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ID	2471	NAME	Divercin V41   Blast NCBI-PROT
LENGTH	43	DISULFIDE BRIDGE	2		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\TKYYGNGVYCNSKKCWVDWGQASGCIGQTVVGGWLGGAIPGKC.pdb REMARK YASARA Written on: Wed May 14 20:09:53 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 617 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 GLN ALA SER GLY CYS ILE SEQRES 3 A 43 GLY GLN THR VAL VAL GLY GLY TRP LEU GLY GLY ALA ILE SEQRES 4 A 43 PRO 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 40.343 31.389 30.538 1.00-21.01 N ATOM 2 1H THR A 1 39.649 31.039 31.183 1.00-21.01 H ATOM 3 2H THR A 1 41.105 31.810 31.049 1.00-21.01 H ATOM 4 3H THR A 1 40.696 30.621 29.983 1.00-21.01 H ATOM 5 CA THR A 1 39.723 32.394 29.633 1.00-21.01 C ATOM 6 HA THR A 1 39.360 33.247 30.204 1.00-21.01 H ATOM 7 C THR A 1 38.571 31.747 28.902 1.00-21.01 C ATOM 8 O THR A 1 38.408 30.547 29.050 1.00-21.01 O ATOM 9 CB THR A 1 40.756 32.862 28.595 1.00-21.01 C ATOM 10 HB THR A 1 40.257 33.459 27.833 1.00-21.01 H ATOM 11 OG1 THR A 1 41.345 31.709 27.997 1.00-21.01 O ATOM 12 HG1 THR A 1 41.502 31.899 27.055 1.00-21.01 H ATOM 13 CG2 THR A 1 41.876 33.681 29.215 1.00-21.01 C ATOM 14 1HG2 THR A 1 42.520 34.054 28.415 1.00-21.01 H ATOM 15 2HG2 THR A 1 42.485 33.069 29.881 1.00-21.01 H ATOM 16 3HG2 THR A 1 41.473 34.537 29.758 1.00-21.01 H ATOM 17 N LYS A 2 37.785 32.488 28.124 1.00 -2.07 N ATOM 18 H LYS A 2 37.870 33.494 28.116 1.00 -2.07 H ATOM 19 CA LYS A 2 36.818 31.864 27.208 1.00 -2.07 C ATOM 20 HA LYS A 2 36.544 30.868 27.568 1.00 -2.07 H ATOM 21 C LYS A 2 37.382 31.683 25.806 1.00 -2.07 C ATOM 22 O LYS A 2 36.854 30.904 25.041 1.00 -2.07 O ATOM 23 CB LYS A 2 35.536 32.692 27.076 1.00 -2.07 C ATOM 24 1HB LYS A 2 35.795 33.724 26.839 1.00 -2.07 H ATOM 25 2HB LYS A 2 34.968 32.286 26.238 1.00 -2.07 H ATOM 26 CG LYS A 2 34.628 32.659 28.295 1.00 -2.07 C ATOM 27 1HG LYS A 2 34.431 31.620 28.561 1.00 -2.07 H ATOM 28 2HG LYS A 2 35.111 33.162 29.133 1.00 -2.07 H ATOM 29 CD LYS A 2 33.305 33.344 27.970 1.00 -2.07 C ATOM 30 1HD LYS A 2 33.497 34.382 27.695 1.00 -2.07 H ATOM 31 2HD LYS A 2 32.849 32.831 27.122 1.00 -2.07 H ATOM 32 CE LYS A 2 32.336 33.299 29.148 1.00 -2.07 C ATOM 33 1HE LYS A 2 32.162 32.256 29.422 1.00 -2.07 H ATOM 34 2HE LYS A 2 32.780 33.817 30.001 1.00 -2.07 H ATOM 35 NZ LYS A 2 31.025 33.946 28.792 1.00 -2.07 N ATOM 36 1HZ LYS A 2 30.371 33.849 29.557 1.00 -2.07 H ATOM 37 2HZ LYS A 2 30.637 33.502 27.962 1.00 -2.07 H ATOM 38 3HZ LYS A 2 31.165 34.928 28.598 1.00 -2.07 H ATOM 39 N TYR A 3 38.416 32.437 25.466 1.00 4.50 N ATOM 40 H TYR A 3 38.831 33.051 26.137 1.00 4.50 H ATOM 41 CA TYR A 3 39.012 32.423 24.131 1.00 4.50 C ATOM 42 HA TYR A 3 38.478 31.736 23.474 1.00 4.50 H ATOM 43 C TYR A 3 40.450 31.961 24.309 1.00 4.50 C ATOM 44 O TYR A 3 41.084 32.351 25.296 1.00 4.50 O ATOM 45 CB TYR A 3 38.956 33.836 23.546 1.00 4.50 C ATOM 46 1HB TYR A 3 37.921 34.179 23.582 1.00 4.50 H ATOM 47 2HB TYR A 3 39.558 34.501 24.165 1.00 4.50 H ATOM 48 CG TYR A 3 39.428 33.934 22.112 1.00 4.50 C ATOM 49 CD1 TYR A 3 38.543 33.660 21.051 1.00 4.50 C ATOM 50 HD1 TYR A 3 37.518 33.399 21.262 1.00 4.50 H ATOM 51 CD2 TYR A 3 40.747 34.327 21.801 1.00 4.50 C ATOM 52 HD2 TYR A 3 41.440 34.574 22.593 1.00 4.50 H ATOM 53 CE1 TYR A 3 38.969 33.738 19.701 1.00 4.50 C ATOM 54 HE1 TYR A 3 38.282 33.506 18.900 1.00 4.50 H ATOM 55 CE2 TYR A 3 41.171 34.425 20.444 1.00 4.50 C ATOM 56 HE2 TYR A 3 42.175 34.740 20.199 1.00 4.50 H ATOM 57 CZ TYR A 3 40.276 34.130 19.414 1.00 4.50 C ATOM 58 OH TYR A 3 40.675 34.243 18.110 1.00 4.50 O ATOM 59 HH TYR A 3 39.947 34.117 17.497 1.00 4.50 H ATOM 60 N TYR A 4 40.948 31.127 23.407 1.00 8.30 N ATOM 61 H TYR A 4 40.380 30.868 22.597 1.00 8.30 H ATOM 62 CA TYR A 4 42.230 30.440 23.581 1.00 8.30 C ATOM 63 HA TYR A 4 42.665 30.759 24.526 1.00 8.30 H ATOM 64 C TYR A 4 43.242 30.767 22.485 1.00 8.30 C ATOM 65 O TYR A 4 44.116 29.976 22.140 1.00 8.30 O ATOM 66 CB TYR A 4 41.964 28.937 23.680 1.00 8.30 C ATOM 67 1HB TYR A 4 41.667 28.565 22.702 1.00 8.30 H ATOM 68 2HB TYR A 4 42.875 28.427 23.993 1.00 8.30 H ATOM 69 CG TYR A 4 40.854 28.649 24.669 1.00 8.30 C ATOM 70 CD1 TYR A 4 39.594 28.202 24.226 1.00 8.30 C ATOM 71 HD1 TYR A 4 39.439 27.990 23.180 1.00 8.30 H ATOM 72 CD2 TYR A 4 41.034 28.887 26.047 1.00 8.30 C ATOM 73 HD2 TYR A 4 42.000 29.201 26.417 1.00 8.30 H ATOM 74 CE1 TYR A 4 38.518 28.045 25.132 1.00 8.30 C ATOM 75 HE1 TYR A 4 37.559 27.704 24.782 1.00 8.30 H ATOM 76 CE2 TYR A 4 39.953 28.740 26.954 1.00 8.30 C ATOM 77 HE2 TYR A 4 40.097 28.933 28.004 1.00 8.30 H ATOM 78 CZ TYR A 4 38.697 28.346 26.480 1.00 8.30 C ATOM 79 OH TYR A 4 37.632 28.268 27.340 1.00 8.30 O ATOM 80 HH TYR A 4 37.856 28.567 28.225 1.00 8.30 H ATOM 81 N GLY A 5 43.119 31.968 21.942 1.00 24.19 N ATOM 82 H GLY A 5 42.312 32.530 22.166 1.00 24.19 H ATOM 83 CA GLY A 5 44.136 32.527 21.064 1.00 24.19 C ATOM 84 1HA GLY A 5 44.084 33.614 21.116 1.00 24.19 H ATOM 85 2HA GLY A 5 45.119 32.221 21.425 1.00 24.19 H ATOM 86 C GLY A 5 44.025 32.120 19.611 1.00 24.19 C ATOM 87 O GLY A 5 43.749 32.949 18.758 1.00 24.19 O ATOM 88 N ASN A 6 44.175 30.835 19.328 1.00 25.48 N ATOM 89 H ASN A 6 44.319 30.189 20.099 1.00 25.48 H ATOM 90 CA ASN A 6 44.155 30.319 17.954 1.00 25.48 C ATOM 91 HA ASN A 6 44.626 31.055 17.299 1.00 25.48 H ATOM 92 C ASN A 6 42.731 30.092 17.441 1.00 25.48 C ATOM 93 O ASN A 6 42.367 28.992 17.038 1.00 25.48 O ATOM 94 CB ASN A 6 44.963 29.015 17.888 1.00 25.48 C ATOM 95 1HB ASN A 6 45.934 29.177 18.353 1.00 25.48 H ATOM 96 2HB ASN A 6 44.436 28.237 18.438 1.00 25.48 H ATOM 97 CG ASN A 6 45.188 28.543 16.470 1.00 25.48 C ATOM 98 OD1 ASN A 6 45.365 29.333 15.566 1.00 25.48 O ATOM 99 ND2 ASN A 6 45.193 27.254 16.269 1.00 25.48 N ATOM 100 1HD2 ASN A 6 45.354 26.925 15.333 1.00 25.48 H ATOM 101 2HD2 ASN A 6 45.027 26.621 17.029 1.00 25.48 H ATOM 102 N GLY A 7 41.885 31.106 17.557 1.00 7.39 N ATOM 103 H GLY A 7 42.228 31.987 17.938 1.00 7.39 H ATOM 104 CA GLY A 7 40.492 31.016 17.141 1.00 7.39 C ATOM 105 1HA GLY A 7 40.104 32.022 17.001 1.00 7.39 H ATOM 106 2HA GLY A 7 40.459 30.515 16.175 1.00 7.39 H ATOM 107 C GLY A 7 39.550 30.269 18.067 1.00 7.39 C ATOM 108 O GLY A 7 38.378 30.618 18.171 1.00 7.39 O ATOM 109 N VAL A 8 40.041 29.225 18.718 1.00 -4.17 N ATOM 110 H VAL A 8 41.013 28.988 18.575 1.00 -4.17 H ATOM 111 CA VAL A 8 39.235 28.363 19.580 1.00 -4.17 C ATOM 112 HA VAL A 8 38.423 27.949 18.988 1.00 -4.17 H ATOM 113 C VAL A 8 38.644 29.163 20.736 1.00 -4.17 C ATOM 114 O VAL A 8 39.350 29.950 21.377 1.00 -4.17 O ATOM 115 CB VAL A 8 40.083 27.184 20.155 1.00 -4.17 C ATOM 116 HB VAL A 8 40.777 27.584 20.891 1.00 -4.17 H ATOM 117 CG1 VAL A 8 39.191 26.126 20.834 1.00 -4.17 C ATOM 118 1HG1 VAL A 8 39.808 25.320 21.231 1.00 -4.17 H ATOM 119 2HG1 VAL A 8 38.481 25.713 20.114 1.00 -4.17 H ATOM 120 3HG1 VAL A 8 38.636 26.568 21.661 1.00 -4.17 H ATOM 121 CG2 VAL A 8 40.921 26.505 19.054 1.00 -4.17 C ATOM 122 1HG2 VAL A 8 41.394 25.606 19.451 1.00 -4.17 H ATOM 123 2HG2 VAL A 8 41.711 27.172 18.714 1.00 -4.17 H ATOM 124 3HG2 VAL A 8 40.293 26.230 18.208 1.00 -4.17 H ATOM 125 N TYR A 9 37.369 28.947 21.020 1.00 11.04 N ATOM 126 H TYR A 9 36.817 28.313 20.441 1.00 11.04 H ATOM 127 CA TYR A 9 36.707 29.554 22.161 1.00 11.04 C ATOM 128 HA TYR A 9 37.449 29.746 22.933 1.00 11.04 H ATOM 129 C TYR A 9 35.654 28.606 22.716 1.00 11.04 C ATOM 130 O TYR A 9 35.197 27.711 22.010 1.00 11.04 O ATOM 131 CB TYR A 9 36.052 30.876 21.754 1.00 11.04 C ATOM 132 1HB TYR A 9 35.720 31.393 22.653 1.00 11.04 H ATOM 133 2HB TYR A 9 36.807 31.483 21.268 1.00 11.04 H ATOM 134 CG TYR A 9 34.864 30.751 20.821 1.00 11.04 C ATOM 135 CD1 TYR A 9 33.555 30.644 21.338 1.00 11.04 C ATOM 136 HD1 TYR A 9 33.405 30.607 22.406 1.00 11.04 H ATOM 137 CD2 TYR A 9 35.034 30.780 19.421 1.00 11.04 C ATOM 138 HD2 TYR A 9 36.029 30.847 19.005 1.00 11.04 H ATOM 139 CE1 TYR A 9 32.432 30.597 20.474 1.00 11.04 C ATOM 140 HE1 TYR A 9 31.437 30.511 20.884 1.00 11.04 H ATOM 141 CE2 TYR A 9 33.912 30.738 18.551 1.00 11.04 C ATOM 142 HE2 TYR A 9 34.054 30.775 17.481 1.00 11.04 H ATOM 143 CZ TYR A 9 32.623 30.663 19.090 1.00 11.04 C ATOM 144 OH TYR A 9 31.524 30.638 18.270 1.00 11.04 O ATOM 145 HH TYR A 9 30.703 30.676 18.764 1.00 11.04 H ATOM 146 N CYS A 10 35.247 28.824 23.956 1.00 3.34 N ATOM 147 H CYS A 10 35.723 29.535 24.510 1.00 3.34 H ATOM 148 CA CYS A 10 34.112 28.134 24.560 1.00 3.34 C ATOM 149 HA CYS A 10 33.559 27.602 23.795 1.00 3.34 H ATOM 150 C CYS A 10 33.204 29.198 25.173 1.00 3.34 C ATOM 151 O CYS A 10 33.608 29.933 26.078 1.00 3.34 O ATOM 152 CB CYS A 10 34.566 27.136 25.630 1.00 3.34 C ATOM 153 1HB CYS A 10 35.167 27.675 26.362 1.00 3.34 H ATOM 154 2HB CYS A 10 33.684 26.747 26.138 1.00 3.34 H ATOM 155 SG CYS A 10 35.543 25.720 25.017 1.00 3.34 S ATOM 156 N ASN A 11 31.986 29.316 24.666 1.00 12.81 N ATOM 157 H ASN A 11 31.676 28.669 23.936 1.00 12.81 H ATOM 158 CA ASN A 11 31.037 30.327 25.131 1.00 12.81 C ATOM 159 HA ASN A 11 31.134 30.458 26.208 1.00 12.81 H ATOM 160 C ASN A 11 29.638 29.827 24.796 1.00 12.81 C ATOM 161 O ASN A 11 29.507 29.006 23.903 1.00 12.81 O ATOM 162 CB ASN A 11 31.285 31.662 24.419 1.00 12.81 C ATOM 163 1HB ASN A 11 32.342 31.916 24.495 1.00 12.81 H ATOM 164 2HB ASN A 11 31.026 31.552 23.367 1.00 12.81 H ATOM 165 CG ASN A 11 30.474 32.786 25.008 1.00 12.81 C ATOM 166 OD1 ASN A 11 30.224 32.824 26.213 1.00 12.81 O ATOM 167 ND2 ASN A 11 30.047 33.698 24.184 1.00 12.81 N ATOM 168 1HD2 ASN A 11 29.468 34.442 24.536 1.00 12.81 H ATOM 169 2HD2 ASN A 11 30.281 33.649 23.206 1.00 12.81 H ATOM 170 N SER A 12 28.611 30.310 25.486 1.00 11.43 N ATOM 171 H SER A 12 28.785 31.003 26.201 1.00 11.43 H ATOM 172 CA SER A 12 27.214 29.942 25.209 1.00 11.43 C ATOM 173 HA SER A 12 26.604 30.317 26.029 1.00 11.43 H ATOM 174 C SER A 12 26.953 28.435 25.095 1.00 11.43 C ATOM 175 O SER A 12 26.228 27.983 24.217 1.00 11.43 O ATOM 176 CB SER A 12 26.748 30.652 23.936 1.00 11.43 C ATOM 177 1HB SER A 12 27.263 30.228 23.073 1.00 11.43 H ATOM 178 2HB SER A 12 25.672 30.517 23.815 1.00 11.43 H ATOM 179 OG SER A 12 27.053 32.036 24.030 1.00 11.43 O ATOM 180 HG SER A 12 26.624 32.487 23.296 1.00 11.43 H ATOM 181 N LYS A 13 27.588 27.680 25.989 1.00-10.97 N ATOM 182 H LYS A 13 28.170 28.150 26.661 1.00-10.97 H ATOM 183 CA LYS A 13 27.531 26.207 26.057 1.00-10.97 C ATOM 184 HA LYS A 13 28.188 25.900 26.870 1.00-10.97 H ATOM 185 C LYS A 13 28.039 25.481 24.805 1.00-10.97 C ATOM 186 O LYS A 13 27.683 24.331 24.574 1.00-10.97 O ATOM 187 CB LYS A 13 26.118 25.697 26.396 1.00-10.97 C ATOM 188 1HB LYS A 13 25.459 25.917 25.556 1.00-10.97 H ATOM 189 2HB LYS A 13 26.160 24.614 26.513 1.00-10.97 H ATOM 190 CG LYS A 13 25.492 26.275 27.657 1.00-10.97 C ATOM 191 1HG LYS A 13 26.134 26.061 28.512 1.00-10.97 H ATOM 192 2HG LYS A 13 25.375 27.354 27.550 1.00-10.97 H ATOM 193 CD LYS A 13 24.123 25.643 27.876 1.00-10.97 C ATOM 194 1HD LYS A 13 23.509 25.817 26.991 1.00-10.97 H ATOM 195 2HD LYS A 13 24.248 24.568 28.014 1.00-10.97 H ATOM 196 CE LYS A 13 23.419 26.227 29.096 1.00-10.97 C ATOM 197 1HE LYS A 13 24.045 26.070 29.977 1.00-10.97 H ATOM 198 2HE LYS A 13 23.284 27.301 28.948 1.00-10.97 H ATOM 199 NZ LYS A 13 22.077 25.577 29.309 1.00-10.97 N ATOM 200 1HZ LYS A 13 21.624 25.978 30.120 1.00-10.97 H ATOM 201 2HZ LYS A 13 22.195 24.583 29.453 1.00-10.97 H ATOM 202 3HZ LYS A 13 21.492 25.725 28.497 1.00-10.97 H ATOM 203 N LYS A 14 28.886 26.122 24.012 1.00 -5.35 N ATOM 204 H LYS A 14 29.134 27.089 24.200 1.00 -5.35 H ATOM 205 CA LYS A 14 29.481 25.492 22.834 1.00 -5.35 C ATOM 206 HA LYS A 14 29.350 24.411 22.885 1.00 -5.35 H ATOM 207 C LYS A 14 30.966 25.823 22.797 1.00 -5.35 C ATOM 208 O LYS A 14 31.337 26.974 23.001 1.00 -5.35 O ATOM 209 CB LYS A 14 28.792 26.036 21.576 1.00 -5.35 C ATOM 210 1HB LYS A 14 27.712 25.943 21.701 1.00 -5.35 H ATOM 211 2HB LYS A 14 29.036 27.094 21.480 1.00 -5.35 H ATOM 212 CG LYS A 14 29.195 25.319 20.296 1.00 -5.35 C ATOM 213 1HG LYS A 14 30.278 25.284 20.242 1.00 -5.35 H ATOM 214 2HG LYS A 14 28.811 24.299 20.320 1.00 -5.35 H ATOM 215 CD LYS A 14 28.694 26.020 19.048 1.00 -5.35 C ATOM 216 1HD LYS A 14 27.606 26.087 19.073 1.00 -5.35 H ATOM 217 2HD LYS A 14 29.120 27.024 19.013 1.00 -5.35 H ATOM 218 CE LYS A 14 29.142 25.237 17.818 1.00 -5.35 C ATOM 219 1HE LYS A 14 30.215 25.048 17.901 1.00 -5.35 H ATOM 220 2HE LYS A 14 28.629 24.273 17.806 1.00 -5.35 H ATOM 221 NZ LYS A 14 28.874 25.971 16.535 1.00 -5.35 N ATOM 222 1HZ LYS A 14 29.213 25.425 15.753 1.00 -5.35 H ATOM 223 2HZ LYS A 14 29.359 26.859 16.544 1.00 -5.35 H ATOM 224 3HZ LYS A 14 27.882 26.132 16.430 1.00 -5.35 H ATOM 225 N CYS A 15 31.807 24.850 22.486 1.00-16.21 N ATOM 226 H CYS A 15 31.477 23.906 22.378 1.00-16.21 H ATOM 227 CA CYS A 15 33.192 25.140 22.130 1.00-16.21 C ATOM 228 HA CYS A 15 33.454 26.141 22.448 1.00-16.21 H ATOM 229 C CYS A 15 33.237 25.094 20.609 1.00-16.21 C ATOM 230 O CYS A 15 32.579 24.253 19.988 1.00-16.21 O ATOM 231 CB CYS A 15 34.166 24.153 22.769 1.00-16.21 C ATOM 232 1HB CYS A 15 33.886 23.143 22.472 1.00-16.21 H ATOM 233 2HB CYS A 15 35.169 24.358 22.393 1.00-16.21 H ATOM 234 SG CYS A 15 34.200 24.252 24.590 1.00-16.21 S ATOM 235 N TRP A 16 33.921 26.053 20.009 1.00 14.04 N ATOM 236 H TRP A 16 34.485 26.700 20.568 1.00 14.04 H ATOM 237 CA TRP A 16 33.889 26.269 18.569 1.00 14.04 C ATOM 238 HA TRP A 16 33.875 25.317 18.042 1.00 14.04 H ATOM 239 C TRP A 16 35.167 27.024 18.230 1.00 14.04 C ATOM 240 O TRP A 16 35.910 27.380 19.136 1.00 14.04 O ATOM 241 CB TRP A 16 32.635 27.079 18.225 1.00 14.04 C ATOM 242 1HB TRP A 16 31.775 26.561 18.640 1.00 14.04 H ATOM 243 2HB TRP A 16 32.706 28.048 18.707 1.00 14.04 H ATOM 244 CG TRP A 16 32.400 27.279 16.757 1.00 14.04 C ATOM 245 CD1 TRP A 16 32.388 28.461 16.089 1.00 14.04 C ATOM 246 HD1 TRP A 16 32.548 29.426 16.558 1.00 14.04 H ATOM 247 CD2 TRP A 16 32.179 26.271 15.754 1.00 14.04 C ATOM 248 NE1 TRP A 16 32.164 28.282 14.753 1.00 14.04 N ATOM 249 HE1 TRP A 16 32.150 29.034 14.076 1.00 14.04 H ATOM 250 CE2 TRP A 16 32.006 26.947 14.510 1.00 14.04 C ATOM 251 CE3 TRP A 16 32.109 24.862 15.775 1.00 14.04 C ATOM 252 HE3 TRP A 16 32.262 24.318 16.698 1.00 14.04 H ATOM 253 CZ2 TRP A 16 31.732 26.260 13.310 1.00 14.04 C ATOM 254 HZ2 TRP A 16 31.589 26.797 12.383 1.00 14.04 H ATOM 255 CZ3 TRP A 16 31.851 24.166 14.566 1.00 14.04 C ATOM 256 HZ3 TRP A 16 31.806 23.085 14.566 1.00 14.04 H ATOM 257 CH2 TRP A 16 31.660 24.879 13.347 1.00 14.04 C ATOM 258 HH2 TRP A 16 31.468 24.329 12.434 1.00 14.04 H ATOM 259 N VAL A 17 35.443 27.252 16.956 1.00 9.78 N ATOM 260 H VAL A 17 34.793 26.979 16.233 1.00 9.78 H ATOM 261 CA VAL A 17 36.659 27.927 16.531 1.00 9.78 C ATOM 262 HA VAL A 17 37.181 28.332 17.393 1.00 9.78 H ATOM 263 C VAL A 17 36.236 29.066 15.616 1.00 9.78 C ATOM 264 O VAL A 17 35.452 28.868 14.691 1.00 9.78 O ATOM 265 CB VAL A 17 37.598 26.942 15.774 1.00 9.78 C ATOM 266 HB VAL A 17 37.102 26.644 14.857 1.00 9.78 H ATOM 267 CG1 VAL A 17 38.938 27.586 15.416 1.00 9.78 C ATOM 268 1HG1 VAL A 17 39.548 26.874 14.860 1.00 9.78 H ATOM 269 2HG1 VAL A 17 39.471 27.886 16.316 1.00 9.78 H ATOM 270 3HG1 VAL A 17 38.776 28.457 14.784 1.00 9.78 H ATOM 271 CG2 VAL A 17 37.843 25.667 16.600 1.00 9.78 C ATOM 272 1HG2 VAL A 17 38.609 25.055 16.121 1.00 9.78 H ATOM 273 2HG2 VAL A 17 36.928 25.078 16.651 1.00 9.78 H ATOM 274 3HG2 VAL A 17 38.159 25.924 17.610 1.00 9.78 H ATOM 275 N ASP A 18 36.758 30.255 15.857 1.00 19.80 N ATOM 276 H ASP A 18 37.276 30.417 16.719 1.00 19.80 H ATOM 277 CA ASP A 18 36.761 31.305 14.847 1.00 19.80 C ATOM 278 HA ASP A 18 35.796 31.353 14.344 1.00 19.80 H ATOM 279 C ASP A 18 37.834 30.878 13.852 1.00 19.80 C ATOM 280 O ASP A 18 39.029 31.081 14.063 1.00 19.80 O ATOM 281 CB ASP A 18 37.084 32.670 15.458 1.00 19.80 C ATOM 282 1HB ASP A 18 36.324 32.906 16.204 1.00 19.80 H ATOM 283 2HB ASP A 18 38.048 32.619 15.961 1.00 19.80 H ATOM 284 CG ASP A 18 37.128 33.786 14.420 1.00 19.80 C ATOM 285 OD1 ASP A 18 37.314 33.535 13.204 1.00 19.80 O ATOM 286 OD2 ASP A 18 37.021 34.951 14.836 1.00 19.80 O ATOM 287 N TRP A 19 37.403 30.233 12.780 1.00 13.26 N ATOM 288 H TRP A 19 36.414 30.055 12.683 1.00 13.26 H ATOM 289 CA TRP A 19 38.313 29.695 11.775 1.00 13.26 C ATOM 290 HA TRP A 19 39.010 29.021 12.271 1.00 13.26 H ATOM 291 C TRP A 19 39.121 30.776 11.064 1.00 13.26 C ATOM 292 O TRP A 19 40.231 30.519 10.600 1.00 13.26 O ATOM 293 CB TRP A 19 37.503 28.900 10.748 1.00 13.26 C ATOM 294 1HB TRP A 19 36.863 29.588 10.195 1.00 13.26 H ATOM 295 2HB TRP A 19 38.190 28.426 10.046 1.00 13.26 H ATOM 296 CG TRP A 19 36.633 27.846 11.380 1.00 13.26 C ATOM 297 CD1 TRP A 19 35.279 27.879 11.529 1.00 13.26 C ATOM 298 HD1 TRP A 19 34.652 28.692 11.189 1.00 13.26 H ATOM 299 CD2 TRP A 19 37.049 26.594 11.959 1.00 13.26 C ATOM 300 NE1 TRP A 19 34.818 26.760 12.168 1.00 13.26 N ATOM 301 HE1 TRP A 19 33.851 26.586 12.397 1.00 13.26 H ATOM 302 CE2 TRP A 19 35.878 25.946 12.451 1.00 13.26 C ATOM 303 CE3 TRP A 19 38.295 25.951 12.113 1.00 13.26 C ATOM 304 HE3 TRP A 19 39.197 26.410 11.739 1.00 13.26 H ATOM 305 CZ2 TRP A 19 35.921 24.694 13.098 1.00 13.26 C ATOM 306 HZ2 TRP A 19 35.019 24.228 13.463 1.00 13.26 H ATOM 307 CZ3 TRP A 19 38.344 24.687 12.761 1.00 13.26 C ATOM 308 HZ3 TRP A 19 39.292 24.181 12.882 1.00 13.26 H ATOM 309 CH2 TRP A 19 37.150 24.075 13.246 1.00 13.26 C ATOM 310 HH2 TRP A 19 37.207 23.111 13.732 1.00 13.26 H ATOM 311 N GLY A 20 38.594 31.991 11.003 1.00 3.54 N ATOM 312 H GLY A 20 37.715 32.194 11.468 1.00 3.54 H ATOM 313 CA GLY A 20 39.301 33.073 10.340 1.00 3.54 C ATOM 314 1HA GLY A 20 39.674 32.732 9.374 1.00 3.54 H ATOM 315 2HA GLY A 20 38.631 33.921 10.196 1.00 3.54 H ATOM 316 C GLY A 20 40.466 33.501 11.203 1.00 3.54 C ATOM 317 O GLY A 20 41.607 33.549 10.744 1.00 3.54 O ATOM 318 N GLN A 21 40.208 33.724 12.482 1.00 11.84 N ATOM 319 H GLN A 21 39.250 33.639 12.826 1.00 11.84 H ATOM 320 CA GLN A 21 41.279 34.107 13.400 1.00 11.84 C ATOM 321 HA GLN A 21 41.843 34.935 12.969 1.00 11.84 H ATOM 322 C GLN A 21 42.256 32.954 13.589 1.00 11.84 C ATOM 323 O GLN A 21 43.456 33.187 13.694 1.00 11.84 O ATOM 324 CB GLN A 21 40.720 34.544 14.755 1.00 11.84 C ATOM 325 1HB GLN A 21 39.902 33.879 15.023 1.00 11.84 H ATOM 326 2HB GLN A 21 41.510 34.413 15.494 1.00 11.84 H ATOM 327 CG GLN A 21 40.241 36.007 14.859 1.00 11.84 C ATOM 328 1HG GLN A 21 39.371 36.042 15.513 1.00 11.84 H ATOM 329 2HG GLN A 21 41.033 36.591 15.326 1.00 11.84 H ATOM 330 CD GLN A 21 39.884 36.677 13.539 1.00 11.84 C ATOM 331 OE1 GLN A 21 40.726 37.274 12.885 1.00 11.84 O ATOM 332 NE2 GLN A 21 38.640 36.613 13.154 1.00 11.84 N ATOM 333 1HE2 GLN A 21 38.369 37.077 12.311 1.00 11.84 H ATOM 334 2HE2 GLN A 21 37.960 36.092 13.716 1.00 11.84 H ATOM 335 N ALA A 22 41.778 31.717 13.572 1.00 8.81 N ATOM 336 H ALA A 22 40.773 31.561 13.538 1.00 8.81 H ATOM 337 CA ALA A 22 42.679 30.570 13.618 1.00 8.81 C ATOM 338 HA ALA A 22 43.287 30.645 14.521 1.00 8.81 H ATOM 339 C ALA A 22 43.618 30.585 12.413 1.00 8.81 C ATOM 340 O ALA A 22 44.820 30.431 12.566 1.00 8.81 O ATOM 341 CB ALA A 22 41.888 29.261 13.659 1.00 8.81 C ATOM 342 1HB ALA A 22 41.222 29.264 14.520 1.00 8.81 H ATOM 343 2HB ALA A 22 42.582 28.426 13.755 1.00 8.81 H ATOM 344 3HB ALA A 22 41.303 29.144 12.748 1.00 8.81 H ATOM 345 N SER A 23 43.097 30.801 11.213 1.00-16.92 N ATOM 346 H SER A 23 42.093 30.925 11.102 1.00-16.92 H ATOM 347 CA SER A 23 43.961 30.806 10.031 1.00-16.92 C ATOM 348 HA SER A 23 44.529 29.876 10.035 1.00-16.92 H ATOM 349 C SER A 23 44.967 31.954 10.079 1.00-16.92 C ATOM 350 O SER A 23 46.113 31.792 9.662 1.00-16.92 O ATOM 351 CB SER A 23 43.141 30.851 8.738 1.00-16.92 C ATOM 352 1HB SER A 23 43.812 30.693 7.893 1.00-16.92 H ATOM 353 2HB SER A 23 42.408 30.044 8.757 1.00-16.92 H ATOM 354 OG SER A 23 42.467 32.085 8.553 1.00-16.92 O ATOM 355 HG SER A 23 42.059 32.367 9.384 1.00-16.92 H ATOM 356 N GLY A 24 44.577 33.083 10.658 1.00 -1.58 N ATOM 357 H GLY A 24 43.616 33.188 10.970 1.00 -1.58 H ATOM 358 CA GLY A 24 45.504 34.187 10.838 1.00 -1.58 C ATOM 359 1HA GLY A 24 45.973 34.415 9.880 1.00 -1.58 H ATOM 360 2HA GLY A 24 44.958 35.066 11.180 1.00 -1.58 H ATOM 361 C GLY A 24 46.594 33.866 11.842 1.00 -1.58 C ATOM 362 O GLY A 24 47.762 34.163 11.607 1.00 -1.58 O ATOM 363 N CYS A 25 46.250 33.222 12.947 1.00 1.53 N ATOM 364 H CYS A 25 45.276 32.977 13.107 1.00 1.53 H ATOM 365 CA CYS A 25 47.245 32.867 13.956 1.00 1.53 C ATOM 366 HA CYS A 25 47.854 33.745 14.173 1.00 1.53 H ATOM 367 C CYS A 25 48.177 31.760 13.469 1.00 1.53 C ATOM 368 O CYS A 25 49.378 31.804 13.728 1.00 1.53 O ATOM 369 CB CYS A 25 46.550 32.432 15.244 1.00 1.53 C ATOM 370 1HB CYS A 25 45.884 31.600 15.020 1.00 1.53 H ATOM 371 2HB CYS A 25 47.308 32.090 15.950 1.00 1.53 H ATOM 372 SG CYS A 25 45.596 33.761 16.009 1.00 1.53 S ATOM 373 HG CYS A 25 44.613 33.784 15.093 1.00 1.53 H ATOM 374 N ILE A 26 47.660 30.803 12.713 1.00 -8.64 N ATOM 375 H ILE A 26 46.652 30.770 12.563 1.00 -8.64 H ATOM 376 CA ILE A 26 48.500 29.776 12.092 1.00 -8.64 C ATOM 377 HA ILE A 26 49.123 29.312 12.856 1.00 -8.64 H ATOM 378 C ILE A 26 49.425 30.463 11.088 1.00 -8.64 C ATOM 379 O ILE A 26 50.624 30.196 11.075 1.00 -8.64 O ATOM 380 CB ILE A 26 47.642 28.665 11.410 1.00 -8.64 C ATOM 381 HB ILE A 26 46.935 29.145 10.732 1.00 -8.64 H ATOM 382 CG1 ILE A 26 46.859 27.879 12.484 1.00 -8.64 C ATOM 383 1HG1 ILE A 26 47.555 27.226 13.011 1.00 -8.64 H ATOM 384 2HG1 ILE A 26 46.455 28.578 13.211 1.00 -8.64 H ATOM 385 CG2 ILE A 26 48.526 27.683 10.592 1.00 -8.64 C ATOM 386 1HG2 ILE A 26 47.911 26.906 10.139 1.00 -8.64 H ATOM 387 2HG2 ILE A 26 49.274 27.219 11.239 1.00 -8.64 H ATOM 388 3HG2 ILE A 26 49.036 28.217 9.789 1.00 -8.64 H ATOM 389 CD1 ILE A 26 45.688 27.034 11.959 1.00 -8.64 C ATOM 390 1HD1 ILE A 26 45.162 26.587 12.802 1.00 -8.64 H ATOM 391 2HD1 ILE A 26 46.053 26.240 11.309 1.00 -8.64 H ATOM 392 3HD1 ILE A 26 44.994 27.669 11.407 1.00 -8.64 H ATOM 393 N GLY A 27 48.914 31.398 10.298 1.00 -3.44 N ATOM 394 H GLY A 27 47.916 31.604 10.319 1.00 -3.44 H ATOM 395 CA GLY A 27 49.764 32.134 9.375 1.00 -3.44 C ATOM 396 1HA GLY A 27 50.234 31.429 8.690 1.00 -3.44 H ATOM 397 2HA GLY A 27 49.154 32.832 8.802 1.00 -3.44 H ATOM 398 C GLY A 27 50.857 32.906 10.089 1.00 -3.44 C ATOM 399 O GLY A 27 52.020 32.847 9.700 1.00 -3.44 O ATOM 400 N GLN A 28 50.522 33.576 11.181 1.00-11.24 N ATOM 401 H GLN A 28 49.543 33.618 11.461 1.00-11.24 H ATOM 402 CA GLN A 28 51.515 34.278 11.989 1.00-11.24 C ATOM 403 HA GLN A 28 52.052 34.978 11.348 1.00-11.24 H ATOM 404 C GLN A 28 52.539 33.314 12.588 1.00-11.24 C ATOM 405 O GLN A 28 53.717 33.645 12.680 1.00-11.24 O ATOM 406 CB GLN A 28 50.817 35.076 13.096 1.00-11.24 C ATOM 407 1HB GLN A 28 50.066 35.714 12.631 1.00-11.24 H ATOM 408 2HB GLN A 28 50.311 34.386 13.770 1.00-11.24 H ATOM 409 CG GLN A 28 51.758 35.956 13.922 1.00-11.24 C ATOM 410 1HG GLN A 28 51.175 36.508 14.658 1.00-11.24 H ATOM 411 2HG GLN A 28 52.463 35.318 14.454 1.00-11.24 H ATOM 412 CD GLN A 28 52.546 36.939 13.075 1.00-11.24 C ATOM 413 OE1 GLN A 28 51.990 37.774 12.387 1.00-11.24 O ATOM 414 NE2 GLN A 28 53.848 36.837 13.112 1.00-11.24 N ATOM 415 1HE2 GLN A 28 54.388 37.496 12.582 1.00-11.24 H ATOM 416 2HE2 GLN A 28 54.281 36.103 13.645 1.00-11.24 H ATOM 417 N THR A 29 52.128 32.113 12.961 1.00-13.60 N ATOM 418 H THR A 29 51.140 31.881 12.901 1.00-13.60 H ATOM 419 CA THR A 29 53.063 31.100 13.454 1.00-13.60 C ATOM 420 HA THR A 29 53.627 31.522 14.284 1.00-13.60 H ATOM 421 C THR A 29 54.055 30.709 12.355 1.00-13.60 C ATOM 422 O THR A 29 55.253 30.595 12.611 1.00-13.60 O ATOM 423 CB THR A 29 52.307 29.846 13.962 1.00-13.60 C ATOM 424 HB THR A 29 51.803 29.358 13.130 1.00-13.60 H ATOM 425 OG1 THR A 29 51.338 30.242 14.936 1.00-13.60 O ATOM 426 HG1 THR A 29 50.658 30.779 14.503 1.00-13.60 H ATOM 427 CG2 THR A 29 53.227 28.850 14.647 1.00-13.60 C ATOM 428 1HG2 THR A 29 52.629 28.026 15.036 1.00-13.60 H ATOM 429 2HG2 THR A 29 53.747 29.333 15.473 1.00-13.60 H ATOM 430 3HG2 THR A 29 53.953 28.456 13.935 1.00-13.60 H ATOM 431 N VAL A 30 53.596 30.568 11.118 1.00-21.62 N ATOM 432 H VAL A 30 52.598 30.661 10.937 1.00-21.62 H ATOM 433 CA VAL A 30 54.497 30.274 9.996 1.00-21.62 C ATOM 434 HA VAL A 30 55.102 29.407 10.258 1.00-21.62 H ATOM 435 C VAL A 30 55.454 31.446 9.760 1.00-21.62 C ATOM 436 O VAL A 30 56.652 31.234 9.576 1.00-21.62 O ATOM 437 CB VAL A 30 53.703 29.937 8.693 1.00-21.62 C ATOM 438 HB VAL A 30 53.044 30.770 8.457 1.00-21.62 H ATOM 439 CG1 VAL A 30 54.636 29.705 7.492 1.00-21.62 C ATOM 440 1HG1 VAL A 30 54.050 29.420 6.618 1.00-21.62 H ATOM 441 2HG1 VAL A 30 55.355 28.916 7.718 1.00-21.62 H ATOM 442 3HG1 VAL A 30 55.176 30.622 7.256 1.00-21.62 H ATOM 443 CG2 VAL A 30 52.846 28.675 8.898 1.00-21.62 C ATOM 444 1HG2 VAL A 30 52.278 28.466 7.991 1.00-21.62 H ATOM 445 2HG2 VAL A 30 52.142 28.819 9.713 1.00-21.62 H ATOM 446 3HG2 VAL A 30 53.483 27.819 9.128 1.00-21.62 H ATOM 447 N VAL A 31 54.971 32.680 9.831 1.00-15.75 N ATOM 448 H VAL A 31 53.972 32.820 9.967 1.00-15.75 H ATOM 449 CA VAL A 31 55.845 33.853 9.701 1.00-15.75 C ATOM 450 HA VAL A 31 56.409 33.768 8.772 1.00-15.75 H ATOM 451 C VAL A 31 56.857 33.879 10.847 1.00-15.75 C ATOM 452 O VAL A 31 58.027 34.162 10.630 1.00-15.75 O ATOM 453 CB VAL A 31 55.025 35.182 9.659 1.00-15.75 C ATOM 454 HB VAL A 31 54.398 35.234 10.547 1.00-15.75 H ATOM 455 CG1 VAL A 31 55.936 36.426 9.635 1.00-15.75 C ATOM 456 1HG1 VAL A 31 55.327 37.327 9.553 1.00-15.75 H ATOM 457 2HG1 VAL A 31 56.620 36.376 8.785 1.00-15.75 H ATOM 458 3HG1 VAL A 31 56.515 36.485 10.556 1.00-15.75 H ATOM 459 CG2 VAL A 31 54.123 35.219 8.415 1.00-15.75 C ATOM 460 1HG2 VAL A 31 53.516 36.124 8.430 1.00-15.75 H ATOM 461 2HG2 VAL A 31 53.456 34.362 8.399 1.00-15.75 H ATOM 462 3HG2 VAL A 31 54.730 35.209 7.508 1.00-15.75 H ATOM 463 N GLY A 32 56.448 33.525 12.057 1.00-11.06 N ATOM 464 H GLY A 32 55.468 33.303 12.214 1.00-11.06 H ATOM 465 CA GLY A 32 57.379 33.464 13.173 1.00-11.06 C ATOM 466 1HA GLY A 32 57.868 34.431 13.280 1.00-11.06 H ATOM 467 2HA GLY A 32 56.829 33.240 14.086 1.00-11.06 H ATOM 468 C GLY A 32 58.449 32.407 12.975 1.00-11.06 C ATOM 469 O GLY A 32 59.617 32.641 13.277 1.00-11.06 O ATOM 470 N GLY A 33 58.079 31.261 12.421 1.00 -6.64 N ATOM 471 H GLY A 33 57.100 31.096 12.196 1.00 -6.64 H ATOM 472 CA GLY A 33 59.061 30.227 12.135 1.00 -6.64 C ATOM 473 1HA GLY A 33 59.633 30.022 13.040 1.00 -6.64 H ATOM 474 2HA GLY A 33 58.553 29.316 11.820 1.00 -6.64 H ATOM 475 C GLY A 33 60.021 30.663 11.047 1.00 -6.64 C ATOM 476 O GLY A 33 61.225 30.438 11.151 1.00 -6.64 O ATOM 477 N TRP A 34 59.511 31.345 10.030 1.00 -8.13 N ATOM 478 H TRP A 34 58.504 31.478 9.967 1.00 -8.13 H ATOM 479 CA TRP A 34 60.361 31.903 8.982 1.00 -8.13 C ATOM 480 HA TRP A 34 60.973 31.107 8.557 1.00 -8.13 H ATOM 481 C TRP A 34 61.310 32.953 9.550 1.00 -8.13 C ATOM 482 O TRP A 34 62.490 32.950 9.227 1.00 -8.13 O ATOM 483 CB TRP A 34 59.515 32.515 7.864 1.00 -8.13 C ATOM 484 1HB TRP A 34 59.018 31.716 7.315 1.00 -8.13 H ATOM 485 2HB TRP A 34 58.757 33.161 8.301 1.00 -8.13 H ATOM 486 CG TRP A 34 60.347 33.331 6.920 1.00 -8.13 C ATOM 487 CD1 TRP A 34 61.259 32.877 6.016 1.00 -8.13 C ATOM 488 HD1 TRP A 34 61.481 31.833 5.843 1.00 -8.13 H ATOM 489 CD2 TRP A 34 60.402 34.767 6.829 1.00 -8.13 C ATOM 490 NE1 TRP A 34 61.888 33.910 5.378 1.00 -8.13 N ATOM 491 HE1 TRP A 34 62.651 33.798 4.696 1.00 -8.13 H ATOM 492 CE2 TRP A 34 61.370 35.090 5.835 1.00 -8.13 C ATOM 493 CE3 TRP A 34 59.743 35.817 7.502 1.00 -8.13 C ATOM 494 HE3 TRP A 34 59.014 35.600 8.268 1.00 -8.13 H ATOM 495 CZ2 TRP A 34 61.690 36.421 5.498 1.00 -8.13 C ATOM 496 HZ2 TRP A 34 62.440 36.630 4.749 1.00 -8.13 H ATOM 497 CZ3 TRP A 34 60.054 37.160 7.159 1.00 -8.13 C ATOM 498 HZ3 TRP A 34 59.551 37.973 7.663 1.00 -8.13 H ATOM 499 CH2 TRP A 34 61.030 37.443 6.158 1.00 -8.13 C ATOM 500 HH2 TRP A 34 61.264 38.469 5.916 1.00 -8.13 H ATOM 501 N LEU A 35 60.842 33.802 10.454 1.00-10.37 N ATOM 502 H LEU A 35 59.857 33.769 10.704 1.00-10.37 H ATOM 503 CA LEU A 35 61.701 34.805 11.088 1.00-10.37 C ATOM 504 HA LEU A 35 62.181 35.390 10.310 1.00-10.37 H ATOM 505 C LEU A 35 62.811 34.167 11.915 1.00-10.37 C ATOM 506 O LEU A 35 63.905 34.719 12.002 1.00-10.37 O ATOM 507 CB LEU A 35 60.883 35.745 11.978 1.00-10.37 C ATOM 508 1HB LEU A 35 60.220 35.134 12.587 1.00-10.37 H ATOM 509 2HB LEU A 35 61.573 36.252 12.651 1.00-10.37 H ATOM 510 CG LEU A 35 60.046 36.826 11.276 1.00-10.37 C ATOM 511 HG LEU A 35 59.434 36.359 10.509 1.00-10.37 H ATOM 512 CD1 LEU A 35 59.116 37.491 12.288 1.00-10.37 C ATOM 513 1HD1 LEU A 35 58.503 38.238 11.784 1.00-10.37 H ATOM 514 2HD1 LEU A 35 59.696 37.970 13.077 1.00-10.37 H ATOM 515 3HD1 LEU A 35 58.458 36.740 12.726 1.00-10.37 H ATOM 516 CD2 LEU A 35 60.923 37.892 10.614 1.00-10.37 C ATOM 517 1HD2 LEU A 35 60.293 38.669 10.181 1.00-10.37 H ATOM 518 2HD2 LEU A 35 61.507 37.442 9.811 1.00-10.37 H ATOM 519 3HD2 LEU A 35 61.597 38.338 11.346 1.00-10.37 H ATOM 520 N GLY A 36 62.573 32.975 12.443 1.00 -0.77 N ATOM 521 H GLY A 36 61.652 32.559 12.354 1.00 -0.77 H ATOM 522 CA GLY A 36 63.621 32.236 13.131 1.00 -0.77 C ATOM 523 1HA GLY A 36 64.000 32.844 13.952 1.00 -0.77 H ATOM 524 2HA GLY A 36 63.200 31.317 13.539 1.00 -0.77 H ATOM 525 C GLY A 36 64.789 31.883 12.227 1.00 -0.77 C ATOM 526 O GLY A 36 65.916 31.755 12.694 1.00 -0.77 O ATOM 527 N GLY A 37 64.541 31.782 10.927 1.00 9.99 N ATOM 528 H GLY A 37 63.589 31.882 10.590 1.00 9.99 H ATOM 529 CA GLY A 37 65.606 31.595 9.954 1.00 9.99 C ATOM 530 1HA GLY A 37 66.449 31.082 10.416 1.00 9.99 H ATOM 531 2HA GLY A 37 65.229 30.982 9.135 1.00 9.99 H ATOM 532 C GLY A 37 66.086 32.915 9.376 1.00 9.99 C ATOM 533 O GLY A 37 67.281 33.114 9.171 1.00 9.99 O ATOM 534 N ALA A 38 65.167 33.836 9.129 1.00 6.61 N ATOM 535 H ALA A 38 64.191 33.618 9.306 1.00 6.61 H ATOM 536 CA ALA A 38 65.481 35.122 8.514 1.00 6.61 C ATOM 537 HA ALA A 38 66.049 34.917 7.607 1.00 6.61 H ATOM 538 C ALA A 38 66.321 36.064 9.373 1.00 6.61 C ATOM 539 O ALA A 38 67.165 36.782 8.849 1.00 6.61 O ATOM 540 CB ALA A 38 64.186 35.817 8.103 1.00 6.61 C ATOM 541 1HB ALA A 38 63.583 35.127 7.509 1.00 6.61 H ATOM 542 2HB ALA A 38 64.418 36.688 7.490 1.00 6.61 H ATOM 543 3HB ALA A 38 63.626 36.129 8.980 1.00 6.61 H ATOM 544 N ILE A 39 66.126 36.090 10.681 1.00 1.18 N ATOM 545 H ILE A 39 65.414 35.496 11.107 1.00 1.18 H ATOM 546 CA ILE A 39 66.933 36.979 11.522 1.00 1.18 C ATOM 547 HA ILE A 39 66.876 37.976 11.088 1.00 1.18 H ATOM 548 C ILE A 39 68.420 36.573 11.447 1.00 1.18 C ATOM 549 O ILE A 39 69.269 37.437 11.186 1.00 1.18 O ATOM 550 CB ILE A 39 66.365 37.084 12.975 1.00 1.18 C ATOM 551 HB ILE A 39 66.275 36.082 13.389 1.00 1.18 H ATOM 552 CG1 ILE A 39 64.962 37.729 12.933 1.00 1.18 C ATOM 553 1HG1 ILE A 39 65.075 38.790 12.706 1.00 1.18 H ATOM 554 2HG1 ILE A 39 64.385 37.283 12.127 1.00 1.18 H ATOM 555 CG2 ILE A 39 67.307 37.912 13.889 1.00 1.18 C ATOM 556 1HG2 ILE A 39 66.898 37.967 14.898 1.00 1.18 H ATOM 557 2HG2 ILE A 39 67.424 38.923 13.496 1.00 1.18 H ATOM 558 3HG2 ILE A 39 68.285 37.436 13.952 1.00 1.18 H ATOM 559 CD1 ILE A 39 64.131 37.587 14.217 1.00 1.18 C ATOM 560 1HD1 ILE A 39 63.141 38.013 14.052 1.00 1.18 H ATOM 561 2HD1 ILE A 39 64.609 38.115 15.041 1.00 1.18 H ATOM 562 3HD1 ILE A 39 64.024 36.531 14.470 1.00 1.18 H ATOM 563 N PRO A 40 68.778 35.281 11.607 1.00 6.76 N ATOM 564 CA PRO A 40 70.141 34.955 11.154 1.00 6.76 C ATOM 565 HA PRO A 40 70.853 35.548 11.726 1.00 6.76 H ATOM 566 C PRO A 40 70.468 35.107 9.657 1.00 6.76 C ATOM 567 O PRO A 40 71.499 35.695 9.324 1.00 6.76 O ATOM 568 CB PRO A 40 70.288 33.478 11.552 1.00 6.76 C ATOM 569 1HB PRO A 40 70.026 32.825 10.721 1.00 6.76 H ATOM 570 2HB PRO A 40 71.303 33.270 11.889 1.00 6.76 H ATOM 571 CG PRO A 40 69.326 33.291 12.658 1.00 6.76 C ATOM 572 1HG PRO A 40 69.056 32.241 12.770 1.00 6.76 H ATOM 573 2HG PRO A 40 69.744 33.684 13.585 1.00 6.76 H ATOM 574 CD PRO A 40 68.147 34.106 12.240 1.00 6.76 C ATOM 575 1HD PRO A 40 67.534 33.562 11.527 1.00 6.76 H ATOM 576 2HD PRO A 40 67.559 34.389 13.112 1.00 6.76 H ATOM 577 N GLY A 41 69.658 34.542 8.768 1.00 8.90 N ATOM 578 H GLY A 41 68.781 34.117 9.072 1.00 8.90 H ATOM 579 CA GLY A 41 70.054 34.334 7.377 1.00 8.90 C ATOM 580 1HA GLY A 41 71.139 34.235 7.344 1.00 8.90 H ATOM 581 2HA GLY A 41 69.642 33.373 7.068 1.00 8.90 H ATOM 582 C GLY A 41 69.662 35.332 6.304 1.00 8.90 C ATOM 583 O GLY A 41 70.284 35.347 5.249 1.00 8.90 O ATOM 584 N LYS A 42 68.671 36.173 6.581 1.00 -2.18 N ATOM 585 H LYS A 42 68.209 36.089 7.482 1.00 -2.18 H ATOM 586 CA LYS A 42 68.193 37.252 5.695 1.00 -2.18 C ATOM 587 HA LYS A 42 67.354 37.731 6.198 1.00 -2.18 H ATOM 588 C LYS A 42 67.628 36.717 4.375 1.00 -2.18 C ATOM 589 O LYS A 42 67.720 37.365 3.334 1.00 -2.18 O ATOM 590 CB LYS A 42 69.257 38.349 5.461 1.00 -2.18 C ATOM 591 1HB LYS A 42 70.155 37.892 5.049 1.00 -2.18 H ATOM 592 2HB LYS A 42 68.869 39.035 4.709 1.00 -2.18 H ATOM 593 CG LYS A 42 69.655 39.222 6.672 1.00 -2.18 C ATOM 594 1HG LYS A 42 70.282 40.032 6.299 1.00 -2.18 H ATOM 595 2HG LYS A 42 68.756 39.659 7.106 1.00 -2.18 H ATOM 596 CD LYS A 42 70.430 38.494 7.768 1.00 -2.18 C ATOM 597 1HD LYS A 42 69.775 37.764 8.238 1.00 -2.18 H ATOM 598 2HD LYS A 42 71.278 37.974 7.321 1.00 -2.18 H ATOM 599 CE LYS A 42 70.936 39.425 8.846 1.00 -2.18 C ATOM 600 1HE LYS A 42 71.662 40.119 8.417 1.00 -2.18 H ATOM 601 2HE LYS A 42 70.098 39.982 9.270 1.00 -2.18 H ATOM 602 NZ LYS A 42 71.573 38.586 9.909 1.00 -2.18 N ATOM 603 1HZ LYS A 42 72.088 39.161 10.558 1.00 -2.18 H ATOM 604 2HZ LYS A 42 72.184 37.895 9.488 1.00 -2.18 H ATOM 605 3HZ LYS A 42 70.844 38.083 10.413 1.00 -2.18 H ATOM 606 N CYS A 43 67.003 35.552 4.450 1.00-31.09 N ATOM 607 H CYS A 43 66.931 35.066 5.336 1.00-31.09 H ATOM 608 CA CYS A 43 66.258 34.925 3.363 1.00-31.09 C ATOM 609 HA CYS A 43 65.795 35.667 2.714 1.00-31.09 H ATOM 610 C CYS A 43 65.193 34.177 4.150 1.00-31.09 C ATOM 611 O CYS A 43 64.152 33.757 3.611 1.00-31.09 O ATOM 612 OXT CYS A 43 65.460 34.044 5.364 1.00-31.09 O ATOM 613 CB CYS A 43 67.127 33.947 2.566 1.00-31.09 C ATOM 614 1HB CYS A 43 67.633 33.286 3.269 1.00-31.09 H ATOM 615 2HB CYS A 43 66.471 33.340 1.938 1.00-31.09 H ATOM 616 SG CYS A 43 68.361 34.758 1.515 1.00-31.09 S ATOM 617 HG CYS A 43 68.458 35.874 2.260 1.00-31.09 H TER 618 CYS A 43 CONECT 155 152 234 CONECT 234 155 231 END
SEQUENCE	TKYYGNGVYCNSKKCWVDWGQASGCIGQTVVGGWLGGAIPGKC
HELICITY	60.50	INSTAB. INDEX	5.95	FLEXIBILITY	17.23
a HYD. MOM.	41.74	b HYD. MOM.	9.86	c HYD. MOM	4.26
a MEAN HYD. MOM.	0.97	b MEAN HYD. MOM.	0.23	c MEAN HYD. MOM.	0.10
CHARGE pH5	3.07	CHARGE pH7	2.82	CHARGE pH9	-0.86
Δ CHARGE pH5-pH9	3.93	ISOELECTRIC POINT	8.82	BOMAN INDEX	0.27
ΔG	18	CPP	-0,53	MLP	-14,78
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 V41
DATE	1998
TITLE PAPER	Divercin V41, a new bacteriocin with two disulfide bonds produced by Carnobacterium divergens V41: primary structure and genetic organization