USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) HEADER HYDROLASE 06-MAR-03 1OPZ TITLE A CORE MUTATION AFFECTING THE FOLDING PROPERTIES OF A TITLE 2 SOLUBLE DOMAIN OF THE ATPASE PROTEIN COPA FROM BACILLUS TITLE 3 SUBTILIS COMPND MOL_ID: 1; COMPND 2 MOLECULE: POTENTIAL COPPER-TRANSPORTING ATPASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: THE FIRST N-TERMINAL WATER SOLUBLE DOMAIN OF COMPND 5 COPA; COMPND 6 EC: 3.6.3.4; COMPND 7 ENGINEERED: YES; COMPND 8 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 GENE: YVGX; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET21A KEYWDS MUTATION, FOLDING, ABBAB FOLD, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,L.GONNELI,X.C.SU REVDAT 2 24-FEB-09 1OPZ 1 VERSN REVDAT 1 16-MAR-04 1OPZ 0 JRNL AUTH L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,L.GONNELLI,X.C.SU JRNL TITL A CORE MUTATION AFFECTING THE FOLDING PROPERTIES JRNL TITL 2 OF A SOLUBLE DOMAIN OF THE ATPASE PROTEIN COPA JRNL TITL 3 FROM BACILLUS SUBTILIS. JRNL REF J.MOL.BIOL. V. 331 473 2003 JRNL REFN ISSN 0022-2836 JRNL PMID 12888353 JRNL DOI 10.1016/S0022-2836(03)00769-1 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 5.0 REMARK 3 AUTHORS : PEARLMAN, CASE, CALDWELL, ROSS, CHEATHAM, REMARK 3 FERGUSON, SEIBEL, SINGH, WEINER, KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1OPZ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 10-MAR-03. REMARK 100 THE RCSB ID CODE IS RCSB018547. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.0 REMARK 210 IONIC STRENGTH : 20 MM PHOSPHATE + 2 MMDTT REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 1.5 MM APOD1S46VCOPA, 20MM REMARK 210 PHOSPHATE, 90%H2O, 10%D2O,2.0 REMARK 210 MM DTT REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, 3D_15N- REMARK 210 SEPARATED_NOESY, HNHA, HNHB REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, XEASY 1.3, DYANA REMARK 210 1.5 REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS, RESTRAINED REMARK 210 ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : THE SUBMITTED CONFORMER MODEL REMARK 210 IS THE AVERAGE OF 30 REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING 15N LABELED REMARK 210 D1S46VCOPA 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: 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 CYS A 17 -136.28 51.35 REMARK 500 ALA A 18 57.27 32.93 REMARK 500 PRO A 52 7.94 -67.56 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 TYR A 50 0.09 SIDE_CHAIN REMARK 500 ARG A 76 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1OQ3 RELATED DB: PDB REMARK 900 RELATED ID: 1OQ6 RELATED DB: PDB DBREF 1OPZ A 1 76 UNP O32220 COPA_BACSU 1 76 SEQADV 1OPZ VAL A 46 UNP O32220 SER 46 ENGINEERED SEQADV 1OPZ ILE A 73 UNP O32220 THR 73 CLONING ARTIFACT SEQADV 1OPZ GLY A 75 UNP O32220 LYS 75 CLONING ARTIFACT SEQADV 1OPZ ARG A 76 UNP O32220 ALA 76 CLONING ARTIFACT SEQRES 1 A 76 MET LEU SER GLU GLN LYS GLU ILE ALA MET GLN VAL SER SEQRES 2 A 76 GLY MET THR CYS ALA ALA CYS ALA ALA ARG ILE GLU LYS SEQRES 3 A 76 GLY LEU LYS ARG MET PRO GLY VAL THR ASP ALA ASN VAL SEQRES 4 A 76 ASN LEU ALA THR GLU THR VAL ASN VAL ILE TYR ASP PRO SEQRES 5 A 76 ALA GLU THR GLY THR ALA ALA ILE GLN GLU LYS ILE GLU SEQRES 6 A 76 LYS LEU GLY TYR HIS VAL VAL ILE GLU GLY ARG HELIX 1 1 ALA A 19 ARG A 30 1 12 HELIX 2 2 LEU A 41 THR A 43 5 3 HELIX 3 3 GLY A 56 GLY A 68 1 13 SHEET 1 A 4 VAL A 34 ASN A 40 0 SHEET 2 A 4 THR A 45 TYR A 50 -1 O ASN A 47 N ASN A 38 SHEET 3 A 4 LYS A 6 SER A 13 -1 N MET A 10 O VAL A 46 SHEET 4 A 4 HIS A 70 VAL A 72 -1 O VAL A 72 N GLN A 11 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 Set 1.1: A 57 THR OG1 : rot 14:sc= 1.55 USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= 1.57 F(o=1.6,f=3.1) USER MOD Set 2.1: A 40 ASN : amide:sc= -0.0748 K(o=-0.075,f=-2.2!) USER MOD Set 2.2: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 5 GLN :FLIP amide:sc= 1.01 F(o=-2.6!,f=2.3) USER MOD Set 3.2: A 35 THR OG1 : rot -134:sc= 1.25 USER MOD Set 4.1: A 16 THR OG1 : rot 24:sc= 0.327 USER MOD Set 4.2: A 20 CYS SG : rot 85:sc= 0.375 USER MOD Set 5.1: A 13 SER OG : rot -171:sc= 0.0886 USER MOD Set 5.2: A 70 HIS : no HE2:sc= -1.59! X(o=-1.5!,f=-1.1) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= -0.0126 (180deg=-0.0561) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 MET CE :methyl 180:sc= -0.0159 (180deg=-0.0159) USER MOD Single : A 11 GLN :FLIP amide:sc= -1.37! C(o=-2!,f=-1.4!) USER MOD Single : A 15 MET CE :methyl -173:sc= -0.911 (180deg=-0.925) USER MOD Single : A 17 CYS SG : rot 180:sc= 0.127 USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00638) USER MOD Single : A 29 LYS NZ :NH3+ -158:sc= 0.182 (180deg=-2.65!) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 75:sc= 1.27 USER MOD Single : A 47 ASN : amide:sc= -0.209 K(o=-0.21,f=-3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 34:sc= -0.263 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 1.12 (180deg=1.12) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.173 -1.677 -24.751 1.00 10.00 N ATOM 2 CA MET A 1 8.203 -0.356 -25.408 1.00 10.00 C ATOM 3 C MET A 1 7.948 0.791 -24.423 1.00 10.00 C ATOM 4 O MET A 1 8.445 1.891 -24.633 1.00 10.00 O ATOM 5 CB MET A 1 7.164 -0.284 -26.539 1.00 10.00 C ATOM 6 CG MET A 1 7.633 0.650 -27.665 1.00 10.00 C ATOM 7 SD MET A 1 8.584 -0.177 -28.965 1.00 10.00 S ATOM 8 CE MET A 1 7.232 -0.933 -29.895 1.00 10.00 C ATOM 0 H1 MET A 1 8.450 -2.411 -25.434 1.00 10.00 H new ATOM 0 H2 MET A 1 8.836 -1.681 -23.950 1.00 10.00 H new ATOM 0 H3 MET A 1 7.211 -1.871 -24.405 1.00 10.00 H new ATOM 0 HA MET A 1 9.206 -0.239 -25.818 1.00 10.00 H new ATOM 0 HB2 MET A 1 6.989 -1.282 -26.940 1.00 10.00 H new ATOM 0 HB3 MET A 1 6.213 0.071 -26.141 1.00 10.00 H new ATOM 0 HG2 MET A 1 6.761 1.126 -28.114 1.00 10.00 H new ATOM 0 HG3 MET A 1 8.242 1.444 -27.233 1.00 10.00 H new ATOM 0 HE1 MET A 1 7.638 -1.488 -30.741 1.00 10.00 H new ATOM 0 HE2 MET A 1 6.680 -1.613 -29.246 1.00 10.00 H new ATOM 0 HE3 MET A 1 6.562 -0.155 -30.260 1.00 10.00 H new ATOM 20 N LEU A 2 7.128 0.548 -23.396 1.00 10.00 N ATOM 21 CA LEU A 2 6.505 1.568 -22.570 1.00 10.00 C ATOM 22 C LEU A 2 6.591 1.103 -21.118 1.00 10.00 C ATOM 23 O LEU A 2 6.777 -0.088 -20.866 1.00 10.00 O ATOM 24 CB LEU A 2 5.018 1.695 -22.968 1.00 10.00 C ATOM 25 CG LEU A 2 4.663 2.975 -23.742 1.00 10.00 C ATOM 26 CD1 LEU A 2 5.053 2.888 -25.222 1.00 10.00 C ATOM 27 CD2 LEU A 2 3.150 3.207 -23.641 1.00 10.00 C ATOM 0 H LEU A 2 6.876 -0.399 -23.113 1.00 10.00 H new ATOM 0 HA LEU A 2 7.002 2.530 -22.700 1.00 10.00 H new ATOM 0 HB2 LEU A 2 4.745 0.832 -23.576 1.00 10.00 H new ATOM 0 HB3 LEU A 2 4.410 1.654 -22.064 1.00 10.00 H new ATOM 0 HG LEU A 2 5.222 3.799 -23.300 1.00 10.00 H new ATOM 0 HD11 LEU A 2 4.782 3.816 -25.725 1.00 10.00 H new ATOM 0 HD12 LEU A 2 6.128 2.731 -25.306 1.00 10.00 H new ATOM 0 HD13 LEU A 2 4.527 2.055 -25.689 1.00 10.00 H new ATOM 0 HD21 LEU A 2 2.884 4.113 -24.186 1.00 10.00 H new ATOM 0 HD22 LEU A 2 2.622 2.356 -24.071 1.00 10.00 H new ATOM 0 HD23 LEU A 2 2.868 3.318 -22.594 1.00 10.00 H new ATOM 39 N SER A 3 6.386 2.041 -20.198 1.00 10.00 N ATOM 40 CA SER A 3 6.147 1.806 -18.785 1.00 10.00 C ATOM 41 C SER A 3 5.154 2.892 -18.386 1.00 10.00 C ATOM 42 O SER A 3 5.524 4.065 -18.357 1.00 10.00 O ATOM 43 CB SER A 3 7.458 1.871 -17.982 1.00 10.00 C ATOM 44 OG SER A 3 8.496 2.497 -18.720 1.00 10.00 O ATOM 0 H SER A 3 6.383 3.033 -20.434 1.00 10.00 H new ATOM 0 HA SER A 3 5.751 0.812 -18.579 1.00 10.00 H new ATOM 0 HB2 SER A 3 7.290 2.419 -17.055 1.00 10.00 H new ATOM 0 HB3 SER A 3 7.766 0.863 -17.705 1.00 10.00 H new ATOM 0 HG SER A 3 9.313 2.522 -18.179 1.00 10.00 H new ATOM 50 N GLU A 4 3.885 2.518 -18.206 1.00 10.00 N ATOM 51 CA GLU A 4 2.813 3.423 -17.840 1.00 10.00 C ATOM 52 C GLU A 4 2.319 2.984 -16.468 1.00 10.00 C ATOM 53 O GLU A 4 2.013 1.812 -16.248 1.00 10.00 O ATOM 54 CB GLU A 4 1.714 3.467 -18.915 1.00 10.00 C ATOM 55 CG GLU A 4 1.136 2.104 -19.327 1.00 10.00 C ATOM 56 CD GLU A 4 0.099 2.242 -20.438 1.00 10.00 C ATOM 57 OE1 GLU A 4 -0.511 3.330 -20.525 1.00 10.00 O ATOM 58 OE2 GLU A 4 -0.062 1.253 -21.184 1.00 10.00 O ATOM 0 H GLU A 4 3.576 1.552 -18.315 1.00 10.00 H new ATOM 0 HA GLU A 4 3.162 4.454 -17.781 1.00 10.00 H new ATOM 0 HB2 GLU A 4 0.899 4.093 -18.551 1.00 10.00 H new ATOM 0 HB3 GLU A 4 2.118 3.954 -19.803 1.00 10.00 H new ATOM 0 HG2 GLU A 4 1.943 1.453 -19.662 1.00 10.00 H new ATOM 0 HG3 GLU A 4 0.679 1.626 -18.461 1.00 10.00 H new ATOM 65 N GLN A 5 2.317 3.922 -15.527 1.00 10.00 N ATOM 66 CA GLN A 5 2.056 3.620 -14.137 1.00 10.00 C ATOM 67 C GLN A 5 0.561 3.558 -13.866 1.00 10.00 C ATOM 68 O GLN A 5 -0.246 4.070 -14.642 1.00 10.00 O ATOM 69 CB GLN A 5 2.766 4.633 -13.241 1.00 10.00 C ATOM 70 CG GLN A 5 2.372 6.098 -13.495 1.00 10.00 C ATOM 71 CD GLN A 5 3.044 7.048 -12.510 1.00 10.00 C ATOM 72 OE1 GLN A 5 3.892 6.516 -11.637 1.00 10.00 O flip ATOM 73 NE2 GLN A 5 2.784 8.247 -12.514 1.00 10.00 N flip ATOM 0 H GLN A 5 2.497 4.909 -15.713 1.00 10.00 H new ATOM 0 HA GLN A 5 2.457 2.634 -13.904 1.00 10.00 H new ATOM 0 HB2 GLN A 5 2.555 4.389 -12.200 1.00 10.00 H new ATOM 0 HB3 GLN A 5 3.842 4.530 -13.380 1.00 10.00 H new ATOM 0 HG2 GLN A 5 2.647 6.376 -14.512 1.00 10.00 H new ATOM 0 HG3 GLN A 5 1.290 6.201 -13.418 1.00 10.00 H new ATOM 0 HE21 GLN A 5 2.128 8.624 -13.198 1.00 10.00 H new ATOM 0 HE22 GLN A 5 3.224 8.866 -11.833 1.00 10.00 H new ATOM 82 N LYS A 6 0.196 2.914 -12.759 1.00 10.00 N ATOM 83 CA LYS A 6 -1.187 2.666 -12.413 1.00 10.00 C ATOM 84 C LYS A 6 -1.378 2.817 -10.913 1.00 10.00 C ATOM 85 O LYS A 6 -0.466 2.588 -10.118 1.00 10.00 O ATOM 86 CB LYS A 6 -1.606 1.266 -12.892 1.00 10.00 C ATOM 87 CG LYS A 6 -2.521 1.324 -14.122 1.00 10.00 C ATOM 88 CD LYS A 6 -3.983 1.478 -13.671 1.00 10.00 C ATOM 89 CE LYS A 6 -4.921 1.767 -14.849 1.00 10.00 C ATOM 90 NZ LYS A 6 -6.330 1.862 -14.407 1.00 10.00 N ATOM 0 H LYS A 6 0.862 2.550 -12.078 1.00 10.00 H new ATOM 0 HA LYS A 6 -1.824 3.397 -12.912 1.00 10.00 H new ATOM 0 HB2 LYS A 6 -0.716 0.684 -13.131 1.00 10.00 H new ATOM 0 HB3 LYS A 6 -2.120 0.746 -12.083 1.00 10.00 H new ATOM 0 HG2 LYS A 6 -2.237 2.161 -14.760 1.00 10.00 H new ATOM 0 HG3 LYS A 6 -2.407 0.417 -14.716 1.00 10.00 H new ATOM 0 HD2 LYS A 6 -4.305 0.567 -13.167 1.00 10.00 H new ATOM 0 HD3 LYS A 6 -4.055 2.287 -12.944 1.00 10.00 H new ATOM 0 HE2 LYS A 6 -4.626 2.699 -15.331 1.00 10.00 H new ATOM 0 HE3 LYS A 6 -4.825 0.978 -15.595 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 -6.939 2.058 -15.227 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 -6.618 0.964 -13.969 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 -6.425 2.631 -13.714 1.00 10.00 H new ATOM 104 N GLU A 7 -2.609 3.187 -10.581 1.00 10.00 N ATOM 105 CA GLU A 7 -3.193 3.204 -9.261 1.00 10.00 C ATOM 106 C GLU A 7 -3.702 1.791 -8.982 1.00 10.00 C ATOM 107 O GLU A 7 -4.359 1.192 -9.836 1.00 10.00 O ATOM 108 CB GLU A 7 -4.343 4.231 -9.231 1.00 10.00 C ATOM 109 CG GLU A 7 -5.134 4.298 -10.552 1.00 10.00 C ATOM 110 CD GLU A 7 -6.419 5.104 -10.433 1.00 10.00 C ATOM 111 OE1 GLU A 7 -6.397 6.115 -9.700 1.00 10.00 O ATOM 112 OE2 GLU A 7 -7.385 4.694 -11.114 1.00 10.00 O ATOM 0 H GLU A 7 -3.270 3.507 -11.289 1.00 10.00 H new ATOM 0 HA GLU A 7 -2.471 3.494 -8.498 1.00 10.00 H new ATOM 0 HB2 GLU A 7 -5.025 3.979 -8.419 1.00 10.00 H new ATOM 0 HB3 GLU A 7 -3.935 5.217 -9.009 1.00 10.00 H new ATOM 0 HG2 GLU A 7 -4.504 4.740 -11.324 1.00 10.00 H new ATOM 0 HG3 GLU A 7 -5.375 3.286 -10.877 1.00 10.00 H new ATOM 119 N ILE A 8 -3.406 1.264 -7.796 1.00 10.00 N ATOM 120 CA ILE A 8 -4.142 0.155 -7.215 1.00 10.00 C ATOM 121 C ILE A 8 -4.852 0.719 -5.990 1.00 10.00 C ATOM 122 O ILE A 8 -4.323 1.628 -5.350 1.00 10.00 O ATOM 123 CB ILE A 8 -3.187 -1.012 -6.885 1.00 10.00 C ATOM 124 CG1 ILE A 8 -3.831 -2.381 -7.145 1.00 10.00 C ATOM 125 CG2 ILE A 8 -2.663 -0.960 -5.445 1.00 10.00 C ATOM 126 CD1 ILE A 8 -3.881 -2.686 -8.646 1.00 10.00 C ATOM 0 H ILE A 8 -2.642 1.601 -7.210 1.00 10.00 H new ATOM 0 HA ILE A 8 -4.876 -0.265 -7.902 1.00 10.00 H new ATOM 0 HB ILE A 8 -2.341 -0.888 -7.561 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -3.264 -3.157 -6.631 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -4.840 -2.397 -6.733 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -1.997 -1.805 -5.270 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -2.118 -0.029 -5.290 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -3.502 -1.009 -4.751 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -4.342 -3.661 -8.804 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -4.468 -1.921 -9.153 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -2.869 -2.693 -9.050 1.00 10.00 H new ATOM 138 N ALA A 9 -6.025 0.170 -5.674 1.00 10.00 N ATOM 139 CA ALA A 9 -6.819 0.511 -4.504 1.00 10.00 C ATOM 140 C ALA A 9 -7.291 -0.798 -3.887 1.00 10.00 C ATOM 141 O ALA A 9 -7.844 -1.629 -4.603 1.00 10.00 O ATOM 142 CB ALA A 9 -7.996 1.404 -4.901 1.00 10.00 C ATOM 0 H ALA A 9 -6.460 -0.550 -6.250 1.00 10.00 H new ATOM 0 HA ALA A 9 -6.231 1.074 -3.779 1.00 10.00 H new ATOM 0 HB1 ALA A 9 -8.581 1.651 -4.015 1.00 10.00 H new ATOM 0 HB2 ALA A 9 -7.620 2.321 -5.355 1.00 10.00 H new ATOM 0 HB3 ALA A 9 -8.627 0.877 -5.617 1.00 10.00 H new ATOM 148 N MET A 10 -7.009 -1.017 -2.600 1.00 10.00 N ATOM 149 CA MET A 10 -7.198 -2.318 -1.968 1.00 10.00 C ATOM 150 C MET A 10 -7.369 -2.132 -0.457 1.00 10.00 C ATOM 151 O MET A 10 -7.115 -1.044 0.059 1.00 10.00 O ATOM 152 CB MET A 10 -6.006 -3.221 -2.310 1.00 10.00 C ATOM 153 CG MET A 10 -4.715 -2.618 -1.754 1.00 10.00 C ATOM 154 SD MET A 10 -3.178 -3.134 -2.557 1.00 10.00 S ATOM 155 CE MET A 10 -2.051 -1.904 -1.860 1.00 10.00 C ATOM 0 H MET A 10 -6.645 -0.299 -1.973 1.00 10.00 H new ATOM 0 HA MET A 10 -8.101 -2.800 -2.343 1.00 10.00 H new ATOM 0 HB2 MET A 10 -6.162 -4.216 -1.892 1.00 10.00 H new ATOM 0 HB3 MET A 10 -5.926 -3.338 -3.391 1.00 10.00 H new ATOM 0 HG2 MET A 10 -4.788 -1.532 -1.821 1.00 10.00 H new ATOM 0 HG3 MET A 10 -4.649 -2.869 -0.695 1.00 10.00 H new ATOM 0 HE1 MET A 10 -1.046 -2.070 -2.248 1.00 10.00 H new ATOM 0 HE2 MET A 10 -2.387 -0.905 -2.137 1.00 10.00 H new ATOM 0 HE3 MET A 10 -2.040 -1.995 -0.774 1.00 10.00 H new ATOM 165 N GLN A 11 -7.801 -3.182 0.250 1.00 10.00 N ATOM 166 CA GLN A 11 -8.184 -3.091 1.650 1.00 10.00 C ATOM 167 C GLN A 11 -7.023 -3.614 2.483 1.00 10.00 C ATOM 168 O GLN A 11 -6.253 -4.452 2.009 1.00 10.00 O ATOM 169 CB GLN A 11 -9.515 -3.806 1.965 1.00 10.00 C ATOM 170 CG GLN A 11 -10.583 -3.772 0.859 1.00 10.00 C ATOM 171 CD GLN A 11 -10.511 -4.978 -0.083 1.00 10.00 C ATOM 172 OE1 GLN A 11 -9.652 -4.913 -1.092 1.00 10.00 O flip ATOM 173 NE2 GLN A 11 -11.232 -5.953 0.090 1.00 10.00 N flip ATOM 0 H GLN A 11 -7.893 -4.120 -0.141 1.00 10.00 H new ATOM 0 HA GLN A 11 -8.380 -2.049 1.903 1.00 10.00 H new ATOM 0 HB2 GLN A 11 -9.297 -4.848 2.199 1.00 10.00 H new ATOM 0 HB3 GLN A 11 -9.939 -3.360 2.864 1.00 10.00 H new ATOM 0 HG2 GLN A 11 -11.571 -3.735 1.317 1.00 10.00 H new ATOM 0 HG3 GLN A 11 -10.467 -2.857 0.278 1.00 10.00 H new ATOM 0 HE21 GLN A 11 -11.883 -5.973 0.875 1.00 10.00 H new ATOM 0 HE22 GLN A 11 -11.182 -6.745 -0.551 1.00 10.00 H new ATOM 182 N VAL A 12 -6.880 -3.112 3.708 1.00 10.00 N ATOM 183 CA VAL A 12 -5.837 -3.559 4.619 1.00 10.00 C ATOM 184 C VAL A 12 -6.497 -4.148 5.854 1.00 10.00 C ATOM 185 O VAL A 12 -7.645 -3.834 6.155 1.00 10.00 O ATOM 186 CB VAL A 12 -4.855 -2.425 4.968 1.00 10.00 C ATOM 187 CG1 VAL A 12 -3.448 -2.987 5.191 1.00 10.00 C ATOM 188 CG2 VAL A 12 -4.738 -1.393 3.843 1.00 10.00 C ATOM 0 H VAL A 12 -7.484 -2.386 4.093 1.00 10.00 H new ATOM 0 HA VAL A 12 -5.235 -4.328 4.134 1.00 10.00 H new ATOM 0 HB VAL A 12 -5.249 -1.952 5.867 1.00 10.00 H new ATOM 0 HG11 VAL A 12 -2.766 -2.173 5.437 1.00 10.00 H new ATOM 0 HG12 VAL A 12 -3.468 -3.704 6.012 1.00 10.00 H new ATOM 0 HG13 VAL A 12 -3.107 -3.485 4.283 1.00 10.00 H new ATOM 0 HG21 VAL A 12 -4.035 -0.614 4.136 1.00 10.00 H new ATOM 0 HG22 VAL A 12 -4.381 -1.882 2.936 1.00 10.00 H new ATOM 0 HG23 VAL A 12 -5.715 -0.948 3.655 1.00 10.00 H new ATOM 198 N SER A 13 -5.770 -5.017 6.551 1.00 10.00 N ATOM 199 CA SER A 13 -6.190 -5.614 7.801 1.00 10.00 C ATOM 200 C SER A 13 -5.235 -5.129 8.893 1.00 10.00 C ATOM 201 O SER A 13 -4.034 -5.030 8.646 1.00 10.00 O ATOM 202 CB SER A 13 -6.084 -7.125 7.622 1.00 10.00 C ATOM 203 OG SER A 13 -6.839 -7.838 8.578 1.00 10.00 O ATOM 0 H SER A 13 -4.848 -5.330 6.247 1.00 10.00 H new ATOM 0 HA SER A 13 -7.209 -5.344 8.078 1.00 10.00 H new ATOM 0 HB2 SER A 13 -6.424 -7.394 6.622 1.00 10.00 H new ATOM 0 HB3 SER A 13 -5.038 -7.423 7.694 1.00 10.00 H new ATOM 0 HG SER A 13 -6.627 -8.793 8.516 1.00 10.00 H new ATOM 209 N GLY A 14 -5.748 -4.837 10.090 1.00 10.00 N ATOM 210 CA GLY A 14 -4.925 -4.583 11.268 1.00 10.00 C ATOM 211 C GLY A 14 -4.714 -3.099 11.575 1.00 10.00 C ATOM 212 O GLY A 14 -4.312 -2.768 12.686 1.00 10.00 O ATOM 0 H GLY A 14 -6.750 -4.770 10.267 1.00 10.00 H new ATOM 0 HA2 GLY A 14 -5.389 -5.059 12.132 1.00 10.00 H new ATOM 0 HA3 GLY A 14 -3.953 -5.056 11.128 1.00 10.00 H new ATOM 216 N MET A 15 -4.973 -2.199 10.620 1.00 10.00 N ATOM 217 CA MET A 15 -4.947 -0.759 10.862 1.00 10.00 C ATOM 218 C MET A 15 -5.798 -0.393 12.086 1.00 10.00 C ATOM 219 O MET A 15 -6.979 -0.723 12.139 1.00 10.00 O ATOM 220 CB MET A 15 -5.368 0.040 9.607 1.00 10.00 C ATOM 221 CG MET A 15 -6.831 -0.098 9.144 1.00 10.00 C ATOM 222 SD MET A 15 -7.231 -1.688 8.386 1.00 10.00 S ATOM 223 CE MET A 15 -8.906 -1.352 7.840 1.00 10.00 C ATOM 0 H MET A 15 -5.206 -2.452 9.660 1.00 10.00 H new ATOM 0 HA MET A 15 -3.917 -0.477 11.082 1.00 10.00 H new ATOM 0 HB2 MET A 15 -5.171 1.095 9.796 1.00 10.00 H new ATOM 0 HB3 MET A 15 -4.722 -0.261 8.782 1.00 10.00 H new ATOM 0 HG2 MET A 15 -7.486 0.056 10.001 1.00 10.00 H new ATOM 0 HG3 MET A 15 -7.049 0.696 8.429 1.00 10.00 H new ATOM 0 HE1 MET A 15 -9.355 -2.269 7.458 1.00 10.00 H new ATOM 0 HE2 MET A 15 -9.495 -0.982 8.679 1.00 10.00 H new ATOM 0 HE3 MET A 15 -8.887 -0.601 7.050 1.00 10.00 H new ATOM 233 N THR A 16 -5.217 0.315 13.057 1.00 10.00 N ATOM 234 CA THR A 16 -5.939 0.850 14.205 1.00 10.00 C ATOM 235 C THR A 16 -5.945 2.378 14.119 1.00 10.00 C ATOM 236 O THR A 16 -5.612 3.067 15.081 1.00 10.00 O ATOM 237 CB THR A 16 -5.304 0.312 15.495 1.00 10.00 C ATOM 238 OG1 THR A 16 -3.900 0.467 15.443 1.00 10.00 O ATOM 239 CG2 THR A 16 -5.620 -1.178 15.664 1.00 10.00 C ATOM 0 H THR A 16 -4.221 0.533 13.065 1.00 10.00 H new ATOM 0 HA THR A 16 -6.980 0.527 14.209 1.00 10.00 H new ATOM 0 HB THR A 16 -5.713 0.873 16.335 1.00 10.00 H new ATOM 0 HG1 THR A 16 -3.673 1.185 14.816 1.00 10.00 H new ATOM 0 HG21 THR A 16 -5.163 -1.545 16.583 1.00 10.00 H new ATOM 0 HG22 THR A 16 -6.700 -1.317 15.715 1.00 10.00 H new ATOM 0 HG23 THR A 16 -5.222 -1.733 14.814 1.00 10.00 H new ATOM 247 N CYS A 17 -6.329 2.898 12.948 1.00 10.00 N ATOM 248 CA CYS A 17 -6.419 4.326 12.659 1.00 10.00 C ATOM 249 C CYS A 17 -5.108 5.029 13.037 1.00 10.00 C ATOM 250 O CYS A 17 -4.062 4.479 12.711 1.00 10.00 O ATOM 251 CB CYS A 17 -7.701 4.899 13.271 1.00 10.00 C ATOM 252 SG CYS A 17 -8.064 6.505 12.521 1.00 10.00 S ATOM 0 H CYS A 17 -6.593 2.315 12.154 1.00 10.00 H new ATOM 0 HA CYS A 17 -6.519 4.511 11.590 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -8.532 4.213 13.107 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -7.585 5.007 14.349 1.00 10.00 H new ATOM 0 HG CYS A 17 -9.153 6.990 13.039 1.00 10.00 H new ATOM 258 N ALA A 18 -5.119 6.202 13.688 1.00 10.00 N ATOM 259 CA ALA A 18 -3.943 6.924 14.178 1.00 10.00 C ATOM 260 C ALA A 18 -2.692 6.751 13.301 1.00 10.00 C ATOM 261 O ALA A 18 -1.651 6.296 13.768 1.00 10.00 O ATOM 262 CB ALA A 18 -3.689 6.536 15.638 1.00 10.00 C ATOM 0 H ALA A 18 -5.989 6.692 13.895 1.00 10.00 H new ATOM 0 HA ALA A 18 -4.162 7.990 14.118 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -2.814 7.070 16.010 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -4.558 6.799 16.241 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.513 5.462 15.704 1.00 10.00 H new ATOM 268 N ALA A 19 -2.809 7.107 12.017 1.00 10.00 N ATOM 269 CA ALA A 19 -1.723 7.086 11.037 1.00 10.00 C ATOM 270 C ALA A 19 -1.066 5.706 10.849 1.00 10.00 C ATOM 271 O ALA A 19 0.043 5.616 10.326 1.00 10.00 O ATOM 272 CB ALA A 19 -0.689 8.167 11.383 1.00 10.00 C ATOM 0 H ALA A 19 -3.692 7.428 11.621 1.00 10.00 H new ATOM 0 HA ALA A 19 -2.171 7.309 10.069 1.00 10.00 H new ATOM 0 HB1 ALA A 19 0.118 8.147 10.650 1.00 10.00 H new ATOM 0 HB2 ALA A 19 -1.168 9.146 11.369 1.00 10.00 H new ATOM 0 HB3 ALA A 19 -0.282 7.976 12.376 1.00 10.00 H new ATOM 278 N CYS A 20 -1.748 4.619 11.215 1.00 10.00 N ATOM 279 CA CYS A 20 -1.193 3.270 11.138 1.00 10.00 C ATOM 280 C CYS A 20 -1.074 2.875 9.672 1.00 10.00 C ATOM 281 O CYS A 20 0.019 2.665 9.157 1.00 10.00 O ATOM 282 CB CYS A 20 -2.060 2.261 11.909 1.00 10.00 C ATOM 283 SG CYS A 20 -1.879 2.509 13.693 1.00 10.00 S ATOM 0 H CYS A 20 -2.702 4.651 11.574 1.00 10.00 H new ATOM 0 HA CYS A 20 -0.207 3.261 11.603 1.00 10.00 H new ATOM 0 HB2 CYS A 20 -3.105 2.377 11.623 1.00 10.00 H new ATOM 0 HB3 CYS A 20 -1.768 1.244 11.645 1.00 10.00 H new ATOM 0 HG CYS A 20 -2.699 3.437 14.088 1.00 10.00 H new ATOM 289 N ALA A 21 -2.205 2.841 8.967 1.00 10.00 N ATOM 290 CA ALA A 21 -2.216 2.551 7.540 1.00 10.00 C ATOM 291 C ALA A 21 -1.372 3.558 6.759 1.00 10.00 C ATOM 292 O ALA A 21 -0.715 3.213 5.780 1.00 10.00 O ATOM 293 CB ALA A 21 -3.655 2.515 7.041 1.00 10.00 C ATOM 0 H ALA A 21 -3.128 3.012 9.367 1.00 10.00 H new ATOM 0 HA ALA A 21 -1.765 1.573 7.374 1.00 10.00 H new ATOM 0 HB1 ALA A 21 -3.664 2.298 5.973 1.00 10.00 H new ATOM 0 HB2 ALA A 21 -4.206 1.740 7.574 1.00 10.00 H new ATOM 0 HB3 ALA A 21 -4.126 3.482 7.219 1.00 10.00 H new ATOM 299 N ALA A 22 -1.357 4.811 7.213 1.00 10.00 N ATOM 300 CA ALA A 22 -0.473 5.810 6.643 1.00 10.00 C ATOM 301 C ALA A 22 0.987 5.359 6.753 1.00 10.00 C ATOM 302 O ALA A 22 1.704 5.405 5.758 1.00 10.00 O ATOM 303 CB ALA A 22 -0.711 7.156 7.326 1.00 10.00 C ATOM 0 H ALA A 22 -1.948 5.151 7.972 1.00 10.00 H new ATOM 0 HA ALA A 22 -0.692 5.929 5.582 1.00 10.00 H new ATOM 0 HB1 ALA A 22 -0.046 7.905 6.896 1.00 10.00 H new ATOM 0 HB2 ALA A 22 -1.746 7.462 7.176 1.00 10.00 H new ATOM 0 HB3 ALA A 22 -0.511 7.063 8.393 1.00 10.00 H new ATOM 309 N ARG A 23 1.431 4.909 7.935 1.00 10.00 N ATOM 310 CA ARG A 23 2.761 4.327 8.104 1.00 10.00 C ATOM 311 C ARG A 23 2.967 3.159 7.138 1.00 10.00 C ATOM 312 O ARG A 23 3.982 3.134 6.440 1.00 10.00 O ATOM 313 CB ARG A 23 3.003 3.885 9.556 1.00 10.00 C ATOM 314 CG ARG A 23 3.115 5.074 10.520 1.00 10.00 C ATOM 315 CD ARG A 23 4.584 5.395 10.816 1.00 10.00 C ATOM 316 NE ARG A 23 4.702 6.612 11.634 1.00 10.00 N ATOM 317 CZ ARG A 23 5.845 7.074 12.166 1.00 10.00 C ATOM 318 NH1 ARG A 23 6.978 6.379 12.016 1.00 10.00 N ATOM 319 NH2 ARG A 23 5.851 8.231 12.838 1.00 10.00 N ATOM 0 H ARG A 23 0.879 4.940 8.792 1.00 10.00 H new ATOM 0 HA ARG A 23 3.493 5.100 7.870 1.00 10.00 H new ATOM 0 HB2 ARG A 23 2.187 3.237 9.876 1.00 10.00 H new ATOM 0 HB3 ARG A 23 3.917 3.294 9.605 1.00 10.00 H new ATOM 0 HG2 ARG A 23 2.627 5.947 10.087 1.00 10.00 H new ATOM 0 HG3 ARG A 23 2.593 4.846 11.449 1.00 10.00 H new ATOM 0 HD2 ARG A 23 5.046 4.556 11.337 1.00 10.00 H new ATOM 0 HD3 ARG A 23 5.127 5.527 9.880 1.00 10.00 H new ATOM 0 HE ARG A 23 3.851 7.145 11.810 1.00 10.00 H new ATOM 0 HH11 ARG A 23 6.972 5.500 11.498 1.00 10.00 H new ATOM 0 HH12 ARG A 23 7.848 6.728 12.419 1.00 10.00 H new ATOM 0 HH21 ARG A 23 4.987 8.762 12.946 1.00 10.00 H new ATOM 0 HH22 ARG A 23 6.719 8.582 13.242 1.00 10.00 H new ATOM 333 N ILE A 24 2.018 2.211 7.093 1.00 10.00 N ATOM 334 CA ILE A 24 2.100 1.064 6.187 1.00 10.00 C ATOM 335 C ILE A 24 2.456 1.559 4.785 1.00 10.00 C ATOM 336 O ILE A 24 3.497 1.206 4.224 1.00 10.00 O ATOM 337 CB ILE A 24 0.779 0.259 6.146 1.00 10.00 C ATOM 338 CG1 ILE A 24 0.413 -0.330 7.511 1.00 10.00 C ATOM 339 CG2 ILE A 24 0.867 -0.877 5.119 1.00 10.00 C ATOM 340 CD1 ILE A 24 -0.951 -1.033 7.486 1.00 10.00 C ATOM 0 H ILE A 24 1.183 2.220 7.678 1.00 10.00 H new ATOM 0 HA ILE A 24 2.874 0.392 6.558 1.00 10.00 H new ATOM 0 HB ILE A 24 -0.002 0.962 5.857 1.00 10.00 H new ATOM 0 HG12 ILE A 24 1.181 -1.040 7.817 1.00 10.00 H new ATOM 0 HG13 ILE A 24 0.398 0.465 8.257 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -0.072 -1.430 5.107 1.00 10.00 H new ATOM 0 HG22 ILE A 24 1.055 -0.460 4.130 1.00 10.00 H new ATOM 0 HG23 ILE A 24 1.681 -1.550 5.390 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -1.171 -1.436 8.475 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -1.724 -0.317 7.206 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -0.928 -1.846 6.760 1.00 10.00 H new ATOM 352 N GLU A 25 1.587 2.398 4.222 1.00 10.00 N ATOM 353 CA GLU A 25 1.720 2.760 2.827 1.00 10.00 C ATOM 354 C GLU A 25 2.923 3.679 2.609 1.00 10.00 C ATOM 355 O GLU A 25 3.584 3.615 1.577 1.00 10.00 O ATOM 356 CB GLU A 25 0.436 3.414 2.317 1.00 10.00 C ATOM 357 CG GLU A 25 0.127 2.905 0.896 1.00 10.00 C ATOM 358 CD GLU A 25 -0.354 1.453 0.846 1.00 10.00 C ATOM 359 OE1 GLU A 25 -0.453 0.834 1.928 1.00 10.00 O ATOM 360 OE2 GLU A 25 -0.621 0.988 -0.282 1.00 10.00 O ATOM 0 H GLU A 25 0.800 2.829 4.707 1.00 10.00 H new ATOM 0 HA GLU A 25 1.890 1.848 2.256 1.00 10.00 H new ATOM 0 HB2 GLU A 25 -0.393 3.182 2.986 1.00 10.00 H new ATOM 0 HB3 GLU A 25 0.546 4.498 2.310 1.00 10.00 H new ATOM 0 HG2 GLU A 25 -0.634 3.545 0.449 1.00 10.00 H new ATOM 0 HG3 GLU A 25 1.024 3.001 0.284 1.00 10.00 H new ATOM 367 N LYS A 26 3.230 4.555 3.570 1.00 10.00 N ATOM 368 CA LYS A 26 4.432 5.365 3.512 1.00 10.00 C ATOM 369 C LYS A 26 5.676 4.482 3.417 1.00 10.00 C ATOM 370 O LYS A 26 6.626 4.832 2.717 1.00 10.00 O ATOM 371 CB LYS A 26 4.491 6.299 4.722 1.00 10.00 C ATOM 372 CG LYS A 26 3.658 7.573 4.521 1.00 10.00 C ATOM 373 CD LYS A 26 4.379 8.553 3.576 1.00 10.00 C ATOM 374 CE LYS A 26 3.628 9.883 3.411 1.00 10.00 C ATOM 375 NZ LYS A 26 3.638 10.700 4.644 1.00 10.00 N ATOM 0 H LYS A 26 2.655 4.716 4.397 1.00 10.00 H new ATOM 0 HA LYS A 26 4.404 5.980 2.612 1.00 10.00 H new ATOM 0 HB2 LYS A 26 4.132 5.769 5.604 1.00 10.00 H new ATOM 0 HB3 LYS A 26 5.528 6.573 4.915 1.00 10.00 H new ATOM 0 HG2 LYS A 26 2.683 7.314 4.109 1.00 10.00 H new ATOM 0 HG3 LYS A 26 3.480 8.053 5.484 1.00 10.00 H new ATOM 0 HD2 LYS A 26 5.380 8.751 3.960 1.00 10.00 H new ATOM 0 HD3 LYS A 26 4.500 8.086 2.599 1.00 10.00 H new ATOM 0 HE2 LYS A 26 4.080 10.453 2.599 1.00 10.00 H new ATOM 0 HE3 LYS A 26 2.597 9.680 3.123 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 3.148 11.600 4.468 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 3.153 10.185 5.406 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 4.621 10.891 4.926 1.00 10.00 H new ATOM 389 N GLY A 27 5.657 3.323 4.078 1.00 10.00 N ATOM 390 CA GLY A 27 6.635 2.278 3.832 1.00 10.00 C ATOM 391 C GLY A 27 6.712 1.959 2.338 1.00 10.00 C ATOM 392 O GLY A 27 7.790 1.980 1.748 1.00 10.00 O ATOM 0 H GLY A 27 4.967 3.090 4.792 1.00 10.00 H new ATOM 0 HA2 GLY A 27 7.613 2.595 4.193 1.00 10.00 H new ATOM 0 HA3 GLY A 27 6.365 1.380 4.388 1.00 10.00 H new ATOM 396 N LEU A 28 5.574 1.704 1.692 1.00 10.00 N ATOM 397 CA LEU A 28 5.566 1.439 0.260 1.00 10.00 C ATOM 398 C LEU A 28 6.006 2.635 -0.573 1.00 10.00 C ATOM 399 O LEU A 28 6.615 2.431 -1.616 1.00 10.00 O ATOM 400 CB LEU A 28 4.211 0.934 -0.207 1.00 10.00 C ATOM 401 CG LEU A 28 3.895 -0.437 0.387 1.00 10.00 C ATOM 402 CD1 LEU A 28 2.449 -0.734 0.003 1.00 10.00 C ATOM 403 CD2 LEU A 28 4.879 -1.528 -0.073 1.00 10.00 C ATOM 0 H LEU A 28 4.656 1.676 2.136 1.00 10.00 H new ATOM 0 HA LEU A 28 6.305 0.653 0.101 1.00 10.00 H new ATOM 0 HB2 LEU A 28 3.437 1.645 0.081 1.00 10.00 H new ATOM 0 HB3 LEU A 28 4.199 0.873 -1.295 1.00 10.00 H new ATOM 0 HG LEU A 28 4.013 -0.430 1.471 1.00 10.00 H new ATOM 0 HD11 LEU A 28 2.160 -1.707 0.400 1.00 10.00 H new ATOM 0 HD12 LEU A 28 1.797 0.035 0.417 1.00 10.00 H new ATOM 0 HD13 LEU A 28 2.355 -0.743 -1.083 1.00 10.00 H new ATOM 0 HD21 LEU A 28 4.605 -2.480 0.381 1.00 10.00 H new ATOM 0 HD22 LEU A 28 4.840 -1.619 -1.159 1.00 10.00 H new ATOM 0 HD23 LEU A 28 5.890 -1.258 0.232 1.00 10.00 H new ATOM 415 N LYS A 29 5.764 3.870 -0.125 1.00 10.00 N ATOM 416 CA LYS A 29 6.313 5.050 -0.788 1.00 10.00 C ATOM 417 C LYS A 29 7.854 5.002 -0.852 1.00 10.00 C ATOM 418 O LYS A 29 8.450 5.717 -1.655 1.00 10.00 O ATOM 419 CB LYS A 29 5.697 6.362 -0.256 1.00 10.00 C ATOM 420 CG LYS A 29 6.434 7.601 -0.802 1.00 10.00 C ATOM 421 CD LYS A 29 5.759 8.950 -0.517 1.00 10.00 C ATOM 422 CE LYS A 29 4.300 8.945 -0.979 1.00 10.00 C ATOM 423 NZ LYS A 29 3.795 10.292 -1.329 1.00 10.00 N ATOM 0 H LYS A 29 5.192 4.076 0.694 1.00 10.00 H new ATOM 0 HA LYS A 29 6.004 5.035 -1.833 1.00 10.00 H new ATOM 0 HB2 LYS A 29 4.645 6.411 -0.538 1.00 10.00 H new ATOM 0 HB3 LYS A 29 5.735 6.366 0.833 1.00 10.00 H new ATOM 0 HG2 LYS A 29 7.438 7.620 -0.379 1.00 10.00 H new ATOM 0 HG3 LYS A 29 6.545 7.490 -1.881 1.00 10.00 H new ATOM 0 HD2 LYS A 29 5.805 9.165 0.551 1.00 10.00 H new ATOM 0 HD3 LYS A 29 6.302 9.746 -1.026 1.00 10.00 H new ATOM 0 HE2 LYS A 29 4.202 8.291 -1.845 1.00 10.00 H new ATOM 0 HE3 LYS A 29 3.677 8.524 -0.190 1.00 10.00 H new ATOM 0 HZ1 LYS A 29 2.757 10.299 -1.271 1.00 10.00 H new ATOM 0 HZ2 LYS A 29 4.184 10.992 -0.665 1.00 10.00 H new ATOM 0 HZ3 LYS A 29 4.089 10.532 -2.297 1.00 10.00 H new ATOM 437 N ARG A 30 8.522 4.172 -0.040 1.00 10.00 N ATOM 438 CA ARG A 30 9.957 3.933 -0.189 1.00 10.00 C ATOM 439 C ARG A 30 10.322 2.959 -1.327 1.00 10.00 C ATOM 440 O ARG A 30 11.496 2.894 -1.688 1.00 10.00 O ATOM 441 CB ARG A 30 10.569 3.499 1.160 1.00 10.00 C ATOM 442 CG ARG A 30 11.429 4.608 1.777 1.00 10.00 C ATOM 443 CD ARG A 30 10.571 5.810 2.197 1.00 10.00 C ATOM 444 NE ARG A 30 11.400 7.010 2.396 1.00 10.00 N ATOM 445 CZ ARG A 30 11.832 7.513 3.564 1.00 10.00 C ATOM 446 NH1 ARG A 30 11.568 6.885 4.715 1.00 10.00 N ATOM 447 NH2 ARG A 30 12.532 8.653 3.569 1.00 10.00 N ATOM 0 H ARG A 30 8.088 3.656 0.726 1.00 10.00 H new ATOM 0 HA ARG A 30 10.398 4.883 -0.490 1.00 10.00 H new ATOM 0 HB2 ARG A 30 9.771 3.230 1.852 1.00 10.00 H new ATOM 0 HB3 ARG A 30 11.177 2.606 1.013 1.00 10.00 H new ATOM 0 HG2 ARG A 30 11.962 4.218 2.644 1.00 10.00 H new ATOM 0 HG3 ARG A 30 12.182 4.930 1.058 1.00 10.00 H new ATOM 0 HD2 ARG A 30 9.818 6.007 1.434 1.00 10.00 H new ATOM 0 HD3 ARG A 30 10.038 5.576 3.118 1.00 10.00 H new ATOM 0 HE ARG A 30 11.677 7.515 1.554 1.00 10.00 H new ATOM 0 HH11 ARG A 30 11.034 6.016 4.711 1.00 10.00 H new ATOM 0 HH12 ARG A 30 11.901 7.275 5.597 1.00 10.00 H new ATOM 0 HH21 ARG A 30 12.733 9.132 2.691 1.00 10.00 H new ATOM 0 HH22 ARG A 30 12.865 9.043 4.451 1.00 10.00 H new ATOM 461 N MET A 31 9.386 2.176 -1.879 1.00 10.00 N ATOM 462 CA MET A 31 9.739 1.109 -2.820 1.00 10.00 C ATOM 463 C MET A 31 10.062 1.648 -4.226 1.00 10.00 C ATOM 464 O MET A 31 9.317 2.473 -4.755 1.00 10.00 O ATOM 465 CB MET A 31 8.615 0.065 -2.890 1.00 10.00 C ATOM 466 CG MET A 31 8.498 -0.722 -1.579 1.00 10.00 C ATOM 467 SD MET A 31 9.966 -1.648 -1.051 1.00 10.00 S ATOM 468 CE MET A 31 10.018 -2.968 -2.280 1.00 10.00 C ATOM 0 H MET A 31 8.387 2.261 -1.691 1.00 10.00 H new ATOM 0 HA MET A 31 10.646 0.636 -2.444 1.00 10.00 H new ATOM 0 HB2 MET A 31 7.668 0.561 -3.104 1.00 10.00 H new ATOM 0 HB3 MET A 31 8.807 -0.623 -3.713 1.00 10.00 H new ATOM 0 HG2 MET A 31 8.233 -0.024 -0.785 1.00 10.00 H new ATOM 0 HG3 MET A 31 7.670 -1.424 -1.676 1.00 10.00 H new ATOM 0 HE1 MET A 31 10.871 -3.617 -2.081 1.00 10.00 H new ATOM 0 HE2 MET A 31 9.098 -3.551 -2.227 1.00 10.00 H new ATOM 0 HE3 MET A 31 10.116 -2.535 -3.275 1.00 10.00 H new ATOM 478 N PRO A 32 11.148 1.176 -4.866 1.00 10.00 N ATOM 479 CA PRO A 32 11.572 1.656 -6.173 1.00 10.00 C ATOM 480 C PRO A 32 10.530 1.324 -7.244 1.00 10.00 C ATOM 481 O PRO A 32 10.432 0.182 -7.688 1.00 10.00 O ATOM 482 CB PRO A 32 12.923 0.984 -6.445 1.00 10.00 C ATOM 483 CG PRO A 32 12.861 -0.296 -5.614 1.00 10.00 C ATOM 484 CD PRO A 32 12.044 0.131 -4.395 1.00 10.00 C ATOM 0 HA PRO A 32 11.672 2.741 -6.196 1.00 10.00 H new ATOM 0 HB2 PRO A 32 13.057 0.768 -7.505 1.00 10.00 H new ATOM 0 HB3 PRO A 32 13.755 1.619 -6.141 1.00 10.00 H new ATOM 0 HG2 PRO A 32 12.380 -1.109 -6.158 1.00 10.00 H new ATOM 0 HG3 PRO A 32 13.855 -0.644 -5.333 1.00 10.00 H new ATOM 0 HD2 PRO A 32 11.484 -0.710 -3.986 1.00 10.00 H new ATOM 0 HD3 PRO A 32 12.692 0.500 -3.600 1.00 10.00 H new ATOM 492 N GLY A 33 9.744 2.333 -7.633 1.00 10.00 N ATOM 493 CA GLY A 33 8.772 2.285 -8.712 1.00 10.00 C ATOM 494 C GLY A 33 7.412 2.769 -8.220 1.00 10.00 C ATOM 495 O GLY A 33 6.516 3.006 -9.027 1.00 10.00 O ATOM 0 H GLY A 33 9.775 3.245 -7.178 1.00 10.00 H new ATOM 0 HA2 GLY A 33 9.109 2.906 -9.542 1.00 10.00 H new ATOM 0 HA3 GLY A 33 8.688 1.266 -9.090 1.00 10.00 H new ATOM 499 N VAL A 34 7.247 2.964 -6.906 1.00 10.00 N ATOM 500 CA VAL A 34 6.133 3.732 -6.379 1.00 10.00 C ATOM 501 C VAL A 34 6.256 5.191 -6.818 1.00 10.00 C ATOM 502 O VAL A 34 7.354 5.673 -7.093 1.00 10.00 O ATOM 503 CB VAL A 34 6.107 3.590 -4.852 1.00 10.00 C ATOM 504 CG1 VAL A 34 7.183 4.475 -4.212 1.00 10.00 C ATOM 505 CG2 VAL A 34 4.722 3.906 -4.274 1.00 10.00 C ATOM 0 H VAL A 34 7.877 2.596 -6.194 1.00 10.00 H new ATOM 0 HA VAL A 34 5.189 3.354 -6.771 1.00 10.00 H new ATOM 0 HB VAL A 34 6.326 2.549 -4.613 1.00 10.00 H new ATOM 0 HG11 VAL A 34 7.150 4.362 -3.128 1.00 10.00 H new ATOM 0 HG12 VAL A 34 8.165 4.176 -4.578 1.00 10.00 H new ATOM 0 HG13 VAL A 34 7.000 5.517 -4.474 1.00 10.00 H new ATOM 0 HG21 VAL A 34 4.746 3.794 -3.190 1.00 10.00 H new ATOM 0 HG22 VAL A 34 4.447 4.930 -4.527 1.00 10.00 H new ATOM 0 HG23 VAL A 34 3.987 3.219 -4.694 1.00 10.00 H new ATOM 515 N THR A 35 5.130 5.901 -6.858 1.00 10.00 N ATOM 516 CA THR A 35 5.102 7.352 -6.996 1.00 10.00 C ATOM 517 C THR A 35 4.425 7.943 -5.771 1.00 10.00 C ATOM 518 O THR A 35 5.046 8.736 -5.064 1.00 10.00 O ATOM 519 CB THR A 35 4.406 7.786 -8.296 1.00 10.00 C ATOM 520 OG1 THR A 35 3.980 6.649 -9.008 1.00 10.00 O ATOM 521 CG2 THR A 35 5.353 8.599 -9.183 1.00 10.00 C ATOM 0 H THR A 35 4.204 5.479 -6.795 1.00 10.00 H new ATOM 0 HA THR A 35 6.123 7.728 -7.060 1.00 10.00 H new ATOM 0 HB THR A 35 3.551 8.408 -8.030 1.00 10.00 H new ATOM 0 HG1 THR A 35 4.221 6.745 -9.953 1.00 10.00 H new ATOM 0 HG21 THR A 35 4.834 8.893 -10.096 1.00 10.00 H new ATOM 0 HG22 THR A 35 5.678 9.491 -8.647 1.00 10.00 H new ATOM 0 HG23 THR A 35 6.222 7.993 -9.439 1.00 10.00 H new ATOM 529 N ASP A 36 3.169 7.556 -5.506 1.00 10.00 N ATOM 530 CA ASP A 36 2.447 8.117 -4.375 1.00 10.00 C ATOM 531 C ASP A 36 1.506 7.139 -3.687 1.00 10.00 C ATOM 532 O ASP A 36 1.118 6.138 -4.281 1.00 10.00 O ATOM 533 CB ASP A 36 1.778 9.455 -4.719 1.00 10.00 C ATOM 534 CG ASP A 36 2.010 10.378 -3.542 1.00 10.00 C ATOM 535 OD1 ASP A 36 1.462 10.093 -2.454 1.00 10.00 O ATOM 536 OD2 ASP A 36 2.980 11.165 -3.598 1.00 10.00 O ATOM 0 H ASP A 36 2.648 6.870 -6.052 1.00 10.00 H new ATOM 0 HA ASP A 36 3.208 8.331 -3.625 1.00 10.00 H new ATOM 0 HB2 ASP A 36 2.203 9.876 -5.630 1.00 10.00 H new ATOM 0 HB3 ASP A 36 0.712 9.319 -4.898 1.00 10.00 H new ATOM 541 N ALA A 37 1.181 7.426 -2.422 1.00 10.00 N ATOM 542 CA ALA A 37 0.395 6.594 -1.522 1.00 10.00 C ATOM 543 C ALA A 37 -0.657 7.462 -0.829 1.00 10.00 C ATOM 544 O ALA A 37 -0.318 8.520 -0.302 1.00 10.00 O ATOM 545 CB ALA A 37 1.335 5.970 -0.491 1.00 10.00 C ATOM 0 H ALA A 37 1.479 8.295 -1.980 1.00 10.00 H new ATOM 0 HA ALA A 37 -0.111 5.802 -2.074 1.00 10.00 H new ATOM 0 HB1 ALA A 37 0.762 5.343 0.192 1.00 10.00 H new ATOM 0 HB2 ALA A 37 2.082 5.362 -1.001 1.00 10.00 H new ATOM 0 HB3 ALA A 37 1.832 6.759 0.073 1.00 10.00 H new ATOM 551 N ASN A 38 -1.923 7.035 -0.840 1.00 10.00 N ATOM 552 CA ASN A 38 -3.071 7.798 -0.365 1.00 10.00 C ATOM 553 C ASN A 38 -3.990 6.859 0.417 1.00 10.00 C ATOM 554 O ASN A 38 -4.600 5.958 -0.157 1.00 10.00 O ATOM 555 CB ASN A 38 -3.815 8.426 -1.554 1.00 10.00 C ATOM 556 CG ASN A 38 -3.370 9.862 -1.820 1.00 10.00 C ATOM 557 OD1 ASN A 38 -4.080 10.803 -1.482 1.00 10.00 O ATOM 558 ND2 ASN A 38 -2.200 10.057 -2.420 1.00 10.00 N ATOM 0 H ASN A 38 -2.181 6.114 -1.194 1.00 10.00 H new ATOM 0 HA ASN A 38 -2.741 8.606 0.287 1.00 10.00 H new ATOM 0 HB2 ASN A 38 -3.644 7.824 -2.446 1.00 10.00 H new ATOM 0 HB3 ASN A 38 -4.887 8.410 -1.359 1.00 10.00 H new ATOM 0 HD21 ASN A 38 -1.875 11.005 -2.609 1.00 10.00 H new ATOM 0 HD22 ASN A 38 -1.627 9.258 -2.692 1.00 10.00 H new ATOM 565 N VAL A 39 -4.075 7.058 1.734 1.00 10.00 N ATOM 566 CA VAL A 39 -4.862 6.221 2.626 1.00 10.00 C ATOM 567 C VAL A 39 -6.325 6.680 2.652 1.00 10.00 C ATOM 568 O VAL A 39 -6.599 7.878 2.646 1.00 10.00 O ATOM 569 CB VAL A 39 -4.189 6.201 4.008 1.00 10.00 C ATOM 570 CG1 VAL A 39 -4.381 7.505 4.793 1.00 10.00 C ATOM 571 CG2 VAL A 39 -4.686 5.012 4.829 1.00 10.00 C ATOM 0 H VAL A 39 -3.590 7.817 2.212 1.00 10.00 H new ATOM 0 HA VAL A 39 -4.892 5.193 2.265 1.00 10.00 H new ATOM 0 HB VAL A 39 -3.119 6.099 3.827 1.00 10.00 H new ATOM 0 HG11 VAL A 39 -3.882 7.425 5.759 1.00 10.00 H new ATOM 0 HG12 VAL A 39 -3.953 8.335 4.231 1.00 10.00 H new ATOM 0 HG13 VAL A 39 -5.445 7.683 4.948 1.00 10.00 H new ATOM 0 HG21 VAL A 39 -4.199 5.014 5.804 1.00 10.00 H new ATOM 0 HG22 VAL A 39 -5.765 5.088 4.962 1.00 10.00 H new ATOM 0 HG23 VAL A 39 -4.449 4.085 4.307 1.00 10.00 H new ATOM 581 N ASN A 40 -7.260 5.723 2.680 1.00 10.00 N ATOM 582 CA ASN A 40 -8.702 5.928 2.723 1.00 10.00 C ATOM 583 C ASN A 40 -9.357 5.076 3.808 1.00 10.00 C ATOM 584 O ASN A 40 -10.141 4.166 3.530 1.00 10.00 O ATOM 585 CB ASN A 40 -9.323 5.638 1.351 1.00 10.00 C ATOM 586 CG ASN A 40 -10.753 6.172 1.280 1.00 10.00 C ATOM 587 OD1 ASN A 40 -11.252 6.768 2.230 1.00 10.00 O ATOM 588 ND2 ASN A 40 -11.444 5.921 0.173 1.00 10.00 N ATOM 0 H ASN A 40 -7.012 4.734 2.673 1.00 10.00 H new ATOM 0 HA ASN A 40 -8.885 6.973 2.974 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -8.719 6.098 0.569 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -9.321 4.564 1.165 1.00 10.00 H new ATOM 0 HD21 ASN A 40 -12.414 6.226 0.097 1.00 10.00 H new ATOM 0 HD22 ASN A 40 -11.004 5.424 -0.601 1.00 10.00 H new ATOM 595 N LEU A 41 -9.064 5.389 5.071 1.00 10.00 N ATOM 596 CA LEU A 41 -9.641 4.659 6.193 1.00 10.00 C ATOM 597 C LEU A 41 -11.134 4.915 6.357 1.00 10.00 C ATOM 598 O LEU A 41 -11.827 4.083 6.935 1.00 10.00 O ATOM 599 CB LEU A 41 -8.880 4.937 7.489 1.00 10.00 C ATOM 600 CG LEU A 41 -7.410 4.499 7.402 1.00 10.00 C ATOM 601 CD1 LEU A 41 -6.756 4.567 8.790 1.00 10.00 C ATOM 602 CD2 LEU A 41 -7.275 3.087 6.811 1.00 10.00 C ATOM 0 H LEU A 41 -8.431 6.143 5.339 1.00 10.00 H new ATOM 0 HA LEU A 41 -9.534 3.599 5.962 1.00 10.00 H new ATOM 0 HB2 LEU A 41 -8.928 6.002 7.715 1.00 10.00 H new ATOM 0 HB3 LEU A 41 -9.365 4.414 8.313 1.00 10.00 H new ATOM 0 HG LEU A 41 -6.894 5.186 6.731 1.00 10.00 H new ATOM 0 HD11 LEU A 41 -5.714 4.255 8.717 1.00 10.00 H new ATOM 0 HD12 LEU A 41 -6.803 5.590 9.165 1.00 10.00 H new ATOM 0 HD13 LEU A 41 -7.286 3.905 9.475 1.00 10.00 H new ATOM 0 HD21 LEU A 41 -6.222 2.811 6.765 1.00 10.00 H new ATOM 0 HD22 LEU A 41 -7.809 2.376 7.442 1.00 10.00 H new ATOM 0 HD23 LEU A 41 -7.699 3.071 5.807 1.00 10.00 H new ATOM 614 N ALA A 42 -11.655 5.991 5.762 1.00 10.00 N ATOM 615 CA ALA A 42 -13.095 6.188 5.647 1.00 10.00 C ATOM 616 C ALA A 42 -13.741 5.035 4.872 1.00 10.00 C ATOM 617 O ALA A 42 -14.957 4.866 4.920 1.00 10.00 O ATOM 618 CB ALA A 42 -13.391 7.531 4.974 1.00 10.00 C ATOM 0 H ALA A 42 -11.096 6.739 5.352 1.00 10.00 H new ATOM 0 HA ALA A 42 -13.526 6.200 6.648 1.00 10.00 H new ATOM 0 HB1 ALA A 42 -14.469 7.668 4.893 1.00 10.00 H new ATOM 0 HB2 ALA A 42 -12.967 8.338 5.571 1.00 10.00 H new ATOM 0 HB3 ALA A 42 -12.948 7.544 3.978 1.00 10.00 H new ATOM 624 N THR A 43 -12.937 4.249 4.151 1.00 10.00 N ATOM 625 CA THR A 43 -13.370 3.052 3.461 1.00 10.00 C ATOM 626 C THR A 43 -12.441 1.876 3.809 1.00 10.00 C ATOM 627 O THR A 43 -12.395 0.909 3.054 1.00 10.00 O ATOM 628 CB THR A 43 -13.400 3.379 1.955 1.00 10.00 C ATOM 629 OG1 THR A 43 -13.915 4.684 1.751 1.00 10.00 O ATOM 630 CG2 THR A 43 -14.285 2.424 1.159 1.00 10.00 C ATOM 0 H THR A 43 -11.942 4.441 4.034 1.00 10.00 H new ATOM 0 HA THR A 43 -14.368 2.742 3.771 1.00 10.00 H new ATOM 0 HB THR A 43 -12.371 3.287 1.608 1.00 10.00 H new ATOM 0 HG1 THR A 43 -13.929 4.884 0.792 1.00 10.00 H new ATOM 0 HG21 THR A 43 -14.267 2.704 0.106 1.00 10.00 H new ATOM 0 HG22 THR A 43 -13.913 1.405 1.270 1.00 10.00 H new ATOM 0 HG23 THR A 43 -15.308 2.480 1.532 1.00 10.00 H new ATOM 638 N GLU A 44 -11.689 1.937 4.923 1.00 10.00 N ATOM 639 CA GLU A 44 -10.768 0.884 5.341 1.00 10.00 C ATOM 640 C GLU A 44 -9.876 0.397 4.186 1.00 10.00 C ATOM 641 O GLU A 44 -9.585 -0.792 4.063 1.00 10.00 O ATOM 642 CB GLU A 44 -11.576 -0.243 5.995 1.00 10.00 C ATOM 643 CG GLU A 44 -12.310 0.267 7.245 1.00 10.00 C ATOM 644 CD GLU A 44 -13.009 -0.857 8.000 1.00 10.00 C ATOM 645 OE1 GLU A 44 -13.387 -1.846 7.336 1.00 10.00 O ATOM 646 OE2 GLU A 44 -13.149 -0.703 9.232 1.00 10.00 O ATOM 0 H GLU A 44 -11.710 2.733 5.561 1.00 10.00 H new ATOM 0 HA GLU A 44 -10.071 1.283 6.078 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -12.297 -0.641 5.281 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -10.911 -1.063 6.267 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -11.598 0.759 7.907 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -13.044 1.018 6.952 1.00 10.00 H new ATOM 653 N THR A 45 -9.450 1.332 3.333 1.00 10.00 N ATOM 654 CA THR A 45 -8.829 1.054 2.051 1.00 10.00 C ATOM 655 C THR A 45 -7.630 1.971 1.909 1.00 10.00 C ATOM 656 O THR A 45 -7.556 3.016 2.556 1.00 10.00 O ATOM 657 CB THR A 45 -9.879 1.262 0.941 1.00 10.00 C ATOM 658 OG1 THR A 45 -10.805 0.198 0.976 1.00 10.00 O ATOM 659 CG2 THR A 45 -9.353 1.344 -0.496 1.00 10.00 C ATOM 0 H THR A 45 -9.534 2.330 3.528 1.00 10.00 H new ATOM 0 HA THR A 45 -8.478 0.025 1.974 1.00 10.00 H new ATOM 0 HB THR A 45 -10.309 2.238 1.167 1.00 10.00 H new ATOM 0 HG1 THR A 45 -11.415 0.320 1.733 1.00 10.00 H new ATOM 0 HG21 THR A 45 -10.188 1.491 -1.181 1.00 10.00 H new ATOM 0 HG22 THR A 45 -8.661 2.181 -0.583 1.00 10.00 H new ATOM 0 HG23 THR A 45 -8.836 0.418 -0.748 1.00 10.00 H new ATOM 667 N VAL A 46 -6.681 1.580 1.066 1.00 10.00 N ATOM 668 CA VAL A 46 -5.566 2.419 0.692 1.00 10.00 C ATOM 669 C VAL A 46 -5.363 2.322 -0.812 1.00 10.00 C ATOM 670 O VAL A 46 -5.629 1.275 -1.408 1.00 10.00 O ATOM 671 CB VAL A 46 -4.348 2.010 1.517 1.00 10.00 C ATOM 672 CG1 VAL A 46 -3.927 0.553 1.269 1.00 10.00 C ATOM 673 CG2 VAL A 46 -3.152 2.913 1.229 1.00 10.00 C ATOM 0 H VAL A 46 -6.671 0.661 0.623 1.00 10.00 H new ATOM 0 HA VAL A 46 -5.750 3.471 0.911 1.00 10.00 H new ATOM 0 HB VAL A 46 -4.652 2.114 2.559 1.00 10.00 H new ATOM 0 HG11 VAL A 46 -3.057 0.317 1.881 1.00 10.00 H new ATOM 0 HG12 VAL A 46 -4.748 -0.113 1.533 1.00 10.00 H new ATOM 0 HG13 VAL A 46 -3.677 0.421 0.216 1.00 10.00 H new ATOM 0 HG21 VAL A 46 -2.302 2.595 1.833 1.00 10.00 H new ATOM 0 HG22 VAL A 46 -2.892 2.847 0.173 1.00 10.00 H new ATOM 0 HG23 VAL A 46 -3.406 3.944 1.476 1.00 10.00 H new ATOM 683 N ASN A 47 -4.945 3.441 -1.410 1.00 10.00 N ATOM 684 CA ASN A 47 -4.634 3.557 -2.820 1.00 10.00 C ATOM 685 C ASN A 47 -3.155 3.880 -2.952 1.00 10.00 C ATOM 686 O ASN A 47 -2.660 4.739 -2.225 1.00 10.00 O ATOM 687 CB ASN A 47 -5.493 4.655 -3.454 1.00 10.00 C ATOM 688 CG ASN A 47 -5.187 4.811 -4.942 1.00 10.00 C ATOM 689 OD1 ASN A 47 -5.872 4.243 -5.783 1.00 10.00 O ATOM 690 ND2 ASN A 47 -4.170 5.596 -5.288 1.00 10.00 N ATOM 0 H ASN A 47 -4.812 4.315 -0.901 1.00 10.00 H new ATOM 0 HA ASN A 47 -4.851 2.624 -3.339 1.00 10.00 H new ATOM 0 HB2 ASN A 47 -6.548 4.416 -3.321 1.00 10.00 H new ATOM 0 HB3 ASN A 47 -5.313 5.601 -2.943 1.00 10.00 H new ATOM 0 HD21 ASN A 47 -3.946 5.736 -6.273 1.00 10.00 H new ATOM 0 HD22 ASN A 47 -3.614 6.058 -4.568 1.00 10.00 H new ATOM 697 N VAL A 48 -2.453 3.232 -3.878 1.00 10.00 N ATOM 698 CA VAL A 48 -1.051 3.518 -4.138 1.00 10.00 C ATOM 699 C VAL A 48 -0.804 3.446 -5.643 1.00 10.00 C ATOM 700 O VAL A 48 -1.353 2.579 -6.324 1.00 10.00 O ATOM 701 CB VAL A 48 -0.142 2.619 -3.275 1.00 10.00 C ATOM 702 CG1 VAL A 48 -0.368 1.128 -3.533 1.00 10.00 C ATOM 703 CG2 VAL A 48 1.345 2.939 -3.465 1.00 10.00 C ATOM 0 H VAL A 48 -2.842 2.496 -4.467 1.00 10.00 H new ATOM 0 HA VAL A 48 -0.790 4.532 -3.835 1.00 10.00 H new ATOM 0 HB VAL A 48 -0.424 2.840 -2.245 1.00 10.00 H new ATOM 0 HG11 VAL A 48 0.298 0.544 -2.898 1.00 10.00 H new ATOM 0 HG12 VAL A 48 -1.403 0.872 -3.305 1.00 10.00 H new ATOM 0 HG13 VAL A 48 -0.161 0.904 -4.580 1.00 10.00 H new ATOM 0 HG21 VAL A 48 1.942 2.279 -2.836 1.00 10.00 H new ATOM 0 HG22 VAL A 48 1.619 2.790 -4.510 1.00 10.00 H new ATOM 0 HG23 VAL A 48 1.533 3.975 -3.185 1.00 10.00 H new ATOM 713 N ILE A 49 -0.027 4.405 -6.153 1.00 10.00 N ATOM 714 CA ILE A 49 0.331 4.550 -7.552 1.00 10.00 C ATOM 715 C ILE A 49 1.765 4.062 -7.704 1.00 10.00 C ATOM 716 O ILE A 49 2.650 4.504 -6.964 1.00 10.00 O ATOM 717 CB ILE A 49 0.199 6.014 -8.005 1.00 10.00 C ATOM 718 CG1 ILE A 49 -1.236 6.533 -7.812 1.00 10.00 C ATOM 719 CG2 ILE A 49 0.584 6.143 -9.491 1.00 10.00 C ATOM 720 CD1 ILE A 49 -1.264 8.061 -7.750 1.00 10.00 C ATOM 0 H ILE A 49 0.385 5.132 -5.568 1.00 10.00 H new ATOM 0 HA ILE A 49 -0.341 3.964 -8.180 1.00 10.00 H new ATOM 0 HB ILE A 49 0.872 6.612 -7.391 1.00 10.00 H new ATOM 0 HG12 ILE A 49 -1.865 6.187 -8.633 1.00 10.00 H new ATOM 0 HG13 ILE A 49 -1.655 6.121 -6.894 1.00 10.00 H new ATOM 0 HG21 ILE A 49 0.487 7.183 -9.803 1.00 10.00 H new ATOM 0 HG22 ILE A 49 1.615 5.817 -9.629 1.00 10.00 H new ATOM 0 HG23 ILE A 49 -0.078 5.521 -10.094 1.00 10.00 H new ATOM 0 HD11 ILE A 49 -2.291 8.401 -7.613 1.00 10.00 H new ATOM 0 HD12 ILE A 49 -0.654 8.402 -6.914 1.00 10.00 H new ATOM 0 HD13 ILE A 49 -0.867 8.470 -8.679 1.00 10.00 H new ATOM 732 N TYR A 50 1.989 3.163 -8.662 1.00 10.00 N ATOM 733 CA TYR A 50 3.302 2.612 -8.931 1.00 10.00 C ATOM 734 C TYR A 50 3.434 2.211 -10.392 1.00 10.00 C ATOM 735 O TYR A 50 2.438 2.145 -11.117 1.00 10.00 O ATOM 736 CB TYR A 50 3.558 1.401 -8.032 1.00 10.00 C ATOM 737 CG TYR A 50 2.443 0.367 -8.016 1.00 10.00 C ATOM 738 CD1 TYR A 50 2.238 -0.481 -9.122 1.00 10.00 C ATOM 739 CD2 TYR A 50 1.649 0.210 -6.867 1.00 10.00 C ATOM 740 CE1 TYR A 50 1.282 -1.509 -9.058 1.00 10.00 C ATOM 741 CE2 TYR A 50 0.729 -0.849 -6.787 1.00 10.00 C ATOM 742 CZ TYR A 50 0.564 -1.724 -7.872 1.00 10.00 C ATOM 743 OH TYR A 50 -0.183 -2.857 -7.729 1.00 10.00 O ATOM 0 H TYR A 50 1.257 2.800 -9.272 1.00 10.00 H new ATOM 0 HA TYR A 50 4.045 3.381 -8.718 1.00 10.00 H new ATOM 0 HB2 TYR A 50 4.479 0.916 -8.355 1.00 10.00 H new ATOM 0 HB3 TYR A 50 3.723 1.752 -7.013 1.00 10.00 H new ATOM 0 HD1 TYR A 50 2.818 -0.341 -10.022 1.00 10.00 H new ATOM 0 HD2 TYR A 50 1.746 0.904 -6.045 1.00 10.00 H new ATOM 0 HE1 TYR A 50 1.100 -2.133 -9.921 1.00 10.00 H new ATOM 0 HE2 TYR A 50 0.147 -0.990 -5.888 1.00 10.00 H new ATOM 0 HH TYR A 50 -0.617 -2.854 -6.850 1.00 10.00 H new ATOM 753 N ASP A 51 4.671 1.917 -10.797 1.00 10.00 N ATOM 754 CA ASP A 51 4.996 1.477 -12.133 1.00 10.00 C ATOM 755 C ASP A 51 5.193 -0.043 -12.164 1.00 10.00 C ATOM 756 O ASP A 51 6.126 -0.531 -11.519 1.00 10.00 O ATOM 757 CB ASP A 51 6.251 2.206 -12.592 1.00 10.00 C ATOM 758 CG ASP A 51 6.461 1.909 -14.067 1.00 10.00 C ATOM 759 OD1 ASP A 51 6.712 0.721 -14.360 1.00 10.00 O ATOM 760 OD2 ASP A 51 6.293 2.845 -14.875 1.00 10.00 O ATOM 0 H ASP A 51 5.484 1.983 -10.184 1.00 10.00 H new ATOM 0 HA ASP A 51 4.177 1.711 -12.813 1.00 10.00 H new ATOM 0 HB2 ASP A 51 6.147 3.279 -12.432 1.00 10.00 H new ATOM 0 HB3 ASP A 51 7.114 1.879 -12.012 1.00 10.00 H new ATOM 765 N PRO A 52 4.374 -0.789 -12.932 1.00 10.00 N ATOM 766 CA PRO A 52 4.413 -2.246 -13.002 1.00 10.00 C ATOM 767 C PRO A 52 5.681 -2.809 -13.654 1.00 10.00 C ATOM 768 O PRO A 52 5.750 -4.016 -13.877 1.00 10.00 O ATOM 769 CB PRO A 52 3.140 -2.652 -13.752 1.00 10.00 C ATOM 770 CG PRO A 52 2.884 -1.461 -14.670 1.00 10.00 C ATOM 771 CD PRO A 52 3.347 -0.274 -13.827 1.00 10.00 C ATOM 0 HA PRO A 52 4.448 -2.670 -11.998 1.00 10.00 H new ATOM 0 HB2 PRO A 52 3.282 -3.573 -14.317 1.00 10.00 H new ATOM 0 HB3 PRO A 52 2.307 -2.821 -13.070 1.00 10.00 H new ATOM 0 HG2 PRO A 52 3.447 -1.540 -15.600 1.00 10.00 H new ATOM 0 HG3 PRO A 52 1.831 -1.378 -14.940 1.00 10.00 H new ATOM 0 HD2 PRO A 52 3.744 0.521 -14.458 1.00 10.00 H new ATOM 0 HD3 PRO A 52 2.516 0.151 -13.263 1.00 10.00 H new ATOM 779 N ALA A 53 6.687 -1.980 -13.947 1.00 10.00 N ATOM 780 CA ALA A 53 7.963 -2.464 -14.464 1.00 10.00 C ATOM 781 C ALA A 53 8.828 -2.904 -13.287 1.00 10.00 C ATOM 782 O ALA A 53 9.399 -3.992 -13.288 1.00 10.00 O ATOM 783 CB ALA A 53 8.663 -1.372 -15.279 1.00 10.00 C ATOM 0 H ALA A 53 6.638 -0.968 -13.833 1.00 10.00 H new ATOM 0 HA ALA A 53 7.795 -3.311 -15.129 1.00 10.00 H new ATOM 0 HB1 ALA A 53 9.613 -1.752 -15.656 1.00 10.00 H new ATOM 0 HB2 ALA A 53 8.030 -1.081 -16.117 1.00 10.00 H new ATOM 0 HB3 ALA A 53 8.845 -0.505 -14.644 1.00 10.00 H new ATOM 789 N GLU A 54 8.913 -2.026 -12.288 1.00 10.00 N ATOM 790 CA GLU A 54 9.738 -2.180 -11.103 1.00 10.00 C ATOM 791 C GLU A 54 8.902 -2.668 -9.917 1.00 10.00 C ATOM 792 O GLU A 54 9.296 -3.559 -9.169 1.00 10.00 O ATOM 793 CB GLU A 54 10.347 -0.810 -10.791 1.00 10.00 C ATOM 794 CG GLU A 54 11.359 -0.366 -11.858 1.00 10.00 C ATOM 795 CD GLU A 54 12.549 0.357 -11.233 1.00 10.00 C ATOM 796 OE1 GLU A 54 12.299 1.294 -10.444 1.00 10.00 O ATOM 797 OE2 GLU A 54 13.687 -0.054 -11.546 1.00 10.00 O ATOM 0 H GLU A 54 8.385 -1.154 -12.288 1.00 10.00 H new ATOM 0 HA GLU A 54 10.517 -2.921 -11.280 1.00 10.00 H new ATOM 0 HB2 GLU A 54 9.551 -0.069 -10.718 1.00 10.00 H new ATOM 0 HB3 GLU A 54 10.839 -0.846 -9.819 1.00 10.00 H new ATOM 0 HG2 GLU A 54 11.711 -1.236 -12.412 1.00 10.00 H new ATOM 0 HG3 GLU A 54 10.868 0.292 -12.575 1.00 10.00 H new ATOM 804 N THR A 55 7.748 -2.032 -9.738 1.00 10.00 N ATOM 805 CA THR A 55 6.826 -2.158 -8.627 1.00 10.00 C ATOM 806 C THR A 55 5.477 -2.766 -8.964 1.00 10.00 C ATOM 807 O THR A 55 4.748 -2.244 -9.797 1.00 10.00 O ATOM 808 CB THR A 55 6.621 -0.775 -8.050 1.00 10.00 C ATOM 809 OG1 THR A 55 7.822 -0.274 -7.511 1.00 10.00 O ATOM 810 CG2 THR A 55 5.750 -0.777 -6.814 1.00 10.00 C ATOM 0 H THR A 55 7.411 -1.360 -10.428 1.00 10.00 H new ATOM 0 HA THR A 55 7.277 -2.856 -7.922 1.00 10.00 H new ATOM 0 HB THR A 55 6.203 -0.207 -8.881 1.00 10.00 H new ATOM 0 HG1 THR A 55 8.579 -0.601 -8.040 1.00 10.00 H new ATOM 0 HG21 THR A 55 5.639 0.243 -6.445 1.00 10.00 H new ATOM 0 HG22 THR A 55 4.769 -1.182 -7.061 1.00 10.00 H new ATOM 0 HG23 THR A 55 6.213 -1.393 -6.043 1.00 10.00 H new ATOM 818 N GLY A 56 5.053 -3.763 -8.189 1.00 10.00 N ATOM 819 CA GLY A 56 3.647 -4.089 -8.132 1.00 10.00 C ATOM 820 C GLY A 56 3.302 -4.803 -6.839 1.00 10.00 C ATOM 821 O GLY A 56 4.162 -5.023 -5.980 1.00 10.00 O ATOM 0 H GLY A 56 5.656 -4.343 -7.606 1.00 10.00 H new ATOM 0 HA2 GLY A 56 3.056 -3.177 -8.216 1.00 10.00 H new ATOM 0 HA3 GLY A 56 3.382 -4.720 -8.981 1.00 10.00 H new ATOM 825 N THR A 57 2.023 -5.170 -6.746 1.00 10.00 N ATOM 826 CA THR A 57 1.391 -5.896 -5.655 1.00 10.00 C ATOM 827 C THR A 57 2.312 -6.997 -5.121 1.00 10.00 C ATOM 828 O THR A 57 2.464 -7.143 -3.916 1.00 10.00 O ATOM 829 CB THR A 57 -0.003 -6.373 -6.093 1.00 10.00 C ATOM 830 OG1 THR A 57 -0.728 -6.846 -4.982 1.00 10.00 O ATOM 831 CG2 THR A 57 0.002 -7.419 -7.212 1.00 10.00 C ATOM 0 H THR A 57 1.358 -4.949 -7.487 1.00 10.00 H new ATOM 0 HA THR A 57 1.231 -5.237 -4.802 1.00 10.00 H new ATOM 0 HB THR A 57 -0.492 -5.496 -6.518 1.00 10.00 H new ATOM 0 HG1 THR A 57 -0.278 -6.570 -4.156 1.00 10.00 H new ATOM 0 HG21 THR A 57 -1.024 -7.696 -7.455 1.00 10.00 H new ATOM 0 HG22 THR A 57 0.485 -7.003 -8.096 1.00 10.00 H new ATOM 0 HG23 THR A 57 0.548 -8.303 -6.882 1.00 10.00 H new ATOM 839 N ALA A 58 2.991 -7.716 -6.016 1.00 10.00 N ATOM 840 CA ALA A 58 4.005 -8.704 -5.678 1.00 10.00 C ATOM 841 C ALA A 58 4.991 -8.213 -4.607 1.00 10.00 C ATOM 842 O ALA A 58 5.151 -8.841 -3.561 1.00 10.00 O ATOM 843 CB ALA A 58 4.763 -9.056 -6.962 1.00 10.00 C ATOM 0 H ALA A 58 2.844 -7.621 -7.021 1.00 10.00 H new ATOM 0 HA ALA A 58 3.506 -9.576 -5.255 1.00 10.00 H new ATOM 0 HB1 ALA A 58 5.531 -9.796 -6.740 1.00 10.00 H new ATOM 0 HB2 ALA A 58 4.067 -9.464 -7.695 1.00 10.00 H new ATOM 0 HB3 ALA A 58 5.230 -8.158 -7.366 1.00 10.00 H new ATOM 849 N ALA A 59 5.681 -7.104 -4.886 1.00 10.00 N ATOM 850 CA ALA A 59 6.683 -6.548 -3.985 1.00 10.00 C ATOM 851 C ALA A 59 5.973 -5.932 -2.788 1.00 10.00 C ATOM 852 O ALA A 59 6.436 -5.983 -1.648 1.00 10.00 O ATOM 853 CB ALA A 59 7.516 -5.501 -4.732 1.00 10.00 C ATOM 0 H ALA A 59 5.557 -6.569 -5.745 1.00 10.00 H new ATOM 0 HA ALA A 59 7.357 -7.329 -3.632 1.00 10.00 H new ATOM 0 HB1 ALA A 59 8.266 -5.085 -4.059 1.00 10.00 H new ATOM 0 HB2 ALA A 59 8.012 -5.970 -5.582 1.00 10.00 H new ATOM 0 HB3 ALA A 59 6.864 -4.703 -5.087 1.00 10.00 H new ATOM 859 N ILE A 60 4.834 -5.313 -3.091 1.00 10.00 N ATOM 860 CA ILE A 60 4.026 -4.605 -2.133 1.00 10.00 C ATOM 861 C ILE A 60 3.601 -5.525 -0.985 1.00 10.00 C ATOM 862 O ILE A 60 3.967 -5.227 0.144 1.00 10.00 O ATOM 863 CB ILE A 60 2.930 -3.839 -2.894 1.00 10.00 C ATOM 864 CG1 ILE A 60 3.444 -2.417 -3.141 1.00 10.00 C ATOM 865 CG2 ILE A 60 1.563 -3.830 -2.208 1.00 10.00 C ATOM 866 CD1 ILE A 60 2.682 -1.663 -4.231 1.00 10.00 C ATOM 0 H ILE A 60 4.449 -5.297 -4.035 1.00 10.00 H new ATOM 0 HA ILE A 60 4.582 -3.833 -1.600 1.00 10.00 H new ATOM 0 HB ILE A 60 2.745 -4.362 -3.832 1.00 10.00 H new ATOM 0 HG12 ILE A 60 3.382 -1.852 -2.211 1.00 10.00 H new ATOM 0 HG13 ILE A 60 4.498 -2.465 -3.415 1.00 10.00 H new ATOM 0 HG21 ILE A 60 0.854 -3.268 -2.816 1.00 10.00 H new ATOM 0 HG22 ILE A 60 1.208 -4.854 -2.091 1.00 10.00 H new ATOM 0 HG23 ILE A 60 1.651 -3.362 -1.227 1.00 10.00 H new ATOM 0 HD11 ILE A 60 3.105 -0.665 -4.347 1.00 10.00 H new ATOM 0 HD12 ILE A 60 2.765 -2.204 -5.174 1.00 10.00 H new ATOM 0 HD13 ILE A 60 1.632 -1.582 -3.951 1.00 10.00 H new ATOM 878 N GLN A 61 2.913 -6.649 -1.229 1.00 10.00 N ATOM 879 CA GLN A 61 2.568 -7.614 -0.182 1.00 10.00 C ATOM 880 C GLN A 61 3.793 -7.919 0.680 1.00 10.00 C ATOM 881 O GLN A 61 3.740 -7.784 1.898 1.00 10.00 O ATOM 882 CB GLN A 61 2.054 -8.941 -0.760 1.00 10.00 C ATOM 883 CG GLN A 61 0.555 -9.024 -1.065 1.00 10.00 C ATOM 884 CD GLN A 61 0.162 -8.316 -2.350 1.00 10.00 C ATOM 885 OE1 GLN A 61 -0.072 -7.015 -2.271 1.00 10.00 O flip ATOM 886 NE2 GLN A 61 0.046 -8.930 -3.409 1.00 10.00 N flip ATOM 0 H GLN A 61 2.582 -6.912 -2.157 1.00 10.00 H new ATOM 0 HA GLN A 61 1.776 -7.158 0.412 1.00 10.00 H new ATOM 0 HB2 GLN A 61 2.600 -9.145 -1.681 1.00 10.00 H new ATOM 0 HB3 GLN A 61 2.303 -9.737 -0.058 1.00 10.00 H new ATOM 0 HG2 GLN A 61 0.263 -10.072 -1.132 1.00 10.00 H new ATOM 0 HG3 GLN A 61 -0.002 -8.590 -0.235 1.00 10.00 H new ATOM 0 HE21 GLN A 61 0.233 -9.932 -3.441 1.00 10.00 H new ATOM 0 HE22 GLN A 61 -0.237 -8.437 -4.256 1.00 10.00 H new ATOM 895 N GLU A 62 4.891 -8.317 0.033 1.00 10.00 N ATOM 896 CA GLU A 62 6.166 -8.579 0.688 1.00 10.00 C ATOM 897 C GLU A 62 6.519 -7.527 1.735 1.00 10.00 C ATOM 898 O GLU A 62 6.776 -7.848 2.896 1.00 10.00 O ATOM 899 CB GLU A 62 7.266 -8.725 -0.383 1.00 10.00 C ATOM 900 CG GLU A 62 8.219 -9.900 -0.148 1.00 10.00 C ATOM 901 CD GLU A 62 9.301 -9.529 0.862 1.00 10.00 C ATOM 902 OE1 GLU A 62 10.028 -8.554 0.564 1.00 10.00 O ATOM 903 OE2 GLU A 62 9.390 -10.181 1.922 1.00 10.00 O ATOM 0 H GLU A 62 4.915 -8.467 -0.976 1.00 10.00 H new ATOM 0 HA GLU A 62 6.082 -9.515 1.241 1.00 10.00 H new ATOM 0 HB2 GLU A 62 6.794 -8.844 -1.358 1.00 10.00 H new ATOM 0 HB3 GLU A 62 7.846 -7.803 -0.420 1.00 10.00 H new ATOM 0 HG2 GLU A 62 7.658 -10.762 0.214 1.00 10.00 H new ATOM 0 HG3 GLU A 62 8.681 -10.193 -1.091 1.00 10.00 H new ATOM 910 N LYS A 63 6.527 -6.254 1.341 1.00 10.00 N ATOM 911 CA LYS A 63 6.820 -5.213 2.294 1.00 10.00 C ATOM 912 C LYS A 63 5.684 -5.039 3.301 1.00 10.00 C ATOM 913 O LYS A 63 5.970 -4.937 4.489 1.00 10.00 O ATOM 914 CB LYS A 63 7.221 -3.927 1.570 1.00 10.00 C ATOM 915 CG LYS A 63 8.706 -3.609 1.807 1.00 10.00 C ATOM 916 CD LYS A 63 9.633 -4.621 1.102 1.00 10.00 C ATOM 917 CE LYS A 63 10.464 -5.467 2.079 1.00 10.00 C ATOM 918 NZ LYS A 63 11.293 -6.461 1.367 1.00 10.00 N ATOM 0 H LYS A 63 6.338 -5.935 0.391 1.00 10.00 H new ATOM 0 HA LYS A 63 7.682 -5.506 2.893 1.00 10.00 H new ATOM 0 HB2 LYS A 63 7.033 -4.032 0.502 1.00 10.00 H new ATOM 0 HB3 LYS A 63 6.606 -3.099 1.922 1.00 10.00 H new ATOM 0 HG2 LYS A 63 8.924 -2.604 1.445 1.00 10.00 H new ATOM 0 HG3 LYS A 63 8.911 -3.614 2.877 1.00 10.00 H new ATOM 0 HD2 LYS A 63 9.030 -5.283 0.480 1.00 10.00 H new ATOM 0 HD3 LYS A 63 10.306 -4.083 0.435 1.00 10.00 H new ATOM 0 HE2 LYS A 63 11.105 -4.815 2.672 1.00 10.00 H new ATOM 0 HE3 LYS A 63 9.799 -5.978 2.775 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 11.841 -7.014 2.057 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.679 -7.098 0.821 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 11.944 -5.971 0.721 1.00 10.00 H new ATOM 932 N ILE A 64 4.420 -5.017 2.869 1.00 10.00 N ATOM 933 CA ILE A 64 3.272 -4.850 3.747 1.00 10.00 C ATOM 934 C ILE A 64 3.370 -5.841 4.925 1.00 10.00 C ATOM 935 O ILE A 64 3.206 -5.457 6.086 1.00 10.00 O ATOM 936 CB ILE A 64 1.954 -5.045 2.973 1.00 10.00 C ATOM 937 CG1 ILE A 64 1.654 -3.987 1.899 1.00 10.00 C ATOM 938 CG2 ILE A 64 0.813 -5.070 3.987 1.00 10.00 C ATOM 939 CD1 ILE A 64 1.104 -2.668 2.434 1.00 10.00 C ATOM 0 H ILE A 64 4.168 -5.116 1.886 1.00 10.00 H new ATOM 0 HA ILE A 64 3.275 -3.834 4.140 1.00 10.00 H new ATOM 0 HB ILE A 64 2.056 -5.981 2.424 1.00 10.00 H new ATOM 0 HG12 ILE A 64 2.570 -3.784 1.344 1.00 10.00 H new ATOM 0 HG13 ILE A 64 0.937 -4.402 1.191 1.00 10.00 H new ATOM 0 HG21 ILE A 64 -0.134 -5.207 3.465 1.00 10.00 H new ATOM 0 HG22 ILE A 64 0.965 -5.893 4.686 1.00 10.00 H new ATOM 0 HG23 ILE A 64 0.792 -4.128 4.535 1.00 10.00 H new ATOM 0 HD11 ILE A 64 0.923 -1.986 1.604 1.00 10.00 H new ATOM 0 HD12 ILE A 64 0.169 -2.852 2.963 1.00 10.00 H new ATOM 0 HD13 ILE A 64 1.826 -2.223 3.118 1.00 10.00 H new ATOM 951 N GLU A 65 3.671 -7.110 4.626 1.00 10.00 N ATOM 952 CA GLU A 65 3.876 -8.139 5.635 1.00 10.00 C ATOM 953 C GLU A 65 4.914 -7.672 6.659 1.00 10.00 C ATOM 954 O GLU A 65 4.695 -7.741 7.866 1.00 10.00 O ATOM 955 CB GLU A 65 4.281 -9.439 4.932 1.00 10.00 C ATOM 956 CG GLU A 65 3.073 -10.104 4.248 1.00 10.00 C ATOM 957 CD GLU A 65 2.106 -10.761 5.229 1.00 10.00 C ATOM 958 OE1 GLU A 65 2.593 -11.278 6.258 1.00 10.00 O ATOM 959 OE2 GLU A 65 0.896 -10.759 4.914 1.00 10.00 O ATOM 0 H GLU A 65 3.778 -7.447 3.669 1.00 10.00 H new ATOM 0 HA GLU A 65 2.956 -8.327 6.189 1.00 10.00 H new ATOM 0 HB2 GLU A 65 5.052 -9.229 4.190 1.00 10.00 H new ATOM 0 HB3 GLU A 65 4.715 -10.127 5.657 1.00 10.00 H new ATOM 0 HG2 GLU A 65 2.536 -9.354 3.667 1.00 10.00 H new ATOM 0 HG3 GLU A 65 3.432 -10.856 3.545 1.00 10.00 H new ATOM 966 N LYS A 66 6.037 -7.136 6.182 1.00 10.00 N ATOM 967 CA LYS A 66 7.121 -6.669 7.029 1.00 10.00 C ATOM 968 C LYS A 66 6.757 -5.412 7.815 1.00 10.00 C ATOM 969 O LYS A 66 7.196 -5.257 8.952 1.00 10.00 O ATOM 970 CB LYS A 66 8.357 -6.444 6.166 1.00 10.00 C ATOM 971 CG LYS A 66 9.658 -6.604 6.974 1.00 10.00 C ATOM 972 CD LYS A 66 10.735 -7.347 6.173 1.00 10.00 C ATOM 973 CE LYS A 66 10.357 -8.826 5.949 1.00 10.00 C ATOM 974 NZ LYS A 66 11.307 -9.763 6.586 1.00 10.00 N ATOM 0 H LYS A 66 6.216 -7.015 5.185 1.00 10.00 H new ATOM 0 HA LYS A 66 7.326 -7.435 7.777 1.00 10.00 H new ATOM 0 HB2 LYS A 66 8.355 -7.152 5.337 1.00 10.00 H new ATOM 0 HB3 LYS A 66 8.320 -5.445 5.732 1.00 10.00 H new ATOM 0 HG2 LYS A 66 10.031 -5.621 7.261 1.00 10.00 H new ATOM 0 HG3 LYS A 66 9.450 -7.148 7.895 1.00 10.00 H new ATOM 0 HD2 LYS A 66 10.876 -6.857 5.210 1.00 10.00 H new ATOM 0 HD3 LYS A 66 11.687 -7.290 6.702 1.00 10.00 H new ATOM 0 HE2 LYS A 66 9.357 -9.005 6.345 1.00 10.00 H new ATOM 0 HE3 LYS A 66 10.317 -9.028 4.879 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 11.005 -10.741 6.404 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 12.258 -9.615 6.191 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 11.328 -9.593 7.612 1.00 10.00 H new ATOM 988 N LEU A 67 5.952 -4.522 7.228 1.00 10.00 N ATOM 989 CA LEU A 67 5.333 -3.424 7.947 1.00 10.00 C ATOM 990 C LEU A 67 4.503 -3.944 9.130 1.00 10.00 C ATOM 991 O LEU A 67 4.244 -3.186 10.062 1.00 10.00 O ATOM 992 CB LEU A 67 4.492 -2.582 6.971 1.00 10.00 C ATOM 993 CG LEU A 67 5.255 -1.491 6.204 1.00 10.00 C ATOM 994 CD1 LEU A 67 5.884 -0.464 7.147 1.00 10.00 C ATOM 995 CD2 LEU A 67 6.298 -1.992 5.204 1.00 10.00 C ATOM 0 H LEU A 67 5.715 -4.550 6.236 1.00 10.00 H new ATOM 0 HA LEU A 67 6.107 -2.782 8.368 1.00 10.00 H new ATOM 0 HB2 LEU A 67 4.029 -3.253 6.247 1.00 10.00 H new ATOM 0 HB3 LEU A 67 3.684 -2.110 7.530 1.00 10.00 H new ATOM 0 HG LEU A 67 4.480 -1.015 5.604 1.00 10.00 H new ATOM 0 HD11 LEU A 67 6.414 0.289 6.564 1.00 10.00 H new ATOM 0 HD12 LEU A 67 5.102 0.016 7.735 1.00 10.00 H new ATOM 0 HD13 LEU A 67 6.585 -0.965 7.815 1.00 10.00 H new ATOM 0 HD21 LEU A 67 6.776 -1.141 4.719 1.00 10.00 H new ATOM 0 HD22 LEU A 67 7.051 -2.581 5.728 1.00 10.00 H new ATOM 0 HD23 LEU A 67 5.812 -2.612 4.451 1.00 10.00 H new ATOM 1007 N GLY A 68 4.113 -5.224 9.118 1.00 10.00 N ATOM 1008 CA GLY A 68 3.489 -5.898 10.245 1.00 10.00 C ATOM 1009 C GLY A 68 1.975 -5.933 10.089 1.00 10.00 C ATOM 1010 O GLY A 68 1.255 -5.933 11.085 1.00 10.00 O ATOM 0 H GLY A 68 4.228 -5.827 8.303 1.00 10.00 H new ATOM 0 HA2 GLY A 68 3.874 -6.915 10.324 1.00 10.00 H new ATOM 0 HA3 GLY A 68 3.751 -5.385 11.171 1.00 10.00 H new ATOM 1014 N TYR A 69 1.491 -5.950 8.844 1.00 10.00 N ATOM 1015 CA TYR A 69 0.064 -6.018 8.538 1.00 10.00 C ATOM 1016 C TYR A 69 -0.088 -6.921 7.325 1.00 10.00 C ATOM 1017 O TYR A 69 0.921 -7.267 6.724 1.00 10.00 O ATOM 1018 CB TYR A 69 -0.465 -4.614 8.226 1.00 10.00 C ATOM 1019 CG TYR A 69 -0.262 -3.606 9.339 1.00 10.00 C ATOM 1020 CD1 TYR A 69 0.993 -2.996 9.495 1.00 10.00 C ATOM 1021 CD2 TYR A 69 -1.329 -3.225 10.172 1.00 10.00 C ATOM 1022 CE1 TYR A 69 1.193 -2.026 10.486 1.00 10.00 C ATOM 1023 CE2 TYR A 69 -1.145 -2.209 11.127 1.00 10.00 C ATOM 1024 CZ TYR A 69 0.119 -1.620 11.295 1.00 10.00 C ATOM 1025 OH TYR A 69 0.285 -0.617 12.202 1.00 10.00 O ATOM 0 H TYR A 69 2.085 -5.917 8.016 1.00 10.00 H new ATOM 0 HA TYR A 69 -0.502 -6.411 9.382 1.00 10.00 H new ATOM 0 HB2 TYR A 69 0.026 -4.246 7.325 1.00 10.00 H new ATOM 0 HB3 TYR A 69 -1.530 -4.682 8.003 1.00 10.00 H new ATOM 0 HD1 TYR A 69 1.810 -3.276 8.847 1.00 10.00 H new ATOM 0 HD2 TYR A 69 -2.288 -3.712 10.079 1.00 10.00 H new ATOM 0 HE1 TYR A 69 2.171 -1.591 10.628 1.00 10.00 H new ATOM 0 HE2 TYR A 69 -1.977 -1.881 11.732 1.00 10.00 H new ATOM 0 HH TYR A 69 -0.558 -0.462 12.677 1.00 10.00 H new ATOM 1035 N HIS A 70 -1.314 -7.272 6.926 1.00 10.00 N ATOM 1036 CA HIS A 70 -1.533 -7.948 5.671 1.00 10.00 C ATOM 1037 C HIS A 70 -2.596 -7.188 4.886 1.00 10.00 C ATOM 1038 O HIS A 70 -3.634 -6.797 5.429 1.00 10.00 O ATOM 1039 CB HIS A 70 -1.821 -9.434 5.886 1.00 10.00 C ATOM 1040 CG HIS A 70 -3.239 -9.847 6.178 1.00 10.00 C ATOM 1041 ND1 HIS A 70 -4.018 -10.662 5.389 1.00 10.00 N ATOM 1042 CD2 HIS A 70 -3.946 -9.581 7.315 1.00 10.00 C ATOM 1043 CE1 HIS A 70 -5.185 -10.848 6.031 1.00 10.00 C ATOM 1044 NE2 HIS A 70 -5.197 -10.196 7.206 1.00 10.00 N ATOM 0 H HIS A 70 -2.162 -7.093 7.464 1.00 10.00 H new ATOM 0 HA HIS A 70 -0.630 -7.942 5.061 1.00 10.00 H new ATOM 0 HB2 HIS A 70 -1.495 -9.969 4.994 1.00 10.00 H new ATOM 0 HB3 HIS A 70 -1.197 -9.779 6.711 1.00 10.00 H new ATOM 0 HD1 HIS A 70 -3.758 -11.053 4.484 1.00 10.00 H new ATOM 0 HD2 HIS A 70 -3.599 -8.996 8.154 1.00 10.00 H new ATOM 0 HE1 HIS A 70 -6.004 -11.442 5.653 1.00 10.00 H new ATOM 1052 N VAL A 71 -2.277 -6.930 3.620 1.00 10.00 N ATOM 1053 CA VAL A 71 -3.180 -6.322 2.655 1.00 10.00 C ATOM 1054 C VAL A 71 -3.994 -7.420 1.973 1.00 10.00 C ATOM 1055 O VAL A 71 -3.515 -8.546 1.838 1.00 10.00 O ATOM 1056 CB VAL A 71 -2.386 -5.454 1.664 1.00 10.00 C ATOM 1057 CG1 VAL A 71 -1.404 -6.260 0.805 1.00 10.00 C ATOM 1058 CG2 VAL A 71 -3.295 -4.632 0.754 1.00 10.00 C ATOM 0 H VAL A 71 -1.359 -7.145 3.230 1.00 10.00 H new ATOM 0 HA VAL A 71 -3.884 -5.655 3.153 1.00 10.00 H new ATOM 0 HB VAL A 71 -1.807 -4.777 2.293 1.00 10.00 H new ATOM 0 HG11 VAL A 71 -0.876 -5.588 0.128 1.00 10.00 H new ATOM 0 HG12 VAL A 71 -0.684 -6.763 1.451 1.00 10.00 H new ATOM 0 HG13 VAL A 71 -1.952 -7.002 0.225 1.00 10.00 H new ATOM 0 HG21 VAL A 71 -2.686 -4.037 0.073 1.00 10.00 H new ATOM 0 HG22 VAL A 71 -3.935 -5.301 0.178 1.00 10.00 H new ATOM 0 HG23 VAL A 71 -3.914 -3.970 1.360 1.00 10.00 H new ATOM 1068 N VAL A 72 -5.216 -7.097 1.543 1.00 10.00 N ATOM 1069 CA VAL A 72 -6.069 -8.013 0.796 1.00 10.00 C ATOM 1070 C VAL A 72 -6.298 -7.465 -0.610 1.00 10.00 C ATOM 1071 O VAL A 72 -7.003 -6.472 -0.793 1.00 10.00 O ATOM 1072 CB VAL A 72 -7.403 -8.276 1.521 1.00 10.00 C ATOM 1073 CG1 VAL A 72 -7.308 -9.522 2.389 1.00 10.00 C ATOM 1074 CG2 VAL A 72 -7.845 -7.124 2.419 1.00 10.00 C ATOM 0 H VAL A 72 -5.641 -6.184 1.707 1.00 10.00 H new ATOM 0 HA VAL A 72 -5.562 -8.975 0.723 1.00 10.00 H new ATOM 0 HB VAL A 72 -8.140 -8.399 0.727 1.00 10.00 H new ATOM 0 HG11 VAL A 72 -8.261 -9.689 2.892 1.00 10.00 H new ATOM 0 HG12 VAL A 72 -7.071 -10.383 1.764 1.00 10.00 H new ATOM 0 HG13 VAL A 72 -6.524 -9.388 3.134 1.00 10.00 H new ATOM 0 HG21 VAL A 72 -8.791 -7.378 2.897 1.00 10.00 H new ATOM 0 HG22 VAL A 72 -7.088 -6.947 3.183 1.00 10.00 H new ATOM 0 HG23 VAL A 72 -7.972 -6.223 1.819 1.00 10.00 H new ATOM 1084 N ILE A 73 -5.764 -8.165 -1.614 1.00 10.00 N ATOM 1085 CA ILE A 73 -6.105 -7.921 -3.006 1.00 10.00 C ATOM 1086 C ILE A 73 -7.404 -8.681 -3.275 1.00 10.00 C ATOM 1087 O ILE A 73 -7.425 -9.675 -3.998 1.00 10.00 O ATOM 1088 CB ILE A 73 -4.968 -8.369 -3.948 1.00 10.00 C ATOM 1089 CG1 ILE A 73 -3.581 -7.859 -3.522 1.00 10.00 C ATOM 1090 CG2 ILE A 73 -5.288 -7.923 -5.385 1.00 10.00 C ATOM 1091 CD1 ILE A 73 -3.470 -6.333 -3.494 1.00 10.00 C ATOM 0 H ILE A 73 -5.085 -8.914 -1.479 1.00 10.00 H new ATOM 0 HA ILE A 73 -6.241 -6.856 -3.197 1.00 10.00 H new ATOM 0 HB ILE A 73 -4.917 -9.456 -3.892 1.00 10.00 H new ATOM 0 HG12 ILE A 73 -3.348 -8.250 -2.531 1.00 10.00 H new ATOM 0 HG13 ILE A 73 -2.831 -8.257 -4.206 1.00 10.00 H new ATOM 0 HG21 ILE A 73 -4.485 -8.239 -6.051 1.00 10.00 H new ATOM 0 HG22 ILE A 73 -6.226 -8.376 -5.706 1.00 10.00 H new ATOM 0 HG23 ILE A 73 -5.380 -6.837 -5.417 1.00 10.00 H new ATOM 0 HD11 ILE A 73 -2.465 -6.047 -3.185 1.00 10.00 H new ATOM 0 HD12 ILE A 73 -3.671 -5.935 -4.489 1.00 10.00 H new ATOM 0 HD13 ILE A 73 -4.196 -5.928 -2.788 1.00 10.00 H new ATOM 1103 N GLU A 74 -8.487 -8.205 -2.662 1.00 10.00 N ATOM 1104 CA GLU A 74 -9.839 -8.542 -3.078 1.00 10.00 C ATOM 1105 C GLU A 74 -10.421 -7.305 -3.756 1.00 10.00 C ATOM 1106 O GLU A 74 -9.927 -6.198 -3.537 1.00 10.00 O ATOM 1107 CB GLU A 74 -10.702 -9.000 -1.892 1.00 10.00 C ATOM 1108 CG GLU A 74 -11.637 -10.138 -2.331 1.00 10.00 C ATOM 1109 CD GLU A 74 -12.888 -10.210 -1.469 1.00 10.00 C ATOM 1110 OE1 GLU A 74 -12.826 -10.899 -0.429 1.00 10.00 O ATOM 1111 OE2 GLU A 74 -13.882 -9.573 -1.878 1.00 10.00 O ATOM 0 H GLU A 74 -8.447 -7.574 -1.862 1.00 10.00 H new ATOM 0 HA GLU A 74 -9.824 -9.383 -3.771 1.00 10.00 H new ATOM 0 HB2 GLU A 74 -10.063 -9.337 -1.076 1.00 10.00 H new ATOM 0 HB3 GLU A 74 -11.288 -8.163 -1.513 1.00 10.00 H new ATOM 0 HG2 GLU A 74 -11.922 -9.992 -3.373 1.00 10.00 H new ATOM 0 HG3 GLU A 74 -11.104 -11.087 -2.277 1.00 10.00 H new ATOM 1118 N GLY A 75 -11.450 -7.501 -4.578 1.00 10.00 N ATOM 1119 CA GLY A 75 -12.078 -6.467 -5.379 1.00 10.00 C ATOM 1120 C GLY A 75 -11.884 -6.801 -6.852 1.00 10.00 C ATOM 1121 O GLY A 75 -12.786 -7.347 -7.484 1.00 10.00 O ATOM 0 H GLY A 75 -11.880 -8.417 -4.705 1.00 10.00 H new ATOM 0 HA2 GLY A 75 -13.140 -6.401 -5.144 1.00 10.00 H new ATOM 0 HA3 GLY A 75 -11.640 -5.495 -5.152 1.00 10.00 H new ATOM 1125 N ARG A 76 -10.709 -6.482 -7.397 1.00 10.00 N ATOM 1126 CA ARG A 76 -10.315 -6.708 -8.775 1.00 10.00 C ATOM 1127 C ARG A 76 -8.822 -6.347 -8.817 1.00 10.00 C ATOM 1128 O ARG A 76 -8.278 -6.108 -7.716 1.00 10.00 O ATOM 1129 CB ARG A 76 -11.182 -5.846 -9.725 1.00 10.00 C ATOM 1130 CG ARG A 76 -11.426 -6.483 -11.109 1.00 10.00 C ATOM 1131 CD ARG A 76 -10.893 -5.615 -12.256 1.00 10.00 C ATOM 1132 NE ARG A 76 -9.448 -5.458 -12.079 1.00 10.00 N ATOM 1133 CZ ARG A 76 -8.477 -5.848 -12.910 1.00 10.00 C ATOM 1134 NH1 ARG A 76 -8.672 -5.866 -14.233 1.00 10.00 N ATOM 1135 NH2 ARG A 76 -7.320 -6.231 -12.368 1.00 10.00 N ATOM 1136 OXT ARG A 76 -8.249 -6.280 -9.929 1.00 10.00 O ATOM 0 H ARG A 76 -9.971 -6.035 -6.853 1.00 10.00 H new ATOM 0 HA ARG A 76 -10.467 -7.734 -9.110 1.00 10.00 H new ATOM 0 HB2 ARG A 76 -12.144 -5.657 -9.249 1.00 10.00 H new ATOM 0 HB3 ARG A 76 -10.699 -4.879 -9.863 1.00 10.00 H new ATOM 0 HG2 ARG A 76 -10.947 -7.461 -11.145 1.00 10.00 H new ATOM 0 HG3 ARG A 76 -12.495 -6.646 -11.247 1.00 10.00 H new ATOM 0 HD2 ARG A 76 -11.110 -6.081 -13.217 1.00 10.00 H new ATOM 0 HD3 ARG A 76 -11.384 -4.642 -12.256 1.00 10.00 H new ATOM 0 HE ARG A 76 -9.147 -4.997 -11.220 1.00 10.00 H new ATOM 0 HH11 ARG A 76 -9.571 -5.580 -14.620 1.00 10.00 H new ATOM 0 HH12 ARG A 76 -7.921 -6.166 -14.855 1.00 10.00 H new ATOM 0 HH21 ARG A 76 -7.203 -6.219 -11.355 1.00 10.00 H new ATOM 0 HH22 ARG A 76 -6.553 -6.536 -12.967 1.00 10.00 H new TER 1150 ARG A 76 END