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ID	2472	NAME	Divergicin M35   Blast NCBI-PROT
LENGTH	43	DISULFIDE BRIDGE			View PDB REMARK YASARA ************************************************************* REMARK YASARA * * REMARK YASARA * Y A S A R A * REMARK YASARA * * REMARK YASARA * Yet Another Scientific Artificial Reality Application * REMARK YASARA * * REMARK YASARA * MOLECULE STRUCTURE FILE, PDB FORMAT * REMARK YASARA * * REMARK YASARA * Just use YASARA every day to make your questions go away! * REMARK YASARA * * REMARK YASARA * www.YASARA.org * REMARK YASARA * * REMARK YASARA ************************************************************* REMARK YASARA REMARK YASARA Original filename: C:\Users\federica\Favorites\Dropbox\lab13\Lucia\pdb_yadamp\pdb_HM_final\TKYYGNGVYCNSKKCWVDWGTAQGCIDVVIGQLGGGIPGKGKC.pdb REMARK YASARA Written on: Wed May 14 20:07:56 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 625 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYPE IIA BACTERIOCIN LEUCOCIN A; COMPND 3 CHAIN: A; SEQRES 1 A 43 THR LYS TYR TYR GLY ASN GLY VAL TYR CYS ASN SER LYS SEQRES 2 A 43 LYS CYS TRP VAL ASP TRP GLY THR ALA GLN GLY CYS ILE SEQRES 3 A 43 ASP VAL VAL ILE GLY GLN LEU GLY GLY GLY ILE PRO GLY SEQRES 4 A 43 LYS GLY LYS CYS 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 SSBOND 1 CYS A 10 CYS A 15 2.03 ATOM 1 N THR A 1 46.997 13.853 -20.827 1.00-25.88 N ATOM 2 1H THR A 1 47.495 14.539 -20.277 1.00-25.88 H ATOM 3 2H THR A 1 46.548 14.301 -21.612 1.00-25.88 H ATOM 4 3H THR A 1 47.657 13.166 -21.167 1.00-25.88 H ATOM 5 CA THR A 1 45.982 13.173 -19.985 1.00-25.88 C ATOM 6 HA THR A 1 45.248 13.892 -19.628 1.00-25.88 H ATOM 7 C THR A 1 46.674 12.541 -18.800 1.00-25.88 C ATOM 8 O THR A 1 47.890 12.475 -18.819 1.00-25.88 O ATOM 9 CB THR A 1 45.286 12.080 -20.802 1.00-25.88 C ATOM 10 HB THR A 1 44.749 11.406 -20.134 1.00-25.88 H ATOM 11 OG1 THR A 1 46.277 11.363 -21.533 1.00-25.88 O ATOM 12 HG1 THR A 1 46.239 10.432 -21.260 1.00-25.88 H ATOM 13 CG2 THR A 1 44.314 12.656 -21.818 1.00-25.88 C ATOM 14 1HG2 THR A 1 43.806 11.832 -22.324 1.00-25.88 H ATOM 15 2HG2 THR A 1 44.843 13.242 -22.571 1.00-25.88 H ATOM 16 3HG2 THR A 1 43.562 13.273 -21.325 1.00-25.88 H ATOM 17 N LYS A 2 45.951 12.117 -17.763 1.00 0.12 N ATOM 18 H LYS A 2 44.942 12.152 -17.795 1.00 0.12 H ATOM 19 CA LYS A 2 46.590 11.616 -16.534 1.00 0.12 C ATOM 20 HA LYS A 2 47.203 12.415 -16.110 1.00 0.12 H ATOM 21 C LYS A 2 47.516 10.443 -16.844 1.00 0.12 C ATOM 22 O LYS A 2 48.653 10.407 -16.396 1.00 0.12 O ATOM 23 CB LYS A 2 45.505 11.222 -15.522 1.00 0.12 C ATOM 24 1HB LYS A 2 44.643 11.863 -15.707 1.00 0.12 H ATOM 25 2HB LYS A 2 45.195 10.193 -15.708 1.00 0.12 H ATOM 26 CG LYS A 2 45.857 11.380 -14.037 1.00 0.12 C ATOM 27 1HG LYS A 2 46.203 12.398 -13.860 1.00 0.12 H ATOM 28 2HG LYS A 2 44.940 11.229 -13.467 1.00 0.12 H ATOM 29 CD LYS A 2 46.900 10.403 -13.508 1.00 0.12 C ATOM 30 1HD LYS A 2 46.622 9.391 -13.797 1.00 0.12 H ATOM 31 2HD LYS A 2 47.877 10.645 -13.927 1.00 0.12 H ATOM 32 CE LYS A 2 46.966 10.491 -11.987 1.00 0.12 C ATOM 33 1HE LYS A 2 47.201 11.520 -11.706 1.00 0.12 H ATOM 34 2HE LYS A 2 45.990 10.230 -11.574 1.00 0.12 H ATOM 35 NZ LYS A 2 48.007 9.580 -11.414 1.00 0.12 N ATOM 36 1HZ LYS A 2 47.988 9.616 -10.405 1.00 0.12 H ATOM 37 2HZ LYS A 2 48.925 9.883 -11.734 1.00 0.12 H ATOM 38 3HZ LYS A 2 47.855 8.628 -11.723 1.00 0.12 H ATOM 39 N TYR A 3 47.058 9.560 -17.714 1.00 -2.33 N ATOM 40 H TYR A 3 46.106 9.611 -18.041 1.00 -2.33 H ATOM 41 CA TYR A 3 47.905 8.548 -18.328 1.00 -2.33 C ATOM 42 HA TYR A 3 48.958 8.790 -18.199 1.00 -2.33 H ATOM 43 C TYR A 3 47.501 8.638 -19.787 1.00 -2.33 C ATOM 44 O TYR A 3 46.368 9.033 -20.064 1.00 -2.33 O ATOM 45 CB TYR A 3 47.607 7.150 -17.782 1.00 -2.33 C ATOM 46 1HB TYR A 3 46.599 6.870 -18.087 1.00 -2.33 H ATOM 47 2HB TYR A 3 48.306 6.443 -18.229 1.00 -2.33 H ATOM 48 CG TYR A 3 47.689 7.034 -16.273 1.00 -2.33 C ATOM 49 CD1 TYR A 3 46.576 6.583 -15.534 1.00 -2.33 C ATOM 50 HD1 TYR A 3 45.658 6.326 -16.045 1.00 -2.33 H ATOM 51 CD2 TYR A 3 48.874 7.354 -15.575 1.00 -2.33 C ATOM 52 HD2 TYR A 3 49.743 7.699 -16.116 1.00 -2.33 H ATOM 53 CE1 TYR A 3 46.645 6.443 -14.123 1.00 -2.33 C ATOM 54 HE1 TYR A 3 45.789 6.076 -13.575 1.00 -2.33 H ATOM 55 CE2 TYR A 3 48.938 7.237 -14.159 1.00 -2.33 C ATOM 56 HE2 TYR A 3 49.846 7.490 -13.633 1.00 -2.33 H ATOM 57 CZ TYR A 3 47.824 6.773 -13.453 1.00 -2.33 C ATOM 58 OH TYR A 3 47.877 6.658 -12.086 1.00 -2.33 O ATOM 59 HH TYR A 3 47.138 6.152 -11.735 1.00 -2.33 H ATOM 60 N TYR A 4 48.384 8.275 -20.701 1.00 -3.74 N ATOM 61 H TYR A 4 49.346 8.075 -20.417 1.00 -3.74 H ATOM 62 CA TYR A 4 48.070 8.201 -22.131 1.00 -3.74 C ATOM 63 HA TYR A 4 47.091 8.631 -22.341 1.00 -3.74 H ATOM 64 C TYR A 4 48.076 6.732 -22.552 1.00 -3.74 C ATOM 65 O TYR A 4 48.020 6.401 -23.731 1.00 -3.74 O ATOM 66 CB TYR A 4 49.137 8.928 -22.950 1.00 -3.74 C ATOM 67 1HB TYR A 4 50.089 8.480 -22.694 1.00 -3.74 H ATOM 68 2HB TYR A 4 48.956 8.738 -24.007 1.00 -3.74 H ATOM 69 CG TYR A 4 49.238 10.435 -22.771 1.00 -3.74 C ATOM 70 CD1 TYR A 4 49.706 11.014 -21.570 1.00 -3.74 C ATOM 71 HD1 TYR A 4 49.932 10.393 -20.723 1.00 -3.74 H ATOM 72 CD2 TYR A 4 48.933 11.295 -23.847 1.00 -3.74 C ATOM 73 HD2 TYR A 4 48.560 10.882 -24.775 1.00 -3.74 H ATOM 74 CE1 TYR A 4 49.912 12.410 -21.465 1.00 -3.74 C ATOM 75 HE1 TYR A 4 50.300 12.832 -20.549 1.00 -3.74 H ATOM 76 CE2 TYR A 4 49.136 12.697 -23.742 1.00 -3.74 C ATOM 77 HE2 TYR A 4 48.915 13.338 -24.583 1.00 -3.74 H ATOM 78 CZ TYR A 4 49.635 13.235 -22.554 1.00 -3.74 C ATOM 79 OH TYR A 4 49.822 14.587 -22.440 1.00 -3.74 O ATOM 80 HH TYR A 4 49.752 15.046 -23.281 1.00 -3.74 H ATOM 81 N GLY A 5 48.229 5.845 -21.579 1.00 23.59 N ATOM 82 H GLY A 5 48.303 6.161 -20.629 1.00 23.59 H ATOM 83 CA GLY A 5 48.304 4.415 -21.838 1.00 23.59 C ATOM 84 1HA GLY A 5 48.016 3.876 -20.936 1.00 23.59 H ATOM 85 2HA GLY A 5 47.595 4.157 -22.626 1.00 23.59 H ATOM 86 C GLY A 5 49.678 3.931 -22.262 1.00 23.59 C ATOM 87 O GLY A 5 50.255 3.077 -21.603 1.00 23.59 O ATOM 88 N ASN A 6 50.243 4.521 -23.308 1.00 23.41 N ATOM 89 H ASN A 6 49.723 5.258 -23.776 1.00 23.41 H ATOM 90 CA ASN A 6 51.545 4.119 -23.862 1.00 23.41 C ATOM 91 HA ASN A 6 51.578 3.028 -23.869 1.00 23.41 H ATOM 92 C ASN A 6 52.771 4.602 -23.068 1.00 23.41 C ATOM 93 O ASN A 6 53.718 5.142 -23.627 1.00 23.41 O ATOM 94 CB ASN A 6 51.636 4.605 -25.315 1.00 23.41 C ATOM 95 1HB ASN A 6 50.692 4.399 -25.816 1.00 23.41 H ATOM 96 2HB ASN A 6 51.810 5.680 -25.327 1.00 23.41 H ATOM 97 CG ASN A 6 52.735 3.913 -26.092 1.00 23.41 C ATOM 98 OD1 ASN A 6 52.822 2.701 -26.102 1.00 23.41 O ATOM 99 ND2 ASN A 6 53.561 4.670 -26.760 1.00 23.41 N ATOM 100 1HD2 ASN A 6 54.290 4.220 -27.287 1.00 23.41 H ATOM 101 2HD2 ASN A 6 53.478 5.668 -26.721 1.00 23.41 H ATOM 102 N GLY A 7 52.735 4.470 -21.749 1.00 13.08 N ATOM 103 H GLY A 7 51.933 4.001 -21.331 1.00 13.08 H ATOM 104 CA GLY A 7 53.844 4.892 -20.902 1.00 13.08 C ATOM 105 1HA GLY A 7 53.614 4.620 -19.872 1.00 13.08 H ATOM 106 2HA GLY A 7 54.729 4.340 -21.202 1.00 13.08 H ATOM 107 C GLY A 7 54.180 6.371 -20.939 1.00 13.08 C ATOM 108 O GLY A 7 55.322 6.781 -20.739 1.00 13.08 O ATOM 109 N VAL A 8 53.169 7.185 -21.191 1.00 0.74 N ATOM 110 H VAL A 8 52.255 6.799 -21.352 1.00 0.74 H ATOM 111 CA VAL A 8 53.294 8.640 -21.180 1.00 0.74 C ATOM 112 HA VAL A 8 54.277 8.935 -20.818 1.00 0.74 H ATOM 113 C VAL A 8 52.230 9.002 -20.154 1.00 0.74 C ATOM 114 O VAL A 8 51.182 8.334 -20.108 1.00 0.74 O ATOM 115 CB VAL A 8 53.038 9.268 -22.587 1.00 0.74 C ATOM 116 HB VAL A 8 52.033 9.026 -22.893 1.00 0.74 H ATOM 117 CG1 VAL A 8 53.181 10.796 -22.573 1.00 0.74 C ATOM 118 1HG1 VAL A 8 52.926 11.200 -23.553 1.00 0.74 H ATOM 119 2HG1 VAL A 8 54.203 11.079 -22.326 1.00 0.74 H ATOM 120 3HG1 VAL A 8 52.509 11.233 -21.837 1.00 0.74 H ATOM 121 CG2 VAL A 8 53.979 8.673 -23.637 1.00 0.74 C ATOM 122 1HG2 VAL A 8 53.861 9.195 -24.586 1.00 0.74 H ATOM 123 2HG2 VAL A 8 53.741 7.624 -23.794 1.00 0.74 H ATOM 124 3HG2 VAL A 8 55.009 8.751 -23.303 1.00 0.74 H ATOM 125 N TYR A 9 52.485 9.986 -19.309 1.00 28.55 N ATOM 126 H TYR A 9 53.360 10.512 -19.391 1.00 28.55 H ATOM 127 CA TYR A 9 51.576 10.346 -18.225 1.00 28.55 C ATOM 128 HA TYR A 9 50.565 10.041 -18.477 1.00 28.55 H ATOM 129 C TYR A 9 51.577 11.851 -18.002 1.00 28.55 C ATOM 130 O TYR A 9 52.447 12.536 -18.526 1.00 28.55 O ATOM 131 CB TYR A 9 52.011 9.626 -16.941 1.00 28.55 C ATOM 132 1HB TYR A 9 51.303 9.871 -16.151 1.00 28.55 H ATOM 133 2HB TYR A 9 51.957 8.551 -17.114 1.00 28.55 H ATOM 134 CG TYR A 9 53.408 9.963 -16.438 1.00 28.55 C ATOM 135 CD1 TYR A 9 53.648 11.155 -15.723 1.00 28.55 C ATOM 136 HD1 TYR A 9 52.860 11.874 -15.610 1.00 28.55 H ATOM 137 CD2 TYR A 9 54.484 9.065 -16.610 1.00 28.55 C ATOM 138 HD2 TYR A 9 54.348 8.158 -17.182 1.00 28.55 H ATOM 139 CE1 TYR A 9 54.902 11.418 -15.126 1.00 28.55 C ATOM 140 HE1 TYR A 9 55.058 12.337 -14.581 1.00 28.55 H ATOM 141 CE2 TYR A 9 55.753 9.327 -16.011 1.00 28.55 C ATOM 142 HE2 TYR A 9 56.567 8.622 -16.120 1.00 28.55 H ATOM 143 CZ TYR A 9 55.936 10.490 -15.258 1.00 28.55 C ATOM 144 OH TYR A 9 57.127 10.764 -14.637 1.00 28.55 O ATOM 145 HH TYR A 9 57.066 11.517 -14.051 1.00 28.55 H ATOM 146 N CYS A 10 50.661 12.343 -17.179 1.00 22.11 N ATOM 147 H CYS A 10 49.889 11.747 -16.879 1.00 22.11 H ATOM 148 CA CYS A 10 50.773 13.659 -16.552 1.00 22.11 C ATOM 149 HA CYS A 10 51.775 14.039 -16.691 1.00 22.11 H ATOM 150 C CYS A 10 50.537 13.459 -15.056 1.00 22.11 C ATOM 151 O CYS A 10 49.433 13.102 -14.642 1.00 22.11 O ATOM 152 CB CYS A 10 49.768 14.670 -17.116 1.00 22.11 C ATOM 153 1HB CYS A 10 48.769 14.267 -16.954 1.00 22.11 H ATOM 154 2HB CYS A 10 49.852 15.595 -16.546 1.00 22.11 H ATOM 155 SG CYS A 10 49.935 15.072 -18.890 1.00 22.11 S ATOM 156 N ASN A 11 51.570 13.661 -14.250 1.00 10.69 N ATOM 157 H ASN A 11 52.457 13.995 -14.640 1.00 10.69 H ATOM 158 CA ASN A 11 51.498 13.461 -12.801 1.00 10.69 C ATOM 159 HA ASN A 11 50.463 13.370 -12.474 1.00 10.69 H ATOM 160 C ASN A 11 52.127 14.687 -12.166 1.00 10.69 C ATOM 161 O ASN A 11 53.162 15.134 -12.643 1.00 10.69 O ATOM 162 CB ASN A 11 52.297 12.226 -12.360 1.00 10.69 C ATOM 163 1HB ASN A 11 53.253 12.213 -12.878 1.00 10.69 H ATOM 164 2HB ASN A 11 52.488 12.301 -11.290 1.00 10.69 H ATOM 165 CG ASN A 11 51.565 10.933 -12.603 1.00 10.69 C ATOM 166 OD1 ASN A 11 50.412 10.788 -12.226 1.00 10.69 O ATOM 167 ND2 ASN A 11 52.224 9.971 -13.181 1.00 10.69 N ATOM 168 1HD2 ASN A 11 51.775 9.084 -13.322 1.00 10.69 H ATOM 169 2HD2 ASN A 11 53.171 10.118 -13.497 1.00 10.69 H ATOM 170 N SER A 12 51.508 15.228 -11.122 1.00 13.27 N ATOM 171 H SER A 12 50.672 14.793 -10.768 1.00 13.27 H ATOM 172 CA SER A 12 52.002 16.427 -10.427 1.00 13.27 C ATOM 173 HA SER A 12 51.213 16.780 -9.763 1.00 13.27 H ATOM 174 C SER A 12 52.361 17.573 -11.379 1.00 13.27 C ATOM 175 O SER A 12 53.428 18.167 -11.278 1.00 13.27 O ATOM 176 CB SER A 12 53.203 16.054 -9.556 1.00 13.27 C ATOM 177 1HB SER A 12 54.048 15.792 -10.193 1.00 13.27 H ATOM 178 2HB SER A 12 53.476 16.902 -8.925 1.00 13.27 H ATOM 179 OG SER A 12 52.860 14.939 -8.746 1.00 13.27 O ATOM 180 HG SER A 12 53.587 14.771 -8.139 1.00 13.27 H ATOM 181 N LYS A 13 51.471 17.805 -12.342 1.00-11.88 N ATOM 182 H LYS A 13 50.628 17.255 -12.326 1.00-11.88 H ATOM 183 CA LYS A 13 51.619 18.754 -13.468 1.00-11.88 C ATOM 184 HA LYS A 13 50.691 18.709 -14.039 1.00-11.88 H ATOM 185 C LYS A 13 52.723 18.443 -14.484 1.00-11.88 C ATOM 186 O LYS A 13 52.701 18.985 -15.583 1.00-11.88 O ATOM 187 CB LYS A 13 51.779 20.210 -13.001 1.00-11.88 C ATOM 188 1HB LYS A 13 52.719 20.306 -12.459 1.00-11.88 H ATOM 189 2HB LYS A 13 51.840 20.844 -13.886 1.00-11.88 H ATOM 190 CG LYS A 13 50.653 20.737 -12.120 1.00-11.88 C ATOM 191 1HG LYS A 13 49.705 20.638 -12.649 1.00-11.88 H ATOM 192 2HG LYS A 13 50.613 20.164 -11.194 1.00-11.88 H ATOM 193 CD LYS A 13 50.898 22.205 -11.790 1.00-11.88 C ATOM 194 1HD LYS A 13 51.871 22.301 -11.305 1.00-11.88 H ATOM 195 2HD LYS A 13 50.907 22.779 -12.718 1.00-11.88 H ATOM 196 CE LYS A 13 49.818 22.761 -10.866 1.00-11.88 C ATOM 197 1HE LYS A 13 48.844 22.638 -11.344 1.00-11.88 H ATOM 198 2HE LYS A 13 49.824 22.194 -9.932 1.00-11.88 H ATOM 199 NZ LYS A 13 50.052 24.219 -10.570 1.00-11.88 N ATOM 200 1HZ LYS A 13 49.327 24.566 -9.955 1.00-11.88 H ATOM 201 2HZ LYS A 13 50.038 24.751 -11.430 1.00-11.88 H ATOM 202 3HZ LYS A 13 50.951 24.339 -10.122 1.00-11.88 H ATOM 203 N LYS A 14 53.652 17.553 -14.175 1.00 4.76 N ATOM 204 H LYS A 14 53.641 17.108 -13.263 1.00 4.76 H ATOM 205 CA LYS A 14 54.671 17.146 -15.140 1.00 4.76 C ATOM 206 HA LYS A 14 55.003 18.019 -15.703 1.00 4.76 H ATOM 207 C LYS A 14 54.040 16.144 -16.097 1.00 4.76 C ATOM 208 O LYS A 14 53.829 14.978 -15.743 1.00 4.76 O ATOM 209 CB LYS A 14 55.875 16.500 -14.444 1.00 4.76 C ATOM 210 1HB LYS A 14 56.224 17.153 -13.644 1.00 4.76 H ATOM 211 2HB LYS A 14 55.558 15.556 -14.001 1.00 4.76 H ATOM 212 CG LYS A 14 57.031 16.232 -15.404 1.00 4.76 C ATOM 213 1HG LYS A 14 56.641 15.758 -16.301 1.00 4.76 H ATOM 214 2HG LYS A 14 57.490 17.181 -15.684 1.00 4.76 H ATOM 215 CD LYS A 14 58.082 15.306 -14.813 1.00 4.76 C ATOM 216 1HD LYS A 14 58.463 15.723 -13.879 1.00 4.76 H ATOM 217 2HD LYS A 14 57.620 14.338 -14.618 1.00 4.76 H ATOM 218 CE LYS A 14 59.223 15.132 -15.809 1.00 4.76 C ATOM 219 1HE LYS A 14 58.790 14.928 -16.790 1.00 4.76 H ATOM 220 2HE LYS A 14 59.779 16.069 -15.878 1.00 4.76 H ATOM 221 NZ LYS A 14 60.162 14.008 -15.461 1.00 4.76 N ATOM 222 1HZ LYS A 14 60.903 13.957 -16.149 1.00 4.76 H ATOM 223 2HZ LYS A 14 59.662 13.127 -15.472 1.00 4.76 H ATOM 224 3HZ LYS A 14 60.564 14.156 -14.546 1.00 4.76 H ATOM 225 N CYS A 15 53.754 16.576 -17.312 1.00 -6.19 N ATOM 226 H CYS A 15 53.798 17.562 -17.522 1.00 -6.19 H ATOM 227 CA CYS A 15 53.496 15.627 -18.385 1.00 -6.19 C ATOM 228 HA CYS A 15 52.930 14.797 -17.998 1.00 -6.19 H ATOM 229 C CYS A 15 54.857 15.105 -18.830 1.00 -6.19 C ATOM 230 O CYS A 15 55.828 15.861 -18.904 1.00 -6.19 O ATOM 231 CB CYS A 15 52.700 16.263 -19.521 1.00 -6.19 C ATOM 232 1HB CYS A 15 53.247 17.130 -19.892 1.00 -6.19 H ATOM 233 2HB CYS A 15 52.603 15.540 -20.332 1.00 -6.19 H ATOM 234 SG CYS A 15 51.031 16.783 -18.996 1.00 -6.19 S ATOM 235 N TRP A 16 54.955 13.801 -19.028 1.00 10.34 N ATOM 236 H TRP A 16 54.122 13.211 -18.948 1.00 10.34 H ATOM 237 CA TRP A 16 56.233 13.149 -19.277 1.00 10.34 C ATOM 238 HA TRP A 16 56.889 13.826 -19.819 1.00 10.34 H ATOM 239 C TRP A 16 56.054 11.874 -20.082 1.00 10.34 C ATOM 240 O TRP A 16 55.151 11.082 -19.814 1.00 10.34 O ATOM 241 CB TRP A 16 56.845 12.809 -17.917 1.00 10.34 C ATOM 242 1HB TRP A 16 56.829 13.706 -17.305 1.00 10.34 H ATOM 243 2HB TRP A 16 56.207 12.069 -17.445 1.00 10.34 H ATOM 244 CG TRP A 16 58.250 12.273 -17.930 1.00 10.34 C ATOM 245 CD1 TRP A 16 58.682 11.121 -17.353 1.00 10.34 C ATOM 246 HD1 TRP A 16 58.036 10.422 -16.831 1.00 10.34 H ATOM 247 CD2 TRP A 16 59.424 12.861 -18.527 1.00 10.34 C ATOM 248 NE1 TRP A 16 60.025 10.940 -17.524 1.00 10.34 N ATOM 249 HE1 TRP A 16 60.531 10.116 -17.213 1.00 10.34 H ATOM 250 CE2 TRP A 16 60.523 12.003 -18.225 1.00 10.34 C ATOM 251 CE3 TRP A 16 59.671 14.051 -19.245 1.00 10.34 C ATOM 252 HE3 TRP A 16 58.863 14.728 -19.482 1.00 10.34 H ATOM 253 CZ2 TRP A 16 61.843 12.302 -18.618 1.00 10.34 C ATOM 254 HZ2 TRP A 16 62.656 11.629 -18.381 1.00 10.34 H ATOM 255 CZ3 TRP A 16 60.998 14.350 -19.650 1.00 10.34 C ATOM 256 HZ3 TRP A 16 61.198 15.252 -20.212 1.00 10.34 H ATOM 257 CH2 TRP A 16 62.070 13.469 -19.326 1.00 10.34 C ATOM 258 HH2 TRP A 16 63.075 13.712 -19.647 1.00 10.34 H ATOM 259 N VAL A 17 56.938 11.666 -21.045 1.00 4.73 N ATOM 260 H VAL A 17 57.624 12.369 -21.261 1.00 4.73 H ATOM 261 CA VAL A 17 57.092 10.371 -21.696 1.00 4.73 C ATOM 262 HA VAL A 17 56.141 9.849 -21.767 1.00 4.73 H ATOM 263 C VAL A 17 58.013 9.686 -20.707 1.00 4.73 C ATOM 264 O VAL A 17 59.057 10.234 -20.409 1.00 4.73 O ATOM 265 CB VAL A 17 57.779 10.503 -23.086 1.00 4.73 C ATOM 266 HB VAL A 17 58.723 11.027 -22.951 1.00 4.73 H ATOM 267 CG1 VAL A 17 58.074 9.133 -23.710 1.00 4.73 C ATOM 268 1HG1 VAL A 17 58.503 9.271 -24.704 1.00 4.73 H ATOM 269 2HG1 VAL A 17 57.166 8.539 -23.789 1.00 4.73 H ATOM 270 3HG1 VAL A 17 58.809 8.610 -23.103 1.00 4.73 H ATOM 271 CG2 VAL A 17 56.916 11.338 -24.044 1.00 4.73 C ATOM 272 1HG2 VAL A 17 57.433 11.445 -24.999 1.00 4.73 H ATOM 273 2HG2 VAL A 17 56.751 12.333 -23.633 1.00 4.73 H ATOM 274 3HG2 VAL A 17 55.955 10.855 -24.211 1.00 4.73 H ATOM 275 N ASP A 18 57.637 8.546 -20.150 1.00 14.70 N ATOM 276 H ASP A 18 56.750 8.108 -20.398 1.00 14.70 H ATOM 277 CA ASP A 18 58.458 7.920 -19.109 1.00 14.70 C ATOM 278 HA ASP A 18 58.689 8.645 -18.333 1.00 14.70 H ATOM 279 C ASP A 18 59.770 7.358 -19.646 1.00 14.70 C ATOM 280 O ASP A 18 60.749 7.183 -18.925 1.00 14.70 O ATOM 281 CB ASP A 18 57.679 6.775 -18.478 1.00 14.70 C ATOM 282 1HB ASP A 18 56.699 7.136 -18.168 1.00 14.70 H ATOM 283 2HB ASP A 18 57.544 5.991 -19.225 1.00 14.70 H ATOM 284 CG ASP A 18 58.396 6.192 -17.289 1.00 14.70 C ATOM 285 OD1 ASP A 18 58.422 6.838 -16.227 1.00 14.70 O ATOM 286 OD2 ASP A 18 58.926 5.065 -17.425 1.00 14.70 O ATOM 287 N TRP A 19 59.734 7.069 -20.941 1.00 8.69 N ATOM 288 H TRP A 19 58.894 7.334 -21.425 1.00 8.69 H ATOM 289 CA TRP A 19 60.779 6.396 -21.725 1.00 8.69 C ATOM 290 HA TRP A 19 60.448 6.420 -22.762 1.00 8.69 H ATOM 291 C TRP A 19 60.946 4.923 -21.372 1.00 8.69 C ATOM 292 O TRP A 19 60.862 4.090 -22.265 1.00 8.69 O ATOM 293 CB TRP A 19 62.129 7.125 -21.699 1.00 8.69 C ATOM 294 1HB TRP A 19 62.595 6.994 -20.724 1.00 8.69 H ATOM 295 2HB TRP A 19 62.780 6.680 -22.451 1.00 8.69 H ATOM 296 CG TRP A 19 61.997 8.591 -21.975 1.00 8.69 C ATOM 297 CD1 TRP A 19 62.026 9.595 -21.063 1.00 8.69 C ATOM 298 HD1 TRP A 19 62.160 9.438 -20.001 1.00 8.69 H ATOM 299 CD2 TRP A 19 61.783 9.233 -23.245 1.00 8.69 C ATOM 300 NE1 TRP A 19 61.830 10.813 -21.650 1.00 8.69 N ATOM 301 HE1 TRP A 19 61.773 11.683 -21.141 1.00 8.69 H ATOM 302 CE2 TRP A 19 61.672 10.632 -22.995 1.00 8.69 C ATOM 303 CE3 TRP A 19 61.649 8.768 -24.570 1.00 8.69 C ATOM 304 HE3 TRP A 19 61.735 7.714 -24.790 1.00 8.69 H ATOM 305 CZ2 TRP A 19 61.417 11.564 -24.022 1.00 8.69 C ATOM 306 HZ2 TRP A 19 61.329 12.618 -23.803 1.00 8.69 H ATOM 307 CZ3 TRP A 19 61.397 9.704 -25.609 1.00 8.69 C ATOM 308 HZ3 TRP A 19 61.295 9.359 -26.628 1.00 8.69 H ATOM 309 CH2 TRP A 19 61.279 11.095 -25.317 1.00 8.69 C ATOM 310 HH2 TRP A 19 61.088 11.793 -26.119 1.00 8.69 H ATOM 311 N GLY A 20 61.088 4.571 -20.102 1.00 3.26 N ATOM 312 H GLY A 20 61.100 5.294 -19.377 1.00 3.26 H ATOM 313 CA GLY A 20 61.216 3.168 -19.734 1.00 3.26 C ATOM 314 1HA GLY A 20 61.962 2.694 -20.374 1.00 3.26 H ATOM 315 2HA GLY A 20 61.535 3.092 -18.695 1.00 3.26 H ATOM 316 C GLY A 20 59.900 2.436 -19.903 1.00 3.26 C ATOM 317 O GLY A 20 59.774 1.489 -20.681 1.00 3.26 O ATOM 318 N THR A 21 58.873 2.928 -19.229 1.00 -6.02 N ATOM 319 H THR A 21 59.016 3.712 -18.579 1.00 -6.02 H ATOM 320 CA THR A 21 57.529 2.368 -19.356 1.00 -6.02 C ATOM 321 HA THR A 21 57.572 1.297 -19.162 1.00 -6.02 H ATOM 322 C THR A 21 57.017 2.593 -20.773 1.00 -6.02 C ATOM 323 O THR A 21 56.304 1.756 -21.321 1.00 -6.02 O ATOM 324 CB THR A 21 56.562 3.019 -18.338 1.00 -6.02 C ATOM 325 HB THR A 21 56.391 4.060 -18.610 1.00 -6.02 H ATOM 326 OG1 THR A 21 57.154 2.966 -17.038 1.00 -6.02 O ATOM 327 HG1 THR A 21 57.792 3.694 -16.960 1.00 -6.02 H ATOM 328 CG2 THR A 21 55.231 2.292 -18.244 1.00 -6.02 C ATOM 329 1HG2 THR A 21 54.621 2.768 -17.476 1.00 -6.02 H ATOM 330 2HG2 THR A 21 55.401 1.252 -17.966 1.00 -6.02 H ATOM 331 3HG2 THR A 21 54.707 2.333 -19.197 1.00 -6.02 H ATOM 332 N ALA A 22 57.416 3.695 -21.396 1.00 -0.43 N ATOM 333 H ALA A 22 58.020 4.344 -20.920 1.00 -0.43 H ATOM 334 CA ALA A 22 56.994 3.964 -22.767 1.00 -0.43 C ATOM 335 HA ALA A 22 55.907 3.912 -22.804 1.00 -0.43 H ATOM 336 C ALA A 22 57.519 2.894 -23.720 1.00 -0.43 C ATOM 337 O ALA A 22 56.743 2.347 -24.495 1.00 -0.43 O ATOM 338 CB ALA A 22 57.428 5.360 -23.215 1.00 -0.43 C ATOM 339 1HB ALA A 22 57.088 6.103 -22.495 1.00 -0.43 H ATOM 340 2HB ALA A 22 56.973 5.577 -24.184 1.00 -0.43 H ATOM 341 3HB ALA A 22 58.510 5.401 -23.317 1.00 -0.43 H ATOM 342 N GLN A 23 58.801 2.562 -23.648 1.00-17.86 N ATOM 343 H GLN A 23 59.433 3.035 -23.005 1.00-17.86 H ATOM 344 CA GLN A 23 59.341 1.524 -24.519 1.00-17.86 C ATOM 345 HA GLN A 23 59.101 1.786 -25.549 1.00-17.86 H ATOM 346 C GLN A 23 58.692 0.185 -24.211 1.00-17.86 C ATOM 347 O GLN A 23 58.341 -0.532 -25.128 1.00-17.86 O ATOM 348 CB GLN A 23 60.863 1.410 -24.392 1.00-17.86 C ATOM 349 1HB GLN A 23 61.292 2.402 -24.526 1.00-17.86 H ATOM 350 2HB GLN A 23 61.113 1.057 -23.392 1.00-17.86 H ATOM 351 CG GLN A 23 61.490 0.464 -25.424 1.00-17.86 C ATOM 352 1HG GLN A 23 62.569 0.442 -25.279 1.00-17.86 H ATOM 353 2HG GLN A 23 61.104 -0.542 -25.270 1.00-17.86 H ATOM 354 CD GLN A 23 61.193 0.879 -26.854 1.00-17.86 C ATOM 355 OE1 GLN A 23 61.380 2.030 -27.230 1.00-17.86 O ATOM 356 NE2 GLN A 23 60.720 -0.034 -27.655 1.00-17.86 N ATOM 357 1HE2 GLN A 23 60.511 0.214 -28.600 1.00-17.86 H ATOM 358 2HE2 GLN A 23 60.554 -0.989 -27.319 1.00-17.86 H ATOM 359 N GLY A 24 58.452 -0.123 -22.943 1.00 -4.79 N ATOM 360 H GLY A 24 58.742 0.504 -22.199 1.00 -4.79 H ATOM 361 CA GLY A 24 57.795 -1.380 -22.616 1.00 -4.79 C ATOM 362 1HA GLY A 24 58.398 -2.198 -23.014 1.00 -4.79 H ATOM 363 2HA GLY A 24 57.731 -1.485 -21.534 1.00 -4.79 H ATOM 364 C GLY A 24 56.403 -1.496 -23.213 1.00 -4.79 C ATOM 365 O GLY A 24 55.995 -2.565 -23.654 1.00 -4.79 O ATOM 366 N CYS A 25 55.666 -0.398 -23.280 1.00 1.39 N ATOM 367 H CYS A 25 56.028 0.476 -22.911 1.00 1.39 H ATOM 368 CA CYS A 25 54.344 -0.422 -23.899 1.00 1.39 C ATOM 369 HA CYS A 25 53.786 -1.277 -23.517 1.00 1.39 H ATOM 370 C CYS A 25 54.459 -0.571 -25.417 1.00 1.39 C ATOM 371 O CYS A 25 53.703 -1.323 -26.031 1.00 1.39 O ATOM 372 CB CYS A 25 53.585 0.858 -23.554 1.00 1.39 C ATOM 373 1HB CYS A 25 54.159 1.716 -23.908 1.00 1.39 H ATOM 374 2HB CYS A 25 52.632 0.845 -24.085 1.00 1.39 H ATOM 375 SG CYS A 25 53.268 1.040 -21.782 1.00 1.39 S ATOM 376 HG CYS A 25 54.558 1.103 -21.415 1.00 1.39 H ATOM 377 N ILE A 26 55.435 0.098 -26.014 1.00 -3.06 N ATOM 378 H ILE A 26 56.037 0.704 -25.462 1.00 -3.06 H ATOM 379 CA ILE A 26 55.693 -0.019 -27.451 1.00 -3.06 C ATOM 380 HA ILE A 26 54.774 0.198 -27.996 1.00 -3.06 H ATOM 381 C ILE A 26 56.090 -1.459 -27.768 1.00 -3.06 C ATOM 382 O ILE A 26 55.622 -2.015 -28.751 1.00 -3.06 O ATOM 383 CB ILE A 26 56.800 0.983 -27.916 1.00 -3.06 C ATOM 384 HB ILE A 26 57.674 0.847 -27.281 1.00 -3.06 H ATOM 385 CG1 ILE A 26 56.290 2.430 -27.762 1.00 -3.06 C ATOM 386 1HG1 ILE A 26 55.569 2.628 -28.556 1.00 -3.06 H ATOM 387 2HG1 ILE A 26 55.763 2.524 -26.816 1.00 -3.06 H ATOM 388 CG2 ILE A 26 57.225 0.733 -29.390 1.00 -3.06 C ATOM 389 1HG2 ILE A 26 57.973 1.461 -29.699 1.00 -3.06 H ATOM 390 2HG2 ILE A 26 56.358 0.794 -30.050 1.00 -3.06 H ATOM 391 3HG2 ILE A 26 57.671 -0.259 -29.480 1.00 -3.06 H ATOM 392 CD1 ILE A 26 57.375 3.520 -27.796 1.00 -3.06 C ATOM 393 1HD1 ILE A 26 56.920 4.489 -27.595 1.00 -3.06 H ATOM 394 2HD1 ILE A 26 57.854 3.548 -28.775 1.00 -3.06 H ATOM 395 3HD1 ILE A 26 58.127 3.316 -27.033 1.00 -3.06 H ATOM 396 N ASP A 27 56.886 -2.099 -26.928 1.00-15.35 N ATOM 397 H ASP A 27 57.263 -1.603 -26.119 1.00-15.35 H ATOM 398 CA ASP A 27 57.311 -3.483 -27.150 1.00-15.35 C ATOM 399 HA ASP A 27 57.810 -3.548 -28.116 1.00-15.35 H ATOM 400 C ASP A 27 56.119 -4.437 -27.172 1.00-15.35 C ATOM 401 O ASP A 27 56.078 -5.369 -27.977 1.00-15.35 O ATOM 402 CB ASP A 27 58.291 -3.936 -26.060 1.00-15.35 C ATOM 403 1HB ASP A 27 57.846 -3.753 -25.084 1.00-15.35 H ATOM 404 2HB ASP A 27 58.461 -5.008 -26.166 1.00-15.35 H ATOM 405 CG ASP A 27 59.635 -3.227 -26.136 1.00-15.35 C ATOM 406 OD1 ASP A 27 60.052 -2.814 -27.243 1.00-15.35 O ATOM 407 OD2 ASP A 27 60.297 -3.096 -25.084 1.00-15.35 O ATOM 408 N VAL A 28 55.108 -4.185 -26.350 1.00-23.28 N ATOM 409 H VAL A 28 55.181 -3.414 -25.692 1.00-23.28 H ATOM 410 CA VAL A 28 53.879 -4.987 -26.390 1.00-23.28 C ATOM 411 HA VAL A 28 54.151 -6.040 -26.337 1.00-23.28 H ATOM 412 C VAL A 28 53.159 -4.766 -27.722 1.00-23.28 C ATOM 413 O VAL A 28 52.681 -5.724 -28.333 1.00-23.28 O ATOM 414 CB VAL A 28 52.934 -4.664 -25.189 1.00-23.28 C ATOM 415 HB VAL A 28 52.726 -3.596 -25.181 1.00-23.28 H ATOM 416 CG1 VAL A 28 51.592 -5.415 -25.286 1.00-23.28 C ATOM 417 1HG1 VAL A 28 50.987 -5.208 -24.403 1.00-23.28 H ATOM 418 2HG1 VAL A 28 51.765 -6.490 -25.365 1.00-23.28 H ATOM 419 3HG1 VAL A 28 51.040 -5.078 -26.164 1.00-23.28 H ATOM 420 CG2 VAL A 28 53.606 -5.046 -23.862 1.00-23.28 C ATOM 421 1HG2 VAL A 28 52.966 -4.758 -23.029 1.00-23.28 H ATOM 422 2HG2 VAL A 28 54.556 -4.528 -23.756 1.00-23.28 H ATOM 423 3HG2 VAL A 28 53.790 -6.121 -23.827 1.00-23.28 H ATOM 424 N VAL A 29 53.120 -3.540 -28.224 1.00-14.06 N ATOM 425 H VAL A 29 53.541 -2.771 -27.708 1.00-14.06 H ATOM 426 CA VAL A 29 52.500 -3.273 -29.529 1.00-14.06 C ATOM 427 HA VAL A 29 51.499 -3.701 -29.525 1.00-14.06 H ATOM 428 C VAL A 29 53.295 -3.966 -30.639 1.00-14.06 C ATOM 429 O VAL A 29 52.705 -4.576 -31.527 1.00-14.06 O ATOM 430 CB VAL A 29 52.380 -1.743 -29.814 1.00-14.06 C ATOM 431 HB VAL A 29 53.371 -1.296 -29.783 1.00-14.06 H ATOM 432 CG1 VAL A 29 51.771 -1.463 -31.201 1.00-14.06 C ATOM 433 1HG1 VAL A 29 51.657 -0.389 -31.344 1.00-14.06 H ATOM 434 2HG1 VAL A 29 50.798 -1.948 -31.290 1.00-14.06 H ATOM 435 3HG1 VAL A 29 52.432 -1.844 -31.980 1.00-14.06 H ATOM 436 CG2 VAL A 29 51.506 -1.063 -28.747 1.00-14.06 C ATOM 437 1HG2 VAL A 29 51.444 0.007 -28.947 1.00-14.06 H ATOM 438 2HG2 VAL A 29 51.944 -1.193 -27.760 1.00-14.06 H ATOM 439 3HG2 VAL A 29 50.503 -1.491 -28.749 1.00-14.06 H ATOM 440 N ILE A 30 54.619 -3.944 -30.580 1.00-10.92 N ATOM 441 H ILE A 30 55.077 -3.428 -29.825 1.00-10.92 H ATOM 442 CA ILE A 30 55.444 -4.636 -31.576 1.00-10.92 C ATOM 443 HA ILE A 30 55.139 -4.313 -32.569 1.00-10.92 H ATOM 444 C ILE A 30 55.183 -6.141 -31.499 1.00-10.92 C ATOM 445 O ILE A 30 54.998 -6.783 -32.531 1.00-10.92 O ATOM 446 CB ILE A 30 56.966 -4.322 -31.391 1.00-10.92 C ATOM 447 HB ILE A 30 57.242 -4.571 -30.367 1.00-10.92 H ATOM 448 CG1 ILE A 30 57.263 -2.821 -31.615 1.00-10.92 C ATOM 449 1HG1 ILE A 30 56.704 -2.243 -30.890 1.00-10.92 H ATOM 450 2HG1 ILE A 30 58.320 -2.657 -31.407 1.00-10.92 H ATOM 451 CG2 ILE A 30 57.849 -5.177 -32.338 1.00-10.92 C ATOM 452 1HG2 ILE A 30 58.890 -4.858 -32.264 1.00-10.92 H ATOM 453 2HG2 ILE A 30 57.511 -5.083 -33.371 1.00-10.92 H ATOM 454 3HG2 ILE A 30 57.795 -6.226 -32.045 1.00-10.92 H ATOM 455 CD1 ILE A 30 56.956 -2.228 -33.010 1.00-10.92 C ATOM 456 1HD1 ILE A 30 57.232 -1.173 -33.014 1.00-10.92 H ATOM 457 2HD1 ILE A 30 55.893 -2.310 -33.231 1.00-10.92 H ATOM 458 3HD1 ILE A 30 57.533 -2.742 -33.779 1.00-10.92 H ATOM 459 N GLY A 31 55.085 -6.708 -30.305 1.00 1.81 N ATOM 460 H GLY A 31 55.253 -6.156 -29.460 1.00 1.81 H ATOM 461 CA GLY A 31 54.755 -8.120 -30.178 1.00 1.81 C ATOM 462 1HA GLY A 31 55.496 -8.706 -30.720 1.00 1.81 H ATOM 463 2HA GLY A 31 54.785 -8.400 -29.125 1.00 1.81 H ATOM 464 C GLY A 31 53.382 -8.452 -30.734 1.00 1.81 C ATOM 465 O GLY A 31 53.205 -9.450 -31.436 1.00 1.81 O ATOM 466 N GLN A 32 52.407 -7.592 -30.480 1.00 -8.64 N ATOM 467 H GLN A 32 52.593 -6.783 -29.884 1.00 -8.64 H ATOM 468 CA GLN A 32 51.062 -7.776 -31.017 1.00 -8.64 C ATOM 469 HA GLN A 32 50.706 -8.764 -30.723 1.00 -8.64 H ATOM 470 C GLN A 32 51.071 -7.713 -32.543 1.00 -8.64 C ATOM 471 O GLN A 32 50.419 -8.524 -33.199 1.00 -8.64 O ATOM 472 CB GLN A 32 50.112 -6.716 -30.445 1.00 -8.64 C ATOM 473 1HB GLN A 32 50.167 -6.759 -29.357 1.00 -8.64 H ATOM 474 2HB GLN A 32 50.449 -5.731 -30.765 1.00 -8.64 H ATOM 475 CG GLN A 32 48.654 -6.883 -30.869 1.00 -8.64 C ATOM 476 1HG GLN A 32 48.063 -6.078 -30.434 1.00 -8.64 H ATOM 477 2HG GLN A 32 48.589 -6.806 -31.953 1.00 -8.64 H ATOM 478 CD GLN A 32 48.064 -8.210 -30.441 1.00 -8.64 C ATOM 479 OE1 GLN A 32 47.913 -8.490 -29.267 1.00 -8.64 O ATOM 480 NE2 GLN A 32 47.737 -9.044 -31.393 1.00 -8.64 N ATOM 481 1HE2 GLN A 32 47.319 -9.920 -31.131 1.00 -8.64 H ATOM 482 2HE2 GLN A 32 47.921 -8.813 -32.354 1.00 -8.64 H ATOM 483 N LEU A 33 51.819 -6.788 -33.127 1.00-10.29 N ATOM 484 H LEU A 33 52.326 -6.114 -32.548 1.00-10.29 H ATOM 485 CA LEU A 33 51.932 -6.696 -34.584 1.00-10.29 C ATOM 486 HA LEU A 33 50.935 -6.672 -35.019 1.00-10.29 H ATOM 487 C LEU A 33 52.659 -7.909 -35.154 1.00-10.29 C ATOM 488 O LEU A 33 52.325 -8.377 -36.240 1.00-10.29 O ATOM 489 CB LEU A 33 52.689 -5.424 -34.981 1.00-10.29 C ATOM 490 1HB LEU A 33 53.617 -5.400 -34.412 1.00-10.29 H ATOM 491 2HB LEU A 33 52.952 -5.507 -36.034 1.00-10.29 H ATOM 492 CG LEU A 33 51.966 -4.083 -34.784 1.00-10.29 C ATOM 493 HG LEU A 33 51.593 -4.026 -33.765 1.00-10.29 H ATOM 494 CD1 LEU A 33 52.953 -2.939 -34.993 1.00-10.29 C ATOM 495 1HD1 LEU A 33 52.451 -1.985 -34.829 1.00-10.29 H ATOM 496 2HD1 LEU A 33 53.359 -2.965 -36.006 1.00-10.29 H ATOM 497 3HD1 LEU A 33 53.769 -3.026 -34.274 1.00-10.29 H ATOM 498 CD2 LEU A 33 50.777 -3.914 -35.734 1.00-10.29 C ATOM 499 1HD2 LEU A 33 50.316 -2.939 -35.574 1.00-10.29 H ATOM 500 2HD2 LEU A 33 50.031 -4.682 -35.536 1.00-10.29 H ATOM 501 3HD2 LEU A 33 51.106 -3.989 -36.771 1.00-10.29 H ATOM 502 N GLY A 34 53.605 -8.451 -34.402 1.00 1.41 N ATOM 503 H GLY A 34 53.854 -8.017 -33.514 1.00 1.41 H ATOM 504 CA GLY A 34 54.334 -9.639 -34.818 1.00 1.41 C ATOM 505 1HA GLY A 34 54.801 -9.443 -35.783 1.00 1.41 H ATOM 506 2HA GLY A 34 55.117 -9.847 -34.088 1.00 1.41 H ATOM 507 C GLY A 34 53.466 -10.873 -34.963 1.00 1.41 C ATOM 508 O GLY A 34 53.780 -11.745 -35.761 1.00 1.41 O ATOM 509 N GLY A 35 52.345 -10.930 -34.255 1.00 0.08 N ATOM 510 H GLY A 35 52.164 -10.221 -33.554 1.00 0.08 H ATOM 511 CA GLY A 35 51.364 -11.982 -34.494 1.00 0.08 C ATOM 512 1HA GLY A 35 51.855 -12.862 -34.910 1.00 0.08 H ATOM 513 2HA GLY A 35 50.906 -12.259 -33.545 1.00 0.08 H ATOM 514 C GLY A 35 50.265 -11.539 -35.445 1.00 0.08 C ATOM 515 O GLY A 35 49.770 -12.298 -36.280 1.00 0.08 O ATOM 516 N GLY A 36 49.862 -10.284 -35.316 1.00 13.81 N ATOM 517 H GLY A 36 50.307 -9.679 -34.631 1.00 13.81 H ATOM 518 CA GLY A 36 48.746 -9.757 -36.080 1.00 13.81 C ATOM 519 1HA GLY A 36 47.897 -10.428 -35.951 1.00 13.81 H ATOM 520 2HA GLY A 36 48.474 -8.785 -35.671 1.00 13.81 H ATOM 521 C GLY A 36 48.977 -9.591 -37.565 1.00 13.81 C ATOM 522 O GLY A 36 48.083 -9.904 -38.338 1.00 13.81 O ATOM 523 N ILE A 37 50.144 -9.136 -37.994 1.00 14.30 N ATOM 524 H ILE A 37 50.884 -8.900 -37.332 1.00 14.30 H ATOM 525 CA ILE A 37 50.399 -8.976 -39.428 1.00 14.30 C ATOM 526 HA ILE A 37 49.539 -8.460 -39.852 1.00 14.30 H ATOM 527 C ILE A 37 50.472 -10.346 -40.127 1.00 14.30 C ATOM 528 O ILE A 37 49.763 -10.548 -41.114 1.00 14.30 O ATOM 529 CB ILE A 37 51.654 -8.088 -39.722 1.00 14.30 C ATOM 530 HB ILE A 37 52.529 -8.553 -39.272 1.00 14.30 H ATOM 531 CG1 ILE A 37 51.469 -6.688 -39.095 1.00 14.30 C ATOM 532 1HG1 ILE A 37 50.681 -6.166 -39.639 1.00 14.30 H ATOM 533 2HG1 ILE A 37 51.142 -6.796 -38.063 1.00 14.30 H ATOM 534 CG2 ILE A 37 51.895 -7.961 -41.251 1.00 14.30 C ATOM 535 1HG2 ILE A 37 52.793 -7.376 -41.448 1.00 14.30 H ATOM 536 2HG2 ILE A 37 51.040 -7.479 -41.730 1.00 14.30 H ATOM 537 3HG2 ILE A 37 52.037 -8.947 -41.696 1.00 14.30 H ATOM 538 CD1 ILE A 37 52.724 -5.801 -39.081 1.00 14.30 C ATOM 539 1HD1 ILE A 37 52.505 -4.876 -38.549 1.00 14.30 H ATOM 540 2HD1 ILE A 37 53.029 -5.555 -40.098 1.00 14.30 H ATOM 541 3HD1 ILE A 37 53.538 -6.320 -38.571 1.00 14.30 H ATOM 542 N PRO A 38 51.281 -11.312 -39.638 1.00 3.27 N ATOM 543 CA PRO A 38 51.180 -12.590 -40.361 1.00 3.27 C ATOM 544 HA PRO A 38 51.440 -12.441 -41.409 1.00 3.27 H ATOM 545 C PRO A 38 49.828 -13.302 -40.273 1.00 3.27 C ATOM 546 O PRO A 38 49.469 -14.039 -41.184 1.00 3.27 O ATOM 547 CB PRO A 38 52.245 -13.460 -39.681 1.00 3.27 C ATOM 548 1HB PRO A 38 51.789 -14.067 -38.898 1.00 3.27 H ATOM 549 2HB PRO A 38 52.749 -14.094 -40.409 1.00 3.27 H ATOM 550 CG PRO A 38 53.190 -12.493 -39.085 1.00 3.27 C ATOM 551 1HG PRO A 38 53.764 -12.951 -38.280 1.00 3.27 H ATOM 552 2HG PRO A 38 53.851 -12.092 -39.854 1.00 3.27 H ATOM 553 CD PRO A 38 52.288 -11.421 -38.565 1.00 3.27 C ATOM 554 1HD PRO A 38 51.822 -11.732 -37.632 1.00 3.27 H ATOM 555 2HD PRO A 38 52.840 -10.493 -38.430 1.00 3.27 H ATOM 556 N GLY A 39 49.086 -13.113 -39.187 1.00 16.19 N ATOM 557 H GLY A 39 49.420 -12.534 -38.425 1.00 16.19 H ATOM 558 CA GLY A 39 47.799 -13.778 -39.055 1.00 16.19 C ATOM 559 1HA GLY A 39 47.898 -14.805 -39.408 1.00 16.19 H ATOM 560 2HA GLY A 39 47.525 -13.806 -38.001 1.00 16.19 H ATOM 561 C GLY A 39 46.665 -13.125 -39.824 1.00 16.19 C ATOM 562 O GLY A 39 45.827 -13.810 -40.407 1.00 16.19 O ATOM 563 N LYS A 40 46.609 -11.799 -39.818 1.00 13.46 N ATOM 564 H LYS A 40 47.314 -11.269 -39.303 1.00 13.46 H ATOM 565 CA LYS A 40 45.558 -11.044 -40.510 1.00 13.46 C ATOM 566 HA LYS A 40 45.344 -11.559 -41.447 1.00 13.46 H ATOM 567 C LYS A 40 46.039 -9.625 -40.832 1.00 13.46 C ATOM 568 O LYS A 40 45.493 -8.632 -40.357 1.00 13.46 O ATOM 569 CB LYS A 40 44.272 -11.023 -39.666 1.00 13.46 C ATOM 570 1HB LYS A 40 44.083 -12.031 -39.299 1.00 13.46 H ATOM 571 2HB LYS A 40 44.422 -10.371 -38.804 1.00 13.46 H ATOM 572 CG LYS A 40 43.035 -10.568 -40.440 1.00 13.46 C ATOM 573 1HG LYS A 40 43.232 -9.587 -40.856 1.00 13.46 H ATOM 574 2HG LYS A 40 42.846 -11.262 -41.259 1.00 13.46 H ATOM 575 CD LYS A 40 41.801 -10.486 -39.553 1.00 13.46 C ATOM 576 1HD LYS A 40 41.572 -11.482 -39.171 1.00 13.46 H ATOM 577 2HD LYS A 40 42.007 -9.823 -38.712 1.00 13.46 H ATOM 578 CE LYS A 40 40.598 -9.949 -40.330 1.00 13.46 C ATOM 579 1HE LYS A 40 40.435 -10.573 -41.211 1.00 13.46 H ATOM 580 2HE LYS A 40 39.710 -10.001 -39.696 1.00 13.46 H ATOM 581 NZ LYS A 40 40.812 -8.527 -40.759 1.00 13.46 N ATOM 582 1HZ LYS A 40 40.052 -8.206 -41.359 1.00 13.46 H ATOM 583 2HZ LYS A 40 41.665 -8.449 -41.309 1.00 13.46 H ATOM 584 3HZ LYS A 40 40.883 -7.918 -39.958 1.00 13.46 H ATOM 585 N GLY A 41 47.059 -9.514 -41.666 1.00 21.60 N ATOM 586 H GLY A 41 47.521 -10.348 -42.008 1.00 21.60 H ATOM 587 CA GLY A 41 47.590 -8.216 -42.071 1.00 21.60 C ATOM 588 1HA GLY A 41 47.652 -7.577 -41.190 1.00 21.60 H ATOM 589 2HA GLY A 41 48.601 -8.364 -42.452 1.00 21.60 H ATOM 590 C GLY A 41 46.792 -7.474 -43.129 1.00 21.60 C ATOM 591 O GLY A 41 47.344 -6.727 -43.929 1.00 21.60 O ATOM 592 N LYS A 42 45.486 -7.697 -43.157 1.00 1.95 N ATOM 593 H LYS A 42 45.078 -8.279 -42.434 1.00 1.95 H ATOM 594 CA LYS A 42 44.575 -7.100 -44.132 1.00 1.95 C ATOM 595 HA LYS A 42 44.966 -6.139 -44.469 1.00 1.95 H ATOM 596 C LYS A 42 43.279 -6.899 -43.362 1.00 1.95 C ATOM 597 O LYS A 42 42.863 -7.813 -42.652 1.00 1.95 O ATOM 598 CB LYS A 42 44.409 -8.059 -45.325 1.00 1.95 C ATOM 599 1HB LYS A 42 45.401 -8.232 -45.743 1.00 1.95 H ATOM 600 2HB LYS A 42 44.030 -9.015 -44.963 1.00 1.95 H ATOM 601 CG LYS A 42 43.503 -7.570 -46.459 1.00 1.95 C ATOM 602 1HG LYS A 42 43.535 -6.481 -46.492 1.00 1.95 H ATOM 603 2HG LYS A 42 43.878 -7.960 -47.406 1.00 1.95 H ATOM 604 CD LYS A 42 42.058 -8.037 -46.284 1.00 1.95 C ATOM 605 1HD LYS A 42 42.014 -9.125 -46.326 1.00 1.95 H ATOM 606 2HD LYS A 42 41.706 -7.720 -45.307 1.00 1.95 H ATOM 607 CE LYS A 42 41.137 -7.441 -47.342 1.00 1.95 C ATOM 608 1HE LYS A 42 41.361 -6.376 -47.443 1.00 1.95 H ATOM 609 2HE LYS A 42 41.304 -7.936 -48.300 1.00 1.95 H ATOM 610 NZ LYS A 42 39.703 -7.586 -46.911 1.00 1.95 N ATOM 611 1HZ LYS A 42 39.085 -7.196 -47.607 1.00 1.95 H ATOM 612 2HZ LYS A 42 39.573 -7.067 -46.038 1.00 1.95 H ATOM 613 3HZ LYS A 42 39.477 -8.556 -46.750 1.00 1.95 H ATOM 614 N CYS A 43 42.660 -5.734 -43.482 1.00-43.60 N ATOM 615 H CYS A 43 43.064 -5.006 -44.046 1.00-43.60 H ATOM 616 CA CYS A 43 41.382 -5.459 -42.825 1.00-43.60 C ATOM 617 HA CYS A 43 41.442 -5.779 -41.787 1.00-43.60 H ATOM 618 C CYS A 43 40.241 -6.214 -43.500 1.00-43.60 C ATOM 619 O CYS A 43 39.990 -5.924 -44.685 1.00-43.60 O ATOM 620 OXT CYS A 43 39.657 -7.119 -42.877 1.00-43.60 O ATOM 621 CB CYS A 43 41.112 -3.955 -42.873 1.00-43.60 C ATOM 622 1HB CYS A 43 40.932 -3.664 -43.910 1.00-43.60 H ATOM 623 2HB CYS A 43 40.209 -3.741 -42.298 1.00-43.60 H ATOM 624 SG CYS A 43 42.501 -2.999 -42.215 1.00-43.60 S ATOM 625 HG CYS A 43 41.937 -1.791 -42.335 1.00-43.60 H TER 626 CYS A 43 CONECT 155 152 234 CONECT 234 155 231 END
SEQUENCE	TKYYGNGVYCNSKKCWVDWGTAQGCIDVVIGQLGGGIPGKGKC
HELICITY	37.20	INSTAB. INDEX	-3.74	FLEXIBILITY	16.64
a HYD. MOM.	67.64	b HYD. MOM.	27.00	c HYD. MOM	4.60
a MEAN HYD. MOM.	1.57	b MEAN HYD. MOM.	0.63	c MEAN HYD. MOM.	0.11
CHARGE pH5	3.14	CHARGE pH7	2.82	CHARGE pH9	-0.89
Δ CHARGE pH5-pH9	4.03	ISOELECTRIC POINT	8.80	BOMAN INDEX	0.50
ΔG	25	CPP	-0,41	MLP	-15,39
MOLECULAR VOLUME		POLARITY
MIC E. coli		MIC P. aeruginosa		MIC S. typhimurium
MIC S. aureus		MIC M. luteus		MIC B. subtilis
MIC C. albicans		OTHER
MIC OTHER gram+
MIC OTHER gram-
PHYLUM	Firmicutes	CLASS	Bacilli	ORDER	Lactobacillales
FAMILY	Carnobacteriaceae	GENUS	Carnobacterium	SPECIES	Carnobacterium divergens
DATE	2004
TITLE PAPER	Purification, characterization and amino acid sequencing of divergicin M35: a novel class IIa bacteriocin produced by Carnobacterium divergens M35