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 1 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 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 9 H1 MET A 1 35.005 10.299 12.018 1.00 8.94 H ATOM 10 H2 MET A 1 33.670 9.262 11.847 1.00 8.82 H ATOM 11 H3 MET A 1 33.431 10.928 12.084 1.00 8.70 H ATOM 12 HA MET A 1 34.409 11.419 9.931 1.00 7.77 H ATOM 13 HB2 MET A 1 35.983 9.460 10.179 1.00 7.10 H ATOM 14 HB3 MET A 1 34.642 8.397 9.748 1.00 6.66 H ATOM 15 HG2 MET A 1 34.404 9.532 7.587 1.00 6.23 H ATOM 16 HG3 MET A 1 35.694 10.655 8.016 1.00 6.73 H ATOM 17 HE1 MET A 1 35.247 7.324 5.885 1.00 4.70 H ATOM 18 HE2 MET A 1 34.453 7.316 7.456 1.00 4.46 H ATOM 19 HE3 MET A 1 35.803 6.226 7.153 1.00 4.64 H 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 29 H LYS A 2 32.608 12.016 8.796 1.00 7.30 H ATOM 30 HA LYS A 2 30.556 9.968 8.118 1.00 6.74 H ATOM 31 HB2 LYS A 2 30.118 11.290 10.327 1.00 7.87 H ATOM 32 HB3 LYS A 2 29.767 12.646 9.256 1.00 7.65 H ATOM 33 HG2 LYS A 2 28.298 10.713 8.047 1.00 8.38 H ATOM 34 HG3 LYS A 2 28.223 10.152 9.717 1.00 8.60 H ATOM 35 HD2 LYS A 2 26.410 11.606 9.674 1.00 9.38 H ATOM 36 HD3 LYS A 2 27.687 12.693 10.220 1.00 9.07 H ATOM 37 HE2 LYS A 2 28.065 13.310 7.775 1.00 9.84 H ATOM 38 HE3 LYS A 2 26.570 12.425 7.410 1.00 9.94 H ATOM 39 HZ1 LYS A 2 25.297 13.875 8.613 1.00 10.90 H ATOM 40 HZ2 LYS A 2 26.492 14.950 8.061 1.00 10.72 H ATOM 41 HZ3 LYS A 2 26.567 14.331 9.641 1.00 10.82 H 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 49 H VAL A 3 29.787 10.306 6.071 1.00 5.07 H ATOM 50 HA VAL A 3 30.095 12.993 4.798 1.00 4.74 H ATOM 51 HB VAL A 3 31.022 10.324 3.674 1.00 3.86 H ATOM 52 HG11 VAL A 3 32.073 11.864 1.933 1.00 3.96 H ATOM 53 HG12 VAL A 3 31.049 13.147 2.579 1.00 3.85 H ATOM 54 HG13 VAL A 3 30.318 11.713 1.857 1.00 3.92 H ATOM 55 HG21 VAL A 3 32.527 11.081 5.431 1.00 4.45 H ATOM 56 HG22 VAL A 3 32.558 12.709 4.753 1.00 4.40 H ATOM 57 HG23 VAL A 3 33.295 11.373 3.870 1.00 4.30 H 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 69 H ARG A 4 28.709 13.205 2.865 1.00 3.66 H ATOM 70 HA ARG A 4 26.139 11.853 3.156 1.00 3.86 H ATOM 71 HB2 ARG A 4 26.669 14.268 2.437 1.00 4.47 H ATOM 72 HB3 ARG A 4 27.096 13.587 0.866 1.00 3.91 H ATOM 73 HG2 ARG A 4 24.914 12.958 0.387 1.00 4.93 H ATOM 74 HG3 ARG A 4 24.475 12.803 2.088 1.00 5.01 H ATOM 75 HD2 ARG A 4 23.361 14.780 1.334 1.00 5.16 H ATOM 76 HD3 ARG A 4 24.785 15.370 2.213 1.00 5.42 H ATOM 77 HE ARG A 4 25.657 14.970 -0.418 1.00 5.89 H ATOM 78 HH11 ARG A 4 23.245 16.817 1.228 1.00 6.31 H ATOM 79 HH12 ARG A 4 23.250 18.100 0.066 1.00 7.28 H ATOM 80 HH21 ARG A 4 25.668 16.636 -1.941 1.00 7.26 H ATOM 81 HH22 ARG A 4 24.619 17.997 -1.727 1.00 7.72 H 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 87 H ALA A 5 27.800 9.776 2.760 1.00 2.53 H ATOM 88 HA ALA A 5 27.345 8.980 -0.099 1.00 2.05 H ATOM 89 HB1 ALA A 5 29.691 9.530 0.257 1.00 3.01 H ATOM 90 HB2 ALA A 5 29.545 7.778 0.125 1.00 3.04 H ATOM 91 HB3 ALA A 5 29.742 8.529 1.708 1.00 3.03 H 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 98 H SER A 6 26.310 7.025 -0.294 1.00 1.68 H ATOM 99 HA SER A 6 26.119 5.272 2.137 1.00 2.02 H ATOM 100 HB2 SER A 6 24.087 5.637 -0.088 1.00 2.88 H ATOM 101 HB3 SER A 6 23.841 4.825 1.455 1.00 2.91 H ATOM 102 HG SER A 6 23.112 6.763 1.950 1.00 3.24 H 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 110 H VAL A 7 28.222 4.543 0.889 1.00 1.13 H ATOM 111 HA VAL A 7 28.312 3.292 -1.584 1.00 0.69 H ATOM 112 HB VAL A 7 30.090 1.923 -0.596 1.00 1.55 H ATOM 113 HG11 VAL A 7 31.456 3.716 -0.408 1.00 2.23 H ATOM 114 HG12 VAL A 7 30.502 4.432 0.891 1.00 2.32 H ATOM 115 HG13 VAL A 7 30.009 4.645 -0.789 1.00 2.38 H ATOM 116 HG21 VAL A 7 30.471 2.365 1.950 1.00 1.68 H ATOM 117 HG22 VAL A 7 29.270 1.162 1.483 1.00 1.63 H ATOM 118 HG23 VAL A 7 28.758 2.778 1.972 1.00 1.67 H 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 128 H LYS A 8 26.895 1.893 -2.406 1.00 1.13 H ATOM 129 HA LYS A 8 25.853 -0.336 -0.683 1.00 0.59 H ATOM 130 HB2 LYS A 8 23.921 -0.278 -2.305 1.00 1.04 H ATOM 131 HB3 LYS A 8 24.106 1.211 -1.380 1.00 1.14 H ATOM 132 HG2 LYS A 8 25.224 2.295 -3.251 1.00 1.63 H ATOM 133 HG3 LYS A 8 25.218 0.790 -4.172 1.00 1.53 H ATOM 134 HD2 LYS A 8 22.770 0.793 -4.222 1.00 2.00 H ATOM 135 HD3 LYS A 8 22.732 2.249 -3.227 1.00 2.06 H ATOM 136 HE2 LYS A 8 23.887 3.517 -4.999 1.00 2.71 H ATOM 137 HE3 LYS A 8 23.969 2.054 -6.000 1.00 2.63 H ATOM 138 HZ1 LYS A 8 22.006 3.459 -6.494 1.00 2.85 H ATOM 139 HZ2 LYS A 8 21.450 3.197 -4.910 1.00 2.74 H ATOM 140 HZ3 LYS A 8 21.594 1.893 -5.990 1.00 2.69 H 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 152 H ARG A 9 25.801 -2.453 -1.706 1.00 0.64 H ATOM 153 HA ARG A 9 28.011 -3.081 -3.377 1.00 0.48 H ATOM 154 HB2 ARG A 9 25.450 -4.671 -3.306 1.00 1.21 H ATOM 155 HB3 ARG A 9 27.100 -5.269 -3.398 1.00 1.20 H ATOM 156 HG2 ARG A 9 27.113 -5.489 -1.159 1.00 1.63 H ATOM 157 HG3 ARG A 9 26.952 -3.740 -1.013 1.00 1.66 H ATOM 158 HD2 ARG A 9 25.115 -4.816 0.205 1.00 1.72 H ATOM 159 HD3 ARG A 9 24.448 -4.023 -1.238 1.00 1.78 H ATOM 160 HE ARG A 9 25.225 -6.651 -1.985 1.00 2.03 H ATOM 161 HH11 ARG A 9 22.965 -5.014 0.051 1.00 2.36 H ATOM 162 HH12 ARG A 9 21.764 -6.257 -0.062 1.00 2.85 H ATOM 163 HH21 ARG A 9 23.666 -8.277 -2.142 1.00 3.16 H ATOM 164 HH22 ARG A 9 22.161 -8.103 -1.303 1.00 3.11 H 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 173 H ILE A 10 28.117 -3.488 -5.625 1.00 0.57 H ATOM 174 HA ILE A 10 25.953 -2.232 -7.253 1.00 0.48 H ATOM 175 HB ILE A 10 28.929 -2.625 -7.608 1.00 0.41 H ATOM 176 HG12 ILE A 10 27.159 -0.163 -7.445 1.00 0.64 H ATOM 177 HG13 ILE A 10 28.147 -0.792 -6.125 1.00 0.66 H ATOM 178 HG21 ILE A 10 28.632 -1.390 -9.753 1.00 1.19 H ATOM 179 HG22 ILE A 10 26.884 -1.511 -9.554 1.00 1.09 H ATOM 180 HG23 ILE A 10 27.850 -2.969 -9.777 1.00 1.10 H ATOM 181 HD11 ILE A 10 29.217 0.099 -8.813 1.00 1.25 H ATOM 182 HD12 ILE A 10 30.174 -0.443 -7.436 1.00 1.34 H ATOM 183 HD13 ILE A 10 29.266 1.065 -7.340 1.00 1.21 H 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 190 H CYS A 11 28.461 -4.774 -7.663 1.00 0.61 H ATOM 191 HA CYS A 11 26.471 -6.318 -9.278 1.00 0.53 H ATOM 192 HB2 CYS A 11 28.285 -7.100 -10.539 1.00 0.60 H ATOM 193 HB3 CYS A 11 28.762 -5.453 -10.166 1.00 0.54 H 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 202 H ASP A 12 27.589 -8.805 -9.176 1.00 0.62 H ATOM 203 HA ASP A 12 26.808 -9.709 -6.495 1.00 0.67 H ATOM 204 HB2 ASP A 12 27.935 -11.340 -8.770 1.00 1.10 H ATOM 205 HB3 ASP A 12 26.769 -11.840 -7.545 1.00 1.02 H 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 215 H LYS A 13 29.519 -8.258 -7.010 1.00 0.61 H ATOM 216 HA LYS A 13 31.218 -10.362 -5.708 1.00 0.66 H ATOM 217 HB2 LYS A 13 31.693 -8.495 -7.999 1.00 1.07 H ATOM 218 HB3 LYS A 13 33.061 -8.920 -6.972 1.00 1.15 H ATOM 219 HG2 LYS A 13 33.248 -10.871 -8.075 1.00 1.68 H ATOM 220 HG3 LYS A 13 31.654 -11.331 -7.478 1.00 1.56 H ATOM 221 HD2 LYS A 13 30.565 -10.395 -9.399 1.00 1.97 H ATOM 222 HD3 LYS A 13 32.050 -9.605 -9.934 1.00 1.96 H ATOM 223 HE2 LYS A 13 33.087 -11.731 -10.451 1.00 2.28 H ATOM 224 HE3 LYS A 13 31.745 -12.621 -9.703 1.00 2.13 H ATOM 225 HZ1 LYS A 13 30.762 -10.718 -11.556 1.00 3.12 H ATOM 226 HZ2 LYS A 13 30.541 -12.403 -11.540 1.00 3.06 H ATOM 227 HZ3 LYS A 13 31.890 -11.728 -12.322 1.00 3.12 H 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 234 H CYS A 14 29.993 -7.117 -5.506 1.00 0.46 H ATOM 235 HA CYS A 14 32.177 -6.143 -3.810 1.00 0.51 H ATOM 236 HB2 CYS A 14 29.791 -4.594 -3.502 1.00 1.17 H ATOM 237 HB3 CYS A 14 31.248 -4.171 -4.396 1.00 1.30 H 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 247 H LYS A 15 32.103 -5.825 -1.576 1.00 0.48 H ATOM 248 HA LYS A 15 29.825 -7.092 -0.095 1.00 0.52 H ATOM 249 HB2 LYS A 15 32.819 -7.506 0.150 1.00 0.98 H ATOM 250 HB3 LYS A 15 31.699 -7.967 1.433 1.00 1.08 H ATOM 251 HG2 LYS A 15 30.440 -9.341 -0.272 1.00 1.61 H ATOM 252 HG3 LYS A 15 31.743 -9.008 -1.414 1.00 1.57 H ATOM 253 HD2 LYS A 15 33.369 -10.069 0.062 1.00 2.05 H ATOM 254 HD3 LYS A 15 32.133 -10.310 1.298 1.00 1.89 H ATOM 255 HE2 LYS A 15 30.853 -11.738 -0.329 1.00 2.60 H ATOM 256 HE3 LYS A 15 32.217 -11.594 -1.456 1.00 2.76 H ATOM 257 HZ1 LYS A 15 32.800 -13.462 -0.265 1.00 2.93 H ATOM 258 HZ2 LYS A 15 32.124 -12.893 1.186 1.00 3.10 H ATOM 259 HZ3 LYS A 15 33.593 -12.254 0.623 1.00 3.11 H 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 267 H VAL A 16 29.070 -5.704 1.459 1.00 0.46 H ATOM 268 HA VAL A 16 30.499 -3.197 2.003 1.00 0.36 H ATOM 269 HB VAL A 16 27.831 -4.440 2.629 1.00 0.45 H ATOM 270 HG11 VAL A 16 27.425 -2.117 3.805 1.00 1.12 H ATOM 271 HG12 VAL A 16 29.165 -2.176 4.080 1.00 1.07 H ATOM 272 HG13 VAL A 16 28.129 -3.450 4.720 1.00 1.11 H ATOM 273 HG21 VAL A 16 26.988 -2.633 1.338 1.00 1.13 H ATOM 274 HG22 VAL A 16 28.463 -3.109 0.495 1.00 1.17 H ATOM 275 HG23 VAL A 16 28.464 -1.686 1.542 1.00 1.06 H 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 284 H ILE A 17 32.094 -3.194 3.529 1.00 0.34 H ATOM 285 HA ILE A 17 32.148 -5.232 5.677 1.00 0.49 H ATOM 286 HB ILE A 17 34.117 -2.984 5.398 1.00 0.70 H ATOM 287 HG12 ILE A 17 33.797 -3.567 3.070 1.00 1.42 H ATOM 288 HG13 ILE A 17 35.294 -4.320 3.608 1.00 1.39 H ATOM 289 HG21 ILE A 17 35.696 -4.894 5.844 1.00 1.48 H ATOM 290 HG22 ILE A 17 34.290 -5.949 5.993 1.00 1.38 H ATOM 291 HG23 ILE A 17 34.518 -4.617 7.127 1.00 1.41 H ATOM 292 HD11 ILE A 17 34.274 -6.091 2.513 1.00 1.75 H ATOM 293 HD12 ILE A 17 32.655 -5.587 2.984 1.00 1.73 H ATOM 294 HD13 ILE A 17 33.715 -6.358 4.162 1.00 1.75 H 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 306 H ARG A 18 32.511 -4.527 7.936 1.00 0.54 H ATOM 307 HA ARG A 18 31.332 -1.837 8.560 1.00 0.28 H ATOM 308 HB2 ARG A 18 30.822 -4.567 9.787 1.00 0.58 H ATOM 309 HB3 ARG A 18 30.267 -3.059 10.514 1.00 0.53 H ATOM 310 HG2 ARG A 18 29.609 -3.420 7.639 1.00 1.02 H ATOM 311 HG3 ARG A 18 28.777 -4.499 8.756 1.00 0.95 H ATOM 312 HD2 ARG A 18 28.890 -1.621 9.542 1.00 1.71 H ATOM 313 HD3 ARG A 18 27.825 -2.043 8.185 1.00 1.67 H ATOM 314 HE ARG A 18 27.527 -3.944 10.337 1.00 2.19 H ATOM 315 HH11 ARG A 18 26.741 -0.741 9.310 1.00 2.32 H ATOM 316 HH12 ARG A 18 25.277 -0.665 10.230 1.00 3.08 H ATOM 317 HH21 ARG A 18 25.619 -3.858 11.539 1.00 3.45 H ATOM 318 HH22 ARG A 18 24.641 -2.430 11.492 1.00 3.52 H 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 330 H ARG A 19 32.840 -0.660 9.663 1.00 0.37 H ATOM 331 HA ARG A 19 34.686 -2.101 11.541 1.00 0.60 H ATOM 332 HB2 ARG A 19 35.508 -1.243 9.183 1.00 0.72 H ATOM 333 HB3 ARG A 19 35.505 0.333 9.972 1.00 0.73 H ATOM 334 HG2 ARG A 19 37.592 -0.229 10.671 1.00 1.33 H ATOM 335 HG3 ARG A 19 36.759 -1.234 11.856 1.00 1.09 H ATOM 336 HD2 ARG A 19 36.736 -3.009 9.885 1.00 1.85 H ATOM 337 HD3 ARG A 19 38.114 -2.051 9.305 1.00 1.89 H ATOM 338 HE ARG A 19 38.361 -2.543 12.134 1.00 2.27 H ATOM 339 HH11 ARG A 19 38.640 -4.007 9.017 1.00 2.59 H ATOM 340 HH12 ARG A 19 39.828 -5.161 9.521 1.00 3.33 H ATOM 341 HH21 ARG A 19 39.909 -4.045 12.804 1.00 3.23 H ATOM 342 HH22 ARG A 19 40.546 -5.183 11.664 1.00 3.43 H 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 353 H HIS A 20 35.979 0.309 12.373 1.00 0.81 H ATOM 354 HA HIS A 20 34.536 1.199 14.576 1.00 1.03 H ATOM 355 HB2 HIS A 20 36.554 2.539 12.764 1.00 1.20 H ATOM 356 HB3 HIS A 20 36.048 3.250 14.297 1.00 1.31 H ATOM 357 HD1 HIS A 20 36.670 1.934 16.489 1.00 2.46 H ATOM 358 HD2 HIS A 20 38.284 0.318 13.001 1.00 2.57 H ATOM 359 HE1 HIS A 20 38.447 0.284 17.220 1.00 3.34 H 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 364 H GLY A 21 32.271 1.445 13.747 1.00 1.33 H ATOM 365 HA2 GLY A 21 30.460 2.736 12.995 1.00 0.80 H ATOM 366 HA3 GLY A 21 31.458 4.130 13.414 1.00 0.82 H 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 378 H ARG A 22 33.010 2.102 11.192 1.00 0.49 H ATOM 379 HA ARG A 22 32.250 3.932 8.933 1.00 0.52 H ATOM 380 HB2 ARG A 22 34.785 2.566 9.827 1.00 1.21 H ATOM 381 HB3 ARG A 22 34.604 3.099 8.156 1.00 1.22 H ATOM 382 HG2 ARG A 22 34.575 5.341 8.725 1.00 1.92 H ATOM 383 HG3 ARG A 22 33.927 5.035 10.336 1.00 1.91 H ATOM 384 HD2 ARG A 22 36.013 4.574 11.242 1.00 1.77 H ATOM 385 HD3 ARG A 22 36.663 3.975 9.702 1.00 2.14 H ATOM 386 HE ARG A 22 36.077 6.667 9.236 1.00 2.20 H ATOM 387 HH11 ARG A 22 37.997 4.825 11.438 1.00 2.51 H ATOM 388 HH12 ARG A 22 39.199 6.057 11.628 1.00 3.14 H ATOM 389 HH21 ARG A 22 37.639 8.282 9.471 1.00 3.12 H ATOM 390 HH22 ARG A 22 38.996 8.015 10.513 1.00 3.28 H 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 398 H VAL A 23 32.308 2.914 6.775 1.00 0.41 H ATOM 399 HA VAL A 23 31.917 -0.056 6.784 1.00 0.28 H ATOM 400 HB VAL A 23 30.242 1.936 5.261 1.00 0.40 H ATOM 401 HG11 VAL A 23 29.380 -0.819 6.045 1.00 1.09 H ATOM 402 HG12 VAL A 23 30.486 -0.616 4.685 1.00 1.11 H ATOM 403 HG13 VAL A 23 28.899 0.151 4.651 1.00 1.01 H ATOM 404 HG21 VAL A 23 28.471 1.318 7.033 1.00 1.13 H ATOM 405 HG22 VAL A 23 29.730 2.449 7.527 1.00 1.12 H ATOM 406 HG23 VAL A 23 29.827 0.755 8.010 1.00 1.14 H 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 419 H TYR A 24 32.580 -1.037 4.834 1.00 0.28 H ATOM 420 HA TYR A 24 33.852 0.753 2.794 1.00 0.39 H ATOM 421 HB2 TYR A 24 34.898 -1.957 3.605 1.00 0.65 H ATOM 422 HB3 TYR A 24 35.721 -0.721 2.665 1.00 0.71 H ATOM 423 HD1 TYR A 24 35.148 1.708 4.274 1.00 2.16 H ATOM 424 HD2 TYR A 24 36.252 -2.259 5.466 1.00 2.19 H ATOM 425 HE1 TYR A 24 36.129 2.624 6.356 1.00 2.28 H ATOM 426 HE2 TYR A 24 37.242 -1.350 7.559 1.00 2.34 H ATOM 427 HH TYR A 24 38.247 1.284 8.122 1.00 1.52 H 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 435 H VAL A 25 34.000 -0.212 0.663 1.00 0.42 H ATOM 436 HA VAL A 25 32.075 -2.460 0.195 1.00 0.31 H ATOM 437 HB VAL A 25 32.428 0.196 -1.223 1.00 0.33 H ATOM 438 HG11 VAL A 25 31.247 -0.576 -3.079 1.00 1.10 H ATOM 439 HG12 VAL A 25 30.520 -1.912 -2.187 1.00 1.00 H ATOM 440 HG13 VAL A 25 32.210 -2.004 -2.689 1.00 1.11 H ATOM 441 HG21 VAL A 25 29.843 0.049 -0.861 1.00 1.07 H ATOM 442 HG22 VAL A 25 30.874 0.439 0.520 1.00 1.03 H ATOM 443 HG23 VAL A 25 30.248 -1.198 0.318 1.00 1.01 H 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 452 H ILE A 26 33.809 -3.936 -0.001 1.00 0.39 H ATOM 453 HA ILE A 26 35.887 -3.297 -2.022 1.00 0.34 H ATOM 454 HB ILE A 26 37.158 -4.999 -0.901 1.00 0.41 H ATOM 455 HG12 ILE A 26 34.547 -5.828 0.413 1.00 0.90 H ATOM 456 HG13 ILE A 26 35.403 -6.729 -0.837 1.00 0.74 H ATOM 457 HG21 ILE A 26 36.505 -2.810 0.401 1.00 1.12 H ATOM 458 HG22 ILE A 26 37.299 -4.117 1.277 1.00 1.16 H ATOM 459 HG23 ILE A 26 35.555 -3.900 1.410 1.00 1.20 H ATOM 460 HD11 ILE A 26 36.420 -6.115 1.952 1.00 1.35 H ATOM 461 HD12 ILE A 26 37.376 -6.892 0.690 1.00 1.40 H ATOM 462 HD13 ILE A 26 35.941 -7.694 1.329 1.00 1.35 H 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 469 H CYS A 27 36.043 -4.471 -3.937 1.00 0.37 H ATOM 470 HA CYS A 27 34.308 -6.858 -4.340 1.00 0.40 H ATOM 471 HB2 CYS A 27 32.919 -4.884 -4.860 1.00 1.00 H ATOM 472 HB3 CYS A 27 34.175 -4.280 -5.930 1.00 0.97 H 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 482 H GLU A 28 34.849 -8.006 -6.327 1.00 0.33 H ATOM 483 HA GLU A 28 37.619 -8.100 -7.039 1.00 0.47 H ATOM 484 HB2 GLU A 28 36.196 -9.992 -7.433 1.00 0.48 H ATOM 485 HB3 GLU A 28 35.009 -9.012 -8.288 1.00 0.43 H ATOM 486 HG2 GLU A 28 37.049 -8.569 -9.935 1.00 0.89 H ATOM 487 HG3 GLU A 28 37.633 -10.088 -9.257 1.00 0.96 H 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 496 H ASN A 29 34.794 -6.483 -8.421 1.00 0.35 H ATOM 497 HA ASN A 29 36.161 -5.256 -10.668 1.00 0.61 H ATOM 498 HB2 ASN A 29 33.648 -5.842 -10.163 1.00 0.90 H ATOM 499 HB3 ASN A 29 33.637 -4.292 -9.325 1.00 0.74 H ATOM 500 HD21 ASN A 29 32.387 -5.250 -11.977 1.00 0.82 H ATOM 501 HD22 ASN A 29 32.862 -4.068 -13.090 1.00 1.00 H 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 509 HA PRO A 30 38.053 -2.166 -8.026 1.00 0.41 H ATOM 510 HB2 PRO A 30 39.077 -0.602 -10.036 1.00 0.58 H ATOM 511 HB3 PRO A 30 39.831 -2.117 -9.498 1.00 0.69 H ATOM 512 HG2 PRO A 30 38.060 -1.619 -11.848 1.00 0.66 H ATOM 513 HG3 PRO A 30 39.527 -2.607 -11.732 1.00 0.82 H ATOM 514 HD2 PRO A 30 37.056 -3.691 -11.695 1.00 0.69 H ATOM 515 HD3 PRO A 30 38.413 -4.392 -10.784 1.00 0.72 H 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 525 H LYS A 31 35.752 -1.539 -10.605 1.00 0.42 H ATOM 526 HA LYS A 31 35.316 1.260 -10.069 1.00 0.48 H ATOM 527 HB2 LYS A 31 33.956 -0.990 -11.493 1.00 0.57 H ATOM 528 HB3 LYS A 31 32.998 0.450 -11.154 1.00 0.62 H ATOM 529 HG2 LYS A 31 34.009 0.748 -13.325 1.00 1.45 H ATOM 530 HG3 LYS A 31 34.835 1.826 -12.201 1.00 1.46 H ATOM 531 HD2 LYS A 31 36.737 0.405 -12.064 1.00 1.85 H ATOM 532 HD3 LYS A 31 35.876 -0.949 -12.796 1.00 1.82 H ATOM 533 HE2 LYS A 31 37.355 0.029 -14.480 1.00 2.01 H ATOM 534 HE3 LYS A 31 35.682 0.427 -14.917 1.00 1.64 H ATOM 535 HZ1 LYS A 31 37.445 2.313 -14.782 1.00 2.59 H ATOM 536 HZ2 LYS A 31 37.176 2.205 -13.108 1.00 2.64 H ATOM 537 HZ3 LYS A 31 35.890 2.574 -14.156 1.00 2.68 H 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 548 H HIS A 32 34.452 -1.573 -8.283 1.00 0.30 H ATOM 549 HA HIS A 32 32.219 -0.133 -6.909 1.00 0.34 H ATOM 550 HB2 HIS A 32 33.087 -3.036 -6.733 1.00 0.33 H ATOM 551 HB3 HIS A 32 31.572 -2.359 -6.144 1.00 0.40 H ATOM 552 HD2 HIS A 32 31.858 -0.628 -9.351 1.00 0.37 H ATOM 553 HE1 HIS A 32 30.323 -4.371 -10.528 1.00 0.47 H ATOM 554 HE2 HIS A 32 30.775 -1.996 -11.286 1.00 0.48 H 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 564 H LYS A 33 35.415 -0.037 -6.480 1.00 0.33 H ATOM 565 HA LYS A 33 35.602 -0.901 -3.678 1.00 0.33 H ATOM 566 HB2 LYS A 33 37.890 0.093 -3.896 1.00 0.52 H ATOM 567 HB3 LYS A 33 37.523 -1.060 -5.174 1.00 0.46 H ATOM 568 HG2 LYS A 33 38.157 0.563 -6.611 1.00 1.10 H ATOM 569 HG3 LYS A 33 36.619 1.338 -6.235 1.00 1.19 H ATOM 570 HD2 LYS A 33 37.812 3.084 -5.470 1.00 1.75 H ATOM 571 HD3 LYS A 33 38.288 2.061 -4.116 1.00 1.82 H ATOM 572 HE2 LYS A 33 40.230 1.235 -5.469 1.00 1.87 H ATOM 573 HE3 LYS A 33 39.787 2.392 -6.739 1.00 1.78 H ATOM 574 HZ1 LYS A 33 39.752 3.632 -4.188 1.00 2.48 H ATOM 575 HZ2 LYS A 33 40.647 4.057 -5.568 1.00 2.43 H ATOM 576 HZ3 LYS A 33 41.268 2.924 -4.465 1.00 2.46 H 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 586 H GLN A 34 33.868 0.412 -2.735 1.00 0.54 H ATOM 587 HA GLN A 34 34.556 3.334 -2.531 1.00 0.47 H ATOM 588 HB2 GLN A 34 31.821 2.249 -1.920 1.00 0.49 H ATOM 589 HB3 GLN A 34 32.279 3.808 -2.601 1.00 0.53 H ATOM 590 HG2 GLN A 34 33.066 2.460 -4.663 1.00 0.92 H ATOM 591 HG3 GLN A 34 32.116 1.137 -3.985 1.00 0.77 H ATOM 592 HE21 GLN A 34 29.806 2.162 -3.116 1.00 1.42 H ATOM 593 HE22 GLN A 34 29.003 3.071 -4.304 1.00 1.64 H 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 605 H ARG A 35 33.428 4.204 -0.380 1.00 0.55 H ATOM 606 HA ARG A 35 33.404 2.326 1.857 1.00 0.54 H ATOM 607 HB2 ARG A 35 35.392 3.192 2.951 1.00 1.06 H ATOM 608 HB3 ARG A 35 35.838 2.701 1.322 1.00 1.15 H ATOM 609 HG2 ARG A 35 36.801 4.774 1.273 1.00 1.89 H ATOM 610 HG3 ARG A 35 35.168 5.282 0.846 1.00 2.08 H ATOM 611 HD2 ARG A 35 35.121 6.560 2.711 1.00 2.34 H ATOM 612 HD3 ARG A 35 35.266 5.092 3.697 1.00 2.00 H ATOM 613 HE ARG A 35 37.822 5.351 3.084 1.00 2.20 H ATOM 614 HH11 ARG A 35 35.534 7.892 3.641 1.00 3.21 H ATOM 615 HH12 ARG A 35 36.724 9.002 4.230 1.00 3.88 H ATOM 616 HH21 ARG A 35 39.372 6.796 3.853 1.00 2.83 H ATOM 617 HH22 ARG A 35 38.893 8.384 4.349 1.00 3.35 H 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 627 H GLN A 36 31.809 3.098 3.138 1.00 0.43 H ATOM 628 HA GLN A 36 30.567 5.643 2.830 1.00 0.59 H ATOM 629 HB2 GLN A 36 29.779 3.426 3.916 1.00 0.91 H ATOM 630 HB3 GLN A 36 30.587 4.010 5.371 1.00 0.93 H ATOM 631 HG2 GLN A 36 29.216 6.209 4.908 1.00 1.09 H ATOM 632 HG3 GLN A 36 28.186 5.136 3.960 1.00 1.19 H ATOM 633 HE21 GLN A 36 28.862 6.219 7.150 1.00 2.10 H ATOM 634 HE22 GLN A 36 27.923 5.074 7.980 1.00 2.25 H 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 640 H GLY A 37 30.813 7.596 3.952 1.00 1.08 H ATOM 641 HA2 GLY A 37 31.721 9.128 5.519 1.00 1.90 H ATOM 642 HA3 GLY A 37 32.645 7.809 6.233 1.00 1.65 H 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 MASTER 88 0 1 1 3 0 1 6 643 1 5 3 END