USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 524 hydrogens (0 hets) HEADER CHAPERONE 08-MAR-05 1Z2G TITLE SOLUTION STRUCTURE OF APO, OXIDIZED YEAST COX17 COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C OXIDASE COPPER CHAPERONE; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: COX17; COMPND 5 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 GENE: YLL009C; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PAED4 KEYWDS COPPER CHAPERONE, CYTOCHROME C OXIDASE ASSEMBLY, DISULFIDE KEYWDS 2 BONDS, COILED COIL-HELIX-COILED COIL-HELIX DOMAIN, KEYWDS 3 STRUCTURAL GENOMICS, STRUCTURAL PROTEOMICS IN EUROPE, SPINE EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR F.ARNESANO,E.BALATRI,L.BANCI,I.BERTINI,D.R.WINGE,STRUCTURAL AUTHOR 2 PROTEOMICS IN EUROPE (SPINE) REVDAT 2 24-FEB-09 1Z2G 1 VERSN REVDAT 1 07-JUN-05 1Z2G 0 JRNL AUTH F.ARNESANO,E.BALATRI,L.BANCI,I.BERTINI,D.R.WINGE JRNL TITL FOLDING STUDIES OF COX17 REVEAL AN IMPORTANT JRNL TITL 2 INTERPLAY OF CYSTEINE OXIDATION AND COPPER BINDING JRNL REF STRUCTURE V. 13 713 2005 JRNL REFN ISSN 0969-2126 JRNL PMID 15893662 JRNL DOI 10.1016/J.STR.2005.02.015 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 6 REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM,FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1Z2G COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 10-MAR-05. REMARK 100 THE RCSB ID CODE IS RCSB032213. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7 REMARK 210 IONIC STRENGTH : 50MM PHOSPHATE BUFFER REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM COX17 15N, 13C; 1MM REMARK 210 DITHIOTHREITOL; 50MM PHOSPHATE REMARK 210 BUFFER; PH 7 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 3D_15N-SEPARATED_ REMARK 210 NOESY, 3D_13C-SEPARATED_NOESY, REMARK 210 HNHA, 2D TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 700 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, DYANA REMARK 210 METHOD USED : SIMULATED ANNEALING, TORSION REMARK 210 ANGLE DYNAMICS 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 ASP A 5 -78.73 -79.07 REMARK 500 LYS A 6 82.93 -64.89 REMARK 500 LYS A 7 -93.88 -122.70 REMARK 500 GLU A 9 -62.01 -104.00 REMARK 500 GLU A 15 63.56 -69.83 REMARK 500 ASP A 18 74.75 -66.61 REMARK 500 CYS A 23 166.77 74.33 REMARK 500 CYS A 24 -91.21 57.43 REMARK 500 VAL A 25 -132.46 36.29 REMARK 500 CYS A 26 35.58 -169.65 REMARK 500 ASN A 40 46.94 -158.23 REMARK 500 GLN A 42 -73.22 59.26 REMARK 500 CYS A 57 -69.92 -17.36 REMARK 500 VAL A 65 143.62 78.40 REMARK 500 ALA A 68 90.61 -169.71 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS REMARK 500 REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH REMARK 500 CIS AND TRANS CONFORMATION. CIS BONDS, IF ANY, ARE LISTED REMARK 500 ON CISPEP RECORDS. TRANS IS DEFINED AS 180 +/- 30 AND REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES. REMARK 500 MODEL OMEGA REMARK 500 ASP A 43 SER A 44 -141.85 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1U96 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF YEAST COX17 WITH COPPER BOUND REMARK 900 RELATED ID: 1U97 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF APO, REDUCED YEAST COX17 REMARK 900 RELATED ID: CIRMMP23 RELATED DB: TARGETDB DBREF 1Z2G A 1 69 UNP Q12287 COX17_YEAST 0 68 SEQRES 1 A 69 MET THR GLU THR ASP LYS LYS GLN GLU GLN GLU ASN HIS SEQRES 2 A 69 ALA GLU CYS GLU ASP LYS PRO LYS PRO CYS CYS VAL CYS SEQRES 3 A 69 LYS PRO GLU LYS GLU GLU ARG ASP THR CYS ILE LEU PHE SEQRES 4 A 69 ASN GLY GLN ASP SER GLU LYS CYS LYS GLU PHE ILE GLU SEQRES 5 A 69 LYS TYR LYS GLU CYS MET LYS GLY TYR GLY PHE GLU VAL SEQRES 6 A 69 PRO SER ALA ASN HELIX 1 1 MET A 1 LYS A 6 1 6 HELIX 2 2 CYS A 26 GLY A 41 1 16 HELIX 3 3 CYS A 47 GLY A 62 1 16 SSBOND *** CYS A 26 CYS A 57 1555 1555 2.08 SSBOND *** CYS A 36 CYS A 47 1555 1555 2.08 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 30 LYS NZ :NH3+ -175:sc= 0.402! (180deg=-0.38!) USER MOD Set 1.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 69 ASN : amide:sc= 0.667 K(o=1.1,f=-9.2!) USER MOD Set 2.1: A 8 GLN : amide:sc= 0.98 K(o=2.1,f=-2.1) USER MOD Set 2.2: A 10 GLN : amide:sc= 1.14 K(o=2.1,f=-0.86) USER MOD Set 3.1: A 1 MET N :NH3+ -169:sc= 1.21 (180deg=-0.139) USER MOD Set 3.2: A 4 THR OG1 : rot -140:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 170:sc=-0.00075 (180deg=-0.13) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 2.18 (180deg=2.03) USER MOD Single : A 7 LYS NZ :NH3+ 175:sc= 2.08 (180deg=1.86) USER MOD Single : A 12 ASN : amide:sc= 0.853 K(o=0.85,f=-3.4!) USER MOD Single : A 13 HIS : no HE2:sc= 0.516 K(o=0.52,f=-3!) USER MOD Single : A 16 CYS SG : rot 180:sc= -0.11 USER MOD Single : A 19 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.038) USER MOD Single : A 21 LYS NZ :NH3+ -176:sc= 2.4 (180deg=1.99) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 168:sc= 1.04 (180deg=0.0144) USER MOD Single : A 35 THR OG1 : rot 84:sc= 1.22 USER MOD Single : A 40 ASN : amide:sc= -0.575 X(o=-0.58,f=-0.58) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -142:sc= 1.45 USER MOD Single : A 46 LYS NZ :NH3+ -164:sc= 0.465 (180deg=0.134!) USER MOD Single : A 48 LYS NZ :NH3+ -156:sc= 0.194! (180deg=-0.461!) USER MOD Single : A 53 LYS NZ :NH3+ 151:sc= 2.34 (180deg=0.0851) USER MOD Single : A 55 LYS NZ :NH3+ -165:sc= 0.889 (180deg=-0.891!) USER MOD Single : A 58 MET CE :methyl 174:sc= -0.563 (180deg=-0.723) USER MOD Single : A 59 LYS NZ :NH3+ -172:sc= 1.1 (180deg=0.972) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.454 18.994 10.725 1.00 10.00 N ATOM 2 CA MET A 1 -13.434 19.479 9.334 1.00 10.00 C ATOM 3 C MET A 1 -12.072 20.117 9.071 1.00 10.00 C ATOM 4 O MET A 1 -11.280 20.229 10.005 1.00 10.00 O ATOM 5 CB MET A 1 -14.570 20.480 9.069 1.00 10.00 C ATOM 6 CG MET A 1 -15.963 19.845 9.182 1.00 10.00 C ATOM 7 SD MET A 1 -17.358 20.969 8.901 1.00 10.00 S ATOM 8 CE MET A 1 -17.116 21.416 7.166 1.00 10.00 C ATOM 0 H1 MET A 1 -14.291 18.395 10.872 1.00 10.00 H new ATOM 0 H2 MET A 1 -12.594 18.439 10.912 1.00 10.00 H new ATOM 0 H3 MET A 1 -13.490 19.805 11.375 1.00 10.00 H new ATOM 0 HA MET A 1 -13.592 18.641 8.655 1.00 10.00 H new ATOM 0 HB2 MET A 1 -14.494 21.305 9.777 1.00 10.00 H new ATOM 0 HB3 MET A 1 -14.449 20.904 8.072 1.00 10.00 H new ATOM 0 HG2 MET A 1 -16.029 19.026 8.466 1.00 10.00 H new ATOM 0 HG3 MET A 1 -16.065 19.409 10.176 1.00 10.00 H new ATOM 0 HE1 MET A 1 -17.990 21.957 6.804 1.00 10.00 H new ATOM 0 HE2 MET A 1 -16.234 22.049 7.073 1.00 10.00 H new ATOM 0 HE3 MET A 1 -16.978 20.512 6.573 1.00 10.00 H new ATOM 20 N THR A 2 -11.804 20.537 7.835 1.00 10.00 N ATOM 21 CA THR A 2 -10.548 21.132 7.409 1.00 10.00 C ATOM 22 C THR A 2 -10.074 22.191 8.411 1.00 10.00 C ATOM 23 O THR A 2 -8.972 22.099 8.947 1.00 10.00 O ATOM 24 CB THR A 2 -10.754 21.693 5.989 1.00 10.00 C ATOM 25 OG1 THR A 2 -11.806 20.977 5.357 1.00 10.00 O ATOM 26 CG2 THR A 2 -9.488 21.555 5.140 1.00 10.00 C ATOM 0 H THR A 2 -12.484 20.467 7.078 1.00 10.00 H new ATOM 0 HA THR A 2 -9.753 20.387 7.380 1.00 10.00 H new ATOM 0 HB THR A 2 -10.998 22.752 6.075 1.00 10.00 H new ATOM 0 HG1 THR A 2 -11.945 21.329 4.453 1.00 10.00 H new ATOM 0 HG21 THR A 2 -9.671 21.961 4.145 1.00 10.00 H new ATOM 0 HG22 THR A 2 -8.672 22.103 5.611 1.00 10.00 H new ATOM 0 HG23 THR A 2 -9.218 20.502 5.058 1.00 10.00 H new ATOM 34 N GLU A 3 -10.935 23.158 8.731 1.00 10.00 N ATOM 35 CA GLU A 3 -10.592 24.248 9.631 1.00 10.00 C ATOM 36 C GLU A 3 -10.367 23.777 11.070 1.00 10.00 C ATOM 37 O GLU A 3 -9.630 24.418 11.816 1.00 10.00 O ATOM 38 CB GLU A 3 -11.652 25.355 9.536 1.00 10.00 C ATOM 39 CG GLU A 3 -11.926 25.766 8.079 1.00 10.00 C ATOM 40 CD GLU A 3 -10.638 25.947 7.288 1.00 10.00 C ATOM 41 OE1 GLU A 3 -9.844 26.835 7.673 1.00 10.00 O ATOM 42 OE2 GLU A 3 -10.415 25.141 6.362 1.00 10.00 O ATOM 0 H GLU A 3 -11.888 23.203 8.371 1.00 10.00 H new ATOM 0 HA GLU A 3 -9.635 24.661 9.312 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -12.578 25.011 9.996 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -11.319 26.225 10.102 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -12.544 25.008 7.598 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -12.494 26.696 8.065 1.00 10.00 H new ATOM 49 N THR A 4 -10.963 22.647 11.467 1.00 10.00 N ATOM 50 CA THR A 4 -10.663 22.034 12.752 1.00 10.00 C ATOM 51 C THR A 4 -9.180 21.655 12.799 1.00 10.00 C ATOM 52 O THR A 4 -8.529 21.821 13.832 1.00 10.00 O ATOM 53 CB THR A 4 -11.560 20.805 12.974 1.00 10.00 C ATOM 54 OG1 THR A 4 -12.844 21.018 12.403 1.00 10.00 O ATOM 55 CG2 THR A 4 -11.725 20.504 14.465 1.00 10.00 C ATOM 0 H THR A 4 -11.655 22.144 10.912 1.00 10.00 H new ATOM 0 HA THR A 4 -10.866 22.743 13.555 1.00 10.00 H new ATOM 0 HB THR A 4 -11.077 19.956 12.491 1.00 10.00 H new ATOM 0 HG1 THR A 4 -13.531 20.653 12.999 1.00 10.00 H new ATOM 0 HG21 THR A 4 -12.364 19.630 14.591 1.00 10.00 H new ATOM 0 HG22 THR A 4 -10.748 20.306 14.906 1.00 10.00 H new ATOM 0 HG23 THR A 4 -12.180 21.361 14.961 1.00 10.00 H new ATOM 63 N ASP A 5 -8.645 21.172 11.673 1.00 10.00 N ATOM 64 CA ASP A 5 -7.234 20.860 11.524 1.00 10.00 C ATOM 65 C ASP A 5 -6.432 22.142 11.278 1.00 10.00 C ATOM 66 O ASP A 5 -5.809 22.662 12.206 1.00 10.00 O ATOM 67 CB ASP A 5 -7.044 19.829 10.402 1.00 10.00 C ATOM 68 CG ASP A 5 -5.591 19.781 9.952 1.00 10.00 C ATOM 69 OD1 ASP A 5 -4.737 19.598 10.843 1.00 10.00 O ATOM 70 OD2 ASP A 5 -5.370 19.994 8.742 1.00 10.00 O ATOM 0 H ASP A 5 -9.193 20.987 10.833 1.00 10.00 H new ATOM 0 HA ASP A 5 -6.856 20.416 12.445 1.00 10.00 H new ATOM 0 HB2 ASP A 5 -7.354 18.844 10.751 1.00 10.00 H new ATOM 0 HB3 ASP A 5 -7.683 20.083 9.556 1.00 10.00 H new ATOM 75 N LYS A 6 -6.456 22.653 10.042 1.00 10.00 N ATOM 76 CA LYS A 6 -5.421 23.533 9.508 1.00 10.00 C ATOM 77 C LYS A 6 -5.329 24.881 10.231 1.00 10.00 C ATOM 78 O LYS A 6 -5.856 25.895 9.765 1.00 10.00 O ATOM 79 CB LYS A 6 -5.546 23.698 7.985 1.00 10.00 C ATOM 80 CG LYS A 6 -6.968 24.035 7.521 1.00 10.00 C ATOM 81 CD LYS A 6 -6.999 24.941 6.281 1.00 10.00 C ATOM 82 CE LYS A 6 -6.544 26.387 6.539 1.00 10.00 C ATOM 83 NZ LYS A 6 -7.214 26.986 7.711 1.00 10.00 N ATOM 0 H LYS A 6 -7.207 22.462 9.379 1.00 10.00 H new ATOM 0 HA LYS A 6 -4.473 23.034 9.707 1.00 10.00 H new ATOM 0 HB2 LYS A 6 -4.869 24.486 7.656 1.00 10.00 H new ATOM 0 HB3 LYS A 6 -5.223 22.777 7.500 1.00 10.00 H new ATOM 0 HG2 LYS A 6 -7.501 23.110 7.301 1.00 10.00 H new ATOM 0 HG3 LYS A 6 -7.503 24.525 8.335 1.00 10.00 H new ATOM 0 HD2 LYS A 6 -6.362 24.505 5.511 1.00 10.00 H new ATOM 0 HD3 LYS A 6 -8.014 24.958 5.884 1.00 10.00 H new ATOM 0 HE2 LYS A 6 -5.465 26.404 6.692 1.00 10.00 H new ATOM 0 HE3 LYS A 6 -6.750 26.993 5.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 6 -7.316 28.011 7.566 1.00 10.00 H new ATOM 0 HZ2 LYS A 6 -8.154 26.558 7.830 1.00 10.00 H new ATOM 0 HZ3 LYS A 6 -6.644 26.812 8.563 1.00 10.00 H new ATOM 97 N LYS A 7 -4.614 24.874 11.356 1.00 10.00 N ATOM 98 CA LYS A 7 -4.104 26.023 12.081 1.00 10.00 C ATOM 99 C LYS A 7 -2.586 25.821 12.165 1.00 10.00 C ATOM 100 O LYS A 7 -1.871 26.133 11.218 1.00 10.00 O ATOM 101 CB LYS A 7 -4.786 26.077 13.457 1.00 10.00 C ATOM 102 CG LYS A 7 -6.282 26.400 13.346 1.00 10.00 C ATOM 103 CD LYS A 7 -6.998 26.116 14.675 1.00 10.00 C ATOM 104 CE LYS A 7 -7.643 24.721 14.728 1.00 10.00 C ATOM 105 NZ LYS A 7 -6.704 23.601 14.504 1.00 10.00 N ATOM 0 H LYS A 7 -4.361 23.998 11.812 1.00 10.00 H new ATOM 0 HA LYS A 7 -4.313 26.977 11.597 1.00 10.00 H new ATOM 0 HB2 LYS A 7 -4.659 25.120 13.962 1.00 10.00 H new ATOM 0 HB3 LYS A 7 -4.297 26.831 14.074 1.00 10.00 H new ATOM 0 HG2 LYS A 7 -6.414 27.447 13.072 1.00 10.00 H new ATOM 0 HG3 LYS A 7 -6.730 25.804 12.551 1.00 10.00 H new ATOM 0 HD2 LYS A 7 -6.284 26.210 15.493 1.00 10.00 H new ATOM 0 HD3 LYS A 7 -7.767 26.871 14.835 1.00 10.00 H new ATOM 0 HE2 LYS A 7 -8.118 24.591 15.701 1.00 10.00 H new ATOM 0 HE3 LYS A 7 -8.433 24.671 13.979 1.00 10.00 H new ATOM 0 HZ1 LYS A 7 -7.202 22.698 14.640 1.00 10.00 H new ATOM 0 HZ2 LYS A 7 -6.332 23.649 13.534 1.00 10.00 H new ATOM 0 HZ3 LYS A 7 -5.917 23.667 15.180 1.00 10.00 H new ATOM 119 N GLN A 8 -2.115 25.224 13.263 1.00 10.00 N ATOM 120 CA GLN A 8 -0.851 24.518 13.382 1.00 10.00 C ATOM 121 C GLN A 8 -1.133 23.349 14.328 1.00 10.00 C ATOM 122 O GLN A 8 -2.191 23.335 14.962 1.00 10.00 O ATOM 123 CB GLN A 8 0.245 25.424 13.960 1.00 10.00 C ATOM 124 CG GLN A 8 0.589 26.598 13.035 1.00 10.00 C ATOM 125 CD GLN A 8 1.806 27.379 13.521 1.00 10.00 C ATOM 126 OE1 GLN A 8 2.381 27.080 14.564 1.00 10.00 O ATOM 127 NE2 GLN A 8 2.215 28.397 12.769 1.00 10.00 N ATOM 0 H GLN A 8 -2.640 25.224 14.138 1.00 10.00 H new ATOM 0 HA GLN A 8 -0.488 24.185 12.409 1.00 10.00 H new ATOM 0 HB2 GLN A 8 -0.080 25.811 14.926 1.00 10.00 H new ATOM 0 HB3 GLN A 8 1.143 24.833 14.139 1.00 10.00 H new ATOM 0 HG2 GLN A 8 0.779 26.222 12.030 1.00 10.00 H new ATOM 0 HG3 GLN A 8 -0.268 27.269 12.968 1.00 10.00 H new ATOM 0 HE21 GLN A 8 1.720 28.625 11.907 1.00 10.00 H new ATOM 0 HE22 GLN A 8 3.023 28.949 13.055 1.00 10.00 H new ATOM 136 N GLU A 9 -0.199 22.400 14.423 1.00 10.00 N ATOM 137 CA GLU A 9 -0.254 21.283 15.357 1.00 10.00 C ATOM 138 C GLU A 9 0.714 21.542 16.517 1.00 10.00 C ATOM 139 O GLU A 9 0.276 21.698 17.653 1.00 10.00 O ATOM 140 CB GLU A 9 -0.066 19.940 14.622 1.00 10.00 C ATOM 141 CG GLU A 9 1.024 19.848 13.532 1.00 10.00 C ATOM 142 CD GLU A 9 2.286 19.157 14.013 1.00 10.00 C ATOM 143 OE1 GLU A 9 3.085 19.859 14.671 1.00 10.00 O ATOM 144 OE2 GLU A 9 2.408 17.943 13.779 1.00 10.00 O ATOM 0 H GLU A 9 0.635 22.391 13.836 1.00 10.00 H new ATOM 0 HA GLU A 9 -1.243 21.202 15.808 1.00 10.00 H new ATOM 0 HB2 GLU A 9 0.148 19.178 15.371 1.00 10.00 H new ATOM 0 HB3 GLU A 9 -1.019 19.676 14.163 1.00 10.00 H new ATOM 0 HG2 GLU A 9 0.626 19.309 12.673 1.00 10.00 H new ATOM 0 HG3 GLU A 9 1.274 20.852 13.190 1.00 10.00 H new ATOM 151 N GLN A 10 2.010 21.649 16.215 1.00 10.00 N ATOM 152 CA GLN A 10 3.097 21.793 17.175 1.00 10.00 C ATOM 153 C GLN A 10 3.229 20.517 18.013 1.00 10.00 C ATOM 154 O GLN A 10 3.436 20.576 19.223 1.00 10.00 O ATOM 155 CB GLN A 10 2.969 23.071 18.024 1.00 10.00 C ATOM 156 CG GLN A 10 2.803 24.329 17.160 1.00 10.00 C ATOM 157 CD GLN A 10 2.808 25.610 17.992 1.00 10.00 C ATOM 158 OE1 GLN A 10 2.894 25.580 19.216 1.00 10.00 O ATOM 159 NE2 GLN A 10 2.719 26.764 17.339 1.00 10.00 N ATOM 0 H GLN A 10 2.341 21.637 15.250 1.00 10.00 H new ATOM 0 HA GLN A 10 4.029 21.920 16.624 1.00 10.00 H new ATOM 0 HB2 GLN A 10 2.113 22.976 18.693 1.00 10.00 H new ATOM 0 HB3 GLN A 10 3.854 23.178 18.652 1.00 10.00 H new ATOM 0 HG2 GLN A 10 3.608 24.372 16.427 1.00 10.00 H new ATOM 0 HG3 GLN A 10 1.868 24.264 16.603 1.00 10.00 H new ATOM 0 HE21 GLN A 10 2.648 26.770 16.321 1.00 10.00 H new ATOM 0 HE22 GLN A 10 2.721 27.644 17.855 1.00 10.00 H new ATOM 168 N GLU A 11 3.135 19.366 17.342 1.00 10.00 N ATOM 169 CA GLU A 11 3.277 18.047 17.940 1.00 10.00 C ATOM 170 C GLU A 11 4.760 17.675 17.947 1.00 10.00 C ATOM 171 O GLU A 11 5.332 17.367 18.992 1.00 10.00 O ATOM 172 CB GLU A 11 2.431 17.042 17.137 1.00 10.00 C ATOM 173 CG GLU A 11 2.423 15.622 17.729 1.00 10.00 C ATOM 174 CD GLU A 11 1.728 15.535 19.084 1.00 10.00 C ATOM 175 OE1 GLU A 11 0.653 16.159 19.218 1.00 10.00 O ATOM 176 OE2 GLU A 11 2.275 14.826 19.956 1.00 10.00 O ATOM 0 H GLU A 11 2.953 19.331 16.339 1.00 10.00 H new ATOM 0 HA GLU A 11 2.919 18.035 18.969 1.00 10.00 H new ATOM 0 HB2 GLU A 11 1.406 17.408 17.081 1.00 10.00 H new ATOM 0 HB3 GLU A 11 2.810 16.997 16.116 1.00 10.00 H new ATOM 0 HG2 GLU A 11 1.927 14.948 17.031 1.00 10.00 H new ATOM 0 HG3 GLU A 11 3.451 15.274 17.833 1.00 10.00 H new ATOM 183 N ASN A 12 5.390 17.703 16.768 1.00 10.00 N ATOM 184 CA ASN A 12 6.746 17.210 16.563 1.00 10.00 C ATOM 185 C ASN A 12 7.537 18.177 15.686 1.00 10.00 C ATOM 186 O ASN A 12 7.162 18.421 14.545 1.00 10.00 O ATOM 187 CB ASN A 12 6.683 15.826 15.907 1.00 10.00 C ATOM 188 CG ASN A 12 8.056 15.376 15.417 1.00 10.00 C ATOM 189 OD1 ASN A 12 8.390 15.552 14.253 1.00 10.00 O ATOM 190 ND2 ASN A 12 8.879 14.805 16.291 1.00 10.00 N ATOM 0 H ASN A 12 4.962 18.075 15.920 1.00 10.00 H new ATOM 0 HA ASN A 12 7.252 17.133 17.525 1.00 10.00 H new ATOM 0 HB2 ASN A 12 6.295 15.101 16.622 1.00 10.00 H new ATOM 0 HB3 ASN A 12 5.987 15.851 15.069 1.00 10.00 H new ATOM 0 HD21 ASN A 12 9.808 14.505 15.996 1.00 10.00 H new ATOM 0 HD22 ASN A 12 8.582 14.667 17.257 1.00 10.00 H new ATOM 197 N HIS A 13 8.652 18.695 16.211 1.00 10.00 N ATOM 198 CA HIS A 13 9.646 19.409 15.416 1.00 10.00 C ATOM 199 C HIS A 13 10.673 18.417 14.859 1.00 10.00 C ATOM 200 O HIS A 13 11.140 18.568 13.731 1.00 10.00 O ATOM 201 CB HIS A 13 10.320 20.487 16.276 1.00 10.00 C ATOM 202 CG HIS A 13 11.250 21.407 15.517 1.00 10.00 C ATOM 203 ND1 HIS A 13 11.756 21.211 14.249 1.00 10.00 N ATOM 204 CD2 HIS A 13 11.749 22.598 15.975 1.00 10.00 C ATOM 205 CE1 HIS A 13 12.541 22.262 13.956 1.00 10.00 C ATOM 206 NE2 HIS A 13 12.569 23.133 14.979 1.00 10.00 N ATOM 0 H HIS A 13 8.887 18.629 17.201 1.00 10.00 H new ATOM 0 HA HIS A 13 9.160 19.902 14.574 1.00 10.00 H new ATOM 0 HB2 HIS A 13 9.546 21.088 16.754 1.00 10.00 H new ATOM 0 HB3 HIS A 13 10.883 19.999 17.072 1.00 10.00 H new ATOM 0 HD1 HIS A 13 11.568 20.412 13.643 1.00 10.00 H new ATOM 0 HD2 HIS A 13 11.544 23.044 16.937 1.00 10.00 H new ATOM 0 HE1 HIS A 13 13.076 22.389 13.026 1.00 10.00 H new ATOM 214 N ALA A 14 11.077 17.435 15.670 1.00 10.00 N ATOM 215 CA ALA A 14 12.092 16.464 15.295 1.00 10.00 C ATOM 216 C ALA A 14 11.493 15.434 14.336 1.00 10.00 C ATOM 217 O ALA A 14 11.201 14.307 14.742 1.00 10.00 O ATOM 218 CB ALA A 14 12.669 15.813 16.557 1.00 10.00 C ATOM 0 H ALA A 14 10.703 17.296 16.609 1.00 10.00 H new ATOM 0 HA ALA A 14 12.911 16.958 14.773 1.00 10.00 H new ATOM 0 HB1 ALA A 14 13.430 15.085 16.276 1.00 10.00 H new ATOM 0 HB2 ALA A 14 13.117 16.580 17.190 1.00 10.00 H new ATOM 0 HB3 ALA A 14 11.871 15.311 17.105 1.00 10.00 H new ATOM 224 N GLU A 15 11.313 15.833 13.075 1.00 10.00 N ATOM 225 CA GLU A 15 10.760 15.029 11.992 1.00 10.00 C ATOM 226 C GLU A 15 11.728 13.909 11.572 1.00 10.00 C ATOM 227 O GLU A 15 12.224 13.863 10.450 1.00 10.00 O ATOM 228 CB GLU A 15 10.341 15.954 10.834 1.00 10.00 C ATOM 229 CG GLU A 15 11.421 16.955 10.375 1.00 10.00 C ATOM 230 CD GLU A 15 10.952 17.834 9.218 1.00 10.00 C ATOM 231 OE1 GLU A 15 9.919 17.489 8.605 1.00 10.00 O ATOM 232 OE2 GLU A 15 11.642 18.847 8.974 1.00 10.00 O ATOM 0 H GLU A 15 11.563 16.774 12.770 1.00 10.00 H new ATOM 0 HA GLU A 15 9.864 14.513 12.335 1.00 10.00 H new ATOM 0 HB2 GLU A 15 10.053 15.337 9.982 1.00 10.00 H new ATOM 0 HB3 GLU A 15 9.455 16.512 11.137 1.00 10.00 H new ATOM 0 HG2 GLU A 15 11.705 17.588 11.216 1.00 10.00 H new ATOM 0 HG3 GLU A 15 12.314 16.408 10.072 1.00 10.00 H new ATOM 239 N CYS A 16 12.004 12.982 12.490 1.00 10.00 N ATOM 240 CA CYS A 16 13.029 11.959 12.317 1.00 10.00 C ATOM 241 C CYS A 16 12.691 10.954 11.217 1.00 10.00 C ATOM 242 O CYS A 16 13.595 10.421 10.573 1.00 10.00 O ATOM 243 CB CYS A 16 13.314 11.250 13.648 1.00 10.00 C ATOM 244 SG CYS A 16 11.990 10.083 14.054 1.00 10.00 S ATOM 0 H CYS A 16 11.515 12.922 13.383 1.00 10.00 H new ATOM 0 HA CYS A 16 13.934 12.472 11.991 1.00 10.00 H new ATOM 0 HB2 CYS A 16 14.265 10.721 13.586 1.00 10.00 H new ATOM 0 HB3 CYS A 16 13.411 11.988 14.444 1.00 10.00 H new ATOM 0 HG CYS A 16 12.259 9.497 15.183 1.00 10.00 H new ATOM 250 N GLU A 17 11.406 10.658 10.992 1.00 10.00 N ATOM 251 CA GLU A 17 11.005 9.636 10.038 1.00 10.00 C ATOM 252 C GLU A 17 11.055 10.174 8.602 1.00 10.00 C ATOM 253 O GLU A 17 10.032 10.314 7.935 1.00 10.00 O ATOM 254 CB GLU A 17 9.677 8.982 10.464 1.00 10.00 C ATOM 255 CG GLU A 17 8.432 9.894 10.451 1.00 10.00 C ATOM 256 CD GLU A 17 7.494 9.619 9.280 1.00 10.00 C ATOM 257 OE1 GLU A 17 7.322 8.437 8.900 1.00 10.00 O ATOM 258 OE2 GLU A 17 6.924 10.578 8.718 1.00 10.00 O ATOM 0 H GLU A 17 10.628 11.118 11.464 1.00 10.00 H new ATOM 0 HA GLU A 17 11.725 8.818 10.043 1.00 10.00 H new ATOM 0 HB2 GLU A 17 9.487 8.134 9.807 1.00 10.00 H new ATOM 0 HB3 GLU A 17 9.799 8.584 11.471 1.00 10.00 H new ATOM 0 HG2 GLU A 17 7.885 9.763 11.384 1.00 10.00 H new ATOM 0 HG3 GLU A 17 8.753 10.935 10.413 1.00 10.00 H new ATOM 265 N ASP A 18 12.274 10.411 8.101 1.00 10.00 N ATOM 266 CA ASP A 18 12.528 10.781 6.711 1.00 10.00 C ATOM 267 C ASP A 18 12.176 9.612 5.784 1.00 10.00 C ATOM 268 O ASP A 18 13.039 8.861 5.331 1.00 10.00 O ATOM 269 CB ASP A 18 13.989 11.214 6.539 1.00 10.00 C ATOM 270 CG ASP A 18 14.312 11.532 5.081 1.00 10.00 C ATOM 271 OD1 ASP A 18 13.358 11.849 4.336 1.00 10.00 O ATOM 272 OD2 ASP A 18 15.510 11.447 4.738 1.00 10.00 O ATOM 0 H ASP A 18 13.123 10.349 8.663 1.00 10.00 H new ATOM 0 HA ASP A 18 11.895 11.626 6.441 1.00 10.00 H new ATOM 0 HB2 ASP A 18 14.184 12.092 7.155 1.00 10.00 H new ATOM 0 HB3 ASP A 18 14.648 10.422 6.894 1.00 10.00 H new ATOM 277 N LYS A 19 10.876 9.395 5.591 1.00 10.00 N ATOM 278 CA LYS A 19 10.299 8.299 4.840 1.00 10.00 C ATOM 279 C LYS A 19 9.032 8.846 4.171 1.00 10.00 C ATOM 280 O LYS A 19 7.976 8.865 4.810 1.00 10.00 O ATOM 281 CB LYS A 19 9.979 7.122 5.787 1.00 10.00 C ATOM 282 CG LYS A 19 11.178 6.595 6.597 1.00 10.00 C ATOM 283 CD LYS A 19 12.235 5.887 5.730 1.00 10.00 C ATOM 284 CE LYS A 19 13.624 5.856 6.388 1.00 10.00 C ATOM 285 NZ LYS A 19 13.602 5.307 7.758 1.00 10.00 N ATOM 0 H LYS A 19 10.166 10.016 5.978 1.00 10.00 H new ATOM 0 HA LYS A 19 10.988 7.918 4.086 1.00 10.00 H new ATOM 0 HB2 LYS A 19 9.200 7.436 6.482 1.00 10.00 H new ATOM 0 HB3 LYS A 19 9.569 6.302 5.198 1.00 10.00 H new ATOM 0 HG2 LYS A 19 11.647 7.427 7.122 1.00 10.00 H new ATOM 0 HG3 LYS A 19 10.818 5.901 7.357 1.00 10.00 H new ATOM 0 HD2 LYS A 19 11.910 4.866 5.531 1.00 10.00 H new ATOM 0 HD3 LYS A 19 12.306 6.393 4.767 1.00 10.00 H new ATOM 0 HE2 LYS A 19 14.297 5.258 5.774 1.00 10.00 H new ATOM 0 HE3 LYS A 19 14.030 6.867 6.414 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 14.575 5.232 8.118 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 13.052 5.937 8.376 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 13.164 4.364 7.747 1.00 10.00 H new ATOM 299 N PRO A 20 9.100 9.337 2.923 1.00 10.00 N ATOM 300 CA PRO A 20 7.928 9.873 2.252 1.00 10.00 C ATOM 301 C PRO A 20 6.910 8.754 2.025 1.00 10.00 C ATOM 302 O PRO A 20 7.279 7.593 1.853 1.00 10.00 O ATOM 303 CB PRO A 20 8.437 10.492 0.947 1.00 10.00 C ATOM 304 CG PRO A 20 9.717 9.709 0.660 1.00 10.00 C ATOM 305 CD PRO A 20 10.266 9.399 2.054 1.00 10.00 C ATOM 0 HA PRO A 20 7.412 10.632 2.839 1.00 10.00 H new ATOM 0 HB2 PRO A 20 7.711 10.385 0.141 1.00 10.00 H new ATOM 0 HB3 PRO A 20 8.634 11.558 1.058 1.00 10.00 H new ATOM 0 HG2 PRO A 20 9.513 8.798 0.097 1.00 10.00 H new ATOM 0 HG3 PRO A 20 10.423 10.295 0.072 1.00 10.00 H new ATOM 0 HD2 PRO A 20 10.812 8.455 2.061 1.00 10.00 H new ATOM 0 HD3 PRO A 20 10.961 10.171 2.383 1.00 10.00 H new ATOM 313 N LYS A 21 5.621 9.100 2.073 1.00 10.00 N ATOM 314 CA LYS A 21 4.511 8.156 2.040 1.00 10.00 C ATOM 315 C LYS A 21 3.531 8.586 0.939 1.00 10.00 C ATOM 316 O LYS A 21 2.607 9.343 1.220 1.00 10.00 O ATOM 317 CB LYS A 21 3.856 8.134 3.432 1.00 10.00 C ATOM 318 CG LYS A 21 4.760 7.426 4.457 1.00 10.00 C ATOM 319 CD LYS A 21 4.298 7.639 5.908 1.00 10.00 C ATOM 320 CE LYS A 21 4.672 9.017 6.484 1.00 10.00 C ATOM 321 NZ LYS A 21 6.121 9.166 6.736 1.00 10.00 N ATOM 0 H LYS A 21 5.317 10.071 2.138 1.00 10.00 H new ATOM 0 HA LYS A 21 4.846 7.145 1.807 1.00 10.00 H new ATOM 0 HB2 LYS A 21 3.658 9.154 3.760 1.00 10.00 H new ATOM 0 HB3 LYS A 21 2.894 7.624 3.377 1.00 10.00 H new ATOM 0 HG2 LYS A 21 4.780 6.358 4.240 1.00 10.00 H new ATOM 0 HG3 LYS A 21 5.781 7.792 4.348 1.00 10.00 H new ATOM 0 HD2 LYS A 21 3.216 7.517 5.956 1.00 10.00 H new ATOM 0 HD3 LYS A 21 4.735 6.863 6.536 1.00 10.00 H new ATOM 0 HE2 LYS A 21 4.348 9.794 5.791 1.00 10.00 H new ATOM 0 HE3 LYS A 21 4.129 9.174 7.416 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 6.302 10.086 7.185 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 6.444 8.404 7.365 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 6.637 9.113 5.835 1.00 10.00 H new ATOM 335 N PRO A 22 3.723 8.127 -0.311 1.00 10.00 N ATOM 336 CA PRO A 22 2.865 8.470 -1.441 1.00 10.00 C ATOM 337 C PRO A 22 1.396 8.082 -1.249 1.00 10.00 C ATOM 338 O PRO A 22 0.524 8.706 -1.846 1.00 10.00 O ATOM 339 CB PRO A 22 3.451 7.729 -2.648 1.00 10.00 C ATOM 340 CG PRO A 22 4.921 7.550 -2.277 1.00 10.00 C ATOM 341 CD PRO A 22 4.860 7.340 -0.766 1.00 10.00 C ATOM 0 HA PRO A 22 2.853 9.553 -1.566 1.00 10.00 H new ATOM 0 HB2 PRO A 22 2.958 6.770 -2.808 1.00 10.00 H new ATOM 0 HB3 PRO A 22 3.336 8.304 -3.567 1.00 10.00 H new ATOM 0 HG2 PRO A 22 5.367 6.696 -2.787 1.00 10.00 H new ATOM 0 HG3 PRO A 22 5.515 8.425 -2.541 1.00 10.00 H new ATOM 0 HD2 PRO A 22 4.731 6.286 -0.521 1.00 10.00 H new ATOM 0 HD3 PRO A 22 5.782 7.668 -0.286 1.00 10.00 H new ATOM 349 N CYS A 23 1.146 7.022 -0.469 1.00 10.00 N ATOM 350 CA CYS A 23 -0.148 6.362 -0.303 1.00 10.00 C ATOM 351 C CYS A 23 -0.494 5.526 -1.537 1.00 10.00 C ATOM 352 O CYS A 23 0.174 5.598 -2.569 1.00 10.00 O ATOM 353 CB CYS A 23 -1.291 7.314 0.102 1.00 10.00 C ATOM 354 SG CYS A 23 -0.982 8.013 1.741 1.00 10.00 S ATOM 0 H CYS A 23 1.879 6.583 0.089 1.00 10.00 H new ATOM 0 HA CYS A 23 -0.041 5.687 0.546 1.00 10.00 H new ATOM 0 HB2 CYS A 23 -1.381 8.116 -0.631 1.00 10.00 H new ATOM 0 HB3 CYS A 23 -2.238 6.775 0.103 1.00 10.00 H new ATOM 0 HG CYS A 23 -1.955 8.813 2.062 1.00 10.00 H new ATOM 360 N CYS A 24 -1.508 4.668 -1.393 1.00 10.00 N ATOM 361 CA CYS A 24 -1.851 3.613 -2.339 1.00 10.00 C ATOM 362 C CYS A 24 -0.655 2.682 -2.545 1.00 10.00 C ATOM 363 O CYS A 24 -0.508 1.725 -1.788 1.00 10.00 O ATOM 364 CB CYS A 24 -2.424 4.153 -3.658 1.00 10.00 C ATOM 365 SG CYS A 24 -4.069 4.859 -3.405 1.00 10.00 S ATOM 0 H CYS A 24 -2.131 4.693 -0.586 1.00 10.00 H new ATOM 0 HA CYS A 24 -2.661 3.026 -1.906 1.00 10.00 H new ATOM 0 HB2 CYS A 24 -1.757 4.912 -4.065 1.00 10.00 H new ATOM 0 HB3 CYS A 24 -2.478 3.349 -4.392 1.00 10.00 H new ATOM 0 HG CYS A 24 -4.527 5.309 -4.536 1.00 10.00 H new ATOM 371 N VAL A 25 0.201 2.962 -3.539 1.00 10.00 N ATOM 372 CA VAL A 25 1.226 2.047 -4.045 1.00 10.00 C ATOM 373 C VAL A 25 0.697 0.601 -4.023 1.00 10.00 C ATOM 374 O VAL A 25 -0.432 0.394 -4.464 1.00 10.00 O ATOM 375 CB VAL A 25 2.586 2.289 -3.352 1.00 10.00 C ATOM 376 CG1 VAL A 25 3.140 3.660 -3.757 1.00 10.00 C ATOM 377 CG2 VAL A 25 2.531 2.216 -1.819 1.00 10.00 C ATOM 0 H VAL A 25 0.196 3.859 -4.025 1.00 10.00 H new ATOM 0 HA VAL A 25 1.438 2.252 -5.094 1.00 10.00 H new ATOM 0 HB VAL A 25 3.236 1.480 -3.687 1.00 10.00 H new ATOM 0 HG11 VAL A 25 4.099 3.825 -3.265 1.00 10.00 H new ATOM 0 HG12 VAL A 25 3.276 3.692 -4.838 1.00 10.00 H new ATOM 0 HG13 VAL A 25 2.439 4.439 -3.456 1.00 10.00 H new ATOM 0 HG21 VAL A 25 3.525 2.397 -1.410 1.00 10.00 H new ATOM 0 HG22 VAL A 25 1.841 2.972 -1.443 1.00 10.00 H new ATOM 0 HG23 VAL A 25 2.188 1.228 -1.514 1.00 10.00 H new ATOM 387 N CYS A 26 1.461 -0.376 -3.508 1.00 10.00 N ATOM 388 CA CYS A 26 0.904 -1.659 -3.070 1.00 10.00 C ATOM 389 C CYS A 26 1.912 -2.511 -2.292 1.00 10.00 C ATOM 390 O CYS A 26 1.966 -3.728 -2.465 1.00 10.00 O ATOM 391 CB CYS A 26 0.358 -2.480 -4.247 1.00 10.00 C ATOM 392 SG CYS A 26 -1.023 -3.516 -3.725 1.00 10.00 S ATOM 0 H CYS A 26 2.471 -0.297 -3.386 1.00 10.00 H new ATOM 0 HA CYS A 26 0.084 -1.400 -2.400 1.00 10.00 H new ATOM 0 HB2 CYS A 26 0.034 -1.810 -5.043 1.00 10.00 H new ATOM 0 HB3 CYS A 26 1.151 -3.105 -4.659 1.00 10.00 H new ATOM 397 N LYS A 27 2.781 -1.881 -1.491 1.00 10.00 N ATOM 398 CA LYS A 27 3.894 -2.591 -0.868 1.00 10.00 C ATOM 399 C LYS A 27 3.428 -3.799 -0.041 1.00 10.00 C ATOM 400 O LYS A 27 3.746 -4.927 -0.423 1.00 10.00 O ATOM 401 CB LYS A 27 4.833 -1.632 -0.110 1.00 10.00 C ATOM 402 CG LYS A 27 5.779 -2.402 0.829 1.00 10.00 C ATOM 403 CD LYS A 27 6.952 -1.540 1.312 1.00 10.00 C ATOM 404 CE LYS A 27 7.553 -2.050 2.634 1.00 10.00 C ATOM 405 NZ LYS A 27 7.733 -3.518 2.677 1.00 10.00 N ATOM 0 H LYS A 27 2.732 -0.888 -1.263 1.00 10.00 H new ATOM 0 HA LYS A 27 4.499 -3.018 -1.668 1.00 10.00 H new ATOM 0 HB2 LYS A 27 5.418 -1.053 -0.824 1.00 10.00 H new ATOM 0 HB3 LYS A 27 4.242 -0.922 0.468 1.00 10.00 H new ATOM 0 HG2 LYS A 27 5.217 -2.762 1.691 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.166 -3.280 0.311 1.00 10.00 H new ATOM 0 HD2 LYS A 27 7.727 -1.525 0.546 1.00 10.00 H new ATOM 0 HD3 LYS A 27 6.614 -0.512 1.443 1.00 10.00 H new ATOM 0 HE2 LYS A 27 8.518 -1.569 2.794 1.00 10.00 H new ATOM 0 HE3 LYS A 27 6.906 -1.748 3.458 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.320 -3.772 3.497 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.805 -3.979 2.760 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 8.201 -3.836 1.804 1.00 10.00 H new ATOM 419 N PRO A 28 2.731 -3.601 1.092 1.00 10.00 N ATOM 420 CA PRO A 28 2.412 -4.704 1.975 1.00 10.00 C ATOM 421 C PRO A 28 1.600 -5.754 1.228 1.00 10.00 C ATOM 422 O PRO A 28 1.934 -6.930 1.291 1.00 10.00 O ATOM 423 CB PRO A 28 1.676 -4.109 3.179 1.00 10.00 C ATOM 424 CG PRO A 28 1.159 -2.764 2.674 1.00 10.00 C ATOM 425 CD PRO A 28 2.183 -2.356 1.612 1.00 10.00 C ATOM 0 HA PRO A 28 3.304 -5.222 2.328 1.00 10.00 H new ATOM 0 HB2 PRO A 28 0.859 -4.753 3.505 1.00 10.00 H new ATOM 0 HB3 PRO A 28 2.343 -3.985 4.032 1.00 10.00 H new ATOM 0 HG2 PRO A 28 0.158 -2.853 2.252 1.00 10.00 H new ATOM 0 HG3 PRO A 28 1.102 -2.030 3.478 1.00 10.00 H new ATOM 0 HD2 PRO A 28 1.713 -1.774 0.819 1.00 10.00 H new ATOM 0 HD3 PRO A 28 2.967 -1.733 2.043 1.00 10.00 H new ATOM 433 N GLU A 29 0.576 -5.351 0.475 1.00 10.00 N ATOM 434 CA GLU A 29 -0.302 -6.317 -0.157 1.00 10.00 C ATOM 435 C GLU A 29 0.429 -7.098 -1.252 1.00 10.00 C ATOM 436 O GLU A 29 0.166 -8.288 -1.426 1.00 10.00 O ATOM 437 CB GLU A 29 -1.583 -5.652 -0.661 1.00 10.00 C ATOM 438 CG GLU A 29 -2.127 -4.625 0.346 1.00 10.00 C ATOM 439 CD GLU A 29 -1.733 -3.205 -0.029 1.00 10.00 C ATOM 440 OE1 GLU A 29 -0.515 -2.954 -0.161 1.00 10.00 O ATOM 441 OE2 GLU A 29 -2.684 -2.415 -0.217 1.00 10.00 O ATOM 0 H GLU A 29 0.342 -4.375 0.294 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.604 -7.046 0.595 1.00 10.00 H new ATOM 0 HB2 GLU A 29 -1.386 -5.159 -1.613 1.00 10.00 H new ATOM 0 HB3 GLU A 29 -2.339 -6.414 -0.847 1.00 10.00 H new ATOM 0 HG2 GLU A 29 -3.213 -4.701 0.392 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -1.749 -4.856 1.342 1.00 10.00 H new ATOM 448 N LYS A 30 1.364 -6.471 -1.980 1.00 10.00 N ATOM 449 CA LYS A 30 2.242 -7.234 -2.857 1.00 10.00 C ATOM 450 C LYS A 30 3.029 -8.255 -2.036 1.00 10.00 C ATOM 451 O LYS A 30 2.995 -9.441 -2.342 1.00 10.00 O ATOM 452 CB LYS A 30 3.180 -6.340 -3.684 1.00 10.00 C ATOM 453 CG LYS A 30 4.130 -7.233 -4.503 1.00 10.00 C ATOM 454 CD LYS A 30 4.609 -6.647 -5.835 1.00 10.00 C ATOM 455 CE LYS A 30 5.211 -5.244 -5.723 1.00 10.00 C ATOM 456 NZ LYS A 30 5.860 -4.861 -6.992 1.00 10.00 N ATOM 0 H LYS A 30 1.525 -5.464 -1.976 1.00 10.00 H new ATOM 0 HA LYS A 30 1.615 -7.759 -3.578 1.00 10.00 H new ATOM 0 HB2 LYS A 30 2.600 -5.699 -4.348 1.00 10.00 H new ATOM 0 HB3 LYS A 30 3.752 -5.685 -3.027 1.00 10.00 H new ATOM 0 HG2 LYS A 30 5.004 -7.459 -3.892 1.00 10.00 H new ATOM 0 HG3 LYS A 30 3.627 -8.179 -4.703 1.00 10.00 H new ATOM 0 HD2 LYS A 30 5.353 -7.316 -6.267 1.00 10.00 H new ATOM 0 HD3 LYS A 30 3.769 -6.615 -6.528 1.00 10.00 H new ATOM 0 HE2 LYS A 30 4.430 -4.525 -5.475 1.00 10.00 H new ATOM 0 HE3 LYS A 30 5.939 -5.217 -4.912 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 6.337 -3.944 -6.875 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 6.560 -5.584 -7.256 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 5.142 -4.785 -7.740 1.00 10.00 H new ATOM 470 N GLU A 31 3.738 -7.809 -1.002 1.00 10.00 N ATOM 471 CA GLU A 31 4.567 -8.702 -0.204 1.00 10.00 C ATOM 472 C GLU A 31 3.734 -9.890 0.313 1.00 10.00 C ATOM 473 O GLU A 31 4.123 -11.048 0.146 1.00 10.00 O ATOM 474 CB GLU A 31 5.264 -7.879 0.890 1.00 10.00 C ATOM 475 CG GLU A 31 6.288 -6.933 0.229 1.00 10.00 C ATOM 476 CD GLU A 31 6.790 -5.820 1.134 1.00 10.00 C ATOM 477 OE1 GLU A 31 6.063 -5.387 2.057 1.00 10.00 O ATOM 478 OE2 GLU A 31 7.905 -5.308 0.883 1.00 10.00 O ATOM 0 H GLU A 31 3.754 -6.835 -0.699 1.00 10.00 H new ATOM 0 HA GLU A 31 5.355 -9.156 -0.805 1.00 10.00 H new ATOM 0 HB2 GLU A 31 4.530 -7.304 1.454 1.00 10.00 H new ATOM 0 HB3 GLU A 31 5.764 -8.540 1.598 1.00 10.00 H new ATOM 0 HG2 GLU A 31 7.141 -7.521 -0.111 1.00 10.00 H new ATOM 0 HG3 GLU A 31 5.834 -6.488 -0.657 1.00 10.00 H new ATOM 485 N GLU A 32 2.554 -9.614 0.874 1.00 10.00 N ATOM 486 CA GLU A 32 1.569 -10.615 1.260 1.00 10.00 C ATOM 487 C GLU A 32 1.219 -11.532 0.083 1.00 10.00 C ATOM 488 O GLU A 32 1.232 -12.750 0.237 1.00 10.00 O ATOM 489 CB GLU A 32 0.305 -9.931 1.788 1.00 10.00 C ATOM 490 CG GLU A 32 0.524 -9.201 3.121 1.00 10.00 C ATOM 491 CD GLU A 32 -0.660 -8.304 3.465 1.00 10.00 C ATOM 492 OE1 GLU A 32 -1.785 -8.664 3.052 1.00 10.00 O ATOM 493 OE2 GLU A 32 -0.421 -7.279 4.139 1.00 10.00 O ATOM 0 H GLU A 32 2.254 -8.660 1.076 1.00 10.00 H new ATOM 0 HA GLU A 32 2.002 -11.229 2.049 1.00 10.00 H new ATOM 0 HB2 GLU A 32 -0.052 -9.218 1.045 1.00 10.00 H new ATOM 0 HB3 GLU A 32 -0.479 -10.678 1.915 1.00 10.00 H new ATOM 0 HG2 GLU A 32 0.673 -9.931 3.917 1.00 10.00 H new ATOM 0 HG3 GLU A 32 1.432 -8.601 3.064 1.00 10.00 H new ATOM 500 N ARG A 33 0.907 -10.969 -1.088 1.00 10.00 N ATOM 501 CA ARG A 33 0.624 -11.741 -2.291 1.00 10.00 C ATOM 502 C ARG A 33 1.768 -12.716 -2.582 1.00 10.00 C ATOM 503 O ARG A 33 1.554 -13.923 -2.618 1.00 10.00 O ATOM 504 CB ARG A 33 0.351 -10.803 -3.479 1.00 10.00 C ATOM 505 CG ARG A 33 0.078 -11.548 -4.793 1.00 10.00 C ATOM 506 CD ARG A 33 0.518 -10.712 -6.002 1.00 10.00 C ATOM 507 NE ARG A 33 1.984 -10.499 -6.065 1.00 10.00 N ATOM 508 CZ ARG A 33 2.634 -10.026 -7.141 1.00 10.00 C ATOM 509 NH1 ARG A 33 1.952 -9.699 -8.242 1.00 10.00 N ATOM 510 NH2 ARG A 33 3.958 -9.876 -7.115 1.00 10.00 N ATOM 0 H ARG A 33 0.845 -9.960 -1.224 1.00 10.00 H new ATOM 0 HA ARG A 33 -0.276 -12.334 -2.130 1.00 10.00 H new ATOM 0 HB2 ARG A 33 -0.505 -10.170 -3.244 1.00 10.00 H new ATOM 0 HB3 ARG A 33 1.207 -10.143 -3.615 1.00 10.00 H new ATOM 0 HG2 ARG A 33 0.609 -12.500 -4.792 1.00 10.00 H new ATOM 0 HG3 ARG A 33 -0.985 -11.776 -4.872 1.00 10.00 H new ATOM 0 HD2 ARG A 33 0.190 -11.207 -6.916 1.00 10.00 H new ATOM 0 HD3 ARG A 33 0.018 -9.744 -5.967 1.00 10.00 H new ATOM 0 HE ARG A 33 2.535 -10.727 -5.237 1.00 10.00 H new ATOM 0 HH11 ARG A 33 0.938 -9.809 -8.265 1.00 10.00 H new ATOM 0 HH12 ARG A 33 2.445 -9.340 -9.059 1.00 10.00 H new ATOM 0 HH21 ARG A 33 4.483 -10.121 -6.275 1.00 10.00 H new ATOM 0 HH22 ARG A 33 4.447 -9.516 -7.935 1.00 10.00 H new ATOM 524 N ASP A 34 2.985 -12.231 -2.821 1.00 10.00 N ATOM 525 CA ASP A 34 4.069 -13.132 -3.212 1.00 10.00 C ATOM 526 C ASP A 34 4.330 -14.156 -2.104 1.00 10.00 C ATOM 527 O ASP A 34 4.602 -15.321 -2.384 1.00 10.00 O ATOM 528 CB ASP A 34 5.358 -12.421 -3.674 1.00 10.00 C ATOM 529 CG ASP A 34 5.219 -10.926 -3.901 1.00 10.00 C ATOM 530 OD1 ASP A 34 4.295 -10.566 -4.663 1.00 10.00 O ATOM 531 OD2 ASP A 34 6.047 -10.170 -3.347 1.00 10.00 O ATOM 0 H ASP A 34 3.242 -11.246 -2.754 1.00 10.00 H new ATOM 0 HA ASP A 34 3.728 -13.658 -4.104 1.00 10.00 H new ATOM 0 HB2 ASP A 34 6.135 -12.590 -2.929 1.00 10.00 H new ATOM 0 HB3 ASP A 34 5.699 -12.884 -4.600 1.00 10.00 H new ATOM 536 N THR A 35 4.181 -13.743 -0.843 1.00 10.00 N ATOM 537 CA THR A 35 4.221 -14.660 0.288 1.00 10.00 C ATOM 538 C THR A 35 3.138 -15.750 0.171 1.00 10.00 C ATOM 539 O THR A 35 3.440 -16.932 0.336 1.00 10.00 O ATOM 540 CB THR A 35 4.158 -13.855 1.596 1.00 10.00 C ATOM 541 OG1 THR A 35 5.271 -12.988 1.654 1.00 10.00 O ATOM 542 CG2 THR A 35 4.203 -14.744 2.836 1.00 10.00 C ATOM 0 H THR A 35 4.030 -12.768 -0.583 1.00 10.00 H new ATOM 0 HA THR A 35 5.165 -15.206 0.290 1.00 10.00 H new ATOM 0 HB THR A 35 3.212 -13.313 1.593 1.00 10.00 H new ATOM 0 HG1 THR A 35 5.071 -12.165 1.161 1.00 10.00 H new ATOM 0 HG21 THR A 35 4.155 -14.123 3.731 1.00 10.00 H new ATOM 0 HG22 THR A 35 3.355 -15.429 2.824 1.00 10.00 H new ATOM 0 HG23 THR A 35 5.131 -15.316 2.840 1.00 10.00 H new ATOM 550 N CYS A 36 1.882 -15.394 -0.130 1.00 10.00 N ATOM 551 CA CYS A 36 0.808 -16.374 -0.310 1.00 10.00 C ATOM 552 C CYS A 36 1.160 -17.325 -1.453 1.00 10.00 C ATOM 553 O CYS A 36 1.010 -18.540 -1.309 1.00 10.00 O ATOM 554 CB CYS A 36 -0.579 -15.718 -0.483 1.00 10.00 C ATOM 555 SG CYS A 36 -1.097 -15.232 -2.157 1.00 10.00 S ATOM 0 H CYS A 36 1.586 -14.426 -0.254 1.00 10.00 H new ATOM 0 HA CYS A 36 0.727 -16.960 0.606 1.00 10.00 H new ATOM 0 HB2 CYS A 36 -1.325 -16.409 -0.091 1.00 10.00 H new ATOM 0 HB3 CYS A 36 -0.607 -14.828 0.146 1.00 10.00 H new ATOM 560 N ILE A 37 1.656 -16.772 -2.568 1.00 10.00 N ATOM 561 CA ILE A 37 2.099 -17.540 -3.723 1.00 10.00 C ATOM 562 C ILE A 37 3.120 -18.581 -3.274 1.00 10.00 C ATOM 563 O ILE A 37 2.894 -19.777 -3.466 1.00 10.00 O ATOM 564 CB ILE A 37 2.589 -16.620 -4.861 1.00 10.00 C ATOM 565 CG1 ILE A 37 1.380 -15.869 -5.453 1.00 10.00 C ATOM 566 CG2 ILE A 37 3.312 -17.420 -5.958 1.00 10.00 C ATOM 567 CD1 ILE A 37 1.757 -14.813 -6.498 1.00 10.00 C ATOM 0 H ILE A 37 1.759 -15.764 -2.687 1.00 10.00 H new ATOM 0 HA ILE A 37 1.258 -18.084 -4.154 1.00 10.00 H new ATOM 0 HB ILE A 37 3.305 -15.907 -4.453 1.00 10.00 H new ATOM 0 HG12 ILE A 37 0.703 -16.592 -5.909 1.00 10.00 H new ATOM 0 HG13 ILE A 37 0.833 -15.386 -4.644 1.00 10.00 H new ATOM 0 HG21 ILE A 37 3.644 -16.742 -6.744 1.00 10.00 H new ATOM 0 HG22 ILE A 37 4.175 -17.928 -5.529 1.00 10.00 H new ATOM 0 HG23 ILE A 37 2.630 -18.158 -6.380 1.00 10.00 H new ATOM 0 HD11 ILE A 37 0.853 -14.328 -6.868 1.00 10.00 H new ATOM 0 HD12 ILE A 37 2.409 -14.067 -6.043 1.00 10.00 H new ATOM 0 HD13 ILE A 37 2.277 -15.292 -7.328 1.00 10.00 H new ATOM 579 N LEU A 38 4.211 -18.108 -2.665 1.00 10.00 N ATOM 580 CA LEU A 38 5.297 -18.921 -2.139 1.00 10.00 C ATOM 581 C LEU A 38 4.743 -20.035 -1.255 1.00 10.00 C ATOM 582 O LEU A 38 5.067 -21.201 -1.468 1.00 10.00 O ATOM 583 CB LEU A 38 6.289 -18.004 -1.400 1.00 10.00 C ATOM 584 CG LEU A 38 7.543 -18.660 -0.789 1.00 10.00 C ATOM 585 CD1 LEU A 38 7.274 -19.394 0.532 1.00 10.00 C ATOM 586 CD2 LEU A 38 8.269 -19.576 -1.779 1.00 10.00 C ATOM 0 H LEU A 38 4.362 -17.109 -2.522 1.00 10.00 H new ATOM 0 HA LEU A 38 5.837 -19.413 -2.948 1.00 10.00 H new ATOM 0 HB2 LEU A 38 6.618 -17.233 -2.097 1.00 10.00 H new ATOM 0 HB3 LEU A 38 5.749 -17.500 -0.599 1.00 10.00 H new ATOM 0 HG LEU A 38 8.204 -17.825 -0.555 1.00 10.00 H new ATOM 0 HD11 LEU A 38 8.202 -19.830 0.902 1.00 10.00 H new ATOM 0 HD12 LEU A 38 6.886 -18.689 1.267 1.00 10.00 H new ATOM 0 HD13 LEU A 38 6.543 -20.185 0.366 1.00 10.00 H new ATOM 0 HD21 LEU A 38 9.144 -20.012 -1.297 1.00 10.00 H new ATOM 0 HD22 LEU A 38 7.597 -20.372 -2.098 1.00 10.00 H new ATOM 0 HD23 LEU A 38 8.584 -18.997 -2.647 1.00 10.00 H new ATOM 598 N PHE A 39 3.918 -19.686 -0.263 1.00 10.00 N ATOM 599 CA PHE A 39 3.372 -20.672 0.656 1.00 10.00 C ATOM 600 C PHE A 39 2.530 -21.722 -0.068 1.00 10.00 C ATOM 601 O PHE A 39 2.871 -22.901 -0.035 1.00 10.00 O ATOM 602 CB PHE A 39 2.556 -20.004 1.772 1.00 10.00 C ATOM 603 CG PHE A 39 3.368 -19.515 2.956 1.00 10.00 C ATOM 604 CD1 PHE A 39 4.092 -20.437 3.737 1.00 10.00 C ATOM 605 CD2 PHE A 39 3.277 -18.175 3.372 1.00 10.00 C ATOM 606 CE1 PHE A 39 4.763 -20.010 4.895 1.00 10.00 C ATOM 607 CE2 PHE A 39 3.939 -17.750 4.538 1.00 10.00 C ATOM 608 CZ PHE A 39 4.691 -18.665 5.294 1.00 10.00 C ATOM 0 H PHE A 39 3.618 -18.728 -0.081 1.00 10.00 H new ATOM 0 HA PHE A 39 4.220 -21.183 1.111 1.00 10.00 H new ATOM 0 HB2 PHE A 39 2.014 -19.158 1.349 1.00 10.00 H new ATOM 0 HB3 PHE A 39 1.810 -20.714 2.130 1.00 10.00 H new ATOM 0 HD1 PHE A 39 4.131 -21.476 3.445 1.00 10.00 H new ATOM 0 HD2 PHE A 39 2.697 -17.470 2.795 1.00 10.00 H new ATOM 0 HE1 PHE A 39 5.335 -20.716 5.479 1.00 10.00 H new ATOM 0 HE2 PHE A 39 3.869 -16.719 4.853 1.00 10.00 H new ATOM 0 HZ PHE A 39 5.213 -18.335 6.180 1.00 10.00 H new ATOM 618 N ASN A 40 1.387 -21.326 -0.638 1.00 10.00 N ATOM 619 CA ASN A 40 0.391 -22.285 -1.121 1.00 10.00 C ATOM 620 C ASN A 40 -0.510 -21.631 -2.167 1.00 10.00 C ATOM 621 O ASN A 40 -1.732 -21.759 -2.088 1.00 10.00 O ATOM 622 CB ASN A 40 -0.472 -22.821 0.044 1.00 10.00 C ATOM 623 CG ASN A 40 0.261 -23.759 0.998 1.00 10.00 C ATOM 624 OD1 ASN A 40 0.521 -24.910 0.668 1.00 10.00 O ATOM 625 ND2 ASN A 40 0.557 -23.296 2.212 1.00 10.00 N ATOM 0 H ASN A 40 1.130 -20.349 -0.776 1.00 10.00 H new ATOM 0 HA ASN A 40 0.923 -23.122 -1.574 1.00 10.00 H new ATOM 0 HB2 ASN A 40 -0.858 -21.975 0.612 1.00 10.00 H new ATOM 0 HB3 ASN A 40 -1.333 -23.346 -0.370 1.00 10.00 H new ATOM 0 HD21 ASN A 40 1.011 -23.904 2.893 1.00 10.00 H new ATOM 0 HD22 ASN A 40 0.329 -22.333 2.460 1.00 10.00 H new ATOM 632 N GLY A 41 0.066 -20.922 -3.140 1.00 10.00 N ATOM 633 CA GLY A 41 -0.729 -20.225 -4.139 1.00 10.00 C ATOM 634 C GLY A 41 -0.458 -20.716 -5.549 1.00 10.00 C ATOM 635 O GLY A 41 -1.049 -21.707 -5.978 1.00 10.00 O ATOM 0 H GLY A 41 1.074 -20.819 -3.253 1.00 10.00 H new ATOM 0 HA2 GLY A 41 -1.787 -20.354 -3.911 1.00 10.00 H new ATOM 0 HA3 GLY A 41 -0.519 -19.157 -4.084 1.00 10.00 H new ATOM 639 N GLN A 42 0.375 -19.965 -6.280 1.00 10.00 N ATOM 640 CA GLN A 42 0.541 -20.033 -7.727 1.00 10.00 C ATOM 641 C GLN A 42 -0.796 -19.743 -8.423 1.00 10.00 C ATOM 642 O GLN A 42 -0.992 -18.660 -8.967 1.00 10.00 O ATOM 643 CB GLN A 42 1.185 -21.361 -8.161 1.00 10.00 C ATOM 644 CG GLN A 42 2.545 -21.573 -7.480 1.00 10.00 C ATOM 645 CD GLN A 42 3.196 -22.879 -7.922 1.00 10.00 C ATOM 646 OE1 GLN A 42 3.355 -23.803 -7.133 1.00 10.00 O ATOM 647 NE2 GLN A 42 3.582 -22.973 -9.192 1.00 10.00 N ATOM 0 H GLN A 42 0.978 -19.262 -5.853 1.00 10.00 H new ATOM 0 HA GLN A 42 1.240 -19.259 -8.044 1.00 10.00 H new ATOM 0 HB2 GLN A 42 0.519 -22.188 -7.913 1.00 10.00 H new ATOM 0 HB3 GLN A 42 1.313 -21.368 -9.243 1.00 10.00 H new ATOM 0 HG2 GLN A 42 3.205 -20.738 -7.716 1.00 10.00 H new ATOM 0 HG3 GLN A 42 2.414 -21.579 -6.398 1.00 10.00 H new ATOM 0 HE21 GLN A 42 3.438 -22.189 -9.828 1.00 10.00 H new ATOM 0 HE22 GLN A 42 4.022 -23.829 -9.529 1.00 10.00 H new ATOM 656 N ASP A 43 -1.709 -20.709 -8.356 1.00 10.00 N ATOM 657 CA ASP A 43 -3.088 -20.640 -8.813 1.00 10.00 C ATOM 658 C ASP A 43 -4.035 -20.282 -7.659 1.00 10.00 C ATOM 659 O ASP A 43 -5.014 -19.568 -7.861 1.00 10.00 O ATOM 660 CB ASP A 43 -3.446 -22.021 -9.381 1.00 10.00 C ATOM 661 CG ASP A 43 -4.942 -22.176 -9.612 1.00 10.00 C ATOM 662 OD1 ASP A 43 -5.384 -21.824 -10.726 1.00 10.00 O ATOM 663 OD2 ASP A 43 -5.604 -22.663 -8.670 1.00 10.00 O ATOM 0 H ASP A 43 -1.487 -21.620 -7.954 1.00 10.00 H new ATOM 0 HA ASP A 43 -3.195 -19.863 -9.570 1.00 10.00 H new ATOM 0 HB2 ASP A 43 -2.917 -22.174 -10.322 1.00 10.00 H new ATOM 0 HB3 ASP A 43 -3.104 -22.795 -8.694 1.00 10.00 H new ATOM 668 N SER A 44 -3.766 -20.834 -6.469 1.00 10.00 N ATOM 669 CA SER A 44 -4.830 -21.292 -5.583 1.00 10.00 C ATOM 670 C SER A 44 -5.888 -20.254 -5.190 1.00 10.00 C ATOM 671 O SER A 44 -5.626 -19.057 -5.037 1.00 10.00 O ATOM 672 CB SER A 44 -4.259 -21.984 -4.332 1.00 10.00 C ATOM 673 OG SER A 44 -4.139 -21.085 -3.242 1.00 10.00 O ATOM 0 H SER A 44 -2.824 -20.971 -6.104 1.00 10.00 H new ATOM 0 HA SER A 44 -5.375 -22.011 -6.195 1.00 10.00 H new ATOM 0 HB2 SER A 44 -4.906 -22.814 -4.049 1.00 10.00 H new ATOM 0 HB3 SER A 44 -3.281 -22.406 -4.564 1.00 10.00 H new ATOM 0 HG SER A 44 -3.315 -21.278 -2.748 1.00 10.00 H new ATOM 679 N GLU A 45 -7.072 -20.793 -4.880 1.00 10.00 N ATOM 680 CA GLU A 45 -8.182 -20.123 -4.218 1.00 10.00 C ATOM 681 C GLU A 45 -7.705 -19.263 -3.036 1.00 10.00 C ATOM 682 O GLU A 45 -8.301 -18.230 -2.749 1.00 10.00 O ATOM 683 CB GLU A 45 -9.195 -21.192 -3.752 1.00 10.00 C ATOM 684 CG GLU A 45 -10.664 -20.767 -3.892 1.00 10.00 C ATOM 685 CD GLU A 45 -10.998 -19.512 -3.104 1.00 10.00 C ATOM 686 OE1 GLU A 45 -10.838 -19.511 -1.865 1.00 10.00 O ATOM 687 OE2 GLU A 45 -11.335 -18.494 -3.745 1.00 10.00 O ATOM 0 H GLU A 45 -7.287 -21.765 -5.100 1.00 10.00 H new ATOM 0 HA GLU A 45 -8.660 -19.443 -4.924 1.00 10.00 H new ATOM 0 HB2 GLU A 45 -9.035 -22.104 -4.328 1.00 10.00 H new ATOM 0 HB3 GLU A 45 -8.996 -21.435 -2.708 1.00 10.00 H new ATOM 0 HG2 GLU A 45 -10.889 -20.598 -4.945 1.00 10.00 H new ATOM 0 HG3 GLU A 45 -11.305 -21.582 -3.556 1.00 10.00 H new ATOM 694 N LYS A 46 -6.639 -19.662 -2.331 1.00 10.00 N ATOM 695 CA LYS A 46 -6.200 -18.942 -1.144 1.00 10.00 C ATOM 696 C LYS A 46 -5.429 -17.658 -1.482 1.00 10.00 C ATOM 697 O LYS A 46 -5.148 -16.870 -0.580 1.00 10.00 O ATOM 698 CB LYS A 46 -5.378 -19.881 -0.246 1.00 10.00 C ATOM 699 CG LYS A 46 -5.467 -19.463 1.229 1.00 10.00 C ATOM 700 CD LYS A 46 -6.788 -19.931 1.863 1.00 10.00 C ATOM 701 CE LYS A 46 -7.242 -18.987 2.986 1.00 10.00 C ATOM 702 NZ LYS A 46 -7.984 -17.814 2.472 1.00 10.00 N ATOM 0 H LYS A 46 -6.071 -20.476 -2.566 1.00 10.00 H new ATOM 0 HA LYS A 46 -7.087 -18.618 -0.600 1.00 10.00 H new ATOM 0 HB2 LYS A 46 -5.739 -20.903 -0.359 1.00 10.00 H new ATOM 0 HB3 LYS A 46 -4.336 -19.874 -0.566 1.00 10.00 H new ATOM 0 HG2 LYS A 46 -4.627 -19.885 1.780 1.00 10.00 H new ATOM 0 HG3 LYS A 46 -5.387 -18.379 1.308 1.00 10.00 H new ATOM 0 HD2 LYS A 46 -7.561 -19.984 1.097 1.00 10.00 H new ATOM 0 HD3 LYS A 46 -6.664 -20.938 2.261 1.00 10.00 H new ATOM 0 HE2 LYS A 46 -7.874 -19.535 3.685 1.00 10.00 H new ATOM 0 HE3 LYS A 46 -6.370 -18.646 3.545 1.00 10.00 H new ATOM 0 HZ1 LYS A 46 -8.033 -17.083 3.210 1.00 10.00 H new ATOM 0 HZ2 LYS A 46 -7.494 -17.432 1.638 1.00 10.00 H new ATOM 0 HZ3 LYS A 46 -8.947 -18.102 2.206 1.00 10.00 H new ATOM 716 N CYS A 47 -5.041 -17.453 -2.746 1.00 10.00 N ATOM 717 CA CYS A 47 -4.277 -16.275 -3.144 1.00 10.00 C ATOM 718 C CYS A 47 -5.142 -15.206 -3.798 1.00 10.00 C ATOM 719 O CYS A 47 -4.790 -14.026 -3.735 1.00 10.00 O ATOM 720 CB CYS A 47 -3.105 -16.656 -4.046 1.00 10.00 C ATOM 721 SG CYS A 47 -1.575 -16.998 -3.152 1.00 10.00 S ATOM 0 H CYS A 47 -5.247 -18.095 -3.512 1.00 10.00 H new ATOM 0 HA CYS A 47 -3.879 -15.840 -2.227 1.00 10.00 H new ATOM 0 HB2 CYS A 47 -3.378 -17.536 -4.628 1.00 10.00 H new ATOM 0 HB3 CYS A 47 -2.927 -15.847 -4.755 1.00 10.00 H new ATOM 726 N LYS A 48 -6.249 -15.600 -4.436 1.00 10.00 N ATOM 727 CA LYS A 48 -7.143 -14.678 -5.134 1.00 10.00 C ATOM 728 C LYS A 48 -7.437 -13.416 -4.314 1.00 10.00 C ATOM 729 O LYS A 48 -7.373 -12.327 -4.870 1.00 10.00 O ATOM 730 CB LYS A 48 -8.411 -15.385 -5.641 1.00 10.00 C ATOM 731 CG LYS A 48 -9.233 -15.983 -4.499 1.00 10.00 C ATOM 732 CD LYS A 48 -10.439 -15.133 -4.067 1.00 10.00 C ATOM 733 CE LYS A 48 -10.866 -15.371 -2.604 1.00 10.00 C ATOM 734 NZ LYS A 48 -10.401 -16.666 -2.065 1.00 10.00 N ATOM 0 H LYS A 48 -6.549 -16.574 -4.481 1.00 10.00 H new ATOM 0 HA LYS A 48 -6.616 -14.330 -6.022 1.00 10.00 H new ATOM 0 HB2 LYS A 48 -9.024 -14.674 -6.195 1.00 10.00 H new ATOM 0 HB3 LYS A 48 -8.131 -16.175 -6.338 1.00 10.00 H new ATOM 0 HG2 LYS A 48 -9.589 -16.968 -4.802 1.00 10.00 H new ATOM 0 HG3 LYS A 48 -8.581 -16.130 -3.638 1.00 10.00 H new ATOM 0 HD2 LYS A 48 -10.197 -14.079 -4.200 1.00 10.00 H new ATOM 0 HD3 LYS A 48 -11.281 -15.351 -4.723 1.00 10.00 H new ATOM 0 HE2 LYS A 48 -10.476 -14.565 -1.983 1.00 10.00 H new ATOM 0 HE3 LYS A 48 -11.953 -15.327 -2.538 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 -11.019 -16.957 -1.281 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 -10.432 -17.385 -2.815 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 -9.425 -16.568 -1.719 1.00 10.00 H new ATOM 748 N GLU A 49 -7.703 -13.523 -3.005 1.00 10.00 N ATOM 749 CA GLU A 49 -7.890 -12.357 -2.148 1.00 10.00 C ATOM 750 C GLU A 49 -6.755 -11.334 -2.322 1.00 10.00 C ATOM 751 O GLU A 49 -6.997 -10.150 -2.567 1.00 10.00 O ATOM 752 CB GLU A 49 -8.073 -12.780 -0.675 1.00 10.00 C ATOM 753 CG GLU A 49 -7.131 -13.885 -0.156 1.00 10.00 C ATOM 754 CD GLU A 49 -7.729 -15.280 -0.257 1.00 10.00 C ATOM 755 OE1 GLU A 49 -8.104 -15.655 -1.386 1.00 10.00 O ATOM 756 OE2 GLU A 49 -7.846 -15.954 0.791 1.00 10.00 O ATOM 0 H GLU A 49 -7.793 -14.415 -2.519 1.00 10.00 H new ATOM 0 HA GLU A 49 -8.807 -11.857 -2.459 1.00 10.00 H new ATOM 0 HB2 GLU A 49 -7.943 -11.898 -0.048 1.00 10.00 H new ATOM 0 HB3 GLU A 49 -9.101 -13.117 -0.542 1.00 10.00 H new ATOM 0 HG2 GLU A 49 -6.200 -13.854 -0.722 1.00 10.00 H new ATOM 0 HG3 GLU A 49 -6.879 -13.679 0.884 1.00 10.00 H new ATOM 763 N PHE A 50 -5.508 -11.797 -2.219 1.00 10.00 N ATOM 764 CA PHE A 50 -4.338 -10.944 -2.322 1.00 10.00 C ATOM 765 C PHE A 50 -4.150 -10.473 -3.761 1.00 10.00 C ATOM 766 O PHE A 50 -3.757 -9.333 -3.982 1.00 10.00 O ATOM 767 CB PHE A 50 -3.091 -11.670 -1.808 1.00 10.00 C ATOM 768 CG PHE A 50 -3.182 -12.118 -0.362 1.00 10.00 C ATOM 769 CD1 PHE A 50 -2.992 -11.189 0.678 1.00 10.00 C ATOM 770 CD2 PHE A 50 -3.491 -13.454 -0.051 1.00 10.00 C ATOM 771 CE1 PHE A 50 -3.115 -11.596 2.018 1.00 10.00 C ATOM 772 CE2 PHE A 50 -3.617 -13.862 1.287 1.00 10.00 C ATOM 773 CZ PHE A 50 -3.423 -12.933 2.324 1.00 10.00 C ATOM 0 H PHE A 50 -5.288 -12.780 -2.061 1.00 10.00 H new ATOM 0 HA PHE A 50 -4.491 -10.065 -1.696 1.00 10.00 H new ATOM 0 HB2 PHE A 50 -2.908 -12.542 -2.436 1.00 10.00 H new ATOM 0 HB3 PHE A 50 -2.230 -11.011 -1.919 1.00 10.00 H new ATOM 0 HD1 PHE A 50 -2.751 -10.162 0.446 1.00 10.00 H new ATOM 0 HD2 PHE A 50 -3.632 -14.171 -0.846 1.00 10.00 H new ATOM 0 HE1 PHE A 50 -2.973 -10.880 2.814 1.00 10.00 H new ATOM 0 HE2 PHE A 50 -3.863 -14.888 1.519 1.00 10.00 H new ATOM 0 HZ PHE A 50 -3.510 -13.246 3.354 1.00 10.00 H new ATOM 783 N ILE A 51 -4.421 -11.331 -4.748 1.00 10.00 N ATOM 784 CA ILE A 51 -4.330 -10.945 -6.155 1.00 10.00 C ATOM 785 C ILE A 51 -5.310 -9.800 -6.452 1.00 10.00 C ATOM 786 O ILE A 51 -4.939 -8.816 -7.091 1.00 10.00 O ATOM 787 CB ILE A 51 -4.532 -12.167 -7.072 1.00 10.00 C ATOM 788 CG1 ILE A 51 -3.392 -13.182 -6.841 1.00 10.00 C ATOM 789 CG2 ILE A 51 -4.576 -11.743 -8.549 1.00 10.00 C ATOM 790 CD1 ILE A 51 -3.628 -14.533 -7.525 1.00 10.00 C ATOM 0 H ILE A 51 -4.706 -12.299 -4.596 1.00 10.00 H new ATOM 0 HA ILE A 51 -3.328 -10.570 -6.365 1.00 10.00 H new ATOM 0 HB ILE A 51 -5.486 -12.634 -6.827 1.00 10.00 H new ATOM 0 HG12 ILE A 51 -2.458 -12.757 -7.207 1.00 10.00 H new ATOM 0 HG13 ILE A 51 -3.271 -13.342 -5.770 1.00 10.00 H new ATOM 0 HG21 ILE A 51 -4.719 -12.623 -9.176 1.00 10.00 H new ATOM 0 HG22 ILE A 51 -5.402 -11.049 -8.704 1.00 10.00 H new ATOM 0 HG23 ILE A 51 -3.638 -11.256 -8.816 1.00 10.00 H new ATOM 0 HD11 ILE A 51 -2.788 -15.196 -7.320 1.00 10.00 H new ATOM 0 HD12 ILE A 51 -4.545 -14.980 -7.141 1.00 10.00 H new ATOM 0 HD13 ILE A 51 -3.719 -14.385 -8.601 1.00 10.00 H new ATOM 802 N GLU A 52 -6.554 -9.902 -5.979 1.00 10.00 N ATOM 803 CA GLU A 52 -7.521 -8.829 -6.123 1.00 10.00 C ATOM 804 C GLU A 52 -7.022 -7.579 -5.399 1.00 10.00 C ATOM 805 O GLU A 52 -6.924 -6.517 -6.016 1.00 10.00 O ATOM 806 CB GLU A 52 -8.916 -9.278 -5.664 1.00 10.00 C ATOM 807 CG GLU A 52 -9.501 -10.380 -6.566 1.00 10.00 C ATOM 808 CD GLU A 52 -9.559 -9.960 -8.025 1.00 10.00 C ATOM 809 OE1 GLU A 52 -10.204 -8.931 -8.327 1.00 10.00 O ATOM 810 OE2 GLU A 52 -8.877 -10.587 -8.867 1.00 10.00 O ATOM 0 H GLU A 52 -6.910 -10.724 -5.492 1.00 10.00 H new ATOM 0 HA GLU A 52 -7.623 -8.571 -7.177 1.00 10.00 H new ATOM 0 HB2 GLU A 52 -8.859 -9.643 -4.639 1.00 10.00 H new ATOM 0 HB3 GLU A 52 -9.588 -8.420 -5.660 1.00 10.00 H new ATOM 0 HG2 GLU A 52 -8.896 -11.282 -6.474 1.00 10.00 H new ATOM 0 HG3 GLU A 52 -10.504 -10.633 -6.223 1.00 10.00 H new ATOM 817 N LYS A 53 -6.649 -7.701 -4.120 1.00 10.00 N ATOM 818 CA LYS A 53 -6.106 -6.565 -3.383 1.00 10.00 C ATOM 819 C LYS A 53 -4.931 -5.926 -4.137 1.00 10.00 C ATOM 820 O LYS A 53 -4.777 -4.709 -4.138 1.00 10.00 O ATOM 821 CB LYS A 53 -5.718 -6.978 -1.954 1.00 10.00 C ATOM 822 CG LYS A 53 -5.260 -5.796 -1.080 1.00 10.00 C ATOM 823 CD LYS A 53 -6.410 -4.839 -0.726 1.00 10.00 C ATOM 824 CE LYS A 53 -5.956 -3.516 -0.089 1.00 10.00 C ATOM 825 NZ LYS A 53 -5.111 -2.697 -0.986 1.00 10.00 N ATOM 0 H LYS A 53 -6.714 -8.566 -3.583 1.00 10.00 H new ATOM 0 HA LYS A 53 -6.883 -5.805 -3.303 1.00 10.00 H new ATOM 0 HB2 LYS A 53 -6.571 -7.462 -1.479 1.00 10.00 H new ATOM 0 HB3 LYS A 53 -4.918 -7.717 -2.002 1.00 10.00 H new ATOM 0 HG2 LYS A 53 -4.816 -6.179 -0.161 1.00 10.00 H new ATOM 0 HG3 LYS A 53 -4.481 -5.243 -1.604 1.00 10.00 H new ATOM 0 HD2 LYS A 53 -6.975 -4.618 -1.631 1.00 10.00 H new ATOM 0 HD3 LYS A 53 -7.090 -5.344 -0.041 1.00 10.00 H new ATOM 0 HE2 LYS A 53 -6.834 -2.939 0.199 1.00 10.00 H new ATOM 0 HE3 LYS A 53 -5.402 -3.731 0.825 1.00 10.00 H new ATOM 0 HZ1 LYS A 53 -5.235 -1.690 -0.757 1.00 10.00 H new ATOM 0 HZ2 LYS A 53 -4.113 -2.960 -0.859 1.00 10.00 H new ATOM 0 HZ3 LYS A 53 -5.390 -2.864 -1.974 1.00 10.00 H new ATOM 839 N TYR A 54 -4.101 -6.738 -4.794 1.00 10.00 N ATOM 840 CA TYR A 54 -2.968 -6.242 -5.551 1.00 10.00 C ATOM 841 C TYR A 54 -3.397 -5.309 -6.689 1.00 10.00 C ATOM 842 O TYR A 54 -2.666 -4.370 -6.991 1.00 10.00 O ATOM 843 CB TYR A 54 -2.086 -7.402 -6.040 1.00 10.00 C ATOM 844 CG TYR A 54 -0.822 -6.972 -6.762 1.00 10.00 C ATOM 845 CD1 TYR A 54 0.111 -6.152 -6.104 1.00 10.00 C ATOM 846 CD2 TYR A 54 -0.595 -7.349 -8.101 1.00 10.00 C ATOM 847 CE1 TYR A 54 1.224 -5.657 -6.799 1.00 10.00 C ATOM 848 CE2 TYR A 54 0.569 -6.922 -8.768 1.00 10.00 C ATOM 849 CZ TYR A 54 1.468 -6.056 -8.120 1.00 10.00 C ATOM 850 OH TYR A 54 2.624 -5.656 -8.723 1.00 10.00 O ATOM 0 H TYR A 54 -4.201 -7.753 -4.812 1.00 10.00 H new ATOM 0 HA TYR A 54 -2.361 -5.634 -4.880 1.00 10.00 H new ATOM 0 HB2 TYR A 54 -1.809 -8.017 -5.184 1.00 10.00 H new ATOM 0 HB3 TYR A 54 -2.674 -8.032 -6.707 1.00 10.00 H new ATOM 0 HD1 TYR A 54 -0.029 -5.903 -5.063 1.00 10.00 H new ATOM 0 HD2 TYR A 54 -1.316 -7.967 -8.616 1.00 10.00 H new ATOM 0 HE1 TYR A 54 1.896 -4.965 -6.314 1.00 10.00 H new ATOM 0 HE2 TYR A 54 0.771 -7.258 -9.774 1.00 10.00 H new ATOM 0 HH TYR A 54 2.656 -6.009 -9.636 1.00 10.00 H new ATOM 860 N LYS A 55 -4.543 -5.540 -7.345 1.00 10.00 N ATOM 861 CA LYS A 55 -4.916 -4.707 -8.488 1.00 10.00 C ATOM 862 C LYS A 55 -5.474 -3.350 -8.044 1.00 10.00 C ATOM 863 O LYS A 55 -5.031 -2.315 -8.546 1.00 10.00 O ATOM 864 CB LYS A 55 -5.802 -5.456 -9.503 1.00 10.00 C ATOM 865 CG LYS A 55 -7.309 -5.448 -9.207 1.00 10.00 C ATOM 866 CD LYS A 55 -8.121 -6.250 -10.233 1.00 10.00 C ATOM 867 CE LYS A 55 -7.700 -7.727 -10.261 1.00 10.00 C ATOM 868 NZ LYS A 55 -8.845 -8.625 -10.503 1.00 10.00 N ATOM 0 H LYS A 55 -5.209 -6.276 -7.110 1.00 10.00 H new ATOM 0 HA LYS A 55 -4.003 -4.480 -9.039 1.00 10.00 H new ATOM 0 HB2 LYS A 55 -5.642 -5.019 -10.489 1.00 10.00 H new ATOM 0 HB3 LYS A 55 -5.466 -6.492 -9.555 1.00 10.00 H new ATOM 0 HG2 LYS A 55 -7.481 -5.859 -8.212 1.00 10.00 H new ATOM 0 HG3 LYS A 55 -7.666 -4.418 -9.192 1.00 10.00 H new ATOM 0 HD2 LYS A 55 -9.182 -6.178 -9.994 1.00 10.00 H new ATOM 0 HD3 LYS A 55 -7.988 -5.815 -11.223 1.00 10.00 H new ATOM 0 HE2 LYS A 55 -6.952 -7.876 -11.040 1.00 10.00 H new ATOM 0 HE3 LYS A 55 -7.229 -7.988 -9.313 1.00 10.00 H new ATOM 0 HZ1 LYS A 55 -8.577 -9.601 -10.266 1.00 10.00 H new ATOM 0 HZ2 LYS A 55 -9.647 -8.332 -9.909 1.00 10.00 H new ATOM 0 HZ3 LYS A 55 -9.119 -8.575 -11.505 1.00 10.00 H new ATOM 882 N GLU A 56 -6.455 -3.351 -7.129 1.00 10.00 N ATOM 883 CA GLU A 56 -7.200 -2.145 -6.765 1.00 10.00 C ATOM 884 C GLU A 56 -6.254 -1.013 -6.353 1.00 10.00 C ATOM 885 O GLU A 56 -6.286 0.055 -6.958 1.00 10.00 O ATOM 886 CB GLU A 56 -8.351 -2.440 -5.781 1.00 10.00 C ATOM 887 CG GLU A 56 -8.061 -3.372 -4.592 1.00 10.00 C ATOM 888 CD GLU A 56 -7.561 -2.650 -3.351 1.00 10.00 C ATOM 889 OE1 GLU A 56 -6.336 -2.429 -3.272 1.00 10.00 O ATOM 890 OE2 GLU A 56 -8.384 -2.380 -2.454 1.00 10.00 O ATOM 0 H GLU A 56 -6.750 -4.187 -6.624 1.00 10.00 H new ATOM 0 HA GLU A 56 -7.713 -1.773 -7.652 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -8.702 -1.488 -5.382 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -9.175 -2.870 -6.350 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -8.970 -3.918 -4.341 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -7.319 -4.111 -4.895 1.00 10.00 H new ATOM 897 N CYS A 57 -5.359 -1.295 -5.408 1.00 10.00 N ATOM 898 CA CYS A 57 -4.086 -0.630 -5.152 1.00 10.00 C ATOM 899 C CYS A 57 -3.604 0.214 -6.335 1.00 10.00 C ATOM 900 O CYS A 57 -3.540 1.441 -6.273 1.00 10.00 O ATOM 901 CB CYS A 57 -3.037 -1.726 -4.925 1.00 10.00 C ATOM 902 SG CYS A 57 -2.514 -2.135 -3.262 1.00 10.00 S ATOM 0 H CYS A 57 -5.520 -2.057 -4.749 1.00 10.00 H new ATOM 0 HA CYS A 57 -4.221 0.032 -4.297 1.00 10.00 H new ATOM 0 HB2 CYS A 57 -3.420 -2.640 -5.378 1.00 10.00 H new ATOM 0 HB3 CYS A 57 -2.146 -1.442 -5.484 1.00 10.00 H new ATOM 907 N MET A 58 -3.209 -0.476 -7.406 1.00 10.00 N ATOM 908 CA MET A 58 -2.433 0.091 -8.490 1.00 10.00 C ATOM 909 C MET A 58 -3.356 0.876 -9.410 1.00 10.00 C ATOM 910 O MET A 58 -3.005 1.964 -9.867 1.00 10.00 O ATOM 911 CB MET A 58 -1.700 -1.028 -9.233 1.00 10.00 C ATOM 912 CG MET A 58 -0.787 -1.822 -8.292 1.00 10.00 C ATOM 913 SD MET A 58 0.288 -3.023 -9.107 1.00 10.00 S ATOM 914 CE MET A 58 -0.916 -4.133 -9.875 1.00 10.00 C ATOM 0 H MET A 58 -3.428 -1.463 -7.539 1.00 10.00 H new ATOM 0 HA MET A 58 -1.681 0.779 -8.102 1.00 10.00 H new ATOM 0 HB2 MET A 58 -2.427 -1.700 -9.690 1.00 10.00 H new ATOM 0 HB3 MET A 58 -1.108 -0.602 -10.043 1.00 10.00 H new ATOM 0 HG2 MET A 58 -0.166 -1.120 -7.735 1.00 10.00 H new ATOM 0 HG3 MET A 58 -1.407 -2.346 -7.565 1.00 10.00 H new ATOM 0 HE1 MET A 58 -0.395 -4.859 -10.499 1.00 10.00 H new ATOM 0 HE2 MET A 58 -1.475 -4.656 -9.099 1.00 10.00 H new ATOM 0 HE3 MET A 58 -1.604 -3.554 -10.490 1.00 10.00 H new ATOM 924 N LYS A 59 -4.560 0.347 -9.637 1.00 10.00 N ATOM 925 CA LYS A 59 -5.604 1.048 -10.365 1.00 10.00 C ATOM 926 C LYS A 59 -5.841 2.417 -9.712 1.00 10.00 C ATOM 927 O LYS A 59 -5.852 3.440 -10.391 1.00 10.00 O ATOM 928 CB LYS A 59 -6.870 0.172 -10.396 1.00 10.00 C ATOM 929 CG LYS A 59 -7.678 0.325 -11.690 1.00 10.00 C ATOM 930 CD LYS A 59 -8.317 1.713 -11.840 1.00 10.00 C ATOM 931 CE LYS A 59 -9.258 1.774 -13.051 1.00 10.00 C ATOM 932 NZ LYS A 59 -8.539 1.585 -14.328 1.00 10.00 N ATOM 0 H LYS A 59 -4.833 -0.582 -9.318 1.00 10.00 H new ATOM 0 HA LYS A 59 -5.310 1.230 -11.399 1.00 10.00 H new ATOM 0 HB2 LYS A 59 -6.584 -0.873 -10.275 1.00 10.00 H new ATOM 0 HB3 LYS A 59 -7.503 0.430 -9.547 1.00 10.00 H new ATOM 0 HG2 LYS A 59 -7.026 0.138 -12.543 1.00 10.00 H new ATOM 0 HG3 LYS A 59 -8.461 -0.433 -11.715 1.00 10.00 H new ATOM 0 HD2 LYS A 59 -8.872 1.958 -10.935 1.00 10.00 H new ATOM 0 HD3 LYS A 59 -7.535 2.464 -11.948 1.00 10.00 H new ATOM 0 HE2 LYS A 59 -10.025 1.006 -12.951 1.00 10.00 H new ATOM 0 HE3 LYS A 59 -9.769 2.736 -13.063 1.00 10.00 H new ATOM 0 HZ1 LYS A 59 -9.186 1.768 -15.121 1.00 10.00 H new ATOM 0 HZ2 LYS A 59 -7.737 2.246 -14.376 1.00 10.00 H new ATOM 0 HZ3 LYS A 59 -8.187 0.608 -14.387 1.00 10.00 H new ATOM 946 N GLY A 60 -5.996 2.429 -8.386 1.00 10.00 N ATOM 947 CA GLY A 60 -6.172 3.630 -7.586 1.00 10.00 C ATOM 948 C GLY A 60 -4.947 4.539 -7.663 1.00 10.00 C ATOM 949 O GLY A 60 -5.084 5.743 -7.862 1.00 10.00 O ATOM 0 H GLY A 60 -6.002 1.575 -7.829 1.00 10.00 H new ATOM 0 HA2 GLY A 60 -7.052 4.173 -7.932 1.00 10.00 H new ATOM 0 HA3 GLY A 60 -6.356 3.353 -6.548 1.00 10.00 H new ATOM 953 N TYR A 61 -3.749 3.971 -7.493 1.00 10.00 N ATOM 954 CA TYR A 61 -2.495 4.710 -7.603 1.00 10.00 C ATOM 955 C TYR A 61 -2.368 5.382 -8.976 1.00 10.00 C ATOM 956 O TYR A 61 -1.852 6.494 -9.072 1.00 10.00 O ATOM 957 CB TYR A 61 -1.318 3.764 -7.326 1.00 10.00 C ATOM 958 CG TYR A 61 0.049 4.417 -7.213 1.00 10.00 C ATOM 959 CD1 TYR A 61 0.252 5.513 -6.352 1.00 10.00 C ATOM 960 CD2 TYR A 61 1.147 3.853 -7.889 1.00 10.00 C ATOM 961 CE1 TYR A 61 1.535 6.065 -6.200 1.00 10.00 C ATOM 962 CE2 TYR A 61 2.433 4.395 -7.722 1.00 10.00 C ATOM 963 CZ TYR A 61 2.622 5.518 -6.902 1.00 10.00 C ATOM 964 OH TYR A 61 3.872 6.038 -6.746 1.00 10.00 O ATOM 0 H TYR A 61 -3.625 2.982 -7.275 1.00 10.00 H new ATOM 0 HA TYR A 61 -2.484 5.506 -6.859 1.00 10.00 H new ATOM 0 HB2 TYR A 61 -1.520 3.227 -6.399 1.00 10.00 H new ATOM 0 HB3 TYR A 61 -1.279 3.021 -8.123 1.00 10.00 H new ATOM 0 HD1 TYR A 61 -0.582 5.931 -5.807 1.00 10.00 H new ATOM 0 HD2 TYR A 61 1.001 3.002 -8.538 1.00 10.00 H new ATOM 0 HE1 TYR A 61 1.686 6.909 -5.544 1.00 10.00 H new ATOM 0 HE2 TYR A 61 3.277 3.947 -8.225 1.00 10.00 H new ATOM 0 HH TYR A 61 4.505 5.540 -7.304 1.00 10.00 H new ATOM 974 N GLY A 62 -2.855 4.711 -10.024 1.00 10.00 N ATOM 975 CA GLY A 62 -3.005 5.255 -11.367 1.00 10.00 C ATOM 976 C GLY A 62 -2.235 4.464 -12.427 1.00 10.00 C ATOM 977 O GLY A 62 -2.000 4.989 -13.513 1.00 10.00 O ATOM 0 H GLY A 62 -3.165 3.742 -9.953 1.00 10.00 H new ATOM 0 HA2 GLY A 62 -4.063 5.269 -11.630 1.00 10.00 H new ATOM 0 HA3 GLY A 62 -2.661 6.289 -11.374 1.00 10.00 H new ATOM 981 N PHE A 63 -1.866 3.209 -12.145 1.00 10.00 N ATOM 982 CA PHE A 63 -1.166 2.337 -13.080 1.00 10.00 C ATOM 983 C PHE A 63 -1.913 1.009 -13.175 1.00 10.00 C ATOM 984 O PHE A 63 -1.951 0.251 -12.208 1.00 10.00 O ATOM 985 CB PHE A 63 0.282 2.104 -12.621 1.00 10.00 C ATOM 986 CG PHE A 63 1.160 3.340 -12.488 1.00 10.00 C ATOM 987 CD1 PHE A 63 1.111 4.369 -13.450 1.00 10.00 C ATOM 988 CD2 PHE A 63 2.103 3.416 -11.445 1.00 10.00 C ATOM 989 CE1 PHE A 63 1.946 5.493 -13.330 1.00 10.00 C ATOM 990 CE2 PHE A 63 2.954 4.531 -11.338 1.00 10.00 C ATOM 991 CZ PHE A 63 2.867 5.576 -12.273 1.00 10.00 C ATOM 0 H PHE A 63 -2.051 2.769 -11.244 1.00 10.00 H new ATOM 0 HA PHE A 63 -1.135 2.810 -14.061 1.00 10.00 H new ATOM 0 HB2 PHE A 63 0.257 1.598 -11.656 1.00 10.00 H new ATOM 0 HB3 PHE A 63 0.758 1.422 -13.326 1.00 10.00 H new ATOM 0 HD1 PHE A 63 0.428 4.293 -14.283 1.00 10.00 H new ATOM 0 HD2 PHE A 63 2.173 2.615 -10.724 1.00 10.00 H new ATOM 0 HE1 PHE A 63 1.879 6.294 -14.051 1.00 10.00 H new ATOM 0 HE2 PHE A 63 3.675 4.584 -10.536 1.00 10.00 H new ATOM 0 HZ PHE A 63 3.507 6.441 -12.179 1.00 10.00 H new ATOM 1001 N GLU A 64 -2.486 0.709 -14.342 1.00 10.00 N ATOM 1002 CA GLU A 64 -3.139 -0.566 -14.597 1.00 10.00 C ATOM 1003 C GLU A 64 -2.061 -1.650 -14.759 1.00 10.00 C ATOM 1004 O GLU A 64 -1.779 -2.084 -15.873 1.00 10.00 O ATOM 1005 CB GLU A 64 -4.055 -0.425 -15.827 1.00 10.00 C ATOM 1006 CG GLU A 64 -5.134 -1.517 -15.879 1.00 10.00 C ATOM 1007 CD GLU A 64 -6.236 -1.265 -14.861 1.00 10.00 C ATOM 1008 OE1 GLU A 64 -7.032 -0.331 -15.108 1.00 10.00 O ATOM 1009 OE2 GLU A 64 -6.258 -1.966 -13.830 1.00 10.00 O ATOM 0 H GLU A 64 -2.508 1.349 -15.136 1.00 10.00 H new ATOM 0 HA GLU A 64 -3.774 -0.866 -13.764 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -4.533 0.554 -15.811 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -3.452 -0.470 -16.734 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -5.564 -1.556 -16.880 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -4.678 -2.489 -15.690 1.00 10.00 H new ATOM 1016 N VAL A 65 -1.458 -2.053 -13.633 1.00 10.00 N ATOM 1017 CA VAL A 65 -0.333 -2.983 -13.519 1.00 10.00 C ATOM 1018 C VAL A 65 0.988 -2.263 -13.865 1.00 10.00 C ATOM 1019 O VAL A 65 0.982 -1.369 -14.712 1.00 10.00 O ATOM 1020 CB VAL A 65 -0.571 -4.292 -14.312 1.00 10.00 C ATOM 1021 CG1 VAL A 65 0.505 -5.347 -14.030 1.00 10.00 C ATOM 1022 CG2 VAL A 65 -1.931 -4.914 -13.959 1.00 10.00 C ATOM 0 H VAL A 65 -1.764 -1.715 -12.721 1.00 10.00 H new ATOM 0 HA VAL A 65 -0.249 -3.310 -12.483 1.00 10.00 H new ATOM 0 HB VAL A 65 -0.537 -4.010 -15.364 1.00 10.00 H new ATOM 0 HG11 VAL A 65 0.294 -6.246 -14.609 1.00 10.00 H new ATOM 0 HG12 VAL A 65 1.482 -4.955 -14.312 1.00 10.00 H new ATOM 0 HG13 VAL A 65 0.505 -5.592 -12.968 1.00 10.00 H new ATOM 0 HG21 VAL A 65 -2.071 -5.831 -14.531 1.00 10.00 H new ATOM 0 HG22 VAL A 65 -1.961 -5.142 -12.894 1.00 10.00 H new ATOM 0 HG23 VAL A 65 -2.727 -4.210 -14.202 1.00 10.00 H new ATOM 1032 N PRO A 66 2.124 -2.563 -13.200 1.00 10.00 N ATOM 1033 CA PRO A 66 3.398 -1.929 -13.514 1.00 10.00 C ATOM 1034 C PRO A 66 3.961 -2.500 -14.817 1.00 10.00 C ATOM 1035 O PRO A 66 3.428 -3.464 -15.360 1.00 10.00 O ATOM 1036 CB PRO A 66 4.339 -2.249 -12.339 1.00 10.00 C ATOM 1037 CG PRO A 66 3.421 -2.815 -11.256 1.00 10.00 C ATOM 1038 CD PRO A 66 2.326 -3.474 -12.086 1.00 10.00 C ATOM 0 HA PRO A 66 3.287 -0.853 -13.649 1.00 10.00 H new ATOM 0 HB2 PRO A 66 5.103 -2.970 -12.628 1.00 10.00 H new ATOM 0 HB3 PRO A 66 4.858 -1.356 -11.992 1.00 10.00 H new ATOM 0 HG2 PRO A 66 3.937 -3.532 -10.617 1.00 10.00 H new ATOM 0 HG3 PRO A 66 3.027 -2.034 -10.606 1.00 10.00 H new ATOM 0 HD2 PRO A 66 2.628 -4.463 -12.430 1.00 10.00 H new ATOM 0 HD3 PRO A 66 1.412 -3.604 -11.507 1.00 10.00 H new ATOM 1046 N SER A 67 5.089 -1.952 -15.279 1.00 10.00 N ATOM 1047 CA SER A 67 5.834 -2.550 -16.382 1.00 10.00 C ATOM 1048 C SER A 67 6.326 -3.942 -15.964 1.00 10.00 C ATOM 1049 O SER A 67 6.012 -4.941 -16.608 1.00 10.00 O ATOM 1050 CB SER A 67 6.981 -1.617 -16.799 1.00 10.00 C ATOM 1051 OG SER A 67 7.657 -2.136 -17.926 1.00 10.00 O ATOM 0 H SER A 67 5.502 -1.098 -14.905 1.00 10.00 H new ATOM 0 HA SER A 67 5.193 -2.677 -17.254 1.00 10.00 H new ATOM 0 HB2 SER A 67 6.587 -0.627 -17.028 1.00 10.00 H new ATOM 0 HB3 SER A 67 7.680 -1.498 -15.971 1.00 10.00 H new ATOM 0 HG SER A 67 8.383 -1.529 -18.180 1.00 10.00 H new ATOM 1057 N ALA A 68 7.078 -4.006 -14.859 1.00 10.00 N ATOM 1058 CA ALA A 68 7.607 -5.241 -14.298 1.00 10.00 C ATOM 1059 C ALA A 68 8.189 -4.946 -12.915 1.00 10.00 C ATOM 1060 O ALA A 68 9.361 -4.591 -12.807 1.00 10.00 O ATOM 1061 CB ALA A 68 8.680 -5.830 -15.225 1.00 10.00 C ATOM 0 H ALA A 68 7.338 -3.178 -14.323 1.00 10.00 H new ATOM 0 HA ALA A 68 6.807 -5.975 -14.203 1.00 10.00 H new ATOM 0 HB1 ALA A 68 9.067 -6.753 -14.793 1.00 10.00 H new ATOM 0 HB2 ALA A 68 8.242 -6.041 -16.200 1.00 10.00 H new ATOM 0 HB3 ALA A 68 9.494 -5.114 -15.340 1.00 10.00 H new ATOM 1067 N ASN A 69 7.382 -5.064 -11.858 1.00 10.00 N ATOM 1068 CA ASN A 69 7.855 -4.905 -10.491 1.00 10.00 C ATOM 1069 C ASN A 69 6.873 -5.555 -9.527 1.00 10.00 C ATOM 1070 O ASN A 69 5.666 -5.234 -9.597 1.00 10.00 O ATOM 1071 CB ASN A 69 8.006 -3.421 -10.136 1.00 10.00 C ATOM 1072 CG ASN A 69 8.421 -3.257 -8.675 1.00 10.00 C ATOM 1073 OD1 ASN A 69 7.587 -3.022 -7.800 1.00 10.00 O ATOM 1074 ND2 ASN A 69 9.714 -3.384 -8.391 1.00 10.00 N ATOM 1075 OXT ASN A 69 7.334 -6.242 -8.592 1.00 10.00 O ATOM 0 H ASN A 69 6.386 -5.272 -11.931 1.00 10.00 H new ATOM 0 HA ASN A 69 8.829 -5.387 -10.408 1.00 10.00 H new ATOM 0 HB2 ASN A 69 8.751 -2.960 -10.785 1.00 10.00 H new ATOM 0 HB3 ASN A 69 7.064 -2.902 -10.313 1.00 10.00 H new ATOM 0 HD21 ASN A 69 10.037 -3.287 -7.428 1.00 10.00 H new ATOM 0 HD22 ASN A 69 10.383 -3.579 -9.136 1.00 10.00 H new TER 1082 ASN A 69 CONECT 392 902 CONECT 555 721 CONECT 721 555 CONECT 902 392 END