USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) HEADER CYSTEINE MOTIF 26-AUG-97 1HP8 TITLE SOLUTION STRUCTURE OF HUMAN P8-MTCP1, A CYSTEINE-RICH TITLE 2 PROTEIN ENCODED BY THE MTCP1 ONCOGENE,REVEALS A NEW ALPHA- TITLE 3 HELICAL ASSEMBLY MOTIF, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HU-P8; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL: T-LYMPHOCYTE; SOURCE 6 CELLULAR_LOCATION: MITOCHONDRIA; SOURCE 7 GENE: MTCP1; SOURCE 8 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 9 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 0 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PGEX2T KEYWDS HU-P8, LEUKEMIA, CYSTEINE MOTIF EXPDTA SOLUTION NMR AUTHOR P.BARTHE,L.CHICHE,M.P.STRUB,C.ROUMESTAND REVDAT 3 24-FEB-09 1HP8 1 VERSN REVDAT 2 01-APR-03 1HP8 1 JRNL REVDAT 1 04-MAR-98 1HP8 0 JRNL AUTH P.BARTHE,Y.S.YANG,L.CHICHE,F.HOH,M.P.STRUB, JRNL AUTH 2 L.GUIGNARD,J.SOULIER,M.H.STERN,H.VAN TILBEURGH, JRNL AUTH 3 J.M.LHOSTE,C.ROUMESTAND JRNL TITL SOLUTION STRUCTURE OF HUMAN P8MTCP1, A JRNL TITL 2 CYSTEINE-RICH PROTEIN ENCODED BY THE MTCP1 JRNL TITL 3 ONCOGENE, REVEALS A NEW ALPHA-HELICAL ASSEMBLY JRNL TITL 4 MOTIF. JRNL REF J.MOL.BIOL. V. 274 801 1997 JRNL REFN ISSN 0022-2836 JRNL PMID 9405159 JRNL DOI 10.1006/JMBI.1997.1438 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH J.SOULIER,A.MADANI,V.CACHEUX,M.ROSENZWAJG,F.SIGAUX, REMARK 1 AUTH 2 M.H.STERN REMARK 1 TITL THE MTCP-1/C6.1B GENE ENCODES FOR A CYTOPLASMIC 8 REMARK 1 TITL 2 KD PROTEIN OVEREXPRESSED IN T CELL LEUKEMIA REMARK 1 TITL 3 BEARING A T(X;14) TRANSLOCATION REMARK 1 REF ONCOGENE V. 9 3565 1994 REMARK 1 REFN ISSN 0950-9232 REMARK 1 REFERENCE 2 REMARK 1 AUTH M.H.STERN,J.SOULIER,M.ROSENZWAJG,K.NAKAHARA, REMARK 1 AUTH 2 N.CANKI-KLAIN,A.AURIAS,F.SIGAUX,I.R.KIRSCH REMARK 1 TITL MTCP-1: A NOVEL GENE ON THE HUMAN CHROMOSOME XQ28 REMARK 1 TITL 2 TRANSLOCATED TO THE T CELL RECEPTOR ALPHA/DELTA REMARK 1 TITL 3 LOCUS IN MATURE T CELL PROLIFERATIONS REMARK 1 REF ONCOGENE V. 8 2475 1993 REMARK 1 REFN ISSN 0950-9232 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : AMBER 4.1 REMARK 3 AUTHORS : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON, REMARK 3 SEIBEL,SINGH,WEINER,KOLLMAN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE 3D STRUCTURE OF P8-MTCP1 IN REMARK 3 SOLUTION BY NMR IS BASED ON 931 APPROXIMATE INTERPROTON REMARK 3 DISTANCE RESTRAINTS AND 57 TORSION ANGLE RESTRAINTS DERIVED REMARK 3 FROM NOE AND COUPLING CONSTANT MEASUREMENTS. THE STRUCTURES REMARK 3 ARE CALCULATED USING THE DISTANCE GEOMETRY DIANA METHOD, P. REMARK 3 GUNTERT AND K. WUTHRICH (1991) J. BIOMOL. NMR 1, 447-456 AND REMARK 3 REFINED USING A SIMULATED-ANNEALING PROTOCOL WITH THE PROGRAM REMARK 3 AMBER 4.1. REMARK 4 REMARK 4 1HP8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 10MM PO4 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, COSY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : MHZ REMARK 210 SPECTROMETER MODEL : AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : UXNMR, GIFA, DIANA, AMBER REMARK 210 METHOD USED : DISTANCE GEOMETRY AND REMARK 210 RESTRAINED MOLECULAR DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 30 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION 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 LYS A 64 130.64 147.44 REMARK 500 SER A 67 28.87 -145.52 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 36 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2HP8 RELATED DB: PDB DBREF 1HP8 A 1 68 UNP P56277 MTCPA_HUMAN 1 68 SEQRES 1 A 68 MET PRO GLN LYS ASP PRO CYS GLN LYS GLN ALA CYS GLU SEQRES 2 A 68 ILE GLN LYS CYS LEU GLN ALA ASN SER TYR MET GLU SER SEQRES 3 A 68 LYS CYS GLN ALA VAL ILE GLN GLU LEU ARG LYS CYS CYS SEQRES 4 A 68 ALA GLN TYR PRO LYS GLY ARG SER VAL VAL CYS SER GLY SEQRES 5 A 68 PHE GLU LYS GLU GLU GLU GLU ASN LEU THR ARG LYS SER SEQRES 6 A 68 ALA SER LYS HELIX 1 1 GLN A 8 ALA A 20 1 13 HELIX 2 2 GLN A 29 ALA A 40 1 12 HELIX 3 3 LYS A 44 ARG A 46 5 3 HELIX 4 4 VAL A 48 ARG A 63 1 16 SSBOND *** CYS A 7 CYS A 38 1555 1555 2.05 SSBOND *** CYS A 17 CYS A 28 1555 1555 2.06 SSBOND *** CYS A 39 CYS A 50 1555 1555 2.04 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 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 67 SER OG : rot -40:sc= 0.749 USER MOD Set 2.1: A 60 ASN : amide:sc= 0.446 K(o=0.44,f=-1.9) USER MOD Set 2.2: A 68 LYS NZ :NH3+ 158:sc=-0.00675 (180deg=-0.702) USER MOD Set 3.1: A 44 LYS NZ :NH3+ -149:sc= -0.313 (180deg=-0.606) USER MOD Set 3.2: A 51 SER OG : rot 60:sc= 1.28 USER MOD Set 4.1: A 41 GLN : amide:sc= 1.09 K(o=2.3,f=-2.7!) USER MOD Set 4.2: A 42 TYR OH : rot 72:sc= 1.18 USER MOD Set 5.1: A 24 MET CE :methyl 180:sc=-0.00064 (180deg=0) USER MOD Set 5.2: A 27 LYS NZ :NH3+ -100:sc= 0.00363 (180deg=0.0161) USER MOD Set 6.1: A 19 GLN : amide:sc= -0.224! C(o=0.97!,f=-4.8!) USER MOD Set 6.2: A 23 TYR OH : rot -25:sc= 1.19 USER MOD Single : A 1 MET CE :methyl -128:sc= 0 (180deg=-0.0476) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.0705 (180deg=-0.0903) USER MOD Single : A 3 GLN : amide:sc=-0.00901 X(o=-0.009,f=-0.17) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.44) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.011 K(o=-0.011,f=-0.6) USER MOD Single : A 12 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 1.05 K(o=1.1,f=-3.7!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 29 GLN : amide:sc= 1.01 K(o=1,f=-0.1) USER MOD Single : A 33 GLN : amide:sc= -0.0603 X(o=-0.06,f=0) USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 0.69 (180deg=0.649) USER MOD Single : A 47 SER OG : rot 112:sc= 1.53 USER MOD Single : A 55 LYS NZ :NH3+ -170:sc=-0.00488 (180deg=-0.126) USER MOD Single : A 62 THR OG1 : rot -94:sc= 1.2 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00971 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.332 14.411 -7.173 1.00 0.00 N ATOM 2 CA MET A 1 8.587 14.940 -6.664 1.00 0.00 C ATOM 3 C MET A 1 8.954 14.287 -5.321 1.00 0.00 C ATOM 4 O MET A 1 8.592 14.794 -4.258 1.00 0.00 O ATOM 5 CB MET A 1 8.596 16.469 -6.652 1.00 0.00 C ATOM 6 CG MET A 1 7.381 17.145 -5.996 1.00 0.00 C ATOM 7 SD MET A 1 7.326 18.948 -6.178 1.00 0.00 S ATOM 8 CE MET A 1 6.832 19.084 -7.918 1.00 0.00 C ATOM 0 H1 MET A 1 7.088 14.891 -8.063 1.00 0.00 H new ATOM 0 H2 MET A 1 7.430 13.390 -7.346 1.00 0.00 H new ATOM 0 H3 MET A 1 6.578 14.573 -6.475 1.00 0.00 H new ATOM 0 HA MET A 1 9.388 14.666 -7.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.496 16.803 -6.135 1.00 0.00 H new ATOM 0 HB3 MET A 1 8.670 16.820 -7.681 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.472 16.722 -6.425 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.376 16.901 -4.934 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.524 19.743 -8.442 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.851 18.097 -8.380 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.824 19.494 -7.979 1.00 0.00 H new ATOM 20 N PRO A 2 9.658 13.141 -5.359 1.00 0.00 N ATOM 21 CA PRO A 2 9.955 12.308 -4.200 1.00 0.00 C ATOM 22 C PRO A 2 11.089 12.908 -3.349 1.00 0.00 C ATOM 23 O PRO A 2 12.143 12.296 -3.189 1.00 0.00 O ATOM 24 CB PRO A 2 10.287 10.932 -4.799 1.00 0.00 C ATOM 25 CG PRO A 2 10.949 11.288 -6.131 1.00 0.00 C ATOM 26 CD PRO A 2 10.160 12.519 -6.575 1.00 0.00 C ATOM 0 HA PRO A 2 9.124 12.235 -3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 2 10.957 10.362 -4.155 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.391 10.327 -4.942 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.010 11.508 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.872 10.475 -6.853 1.00 0.00 H new ATOM 0 HD2 PRO A 2 10.795 13.209 -7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.340 12.238 -7.236 1.00 0.00 H new ATOM 34 N GLN A 3 10.856 14.095 -2.774 1.00 0.00 N ATOM 35 CA GLN A 3 11.746 14.746 -1.811 1.00 0.00 C ATOM 36 C GLN A 3 12.040 13.772 -0.661 1.00 0.00 C ATOM 37 O GLN A 3 13.195 13.500 -0.343 1.00 0.00 O ATOM 38 CB GLN A 3 11.098 16.046 -1.295 1.00 0.00 C ATOM 39 CG GLN A 3 10.933 17.137 -2.367 1.00 0.00 C ATOM 40 CD GLN A 3 12.265 17.783 -2.744 1.00 0.00 C ATOM 41 OE1 GLN A 3 13.022 17.251 -3.546 1.00 0.00 O ATOM 42 NE2 GLN A 3 12.581 18.940 -2.174 1.00 0.00 N ATOM 0 H GLN A 3 10.019 14.642 -2.973 1.00 0.00 H new ATOM 0 HA GLN A 3 12.688 15.011 -2.291 1.00 0.00 H new ATOM 0 HB2 GLN A 3 10.119 15.810 -0.879 1.00 0.00 H new ATOM 0 HB3 GLN A 3 11.704 16.442 -0.480 1.00 0.00 H new ATOM 0 HG2 GLN A 3 10.477 16.703 -3.257 1.00 0.00 H new ATOM 0 HG3 GLN A 3 10.250 17.904 -2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.941 19.372 -1.508 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.464 19.397 -2.403 1.00 0.00 H new ATOM 51 N LYS A 4 10.969 13.241 -0.064 1.00 0.00 N ATOM 52 CA LYS A 4 10.917 12.119 0.854 1.00 0.00 C ATOM 53 C LYS A 4 9.592 11.424 0.545 1.00 0.00 C ATOM 54 O LYS A 4 8.629 12.095 0.163 1.00 0.00 O ATOM 55 CB LYS A 4 10.963 12.581 2.317 1.00 0.00 C ATOM 56 CG LYS A 4 12.366 13.017 2.761 1.00 0.00 C ATOM 57 CD LYS A 4 12.349 13.421 4.236 1.00 0.00 C ATOM 58 CE LYS A 4 13.769 13.756 4.701 1.00 0.00 C ATOM 59 NZ LYS A 4 13.799 14.129 6.127 1.00 0.00 N ATOM 0 H LYS A 4 10.039 13.625 -0.231 1.00 0.00 H new ATOM 0 HA LYS A 4 11.774 11.457 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.270 13.411 2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.619 11.771 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.074 12.203 2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.705 13.854 2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.697 14.283 4.378 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.941 12.610 4.839 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.419 12.897 4.535 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.165 14.576 4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 14.776 14.349 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 13.198 14.964 6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 13.444 13.337 6.700 1.00 0.00 H new ATOM 73 N ASP A 5 9.521 10.106 0.725 1.00 0.00 N ATOM 74 CA ASP A 5 8.342 9.312 0.437 1.00 0.00 C ATOM 75 C ASP A 5 8.188 8.255 1.543 1.00 0.00 C ATOM 76 O ASP A 5 8.796 7.193 1.437 1.00 0.00 O ATOM 77 CB ASP A 5 8.419 8.749 -0.994 1.00 0.00 C ATOM 78 CG ASP A 5 7.095 8.138 -1.454 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.363 7.563 -0.611 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.779 8.277 -2.656 1.00 0.00 O ATOM 0 H ASP A 5 10.301 9.555 1.083 1.00 0.00 H new ATOM 0 HA ASP A 5 7.434 9.914 0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.705 9.546 -1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.201 7.991 -1.041 1.00 0.00 H new ATOM 85 N PRO A 6 7.403 8.516 2.610 1.00 0.00 N ATOM 86 CA PRO A 6 7.236 7.637 3.776 1.00 0.00 C ATOM 87 C PRO A 6 6.755 6.240 3.408 1.00 0.00 C ATOM 88 O PRO A 6 6.948 5.271 4.147 1.00 0.00 O ATOM 89 CB PRO A 6 6.164 8.296 4.644 1.00 0.00 C ATOM 90 CG PRO A 6 6.238 9.758 4.238 1.00 0.00 C ATOM 91 CD PRO A 6 6.489 9.631 2.740 1.00 0.00 C ATOM 0 HA PRO A 6 8.198 7.518 4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 6 5.177 7.875 4.454 1.00 0.00 H new ATOM 0 HB3 PRO A 6 6.368 8.162 5.706 1.00 0.00 H new ATOM 0 HG2 PRO A 6 5.315 10.294 4.458 1.00 0.00 H new ATOM 0 HG3 PRO A 6 7.043 10.287 4.748 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.561 9.447 2.198 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.920 10.545 2.333 1.00 0.00 H new ATOM 99 N CYS A 7 6.076 6.164 2.264 1.00 0.00 N ATOM 100 CA CYS A 7 5.338 5.016 1.843 1.00 0.00 C ATOM 101 C CYS A 7 6.068 4.201 0.799 1.00 0.00 C ATOM 102 O CYS A 7 5.735 3.033 0.608 1.00 0.00 O ATOM 103 CB CYS A 7 3.961 5.507 1.407 1.00 0.00 C ATOM 104 SG CYS A 7 2.978 6.211 2.764 1.00 0.00 S ATOM 0 H CYS A 7 6.035 6.934 1.597 1.00 0.00 H new ATOM 0 HA CYS A 7 5.221 4.309 2.664 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.082 6.260 0.628 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.411 4.676 0.964 1.00 0.00 H new ATOM 106 N GLN A 8 7.114 4.768 0.194 1.00 0.00 N ATOM 107 CA GLN A 8 7.963 4.095 -0.758 1.00 0.00 C ATOM 108 C GLN A 8 8.531 2.799 -0.178 1.00 0.00 C ATOM 109 O GLN A 8 8.669 1.795 -0.877 1.00 0.00 O ATOM 110 CB GLN A 8 9.043 5.106 -1.157 1.00 0.00 C ATOM 111 CG GLN A 8 10.122 4.470 -2.010 1.00 0.00 C ATOM 112 CD GLN A 8 11.326 3.936 -1.235 1.00 0.00 C ATOM 113 OE1 GLN A 8 12.186 4.687 -0.799 1.00 0.00 O ATOM 114 NE2 GLN A 8 11.404 2.624 -1.065 1.00 0.00 N ATOM 0 H GLN A 8 7.391 5.735 0.366 1.00 0.00 H new ATOM 0 HA GLN A 8 7.410 3.778 -1.642 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.585 5.930 -1.705 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.493 5.531 -0.259 1.00 0.00 H new ATOM 0 HG2 GLN A 8 9.680 3.650 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.472 5.205 -2.734 1.00 0.00 H new ATOM 0 HE21 GLN A 8 10.674 2.017 -1.438 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.194 2.221 -0.561 1.00 0.00 H new ATOM 123 N LYS A 9 8.866 2.836 1.107 1.00 0.00 N ATOM 124 CA LYS A 9 9.347 1.690 1.857 1.00 0.00 C ATOM 125 C LYS A 9 8.290 0.590 1.865 1.00 0.00 C ATOM 126 O LYS A 9 8.588 -0.563 1.563 1.00 0.00 O ATOM 127 CB LYS A 9 9.682 2.124 3.284 1.00 0.00 C ATOM 128 CG LYS A 9 10.477 1.037 4.022 1.00 0.00 C ATOM 129 CD LYS A 9 10.409 1.217 5.539 1.00 0.00 C ATOM 130 CE LYS A 9 11.168 2.461 6.006 1.00 0.00 C ATOM 131 NZ LYS A 9 11.179 2.555 7.477 1.00 0.00 N ATOM 0 H LYS A 9 8.808 3.687 1.667 1.00 0.00 H new ATOM 0 HA LYS A 9 10.247 1.296 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.260 3.048 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.762 2.338 3.828 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.086 0.055 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.518 1.065 3.699 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.366 1.292 5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.824 0.335 6.027 1.00 0.00 H new ATOM 0 HE2 LYS A 9 12.192 2.428 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.704 3.353 5.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.700 3.407 7.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.202 2.610 7.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.643 1.714 7.875 1.00 0.00 H new ATOM 145 N GLN A 10 7.047 0.952 2.188 1.00 0.00 N ATOM 146 CA GLN A 10 5.970 -0.009 2.304 1.00 0.00 C ATOM 147 C GLN A 10 5.661 -0.576 0.913 1.00 0.00 C ATOM 148 O GLN A 10 5.590 -1.786 0.764 1.00 0.00 O ATOM 149 CB GLN A 10 4.729 0.552 3.017 1.00 0.00 C ATOM 150 CG GLN A 10 4.916 1.688 4.037 1.00 0.00 C ATOM 151 CD GLN A 10 6.123 1.600 4.976 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.597 0.529 5.330 1.00 0.00 O ATOM 153 NE2 GLN A 10 6.691 2.736 5.360 1.00 0.00 N ATOM 0 H GLN A 10 6.769 1.916 2.374 1.00 0.00 H new ATOM 0 HA GLN A 10 6.297 -0.823 2.951 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.039 0.905 2.251 1.00 0.00 H new ATOM 0 HB3 GLN A 10 4.239 -0.276 3.530 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.985 2.627 3.487 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.016 1.742 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.296 3.629 5.065 1.00 0.00 H new ATOM 0 HE22 GLN A 10 7.523 2.716 5.950 1.00 0.00 H new ATOM 162 N ALA A 11 5.581 0.264 -0.127 1.00 0.00 N ATOM 163 CA ALA A 11 5.515 -0.156 -1.530 1.00 0.00 C ATOM 164 C ALA A 11 6.628 -1.134 -1.905 1.00 0.00 C ATOM 165 O ALA A 11 6.385 -2.079 -2.654 1.00 0.00 O ATOM 166 CB ALA A 11 5.566 1.070 -2.439 1.00 0.00 C ATOM 0 H ALA A 11 5.560 1.277 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 11 4.570 -0.682 -1.666 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.517 0.753 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.721 1.722 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.497 1.611 -2.268 1.00 0.00 H new ATOM 172 N CYS A 12 7.829 -0.936 -1.358 1.00 0.00 N ATOM 173 CA CYS A 12 8.904 -1.899 -1.504 1.00 0.00 C ATOM 174 C CYS A 12 8.499 -3.213 -0.836 1.00 0.00 C ATOM 175 O CYS A 12 8.599 -4.270 -1.449 1.00 0.00 O ATOM 176 CB CYS A 12 10.213 -1.352 -0.949 1.00 0.00 C ATOM 177 SG CYS A 12 11.621 -2.136 -1.780 1.00 0.00 S ATOM 0 H CYS A 12 8.075 -0.112 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 12 9.076 -2.091 -2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.253 -0.272 -1.090 1.00 0.00 H new ATOM 0 HB3 CYS A 12 10.266 -1.535 0.124 1.00 0.00 H new ATOM 0 HG CYS A 12 12.730 -1.658 -1.298 1.00 0.00 H new ATOM 182 N GLU A 13 8.003 -3.148 0.404 1.00 0.00 N ATOM 183 CA GLU A 13 7.574 -4.289 1.198 1.00 0.00 C ATOM 184 C GLU A 13 6.445 -5.073 0.546 1.00 0.00 C ATOM 185 O GLU A 13 6.388 -6.273 0.782 1.00 0.00 O ATOM 186 CB GLU A 13 7.153 -3.876 2.622 1.00 0.00 C ATOM 187 CG GLU A 13 8.373 -3.675 3.502 1.00 0.00 C ATOM 188 CD GLU A 13 8.052 -2.996 4.835 1.00 0.00 C ATOM 189 OE1 GLU A 13 7.245 -3.581 5.591 1.00 0.00 O ATOM 190 OE2 GLU A 13 8.664 -1.937 5.093 1.00 0.00 O ATOM 0 H GLU A 13 7.888 -2.262 0.895 1.00 0.00 H new ATOM 0 HA GLU A 13 8.447 -4.939 1.259 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.571 -2.955 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.509 -4.642 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.835 -4.643 3.697 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.106 -3.074 2.963 1.00 0.00 H new ATOM 197 N ILE A 14 5.581 -4.475 -0.284 1.00 0.00 N ATOM 198 CA ILE A 14 4.666 -5.241 -1.109 1.00 0.00 C ATOM 199 C ILE A 14 5.482 -6.198 -1.970 1.00 0.00 C ATOM 200 O ILE A 14 5.251 -7.408 -1.933 1.00 0.00 O ATOM 201 CB ILE A 14 3.778 -4.291 -1.935 1.00 0.00 C ATOM 202 CG1 ILE A 14 2.623 -3.694 -1.124 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.153 -4.989 -3.158 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.941 -2.723 -0.011 1.00 0.00 C ATOM 0 H ILE A 14 5.504 -3.464 -0.395 1.00 0.00 H new ATOM 0 HA ILE A 14 3.988 -5.835 -0.497 1.00 0.00 H new ATOM 0 HB ILE A 14 4.457 -3.499 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.956 -3.189 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 14 2.062 -4.522 -0.690 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.536 -4.278 -3.707 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.945 -5.361 -3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.535 -5.823 -2.825 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.015 -2.395 0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.573 -3.213 0.730 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.465 -1.859 -0.420 1.00 0.00 H new ATOM 216 N GLN A 15 6.455 -5.663 -2.714 1.00 0.00 N ATOM 217 CA GLN A 15 7.310 -6.466 -3.559 1.00 0.00 C ATOM 218 C GLN A 15 8.091 -7.472 -2.717 1.00 0.00 C ATOM 219 O GLN A 15 8.106 -8.643 -3.084 1.00 0.00 O ATOM 220 CB GLN A 15 8.226 -5.598 -4.435 1.00 0.00 C ATOM 221 CG GLN A 15 7.427 -4.600 -5.286 1.00 0.00 C ATOM 222 CD GLN A 15 8.296 -3.989 -6.380 1.00 0.00 C ATOM 223 OE1 GLN A 15 9.003 -3.014 -6.162 1.00 0.00 O ATOM 224 NE2 GLN A 15 8.267 -4.561 -7.577 1.00 0.00 N ATOM 0 H GLN A 15 6.662 -4.665 -2.740 1.00 0.00 H new ATOM 0 HA GLN A 15 6.681 -7.029 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 15 8.927 -5.055 -3.801 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.818 -6.239 -5.088 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.572 -5.105 -5.736 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.031 -3.810 -4.648 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.672 -5.373 -7.740 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.840 -4.189 -8.334 1.00 0.00 H new ATOM 233 N LYS A 16 8.693 -7.071 -1.588 1.00 0.00 N ATOM 234 CA LYS A 16 9.494 -7.972 -0.757 1.00 0.00 C ATOM 235 C LYS A 16 8.651 -9.080 -0.147 1.00 0.00 C ATOM 236 O LYS A 16 9.068 -10.239 -0.171 1.00 0.00 O ATOM 237 CB LYS A 16 10.188 -7.240 0.416 1.00 0.00 C ATOM 238 CG LYS A 16 10.966 -5.948 0.120 1.00 0.00 C ATOM 239 CD LYS A 16 11.872 -6.029 -1.105 1.00 0.00 C ATOM 240 CE LYS A 16 12.937 -7.071 -0.800 1.00 0.00 C ATOM 241 NZ LYS A 16 13.926 -7.188 -1.885 1.00 0.00 N ATOM 0 H LYS A 16 8.637 -6.118 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 16 10.242 -8.384 -1.435 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.424 -7.004 1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.879 -7.943 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.255 -5.134 -0.021 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.572 -5.695 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.300 -6.309 -1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.328 -5.061 -1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.446 -6.807 0.127 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.461 -8.038 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.632 -7.909 -1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.445 -7.465 -2.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.400 -6.273 -2.023 1.00 0.00 H new ATOM 255 N CYS A 17 7.466 -8.731 0.366 1.00 0.00 N ATOM 256 CA CYS A 17 6.500 -9.697 0.852 1.00 0.00 C ATOM 257 C CYS A 17 6.235 -10.690 -0.256 1.00 0.00 C ATOM 258 O CYS A 17 6.179 -11.887 0.004 1.00 0.00 O ATOM 259 CB CYS A 17 5.192 -9.010 1.247 1.00 0.00 C ATOM 260 SG CYS A 17 3.808 -10.135 1.578 1.00 0.00 S ATOM 0 H CYS A 17 7.157 -7.763 0.452 1.00 0.00 H new ATOM 0 HA CYS A 17 6.897 -10.197 1.735 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.370 -8.405 2.136 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.902 -8.326 0.449 1.00 0.00 H new ATOM 262 N LEU A 18 6.085 -10.196 -1.487 1.00 0.00 N ATOM 263 CA LEU A 18 5.827 -11.044 -2.620 1.00 0.00 C ATOM 264 C LEU A 18 6.932 -12.085 -2.739 1.00 0.00 C ATOM 265 O LEU A 18 6.617 -13.256 -2.885 1.00 0.00 O ATOM 266 CB LEU A 18 5.635 -10.198 -3.895 1.00 0.00 C ATOM 267 CG LEU A 18 4.208 -10.349 -4.426 1.00 0.00 C ATOM 268 CD1 LEU A 18 3.308 -9.279 -3.802 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.153 -10.178 -5.950 1.00 0.00 C ATOM 0 H LEU A 18 6.141 -9.202 -1.711 1.00 0.00 H new ATOM 0 HA LEU A 18 4.893 -11.588 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.840 -9.150 -3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.348 -10.511 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 18 3.868 -11.351 -4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.293 -9.390 -4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.304 -9.394 -2.718 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.686 -8.290 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.124 -10.292 -6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.517 -9.186 -6.218 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.779 -10.935 -6.424 1.00 0.00 H new ATOM 281 N GLN A 19 8.206 -11.704 -2.649 1.00 0.00 N ATOM 282 CA GLN A 19 9.329 -12.642 -2.732 1.00 0.00 C ATOM 283 C GLN A 19 9.291 -13.635 -1.573 1.00 0.00 C ATOM 284 O GLN A 19 9.447 -14.833 -1.800 1.00 0.00 O ATOM 285 CB GLN A 19 10.708 -11.949 -2.882 1.00 0.00 C ATOM 286 CG GLN A 19 10.722 -10.513 -3.446 1.00 0.00 C ATOM 287 CD GLN A 19 10.481 -10.299 -4.937 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.246 -10.765 -5.779 1.00 0.00 O ATOM 289 NE2 GLN A 19 9.345 -9.689 -5.288 1.00 0.00 N ATOM 0 H GLN A 19 8.491 -10.734 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 19 9.203 -13.204 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.184 -11.931 -1.902 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.329 -12.571 -3.527 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.968 -9.941 -2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.690 -10.074 -3.203 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.727 -9.310 -4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.096 -9.602 -6.273 1.00 0.00 H new ATOM 298 N ALA A 20 8.974 -13.163 -0.363 1.00 0.00 N ATOM 299 CA ALA A 20 8.735 -14.009 0.799 1.00 0.00 C ATOM 300 C ALA A 20 7.520 -14.946 0.637 1.00 0.00 C ATOM 301 O ALA A 20 7.354 -15.853 1.449 1.00 0.00 O ATOM 302 CB ALA A 20 8.592 -13.117 2.040 1.00 0.00 C ATOM 0 H ALA A 20 8.876 -12.167 -0.166 1.00 0.00 H new ATOM 0 HA ALA A 20 9.593 -14.672 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.413 -13.739 2.917 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.508 -12.543 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.754 -12.434 1.902 1.00 0.00 H new ATOM 308 N ASN A 21 6.681 -14.754 -0.391 1.00 0.00 N ATOM 309 CA ASN A 21 5.451 -15.496 -0.650 1.00 0.00 C ATOM 310 C ASN A 21 5.432 -16.055 -2.082 1.00 0.00 C ATOM 311 O ASN A 21 4.376 -16.486 -2.535 1.00 0.00 O ATOM 312 CB ASN A 21 4.255 -14.593 -0.320 1.00 0.00 C ATOM 313 CG ASN A 21 4.122 -14.409 1.193 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.536 -15.228 1.884 1.00 0.00 O ATOM 315 ND2 ASN A 21 4.677 -13.347 1.748 1.00 0.00 N ATOM 0 H ASN A 21 6.856 -14.039 -1.097 1.00 0.00 H new ATOM 0 HA ASN A 21 5.390 -16.373 -0.005 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.381 -13.623 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.340 -15.030 -0.721 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.617 -13.209 2.757 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.166 -12.665 1.168 1.00 0.00 H new ATOM 322 N SER A 22 6.560 -16.048 -2.814 1.00 0.00 N ATOM 323 CA SER A 22 6.685 -16.527 -4.195 1.00 0.00 C ATOM 324 C SER A 22 5.608 -15.941 -5.105 1.00 0.00 C ATOM 325 O SER A 22 4.993 -16.617 -5.928 1.00 0.00 O ATOM 326 CB SER A 22 6.704 -18.045 -4.273 1.00 0.00 C ATOM 327 OG SER A 22 7.646 -18.600 -3.374 1.00 0.00 O ATOM 0 H SER A 22 7.441 -15.694 -2.442 1.00 0.00 H new ATOM 0 HA SER A 22 7.648 -16.170 -4.559 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.711 -18.434 -4.047 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.944 -18.355 -5.290 1.00 0.00 H new ATOM 0 HG SER A 22 7.632 -19.577 -3.448 1.00 0.00 H new ATOM 333 N TYR A 23 5.398 -14.645 -4.917 1.00 0.00 N ATOM 334 CA TYR A 23 4.632 -13.724 -5.719 1.00 0.00 C ATOM 335 C TYR A 23 3.123 -13.897 -5.587 1.00 0.00 C ATOM 336 O TYR A 23 2.341 -13.277 -6.308 1.00 0.00 O ATOM 337 CB TYR A 23 5.227 -13.696 -7.127 1.00 0.00 C ATOM 338 CG TYR A 23 6.741 -13.516 -7.133 1.00 0.00 C ATOM 339 CD1 TYR A 23 7.381 -12.810 -6.098 1.00 0.00 C ATOM 340 CD2 TYR A 23 7.539 -14.145 -8.110 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.751 -12.659 -6.070 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.944 -14.021 -8.067 1.00 0.00 C ATOM 343 CZ TYR A 23 9.561 -13.224 -7.072 1.00 0.00 C ATOM 344 OH TYR A 23 10.906 -13.004 -7.062 1.00 0.00 O ATOM 0 H TYR A 23 5.807 -14.172 -4.111 1.00 0.00 H new ATOM 0 HA TYR A 23 4.728 -12.709 -5.334 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.975 -14.624 -7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.768 -12.885 -7.693 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.786 -12.377 -5.308 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.074 -14.724 -8.894 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.209 -12.099 -5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.552 -14.536 -8.796 1.00 0.00 H new ATOM 0 HH TYR A 23 11.097 -12.167 -6.589 1.00 0.00 H new ATOM 354 N MET A 24 2.725 -14.668 -4.576 1.00 0.00 N ATOM 355 CA MET A 24 1.367 -14.828 -4.120 1.00 0.00 C ATOM 356 C MET A 24 0.924 -13.554 -3.400 1.00 0.00 C ATOM 357 O MET A 24 0.864 -13.487 -2.171 1.00 0.00 O ATOM 358 CB MET A 24 1.239 -16.101 -3.265 1.00 0.00 C ATOM 359 CG MET A 24 1.711 -17.327 -4.059 1.00 0.00 C ATOM 360 SD MET A 24 1.312 -18.931 -3.313 1.00 0.00 S ATOM 361 CE MET A 24 2.672 -19.067 -2.120 1.00 0.00 C ATOM 0 H MET A 24 3.386 -15.223 -4.031 1.00 0.00 H new ATOM 0 HA MET A 24 0.691 -14.967 -4.964 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.832 -15.998 -2.356 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.203 -16.237 -2.956 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.269 -17.287 -5.055 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.792 -17.263 -4.187 1.00 0.00 H new ATOM 0 HE1 MET A 24 2.581 -20.003 -1.570 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.624 -19.049 -2.650 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.629 -18.230 -1.422 1.00 0.00 H new ATOM 371 N GLU A 25 0.581 -12.534 -4.192 1.00 0.00 N ATOM 372 CA GLU A 25 0.037 -11.258 -3.761 1.00 0.00 C ATOM 373 C GLU A 25 -1.222 -11.418 -2.894 1.00 0.00 C ATOM 374 O GLU A 25 -1.552 -10.518 -2.122 1.00 0.00 O ATOM 375 CB GLU A 25 -0.204 -10.424 -5.029 1.00 0.00 C ATOM 376 CG GLU A 25 -0.558 -8.976 -4.689 1.00 0.00 C ATOM 377 CD GLU A 25 -0.453 -8.011 -5.874 1.00 0.00 C ATOM 378 OE1 GLU A 25 -0.596 -8.475 -7.027 1.00 0.00 O ATOM 379 OE2 GLU A 25 -0.239 -6.811 -5.596 1.00 0.00 O ATOM 0 H GLU A 25 0.684 -12.587 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 25 0.741 -10.743 -3.108 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.689 -10.444 -5.654 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.011 -10.870 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.575 -8.944 -4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.101 -8.630 -3.893 1.00 0.00 H new ATOM 386 N SER A 26 -1.873 -12.584 -2.960 1.00 0.00 N ATOM 387 CA SER A 26 -2.932 -13.049 -2.079 1.00 0.00 C ATOM 388 C SER A 26 -2.518 -12.964 -0.605 1.00 0.00 C ATOM 389 O SER A 26 -3.325 -12.586 0.240 1.00 0.00 O ATOM 390 CB SER A 26 -3.239 -14.511 -2.437 1.00 0.00 C ATOM 391 OG SER A 26 -3.199 -14.716 -3.840 1.00 0.00 O ATOM 0 H SER A 26 -1.653 -13.270 -3.683 1.00 0.00 H new ATOM 0 HA SER A 26 -3.809 -12.416 -2.213 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.517 -15.166 -1.951 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.223 -14.782 -2.055 1.00 0.00 H new ATOM 0 HG SER A 26 -3.396 -15.655 -4.039 1.00 0.00 H new ATOM 397 N LYS A 27 -1.260 -13.303 -0.293 1.00 0.00 N ATOM 398 CA LYS A 27 -0.712 -13.228 1.054 1.00 0.00 C ATOM 399 C LYS A 27 -0.365 -11.775 1.384 1.00 0.00 C ATOM 400 O LYS A 27 -0.667 -11.279 2.467 1.00 0.00 O ATOM 401 CB LYS A 27 0.496 -14.180 1.205 1.00 0.00 C ATOM 402 CG LYS A 27 0.202 -15.595 0.656 1.00 0.00 C ATOM 403 CD LYS A 27 0.959 -16.753 1.324 1.00 0.00 C ATOM 404 CE LYS A 27 0.216 -18.086 1.176 1.00 0.00 C ATOM 405 NZ LYS A 27 -0.068 -18.429 -0.231 1.00 0.00 N ATOM 0 H LYS A 27 -0.591 -13.641 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.458 -13.561 1.776 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.354 -13.760 0.680 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.770 -14.251 2.258 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.867 -15.784 0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.433 -15.604 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.952 -16.840 0.882 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.100 -16.532 2.382 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.811 -18.881 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.722 -18.038 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.055 -18.189 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.568 -17.892 -0.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.082 -19.448 -0.377 1.00 0.00 H new ATOM 419 N CYS A 28 0.219 -11.062 0.415 1.00 0.00 N ATOM 420 CA CYS A 28 0.672 -9.687 0.546 1.00 0.00 C ATOM 421 C CYS A 28 -0.462 -8.656 0.583 1.00 0.00 C ATOM 422 O CYS A 28 -0.184 -7.481 0.800 1.00 0.00 O ATOM 423 CB CYS A 28 1.705 -9.491 -0.559 1.00 0.00 C ATOM 424 SG CYS A 28 3.080 -10.639 -0.276 1.00 0.00 S ATOM 0 H CYS A 28 0.392 -11.448 -0.513 1.00 0.00 H new ATOM 0 HA CYS A 28 1.132 -9.509 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.255 -9.674 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.065 -8.462 -0.562 1.00 0.00 H new ATOM 426 N GLN A 29 -1.735 -9.062 0.497 1.00 0.00 N ATOM 427 CA GLN A 29 -2.863 -8.161 0.763 1.00 0.00 C ATOM 428 C GLN A 29 -2.695 -7.426 2.104 1.00 0.00 C ATOM 429 O GLN A 29 -3.026 -6.245 2.194 1.00 0.00 O ATOM 430 CB GLN A 29 -4.200 -8.925 0.755 1.00 0.00 C ATOM 431 CG GLN A 29 -4.556 -9.571 -0.591 1.00 0.00 C ATOM 432 CD GLN A 29 -4.557 -8.565 -1.736 1.00 0.00 C ATOM 433 OE1 GLN A 29 -5.469 -7.762 -1.878 1.00 0.00 O ATOM 434 NE2 GLN A 29 -3.518 -8.579 -2.559 1.00 0.00 N ATOM 0 H GLN A 29 -2.010 -10.011 0.245 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.874 -7.422 -0.038 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.164 -9.702 1.518 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.998 -8.238 1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.842 -10.365 -0.810 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.539 -10.036 -0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.768 -9.257 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.468 -7.912 -3.329 1.00 0.00 H new ATOM 443 N ALA A 30 -2.112 -8.086 3.117 1.00 0.00 N ATOM 444 CA ALA A 30 -1.792 -7.475 4.403 1.00 0.00 C ATOM 445 C ALA A 30 -0.870 -6.267 4.257 1.00 0.00 C ATOM 446 O ALA A 30 -1.066 -5.248 4.910 1.00 0.00 O ATOM 447 CB ALA A 30 -1.068 -8.493 5.287 1.00 0.00 C ATOM 0 H ALA A 30 -1.849 -9.070 3.059 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.736 -7.153 4.842 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.829 -8.036 6.247 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.711 -9.359 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -0.147 -8.810 4.797 1.00 0.00 H new ATOM 453 N VAL A 31 0.172 -6.399 3.435 1.00 0.00 N ATOM 454 CA VAL A 31 1.191 -5.393 3.281 1.00 0.00 C ATOM 455 C VAL A 31 0.707 -4.305 2.310 1.00 0.00 C ATOM 456 O VAL A 31 1.049 -3.144 2.511 1.00 0.00 O ATOM 457 CB VAL A 31 2.527 -6.089 2.985 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.609 -6.668 1.587 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.732 -5.202 3.228 1.00 0.00 C ATOM 0 H VAL A 31 0.322 -7.224 2.855 1.00 0.00 H new ATOM 0 HA VAL A 31 1.385 -4.829 4.193 1.00 0.00 H new ATOM 0 HB VAL A 31 2.554 -6.912 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.579 -7.144 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.819 -7.407 1.452 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.488 -5.870 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.643 -5.755 3.000 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.671 -4.322 2.587 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.749 -4.890 4.272 1.00 0.00 H new ATOM 469 N ILE A 32 -0.171 -4.617 1.337 1.00 0.00 N ATOM 470 CA ILE A 32 -0.896 -3.589 0.603 1.00 0.00 C ATOM 471 C ILE A 32 -1.674 -2.797 1.673 1.00 0.00 C ATOM 472 O ILE A 32 -1.554 -1.576 1.768 1.00 0.00 O ATOM 473 CB ILE A 32 -1.778 -4.194 -0.530 1.00 0.00 C ATOM 474 CG1 ILE A 32 -0.995 -4.584 -1.812 1.00 0.00 C ATOM 475 CG2 ILE A 32 -2.857 -3.216 -1.025 1.00 0.00 C ATOM 476 CD1 ILE A 32 -0.326 -5.957 -1.805 1.00 0.00 C ATOM 0 H ILE A 32 -0.387 -5.572 1.050 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.233 -2.917 0.058 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.200 -5.077 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.681 -4.542 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.227 -3.830 -1.987 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.442 -3.689 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.513 -2.949 -0.197 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.381 -2.317 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.189 -6.116 -2.752 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.394 -6.007 -0.988 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -1.083 -6.730 -1.670 1.00 0.00 H new ATOM 488 N GLN A 33 -2.401 -3.477 2.561 1.00 0.00 N ATOM 489 CA GLN A 33 -3.142 -2.821 3.614 1.00 0.00 C ATOM 490 C GLN A 33 -2.230 -2.054 4.591 1.00 0.00 C ATOM 491 O GLN A 33 -2.705 -1.161 5.290 1.00 0.00 O ATOM 492 CB GLN A 33 -4.026 -3.859 4.304 1.00 0.00 C ATOM 493 CG GLN A 33 -5.135 -3.164 5.089 1.00 0.00 C ATOM 494 CD GLN A 33 -6.329 -4.080 5.297 1.00 0.00 C ATOM 495 OE1 GLN A 33 -6.667 -4.460 6.409 1.00 0.00 O ATOM 496 NE2 GLN A 33 -6.981 -4.450 4.203 1.00 0.00 N ATOM 0 H GLN A 33 -2.486 -4.493 2.562 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.780 -2.050 3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.460 -4.529 3.562 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.424 -4.472 4.975 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.750 -2.841 6.056 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.452 -2.267 4.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.675 -4.116 3.289 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.789 -5.068 4.275 1.00 0.00 H new ATOM 505 N GLU A 34 -0.921 -2.323 4.615 1.00 0.00 N ATOM 506 CA GLU A 34 0.035 -1.518 5.340 1.00 0.00 C ATOM 507 C GLU A 34 0.351 -0.195 4.618 1.00 0.00 C ATOM 508 O GLU A 34 0.374 0.872 5.241 1.00 0.00 O ATOM 509 CB GLU A 34 1.313 -2.339 5.552 1.00 0.00 C ATOM 510 CG GLU A 34 2.155 -1.627 6.600 1.00 0.00 C ATOM 511 CD GLU A 34 3.590 -1.328 6.177 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.224 -2.210 5.557 1.00 0.00 O ATOM 513 OE2 GLU A 34 4.010 -0.192 6.485 1.00 0.00 O ATOM 0 H GLU A 34 -0.504 -3.114 4.124 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.401 -1.248 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.068 -3.349 5.881 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.866 -2.433 4.617 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.666 -0.689 6.862 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.178 -2.237 7.503 1.00 0.00 H new ATOM 520 N LEU A 35 0.547 -0.256 3.295 1.00 0.00 N ATOM 521 CA LEU A 35 0.700 0.908 2.423 1.00 0.00 C ATOM 522 C LEU A 35 -0.476 1.848 2.628 1.00 0.00 C ATOM 523 O LEU A 35 -0.320 3.052 2.507 1.00 0.00 O ATOM 524 CB LEU A 35 0.782 0.531 0.926 1.00 0.00 C ATOM 525 CG LEU A 35 2.085 0.749 0.175 1.00 0.00 C ATOM 526 CD1 LEU A 35 1.880 0.464 -1.318 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.584 2.196 0.293 1.00 0.00 C ATOM 0 H LEU A 35 0.605 -1.141 2.791 1.00 0.00 H new ATOM 0 HA LEU A 35 1.641 1.388 2.693 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.527 -0.525 0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.005 1.090 0.404 1.00 0.00 H new ATOM 0 HG LEU A 35 2.818 0.074 0.618 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.818 0.622 -1.851 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.557 -0.569 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.119 1.136 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.518 2.305 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.837 2.873 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.753 2.438 1.342 1.00 0.00 H new ATOM 539 N ARG A 36 -1.642 1.297 2.956 1.00 0.00 N ATOM 540 CA ARG A 36 -2.900 1.987 3.158 1.00 0.00 C ATOM 541 C ARG A 36 -2.787 2.946 4.324 1.00 0.00 C ATOM 542 O ARG A 36 -2.969 4.150 4.167 1.00 0.00 O ATOM 543 CB ARG A 36 -3.955 0.900 3.411 1.00 0.00 C ATOM 544 CG ARG A 36 -5.218 1.064 2.590 1.00 0.00 C ATOM 545 CD ARG A 36 -5.299 0.191 1.323 1.00 0.00 C ATOM 546 NE ARG A 36 -5.587 0.947 0.090 1.00 0.00 N ATOM 547 CZ ARG A 36 -6.439 1.972 -0.063 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.408 2.203 0.820 1.00 0.00 N ATOM 549 NH2 ARG A 36 -6.330 2.802 -1.097 1.00 0.00 N ATOM 0 H ARG A 36 -1.732 0.291 3.095 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.179 2.587 2.292 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.517 -0.074 3.194 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.218 0.903 4.469 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.075 0.836 3.223 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.307 2.110 2.297 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.355 -0.340 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.073 -0.564 1.463 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.078 0.656 -0.745 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.513 1.595 1.632 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.045 2.988 0.684 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.591 2.663 -1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.985 3.577 -1.200 1.00 0.00 H new ATOM 563 N LYS A 37 -2.452 2.391 5.485 1.00 0.00 N ATOM 564 CA LYS A 37 -2.287 3.127 6.730 1.00 0.00 C ATOM 565 C LYS A 37 -1.169 4.154 6.598 1.00 0.00 C ATOM 566 O LYS A 37 -1.283 5.251 7.142 1.00 0.00 O ATOM 567 CB LYS A 37 -1.967 2.170 7.886 1.00 0.00 C ATOM 568 CG LYS A 37 -2.989 1.038 8.070 1.00 0.00 C ATOM 569 CD LYS A 37 -2.502 0.076 9.160 1.00 0.00 C ATOM 570 CE LYS A 37 -3.288 -1.239 9.161 1.00 0.00 C ATOM 571 NZ LYS A 37 -2.852 -2.134 8.072 1.00 0.00 N ATOM 0 H LYS A 37 -2.284 1.390 5.586 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.224 3.642 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.983 1.732 7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.907 2.743 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.960 1.452 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.125 0.501 7.131 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.443 -0.135 9.010 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.597 0.555 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.157 -1.741 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.352 -1.028 9.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.492 -2.952 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -2.872 -1.618 7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.884 -2.464 8.260 1.00 0.00 H new ATOM 585 N CYS A 38 -0.108 3.808 5.861 1.00 0.00 N ATOM 586 CA CYS A 38 0.934 4.752 5.527 1.00 0.00 C ATOM 587 C CYS A 38 0.363 5.867 4.661 1.00 0.00 C ATOM 588 O CYS A 38 0.585 7.035 4.935 1.00 0.00 O ATOM 589 CB CYS A 38 2.081 4.040 4.809 1.00 0.00 C ATOM 590 SG CYS A 38 3.469 5.148 4.450 1.00 0.00 S ATOM 0 H CYS A 38 0.041 2.871 5.488 1.00 0.00 H new ATOM 0 HA CYS A 38 1.327 5.191 6.444 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.432 3.211 5.424 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.712 3.612 3.877 1.00 0.00 H new ATOM 592 N CYS A 39 -0.360 5.525 3.600 1.00 0.00 N ATOM 593 CA CYS A 39 -0.809 6.481 2.606 1.00 0.00 C ATOM 594 C CYS A 39 -1.783 7.470 3.212 1.00 0.00 C ATOM 595 O CYS A 39 -1.628 8.683 3.084 1.00 0.00 O ATOM 596 CB CYS A 39 -1.431 5.705 1.464 1.00 0.00 C ATOM 597 SG CYS A 39 -2.057 6.634 0.047 1.00 0.00 S ATOM 0 H CYS A 39 -0.651 4.566 3.408 1.00 0.00 H new ATOM 0 HA CYS A 39 0.031 7.066 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.687 4.998 1.097 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.256 5.119 1.869 1.00 0.00 H new ATOM 599 N ALA A 40 -2.752 6.925 3.940 1.00 0.00 N ATOM 600 CA ALA A 40 -3.826 7.664 4.557 1.00 0.00 C ATOM 601 C ALA A 40 -3.337 8.513 5.736 1.00 0.00 C ATOM 602 O ALA A 40 -4.153 9.185 6.365 1.00 0.00 O ATOM 603 CB ALA A 40 -4.926 6.688 4.988 1.00 0.00 C ATOM 0 H ALA A 40 -2.805 5.922 4.117 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.232 8.363 3.826 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.741 7.241 5.455 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.303 6.156 4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.518 5.972 5.701 1.00 0.00 H new ATOM 609 N GLN A 41 -2.028 8.518 6.046 1.00 0.00 N ATOM 610 CA GLN A 41 -1.471 9.461 6.988 1.00 0.00 C ATOM 611 C GLN A 41 -1.387 10.854 6.366 1.00 0.00 C ATOM 612 O GLN A 41 -1.144 11.826 7.081 1.00 0.00 O ATOM 613 CB GLN A 41 -0.049 9.010 7.331 1.00 0.00 C ATOM 614 CG GLN A 41 0.327 9.164 8.793 1.00 0.00 C ATOM 615 CD GLN A 41 1.564 8.330 9.125 1.00 0.00 C ATOM 616 OE1 GLN A 41 2.697 8.796 9.034 1.00 0.00 O ATOM 617 NE2 GLN A 41 1.374 7.066 9.488 1.00 0.00 N ATOM 0 H GLN A 41 -1.348 7.871 5.648 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.105 9.499 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.064 7.963 7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.655 9.581 6.726 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.520 10.214 9.015 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.507 8.853 9.422 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.427 6.693 9.559 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.175 6.469 9.695 1.00 0.00 H new ATOM 626 N TYR A 42 -1.545 10.939 5.038 1.00 0.00 N ATOM 627 CA TYR A 42 -1.164 12.087 4.273 1.00 0.00 C ATOM 628 C TYR A 42 -2.078 12.395 3.089 1.00 0.00 C ATOM 629 O TYR A 42 -2.869 11.547 2.675 1.00 0.00 O ATOM 630 CB TYR A 42 0.205 11.762 3.676 1.00 0.00 C ATOM 631 CG TYR A 42 1.261 11.205 4.598 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.864 12.037 5.549 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.625 9.850 4.521 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.868 11.535 6.383 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.649 9.336 5.333 1.00 0.00 C ATOM 636 CZ TYR A 42 3.275 10.182 6.278 1.00 0.00 C ATOM 637 OH TYR A 42 4.170 9.671 7.167 1.00 0.00 O ATOM 0 H TYR A 42 -1.949 10.190 4.476 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.197 12.948 4.941 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.056 11.047 2.867 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.599 12.674 3.227 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.553 13.068 5.639 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.112 9.197 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.335 12.182 7.111 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.956 8.305 5.237 1.00 0.00 H new ATOM 0 HH TYR A 42 3.740 9.568 8.042 1.00 0.00 H new ATOM 647 N PRO A 43 -1.918 13.585 2.484 1.00 0.00 N ATOM 648 CA PRO A 43 -2.480 13.860 1.172 1.00 0.00 C ATOM 649 C PRO A 43 -1.653 13.080 0.135 1.00 0.00 C ATOM 650 O PRO A 43 -0.421 13.076 0.209 1.00 0.00 O ATOM 651 CB PRO A 43 -2.342 15.376 0.995 1.00 0.00 C ATOM 652 CG PRO A 43 -1.127 15.739 1.856 1.00 0.00 C ATOM 653 CD PRO A 43 -1.210 14.749 3.018 1.00 0.00 C ATOM 0 HA PRO A 43 -3.521 13.559 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.185 15.644 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.238 15.900 1.327 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.195 15.631 1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.174 16.771 2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.217 14.476 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -1.744 15.180 3.865 1.00 0.00 H new ATOM 661 N LYS A 44 -2.299 12.457 -0.864 1.00 0.00 N ATOM 662 CA LYS A 44 -1.611 11.638 -1.874 1.00 0.00 C ATOM 663 C LYS A 44 -0.422 12.334 -2.531 1.00 0.00 C ATOM 664 O LYS A 44 0.590 11.686 -2.780 1.00 0.00 O ATOM 665 CB LYS A 44 -2.593 11.068 -2.921 1.00 0.00 C ATOM 666 CG LYS A 44 -3.550 12.069 -3.608 1.00 0.00 C ATOM 667 CD LYS A 44 -2.980 12.804 -4.836 1.00 0.00 C ATOM 668 CE LYS A 44 -3.373 12.160 -6.172 1.00 0.00 C ATOM 669 NZ LYS A 44 -2.771 10.828 -6.341 1.00 0.00 N ATOM 0 H LYS A 44 -3.309 12.507 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.187 10.798 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.010 10.571 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.197 10.301 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.449 11.533 -3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.857 12.813 -2.873 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.326 13.837 -4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.893 12.831 -4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.458 12.077 -6.229 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.059 12.806 -6.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.597 10.651 -7.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.871 10.786 -5.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.419 10.104 -5.969 1.00 0.00 H new ATOM 683 N GLY A 45 -0.494 13.656 -2.731 1.00 0.00 N ATOM 684 CA GLY A 45 0.557 14.431 -3.379 1.00 0.00 C ATOM 685 C GLY A 45 1.894 14.374 -2.637 1.00 0.00 C ATOM 686 O GLY A 45 2.915 14.730 -3.220 1.00 0.00 O ATOM 0 H GLY A 45 -1.295 14.218 -2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.697 14.062 -4.395 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.237 15.470 -3.458 1.00 0.00 H new ATOM 690 N ARG A 46 1.914 13.914 -1.378 1.00 0.00 N ATOM 691 CA ARG A 46 3.145 13.737 -0.626 1.00 0.00 C ATOM 692 C ARG A 46 3.993 12.561 -1.126 1.00 0.00 C ATOM 693 O ARG A 46 5.151 12.447 -0.713 1.00 0.00 O ATOM 694 CB ARG A 46 2.814 13.618 0.881 1.00 0.00 C ATOM 695 CG ARG A 46 2.936 12.212 1.522 1.00 0.00 C ATOM 696 CD ARG A 46 3.943 12.228 2.664 1.00 0.00 C ATOM 697 NE ARG A 46 5.288 12.570 2.170 1.00 0.00 N ATOM 698 CZ ARG A 46 6.284 13.075 2.908 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.104 13.303 4.209 1.00 0.00 N ATOM 700 NH2 ARG A 46 7.459 13.339 2.341 1.00 0.00 N ATOM 0 H ARG A 46 1.073 13.657 -0.861 1.00 0.00 H new ATOM 0 HA ARG A 46 3.766 14.619 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.470 14.296 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.794 13.971 1.032 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.963 11.890 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.245 11.488 0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.633 12.951 3.418 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.966 11.252 3.149 1.00 0.00 H new ATOM 0 HE ARG A 46 5.476 12.408 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.206 13.093 4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.864 13.688 4.769 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.598 13.156 1.347 1.00 0.00 H new ATOM 0 HH22 ARG A 46 8.220 13.724 2.900 1.00 0.00 H new ATOM 714 N SER A 47 3.413 11.624 -1.891 1.00 0.00 N ATOM 715 CA SER A 47 4.049 10.361 -2.201 1.00 0.00 C ATOM 716 C SER A 47 3.596 9.817 -3.548 1.00 0.00 C ATOM 717 O SER A 47 2.421 9.853 -3.927 1.00 0.00 O ATOM 718 CB SER A 47 3.791 9.383 -1.046 1.00 0.00 C ATOM 719 OG SER A 47 3.908 8.017 -1.398 1.00 0.00 O ATOM 0 H SER A 47 2.488 11.733 -2.307 1.00 0.00 H new ATOM 0 HA SER A 47 5.125 10.506 -2.298 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.492 9.599 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.790 9.560 -0.653 1.00 0.00 H new ATOM 0 HG SER A 47 4.692 7.631 -0.954 1.00 0.00 H new ATOM 725 N VAL A 48 4.574 9.259 -4.255 1.00 0.00 N ATOM 726 CA VAL A 48 4.382 8.674 -5.563 1.00 0.00 C ATOM 727 C VAL A 48 3.591 7.379 -5.409 1.00 0.00 C ATOM 728 O VAL A 48 2.573 7.182 -6.069 1.00 0.00 O ATOM 729 CB VAL A 48 5.724 8.441 -6.286 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.424 8.203 -7.771 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.709 9.615 -6.135 1.00 0.00 C ATOM 0 H VAL A 48 5.537 9.203 -3.922 1.00 0.00 H new ATOM 0 HA VAL A 48 3.818 9.367 -6.188 1.00 0.00 H new ATOM 0 HB VAL A 48 6.209 7.578 -5.829 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.357 8.035 -8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.782 7.329 -7.877 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.919 9.076 -8.185 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.632 9.386 -6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.264 10.519 -6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.928 9.772 -5.079 1.00 0.00 H new ATOM 741 N VAL A 49 4.038 6.493 -4.514 1.00 0.00 N ATOM 742 CA VAL A 49 3.412 5.196 -4.357 1.00 0.00 C ATOM 743 C VAL A 49 1.989 5.357 -3.813 1.00 0.00 C ATOM 744 O VAL A 49 1.082 4.719 -4.336 1.00 0.00 O ATOM 745 CB VAL A 49 4.289 4.260 -3.512 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.776 4.338 -3.898 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.180 4.550 -2.016 1.00 0.00 C ATOM 0 H VAL A 49 4.830 6.659 -3.893 1.00 0.00 H new ATOM 0 HA VAL A 49 3.321 4.718 -5.332 1.00 0.00 H new ATOM 0 HB VAL A 49 3.908 3.261 -3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.351 3.657 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.896 4.056 -4.944 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.137 5.356 -3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.819 3.861 -1.464 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.497 5.574 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.146 4.422 -1.695 1.00 0.00 H new ATOM 757 N CYS A 50 1.776 6.243 -2.828 1.00 0.00 N ATOM 758 CA CYS A 50 0.473 6.536 -2.243 1.00 0.00 C ATOM 759 C CYS A 50 -0.442 7.171 -3.306 1.00 0.00 C ATOM 760 O CYS A 50 -1.655 6.965 -3.271 1.00 0.00 O ATOM 761 CB CYS A 50 0.687 7.500 -1.070 1.00 0.00 C ATOM 762 SG CYS A 50 -0.774 8.188 -0.249 1.00 0.00 S ATOM 0 H CYS A 50 2.531 6.787 -2.410 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.004 5.623 -1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.279 6.981 -0.316 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.290 8.334 -1.430 1.00 0.00 H new ATOM 764 N SER A 51 0.129 7.878 -4.298 1.00 0.00 N ATOM 765 CA SER A 51 -0.616 8.346 -5.458 1.00 0.00 C ATOM 766 C SER A 51 -1.075 7.177 -6.338 1.00 0.00 C ATOM 767 O SER A 51 -2.151 7.262 -6.929 1.00 0.00 O ATOM 768 CB SER A 51 0.192 9.377 -6.253 1.00 0.00 C ATOM 769 OG SER A 51 0.418 10.532 -5.472 1.00 0.00 O ATOM 0 H SER A 51 1.116 8.135 -4.309 1.00 0.00 H new ATOM 0 HA SER A 51 -1.515 8.846 -5.098 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.145 8.945 -6.559 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.344 9.645 -7.164 1.00 0.00 H new ATOM 0 HG SER A 51 0.915 10.288 -4.663 1.00 0.00 H new ATOM 775 N GLY A 52 -0.320 6.069 -6.379 1.00 0.00 N ATOM 776 CA GLY A 52 -0.803 4.814 -6.962 1.00 0.00 C ATOM 777 C GLY A 52 -1.908 4.222 -6.111 1.00 0.00 C ATOM 778 O GLY A 52 -2.824 3.552 -6.574 1.00 0.00 O ATOM 0 H GLY A 52 0.631 6.020 -6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.171 4.994 -7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.020 4.104 -7.044 1.00 0.00 H new ATOM 782 N PHE A 53 -1.778 4.450 -4.819 1.00 0.00 N ATOM 783 CA PHE A 53 -2.497 3.746 -3.808 1.00 0.00 C ATOM 784 C PHE A 53 -3.910 4.203 -3.526 1.00 0.00 C ATOM 785 O PHE A 53 -4.817 3.391 -3.337 1.00 0.00 O ATOM 786 CB PHE A 53 -1.626 3.808 -2.584 1.00 0.00 C ATOM 787 CG PHE A 53 -1.682 2.499 -1.942 1.00 0.00 C ATOM 788 CD1 PHE A 53 -1.169 1.391 -2.638 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.308 2.394 -0.710 1.00 0.00 C ATOM 790 CE1 PHE A 53 -1.287 0.129 -2.078 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.383 1.130 -0.153 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.910 0.017 -0.837 1.00 0.00 C ATOM 0 H PHE A 53 -1.145 5.157 -4.445 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.677 2.731 -4.162 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.601 4.059 -2.855 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -1.975 4.585 -1.903 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.689 1.521 -3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.718 3.258 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.907 -0.743 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.816 1.006 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 53 -2.028 -0.961 -0.395 1.00 0.00 H new ATOM 802 N GLU A 54 -4.116 5.508 -3.501 1.00 0.00 N ATOM 803 CA GLU A 54 -5.472 6.020 -3.491 1.00 0.00 C ATOM 804 C GLU A 54 -6.182 5.687 -4.825 1.00 0.00 C ATOM 805 O GLU A 54 -7.407 5.597 -4.835 1.00 0.00 O ATOM 806 CB GLU A 54 -5.509 7.495 -3.068 1.00 0.00 C ATOM 807 CG GLU A 54 -4.921 7.676 -1.648 1.00 0.00 C ATOM 808 CD GLU A 54 -5.633 8.786 -0.872 1.00 0.00 C ATOM 809 OE1 GLU A 54 -6.681 8.467 -0.270 1.00 0.00 O ATOM 810 OE2 GLU A 54 -5.136 9.933 -0.901 1.00 0.00 O ATOM 0 H GLU A 54 -3.382 6.216 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.057 5.513 -2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.943 8.096 -3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.536 7.858 -3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.004 6.738 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.859 7.909 -1.722 1.00 0.00 H new ATOM 817 N LYS A 55 -5.449 5.394 -5.920 1.00 0.00 N ATOM 818 CA LYS A 55 -6.015 4.849 -7.160 1.00 0.00 C ATOM 819 C LYS A 55 -6.252 3.326 -7.084 1.00 0.00 C ATOM 820 O LYS A 55 -7.152 2.817 -7.750 1.00 0.00 O ATOM 821 CB LYS A 55 -5.229 5.361 -8.390 1.00 0.00 C ATOM 822 CG LYS A 55 -4.404 4.353 -9.212 1.00 0.00 C ATOM 823 CD LYS A 55 -5.141 3.843 -10.460 1.00 0.00 C ATOM 824 CE LYS A 55 -4.294 2.815 -11.218 1.00 0.00 C ATOM 825 NZ LYS A 55 -3.047 3.400 -11.750 1.00 0.00 N ATOM 0 H LYS A 55 -4.439 5.532 -5.963 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.025 5.237 -7.295 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.943 5.833 -9.065 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.550 6.142 -8.047 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.468 4.822 -9.517 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.144 3.504 -8.579 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.090 3.393 -10.168 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.375 4.681 -11.116 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.049 1.987 -10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.878 2.401 -12.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.592 2.721 -12.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.267 4.274 -12.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.402 3.617 -10.963 1.00 0.00 H new ATOM 839 N GLU A 56 -5.525 2.600 -6.222 1.00 0.00 N ATOM 840 CA GLU A 56 -5.819 1.206 -5.844 1.00 0.00 C ATOM 841 C GLU A 56 -7.264 1.160 -5.351 1.00 0.00 C ATOM 842 O GLU A 56 -8.029 0.279 -5.727 1.00 0.00 O ATOM 843 CB GLU A 56 -4.790 0.699 -4.795 1.00 0.00 C ATOM 844 CG GLU A 56 -5.204 0.293 -3.362 1.00 0.00 C ATOM 845 CD GLU A 56 -5.476 -1.194 -3.138 1.00 0.00 C ATOM 846 OE1 GLU A 56 -5.678 -1.928 -4.126 1.00 0.00 O ATOM 847 OE2 GLU A 56 -5.500 -1.571 -1.945 1.00 0.00 O ATOM 0 H GLU A 56 -4.697 2.972 -5.757 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.722 0.530 -6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.295 -0.167 -5.235 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.036 1.480 -4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.417 0.605 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.101 0.851 -3.093 1.00 0.00 H new ATOM 854 N GLU A 57 -7.642 2.163 -4.557 1.00 0.00 N ATOM 855 CA GLU A 57 -8.991 2.298 -4.005 1.00 0.00 C ATOM 856 C GLU A 57 -10.059 2.414 -5.098 1.00 0.00 C ATOM 857 O GLU A 57 -11.162 1.899 -4.935 1.00 0.00 O ATOM 858 CB GLU A 57 -9.087 3.511 -3.070 1.00 0.00 C ATOM 859 CG GLU A 57 -10.101 3.261 -1.946 1.00 0.00 C ATOM 860 CD GLU A 57 -10.020 4.355 -0.885 1.00 0.00 C ATOM 861 OE1 GLU A 57 -9.046 4.294 -0.097 1.00 0.00 O ATOM 862 OE2 GLU A 57 -10.916 5.226 -0.877 1.00 0.00 O ATOM 0 H GLU A 57 -7.012 2.914 -4.276 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.182 1.387 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.108 3.722 -2.641 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.381 4.392 -3.641 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.108 3.225 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -9.910 2.290 -1.488 1.00 0.00 H new ATOM 869 N GLU A 58 -9.728 3.067 -6.216 1.00 0.00 N ATOM 870 CA GLU A 58 -10.560 3.066 -7.406 1.00 0.00 C ATOM 871 C GLU A 58 -10.585 1.661 -8.002 1.00 0.00 C ATOM 872 O GLU A 58 -11.669 1.135 -8.222 1.00 0.00 O ATOM 873 CB GLU A 58 -10.115 4.167 -8.394 1.00 0.00 C ATOM 874 CG GLU A 58 -10.455 3.923 -9.878 1.00 0.00 C ATOM 875 CD GLU A 58 -11.938 3.661 -10.165 1.00 0.00 C ATOM 876 OE1 GLU A 58 -12.784 4.254 -9.460 1.00 0.00 O ATOM 877 OE2 GLU A 58 -12.197 2.888 -11.114 1.00 0.00 O ATOM 0 H GLU A 58 -8.871 3.611 -6.314 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.589 3.318 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.571 5.108 -8.088 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.036 4.292 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.135 4.790 -10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.875 3.071 -10.233 1.00 0.00 H new ATOM 884 N GLU A 59 -9.423 1.037 -8.228 1.00 0.00 N ATOM 885 CA GLU A 59 -9.318 -0.312 -8.791 1.00 0.00 C ATOM 886 C GLU A 59 -10.143 -1.348 -8.021 1.00 0.00 C ATOM 887 O GLU A 59 -10.711 -2.268 -8.616 1.00 0.00 O ATOM 888 CB GLU A 59 -7.833 -0.692 -8.899 1.00 0.00 C ATOM 889 CG GLU A 59 -7.601 -2.083 -9.497 1.00 0.00 C ATOM 890 CD GLU A 59 -6.116 -2.304 -9.783 1.00 0.00 C ATOM 891 OE1 GLU A 59 -5.371 -2.519 -8.802 1.00 0.00 O ATOM 892 OE2 GLU A 59 -5.745 -2.234 -10.975 1.00 0.00 O ATOM 0 H GLU A 59 -8.518 1.461 -8.022 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.754 -0.308 -9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -7.320 0.049 -9.512 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.383 -0.652 -7.907 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.962 -2.846 -8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.174 -2.189 -10.418 1.00 0.00 H new ATOM 899 N ASN A 60 -10.261 -1.166 -6.707 1.00 0.00 N ATOM 900 CA ASN A 60 -11.032 -2.030 -5.822 1.00 0.00 C ATOM 901 C ASN A 60 -12.516 -2.072 -6.166 1.00 0.00 C ATOM 902 O ASN A 60 -13.177 -3.053 -5.827 1.00 0.00 O ATOM 903 CB ASN A 60 -10.897 -1.556 -4.377 1.00 0.00 C ATOM 904 CG ASN A 60 -9.637 -2.079 -3.699 1.00 0.00 C ATOM 905 OD1 ASN A 60 -9.701 -2.625 -2.609 1.00 0.00 O ATOM 906 ND2 ASN A 60 -8.478 -1.938 -4.322 1.00 0.00 N ATOM 0 H ASN A 60 -9.810 -0.393 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.624 -3.032 -5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.890 -0.466 -4.356 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.770 -1.880 -3.810 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.622 -2.288 -3.892 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.441 -1.480 -5.232 1.00 0.00 H new ATOM 913 N LEU A 61 -13.042 -1.050 -6.854 1.00 0.00 N ATOM 914 CA LEU A 61 -14.431 -1.043 -7.323 1.00 0.00 C ATOM 915 C LEU A 61 -14.790 -2.258 -8.194 1.00 0.00 C ATOM 916 O LEU A 61 -15.968 -2.580 -8.321 1.00 0.00 O ATOM 917 CB LEU A 61 -14.795 0.317 -7.956 1.00 0.00 C ATOM 918 CG LEU A 61 -14.631 0.594 -9.476 1.00 0.00 C ATOM 919 CD1 LEU A 61 -13.640 -0.249 -10.294 1.00 0.00 C ATOM 920 CD2 LEU A 61 -15.992 0.532 -10.186 1.00 0.00 C ATOM 0 H LEU A 61 -12.519 -0.210 -7.099 1.00 0.00 H new ATOM 0 HA LEU A 61 -15.069 -1.158 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.841 0.505 -7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -14.207 1.072 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 61 -14.182 1.587 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -13.654 0.079 -11.333 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -12.636 -0.126 -9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -13.926 -1.300 -10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -15.857 0.729 -11.250 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -16.427 -0.458 -10.052 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.659 1.282 -9.760 1.00 0.00 H new ATOM 932 N THR A 62 -13.786 -2.955 -8.743 1.00 0.00 N ATOM 933 CA THR A 62 -13.916 -4.232 -9.430 1.00 0.00 C ATOM 934 C THR A 62 -14.422 -5.298 -8.459 1.00 0.00 C ATOM 935 O THR A 62 -15.490 -5.874 -8.650 1.00 0.00 O ATOM 936 CB THR A 62 -12.560 -4.643 -10.042 1.00 0.00 C ATOM 937 OG1 THR A 62 -11.515 -4.614 -9.081 1.00 0.00 O ATOM 938 CG2 THR A 62 -12.170 -3.744 -11.212 1.00 0.00 C ATOM 0 H THR A 62 -12.822 -2.623 -8.715 1.00 0.00 H new ATOM 0 HA THR A 62 -14.640 -4.133 -10.239 1.00 0.00 H new ATOM 0 HB THR A 62 -12.692 -5.664 -10.400 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.063 -3.745 -9.116 1.00 0.00 H new ATOM 0 HG21 THR A 62 -11.210 -4.067 -11.614 1.00 0.00 H new ATOM 0 HG22 THR A 62 -12.930 -3.810 -11.990 1.00 0.00 H new ATOM 0 HG23 THR A 62 -12.091 -2.713 -10.868 1.00 0.00 H new ATOM 946 N ARG A 63 -13.629 -5.552 -7.412 1.00 0.00 N ATOM 947 CA ARG A 63 -13.926 -6.499 -6.346 1.00 0.00 C ATOM 948 C ARG A 63 -15.209 -6.100 -5.618 1.00 0.00 C ATOM 949 O ARG A 63 -16.033 -6.981 -5.376 1.00 0.00 O ATOM 950 CB ARG A 63 -12.715 -6.614 -5.397 1.00 0.00 C ATOM 951 CG ARG A 63 -12.680 -7.951 -4.637 1.00 0.00 C ATOM 952 CD ARG A 63 -13.580 -8.015 -3.393 1.00 0.00 C ATOM 953 NE ARG A 63 -13.921 -9.408 -3.067 1.00 0.00 N ATOM 954 CZ ARG A 63 -14.917 -10.125 -3.614 1.00 0.00 C ATOM 955 NH1 ARG A 63 -15.789 -9.572 -4.461 1.00 0.00 N ATOM 956 NH2 ARG A 63 -15.036 -11.420 -3.314 1.00 0.00 N ATOM 0 H ARG A 63 -12.732 -5.084 -7.285 1.00 0.00 H new ATOM 0 HA ARG A 63 -14.102 -7.487 -6.771 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -11.796 -6.504 -5.973 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -12.742 -5.794 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -12.973 -8.748 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -11.653 -8.153 -4.334 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -13.072 -7.553 -2.547 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -14.492 -7.444 -3.568 1.00 0.00 H new ATOM 0 HE ARG A 63 -13.349 -9.872 -2.361 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -15.707 -8.585 -4.705 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -16.537 -10.137 -4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.374 -11.858 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.789 -11.972 -3.725 1.00 0.00 H new ATOM 970 N LYS A 64 -15.338 -4.806 -5.288 1.00 0.00 N ATOM 971 CA LYS A 64 -16.372 -4.077 -4.542 1.00 0.00 C ATOM 972 C LYS A 64 -15.674 -2.939 -3.803 1.00 0.00 C ATOM 973 O LYS A 64 -14.722 -3.171 -3.059 1.00 0.00 O ATOM 974 CB LYS A 64 -17.109 -4.944 -3.508 1.00 0.00 C ATOM 975 CG LYS A 64 -18.415 -5.583 -4.009 1.00 0.00 C ATOM 976 CD LYS A 64 -18.802 -6.778 -3.125 1.00 0.00 C ATOM 977 CE LYS A 64 -19.152 -6.346 -1.695 1.00 0.00 C ATOM 978 NZ LYS A 64 -19.014 -7.464 -0.744 1.00 0.00 N ATOM 0 H LYS A 64 -14.611 -4.154 -5.583 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.121 -3.732 -5.255 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.438 -5.737 -3.176 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -17.334 -4.330 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -19.215 -4.843 -4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.294 -5.911 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -19.654 -7.294 -3.566 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.977 -7.490 -3.097 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.501 -5.526 -1.392 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -20.174 -5.968 -1.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.258 -7.138 0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.654 -8.236 -1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.033 -7.808 -0.753 1.00 0.00 H new ATOM 992 N SER A 65 -16.206 -1.718 -3.922 1.00 0.00 N ATOM 993 CA SER A 65 -15.652 -0.503 -3.317 1.00 0.00 C ATOM 994 C SER A 65 -15.600 -0.482 -1.793 1.00 0.00 C ATOM 995 O SER A 65 -14.896 0.309 -1.171 1.00 0.00 O ATOM 996 CB SER A 65 -16.498 0.681 -3.781 1.00 0.00 C ATOM 997 OG SER A 65 -16.796 0.586 -5.161 1.00 0.00 O ATOM 0 H SER A 65 -17.057 -1.543 -4.456 1.00 0.00 H new ATOM 0 HA SER A 65 -14.613 -0.457 -3.644 1.00 0.00 H new ATOM 0 HB2 SER A 65 -17.424 0.717 -3.208 1.00 0.00 H new ATOM 0 HB3 SER A 65 -15.965 1.611 -3.584 1.00 0.00 H new ATOM 0 HG SER A 65 -17.340 1.355 -5.432 1.00 0.00 H new ATOM 1003 N ALA A 66 -16.382 -1.381 -1.231 1.00 0.00 N ATOM 1004 CA ALA A 66 -16.549 -1.688 0.169 1.00 0.00 C ATOM 1005 C ALA A 66 -16.652 -3.205 0.362 1.00 0.00 C ATOM 1006 O ALA A 66 -17.748 -3.757 0.431 1.00 0.00 O ATOM 1007 CB ALA A 66 -17.757 -0.929 0.737 1.00 0.00 C ATOM 0 H ALA A 66 -16.977 -1.975 -1.808 1.00 0.00 H new ATOM 0 HA ALA A 66 -15.676 -1.354 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.873 -1.169 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.599 0.143 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -18.658 -1.222 0.197 1.00 0.00 H new ATOM 1013 N SER A 67 -15.501 -3.882 0.444 1.00 0.00 N ATOM 1014 CA SER A 67 -15.405 -5.296 0.787 1.00 0.00 C ATOM 1015 C SER A 67 -14.143 -5.615 1.603 1.00 0.00 C ATOM 1016 O SER A 67 -13.634 -6.736 1.541 1.00 0.00 O ATOM 1017 CB SER A 67 -15.543 -6.145 -0.484 1.00 0.00 C ATOM 1018 OG SER A 67 -15.600 -7.516 -0.155 1.00 0.00 O ATOM 0 H SER A 67 -14.594 -3.449 0.269 1.00 0.00 H new ATOM 0 HA SER A 67 -16.232 -5.555 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 67 -16.444 -5.857 -1.026 1.00 0.00 H new ATOM 0 HB3 SER A 67 -14.698 -5.958 -1.147 1.00 0.00 H new ATOM 0 HG SER A 67 -14.962 -7.707 0.564 1.00 0.00 H new ATOM 1024 N LYS A 68 -13.657 -4.636 2.375 1.00 0.00 N ATOM 1025 CA LYS A 68 -12.547 -4.756 3.310 1.00 0.00 C ATOM 1026 C LYS A 68 -12.880 -4.025 4.606 1.00 0.00 C ATOM 1027 O LYS A 68 -12.935 -4.645 5.663 1.00 0.00 O ATOM 1028 CB LYS A 68 -11.237 -4.220 2.708 1.00 0.00 C ATOM 1029 CG LYS A 68 -10.608 -5.206 1.710 1.00 0.00 C ATOM 1030 CD LYS A 68 -9.191 -4.805 1.267 1.00 0.00 C ATOM 1031 CE LYS A 68 -9.156 -3.858 0.067 1.00 0.00 C ATOM 1032 NZ LYS A 68 -9.605 -2.490 0.381 1.00 0.00 N ATOM 0 H LYS A 68 -14.051 -3.695 2.359 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.397 -5.814 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.431 -3.272 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.528 -4.016 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.572 -6.197 2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.248 -5.280 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.681 -4.331 2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.630 -5.707 1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -8.139 -3.817 -0.323 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -9.785 -4.265 -0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.222 -1.828 -0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.644 -2.453 0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -9.266 -2.222 1.327 1.00 0.00 H new TER 1046 LYS A 68 CONECT 104 590 CONECT 260 424 CONECT 424 260 CONECT 590 104 CONECT 597 762 CONECT 762 597 END