USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 603 hydrogens (0 hets) HEADER RIBOSOMAL PROTEIN 13-SEP-96 1FOW TITLE NMR STRUCTURE OF L11-C76, THE C-TERMINAL DOMAIN OF 50S TITLE 2 RIBOSOMAL PROTEIN L11, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: L11-C76; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CARBOXYL-TERMINAL DOMAIN OF PROTEIN L11, COMPND 5 RESIDUES THR 59 TO ASP 133; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: BINDS SPECIFICALLY TO RNA SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 1422; SOURCE 4 CELL_LINE: BL21; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 8 EXPRESSION_SYSTEM_PLASMID: DERIVED FROM PET11A KEYWDS RIBOSOMAL PROTEIN, RNA-BINDING DOMAIN, L11-C76, ALPHA- KEYWDS 2 HELICAL PROTEIN, HOMEODOMAIN FOLD EXPDTA SOLUTION NMR AUTHOR M.A.MARKUS,A.P.HINCK,S.HUANG,D.E.DRAPER,D.A.TORCHIA REVDAT 2 24-FEB-09 1FOW 1 VERSN REVDAT 1 12-MAR-97 1FOW 0 JRNL AUTH M.A.MARKUS,A.P.HINCK,S.HUANG,D.E.DRAPER,D.A.TORCHIA JRNL TITL HIGH RESOLUTION SOLUTION STRUCTURE OF RIBOSOMAL JRNL TITL 2 PROTEIN L11-C76, A HELICAL PROTEIN WITH A FLEXIBLE JRNL TITL 3 LOOP THAT BECOMES STRUCTURED UPON BINDING TO RNA. JRNL REF NAT.STRUCT.BIOL. V. 4 70 1997 JRNL REFN ISSN 1072-8368 JRNL PMID 8989327 JRNL DOI 10.1038/NSB0197-70 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH Y.XING,D.GUHA THAKURTA,D.E.DRAPER REMARK 1 TITL THE RNA BINDING DOMAIN OF RIBOSOMAL PROTEIN L11 IS REMARK 1 TITL 2 STRUCTURALLY SIMILAR TO HOMEODOMAINS REMARK 1 REF NAT.STRUCT.BIOL. V. 4 24 1997 REMARK 1 REFN ISSN 1072-8368 REMARK 1 REFERENCE 2 REMARK 1 AUTH Y.XING,D.E.DRAPER REMARK 1 TITL COOPERATIVE INTERACTIONS OF RNA AND THIOSTREPTON REMARK 1 TITL 2 ANTIBIOTIC WITH TWO DOMAINS OF RIBOSOMAL PROTEIN REMARK 1 TITL 3 L11 REMARK 1 REF BIOCHEMISTRY V. 35 1581 1996 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1FOW COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 6.10 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 15N HSQC, 13C HSQC, HNCACB, REMARK 210 CBCA(CO)NH, HCACO, C(CO)NH, REMARK 210 H(CCO)NH, HCCH-TOCSY, HMBC, REMARK 210 HNHA, HNHB, HCACB-COSY, (13CO) REMARK 210 SED CT HSQC, (15N) SED CT REMARK 210 HSQC, (13C-13C) LRC, (13C-1H) REMARK 210 LRC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AMX, DMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DGSA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NO NOE VIOLATIONS OVER 0.3 A, REMARK 210 NO ANGLE VIOLATIONS OVER 5 DEG REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 THR A 2 -163.43 77.50 REMARK 500 PHE A 3 52.49 -93.49 REMARK 500 ILE A 4 -143.64 -155.69 REMARK 500 THR A 5 -31.10 86.49 REMARK 500 LYS A 6 41.02 -91.83 REMARK 500 THR A 7 150.28 -41.16 REMARK 500 ILE A 20 56.24 -113.24 REMARK 500 GLU A 21 44.95 -85.82 REMARK 500 SER A 22 60.24 61.62 REMARK 500 SER A 24 -31.07 176.81 REMARK 500 PRO A 27 42.61 -80.85 REMARK 500 ASN A 28 -92.25 -42.92 REMARK 500 ASN A 30 -167.33 57.58 REMARK 500 LYS A 31 86.80 70.12 REMARK 500 ALA A 33 83.24 47.56 REMARK 500 LYS A 36 164.16 -45.17 REMARK 500 ASN A 52 35.83 73.73 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 29 0.27 SIDE_CHAIN REMARK 500 ARG A 37 0.31 SIDE_CHAIN REMARK 500 ARG A 41 0.26 SIDE_CHAIN REMARK 500 ARG A 61 0.23 SIDE_CHAIN REMARK 500 ARG A 68 0.30 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1FOX RELATED DB: PDB DBREF 1FOW A 2 76 UNP P56210 RL11_BACST 59 133 SEQRES 1 A 76 MET THR PHE ILE THR LYS THR PRO PRO ALA ALA VAL LEU SEQRES 2 A 76 LEU LYS LYS ALA ALA GLY ILE GLU SER GLY SER GLY GLU SEQRES 3 A 76 PRO ASN ARG ASN LYS VAL ALA THR ILE LYS ARG ASP LYS SEQRES 4 A 76 VAL ARG GLU ILE ALA GLU LEU LYS MET PRO ASP LEU ASN SEQRES 5 A 76 ALA ALA SER ILE GLU ALA ALA MET ARG MET ILE GLU GLY SEQRES 6 A 76 THR ALA ARG SER MET GLY ILE VAL VAL GLU ASP HELIX 1 A1 ALA A 10 ALA A 18 1 9 HELIX 2 A2 ARG A 37 LEU A 46 1 10 HELIX 3 A3 ILE A 56 THR A 66 1CSI RANGE: GLU 57 TO SER 69 11 SHEET 1 B1 2 THR A 34 LYS A 36 0 SHEET 2 B1 2 VAL A 73 GLU A 75 1 O VAL A 73 N ILE A 35 HYDBND N VAL A 40 O LYS A 36 1555 1555 HYDBND N ARG A 41 O ARG A 37 1555 1555 HYDBND N ILE A 43 O LYS A 39 1555 1555 HYDBND N ALA A 44 O VAL A 40 1555 1555 HYDBND N GLU A 45 O ARG A 41 1555 1555 HYDBND N LEU A 46 O GLU A 42 1555 1555 HYDBND N LYS A 47 O ILE A 43 1555 1555 HYDBND N ALA A 59 O SER A 55 1555 1555 HYDBND N MET A 60 O ILE A 56 1555 1555 HYDBND N ILE A 63 O ALA A 59 1555 1555 HYDBND N GLU A 64 O MET A 60 1555 1555 HYDBND N ALA A 67 O ILE A 63 1555 1555 HYDBND N ILE A 35 O VAL A 73 1555 1555 HYDBND N VAL A 73 O ALA A 33 1555 1555 HYDBND N GLU A 75 O ILE A 35 1555 1555 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 Single : A 1 MET CE :methyl 141:sc= -1.3 (180deg=-2.21!) USER MOD Single : A 1 MET N :NH3+ -138:sc= 0 (180deg=-0.0392) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -69:sc= 0.586 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= 0.0106 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 69:sc= 0.917 USER MOD Single : A 28 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.1) USER MOD Single : A 30 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.41) USER MOD Single : A 31 LYS NZ :NH3+ -152:sc= -0.0264 (180deg=-0.315) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0762) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= -0.0114 (180deg=-0.0114) USER MOD Single : A 48 MET CE :methyl 162:sc= -3.07! (180deg=-3.76!) USER MOD Single : A 52 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.7!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -97:sc= -1.05 (180deg=-2.35!) USER MOD Single : A 62 MET CE :methyl -165:sc= -0.363 (180deg=-0.608) USER MOD Single : A 66 THR OG1 : rot 111:sc= 0.92 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 176:sc= -11.3! (180deg=-11.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.118 12.068 -0.740 1.00 13.75 N ATOM 2 CA MET A 1 20.293 10.979 -1.742 1.00 13.22 C ATOM 3 C MET A 1 19.427 11.273 -2.970 1.00 12.49 C ATOM 4 O MET A 1 18.452 10.599 -3.227 1.00 12.52 O ATOM 5 CB MET A 1 19.868 9.645 -1.122 1.00 13.81 C ATOM 6 CG MET A 1 20.727 8.514 -1.692 1.00 14.33 C ATOM 7 SD MET A 1 22.461 8.793 -1.255 1.00 15.29 S ATOM 8 CE MET A 1 23.030 9.295 -2.897 1.00 15.85 C ATOM 0 H1 MET A 1 21.042 12.316 -0.332 1.00 13.75 H new ATOM 0 H2 MET A 1 19.709 12.904 -1.204 1.00 13.75 H new ATOM 0 H3 MET A 1 19.481 11.745 0.016 1.00 13.75 H new ATOM 0 HA MET A 1 21.339 10.923 -2.042 1.00 13.22 H new ATOM 0 HB2 MET A 1 19.976 9.686 -0.038 1.00 13.81 H new ATOM 0 HB3 MET A 1 18.815 9.455 -1.330 1.00 13.81 H new ATOM 0 HG2 MET A 1 20.392 7.555 -1.298 1.00 14.33 H new ATOM 0 HG3 MET A 1 20.617 8.470 -2.776 1.00 14.33 H new ATOM 0 HE1 MET A 1 23.749 10.108 -2.800 1.00 15.85 H new ATOM 0 HE2 MET A 1 23.505 8.448 -3.392 1.00 15.85 H new ATOM 0 HE3 MET A 1 22.179 9.631 -3.490 1.00 15.85 H new ATOM 20 N THR A 2 19.782 12.278 -3.728 1.00 12.02 N ATOM 21 CA THR A 2 18.992 12.630 -4.945 1.00 11.50 C ATOM 22 C THR A 2 17.717 13.383 -4.532 1.00 10.59 C ATOM 23 O THR A 2 17.612 13.885 -3.431 1.00 10.59 O ATOM 24 CB THR A 2 18.662 11.346 -5.737 1.00 11.79 C ATOM 25 OG1 THR A 2 18.798 11.609 -7.126 1.00 12.18 O ATOM 26 CG2 THR A 2 17.233 10.861 -5.459 1.00 12.24 C ATOM 0 H THR A 2 20.591 12.874 -3.554 1.00 12.02 H new ATOM 0 HA THR A 2 19.575 13.285 -5.593 1.00 11.50 H new ATOM 0 HB THR A 2 19.354 10.566 -5.421 1.00 11.79 H new ATOM 0 HG1 THR A 2 18.591 10.797 -7.634 1.00 12.18 H new ATOM 0 HG21 THR A 2 17.038 9.956 -6.034 1.00 12.24 H new ATOM 0 HG22 THR A 2 17.122 10.647 -4.396 1.00 12.24 H new ATOM 0 HG23 THR A 2 16.523 11.635 -5.749 1.00 12.24 H new ATOM 34 N PHE A 3 16.756 13.478 -5.412 1.00 10.00 N ATOM 35 CA PHE A 3 15.500 14.212 -5.074 1.00 9.28 C ATOM 36 C PHE A 3 14.446 13.237 -4.535 1.00 8.22 C ATOM 37 O PHE A 3 13.328 13.199 -5.008 1.00 8.25 O ATOM 38 CB PHE A 3 14.957 14.897 -6.332 1.00 9.86 C ATOM 39 CG PHE A 3 16.104 15.291 -7.232 1.00 10.27 C ATOM 40 CD1 PHE A 3 16.837 16.453 -6.963 1.00 10.56 C ATOM 41 CD2 PHE A 3 16.436 14.493 -8.334 1.00 10.61 C ATOM 42 CE1 PHE A 3 17.902 16.817 -7.796 1.00 11.17 C ATOM 43 CE2 PHE A 3 17.501 14.857 -9.166 1.00 11.21 C ATOM 44 CZ PHE A 3 18.234 16.019 -8.897 1.00 11.48 C ATOM 0 H PHE A 3 16.786 13.079 -6.350 1.00 10.00 H new ATOM 0 HA PHE A 3 15.720 14.958 -4.310 1.00 9.28 H new ATOM 0 HB2 PHE A 3 14.281 14.225 -6.861 1.00 9.86 H new ATOM 0 HB3 PHE A 3 14.378 15.779 -6.057 1.00 9.86 H new ATOM 0 HD1 PHE A 3 16.581 17.068 -6.113 1.00 10.56 H new ATOM 0 HD2 PHE A 3 15.870 13.597 -8.542 1.00 10.61 H new ATOM 0 HE1 PHE A 3 18.467 17.714 -7.589 1.00 11.17 H new ATOM 0 HE2 PHE A 3 17.757 14.241 -10.016 1.00 11.21 H new ATOM 0 HZ PHE A 3 19.056 16.300 -9.539 1.00 11.48 H new ATOM 54 N ILE A 4 14.789 12.453 -3.547 1.00 7.51 N ATOM 55 CA ILE A 4 13.800 11.489 -2.979 1.00 6.61 C ATOM 56 C ILE A 4 14.191 11.154 -1.535 1.00 5.72 C ATOM 57 O ILE A 4 14.657 12.003 -0.806 1.00 5.84 O ATOM 58 CB ILE A 4 13.772 10.213 -3.830 1.00 6.88 C ATOM 59 CG1 ILE A 4 14.019 10.568 -5.297 1.00 7.37 C ATOM 60 CG2 ILE A 4 12.400 9.547 -3.706 1.00 6.72 C ATOM 61 CD1 ILE A 4 14.134 9.285 -6.121 1.00 7.82 C ATOM 0 H ILE A 4 15.710 12.438 -3.109 1.00 7.51 H new ATOM 0 HA ILE A 4 12.806 11.936 -2.987 1.00 6.61 H new ATOM 0 HB ILE A 4 14.548 9.532 -3.480 1.00 6.88 H new ATOM 0 HG12 ILE A 4 13.203 11.184 -5.675 1.00 7.37 H new ATOM 0 HG13 ILE A 4 14.932 11.156 -5.391 1.00 7.37 H new ATOM 0 HG21 ILE A 4 12.380 8.640 -4.311 1.00 6.72 H new ATOM 0 HG22 ILE A 4 12.212 9.292 -2.663 1.00 6.72 H new ATOM 0 HG23 ILE A 4 11.629 10.234 -4.056 1.00 6.72 H new ATOM 0 HD11 ILE A 4 14.310 9.539 -7.166 1.00 7.82 H new ATOM 0 HD12 ILE A 4 14.965 8.686 -5.748 1.00 7.82 H new ATOM 0 HD13 ILE A 4 13.209 8.714 -6.037 1.00 7.82 H new ATOM 73 N THR A 5 13.988 9.928 -1.124 1.00 5.16 N ATOM 74 CA THR A 5 14.326 9.501 0.274 1.00 4.65 C ATOM 75 C THR A 5 13.146 9.800 1.203 1.00 3.55 C ATOM 76 O THR A 5 12.911 9.096 2.165 1.00 3.69 O ATOM 77 CB THR A 5 15.584 10.218 0.790 1.00 5.34 C ATOM 78 OG1 THR A 5 15.230 11.485 1.328 1.00 5.74 O ATOM 79 CG2 THR A 5 16.591 10.396 -0.350 1.00 5.95 C ATOM 0 H THR A 5 13.595 9.189 -1.707 1.00 5.16 H new ATOM 0 HA THR A 5 14.527 8.430 0.262 1.00 4.65 H new ATOM 0 HB THR A 5 16.042 9.614 1.573 1.00 5.34 H new ATOM 0 HG1 THR A 5 14.940 12.078 0.604 1.00 5.74 H new ATOM 0 HG21 THR A 5 17.479 10.905 0.025 1.00 5.95 H new ATOM 0 HG22 THR A 5 16.872 9.419 -0.743 1.00 5.95 H new ATOM 0 HG23 THR A 5 16.140 10.991 -1.144 1.00 5.95 H new ATOM 87 N LYS A 6 12.393 10.827 0.920 1.00 2.93 N ATOM 88 CA LYS A 6 11.223 11.151 1.784 1.00 2.16 C ATOM 89 C LYS A 6 9.985 10.453 1.223 1.00 1.87 C ATOM 90 O LYS A 6 8.909 11.015 1.176 1.00 2.40 O ATOM 91 CB LYS A 6 10.994 12.663 1.797 1.00 2.69 C ATOM 92 CG LYS A 6 12.097 13.339 2.611 1.00 3.20 C ATOM 93 CD LYS A 6 12.691 14.491 1.800 1.00 3.93 C ATOM 94 CE LYS A 6 12.112 15.817 2.298 1.00 4.68 C ATOM 95 NZ LYS A 6 13.210 16.668 2.838 1.00 5.38 N ATOM 0 H LYS A 6 12.537 11.455 0.129 1.00 2.93 H new ATOM 0 HA LYS A 6 11.413 10.810 2.802 1.00 2.16 H new ATOM 0 HB2 LYS A 6 10.991 13.050 0.778 1.00 2.69 H new ATOM 0 HB3 LYS A 6 10.019 12.890 2.227 1.00 2.69 H new ATOM 0 HG2 LYS A 6 11.693 13.712 3.552 1.00 3.20 H new ATOM 0 HG3 LYS A 6 12.874 12.617 2.862 1.00 3.20 H new ATOM 0 HD2 LYS A 6 13.777 14.497 1.897 1.00 3.93 H new ATOM 0 HD3 LYS A 6 12.467 14.358 0.742 1.00 3.93 H new ATOM 0 HE2 LYS A 6 11.605 16.333 1.483 1.00 4.68 H new ATOM 0 HE3 LYS A 6 11.367 15.633 3.072 1.00 4.68 H new ATOM 0 HZ1 LYS A 6 12.816 17.569 3.176 1.00 5.38 H new ATOM 0 HZ2 LYS A 6 13.675 16.175 3.627 1.00 5.38 H new ATOM 0 HZ3 LYS A 6 13.906 16.854 2.088 1.00 5.38 H new ATOM 109 N THR A 7 10.136 9.231 0.788 1.00 1.46 N ATOM 110 CA THR A 7 8.979 8.484 0.217 1.00 1.15 C ATOM 111 C THR A 7 7.723 8.747 1.054 1.00 1.04 C ATOM 112 O THR A 7 7.808 8.983 2.242 1.00 1.08 O ATOM 113 CB THR A 7 9.289 6.985 0.223 1.00 1.06 C ATOM 114 OG1 THR A 7 10.127 6.682 1.329 1.00 1.27 O ATOM 115 CG2 THR A 7 9.997 6.603 -1.077 1.00 1.23 C ATOM 0 H THR A 7 11.016 8.716 0.804 1.00 1.46 H new ATOM 0 HA THR A 7 8.805 8.820 -0.805 1.00 1.15 H new ATOM 0 HB THR A 7 8.360 6.421 0.306 1.00 1.06 H new ATOM 0 HG1 THR A 7 10.196 5.710 1.431 1.00 1.27 H new ATOM 0 HG21 THR A 7 10.217 5.535 -1.071 1.00 1.23 H new ATOM 0 HG22 THR A 7 9.352 6.836 -1.924 1.00 1.23 H new ATOM 0 HG23 THR A 7 10.927 7.165 -1.163 1.00 1.23 H new ATOM 123 N PRO A 8 6.590 8.692 0.398 1.00 0.96 N ATOM 124 CA PRO A 8 5.284 8.914 1.043 1.00 0.87 C ATOM 125 C PRO A 8 4.851 7.659 1.809 1.00 0.77 C ATOM 126 O PRO A 8 5.514 6.642 1.752 1.00 0.77 O ATOM 127 CB PRO A 8 4.345 9.185 -0.137 1.00 0.88 C ATOM 128 CG PRO A 8 5.014 8.554 -1.381 1.00 0.94 C ATOM 129 CD PRO A 8 6.509 8.403 -1.049 1.00 1.00 C ATOM 0 HA PRO A 8 5.293 9.727 1.769 1.00 0.87 H new ATOM 0 HB2 PRO A 8 3.363 8.747 0.040 1.00 0.88 H new ATOM 0 HB3 PRO A 8 4.196 10.256 -0.277 1.00 0.88 H new ATOM 0 HG2 PRO A 8 4.569 7.586 -1.611 1.00 0.94 H new ATOM 0 HG3 PRO A 8 4.874 9.186 -2.258 1.00 0.94 H new ATOM 0 HD2 PRO A 8 6.868 7.399 -1.275 1.00 1.00 H new ATOM 0 HD3 PRO A 8 7.118 9.097 -1.628 1.00 1.00 H new ATOM 137 N PRO A 9 3.746 7.768 2.503 1.00 0.75 N ATOM 138 CA PRO A 9 3.193 6.653 3.292 1.00 0.72 C ATOM 139 C PRO A 9 2.507 5.635 2.375 1.00 0.63 C ATOM 140 O PRO A 9 2.000 5.974 1.324 1.00 0.93 O ATOM 141 CB PRO A 9 2.180 7.335 4.217 1.00 0.80 C ATOM 142 CG PRO A 9 1.803 8.674 3.540 1.00 0.83 C ATOM 143 CD PRO A 9 2.947 9.010 2.565 1.00 0.81 C ATOM 0 HA PRO A 9 3.953 6.097 3.841 1.00 0.72 H new ATOM 0 HB2 PRO A 9 1.299 6.709 4.357 1.00 0.80 H new ATOM 0 HB3 PRO A 9 2.609 7.506 5.204 1.00 0.80 H new ATOM 0 HG2 PRO A 9 0.855 8.587 3.010 1.00 0.83 H new ATOM 0 HG3 PRO A 9 1.682 9.463 4.282 1.00 0.83 H new ATOM 0 HD2 PRO A 9 2.565 9.287 1.583 1.00 0.81 H new ATOM 0 HD3 PRO A 9 3.543 9.849 2.924 1.00 0.81 H new ATOM 151 N ALA A 10 2.490 4.389 2.763 1.00 0.63 N ATOM 152 CA ALA A 10 1.841 3.352 1.912 1.00 0.58 C ATOM 153 C ALA A 10 0.320 3.521 1.964 1.00 0.59 C ATOM 154 O ALA A 10 -0.414 2.823 1.292 1.00 0.72 O ATOM 155 CB ALA A 10 2.219 1.962 2.427 1.00 0.68 C ATOM 0 H ALA A 10 2.897 4.044 3.632 1.00 0.63 H new ATOM 0 HA ALA A 10 2.181 3.464 0.882 1.00 0.58 H new ATOM 0 HB1 ALA A 10 1.745 1.202 1.805 1.00 0.68 H new ATOM 0 HB2 ALA A 10 3.301 1.841 2.386 1.00 0.68 H new ATOM 0 HB3 ALA A 10 1.880 1.851 3.457 1.00 0.68 H new ATOM 161 N ALA A 11 -0.160 4.442 2.755 1.00 0.63 N ATOM 162 CA ALA A 11 -1.633 4.652 2.844 1.00 0.70 C ATOM 163 C ALA A 11 -2.063 5.678 1.795 1.00 0.70 C ATOM 164 O ALA A 11 -3.235 5.840 1.514 1.00 1.06 O ATOM 165 CB ALA A 11 -1.993 5.168 4.238 1.00 0.83 C ATOM 0 H ALA A 11 0.403 5.057 3.342 1.00 0.63 H new ATOM 0 HA ALA A 11 -2.146 3.708 2.664 1.00 0.70 H new ATOM 0 HB1 ALA A 11 -3.070 5.321 4.302 1.00 0.83 H new ATOM 0 HB2 ALA A 11 -1.685 4.438 4.987 1.00 0.83 H new ATOM 0 HB3 ALA A 11 -1.481 6.113 4.420 1.00 0.83 H new ATOM 171 N VAL A 12 -1.126 6.375 1.213 1.00 0.51 N ATOM 172 CA VAL A 12 -1.483 7.389 0.183 1.00 0.54 C ATOM 173 C VAL A 12 -1.182 6.830 -1.209 1.00 0.47 C ATOM 174 O VAL A 12 -1.826 7.175 -2.180 1.00 0.53 O ATOM 175 CB VAL A 12 -0.668 8.663 0.417 1.00 0.61 C ATOM 176 CG1 VAL A 12 0.815 8.381 0.171 1.00 0.64 C ATOM 177 CG2 VAL A 12 -1.142 9.753 -0.544 1.00 0.77 C ATOM 0 H VAL A 12 -0.129 6.286 1.407 1.00 0.51 H new ATOM 0 HA VAL A 12 -2.545 7.624 0.254 1.00 0.54 H new ATOM 0 HB VAL A 12 -0.807 8.995 1.446 1.00 0.61 H new ATOM 0 HG11 VAL A 12 1.391 9.291 0.339 1.00 0.64 H new ATOM 0 HG12 VAL A 12 1.156 7.604 0.855 1.00 0.64 H new ATOM 0 HG13 VAL A 12 0.956 8.047 -0.857 1.00 0.64 H new ATOM 0 HG21 VAL A 12 -0.562 10.661 -0.379 1.00 0.77 H new ATOM 0 HG22 VAL A 12 -1.004 9.417 -1.572 1.00 0.77 H new ATOM 0 HG23 VAL A 12 -2.198 9.959 -0.368 1.00 0.77 H new ATOM 187 N LEU A 13 -0.209 5.966 -1.315 1.00 0.41 N ATOM 188 CA LEU A 13 0.129 5.383 -2.644 1.00 0.40 C ATOM 189 C LEU A 13 -0.685 4.105 -2.858 1.00 0.34 C ATOM 190 O LEU A 13 -1.197 3.857 -3.931 1.00 0.40 O ATOM 191 CB LEU A 13 1.623 5.050 -2.692 1.00 0.44 C ATOM 192 CG LEU A 13 2.401 6.253 -3.226 1.00 0.61 C ATOM 193 CD1 LEU A 13 3.877 5.880 -3.376 1.00 0.82 C ATOM 194 CD2 LEU A 13 1.838 6.660 -4.590 1.00 0.87 C ATOM 0 H LEU A 13 0.366 5.639 -0.539 1.00 0.41 H new ATOM 0 HA LEU A 13 -0.107 6.103 -3.428 1.00 0.40 H new ATOM 0 HB2 LEU A 13 1.979 4.787 -1.696 1.00 0.44 H new ATOM 0 HB3 LEU A 13 1.792 4.183 -3.330 1.00 0.44 H new ATOM 0 HG LEU A 13 2.305 7.086 -2.529 1.00 0.61 H new ATOM 0 HD11 LEU A 13 4.432 6.737 -3.757 1.00 0.82 H new ATOM 0 HD12 LEU A 13 4.279 5.589 -2.406 1.00 0.82 H new ATOM 0 HD13 LEU A 13 3.973 5.047 -4.073 1.00 0.82 H new ATOM 0 HD21 LEU A 13 2.392 7.518 -4.971 1.00 0.87 H new ATOM 0 HD22 LEU A 13 1.934 5.827 -5.287 1.00 0.87 H new ATOM 0 HD23 LEU A 13 0.786 6.925 -4.485 1.00 0.87 H new ATOM 206 N LEU A 14 -0.810 3.294 -1.844 1.00 0.31 N ATOM 207 CA LEU A 14 -1.594 2.036 -1.992 1.00 0.31 C ATOM 208 C LEU A 14 -3.032 2.383 -2.379 1.00 0.32 C ATOM 209 O LEU A 14 -3.522 1.976 -3.414 1.00 0.42 O ATOM 210 CB LEU A 14 -1.587 1.271 -0.667 1.00 0.33 C ATOM 211 CG LEU A 14 -0.158 0.840 -0.336 1.00 0.35 C ATOM 212 CD1 LEU A 14 -0.145 0.085 0.994 1.00 0.35 C ATOM 213 CD2 LEU A 14 0.368 -0.074 -1.445 1.00 0.57 C ATOM 0 H LEU A 14 -0.404 3.448 -0.921 1.00 0.31 H new ATOM 0 HA LEU A 14 -1.148 1.414 -2.768 1.00 0.31 H new ATOM 0 HB2 LEU A 14 -1.983 1.900 0.131 1.00 0.33 H new ATOM 0 HB3 LEU A 14 -2.235 0.397 -0.736 1.00 0.33 H new ATOM 0 HG LEU A 14 0.477 1.722 -0.258 1.00 0.35 H new ATOM 0 HD11 LEU A 14 0.874 -0.222 1.228 1.00 0.35 H new ATOM 0 HD12 LEU A 14 -0.519 0.735 1.785 1.00 0.35 H new ATOM 0 HD13 LEU A 14 -0.781 -0.797 0.918 1.00 0.35 H new ATOM 0 HD21 LEU A 14 1.387 -0.382 -1.210 1.00 0.57 H new ATOM 0 HD22 LEU A 14 -0.269 -0.955 -1.523 1.00 0.57 H new ATOM 0 HD23 LEU A 14 0.361 0.463 -2.393 1.00 0.57 H new ATOM 225 N LYS A 15 -3.710 3.138 -1.559 1.00 0.28 N ATOM 226 CA LYS A 15 -5.113 3.516 -1.884 1.00 0.32 C ATOM 227 C LYS A 15 -5.170 4.056 -3.315 1.00 0.37 C ATOM 228 O LYS A 15 -6.201 4.030 -3.959 1.00 0.48 O ATOM 229 CB LYS A 15 -5.586 4.599 -0.912 1.00 0.34 C ATOM 230 CG LYS A 15 -6.440 3.964 0.186 1.00 0.50 C ATOM 231 CD LYS A 15 -7.442 4.994 0.713 1.00 0.91 C ATOM 232 CE LYS A 15 -6.922 5.589 2.023 1.00 0.95 C ATOM 233 NZ LYS A 15 -7.529 6.934 2.234 1.00 1.60 N ATOM 0 H LYS A 15 -3.353 3.509 -0.679 1.00 0.28 H new ATOM 0 HA LYS A 15 -5.759 2.642 -1.796 1.00 0.32 H new ATOM 0 HB2 LYS A 15 -4.728 5.107 -0.472 1.00 0.34 H new ATOM 0 HB3 LYS A 15 -6.164 5.354 -1.446 1.00 0.34 H new ATOM 0 HG2 LYS A 15 -6.968 3.095 -0.206 1.00 0.50 H new ATOM 0 HG3 LYS A 15 -5.804 3.611 0.998 1.00 0.50 H new ATOM 0 HD2 LYS A 15 -7.589 5.783 -0.024 1.00 0.91 H new ATOM 0 HD3 LYS A 15 -8.412 4.524 0.875 1.00 0.91 H new ATOM 0 HE2 LYS A 15 -7.169 4.932 2.857 1.00 0.95 H new ATOM 0 HE3 LYS A 15 -5.835 5.669 1.992 1.00 0.95 H new ATOM 0 HZ1 LYS A 15 -7.176 7.339 3.125 1.00 1.60 H new ATOM 0 HZ2 LYS A 15 -7.272 7.559 1.444 1.00 1.60 H new ATOM 0 HZ3 LYS A 15 -8.564 6.844 2.281 1.00 1.60 H new ATOM 247 N LYS A 16 -4.069 4.546 -3.817 1.00 0.38 N ATOM 248 CA LYS A 16 -4.057 5.088 -5.205 1.00 0.45 C ATOM 249 C LYS A 16 -4.443 3.981 -6.188 1.00 0.47 C ATOM 250 O LYS A 16 -5.303 4.156 -7.028 1.00 0.55 O ATOM 251 CB LYS A 16 -2.655 5.602 -5.540 1.00 0.50 C ATOM 252 CG LYS A 16 -2.758 7.004 -6.144 1.00 0.85 C ATOM 253 CD LYS A 16 -1.642 7.201 -7.173 1.00 1.45 C ATOM 254 CE LYS A 16 -2.255 7.571 -8.525 1.00 1.61 C ATOM 255 NZ LYS A 16 -1.385 8.569 -9.209 1.00 2.55 N ATOM 0 H LYS A 16 -3.177 4.594 -3.325 1.00 0.38 H new ATOM 0 HA LYS A 16 -4.772 5.907 -5.281 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -2.040 5.626 -4.640 1.00 0.50 H new ATOM 0 HB3 LYS A 16 -2.166 4.927 -6.242 1.00 0.50 H new ATOM 0 HG2 LYS A 16 -3.731 7.137 -6.617 1.00 0.85 H new ATOM 0 HG3 LYS A 16 -2.680 7.756 -5.359 1.00 0.85 H new ATOM 0 HD2 LYS A 16 -0.962 7.987 -6.843 1.00 1.45 H new ATOM 0 HD3 LYS A 16 -1.053 6.288 -7.266 1.00 1.45 H new ATOM 0 HE2 LYS A 16 -2.361 6.680 -9.144 1.00 1.61 H new ATOM 0 HE3 LYS A 16 -3.255 7.981 -8.383 1.00 1.61 H new ATOM 0 HZ1 LYS A 16 -1.802 8.821 -10.128 1.00 2.55 H new ATOM 0 HZ2 LYS A 16 -1.306 9.422 -8.620 1.00 2.55 H new ATOM 0 HZ3 LYS A 16 -0.440 8.162 -9.357 1.00 2.55 H new ATOM 269 N ALA A 17 -3.813 2.843 -6.090 1.00 0.48 N ATOM 270 CA ALA A 17 -4.143 1.726 -7.019 1.00 0.54 C ATOM 271 C ALA A 17 -5.660 1.530 -7.066 1.00 0.55 C ATOM 272 O ALA A 17 -6.300 1.802 -8.062 1.00 0.75 O ATOM 273 CB ALA A 17 -3.479 0.439 -6.526 1.00 0.57 C ATOM 0 H ALA A 17 -3.084 2.638 -5.407 1.00 0.48 H new ATOM 0 HA ALA A 17 -3.777 1.966 -8.017 1.00 0.54 H new ATOM 0 HB1 ALA A 17 -3.720 -0.378 -7.206 1.00 0.57 H new ATOM 0 HB2 ALA A 17 -2.398 0.577 -6.493 1.00 0.57 H new ATOM 0 HB3 ALA A 17 -3.845 0.200 -5.527 1.00 0.57 H new ATOM 279 N ALA A 18 -6.240 1.057 -5.996 1.00 0.48 N ATOM 280 CA ALA A 18 -7.714 0.842 -5.981 1.00 0.54 C ATOM 281 C ALA A 18 -8.413 2.049 -6.613 1.00 0.58 C ATOM 282 O ALA A 18 -9.085 1.932 -7.619 1.00 0.88 O ATOM 283 CB ALA A 18 -8.191 0.673 -4.537 1.00 0.54 C ATOM 0 H ALA A 18 -5.756 0.811 -5.132 1.00 0.48 H new ATOM 0 HA ALA A 18 -7.956 -0.056 -6.550 1.00 0.54 H new ATOM 0 HB1 ALA A 18 -9.270 0.516 -4.526 1.00 0.54 H new ATOM 0 HB2 ALA A 18 -7.694 -0.187 -4.088 1.00 0.54 H new ATOM 0 HB3 ALA A 18 -7.949 1.570 -3.967 1.00 0.54 H new ATOM 289 N GLY A 19 -8.261 3.207 -6.032 1.00 0.60 N ATOM 290 CA GLY A 19 -8.917 4.418 -6.602 1.00 0.71 C ATOM 291 C GLY A 19 -9.702 5.142 -5.507 1.00 0.74 C ATOM 292 O GLY A 19 -10.789 5.637 -5.733 1.00 0.90 O ATOM 0 H GLY A 19 -7.711 3.367 -5.188 1.00 0.60 H new ATOM 0 HA2 GLY A 19 -8.166 5.085 -7.026 1.00 0.71 H new ATOM 0 HA3 GLY A 19 -9.586 4.133 -7.414 1.00 0.71 H new ATOM 296 N ILE A 20 -9.162 5.211 -4.321 1.00 0.75 N ATOM 297 CA ILE A 20 -9.879 5.905 -3.214 1.00 0.83 C ATOM 298 C ILE A 20 -9.106 7.164 -2.816 1.00 1.05 C ATOM 299 O ILE A 20 -8.736 7.342 -1.672 1.00 1.69 O ATOM 300 CB ILE A 20 -9.985 4.970 -2.008 1.00 0.72 C ATOM 301 CG1 ILE A 20 -10.347 3.562 -2.486 1.00 0.73 C ATOM 302 CG2 ILE A 20 -11.072 5.479 -1.059 1.00 0.85 C ATOM 303 CD1 ILE A 20 -9.188 2.609 -2.188 1.00 0.85 C ATOM 0 H ILE A 20 -8.255 4.817 -4.071 1.00 0.75 H new ATOM 0 HA ILE A 20 -10.879 6.182 -3.547 1.00 0.83 H new ATOM 0 HB ILE A 20 -9.029 4.944 -1.485 1.00 0.72 H new ATOM 0 HG12 ILE A 20 -11.252 3.218 -1.986 1.00 0.73 H new ATOM 0 HG13 ILE A 20 -10.558 3.572 -3.555 1.00 0.73 H new ATOM 0 HG21 ILE A 20 -11.147 4.812 -0.200 1.00 0.85 H new ATOM 0 HG22 ILE A 20 -10.817 6.482 -0.718 1.00 0.85 H new ATOM 0 HG23 ILE A 20 -12.028 5.506 -1.582 1.00 0.85 H new ATOM 0 HD11 ILE A 20 -9.445 1.606 -2.528 1.00 0.85 H new ATOM 0 HD12 ILE A 20 -8.293 2.950 -2.708 1.00 0.85 H new ATOM 0 HD13 ILE A 20 -8.999 2.591 -1.115 1.00 0.85 H new ATOM 315 N GLU A 21 -8.858 8.041 -3.751 1.00 1.32 N ATOM 316 CA GLU A 21 -8.110 9.286 -3.423 1.00 1.52 C ATOM 317 C GLU A 21 -9.086 10.348 -2.914 1.00 1.93 C ATOM 318 O GLU A 21 -9.030 11.496 -3.306 1.00 2.59 O ATOM 319 CB GLU A 21 -7.404 9.804 -4.679 1.00 1.94 C ATOM 320 CG GLU A 21 -6.760 8.633 -5.423 1.00 2.09 C ATOM 321 CD GLU A 21 -6.258 9.109 -6.787 1.00 2.78 C ATOM 322 OE1 GLU A 21 -5.698 10.190 -6.846 1.00 3.23 O ATOM 323 OE2 GLU A 21 -6.444 8.383 -7.750 1.00 3.31 O ATOM 0 H GLU A 21 -9.141 7.948 -4.727 1.00 1.32 H new ATOM 0 HA GLU A 21 -7.370 9.072 -2.652 1.00 1.52 H new ATOM 0 HB2 GLU A 21 -8.118 10.312 -5.327 1.00 1.94 H new ATOM 0 HB3 GLU A 21 -6.645 10.537 -4.406 1.00 1.94 H new ATOM 0 HG2 GLU A 21 -5.932 8.229 -4.840 1.00 2.09 H new ATOM 0 HG3 GLU A 21 -7.483 7.828 -5.551 1.00 2.09 H new ATOM 330 N SER A 22 -9.983 9.973 -2.043 1.00 2.26 N ATOM 331 CA SER A 22 -10.963 10.961 -1.511 1.00 2.90 C ATOM 332 C SER A 22 -11.813 11.505 -2.661 1.00 3.37 C ATOM 333 O SER A 22 -11.823 12.689 -2.933 1.00 3.82 O ATOM 334 CB SER A 22 -10.212 12.113 -0.842 1.00 3.59 C ATOM 335 OG SER A 22 -11.108 12.837 -0.010 1.00 3.94 O ATOM 0 H SER A 22 -10.079 9.026 -1.677 1.00 2.26 H new ATOM 0 HA SER A 22 -11.609 10.476 -0.780 1.00 2.90 H new ATOM 0 HB2 SER A 22 -9.381 11.727 -0.252 1.00 3.59 H new ATOM 0 HB3 SER A 22 -9.786 12.773 -1.598 1.00 3.59 H new ATOM 0 HG SER A 22 -10.629 13.575 0.422 1.00 3.94 H new ATOM 341 N GLY A 23 -12.526 10.647 -3.340 1.00 3.86 N ATOM 342 CA GLY A 23 -13.374 11.113 -4.474 1.00 4.80 C ATOM 343 C GLY A 23 -14.114 12.389 -4.070 1.00 5.43 C ATOM 344 O GLY A 23 -13.953 13.429 -4.677 1.00 5.78 O ATOM 0 H GLY A 23 -12.558 9.644 -3.158 1.00 3.86 H new ATOM 0 HA2 GLY A 23 -12.755 11.302 -5.351 1.00 4.80 H new ATOM 0 HA3 GLY A 23 -14.089 10.338 -4.750 1.00 4.80 H new ATOM 348 N SER A 24 -14.924 12.320 -3.050 1.00 5.95 N ATOM 349 CA SER A 24 -15.672 13.531 -2.609 1.00 6.84 C ATOM 350 C SER A 24 -16.604 13.164 -1.453 1.00 7.31 C ATOM 351 O SER A 24 -16.880 13.969 -0.586 1.00 7.73 O ATOM 352 CB SER A 24 -16.496 14.075 -3.777 1.00 7.46 C ATOM 353 OG SER A 24 -15.699 14.976 -4.534 1.00 7.72 O ATOM 0 H SER A 24 -15.100 11.478 -2.503 1.00 5.95 H new ATOM 0 HA SER A 24 -14.966 14.292 -2.277 1.00 6.84 H new ATOM 0 HB2 SER A 24 -16.838 13.255 -4.409 1.00 7.46 H new ATOM 0 HB3 SER A 24 -17.385 14.583 -3.404 1.00 7.46 H new ATOM 0 HG SER A 24 -14.995 14.478 -5.000 1.00 7.72 H new ATOM 359 N GLY A 25 -17.092 11.954 -1.433 1.00 7.51 N ATOM 360 CA GLY A 25 -18.006 11.538 -0.333 1.00 8.19 C ATOM 361 C GLY A 25 -19.171 10.735 -0.912 1.00 8.15 C ATOM 362 O GLY A 25 -20.293 11.199 -0.962 1.00 8.46 O ATOM 0 H GLY A 25 -16.897 11.236 -2.131 1.00 7.51 H new ATOM 0 HA2 GLY A 25 -17.464 10.937 0.397 1.00 8.19 H new ATOM 0 HA3 GLY A 25 -18.382 12.416 0.193 1.00 8.19 H new ATOM 366 N GLU A 26 -18.914 9.533 -1.352 1.00 8.01 N ATOM 367 CA GLU A 26 -20.008 8.703 -1.928 1.00 8.15 C ATOM 368 C GLU A 26 -19.973 7.300 -1.313 1.00 7.83 C ATOM 369 O GLU A 26 -19.726 6.331 -2.004 1.00 7.98 O ATOM 370 CB GLU A 26 -19.823 8.597 -3.444 1.00 8.62 C ATOM 371 CG GLU A 26 -20.186 9.931 -4.099 1.00 9.30 C ATOM 372 CD GLU A 26 -21.142 9.682 -5.267 1.00 9.79 C ATOM 373 OE1 GLU A 26 -20.888 8.766 -6.030 1.00 10.01 O ATOM 374 OE2 GLU A 26 -22.113 10.413 -5.378 1.00 10.13 O ATOM 0 H GLU A 26 -17.995 9.091 -1.337 1.00 8.01 H new ATOM 0 HA GLU A 26 -20.968 9.170 -1.707 1.00 8.15 H new ATOM 0 HB2 GLU A 26 -18.791 8.335 -3.677 1.00 8.62 H new ATOM 0 HB3 GLU A 26 -20.452 7.801 -3.843 1.00 8.62 H new ATOM 0 HG2 GLU A 26 -20.652 10.592 -3.368 1.00 9.30 H new ATOM 0 HG3 GLU A 26 -19.285 10.432 -4.453 1.00 9.30 H new ATOM 381 N PRO A 27 -20.225 7.235 -0.029 1.00 7.68 N ATOM 382 CA PRO A 27 -20.238 5.964 0.718 1.00 7.66 C ATOM 383 C PRO A 27 -21.575 5.238 0.519 1.00 7.59 C ATOM 384 O PRO A 27 -22.146 4.710 1.453 1.00 7.96 O ATOM 385 CB PRO A 27 -20.082 6.406 2.175 1.00 7.89 C ATOM 386 CG PRO A 27 -20.565 7.875 2.239 1.00 8.00 C ATOM 387 CD PRO A 27 -20.511 8.423 0.800 1.00 7.87 C ATOM 0 HA PRO A 27 -19.461 5.271 0.395 1.00 7.66 H new ATOM 0 HB2 PRO A 27 -20.672 5.774 2.838 1.00 7.89 H new ATOM 0 HB3 PRO A 27 -19.044 6.324 2.497 1.00 7.89 H new ATOM 0 HG2 PRO A 27 -21.578 7.932 2.637 1.00 8.00 H new ATOM 0 HG3 PRO A 27 -19.929 8.463 2.901 1.00 8.00 H new ATOM 0 HD2 PRO A 27 -21.454 8.889 0.516 1.00 7.87 H new ATOM 0 HD3 PRO A 27 -19.735 9.181 0.691 1.00 7.87 H new ATOM 395 N ASN A 28 -22.080 5.213 -0.685 1.00 7.36 N ATOM 396 CA ASN A 28 -23.379 4.528 -0.937 1.00 7.49 C ATOM 397 C ASN A 28 -23.414 3.195 -0.186 1.00 7.09 C ATOM 398 O ASN A 28 -23.805 3.130 0.963 1.00 7.44 O ATOM 399 CB ASN A 28 -23.537 4.273 -2.437 1.00 8.01 C ATOM 400 CG ASN A 28 -24.128 5.514 -3.108 1.00 8.33 C ATOM 401 OD1 ASN A 28 -23.620 5.978 -4.109 1.00 8.34 O ATOM 402 ND2 ASN A 28 -25.190 6.073 -2.596 1.00 8.89 N ATOM 0 H ASN A 28 -21.648 5.638 -1.505 1.00 7.36 H new ATOM 0 HA ASN A 28 -24.195 5.160 -0.586 1.00 7.49 H new ATOM 0 HB2 ASN A 28 -22.570 4.033 -2.879 1.00 8.01 H new ATOM 0 HB3 ASN A 28 -24.186 3.413 -2.604 1.00 8.01 H new ATOM 0 HD21 ASN A 28 -25.594 6.900 -3.036 1.00 8.89 H new ATOM 0 HD22 ASN A 28 -25.616 5.683 -1.755 1.00 8.89 H new ATOM 409 N ARG A 29 -23.012 2.131 -0.824 1.00 6.63 N ATOM 410 CA ARG A 29 -23.027 0.806 -0.145 1.00 6.50 C ATOM 411 C ARG A 29 -21.990 -0.113 -0.794 1.00 5.83 C ATOM 412 O ARG A 29 -21.615 0.068 -1.935 1.00 5.94 O ATOM 413 CB ARG A 29 -24.417 0.181 -0.280 1.00 7.08 C ATOM 414 CG ARG A 29 -25.222 0.442 0.995 1.00 7.72 C ATOM 415 CD ARG A 29 -26.715 0.470 0.661 1.00 8.39 C ATOM 416 NE ARG A 29 -27.006 -0.532 -0.404 1.00 9.03 N ATOM 417 CZ ARG A 29 -27.186 -0.141 -1.636 1.00 9.70 C ATOM 418 NH1 ARG A 29 -28.153 0.687 -1.924 1.00 10.00 N ATOM 419 NH2 ARG A 29 -26.398 -0.577 -2.581 1.00 10.27 N ATOM 0 H ARG A 29 -22.674 2.122 -1.786 1.00 6.63 H new ATOM 0 HA ARG A 29 -22.787 0.936 0.910 1.00 6.50 H new ATOM 0 HB2 ARG A 29 -24.934 0.603 -1.142 1.00 7.08 H new ATOM 0 HB3 ARG A 29 -24.329 -0.891 -0.454 1.00 7.08 H new ATOM 0 HG2 ARG A 29 -25.018 -0.335 1.732 1.00 7.72 H new ATOM 0 HG3 ARG A 29 -24.921 1.390 1.440 1.00 7.72 H new ATOM 0 HD2 ARG A 29 -27.302 0.249 1.553 1.00 8.39 H new ATOM 0 HD3 ARG A 29 -27.005 1.466 0.327 1.00 8.39 H new ATOM 0 HE ARG A 29 -27.064 -1.523 -0.170 1.00 9.03 H new ATOM 0 HH11 ARG A 29 -28.768 1.029 -1.186 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -28.293 0.992 -2.887 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -25.642 -1.223 -2.356 1.00 10.27 H new ATOM 0 HH22 ARG A 29 -26.539 -0.271 -3.544 1.00 10.27 H new ATOM 433 N ASN A 30 -21.524 -1.098 -0.075 1.00 5.45 N ATOM 434 CA ASN A 30 -20.512 -2.027 -0.652 1.00 5.04 C ATOM 435 C ASN A 30 -19.289 -1.229 -1.106 1.00 4.21 C ATOM 436 O ASN A 30 -19.136 -0.070 -0.776 1.00 4.19 O ATOM 437 CB ASN A 30 -21.116 -2.761 -1.852 1.00 5.49 C ATOM 438 CG ASN A 30 -22.563 -3.148 -1.539 1.00 6.07 C ATOM 439 OD1 ASN A 30 -22.808 -4.082 -0.800 1.00 6.24 O ATOM 440 ND2 ASN A 30 -23.539 -2.466 -2.074 1.00 6.72 N ATOM 0 H ASN A 30 -21.800 -1.299 0.886 1.00 5.45 H new ATOM 0 HA ASN A 30 -20.213 -2.753 0.104 1.00 5.04 H new ATOM 0 HB2 ASN A 30 -21.082 -2.124 -2.736 1.00 5.49 H new ATOM 0 HB3 ASN A 30 -20.531 -3.652 -2.079 1.00 5.49 H new ATOM 0 HD21 ASN A 30 -24.507 -2.717 -1.872 1.00 6.72 H new ATOM 0 HD22 ASN A 30 -23.334 -1.682 -2.694 1.00 6.72 H new ATOM 447 N LYS A 31 -18.416 -1.839 -1.860 1.00 3.96 N ATOM 448 CA LYS A 31 -17.205 -1.112 -2.333 1.00 3.58 C ATOM 449 C LYS A 31 -16.265 -0.863 -1.152 1.00 2.77 C ATOM 450 O LYS A 31 -16.310 0.172 -0.518 1.00 3.18 O ATOM 451 CB LYS A 31 -17.622 0.228 -2.943 1.00 4.42 C ATOM 452 CG LYS A 31 -18.830 0.020 -3.859 1.00 5.12 C ATOM 453 CD LYS A 31 -18.440 0.346 -5.301 1.00 6.01 C ATOM 454 CE LYS A 31 -18.761 -0.849 -6.200 1.00 6.88 C ATOM 455 NZ LYS A 31 -17.889 -1.999 -5.827 1.00 7.67 N ATOM 0 H LYS A 31 -18.489 -2.808 -2.169 1.00 3.96 H new ATOM 0 HA LYS A 31 -16.692 -1.711 -3.085 1.00 3.58 H new ATOM 0 HB2 LYS A 31 -17.869 0.937 -2.153 1.00 4.42 H new ATOM 0 HB3 LYS A 31 -16.794 0.656 -3.508 1.00 4.42 H new ATOM 0 HG2 LYS A 31 -19.179 -1.010 -3.790 1.00 5.12 H new ATOM 0 HG3 LYS A 31 -19.655 0.658 -3.541 1.00 5.12 H new ATOM 0 HD2 LYS A 31 -18.980 1.228 -5.644 1.00 6.01 H new ATOM 0 HD3 LYS A 31 -17.377 0.581 -5.357 1.00 6.01 H new ATOM 0 HE2 LYS A 31 -19.810 -1.125 -6.095 1.00 6.88 H new ATOM 0 HE3 LYS A 31 -18.604 -0.584 -7.246 1.00 6.88 H new ATOM 0 HZ1 LYS A 31 -17.741 -2.606 -6.658 1.00 7.67 H new ATOM 0 HZ2 LYS A 31 -16.972 -1.644 -5.489 1.00 7.67 H new ATOM 0 HZ3 LYS A 31 -18.346 -2.551 -5.073 1.00 7.67 H new ATOM 469 N VAL A 32 -15.411 -1.804 -0.853 1.00 2.10 N ATOM 470 CA VAL A 32 -14.469 -1.619 0.285 1.00 1.46 C ATOM 471 C VAL A 32 -13.050 -1.432 -0.256 1.00 1.17 C ATOM 472 O VAL A 32 -12.085 -1.874 0.335 1.00 1.84 O ATOM 473 CB VAL A 32 -14.513 -2.851 1.191 1.00 1.62 C ATOM 474 CG1 VAL A 32 -14.088 -4.086 0.396 1.00 2.05 C ATOM 475 CG2 VAL A 32 -13.559 -2.651 2.370 1.00 1.95 C ATOM 0 H VAL A 32 -15.326 -2.692 -1.348 1.00 2.10 H new ATOM 0 HA VAL A 32 -14.759 -0.739 0.858 1.00 1.46 H new ATOM 0 HB VAL A 32 -15.528 -2.991 1.563 1.00 1.62 H new ATOM 0 HG11 VAL A 32 -14.120 -4.963 1.042 1.00 2.05 H new ATOM 0 HG12 VAL A 32 -14.767 -4.229 -0.444 1.00 2.05 H new ATOM 0 HG13 VAL A 32 -13.073 -3.947 0.022 1.00 2.05 H new ATOM 0 HG21 VAL A 32 -13.590 -3.528 3.016 1.00 1.95 H new ATOM 0 HG22 VAL A 32 -12.544 -2.510 1.997 1.00 1.95 H new ATOM 0 HG23 VAL A 32 -13.862 -1.771 2.938 1.00 1.95 H new ATOM 485 N ALA A 33 -12.917 -0.778 -1.378 1.00 0.78 N ATOM 486 CA ALA A 33 -11.563 -0.559 -1.959 1.00 0.54 C ATOM 487 C ALA A 33 -10.784 -1.876 -1.954 1.00 0.46 C ATOM 488 O ALA A 33 -9.998 -2.139 -1.066 1.00 0.49 O ATOM 489 CB ALA A 33 -10.811 0.479 -1.124 1.00 0.68 C ATOM 0 H ALA A 33 -13.689 -0.386 -1.917 1.00 0.78 H new ATOM 0 HA ALA A 33 -11.663 -0.200 -2.983 1.00 0.54 H new ATOM 0 HB1 ALA A 33 -9.820 0.639 -1.549 1.00 0.68 H new ATOM 0 HB2 ALA A 33 -11.364 1.418 -1.128 1.00 0.68 H new ATOM 0 HB3 ALA A 33 -10.713 0.120 -0.100 1.00 0.68 H new ATOM 495 N THR A 34 -10.992 -2.705 -2.941 1.00 0.49 N ATOM 496 CA THR A 34 -10.259 -4.001 -2.990 1.00 0.42 C ATOM 497 C THR A 34 -8.979 -3.831 -3.808 1.00 0.40 C ATOM 498 O THR A 34 -9.003 -3.347 -4.922 1.00 0.56 O ATOM 499 CB THR A 34 -11.141 -5.066 -3.644 1.00 0.47 C ATOM 500 OG1 THR A 34 -12.136 -4.433 -4.436 1.00 0.54 O ATOM 501 CG2 THR A 34 -11.809 -5.913 -2.561 1.00 0.49 C ATOM 0 H THR A 34 -11.637 -2.541 -3.714 1.00 0.49 H new ATOM 0 HA THR A 34 -10.007 -4.312 -1.976 1.00 0.42 H new ATOM 0 HB THR A 34 -10.528 -5.708 -4.276 1.00 0.47 H new ATOM 0 HG1 THR A 34 -12.701 -5.114 -4.857 1.00 0.54 H new ATOM 0 HG21 THR A 34 -12.437 -6.671 -3.028 1.00 0.49 H new ATOM 0 HG22 THR A 34 -11.044 -6.398 -1.955 1.00 0.49 H new ATOM 0 HG23 THR A 34 -12.423 -5.274 -1.926 1.00 0.49 H new ATOM 509 N ILE A 35 -7.859 -4.224 -3.266 1.00 0.31 N ATOM 510 CA ILE A 35 -6.581 -4.081 -4.019 1.00 0.30 C ATOM 511 C ILE A 35 -5.970 -5.462 -4.259 1.00 0.27 C ATOM 512 O ILE A 35 -5.458 -6.091 -3.355 1.00 0.36 O ATOM 513 CB ILE A 35 -5.603 -3.227 -3.212 1.00 0.33 C ATOM 514 CG1 ILE A 35 -6.103 -1.781 -3.175 1.00 0.39 C ATOM 515 CG2 ILE A 35 -4.224 -3.269 -3.870 1.00 0.40 C ATOM 516 CD1 ILE A 35 -5.006 -0.876 -2.613 1.00 0.82 C ATOM 0 H ILE A 35 -7.774 -4.637 -2.337 1.00 0.31 H new ATOM 0 HA ILE A 35 -6.780 -3.600 -4.977 1.00 0.30 H new ATOM 0 HB ILE A 35 -5.533 -3.617 -2.197 1.00 0.33 H new ATOM 0 HG12 ILE A 35 -6.380 -1.455 -4.178 1.00 0.39 H new ATOM 0 HG13 ILE A 35 -6.999 -1.710 -2.558 1.00 0.39 H new ATOM 0 HG21 ILE A 35 -3.527 -2.660 -3.294 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -3.867 -4.298 -3.900 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -4.293 -2.879 -4.885 1.00 0.40 H new ATOM 0 HD11 ILE A 35 -5.362 0.154 -2.587 1.00 0.82 H new ATOM 0 HD12 ILE A 35 -4.751 -1.198 -1.603 1.00 0.82 H new ATOM 0 HD13 ILE A 35 -4.122 -0.938 -3.248 1.00 0.82 H new ATOM 528 N LYS A 36 -6.017 -5.940 -5.472 1.00 0.30 N ATOM 529 CA LYS A 36 -5.436 -7.279 -5.766 1.00 0.32 C ATOM 530 C LYS A 36 -4.066 -7.393 -5.097 1.00 0.33 C ATOM 531 O LYS A 36 -3.476 -6.410 -4.695 1.00 0.37 O ATOM 532 CB LYS A 36 -5.279 -7.448 -7.279 1.00 0.41 C ATOM 533 CG LYS A 36 -6.622 -7.855 -7.890 1.00 0.63 C ATOM 534 CD LYS A 36 -6.469 -8.000 -9.406 1.00 1.32 C ATOM 535 CE LYS A 36 -7.589 -8.889 -9.949 1.00 1.75 C ATOM 536 NZ LYS A 36 -8.901 -8.213 -9.746 1.00 2.45 N ATOM 0 H LYS A 36 -6.432 -5.461 -6.271 1.00 0.30 H new ATOM 0 HA LYS A 36 -6.097 -8.055 -5.382 1.00 0.32 H new ATOM 0 HB2 LYS A 36 -4.932 -6.516 -7.725 1.00 0.41 H new ATOM 0 HB3 LYS A 36 -4.525 -8.205 -7.495 1.00 0.41 H new ATOM 0 HG2 LYS A 36 -6.961 -8.796 -7.456 1.00 0.63 H new ATOM 0 HG3 LYS A 36 -7.380 -7.106 -7.660 1.00 0.63 H new ATOM 0 HD2 LYS A 36 -6.506 -7.020 -9.881 1.00 1.32 H new ATOM 0 HD3 LYS A 36 -5.498 -8.434 -9.644 1.00 1.32 H new ATOM 0 HE2 LYS A 36 -7.430 -9.087 -11.009 1.00 1.75 H new ATOM 0 HE3 LYS A 36 -7.582 -9.853 -9.440 1.00 1.75 H new ATOM 0 HZ1 LYS A 36 -9.644 -8.740 -10.247 1.00 2.45 H new ATOM 0 HZ2 LYS A 36 -9.123 -8.183 -8.730 1.00 2.45 H new ATOM 0 HZ3 LYS A 36 -8.853 -7.243 -10.119 1.00 2.45 H new ATOM 550 N ARG A 37 -3.552 -8.586 -4.977 1.00 0.33 N ATOM 551 CA ARG A 37 -2.220 -8.763 -4.340 1.00 0.37 C ATOM 552 C ARG A 37 -1.133 -8.541 -5.390 1.00 0.41 C ATOM 553 O ARG A 37 -0.082 -7.999 -5.109 1.00 0.46 O ATOM 554 CB ARG A 37 -2.109 -10.183 -3.784 1.00 0.41 C ATOM 555 CG ARG A 37 -1.336 -10.161 -2.465 1.00 0.47 C ATOM 556 CD ARG A 37 -2.004 -9.186 -1.495 1.00 0.50 C ATOM 557 NE ARG A 37 -1.668 -9.568 -0.093 1.00 1.04 N ATOM 558 CZ ARG A 37 -1.630 -10.827 0.252 1.00 1.08 C ATOM 559 NH1 ARG A 37 -2.737 -11.464 0.523 1.00 1.74 N ATOM 560 NH2 ARG A 37 -0.486 -11.450 0.325 1.00 1.74 N ATOM 0 H ARG A 37 -3.999 -9.446 -5.294 1.00 0.33 H new ATOM 0 HA ARG A 37 -2.100 -8.046 -3.528 1.00 0.37 H new ATOM 0 HB2 ARG A 37 -3.103 -10.601 -3.627 1.00 0.41 H new ATOM 0 HB3 ARG A 37 -1.602 -10.827 -4.503 1.00 0.41 H new ATOM 0 HG2 ARG A 37 -1.309 -11.160 -2.031 1.00 0.47 H new ATOM 0 HG3 ARG A 37 -0.303 -9.863 -2.642 1.00 0.47 H new ATOM 0 HD2 ARG A 37 -1.668 -8.169 -1.696 1.00 0.50 H new ATOM 0 HD3 ARG A 37 -3.085 -9.198 -1.637 1.00 0.50 H new ATOM 0 HE ARG A 37 -1.468 -8.845 0.598 1.00 1.04 H new ATOM 0 HH11 ARG A 37 -3.632 -10.978 0.465 1.00 1.74 H new ATOM 0 HH12 ARG A 37 -2.707 -12.447 0.792 1.00 1.74 H new ATOM 0 HH21 ARG A 37 0.379 -10.954 0.113 1.00 1.74 H new ATOM 0 HH22 ARG A 37 -0.457 -12.433 0.595 1.00 1.74 H new ATOM 574 N ASP A 38 -1.381 -8.957 -6.601 1.00 0.44 N ATOM 575 CA ASP A 38 -0.368 -8.772 -7.674 1.00 0.51 C ATOM 576 C ASP A 38 -0.155 -7.276 -7.919 1.00 0.49 C ATOM 577 O ASP A 38 0.778 -6.873 -8.584 1.00 0.65 O ATOM 578 CB ASP A 38 -0.859 -9.435 -8.962 1.00 0.59 C ATOM 579 CG ASP A 38 -0.394 -10.892 -8.997 1.00 1.37 C ATOM 580 OD1 ASP A 38 0.771 -11.115 -9.279 1.00 2.02 O ATOM 581 OD2 ASP A 38 -1.212 -11.761 -8.741 1.00 2.19 O ATOM 0 H ASP A 38 -2.243 -9.418 -6.893 1.00 0.44 H new ATOM 0 HA ASP A 38 0.573 -9.229 -7.368 1.00 0.51 H new ATOM 0 HB2 ASP A 38 -1.947 -9.388 -9.016 1.00 0.59 H new ATOM 0 HB3 ASP A 38 -0.474 -8.899 -9.829 1.00 0.59 H new ATOM 586 N LYS A 39 -1.014 -6.450 -7.386 1.00 0.36 N ATOM 587 CA LYS A 39 -0.861 -4.982 -7.588 1.00 0.37 C ATOM 588 C LYS A 39 -0.338 -4.341 -6.301 1.00 0.34 C ATOM 589 O LYS A 39 0.664 -3.654 -6.302 1.00 0.37 O ATOM 590 CB LYS A 39 -2.218 -4.371 -7.947 1.00 0.41 C ATOM 591 CG LYS A 39 -2.014 -2.957 -8.493 1.00 0.71 C ATOM 592 CD LYS A 39 -2.297 -2.944 -9.997 1.00 1.19 C ATOM 593 CE LYS A 39 -3.408 -1.937 -10.300 1.00 1.49 C ATOM 594 NZ LYS A 39 -3.344 -1.543 -11.737 1.00 2.42 N ATOM 0 H LYS A 39 -1.815 -6.729 -6.819 1.00 0.36 H new ATOM 0 HA LYS A 39 -0.155 -4.799 -8.398 1.00 0.37 H new ATOM 0 HB2 LYS A 39 -2.722 -4.990 -8.690 1.00 0.41 H new ATOM 0 HB3 LYS A 39 -2.860 -4.343 -7.067 1.00 0.41 H new ATOM 0 HG2 LYS A 39 -2.677 -2.259 -7.982 1.00 0.71 H new ATOM 0 HG3 LYS A 39 -0.993 -2.626 -8.301 1.00 0.71 H new ATOM 0 HD2 LYS A 39 -1.393 -2.680 -10.545 1.00 1.19 H new ATOM 0 HD3 LYS A 39 -2.593 -3.939 -10.331 1.00 1.19 H new ATOM 0 HE2 LYS A 39 -4.381 -2.374 -10.075 1.00 1.49 H new ATOM 0 HE3 LYS A 39 -3.299 -1.057 -9.666 1.00 1.49 H new ATOM 0 HZ1 LYS A 39 -4.099 -0.858 -11.943 1.00 2.42 H new ATOM 0 HZ2 LYS A 39 -2.420 -1.110 -11.937 1.00 2.42 H new ATOM 0 HZ3 LYS A 39 -3.468 -2.386 -12.334 1.00 2.42 H new ATOM 608 N VAL A 40 -1.008 -4.559 -5.202 1.00 0.33 N ATOM 609 CA VAL A 40 -0.546 -3.960 -3.919 1.00 0.34 C ATOM 610 C VAL A 40 0.947 -4.258 -3.730 1.00 0.31 C ATOM 611 O VAL A 40 1.735 -3.379 -3.438 1.00 0.32 O ATOM 612 CB VAL A 40 -1.372 -4.546 -2.758 1.00 0.38 C ATOM 613 CG1 VAL A 40 -0.690 -5.790 -2.174 1.00 0.38 C ATOM 614 CG2 VAL A 40 -1.522 -3.490 -1.661 1.00 0.44 C ATOM 0 H VAL A 40 -1.854 -5.125 -5.138 1.00 0.33 H new ATOM 0 HA VAL A 40 -0.686 -2.879 -3.936 1.00 0.34 H new ATOM 0 HB VAL A 40 -2.351 -4.834 -3.140 1.00 0.38 H new ATOM 0 HG11 VAL A 40 -1.292 -6.185 -1.356 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -0.590 -6.549 -2.950 1.00 0.38 H new ATOM 0 HG13 VAL A 40 0.298 -5.521 -1.800 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.106 -3.901 -0.838 1.00 0.44 H new ATOM 0 HG22 VAL A 40 -0.536 -3.200 -1.297 1.00 0.44 H new ATOM 0 HG23 VAL A 40 -2.031 -2.615 -2.065 1.00 0.44 H new ATOM 624 N ARG A 41 1.338 -5.492 -3.900 1.00 0.33 N ATOM 625 CA ARG A 41 2.775 -5.848 -3.734 1.00 0.36 C ATOM 626 C ARG A 41 3.613 -5.044 -4.729 1.00 0.34 C ATOM 627 O ARG A 41 4.639 -4.493 -4.386 1.00 0.40 O ATOM 628 CB ARG A 41 2.963 -7.344 -3.998 1.00 0.44 C ATOM 629 CG ARG A 41 4.453 -7.688 -3.951 1.00 0.54 C ATOM 630 CD ARG A 41 4.885 -8.278 -5.296 1.00 0.96 C ATOM 631 NE ARG A 41 4.281 -9.630 -5.463 1.00 1.08 N ATOM 632 CZ ARG A 41 4.761 -10.452 -6.356 1.00 1.45 C ATOM 633 NH1 ARG A 41 6.022 -10.789 -6.322 1.00 2.22 N ATOM 634 NH2 ARG A 41 3.981 -10.938 -7.282 1.00 1.97 N ATOM 0 H ARG A 41 0.724 -6.268 -4.147 1.00 0.33 H new ATOM 0 HA ARG A 41 3.094 -5.617 -2.718 1.00 0.36 H new ATOM 0 HB2 ARG A 41 2.421 -7.926 -3.253 1.00 0.44 H new ATOM 0 HB3 ARG A 41 2.549 -7.607 -4.971 1.00 0.44 H new ATOM 0 HG2 ARG A 41 5.036 -6.794 -3.730 1.00 0.54 H new ATOM 0 HG3 ARG A 41 4.647 -8.401 -3.150 1.00 0.54 H new ATOM 0 HD2 ARG A 41 4.570 -7.624 -6.110 1.00 0.96 H new ATOM 0 HD3 ARG A 41 5.972 -8.345 -5.343 1.00 0.96 H new ATOM 0 HE ARG A 41 3.493 -9.913 -4.880 1.00 1.08 H new ATOM 0 HH11 ARG A 41 6.632 -10.410 -5.598 1.00 2.22 H new ATOM 0 HH12 ARG A 41 6.397 -11.431 -7.020 1.00 2.22 H new ATOM 0 HH21 ARG A 41 2.996 -10.676 -7.308 1.00 1.97 H new ATOM 0 HH22 ARG A 41 4.357 -11.580 -7.980 1.00 1.97 H new ATOM 648 N GLU A 42 3.182 -4.969 -5.959 1.00 0.37 N ATOM 649 CA GLU A 42 3.956 -4.197 -6.971 1.00 0.42 C ATOM 650 C GLU A 42 4.361 -2.848 -6.375 1.00 0.36 C ATOM 651 O GLU A 42 5.514 -2.464 -6.409 1.00 0.36 O ATOM 652 CB GLU A 42 3.090 -3.967 -8.212 1.00 0.51 C ATOM 653 CG GLU A 42 3.944 -4.140 -9.469 1.00 0.98 C ATOM 654 CD GLU A 42 3.278 -3.418 -10.642 1.00 1.46 C ATOM 655 OE1 GLU A 42 3.551 -2.243 -10.821 1.00 2.11 O ATOM 656 OE2 GLU A 42 2.507 -4.054 -11.342 1.00 2.11 O ATOM 0 H GLU A 42 2.329 -5.408 -6.306 1.00 0.37 H new ATOM 0 HA GLU A 42 4.848 -4.756 -7.252 1.00 0.42 H new ATOM 0 HB2 GLU A 42 2.259 -4.672 -8.224 1.00 0.51 H new ATOM 0 HB3 GLU A 42 2.659 -2.966 -8.187 1.00 0.51 H new ATOM 0 HG2 GLU A 42 4.943 -3.738 -9.301 1.00 0.98 H new ATOM 0 HG3 GLU A 42 4.061 -5.199 -9.699 1.00 0.98 H new ATOM 663 N ILE A 43 3.422 -2.127 -5.827 1.00 0.38 N ATOM 664 CA ILE A 43 3.755 -0.805 -5.225 1.00 0.37 C ATOM 665 C ILE A 43 4.837 -0.994 -4.161 1.00 0.34 C ATOM 666 O ILE A 43 5.794 -0.248 -4.094 1.00 0.37 O ATOM 667 CB ILE A 43 2.504 -0.207 -4.580 1.00 0.42 C ATOM 668 CG1 ILE A 43 1.496 0.163 -5.671 1.00 0.53 C ATOM 669 CG2 ILE A 43 2.885 1.047 -3.793 1.00 0.48 C ATOM 670 CD1 ILE A 43 0.117 0.374 -5.042 1.00 0.88 C ATOM 0 H ILE A 43 2.440 -2.396 -5.770 1.00 0.38 H new ATOM 0 HA ILE A 43 4.118 -0.131 -6.001 1.00 0.37 H new ATOM 0 HB ILE A 43 2.059 -0.938 -3.905 1.00 0.42 H new ATOM 0 HG12 ILE A 43 1.816 1.070 -6.184 1.00 0.53 H new ATOM 0 HG13 ILE A 43 1.449 -0.627 -6.420 1.00 0.53 H new ATOM 0 HG21 ILE A 43 1.993 1.473 -3.333 1.00 0.48 H new ATOM 0 HG22 ILE A 43 3.604 0.785 -3.016 1.00 0.48 H new ATOM 0 HG23 ILE A 43 3.330 1.778 -4.467 1.00 0.48 H new ATOM 0 HD11 ILE A 43 -0.601 0.637 -5.819 1.00 0.88 H new ATOM 0 HD12 ILE A 43 -0.202 -0.544 -4.549 1.00 0.88 H new ATOM 0 HD13 ILE A 43 0.171 1.179 -4.309 1.00 0.88 H new ATOM 682 N ALA A 44 4.694 -1.989 -3.327 1.00 0.33 N ATOM 683 CA ALA A 44 5.716 -2.227 -2.269 1.00 0.34 C ATOM 684 C ALA A 44 7.082 -2.448 -2.921 1.00 0.31 C ATOM 685 O ALA A 44 8.111 -2.165 -2.341 1.00 0.46 O ATOM 686 CB ALA A 44 5.332 -3.466 -1.458 1.00 0.39 C ATOM 0 H ALA A 44 3.914 -2.646 -3.333 1.00 0.33 H new ATOM 0 HA ALA A 44 5.764 -1.361 -1.609 1.00 0.34 H new ATOM 0 HB1 ALA A 44 6.079 -3.640 -0.684 1.00 0.39 H new ATOM 0 HB2 ALA A 44 4.358 -3.309 -0.994 1.00 0.39 H new ATOM 0 HB3 ALA A 44 5.284 -4.332 -2.118 1.00 0.39 H new ATOM 692 N GLU A 45 7.099 -2.951 -4.125 1.00 0.36 N ATOM 693 CA GLU A 45 8.396 -3.191 -4.816 1.00 0.38 C ATOM 694 C GLU A 45 9.018 -1.849 -5.209 1.00 0.37 C ATOM 695 O GLU A 45 10.212 -1.652 -5.102 1.00 0.39 O ATOM 696 CB GLU A 45 8.157 -4.030 -6.072 1.00 0.49 C ATOM 697 CG GLU A 45 8.977 -5.320 -5.988 1.00 0.94 C ATOM 698 CD GLU A 45 9.140 -5.914 -7.388 1.00 1.32 C ATOM 699 OE1 GLU A 45 8.818 -5.227 -8.343 1.00 1.78 O ATOM 700 OE2 GLU A 45 9.586 -7.046 -7.481 1.00 2.05 O ATOM 0 H GLU A 45 6.269 -3.206 -4.660 1.00 0.36 H new ATOM 0 HA GLU A 45 9.072 -3.724 -4.147 1.00 0.38 H new ATOM 0 HB2 GLU A 45 7.097 -4.266 -6.168 1.00 0.49 H new ATOM 0 HB3 GLU A 45 8.440 -3.464 -6.960 1.00 0.49 H new ATOM 0 HG2 GLU A 45 9.955 -5.114 -5.553 1.00 0.94 H new ATOM 0 HG3 GLU A 45 8.481 -6.036 -5.333 1.00 0.94 H new ATOM 707 N LEU A 46 8.217 -0.925 -5.663 1.00 0.40 N ATOM 708 CA LEU A 46 8.763 0.403 -6.061 1.00 0.46 C ATOM 709 C LEU A 46 9.375 1.089 -4.837 1.00 0.43 C ATOM 710 O LEU A 46 10.383 1.762 -4.930 1.00 0.53 O ATOM 711 CB LEU A 46 7.635 1.271 -6.622 1.00 0.54 C ATOM 712 CG LEU A 46 7.620 1.164 -8.148 1.00 0.99 C ATOM 713 CD1 LEU A 46 6.179 1.259 -8.653 1.00 1.85 C ATOM 714 CD2 LEU A 46 8.445 2.306 -8.746 1.00 1.57 C ATOM 0 H LEU A 46 7.209 -1.032 -5.776 1.00 0.40 H new ATOM 0 HA LEU A 46 9.530 0.268 -6.824 1.00 0.46 H new ATOM 0 HB2 LEU A 46 6.677 0.949 -6.215 1.00 0.54 H new ATOM 0 HB3 LEU A 46 7.776 2.309 -6.321 1.00 0.54 H new ATOM 0 HG LEU A 46 8.048 0.208 -8.449 1.00 0.99 H new ATOM 0 HD11 LEU A 46 6.169 1.183 -9.740 1.00 1.85 H new ATOM 0 HD12 LEU A 46 5.590 0.447 -8.227 1.00 1.85 H new ATOM 0 HD13 LEU A 46 5.750 2.215 -8.352 1.00 1.85 H new ATOM 0 HD21 LEU A 46 8.435 2.231 -9.833 1.00 1.57 H new ATOM 0 HD22 LEU A 46 8.016 3.262 -8.444 1.00 1.57 H new ATOM 0 HD23 LEU A 46 9.472 2.240 -8.387 1.00 1.57 H new ATOM 726 N LYS A 47 8.775 0.924 -3.690 1.00 0.37 N ATOM 727 CA LYS A 47 9.324 1.565 -2.461 1.00 0.40 C ATOM 728 C LYS A 47 10.101 0.526 -1.650 1.00 0.35 C ATOM 729 O LYS A 47 10.385 0.719 -0.485 1.00 0.44 O ATOM 730 CB LYS A 47 8.173 2.117 -1.616 1.00 0.50 C ATOM 731 CG LYS A 47 7.663 3.421 -2.234 1.00 0.69 C ATOM 732 CD LYS A 47 6.136 3.462 -2.152 1.00 1.20 C ATOM 733 CE LYS A 47 5.712 4.057 -0.808 1.00 1.37 C ATOM 734 NZ LYS A 47 4.621 3.229 -0.220 1.00 2.12 N ATOM 0 H LYS A 47 7.928 0.373 -3.550 1.00 0.37 H new ATOM 0 HA LYS A 47 9.991 2.380 -2.742 1.00 0.40 H new ATOM 0 HB2 LYS A 47 7.365 1.387 -1.563 1.00 0.50 H new ATOM 0 HB3 LYS A 47 8.510 2.294 -0.595 1.00 0.50 H new ATOM 0 HG2 LYS A 47 8.089 4.276 -1.709 1.00 0.69 H new ATOM 0 HG3 LYS A 47 7.984 3.493 -3.273 1.00 0.69 H new ATOM 0 HD2 LYS A 47 5.733 4.060 -2.970 1.00 1.20 H new ATOM 0 HD3 LYS A 47 5.728 2.457 -2.261 1.00 1.20 H new ATOM 0 HE2 LYS A 47 6.564 4.091 -0.128 1.00 1.37 H new ATOM 0 HE3 LYS A 47 5.371 5.083 -0.944 1.00 1.37 H new ATOM 0 HZ1 LYS A 47 4.332 3.633 0.694 1.00 2.12 H new ATOM 0 HZ2 LYS A 47 3.806 3.218 -0.867 1.00 2.12 H new ATOM 0 HZ3 LYS A 47 4.962 2.257 -0.076 1.00 2.12 H new ATOM 748 N MET A 48 10.445 -0.576 -2.258 1.00 0.39 N ATOM 749 CA MET A 48 11.202 -1.630 -1.526 1.00 0.38 C ATOM 750 C MET A 48 12.485 -1.035 -0.933 1.00 0.39 C ATOM 751 O MET A 48 12.739 -1.174 0.247 1.00 0.43 O ATOM 752 CB MET A 48 11.562 -2.763 -2.489 1.00 0.47 C ATOM 753 CG MET A 48 11.146 -4.104 -1.881 1.00 1.02 C ATOM 754 SD MET A 48 12.082 -5.439 -2.666 1.00 1.36 S ATOM 755 CE MET A 48 13.002 -5.965 -1.200 1.00 0.90 C ATOM 0 H MET A 48 10.234 -0.792 -3.232 1.00 0.39 H new ATOM 0 HA MET A 48 10.582 -2.020 -0.719 1.00 0.38 H new ATOM 0 HB2 MET A 48 11.060 -2.614 -3.445 1.00 0.47 H new ATOM 0 HB3 MET A 48 12.634 -2.759 -2.687 1.00 0.47 H new ATOM 0 HG2 MET A 48 11.329 -4.100 -0.806 1.00 1.02 H new ATOM 0 HG3 MET A 48 10.077 -4.263 -2.022 1.00 1.02 H new ATOM 0 HE1 MET A 48 13.402 -6.966 -1.361 1.00 0.90 H new ATOM 0 HE2 MET A 48 13.823 -5.272 -1.017 1.00 0.90 H new ATOM 0 HE3 MET A 48 12.336 -5.975 -0.337 1.00 0.90 H new ATOM 765 N PRO A 49 13.258 -0.390 -1.771 1.00 0.47 N ATOM 766 CA PRO A 49 14.527 0.234 -1.355 1.00 0.59 C ATOM 767 C PRO A 49 14.260 1.559 -0.634 1.00 0.61 C ATOM 768 O PRO A 49 15.166 2.206 -0.148 1.00 0.87 O ATOM 769 CB PRO A 49 15.264 0.465 -2.677 1.00 0.72 C ATOM 770 CG PRO A 49 14.182 0.491 -3.782 1.00 0.68 C ATOM 771 CD PRO A 49 12.944 -0.222 -3.205 1.00 0.53 C ATOM 0 HA PRO A 49 15.099 -0.378 -0.658 1.00 0.59 H new ATOM 0 HB2 PRO A 49 15.818 1.403 -2.654 1.00 0.72 H new ATOM 0 HB3 PRO A 49 15.988 -0.328 -2.861 1.00 0.72 H new ATOM 0 HG2 PRO A 49 13.942 1.516 -4.065 1.00 0.68 H new ATOM 0 HG3 PRO A 49 14.535 -0.013 -4.682 1.00 0.68 H new ATOM 0 HD2 PRO A 49 12.040 0.371 -3.348 1.00 0.53 H new ATOM 0 HD3 PRO A 49 12.775 -1.183 -3.691 1.00 0.53 H new ATOM 779 N ASP A 50 13.022 1.964 -0.558 1.00 0.59 N ATOM 780 CA ASP A 50 12.698 3.242 0.134 1.00 0.65 C ATOM 781 C ASP A 50 12.053 2.937 1.487 1.00 0.69 C ATOM 782 O ASP A 50 11.892 3.807 2.320 1.00 0.93 O ATOM 783 CB ASP A 50 11.726 4.055 -0.724 1.00 0.67 C ATOM 784 CG ASP A 50 12.334 4.281 -2.109 1.00 0.94 C ATOM 785 OD1 ASP A 50 12.217 3.393 -2.938 1.00 1.32 O ATOM 786 OD2 ASP A 50 12.907 5.337 -2.318 1.00 1.71 O ATOM 0 H ASP A 50 12.221 1.465 -0.945 1.00 0.59 H new ATOM 0 HA ASP A 50 13.612 3.815 0.287 1.00 0.65 H new ATOM 0 HB2 ASP A 50 10.776 3.529 -0.814 1.00 0.67 H new ATOM 0 HB3 ASP A 50 11.516 5.012 -0.247 1.00 0.67 H new ATOM 791 N LEU A 51 11.683 1.706 1.714 1.00 0.67 N ATOM 792 CA LEU A 51 11.051 1.344 3.013 1.00 0.82 C ATOM 793 C LEU A 51 12.097 0.701 3.926 1.00 0.78 C ATOM 794 O LEU A 51 11.859 0.476 5.096 1.00 0.95 O ATOM 795 CB LEU A 51 9.912 0.352 2.767 1.00 0.95 C ATOM 796 CG LEU A 51 8.932 0.941 1.752 1.00 0.75 C ATOM 797 CD1 LEU A 51 8.385 -0.177 0.863 1.00 1.30 C ATOM 798 CD2 LEU A 51 7.776 1.615 2.493 1.00 1.16 C ATOM 0 H LEU A 51 11.792 0.935 1.055 1.00 0.67 H new ATOM 0 HA LEU A 51 10.655 2.242 3.488 1.00 0.82 H new ATOM 0 HB2 LEU A 51 10.312 -0.592 2.397 1.00 0.95 H new ATOM 0 HB3 LEU A 51 9.396 0.135 3.702 1.00 0.95 H new ATOM 0 HG LEU A 51 9.447 1.677 1.134 1.00 0.75 H new ATOM 0 HD11 LEU A 51 7.686 0.243 0.139 1.00 1.30 H new ATOM 0 HD12 LEU A 51 9.209 -0.658 0.335 1.00 1.30 H new ATOM 0 HD13 LEU A 51 7.870 -0.913 1.480 1.00 1.30 H new ATOM 0 HD21 LEU A 51 7.077 2.035 1.770 1.00 1.16 H new ATOM 0 HD22 LEU A 51 7.261 0.879 3.110 1.00 1.16 H new ATOM 0 HD23 LEU A 51 8.165 2.412 3.127 1.00 1.16 H new ATOM 810 N ASN A 52 13.254 0.401 3.400 1.00 0.78 N ATOM 811 CA ASN A 52 14.313 -0.228 4.238 1.00 0.84 C ATOM 812 C ASN A 52 13.949 -1.690 4.507 1.00 0.67 C ATOM 813 O ASN A 52 14.206 -2.218 5.571 1.00 0.85 O ATOM 814 CB ASN A 52 14.428 0.526 5.565 1.00 1.13 C ATOM 815 CG ASN A 52 15.905 0.699 5.926 1.00 1.59 C ATOM 816 OD1 ASN A 52 16.757 0.701 5.060 1.00 2.02 O ATOM 817 ND2 ASN A 52 16.246 0.847 7.177 1.00 2.39 N ATOM 0 H ASN A 52 13.511 0.565 2.426 1.00 0.78 H new ATOM 0 HA ASN A 52 15.267 -0.184 3.713 1.00 0.84 H new ATOM 0 HB2 ASN A 52 13.945 1.500 5.485 1.00 1.13 H new ATOM 0 HB3 ASN A 52 13.912 -0.022 6.353 1.00 1.13 H new ATOM 0 HD21 ASN A 52 17.228 0.964 7.428 1.00 2.39 H new ATOM 0 HD22 ASN A 52 15.531 0.845 7.904 1.00 2.39 H new ATOM 824 N ALA A 53 13.352 -2.348 3.551 1.00 0.53 N ATOM 825 CA ALA A 53 12.972 -3.776 3.752 1.00 0.45 C ATOM 826 C ALA A 53 14.036 -4.681 3.126 1.00 0.46 C ATOM 827 O ALA A 53 14.679 -4.323 2.159 1.00 0.61 O ATOM 828 CB ALA A 53 11.621 -4.043 3.085 1.00 0.51 C ATOM 0 H ALA A 53 13.111 -1.959 2.639 1.00 0.53 H new ATOM 0 HA ALA A 53 12.899 -3.985 4.819 1.00 0.45 H new ATOM 0 HB1 ALA A 53 11.343 -5.087 3.232 1.00 0.51 H new ATOM 0 HB2 ALA A 53 10.862 -3.399 3.530 1.00 0.51 H new ATOM 0 HB3 ALA A 53 11.694 -3.834 2.018 1.00 0.51 H new ATOM 834 N ALA A 54 14.226 -5.852 3.670 1.00 0.48 N ATOM 835 CA ALA A 54 15.248 -6.779 3.107 1.00 0.60 C ATOM 836 C ALA A 54 14.651 -7.538 1.920 1.00 0.56 C ATOM 837 O ALA A 54 15.346 -7.908 0.994 1.00 0.80 O ATOM 838 CB ALA A 54 15.680 -7.777 4.184 1.00 0.76 C ATOM 0 H ALA A 54 13.718 -6.207 4.480 1.00 0.48 H new ATOM 0 HA ALA A 54 16.113 -6.206 2.774 1.00 0.60 H new ATOM 0 HB1 ALA A 54 16.428 -8.455 3.773 1.00 0.76 H new ATOM 0 HB2 ALA A 54 16.106 -7.238 5.030 1.00 0.76 H new ATOM 0 HB3 ALA A 54 14.815 -8.350 4.517 1.00 0.76 H new ATOM 844 N SER A 55 13.368 -7.775 1.939 1.00 0.48 N ATOM 845 CA SER A 55 12.730 -8.511 0.811 1.00 0.48 C ATOM 846 C SER A 55 11.243 -8.154 0.744 1.00 0.42 C ATOM 847 O SER A 55 10.748 -7.367 1.526 1.00 0.36 O ATOM 848 CB SER A 55 12.884 -10.016 1.033 1.00 0.58 C ATOM 849 OG SER A 55 12.779 -10.299 2.422 1.00 0.63 O ATOM 0 H SER A 55 12.734 -7.491 2.686 1.00 0.48 H new ATOM 0 HA SER A 55 13.213 -8.230 -0.125 1.00 0.48 H new ATOM 0 HB2 SER A 55 12.116 -10.557 0.481 1.00 0.58 H new ATOM 0 HB3 SER A 55 13.848 -10.355 0.653 1.00 0.58 H new ATOM 0 HG SER A 55 12.876 -11.263 2.568 1.00 0.63 H new ATOM 855 N ILE A 56 10.527 -8.727 -0.186 1.00 0.47 N ATOM 856 CA ILE A 56 9.074 -8.420 -0.301 1.00 0.47 C ATOM 857 C ILE A 56 8.368 -8.805 0.999 1.00 0.44 C ATOM 858 O ILE A 56 7.592 -8.045 1.544 1.00 0.43 O ATOM 859 CB ILE A 56 8.471 -9.216 -1.459 1.00 0.58 C ATOM 860 CG1 ILE A 56 9.383 -9.110 -2.684 1.00 0.95 C ATOM 861 CG2 ILE A 56 7.091 -8.650 -1.803 1.00 0.86 C ATOM 862 CD1 ILE A 56 9.752 -7.645 -2.922 1.00 0.91 C ATOM 0 H ILE A 56 10.886 -9.393 -0.870 1.00 0.47 H new ATOM 0 HA ILE A 56 8.944 -7.354 -0.487 1.00 0.47 H new ATOM 0 HB ILE A 56 8.375 -10.262 -1.167 1.00 0.58 H new ATOM 0 HG12 ILE A 56 10.285 -9.703 -2.531 1.00 0.95 H new ATOM 0 HG13 ILE A 56 8.880 -9.516 -3.561 1.00 0.95 H new ATOM 0 HG21 ILE A 56 6.661 -9.217 -2.628 1.00 0.86 H new ATOM 0 HG22 ILE A 56 6.439 -8.725 -0.932 1.00 0.86 H new ATOM 0 HG23 ILE A 56 7.189 -7.604 -2.093 1.00 0.86 H new ATOM 0 HD11 ILE A 56 10.401 -7.570 -3.794 1.00 0.91 H new ATOM 0 HD12 ILE A 56 8.845 -7.065 -3.094 1.00 0.91 H new ATOM 0 HD13 ILE A 56 10.273 -7.254 -2.048 1.00 0.91 H new ATOM 874 N GLU A 57 8.629 -9.981 1.502 1.00 0.48 N ATOM 875 CA GLU A 57 7.973 -10.409 2.768 1.00 0.53 C ATOM 876 C GLU A 57 8.012 -9.254 3.770 1.00 0.48 C ATOM 877 O GLU A 57 7.158 -9.130 4.626 1.00 0.52 O ATOM 878 CB GLU A 57 8.716 -11.615 3.347 1.00 0.62 C ATOM 879 CG GLU A 57 8.442 -12.848 2.483 1.00 0.81 C ATOM 880 CD GLU A 57 8.690 -14.114 3.305 1.00 1.25 C ATOM 881 OE1 GLU A 57 8.050 -14.264 4.333 1.00 1.80 O ATOM 882 OE2 GLU A 57 9.516 -14.911 2.893 1.00 1.96 O ATOM 0 H GLU A 57 9.267 -10.662 1.091 1.00 0.48 H new ATOM 0 HA GLU A 57 6.938 -10.686 2.569 1.00 0.53 H new ATOM 0 HB2 GLU A 57 9.787 -11.413 3.382 1.00 0.62 H new ATOM 0 HB3 GLU A 57 8.392 -11.797 4.372 1.00 0.62 H new ATOM 0 HG2 GLU A 57 7.413 -12.831 2.123 1.00 0.81 H new ATOM 0 HG3 GLU A 57 9.087 -12.840 1.605 1.00 0.81 H new ATOM 889 N ALA A 58 8.998 -8.405 3.667 1.00 0.42 N ATOM 890 CA ALA A 58 9.093 -7.254 4.608 1.00 0.42 C ATOM 891 C ALA A 58 8.342 -6.056 4.024 1.00 0.35 C ATOM 892 O ALA A 58 7.729 -5.288 4.738 1.00 0.39 O ATOM 893 CB ALA A 58 10.563 -6.883 4.813 1.00 0.44 C ATOM 0 H ALA A 58 9.742 -8.459 2.971 1.00 0.42 H new ATOM 0 HA ALA A 58 8.651 -7.529 5.565 1.00 0.42 H new ATOM 0 HB1 ALA A 58 10.633 -6.041 5.501 1.00 0.44 H new ATOM 0 HB2 ALA A 58 11.099 -7.736 5.228 1.00 0.44 H new ATOM 0 HB3 ALA A 58 11.005 -6.607 3.856 1.00 0.44 H new ATOM 899 N ALA A 59 8.384 -5.891 2.730 1.00 0.29 N ATOM 900 CA ALA A 59 7.671 -4.742 2.102 1.00 0.26 C ATOM 901 C ALA A 59 6.176 -5.056 2.014 1.00 0.23 C ATOM 902 O ALA A 59 5.362 -4.441 2.676 1.00 0.33 O ATOM 903 CB ALA A 59 8.226 -4.504 0.696 1.00 0.30 C ATOM 0 H ALA A 59 8.881 -6.501 2.081 1.00 0.29 H new ATOM 0 HA ALA A 59 7.819 -3.848 2.707 1.00 0.26 H new ATOM 0 HB1 ALA A 59 7.705 -3.664 0.237 1.00 0.30 H new ATOM 0 HB2 ALA A 59 9.291 -4.280 0.758 1.00 0.30 H new ATOM 0 HB3 ALA A 59 8.078 -5.398 0.090 1.00 0.30 H new ATOM 909 N MET A 60 5.807 -6.008 1.202 1.00 0.39 N ATOM 910 CA MET A 60 4.365 -6.360 1.074 1.00 0.41 C ATOM 911 C MET A 60 3.732 -6.422 2.465 1.00 0.37 C ATOM 912 O MET A 60 2.548 -6.203 2.628 1.00 0.38 O ATOM 913 CB MET A 60 4.229 -7.722 0.390 1.00 0.54 C ATOM 914 CG MET A 60 3.055 -7.686 -0.591 1.00 1.25 C ATOM 915 SD MET A 60 1.765 -8.824 -0.030 1.00 1.69 S ATOM 916 CE MET A 60 2.416 -10.316 -0.821 1.00 0.72 C ATOM 0 H MET A 60 6.441 -6.557 0.622 1.00 0.39 H new ATOM 0 HA MET A 60 3.858 -5.603 0.476 1.00 0.41 H new ATOM 0 HB2 MET A 60 5.150 -7.969 -0.138 1.00 0.54 H new ATOM 0 HB3 MET A 60 4.070 -8.501 1.136 1.00 0.54 H new ATOM 0 HG2 MET A 60 2.657 -6.674 -0.661 1.00 1.25 H new ATOM 0 HG3 MET A 60 3.392 -7.965 -1.589 1.00 1.25 H new ATOM 0 HE1 MET A 60 1.906 -10.476 -1.771 1.00 0.72 H new ATOM 0 HE2 MET A 60 3.485 -10.197 -0.999 1.00 0.72 H new ATOM 0 HE3 MET A 60 2.250 -11.175 -0.170 1.00 0.72 H new ATOM 926 N ARG A 61 4.511 -6.717 3.470 1.00 0.40 N ATOM 927 CA ARG A 61 3.951 -6.790 4.848 1.00 0.46 C ATOM 928 C ARG A 61 3.374 -5.429 5.233 1.00 0.41 C ATOM 929 O ARG A 61 2.237 -5.317 5.646 1.00 0.54 O ATOM 930 CB ARG A 61 5.059 -7.174 5.832 1.00 0.54 C ATOM 931 CG ARG A 61 4.533 -8.232 6.805 1.00 0.96 C ATOM 932 CD ARG A 61 5.435 -8.284 8.040 1.00 1.28 C ATOM 933 NE ARG A 61 4.686 -7.775 9.223 1.00 2.01 N ATOM 934 CZ ARG A 61 4.733 -8.424 10.355 1.00 2.57 C ATOM 935 NH1 ARG A 61 5.883 -8.804 10.841 1.00 2.96 N ATOM 936 NH2 ARG A 61 3.630 -8.694 10.999 1.00 3.29 N ATOM 0 H ARG A 61 5.510 -6.910 3.396 1.00 0.40 H new ATOM 0 HA ARG A 61 3.163 -7.542 4.881 1.00 0.46 H new ATOM 0 HB2 ARG A 61 5.923 -7.560 5.291 1.00 0.54 H new ATOM 0 HB3 ARG A 61 5.394 -6.294 6.381 1.00 0.54 H new ATOM 0 HG2 ARG A 61 3.510 -7.995 7.098 1.00 0.96 H new ATOM 0 HG3 ARG A 61 4.507 -9.207 6.319 1.00 0.96 H new ATOM 0 HD2 ARG A 61 5.767 -9.307 8.219 1.00 1.28 H new ATOM 0 HD3 ARG A 61 6.329 -7.683 7.876 1.00 1.28 H new ATOM 0 HE ARG A 61 4.136 -6.919 9.149 1.00 2.01 H new ATOM 0 HH11 ARG A 61 6.744 -8.594 10.337 1.00 2.96 H new ATOM 0 HH12 ARG A 61 5.921 -9.311 11.725 1.00 2.96 H new ATOM 0 HH21 ARG A 61 2.731 -8.398 10.618 1.00 3.29 H new ATOM 0 HH22 ARG A 61 3.667 -9.201 11.883 1.00 3.29 H new ATOM 950 N MET A 62 4.151 -4.393 5.095 1.00 0.32 N ATOM 951 CA MET A 62 3.652 -3.034 5.447 1.00 0.38 C ATOM 952 C MET A 62 2.519 -2.650 4.492 1.00 0.34 C ATOM 953 O MET A 62 1.699 -1.806 4.793 1.00 0.37 O ATOM 954 CB MET A 62 4.792 -2.021 5.318 1.00 0.42 C ATOM 955 CG MET A 62 5.983 -2.482 6.160 1.00 0.54 C ATOM 956 SD MET A 62 7.330 -1.283 6.004 1.00 0.67 S ATOM 957 CE MET A 62 8.607 -2.445 5.462 1.00 0.56 C ATOM 0 H MET A 62 5.111 -4.428 4.753 1.00 0.32 H new ATOM 0 HA MET A 62 3.283 -3.035 6.473 1.00 0.38 H new ATOM 0 HB2 MET A 62 5.088 -1.922 4.274 1.00 0.42 H new ATOM 0 HB3 MET A 62 4.458 -1.038 5.649 1.00 0.42 H new ATOM 0 HG2 MET A 62 5.688 -2.580 7.205 1.00 0.54 H new ATOM 0 HG3 MET A 62 6.317 -3.466 5.830 1.00 0.54 H new ATOM 0 HE1 MET A 62 9.588 -1.979 5.558 1.00 0.56 H new ATOM 0 HE2 MET A 62 8.569 -3.342 6.081 1.00 0.56 H new ATOM 0 HE3 MET A 62 8.434 -2.716 4.420 1.00 0.56 H new ATOM 967 N ILE A 63 2.469 -3.267 3.343 1.00 0.31 N ATOM 968 CA ILE A 63 1.391 -2.941 2.366 1.00 0.31 C ATOM 969 C ILE A 63 0.098 -3.647 2.777 1.00 0.28 C ATOM 970 O ILE A 63 -0.987 -3.187 2.488 1.00 0.29 O ATOM 971 CB ILE A 63 1.812 -3.410 0.973 1.00 0.35 C ATOM 972 CG1 ILE A 63 3.115 -2.714 0.572 1.00 0.51 C ATOM 973 CG2 ILE A 63 0.718 -3.059 -0.035 1.00 0.48 C ATOM 974 CD1 ILE A 63 3.002 -1.214 0.853 1.00 0.92 C ATOM 0 H ILE A 63 3.128 -3.983 3.038 1.00 0.31 H new ATOM 0 HA ILE A 63 1.224 -1.864 2.352 1.00 0.31 H new ATOM 0 HB ILE A 63 1.964 -4.489 0.984 1.00 0.35 H new ATOM 0 HG12 ILE A 63 3.951 -3.137 1.129 1.00 0.51 H new ATOM 0 HG13 ILE A 63 3.319 -2.882 -0.486 1.00 0.51 H new ATOM 0 HG21 ILE A 63 1.018 -3.393 -1.028 1.00 0.48 H new ATOM 0 HG22 ILE A 63 -0.211 -3.553 0.249 1.00 0.48 H new ATOM 0 HG23 ILE A 63 0.566 -1.980 -0.046 1.00 0.48 H new ATOM 0 HD11 ILE A 63 3.930 -0.719 0.567 1.00 0.92 H new ATOM 0 HD12 ILE A 63 2.176 -0.797 0.277 1.00 0.92 H new ATOM 0 HD13 ILE A 63 2.819 -1.056 1.916 1.00 0.92 H new ATOM 986 N GLU A 64 0.202 -4.759 3.450 1.00 0.30 N ATOM 987 CA GLU A 64 -1.028 -5.484 3.877 1.00 0.32 C ATOM 988 C GLU A 64 -1.570 -4.849 5.159 1.00 0.33 C ATOM 989 O GLU A 64 -2.759 -4.645 5.307 1.00 0.53 O ATOM 990 CB GLU A 64 -0.692 -6.954 4.137 1.00 0.43 C ATOM 991 CG GLU A 64 -1.843 -7.836 3.647 1.00 1.23 C ATOM 992 CD GLU A 64 -1.910 -9.107 4.496 1.00 1.60 C ATOM 993 OE1 GLU A 64 -0.946 -9.854 4.487 1.00 2.08 O ATOM 994 OE2 GLU A 64 -2.925 -9.311 5.142 1.00 2.18 O ATOM 0 H GLU A 64 1.082 -5.196 3.722 1.00 0.30 H new ATOM 0 HA GLU A 64 -1.780 -5.420 3.091 1.00 0.32 H new ATOM 0 HB2 GLU A 64 0.231 -7.223 3.623 1.00 0.43 H new ATOM 0 HB3 GLU A 64 -0.523 -7.117 5.201 1.00 0.43 H new ATOM 0 HG2 GLU A 64 -2.785 -7.292 3.713 1.00 1.23 H new ATOM 0 HG3 GLU A 64 -1.696 -8.094 2.598 1.00 1.23 H new ATOM 1001 N GLY A 65 -0.708 -4.531 6.085 1.00 0.34 N ATOM 1002 CA GLY A 65 -1.175 -3.905 7.354 1.00 0.37 C ATOM 1003 C GLY A 65 -1.491 -2.430 7.107 1.00 0.35 C ATOM 1004 O GLY A 65 -2.329 -1.845 7.763 1.00 0.42 O ATOM 0 H GLY A 65 0.299 -4.677 6.018 1.00 0.34 H new ATOM 0 HA2 GLY A 65 -2.061 -4.421 7.722 1.00 0.37 H new ATOM 0 HA3 GLY A 65 -0.408 -4.000 8.123 1.00 0.37 H new ATOM 1008 N THR A 66 -0.827 -1.824 6.160 1.00 0.30 N ATOM 1009 CA THR A 66 -1.092 -0.388 5.867 1.00 0.33 C ATOM 1010 C THR A 66 -2.255 -0.280 4.879 1.00 0.31 C ATOM 1011 O THR A 66 -3.006 0.675 4.891 1.00 0.38 O ATOM 1012 CB THR A 66 0.158 0.249 5.254 1.00 0.39 C ATOM 1013 OG1 THR A 66 1.262 0.060 6.129 1.00 0.42 O ATOM 1014 CG2 THR A 66 -0.080 1.746 5.046 1.00 0.52 C ATOM 0 H THR A 66 -0.113 -2.262 5.578 1.00 0.30 H new ATOM 0 HA THR A 66 -1.347 0.131 6.791 1.00 0.33 H new ATOM 0 HB THR A 66 0.371 -0.220 4.293 1.00 0.39 H new ATOM 0 HG1 THR A 66 1.897 -0.566 5.724 1.00 0.42 H new ATOM 0 HG21 THR A 66 0.810 2.199 4.610 1.00 0.52 H new ATOM 0 HG22 THR A 66 -0.927 1.890 4.375 1.00 0.52 H new ATOM 0 HG23 THR A 66 -0.294 2.217 6.005 1.00 0.52 H new ATOM 1022 N ALA A 67 -2.412 -1.255 4.026 1.00 0.27 N ATOM 1023 CA ALA A 67 -3.527 -1.210 3.040 1.00 0.29 C ATOM 1024 C ALA A 67 -4.763 -1.880 3.645 1.00 0.39 C ATOM 1025 O ALA A 67 -5.704 -2.212 2.952 1.00 0.69 O ATOM 1026 CB ALA A 67 -3.113 -1.952 1.766 1.00 0.28 C ATOM 0 H ALA A 67 -1.816 -2.081 3.970 1.00 0.27 H new ATOM 0 HA ALA A 67 -3.757 -0.173 2.795 1.00 0.29 H new ATOM 0 HB1 ALA A 67 -3.929 -1.919 1.044 1.00 0.28 H new ATOM 0 HB2 ALA A 67 -2.231 -1.476 1.338 1.00 0.28 H new ATOM 0 HB3 ALA A 67 -2.884 -2.990 2.008 1.00 0.28 H new ATOM 1032 N ARG A 68 -4.766 -2.079 4.936 1.00 0.35 N ATOM 1033 CA ARG A 68 -5.939 -2.726 5.590 1.00 0.44 C ATOM 1034 C ARG A 68 -6.423 -1.851 6.748 1.00 0.51 C ATOM 1035 O ARG A 68 -7.608 -1.695 6.967 1.00 0.63 O ATOM 1036 CB ARG A 68 -5.530 -4.100 6.126 1.00 0.51 C ATOM 1037 CG ARG A 68 -6.779 -4.875 6.553 1.00 1.25 C ATOM 1038 CD ARG A 68 -6.454 -6.368 6.630 1.00 1.61 C ATOM 1039 NE ARG A 68 -6.596 -6.835 8.038 1.00 2.12 N ATOM 1040 CZ ARG A 68 -6.848 -8.092 8.288 1.00 2.63 C ATOM 1041 NH1 ARG A 68 -5.930 -8.995 8.075 1.00 3.33 N ATOM 1042 NH2 ARG A 68 -8.016 -8.443 8.751 1.00 3.06 N ATOM 0 H ARG A 68 -4.006 -1.821 5.566 1.00 0.35 H new ATOM 0 HA ARG A 68 -6.742 -2.844 4.862 1.00 0.44 H new ATOM 0 HB2 ARG A 68 -4.989 -4.655 5.359 1.00 0.51 H new ATOM 0 HB3 ARG A 68 -4.853 -3.985 6.973 1.00 0.51 H new ATOM 0 HG2 ARG A 68 -7.128 -4.518 7.522 1.00 1.25 H new ATOM 0 HG3 ARG A 68 -7.587 -4.704 5.841 1.00 1.25 H new ATOM 0 HD2 ARG A 68 -7.123 -6.931 5.980 1.00 1.61 H new ATOM 0 HD3 ARG A 68 -5.439 -6.549 6.276 1.00 1.61 H new ATOM 0 HE ARG A 68 -6.496 -6.172 8.807 1.00 2.12 H new ATOM 0 HH11 ARG A 68 -5.017 -8.719 7.714 1.00 3.33 H new ATOM 0 HH12 ARG A 68 -6.126 -9.977 8.270 1.00 3.33 H new ATOM 0 HH21 ARG A 68 -8.732 -7.736 8.918 1.00 3.06 H new ATOM 0 HH22 ARG A 68 -8.213 -9.425 8.946 1.00 3.06 H new ATOM 1056 N SER A 69 -5.516 -1.280 7.493 1.00 0.58 N ATOM 1057 CA SER A 69 -5.926 -0.417 8.637 1.00 0.71 C ATOM 1058 C SER A 69 -6.714 0.786 8.115 1.00 0.59 C ATOM 1059 O SER A 69 -7.358 1.491 8.866 1.00 0.71 O ATOM 1060 CB SER A 69 -4.680 0.071 9.378 1.00 0.99 C ATOM 1061 OG SER A 69 -4.296 -0.900 10.342 1.00 1.80 O ATOM 0 H SER A 69 -4.509 -1.374 7.359 1.00 0.58 H new ATOM 0 HA SER A 69 -6.553 -0.992 9.319 1.00 0.71 H new ATOM 0 HB2 SER A 69 -3.867 0.241 8.673 1.00 0.99 H new ATOM 0 HB3 SER A 69 -4.883 1.024 9.866 1.00 0.99 H new ATOM 0 HG SER A 69 -3.497 -0.591 10.817 1.00 1.80 H new ATOM 1067 N MET A 70 -6.669 1.028 6.833 1.00 0.53 N ATOM 1068 CA MET A 70 -7.416 2.187 6.266 1.00 0.57 C ATOM 1069 C MET A 70 -8.806 1.729 5.819 1.00 0.56 C ATOM 1070 O MET A 70 -9.729 2.515 5.729 1.00 0.91 O ATOM 1071 CB MET A 70 -6.651 2.750 5.066 1.00 0.68 C ATOM 1072 CG MET A 70 -5.541 3.681 5.559 1.00 0.84 C ATOM 1073 SD MET A 70 -5.052 4.797 4.220 1.00 0.97 S ATOM 1074 CE MET A 70 -4.441 3.531 3.081 1.00 0.67 C ATOM 0 H MET A 70 -6.148 0.474 6.154 1.00 0.53 H new ATOM 0 HA MET A 70 -7.517 2.961 7.026 1.00 0.57 H new ATOM 0 HB2 MET A 70 -6.224 1.937 4.479 1.00 0.68 H new ATOM 0 HB3 MET A 70 -7.331 3.293 4.410 1.00 0.68 H new ATOM 0 HG2 MET A 70 -5.888 4.256 6.418 1.00 0.84 H new ATOM 0 HG3 MET A 70 -4.683 3.097 5.892 1.00 0.84 H new ATOM 0 HE1 MET A 70 -4.148 3.998 2.141 1.00 0.67 H new ATOM 0 HE2 MET A 70 -3.579 3.031 3.522 1.00 0.67 H new ATOM 0 HE3 MET A 70 -5.228 2.800 2.893 1.00 0.67 H new ATOM 1084 N GLY A 71 -8.965 0.464 5.539 1.00 0.41 N ATOM 1085 CA GLY A 71 -10.297 -0.040 5.099 1.00 0.55 C ATOM 1086 C GLY A 71 -10.149 -0.793 3.777 1.00 0.51 C ATOM 1087 O GLY A 71 -11.055 -1.470 3.332 1.00 0.74 O ATOM 0 H GLY A 71 -8.231 -0.242 5.596 1.00 0.41 H new ATOM 0 HA2 GLY A 71 -10.717 -0.699 5.859 1.00 0.55 H new ATOM 0 HA3 GLY A 71 -10.991 0.792 4.979 1.00 0.55 H new ATOM 1091 N ILE A 72 -9.014 -0.681 3.144 1.00 0.36 N ATOM 1092 CA ILE A 72 -8.810 -1.391 1.850 1.00 0.33 C ATOM 1093 C ILE A 72 -8.449 -2.853 2.121 1.00 0.31 C ATOM 1094 O ILE A 72 -7.828 -3.174 3.113 1.00 0.37 O ATOM 1095 CB ILE A 72 -7.670 -0.726 1.078 1.00 0.33 C ATOM 1096 CG1 ILE A 72 -7.923 0.782 0.992 1.00 0.42 C ATOM 1097 CG2 ILE A 72 -7.600 -1.313 -0.332 1.00 0.41 C ATOM 1098 CD1 ILE A 72 -6.724 1.533 1.574 1.00 0.55 C ATOM 0 H ILE A 72 -8.219 -0.129 3.467 1.00 0.36 H new ATOM 0 HA ILE A 72 -9.727 -1.343 1.263 1.00 0.33 H new ATOM 0 HB ILE A 72 -6.727 -0.907 1.594 1.00 0.33 H new ATOM 0 HG12 ILE A 72 -8.082 1.077 -0.045 1.00 0.42 H new ATOM 0 HG13 ILE A 72 -8.829 1.042 1.539 1.00 0.42 H new ATOM 0 HG21 ILE A 72 -6.788 -0.840 -0.883 1.00 0.41 H new ATOM 0 HG22 ILE A 72 -7.420 -2.386 -0.271 1.00 0.41 H new ATOM 0 HG23 ILE A 72 -8.543 -1.132 -0.849 1.00 0.41 H new ATOM 0 HD11 ILE A 72 -6.903 2.607 1.513 1.00 0.55 H new ATOM 0 HD12 ILE A 72 -6.586 1.246 2.617 1.00 0.55 H new ATOM 0 HD13 ILE A 72 -5.827 1.282 1.007 1.00 0.55 H new ATOM 1110 N VAL A 73 -8.829 -3.741 1.244 1.00 0.35 N ATOM 1111 CA VAL A 73 -8.500 -5.179 1.453 1.00 0.37 C ATOM 1112 C VAL A 73 -7.457 -5.610 0.416 1.00 0.34 C ATOM 1113 O VAL A 73 -6.986 -4.811 -0.369 1.00 0.53 O ATOM 1114 CB VAL A 73 -9.775 -6.023 1.310 1.00 0.44 C ATOM 1115 CG1 VAL A 73 -10.072 -6.292 -0.166 1.00 0.42 C ATOM 1116 CG2 VAL A 73 -9.588 -7.355 2.040 1.00 0.53 C ATOM 0 H VAL A 73 -9.352 -3.534 0.393 1.00 0.35 H new ATOM 0 HA VAL A 73 -8.093 -5.327 2.453 1.00 0.37 H new ATOM 0 HB VAL A 73 -10.611 -5.475 1.745 1.00 0.44 H new ATOM 0 HG11 VAL A 73 -10.978 -6.891 -0.251 1.00 0.42 H new ATOM 0 HG12 VAL A 73 -10.213 -5.345 -0.687 1.00 0.42 H new ATOM 0 HG13 VAL A 73 -9.237 -6.832 -0.613 1.00 0.42 H new ATOM 0 HG21 VAL A 73 -10.492 -7.955 1.939 1.00 0.53 H new ATOM 0 HG22 VAL A 73 -8.745 -7.893 1.606 1.00 0.53 H new ATOM 0 HG23 VAL A 73 -9.393 -7.167 3.096 1.00 0.53 H new ATOM 1126 N VAL A 74 -7.092 -6.862 0.403 1.00 0.36 N ATOM 1127 CA VAL A 74 -6.081 -7.326 -0.586 1.00 0.34 C ATOM 1128 C VAL A 74 -6.458 -8.730 -1.080 1.00 0.43 C ATOM 1129 O VAL A 74 -6.676 -9.635 -0.299 1.00 0.59 O ATOM 1130 CB VAL A 74 -4.690 -7.323 0.078 1.00 0.38 C ATOM 1131 CG1 VAL A 74 -4.317 -8.723 0.581 1.00 0.49 C ATOM 1132 CG2 VAL A 74 -3.645 -6.856 -0.937 1.00 0.36 C ATOM 0 H VAL A 74 -7.449 -7.581 1.032 1.00 0.36 H new ATOM 0 HA VAL A 74 -6.056 -6.658 -1.447 1.00 0.34 H new ATOM 0 HB VAL A 74 -4.717 -6.645 0.931 1.00 0.38 H new ATOM 0 HG11 VAL A 74 -3.331 -8.692 1.045 1.00 0.49 H new ATOM 0 HG12 VAL A 74 -5.053 -9.054 1.314 1.00 0.49 H new ATOM 0 HG13 VAL A 74 -4.302 -9.419 -0.258 1.00 0.49 H new ATOM 0 HG21 VAL A 74 -2.660 -6.853 -0.470 1.00 0.36 H new ATOM 0 HG22 VAL A 74 -3.639 -7.533 -1.791 1.00 0.36 H new ATOM 0 HG23 VAL A 74 -3.890 -5.849 -1.274 1.00 0.36 H new ATOM 1142 N GLU A 75 -6.538 -8.915 -2.370 1.00 0.39 N ATOM 1143 CA GLU A 75 -6.903 -10.257 -2.909 1.00 0.50 C ATOM 1144 C GLU A 75 -5.631 -11.047 -3.225 1.00 0.61 C ATOM 1145 O GLU A 75 -5.054 -10.914 -4.286 1.00 1.25 O ATOM 1146 CB GLU A 75 -7.727 -10.088 -4.187 1.00 1.09 C ATOM 1147 CG GLU A 75 -9.201 -9.899 -3.825 1.00 1.56 C ATOM 1148 CD GLU A 75 -10.017 -11.069 -4.378 1.00 2.27 C ATOM 1149 OE1 GLU A 75 -9.738 -11.486 -5.490 1.00 2.78 O ATOM 1150 OE2 GLU A 75 -10.907 -11.527 -3.680 1.00 2.91 O ATOM 0 H GLU A 75 -6.367 -8.196 -3.073 1.00 0.39 H new ATOM 0 HA GLU A 75 -7.490 -10.797 -2.166 1.00 0.50 H new ATOM 0 HB2 GLU A 75 -7.368 -9.228 -4.752 1.00 1.09 H new ATOM 0 HB3 GLU A 75 -7.608 -10.962 -4.827 1.00 1.09 H new ATOM 0 HG2 GLU A 75 -9.316 -9.841 -2.743 1.00 1.56 H new ATOM 0 HG3 GLU A 75 -9.569 -8.959 -4.235 1.00 1.56 H new ATOM 1157 N ASP A 76 -5.191 -11.869 -2.311 1.00 0.75 N ATOM 1158 CA ASP A 76 -3.957 -12.669 -2.556 1.00 1.26 C ATOM 1159 C ASP A 76 -3.986 -13.236 -3.977 1.00 1.89 C ATOM 1160 O ASP A 76 -5.067 -13.554 -4.445 1.00 2.46 O ATOM 1161 CB ASP A 76 -3.889 -13.819 -1.549 1.00 1.78 C ATOM 1162 CG ASP A 76 -2.460 -14.362 -1.487 1.00 2.42 C ATOM 1163 OD1 ASP A 76 -2.113 -15.161 -2.342 1.00 3.03 O ATOM 1164 OD2 ASP A 76 -1.738 -13.971 -0.585 1.00 2.99 O ATOM 1165 OXT ASP A 76 -2.927 -13.343 -4.572 1.00 2.52 O ATOM 0 H ASP A 76 -5.633 -12.021 -1.405 1.00 0.75 H new ATOM 0 HA ASP A 76 -3.082 -12.030 -2.440 1.00 1.26 H new ATOM 0 HB2 ASP A 76 -4.200 -13.472 -0.564 1.00 1.78 H new ATOM 0 HB3 ASP A 76 -4.578 -14.612 -1.840 1.00 1.78 H new TER 1170 ASP A 76 END