USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 555 hydrogens (0 hets) HEADER RIBOSOMAL PROTEIN 15-OCT-01 1GO1 TITLE NMR STRUCTURE OF RIBOSOMAL PROTEIN L30E FROM THERMOCOCCUS TITLE 2 CELER. COMPND MOL_ID: 1; COMPND 2 MOLECULE: 50S RIBOSOMAL PROTEIN L30E; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS CELER; SOURCE 3 ORGANISM_TAXID: 2264; SOURCE 4 ATCC: 35543; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: C41; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PRSET-A KEYWDS RIBOSOMAL PROTEIN, RNA-BINDING, RIBOSOME, THERMOPHILIC EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.-H.CHAN,M.BYCROFT,S.M.V.FREUND,K.-B.WONG REVDAT 3 24-FEB-09 1GO1 1 VERSN REVDAT 2 04-JUL-03 1GO1 1 JRNL REVDAT 1 12-JUN-03 1GO1 0 JRNL AUTH K.-B.WONG,C.-F.LEE,S.-H.CHAN,T.-Y.LEUNG,Y.W.CHEN, JRNL AUTH 2 M.BYCROFT JRNL TITL SOLUTION STRUCTURE AND THERMAL STABILITY OF JRNL TITL 2 RIBOSOMAL PROTEIN L30E FROM HYPERTHERMOPHILIC JRNL TITL 3 ARCHAEON THERMOCOCCUS CELER JRNL REF PROTEIN SCI. V. 12 1483 2003 JRNL REFN ISSN 0961-8368 JRNL PMID 12824494 JRNL DOI 10.1110/PS.0302303 REMARK 1 REFERENCE 1 REMARK 1 AUTH N.BAN,P.NISSEN,J.HANSEN,P.B.MOORE,T.A.STEITZ REMARK 1 TITL THE COMPLETE ATOMIC STRUCTURE OF THE LARGE REMARK 1 TITL 2 RIBOSOMAL SUBUNIT AT 2.4 A RESOLUTION REMARK 1 REF SCIENCE V. 289 905 2000 REMARK 1 REFN ISSN 0036-8075 REMARK 1 PMID 10937989 REMARK 1 DOI 10.1126/SCIENCE.289.5481.905 REMARK 1 REFERENCE 2 REMARK 1 AUTH H.MAO,J.R.WILLAMSON REMARK 1 TITL LOCAL FOLDING COUPLED TO RNA BINDING IN THE YEAST REMARK 1 TITL 2 RIBOSOMAL PROTEIN L30 REMARK 1 REF J.MOL.BIOL. V. 292 345 1999 REMARK 1 REFN ISSN 0022-2836 REMARK 1 PMID 10493880 REMARK 1 DOI 10.1006/JMBI.1999.3044 REMARK 1 REFERENCE 3 REMARK 1 AUTH H.MAO,S.A.WHITE,J.R.WILLAMSON REMARK 1 TITL A NOVEL LOOP-LOOP RECOGNITION MOTIF IN THE YEAST REMARK 1 TITL 2 RIBOSOMAL PROTEIN L30 AUTOREGULATORY RNA COMPLEX REMARK 1 REF NAT.STRUCT.BIOL. V. 6 1139 1999 REMARK 1 REFN ISSN 1072-8368 REMARK 1 PMID 10581556 REMARK 1 DOI 10.1038/70081 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.1 REMARK 3 AUTHORS : BRUNGER ET AL., LINGE ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1GO1 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 15-OCT-01. REMARK 100 THE PDBE ID CODE IS EBI-8699. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 5.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 20MM SODIUM ACETATE, REMARK 210 0.5M NA2SO4 REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, REMARK 210 15N-NOESY-HSQC, REMARK 210 13C-NOESY-HSQC, REMARK 210 13C-HSQC-NOESY-HSQC, REMARK 210 HNCA, HN(CO)CA, HNCACB, REMARK 210 CBCA(CO)NH, HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500; 600 REMARK 210 SPECTROMETER MODEL : AMX500; DRX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, NMRVIEW, CNS, REMARK 210 ARIA REMARK 210 METHOD USED : SIMULATED ANNEALING USING REMARK 210 AMBIGUOUS NOES REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 400 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE REMARK 210 STRUCTURE OF BEST 10 STRUCTURES REMARK 210 WITH THE LOWEST ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: MINIMIZED AVERAGE STRUCTURE. THE STRUCTUER WAS REMARK 210 DETERMINED USING TRIPLE-RESONANCE NMR EXPERIMENTS ON 13C/ REMARK 210 15N LABELLED SAMPLE 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 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 PHE A 3 -47.19 73.33 REMARK 500 ARG A 92 55.63 -97.40 REMARK 500 LYS A 99 149.74 67.39 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1GO0 RELATED DB: PDB REMARK 900 NMR STRUCTURE OF RIBOSOMAL PROTEIN L30E FROM REMARK 900 THERMOCOCCUS CELER. REMARK 900 RELATED ID: 1H7M RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF RIBOSOMAL PROTEIN L30E REMARK 900 FROM THERMOCOCCUS CELER. DBREF 1GO1 A -2 -1 PDB 1GO1 1GO1 -2 -1 DBREF 1GO1 A 1 100 UNP P29160 RL3E_THECE 2 101 SEQRES 1 A 102 GLY SER VAL ASP PHE ALA PHE GLU LEU ARG LYS ALA GLN SEQRES 2 A 102 ASP THR GLY LYS ILE VAL MET GLY ALA ARG LYS SER ILE SEQRES 3 A 102 GLN TYR ALA LYS MET GLY GLY ALA LYS LEU ILE ILE VAL SEQRES 4 A 102 ALA ARG ASN ALA ARG PRO ASP ILE LYS GLU ASP ILE GLU SEQRES 5 A 102 TYR TYR ALA ARG LEU SER GLY ILE PRO VAL TYR GLU PHE SEQRES 6 A 102 GLU GLY THR SER VAL GLU LEU GLY THR LEU LEU GLY ARG SEQRES 7 A 102 PRO HIS THR VAL SER ALA LEU ALA VAL VAL ASP PRO GLY SEQRES 8 A 102 GLU SER ARG ILE LEU ALA LEU GLY GLY LYS GLU HELIX 1 1 PHE A 3 GLY A 14 1 12 HELIX 2 2 GLY A 19 GLY A 30 1 12 HELIX 3 3 ARG A 42 GLY A 57 1 16 HELIX 4 4 THR A 66 GLY A 75 1 10 HELIX 5 5 ILE A 93 GLY A 98 1 6 SHEET 1 AA 4 LYS A 15 MET A 18 0 SHEET 2 AA 4 ALA A 82 ASP A 87 -1 O ALA A 84 N VAL A 17 SHEET 3 AA 4 LEU A 34 ALA A 38 -1 O LEU A 34 N VAL A 85 SHEET 4 AA 4 VAL A 60 PHE A 63 1 O TYR A 61 N VAL A 37 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 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot -56:sc= 0.364 USER MOD Single : A -2 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 80:sc= 0.209 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00384) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 86:sc= 0.617 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 163:sc= 0 (180deg=-0.0619) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.0007 X(o=-0.0007,f=-0.088) USER MOD Single : A 46 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.017) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -85:sc= 0.0857 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 77:sc= 0.826 USER MOD Single : A 78 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0046) USER MOD Single : A 79 THR OG1 : rot 43:sc= 0.358 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -55:sc= -0.183 USER MOD Single : A 99 LYS NZ :NH3+ 164:sc= 0.233 (180deg=0.0531) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 9.260 7.318 -13.903 1.00 7.54 N ATOM 2 CA GLY A -2 10.683 7.497 -14.321 1.00 6.84 C ATOM 3 C GLY A -2 11.637 6.562 -13.589 1.00 5.98 C ATOM 4 O GLY A -2 12.393 7.011 -12.721 1.00 5.92 O ATOM 0 H1 GLY A -2 8.657 7.979 -14.433 1.00 7.54 H new ATOM 0 H2 GLY A -2 8.960 6.342 -14.100 1.00 7.54 H new ATOM 0 H3 GLY A -2 9.171 7.508 -12.884 1.00 7.54 H new ATOM 0 HA2 GLY A -2 10.766 7.325 -15.394 1.00 6.84 H new ATOM 0 HA3 GLY A -2 10.983 8.529 -14.139 1.00 6.84 H new ATOM 10 N SER A -1 11.591 5.247 -13.941 1.00 5.63 N ATOM 11 CA SER A -1 12.441 4.195 -13.327 1.00 5.13 C ATOM 12 C SER A -1 12.342 4.186 -11.778 1.00 4.14 C ATOM 13 O SER A -1 13.353 4.042 -11.073 1.00 4.20 O ATOM 14 CB SER A -1 13.904 4.336 -13.799 1.00 5.89 C ATOM 15 OG SER A -1 14.681 3.221 -13.393 1.00 6.58 O ATOM 0 H SER A -1 10.962 4.889 -14.660 1.00 5.63 H new ATOM 0 HA SER A -1 12.062 3.231 -13.666 1.00 5.13 H new ATOM 0 HB2 SER A -1 13.932 4.427 -14.885 1.00 5.89 H new ATOM 0 HB3 SER A -1 14.334 5.251 -13.392 1.00 5.89 H new ATOM 0 HG SER A -1 14.616 3.113 -12.421 1.00 6.58 H new ATOM 19 N VAL A 1 11.101 4.343 -11.259 1.00 3.59 N ATOM 20 CA VAL A 1 10.839 4.357 -9.803 1.00 2.90 C ATOM 21 C VAL A 1 11.266 3.018 -9.157 1.00 2.46 C ATOM 22 O VAL A 1 10.723 1.960 -9.501 1.00 2.65 O ATOM 23 CB VAL A 1 9.335 4.686 -9.461 1.00 2.83 C ATOM 24 CG1 VAL A 1 9.001 6.142 -9.811 1.00 2.99 C ATOM 25 CG2 VAL A 1 8.337 3.717 -10.143 1.00 3.50 C ATOM 0 H VAL A 1 10.265 4.462 -11.830 1.00 3.59 H new ATOM 0 HA VAL A 1 11.443 5.161 -9.381 1.00 2.90 H new ATOM 0 HB VAL A 1 9.224 4.546 -8.386 1.00 2.83 H new ATOM 0 HG11 VAL A 1 7.958 6.345 -9.566 1.00 2.99 H new ATOM 0 HG12 VAL A 1 9.645 6.810 -9.239 1.00 2.99 H new ATOM 0 HG13 VAL A 1 9.162 6.306 -10.876 1.00 2.99 H new ATOM 0 HG21 VAL A 1 7.318 3.993 -9.871 1.00 3.50 H new ATOM 0 HG22 VAL A 1 8.453 3.778 -11.225 1.00 3.50 H new ATOM 0 HG23 VAL A 1 8.537 2.697 -9.814 1.00 3.50 H new ATOM 35 N ASP A 2 12.271 3.073 -8.245 1.00 2.28 N ATOM 36 CA ASP A 2 12.800 1.865 -7.572 1.00 1.96 C ATOM 37 C ASP A 2 11.713 1.158 -6.743 1.00 1.39 C ATOM 38 O ASP A 2 11.543 -0.055 -6.886 1.00 2.12 O ATOM 39 CB ASP A 2 14.029 2.202 -6.689 1.00 2.27 C ATOM 40 CG ASP A 2 14.832 0.968 -6.276 1.00 2.32 C ATOM 41 OD1 ASP A 2 15.407 0.306 -7.167 1.00 2.52 O ATOM 42 OD2 ASP A 2 14.878 0.666 -5.065 1.00 2.66 O ATOM 0 H ASP A 2 12.728 3.940 -7.962 1.00 2.28 H new ATOM 0 HA ASP A 2 13.124 1.178 -8.354 1.00 1.96 H new ATOM 0 HB2 ASP A 2 14.681 2.887 -7.232 1.00 2.27 H new ATOM 0 HB3 ASP A 2 13.692 2.725 -5.794 1.00 2.27 H new ATOM 45 N PHE A 3 10.980 1.926 -5.879 1.00 0.94 N ATOM 46 CA PHE A 3 9.884 1.404 -5.010 1.00 0.64 C ATOM 47 C PHE A 3 10.409 0.559 -3.807 1.00 0.52 C ATOM 48 O PHE A 3 9.955 0.771 -2.675 1.00 0.46 O ATOM 49 CB PHE A 3 8.826 0.629 -5.853 1.00 1.16 C ATOM 50 CG PHE A 3 7.612 0.142 -5.083 1.00 0.79 C ATOM 51 CD1 PHE A 3 6.499 0.954 -4.898 1.00 0.87 C ATOM 52 CD2 PHE A 3 7.593 -1.136 -4.546 1.00 0.86 C ATOM 53 CE1 PHE A 3 5.402 0.497 -4.196 1.00 1.16 C ATOM 54 CE2 PHE A 3 6.503 -1.592 -3.848 1.00 0.71 C ATOM 55 CZ PHE A 3 5.406 -0.779 -3.670 1.00 0.99 C ATOM 0 H PHE A 3 11.136 2.928 -5.768 1.00 0.94 H new ATOM 0 HA PHE A 3 9.391 2.270 -4.567 1.00 0.64 H new ATOM 0 HB2 PHE A 3 8.487 1.275 -6.663 1.00 1.16 H new ATOM 0 HB3 PHE A 3 9.312 -0.231 -6.314 1.00 1.16 H new ATOM 0 HD1 PHE A 3 6.493 1.953 -5.308 1.00 0.87 H new ATOM 0 HD2 PHE A 3 8.448 -1.782 -4.679 1.00 0.86 H new ATOM 0 HE1 PHE A 3 4.543 1.136 -4.059 1.00 1.16 H new ATOM 0 HE2 PHE A 3 6.506 -2.591 -3.437 1.00 0.71 H new ATOM 0 HZ PHE A 3 4.550 -1.139 -3.119 1.00 0.99 H new ATOM 63 N ALA A 4 11.349 -0.395 -4.055 1.00 0.56 N ATOM 64 CA ALA A 4 11.929 -1.274 -3.005 1.00 0.55 C ATOM 65 C ALA A 4 12.578 -0.472 -1.851 1.00 0.57 C ATOM 66 O ALA A 4 12.254 -0.705 -0.670 1.00 0.54 O ATOM 67 CB ALA A 4 12.961 -2.217 -3.642 1.00 0.64 C ATOM 0 H ALA A 4 11.724 -0.574 -4.987 1.00 0.56 H new ATOM 0 HA ALA A 4 11.113 -1.850 -2.568 1.00 0.55 H new ATOM 0 HB1 ALA A 4 13.387 -2.862 -2.874 1.00 0.64 H new ATOM 0 HB2 ALA A 4 12.474 -2.829 -4.401 1.00 0.64 H new ATOM 0 HB3 ALA A 4 13.755 -1.629 -4.104 1.00 0.64 H new ATOM 73 N PHE A 5 13.465 0.498 -2.209 1.00 0.62 N ATOM 74 CA PHE A 5 14.150 1.376 -1.225 1.00 0.66 C ATOM 75 C PHE A 5 13.126 2.227 -0.431 1.00 0.59 C ATOM 76 O PHE A 5 13.282 2.409 0.783 1.00 0.57 O ATOM 77 CB PHE A 5 15.188 2.284 -1.940 1.00 0.79 C ATOM 78 CG PHE A 5 16.137 3.036 -1.011 1.00 0.85 C ATOM 79 CD1 PHE A 5 17.114 2.358 -0.283 1.00 1.04 C ATOM 80 CD2 PHE A 5 16.050 4.419 -0.868 1.00 1.20 C ATOM 81 CE1 PHE A 5 17.971 3.040 0.558 1.00 1.46 C ATOM 82 CE2 PHE A 5 16.909 5.100 -0.027 1.00 1.56 C ATOM 83 CZ PHE A 5 17.869 4.410 0.686 1.00 1.65 C ATOM 0 H PHE A 5 13.721 0.690 -3.177 1.00 0.62 H new ATOM 0 HA PHE A 5 14.679 0.743 -0.513 1.00 0.66 H new ATOM 0 HB2 PHE A 5 15.779 1.669 -2.618 1.00 0.79 H new ATOM 0 HB3 PHE A 5 14.653 3.010 -2.552 1.00 0.79 H new ATOM 0 HD1 PHE A 5 17.202 1.286 -0.378 1.00 1.04 H new ATOM 0 HD2 PHE A 5 15.301 4.966 -1.422 1.00 1.20 H new ATOM 0 HE1 PHE A 5 18.722 2.500 1.116 1.00 1.46 H new ATOM 0 HE2 PHE A 5 16.829 6.172 0.073 1.00 1.56 H new ATOM 0 HZ PHE A 5 18.540 4.942 1.344 1.00 1.65 H new ATOM 91 N GLU A 6 12.066 2.714 -1.130 1.00 0.57 N ATOM 92 CA GLU A 6 10.988 3.520 -0.510 1.00 0.53 C ATOM 93 C GLU A 6 10.179 2.691 0.521 1.00 0.49 C ATOM 94 O GLU A 6 9.834 3.218 1.583 1.00 0.49 O ATOM 95 CB GLU A 6 10.040 4.107 -1.599 1.00 0.57 C ATOM 96 CG GLU A 6 10.479 5.457 -2.183 1.00 0.70 C ATOM 97 CD GLU A 6 11.785 5.403 -2.967 1.00 1.42 C ATOM 98 OE1 GLU A 6 11.784 4.853 -4.088 1.00 2.09 O ATOM 99 OE2 GLU A 6 12.803 5.919 -2.460 1.00 1.97 O ATOM 0 H GLU A 6 11.938 2.559 -2.130 1.00 0.57 H new ATOM 0 HA GLU A 6 11.461 4.345 0.022 1.00 0.53 H new ATOM 0 HB2 GLU A 6 9.956 3.386 -2.413 1.00 0.57 H new ATOM 0 HB3 GLU A 6 9.045 4.221 -1.170 1.00 0.57 H new ATOM 0 HG2 GLU A 6 9.691 5.831 -2.837 1.00 0.70 H new ATOM 0 HG3 GLU A 6 10.586 6.175 -1.370 1.00 0.70 H new ATOM 102 N LEU A 7 9.892 1.390 0.213 1.00 0.49 N ATOM 103 CA LEU A 7 9.133 0.508 1.142 1.00 0.51 C ATOM 104 C LEU A 7 9.953 0.184 2.409 1.00 0.53 C ATOM 105 O LEU A 7 9.426 0.315 3.523 1.00 0.56 O ATOM 106 CB LEU A 7 8.693 -0.826 0.462 1.00 0.56 C ATOM 107 CG LEU A 7 7.319 -0.857 -0.271 1.00 0.79 C ATOM 108 CD1 LEU A 7 7.009 -2.288 -0.728 1.00 1.43 C ATOM 109 CD2 LEU A 7 6.163 -0.323 0.599 1.00 1.45 C ATOM 0 H LEU A 7 10.172 0.939 -0.658 1.00 0.49 H new ATOM 0 HA LEU A 7 8.239 1.064 1.423 1.00 0.51 H new ATOM 0 HB2 LEU A 7 9.462 -1.102 -0.259 1.00 0.56 H new ATOM 0 HB3 LEU A 7 8.680 -1.602 1.227 1.00 0.56 H new ATOM 0 HG LEU A 7 7.400 -0.194 -1.133 1.00 0.79 H new ATOM 0 HD11 LEU A 7 6.047 -2.306 -1.240 1.00 1.43 H new ATOM 0 HD12 LEU A 7 7.789 -2.630 -1.408 1.00 1.43 H new ATOM 0 HD13 LEU A 7 6.970 -2.947 0.140 1.00 1.43 H new ATOM 0 HD21 LEU A 7 5.232 -0.369 0.035 1.00 1.45 H new ATOM 0 HD22 LEU A 7 6.073 -0.932 1.498 1.00 1.45 H new ATOM 0 HD23 LEU A 7 6.366 0.710 0.880 1.00 1.45 H new ATOM 119 N ARG A 8 11.244 -0.230 2.243 1.00 0.56 N ATOM 120 CA ARG A 8 12.114 -0.555 3.412 1.00 0.62 C ATOM 121 C ARG A 8 12.396 0.697 4.280 1.00 0.60 C ATOM 122 O ARG A 8 12.413 0.596 5.511 1.00 0.63 O ATOM 123 CB ARG A 8 13.428 -1.265 2.998 1.00 0.70 C ATOM 124 CG ARG A 8 14.330 -0.499 2.020 1.00 1.30 C ATOM 125 CD ARG A 8 15.619 -1.260 1.685 1.00 1.61 C ATOM 126 NE ARG A 8 15.371 -2.523 0.950 1.00 1.92 N ATOM 127 CZ ARG A 8 15.265 -3.768 1.495 1.00 2.84 C ATOM 128 NH1 ARG A 8 15.351 -3.980 2.823 1.00 3.51 N ATOM 129 NH2 ARG A 8 15.059 -4.816 0.689 1.00 3.56 N ATOM 0 H ARG A 8 11.695 -0.344 1.335 1.00 0.56 H new ATOM 0 HA ARG A 8 11.556 -1.264 4.024 1.00 0.62 H new ATOM 0 HB2 ARG A 8 14.002 -1.477 3.900 1.00 0.70 H new ATOM 0 HB3 ARG A 8 13.173 -2.225 2.549 1.00 0.70 H new ATOM 0 HG2 ARG A 8 13.779 -0.304 1.100 1.00 1.30 H new ATOM 0 HG3 ARG A 8 14.586 0.469 2.450 1.00 1.30 H new ATOM 0 HD2 ARG A 8 16.268 -0.620 1.087 1.00 1.61 H new ATOM 0 HD3 ARG A 8 16.154 -1.482 2.608 1.00 1.61 H new ATOM 0 HE ARG A 8 15.270 -2.454 -0.063 1.00 1.92 H new ATOM 0 HH11 ARG A 8 15.500 -3.194 3.456 1.00 3.51 H new ATOM 0 HH12 ARG A 8 15.267 -4.926 3.195 1.00 3.51 H new ATOM 0 HH21 ARG A 8 14.983 -4.677 -0.319 1.00 3.56 H new ATOM 0 HH22 ARG A 8 14.978 -5.754 1.082 1.00 3.56 H new ATOM 137 N LYS A 9 12.569 1.880 3.628 1.00 0.56 N ATOM 138 CA LYS A 9 12.793 3.164 4.345 1.00 0.56 C ATOM 139 C LYS A 9 11.502 3.611 5.083 1.00 0.50 C ATOM 140 O LYS A 9 11.584 4.132 6.200 1.00 0.50 O ATOM 141 CB LYS A 9 13.260 4.278 3.369 1.00 0.60 C ATOM 142 CG LYS A 9 14.746 4.199 2.950 1.00 1.06 C ATOM 143 CD LYS A 9 15.616 5.308 3.573 1.00 1.67 C ATOM 144 CE LYS A 9 15.942 5.052 5.049 1.00 2.14 C ATOM 145 NZ LYS A 9 16.787 6.133 5.639 1.00 2.75 N ATOM 0 H LYS A 9 12.557 1.969 2.612 1.00 0.56 H new ATOM 0 HA LYS A 9 13.581 3.000 5.080 1.00 0.56 H new ATOM 0 HB2 LYS A 9 12.642 4.236 2.472 1.00 0.60 H new ATOM 0 HB3 LYS A 9 13.080 5.247 3.835 1.00 0.60 H new ATOM 0 HG2 LYS A 9 15.146 3.227 3.239 1.00 1.06 H new ATOM 0 HG3 LYS A 9 14.814 4.261 1.864 1.00 1.06 H new ATOM 0 HD2 LYS A 9 16.546 5.393 3.010 1.00 1.67 H new ATOM 0 HD3 LYS A 9 15.099 6.263 3.481 1.00 1.67 H new ATOM 0 HE2 LYS A 9 15.014 4.970 5.615 1.00 2.14 H new ATOM 0 HE3 LYS A 9 16.459 4.097 5.144 1.00 2.14 H new ATOM 0 HZ1 LYS A 9 16.981 5.916 6.637 1.00 2.75 H new ATOM 0 HZ2 LYS A 9 17.685 6.196 5.117 1.00 2.75 H new ATOM 0 HZ3 LYS A 9 16.285 7.041 5.573 1.00 2.75 H new ATOM 151 N ALA A 10 10.310 3.383 4.455 1.00 0.47 N ATOM 152 CA ALA A 10 8.997 3.740 5.057 1.00 0.44 C ATOM 153 C ALA A 10 8.648 2.841 6.268 1.00 0.45 C ATOM 154 O ALA A 10 8.071 3.327 7.243 1.00 0.47 O ATOM 155 CB ALA A 10 7.874 3.672 4.014 1.00 0.44 C ATOM 0 H ALA A 10 10.237 2.954 3.533 1.00 0.47 H new ATOM 0 HA ALA A 10 9.086 4.766 5.415 1.00 0.44 H new ATOM 0 HB1 ALA A 10 6.926 3.938 4.482 1.00 0.44 H new ATOM 0 HB2 ALA A 10 8.087 4.370 3.204 1.00 0.44 H new ATOM 0 HB3 ALA A 10 7.810 2.660 3.614 1.00 0.44 H new ATOM 161 N GLN A 11 9.006 1.531 6.197 1.00 0.47 N ATOM 162 CA GLN A 11 8.738 0.560 7.293 1.00 0.53 C ATOM 163 C GLN A 11 9.723 0.733 8.480 1.00 0.58 C ATOM 164 O GLN A 11 9.336 0.504 9.631 1.00 0.63 O ATOM 165 CB GLN A 11 8.793 -0.894 6.753 1.00 0.59 C ATOM 166 CG GLN A 11 8.104 -1.933 7.644 1.00 1.07 C ATOM 167 CD GLN A 11 8.152 -3.344 7.060 1.00 1.69 C ATOM 168 OE1 GLN A 11 9.147 -4.050 7.221 1.00 2.18 O ATOM 169 NE2 GLN A 11 7.085 -3.766 6.374 1.00 2.44 N ATOM 0 H GLN A 11 9.481 1.123 5.392 1.00 0.47 H new ATOM 0 HA GLN A 11 7.736 0.764 7.670 1.00 0.53 H new ATOM 0 HB2 GLN A 11 8.332 -0.918 5.766 1.00 0.59 H new ATOM 0 HB3 GLN A 11 9.837 -1.180 6.624 1.00 0.59 H new ATOM 0 HG2 GLN A 11 8.579 -1.935 8.625 1.00 1.07 H new ATOM 0 HG3 GLN A 11 7.064 -1.643 7.794 1.00 1.07 H new ATOM 0 HE21 GLN A 11 6.277 -3.154 6.260 1.00 2.44 H new ATOM 0 HE22 GLN A 11 7.079 -4.700 5.964 1.00 2.44 H new ATOM 174 N ASP A 12 10.988 1.130 8.190 1.00 0.61 N ATOM 175 CA ASP A 12 12.029 1.327 9.228 1.00 0.73 C ATOM 176 C ASP A 12 11.875 2.692 9.951 1.00 0.68 C ATOM 177 O ASP A 12 11.921 2.739 11.185 1.00 0.73 O ATOM 178 CB ASP A 12 13.439 1.195 8.593 1.00 0.92 C ATOM 179 CG ASP A 12 14.557 1.030 9.616 1.00 0.95 C ATOM 180 OD1 ASP A 12 14.827 -0.120 10.021 1.00 1.32 O ATOM 181 OD2 ASP A 12 15.157 2.052 10.008 1.00 1.43 O ATOM 0 H ASP A 12 11.311 1.320 7.242 1.00 0.61 H new ATOM 0 HA ASP A 12 11.903 0.551 9.983 1.00 0.73 H new ATOM 0 HB2 ASP A 12 13.446 0.339 7.919 1.00 0.92 H new ATOM 0 HB3 ASP A 12 13.640 2.079 7.988 1.00 0.92 H new ATOM 184 N THR A 13 11.706 3.795 9.175 1.00 0.64 N ATOM 185 CA THR A 13 11.562 5.161 9.736 1.00 0.68 C ATOM 186 C THR A 13 10.098 5.470 10.135 1.00 0.58 C ATOM 187 O THR A 13 9.847 5.866 11.280 1.00 0.95 O ATOM 188 CB THR A 13 12.082 6.250 8.732 1.00 0.96 C ATOM 189 OG1 THR A 13 13.284 5.797 8.091 1.00 1.96 O ATOM 190 CG2 THR A 13 12.371 7.586 9.424 1.00 1.02 C ATOM 0 H THR A 13 11.666 3.762 8.156 1.00 0.64 H new ATOM 0 HA THR A 13 12.175 5.193 10.637 1.00 0.68 H new ATOM 0 HB THR A 13 11.291 6.406 7.998 1.00 0.96 H new ATOM 0 HG1 THR A 13 13.055 5.181 7.364 1.00 1.96 H new ATOM 0 HG21 THR A 13 12.728 8.307 8.689 1.00 1.02 H new ATOM 0 HG22 THR A 13 11.458 7.961 9.886 1.00 1.02 H new ATOM 0 HG23 THR A 13 13.133 7.442 10.190 1.00 1.02 H new ATOM 198 N GLY A 14 9.147 5.302 9.182 1.00 0.59 N ATOM 199 CA GLY A 14 7.728 5.579 9.435 1.00 0.55 C ATOM 200 C GLY A 14 6.949 4.356 9.924 1.00 0.50 C ATOM 201 O GLY A 14 7.419 3.650 10.824 1.00 0.64 O ATOM 0 H GLY A 14 9.346 4.976 8.236 1.00 0.59 H new ATOM 0 HA2 GLY A 14 7.647 6.373 10.177 1.00 0.55 H new ATOM 0 HA3 GLY A 14 7.269 5.951 8.519 1.00 0.55 H new ATOM 205 N LYS A 15 5.749 4.113 9.333 1.00 0.47 N ATOM 206 CA LYS A 15 4.885 2.971 9.712 1.00 0.55 C ATOM 207 C LYS A 15 4.146 2.390 8.484 1.00 0.41 C ATOM 208 O LYS A 15 3.613 3.150 7.664 1.00 0.42 O ATOM 209 CB LYS A 15 3.864 3.412 10.793 1.00 0.85 C ATOM 210 CG LYS A 15 3.396 2.280 11.723 1.00 1.63 C ATOM 211 CD LYS A 15 2.189 2.676 12.593 1.00 2.21 C ATOM 212 CE LYS A 15 2.538 3.671 13.712 1.00 2.74 C ATOM 213 NZ LYS A 15 3.386 3.069 14.788 1.00 3.52 N ATOM 0 H LYS A 15 5.361 4.696 8.591 1.00 0.47 H new ATOM 0 HA LYS A 15 5.523 2.187 10.119 1.00 0.55 H new ATOM 0 HB2 LYS A 15 4.311 4.201 11.397 1.00 0.85 H new ATOM 0 HB3 LYS A 15 2.993 3.843 10.299 1.00 0.85 H new ATOM 0 HG2 LYS A 15 3.134 1.409 11.122 1.00 1.63 H new ATOM 0 HG3 LYS A 15 4.222 1.984 12.370 1.00 1.63 H new ATOM 0 HD2 LYS A 15 1.420 3.113 11.956 1.00 2.21 H new ATOM 0 HD3 LYS A 15 1.761 1.777 13.037 1.00 2.21 H new ATOM 0 HE2 LYS A 15 3.060 4.525 13.281 1.00 2.74 H new ATOM 0 HE3 LYS A 15 1.616 4.051 14.153 1.00 2.74 H new ATOM 0 HZ1 LYS A 15 3.560 3.777 15.530 1.00 3.52 H new ATOM 0 HZ2 LYS A 15 2.895 2.250 15.199 1.00 3.52 H new ATOM 0 HZ3 LYS A 15 4.293 2.761 14.384 1.00 3.52 H new ATOM 219 N ILE A 16 4.114 1.037 8.378 1.00 0.40 N ATOM 220 CA ILE A 16 3.437 0.325 7.267 1.00 0.37 C ATOM 221 C ILE A 16 2.496 -0.758 7.843 1.00 0.38 C ATOM 222 O ILE A 16 2.937 -1.604 8.633 1.00 0.48 O ATOM 223 CB ILE A 16 4.471 -0.335 6.267 1.00 0.51 C ATOM 224 CG1 ILE A 16 5.520 0.701 5.750 1.00 0.59 C ATOM 225 CG2 ILE A 16 3.769 -1.041 5.082 1.00 0.63 C ATOM 226 CD1 ILE A 16 4.984 1.835 4.878 1.00 0.99 C ATOM 0 H ILE A 16 4.554 0.414 9.056 1.00 0.40 H new ATOM 0 HA ILE A 16 2.860 1.058 6.703 1.00 0.37 H new ATOM 0 HB ILE A 16 5.003 -1.098 6.835 1.00 0.51 H new ATOM 0 HG12 ILE A 16 6.019 1.141 6.613 1.00 0.59 H new ATOM 0 HG13 ILE A 16 6.279 0.163 5.182 1.00 0.59 H new ATOM 0 HG21 ILE A 16 4.519 -1.479 4.423 1.00 0.63 H new ATOM 0 HG22 ILE A 16 3.117 -1.827 5.462 1.00 0.63 H new ATOM 0 HG23 ILE A 16 3.176 -0.315 4.525 1.00 0.63 H new ATOM 0 HD11 ILE A 16 5.806 2.487 4.582 1.00 0.99 H new ATOM 0 HD12 ILE A 16 4.513 1.418 3.988 1.00 0.99 H new ATOM 0 HD13 ILE A 16 4.249 2.411 5.441 1.00 0.99 H new ATOM 236 N VAL A 17 1.207 -0.727 7.427 1.00 0.36 N ATOM 237 CA VAL A 17 0.192 -1.705 7.878 1.00 0.37 C ATOM 238 C VAL A 17 -0.101 -2.690 6.723 1.00 0.37 C ATOM 239 O VAL A 17 -0.910 -2.390 5.835 1.00 0.59 O ATOM 240 CB VAL A 17 -1.131 -0.997 8.371 1.00 0.51 C ATOM 241 CG1 VAL A 17 -2.135 -2.004 8.967 1.00 0.83 C ATOM 242 CG2 VAL A 17 -0.821 0.113 9.391 1.00 1.04 C ATOM 0 H VAL A 17 0.846 -0.030 6.776 1.00 0.36 H new ATOM 0 HA VAL A 17 0.587 -2.251 8.734 1.00 0.37 H new ATOM 0 HB VAL A 17 -1.593 -0.544 7.493 1.00 0.51 H new ATOM 0 HG11 VAL A 17 -3.030 -1.475 9.294 1.00 0.83 H new ATOM 0 HG12 VAL A 17 -2.404 -2.741 8.210 1.00 0.83 H new ATOM 0 HG13 VAL A 17 -1.681 -2.509 9.819 1.00 0.83 H new ATOM 0 HG21 VAL A 17 -1.751 0.582 9.712 1.00 1.04 H new ATOM 0 HG22 VAL A 17 -0.315 -0.318 10.255 1.00 1.04 H new ATOM 0 HG23 VAL A 17 -0.177 0.862 8.929 1.00 1.04 H new ATOM 252 N MET A 18 0.581 -3.861 6.737 1.00 0.32 N ATOM 253 CA MET A 18 0.416 -4.894 5.686 1.00 0.42 C ATOM 254 C MET A 18 -0.797 -5.810 5.973 1.00 0.63 C ATOM 255 O MET A 18 -0.946 -6.316 7.093 1.00 0.87 O ATOM 256 CB MET A 18 1.721 -5.720 5.499 1.00 0.74 C ATOM 257 CG MET A 18 2.186 -6.544 6.718 1.00 1.20 C ATOM 258 SD MET A 18 3.983 -6.785 6.778 1.00 1.77 S ATOM 259 CE MET A 18 4.458 -5.701 8.125 1.00 2.03 C ATOM 0 H MET A 18 1.250 -4.113 7.464 1.00 0.32 H new ATOM 0 HA MET A 18 0.215 -4.377 4.748 1.00 0.42 H new ATOM 0 HB2 MET A 18 1.578 -6.401 4.660 1.00 0.74 H new ATOM 0 HB3 MET A 18 2.523 -5.036 5.222 1.00 0.74 H new ATOM 0 HG2 MET A 18 1.863 -6.043 7.631 1.00 1.20 H new ATOM 0 HG3 MET A 18 1.696 -7.518 6.698 1.00 1.20 H new ATOM 0 HE1 MET A 18 5.537 -5.752 8.270 1.00 2.03 H new ATOM 0 HE2 MET A 18 4.172 -4.677 7.886 1.00 2.03 H new ATOM 0 HE3 MET A 18 3.954 -6.014 9.039 1.00 2.03 H new ATOM 265 N GLY A 19 -1.658 -6.003 4.945 1.00 0.70 N ATOM 266 CA GLY A 19 -2.857 -6.842 5.070 1.00 1.09 C ATOM 267 C GLY A 19 -4.009 -6.348 4.189 1.00 0.88 C ATOM 268 O GLY A 19 -4.182 -5.135 4.026 1.00 1.71 O ATOM 0 H GLY A 19 -1.537 -5.585 4.022 1.00 0.70 H new ATOM 0 HA2 GLY A 19 -2.609 -7.868 4.798 1.00 1.09 H new ATOM 0 HA3 GLY A 19 -3.180 -6.857 6.111 1.00 1.09 H new ATOM 272 N ALA A 20 -4.802 -7.291 3.625 1.00 0.76 N ATOM 273 CA ALA A 20 -5.955 -6.952 2.750 1.00 0.53 C ATOM 274 C ALA A 20 -7.141 -6.379 3.554 1.00 0.48 C ATOM 275 O ALA A 20 -7.714 -5.355 3.165 1.00 0.49 O ATOM 276 CB ALA A 20 -6.403 -8.178 1.946 1.00 0.67 C ATOM 0 H ALA A 20 -4.666 -8.293 3.759 1.00 0.76 H new ATOM 0 HA ALA A 20 -5.619 -6.178 2.060 1.00 0.53 H new ATOM 0 HB1 ALA A 20 -7.248 -7.909 1.312 1.00 0.67 H new ATOM 0 HB2 ALA A 20 -5.579 -8.526 1.323 1.00 0.67 H new ATOM 0 HB3 ALA A 20 -6.702 -8.972 2.630 1.00 0.67 H new ATOM 282 N ARG A 21 -7.500 -7.054 4.673 1.00 0.50 N ATOM 283 CA ARG A 21 -8.620 -6.634 5.550 1.00 0.54 C ATOM 284 C ARG A 21 -8.277 -5.363 6.367 1.00 0.49 C ATOM 285 O ARG A 21 -9.154 -4.516 6.575 1.00 0.54 O ATOM 286 CB ARG A 21 -9.019 -7.801 6.485 1.00 0.66 C ATOM 287 CG ARG A 21 -10.431 -7.699 7.097 1.00 1.48 C ATOM 288 CD ARG A 21 -11.073 -9.070 7.364 1.00 1.94 C ATOM 289 NE ARG A 21 -10.183 -9.995 8.106 1.00 2.79 N ATOM 290 CZ ARG A 21 -9.436 -11.002 7.571 1.00 3.74 C ATOM 291 NH1 ARG A 21 -9.440 -11.279 6.252 1.00 4.12 N ATOM 292 NH2 ARG A 21 -8.667 -11.740 8.380 1.00 4.68 N ATOM 0 H ARG A 21 -7.025 -7.899 4.991 1.00 0.50 H new ATOM 0 HA ARG A 21 -9.467 -6.378 4.913 1.00 0.54 H new ATOM 0 HB2 ARG A 21 -8.950 -8.734 5.925 1.00 0.66 H new ATOM 0 HB3 ARG A 21 -8.293 -7.861 7.295 1.00 0.66 H new ATOM 0 HG2 ARG A 21 -10.376 -7.142 8.032 1.00 1.48 H new ATOM 0 HG3 ARG A 21 -11.072 -7.129 6.424 1.00 1.48 H new ATOM 0 HD2 ARG A 21 -11.994 -8.929 7.930 1.00 1.94 H new ATOM 0 HD3 ARG A 21 -11.350 -9.526 6.413 1.00 1.94 H new ATOM 0 HE ARG A 21 -10.124 -9.865 9.116 1.00 2.79 H new ATOM 0 HH11 ARG A 21 -10.016 -10.727 5.617 1.00 4.12 H new ATOM 0 HH12 ARG A 21 -8.867 -12.041 5.889 1.00 4.12 H new ATOM 0 HH21 ARG A 21 -8.646 -11.545 9.381 1.00 4.68 H new ATOM 0 HH22 ARG A 21 -8.102 -12.497 7.996 1.00 4.68 H new ATOM 300 N LYS A 22 -6.997 -5.227 6.813 1.00 0.46 N ATOM 301 CA LYS A 22 -6.542 -4.044 7.593 1.00 0.49 C ATOM 302 C LYS A 22 -6.515 -2.759 6.727 1.00 0.47 C ATOM 303 O LYS A 22 -6.778 -1.670 7.248 1.00 0.49 O ATOM 304 CB LYS A 22 -5.154 -4.297 8.229 1.00 0.50 C ATOM 305 CG LYS A 22 -5.193 -5.226 9.448 1.00 0.80 C ATOM 306 CD LYS A 22 -3.806 -5.436 10.067 1.00 1.14 C ATOM 307 CE LYS A 22 -3.884 -6.125 11.432 1.00 1.61 C ATOM 308 NZ LYS A 22 -2.543 -6.266 12.073 1.00 1.91 N ATOM 0 H LYS A 22 -6.267 -5.919 6.646 1.00 0.46 H new ATOM 0 HA LYS A 22 -7.266 -3.890 8.393 1.00 0.49 H new ATOM 0 HB2 LYS A 22 -4.493 -4.727 7.477 1.00 0.50 H new ATOM 0 HB3 LYS A 22 -4.721 -3.342 8.525 1.00 0.50 H new ATOM 0 HG2 LYS A 22 -5.863 -4.808 10.199 1.00 0.80 H new ATOM 0 HG3 LYS A 22 -5.606 -6.191 9.153 1.00 0.80 H new ATOM 0 HD2 LYS A 22 -3.195 -6.036 9.393 1.00 1.14 H new ATOM 0 HD3 LYS A 22 -3.308 -4.472 10.175 1.00 1.14 H new ATOM 0 HE2 LYS A 22 -4.540 -5.553 12.088 1.00 1.61 H new ATOM 0 HE3 LYS A 22 -4.333 -7.111 11.314 1.00 1.61 H new ATOM 0 HZ1 LYS A 22 -2.646 -6.738 12.994 1.00 1.91 H new ATOM 0 HZ2 LYS A 22 -1.924 -6.834 11.461 1.00 1.91 H new ATOM 0 HZ3 LYS A 22 -2.124 -5.324 12.211 1.00 1.91 H new ATOM 314 N SER A 23 -6.227 -2.894 5.401 1.00 0.46 N ATOM 315 CA SER A 23 -6.205 -1.738 4.462 1.00 0.48 C ATOM 316 C SER A 23 -7.615 -1.111 4.288 1.00 0.48 C ATOM 317 O SER A 23 -7.724 0.104 4.092 1.00 0.50 O ATOM 318 CB SER A 23 -5.638 -2.153 3.087 1.00 0.52 C ATOM 319 OG SER A 23 -4.233 -2.344 3.151 1.00 1.14 O ATOM 0 H SER A 23 -6.008 -3.788 4.962 1.00 0.46 H new ATOM 0 HA SER A 23 -5.551 -0.984 4.900 1.00 0.48 H new ATOM 0 HB2 SER A 23 -6.119 -3.073 2.755 1.00 0.52 H new ATOM 0 HB3 SER A 23 -5.871 -1.387 2.348 1.00 0.52 H new ATOM 0 HG SER A 23 -4.040 -3.260 3.441 1.00 1.14 H new ATOM 323 N ILE A 24 -8.690 -1.947 4.388 1.00 0.49 N ATOM 324 CA ILE A 24 -10.097 -1.476 4.271 1.00 0.52 C ATOM 325 C ILE A 24 -10.511 -0.700 5.554 1.00 0.49 C ATOM 326 O ILE A 24 -11.160 0.350 5.456 1.00 0.52 O ATOM 327 CB ILE A 24 -11.114 -2.662 4.002 1.00 0.57 C ATOM 328 CG1 ILE A 24 -10.678 -3.516 2.769 1.00 0.63 C ATOM 329 CG2 ILE A 24 -12.557 -2.139 3.808 1.00 0.60 C ATOM 330 CD1 ILE A 24 -11.285 -4.911 2.717 1.00 0.66 C ATOM 0 H ILE A 24 -8.605 -2.951 4.550 1.00 0.49 H new ATOM 0 HA ILE A 24 -10.141 -0.811 3.408 1.00 0.52 H new ATOM 0 HB ILE A 24 -11.100 -3.301 4.885 1.00 0.57 H new ATOM 0 HG12 ILE A 24 -10.950 -2.981 1.859 1.00 0.63 H new ATOM 0 HG13 ILE A 24 -9.592 -3.607 2.772 1.00 0.63 H new ATOM 0 HG21 ILE A 24 -13.227 -2.979 3.626 1.00 0.60 H new ATOM 0 HG22 ILE A 24 -12.876 -1.609 4.706 1.00 0.60 H new ATOM 0 HG23 ILE A 24 -12.586 -1.460 2.956 1.00 0.60 H new ATOM 0 HD11 ILE A 24 -10.927 -5.431 1.828 1.00 0.66 H new ATOM 0 HD12 ILE A 24 -10.992 -5.469 3.606 1.00 0.66 H new ATOM 0 HD13 ILE A 24 -12.372 -4.834 2.679 1.00 0.66 H new ATOM 340 N GLN A 25 -10.117 -1.224 6.751 1.00 0.47 N ATOM 341 CA GLN A 25 -10.429 -0.585 8.061 1.00 0.49 C ATOM 342 C GLN A 25 -9.801 0.828 8.173 1.00 0.44 C ATOM 343 O GLN A 25 -10.461 1.756 8.654 1.00 0.47 O ATOM 344 CB GLN A 25 -9.957 -1.485 9.233 1.00 0.54 C ATOM 345 CG GLN A 25 -10.541 -1.110 10.602 1.00 0.81 C ATOM 346 CD GLN A 25 -10.183 -2.111 11.698 1.00 1.35 C ATOM 347 OE1 GLN A 25 -11.012 -2.932 12.087 1.00 2.19 O ATOM 348 NE2 GLN A 25 -8.948 -2.052 12.208 1.00 1.75 N ATOM 0 H GLN A 25 -9.582 -2.089 6.833 1.00 0.47 H new ATOM 0 HA GLN A 25 -11.511 -0.470 8.121 1.00 0.49 H new ATOM 0 HB2 GLN A 25 -10.223 -2.518 9.010 1.00 0.54 H new ATOM 0 HB3 GLN A 25 -8.869 -1.441 9.292 1.00 0.54 H new ATOM 0 HG2 GLN A 25 -10.179 -0.122 10.887 1.00 0.81 H new ATOM 0 HG3 GLN A 25 -11.626 -1.040 10.521 1.00 0.81 H new ATOM 0 HE21 GLN A 25 -8.286 -1.358 11.861 1.00 1.75 H new ATOM 0 HE22 GLN A 25 -8.668 -2.701 12.943 1.00 1.75 H new ATOM 353 N TYR A 26 -8.536 0.985 7.698 1.00 0.41 N ATOM 354 CA TYR A 26 -7.831 2.294 7.714 1.00 0.42 C ATOM 355 C TYR A 26 -8.457 3.273 6.686 1.00 0.42 C ATOM 356 O TYR A 26 -8.505 4.480 6.943 1.00 0.46 O ATOM 357 CB TYR A 26 -6.309 2.108 7.460 1.00 0.43 C ATOM 358 CG TYR A 26 -5.497 1.838 8.734 1.00 0.46 C ATOM 359 CD1 TYR A 26 -5.640 0.643 9.447 1.00 0.47 C ATOM 360 CD2 TYR A 26 -4.597 2.782 9.231 1.00 0.56 C ATOM 361 CE1 TYR A 26 -4.919 0.406 10.602 1.00 0.54 C ATOM 362 CE2 TYR A 26 -3.873 2.546 10.383 1.00 0.62 C ATOM 363 CZ TYR A 26 -4.038 1.359 11.066 1.00 0.57 C ATOM 364 OH TYR A 26 -3.320 1.125 12.220 1.00 0.66 O ATOM 0 H TYR A 26 -7.986 0.223 7.301 1.00 0.41 H new ATOM 0 HA TYR A 26 -7.951 2.731 8.705 1.00 0.42 H new ATOM 0 HB2 TYR A 26 -6.164 1.280 6.766 1.00 0.43 H new ATOM 0 HB3 TYR A 26 -5.919 3.003 6.975 1.00 0.43 H new ATOM 0 HD1 TYR A 26 -6.327 -0.109 9.088 1.00 0.47 H new ATOM 0 HD2 TYR A 26 -4.464 3.715 8.704 1.00 0.56 H new ATOM 0 HE1 TYR A 26 -5.045 -0.522 11.139 1.00 0.54 H new ATOM 0 HE2 TYR A 26 -3.179 3.289 10.748 1.00 0.62 H new ATOM 0 HH TYR A 26 -2.744 1.895 12.409 1.00 0.66 H new ATOM 372 N ALA A 27 -8.972 2.736 5.545 1.00 0.40 N ATOM 373 CA ALA A 27 -9.642 3.553 4.504 1.00 0.44 C ATOM 374 C ALA A 27 -11.051 4.015 4.962 1.00 0.48 C ATOM 375 O ALA A 27 -11.498 5.098 4.569 1.00 0.55 O ATOM 376 CB ALA A 27 -9.736 2.784 3.182 1.00 0.47 C ATOM 0 H ALA A 27 -8.934 1.740 5.327 1.00 0.40 H new ATOM 0 HA ALA A 27 -9.032 4.443 4.346 1.00 0.44 H new ATOM 0 HB1 ALA A 27 -10.231 3.404 2.435 1.00 0.47 H new ATOM 0 HB2 ALA A 27 -8.734 2.530 2.837 1.00 0.47 H new ATOM 0 HB3 ALA A 27 -10.310 1.870 3.333 1.00 0.47 H new ATOM 382 N LYS A 28 -11.740 3.185 5.804 1.00 0.48 N ATOM 383 CA LYS A 28 -13.098 3.499 6.335 1.00 0.56 C ATOM 384 C LYS A 28 -13.088 4.763 7.234 1.00 0.62 C ATOM 385 O LYS A 28 -13.876 5.688 7.006 1.00 0.73 O ATOM 386 CB LYS A 28 -13.662 2.300 7.156 1.00 0.58 C ATOM 387 CG LYS A 28 -14.356 1.218 6.328 1.00 1.02 C ATOM 388 CD LYS A 28 -14.723 -0.007 7.175 1.00 1.11 C ATOM 389 CE LYS A 28 -15.554 -1.027 6.394 1.00 1.31 C ATOM 390 NZ LYS A 28 -15.893 -2.228 7.216 1.00 2.06 N ATOM 0 H LYS A 28 -11.372 2.291 6.128 1.00 0.48 H new ATOM 0 HA LYS A 28 -13.736 3.689 5.472 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -12.843 1.842 7.711 1.00 0.58 H new ATOM 0 HB3 LYS A 28 -14.370 2.684 7.891 1.00 0.58 H new ATOM 0 HG2 LYS A 28 -15.258 1.630 5.877 1.00 1.02 H new ATOM 0 HG3 LYS A 28 -13.702 0.911 5.511 1.00 1.02 H new ATOM 0 HD2 LYS A 28 -13.811 -0.484 7.534 1.00 1.11 H new ATOM 0 HD3 LYS A 28 -15.281 0.316 8.054 1.00 1.11 H new ATOM 0 HE2 LYS A 28 -16.473 -0.555 6.047 1.00 1.31 H new ATOM 0 HE3 LYS A 28 -15.002 -1.340 5.507 1.00 1.31 H new ATOM 0 HZ1 LYS A 28 -16.456 -2.891 6.646 1.00 2.06 H new ATOM 0 HZ2 LYS A 28 -15.017 -2.695 7.526 1.00 2.06 H new ATOM 0 HZ3 LYS A 28 -16.442 -1.935 8.049 1.00 2.06 H new ATOM 396 N MET A 29 -12.200 4.777 8.262 1.00 0.60 N ATOM 397 CA MET A 29 -12.091 5.912 9.217 1.00 0.73 C ATOM 398 C MET A 29 -11.285 7.103 8.645 1.00 0.75 C ATOM 399 O MET A 29 -11.644 8.257 8.904 1.00 1.07 O ATOM 400 CB MET A 29 -11.509 5.448 10.583 1.00 1.26 C ATOM 401 CG MET A 29 -10.084 4.868 10.546 1.00 1.48 C ATOM 402 SD MET A 29 -9.513 4.281 12.161 1.00 2.39 S ATOM 403 CE MET A 29 -10.327 2.687 12.274 1.00 3.09 C ATOM 0 H MET A 29 -11.549 4.015 8.451 1.00 0.60 H new ATOM 0 HA MET A 29 -13.106 6.273 9.382 1.00 0.73 H new ATOM 0 HB2 MET A 29 -11.517 6.297 11.266 1.00 1.26 H new ATOM 0 HB3 MET A 29 -12.176 4.695 11.003 1.00 1.26 H new ATOM 0 HG2 MET A 29 -10.052 4.043 9.834 1.00 1.48 H new ATOM 0 HG3 MET A 29 -9.397 5.631 10.180 1.00 1.48 H new ATOM 0 HE1 MET A 29 -9.847 2.088 13.048 1.00 3.09 H new ATOM 0 HE2 MET A 29 -11.377 2.832 12.526 1.00 3.09 H new ATOM 0 HE3 MET A 29 -10.252 2.171 11.317 1.00 3.09 H new ATOM 409 N GLY A 30 -10.207 6.818 7.872 1.00 0.77 N ATOM 410 CA GLY A 30 -9.378 7.872 7.274 1.00 1.31 C ATOM 411 C GLY A 30 -8.120 8.182 8.080 1.00 0.87 C ATOM 412 O GLY A 30 -7.908 9.339 8.460 1.00 1.43 O ATOM 0 H GLY A 30 -9.900 5.870 7.654 1.00 0.77 H new ATOM 0 HA2 GLY A 30 -9.090 7.571 6.267 1.00 1.31 H new ATOM 0 HA3 GLY A 30 -9.972 8.781 7.177 1.00 1.31 H new ATOM 416 N GLY A 31 -7.282 7.147 8.330 1.00 0.71 N ATOM 417 CA GLY A 31 -6.030 7.318 9.085 1.00 1.01 C ATOM 418 C GLY A 31 -4.809 6.794 8.332 1.00 1.00 C ATOM 419 O GLY A 31 -3.941 6.161 8.940 1.00 1.67 O ATOM 0 H GLY A 31 -7.455 6.191 8.019 1.00 0.71 H new ATOM 0 HA2 GLY A 31 -5.887 8.375 9.308 1.00 1.01 H new ATOM 0 HA3 GLY A 31 -6.113 6.799 10.040 1.00 1.01 H new ATOM 423 N ALA A 32 -4.742 7.061 7.002 1.00 0.55 N ATOM 424 CA ALA A 32 -3.623 6.617 6.146 1.00 0.47 C ATOM 425 C ALA A 32 -3.227 7.709 5.132 1.00 0.42 C ATOM 426 O ALA A 32 -4.097 8.414 4.606 1.00 0.45 O ATOM 427 CB ALA A 32 -3.994 5.320 5.420 1.00 0.45 C ATOM 0 H ALA A 32 -5.459 7.586 6.501 1.00 0.55 H new ATOM 0 HA ALA A 32 -2.761 6.429 6.786 1.00 0.47 H new ATOM 0 HB1 ALA A 32 -3.161 5.003 4.792 1.00 0.45 H new ATOM 0 HB2 ALA A 32 -4.213 4.543 6.152 1.00 0.45 H new ATOM 0 HB3 ALA A 32 -4.873 5.490 4.798 1.00 0.45 H new ATOM 433 N LYS A 33 -1.906 7.830 4.853 1.00 0.43 N ATOM 434 CA LYS A 33 -1.372 8.823 3.888 1.00 0.45 C ATOM 435 C LYS A 33 -1.446 8.278 2.446 1.00 0.40 C ATOM 436 O LYS A 33 -1.967 8.962 1.562 1.00 0.43 O ATOM 437 CB LYS A 33 0.094 9.224 4.246 1.00 0.54 C ATOM 438 CG LYS A 33 0.235 10.543 5.023 1.00 1.19 C ATOM 439 CD LYS A 33 -0.025 11.780 4.144 1.00 1.27 C ATOM 440 CE LYS A 33 0.328 13.094 4.852 1.00 1.41 C ATOM 441 NZ LYS A 33 -0.636 13.447 5.939 1.00 1.85 N ATOM 0 H LYS A 33 -1.188 7.249 5.285 1.00 0.43 H new ATOM 0 HA LYS A 33 -1.992 9.717 3.952 1.00 0.45 H new ATOM 0 HB2 LYS A 33 0.540 8.423 4.835 1.00 0.54 H new ATOM 0 HB3 LYS A 33 0.670 9.300 3.324 1.00 0.54 H new ATOM 0 HG2 LYS A 33 -0.463 10.544 5.860 1.00 1.19 H new ATOM 0 HG3 LYS A 33 1.238 10.606 5.445 1.00 1.19 H new ATOM 0 HD2 LYS A 33 0.558 11.698 3.227 1.00 1.27 H new ATOM 0 HD3 LYS A 33 -1.075 11.800 3.853 1.00 1.27 H new ATOM 0 HE2 LYS A 33 1.330 13.016 5.273 1.00 1.41 H new ATOM 0 HE3 LYS A 33 0.352 13.900 4.119 1.00 1.41 H new ATOM 0 HZ1 LYS A 33 -0.348 14.343 6.381 1.00 1.85 H new ATOM 0 HZ2 LYS A 33 -1.590 13.550 5.537 1.00 1.85 H new ATOM 0 HZ3 LYS A 33 -0.642 12.693 6.656 1.00 1.85 H new ATOM 447 N LEU A 34 -0.919 7.047 2.221 1.00 0.36 N ATOM 448 CA LEU A 34 -0.923 6.403 0.884 1.00 0.34 C ATOM 449 C LEU A 34 -1.212 4.897 1.010 1.00 0.32 C ATOM 450 O LEU A 34 -0.572 4.226 1.818 1.00 0.49 O ATOM 451 CB LEU A 34 0.442 6.625 0.180 1.00 0.40 C ATOM 452 CG LEU A 34 0.541 6.161 -1.306 1.00 0.51 C ATOM 453 CD1 LEU A 34 -0.168 7.141 -2.247 1.00 1.06 C ATOM 454 CD2 LEU A 34 2.003 5.963 -1.725 1.00 0.99 C ATOM 0 H LEU A 34 -0.486 6.481 2.950 1.00 0.36 H new ATOM 0 HA LEU A 34 -1.711 6.859 0.284 1.00 0.34 H new ATOM 0 HB2 LEU A 34 0.679 7.688 0.222 1.00 0.40 H new ATOM 0 HB3 LEU A 34 1.210 6.104 0.752 1.00 0.40 H new ATOM 0 HG LEU A 34 0.033 5.200 -1.384 1.00 0.51 H new ATOM 0 HD11 LEU A 34 -0.080 6.787 -3.274 1.00 1.06 H new ATOM 0 HD12 LEU A 34 -1.222 7.208 -1.976 1.00 1.06 H new ATOM 0 HD13 LEU A 34 0.292 8.125 -2.161 1.00 1.06 H new ATOM 0 HD21 LEU A 34 2.043 5.640 -2.765 1.00 0.99 H new ATOM 0 HD22 LEU A 34 2.543 6.904 -1.617 1.00 0.99 H new ATOM 0 HD23 LEU A 34 2.464 5.205 -1.091 1.00 0.99 H new ATOM 464 N ILE A 35 -2.159 4.365 0.197 1.00 0.26 N ATOM 465 CA ILE A 35 -2.497 2.919 0.228 1.00 0.23 C ATOM 466 C ILE A 35 -2.064 2.253 -1.097 1.00 0.24 C ATOM 467 O ILE A 35 -2.579 2.598 -2.162 1.00 0.31 O ATOM 468 CB ILE A 35 -4.029 2.667 0.518 1.00 0.25 C ATOM 469 CG1 ILE A 35 -4.459 3.382 1.838 1.00 0.25 C ATOM 470 CG2 ILE A 35 -4.343 1.151 0.588 1.00 0.26 C ATOM 471 CD1 ILE A 35 -5.961 3.444 2.080 1.00 0.30 C ATOM 0 H ILE A 35 -2.696 4.907 -0.480 1.00 0.26 H new ATOM 0 HA ILE A 35 -1.948 2.464 1.053 1.00 0.23 H new ATOM 0 HB ILE A 35 -4.603 3.088 -0.307 1.00 0.25 H new ATOM 0 HG12 ILE A 35 -3.992 2.869 2.679 1.00 0.25 H new ATOM 0 HG13 ILE A 35 -4.066 4.399 1.827 1.00 0.25 H new ATOM 0 HG21 ILE A 35 -5.405 1.008 0.789 1.00 0.26 H new ATOM 0 HG22 ILE A 35 -4.087 0.682 -0.362 1.00 0.26 H new ATOM 0 HG23 ILE A 35 -3.758 0.695 1.387 1.00 0.26 H new ATOM 0 HD11 ILE A 35 -6.157 3.959 3.021 1.00 0.30 H new ATOM 0 HD12 ILE A 35 -6.439 3.985 1.264 1.00 0.30 H new ATOM 0 HD13 ILE A 35 -6.364 2.432 2.129 1.00 0.30 H new ATOM 481 N ILE A 36 -1.111 1.295 -1.017 1.00 0.22 N ATOM 482 CA ILE A 36 -0.601 0.573 -2.204 1.00 0.25 C ATOM 483 C ILE A 36 -1.311 -0.795 -2.323 1.00 0.24 C ATOM 484 O ILE A 36 -1.341 -1.561 -1.353 1.00 0.25 O ATOM 485 CB ILE A 36 0.967 0.388 -2.155 1.00 0.29 C ATOM 486 CG1 ILE A 36 1.683 1.763 -1.964 1.00 0.32 C ATOM 487 CG2 ILE A 36 1.494 -0.325 -3.423 1.00 0.34 C ATOM 488 CD1 ILE A 36 3.145 1.683 -1.539 1.00 0.40 C ATOM 0 H ILE A 36 -0.679 1.004 -0.140 1.00 0.22 H new ATOM 0 HA ILE A 36 -0.821 1.173 -3.087 1.00 0.25 H new ATOM 0 HB ILE A 36 1.195 -0.244 -1.297 1.00 0.29 H new ATOM 0 HG12 ILE A 36 1.624 2.318 -2.900 1.00 0.32 H new ATOM 0 HG13 ILE A 36 1.136 2.338 -1.217 1.00 0.32 H new ATOM 0 HG21 ILE A 36 2.576 -0.435 -3.355 1.00 0.34 H new ATOM 0 HG22 ILE A 36 1.033 -1.309 -3.505 1.00 0.34 H new ATOM 0 HG23 ILE A 36 1.244 0.267 -4.304 1.00 0.34 H new ATOM 0 HD11 ILE A 36 3.549 2.690 -1.434 1.00 0.40 H new ATOM 0 HD12 ILE A 36 3.219 1.161 -0.585 1.00 0.40 H new ATOM 0 HD13 ILE A 36 3.714 1.141 -2.294 1.00 0.40 H new ATOM 498 N VAL A 37 -1.877 -1.086 -3.521 1.00 0.25 N ATOM 499 CA VAL A 37 -2.594 -2.359 -3.788 1.00 0.25 C ATOM 500 C VAL A 37 -1.910 -3.153 -4.924 1.00 0.23 C ATOM 501 O VAL A 37 -1.548 -2.572 -5.950 1.00 0.26 O ATOM 502 CB VAL A 37 -4.117 -2.128 -4.132 1.00 0.31 C ATOM 503 CG1 VAL A 37 -4.883 -1.604 -2.911 1.00 0.34 C ATOM 504 CG2 VAL A 37 -4.322 -1.192 -5.345 1.00 0.31 C ATOM 0 H VAL A 37 -1.850 -0.453 -4.321 1.00 0.25 H new ATOM 0 HA VAL A 37 -2.547 -2.942 -2.868 1.00 0.25 H new ATOM 0 HB VAL A 37 -4.521 -3.101 -4.411 1.00 0.31 H new ATOM 0 HG11 VAL A 37 -5.930 -1.453 -3.175 1.00 0.34 H new ATOM 0 HG12 VAL A 37 -4.814 -2.329 -2.100 1.00 0.34 H new ATOM 0 HG13 VAL A 37 -4.450 -0.657 -2.589 1.00 0.34 H new ATOM 0 HG21 VAL A 37 -5.388 -1.070 -5.534 1.00 0.31 H new ATOM 0 HG22 VAL A 37 -3.878 -0.219 -5.133 1.00 0.31 H new ATOM 0 HG23 VAL A 37 -3.845 -1.625 -6.224 1.00 0.31 H new ATOM 514 N ALA A 38 -1.752 -4.488 -4.737 1.00 0.20 N ATOM 515 CA ALA A 38 -1.125 -5.366 -5.752 1.00 0.21 C ATOM 516 C ALA A 38 -2.115 -5.681 -6.893 1.00 0.27 C ATOM 517 O ALA A 38 -3.261 -6.064 -6.626 1.00 0.33 O ATOM 518 CB ALA A 38 -0.594 -6.655 -5.108 1.00 0.26 C ATOM 0 H ALA A 38 -2.050 -4.977 -3.893 1.00 0.20 H new ATOM 0 HA ALA A 38 -0.277 -4.834 -6.183 1.00 0.21 H new ATOM 0 HB1 ALA A 38 -0.138 -7.283 -5.873 1.00 0.26 H new ATOM 0 HB2 ALA A 38 0.151 -6.404 -4.353 1.00 0.26 H new ATOM 0 HB3 ALA A 38 -1.418 -7.194 -4.640 1.00 0.26 H new ATOM 524 N ARG A 39 -1.669 -5.506 -8.167 1.00 0.41 N ATOM 525 CA ARG A 39 -2.526 -5.765 -9.362 1.00 0.56 C ATOM 526 C ARG A 39 -2.959 -7.251 -9.486 1.00 0.54 C ATOM 527 O ARG A 39 -4.039 -7.531 -10.017 1.00 0.60 O ATOM 528 CB ARG A 39 -1.846 -5.289 -10.675 1.00 0.77 C ATOM 529 CG ARG A 39 -0.493 -5.949 -11.003 1.00 0.96 C ATOM 530 CD ARG A 39 -0.022 -5.647 -12.430 1.00 1.49 C ATOM 531 NE ARG A 39 0.157 -4.199 -12.697 1.00 2.48 N ATOM 532 CZ ARG A 39 0.259 -3.631 -13.927 1.00 3.10 C ATOM 533 NH1 ARG A 39 0.231 -4.367 -15.055 1.00 3.10 N ATOM 534 NH2 ARG A 39 0.400 -2.305 -14.025 1.00 4.14 N ATOM 0 H ARG A 39 -0.727 -5.189 -8.394 1.00 0.41 H new ATOM 0 HA ARG A 39 -3.430 -5.176 -9.208 1.00 0.56 H new ATOM 0 HB2 ARG A 39 -2.530 -5.473 -11.504 1.00 0.77 H new ATOM 0 HB3 ARG A 39 -1.699 -4.211 -10.616 1.00 0.77 H new ATOM 0 HG2 ARG A 39 0.259 -5.601 -10.295 1.00 0.96 H new ATOM 0 HG3 ARG A 39 -0.578 -7.028 -10.873 1.00 0.96 H new ATOM 0 HD2 ARG A 39 0.922 -6.161 -12.610 1.00 1.49 H new ATOM 0 HD3 ARG A 39 -0.746 -6.053 -13.137 1.00 1.49 H new ATOM 0 HE ARG A 39 0.208 -3.578 -11.890 1.00 2.48 H new ATOM 0 HH11 ARG A 39 0.131 -5.381 -15.000 1.00 3.10 H new ATOM 0 HH12 ARG A 39 0.310 -3.911 -15.964 1.00 3.10 H new ATOM 0 HH21 ARG A 39 0.430 -1.732 -13.182 1.00 4.14 H new ATOM 0 HH22 ARG A 39 0.478 -1.867 -14.943 1.00 4.14 H new ATOM 542 N ASN A 40 -2.116 -8.193 -8.982 1.00 0.55 N ATOM 543 CA ASN A 40 -2.416 -9.646 -9.025 1.00 0.64 C ATOM 544 C ASN A 40 -3.345 -10.105 -7.856 1.00 0.58 C ATOM 545 O ASN A 40 -3.717 -11.284 -7.804 1.00 0.87 O ATOM 546 CB ASN A 40 -1.093 -10.463 -9.032 1.00 0.81 C ATOM 547 CG ASN A 40 -1.148 -11.695 -9.934 1.00 1.57 C ATOM 548 OD1 ASN A 40 -0.742 -11.635 -11.094 1.00 2.18 O ATOM 549 ND2 ASN A 40 -1.652 -12.819 -9.415 1.00 2.33 N ATOM 0 H ASN A 40 -1.224 -7.969 -8.542 1.00 0.55 H new ATOM 0 HA ASN A 40 -2.963 -9.837 -9.948 1.00 0.64 H new ATOM 0 HB2 ASN A 40 -0.278 -9.818 -9.359 1.00 0.81 H new ATOM 0 HB3 ASN A 40 -0.862 -10.777 -8.014 1.00 0.81 H new ATOM 0 HD21 ASN A 40 -1.709 -13.663 -9.985 1.00 2.33 H new ATOM 0 HD22 ASN A 40 -1.979 -12.833 -8.449 1.00 2.33 H new ATOM 554 N ALA A 41 -3.736 -9.173 -6.934 1.00 0.46 N ATOM 555 CA ALA A 41 -4.633 -9.491 -5.794 1.00 0.43 C ATOM 556 C ALA A 41 -6.098 -9.687 -6.266 1.00 0.40 C ATOM 557 O ALA A 41 -6.398 -9.493 -7.452 1.00 0.44 O ATOM 558 CB ALA A 41 -4.543 -8.389 -4.727 1.00 0.47 C ATOM 0 H ALA A 41 -3.440 -8.197 -6.965 1.00 0.46 H new ATOM 0 HA ALA A 41 -4.304 -10.432 -5.353 1.00 0.43 H new ATOM 0 HB1 ALA A 41 -5.205 -8.632 -3.896 1.00 0.47 H new ATOM 0 HB2 ALA A 41 -3.517 -8.316 -4.365 1.00 0.47 H new ATOM 0 HB3 ALA A 41 -4.843 -7.436 -5.162 1.00 0.47 H new ATOM 564 N ARG A 42 -7.006 -10.082 -5.333 1.00 0.40 N ATOM 565 CA ARG A 42 -8.440 -10.317 -5.657 1.00 0.43 C ATOM 566 C ARG A 42 -9.155 -9.016 -6.123 1.00 0.44 C ATOM 567 O ARG A 42 -8.837 -7.935 -5.611 1.00 0.42 O ATOM 568 CB ARG A 42 -9.197 -10.924 -4.437 1.00 0.50 C ATOM 569 CG ARG A 42 -9.253 -12.457 -4.415 1.00 0.61 C ATOM 570 CD ARG A 42 -7.921 -13.098 -4.013 1.00 1.23 C ATOM 571 NE ARG A 42 -7.952 -14.567 -4.137 1.00 2.10 N ATOM 572 CZ ARG A 42 -8.539 -15.430 -3.266 1.00 2.98 C ATOM 573 NH1 ARG A 42 -9.164 -15.003 -2.152 1.00 3.25 N ATOM 574 NH2 ARG A 42 -8.498 -16.742 -3.520 1.00 3.98 N ATOM 0 H ARG A 42 -6.771 -10.244 -4.354 1.00 0.40 H new ATOM 0 HA ARG A 42 -8.461 -11.029 -6.482 1.00 0.43 H new ATOM 0 HB2 ARG A 42 -8.718 -10.578 -3.521 1.00 0.50 H new ATOM 0 HB3 ARG A 42 -10.216 -10.537 -4.430 1.00 0.50 H new ATOM 0 HG2 ARG A 42 -10.029 -12.777 -3.719 1.00 0.61 H new ATOM 0 HG3 ARG A 42 -9.541 -12.819 -5.402 1.00 0.61 H new ATOM 0 HD2 ARG A 42 -7.123 -12.699 -4.639 1.00 1.23 H new ATOM 0 HD3 ARG A 42 -7.685 -12.826 -2.984 1.00 1.23 H new ATOM 0 HE ARG A 42 -7.491 -14.973 -4.951 1.00 2.10 H new ATOM 0 HH11 ARG A 42 -9.207 -14.006 -1.942 1.00 3.25 H new ATOM 0 HH12 ARG A 42 -9.595 -15.677 -1.519 1.00 3.25 H new ATOM 0 HH21 ARG A 42 -8.030 -17.085 -4.359 1.00 3.98 H new ATOM 0 HH22 ARG A 42 -8.934 -17.400 -2.875 1.00 3.98 H new ATOM 582 N PRO A 43 -10.142 -9.094 -7.097 1.00 0.50 N ATOM 583 CA PRO A 43 -10.882 -7.902 -7.593 1.00 0.58 C ATOM 584 C PRO A 43 -11.744 -7.222 -6.504 1.00 0.60 C ATOM 585 O PRO A 43 -11.798 -5.990 -6.450 1.00 0.64 O ATOM 586 CB PRO A 43 -11.768 -8.454 -8.735 1.00 0.67 C ATOM 587 CG PRO A 43 -11.197 -9.788 -9.066 1.00 0.86 C ATOM 588 CD PRO A 43 -10.624 -10.321 -7.786 1.00 0.55 C ATOM 0 HA PRO A 43 -10.194 -7.122 -7.918 1.00 0.58 H new ATOM 0 HB2 PRO A 43 -12.808 -8.539 -8.420 1.00 0.67 H new ATOM 0 HB3 PRO A 43 -11.750 -7.793 -9.601 1.00 0.67 H new ATOM 0 HG2 PRO A 43 -11.965 -10.455 -9.457 1.00 0.86 H new ATOM 0 HG3 PRO A 43 -10.427 -9.704 -9.833 1.00 0.86 H new ATOM 0 HD2 PRO A 43 -11.375 -10.846 -7.196 1.00 0.55 H new ATOM 0 HD3 PRO A 43 -9.813 -11.025 -7.970 1.00 0.55 H new ATOM 590 N ASP A 44 -12.404 -8.033 -5.630 1.00 0.61 N ATOM 591 CA ASP A 44 -13.251 -7.500 -4.528 1.00 0.68 C ATOM 592 C ASP A 44 -12.411 -6.757 -3.453 1.00 0.60 C ATOM 593 O ASP A 44 -12.898 -5.793 -2.863 1.00 0.65 O ATOM 594 CB ASP A 44 -14.129 -8.610 -3.884 1.00 0.77 C ATOM 595 CG ASP A 44 -13.343 -9.755 -3.249 1.00 1.62 C ATOM 596 OD1 ASP A 44 -12.903 -9.601 -2.092 1.00 2.48 O ATOM 597 OD2 ASP A 44 -13.175 -10.801 -3.910 1.00 2.04 O ATOM 0 H ASP A 44 -12.365 -9.052 -5.668 1.00 0.61 H new ATOM 0 HA ASP A 44 -13.922 -6.769 -4.979 1.00 0.68 H new ATOM 0 HB2 ASP A 44 -14.764 -8.157 -3.123 1.00 0.77 H new ATOM 0 HB3 ASP A 44 -14.790 -9.020 -4.647 1.00 0.77 H new ATOM 600 N ILE A 45 -11.140 -7.196 -3.232 1.00 0.50 N ATOM 601 CA ILE A 45 -10.224 -6.549 -2.256 1.00 0.44 C ATOM 602 C ILE A 45 -9.733 -5.184 -2.810 1.00 0.40 C ATOM 603 O ILE A 45 -9.752 -4.184 -2.086 1.00 0.38 O ATOM 604 CB ILE A 45 -8.987 -7.475 -1.901 1.00 0.45 C ATOM 605 CG1 ILE A 45 -9.442 -8.859 -1.334 1.00 0.54 C ATOM 606 CG2 ILE A 45 -7.989 -6.789 -0.939 1.00 0.42 C ATOM 607 CD1 ILE A 45 -10.219 -8.824 -0.017 1.00 0.62 C ATOM 0 H ILE A 45 -10.730 -7.994 -3.717 1.00 0.50 H new ATOM 0 HA ILE A 45 -10.784 -6.385 -1.335 1.00 0.44 H new ATOM 0 HB ILE A 45 -8.461 -7.651 -2.840 1.00 0.45 H new ATOM 0 HG12 ILE A 45 -10.061 -9.351 -2.085 1.00 0.54 H new ATOM 0 HG13 ILE A 45 -8.557 -9.480 -1.194 1.00 0.54 H new ATOM 0 HG21 ILE A 45 -7.162 -7.467 -0.729 1.00 0.42 H new ATOM 0 HG22 ILE A 45 -7.605 -5.880 -1.401 1.00 0.42 H new ATOM 0 HG23 ILE A 45 -8.496 -6.536 -0.008 1.00 0.42 H new ATOM 0 HD11 ILE A 45 -10.481 -9.840 0.278 1.00 0.62 H new ATOM 0 HD12 ILE A 45 -9.602 -8.369 0.758 1.00 0.62 H new ATOM 0 HD13 ILE A 45 -11.129 -8.238 -0.147 1.00 0.62 H new ATOM 617 N LYS A 46 -9.303 -5.160 -4.100 1.00 0.45 N ATOM 618 CA LYS A 46 -8.809 -3.925 -4.766 1.00 0.50 C ATOM 619 C LYS A 46 -9.932 -2.875 -4.944 1.00 0.52 C ATOM 620 O LYS A 46 -9.703 -1.688 -4.700 1.00 0.51 O ATOM 621 CB LYS A 46 -8.187 -4.250 -6.149 1.00 0.58 C ATOM 622 CG LYS A 46 -6.887 -5.073 -6.097 1.00 0.59 C ATOM 623 CD LYS A 46 -6.620 -5.861 -7.396 1.00 0.74 C ATOM 624 CE LYS A 46 -6.157 -4.978 -8.570 1.00 1.09 C ATOM 625 NZ LYS A 46 -7.292 -4.425 -9.375 1.00 1.59 N ATOM 0 H LYS A 46 -9.289 -5.985 -4.700 1.00 0.45 H new ATOM 0 HA LYS A 46 -8.044 -3.504 -4.114 1.00 0.50 H new ATOM 0 HB2 LYS A 46 -8.921 -4.795 -6.743 1.00 0.58 H new ATOM 0 HB3 LYS A 46 -7.987 -3.314 -6.670 1.00 0.58 H new ATOM 0 HG2 LYS A 46 -6.048 -4.404 -5.905 1.00 0.59 H new ATOM 0 HG3 LYS A 46 -6.938 -5.769 -5.260 1.00 0.59 H new ATOM 0 HD2 LYS A 46 -5.861 -6.619 -7.202 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -7.530 -6.387 -7.685 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -5.559 -4.153 -8.182 1.00 1.09 H new ATOM 0 HE3 LYS A 46 -5.508 -5.563 -9.222 1.00 1.09 H new ATOM 0 HZ1 LYS A 46 -6.916 -3.911 -10.197 1.00 1.59 H new ATOM 0 HZ2 LYS A 46 -7.898 -5.204 -9.701 1.00 1.59 H new ATOM 0 HZ3 LYS A 46 -7.851 -3.775 -8.786 1.00 1.59 H new ATOM 631 N GLU A 47 -11.140 -3.323 -5.375 1.00 0.59 N ATOM 632 CA GLU A 47 -12.300 -2.421 -5.596 1.00 0.65 C ATOM 633 C GLU A 47 -12.867 -1.847 -4.274 1.00 0.55 C ATOM 634 O GLU A 47 -13.286 -0.685 -4.250 1.00 0.55 O ATOM 635 CB GLU A 47 -13.412 -3.142 -6.400 1.00 0.79 C ATOM 636 CG GLU A 47 -14.338 -2.202 -7.179 1.00 1.15 C ATOM 637 CD GLU A 47 -15.213 -2.928 -8.186 1.00 1.76 C ATOM 638 OE1 GLU A 47 -14.719 -3.228 -9.294 1.00 2.06 O ATOM 639 OE2 GLU A 47 -16.389 -3.197 -7.867 1.00 2.60 O ATOM 0 H GLU A 47 -11.335 -4.304 -5.576 1.00 0.59 H new ATOM 0 HA GLU A 47 -11.935 -1.575 -6.179 1.00 0.65 H new ATOM 0 HB2 GLU A 47 -12.946 -3.836 -7.100 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -14.013 -3.738 -5.713 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -14.973 -1.663 -6.476 1.00 1.15 H new ATOM 0 HG3 GLU A 47 -13.736 -1.458 -7.700 1.00 1.15 H new ATOM 642 N ASP A 48 -12.866 -2.653 -3.176 1.00 0.50 N ATOM 643 CA ASP A 48 -13.369 -2.197 -1.853 1.00 0.47 C ATOM 644 C ASP A 48 -12.419 -1.138 -1.238 1.00 0.35 C ATOM 645 O ASP A 48 -12.883 -0.096 -0.771 1.00 0.36 O ATOM 646 CB ASP A 48 -13.559 -3.398 -0.884 1.00 0.55 C ATOM 647 CG ASP A 48 -14.528 -3.116 0.262 1.00 0.62 C ATOM 648 OD1 ASP A 48 -14.237 -2.224 1.084 1.00 1.21 O ATOM 649 OD2 ASP A 48 -15.573 -3.796 0.338 1.00 1.00 O ATOM 0 H ASP A 48 -12.525 -3.614 -3.182 1.00 0.50 H new ATOM 0 HA ASP A 48 -14.343 -1.732 -2.006 1.00 0.47 H new ATOM 0 HB2 ASP A 48 -13.920 -4.256 -1.450 1.00 0.55 H new ATOM 0 HB3 ASP A 48 -12.590 -3.675 -0.469 1.00 0.55 H new ATOM 652 N ILE A 49 -11.085 -1.402 -1.271 1.00 0.29 N ATOM 653 CA ILE A 49 -10.068 -0.457 -0.736 1.00 0.24 C ATOM 654 C ILE A 49 -10.036 0.849 -1.577 1.00 0.26 C ATOM 655 O ILE A 49 -9.959 1.938 -1.003 1.00 0.26 O ATOM 656 CB ILE A 49 -8.626 -1.108 -0.662 1.00 0.24 C ATOM 657 CG1 ILE A 49 -8.637 -2.371 0.252 1.00 0.30 C ATOM 658 CG2 ILE A 49 -7.560 -0.099 -0.168 1.00 0.35 C ATOM 659 CD1 ILE A 49 -7.463 -3.314 0.044 1.00 0.36 C ATOM 0 H ILE A 49 -10.691 -2.258 -1.661 1.00 0.29 H new ATOM 0 HA ILE A 49 -10.364 -0.211 0.284 1.00 0.24 H new ATOM 0 HB ILE A 49 -8.356 -1.406 -1.675 1.00 0.24 H new ATOM 0 HG12 ILE A 49 -8.647 -2.049 1.293 1.00 0.30 H new ATOM 0 HG13 ILE A 49 -9.562 -2.920 0.079 1.00 0.30 H new ATOM 0 HG21 ILE A 49 -6.586 -0.587 -0.132 1.00 0.35 H new ATOM 0 HG22 ILE A 49 -7.516 0.748 -0.852 1.00 0.35 H new ATOM 0 HG23 ILE A 49 -7.826 0.253 0.829 1.00 0.35 H new ATOM 0 HD11 ILE A 49 -7.554 -4.163 0.721 1.00 0.36 H new ATOM 0 HD12 ILE A 49 -7.461 -3.670 -0.986 1.00 0.36 H new ATOM 0 HD13 ILE A 49 -6.532 -2.786 0.247 1.00 0.36 H new ATOM 669 N GLU A 50 -10.111 0.729 -2.930 1.00 0.31 N ATOM 670 CA GLU A 50 -10.102 1.907 -3.838 1.00 0.39 C ATOM 671 C GLU A 50 -11.378 2.765 -3.679 1.00 0.43 C ATOM 672 O GLU A 50 -11.276 3.991 -3.601 1.00 0.48 O ATOM 673 CB GLU A 50 -9.929 1.478 -5.319 1.00 0.46 C ATOM 674 CG GLU A 50 -8.500 1.068 -5.690 1.00 0.61 C ATOM 675 CD GLU A 50 -8.362 0.603 -7.134 1.00 1.15 C ATOM 676 OE1 GLU A 50 -8.989 -0.416 -7.496 1.00 1.67 O ATOM 677 OE2 GLU A 50 -7.621 1.255 -7.900 1.00 1.57 O ATOM 0 H GLU A 50 -10.178 -0.167 -3.413 1.00 0.31 H new ATOM 0 HA GLU A 50 -9.246 2.518 -3.551 1.00 0.39 H new ATOM 0 HB2 GLU A 50 -10.600 0.644 -5.525 1.00 0.46 H new ATOM 0 HB3 GLU A 50 -10.238 2.302 -5.963 1.00 0.46 H new ATOM 0 HG2 GLU A 50 -7.832 1.913 -5.522 1.00 0.61 H new ATOM 0 HG3 GLU A 50 -8.175 0.268 -5.025 1.00 0.61 H new ATOM 680 N TYR A 51 -12.571 2.112 -3.612 1.00 0.44 N ATOM 681 CA TYR A 51 -13.870 2.821 -3.448 1.00 0.52 C ATOM 682 C TYR A 51 -13.956 3.536 -2.077 1.00 0.47 C ATOM 683 O TYR A 51 -14.370 4.699 -2.014 1.00 0.51 O ATOM 684 CB TYR A 51 -15.057 1.832 -3.628 1.00 0.61 C ATOM 685 CG TYR A 51 -16.454 2.456 -3.489 1.00 0.70 C ATOM 686 CD1 TYR A 51 -16.961 3.320 -4.462 1.00 0.78 C ATOM 687 CD2 TYR A 51 -17.256 2.185 -2.378 1.00 0.77 C ATOM 688 CE1 TYR A 51 -18.215 3.886 -4.331 1.00 0.88 C ATOM 689 CE2 TYR A 51 -18.509 2.750 -2.245 1.00 0.87 C ATOM 690 CZ TYR A 51 -18.984 3.599 -3.222 1.00 0.91 C ATOM 691 OH TYR A 51 -20.234 4.164 -3.089 1.00 1.03 O ATOM 0 H TYR A 51 -12.659 1.097 -3.669 1.00 0.44 H new ATOM 0 HA TYR A 51 -13.933 3.585 -4.223 1.00 0.52 H new ATOM 0 HB2 TYR A 51 -14.979 1.371 -4.612 1.00 0.61 H new ATOM 0 HB3 TYR A 51 -14.958 1.033 -2.893 1.00 0.61 H new ATOM 0 HD1 TYR A 51 -16.363 3.550 -5.332 1.00 0.78 H new ATOM 0 HD2 TYR A 51 -16.889 1.521 -1.609 1.00 0.77 H new ATOM 0 HE1 TYR A 51 -18.592 4.551 -5.094 1.00 0.88 H new ATOM 0 HE2 TYR A 51 -19.115 2.528 -1.379 1.00 0.87 H new ATOM 0 HH TYR A 51 -20.644 3.858 -2.253 1.00 1.03 H new ATOM 699 N TYR A 52 -13.558 2.831 -0.990 1.00 0.43 N ATOM 700 CA TYR A 52 -13.581 3.393 0.384 1.00 0.42 C ATOM 701 C TYR A 52 -12.499 4.488 0.580 1.00 0.38 C ATOM 702 O TYR A 52 -12.747 5.469 1.292 1.00 0.41 O ATOM 703 CB TYR A 52 -13.422 2.261 1.429 1.00 0.47 C ATOM 704 CG TYR A 52 -14.727 1.522 1.764 1.00 0.53 C ATOM 705 CD1 TYR A 52 -15.405 0.758 0.807 1.00 0.81 C ATOM 706 CD2 TYR A 52 -15.278 1.585 3.041 1.00 0.97 C ATOM 707 CE1 TYR A 52 -16.574 0.092 1.117 1.00 0.89 C ATOM 708 CE2 TYR A 52 -16.447 0.918 3.355 1.00 1.09 C ATOM 709 CZ TYR A 52 -17.090 0.173 2.391 1.00 0.84 C ATOM 710 OH TYR A 52 -18.257 -0.493 2.701 1.00 0.97 O ATOM 0 H TYR A 52 -13.217 1.871 -1.038 1.00 0.43 H new ATOM 0 HA TYR A 52 -14.549 3.872 0.532 1.00 0.42 H new ATOM 0 HB2 TYR A 52 -12.694 1.539 1.058 1.00 0.47 H new ATOM 0 HB3 TYR A 52 -13.012 2.684 2.346 1.00 0.47 H new ATOM 0 HD1 TYR A 52 -15.006 0.688 -0.194 1.00 0.81 H new ATOM 0 HD2 TYR A 52 -14.781 2.168 3.803 1.00 0.97 H new ATOM 0 HE1 TYR A 52 -17.082 -0.491 0.363 1.00 0.89 H new ATOM 0 HE2 TYR A 52 -16.855 0.981 4.353 1.00 1.09 H new ATOM 0 HH TYR A 52 -18.485 -0.334 3.641 1.00 0.97 H new ATOM 718 N ALA A 53 -11.316 4.329 -0.073 1.00 0.33 N ATOM 719 CA ALA A 53 -10.215 5.322 0.011 1.00 0.34 C ATOM 720 C ALA A 53 -10.511 6.586 -0.837 1.00 0.39 C ATOM 721 O ALA A 53 -10.076 7.682 -0.468 1.00 0.42 O ATOM 722 CB ALA A 53 -8.882 4.698 -0.413 1.00 0.34 C ATOM 0 H ALA A 53 -11.103 3.524 -0.662 1.00 0.33 H new ATOM 0 HA ALA A 53 -10.142 5.631 1.054 1.00 0.34 H new ATOM 0 HB1 ALA A 53 -8.092 5.445 -0.343 1.00 0.34 H new ATOM 0 HB2 ALA A 53 -8.648 3.860 0.243 1.00 0.34 H new ATOM 0 HB3 ALA A 53 -8.957 4.344 -1.441 1.00 0.34 H new ATOM 728 N ARG A 54 -11.253 6.426 -1.972 1.00 0.42 N ATOM 729 CA ARG A 54 -11.610 7.557 -2.876 1.00 0.50 C ATOM 730 C ARG A 54 -12.501 8.615 -2.171 1.00 0.51 C ATOM 731 O ARG A 54 -12.196 9.812 -2.224 1.00 0.55 O ATOM 732 CB ARG A 54 -12.331 7.038 -4.160 1.00 0.57 C ATOM 733 CG ARG A 54 -12.024 7.828 -5.443 1.00 1.11 C ATOM 734 CD ARG A 54 -10.743 7.352 -6.157 1.00 1.37 C ATOM 735 NE ARG A 54 -9.697 8.390 -6.196 1.00 2.13 N ATOM 736 CZ ARG A 54 -9.662 9.451 -7.045 1.00 3.01 C ATOM 737 NH1 ARG A 54 -10.637 9.673 -7.946 1.00 3.33 N ATOM 738 NH2 ARG A 54 -8.636 10.305 -6.980 1.00 4.04 N ATOM 0 H ARG A 54 -11.615 5.524 -2.281 1.00 0.42 H new ATOM 0 HA ARG A 54 -10.673 8.039 -3.156 1.00 0.50 H new ATOM 0 HB2 ARG A 54 -12.053 5.996 -4.318 1.00 0.57 H new ATOM 0 HB3 ARG A 54 -13.407 7.059 -3.987 1.00 0.57 H new ATOM 0 HG2 ARG A 54 -12.868 7.740 -6.127 1.00 1.11 H new ATOM 0 HG3 ARG A 54 -11.923 8.885 -5.196 1.00 1.11 H new ATOM 0 HD2 ARG A 54 -10.355 6.469 -5.649 1.00 1.37 H new ATOM 0 HD3 ARG A 54 -10.989 7.051 -7.175 1.00 1.37 H new ATOM 0 HE ARG A 54 -8.932 8.305 -5.527 1.00 2.13 H new ATOM 0 HH11 ARG A 54 -11.431 9.036 -8.005 1.00 3.33 H new ATOM 0 HH12 ARG A 54 -10.582 10.478 -8.569 1.00 3.33 H new ATOM 0 HH21 ARG A 54 -7.891 10.157 -6.299 1.00 4.04 H new ATOM 0 HH22 ARG A 54 -8.598 11.105 -7.611 1.00 4.04 H new ATOM 746 N LEU A 55 -13.609 8.159 -1.528 1.00 0.50 N ATOM 747 CA LEU A 55 -14.565 9.060 -0.824 1.00 0.55 C ATOM 748 C LEU A 55 -13.986 9.673 0.477 1.00 0.55 C ATOM 749 O LEU A 55 -14.310 10.823 0.800 1.00 0.61 O ATOM 750 CB LEU A 55 -15.921 8.348 -0.545 1.00 0.61 C ATOM 751 CG LEU A 55 -15.876 7.000 0.252 1.00 0.86 C ATOM 752 CD1 LEU A 55 -16.170 7.214 1.744 1.00 1.31 C ATOM 753 CD2 LEU A 55 -16.853 5.971 -0.345 1.00 1.37 C ATOM 0 H LEU A 55 -13.863 7.172 -1.482 1.00 0.50 H new ATOM 0 HA LEU A 55 -14.745 9.892 -1.505 1.00 0.55 H new ATOM 0 HB2 LEU A 55 -16.560 9.042 0.002 1.00 0.61 H new ATOM 0 HB3 LEU A 55 -16.405 8.157 -1.503 1.00 0.61 H new ATOM 0 HG LEU A 55 -14.863 6.607 0.163 1.00 0.86 H new ATOM 0 HD11 LEU A 55 -16.130 6.257 2.264 1.00 1.31 H new ATOM 0 HD12 LEU A 55 -15.426 7.889 2.168 1.00 1.31 H new ATOM 0 HD13 LEU A 55 -17.163 7.649 1.861 1.00 1.31 H new ATOM 0 HD21 LEU A 55 -16.801 5.045 0.228 1.00 1.37 H new ATOM 0 HD22 LEU A 55 -17.868 6.366 -0.304 1.00 1.37 H new ATOM 0 HD23 LEU A 55 -16.583 5.772 -1.382 1.00 1.37 H new ATOM 763 N SER A 56 -13.128 8.918 1.213 1.00 0.52 N ATOM 764 CA SER A 56 -12.508 9.416 2.472 1.00 0.58 C ATOM 765 C SER A 56 -11.421 10.489 2.201 1.00 0.62 C ATOM 766 O SER A 56 -11.313 11.455 2.965 1.00 1.17 O ATOM 767 CB SER A 56 -11.921 8.254 3.300 1.00 0.56 C ATOM 768 OG SER A 56 -10.939 7.535 2.571 1.00 1.28 O ATOM 0 H SER A 56 -12.851 7.970 0.960 1.00 0.52 H new ATOM 0 HA SER A 56 -13.302 9.889 3.050 1.00 0.58 H new ATOM 0 HB2 SER A 56 -11.480 8.646 4.216 1.00 0.56 H new ATOM 0 HB3 SER A 56 -12.722 7.577 3.597 1.00 0.56 H new ATOM 0 HG SER A 56 -11.376 6.853 2.019 1.00 1.28 H new ATOM 772 N GLY A 57 -10.633 10.314 1.105 1.00 0.48 N ATOM 773 CA GLY A 57 -9.577 11.270 0.730 1.00 0.45 C ATOM 774 C GLY A 57 -8.159 10.723 0.902 1.00 0.35 C ATOM 775 O GLY A 57 -7.280 11.453 1.374 1.00 0.47 O ATOM 0 H GLY A 57 -10.716 9.518 0.473 1.00 0.48 H new ATOM 0 HA2 GLY A 57 -9.719 11.564 -0.310 1.00 0.45 H new ATOM 0 HA3 GLY A 57 -9.684 12.171 1.334 1.00 0.45 H new ATOM 779 N ILE A 58 -7.930 9.444 0.507 1.00 0.36 N ATOM 780 CA ILE A 58 -6.602 8.792 0.604 1.00 0.31 C ATOM 781 C ILE A 58 -6.192 8.251 -0.796 1.00 0.32 C ATOM 782 O ILE A 58 -6.898 7.385 -1.333 1.00 0.33 O ATOM 783 CB ILE A 58 -6.585 7.616 1.660 1.00 0.28 C ATOM 784 CG1 ILE A 58 -7.148 8.081 3.040 1.00 0.30 C ATOM 785 CG2 ILE A 58 -5.158 7.037 1.828 1.00 0.28 C ATOM 786 CD1 ILE A 58 -7.541 6.950 3.984 1.00 0.35 C ATOM 0 H ILE A 58 -8.655 8.842 0.116 1.00 0.36 H new ATOM 0 HA ILE A 58 -5.888 9.541 0.945 1.00 0.31 H new ATOM 0 HB ILE A 58 -7.234 6.828 1.277 1.00 0.28 H new ATOM 0 HG12 ILE A 58 -6.399 8.702 3.532 1.00 0.30 H new ATOM 0 HG13 ILE A 58 -8.021 8.711 2.867 1.00 0.30 H new ATOM 0 HG21 ILE A 58 -5.177 6.230 2.560 1.00 0.28 H new ATOM 0 HG22 ILE A 58 -4.807 6.651 0.871 1.00 0.28 H new ATOM 0 HG23 ILE A 58 -4.485 7.823 2.171 1.00 0.28 H new ATOM 0 HD11 ILE A 58 -7.921 7.369 4.916 1.00 0.35 H new ATOM 0 HD12 ILE A 58 -8.315 6.340 3.519 1.00 0.35 H new ATOM 0 HD13 ILE A 58 -6.669 6.331 4.193 1.00 0.35 H new ATOM 796 N PRO A 59 -5.059 8.740 -1.427 1.00 0.35 N ATOM 797 CA PRO A 59 -4.623 8.260 -2.762 1.00 0.39 C ATOM 798 C PRO A 59 -4.187 6.774 -2.764 1.00 0.36 C ATOM 799 O PRO A 59 -3.557 6.298 -1.797 1.00 0.37 O ATOM 800 CB PRO A 59 -3.437 9.183 -3.130 1.00 0.45 C ATOM 801 CG PRO A 59 -3.511 10.325 -2.178 1.00 0.46 C ATOM 802 CD PRO A 59 -4.129 9.783 -0.924 1.00 0.41 C ATOM 0 HA PRO A 59 -5.442 8.303 -3.479 1.00 0.39 H new ATOM 0 HB2 PRO A 59 -2.487 8.657 -3.038 1.00 0.45 H new ATOM 0 HB3 PRO A 59 -3.513 9.527 -4.162 1.00 0.45 H new ATOM 0 HG2 PRO A 59 -2.519 10.731 -1.979 1.00 0.46 H new ATOM 0 HG3 PRO A 59 -4.112 11.136 -2.589 1.00 0.46 H new ATOM 0 HD2 PRO A 59 -3.378 9.364 -0.254 1.00 0.41 H new ATOM 0 HD3 PRO A 59 -4.656 10.558 -0.367 1.00 0.41 H new ATOM 804 N VAL A 60 -4.530 6.055 -3.860 1.00 0.36 N ATOM 805 CA VAL A 60 -4.189 4.626 -4.023 1.00 0.33 C ATOM 806 C VAL A 60 -3.165 4.457 -5.156 1.00 0.39 C ATOM 807 O VAL A 60 -3.301 5.094 -6.209 1.00 0.50 O ATOM 808 CB VAL A 60 -5.441 3.720 -4.333 1.00 0.36 C ATOM 809 CG1 VAL A 60 -5.140 2.228 -4.086 1.00 0.36 C ATOM 810 CG2 VAL A 60 -6.664 4.149 -3.524 1.00 0.39 C ATOM 0 H VAL A 60 -5.046 6.447 -4.648 1.00 0.36 H new ATOM 0 HA VAL A 60 -3.774 4.300 -3.069 1.00 0.33 H new ATOM 0 HB VAL A 60 -5.667 3.854 -5.391 1.00 0.36 H new ATOM 0 HG11 VAL A 60 -6.027 1.636 -4.311 1.00 0.36 H new ATOM 0 HG12 VAL A 60 -4.319 1.911 -4.730 1.00 0.36 H new ATOM 0 HG13 VAL A 60 -4.860 2.081 -3.043 1.00 0.36 H new ATOM 0 HG21 VAL A 60 -7.506 3.500 -3.766 1.00 0.39 H new ATOM 0 HG22 VAL A 60 -6.441 4.073 -2.460 1.00 0.39 H new ATOM 0 HG23 VAL A 60 -6.919 5.180 -3.769 1.00 0.39 H new ATOM 820 N TYR A 61 -2.161 3.578 -4.941 1.00 0.35 N ATOM 821 CA TYR A 61 -1.128 3.300 -5.947 1.00 0.41 C ATOM 822 C TYR A 61 -1.154 1.813 -6.351 1.00 0.39 C ATOM 823 O TYR A 61 -0.878 0.931 -5.524 1.00 0.32 O ATOM 824 CB TYR A 61 0.279 3.703 -5.427 1.00 0.46 C ATOM 825 CG TYR A 61 1.432 3.384 -6.398 1.00 0.53 C ATOM 826 CD1 TYR A 61 1.522 4.007 -7.645 1.00 0.63 C ATOM 827 CD2 TYR A 61 2.406 2.438 -6.075 1.00 0.56 C ATOM 828 CE1 TYR A 61 2.538 3.698 -8.528 1.00 0.73 C ATOM 829 CE2 TYR A 61 3.426 2.131 -6.955 1.00 0.65 C ATOM 830 CZ TYR A 61 3.487 2.761 -8.179 1.00 0.72 C ATOM 831 OH TYR A 61 4.500 2.452 -9.060 1.00 0.83 O ATOM 0 H TYR A 61 -2.050 3.051 -4.075 1.00 0.35 H new ATOM 0 HA TYR A 61 -1.344 3.901 -6.830 1.00 0.41 H new ATOM 0 HB2 TYR A 61 0.283 4.773 -5.217 1.00 0.46 H new ATOM 0 HB3 TYR A 61 0.464 3.192 -4.482 1.00 0.46 H new ATOM 0 HD1 TYR A 61 0.783 4.744 -7.924 1.00 0.63 H new ATOM 0 HD2 TYR A 61 2.362 1.937 -5.119 1.00 0.56 H new ATOM 0 HE1 TYR A 61 2.589 4.189 -9.489 1.00 0.73 H new ATOM 0 HE2 TYR A 61 4.173 1.400 -6.684 1.00 0.65 H new ATOM 0 HH TYR A 61 5.085 1.775 -8.661 1.00 0.83 H new ATOM 839 N GLU A 62 -1.461 1.550 -7.641 1.00 0.49 N ATOM 840 CA GLU A 62 -1.483 0.177 -8.187 1.00 0.52 C ATOM 841 C GLU A 62 -0.032 -0.318 -8.397 1.00 0.50 C ATOM 842 O GLU A 62 0.690 0.208 -9.255 1.00 0.59 O ATOM 843 CB GLU A 62 -2.270 0.107 -9.519 1.00 0.68 C ATOM 844 CG GLU A 62 -3.774 0.337 -9.370 1.00 1.24 C ATOM 845 CD GLU A 62 -4.542 0.068 -10.654 1.00 1.83 C ATOM 846 OE1 GLU A 62 -4.513 0.931 -11.556 1.00 2.35 O ATOM 847 OE2 GLU A 62 -5.168 -1.008 -10.758 1.00 2.47 O ATOM 0 H GLU A 62 -1.697 2.272 -8.322 1.00 0.49 H new ATOM 0 HA GLU A 62 -1.991 -0.468 -7.471 1.00 0.52 H new ATOM 0 HB2 GLU A 62 -1.866 0.850 -10.206 1.00 0.68 H new ATOM 0 HB3 GLU A 62 -2.106 -0.870 -9.974 1.00 0.68 H new ATOM 0 HG2 GLU A 62 -4.159 -0.308 -8.580 1.00 1.24 H new ATOM 0 HG3 GLU A 62 -3.950 1.366 -9.056 1.00 1.24 H new ATOM 850 N PHE A 63 0.385 -1.323 -7.592 1.00 0.42 N ATOM 851 CA PHE A 63 1.748 -1.904 -7.655 1.00 0.41 C ATOM 852 C PHE A 63 1.965 -2.672 -8.980 1.00 0.44 C ATOM 853 O PHE A 63 1.124 -3.491 -9.368 1.00 0.42 O ATOM 854 CB PHE A 63 1.979 -2.823 -6.425 1.00 0.41 C ATOM 855 CG PHE A 63 3.322 -3.539 -6.365 1.00 0.39 C ATOM 856 CD1 PHE A 63 4.518 -2.837 -6.497 1.00 0.60 C ATOM 857 CD2 PHE A 63 3.383 -4.915 -6.169 1.00 0.43 C ATOM 858 CE1 PHE A 63 5.727 -3.491 -6.433 1.00 0.67 C ATOM 859 CE2 PHE A 63 4.595 -5.565 -6.108 1.00 0.47 C ATOM 860 CZ PHE A 63 5.763 -4.852 -6.239 1.00 0.53 C ATOM 0 H PHE A 63 -0.210 -1.753 -6.884 1.00 0.42 H new ATOM 0 HA PHE A 63 2.479 -1.096 -7.630 1.00 0.41 H new ATOM 0 HB2 PHE A 63 1.870 -2.222 -5.522 1.00 0.41 H new ATOM 0 HB3 PHE A 63 1.189 -3.574 -6.405 1.00 0.41 H new ATOM 0 HD1 PHE A 63 4.496 -1.768 -6.651 1.00 0.60 H new ATOM 0 HD2 PHE A 63 2.469 -5.480 -6.063 1.00 0.43 H new ATOM 0 HE1 PHE A 63 6.648 -2.936 -6.535 1.00 0.67 H new ATOM 0 HE2 PHE A 63 4.628 -6.634 -5.957 1.00 0.47 H new ATOM 0 HZ PHE A 63 6.713 -5.363 -6.189 1.00 0.53 H new ATOM 868 N GLU A 64 3.106 -2.393 -9.662 1.00 0.61 N ATOM 869 CA GLU A 64 3.455 -3.047 -10.944 1.00 0.70 C ATOM 870 C GLU A 64 4.197 -4.379 -10.683 1.00 0.62 C ATOM 871 O GLU A 64 5.425 -4.469 -10.846 1.00 0.89 O ATOM 872 CB GLU A 64 4.300 -2.097 -11.835 1.00 0.97 C ATOM 873 CG GLU A 64 3.533 -0.884 -12.367 1.00 1.61 C ATOM 874 CD GLU A 64 4.378 0.006 -13.265 1.00 1.90 C ATOM 875 OE1 GLU A 64 4.522 -0.323 -14.461 1.00 2.46 O ATOM 876 OE2 GLU A 64 4.896 1.030 -12.770 1.00 2.08 O ATOM 0 H GLU A 64 3.800 -1.717 -9.342 1.00 0.61 H new ATOM 0 HA GLU A 64 2.534 -3.272 -11.482 1.00 0.70 H new ATOM 0 HB2 GLU A 64 5.158 -1.747 -11.261 1.00 0.97 H new ATOM 0 HB3 GLU A 64 4.692 -2.663 -12.680 1.00 0.97 H new ATOM 0 HG2 GLU A 64 2.661 -1.228 -12.923 1.00 1.61 H new ATOM 0 HG3 GLU A 64 3.164 -0.297 -11.526 1.00 1.61 H new ATOM 879 N GLY A 65 3.430 -5.411 -10.267 1.00 0.62 N ATOM 880 CA GLY A 65 4.003 -6.729 -9.977 1.00 0.64 C ATOM 881 C GLY A 65 2.969 -7.735 -9.477 1.00 0.62 C ATOM 882 O GLY A 65 1.869 -7.813 -10.037 1.00 0.82 O ATOM 0 H GLY A 65 2.421 -5.350 -10.128 1.00 0.62 H new ATOM 0 HA2 GLY A 65 4.475 -7.120 -10.879 1.00 0.64 H new ATOM 0 HA3 GLY A 65 4.787 -6.621 -9.228 1.00 0.64 H new ATOM 886 N THR A 66 3.325 -8.513 -8.428 1.00 0.63 N ATOM 887 CA THR A 66 2.425 -9.537 -7.845 1.00 0.67 C ATOM 888 C THR A 66 2.483 -9.522 -6.302 1.00 0.60 C ATOM 889 O THR A 66 3.403 -8.934 -5.716 1.00 0.56 O ATOM 890 CB THR A 66 2.772 -10.977 -8.359 1.00 0.83 C ATOM 891 OG1 THR A 66 4.115 -11.332 -7.991 1.00 1.53 O ATOM 892 CG2 THR A 66 2.620 -11.101 -9.879 1.00 1.42 C ATOM 0 H THR A 66 4.232 -8.451 -7.966 1.00 0.63 H new ATOM 0 HA THR A 66 1.416 -9.283 -8.169 1.00 0.67 H new ATOM 0 HB THR A 66 2.063 -11.658 -7.888 1.00 0.83 H new ATOM 0 HG1 THR A 66 4.316 -12.234 -8.317 1.00 1.53 H new ATOM 0 HG21 THR A 66 2.871 -12.116 -10.188 1.00 1.42 H new ATOM 0 HG22 THR A 66 1.591 -10.880 -10.161 1.00 1.42 H new ATOM 0 HG23 THR A 66 3.290 -10.396 -10.370 1.00 1.42 H new ATOM 900 N SER A 67 1.502 -10.201 -5.650 1.00 0.61 N ATOM 901 CA SER A 67 1.439 -10.299 -4.166 1.00 0.58 C ATOM 902 C SER A 67 2.656 -11.069 -3.584 1.00 0.56 C ATOM 903 O SER A 67 3.093 -10.770 -2.465 1.00 0.54 O ATOM 904 CB SER A 67 0.117 -10.957 -3.712 1.00 0.67 C ATOM 905 OG SER A 67 -0.136 -12.167 -4.415 1.00 1.25 O ATOM 0 H SER A 67 0.744 -10.688 -6.128 1.00 0.61 H new ATOM 0 HA SER A 67 1.475 -9.282 -3.776 1.00 0.58 H new ATOM 0 HB2 SER A 67 0.160 -11.160 -2.642 1.00 0.67 H new ATOM 0 HB3 SER A 67 -0.709 -10.264 -3.872 1.00 0.67 H new ATOM 0 HG SER A 67 -0.979 -12.557 -4.102 1.00 1.25 H new ATOM 909 N VAL A 68 3.220 -12.032 -4.370 1.00 0.64 N ATOM 910 CA VAL A 68 4.413 -12.820 -3.959 1.00 0.67 C ATOM 911 C VAL A 68 5.657 -11.894 -3.900 1.00 0.58 C ATOM 912 O VAL A 68 6.391 -11.908 -2.903 1.00 0.59 O ATOM 913 CB VAL A 68 4.694 -14.044 -4.924 1.00 0.79 C ATOM 914 CG1 VAL A 68 5.847 -14.931 -4.411 1.00 0.84 C ATOM 915 CG2 VAL A 68 3.431 -14.897 -5.142 1.00 0.97 C ATOM 0 H VAL A 68 2.864 -12.279 -5.293 1.00 0.64 H new ATOM 0 HA VAL A 68 4.207 -13.232 -2.971 1.00 0.67 H new ATOM 0 HB VAL A 68 4.993 -13.618 -5.881 1.00 0.79 H new ATOM 0 HG11 VAL A 68 6.005 -15.758 -5.103 1.00 0.84 H new ATOM 0 HG12 VAL A 68 6.759 -14.338 -4.340 1.00 0.84 H new ATOM 0 HG13 VAL A 68 5.593 -15.325 -3.427 1.00 0.84 H new ATOM 0 HG21 VAL A 68 3.663 -15.727 -5.809 1.00 0.97 H new ATOM 0 HG22 VAL A 68 3.086 -15.287 -4.185 1.00 0.97 H new ATOM 0 HG23 VAL A 68 2.649 -14.282 -5.587 1.00 0.97 H new ATOM 925 N GLU A 69 5.861 -11.069 -4.966 1.00 0.57 N ATOM 926 CA GLU A 69 6.991 -10.106 -5.035 1.00 0.55 C ATOM 927 C GLU A 69 6.837 -8.989 -3.978 1.00 0.48 C ATOM 928 O GLU A 69 7.833 -8.585 -3.373 1.00 0.52 O ATOM 929 CB GLU A 69 7.121 -9.483 -6.447 1.00 0.65 C ATOM 930 CG GLU A 69 7.661 -10.446 -7.510 1.00 1.35 C ATOM 931 CD GLU A 69 8.111 -9.741 -8.781 1.00 1.73 C ATOM 932 OE1 GLU A 69 9.156 -9.057 -8.742 1.00 2.65 O ATOM 933 OE2 GLU A 69 7.422 -9.875 -9.813 1.00 1.82 O ATOM 0 H GLU A 69 5.256 -11.054 -5.787 1.00 0.57 H new ATOM 0 HA GLU A 69 7.902 -10.666 -4.822 1.00 0.55 H new ATOM 0 HB2 GLU A 69 6.143 -9.121 -6.764 1.00 0.65 H new ATOM 0 HB3 GLU A 69 7.779 -8.616 -6.390 1.00 0.65 H new ATOM 0 HG2 GLU A 69 8.500 -11.003 -7.094 1.00 1.35 H new ATOM 0 HG3 GLU A 69 6.888 -11.173 -7.759 1.00 1.35 H new ATOM 936 N LEU A 70 5.580 -8.515 -3.742 1.00 0.44 N ATOM 937 CA LEU A 70 5.298 -7.464 -2.730 1.00 0.41 C ATOM 938 C LEU A 70 5.614 -7.974 -1.302 1.00 0.48 C ATOM 939 O LEU A 70 6.251 -7.255 -0.517 1.00 0.56 O ATOM 940 CB LEU A 70 3.823 -6.982 -2.833 1.00 0.41 C ATOM 941 CG LEU A 70 3.428 -5.716 -2.014 1.00 0.38 C ATOM 942 CD1 LEU A 70 4.304 -4.501 -2.355 1.00 0.41 C ATOM 943 CD2 LEU A 70 1.940 -5.389 -2.218 1.00 0.43 C ATOM 0 H LEU A 70 4.752 -8.845 -4.238 1.00 0.44 H new ATOM 0 HA LEU A 70 5.948 -6.613 -2.935 1.00 0.41 H new ATOM 0 HB2 LEU A 70 3.604 -6.787 -3.883 1.00 0.41 H new ATOM 0 HB3 LEU A 70 3.177 -7.802 -2.520 1.00 0.41 H new ATOM 0 HG LEU A 70 3.601 -5.945 -0.962 1.00 0.38 H new ATOM 0 HD11 LEU A 70 3.988 -3.646 -1.758 1.00 0.41 H new ATOM 0 HD12 LEU A 70 5.347 -4.731 -2.136 1.00 0.41 H new ATOM 0 HD13 LEU A 70 4.200 -4.263 -3.414 1.00 0.41 H new ATOM 0 HD21 LEU A 70 1.680 -4.503 -1.640 1.00 0.43 H new ATOM 0 HD22 LEU A 70 1.750 -5.201 -3.275 1.00 0.43 H new ATOM 0 HD23 LEU A 70 1.333 -6.231 -1.884 1.00 0.43 H new ATOM 953 N GLY A 71 5.195 -9.235 -0.992 1.00 0.54 N ATOM 954 CA GLY A 71 5.465 -9.850 0.316 1.00 0.68 C ATOM 955 C GLY A 71 6.958 -10.091 0.551 1.00 0.71 C ATOM 956 O GLY A 71 7.484 -9.706 1.602 1.00 0.84 O ATOM 0 H GLY A 71 4.673 -9.832 -1.634 1.00 0.54 H new ATOM 0 HA2 GLY A 71 5.075 -9.206 1.104 1.00 0.68 H new ATOM 0 HA3 GLY A 71 4.931 -10.798 0.386 1.00 0.68 H new ATOM 960 N THR A 72 7.651 -10.692 -0.456 1.00 0.65 N ATOM 961 CA THR A 72 9.116 -10.952 -0.391 1.00 0.75 C ATOM 962 C THR A 72 9.912 -9.624 -0.266 1.00 0.75 C ATOM 963 O THR A 72 10.932 -9.576 0.431 1.00 0.88 O ATOM 964 CB THR A 72 9.607 -11.750 -1.653 1.00 0.80 C ATOM 965 OG1 THR A 72 8.827 -12.952 -1.815 1.00 1.46 O ATOM 966 CG2 THR A 72 11.099 -12.122 -1.586 1.00 1.12 C ATOM 0 H THR A 72 7.216 -11.006 -1.324 1.00 0.65 H new ATOM 0 HA THR A 72 9.300 -11.557 0.497 1.00 0.75 H new ATOM 0 HB THR A 72 9.472 -11.088 -2.509 1.00 0.80 H new ATOM 0 HG1 THR A 72 7.949 -12.725 -2.187 1.00 1.46 H new ATOM 0 HG21 THR A 72 11.378 -12.671 -2.485 1.00 1.12 H new ATOM 0 HG22 THR A 72 11.698 -11.214 -1.515 1.00 1.12 H new ATOM 0 HG23 THR A 72 11.280 -12.745 -0.710 1.00 1.12 H new ATOM 974 N LEU A 73 9.423 -8.554 -0.945 1.00 0.65 N ATOM 975 CA LEU A 73 10.061 -7.220 -0.923 1.00 0.73 C ATOM 976 C LEU A 73 9.918 -6.533 0.459 1.00 0.84 C ATOM 977 O LEU A 73 10.889 -5.950 0.955 1.00 0.97 O ATOM 978 CB LEU A 73 9.470 -6.340 -2.057 1.00 0.71 C ATOM 979 CG LEU A 73 10.077 -4.926 -2.254 1.00 0.91 C ATOM 980 CD1 LEU A 73 11.584 -4.980 -2.582 1.00 1.51 C ATOM 981 CD2 LEU A 73 9.298 -4.163 -3.338 1.00 1.47 C ATOM 0 H LEU A 73 8.580 -8.595 -1.518 1.00 0.65 H new ATOM 0 HA LEU A 73 11.130 -7.348 -1.096 1.00 0.73 H new ATOM 0 HB2 LEU A 73 9.574 -6.885 -2.995 1.00 0.71 H new ATOM 0 HB3 LEU A 73 8.402 -6.225 -1.872 1.00 0.71 H new ATOM 0 HG LEU A 73 9.983 -4.389 -1.310 1.00 0.91 H new ATOM 0 HD11 LEU A 73 11.965 -3.967 -2.711 1.00 1.51 H new ATOM 0 HD12 LEU A 73 12.117 -5.466 -1.765 1.00 1.51 H new ATOM 0 HD13 LEU A 73 11.736 -5.545 -3.502 1.00 1.51 H new ATOM 0 HD21 LEU A 73 9.732 -3.172 -3.468 1.00 1.47 H new ATOM 0 HD22 LEU A 73 9.354 -4.710 -4.279 1.00 1.47 H new ATOM 0 HD23 LEU A 73 8.255 -4.065 -3.036 1.00 1.47 H new ATOM 991 N LEU A 74 8.713 -6.622 1.079 1.00 0.84 N ATOM 992 CA LEU A 74 8.453 -6.026 2.420 1.00 1.03 C ATOM 993 C LEU A 74 9.244 -6.747 3.546 1.00 1.24 C ATOM 994 O LEU A 74 9.548 -6.125 4.571 1.00 1.47 O ATOM 995 CB LEU A 74 6.936 -6.065 2.751 1.00 1.01 C ATOM 996 CG LEU A 74 6.047 -5.063 1.963 1.00 0.93 C ATOM 997 CD1 LEU A 74 4.613 -5.585 1.821 1.00 1.79 C ATOM 998 CD2 LEU A 74 6.057 -3.675 2.621 1.00 1.14 C ATOM 0 H LEU A 74 7.907 -7.099 0.675 1.00 0.84 H new ATOM 0 HA LEU A 74 8.794 -4.992 2.376 1.00 1.03 H new ATOM 0 HB2 LEU A 74 6.568 -7.074 2.563 1.00 1.01 H new ATOM 0 HB3 LEU A 74 6.811 -5.873 3.817 1.00 1.01 H new ATOM 0 HG LEU A 74 6.471 -4.966 0.963 1.00 0.93 H new ATOM 0 HD11 LEU A 74 4.016 -4.862 1.265 1.00 1.79 H new ATOM 0 HD12 LEU A 74 4.623 -6.535 1.286 1.00 1.79 H new ATOM 0 HD13 LEU A 74 4.179 -5.730 2.810 1.00 1.79 H new ATOM 0 HD21 LEU A 74 5.426 -2.996 2.047 1.00 1.14 H new ATOM 0 HD22 LEU A 74 5.675 -3.752 3.639 1.00 1.14 H new ATOM 0 HD23 LEU A 74 7.077 -3.291 2.644 1.00 1.14 H new ATOM 1008 N GLY A 75 9.549 -8.059 3.351 1.00 1.24 N ATOM 1009 CA GLY A 75 10.271 -8.865 4.348 1.00 1.50 C ATOM 1010 C GLY A 75 9.418 -9.993 4.952 1.00 1.63 C ATOM 1011 O GLY A 75 9.936 -10.785 5.746 1.00 2.22 O ATOM 0 H GLY A 75 9.301 -8.573 2.506 1.00 1.24 H new ATOM 0 HA2 GLY A 75 11.156 -9.298 3.883 1.00 1.50 H new ATOM 0 HA3 GLY A 75 10.619 -8.213 5.149 1.00 1.50 H new ATOM 1015 N ARG A 76 8.111 -10.070 4.574 1.00 1.47 N ATOM 1016 CA ARG A 76 7.181 -11.103 5.072 1.00 1.63 C ATOM 1017 C ARG A 76 7.158 -12.316 4.106 1.00 1.48 C ATOM 1018 O ARG A 76 7.096 -12.111 2.888 1.00 1.41 O ATOM 1019 CB ARG A 76 5.752 -10.493 5.206 1.00 1.84 C ATOM 1020 CG ARG A 76 4.863 -11.126 6.286 1.00 1.98 C ATOM 1021 CD ARG A 76 5.246 -10.675 7.700 1.00 2.35 C ATOM 1022 NE ARG A 76 4.375 -11.259 8.738 1.00 3.01 N ATOM 1023 CZ ARG A 76 3.123 -10.834 9.062 1.00 3.50 C ATOM 1024 NH1 ARG A 76 2.508 -9.853 8.376 1.00 3.60 N ATOM 1025 NH2 ARG A 76 2.474 -11.420 10.072 1.00 4.36 N ATOM 0 H ARG A 76 7.682 -9.417 3.918 1.00 1.47 H new ATOM 0 HA ARG A 76 7.518 -11.448 6.050 1.00 1.63 H new ATOM 0 HB2 ARG A 76 5.849 -9.428 5.418 1.00 1.84 H new ATOM 0 HB3 ARG A 76 5.246 -10.582 4.245 1.00 1.84 H new ATOM 0 HG2 ARG A 76 3.822 -10.865 6.094 1.00 1.98 H new ATOM 0 HG3 ARG A 76 4.936 -12.212 6.222 1.00 1.98 H new ATOM 0 HD2 ARG A 76 6.280 -10.956 7.899 1.00 2.35 H new ATOM 0 HD3 ARG A 76 5.194 -9.588 7.757 1.00 2.35 H new ATOM 0 HE ARG A 76 4.745 -12.053 9.260 1.00 3.01 H new ATOM 0 HH11 ARG A 76 2.981 -9.407 7.590 1.00 3.60 H new ATOM 0 HH12 ARG A 76 1.569 -9.556 8.642 1.00 3.60 H new ATOM 0 HH21 ARG A 76 2.917 -12.178 10.592 1.00 4.36 H new ATOM 0 HH22 ARG A 76 1.535 -11.110 10.324 1.00 4.36 H new ATOM 1033 N PRO A 77 7.178 -13.604 4.609 1.00 1.57 N ATOM 1034 CA PRO A 77 7.130 -14.793 3.724 1.00 1.60 C ATOM 1035 C PRO A 77 5.710 -15.088 3.149 1.00 1.55 C ATOM 1036 O PRO A 77 5.567 -15.975 2.299 1.00 1.73 O ATOM 1037 CB PRO A 77 7.623 -15.925 4.643 1.00 1.89 C ATOM 1038 CG PRO A 77 7.218 -15.518 6.019 1.00 1.91 C ATOM 1039 CD PRO A 77 7.219 -14.008 6.045 1.00 1.81 C ATOM 0 HA PRO A 77 7.736 -14.660 2.828 1.00 1.60 H new ATOM 0 HB2 PRO A 77 7.175 -16.879 4.367 1.00 1.89 H new ATOM 0 HB3 PRO A 77 8.704 -16.048 4.571 1.00 1.89 H new ATOM 0 HG2 PRO A 77 6.230 -15.908 6.263 1.00 1.91 H new ATOM 0 HG3 PRO A 77 7.910 -15.918 6.760 1.00 1.91 H new ATOM 0 HD2 PRO A 77 6.358 -13.621 6.590 1.00 1.81 H new ATOM 0 HD3 PRO A 77 8.110 -13.621 6.540 1.00 1.81 H new ATOM 1041 N HIS A 78 4.675 -14.333 3.613 1.00 1.55 N ATOM 1042 CA HIS A 78 3.279 -14.493 3.155 1.00 1.56 C ATOM 1043 C HIS A 78 2.994 -13.564 1.957 1.00 1.37 C ATOM 1044 O HIS A 78 3.704 -12.568 1.760 1.00 1.90 O ATOM 1045 CB HIS A 78 2.292 -14.175 4.308 1.00 1.86 C ATOM 1046 CG HIS A 78 2.485 -15.006 5.552 1.00 1.97 C ATOM 1047 ND1 HIS A 78 1.555 -15.923 5.995 1.00 2.84 N ATOM 1048 CD2 HIS A 78 3.506 -15.048 6.451 1.00 1.78 C ATOM 1049 CE1 HIS A 78 1.991 -16.489 7.106 1.00 3.13 C ATOM 1050 NE2 HIS A 78 3.170 -15.976 7.402 1.00 2.47 N ATOM 0 H HIS A 78 4.792 -13.600 4.313 1.00 1.55 H new ATOM 0 HA HIS A 78 3.140 -15.528 2.842 1.00 1.56 H new ATOM 0 HB2 HIS A 78 2.391 -13.122 4.572 1.00 1.86 H new ATOM 0 HB3 HIS A 78 1.274 -14.319 3.946 1.00 1.86 H new ATOM 0 HD2 HIS A 78 4.411 -14.460 6.421 1.00 1.78 H new ATOM 0 HE1 HIS A 78 1.470 -17.244 7.676 1.00 3.13 H new ATOM 0 HE2 HIS A 78 3.740 -16.229 8.209 1.00 2.47 H new ATOM 1057 N THR A 79 1.943 -13.888 1.169 1.00 1.02 N ATOM 1058 CA THR A 79 1.553 -13.078 -0.008 1.00 0.90 C ATOM 1059 C THR A 79 0.733 -11.841 0.428 1.00 0.80 C ATOM 1060 O THR A 79 -0.388 -11.987 0.936 1.00 1.06 O ATOM 1061 CB THR A 79 0.735 -13.912 -1.047 1.00 1.08 C ATOM 1062 OG1 THR A 79 -0.413 -14.509 -0.421 1.00 1.25 O ATOM 1063 CG2 THR A 79 1.587 -15.014 -1.681 1.00 1.21 C ATOM 0 H THR A 79 1.351 -14.703 1.327 1.00 1.02 H new ATOM 0 HA THR A 79 2.475 -12.751 -0.489 1.00 0.90 H new ATOM 0 HB THR A 79 0.414 -13.225 -1.830 1.00 1.08 H new ATOM 0 HG1 THR A 79 -0.837 -13.857 0.175 1.00 1.25 H new ATOM 0 HG21 THR A 79 0.985 -15.573 -2.398 1.00 1.21 H new ATOM 0 HG22 THR A 79 2.438 -14.566 -2.194 1.00 1.21 H new ATOM 0 HG23 THR A 79 1.945 -15.689 -0.904 1.00 1.21 H new ATOM 1071 N VAL A 80 1.305 -10.625 0.230 1.00 0.65 N ATOM 1072 CA VAL A 80 0.636 -9.355 0.602 1.00 0.55 C ATOM 1073 C VAL A 80 -0.208 -8.843 -0.585 1.00 0.48 C ATOM 1074 O VAL A 80 0.335 -8.564 -1.660 1.00 0.56 O ATOM 1075 CB VAL A 80 1.666 -8.245 1.051 1.00 0.62 C ATOM 1076 CG1 VAL A 80 0.968 -6.939 1.487 1.00 1.16 C ATOM 1077 CG2 VAL A 80 2.572 -8.755 2.177 1.00 1.24 C ATOM 0 H VAL A 80 2.228 -10.500 -0.185 1.00 0.65 H new ATOM 0 HA VAL A 80 -0.010 -9.562 1.455 1.00 0.55 H new ATOM 0 HB VAL A 80 2.278 -8.019 0.177 1.00 0.62 H new ATOM 0 HG11 VAL A 80 1.719 -6.208 1.786 1.00 1.16 H new ATOM 0 HG12 VAL A 80 0.386 -6.542 0.655 1.00 1.16 H new ATOM 0 HG13 VAL A 80 0.305 -7.144 2.328 1.00 1.16 H new ATOM 0 HG21 VAL A 80 3.271 -7.970 2.466 1.00 1.24 H new ATOM 0 HG22 VAL A 80 1.962 -9.033 3.037 1.00 1.24 H new ATOM 0 HG23 VAL A 80 3.128 -9.626 1.830 1.00 1.24 H new ATOM 1087 N SER A 81 -1.534 -8.709 -0.367 1.00 0.42 N ATOM 1088 CA SER A 81 -2.470 -8.214 -1.399 1.00 0.47 C ATOM 1089 C SER A 81 -2.547 -6.672 -1.390 1.00 0.38 C ATOM 1090 O SER A 81 -2.612 -6.057 -2.458 1.00 0.39 O ATOM 1091 CB SER A 81 -3.869 -8.822 -1.187 1.00 0.55 C ATOM 1092 OG SER A 81 -3.883 -10.196 -1.536 1.00 1.18 O ATOM 0 H SER A 81 -1.982 -8.938 0.520 1.00 0.42 H new ATOM 0 HA SER A 81 -2.093 -8.526 -2.373 1.00 0.47 H new ATOM 0 HB2 SER A 81 -4.167 -8.705 -0.145 1.00 0.55 H new ATOM 0 HB3 SER A 81 -4.599 -8.282 -1.790 1.00 0.55 H new ATOM 0 HG SER A 81 -4.781 -10.561 -1.392 1.00 1.18 H new ATOM 1096 N ALA A 82 -2.546 -6.058 -0.177 1.00 0.32 N ATOM 1097 CA ALA A 82 -2.622 -4.589 -0.022 1.00 0.30 C ATOM 1098 C ALA A 82 -1.936 -4.115 1.278 1.00 0.30 C ATOM 1099 O ALA A 82 -1.931 -4.843 2.277 1.00 0.34 O ATOM 1100 CB ALA A 82 -4.085 -4.144 -0.045 1.00 0.33 C ATOM 0 H ALA A 82 -2.493 -6.564 0.707 1.00 0.32 H new ATOM 0 HA ALA A 82 -2.089 -4.132 -0.856 1.00 0.30 H new ATOM 0 HB1 ALA A 82 -4.138 -3.061 0.069 1.00 0.33 H new ATOM 0 HB2 ALA A 82 -4.538 -4.431 -0.994 1.00 0.33 H new ATOM 0 HB3 ALA A 82 -4.624 -4.622 0.773 1.00 0.33 H new ATOM 1106 N LEU A 83 -1.366 -2.885 1.253 1.00 0.29 N ATOM 1107 CA LEU A 83 -0.681 -2.285 2.423 1.00 0.31 C ATOM 1108 C LEU A 83 -1.042 -0.790 2.558 1.00 0.28 C ATOM 1109 O LEU A 83 -1.086 -0.072 1.549 1.00 0.30 O ATOM 1110 CB LEU A 83 0.859 -2.478 2.322 1.00 0.37 C ATOM 1111 CG LEU A 83 1.587 -1.762 1.133 1.00 0.44 C ATOM 1112 CD1 LEU A 83 2.203 -0.422 1.569 1.00 0.88 C ATOM 1113 CD2 LEU A 83 2.662 -2.661 0.510 1.00 0.83 C ATOM 0 H LEU A 83 -1.368 -2.286 0.428 1.00 0.29 H new ATOM 0 HA LEU A 83 -1.025 -2.799 3.320 1.00 0.31 H new ATOM 0 HB2 LEU A 83 1.306 -2.129 3.253 1.00 0.37 H new ATOM 0 HB3 LEU A 83 1.063 -3.546 2.251 1.00 0.37 H new ATOM 0 HG LEU A 83 0.829 -1.558 0.377 1.00 0.44 H new ATOM 0 HD11 LEU A 83 2.699 0.045 0.718 1.00 0.88 H new ATOM 0 HD12 LEU A 83 1.417 0.237 1.937 1.00 0.88 H new ATOM 0 HD13 LEU A 83 2.931 -0.597 2.362 1.00 0.88 H new ATOM 0 HD21 LEU A 83 3.147 -2.133 -0.311 1.00 0.83 H new ATOM 0 HD22 LEU A 83 3.405 -2.917 1.265 1.00 0.83 H new ATOM 0 HD23 LEU A 83 2.200 -3.573 0.132 1.00 0.83 H new ATOM 1123 N ALA A 84 -1.293 -0.329 3.807 1.00 0.28 N ATOM 1124 CA ALA A 84 -1.646 1.076 4.084 1.00 0.29 C ATOM 1125 C ALA A 84 -0.476 1.818 4.763 1.00 0.30 C ATOM 1126 O ALA A 84 -0.106 1.495 5.901 1.00 0.34 O ATOM 1127 CB ALA A 84 -2.912 1.151 4.944 1.00 0.35 C ATOM 0 H ALA A 84 -1.256 -0.917 4.640 1.00 0.28 H new ATOM 0 HA ALA A 84 -1.846 1.570 3.133 1.00 0.29 H new ATOM 0 HB1 ALA A 84 -3.158 2.195 5.139 1.00 0.35 H new ATOM 0 HB2 ALA A 84 -3.739 0.676 4.416 1.00 0.35 H new ATOM 0 HB3 ALA A 84 -2.741 0.636 5.889 1.00 0.35 H new ATOM 1133 N VAL A 85 0.092 2.826 4.054 1.00 0.35 N ATOM 1134 CA VAL A 85 1.209 3.650 4.567 1.00 0.42 C ATOM 1135 C VAL A 85 0.624 4.818 5.393 1.00 0.41 C ATOM 1136 O VAL A 85 0.039 5.752 4.822 1.00 0.46 O ATOM 1137 CB VAL A 85 2.136 4.212 3.415 1.00 0.53 C ATOM 1138 CG1 VAL A 85 3.387 4.913 3.982 1.00 0.69 C ATOM 1139 CG2 VAL A 85 2.535 3.106 2.418 1.00 1.05 C ATOM 0 H VAL A 85 -0.212 3.087 3.116 1.00 0.35 H new ATOM 0 HA VAL A 85 1.838 3.013 5.188 1.00 0.42 H new ATOM 0 HB VAL A 85 1.553 4.957 2.874 1.00 0.53 H new ATOM 0 HG11 VAL A 85 3.999 5.286 3.161 1.00 0.69 H new ATOM 0 HG12 VAL A 85 3.082 5.747 4.614 1.00 0.69 H new ATOM 0 HG13 VAL A 85 3.966 4.203 4.572 1.00 0.69 H new ATOM 0 HG21 VAL A 85 3.171 3.529 1.641 1.00 1.05 H new ATOM 0 HG22 VAL A 85 3.078 2.321 2.944 1.00 1.05 H new ATOM 0 HG23 VAL A 85 1.638 2.685 1.963 1.00 1.05 H new ATOM 1149 N VAL A 86 0.775 4.741 6.739 1.00 0.44 N ATOM 1150 CA VAL A 86 0.255 5.771 7.674 1.00 0.46 C ATOM 1151 C VAL A 86 1.213 6.983 7.747 1.00 0.47 C ATOM 1152 O VAL A 86 0.763 8.127 7.611 1.00 0.54 O ATOM 1153 CB VAL A 86 0.005 5.185 9.123 1.00 0.48 C ATOM 1154 CG1 VAL A 86 -0.648 6.218 10.067 1.00 0.53 C ATOM 1155 CG2 VAL A 86 -0.849 3.904 9.066 1.00 0.53 C ATOM 0 H VAL A 86 1.256 3.971 7.204 1.00 0.44 H new ATOM 0 HA VAL A 86 -0.706 6.103 7.280 1.00 0.46 H new ATOM 0 HB VAL A 86 0.985 4.937 9.531 1.00 0.48 H new ATOM 0 HG11 VAL A 86 -0.799 5.769 11.049 1.00 0.53 H new ATOM 0 HG12 VAL A 86 0.003 7.087 10.162 1.00 0.53 H new ATOM 0 HG13 VAL A 86 -1.609 6.528 9.658 1.00 0.53 H new ATOM 0 HG21 VAL A 86 -1.004 3.525 10.076 1.00 0.53 H new ATOM 0 HG22 VAL A 86 -1.814 4.130 8.611 1.00 0.53 H new ATOM 0 HG23 VAL A 86 -0.335 3.150 8.470 1.00 0.53 H new ATOM 1165 N ASP A 87 2.523 6.718 7.972 1.00 0.49 N ATOM 1166 CA ASP A 87 3.546 7.773 8.077 1.00 0.60 C ATOM 1167 C ASP A 87 4.691 7.534 7.053 1.00 0.47 C ATOM 1168 O ASP A 87 5.426 6.550 7.194 1.00 0.62 O ATOM 1169 CB ASP A 87 4.096 7.810 9.528 1.00 0.83 C ATOM 1170 CG ASP A 87 4.766 9.130 9.895 1.00 1.50 C ATOM 1171 OD1 ASP A 87 4.076 10.172 9.883 1.00 1.94 O ATOM 1172 OD2 ASP A 87 5.977 9.118 10.199 1.00 2.15 O ATOM 0 H ASP A 87 2.892 5.774 8.084 1.00 0.49 H new ATOM 0 HA ASP A 87 3.094 8.737 7.844 1.00 0.60 H new ATOM 0 HB2 ASP A 87 3.277 7.623 10.223 1.00 0.83 H new ATOM 0 HB3 ASP A 87 4.814 7.000 9.656 1.00 0.83 H new ATOM 1175 N PRO A 88 4.873 8.416 5.996 1.00 0.45 N ATOM 1176 CA PRO A 88 5.955 8.247 4.990 1.00 0.54 C ATOM 1177 C PRO A 88 7.364 8.446 5.602 1.00 0.93 C ATOM 1178 O PRO A 88 8.257 7.622 5.375 1.00 1.68 O ATOM 1179 CB PRO A 88 5.649 9.324 3.919 1.00 0.69 C ATOM 1180 CG PRO A 88 4.265 9.793 4.209 1.00 0.99 C ATOM 1181 CD PRO A 88 4.066 9.623 5.686 1.00 0.66 C ATOM 0 HA PRO A 88 5.972 7.237 4.580 1.00 0.54 H new ATOM 0 HB2 PRO A 88 6.362 10.147 3.975 1.00 0.69 H new ATOM 0 HB3 PRO A 88 5.720 8.909 2.914 1.00 0.69 H new ATOM 0 HG2 PRO A 88 4.138 10.835 3.917 1.00 0.99 H new ATOM 0 HG3 PRO A 88 3.532 9.213 3.648 1.00 0.99 H new ATOM 0 HD2 PRO A 88 4.412 10.494 6.243 1.00 0.66 H new ATOM 0 HD3 PRO A 88 3.015 9.481 5.938 1.00 0.66 H new ATOM 1183 N GLY A 89 7.539 9.540 6.393 1.00 0.73 N ATOM 1184 CA GLY A 89 8.815 9.837 7.053 1.00 1.09 C ATOM 1185 C GLY A 89 9.903 10.343 6.102 1.00 0.99 C ATOM 1186 O GLY A 89 9.739 11.401 5.485 1.00 1.49 O ATOM 0 H GLY A 89 6.805 10.223 6.581 1.00 0.73 H new ATOM 0 HA2 GLY A 89 8.647 10.585 7.827 1.00 1.09 H new ATOM 0 HA3 GLY A 89 9.173 8.936 7.552 1.00 1.09 H new ATOM 1190 N GLU A 90 11.017 9.580 5.995 1.00 0.73 N ATOM 1191 CA GLU A 90 12.166 9.935 5.123 1.00 0.70 C ATOM 1192 C GLU A 90 11.965 9.459 3.662 1.00 0.68 C ATOM 1193 O GLU A 90 12.452 10.112 2.732 1.00 1.07 O ATOM 1194 CB GLU A 90 13.476 9.332 5.703 1.00 0.95 C ATOM 1195 CG GLU A 90 14.765 10.054 5.285 1.00 1.45 C ATOM 1196 CD GLU A 90 15.073 11.272 6.144 1.00 2.32 C ATOM 1197 OE1 GLU A 90 14.562 12.365 5.827 1.00 3.03 O ATOM 1198 OE2 GLU A 90 15.819 11.129 7.136 1.00 2.82 O ATOM 0 H GLU A 90 11.146 8.707 6.506 1.00 0.73 H new ATOM 0 HA GLU A 90 12.236 11.023 5.103 1.00 0.70 H new ATOM 0 HB2 GLU A 90 13.410 9.339 6.791 1.00 0.95 H new ATOM 0 HB3 GLU A 90 13.546 8.289 5.394 1.00 0.95 H new ATOM 0 HG2 GLU A 90 15.600 9.356 5.342 1.00 1.45 H new ATOM 0 HG3 GLU A 90 14.679 10.364 4.243 1.00 1.45 H new ATOM 1201 N SER A 91 11.267 8.309 3.473 1.00 0.54 N ATOM 1202 CA SER A 91 11.019 7.720 2.133 1.00 0.53 C ATOM 1203 C SER A 91 10.129 8.612 1.238 1.00 0.49 C ATOM 1204 O SER A 91 9.227 9.296 1.737 1.00 0.57 O ATOM 1205 CB SER A 91 10.370 6.329 2.273 1.00 0.65 C ATOM 1206 OG SER A 91 9.083 6.415 2.869 1.00 1.65 O ATOM 0 H SER A 91 10.864 7.769 4.239 1.00 0.54 H new ATOM 0 HA SER A 91 11.991 7.636 1.648 1.00 0.53 H new ATOM 0 HB2 SER A 91 10.287 5.864 1.291 1.00 0.65 H new ATOM 0 HB3 SER A 91 11.010 5.686 2.877 1.00 0.65 H new ATOM 0 HG SER A 91 9.149 6.889 3.724 1.00 1.65 H new ATOM 1210 N ARG A 92 10.381 8.564 -0.095 1.00 0.50 N ATOM 1211 CA ARG A 92 9.602 9.330 -1.096 1.00 0.55 C ATOM 1212 C ARG A 92 8.515 8.417 -1.719 1.00 0.53 C ATOM 1213 O ARG A 92 8.448 8.246 -2.947 1.00 0.68 O ATOM 1214 CB ARG A 92 10.531 9.920 -2.196 1.00 0.72 C ATOM 1215 CG ARG A 92 11.819 10.576 -1.673 1.00 1.39 C ATOM 1216 CD ARG A 92 12.409 11.594 -2.656 1.00 2.08 C ATOM 1217 NE ARG A 92 11.748 12.912 -2.560 1.00 2.69 N ATOM 1218 CZ ARG A 92 11.948 13.833 -1.578 1.00 3.57 C ATOM 1219 NH1 ARG A 92 12.806 13.614 -0.564 1.00 4.00 N ATOM 1220 NH2 ARG A 92 11.274 14.986 -1.616 1.00 4.45 N ATOM 0 H ARG A 92 11.125 7.997 -0.502 1.00 0.50 H new ATOM 0 HA ARG A 92 9.116 10.168 -0.596 1.00 0.55 H new ATOM 0 HB2 ARG A 92 10.802 9.123 -2.888 1.00 0.72 H new ATOM 0 HB3 ARG A 92 9.970 10.660 -2.766 1.00 0.72 H new ATOM 0 HG2 ARG A 92 11.610 11.072 -0.725 1.00 1.39 H new ATOM 0 HG3 ARG A 92 12.559 9.802 -1.471 1.00 1.39 H new ATOM 0 HD2 ARG A 92 13.475 11.709 -2.460 1.00 2.08 H new ATOM 0 HD3 ARG A 92 12.311 11.214 -3.673 1.00 2.08 H new ATOM 0 HE ARG A 92 11.083 13.153 -3.295 1.00 2.69 H new ATOM 0 HH11 ARG A 92 13.327 12.739 -0.517 1.00 4.00 H new ATOM 0 HH12 ARG A 92 12.935 14.323 0.157 1.00 4.00 H new ATOM 0 HH21 ARG A 92 10.618 15.168 -2.375 1.00 4.45 H new ATOM 0 HH22 ARG A 92 11.416 15.684 -0.886 1.00 4.45 H new ATOM 1228 N ILE A 93 7.660 7.822 -0.849 1.00 0.46 N ATOM 1229 CA ILE A 93 6.574 6.914 -1.284 1.00 0.57 C ATOM 1230 C ILE A 93 5.389 7.685 -1.937 1.00 0.61 C ATOM 1231 O ILE A 93 4.726 7.145 -2.830 1.00 0.70 O ATOM 1232 CB ILE A 93 6.088 5.994 -0.089 1.00 0.65 C ATOM 1233 CG1 ILE A 93 5.373 4.706 -0.604 1.00 0.89 C ATOM 1234 CG2 ILE A 93 5.208 6.758 0.922 1.00 0.61 C ATOM 1235 CD1 ILE A 93 6.319 3.614 -1.083 1.00 0.97 C ATOM 0 H ILE A 93 7.704 7.957 0.161 1.00 0.46 H new ATOM 0 HA ILE A 93 6.985 6.265 -2.057 1.00 0.57 H new ATOM 0 HB ILE A 93 6.986 5.682 0.445 1.00 0.65 H new ATOM 0 HG12 ILE A 93 4.750 4.306 0.196 1.00 0.89 H new ATOM 0 HG13 ILE A 93 4.706 4.977 -1.422 1.00 0.89 H new ATOM 0 HG21 ILE A 93 4.901 6.083 1.721 1.00 0.61 H new ATOM 0 HG22 ILE A 93 5.776 7.587 1.345 1.00 0.61 H new ATOM 0 HG23 ILE A 93 4.324 7.145 0.415 1.00 0.61 H new ATOM 0 HD11 ILE A 93 5.741 2.755 -1.424 1.00 0.97 H new ATOM 0 HD12 ILE A 93 6.925 3.993 -1.906 1.00 0.97 H new ATOM 0 HD13 ILE A 93 6.970 3.311 -0.263 1.00 0.97 H new ATOM 1245 N LEU A 94 5.143 8.948 -1.487 1.00 0.60 N ATOM 1246 CA LEU A 94 4.048 9.804 -2.023 1.00 0.70 C ATOM 1247 C LEU A 94 4.266 10.210 -3.506 1.00 0.70 C ATOM 1248 O LEU A 94 3.293 10.528 -4.194 1.00 0.78 O ATOM 1249 CB LEU A 94 3.871 11.078 -1.154 1.00 0.85 C ATOM 1250 CG LEU A 94 3.428 10.845 0.318 1.00 0.81 C ATOM 1251 CD1 LEU A 94 3.700 12.086 1.178 1.00 1.63 C ATOM 1252 CD2 LEU A 94 1.945 10.440 0.399 1.00 1.15 C ATOM 0 H LEU A 94 5.691 9.395 -0.752 1.00 0.60 H new ATOM 0 HA LEU A 94 3.142 9.200 -1.981 1.00 0.70 H new ATOM 0 HB2 LEU A 94 4.815 11.622 -1.146 1.00 0.85 H new ATOM 0 HB3 LEU A 94 3.136 11.723 -1.636 1.00 0.85 H new ATOM 0 HG LEU A 94 4.022 10.021 0.713 1.00 0.81 H new ATOM 0 HD11 LEU A 94 3.381 11.896 2.203 1.00 1.63 H new ATOM 0 HD12 LEU A 94 4.767 12.310 1.166 1.00 1.63 H new ATOM 0 HD13 LEU A 94 3.146 12.935 0.777 1.00 1.63 H new ATOM 0 HD21 LEU A 94 1.667 10.285 1.441 1.00 1.15 H new ATOM 0 HD22 LEU A 94 1.328 11.231 -0.027 1.00 1.15 H new ATOM 0 HD23 LEU A 94 1.789 9.517 -0.160 1.00 1.15 H new ATOM 1262 N ALA A 95 5.534 10.192 -4.000 1.00 0.66 N ATOM 1263 CA ALA A 95 5.845 10.549 -5.409 1.00 0.75 C ATOM 1264 C ALA A 95 5.399 9.453 -6.419 1.00 0.69 C ATOM 1265 O ALA A 95 5.204 9.761 -7.601 1.00 0.78 O ATOM 1266 CB ALA A 95 7.339 10.847 -5.572 1.00 0.86 C ATOM 0 H ALA A 95 6.351 9.936 -3.446 1.00 0.66 H new ATOM 0 HA ALA A 95 5.271 11.447 -5.639 1.00 0.75 H new ATOM 0 HB1 ALA A 95 7.547 11.106 -6.610 1.00 0.86 H new ATOM 0 HB2 ALA A 95 7.616 11.681 -4.927 1.00 0.86 H new ATOM 0 HB3 ALA A 95 7.918 9.966 -5.295 1.00 0.86 H new ATOM 1272 N LEU A 96 5.241 8.181 -5.952 1.00 0.65 N ATOM 1273 CA LEU A 96 4.822 7.046 -6.822 1.00 0.75 C ATOM 1274 C LEU A 96 3.332 7.128 -7.238 1.00 0.80 C ATOM 1275 O LEU A 96 2.989 6.723 -8.354 1.00 0.98 O ATOM 1276 CB LEU A 96 5.062 5.701 -6.088 1.00 1.12 C ATOM 1277 CG LEU A 96 6.541 5.217 -6.024 1.00 0.80 C ATOM 1278 CD1 LEU A 96 6.897 4.681 -4.635 1.00 1.50 C ATOM 1279 CD2 LEU A 96 6.819 4.162 -7.101 1.00 1.57 C ATOM 0 H LEU A 96 5.398 7.918 -4.979 1.00 0.65 H new ATOM 0 HA LEU A 96 5.426 7.106 -7.727 1.00 0.75 H new ATOM 0 HB2 LEU A 96 4.685 5.793 -5.069 1.00 1.12 H new ATOM 0 HB3 LEU A 96 4.468 4.930 -6.579 1.00 1.12 H new ATOM 0 HG LEU A 96 7.177 6.081 -6.218 1.00 0.80 H new ATOM 0 HD11 LEU A 96 7.936 4.352 -4.627 1.00 1.50 H new ATOM 0 HD12 LEU A 96 6.760 5.469 -3.895 1.00 1.50 H new ATOM 0 HD13 LEU A 96 6.248 3.839 -4.393 1.00 1.50 H new ATOM 0 HD21 LEU A 96 7.858 3.840 -7.035 1.00 1.57 H new ATOM 0 HD22 LEU A 96 6.163 3.305 -6.948 1.00 1.57 H new ATOM 0 HD23 LEU A 96 6.633 4.590 -8.086 1.00 1.57 H new ATOM 1289 N GLY A 97 2.461 7.653 -6.346 1.00 0.85 N ATOM 1290 CA GLY A 97 1.029 7.769 -6.656 1.00 1.14 C ATOM 1291 C GLY A 97 0.225 8.506 -5.587 1.00 1.15 C ATOM 1292 O GLY A 97 -0.903 8.100 -5.282 1.00 1.79 O ATOM 0 H GLY A 97 2.725 7.996 -5.422 1.00 0.85 H new ATOM 0 HA2 GLY A 97 0.914 8.289 -7.607 1.00 1.14 H new ATOM 0 HA3 GLY A 97 0.613 6.770 -6.786 1.00 1.14 H new ATOM 1296 N GLY A 98 0.799 9.600 -5.034 1.00 1.39 N ATOM 1297 CA GLY A 98 0.130 10.408 -4.014 1.00 2.09 C ATOM 1298 C GLY A 98 -0.427 11.692 -4.601 1.00 2.41 C ATOM 1299 O GLY A 98 -0.048 12.783 -4.162 1.00 2.85 O ATOM 0 H GLY A 98 1.729 9.936 -5.286 1.00 1.39 H new ATOM 0 HA2 GLY A 98 -0.678 9.832 -3.564 1.00 2.09 H new ATOM 0 HA3 GLY A 98 0.834 10.646 -3.217 1.00 2.09 H new ATOM 1303 N LYS A 99 -1.326 11.557 -5.617 1.00 2.77 N ATOM 1304 CA LYS A 99 -1.964 12.696 -6.320 1.00 3.51 C ATOM 1305 C LYS A 99 -0.942 13.508 -7.155 1.00 3.72 C ATOM 1306 O LYS A 99 0.240 13.584 -6.801 1.00 4.18 O ATOM 1307 CB LYS A 99 -2.727 13.621 -5.329 1.00 4.19 C ATOM 1308 CG LYS A 99 -3.949 14.345 -5.931 1.00 4.80 C ATOM 1309 CD LYS A 99 -4.107 15.787 -5.417 1.00 5.32 C ATOM 1310 CE LYS A 99 -3.158 16.780 -6.104 1.00 6.06 C ATOM 1311 NZ LYS A 99 -3.609 17.145 -7.481 1.00 6.70 N ATOM 0 H LYS A 99 -1.626 10.648 -5.969 1.00 2.77 H new ATOM 0 HA LYS A 99 -2.690 12.271 -7.013 1.00 3.51 H new ATOM 0 HB2 LYS A 99 -3.058 13.025 -4.479 1.00 4.19 H new ATOM 0 HB3 LYS A 99 -2.033 14.368 -4.944 1.00 4.19 H new ATOM 0 HG2 LYS A 99 -3.857 14.360 -7.017 1.00 4.80 H new ATOM 0 HG3 LYS A 99 -4.851 13.780 -5.696 1.00 4.80 H new ATOM 0 HD2 LYS A 99 -5.136 16.111 -5.572 1.00 5.32 H new ATOM 0 HD3 LYS A 99 -3.926 15.805 -4.342 1.00 5.32 H new ATOM 0 HE2 LYS A 99 -3.083 17.683 -5.499 1.00 6.06 H new ATOM 0 HE3 LYS A 99 -2.159 16.347 -6.155 1.00 6.06 H new ATOM 0 HZ1 LYS A 99 -3.107 18.000 -7.795 1.00 6.70 H new ATOM 0 HZ2 LYS A 99 -3.401 16.362 -8.133 1.00 6.70 H new ATOM 0 HZ3 LYS A 99 -4.633 17.327 -7.474 1.00 6.70 H new ATOM 1317 N GLU A 100 -1.415 14.110 -8.267 1.00 3.94 N ATOM 1318 CA GLU A 100 -0.565 14.918 -9.169 1.00 4.63 C ATOM 1319 C GLU A 100 -1.306 16.174 -9.649 1.00 5.04 C ATOM 1320 O GLU A 100 -0.688 17.258 -9.647 1.00 5.51 O ATOM 1321 CB GLU A 100 -0.060 14.067 -10.372 1.00 5.26 C ATOM 1322 CG GLU A 100 -1.141 13.467 -11.294 1.00 5.92 C ATOM 1323 CD GLU A 100 -1.897 12.302 -10.670 1.00 6.62 C ATOM 1324 OE1 GLU A 100 -1.333 11.190 -10.615 1.00 7.01 O ATOM 1325 OE2 GLU A 100 -3.048 12.509 -10.230 1.00 6.97 O ATOM 1326 OXT GLU A 100 -2.498 16.063 -10.010 1.00 5.28 O ATOM 0 H GLU A 100 -2.389 14.051 -8.564 1.00 3.94 H new ATOM 0 HA GLU A 100 0.308 15.245 -8.603 1.00 4.63 H new ATOM 0 HB2 GLU A 100 0.598 14.690 -10.978 1.00 5.26 H new ATOM 0 HB3 GLU A 100 0.546 13.250 -9.981 1.00 5.26 H new ATOM 0 HG2 GLU A 100 -1.852 14.248 -11.563 1.00 5.92 H new ATOM 0 HG3 GLU A 100 -0.672 13.131 -12.219 1.00 5.92 H new TER 1329 GLU A 100 END