USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) HEADER HYDROLASE 20-SEP-00 1FVQ TITLE SOLUTION STRUCTURE OF THE YEAST COPPER TRANSPORTER DOMAIN TITLE 2 CCC2A IN THE APO AND CU(I) LOADED STATES COMPND MOL_ID: 1; COMPND 2 MOLECULE: COPPER-TRANSPORTING ATPASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CCC2A DOMAIN; COMPND 5 EC: 3.6.1.36; COMPND 6 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST; SOURCE 4 ORGANISM_TAXID: 4932; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PDLHV021 KEYWDS APO-CCC2A, HYDROLASE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR L.BANCI,I.BERTINI,S.CIOFI BAFFONI,D.L.HUFFMAN,T.V.O'HALLORAN REVDAT 3 24-FEB-09 1FVQ 1 VERSN REVDAT 2 01-APR-03 1FVQ 1 JRNL REVDAT 1 14-MAR-01 1FVQ 0 JRNL AUTH L.BANCI,I.BERTINI,S.CIOFI-BAFFONI,D.L.HUFFMAN, JRNL AUTH 2 T.V.O'HALLORAN JRNL TITL SOLUTION STRUCTURE OF THE YEAST COPPER TRANSPORTER JRNL TITL 2 DOMAIN CCC2A IN THE APO AND CU(I)-LOADED STATES. JRNL REF J.BIOL.CHEM. V. 276 8415 2001 JRNL REFN ISSN 0021-9258 JRNL PMID 11083871 JRNL DOI 10.1074/JBC.M008389200 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 6 REMARK 3 AUTHORS : CASE, KOLLMAN ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: 1960 MEANINGFUL NOES, 35 DIHEDRAL REMARK 3 ANGLE RESTRAINTS COUPLINGS REMARK 4 REMARK 4 1FVQ COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-OCT-00. REMARK 100 THE RCSB ID CODE IS RCSB011940. 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 : 100MM PHOSPHATE REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2.2MM APO-CCC2A(15N); 100MM REMARK 210 PHOSPHATE BUFFER NA REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D NOESY-15N HMQC, REMARK 210 HNHA, 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 800 MHZ, 600 MHZ, 500 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR, XEASY, DIANA, CORMA REMARK 210 METHOD USED : SIMULATED ANNEALING TORSION REMARK 210 ANGLE DYNAMICS RESTRAINED REMARK 210 ENERGY MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL 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 THR A 12 22.04 -146.74 REMARK 500 LEU A 27 -73.79 -63.84 REMARK 500 LYS A 28 -69.74 -172.07 REMARK 500 VAL A 38 -65.93 -125.25 REMARK 500 ASP A 71 52.95 -113.48 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FVS RELATED DB: PDB REMARK 900 1FVS CONTAINS THE SAME PROTEIN IN THE COPPER STATE. DBREF 1FVQ A 1 72 UNP P38995 ATU2_YEAST 1 72 SEQADV 1FVQ ALA A 1 UNP P38995 MET 1 EXPRESSION TAG SEQRES 1 A 72 ALA ARG GLU VAL ILE LEU ALA VAL HIS GLY MET THR CYS SEQRES 2 A 72 SER ALA CYS THR ASN THR ILE ASN THR GLN LEU ARG ALA SEQRES 3 A 72 LEU LYS GLY VAL THR LYS CYS ASP ILE SER LEU VAL THR SEQRES 4 A 72 ASN GLU CYS GLN VAL THR TYR ASP ASN GLU VAL THR ALA SEQRES 5 A 72 ASP SER ILE LYS GLU ILE ILE GLU ASP CYS GLY PHE ASP SEQRES 6 A 72 CYS GLU ILE LEU ARG ASP SER HELIX 1 1 CYS A 13 ALA A 26 1 14 HELIX 2 2 THR A 51 GLY A 63 1 13 SHEET 1 A 4 VAL A 30 CYS A 33 0 SHEET 2 A 4 GLU A 41 TYR A 46 -1 O THR A 45 N THR A 31 SHEET 3 A 4 ARG A 2 VAL A 8 -1 N ARG A 2 O TYR A 46 SHEET 4 A 4 CYS A 66 ARG A 70 -1 O GLU A 67 N ALA A 7 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 17 THR OG1 : rot -170:sc= -0.258 USER MOD Set 1.2: A 21 ASN : amide:sc= -1.83 X(o=-0.9,f=-0.63) USER MOD Set 1.3: A 22 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 1 ALA N :NH3+ -129:sc= 1.11 (180deg=-0.906) USER MOD Single : A 9 HIS : no HD1:sc=-0.00843 X(o=-0.0084,f=-0.0084) USER MOD Single : A 11 MET CE :methyl -172:sc= -0.0117 (180deg=-0.0571) USER MOD Single : A 12 THR OG1 : rot -45:sc= 0.119 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.114 USER MOD Single : A 14 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 16 CYS SG : rot -112:sc= 0.00124 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.16) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.379 X(o=0.38,f=-0.012) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -37:sc= 0.419 USER MOD Single : A 32 LYS NZ :NH3+ -121:sc= 0.187 (180deg=-1.2!) USER MOD Single : A 33 CYS SG : rot 24:sc= -0.324 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 164:sc= 1.35 USER MOD Single : A 40 ASN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 42 CYS SG : rot -140:sc= -1.02 USER MOD Single : A 43 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.72) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -56:sc= 1.23 USER MOD Single : A 48 ASN : amide:sc= 1.14 K(o=1.1,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.823 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -148:sc= 2.06 (180deg=-0.706) USER MOD Single : A 62 CYS SG : rot 77:sc= 0.0762 USER MOD Single : A 66 CYS SG : rot -89:sc= -0.955 USER MOD Single : A 72 SER OG : rot 65:sc= 0.767 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.320 2.451 15.104 1.00 0.00 N ATOM 2 CA ALA A 1 -5.028 2.147 13.696 1.00 0.00 C ATOM 3 C ALA A 1 -5.850 0.969 13.183 1.00 0.00 C ATOM 4 O ALA A 1 -6.013 -0.038 13.866 1.00 0.00 O ATOM 5 CB ALA A 1 -3.529 1.996 13.423 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.532 3.464 15.204 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.140 1.893 15.417 1.00 0.00 H new ATOM 0 H3 ALA A 1 -4.495 2.211 15.689 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.343 3.015 13.117 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -3.372 1.772 12.368 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.018 2.924 13.677 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.129 1.184 14.030 1.00 0.00 H new ATOM 12 N ARG A 2 -6.395 1.179 11.989 1.00 0.00 N ATOM 13 CA ARG A 2 -7.064 0.277 11.081 1.00 0.00 C ATOM 14 C ARG A 2 -5.999 -0.382 10.197 1.00 0.00 C ATOM 15 O ARG A 2 -4.839 0.029 10.193 1.00 0.00 O ATOM 16 CB ARG A 2 -7.998 1.182 10.257 1.00 0.00 C ATOM 17 CG ARG A 2 -8.737 0.577 9.063 1.00 0.00 C ATOM 18 CD ARG A 2 -9.692 -0.553 9.461 1.00 0.00 C ATOM 19 NE ARG A 2 -11.035 -0.265 8.949 1.00 0.00 N ATOM 20 CZ ARG A 2 -12.156 0.036 9.609 1.00 0.00 C ATOM 21 NH1 ARG A 2 -12.205 -0.006 10.945 1.00 0.00 N ATOM 22 NH2 ARG A 2 -13.223 0.387 8.892 1.00 0.00 N ATOM 0 H ARG A 2 -6.369 2.117 11.590 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.624 -0.518 11.572 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.746 1.592 10.936 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -7.407 2.021 9.890 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.301 1.360 8.557 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.009 0.195 8.347 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.335 -1.502 9.061 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.719 -0.654 10.546 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.127 -0.300 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.377 -0.271 11.478 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.071 0.227 11.431 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.166 0.419 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.097 0.624 9.361 1.00 0.00 H new ATOM 36 N GLU A 3 -6.411 -1.386 9.428 1.00 0.00 N ATOM 37 CA GLU A 3 -5.620 -1.999 8.378 1.00 0.00 C ATOM 38 C GLU A 3 -6.407 -1.850 7.079 1.00 0.00 C ATOM 39 O GLU A 3 -7.617 -2.070 7.101 1.00 0.00 O ATOM 40 CB GLU A 3 -5.392 -3.476 8.720 1.00 0.00 C ATOM 41 CG GLU A 3 -4.260 -4.085 7.888 1.00 0.00 C ATOM 42 CD GLU A 3 -4.010 -5.525 8.307 1.00 0.00 C ATOM 43 OE1 GLU A 3 -3.484 -5.695 9.427 1.00 0.00 O ATOM 44 OE2 GLU A 3 -4.343 -6.420 7.498 1.00 0.00 O ATOM 0 H GLU A 3 -7.336 -1.805 9.526 1.00 0.00 H new ATOM 0 HA GLU A 3 -4.644 -1.525 8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.156 -3.571 9.780 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.311 -4.035 8.547 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.517 -4.047 6.829 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -3.350 -3.499 8.016 1.00 0.00 H new ATOM 51 N VAL A 4 -5.751 -1.484 5.974 1.00 0.00 N ATOM 52 CA VAL A 4 -6.308 -1.690 4.641 1.00 0.00 C ATOM 53 C VAL A 4 -5.442 -2.721 3.931 1.00 0.00 C ATOM 54 O VAL A 4 -4.234 -2.783 4.173 1.00 0.00 O ATOM 55 CB VAL A 4 -6.439 -0.367 3.860 1.00 0.00 C ATOM 56 CG1 VAL A 4 -5.077 0.221 3.488 1.00 0.00 C ATOM 57 CG2 VAL A 4 -7.280 -0.492 2.585 1.00 0.00 C ATOM 0 H VAL A 4 -4.831 -1.043 5.980 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.328 -2.069 4.711 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.955 0.304 4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.220 1.152 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.506 0.419 4.395 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -4.533 -0.488 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.330 0.476 2.086 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.822 -1.221 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -8.287 -0.819 2.844 1.00 0.00 H new ATOM 67 N ILE A 5 -6.067 -3.516 3.063 1.00 0.00 N ATOM 68 CA ILE A 5 -5.419 -4.530 2.266 1.00 0.00 C ATOM 69 C ILE A 5 -5.829 -4.308 0.805 1.00 0.00 C ATOM 70 O ILE A 5 -7.017 -4.183 0.479 1.00 0.00 O ATOM 71 CB ILE A 5 -5.731 -5.922 2.850 1.00 0.00 C ATOM 72 CG1 ILE A 5 -4.416 -6.696 3.016 1.00 0.00 C ATOM 73 CG2 ILE A 5 -6.771 -6.698 2.054 1.00 0.00 C ATOM 74 CD1 ILE A 5 -4.610 -8.173 3.359 1.00 0.00 C ATOM 0 H ILE A 5 -7.072 -3.461 2.898 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.331 -4.464 2.292 1.00 0.00 H new ATOM 0 HB ILE A 5 -6.194 -5.785 3.827 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.841 -6.619 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.824 -6.225 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.940 -7.667 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.706 -6.137 2.033 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.413 -6.846 1.035 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.637 -8.654 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.157 -8.260 4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.174 -8.660 2.564 1.00 0.00 H new ATOM 86 N LEU A 6 -4.835 -4.194 -0.074 1.00 0.00 N ATOM 87 CA LEU A 6 -5.041 -3.884 -1.476 1.00 0.00 C ATOM 88 C LEU A 6 -4.129 -4.764 -2.323 1.00 0.00 C ATOM 89 O LEU A 6 -3.016 -5.090 -1.913 1.00 0.00 O ATOM 90 CB LEU A 6 -4.870 -2.378 -1.736 1.00 0.00 C ATOM 91 CG LEU A 6 -3.530 -1.762 -1.317 1.00 0.00 C ATOM 92 CD1 LEU A 6 -3.252 -0.557 -2.219 1.00 0.00 C ATOM 93 CD2 LEU A 6 -3.539 -1.278 0.140 1.00 0.00 C ATOM 0 H LEU A 6 -3.854 -4.317 0.177 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.067 -4.111 -1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.011 -2.197 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.667 -1.849 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.764 -2.531 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.302 -0.103 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.204 -0.883 -3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.052 0.175 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.567 -0.850 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.312 -0.520 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.744 -2.120 0.802 1.00 0.00 H new ATOM 105 N ALA A 7 -4.626 -5.182 -3.486 1.00 0.00 N ATOM 106 CA ALA A 7 -3.900 -6.024 -4.419 1.00 0.00 C ATOM 107 C ALA A 7 -3.035 -5.102 -5.274 1.00 0.00 C ATOM 108 O ALA A 7 -3.573 -4.170 -5.866 1.00 0.00 O ATOM 109 CB ALA A 7 -4.904 -6.812 -5.265 1.00 0.00 C ATOM 0 H ALA A 7 -5.563 -4.937 -3.807 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.263 -6.748 -3.911 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.367 -7.448 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.521 -7.432 -4.614 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.540 -6.118 -5.815 1.00 0.00 H new ATOM 115 N VAL A 8 -1.719 -5.333 -5.307 1.00 0.00 N ATOM 116 CA VAL A 8 -0.748 -4.548 -6.059 1.00 0.00 C ATOM 117 C VAL A 8 -0.191 -5.432 -7.176 1.00 0.00 C ATOM 118 O VAL A 8 0.622 -6.328 -6.939 1.00 0.00 O ATOM 119 CB VAL A 8 0.373 -4.042 -5.129 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.499 -3.446 -5.970 1.00 0.00 C ATOM 121 CG2 VAL A 8 -0.089 -2.952 -4.151 1.00 0.00 C ATOM 0 H VAL A 8 -1.290 -6.101 -4.790 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.222 -3.668 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 8 0.698 -4.906 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.292 -3.088 -5.314 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.897 -4.210 -6.638 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.112 -2.615 -6.559 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.750 -2.643 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.460 -2.094 -4.711 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.885 -3.344 -3.519 1.00 0.00 H new ATOM 131 N HIS A 9 -0.586 -5.139 -8.411 1.00 0.00 N ATOM 132 CA HIS A 9 -0.072 -5.804 -9.592 1.00 0.00 C ATOM 133 C HIS A 9 1.243 -5.119 -9.990 1.00 0.00 C ATOM 134 O HIS A 9 1.744 -4.250 -9.275 1.00 0.00 O ATOM 135 CB HIS A 9 -1.147 -5.725 -10.685 1.00 0.00 C ATOM 136 CG HIS A 9 -2.537 -6.034 -10.171 1.00 0.00 C ATOM 137 ND1 HIS A 9 -2.913 -7.172 -9.491 1.00 0.00 N ATOM 138 CD2 HIS A 9 -3.588 -5.156 -10.112 1.00 0.00 C ATOM 139 CE1 HIS A 9 -4.170 -6.986 -9.053 1.00 0.00 C ATOM 140 NE2 HIS A 9 -4.624 -5.774 -9.406 1.00 0.00 N ATOM 0 H HIS A 9 -1.282 -4.422 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 9 0.147 -6.858 -9.420 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -1.141 -4.726 -11.122 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -0.897 -6.424 -11.484 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -3.611 -4.163 -10.536 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -4.738 -7.714 -8.493 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -5.543 -5.381 -9.200 1.00 0.00 H new ATOM 148 N GLY A 10 1.836 -5.510 -11.118 1.00 0.00 N ATOM 149 CA GLY A 10 3.030 -4.854 -11.639 1.00 0.00 C ATOM 150 C GLY A 10 4.309 -5.264 -10.900 1.00 0.00 C ATOM 151 O GLY A 10 5.257 -5.715 -11.542 1.00 0.00 O ATOM 0 H GLY A 10 1.503 -6.285 -11.691 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.136 -5.092 -12.697 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.905 -3.774 -11.566 1.00 0.00 H new ATOM 155 N MET A 11 4.359 -5.090 -9.572 1.00 0.00 N ATOM 156 CA MET A 11 5.517 -5.439 -8.756 1.00 0.00 C ATOM 157 C MET A 11 6.096 -6.801 -9.124 1.00 0.00 C ATOM 158 O MET A 11 5.388 -7.808 -9.069 1.00 0.00 O ATOM 159 CB MET A 11 5.167 -5.506 -7.270 1.00 0.00 C ATOM 160 CG MET A 11 4.982 -4.145 -6.615 1.00 0.00 C ATOM 161 SD MET A 11 5.456 -4.147 -4.869 1.00 0.00 S ATOM 162 CE MET A 11 4.374 -5.429 -4.205 1.00 0.00 C ATOM 0 H MET A 11 3.586 -4.699 -9.034 1.00 0.00 H new ATOM 0 HA MET A 11 6.244 -4.650 -8.950 1.00 0.00 H new ATOM 0 HB2 MET A 11 4.250 -6.083 -7.149 1.00 0.00 H new ATOM 0 HB3 MET A 11 5.955 -6.046 -6.746 1.00 0.00 H new ATOM 0 HG2 MET A 11 5.577 -3.404 -7.149 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.939 -3.841 -6.705 1.00 0.00 H new ATOM 0 HE1 MET A 11 4.452 -5.443 -3.118 1.00 0.00 H new ATOM 0 HE2 MET A 11 3.344 -5.220 -4.493 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.672 -6.399 -4.603 1.00 0.00 H new ATOM 172 N THR A 12 7.397 -6.810 -9.427 1.00 0.00 N ATOM 173 CA THR A 12 8.145 -8.009 -9.769 1.00 0.00 C ATOM 174 C THR A 12 9.600 -7.898 -9.270 1.00 0.00 C ATOM 175 O THR A 12 10.489 -8.584 -9.768 1.00 0.00 O ATOM 176 CB THR A 12 7.989 -8.248 -11.286 1.00 0.00 C ATOM 177 OG1 THR A 12 8.424 -9.540 -11.655 1.00 0.00 O ATOM 178 CG2 THR A 12 8.708 -7.194 -12.137 1.00 0.00 C ATOM 0 H THR A 12 7.966 -5.963 -9.440 1.00 0.00 H new ATOM 0 HA THR A 12 7.754 -8.892 -9.264 1.00 0.00 H new ATOM 0 HB THR A 12 6.922 -8.160 -11.489 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.280 -9.734 -11.220 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.561 -7.417 -13.194 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.301 -6.207 -11.914 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.774 -7.207 -11.908 1.00 0.00 H new ATOM 186 N CYS A 13 9.868 -7.042 -8.270 1.00 0.00 N ATOM 187 CA CYS A 13 11.200 -6.917 -7.678 1.00 0.00 C ATOM 188 C CYS A 13 11.131 -6.155 -6.352 1.00 0.00 C ATOM 189 O CYS A 13 10.215 -5.361 -6.144 1.00 0.00 O ATOM 190 CB CYS A 13 12.159 -6.205 -8.640 1.00 0.00 C ATOM 191 SG CYS A 13 13.844 -6.572 -8.103 1.00 0.00 S ATOM 0 H CYS A 13 9.170 -6.424 -7.856 1.00 0.00 H new ATOM 0 HA CYS A 13 11.578 -7.921 -7.488 1.00 0.00 H new ATOM 0 HB2 CYS A 13 12.000 -6.548 -9.662 1.00 0.00 H new ATOM 0 HB3 CYS A 13 11.980 -5.130 -8.633 1.00 0.00 H new ATOM 0 HG CYS A 13 14.690 -5.986 -8.897 1.00 0.00 H new ATOM 197 N SER A 14 12.077 -6.383 -5.439 1.00 0.00 N ATOM 198 CA SER A 14 12.036 -5.859 -4.082 1.00 0.00 C ATOM 199 C SER A 14 12.072 -4.337 -4.022 1.00 0.00 C ATOM 200 O SER A 14 11.368 -3.731 -3.214 1.00 0.00 O ATOM 201 CB SER A 14 13.172 -6.491 -3.272 1.00 0.00 C ATOM 202 OG SER A 14 13.373 -7.822 -3.719 1.00 0.00 O ATOM 0 H SER A 14 12.905 -6.947 -5.630 1.00 0.00 H new ATOM 0 HA SER A 14 11.077 -6.132 -3.642 1.00 0.00 H new ATOM 0 HB2 SER A 14 14.087 -5.911 -3.392 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.927 -6.484 -2.210 1.00 0.00 H new ATOM 0 HG SER A 14 14.100 -8.233 -3.206 1.00 0.00 H new ATOM 208 N ALA A 15 12.849 -3.720 -4.915 1.00 0.00 N ATOM 209 CA ALA A 15 12.855 -2.274 -5.085 1.00 0.00 C ATOM 210 C ALA A 15 11.424 -1.733 -5.160 1.00 0.00 C ATOM 211 O ALA A 15 11.128 -0.659 -4.635 1.00 0.00 O ATOM 212 CB ALA A 15 13.641 -1.910 -6.346 1.00 0.00 C ATOM 0 H ALA A 15 13.489 -4.212 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 15 13.339 -1.816 -4.223 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.645 -0.827 -6.472 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.666 -2.268 -6.252 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.173 -2.375 -7.214 1.00 0.00 H new ATOM 218 N CYS A 16 10.524 -2.489 -5.797 1.00 0.00 N ATOM 219 CA CYS A 16 9.158 -2.063 -5.996 1.00 0.00 C ATOM 220 C CYS A 16 8.452 -1.901 -4.653 1.00 0.00 C ATOM 221 O CYS A 16 7.994 -0.811 -4.316 1.00 0.00 O ATOM 222 CB CYS A 16 8.392 -3.024 -6.909 1.00 0.00 C ATOM 223 SG CYS A 16 9.235 -3.355 -8.480 1.00 0.00 S ATOM 0 H CYS A 16 10.733 -3.409 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 16 9.179 -1.095 -6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.237 -3.966 -6.383 1.00 0.00 H new ATOM 0 HB3 CYS A 16 7.406 -2.608 -7.115 1.00 0.00 H new ATOM 0 HG CYS A 16 8.553 -2.835 -9.457 1.00 0.00 H new ATOM 229 N THR A 17 8.387 -2.982 -3.871 1.00 0.00 N ATOM 230 CA THR A 17 7.774 -2.940 -2.548 1.00 0.00 C ATOM 231 C THR A 17 8.450 -1.898 -1.681 1.00 0.00 C ATOM 232 O THR A 17 7.755 -1.092 -1.075 1.00 0.00 O ATOM 233 CB THR A 17 7.684 -4.316 -1.880 1.00 0.00 C ATOM 234 OG1 THR A 17 7.376 -4.171 -0.511 1.00 0.00 O ATOM 235 CG2 THR A 17 8.928 -5.192 -1.993 1.00 0.00 C ATOM 0 H THR A 17 8.753 -3.897 -4.135 1.00 0.00 H new ATOM 0 HA THR A 17 6.736 -2.633 -2.678 1.00 0.00 H new ATOM 0 HB THR A 17 6.897 -4.828 -2.433 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.475 -5.035 -0.060 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.752 -6.141 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.148 -5.378 -3.044 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.774 -4.684 -1.530 1.00 0.00 H new ATOM 243 N ASN A 18 9.783 -1.855 -1.691 1.00 0.00 N ATOM 244 CA ASN A 18 10.529 -0.810 -0.994 1.00 0.00 C ATOM 245 C ASN A 18 9.912 0.552 -1.298 1.00 0.00 C ATOM 246 O ASN A 18 9.528 1.278 -0.379 1.00 0.00 O ATOM 247 CB ASN A 18 12.018 -0.841 -1.364 1.00 0.00 C ATOM 248 CG ASN A 18 12.826 -1.710 -0.408 1.00 0.00 C ATOM 249 OD1 ASN A 18 13.021 -2.898 -0.643 1.00 0.00 O ATOM 250 ND2 ASN A 18 13.324 -1.120 0.676 1.00 0.00 N ATOM 0 H ASN A 18 10.369 -2.535 -2.176 1.00 0.00 H new ATOM 0 HA ASN A 18 10.464 -0.994 0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.131 -1.218 -2.380 1.00 0.00 H new ATOM 0 HB3 ASN A 18 12.415 0.174 -1.355 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.884 -1.658 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.145 -0.130 0.845 1.00 0.00 H new ATOM 257 N THR A 19 9.777 0.879 -2.585 1.00 0.00 N ATOM 258 CA THR A 19 9.216 2.157 -3.002 1.00 0.00 C ATOM 259 C THR A 19 7.784 2.327 -2.492 1.00 0.00 C ATOM 260 O THR A 19 7.463 3.346 -1.876 1.00 0.00 O ATOM 261 CB THR A 19 9.401 2.381 -4.520 1.00 0.00 C ATOM 262 OG1 THR A 19 10.155 3.561 -4.715 1.00 0.00 O ATOM 263 CG2 THR A 19 8.113 2.493 -5.343 1.00 0.00 C ATOM 0 H THR A 19 10.051 0.270 -3.356 1.00 0.00 H new ATOM 0 HA THR A 19 9.777 2.964 -2.531 1.00 0.00 H new ATOM 0 HB THR A 19 9.903 1.484 -4.881 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.281 3.714 -5.675 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.364 2.649 -6.392 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.535 1.575 -5.241 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.523 3.335 -4.982 1.00 0.00 H new ATOM 271 N ILE A 20 6.934 1.323 -2.719 1.00 0.00 N ATOM 272 CA ILE A 20 5.543 1.352 -2.283 1.00 0.00 C ATOM 273 C ILE A 20 5.510 1.604 -0.778 1.00 0.00 C ATOM 274 O ILE A 20 5.085 2.667 -0.329 1.00 0.00 O ATOM 275 CB ILE A 20 4.836 0.063 -2.713 1.00 0.00 C ATOM 276 CG1 ILE A 20 4.658 0.111 -4.240 1.00 0.00 C ATOM 277 CG2 ILE A 20 3.498 -0.097 -1.967 1.00 0.00 C ATOM 278 CD1 ILE A 20 3.848 -1.079 -4.730 1.00 0.00 C ATOM 0 H ILE A 20 7.194 0.468 -3.211 1.00 0.00 H new ATOM 0 HA ILE A 20 4.993 2.165 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 20 5.431 -0.812 -2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.158 1.037 -4.523 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.635 0.115 -4.724 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.011 -1.019 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.683 -0.137 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.852 0.751 -2.192 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.736 -1.022 -5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.363 -2.003 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.863 -1.066 -4.262 1.00 0.00 H new ATOM 290 N ASN A 21 5.986 0.633 -0.001 1.00 0.00 N ATOM 291 CA ASN A 21 5.961 0.638 1.438 1.00 0.00 C ATOM 292 C ASN A 21 6.482 1.951 2.010 1.00 0.00 C ATOM 293 O ASN A 21 5.855 2.529 2.895 1.00 0.00 O ATOM 294 CB ASN A 21 6.643 -0.630 1.981 1.00 0.00 C ATOM 295 CG ASN A 21 8.155 -0.745 2.018 1.00 0.00 C ATOM 296 OD1 ASN A 21 8.729 -1.698 1.511 1.00 0.00 O ATOM 297 ND2 ASN A 21 8.812 0.135 2.752 1.00 0.00 N ATOM 0 H ASN A 21 6.415 -0.209 -0.385 1.00 0.00 H new ATOM 0 HA ASN A 21 4.929 0.594 1.787 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.286 -0.773 3.001 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.273 -1.469 1.393 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.815 0.026 2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.317 0.924 3.167 1.00 0.00 H new ATOM 304 N THR A 22 7.607 2.443 1.494 1.00 0.00 N ATOM 305 CA THR A 22 8.160 3.719 1.915 1.00 0.00 C ATOM 306 C THR A 22 7.161 4.850 1.660 1.00 0.00 C ATOM 307 O THR A 22 6.848 5.610 2.578 1.00 0.00 O ATOM 308 CB THR A 22 9.477 3.935 1.173 1.00 0.00 C ATOM 309 OG1 THR A 22 10.389 2.931 1.565 1.00 0.00 O ATOM 310 CG2 THR A 22 10.111 5.301 1.450 1.00 0.00 C ATOM 0 H THR A 22 8.155 1.968 0.777 1.00 0.00 H new ATOM 0 HA THR A 22 8.354 3.716 2.988 1.00 0.00 H new ATOM 0 HB THR A 22 9.254 3.890 0.107 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.232 2.122 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.043 5.389 0.892 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.426 6.090 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 22 10.316 5.398 2.516 1.00 0.00 H new ATOM 318 N GLN A 23 6.651 4.964 0.427 1.00 0.00 N ATOM 319 CA GLN A 23 5.687 6.005 0.098 1.00 0.00 C ATOM 320 C GLN A 23 4.508 5.957 1.067 1.00 0.00 C ATOM 321 O GLN A 23 4.132 6.978 1.636 1.00 0.00 O ATOM 322 CB GLN A 23 5.192 5.887 -1.354 1.00 0.00 C ATOM 323 CG GLN A 23 5.635 7.089 -2.197 1.00 0.00 C ATOM 324 CD GLN A 23 7.121 7.120 -2.566 1.00 0.00 C ATOM 325 OE1 GLN A 23 7.674 8.193 -2.779 1.00 0.00 O ATOM 326 NE2 GLN A 23 7.800 5.979 -2.640 1.00 0.00 N ATOM 0 H GLN A 23 6.892 4.349 -0.350 1.00 0.00 H new ATOM 0 HA GLN A 23 6.192 6.966 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.577 4.969 -1.797 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.104 5.815 -1.364 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.049 7.102 -3.116 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.394 8.002 -1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.329 5.092 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 23 8.792 5.990 -2.876 1.00 0.00 H new ATOM 335 N LEU A 24 3.935 4.768 1.266 1.00 0.00 N ATOM 336 CA LEU A 24 2.793 4.615 2.154 1.00 0.00 C ATOM 337 C LEU A 24 3.148 5.086 3.557 1.00 0.00 C ATOM 338 O LEU A 24 2.466 5.939 4.123 1.00 0.00 O ATOM 339 CB LEU A 24 2.292 3.171 2.167 1.00 0.00 C ATOM 340 CG LEU A 24 1.950 2.659 0.764 1.00 0.00 C ATOM 341 CD1 LEU A 24 1.193 1.347 0.906 1.00 0.00 C ATOM 342 CD2 LEU A 24 1.157 3.685 -0.051 1.00 0.00 C ATOM 0 H LEU A 24 4.246 3.903 0.823 1.00 0.00 H new ATOM 0 HA LEU A 24 1.981 5.238 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.054 2.529 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.409 3.101 2.802 1.00 0.00 H new ATOM 0 HG LEU A 24 2.873 2.494 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.939 0.964 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.818 0.621 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.279 1.514 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.939 3.276 -1.037 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.223 3.914 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.744 4.597 -0.158 1.00 0.00 H new ATOM 354 N ARG A 25 4.244 4.555 4.099 1.00 0.00 N ATOM 355 CA ARG A 25 4.749 4.937 5.408 1.00 0.00 C ATOM 356 C ARG A 25 4.867 6.463 5.535 1.00 0.00 C ATOM 357 O ARG A 25 4.659 7.009 6.614 1.00 0.00 O ATOM 358 CB ARG A 25 6.087 4.225 5.652 1.00 0.00 C ATOM 359 CG ARG A 25 6.425 4.088 7.140 1.00 0.00 C ATOM 360 CD ARG A 25 5.620 2.945 7.785 1.00 0.00 C ATOM 361 NE ARG A 25 6.216 2.504 9.055 1.00 0.00 N ATOM 362 CZ ARG A 25 7.372 1.829 9.164 1.00 0.00 C ATOM 363 NH1 ARG A 25 8.018 1.436 8.059 1.00 0.00 N ATOM 364 NH2 ARG A 25 7.879 1.553 10.369 1.00 0.00 N ATOM 0 H ARG A 25 4.807 3.843 3.635 1.00 0.00 H new ATOM 0 HA ARG A 25 4.045 4.624 6.179 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.054 3.234 5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.883 4.777 5.153 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.492 3.898 7.258 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.209 5.025 7.654 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.596 3.276 7.960 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.570 2.102 7.096 1.00 0.00 H new ATOM 0 HE ARG A 25 5.715 2.727 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.632 1.650 7.139 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.896 0.923 8.137 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.388 1.855 11.210 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.757 1.040 10.448 1.00 0.00 H new ATOM 378 N ALA A 26 5.191 7.151 4.436 1.00 0.00 N ATOM 379 CA ALA A 26 5.368 8.595 4.424 1.00 0.00 C ATOM 380 C ALA A 26 4.064 9.407 4.368 1.00 0.00 C ATOM 381 O ALA A 26 4.149 10.624 4.512 1.00 0.00 O ATOM 382 CB ALA A 26 6.283 8.980 3.256 1.00 0.00 C ATOM 0 H ALA A 26 5.337 6.713 3.527 1.00 0.00 H new ATOM 0 HA ALA A 26 5.820 8.853 5.382 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.419 10.061 3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.251 8.494 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.830 8.659 2.318 1.00 0.00 H new ATOM 388 N LEU A 27 2.882 8.815 4.123 1.00 0.00 N ATOM 389 CA LEU A 27 1.695 9.631 3.832 1.00 0.00 C ATOM 390 C LEU A 27 1.297 10.510 5.023 1.00 0.00 C ATOM 391 O LEU A 27 1.487 11.726 4.992 1.00 0.00 O ATOM 392 CB LEU A 27 0.500 8.822 3.308 1.00 0.00 C ATOM 393 CG LEU A 27 0.851 8.027 2.047 1.00 0.00 C ATOM 394 CD1 LEU A 27 -0.362 7.194 1.642 1.00 0.00 C ATOM 395 CD2 LEU A 27 1.290 8.905 0.872 1.00 0.00 C ATOM 0 H LEU A 27 2.726 7.807 4.120 1.00 0.00 H new ATOM 0 HA LEU A 27 1.992 10.288 3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.158 8.137 4.084 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.328 9.498 3.092 1.00 0.00 H new ATOM 0 HG LEU A 27 1.705 7.394 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.127 6.622 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.621 6.511 2.451 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.206 7.854 1.441 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.523 8.275 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.485 9.592 0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.175 9.475 1.154 1.00 0.00 H new ATOM 407 N LYS A 28 0.722 9.895 6.062 1.00 0.00 N ATOM 408 CA LYS A 28 0.446 10.534 7.342 1.00 0.00 C ATOM 409 C LYS A 28 -0.029 9.483 8.342 1.00 0.00 C ATOM 410 O LYS A 28 0.691 9.126 9.267 1.00 0.00 O ATOM 411 CB LYS A 28 -0.571 11.689 7.197 1.00 0.00 C ATOM 412 CG LYS A 28 -0.202 12.873 8.104 1.00 0.00 C ATOM 413 CD LYS A 28 -0.503 14.216 7.431 1.00 0.00 C ATOM 414 CE LYS A 28 0.446 14.469 6.244 1.00 0.00 C ATOM 415 NZ LYS A 28 0.493 15.891 5.854 1.00 0.00 N ATOM 0 H LYS A 28 0.431 8.918 6.030 1.00 0.00 H new ATOM 0 HA LYS A 28 1.366 10.982 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.604 12.020 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.569 11.332 7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.757 12.802 9.039 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.857 12.822 8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -1.536 14.228 7.083 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.402 15.021 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.449 14.134 6.507 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.124 13.872 5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.144 16.010 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.458 16.207 5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.826 16.461 6.658 1.00 0.00 H new ATOM 429 N GLY A 29 -1.238 8.957 8.125 1.00 0.00 N ATOM 430 CA GLY A 29 -1.869 8.045 9.063 1.00 0.00 C ATOM 431 C GLY A 29 -1.236 6.656 9.058 1.00 0.00 C ATOM 432 O GLY A 29 -1.513 5.875 9.962 1.00 0.00 O ATOM 0 H GLY A 29 -1.799 9.155 7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.806 8.464 10.067 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.928 7.957 8.820 1.00 0.00 H new ATOM 436 N VAL A 30 -0.437 6.312 8.040 1.00 0.00 N ATOM 437 CA VAL A 30 0.237 5.022 7.981 1.00 0.00 C ATOM 438 C VAL A 30 1.267 4.933 9.107 1.00 0.00 C ATOM 439 O VAL A 30 2.202 5.725 9.158 1.00 0.00 O ATOM 440 CB VAL A 30 0.884 4.788 6.609 1.00 0.00 C ATOM 441 CG1 VAL A 30 1.500 3.380 6.553 1.00 0.00 C ATOM 442 CG2 VAL A 30 -0.155 4.934 5.489 1.00 0.00 C ATOM 0 H VAL A 30 -0.245 6.919 7.243 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.503 4.233 8.118 1.00 0.00 H new ATOM 0 HB VAL A 30 1.665 5.535 6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.957 3.221 5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.259 3.284 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.721 2.635 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.324 4.764 4.524 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.950 4.203 5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.577 5.939 5.513 1.00 0.00 H new ATOM 452 N THR A 31 1.112 3.942 9.985 1.00 0.00 N ATOM 453 CA THR A 31 2.015 3.705 11.102 1.00 0.00 C ATOM 454 C THR A 31 2.996 2.594 10.722 1.00 0.00 C ATOM 455 O THR A 31 4.212 2.724 10.888 1.00 0.00 O ATOM 456 CB THR A 31 1.197 3.341 12.352 1.00 0.00 C ATOM 457 OG1 THR A 31 0.350 2.229 12.117 1.00 0.00 O ATOM 458 CG2 THR A 31 0.347 4.525 12.820 1.00 0.00 C ATOM 0 H THR A 31 0.343 3.274 9.936 1.00 0.00 H new ATOM 0 HA THR A 31 2.589 4.603 11.330 1.00 0.00 H new ATOM 0 HB THR A 31 1.915 3.080 13.130 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.003 2.274 11.204 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.220 4.238 13.705 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.997 5.366 13.062 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.341 4.815 12.026 1.00 0.00 H new ATOM 466 N LYS A 32 2.455 1.501 10.182 1.00 0.00 N ATOM 467 CA LYS A 32 3.187 0.326 9.750 1.00 0.00 C ATOM 468 C LYS A 32 2.588 -0.131 8.421 1.00 0.00 C ATOM 469 O LYS A 32 1.454 0.223 8.103 1.00 0.00 O ATOM 470 CB LYS A 32 3.050 -0.779 10.815 1.00 0.00 C ATOM 471 CG LYS A 32 4.407 -1.319 11.288 1.00 0.00 C ATOM 472 CD LYS A 32 4.262 -2.745 11.838 1.00 0.00 C ATOM 473 CE LYS A 32 4.291 -3.737 10.665 1.00 0.00 C ATOM 474 NZ LYS A 32 4.040 -5.134 11.063 1.00 0.00 N ATOM 0 H LYS A 32 1.450 1.414 10.030 1.00 0.00 H new ATOM 0 HA LYS A 32 4.247 0.547 9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 32 2.502 -0.386 11.671 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.459 -1.599 10.407 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.115 -1.314 10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.815 -0.666 12.060 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.070 -2.963 12.536 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.328 -2.842 12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.544 -3.438 9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.263 -3.677 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.853 -5.723 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.904 -5.182 12.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.185 -5.483 10.584 1.00 0.00 H new ATOM 488 N CYS A 33 3.330 -0.928 7.654 1.00 0.00 N ATOM 489 CA CYS A 33 2.813 -1.571 6.457 1.00 0.00 C ATOM 490 C CYS A 33 3.678 -2.792 6.155 1.00 0.00 C ATOM 491 O CYS A 33 4.903 -2.694 6.222 1.00 0.00 O ATOM 492 CB CYS A 33 2.756 -0.592 5.276 1.00 0.00 C ATOM 493 SG CYS A 33 4.398 0.027 4.834 1.00 0.00 S ATOM 0 H CYS A 33 4.308 -1.144 7.849 1.00 0.00 H new ATOM 0 HA CYS A 33 1.786 -1.896 6.624 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.311 -1.089 4.414 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.108 0.247 5.530 1.00 0.00 H new ATOM 0 HG CYS A 33 5.302 -0.816 5.237 1.00 0.00 H new ATOM 499 N ASP A 34 3.037 -3.928 5.873 1.00 0.00 N ATOM 500 CA ASP A 34 3.637 -5.248 5.771 1.00 0.00 C ATOM 501 C ASP A 34 3.381 -5.781 4.362 1.00 0.00 C ATOM 502 O ASP A 34 2.331 -6.354 4.092 1.00 0.00 O ATOM 503 CB ASP A 34 2.969 -6.167 6.805 1.00 0.00 C ATOM 504 CG ASP A 34 3.487 -6.013 8.224 1.00 0.00 C ATOM 505 OD1 ASP A 34 4.636 -5.574 8.441 1.00 0.00 O ATOM 506 OD2 ASP A 34 2.743 -6.307 9.182 1.00 0.00 O ATOM 0 H ASP A 34 2.032 -3.946 5.701 1.00 0.00 H new ATOM 0 HA ASP A 34 4.710 -5.207 5.960 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.896 -5.974 6.802 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.108 -7.202 6.493 1.00 0.00 H new ATOM 511 N ILE A 35 4.315 -5.573 3.435 1.00 0.00 N ATOM 512 CA ILE A 35 4.114 -5.922 2.033 1.00 0.00 C ATOM 513 C ILE A 35 4.900 -7.178 1.678 1.00 0.00 C ATOM 514 O ILE A 35 6.038 -7.354 2.106 1.00 0.00 O ATOM 515 CB ILE A 35 4.434 -4.695 1.179 1.00 0.00 C ATOM 516 CG1 ILE A 35 3.287 -3.692 1.392 1.00 0.00 C ATOM 517 CG2 ILE A 35 4.550 -4.993 -0.316 1.00 0.00 C ATOM 518 CD1 ILE A 35 3.816 -2.331 1.792 1.00 0.00 C ATOM 0 H ILE A 35 5.226 -5.160 3.635 1.00 0.00 H new ATOM 0 HA ILE A 35 3.076 -6.184 1.829 1.00 0.00 H new ATOM 0 HB ILE A 35 5.406 -4.313 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.703 -3.603 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.614 -4.064 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.778 -4.073 -0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 35 5.347 -5.718 -0.482 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.607 -5.401 -0.680 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.982 -1.644 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.378 -2.418 2.722 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.469 -1.950 1.007 1.00 0.00 H new ATOM 530 N SER A 36 4.244 -8.060 0.920 1.00 0.00 N ATOM 531 CA SER A 36 4.644 -9.451 0.730 1.00 0.00 C ATOM 532 C SER A 36 4.604 -9.849 -0.747 1.00 0.00 C ATOM 533 O SER A 36 3.529 -10.013 -1.324 1.00 0.00 O ATOM 534 CB SER A 36 3.722 -10.361 1.551 1.00 0.00 C ATOM 535 OG SER A 36 3.865 -10.075 2.928 1.00 0.00 O ATOM 0 H SER A 36 3.396 -7.816 0.408 1.00 0.00 H new ATOM 0 HA SER A 36 5.673 -9.564 1.072 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.686 -10.214 1.246 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.965 -11.406 1.361 1.00 0.00 H new ATOM 0 HG SER A 36 3.272 -10.658 3.447 1.00 0.00 H new ATOM 541 N LEU A 37 5.778 -10.071 -1.348 1.00 0.00 N ATOM 542 CA LEU A 37 5.914 -10.589 -2.706 1.00 0.00 C ATOM 543 C LEU A 37 5.593 -12.088 -2.735 1.00 0.00 C ATOM 544 O LEU A 37 6.455 -12.907 -3.046 1.00 0.00 O ATOM 545 CB LEU A 37 7.341 -10.331 -3.216 1.00 0.00 C ATOM 546 CG LEU A 37 7.688 -8.843 -3.369 1.00 0.00 C ATOM 547 CD1 LEU A 37 9.208 -8.706 -3.475 1.00 0.00 C ATOM 548 CD2 LEU A 37 7.044 -8.241 -4.625 1.00 0.00 C ATOM 0 H LEU A 37 6.673 -9.891 -0.893 1.00 0.00 H new ATOM 0 HA LEU A 37 5.208 -10.076 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.051 -10.791 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.466 -10.824 -4.180 1.00 0.00 H new ATOM 0 HG LEU A 37 7.305 -8.306 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.472 -7.654 -3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 37 9.673 -9.105 -2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.564 -9.261 -4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.311 -7.187 -4.701 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.403 -8.771 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.960 -8.337 -4.560 1.00 0.00 H new ATOM 560 N VAL A 38 4.351 -12.443 -2.402 1.00 0.00 N ATOM 561 CA VAL A 38 3.839 -13.804 -2.480 1.00 0.00 C ATOM 562 C VAL A 38 2.577 -13.759 -3.339 1.00 0.00 C ATOM 563 O VAL A 38 2.545 -14.290 -4.445 1.00 0.00 O ATOM 564 CB VAL A 38 3.588 -14.362 -1.064 1.00 0.00 C ATOM 565 CG1 VAL A 38 3.095 -15.814 -1.128 1.00 0.00 C ATOM 566 CG2 VAL A 38 4.870 -14.321 -0.221 1.00 0.00 C ATOM 0 H VAL A 38 3.660 -11.773 -2.063 1.00 0.00 H new ATOM 0 HA VAL A 38 4.557 -14.482 -2.941 1.00 0.00 H new ATOM 0 HB VAL A 38 2.826 -13.734 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.925 -16.185 -0.117 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.163 -15.857 -1.692 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.846 -16.432 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.665 -14.720 0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.641 -14.923 -0.702 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.216 -13.291 -0.134 1.00 0.00 H new ATOM 576 N THR A 39 1.548 -13.085 -2.830 1.00 0.00 N ATOM 577 CA THR A 39 0.234 -12.950 -3.432 1.00 0.00 C ATOM 578 C THR A 39 0.053 -11.579 -4.103 1.00 0.00 C ATOM 579 O THR A 39 -1.040 -11.272 -4.571 1.00 0.00 O ATOM 580 CB THR A 39 -0.774 -13.172 -2.293 1.00 0.00 C ATOM 581 OG1 THR A 39 -0.205 -12.692 -1.087 1.00 0.00 O ATOM 582 CG2 THR A 39 -1.053 -14.662 -2.088 1.00 0.00 C ATOM 0 H THR A 39 1.618 -12.594 -1.939 1.00 0.00 H new ATOM 0 HA THR A 39 0.088 -13.677 -4.231 1.00 0.00 H new ATOM 0 HB THR A 39 -1.698 -12.654 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.908 -12.591 -0.411 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.769 -14.790 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.464 -15.085 -3.005 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.125 -15.175 -1.837 1.00 0.00 H new ATOM 590 N ASN A 40 1.113 -10.760 -4.177 1.00 0.00 N ATOM 591 CA ASN A 40 1.080 -9.420 -4.768 1.00 0.00 C ATOM 592 C ASN A 40 0.001 -8.557 -4.102 1.00 0.00 C ATOM 593 O ASN A 40 -0.840 -7.943 -4.761 1.00 0.00 O ATOM 594 CB ASN A 40 0.964 -9.490 -6.305 1.00 0.00 C ATOM 595 CG ASN A 40 2.328 -9.422 -6.988 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.031 -10.423 -7.076 1.00 0.00 O ATOM 597 ND2 ASN A 40 2.711 -8.245 -7.478 1.00 0.00 N ATOM 0 H ASN A 40 2.033 -11.018 -3.820 1.00 0.00 H new ATOM 0 HA ASN A 40 2.029 -8.921 -4.569 1.00 0.00 H new ATOM 0 HB2 ASN A 40 0.463 -10.416 -6.588 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.341 -8.669 -6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.614 -8.156 -7.944 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.101 -7.432 -7.388 1.00 0.00 H new ATOM 604 N GLU A 41 0.059 -8.477 -2.772 1.00 0.00 N ATOM 605 CA GLU A 41 -0.776 -7.598 -1.969 1.00 0.00 C ATOM 606 C GLU A 41 0.091 -6.656 -1.143 1.00 0.00 C ATOM 607 O GLU A 41 1.284 -6.887 -0.932 1.00 0.00 O ATOM 608 CB GLU A 41 -1.736 -8.387 -1.066 1.00 0.00 C ATOM 609 CG GLU A 41 -1.235 -9.792 -0.716 1.00 0.00 C ATOM 610 CD GLU A 41 -2.130 -10.484 0.304 1.00 0.00 C ATOM 611 OE1 GLU A 41 -2.609 -9.783 1.219 1.00 0.00 O ATOM 612 OE2 GLU A 41 -2.300 -11.713 0.150 1.00 0.00 O ATOM 0 H GLU A 41 0.705 -9.037 -2.215 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.388 -7.008 -2.651 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.896 -7.828 -0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.703 -8.468 -1.562 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.186 -10.395 -1.623 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.221 -9.727 -0.322 1.00 0.00 H new ATOM 619 N CYS A 42 -0.552 -5.586 -0.682 1.00 0.00 N ATOM 620 CA CYS A 42 -0.010 -4.581 0.204 1.00 0.00 C ATOM 621 C CYS A 42 -0.997 -4.407 1.356 1.00 0.00 C ATOM 622 O CYS A 42 -2.199 -4.273 1.119 1.00 0.00 O ATOM 623 CB CYS A 42 0.190 -3.290 -0.592 1.00 0.00 C ATOM 624 SG CYS A 42 0.321 -1.885 0.525 1.00 0.00 S ATOM 0 H CYS A 42 -1.521 -5.394 -0.937 1.00 0.00 H new ATOM 0 HA CYS A 42 0.958 -4.866 0.616 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.091 -3.365 -1.201 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.645 -3.143 -1.276 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.321 -0.871 0.024 1.00 0.00 H new ATOM 630 N GLN A 43 -0.478 -4.472 2.586 1.00 0.00 N ATOM 631 CA GLN A 43 -1.209 -4.427 3.838 1.00 0.00 C ATOM 632 C GLN A 43 -0.668 -3.230 4.614 1.00 0.00 C ATOM 633 O GLN A 43 0.534 -3.168 4.877 1.00 0.00 O ATOM 634 CB GLN A 43 -0.950 -5.748 4.565 1.00 0.00 C ATOM 635 CG GLN A 43 -1.671 -5.899 5.903 1.00 0.00 C ATOM 636 CD GLN A 43 -1.524 -7.342 6.379 1.00 0.00 C ATOM 637 OE1 GLN A 43 -0.419 -7.800 6.651 1.00 0.00 O ATOM 638 NE2 GLN A 43 -2.619 -8.089 6.427 1.00 0.00 N ATOM 0 H GLN A 43 0.527 -4.563 2.733 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.286 -4.312 3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.249 -6.569 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.122 -5.849 4.733 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -1.250 -5.214 6.639 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.725 -5.642 5.795 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -3.525 -7.681 6.196 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.555 -9.071 6.695 1.00 0.00 H new ATOM 647 N VAL A 44 -1.529 -2.257 4.915 1.00 0.00 N ATOM 648 CA VAL A 44 -1.145 -0.950 5.435 1.00 0.00 C ATOM 649 C VAL A 44 -1.891 -0.700 6.742 1.00 0.00 C ATOM 650 O VAL A 44 -3.115 -0.574 6.729 1.00 0.00 O ATOM 651 CB VAL A 44 -1.481 0.141 4.405 1.00 0.00 C ATOM 652 CG1 VAL A 44 -0.839 1.482 4.770 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.071 -0.247 2.987 1.00 0.00 C ATOM 0 H VAL A 44 -2.537 -2.362 4.800 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.072 -0.925 5.623 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.566 0.246 4.430 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.100 2.227 4.018 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.204 1.807 5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.244 1.368 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.331 0.558 2.300 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.005 -0.419 2.954 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.594 -1.157 2.693 1.00 0.00 H new ATOM 663 N THR A 45 -1.159 -0.611 7.855 1.00 0.00 N ATOM 664 CA THR A 45 -1.698 -0.315 9.170 1.00 0.00 C ATOM 665 C THR A 45 -1.777 1.208 9.319 1.00 0.00 C ATOM 666 O THR A 45 -0.776 1.852 9.655 1.00 0.00 O ATOM 667 CB THR A 45 -0.806 -0.962 10.244 1.00 0.00 C ATOM 668 OG1 THR A 45 -0.309 -2.207 9.792 1.00 0.00 O ATOM 669 CG2 THR A 45 -1.593 -1.180 11.538 1.00 0.00 C ATOM 0 H THR A 45 -0.148 -0.748 7.859 1.00 0.00 H new ATOM 0 HA THR A 45 -2.700 -0.727 9.293 1.00 0.00 H new ATOM 0 HB THR A 45 0.027 -0.286 10.437 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.258 -2.604 10.486 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.945 -1.638 12.285 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.954 -0.221 11.910 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.441 -1.836 11.342 1.00 0.00 H new ATOM 677 N TYR A 46 -2.946 1.792 9.038 1.00 0.00 N ATOM 678 CA TYR A 46 -3.135 3.237 9.030 1.00 0.00 C ATOM 679 C TYR A 46 -4.101 3.692 10.103 1.00 0.00 C ATOM 680 O TYR A 46 -4.813 2.876 10.669 1.00 0.00 O ATOM 681 CB TYR A 46 -3.543 3.750 7.642 1.00 0.00 C ATOM 682 CG TYR A 46 -4.868 3.305 7.022 1.00 0.00 C ATOM 683 CD1 TYR A 46 -6.103 3.484 7.687 1.00 0.00 C ATOM 684 CD2 TYR A 46 -4.888 3.024 5.642 1.00 0.00 C ATOM 685 CE1 TYR A 46 -7.316 3.202 7.033 1.00 0.00 C ATOM 686 CE2 TYR A 46 -6.110 2.925 4.954 1.00 0.00 C ATOM 687 CZ TYR A 46 -7.318 2.901 5.663 1.00 0.00 C ATOM 688 OH TYR A 46 -8.485 2.701 4.993 1.00 0.00 O ATOM 0 H TYR A 46 -3.790 1.268 8.809 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.169 3.682 9.267 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.557 4.839 7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -2.750 3.472 6.948 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -6.115 3.841 8.706 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.959 2.884 5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.244 3.217 7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.117 2.867 3.876 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.993 1.984 5.427 1.00 0.00 H new ATOM 698 N ASP A 47 -4.186 5.000 10.335 1.00 0.00 N ATOM 699 CA ASP A 47 -5.294 5.580 11.081 1.00 0.00 C ATOM 700 C ASP A 47 -5.936 6.715 10.284 1.00 0.00 C ATOM 701 O ASP A 47 -5.557 6.991 9.143 1.00 0.00 O ATOM 702 CB ASP A 47 -4.878 5.974 12.511 1.00 0.00 C ATOM 703 CG ASP A 47 -5.985 5.636 13.508 1.00 0.00 C ATOM 704 OD1 ASP A 47 -7.151 5.984 13.195 1.00 0.00 O ATOM 705 OD2 ASP A 47 -5.660 4.961 14.517 1.00 0.00 O ATOM 0 H ASP A 47 -3.496 5.679 10.014 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.066 4.822 11.214 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.962 5.451 12.786 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.660 7.041 12.551 1.00 0.00 H new ATOM 710 N ASN A 48 -6.941 7.336 10.897 1.00 0.00 N ATOM 711 CA ASN A 48 -8.002 8.094 10.243 1.00 0.00 C ATOM 712 C ASN A 48 -7.499 9.298 9.449 1.00 0.00 C ATOM 713 O ASN A 48 -8.234 9.827 8.619 1.00 0.00 O ATOM 714 CB ASN A 48 -9.061 8.500 11.280 1.00 0.00 C ATOM 715 CG ASN A 48 -10.090 7.391 11.491 1.00 0.00 C ATOM 716 OD1 ASN A 48 -11.260 7.562 11.161 1.00 0.00 O ATOM 717 ND2 ASN A 48 -9.685 6.237 12.020 1.00 0.00 N ATOM 0 H ASN A 48 -7.041 7.323 11.912 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.455 7.438 9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -8.574 8.732 12.227 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.565 9.408 10.950 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -10.351 5.477 12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.709 6.114 12.288 1.00 0.00 H new ATOM 724 N GLU A 49 -6.259 9.733 9.679 1.00 0.00 N ATOM 725 CA GLU A 49 -5.643 10.779 8.883 1.00 0.00 C ATOM 726 C GLU A 49 -5.557 10.399 7.398 1.00 0.00 C ATOM 727 O GLU A 49 -5.651 11.282 6.547 1.00 0.00 O ATOM 728 CB GLU A 49 -4.245 11.089 9.424 1.00 0.00 C ATOM 729 CG GLU A 49 -4.264 11.575 10.877 1.00 0.00 C ATOM 730 CD GLU A 49 -2.873 12.039 11.282 1.00 0.00 C ATOM 731 OE1 GLU A 49 -2.468 13.108 10.776 1.00 0.00 O ATOM 732 OE2 GLU A 49 -2.226 11.295 12.048 1.00 0.00 O ATOM 0 H GLU A 49 -5.661 9.368 10.420 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.274 11.665 8.959 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.627 10.194 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.779 11.849 8.798 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.977 12.392 10.988 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.595 10.772 11.535 1.00 0.00 H new ATOM 739 N VAL A 50 -5.310 9.120 7.076 1.00 0.00 N ATOM 740 CA VAL A 50 -5.065 8.704 5.694 1.00 0.00 C ATOM 741 C VAL A 50 -6.344 8.190 5.018 1.00 0.00 C ATOM 742 O VAL A 50 -7.396 8.077 5.641 1.00 0.00 O ATOM 743 CB VAL A 50 -3.868 7.732 5.625 1.00 0.00 C ATOM 744 CG1 VAL A 50 -4.270 6.260 5.501 1.00 0.00 C ATOM 745 CG2 VAL A 50 -2.906 8.105 4.490 1.00 0.00 C ATOM 0 H VAL A 50 -5.275 8.360 7.755 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.777 9.575 5.106 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.361 7.841 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.374 5.641 5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.869 5.972 6.365 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.853 6.118 4.591 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.075 7.400 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.435 8.068 3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.523 9.112 4.654 1.00 0.00 H new ATOM 755 N THR A 51 -6.241 7.896 3.720 1.00 0.00 N ATOM 756 CA THR A 51 -7.334 7.550 2.828 1.00 0.00 C ATOM 757 C THR A 51 -6.881 6.359 1.978 1.00 0.00 C ATOM 758 O THR A 51 -5.810 6.400 1.366 1.00 0.00 O ATOM 759 CB THR A 51 -7.743 8.790 1.996 1.00 0.00 C ATOM 760 OG1 THR A 51 -7.920 8.470 0.627 1.00 0.00 O ATOM 761 CG2 THR A 51 -6.764 9.972 2.130 1.00 0.00 C ATOM 0 H THR A 51 -5.339 7.895 3.243 1.00 0.00 H new ATOM 0 HA THR A 51 -8.229 7.251 3.374 1.00 0.00 H new ATOM 0 HB THR A 51 -8.696 9.109 2.417 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.179 9.276 0.133 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.114 10.805 1.520 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.710 10.283 3.173 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.774 9.665 1.791 1.00 0.00 H new ATOM 769 N ALA A 52 -7.686 5.291 1.955 1.00 0.00 N ATOM 770 CA ALA A 52 -7.430 4.110 1.143 1.00 0.00 C ATOM 771 C ALA A 52 -7.300 4.485 -0.334 1.00 0.00 C ATOM 772 O ALA A 52 -6.390 4.020 -1.018 1.00 0.00 O ATOM 773 CB ALA A 52 -8.555 3.092 1.348 1.00 0.00 C ATOM 0 H ALA A 52 -8.541 5.228 2.508 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.487 3.663 1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.362 2.209 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -8.600 2.806 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.506 3.536 1.052 1.00 0.00 H new ATOM 779 N ASP A 53 -8.212 5.330 -0.828 1.00 0.00 N ATOM 780 CA ASP A 53 -8.194 5.753 -2.221 1.00 0.00 C ATOM 781 C ASP A 53 -6.903 6.501 -2.528 1.00 0.00 C ATOM 782 O ASP A 53 -6.246 6.212 -3.523 1.00 0.00 O ATOM 783 CB ASP A 53 -9.427 6.589 -2.562 1.00 0.00 C ATOM 784 CG ASP A 53 -9.617 6.752 -4.074 1.00 0.00 C ATOM 785 OD1 ASP A 53 -8.913 6.063 -4.854 1.00 0.00 O ATOM 786 OD2 ASP A 53 -10.508 7.550 -4.428 1.00 0.00 O ATOM 0 H ASP A 53 -8.971 5.732 -0.277 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.228 4.865 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.312 6.118 -2.135 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.336 7.573 -2.101 1.00 0.00 H new ATOM 791 N SER A 54 -6.490 7.402 -1.626 1.00 0.00 N ATOM 792 CA SER A 54 -5.193 8.047 -1.753 1.00 0.00 C ATOM 793 C SER A 54 -4.121 6.974 -1.852 1.00 0.00 C ATOM 794 O SER A 54 -3.325 6.991 -2.773 1.00 0.00 O ATOM 795 CB SER A 54 -4.893 8.969 -0.575 1.00 0.00 C ATOM 796 OG SER A 54 -3.826 9.846 -0.877 1.00 0.00 O ATOM 0 H SER A 54 -7.033 7.692 -0.813 1.00 0.00 H new ATOM 0 HA SER A 54 -5.204 8.664 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.783 9.546 -0.324 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.642 8.374 0.303 1.00 0.00 H new ATOM 0 HG SER A 54 -3.653 10.428 -0.108 1.00 0.00 H new ATOM 802 N ILE A 55 -4.102 6.019 -0.921 1.00 0.00 N ATOM 803 CA ILE A 55 -3.143 4.929 -0.954 1.00 0.00 C ATOM 804 C ILE A 55 -3.084 4.247 -2.314 1.00 0.00 C ATOM 805 O ILE A 55 -1.998 4.010 -2.846 1.00 0.00 O ATOM 806 CB ILE A 55 -3.424 3.945 0.207 1.00 0.00 C ATOM 807 CG1 ILE A 55 -2.360 4.118 1.289 1.00 0.00 C ATOM 808 CG2 ILE A 55 -3.483 2.458 -0.186 1.00 0.00 C ATOM 809 CD1 ILE A 55 -2.919 4.783 2.550 1.00 0.00 C ATOM 0 H ILE A 55 -4.747 5.984 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.146 5.343 -0.805 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.422 4.203 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.946 3.144 1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.540 4.719 0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.685 1.855 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.277 2.306 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.529 2.158 -0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.125 4.884 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.309 5.769 2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.721 4.169 2.960 1.00 0.00 H new ATOM 821 N LYS A 56 -4.248 3.941 -2.878 1.00 0.00 N ATOM 822 CA LYS A 56 -4.302 3.358 -4.198 1.00 0.00 C ATOM 823 C LYS A 56 -3.626 4.330 -5.180 1.00 0.00 C ATOM 824 O LYS A 56 -2.622 3.969 -5.785 1.00 0.00 O ATOM 825 CB LYS A 56 -5.762 3.038 -4.534 1.00 0.00 C ATOM 826 CG LYS A 56 -5.946 2.221 -5.822 1.00 0.00 C ATOM 827 CD LYS A 56 -7.404 2.115 -6.305 1.00 0.00 C ATOM 828 CE LYS A 56 -8.255 3.371 -6.066 1.00 0.00 C ATOM 829 NZ LYS A 56 -7.708 4.600 -6.690 1.00 0.00 N ATOM 0 H LYS A 56 -5.157 4.089 -2.439 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.759 2.415 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.203 2.489 -3.702 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.315 3.973 -4.627 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -5.346 2.672 -6.613 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.556 1.216 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.403 1.892 -7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.878 1.271 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.259 3.196 -6.453 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -8.351 3.533 -4.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.952 5.425 -6.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.674 4.521 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.114 4.717 -7.640 1.00 0.00 H new ATOM 843 N GLU A 57 -4.109 5.576 -5.255 1.00 0.00 N ATOM 844 CA GLU A 57 -3.562 6.660 -6.073 1.00 0.00 C ATOM 845 C GLU A 57 -2.036 6.760 -5.974 1.00 0.00 C ATOM 846 O GLU A 57 -1.350 6.892 -6.980 1.00 0.00 O ATOM 847 CB GLU A 57 -4.202 7.998 -5.658 1.00 0.00 C ATOM 848 CG GLU A 57 -5.315 8.462 -6.604 1.00 0.00 C ATOM 849 CD GLU A 57 -5.790 9.869 -6.248 1.00 0.00 C ATOM 850 OE1 GLU A 57 -5.742 10.205 -5.043 1.00 0.00 O ATOM 851 OE2 GLU A 57 -6.169 10.595 -7.192 1.00 0.00 O ATOM 0 H GLU A 57 -4.929 5.867 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.802 6.435 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.609 7.901 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.428 8.765 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.952 8.447 -7.632 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.154 7.768 -6.552 1.00 0.00 H new ATOM 858 N ILE A 58 -1.493 6.719 -4.760 1.00 0.00 N ATOM 859 CA ILE A 58 -0.069 6.798 -4.483 1.00 0.00 C ATOM 860 C ILE A 58 0.648 5.641 -5.173 1.00 0.00 C ATOM 861 O ILE A 58 1.717 5.817 -5.752 1.00 0.00 O ATOM 862 CB ILE A 58 0.137 6.763 -2.958 1.00 0.00 C ATOM 863 CG1 ILE A 58 -0.379 8.036 -2.266 1.00 0.00 C ATOM 864 CG2 ILE A 58 1.583 6.471 -2.551 1.00 0.00 C ATOM 865 CD1 ILE A 58 0.456 9.293 -2.477 1.00 0.00 C ATOM 0 H ILE A 58 -2.056 6.626 -3.915 1.00 0.00 H new ATOM 0 HA ILE A 58 0.350 7.727 -4.870 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.467 5.925 -2.609 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.392 8.233 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.446 7.843 -1.195 1.00 0.00 H new ATOM 0 HG21 ILE A 58 1.660 6.460 -1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.883 5.500 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.237 7.244 -2.953 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.001 10.127 -1.945 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.464 9.128 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.503 9.524 -3.541 1.00 0.00 H new ATOM 877 N ILE A 59 0.079 4.441 -5.094 1.00 0.00 N ATOM 878 CA ILE A 59 0.657 3.270 -5.727 1.00 0.00 C ATOM 879 C ILE A 59 0.518 3.355 -7.259 1.00 0.00 C ATOM 880 O ILE A 59 1.466 3.035 -7.983 1.00 0.00 O ATOM 881 CB ILE A 59 0.066 2.021 -5.066 1.00 0.00 C ATOM 882 CG1 ILE A 59 0.798 1.792 -3.741 1.00 0.00 C ATOM 883 CG2 ILE A 59 0.283 0.794 -5.961 1.00 0.00 C ATOM 884 CD1 ILE A 59 -0.064 0.938 -2.821 1.00 0.00 C ATOM 0 H ILE A 59 -0.790 4.259 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 59 1.734 3.213 -5.571 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.003 2.163 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.753 1.299 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.018 2.748 -3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.142 -0.087 -5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.206 0.954 -6.922 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.351 0.642 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.459 0.776 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.008 1.448 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.261 -0.023 -3.296 1.00 0.00 H new ATOM 896 N GLU A 60 -0.633 3.827 -7.750 1.00 0.00 N ATOM 897 CA GLU A 60 -0.835 4.132 -9.161 1.00 0.00 C ATOM 898 C GLU A 60 0.299 5.059 -9.636 1.00 0.00 C ATOM 899 O GLU A 60 1.040 4.710 -10.552 1.00 0.00 O ATOM 900 CB GLU A 60 -2.244 4.725 -9.393 1.00 0.00 C ATOM 901 CG GLU A 60 -3.400 3.771 -9.016 1.00 0.00 C ATOM 902 CD GLU A 60 -4.772 4.452 -9.062 1.00 0.00 C ATOM 903 OE1 GLU A 60 -5.149 4.880 -10.172 1.00 0.00 O ATOM 904 OE2 GLU A 60 -5.446 4.521 -8.003 1.00 0.00 O ATOM 0 H GLU A 60 -1.453 4.008 -7.171 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.793 3.221 -9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.340 5.643 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.342 5.000 -10.443 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.399 2.920 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.228 3.378 -8.014 1.00 0.00 H new ATOM 911 N ASP A 61 0.478 6.200 -8.961 1.00 0.00 N ATOM 912 CA ASP A 61 1.526 7.190 -9.204 1.00 0.00 C ATOM 913 C ASP A 61 2.923 6.562 -9.176 1.00 0.00 C ATOM 914 O ASP A 61 3.701 6.733 -10.113 1.00 0.00 O ATOM 915 CB ASP A 61 1.408 8.314 -8.166 1.00 0.00 C ATOM 916 CG ASP A 61 2.540 9.322 -8.300 1.00 0.00 C ATOM 917 OD1 ASP A 61 2.349 10.295 -9.060 1.00 0.00 O ATOM 918 OD2 ASP A 61 3.570 9.103 -7.628 1.00 0.00 O ATOM 0 H ASP A 61 -0.137 6.469 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 61 1.389 7.602 -10.204 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.451 8.822 -8.287 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.418 7.886 -7.163 1.00 0.00 H new ATOM 923 N CYS A 62 3.227 5.799 -8.119 1.00 0.00 N ATOM 924 CA CYS A 62 4.497 5.081 -7.985 1.00 0.00 C ATOM 925 C CYS A 62 4.756 4.186 -9.198 1.00 0.00 C ATOM 926 O CYS A 62 5.913 3.933 -9.532 1.00 0.00 O ATOM 927 CB CYS A 62 4.540 4.229 -6.711 1.00 0.00 C ATOM 928 SG CYS A 62 4.787 5.247 -5.241 1.00 0.00 S ATOM 0 H CYS A 62 2.595 5.663 -7.330 1.00 0.00 H new ATOM 0 HA CYS A 62 5.277 5.839 -7.923 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.610 3.669 -6.615 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.345 3.498 -6.788 1.00 0.00 H new ATOM 0 HG CYS A 62 3.669 5.831 -4.925 1.00 0.00 H new ATOM 934 N GLY A 63 3.691 3.711 -9.851 1.00 0.00 N ATOM 935 CA GLY A 63 3.759 3.092 -11.165 1.00 0.00 C ATOM 936 C GLY A 63 3.342 1.629 -11.118 1.00 0.00 C ATOM 937 O GLY A 63 3.961 0.801 -11.785 1.00 0.00 O ATOM 0 H GLY A 63 2.746 3.750 -9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.113 3.633 -11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 63 4.775 3.169 -11.552 1.00 0.00 H new ATOM 941 N PHE A 64 2.292 1.306 -10.353 1.00 0.00 N ATOM 942 CA PHE A 64 1.774 -0.053 -10.268 1.00 0.00 C ATOM 943 C PHE A 64 0.254 -0.024 -10.287 1.00 0.00 C ATOM 944 O PHE A 64 -0.353 0.673 -9.478 1.00 0.00 O ATOM 945 CB PHE A 64 2.237 -0.717 -8.971 1.00 0.00 C ATOM 946 CG PHE A 64 3.719 -0.604 -8.702 1.00 0.00 C ATOM 947 CD1 PHE A 64 4.619 -1.465 -9.352 1.00 0.00 C ATOM 948 CD2 PHE A 64 4.203 0.443 -7.897 1.00 0.00 C ATOM 949 CE1 PHE A 64 6.000 -1.326 -9.139 1.00 0.00 C ATOM 950 CE2 PHE A 64 5.580 0.563 -7.661 1.00 0.00 C ATOM 951 CZ PHE A 64 6.474 -0.338 -8.257 1.00 0.00 C ATOM 0 H PHE A 64 1.784 1.980 -9.780 1.00 0.00 H new ATOM 0 HA PHE A 64 2.148 -0.620 -11.120 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.695 -0.272 -8.137 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.966 -1.772 -9.001 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.249 -2.233 -10.015 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.515 1.153 -7.462 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.695 -1.975 -9.650 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.952 1.349 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 64 7.530 -0.273 -8.038 1.00 0.00 H new ATOM 961 N ASP A 65 -0.360 -0.817 -11.162 1.00 0.00 N ATOM 962 CA ASP A 65 -1.790 -1.048 -11.137 1.00 0.00 C ATOM 963 C ASP A 65 -2.107 -1.731 -9.812 1.00 0.00 C ATOM 964 O ASP A 65 -1.430 -2.689 -9.429 1.00 0.00 O ATOM 965 CB ASP A 65 -2.196 -1.939 -12.319 1.00 0.00 C ATOM 966 CG ASP A 65 -1.735 -1.376 -13.652 1.00 0.00 C ATOM 967 OD1 ASP A 65 -0.522 -1.530 -13.919 1.00 0.00 O ATOM 968 OD2 ASP A 65 -2.590 -0.816 -14.369 1.00 0.00 O ATOM 0 H ASP A 65 0.127 -1.315 -11.907 1.00 0.00 H new ATOM 0 HA ASP A 65 -2.343 -0.113 -11.225 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -1.774 -2.934 -12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.280 -2.052 -12.330 1.00 0.00 H new ATOM 973 N CYS A 66 -3.114 -1.249 -9.091 1.00 0.00 N ATOM 974 CA CYS A 66 -3.491 -1.816 -7.811 1.00 0.00 C ATOM 975 C CYS A 66 -4.958 -1.517 -7.555 1.00 0.00 C ATOM 976 O CYS A 66 -5.493 -0.569 -8.130 1.00 0.00 O ATOM 977 CB CYS A 66 -2.607 -1.263 -6.686 1.00 0.00 C ATOM 978 SG CYS A 66 -3.046 0.450 -6.319 1.00 0.00 S ATOM 0 H CYS A 66 -3.687 -0.457 -9.381 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.344 -2.896 -7.833 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.723 -1.874 -5.791 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -1.558 -1.321 -6.978 1.00 0.00 H new ATOM 0 HG CYS A 66 -2.351 1.248 -7.074 1.00 0.00 H new ATOM 984 N GLU A 67 -5.599 -2.332 -6.714 1.00 0.00 N ATOM 985 CA GLU A 67 -6.991 -2.139 -6.339 1.00 0.00 C ATOM 986 C GLU A 67 -7.205 -2.460 -4.866 1.00 0.00 C ATOM 987 O GLU A 67 -6.563 -3.353 -4.310 1.00 0.00 O ATOM 988 CB GLU A 67 -7.932 -2.969 -7.230 1.00 0.00 C ATOM 989 CG GLU A 67 -8.746 -2.080 -8.183 1.00 0.00 C ATOM 990 CD GLU A 67 -9.800 -1.218 -7.483 1.00 0.00 C ATOM 991 OE1 GLU A 67 -9.556 -0.810 -6.323 1.00 0.00 O ATOM 992 OE2 GLU A 67 -10.839 -0.975 -8.130 1.00 0.00 O ATOM 0 H GLU A 67 -5.162 -3.143 -6.277 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.235 -1.088 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.348 -3.684 -7.810 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.611 -3.547 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.063 -1.429 -8.728 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -9.240 -2.713 -8.920 1.00 0.00 H new ATOM 999 N ILE A 68 -8.120 -1.720 -4.247 1.00 0.00 N ATOM 1000 CA ILE A 68 -8.471 -1.838 -2.843 1.00 0.00 C ATOM 1001 C ILE A 68 -9.333 -3.082 -2.690 1.00 0.00 C ATOM 1002 O ILE A 68 -10.367 -3.190 -3.345 1.00 0.00 O ATOM 1003 CB ILE A 68 -9.190 -0.559 -2.382 1.00 0.00 C ATOM 1004 CG1 ILE A 68 -8.214 0.626 -2.454 1.00 0.00 C ATOM 1005 CG2 ILE A 68 -9.721 -0.704 -0.950 1.00 0.00 C ATOM 1006 CD1 ILE A 68 -8.934 1.971 -2.376 1.00 0.00 C ATOM 0 H ILE A 68 -8.654 -0.997 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.589 -1.944 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.040 -0.385 -3.042 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.495 0.553 -1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -7.648 0.572 -3.384 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.224 0.216 -0.653 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -10.427 -1.533 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.890 -0.898 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.204 2.778 -2.431 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.634 2.058 -3.207 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.479 2.038 -1.434 1.00 0.00 H new ATOM 1018 N LEU A 69 -8.915 -4.028 -1.842 1.00 0.00 N ATOM 1019 CA LEU A 69 -9.658 -5.267 -1.671 1.00 0.00 C ATOM 1020 C LEU A 69 -10.496 -5.144 -0.401 1.00 0.00 C ATOM 1021 O LEU A 69 -11.702 -5.388 -0.438 1.00 0.00 O ATOM 1022 CB LEU A 69 -8.713 -6.476 -1.815 1.00 0.00 C ATOM 1023 CG LEU A 69 -8.722 -7.478 -0.661 1.00 0.00 C ATOM 1024 CD1 LEU A 69 -10.004 -8.306 -0.548 1.00 0.00 C ATOM 1025 CD2 LEU A 69 -7.521 -8.422 -0.774 1.00 0.00 C ATOM 0 H LEU A 69 -8.073 -3.955 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.387 -5.455 -2.459 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.972 -7.006 -2.732 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.696 -6.104 -1.938 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.665 -6.876 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.922 -8.990 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.854 -7.641 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.150 -8.878 -1.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.537 -9.132 0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.572 -8.964 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.598 -7.843 -0.737 1.00 0.00 H new ATOM 1037 N ARG A 70 -9.885 -4.744 0.717 1.00 0.00 N ATOM 1038 CA ARG A 70 -10.586 -4.638 1.979 1.00 0.00 C ATOM 1039 C ARG A 70 -10.010 -3.522 2.835 1.00 0.00 C ATOM 1040 O ARG A 70 -8.845 -3.163 2.681 1.00 0.00 O ATOM 1041 CB ARG A 70 -10.461 -5.960 2.741 1.00 0.00 C ATOM 1042 CG ARG A 70 -11.831 -6.518 3.111 1.00 0.00 C ATOM 1043 CD ARG A 70 -11.717 -7.207 4.472 1.00 0.00 C ATOM 1044 NE ARG A 70 -12.964 -7.877 4.860 1.00 0.00 N ATOM 1045 CZ ARG A 70 -13.230 -9.183 4.707 1.00 0.00 C ATOM 1046 NH1 ARG A 70 -12.341 -9.987 4.113 1.00 0.00 N ATOM 1047 NH2 ARG A 70 -14.394 -9.676 5.143 1.00 0.00 N ATOM 0 H ARG A 70 -8.899 -4.489 0.763 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.632 -4.414 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.924 -6.685 2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.872 -5.807 3.645 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.569 -5.717 3.152 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.170 -7.226 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.908 -7.937 4.441 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.452 -6.470 5.230 1.00 0.00 H new ATOM 0 HE ARG A 70 -13.691 -7.300 5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -11.457 -9.608 3.774 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.547 -10.979 3.999 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -15.074 -9.060 5.589 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -14.602 -10.668 5.030 1.00 0.00 H new ATOM 1061 N ASP A 71 -10.832 -3.037 3.769 1.00 0.00 N ATOM 1062 CA ASP A 71 -10.454 -2.090 4.806 1.00 0.00 C ATOM 1063 C ASP A 71 -10.547 -2.789 6.173 1.00 0.00 C ATOM 1064 O ASP A 71 -11.232 -2.319 7.079 1.00 0.00 O ATOM 1065 CB ASP A 71 -11.339 -0.839 4.667 1.00 0.00 C ATOM 1066 CG ASP A 71 -11.101 0.191 5.762 1.00 0.00 C ATOM 1067 OD1 ASP A 71 -9.974 0.721 5.845 1.00 0.00 O ATOM 1068 OD2 ASP A 71 -12.045 0.419 6.555 1.00 0.00 O ATOM 0 H ASP A 71 -11.814 -3.307 3.820 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.422 -1.753 4.708 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.154 -0.377 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.387 -1.140 4.682 1.00 0.00 H new ATOM 1073 N SER A 72 -9.880 -3.942 6.282 1.00 0.00 N ATOM 1074 CA SER A 72 -9.737 -4.855 7.406 1.00 0.00 C ATOM 1075 C SER A 72 -9.391 -6.187 6.740 1.00 0.00 C ATOM 1076 O SER A 72 -10.014 -7.208 7.114 1.00 0.00 O ATOM 1077 CB SER A 72 -10.986 -4.974 8.302 1.00 0.00 C ATOM 1078 OG SER A 72 -12.035 -5.645 7.629 1.00 0.00 O ATOM 1079 OXT SER A 72 -8.635 -6.119 5.747 1.00 0.00 O ATOM 0 H SER A 72 -9.364 -4.296 5.477 1.00 0.00 H new ATOM 0 HA SER A 72 -8.979 -4.498 8.103 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.732 -5.513 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.319 -3.980 8.601 1.00 0.00 H new ATOM 0 HG SER A 72 -11.768 -6.570 7.448 1.00 0.00 H new TER 1085 SER A 72 END