453 -11.007 -0.467 1.00 0.00 C ATOM 591 OE1 GLU A 35 11.218 -11.494 0.365 1.00 0.00 O ATOM 592 OE2 GLU A 35 10.221 -11.541 -1.710 1.00 0.00 O ATOM 0 H GLU A 35 6.274 -10.200 1.997 1.00 0.00 H new ATOM 0 HA GLU A 35 6.998 -9.971 -0.850 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.194 -8.949 1.172 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.741 -10.570 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.282 -9.348 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.303 -8.971 0.203 1.00 0.00 H new ATOM 600 N GLY A 36 7.417 -12.941 0.579 1.00 0.00 N ATOM 601 CA GLY A 36 7.423 -14.390 0.275 1.00 0.00 C ATOM 602 C GLY A 36 6.633 -15.171 1.339 1.00 0.00 C ATOM 603 O GLY A 36 5.433 -15.400 1.166 1.00 0.00 O ATOM 0 H GLY A 36 7.568 -12.728 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.986 -14.562 -0.709 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.450 -14.755 0.236 1.00 0.00 H new ATOM 607 N GLY A 37 7.315 -15.567 2.429 1.00 0.00 N ATOM 608 CA GLY A 37 6.681 -16.301 3.550 1.00 0.00 C ATOM 609 C GLY A 37 6.019 -15.350 4.565 1.00 0.00 C ATOM 610 O GLY A 37 4.825 -15.056 4.447 1.00 0.00 O ATOM 0 H GLY A 37 8.311 -15.392 2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.932 -16.988 3.155 1.00 0.00 H new ATOM 0 HA3 GLY A 37 7.432 -16.906 4.057 1.00 0.00 H new ATOM 614 N GLY A 38 6.817 -14.866 5.530 1.00 0.00 N ATOM 615 CA GLY A 38 6.397 -13.781 6.444 1.00 0.00 C ATOM 616 C GLY A 38 7.553 -12.803 6.720 1.00 0.00 C ATOM 617 O GLY A 38 8.136 -12.827 7.808 1.00 0.00 O ATOM 0 H GLY A 38 7.762 -15.208 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.557 -13.240 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.048 -14.209 7.384 1.00 0.00 H new ATOM 621 N LYS A 39 7.858 -11.943 5.731 1.00 0.00 N ATOM 622 CA LYS A 39 8.861 -10.853 5.869 1.00 0.00 C ATOM 623 C LYS A 39 8.231 -9.624 5.166 1.00 0.00 C ATOM 624 O LYS A 39 8.199 -9.547 3.933 1.00 0.00 O ATOM 625 CB LYS A 39 10.246 -11.221 5.265 1.00 0.00 C ATOM 626 CG LYS A 39 11.055 -12.260 6.075 1.00 0.00 C ATOM 627 CD LYS A 39 12.434 -12.570 5.462 1.00 0.00 C ATOM 628 CE LYS A 39 13.241 -13.580 6.302 1.00 0.00 C ATOM 629 NZ LYS A 39 14.517 -13.926 5.655 1.00 0.00 N ATOM 0 H LYS A 39 7.420 -11.978 4.811 1.00 0.00 H new ATOM 0 HA LYS A 39 9.075 -10.655 6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.095 -11.606 4.256 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.839 -10.311 5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.191 -11.892 7.092 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.480 -13.183 6.145 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.300 -12.965 4.455 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.002 -11.645 5.368 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.435 -13.160 7.289 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.651 -14.484 6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.033 -14.607 6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.330 -14.349 4.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.090 -13.066 5.536 1.00 0.00 H new ATOM 643 N THR A 40 7.692 -8.682 5.962 1.00 0.00 N ATOM 644 CA THR A 40 6.894 -7.539 5.438 1.00 0.00 C ATOM 645 C THR A 40 7.791 -6.292 5.225 1.00 0.00 C ATOM 646 O THR A 40 8.587 -5.920 6.096 1.00 0.00 O ATOM 647 CB THR A 40 5.675 -7.205 6.346 1.00 0.00 C ATOM 648 OG1 THR A 40 6.082 -6.903 7.678 1.00 0.00 O ATOM 649 CG2 THR A 40 4.614 -8.316 6.389 1.00 0.00 C ATOM 0 H THR A 40 7.791 -8.684 6.977 1.00 0.00 H new ATOM 0 HA THR A 40 6.493 -7.843 4.471 1.00 0.00 H new ATOM 0 HB THR A 40 5.218 -6.328 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.294 -6.696 8.222 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.795 -8.012 7.041 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.231 -8.492 5.384 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.062 -9.233 6.772 1.00 0.00 H new ATOM 657 N GLY A 41 7.622 -5.639 4.063 1.00 0.00 N ATOM 658 CA GLY A 41 8.371 -4.413 3.724 1.00 0.00 C ATOM 659 C GLY A 41 7.645 -3.144 4.206 1.00 0.00 C ATOM 660 O GLY A 41 6.633 -2.747 3.619 1.00 0.00 O ATOM 0 H GLY A 41 6.970 -5.940 3.338 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.362 -4.457 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.514 -4.362 2.645 1.00 0.00 H new ATOM 664 N ARG A 42 8.189 -2.515 5.265 1.00 0.00 N ATOM 665 CA ARG A 42 7.626 -1.264 5.845 1.00 0.00 C ATOM 666 C ARG A 42 7.878 -0.037 4.914 1.00 0.00 C ATOM 667 O ARG A 42 8.966 0.115 4.345 1.00 0.00 O ATOM 668 CB ARG A 42 8.240 -0.966 7.242 1.00 0.00 C ATOM 669 CG ARG A 42 7.945 -1.982 8.370 1.00 0.00 C ATOM 670 CD ARG A 42 8.600 -1.553 9.697 1.00 0.00 C ATOM 671 NE ARG A 42 8.361 -2.527 10.790 1.00 0.00 N ATOM 672 CZ ARG A 42 8.808 -2.368 12.054 1.00 0.00 C ATOM 673 NH1 ARG A 42 9.509 -1.311 12.467 1.00 0.00 N ATOM 674 NH2 ARG A 42 8.540 -3.314 12.938 1.00 0.00 N ATOM 0 H ARG A 42 9.024 -2.850 5.745 1.00 0.00 H new ATOM 0 HA ARG A 42 6.552 -1.422 5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.321 -0.891 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.885 0.012 7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.868 -2.073 8.507 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.314 -2.966 8.081 1.00 0.00 H new ATOM 0 HD2 ARG A 42 9.673 -1.436 9.547 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.211 -0.578 9.992 1.00 0.00 H new ATOM 0 HE ARG A 42 7.826 -3.368 10.573 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.736 -0.562 11.812 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.818 -1.251 13.437 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.008 -4.138 12.658 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.865 -3.220 13.900 1.00 0.00 H new ATOM 688 N GLY A 43 6.866 0.838 4.796 1.00 0.00 N ATOM 689 CA GLY A 43 6.987 2.083 4.004 1.00 0.00 C ATOM 690 C GLY A 43 5.954 3.164 4.384 1.00 0.00 C ATOM 691 O GLY A 43 5.371 3.156 5.475 1.00 0.00 O ATOM 0 H GLY A 43 5.955 0.711 5.236 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.990 2.490 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.876 1.843 2.947 1.00 0.00 H new ATOM 695 N ALA A 44 5.779 4.124 3.458 1.00 0.00 N ATOM 696 CA ALA A 44 4.962 5.340 3.699 1.00 0.00 C ATOM 697 C ALA A 44 4.167 5.738 2.427 1.00 0.00 C ATOM 698 O ALA A 44 4.735 5.898 1.340 1.00 0.00 O ATOM 699 CB ALA A 44 5.890 6.488 4.145 1.00 0.00 C ATOM 0 H ALA A 44 6.194 4.085 2.527 1.00 0.00 H new ATOM 0 HA ALA A 44 4.236 5.134 4.485 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.298 7.386 4.324 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.405 6.204 5.063 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.624 6.687 3.364 1.00 0.00 H new ATOM 705 N VAL A 45 2.846 5.940 2.600 1.00 0.00 N ATOM 706 CA VAL A 45 1.961 6.521 1.553 1.00 0.00 C ATOM 707 C VAL A 45 0.954 7.451 2.290 1.00 0.00 C ATOM 708 O VAL A 45 0.008 6.984 2.934 1.00 0.00 O ATOM 709 CB VAL A 45 1.336 5.433 0.610 1.00 0.00 C ATOM 710 CG1 VAL A 45 0.393 4.404 1.270 1.00 0.00 C ATOM 711 CG2 VAL A 45 0.639 6.051 -0.618 1.00 0.00 C ATOM 0 H VAL A 45 2.357 5.708 3.464 1.00 0.00 H new ATOM 0 HA VAL A 45 2.521 7.124 0.838 1.00 0.00 H new ATOM 0 HB VAL A 45 2.216 4.867 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.028 3.708 0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.936 3.853 2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.451 4.923 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 45 0.223 5.257 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.163 6.711 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.363 6.623 -1.198 1.00 0.00 H new ATOM 721 N SER A 46 1.179 8.775 2.199 1.00 0.00 N ATOM 722 CA SER A 46 0.366 9.791 2.917 1.00 0.00 C ATOM 723 C SER A 46 -0.985 10.104 2.204 1.00 0.00 C ATOM 724 O SER A 46 -2.042 9.860 2.793 1.00 0.00 O ATOM 725 CB SER A 46 1.248 11.037 3.174 1.00 0.00 C ATOM 726 OG SER A 46 0.528 12.026 3.904 1.00 0.00 O ATOM 0 H SER A 46 1.925 9.176 1.630 1.00 0.00 H new ATOM 0 HA SER A 46 0.054 9.390 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.141 10.748 3.728 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.584 11.453 2.224 1.00 0.00 H new ATOM 0 HG SER A 46 1.104 12.804 4.057 1.00 0.00 H new ATOM 732 N GLU A 47 -0.953 10.663 0.978 1.00 0.00 N ATOM 733 CA GLU A 47 -2.161 11.195 0.281 1.00 0.00 C ATOM 734 C GLU A 47 -1.985 11.283 -1.266 1.00 0.00 C ATOM 735 O GLU A 47 -2.886 10.855 -1.994 1.00 0.00 O ATOM 736 CB GLU A 47 -2.697 12.522 0.906 1.00 0.00 C ATOM 737 CG GLU A 47 -1.711 13.711 1.025 1.00 0.00 C ATOM 738 CD GLU A 47 -2.329 14.929 1.717 1.00 0.00 C ATOM 739 OE1 GLU A 47 -2.514 14.995 2.932 1.00 0.00 O ATOM 740 OE2 GLU A 47 -2.643 15.927 0.830 1.00 0.00 O ATOM 0 H GLU A 47 -0.095 10.763 0.436 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.942 10.453 0.449 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.550 12.852 0.313 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.071 12.295 1.904 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.830 13.392 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.373 13.998 0.029 1.00 0.00 H new ATOM 748 N LYS A 48 -0.861 11.840 -1.770 1.00 0.00 N ATOM 749 CA LYS A 48 -0.623 12.056 -3.229 1.00 0.00 C ATOM 750 C LYS A 48 -0.386 10.748 -4.048 1.00 0.00 C ATOM 751 O LYS A 48 -1.033 10.577 -5.086 1.00 0.00 O ATOM 752 CB LYS A 48 0.529 13.081 -3.429 1.00 0.00 C ATOM 753 CG LYS A 48 0.191 14.526 -2.987 1.00 0.00 C ATOM 754 CD LYS A 48 1.405 15.474 -2.996 1.00 0.00 C ATOM 755 CE LYS A 48 1.049 16.882 -2.483 1.00 0.00 C ATOM 756 NZ LYS A 48 2.233 17.759 -2.447 1.00 0.00 N ATOM 0 H LYS A 48 -0.089 12.155 -1.183 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.548 12.464 -3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.402 12.740 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.808 13.093 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.578 14.928 -3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.232 14.500 -1.983 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.197 15.053 -2.376 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.799 15.548 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.288 17.323 -3.126 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.619 16.809 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.958 18.699 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.949 17.350 -1.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.628 17.848 -3.405 1.00 0.00 H new ATOM 770 N ASP A 49 0.495 9.832 -3.593 1.00 0.00 N ATOM 771 CA ASP A 49 0.703 8.504 -4.250 1.00 0.00 C ATOM 772 C ASP A 49 -0.404 7.411 -4.008 1.00 0.00 C ATOM 773 O ASP A 49 -0.317 6.350 -4.638 1.00 0.00 O ATOM 774 CB ASP A 49 2.115 7.967 -3.868 1.00 0.00 C ATOM 775 CG ASP A 49 3.305 8.738 -4.464 1.00 0.00 C ATOM 776 OD1 ASP A 49 3.688 8.465 -5.624 1.00 0.00 O ATOM 777 OD2 ASP A 49 3.858 9.621 -3.772 1.00 0.00 O ATOM 0 H ASP A 49 1.080 9.980 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 49 0.621 8.697 -5.320 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.206 7.978 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.185 6.926 -4.184 1.00 0.00 H new ATOM 782 N ALA A 50 -1.437 7.638 -3.160 1.00 0.00 N ATOM 783 CA ALA A 50 -2.512 6.644 -2.890 1.00 0.00 C ATOM 784 C ALA A 50 -3.549 6.517 -4.065 1.00 0.00 C ATOM 785 O ALA A 50 -4.052 7.558 -4.503 1.00 0.00 O ATOM 786 CB ALA A 50 -3.234 7.033 -1.586 1.00 0.00 C ATOM 0 H ALA A 50 -1.551 8.511 -2.645 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.039 5.667 -2.794 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.024 6.311 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.520 7.037 -0.762 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.669 8.026 -1.694 1.00 0.00 H new ATOM 792 N PRO A 51 -3.907 5.306 -4.597 1.00 0.00 N ATOM 793 CA PRO A 51 -4.794 5.168 -5.787 1.00 0.00 C ATOM 794 C PRO A 51 -6.329 5.278 -5.499 1.00 0.00 C ATOM 795 O PRO A 51 -6.787 5.219 -4.353 1.00 0.00 O ATOM 796 CB PRO A 51 -4.376 3.781 -6.323 1.00 0.00 C ATOM 797 CG PRO A 51 -3.933 2.979 -5.101 1.00 0.00 C ATOM 798 CD PRO A 51 -3.302 4.023 -4.183 1.00 0.00 C ATOM 0 HA PRO A 51 -4.666 5.987 -6.495 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -5.207 3.292 -6.832 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.566 3.869 -7.047 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.777 2.484 -4.621 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.219 2.201 -5.371 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -3.512 3.807 -3.135 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.218 4.043 -4.294 1.00 0.00 H new ATOM 806 N LYS A 52 -7.108 5.413 -6.590 1.00 0.00 N ATOM 807 CA LYS A 52 -8.604 5.471 -6.550 1.00 0.00 C ATOM 808 C LYS A 52 -9.329 4.173 -6.064 1.00 0.00 C ATOM 809 O LYS A 52 -10.303 4.278 -5.312 1.00 0.00 O ATOM 810 CB LYS A 52 -9.137 5.871 -7.959 1.00 0.00 C ATOM 811 CG LYS A 52 -8.944 7.355 -8.348 1.00 0.00 C ATOM 812 CD LYS A 52 -9.313 7.645 -9.817 1.00 0.00 C ATOM 813 CE LYS A 52 -9.224 9.141 -10.172 1.00 0.00 C ATOM 814 NZ LYS A 52 -9.478 9.372 -11.606 1.00 0.00 N ATOM 0 H LYS A 52 -6.727 5.486 -7.533 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.840 6.218 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.641 5.251 -8.705 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.201 5.637 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.555 7.978 -7.696 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.905 7.638 -8.177 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.649 7.081 -10.472 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.326 7.291 -10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.947 9.701 -9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.236 9.520 -9.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.410 10.389 -11.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.773 8.857 -12.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.431 9.032 -11.849 1.00 0.00 H new ATOM 828 N GLU A 53 -8.883 2.977 -6.505 1.00 0.00 N ATOM 829 CA GLU A 53 -9.564 1.675 -6.226 1.00 0.00 C ATOM 830 C GLU A 53 -9.667 1.249 -4.727 1.00 0.00 C ATOM 831 O GLU A 53 -10.724 0.762 -4.315 1.00 0.00 O ATOM 832 CB GLU A 53 -8.887 0.547 -7.054 1.00 0.00 C ATOM 833 CG GLU A 53 -9.040 0.669 -8.586 1.00 0.00 C ATOM 834 CD GLU A 53 -8.437 -0.522 -9.334 1.00 0.00 C ATOM 835 OE1 GLU A 53 -9.109 -1.451 -9.781 1.00 0.00 O ATOM 836 OE2 GLU A 53 -7.073 -0.433 -9.440 1.00 0.00 O ATOM 0 H GLU A 53 -8.038 2.877 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.599 1.835 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -7.824 0.529 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -9.302 -0.411 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -10.098 0.753 -8.836 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.559 1.587 -8.924 1.00 0.00 H new ATOM 844 N LEU A 54 -8.601 1.446 -3.924 1.00 0.00 N ATOM 845 CA LEU A 54 -8.624 1.234 -2.446 1.00 0.00 C ATOM 846 C LEU A 54 -9.687 2.073 -1.654 1.00 0.00 C ATOM 847 O LEU A 54 -10.300 1.539 -0.725 1.00 0.00 O ATOM 848 CB LEU A 54 -7.166 1.454 -1.946 1.00 0.00 C ATOM 849 CG LEU A 54 -6.845 1.147 -0.456 1.00 0.00 C ATOM 850 CD1 LEU A 54 -7.066 -0.331 -0.071 1.00 0.00 C ATOM 851 CD2 LEU A 54 -5.398 1.572 -0.140 1.00 0.00 C ATOM 0 H LEU A 54 -7.695 1.757 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.964 0.219 -2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.507 0.841 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.903 2.495 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.548 1.725 0.145 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.823 -0.473 0.982 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.108 -0.600 -0.242 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.423 -0.966 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.175 1.356 0.905 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.709 1.020 -0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.285 2.641 -0.322 1.00 0.00 H new ATOM 863 N LEU A 55 -9.921 3.348 -2.035 1.00 0.00 N ATOM 864 CA LEU A 55 -10.996 4.203 -1.454 1.00 0.00 C ATOM 865 C LEU A 55 -12.450 3.698 -1.728 1.00 0.00 C ATOM 866 O LEU A 55 -13.230 3.584 -0.779 1.00 0.00 O ATOM 867 CB LEU A 55 -10.841 5.685 -1.918 1.00 0.00 C ATOM 868 CG LEU A 55 -9.488 6.414 -1.669 1.00 0.00 C ATOM 869 CD1 LEU A 55 -9.499 7.809 -2.324 1.00 0.00 C ATOM 870 CD2 LEU A 55 -9.127 6.526 -0.174 1.00 0.00 C ATOM 0 H LEU A 55 -9.373 3.820 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.858 4.136 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -11.041 5.718 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -11.623 6.267 -1.430 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.715 5.801 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.546 8.305 -2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.653 7.705 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.306 8.405 -1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.174 7.044 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.904 7.086 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.048 5.528 0.257 1.00 0.00 H new ATOM 882 N GLN A 56 -12.812 3.406 -3.000 1.00 0.00 N ATOM 883 CA GLN A 56 -14.194 3.001 -3.392 1.00 0.00 C ATOM 884 C GLN A 56 -14.583 1.582 -2.879 1.00 0.00 C ATOM 885 O GLN A 56 -15.499 1.473 -2.059 1.00 0.00 O ATOM 886 CB GLN A 56 -14.398 3.150 -4.927 1.00 0.00 C ATOM 887 CG GLN A 56 -14.349 4.600 -5.464 1.00 0.00 C ATOM 888 CD GLN A 56 -14.532 4.686 -6.991 1.00 0.00 C ATOM 889 OE1 GLN A 56 -15.562 4.289 -7.536 1.00 0.00 O ATOM 890 NE2 GLN A 56 -13.553 5.213 -7.711 1.00 0.00 N ATOM 0 H GLN A 56 -12.161 3.443 -3.784 1.00 0.00 H new ATOM 0 HA GLN A 56 -14.881 3.686 -2.895 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.632 2.565 -5.437 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -15.361 2.714 -5.193 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -15.127 5.188 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -13.394 5.049 -5.193 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.702 5.540 -7.253 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -13.650 5.292 -8.723 1.00 0.00 H new ATOM 899 N MET A 57 -13.877 0.520 -3.324 1.00 0.00 N ATOM 900 CA MET A 57 -14.026 -0.844 -2.752 1.00 0.00 C ATOM 901 C MET A 57 -12.982 -0.997 -1.612 1.00 0.00 C ATOM 902 O MET A 57 -11.795 -1.220 -1.875 1.00 0.00 O ATOM 903 CB MET A 57 -13.859 -1.933 -3.848 1.00 0.00 C ATOM 904 CG MET A 57 -15.051 -2.055 -4.814 1.00 0.00 C ATOM 905 SD MET A 57 -14.743 -3.370 -6.007 1.00 0.00 S ATOM 906 CE MET A 57 -16.391 -3.561 -6.716 1.00 0.00 C ATOM 0 H MET A 57 -13.195 0.578 -4.080 1.00 0.00 H new ATOM 0 HA MET A 57 -15.029 -0.979 -2.346 1.00 0.00 H new ATOM 0 HB2 MET A 57 -12.961 -1.714 -4.425 1.00 0.00 H new ATOM 0 HB3 MET A 57 -13.700 -2.896 -3.364 1.00 0.00 H new ATOM 0 HG2 MET A 57 -15.963 -2.266 -4.255 1.00 0.00 H new ATOM 0 HG3 MET A 57 -15.207 -1.110 -5.334 1.00 0.00 H new ATOM 0 HE1 MET A 57 -16.372 -4.342 -7.476 1.00 0.00 H new ATOM 0 HE2 MET A 57 -17.095 -3.836 -5.931 1.00 0.00 H new ATOM 0 HE3 MET A 57 -16.703 -2.620 -7.170 1.00 0.00 H new ATOM 916 N LEU A 58 -13.440 -0.850 -0.352 1.00 0.00 N ATOM 917 CA LEU A 58 -12.573 -0.946 0.850 1.00 0.00 C ATOM 918 C LEU A 58 -12.528 -2.389 1.470 1.00 0.00 C ATOM 919 O LEU A 58 -11.403 -2.826 1.716 1.00 0.00 O ATOM 920 CB LEU A 58 -12.814 0.262 1.812 1.00 0.00 C ATOM 921 CG LEU A 58 -11.590 0.779 2.627 1.00 0.00 C ATOM 922 CD1 LEU A 58 -11.755 2.272 2.989 1.00 0.00 C ATOM 923 CD2 LEU A 58 -11.331 -0.032 3.914 1.00 0.00 C ATOM 0 H LEU A 58 -14.419 -0.662 -0.135 1.00 0.00 H new ATOM 0 HA LEU A 58 -11.530 -0.827 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.201 1.092 1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.596 -0.019 2.518 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.726 0.649 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -10.887 2.607 3.557 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.840 2.861 2.076 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.655 2.403 3.590 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.466 0.379 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -12.206 0.025 4.562 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.138 -1.073 3.655 1.00 0.00 H new ATOM 935 N GLU A 59 -13.525 -3.272 1.745 1.00 0.00 N ATOM 936 CA GLU A 59 -15.009 -3.082 1.708 1.00 0.00 C ATOM 937 C GLU A 59 -15.663 -3.286 0.306 1.00 0.00 C ATOM 938 O GLU A 59 -15.926 -2.313 -0.406 1.00 0.00 O ATOM 939 CB GLU A 59 -15.618 -1.892 2.499 1.00 0.00 C ATOM 940 CG GLU A 59 -15.153 -1.773 3.968 1.00 0.00 C ATOM 941 CD GLU A 59 -15.806 -0.602 4.700 1.00 0.00 C ATOM 942 OE1 GLU A 59 -15.363 0.546 4.676 1.00 0.00 O ATOM 943 OE2 GLU A 59 -16.933 -0.985 5.379 1.00 0.00 O ATOM 0 H GLU A 59 -13.294 -4.225 2.025 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.311 -3.933 2.318 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.370 -0.966 1.980 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.704 -1.984 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -15.384 -2.699 4.494 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.070 -1.654 3.993 1.00 0.00 H new ATOM 951 N LYS A 60 -15.989 -4.543 -0.066 1.00 0.00 N ATOM 952 CA LYS A 60 -16.555 -4.884 -1.406 1.00 0.00 C ATOM 953 C LYS A 60 -17.987 -4.299 -1.617 1.00 0.00 C ATOM 954 O LYS A 60 -18.883 -4.518 -0.794 1.00 0.00 O ATOM 955 CB LYS A 60 -16.596 -6.422 -1.639 1.00 0.00 C ATOM 956 CG LYS A 60 -15.231 -7.155 -1.619 1.00 0.00 C ATOM 957 CD LYS A 60 -15.277 -8.661 -1.977 1.00 0.00 C ATOM 958 CE LYS A 60 -16.207 -9.569 -1.140 1.00 0.00 C ATOM 959 NZ LYS A 60 -15.915 -9.566 0.307 1.00 0.00 N ATOM 0 H LYS A 60 -15.871 -5.352 0.544 1.00 0.00 H new ATOM 0 HA LYS A 60 -15.884 -4.426 -2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -17.235 -6.867 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.071 -6.610 -2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -14.559 -6.654 -2.316 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.796 -7.049 -0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.574 -8.749 -3.022 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -14.264 -9.056 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -17.239 -9.251 -1.292 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -16.130 -10.590 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.580 -10.198 0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -14.942 -9.898 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.016 -8.600 0.680 1.00 0.00 H new ATOM 973 N GLN A 61 -18.166 -3.547 -2.721 1.00 0.00 N ATOM 974 CA GLN A 61 -19.426 -2.811 -3.010 1.00 0.00 C ATOM 975 C GLN A 61 -20.194 -3.506 -4.172 1.00 0.00 C ATOM 976 O GLN A 61 -19.689 -3.641 -5.293 1.00 0.00 O ATOM 977 CB GLN A 61 -19.072 -1.329 -3.314 1.00 0.00 C ATOM 978 CG GLN A 61 -20.278 -0.369 -3.447 1.00 0.00 C ATOM 979 CD GLN A 61 -19.907 1.115 -3.646 1.00 0.00 C ATOM 980 OE1 GLN A 61 -18.873 1.467 -4.215 1.00 0.00 O ATOM 981 NE2 GLN A 61 -20.771 2.023 -3.211 1.00 0.00 N ATOM 0 H GLN A 61 -17.450 -3.429 -3.437 1.00 0.00 H new ATOM 0 HA GLN A 61 -20.095 -2.825 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -18.422 -0.959 -2.521 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.498 -1.294 -4.240 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -20.890 -0.692 -4.289 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.895 -0.458 -2.553 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -21.627 1.729 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -20.580 3.016 -3.347 1.00 0.00 H new ATOM 990 N LYS A 62 -21.446 -3.904 -3.886 1.00 0.00 N ATOM 991 CA LYS A 62 -22.390 -4.456 -4.898 1.00 0.00 C ATOM 992 C LYS A 62 -23.205 -3.297 -5.521 1.00 0.00 C ATOM 993 O LYS A 62 -23.206 -3.168 -6.766 1.00 0.00 O ATOM 994 CB LYS A 62 -23.344 -5.505 -4.257 1.00 0.00 C ATOM 995 CG LYS A 62 -22.704 -6.789 -3.680 1.00 0.00 C ATOM 996 CD LYS A 62 -22.331 -7.878 -4.709 1.00 0.00 C ATOM 997 CE LYS A 62 -21.754 -9.170 -4.091 1.00 0.00 C ATOM 998 NZ LYS A 62 -22.747 -9.942 -3.315 1.00 0.00 N ATOM 999 OXT LYS A 62 -23.854 -2.519 -4.784 1.00 0.00 O ATOM 0 H LYS A 62 -21.841 -3.856 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 62 -21.818 -4.960 -5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -23.895 -5.014 -3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -24.074 -5.801 -5.010 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -21.803 -6.509 -3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -23.394 -7.222 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -23.219 -8.132 -5.289 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.602 -7.467 -5.407 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -21.357 -9.799 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -20.917 -8.912 -3.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.297 -10.796 -2.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -23.109 -9.357 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -23.535 -10.217 -3.936 1.00 0.00 H new TER 1013 LYS A 62 END