USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 335 hydrogens (0 hets) HEADER RIBOSOME 19-NOV-99 1DFE TITLE NMR STRUCTURE OF RIBOSOMAL PROTEIN L36 FROM THERMUS TITLE 2 THERMOPHILUS COMPND MOL_ID: 1; COMPND 2 MOLECULE: L36 RIBOSOMAL PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; SOURCE 3 ORGANISM_TAXID: 274; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS ANTI-PARALLEL BETA SHEET, ZINC BINDING, RIBOSOME EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR T.HARD,A.RAK,P.ALLARD,L.KLOO,M.GARBER REVDAT 4 24-FEB-09 1DFE 1 VERSN REVDAT 3 16-FEB-00 1DFE 1 JRNL REMARK REVDAT 2 08-DEC-99 1DFE 1 REMARK REVDAT 1 01-DEC-99 1DFE 0 JRNL AUTH T.HARD,A.RAK,P.ALLARD,L.KLOO,M.GARBER JRNL TITL THE SOLUTION STRUCTURE OF RIBOSOMAL PROTEIN L36 JRNL TITL 2 FROM THERMUS THERMOPHILUS REVEALS A JRNL TITL 3 ZINC-RIBBON-LIKE FOLD. JRNL REF J.MOL.BIOL. V. 296 169 2000 JRNL REFN ISSN 0022-2836 JRNL PMID 10656825 JRNL DOI 10.1006/JMBI.1999.3433 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : NULL REMARK 3 AUTHORS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1DFE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 22-NOV-99. REMARK 100 THE RCSB ID CODE IS RCSB010039. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ILE A 10 -60.60 -109.32 REMARK 500 CYS A 11 -167.60 -109.03 REMARK 500 ARG A 19 -157.07 -130.50 REMARK 500 HIS A 20 83.15 -47.66 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 38 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 11 SG REMARK 620 2 CYS A 14 SG 107.4 REMARK 620 3 CYS A 27 SG 108.1 111.3 REMARK 620 4 HIS A 32 ND1 109.1 110.1 110.8 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 38 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1DGZ RELATED DB: PDB REMARK 900 ENSEMBLE OF STRUCTURES DBREF 1DFE A 1 37 UNP P80256 RL36_THETH 1 37 SEQRES 1 A 37 MET LYS VAL ARG ALA SER VAL LYS ARG ILE CYS ASP LYS SEQRES 2 A 37 CYS LYS VAL ILE ARG ARG HIS GLY ARG VAL TYR VAL ILE SEQRES 3 A 37 CYS GLU ASN PRO LYS HIS LYS GLN ARG GLN GLY HET ZN A 38 1 HETNAM ZN ZINC ION FORMUL 2 ZN ZN 2+ HELIX 1 1 ASN A 29 LYS A 33 5 5 SHEET 1 A 3 LYS A 15 ARG A 18 0 SHEET 2 A 3 VAL A 23 ILE A 26 -1 O TYR A 24 N ILE A 17 SHEET 3 A 3 GLN A 34 GLN A 36 -1 O GLN A 34 N VAL A 25 LINK ZN ZN A 38 SG CYS A 11 1555 1555 2.30 LINK ZN ZN A 38 SG CYS A 14 1555 1555 2.30 LINK ZN ZN A 38 SG CYS A 27 1555 1555 2.31 LINK ZN ZN A 38 ND1 HIS A 32 1555 1555 2.01 SITE *** AC1 4 CYS A 11 CYS A 14 CYS A 27 HIS A 32 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 38 ZNZN :(H bumps) USER MOD Single : A 1 MET CE :methyl -140:sc= -2.82 (180deg=-7.7!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0998 X(o=-0.1,f=-0.033) USER MOD Single : A 24 TYR OH : rot 30:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.467 K(o=-0.47,f=-5.6!) USER MOD Single : A 31 LYS NZ :NH3+ 162:sc=-0.00415 (180deg=-0.343) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc= -0.2 K(o=-0.2,f=-0.82) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 34.041 10.212 11.640 1.00 8.52 N ATOM 2 CA MET A 1 34.064 10.424 10.164 1.00 7.53 C ATOM 3 C MET A 1 32.669 10.189 9.575 1.00 7.12 C ATOM 4 O MET A 1 32.097 9.127 9.725 1.00 7.06 O ATOM 5 CB MET A 1 35.056 9.387 9.629 1.00 6.82 C ATOM 6 CG MET A 1 35.322 9.649 8.144 1.00 6.30 C ATOM 7 SD MET A 1 36.554 8.470 7.535 1.00 5.68 S ATOM 8 CE MET A 1 35.398 7.207 6.949 1.00 4.65 C ATOM 0 H1 MET A 1 34.992 10.374 12.029 1.00 8.52 H new ATOM 0 H2 MET A 1 33.371 10.877 12.076 1.00 8.52 H new ATOM 0 H3 MET A 1 33.744 9.237 11.846 1.00 8.52 H new ATOM 0 HA MET A 1 34.354 11.440 9.897 1.00 7.53 H new ATOM 0 HB2 MET A 1 35.989 9.438 10.190 1.00 6.82 H new ATOM 0 HB3 MET A 1 34.656 8.382 9.765 1.00 6.82 H new ATOM 0 HG2 MET A 1 34.397 9.552 7.575 1.00 6.30 H new ATOM 0 HG3 MET A 1 35.678 10.669 8.002 1.00 6.30 H new ATOM 0 HE1 MET A 1 35.787 6.218 7.191 1.00 4.65 H new ATOM 0 HE2 MET A 1 34.432 7.345 7.434 1.00 4.65 H new ATOM 0 HE3 MET A 1 35.279 7.296 5.869 1.00 4.65 H new ATOM 20 N LYS A 2 32.124 11.171 8.905 1.00 7.03 N ATOM 21 CA LYS A 2 30.767 11.010 8.300 1.00 6.72 C ATOM 22 C LYS A 2 30.677 11.810 7.000 1.00 5.84 C ATOM 23 O LYS A 2 31.106 12.945 6.927 1.00 6.13 O ATOM 24 CB LYS A 2 29.792 11.570 9.336 1.00 7.60 C ATOM 25 CG LYS A 2 28.387 11.010 9.082 1.00 8.35 C ATOM 26 CD LYS A 2 27.340 12.083 9.399 1.00 9.09 C ATOM 27 CE LYS A 2 27.117 12.966 8.167 1.00 9.80 C ATOM 28 NZ LYS A 2 26.307 14.117 8.658 1.00 10.57 N ATOM 0 H LYS A 2 32.561 12.080 8.750 1.00 7.03 H new ATOM 0 HA LYS A 2 30.547 9.970 8.058 1.00 6.72 H new ATOM 0 HB2 LYS A 2 30.123 11.306 10.340 1.00 7.60 H new ATOM 0 HB3 LYS A 2 29.775 12.659 9.282 1.00 7.60 H new ATOM 0 HG2 LYS A 2 28.294 10.692 8.044 1.00 8.35 H new ATOM 0 HG3 LYS A 2 28.218 10.129 9.701 1.00 8.35 H new ATOM 0 HD2 LYS A 2 26.402 11.613 9.696 1.00 9.09 H new ATOM 0 HD3 LYS A 2 27.672 12.692 10.240 1.00 9.09 H new ATOM 0 HE2 LYS A 2 28.064 13.302 7.745 1.00 9.80 H new ATOM 0 HE3 LYS A 2 26.593 12.422 7.381 1.00 9.80 H new ATOM 0 HZ1 LYS A 2 26.114 14.767 7.869 1.00 10.57 H new ATOM 0 HZ2 LYS A 2 25.408 13.768 9.047 1.00 10.57 H new ATOM 0 HZ3 LYS A 2 26.833 14.620 9.400 1.00 10.57 H new ATOM 42 N VAL A 3 30.122 11.220 5.978 1.00 5.01 N ATOM 43 CA VAL A 3 29.994 11.927 4.667 1.00 4.31 C ATOM 44 C VAL A 3 28.648 11.589 4.021 1.00 3.99 C ATOM 45 O VAL A 3 28.032 10.589 4.338 1.00 4.40 O ATOM 46 CB VAL A 3 31.147 11.389 3.813 1.00 3.80 C ATOM 47 CG1 VAL A 3 31.146 12.079 2.445 1.00 3.71 C ATOM 48 CG2 VAL A 3 32.480 11.658 4.519 1.00 4.14 C ATOM 0 H VAL A 3 29.748 10.271 5.992 1.00 5.01 H new ATOM 0 HA VAL A 3 30.037 13.011 4.773 1.00 4.31 H new ATOM 0 HB VAL A 3 31.019 10.315 3.675 1.00 3.80 H new ATOM 0 HG11 VAL A 3 31.968 11.693 1.842 1.00 3.71 H new ATOM 0 HG12 VAL A 3 30.201 11.882 1.939 1.00 3.71 H new ATOM 0 HG13 VAL A 3 31.269 13.154 2.579 1.00 3.71 H new ATOM 0 HG21 VAL A 3 33.298 11.274 3.910 1.00 4.14 H new ATOM 0 HG22 VAL A 3 32.606 12.731 4.662 1.00 4.14 H new ATOM 0 HG23 VAL A 3 32.485 11.160 5.489 1.00 4.14 H new ATOM 58 N ARG A 4 28.191 12.410 3.110 1.00 3.59 N ATOM 59 CA ARG A 4 26.890 12.131 2.433 1.00 3.40 C ATOM 60 C ARG A 4 27.073 11.020 1.394 1.00 2.50 C ATOM 61 O ARG A 4 26.778 11.192 0.226 1.00 2.68 O ATOM 62 CB ARG A 4 26.499 13.447 1.755 1.00 4.01 C ATOM 63 CG ARG A 4 25.016 13.399 1.368 1.00 4.67 C ATOM 64 CD ARG A 4 24.441 14.817 1.354 1.00 5.14 C ATOM 65 NE ARG A 4 24.968 15.434 0.102 1.00 5.77 N ATOM 66 CZ ARG A 4 24.510 16.589 -0.308 1.00 6.43 C ATOM 67 NH1 ARG A 4 23.597 17.218 0.383 1.00 6.64 N ATOM 68 NH2 ARG A 4 24.968 17.115 -1.411 1.00 7.15 N ATOM 0 H ARG A 4 28.663 13.262 2.806 1.00 3.59 H new ATOM 0 HA ARG A 4 26.122 11.796 3.130 1.00 3.40 H new ATOM 0 HB2 ARG A 4 26.684 14.284 2.428 1.00 4.01 H new ATOM 0 HB3 ARG A 4 27.113 13.609 0.869 1.00 4.01 H new ATOM 0 HG2 ARG A 4 24.901 12.940 0.386 1.00 4.67 H new ATOM 0 HG3 ARG A 4 24.465 12.780 2.076 1.00 4.67 H new ATOM 0 HD2 ARG A 4 23.351 14.801 1.358 1.00 5.14 H new ATOM 0 HD3 ARG A 4 24.755 15.379 2.234 1.00 5.14 H new ATOM 0 HE ARG A 4 25.689 14.953 -0.437 1.00 5.77 H new ATOM 0 HH11 ARG A 4 23.238 16.809 1.246 1.00 6.64 H new ATOM 0 HH12 ARG A 4 23.243 18.118 0.060 1.00 6.64 H new ATOM 0 HH21 ARG A 4 25.681 16.626 -1.951 1.00 7.15 H new ATOM 0 HH22 ARG A 4 24.612 18.015 -1.733 1.00 7.15 H new ATOM 82 N ALA A 5 27.566 9.885 1.814 1.00 2.11 N ATOM 83 CA ALA A 5 27.782 8.757 0.861 1.00 1.80 C ATOM 84 C ALA A 5 27.195 7.463 1.430 1.00 1.68 C ATOM 85 O ALA A 5 27.415 7.123 2.576 1.00 2.03 O ATOM 86 CB ALA A 5 29.302 8.640 0.728 1.00 2.59 C ATOM 0 H ALA A 5 27.829 9.690 2.780 1.00 2.11 H new ATOM 0 HA ALA A 5 27.298 8.930 -0.100 1.00 1.80 H new ATOM 0 HB1 ALA A 5 29.546 7.829 0.041 1.00 2.59 H new ATOM 0 HB2 ALA A 5 29.707 9.576 0.343 1.00 2.59 H new ATOM 0 HB3 ALA A 5 29.738 8.431 1.705 1.00 2.59 H new ATOM 92 N SER A 6 26.461 6.735 0.629 1.00 1.58 N ATOM 93 CA SER A 6 25.864 5.454 1.104 1.00 1.76 C ATOM 94 C SER A 6 26.368 4.317 0.217 1.00 1.29 C ATOM 95 O SER A 6 25.620 3.720 -0.535 1.00 1.47 O ATOM 96 CB SER A 6 24.352 5.638 0.956 1.00 2.48 C ATOM 97 OG SER A 6 23.969 6.881 1.532 1.00 2.87 O ATOM 0 H SER A 6 26.249 6.975 -0.339 1.00 1.58 H new ATOM 0 HA SER A 6 26.130 5.211 2.133 1.00 1.76 H new ATOM 0 HB2 SER A 6 24.073 5.611 -0.097 1.00 2.48 H new ATOM 0 HB3 SER A 6 23.825 4.820 1.447 1.00 2.48 H new ATOM 0 HG SER A 6 23.001 7.001 1.437 1.00 2.87 H new ATOM 103 N VAL A 7 27.643 4.033 0.286 1.00 0.92 N ATOM 104 CA VAL A 7 28.224 2.953 -0.563 1.00 0.56 C ATOM 105 C VAL A 7 27.370 1.687 -0.505 1.00 0.56 C ATOM 106 O VAL A 7 27.261 1.032 0.513 1.00 1.25 O ATOM 107 CB VAL A 7 29.620 2.687 0.000 1.00 0.74 C ATOM 108 CG1 VAL A 7 30.458 3.964 -0.081 1.00 1.77 C ATOM 109 CG2 VAL A 7 29.522 2.215 1.459 1.00 1.08 C ATOM 0 H VAL A 7 28.309 4.506 0.897 1.00 0.92 H new ATOM 0 HA VAL A 7 28.262 3.252 -1.611 1.00 0.56 H new ATOM 0 HB VAL A 7 30.099 1.905 -0.589 1.00 0.74 H new ATOM 0 HG11 VAL A 7 31.453 3.772 0.321 1.00 1.77 H new ATOM 0 HG12 VAL A 7 30.541 4.279 -1.121 1.00 1.77 H new ATOM 0 HG13 VAL A 7 29.978 4.752 0.499 1.00 1.77 H new ATOM 0 HG21 VAL A 7 30.523 2.029 1.849 1.00 1.08 H new ATOM 0 HG22 VAL A 7 29.036 2.985 2.059 1.00 1.08 H new ATOM 0 HG23 VAL A 7 28.938 1.296 1.506 1.00 1.08 H new ATOM 119 N LYS A 8 26.775 1.343 -1.606 1.00 0.58 N ATOM 120 CA LYS A 8 25.932 0.114 -1.661 1.00 0.54 C ATOM 121 C LYS A 8 26.548 -0.870 -2.654 1.00 0.45 C ATOM 122 O LYS A 8 27.219 -0.474 -3.588 1.00 0.51 O ATOM 123 CB LYS A 8 24.552 0.583 -2.138 1.00 0.69 C ATOM 124 CG LYS A 8 24.683 1.379 -3.442 1.00 1.13 C ATOM 125 CD LYS A 8 23.288 1.710 -3.980 1.00 1.60 C ATOM 126 CE LYS A 8 23.412 2.575 -5.237 1.00 2.18 C ATOM 127 NZ LYS A 8 22.010 2.798 -5.692 1.00 2.45 N ATOM 0 H LYS A 8 26.834 1.863 -2.482 1.00 0.58 H new ATOM 0 HA LYS A 8 25.860 -0.392 -0.698 1.00 0.54 H new ATOM 0 HB2 LYS A 8 23.901 -0.278 -2.293 1.00 0.69 H new ATOM 0 HB3 LYS A 8 24.085 1.202 -1.371 1.00 0.69 H new ATOM 0 HG2 LYS A 8 25.244 2.297 -3.266 1.00 1.13 H new ATOM 0 HG3 LYS A 8 25.241 0.801 -4.179 1.00 1.13 H new ATOM 0 HD2 LYS A 8 22.749 0.791 -4.211 1.00 1.60 H new ATOM 0 HD3 LYS A 8 22.710 2.236 -3.220 1.00 1.60 H new ATOM 0 HE2 LYS A 8 23.911 3.519 -5.019 1.00 2.18 H new ATOM 0 HE3 LYS A 8 24.001 2.073 -6.005 1.00 2.18 H new ATOM 0 HZ1 LYS A 8 22.013 3.384 -6.551 1.00 2.45 H new ATOM 0 HZ2 LYS A 8 21.562 1.882 -5.899 1.00 2.45 H new ATOM 0 HZ3 LYS A 8 21.475 3.283 -4.944 1.00 2.45 H new ATOM 141 N ARG A 9 26.339 -2.147 -2.465 1.00 0.49 N ATOM 142 CA ARG A 9 26.933 -3.132 -3.415 1.00 0.47 C ATOM 143 C ARG A 9 26.432 -2.840 -4.830 1.00 0.44 C ATOM 144 O ARG A 9 25.329 -2.368 -5.025 1.00 0.59 O ATOM 145 CB ARG A 9 26.459 -4.516 -2.963 1.00 0.62 C ATOM 146 CG ARG A 9 26.512 -4.632 -1.432 1.00 0.98 C ATOM 147 CD ARG A 9 25.095 -4.809 -0.877 1.00 1.16 C ATOM 148 NE ARG A 9 24.637 -6.129 -1.400 1.00 1.49 N ATOM 149 CZ ARG A 9 23.456 -6.591 -1.082 1.00 1.93 C ATOM 150 NH1 ARG A 9 22.667 -5.900 -0.303 1.00 2.27 N ATOM 151 NH2 ARG A 9 23.064 -7.747 -1.545 1.00 2.71 N ATOM 0 H ARG A 9 25.790 -2.546 -1.704 1.00 0.49 H new ATOM 0 HA ARG A 9 28.022 -3.077 -3.422 1.00 0.47 H new ATOM 0 HB2 ARG A 9 25.441 -4.689 -3.311 1.00 0.62 H new ATOM 0 HB3 ARG A 9 27.085 -5.286 -3.413 1.00 0.62 H new ATOM 0 HG2 ARG A 9 27.134 -5.479 -1.143 1.00 0.98 H new ATOM 0 HG3 ARG A 9 26.971 -3.740 -1.006 1.00 0.98 H new ATOM 0 HD2 ARG A 9 25.093 -4.794 0.213 1.00 1.16 H new ATOM 0 HD3 ARG A 9 24.438 -4.004 -1.208 1.00 1.16 H new ATOM 0 HE ARG A 9 25.248 -6.674 -2.009 1.00 1.49 H new ATOM 0 HH11 ARG A 9 22.972 -4.997 0.059 1.00 2.27 H new ATOM 0 HH12 ARG A 9 21.746 -6.264 -0.057 1.00 2.27 H new ATOM 0 HH21 ARG A 9 23.679 -8.288 -2.153 1.00 2.71 H new ATOM 0 HH22 ARG A 9 22.143 -8.109 -1.298 1.00 2.71 H new ATOM 165 N ILE A 10 27.239 -3.113 -5.813 1.00 0.43 N ATOM 166 CA ILE A 10 26.833 -2.853 -7.221 1.00 0.43 C ATOM 167 C ILE A 10 26.588 -4.174 -7.951 1.00 0.46 C ATOM 168 O ILE A 10 25.497 -4.440 -8.416 1.00 0.75 O ATOM 169 CB ILE A 10 28.012 -2.097 -7.823 1.00 0.42 C ATOM 170 CG1 ILE A 10 28.063 -0.701 -7.198 1.00 0.50 C ATOM 171 CG2 ILE A 10 27.831 -1.983 -9.339 1.00 0.48 C ATOM 172 CD1 ILE A 10 29.270 0.061 -7.736 1.00 0.67 C ATOM 0 H ILE A 10 28.172 -3.509 -5.701 1.00 0.43 H new ATOM 0 HA ILE A 10 25.906 -2.285 -7.298 1.00 0.43 H new ATOM 0 HB ILE A 10 28.942 -2.629 -7.621 1.00 0.42 H new ATOM 0 HG12 ILE A 10 27.146 -0.157 -7.426 1.00 0.50 H new ATOM 0 HG13 ILE A 10 28.125 -0.780 -6.113 1.00 0.50 H new ATOM 0 HG21 ILE A 10 28.675 -1.442 -9.767 1.00 0.48 H new ATOM 0 HG22 ILE A 10 27.781 -2.981 -9.775 1.00 0.48 H new ATOM 0 HG23 ILE A 10 26.908 -1.445 -9.556 1.00 0.48 H new ATOM 0 HD11 ILE A 10 29.302 1.054 -7.288 1.00 0.67 H new ATOM 0 HD12 ILE A 10 30.183 -0.480 -7.486 1.00 0.67 H new ATOM 0 HD13 ILE A 10 29.189 0.154 -8.819 1.00 0.67 H new ATOM 184 N CYS A 11 27.593 -5.007 -8.050 1.00 0.43 N ATOM 185 CA CYS A 11 27.409 -6.314 -8.745 1.00 0.46 C ATOM 186 C CYS A 11 27.431 -7.461 -7.732 1.00 0.50 C ATOM 187 O CYS A 11 27.336 -7.251 -6.538 1.00 0.80 O ATOM 188 CB CYS A 11 28.566 -6.423 -9.746 1.00 0.52 C ATOM 189 SG CYS A 11 30.062 -7.047 -8.937 1.00 0.61 S ATOM 0 H CYS A 11 28.529 -4.838 -7.681 1.00 0.43 H new ATOM 0 HA CYS A 11 26.448 -6.374 -9.257 1.00 0.46 H new ATOM 0 HB2 CYS A 11 28.285 -7.088 -10.562 1.00 0.52 H new ATOM 0 HB3 CYS A 11 28.766 -5.446 -10.185 1.00 0.52 H new ATOM 194 N ASP A 12 27.531 -8.669 -8.205 1.00 0.46 N ATOM 195 CA ASP A 12 27.526 -9.851 -7.286 1.00 0.52 C ATOM 196 C ASP A 12 28.917 -10.120 -6.703 1.00 0.46 C ATOM 197 O ASP A 12 29.215 -11.225 -6.291 1.00 0.81 O ATOM 198 CB ASP A 12 27.096 -11.022 -8.168 1.00 0.71 C ATOM 199 CG ASP A 12 25.946 -10.588 -9.083 1.00 1.48 C ATOM 200 OD1 ASP A 12 26.230 -10.110 -10.170 1.00 2.07 O ATOM 201 OD2 ASP A 12 24.805 -10.736 -8.679 1.00 2.22 O ATOM 0 H ASP A 12 27.617 -8.896 -9.196 1.00 0.46 H new ATOM 0 HA ASP A 12 26.864 -9.691 -6.435 1.00 0.52 H new ATOM 0 HB2 ASP A 12 27.939 -11.367 -8.767 1.00 0.71 H new ATOM 0 HB3 ASP A 12 26.782 -11.861 -7.547 1.00 0.71 H new ATOM 206 N LYS A 13 29.773 -9.136 -6.668 1.00 0.41 N ATOM 207 CA LYS A 13 31.143 -9.365 -6.114 1.00 0.54 C ATOM 208 C LYS A 13 31.499 -8.335 -5.034 1.00 0.45 C ATOM 209 O LYS A 13 32.453 -8.516 -4.302 1.00 0.56 O ATOM 210 CB LYS A 13 32.085 -9.231 -7.315 1.00 0.82 C ATOM 211 CG LYS A 13 32.207 -10.584 -8.027 1.00 1.09 C ATOM 212 CD LYS A 13 31.641 -10.478 -9.447 1.00 1.56 C ATOM 213 CE LYS A 13 32.025 -11.730 -10.244 1.00 1.95 C ATOM 214 NZ LYS A 13 31.246 -11.637 -11.511 1.00 2.71 N ATOM 0 H LYS A 13 29.588 -8.188 -6.996 1.00 0.41 H new ATOM 0 HA LYS A 13 31.217 -10.340 -5.632 1.00 0.54 H new ATOM 0 HB2 LYS A 13 31.705 -8.478 -8.006 1.00 0.82 H new ATOM 0 HB3 LYS A 13 33.067 -8.893 -6.984 1.00 0.82 H new ATOM 0 HG2 LYS A 13 33.252 -10.892 -8.065 1.00 1.09 H new ATOM 0 HG3 LYS A 13 31.669 -11.349 -7.468 1.00 1.09 H new ATOM 0 HD2 LYS A 13 30.556 -10.375 -9.411 1.00 1.56 H new ATOM 0 HD3 LYS A 13 32.030 -9.587 -9.940 1.00 1.56 H new ATOM 0 HE2 LYS A 13 33.097 -11.759 -10.441 1.00 1.95 H new ATOM 0 HE3 LYS A 13 31.778 -12.638 -9.695 1.00 1.95 H new ATOM 0 HZ1 LYS A 13 31.457 -12.461 -12.109 1.00 2.71 H new ATOM 0 HZ2 LYS A 13 30.229 -11.619 -11.293 1.00 2.71 H new ATOM 0 HZ3 LYS A 13 31.507 -10.766 -12.016 1.00 2.71 H new ATOM 228 N CYS A 14 30.761 -7.259 -4.916 1.00 0.39 N ATOM 229 CA CYS A 14 31.110 -6.253 -3.864 1.00 0.41 C ATOM 230 C CYS A 14 30.577 -6.692 -2.501 1.00 0.37 C ATOM 231 O CYS A 14 29.545 -7.327 -2.397 1.00 0.59 O ATOM 232 CB CYS A 14 30.474 -4.916 -4.276 1.00 0.65 C ATOM 233 SG CYS A 14 29.563 -5.086 -5.827 1.00 0.65 S ATOM 0 H CYS A 14 29.948 -7.035 -5.490 1.00 0.39 H new ATOM 0 HA CYS A 14 32.192 -6.156 -3.778 1.00 0.41 H new ATOM 0 HB2 CYS A 14 29.801 -4.571 -3.491 1.00 0.65 H new ATOM 0 HB3 CYS A 14 31.250 -4.158 -4.386 1.00 0.65 H new ATOM 238 N LYS A 15 31.278 -6.343 -1.456 1.00 0.35 N ATOM 239 CA LYS A 15 30.836 -6.714 -0.082 1.00 0.45 C ATOM 240 C LYS A 15 30.944 -5.494 0.834 1.00 0.40 C ATOM 241 O LYS A 15 31.975 -4.850 0.902 1.00 0.43 O ATOM 242 CB LYS A 15 31.805 -7.810 0.369 1.00 0.63 C ATOM 243 CG LYS A 15 31.493 -9.116 -0.369 1.00 1.13 C ATOM 244 CD LYS A 15 32.319 -10.256 0.235 1.00 1.60 C ATOM 245 CE LYS A 15 31.919 -11.582 -0.419 1.00 2.24 C ATOM 246 NZ LYS A 15 32.665 -12.626 0.339 1.00 2.71 N ATOM 0 H LYS A 15 32.147 -5.811 -1.497 1.00 0.35 H new ATOM 0 HA LYS A 15 29.801 -7.056 -0.053 1.00 0.45 H new ATOM 0 HB2 LYS A 15 32.832 -7.505 0.168 1.00 0.63 H new ATOM 0 HB3 LYS A 15 31.722 -7.961 1.445 1.00 0.63 H new ATOM 0 HG2 LYS A 15 30.430 -9.344 -0.293 1.00 1.13 H new ATOM 0 HG3 LYS A 15 31.721 -9.010 -1.430 1.00 1.13 H new ATOM 0 HD2 LYS A 15 33.382 -10.069 0.082 1.00 1.60 H new ATOM 0 HD3 LYS A 15 32.156 -10.306 1.312 1.00 1.60 H new ATOM 0 HE2 LYS A 15 30.843 -11.743 -0.358 1.00 2.24 H new ATOM 0 HE3 LYS A 15 32.184 -11.597 -1.476 1.00 2.24 H new ATOM 0 HZ1 LYS A 15 32.442 -13.564 -0.051 1.00 2.71 H new ATOM 0 HZ2 LYS A 15 33.687 -12.451 0.257 1.00 2.71 H new ATOM 0 HZ3 LYS A 15 32.387 -12.593 1.341 1.00 2.71 H new ATOM 260 N VAL A 16 29.889 -5.171 1.534 1.00 0.40 N ATOM 261 CA VAL A 16 29.928 -3.994 2.448 1.00 0.37 C ATOM 262 C VAL A 16 30.543 -4.406 3.794 1.00 0.39 C ATOM 263 O VAL A 16 30.002 -5.228 4.510 1.00 0.51 O ATOM 264 CB VAL A 16 28.462 -3.563 2.601 1.00 0.40 C ATOM 265 CG1 VAL A 16 28.282 -2.768 3.897 1.00 0.42 C ATOM 266 CG2 VAL A 16 28.065 -2.683 1.406 1.00 0.46 C ATOM 0 H VAL A 16 29.001 -5.673 1.512 1.00 0.40 H new ATOM 0 HA VAL A 16 30.539 -3.176 2.066 1.00 0.37 H new ATOM 0 HB VAL A 16 27.829 -4.450 2.635 1.00 0.40 H new ATOM 0 HG11 VAL A 16 27.239 -2.467 3.997 1.00 0.42 H new ATOM 0 HG12 VAL A 16 28.563 -3.390 4.747 1.00 0.42 H new ATOM 0 HG13 VAL A 16 28.915 -1.881 3.871 1.00 0.42 H new ATOM 0 HG21 VAL A 16 27.025 -2.375 1.511 1.00 0.46 H new ATOM 0 HG22 VAL A 16 28.704 -1.800 1.376 1.00 0.46 H new ATOM 0 HG23 VAL A 16 28.185 -3.249 0.482 1.00 0.46 H new ATOM 276 N ILE A 17 31.678 -3.847 4.131 1.00 0.34 N ATOM 277 CA ILE A 17 32.350 -4.205 5.418 1.00 0.38 C ATOM 278 C ILE A 17 31.887 -3.269 6.534 1.00 0.24 C ATOM 279 O ILE A 17 31.372 -2.200 6.283 1.00 0.34 O ATOM 280 CB ILE A 17 33.856 -4.010 5.176 1.00 0.54 C ATOM 281 CG1 ILE A 17 34.220 -4.321 3.715 1.00 0.71 C ATOM 282 CG2 ILE A 17 34.648 -4.936 6.103 1.00 0.89 C ATOM 283 CD1 ILE A 17 33.676 -5.691 3.315 1.00 1.15 C ATOM 0 H ILE A 17 32.171 -3.154 3.567 1.00 0.34 H new ATOM 0 HA ILE A 17 32.113 -5.226 5.718 1.00 0.38 H new ATOM 0 HB ILE A 17 34.107 -2.970 5.385 1.00 0.54 H new ATOM 0 HG12 ILE A 17 33.810 -3.553 3.059 1.00 0.71 H new ATOM 0 HG13 ILE A 17 35.303 -4.301 3.590 1.00 0.71 H new ATOM 0 HG21 ILE A 17 35.715 -4.797 5.931 1.00 0.89 H new ATOM 0 HG22 ILE A 17 34.414 -4.699 7.141 1.00 0.89 H new ATOM 0 HG23 ILE A 17 34.379 -5.972 5.898 1.00 0.89 H new ATOM 0 HD11 ILE A 17 33.941 -5.899 2.278 1.00 1.15 H new ATOM 0 HD12 ILE A 17 34.107 -6.456 3.960 1.00 1.15 H new ATOM 0 HD13 ILE A 17 32.591 -5.697 3.421 1.00 1.15 H new ATOM 295 N ARG A 18 32.082 -3.663 7.765 1.00 0.33 N ATOM 296 CA ARG A 18 31.671 -2.799 8.911 1.00 0.30 C ATOM 297 C ARG A 18 32.846 -2.634 9.878 1.00 0.33 C ATOM 298 O ARG A 18 33.364 -3.599 10.407 1.00 0.43 O ATOM 299 CB ARG A 18 30.518 -3.549 9.585 1.00 0.46 C ATOM 300 CG ARG A 18 29.292 -3.555 8.663 1.00 0.56 C ATOM 301 CD ARG A 18 28.342 -2.417 9.055 1.00 1.04 C ATOM 302 NE ARG A 18 27.369 -3.037 10.000 1.00 1.60 N ATOM 303 CZ ARG A 18 26.306 -2.378 10.379 1.00 2.13 C ATOM 304 NH1 ARG A 18 26.091 -1.167 9.938 1.00 2.39 N ATOM 305 NH2 ARG A 18 25.456 -2.932 11.200 1.00 3.02 N ATOM 0 H ARG A 18 32.511 -4.551 8.027 1.00 0.33 H new ATOM 0 HA ARG A 18 31.369 -1.800 8.595 1.00 0.30 H new ATOM 0 HB2 ARG A 18 30.820 -4.572 9.810 1.00 0.46 H new ATOM 0 HB3 ARG A 18 30.269 -3.074 10.534 1.00 0.46 H new ATOM 0 HG2 ARG A 18 29.605 -3.438 7.625 1.00 0.56 H new ATOM 0 HG3 ARG A 18 28.776 -4.513 8.735 1.00 0.56 H new ATOM 0 HD2 ARG A 18 28.882 -1.596 9.527 1.00 1.04 H new ATOM 0 HD3 ARG A 18 27.837 -2.006 8.181 1.00 1.04 H new ATOM 0 HE ARG A 18 27.534 -3.980 10.352 1.00 1.60 H new ATOM 0 HH11 ARG A 18 26.754 -0.733 9.296 1.00 2.39 H new ATOM 0 HH12 ARG A 18 25.260 -0.656 10.236 1.00 2.39 H new ATOM 0 HH21 ARG A 18 25.622 -3.878 11.545 1.00 3.02 H new ATOM 0 HH22 ARG A 18 24.626 -2.419 11.497 1.00 3.02 H new ATOM 319 N ARG A 19 33.273 -1.421 10.106 1.00 0.36 N ATOM 320 CA ARG A 19 34.419 -1.187 11.034 1.00 0.49 C ATOM 321 C ARG A 19 34.064 -0.097 12.051 1.00 0.54 C ATOM 322 O ARG A 19 32.907 0.154 12.318 1.00 0.58 O ATOM 323 CB ARG A 19 35.573 -0.732 10.133 1.00 0.67 C ATOM 324 CG ARG A 19 36.914 -1.060 10.802 1.00 0.88 C ATOM 325 CD ARG A 19 37.519 -2.316 10.165 1.00 1.38 C ATOM 326 NE ARG A 19 38.386 -2.906 11.224 1.00 1.80 N ATOM 327 CZ ARG A 19 39.181 -3.907 10.944 1.00 2.27 C ATOM 328 NH1 ARG A 19 39.219 -4.397 9.733 1.00 2.65 N ATOM 329 NH2 ARG A 19 39.938 -4.418 11.876 1.00 2.94 N ATOM 0 H ARG A 19 32.877 -0.579 9.689 1.00 0.36 H new ATOM 0 HA ARG A 19 34.677 -2.079 11.605 1.00 0.49 H new ATOM 0 HB2 ARG A 19 35.508 -1.228 9.165 1.00 0.67 H new ATOM 0 HB3 ARG A 19 35.501 0.340 9.947 1.00 0.67 H new ATOM 0 HG2 ARG A 19 37.600 -0.220 10.694 1.00 0.88 H new ATOM 0 HG3 ARG A 19 36.769 -1.217 11.871 1.00 0.88 H new ATOM 0 HD2 ARG A 19 36.742 -3.015 9.856 1.00 1.38 H new ATOM 0 HD3 ARG A 19 38.097 -2.068 9.275 1.00 1.38 H new ATOM 0 HE ARG A 19 38.360 -2.528 12.171 1.00 1.80 H new ATOM 0 HH11 ARG A 19 38.628 -3.999 9.003 1.00 2.65 H new ATOM 0 HH12 ARG A 19 39.840 -5.177 9.518 1.00 2.65 H new ATOM 0 HH21 ARG A 19 39.910 -4.037 12.822 1.00 2.94 H new ATOM 0 HH22 ARG A 19 40.558 -5.198 11.659 1.00 2.94 H new ATOM 343 N HIS A 20 35.060 0.543 12.615 1.00 0.71 N ATOM 344 CA HIS A 20 34.821 1.624 13.627 1.00 0.89 C ATOM 345 C HIS A 20 33.759 2.614 13.137 1.00 0.90 C ATOM 346 O HIS A 20 34.077 3.657 12.597 1.00 1.64 O ATOM 347 CB HIS A 20 36.172 2.326 13.753 1.00 1.04 C ATOM 348 CG HIS A 20 37.139 1.436 14.484 1.00 1.56 C ATOM 349 ND1 HIS A 20 37.213 1.405 15.868 1.00 2.17 N ATOM 350 CD2 HIS A 20 38.078 0.539 14.038 1.00 2.23 C ATOM 351 CE1 HIS A 20 38.167 0.517 16.203 1.00 2.75 C ATOM 352 NE2 HIS A 20 38.726 -0.040 15.126 1.00 2.88 N ATOM 0 H HIS A 20 36.043 0.360 12.415 1.00 0.71 H new ATOM 0 HA HIS A 20 34.457 1.224 14.574 1.00 0.89 H new ATOM 0 HB2 HIS A 20 36.561 2.567 12.764 1.00 1.04 H new ATOM 0 HB3 HIS A 20 36.055 3.269 14.288 1.00 1.04 H new ATOM 0 HD2 HIS A 20 38.283 0.316 13.001 1.00 2.23 H new ATOM 0 HE1 HIS A 20 38.447 0.283 17.220 1.00 2.75 H new ATOM 0 HE2 HIS A 20 39.468 -0.739 15.105 1.00 2.88 H new ATOM 360 N GLY A 21 32.502 2.294 13.315 1.00 0.79 N ATOM 361 CA GLY A 21 31.420 3.211 12.850 1.00 0.73 C ATOM 362 C GLY A 21 31.622 3.518 11.364 1.00 0.58 C ATOM 363 O GLY A 21 30.990 4.398 10.812 1.00 0.68 O ATOM 0 H GLY A 21 32.179 1.436 13.763 1.00 0.79 H new ATOM 0 HA2 GLY A 21 30.445 2.751 13.009 1.00 0.73 H new ATOM 0 HA3 GLY A 21 31.436 4.134 13.429 1.00 0.73 H new ATOM 367 N ARG A 22 32.508 2.802 10.718 1.00 0.45 N ATOM 368 CA ARG A 22 32.770 3.049 9.270 1.00 0.45 C ATOM 369 C ARG A 22 32.358 1.835 8.439 1.00 0.38 C ATOM 370 O ARG A 22 32.213 0.742 8.948 1.00 0.51 O ATOM 371 CB ARG A 22 34.281 3.264 9.174 1.00 0.65 C ATOM 372 CG ARG A 22 34.629 4.695 9.589 1.00 1.30 C ATOM 373 CD ARG A 22 36.046 4.727 10.171 1.00 1.54 C ATOM 374 NE ARG A 22 36.569 6.087 9.854 1.00 1.76 N ATOM 375 CZ ARG A 22 37.686 6.505 10.392 1.00 2.15 C ATOM 376 NH1 ARG A 22 38.345 5.736 11.217 1.00 2.51 N ATOM 377 NH2 ARG A 22 38.142 7.693 10.103 1.00 2.81 N ATOM 0 H ARG A 22 33.063 2.054 11.135 1.00 0.45 H new ATOM 0 HA ARG A 22 32.206 3.901 8.892 1.00 0.45 H new ATOM 0 HB2 ARG A 22 34.800 2.553 9.817 1.00 0.65 H new ATOM 0 HB3 ARG A 22 34.620 3.079 8.155 1.00 0.65 H new ATOM 0 HG2 ARG A 22 34.562 5.361 8.729 1.00 1.30 H new ATOM 0 HG3 ARG A 22 33.913 5.055 10.327 1.00 1.30 H new ATOM 0 HD2 ARG A 22 36.034 4.551 11.247 1.00 1.54 H new ATOM 0 HD3 ARG A 22 36.671 3.952 9.728 1.00 1.54 H new ATOM 0 HE ARG A 22 36.054 6.693 9.216 1.00 1.76 H new ATOM 0 HH11 ARG A 22 37.989 4.807 11.443 1.00 2.51 H new ATOM 0 HH12 ARG A 22 39.216 6.064 11.635 1.00 2.51 H new ATOM 0 HH21 ARG A 22 37.628 8.294 9.459 1.00 2.81 H new ATOM 0 HH22 ARG A 22 39.013 8.021 10.521 1.00 2.81 H new ATOM 391 N VAL A 23 32.179 2.022 7.160 1.00 0.31 N ATOM 392 CA VAL A 23 31.787 0.886 6.277 1.00 0.27 C ATOM 393 C VAL A 23 32.613 0.930 4.995 1.00 0.25 C ATOM 394 O VAL A 23 32.966 1.989 4.513 1.00 0.33 O ATOM 395 CB VAL A 23 30.314 1.113 5.946 1.00 0.32 C ATOM 396 CG1 VAL A 23 29.727 -0.135 5.284 1.00 0.34 C ATOM 397 CG2 VAL A 23 29.528 1.432 7.224 1.00 0.46 C ATOM 0 H VAL A 23 32.288 2.918 6.686 1.00 0.31 H new ATOM 0 HA VAL A 23 31.952 -0.080 6.755 1.00 0.27 H new ATOM 0 HB VAL A 23 30.237 1.955 5.259 1.00 0.32 H new ATOM 0 HG11 VAL A 23 28.676 0.037 5.052 1.00 0.34 H new ATOM 0 HG12 VAL A 23 30.272 -0.349 4.364 1.00 0.34 H new ATOM 0 HG13 VAL A 23 29.815 -0.983 5.964 1.00 0.34 H new ATOM 0 HG21 VAL A 23 28.479 1.592 6.976 1.00 0.46 H new ATOM 0 HG22 VAL A 23 29.613 0.598 7.921 1.00 0.46 H new ATOM 0 HG23 VAL A 23 29.933 2.333 7.685 1.00 0.46 H new ATOM 407 N TYR A 24 32.901 -0.207 4.432 1.00 0.26 N ATOM 408 CA TYR A 24 33.692 -0.239 3.162 1.00 0.33 C ATOM 409 C TYR A 24 32.975 -1.075 2.115 1.00 0.28 C ATOM 410 O TYR A 24 32.152 -1.906 2.427 1.00 0.31 O ATOM 411 CB TYR A 24 35.040 -0.896 3.484 1.00 0.48 C ATOM 412 CG TYR A 24 35.634 -0.330 4.746 1.00 0.47 C ATOM 413 CD1 TYR A 24 35.601 1.045 4.992 1.00 1.30 C ATOM 414 CD2 TYR A 24 36.225 -1.194 5.668 1.00 1.34 C ATOM 415 CE1 TYR A 24 36.158 1.560 6.167 1.00 1.42 C ATOM 416 CE2 TYR A 24 36.784 -0.684 6.846 1.00 1.47 C ATOM 417 CZ TYR A 24 36.750 0.695 7.096 1.00 0.96 C ATOM 418 OH TYR A 24 37.300 1.200 8.255 1.00 1.27 O ATOM 0 H TYR A 24 32.625 -1.120 4.793 1.00 0.26 H new ATOM 0 HA TYR A 24 33.820 0.771 2.772 1.00 0.33 H new ATOM 0 HB2 TYR A 24 34.906 -1.972 3.593 1.00 0.48 H new ATOM 0 HB3 TYR A 24 35.730 -0.743 2.654 1.00 0.48 H new ATOM 0 HD1 TYR A 24 35.145 1.711 4.274 1.00 1.30 H new ATOM 0 HD2 TYR A 24 36.251 -2.256 5.473 1.00 1.34 H new ATOM 0 HE1 TYR A 24 36.132 2.623 6.358 1.00 1.42 H new ATOM 0 HE2 TYR A 24 37.241 -1.352 7.561 1.00 1.47 H new ATOM 0 HH TYR A 24 36.818 2.012 8.519 1.00 1.27 H new ATOM 428 N VAL A 25 33.312 -0.877 0.878 1.00 0.32 N ATOM 429 CA VAL A 25 32.695 -1.675 -0.210 1.00 0.30 C ATOM 430 C VAL A 25 33.812 -2.257 -1.054 1.00 0.29 C ATOM 431 O VAL A 25 34.317 -1.623 -1.961 1.00 0.39 O ATOM 432 CB VAL A 25 31.850 -0.693 -1.017 1.00 0.31 C ATOM 433 CG1 VAL A 25 31.424 -1.344 -2.340 1.00 0.33 C ATOM 434 CG2 VAL A 25 30.612 -0.324 -0.201 1.00 0.33 C ATOM 0 H VAL A 25 33.997 -0.188 0.569 1.00 0.32 H new ATOM 0 HA VAL A 25 32.078 -2.497 0.153 1.00 0.30 H new ATOM 0 HB VAL A 25 32.430 0.204 -1.235 1.00 0.31 H new ATOM 0 HG11 VAL A 25 30.821 -0.641 -2.914 1.00 0.33 H new ATOM 0 HG12 VAL A 25 32.310 -1.615 -2.914 1.00 0.33 H new ATOM 0 HG13 VAL A 25 30.838 -2.239 -2.133 1.00 0.33 H new ATOM 0 HG21 VAL A 25 29.999 0.378 -0.767 1.00 0.33 H new ATOM 0 HG22 VAL A 25 30.033 -1.224 0.009 1.00 0.33 H new ATOM 0 HG23 VAL A 25 30.919 0.137 0.738 1.00 0.33 H new ATOM 444 N ILE A 26 34.220 -3.450 -0.748 1.00 0.31 N ATOM 445 CA ILE A 26 35.323 -4.065 -1.520 1.00 0.31 C ATOM 446 C ILE A 26 34.748 -5.047 -2.543 1.00 0.29 C ATOM 447 O ILE A 26 33.803 -5.762 -2.268 1.00 0.38 O ATOM 448 CB ILE A 26 36.199 -4.765 -0.465 1.00 0.36 C ATOM 449 CG1 ILE A 26 35.518 -6.060 0.002 1.00 0.43 C ATOM 450 CG2 ILE A 26 36.405 -3.829 0.744 1.00 0.55 C ATOM 451 CD1 ILE A 26 36.377 -6.740 1.072 1.00 0.76 C ATOM 0 H ILE A 26 33.838 -4.025 0.003 1.00 0.31 H new ATOM 0 HA ILE A 26 35.908 -3.343 -2.090 1.00 0.31 H new ATOM 0 HB ILE A 26 37.166 -5.005 -0.908 1.00 0.36 H new ATOM 0 HG12 ILE A 26 34.529 -5.838 0.403 1.00 0.43 H new ATOM 0 HG13 ILE A 26 35.375 -6.732 -0.844 1.00 0.43 H new ATOM 0 HG21 ILE A 26 37.025 -4.328 1.489 1.00 0.55 H new ATOM 0 HG22 ILE A 26 36.897 -2.914 0.416 1.00 0.55 H new ATOM 0 HG23 ILE A 26 35.438 -3.584 1.183 1.00 0.55 H new ATOM 0 HD11 ILE A 26 35.890 -7.658 1.400 1.00 0.76 H new ATOM 0 HD12 ILE A 26 37.356 -6.977 0.656 1.00 0.76 H new ATOM 0 HD13 ILE A 26 36.497 -6.069 1.923 1.00 0.76 H new ATOM 463 N CYS A 27 35.294 -5.069 -3.731 1.00 0.29 N ATOM 464 CA CYS A 27 34.762 -5.987 -4.781 1.00 0.32 C ATOM 465 C CYS A 27 35.855 -6.384 -5.769 1.00 0.27 C ATOM 466 O CYS A 27 36.831 -5.681 -5.944 1.00 0.30 O ATOM 467 CB CYS A 27 33.710 -5.166 -5.530 1.00 0.51 C ATOM 468 SG CYS A 27 33.052 -6.166 -6.889 1.00 0.55 S ATOM 0 H CYS A 27 36.084 -4.492 -4.019 1.00 0.29 H new ATOM 0 HA CYS A 27 34.367 -6.901 -4.337 1.00 0.32 H new ATOM 0 HB2 CYS A 27 32.907 -4.873 -4.853 1.00 0.51 H new ATOM 0 HB3 CYS A 27 34.152 -4.248 -5.916 1.00 0.51 H new ATOM 473 N GLU A 28 35.665 -7.480 -6.458 1.00 0.31 N ATOM 474 CA GLU A 28 36.659 -7.895 -7.487 1.00 0.40 C ATOM 475 C GLU A 28 36.756 -6.758 -8.506 1.00 0.42 C ATOM 476 O GLU A 28 37.822 -6.393 -8.962 1.00 0.51 O ATOM 477 CB GLU A 28 36.064 -9.163 -8.113 1.00 0.46 C ATOM 478 CG GLU A 28 36.757 -9.485 -9.444 1.00 0.58 C ATOM 479 CD GLU A 28 35.791 -10.260 -10.346 1.00 1.25 C ATOM 480 OE1 GLU A 28 34.745 -9.718 -10.668 1.00 1.89 O ATOM 481 OE2 GLU A 28 36.111 -11.383 -10.699 1.00 1.97 O ATOM 0 H GLU A 28 34.865 -8.103 -6.351 1.00 0.31 H new ATOM 0 HA GLU A 28 37.659 -8.092 -7.100 1.00 0.40 H new ATOM 0 HB2 GLU A 28 36.177 -10.002 -7.426 1.00 0.46 H new ATOM 0 HB3 GLU A 28 34.995 -9.027 -8.277 1.00 0.46 H new ATOM 0 HG2 GLU A 28 37.071 -8.564 -9.935 1.00 0.58 H new ATOM 0 HG3 GLU A 28 37.657 -10.074 -9.265 1.00 0.58 H new ATOM 488 N ASN A 29 35.629 -6.177 -8.828 1.00 0.38 N ATOM 489 CA ASN A 29 35.598 -5.035 -9.776 1.00 0.46 C ATOM 490 C ASN A 29 36.134 -3.785 -9.067 1.00 0.31 C ATOM 491 O ASN A 29 35.639 -3.420 -8.017 1.00 0.23 O ATOM 492 CB ASN A 29 34.113 -4.868 -10.104 1.00 0.58 C ATOM 493 CG ASN A 29 33.945 -4.148 -11.438 1.00 0.53 C ATOM 494 OD1 ASN A 29 34.687 -3.240 -11.755 1.00 0.68 O ATOM 495 ND2 ASN A 29 32.986 -4.519 -12.236 1.00 0.75 N ATOM 0 H ASN A 29 34.717 -6.454 -8.465 1.00 0.38 H new ATOM 0 HA ASN A 29 36.203 -5.191 -10.669 1.00 0.46 H new ATOM 0 HB2 ASN A 29 33.631 -5.845 -10.146 1.00 0.58 H new ATOM 0 HB3 ASN A 29 33.620 -4.303 -9.313 1.00 0.58 H new ATOM 0 HD21 ASN A 29 32.856 -4.047 -13.131 1.00 0.75 H new ATOM 0 HD22 ASN A 29 32.365 -5.282 -11.967 1.00 0.75 H new ATOM 502 N PRO A 30 37.131 -3.170 -9.649 1.00 0.41 N ATOM 503 CA PRO A 30 37.730 -1.958 -9.034 1.00 0.39 C ATOM 504 C PRO A 30 36.735 -0.795 -9.049 1.00 0.32 C ATOM 505 O PRO A 30 36.808 0.103 -8.239 1.00 0.32 O ATOM 506 CB PRO A 30 38.944 -1.669 -9.918 1.00 0.58 C ATOM 507 CG PRO A 30 38.620 -2.307 -11.229 1.00 0.67 C ATOM 508 CD PRO A 30 37.787 -3.523 -10.916 1.00 0.62 C ATOM 0 HA PRO A 30 38.001 -2.097 -7.987 1.00 0.39 H new ATOM 0 HB2 PRO A 30 39.107 -0.597 -10.029 1.00 0.58 H new ATOM 0 HB3 PRO A 30 39.855 -2.087 -9.489 1.00 0.58 H new ATOM 0 HG2 PRO A 30 38.074 -1.617 -11.872 1.00 0.67 H new ATOM 0 HG3 PRO A 30 39.530 -2.586 -11.761 1.00 0.67 H new ATOM 0 HD2 PRO A 30 37.060 -3.725 -11.702 1.00 0.62 H new ATOM 0 HD3 PRO A 30 38.403 -4.417 -10.814 1.00 0.62 H new ATOM 516 N LYS A 31 35.802 -0.803 -9.958 1.00 0.36 N ATOM 517 CA LYS A 31 34.809 0.310 -10.008 1.00 0.42 C ATOM 518 C LYS A 31 33.891 0.275 -8.780 1.00 0.34 C ATOM 519 O LYS A 31 33.182 1.223 -8.507 1.00 0.40 O ATOM 520 CB LYS A 31 34.000 0.069 -11.287 1.00 0.54 C ATOM 521 CG LYS A 31 34.662 0.793 -12.465 1.00 0.76 C ATOM 522 CD LYS A 31 35.999 0.124 -12.801 1.00 1.19 C ATOM 523 CE LYS A 31 36.466 0.573 -14.190 1.00 1.45 C ATOM 524 NZ LYS A 31 36.767 2.026 -14.048 1.00 2.20 N ATOM 0 H LYS A 31 35.682 -1.527 -10.666 1.00 0.36 H new ATOM 0 HA LYS A 31 35.295 1.286 -10.008 1.00 0.42 H new ATOM 0 HB2 LYS A 31 33.939 -1.000 -11.493 1.00 0.54 H new ATOM 0 HB3 LYS A 31 32.979 0.428 -11.155 1.00 0.54 H new ATOM 0 HG2 LYS A 31 34.005 0.769 -13.334 1.00 0.76 H new ATOM 0 HG3 LYS A 31 34.822 1.842 -12.215 1.00 0.76 H new ATOM 0 HD2 LYS A 31 36.747 0.387 -12.053 1.00 1.19 H new ATOM 0 HD3 LYS A 31 35.891 -0.960 -12.776 1.00 1.19 H new ATOM 0 HE2 LYS A 31 37.348 0.017 -14.508 1.00 1.45 H new ATOM 0 HE3 LYS A 31 35.694 0.402 -14.940 1.00 1.45 H new ATOM 0 HZ1 LYS A 31 37.366 2.335 -14.840 1.00 2.20 H new ATOM 0 HZ2 LYS A 31 35.879 2.567 -14.055 1.00 2.20 H new ATOM 0 HZ3 LYS A 31 37.266 2.191 -13.151 1.00 2.20 H new ATOM 538 N HIS A 32 33.882 -0.811 -8.044 1.00 0.28 N ATOM 539 CA HIS A 32 32.985 -0.890 -6.847 1.00 0.29 C ATOM 540 C HIS A 32 33.782 -0.718 -5.546 1.00 0.29 C ATOM 541 O HIS A 32 33.277 -0.988 -4.476 1.00 0.34 O ATOM 542 CB HIS A 32 32.335 -2.285 -6.905 1.00 0.30 C ATOM 543 CG HIS A 32 31.714 -2.505 -8.260 1.00 0.28 C ATOM 544 ND1 HIS A 32 31.176 -3.725 -8.666 1.00 0.31 N ATOM 545 CD2 HIS A 32 31.578 -1.668 -9.339 1.00 0.33 C ATOM 546 CE1 HIS A 32 30.761 -3.581 -9.939 1.00 0.38 C ATOM 547 NE2 HIS A 32 30.985 -2.349 -10.395 1.00 0.40 N ATOM 0 H HIS A 32 34.451 -1.639 -8.218 1.00 0.28 H new ATOM 0 HA HIS A 32 32.239 -0.095 -6.858 1.00 0.29 H new ATOM 0 HB2 HIS A 32 33.083 -3.053 -6.709 1.00 0.30 H new ATOM 0 HB3 HIS A 32 31.576 -2.375 -6.128 1.00 0.30 H new ATOM 0 HD2 HIS A 32 31.886 -0.633 -9.364 1.00 0.33 H new ATOM 0 HE1 HIS A 32 30.303 -4.368 -10.520 1.00 0.38 H new ATOM 0 HE2 HIS A 32 30.767 -1.984 -11.322 1.00 0.40 H new ATOM 555 N LYS A 33 35.012 -0.264 -5.613 1.00 0.30 N ATOM 556 CA LYS A 33 35.795 -0.080 -4.351 1.00 0.33 C ATOM 557 C LYS A 33 35.406 1.246 -3.680 1.00 0.36 C ATOM 558 O LYS A 33 36.036 2.264 -3.879 1.00 0.58 O ATOM 559 CB LYS A 33 37.276 -0.091 -4.765 1.00 0.39 C ATOM 560 CG LYS A 33 37.553 0.986 -5.823 1.00 0.49 C ATOM 561 CD LYS A 33 38.300 2.163 -5.190 1.00 1.08 C ATOM 562 CE LYS A 33 39.750 2.180 -5.682 1.00 1.33 C ATOM 563 NZ LYS A 33 40.403 3.281 -4.918 1.00 2.01 N ATOM 0 H LYS A 33 35.501 -0.017 -6.473 1.00 0.30 H new ATOM 0 HA LYS A 33 35.594 -0.868 -3.625 1.00 0.33 H new ATOM 0 HB2 LYS A 33 37.904 0.081 -3.891 1.00 0.39 H new ATOM 0 HB3 LYS A 33 37.541 -1.072 -5.160 1.00 0.39 H new ATOM 0 HG2 LYS A 33 38.144 0.565 -6.636 1.00 0.49 H new ATOM 0 HG3 LYS A 33 36.614 1.331 -6.257 1.00 0.49 H new ATOM 0 HD2 LYS A 33 37.807 3.100 -5.449 1.00 1.08 H new ATOM 0 HD3 LYS A 33 38.276 2.079 -4.103 1.00 1.08 H new ATOM 0 HE2 LYS A 33 40.241 1.225 -5.496 1.00 1.33 H new ATOM 0 HE3 LYS A 33 39.801 2.361 -6.756 1.00 1.33 H new ATOM 0 HZ1 LYS A 33 41.401 3.355 -5.200 1.00 2.01 H new ATOM 0 HZ2 LYS A 33 39.918 4.179 -5.120 1.00 2.01 H new ATOM 0 HZ3 LYS A 33 40.346 3.078 -3.900 1.00 2.01 H new ATOM 577 N GLN A 34 34.368 1.243 -2.886 1.00 0.39 N ATOM 578 CA GLN A 34 33.944 2.507 -2.204 1.00 0.43 C ATOM 579 C GLN A 34 34.044 2.343 -0.688 1.00 0.44 C ATOM 580 O GLN A 34 34.401 1.294 -0.190 1.00 0.58 O ATOM 581 CB GLN A 34 32.481 2.748 -2.617 1.00 0.45 C ATOM 582 CG GLN A 34 32.230 2.209 -4.027 1.00 0.51 C ATOM 583 CD GLN A 34 30.952 2.832 -4.591 1.00 0.80 C ATOM 584 OE1 GLN A 34 30.977 3.468 -5.626 1.00 1.30 O ATOM 585 NE2 GLN A 34 29.827 2.676 -3.950 1.00 1.23 N ATOM 0 H GLN A 34 33.796 0.425 -2.679 1.00 0.39 H new ATOM 0 HA GLN A 34 34.579 3.346 -2.487 1.00 0.43 H new ATOM 0 HB2 GLN A 34 31.811 2.259 -1.909 1.00 0.45 H new ATOM 0 HB3 GLN A 34 32.258 3.814 -2.583 1.00 0.45 H new ATOM 0 HG2 GLN A 34 33.077 2.442 -4.673 1.00 0.51 H new ATOM 0 HG3 GLN A 34 32.138 1.123 -4.002 1.00 0.51 H new ATOM 0 HE21 GLN A 34 29.805 2.142 -3.081 1.00 1.23 H new ATOM 0 HE22 GLN A 34 28.969 3.088 -4.318 1.00 1.23 H new ATOM 594 N ARG A 35 33.720 3.371 0.047 1.00 0.46 N ATOM 595 CA ARG A 35 33.777 3.282 1.533 1.00 0.51 C ATOM 596 C ARG A 35 32.936 4.403 2.153 1.00 0.50 C ATOM 597 O ARG A 35 33.144 5.572 1.890 1.00 0.72 O ATOM 598 CB ARG A 35 35.265 3.410 1.902 1.00 0.61 C ATOM 599 CG ARG A 35 35.776 4.826 1.613 1.00 1.40 C ATOM 600 CD ARG A 35 35.700 5.668 2.892 1.00 1.80 C ATOM 601 NE ARG A 35 37.115 6.016 3.218 1.00 1.99 N ATOM 602 CZ ARG A 35 37.417 7.200 3.691 1.00 2.51 C ATOM 603 NH1 ARG A 35 36.486 8.101 3.867 1.00 3.18 N ATOM 604 NH2 ARG A 35 38.657 7.482 3.987 1.00 2.82 N ATOM 0 H ARG A 35 33.417 4.273 -0.320 1.00 0.46 H new ATOM 0 HA ARG A 35 33.369 2.345 1.911 1.00 0.51 H new ATOM 0 HB2 ARG A 35 35.404 3.176 2.958 1.00 0.61 H new ATOM 0 HB3 ARG A 35 35.849 2.685 1.335 1.00 0.61 H new ATOM 0 HG2 ARG A 35 36.804 4.787 1.251 1.00 1.40 H new ATOM 0 HG3 ARG A 35 35.179 5.286 0.826 1.00 1.40 H new ATOM 0 HD2 ARG A 35 35.100 6.565 2.738 1.00 1.80 H new ATOM 0 HD3 ARG A 35 35.235 5.109 3.704 1.00 1.80 H new ATOM 0 HE ARG A 35 37.852 5.327 3.071 1.00 1.99 H new ATOM 0 HH11 ARG A 35 35.516 7.884 3.636 1.00 3.18 H new ATOM 0 HH12 ARG A 35 36.729 9.020 4.236 1.00 3.18 H new ATOM 0 HH21 ARG A 35 39.386 6.782 3.850 1.00 2.82 H new ATOM 0 HH22 ARG A 35 38.897 8.402 4.355 1.00 2.82 H new ATOM 618 N GLN A 36 31.970 4.050 2.958 1.00 0.39 N ATOM 619 CA GLN A 36 31.097 5.088 3.588 1.00 0.45 C ATOM 620 C GLN A 36 31.932 6.035 4.457 1.00 0.72 C ATOM 621 O GLN A 36 32.880 5.627 5.102 1.00 1.00 O ATOM 622 CB GLN A 36 30.106 4.306 4.451 1.00 0.73 C ATOM 623 CG GLN A 36 28.894 5.186 4.773 1.00 0.96 C ATOM 624 CD GLN A 36 28.227 4.688 6.057 1.00 1.46 C ATOM 625 OE1 GLN A 36 27.590 3.653 6.062 1.00 2.18 O ATOM 626 NE2 GLN A 36 28.347 5.385 7.153 1.00 1.83 N ATOM 0 H GLN A 36 31.746 3.087 3.208 1.00 0.39 H new ATOM 0 HA GLN A 36 30.593 5.704 2.843 1.00 0.45 H new ATOM 0 HB2 GLN A 36 29.785 3.406 3.927 1.00 0.73 H new ATOM 0 HB3 GLN A 36 30.588 3.983 5.374 1.00 0.73 H new ATOM 0 HG2 GLN A 36 29.206 6.224 4.892 1.00 0.96 H new ATOM 0 HG3 GLN A 36 28.183 5.160 3.947 1.00 0.96 H new ATOM 0 HE21 GLN A 36 28.882 6.254 7.149 1.00 1.83 H new ATOM 0 HE22 GLN A 36 27.906 5.061 8.014 1.00 1.83 H new ATOM 635 N GLY A 37 31.582 7.294 4.480 1.00 1.00 N ATOM 636 CA GLY A 37 32.347 8.274 5.306 1.00 1.43 C ATOM 637 C GLY A 37 33.596 8.732 4.546 1.00 2.02 C ATOM 638 O GLY A 37 33.737 8.364 3.392 1.00 2.58 O ATOM 639 OXT GLY A 37 34.394 9.445 5.133 1.00 2.62 O ATOM 0 H GLY A 37 30.797 7.687 3.961 1.00 1.00 H new ATOM 0 HA2 GLY A 37 31.719 9.133 5.542 1.00 1.43 H new ATOM 0 HA3 GLY A 37 32.634 7.819 6.254 1.00 1.43 H new TER 643 GLY A 37 HETATM 644 ZN ZN A 38 30.991 -5.419 -7.602 1.00 0.39 ZN CONECT 189 644 CONECT 233 644 CONECT 468 644 CONECT 544 644 CONECT 644 189 233 468 544 END