Back to Resultset

ID	2465	NAME	Mundticin ATO6   Blast NCBI-PROT
LENGTH	43	DISULFIDE BRIDGE	1		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\KYYGNGVSCNKKGCSVDWGKAIGIIGNNSAANLATGGAAGWSK.pdb REMARK YASARA Written on: Wed May 14 20:43:52 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 594 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 LYS TYR TYR GLY ASN GLY VAL SER CYS ASN LYS LYS GLY SEQRES 2 A 43 CYS SER VAL ASP TRP GLY LYS ALA ILE GLY ILE ILE GLY SEQRES 3 A 43 ASN ASN SER ALA ALA ASN LEU ALA THR GLY GLY ALA ALA SEQRES 4 A 43 GLY TRP SER LYS 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 9 CYS A 14 2.04 ATOM 1 N LYS A 1 10.058 -5.378 -42.072 1.00-32.02 N ATOM 2 1H LYS A 1 10.295 -4.611 -42.686 1.00-32.02 H ATOM 3 2H LYS A 1 9.472 -5.043 -41.323 1.00-32.02 H ATOM 4 3H LYS A 1 9.543 -6.068 -42.610 1.00-32.02 H ATOM 5 CA LYS A 1 11.303 -5.999 -41.517 1.00-32.02 C ATOM 6 HA LYS A 1 11.855 -5.268 -40.929 1.00-32.02 H ATOM 7 C LYS A 1 12.169 -6.494 -42.656 1.00-32.02 C ATOM 8 O LYS A 1 11.620 -7.032 -43.599 1.00-32.02 O ATOM 9 CB LYS A 1 10.930 -7.210 -40.640 1.00-32.02 C ATOM 10 1HB LYS A 1 10.269 -6.875 -39.840 1.00-32.02 H ATOM 11 2HB LYS A 1 10.375 -7.900 -41.267 1.00-32.02 H ATOM 12 CG LYS A 1 12.102 -7.998 -40.023 1.00-32.02 C ATOM 13 1HG LYS A 1 12.802 -8.274 -40.809 1.00-32.02 H ATOM 14 2HG LYS A 1 12.617 -7.375 -39.291 1.00-32.02 H ATOM 15 CD LYS A 1 11.629 -9.289 -39.361 1.00-32.02 C ATOM 16 1HD LYS A 1 10.932 -9.052 -38.556 1.00-32.02 H ATOM 17 2HD LYS A 1 11.118 -9.895 -40.107 1.00-32.02 H ATOM 18 CE LYS A 1 12.803 -10.096 -38.808 1.00-32.02 C ATOM 19 1HE LYS A 1 13.527 -10.268 -39.611 1.00-32.02 H ATOM 20 2HE LYS A 1 13.291 -9.524 -38.016 1.00-32.02 H ATOM 21 NZ LYS A 1 12.344 -11.425 -38.267 1.00-32.02 N ATOM 22 1HZ LYS A 1 13.127 -11.919 -37.858 1.00-32.02 H ATOM 23 2HZ LYS A 1 11.961 -11.988 -39.019 1.00-32.02 H ATOM 24 3HZ LYS A 1 11.635 -11.287 -37.559 1.00-32.02 H ATOM 25 N TYR A 2 13.489 -6.394 -42.558 1.00 6.08 N ATOM 26 H TYR A 2 13.925 -5.965 -41.753 1.00 6.08 H ATOM 27 CA TYR A 2 14.389 -7.001 -43.536 1.00 6.08 C ATOM 28 HA TYR A 2 13.840 -7.640 -44.222 1.00 6.08 H ATOM 29 C TYR A 2 15.391 -7.856 -42.788 1.00 6.08 C ATOM 30 O TYR A 2 15.612 -7.648 -41.600 1.00 6.08 O ATOM 31 CB TYR A 2 15.133 -5.939 -44.346 1.00 6.08 C ATOM 32 1HB TYR A 2 15.606 -5.226 -43.671 1.00 6.08 H ATOM 33 2HB TYR A 2 15.908 -6.427 -44.937 1.00 6.08 H ATOM 34 CG TYR A 2 14.222 -5.218 -45.300 1.00 6.08 C ATOM 35 CD1 TYR A 2 13.669 -3.961 -44.978 1.00 6.08 C ATOM 36 HD1 TYR A 2 13.931 -3.476 -44.048 1.00 6.08 H ATOM 37 CD2 TYR A 2 13.888 -5.809 -46.532 1.00 6.08 C ATOM 38 HD2 TYR A 2 14.309 -6.769 -46.803 1.00 6.08 H ATOM 39 CE1 TYR A 2 12.762 -3.325 -45.864 1.00 6.08 C ATOM 40 HE1 TYR A 2 12.326 -2.370 -45.608 1.00 6.08 H ATOM 41 CE2 TYR A 2 12.994 -5.174 -47.418 1.00 6.08 C ATOM 42 HE2 TYR A 2 12.748 -5.644 -48.355 1.00 6.08 H ATOM 43 CZ TYR A 2 12.425 -3.948 -47.067 1.00 6.08 C ATOM 44 OH TYR A 2 11.512 -3.346 -47.890 1.00 6.08 O ATOM 45 HH TYR A 2 11.196 -3.952 -48.594 1.00 6.08 H ATOM 46 N TYR A 3 16.006 -8.773 -43.515 1.00 2.29 N ATOM 47 H TYR A 3 15.691 -8.924 -44.475 1.00 2.29 H ATOM 48 CA TYR A 3 17.122 -9.599 -43.056 1.00 2.29 C ATOM 49 HA TYR A 3 17.256 -9.506 -41.978 1.00 2.29 H ATOM 50 C TYR A 3 18.367 -9.065 -43.767 1.00 2.29 C ATOM 51 O TYR A 3 19.258 -9.800 -44.185 1.00 2.29 O ATOM 52 CB TYR A 3 16.862 -11.064 -43.418 1.00 2.29 C ATOM 53 1HB TYR A 3 16.660 -11.127 -44.484 1.00 2.29 H ATOM 54 2HB TYR A 3 17.759 -11.645 -43.204 1.00 2.29 H ATOM 55 CG TYR A 3 15.708 -11.687 -42.657 1.00 2.29 C ATOM 56 CD1 TYR A 3 14.369 -11.480 -43.053 1.00 2.29 C ATOM 57 HD1 TYR A 3 14.153 -10.865 -43.911 1.00 2.29 H ATOM 58 CD2 TYR A 3 15.955 -12.513 -41.542 1.00 2.29 C ATOM 59 HD2 TYR A 3 16.973 -12.691 -41.222 1.00 2.29 H ATOM 60 CE1 TYR A 3 13.298 -12.082 -42.345 1.00 2.29 C ATOM 61 HE1 TYR A 3 12.282 -11.924 -42.668 1.00 2.29 H ATOM 62 CE2 TYR A 3 14.886 -13.132 -40.841 1.00 2.29 C ATOM 63 HE2 TYR A 3 15.097 -13.780 -40.004 1.00 2.29 H ATOM 64 CZ TYR A 3 13.570 -12.908 -41.251 1.00 2.29 C ATOM 65 OH TYR A 3 12.549 -13.501 -40.552 1.00 2.29 O ATOM 66 HH TYR A 3 12.850 -14.257 -40.040 1.00 2.29 H ATOM 67 N GLY A 4 18.371 -7.756 -43.977 1.00 28.76 N ATOM 68 H GLY A 4 17.607 -7.204 -43.626 1.00 28.76 H ATOM 69 CA GLY A 4 19.447 -7.080 -44.683 1.00 28.76 C ATOM 70 1HA GLY A 4 19.452 -6.026 -44.405 1.00 28.76 H ATOM 71 2HA GLY A 4 20.399 -7.517 -44.379 1.00 28.76 H ATOM 72 C GLY A 4 19.343 -7.178 -46.192 1.00 28.76 C ATOM 73 O GLY A 4 19.013 -6.206 -46.864 1.00 28.76 O ATOM 74 N ASN A 5 19.561 -8.368 -46.731 1.00 28.36 N ATOM 75 H ASN A 5 19.701 -9.157 -46.105 1.00 28.36 H ATOM 76 CA ASN A 5 19.674 -8.584 -48.179 1.00 28.36 C ATOM 77 HA ASN A 5 20.197 -7.724 -48.594 1.00 28.36 H ATOM 78 C ASN A 5 18.342 -8.700 -48.935 1.00 28.36 C ATOM 79 O ASN A 5 18.151 -9.577 -49.770 1.00 28.36 O ATOM 80 CB ASN A 5 20.546 -9.819 -48.427 1.00 28.36 C ATOM 81 1HB ASN A 5 21.399 -9.791 -47.750 1.00 28.36 H ATOM 82 2HB ASN A 5 19.967 -10.718 -48.223 1.00 28.36 H ATOM 83 CG ASN A 5 21.076 -9.877 -49.839 1.00 28.36 C ATOM 84 OD1 ASN A 5 21.537 -8.887 -50.382 1.00 28.36 O ATOM 85 ND2 ASN A 5 21.037 -11.037 -50.431 1.00 28.36 N ATOM 86 1HD2 ASN A 5 21.376 -11.098 -51.376 1.00 28.36 H ATOM 87 2HD2 ASN A 5 20.662 -11.837 -49.957 1.00 28.36 H ATOM 88 N GLY A 6 17.380 -7.862 -48.578 1.00 17.09 N ATOM 89 H GLY A 6 17.576 -7.190 -47.843 1.00 17.09 H ATOM 90 CA GLY A 6 16.083 -7.820 -49.246 1.00 17.09 C ATOM 91 1HA GLY A 6 15.595 -6.885 -48.974 1.00 17.09 H ATOM 92 2HA GLY A 6 16.259 -7.796 -50.314 1.00 17.09 H ATOM 93 C GLY A 6 15.109 -8.951 -48.973 1.00 17.09 C ATOM 94 O GLY A 6 13.923 -8.847 -49.293 1.00 17.09 O ATOM 95 N VAL A 7 15.595 -10.013 -48.351 1.00 -3.33 N ATOM 96 H VAL A 7 16.593 -10.087 -48.237 1.00 -3.33 H ATOM 97 CA VAL A 7 14.752 -11.039 -47.745 1.00 -3.33 C ATOM 98 HA VAL A 7 14.012 -11.396 -48.457 1.00 -3.33 H ATOM 99 C VAL A 7 14.068 -10.281 -46.616 1.00 -3.33 C ATOM 100 O VAL A 7 14.709 -9.451 -45.955 1.00 -3.33 O ATOM 101 CB VAL A 7 15.605 -12.229 -47.233 1.00 -3.33 C ATOM 102 HB VAL A 7 16.335 -11.850 -46.522 1.00 -3.33 H ATOM 103 CG1 VAL A 7 14.736 -13.283 -46.533 1.00 -3.33 C ATOM 104 1HG1 VAL A 7 15.357 -14.120 -46.211 1.00 -3.33 H ATOM 105 2HG1 VAL A 7 13.963 -13.653 -47.210 1.00 -3.33 H ATOM 106 3HG1 VAL A 7 14.260 -12.856 -45.651 1.00 -3.33 H ATOM 107 CG2 VAL A 7 16.373 -12.878 -48.400 1.00 -3.33 C ATOM 108 1HG2 VAL A 7 16.959 -13.720 -48.029 1.00 -3.33 H ATOM 109 2HG2 VAL A 7 17.056 -12.160 -48.854 1.00 -3.33 H ATOM 110 3HG2 VAL A 7 15.677 -13.238 -49.158 1.00 -3.33 H ATOM 111 N SER A 8 12.775 -10.479 -46.427 1.00-12.79 N ATOM 112 H SER A 8 12.282 -11.226 -46.919 1.00-12.79 H ATOM 113 CA SER A 8 11.986 -9.587 -45.598 1.00-12.79 C ATOM 114 HA SER A 8 12.624 -9.119 -44.856 1.00-12.79 H ATOM 115 C SER A 8 10.847 -10.271 -44.863 1.00-12.79 C ATOM 116 O SER A 8 10.466 -11.391 -45.173 1.00-12.79 O ATOM 117 CB SER A 8 11.413 -8.504 -46.513 1.00-12.79 C ATOM 118 1HB SER A 8 10.887 -7.764 -45.914 1.00-12.79 H ATOM 119 2HB SER A 8 12.236 -8.015 -47.032 1.00-12.79 H ATOM 120 OG SER A 8 10.524 -9.043 -47.477 1.00-12.79 O ATOM 121 HG SER A 8 10.427 -8.383 -48.189 1.00-12.79 H ATOM 122 N CYS A 9 10.254 -9.552 -43.926 1.00 10.22 N ATOM 123 H CYS A 9 10.665 -8.668 -43.646 1.00 10.22 H ATOM 124 CA CYS A 9 8.911 -9.865 -43.456 1.00 10.22 C ATOM 125 HA CYS A 9 8.466 -10.582 -44.130 1.00 10.22 H ATOM 126 C CYS A 9 8.147 -8.564 -43.604 1.00 10.22 C ATOM 127 O CYS A 9 8.324 -7.630 -42.819 1.00 10.22 O ATOM 128 CB CYS A 9 8.844 -10.424 -42.031 1.00 10.22 C ATOM 129 1HB CYS A 9 9.260 -9.688 -41.352 1.00 10.22 H ATOM 130 2HB CYS A 9 7.793 -10.562 -41.770 1.00 10.22 H ATOM 131 SG CYS A 9 9.711 -12.009 -41.773 1.00 10.22 S ATOM 132 N ASN A 10 7.394 -8.493 -44.688 1.00 14.14 N ATOM 133 H ASN A 10 7.223 -9.346 -45.214 1.00 14.14 H ATOM 134 CA ASN A 10 6.691 -7.302 -45.148 1.00 14.14 C ATOM 135 HA ASN A 10 6.480 -6.617 -44.325 1.00 14.14 H ATOM 136 C ASN A 10 5.414 -7.941 -45.680 1.00 14.14 C ATOM 137 O ASN A 10 5.332 -9.162 -45.683 1.00 14.14 O ATOM 138 CB ASN A 10 7.447 -6.599 -46.291 1.00 14.14 C ATOM 139 1HB ASN A 10 7.794 -7.350 -47.000 1.00 14.14 H ATOM 140 2HB ASN A 10 6.772 -5.920 -46.808 1.00 14.14 H ATOM 141 CG ASN A 10 8.635 -5.791 -45.822 1.00 14.14 C ATOM 142 OD1 ASN A 10 8.696 -5.311 -44.696 1.00 14.14 O ATOM 143 ND2 ASN A 10 9.576 -5.596 -46.698 1.00 14.14 N ATOM 144 1HD2 ASN A 10 10.361 -5.025 -46.445 1.00 14.14 H ATOM 145 2HD2 ASN A 10 9.526 -6.001 -47.629 1.00 14.14 H ATOM 146 N LYS A 11 4.450 -7.162 -46.160 1.00 -6.49 N ATOM 147 H LYS A 11 4.571 -6.160 -46.118 1.00 -6.49 H ATOM 148 CA LYS A 11 3.219 -7.687 -46.791 1.00 -6.49 C ATOM 149 HA LYS A 11 2.565 -6.838 -46.989 1.00 -6.49 H ATOM 150 C LYS A 11 2.434 -8.682 -45.920 1.00 -6.49 C ATOM 151 O LYS A 11 1.826 -9.606 -46.439 1.00 -6.49 O ATOM 152 CB LYS A 11 3.520 -8.371 -48.143 1.00 -6.49 C ATOM 153 1HB LYS A 11 3.930 -9.359 -47.933 1.00 -6.49 H ATOM 154 2HB LYS A 11 2.579 -8.520 -48.674 1.00 -6.49 H ATOM 155 CG LYS A 11 4.496 -7.659 -49.085 1.00 -6.49 C ATOM 156 1HG LYS A 11 4.005 -7.462 -50.038 1.00 -6.49 H ATOM 157 2HG LYS A 11 4.821 -6.713 -48.655 1.00 -6.49 H ATOM 158 CD LYS A 11 5.709 -8.560 -49.317 1.00 -6.49 C ATOM 159 1HD LYS A 11 6.099 -8.874 -48.349 1.00 -6.49 H ATOM 160 2HD LYS A 11 5.398 -9.446 -49.871 1.00 -6.49 H ATOM 161 CE LYS A 11 6.823 -7.855 -50.070 1.00 -6.49 C ATOM 162 1HE LYS A 11 6.478 -7.559 -51.062 1.00 -6.49 H ATOM 163 2HE LYS A 11 7.119 -6.963 -49.514 1.00 -6.49 H ATOM 164 NZ LYS A 11 7.999 -8.771 -50.182 1.00 -6.49 N ATOM 165 1HZ LYS A 11 8.855 -8.224 -50.235 1.00 -6.49 H ATOM 166 2HZ LYS A 11 7.931 -9.363 -50.998 1.00 -6.49 H ATOM 167 3HZ LYS A 11 8.067 -9.354 -49.354 1.00 -6.49 H ATOM 168 N LYS A 12 2.478 -8.482 -44.605 1.00-14.57 N ATOM 169 H LYS A 12 3.009 -7.698 -44.269 1.00-14.57 H ATOM 170 CA LYS A 12 1.832 -9.349 -43.596 1.00-14.57 C ATOM 171 HA LYS A 12 2.083 -8.948 -42.615 1.00-14.57 H ATOM 172 C LYS A 12 2.306 -10.811 -43.589 1.00-14.57 C ATOM 173 O LYS A 12 1.576 -11.688 -43.144 1.00-14.57 O ATOM 174 CB LYS A 12 0.296 -9.322 -43.717 1.00-14.57 C ATOM 175 1HB LYS A 12 0.011 -9.804 -44.652 1.00-14.57 H ATOM 176 2HB LYS A 12 -0.124 -9.910 -42.899 1.00-14.57 H ATOM 177 CG LYS A 12 -0.351 -7.945 -43.672 1.00-14.57 C ATOM 178 1HG LYS A 12 -0.087 -7.450 -42.737 1.00-14.57 H ATOM 179 2HG LYS A 12 -0.004 -7.346 -44.514 1.00-14.57 H ATOM 180 CD LYS A 12 -1.865 -8.102 -43.757 1.00-14.57 C ATOM 181 1HD LYS A 12 -2.111 -8.648 -44.669 1.00-14.57 H ATOM 182 2HD LYS A 12 -2.209 -8.679 -42.896 1.00-14.57 H ATOM 183 CE LYS A 12 -2.575 -6.754 -43.774 1.00-14.57 C ATOM 184 1HE LYS A 12 -2.315 -6.202 -42.868 1.00-14.57 H ATOM 185 2HE LYS A 12 -2.237 -6.184 -44.643 1.00-14.57 H ATOM 186 NZ LYS A 12 -4.069 -6.934 -43.843 1.00-14.57 N ATOM 187 1HZ LYS A 12 -4.526 -6.032 -43.851 1.00-14.57 H ATOM 188 2HZ LYS A 12 -4.388 -7.460 -43.040 1.00-14.57 H ATOM 189 3HZ LYS A 12 -4.315 -7.438 -44.685 1.00-14.57 H ATOM 190 N GLY A 13 3.521 -11.077 -44.042 1.00 12.31 N ATOM 191 H GLY A 13 4.122 -10.345 -44.401 1.00 12.31 H ATOM 192 CA GLY A 13 4.062 -12.428 -44.018 1.00 12.31 C ATOM 193 1HA GLY A 13 3.784 -12.928 -43.091 1.00 12.31 H ATOM 194 2HA GLY A 13 3.683 -12.993 -44.870 1.00 12.31 H ATOM 195 C GLY A 13 5.568 -12.320 -44.099 1.00 12.31 C ATOM 196 O GLY A 13 6.091 -11.236 -43.852 1.00 12.31 O ATOM 197 N CYS A 14 6.267 -13.386 -44.463 1.00-22.42 N ATOM 198 H CYS A 14 5.796 -14.255 -44.669 1.00-22.42 H ATOM 199 CA CYS A 14 7.713 -13.334 -44.672 1.00-22.42 C ATOM 200 HA CYS A 14 8.050 -12.312 -44.605 1.00-22.42 H ATOM 201 C CYS A 14 7.954 -13.789 -46.103 1.00-22.42 C ATOM 202 O CYS A 14 7.179 -14.575 -46.644 1.00-22.42 O ATOM 203 CB CYS A 14 8.478 -14.151 -43.631 1.00-22.42 C ATOM 204 1HB CYS A 14 8.105 -15.175 -43.648 1.00-22.42 H ATOM 205 2HB CYS A 14 9.536 -14.161 -43.900 1.00-22.42 H ATOM 206 SG CYS A 14 8.313 -13.481 -41.939 1.00-22.42 S ATOM 207 N SER A 15 8.914 -13.154 -46.755 1.00 0.63 N ATOM 208 H SER A 15 9.632 -12.646 -46.234 1.00 0.63 H ATOM 209 CA SER A 15 8.938 -13.044 -48.208 1.00 0.63 C ATOM 210 HA SER A 15 8.715 -14.005 -48.673 1.00 0.63 H ATOM 211 C SER A 15 10.317 -12.555 -48.634 1.00 0.63 C ATOM 212 O SER A 15 11.212 -12.429 -47.806 1.00 0.63 O ATOM 213 CB SER A 15 7.883 -12.011 -48.614 1.00 0.63 C ATOM 214 1HB SER A 15 7.843 -11.930 -49.700 1.00 0.63 H ATOM 215 2HB SER A 15 6.908 -12.341 -48.253 1.00 0.63 H ATOM 216 OG SER A 15 8.175 -10.741 -48.050 1.00 0.63 O ATOM 217 HG SER A 15 8.833 -10.861 -47.351 1.00 0.63 H ATOM 218 N VAL A 16 10.471 -12.199 -49.898 1.00 14.52 N ATOM 219 H VAL A 16 9.732 -12.346 -50.569 1.00 14.52 H ATOM 220 CA VAL A 16 11.658 -11.501 -50.374 1.00 14.52 C ATOM 221 HA VAL A 16 12.260 -11.152 -49.537 1.00 14.52 H ATOM 222 C VAL A 16 11.046 -10.316 -51.110 1.00 14.52 C ATOM 223 O VAL A 16 9.962 -10.454 -51.677 1.00 14.52 O ATOM 224 CB VAL A 16 12.512 -12.419 -51.303 1.00 14.52 C ATOM 225 HB VAL A 16 11.925 -12.644 -52.187 1.00 14.52 H ATOM 226 CG1 VAL A 16 13.816 -11.744 -51.736 1.00 14.52 C ATOM 227 1HG1 VAL A 16 14.375 -12.416 -52.390 1.00 14.52 H ATOM 228 2HG1 VAL A 16 14.429 -11.506 -50.865 1.00 14.52 H ATOM 229 3HG1 VAL A 16 13.607 -10.834 -52.286 1.00 14.52 H ATOM 230 CG2 VAL A 16 12.851 -13.749 -50.607 1.00 14.52 C ATOM 231 1HG2 VAL A 16 13.514 -14.342 -51.240 1.00 14.52 H ATOM 232 2HG2 VAL A 16 11.943 -14.327 -50.444 1.00 14.52 H ATOM 233 3HG2 VAL A 16 13.335 -13.565 -49.648 1.00 14.52 H ATOM 234 N ASP A 17 11.695 -9.162 -51.128 1.00 19.31 N ATOM 235 H ASP A 17 12.558 -9.073 -50.587 1.00 19.31 H ATOM 236 CA ASP A 17 11.222 -7.987 -51.881 1.00 19.31 C ATOM 237 HA ASP A 17 10.135 -7.995 -51.924 1.00 19.31 H ATOM 238 C ASP A 17 11.733 -8.036 -53.332 1.00 19.31 C ATOM 239 O ASP A 17 11.868 -7.017 -54.005 1.00 19.31 O ATOM 240 CB ASP A 17 11.663 -6.684 -51.198 1.00 19.31 C ATOM 241 1HB ASP A 17 12.705 -6.768 -50.888 1.00 19.31 H ATOM 242 2HB ASP A 17 11.575 -5.866 -51.908 1.00 19.31 H ATOM 243 CG ASP A 17 10.794 -6.297 -50.013 1.00 19.31 C ATOM 244 OD1 ASP A 17 10.132 -7.144 -49.373 1.00 19.31 O ATOM 245 OD2 ASP A 17 10.765 -5.089 -49.713 1.00 19.31 O ATOM 246 N TRP A 18 12.022 -9.247 -53.788 1.00 4.55 N ATOM 247 H TRP A 18 11.841 -10.020 -53.166 1.00 4.55 H ATOM 248 CA TRP A 18 12.525 -9.597 -55.124 1.00 4.55 C ATOM 249 HA TRP A 18 13.146 -10.481 -54.979 1.00 4.55 H ATOM 250 C TRP A 18 13.426 -8.616 -55.877 1.00 4.55 C ATOM 251 O TRP A 18 14.638 -8.697 -55.737 1.00 4.55 O ATOM 252 CB TRP A 18 11.352 -10.051 -55.996 1.00 4.55 C ATOM 253 1HB TRP A 18 10.714 -9.199 -56.233 1.00 4.55 H ATOM 254 2HB TRP A 18 11.744 -10.472 -56.922 1.00 4.55 H ATOM 255 CG TRP A 18 10.519 -11.090 -55.300 1.00 4.55 C ATOM 256 CD1 TRP A 18 9.230 -10.965 -54.886 1.00 4.55 C ATOM 257 HD1 TRP A 18 8.631 -10.075 -55.032 1.00 4.55 H ATOM 258 CD2 TRP A 18 10.916 -12.423 -54.918 1.00 4.55 C ATOM 259 NE1 TRP A 18 8.789 -12.102 -54.266 1.00 4.55 N ATOM 260 HE1 TRP A 18 7.858 -12.229 -53.899 1.00 4.55 H ATOM 261 CE2 TRP A 18 9.809 -13.012 -54.239 1.00 4.55 C ATOM 262 CE3 TRP A 18 12.103 -13.172 -55.057 1.00 4.55 C ATOM 263 HE3 TRP A 18 12.954 -12.762 -55.580 1.00 4.55 H ATOM 264 CZ2 TRP A 18 9.866 -14.308 -53.687 1.00 4.55 C ATOM 265 HZ2 TRP A 18 9.012 -14.733 -53.181 1.00 4.55 H ATOM 266 CZ3 TRP A 18 12.164 -14.478 -54.503 1.00 4.55 C ATOM 267 HZ3 TRP A 18 13.067 -15.064 -54.607 1.00 4.55 H ATOM 268 CH2 TRP A 18 11.040 -15.028 -53.820 1.00 4.55 C ATOM 269 HH2 TRP A 18 11.104 -16.027 -53.410 1.00 4.55 H ATOM 270 N GLY A 19 12.885 -7.680 -56.646 1.00 -0.19 N ATOM 271 H GLY A 19 11.882 -7.599 -56.707 1.00 -0.19 H ATOM 272 CA GLY A 19 13.730 -6.748 -57.381 1.00 -0.19 C ATOM 273 1HA GLY A 19 14.416 -7.313 -58.012 1.00 -0.19 H ATOM 274 2HA GLY A 19 13.106 -6.119 -58.016 1.00 -0.19 H ATOM 275 C GLY A 19 14.554 -5.862 -56.465 1.00 -0.19 C ATOM 276 O GLY A 19 15.701 -5.533 -56.760 1.00 -0.19 O ATOM 277 N LYS A 20 14.013 -5.527 -55.301 1.00 -7.51 N ATOM 278 H LYS A 20 13.076 -5.853 -55.068 1.00 -7.51 H ATOM 279 CA LYS A 20 14.758 -4.733 -54.324 1.00 -7.51 C ATOM 280 HA LYS A 20 15.190 -3.864 -54.823 1.00 -7.51 H ATOM 281 C LYS A 20 15.892 -5.570 -53.751 1.00 -7.51 C ATOM 282 O LYS A 20 16.973 -5.060 -53.500 1.00 -7.51 O ATOM 283 CB LYS A 20 13.818 -4.266 -53.212 1.00 -7.51 C ATOM 284 1HB LYS A 20 12.945 -3.808 -53.678 1.00 -7.51 H ATOM 285 2HB LYS A 20 13.496 -5.137 -52.654 1.00 -7.51 H ATOM 286 CG LYS A 20 14.416 -3.266 -52.233 1.00 -7.51 C ATOM 287 1HG LYS A 20 15.259 -3.721 -51.714 1.00 -7.51 H ATOM 288 2HG LYS A 20 14.763 -2.392 -52.785 1.00 -7.51 H ATOM 289 CD LYS A 20 13.369 -2.829 -51.216 1.00 -7.51 C ATOM 290 1HD LYS A 20 12.508 -2.427 -51.751 1.00 -7.51 H ATOM 291 2HD LYS A 20 13.049 -3.691 -50.628 1.00 -7.51 H ATOM 292 CE LYS A 20 13.925 -1.756 -50.288 1.00 -7.51 C ATOM 293 1HE LYS A 20 14.750 -2.178 -49.709 1.00 -7.51 H ATOM 294 2HE LYS A 20 14.306 -0.930 -50.892 1.00 -7.51 H ATOM 295 NZ LYS A 20 12.865 -1.236 -49.359 1.00 -7.51 N ATOM 296 1HZ LYS A 20 13.256 -0.539 -48.740 1.00 -7.51 H ATOM 297 2HZ LYS A 20 12.489 -1.998 -48.803 1.00 -7.51 H ATOM 298 3HZ LYS A 20 12.111 -0.825 -49.891 1.00 -7.51 H ATOM 299 N ALA A 21 15.664 -6.865 -53.588 1.00 7.02 N ATOM 300 H ALA A 21 14.771 -7.254 -53.844 1.00 7.02 H ATOM 301 CA ALA A 21 16.705 -7.749 -53.079 1.00 7.02 C ATOM 302 HA ALA A 21 17.119 -7.314 -52.169 1.00 7.02 H ATOM 303 C ALA A 21 17.834 -7.857 -54.100 1.00 7.02 C ATOM 304 O ALA A 21 18.994 -7.816 -53.729 1.00 7.02 O ATOM 305 CB ALA A 21 16.131 -9.130 -52.755 1.00 7.02 C ATOM 306 1HB ALA A 21 15.289 -9.031 -52.073 1.00 7.02 H ATOM 307 2HB ALA A 21 16.905 -9.736 -52.278 1.00 7.02 H ATOM 308 3HB ALA A 21 15.806 -9.631 -53.667 1.00 7.02 H ATOM 309 N ILE A 22 17.495 -7.944 -55.379 1.00-24.10 N ATOM 310 H ILE A 22 16.512 -8.000 -55.629 1.00-24.10 H ATOM 311 CA ILE A 22 18.500 -7.985 -56.446 1.00-24.10 C ATOM 312 HA ILE A 22 19.193 -8.801 -56.248 1.00-24.10 H ATOM 313 C ILE A 22 19.306 -6.685 -56.417 1.00-24.10 C ATOM 314 O ILE A 22 20.530 -6.713 -56.510 1.00-24.10 O ATOM 315 CB ILE A 22 17.842 -8.229 -57.840 1.00-24.10 C ATOM 316 HB ILE A 22 17.083 -7.465 -58.003 1.00-24.10 H ATOM 317 CG1 ILE A 22 17.168 -9.619 -57.858 1.00-24.10 C ATOM 318 1HG1 ILE A 22 17.949 -10.380 -57.877 1.00-24.10 H ATOM 319 2HG1 ILE A 22 16.603 -9.757 -56.941 1.00-24.10 H ATOM 320 CG2 ILE A 22 18.887 -8.139 -58.985 1.00-24.10 C ATOM 321 1HG2 ILE A 22 18.412 -8.308 -59.951 1.00-24.10 H ATOM 322 2HG2 ILE A 22 19.675 -8.881 -58.837 1.00-24.10 H ATOM 323 3HG2 ILE A 22 19.339 -7.146 -59.005 1.00-24.10 H ATOM 324 CD1 ILE A 22 16.207 -9.876 -59.030 1.00-24.10 C ATOM 325 1HD1 ILE A 22 15.729 -10.847 -58.894 1.00-24.10 H ATOM 326 2HD1 ILE A 22 16.752 -9.883 -59.974 1.00-24.10 H ATOM 327 3HD1 ILE A 22 15.439 -9.103 -59.058 1.00-24.10 H ATOM 328 N GLY A 23 18.654 -5.553 -56.195 1.00 0.38 N ATOM 329 H GLY A 23 17.640 -5.551 -56.143 1.00 0.38 H ATOM 330 CA GLY A 23 19.383 -4.303 -56.037 1.00 0.38 C ATOM 331 1HA GLY A 23 19.962 -4.120 -56.943 1.00 0.38 H ATOM 332 2HA GLY A 23 18.670 -3.490 -55.911 1.00 0.38 H ATOM 333 C GLY A 23 20.341 -4.294 -54.857 1.00 0.38 C ATOM 334 O GLY A 23 21.454 -3.788 -54.962 1.00 0.38 O ATOM 335 N ILE A 24 19.952 -4.877 -53.733 1.00 1.29 N ATOM 336 H ILE A 24 19.021 -5.279 -53.677 1.00 1.29 H ATOM 337 CA ILE A 24 20.823 -4.940 -52.554 1.00 1.29 C ATOM 338 HA ILE A 24 21.270 -3.958 -52.408 1.00 1.29 H ATOM 339 C ILE A 24 21.976 -5.925 -52.800 1.00 1.29 C ATOM 340 O ILE A 24 23.111 -5.651 -52.410 1.00 1.29 O ATOM 341 CB ILE A 24 20.006 -5.278 -51.265 1.00 1.29 C ATOM 342 HB ILE A 24 19.475 -6.217 -51.421 1.00 1.29 H ATOM 343 CG1 ILE A 24 18.987 -4.150 -50.989 1.00 1.29 C ATOM 344 1HG1 ILE A 24 19.525 -3.292 -50.586 1.00 1.29 H ATOM 345 2HG1 ILE A 24 18.532 -3.834 -51.923 1.00 1.29 H ATOM 346 CG2 ILE A 24 20.933 -5.413 -50.033 1.00 1.29 C ATOM 347 1HG2 ILE A 24 20.350 -5.547 -49.123 1.00 1.29 H ATOM 348 2HG2 ILE A 24 21.559 -4.526 -49.925 1.00 1.29 H ATOM 349 3HG2 ILE A 24 21.574 -6.286 -50.153 1.00 1.29 H ATOM 350 CD1 ILE A 24 17.845 -4.505 -50.029 1.00 1.29 C ATOM 351 1HD1 ILE A 24 17.181 -3.647 -49.929 1.00 1.29 H ATOM 352 2HD1 ILE A 24 18.239 -4.763 -49.046 1.00 1.29 H ATOM 353 3HD1 ILE A 24 17.281 -5.345 -50.432 1.00 1.29 H ATOM 354 N ILE A 25 21.741 -7.015 -53.518 1.00-14.67 N ATOM 355 H ILE A 25 20.786 -7.234 -53.793 1.00-14.67 H ATOM 356 CA ILE A 25 22.823 -7.918 -53.934 1.00-14.67 C ATOM 357 HA ILE A 25 23.379 -8.242 -53.055 1.00-14.67 H ATOM 358 C ILE A 25 23.782 -7.143 -54.842 1.00-14.67 C ATOM 359 O ILE A 25 25.002 -7.219 -54.678 1.00-14.67 O ATOM 360 CB ILE A 25 22.273 -9.181 -54.675 1.00-14.67 C ATOM 361 HB ILE A 25 21.628 -8.852 -55.488 1.00-14.67 H ATOM 362 CG1 ILE A 25 21.449 -10.044 -53.701 1.00-14.67 C ATOM 363 1HG1 ILE A 25 22.141 -10.558 -53.034 1.00-14.67 H ATOM 364 2HG1 ILE A 25 20.828 -9.397 -53.087 1.00-14.67 H ATOM 365 CG2 ILE A 25 23.420 -10.042 -55.273 1.00-14.67 C ATOM 366 1HG2 ILE A 25 23.014 -10.923 -55.769 1.00-14.67 H ATOM 367 2HG2 ILE A 25 24.108 -10.356 -54.486 1.00-14.67 H ATOM 368 3HG2 ILE A 25 23.971 -9.467 -56.018 1.00-14.67 H ATOM 369 CD1 ILE A 25 20.526 -11.088 -54.349 1.00-14.67 C ATOM 370 1HD1 ILE A 25 19.943 -11.584 -53.573 1.00-14.67 H ATOM 371 2HD1 ILE A 25 21.113 -11.835 -54.883 1.00-14.67 H ATOM 372 3HD1 ILE A 25 19.844 -10.598 -55.043 1.00-14.67 H ATOM 373 N GLY A 26 23.249 -6.339 -55.750 1.00 -8.34 N ATOM 374 H GLY A 26 22.237 -6.310 -55.867 1.00 -8.34 H ATOM 375 CA GLY A 26 24.082 -5.500 -56.594 1.00 -8.34 C ATOM 376 1HA GLY A 26 24.755 -6.136 -57.169 1.00 -8.34 H ATOM 377 2HA GLY A 26 23.450 -4.939 -57.282 1.00 -8.34 H ATOM 378 C GLY A 26 24.915 -4.525 -55.784 1.00 -8.34 C ATOM 379 O GLY A 26 26.117 -4.400 -56.010 1.00 -8.34 O ATOM 380 N ASN A 27 24.323 -3.882 -54.789 1.00-21.53 N ATOM 381 H ASN A 27 23.324 -4.009 -54.639 1.00-21.53 H ATOM 382 CA ASN A 27 25.072 -2.962 -53.932 1.00-21.53 C ATOM 383 HA ASN A 27 25.574 -2.231 -54.568 1.00-21.53 H ATOM 384 C ASN A 27 26.144 -3.689 -53.126 1.00-21.53 C ATOM 385 O ASN A 27 27.220 -3.149 -52.890 1.00-21.53 O ATOM 386 CB ASN A 27 24.136 -2.225 -52.968 1.00-21.53 C ATOM 387 1HB ASN A 27 23.513 -2.948 -52.445 1.00-21.53 H ATOM 388 2HB ASN A 27 24.742 -1.693 -52.236 1.00-21.53 H ATOM 389 CG ASN A 27 23.260 -1.218 -53.666 1.00-21.53 C ATOM 390 OD1 ASN A 27 23.689 -0.527 -54.571 1.00-21.53 O ATOM 391 ND2 ASN A 27 22.031 -1.110 -53.240 1.00-21.53 N ATOM 392 1HD2 ASN A 27 21.434 -0.442 -53.693 1.00-21.53 H ATOM 393 2HD2 ASN A 27 21.701 -1.694 -52.496 1.00-21.53 H ATOM 394 N ASN A 28 25.887 -4.924 -52.724 1.00-17.72 N ATOM 395 H ASN A 28 24.968 -5.326 -52.897 1.00-17.72 H ATOM 396 CA ASN A 28 26.897 -5.712 -52.019 1.00-17.72 C ATOM 397 HA ASN A 28 27.321 -5.112 -51.212 1.00-17.72 H ATOM 398 C ASN A 28 28.034 -6.093 -52.958 1.00-17.72 C ATOM 399 O ASN A 28 29.199 -6.096 -52.559 1.00-17.72 O ATOM 400 CB ASN A 28 26.290 -6.984 -51.420 1.00-17.72 C ATOM 401 1HB ASN A 28 25.519 -7.372 -52.082 1.00-17.72 H ATOM 402 2HB ASN A 28 27.077 -7.731 -51.325 1.00-17.72 H ATOM 403 CG ASN A 28 25.720 -6.758 -50.048 1.00-17.72 C ATOM 404 OD1 ASN A 28 26.453 -6.633 -49.085 1.00-17.72 O ATOM 405 ND2 ASN A 28 24.425 -6.703 -49.940 1.00-17.72 N ATOM 406 1HD2 ASN A 28 24.026 -6.597 -49.026 1.00-17.72 H ATOM 407 2HD2 ASN A 28 23.841 -6.750 -50.764 1.00-17.72 H ATOM 408 N SER A 29 27.733 -6.400 -54.212 1.00 5.79 N ATOM 409 H SER A 29 26.757 -6.452 -54.503 1.00 5.79 H ATOM 410 CA SER A 29 28.794 -6.712 -55.167 1.00 5.79 C ATOM 411 HA SER A 29 29.448 -7.453 -54.710 1.00 5.79 H ATOM 412 C SER A 29 29.627 -5.464 -55.453 1.00 5.79 C ATOM 413 O SER A 29 30.847 -5.545 -55.560 1.00 5.79 O ATOM 414 CB SER A 29 28.239 -7.318 -56.461 1.00 5.79 C ATOM 415 1HB SER A 29 29.074 -7.693 -57.054 1.00 5.79 H ATOM 416 2HB SER A 29 27.591 -8.157 -56.207 1.00 5.79 H ATOM 417 OG SER A 29 27.513 -6.394 -57.253 1.00 5.79 O ATOM 418 HG SER A 29 26.949 -5.842 -56.691 1.00 5.79 H ATOM 419 N ALA A 30 28.991 -4.300 -55.494 1.00-10.58 N ATOM 420 H ALA A 30 27.979 -4.279 -55.423 1.00-10.58 H ATOM 421 CA ALA A 30 29.703 -3.041 -55.686 1.00-10.58 C ATOM 422 HA ALA A 30 30.349 -3.142 -56.558 1.00-10.58 H ATOM 423 C ALA A 30 30.586 -2.717 -54.476 1.00-10.58 C ATOM 424 O ALA A 30 31.703 -2.231 -54.632 1.00-10.58 O ATOM 425 CB ALA A 30 28.697 -1.912 -55.944 1.00-10.58 C ATOM 426 1HB ALA A 30 28.082 -2.156 -56.812 1.00-10.58 H ATOM 427 2HB ALA A 30 29.234 -0.983 -56.139 1.00-10.58 H ATOM 428 3HB ALA A 30 28.052 -1.775 -55.075 1.00-10.58 H ATOM 429 N ALA A 31 30.109 -3.009 -53.274 1.00-18.35 N ATOM 430 H ALA A 31 29.158 -3.354 -53.182 1.00-18.35 H ATOM 431 CA ALA A 31 30.908 -2.803 -52.070 1.00-18.35 C ATOM 432 HA ALA A 31 31.254 -1.769 -52.055 1.00-18.35 H ATOM 433 C ALA A 31 32.135 -3.719 -52.089 1.00-18.35 C ATOM 434 O ALA A 31 33.250 -3.295 -51.783 1.00-18.35 O ATOM 435 CB ALA A 31 30.051 -3.062 -50.822 1.00-18.35 C ATOM 436 1HB ALA A 31 29.190 -2.391 -50.823 1.00-18.35 H ATOM 437 2HB ALA A 31 30.646 -2.875 -49.927 1.00-18.35 H ATOM 438 3HB ALA A 31 29.701 -4.094 -50.809 1.00-18.35 H ATOM 439 N ASN A 32 31.944 -4.968 -52.485 1.00-20.96 N ATOM 440 H ASN A 32 31.001 -5.282 -52.697 1.00-20.96 H ATOM 441 CA ASN A 32 33.059 -5.908 -52.600 1.00-20.96 C ATOM 442 HA ASN A 32 33.595 -5.945 -51.650 1.00-20.96 H ATOM 443 C ASN A 32 34.048 -5.461 -53.671 1.00-20.96 C ATOM 444 O ASN A 32 35.255 -5.540 -53.473 1.00-20.96 O ATOM 445 CB ASN A 32 32.550 -7.313 -52.923 1.00-20.96 C ATOM 446 1HB ASN A 32 31.679 -7.247 -53.570 1.00-20.96 H ATOM 447 2HB ASN A 32 33.336 -7.856 -53.448 1.00-20.96 H ATOM 448 CG ASN A 32 32.212 -8.095 -51.684 1.00-20.96 C ATOM 449 OD1 ASN A 32 33.082 -8.657 -51.048 1.00-20.96 O ATOM 450 ND2 ASN A 32 30.961 -8.128 -51.321 1.00-20.96 N ATOM 451 1HD2 ASN A 32 30.714 -8.666 -50.510 1.00-20.96 H ATOM 452 2HD2 ASN A 32 30.267 -7.598 -51.832 1.00-20.96 H ATOM 453 N LEU A 33 33.555 -4.940 -54.786 1.00-27.13 N ATOM 454 H LEU A 33 32.548 -4.924 -54.931 1.00-27.13 H ATOM 455 CA LEU A 33 34.425 -4.416 -55.837 1.00-27.13 C ATOM 456 HA LEU A 33 35.128 -5.195 -56.129 1.00-27.13 H ATOM 457 C LEU A 33 35.222 -3.213 -55.341 1.00-27.13 C ATOM 458 O LEU A 33 36.425 -3.109 -55.580 1.00-27.13 O ATOM 459 CB LEU A 33 33.578 -4.019 -57.052 1.00-27.13 C ATOM 460 1HB LEU A 33 32.993 -4.889 -57.351 1.00-27.13 H ATOM 461 2HB LEU A 33 32.880 -3.248 -56.735 1.00-27.13 H ATOM 462 CG LEU A 33 34.315 -3.491 -58.293 1.00-27.13 C ATOM 463 HG LEU A 33 34.888 -2.609 -58.009 1.00-27.13 H ATOM 464 CD1 LEU A 33 35.277 -4.516 -58.894 1.00-27.13 C ATOM 465 1HD1 LEU A 33 35.727 -4.111 -59.801 1.00-27.13 H ATOM 466 2HD1 LEU A 33 34.743 -5.436 -59.140 1.00-27.13 H ATOM 467 3HD1 LEU A 33 36.075 -4.739 -58.186 1.00-27.13 H ATOM 468 CD2 LEU A 33 33.290 -3.072 -59.341 1.00-27.13 C ATOM 469 1HD2 LEU A 33 33.800 -2.658 -60.211 1.00-27.13 H ATOM 470 2HD2 LEU A 33 32.631 -2.306 -58.931 1.00-27.13 H ATOM 471 3HD2 LEU A 33 32.693 -3.931 -59.652 1.00-27.13 H ATOM 472 N ALA A 34 34.578 -2.322 -54.601 1.00 -9.35 N ATOM 473 H ALA A 34 33.578 -2.435 -54.440 1.00 -9.35 H ATOM 474 CA ALA A 34 35.259 -1.164 -54.033 1.00 -9.35 C ATOM 475 HA ALA A 34 35.744 -0.620 -54.843 1.00 -9.35 H ATOM 476 C ALA A 34 36.338 -1.599 -53.036 1.00 -9.35 C ATOM 477 O ALA A 34 37.415 -0.996 -52.984 1.00 -9.35 O ATOM 478 CB ALA A 34 34.235 -0.241 -53.359 1.00 -9.35 C ATOM 479 1HB ALA A 34 33.483 0.069 -54.087 1.00 -9.35 H ATOM 480 2HB ALA A 34 34.736 0.641 -52.962 1.00 -9.35 H ATOM 481 3HB ALA A 34 33.739 -0.768 -52.541 1.00 -9.35 H ATOM 482 N THR A 35 36.058 -2.647 -52.276 1.00-18.63 N ATOM 483 H THR A 35 35.137 -3.074 -52.346 1.00-18.63 H ATOM 484 CA THR A 35 37.006 -3.201 -51.308 1.00-18.63 C ATOM 485 HA THR A 35 37.410 -2.381 -50.716 1.00-18.63 H ATOM 486 C THR A 35 38.170 -3.907 -52.003 1.00-18.63 C ATOM 487 O THR A 35 39.322 -3.718 -51.625 1.00-18.63 O ATOM 488 CB THR A 35 36.289 -4.185 -50.355 1.00-18.63 C ATOM 489 HB THR A 35 35.948 -5.057 -50.914 1.00-18.63 H ATOM 490 OG1 THR A 35 35.161 -3.523 -49.776 1.00-18.63 O ATOM 491 HG1 THR A 35 34.455 -3.472 -50.436 1.00-18.63 H ATOM 492 CG2 THR A 35 37.172 -4.632 -49.205 1.00-18.63 C ATOM 493 1HG2 THR A 35 36.591 -5.271 -48.540 1.00-18.63 H ATOM 494 2HG2 THR A 35 37.523 -3.764 -48.646 1.00-18.63 H ATOM 495 3HG2 THR A 35 38.026 -5.196 -49.581 1.00-18.63 H ATOM 496 N GLY A 36 37.912 -4.648 -53.071 1.00 -1.61 N ATOM 497 H GLY A 36 36.947 -4.818 -53.355 1.00 -1.61 H ATOM 498 CA GLY A 36 38.993 -5.252 -53.838 1.00 -1.61 C ATOM 499 1HA GLY A 36 39.617 -5.848 -53.171 1.00 -1.61 H ATOM 500 2HA GLY A 36 38.580 -5.895 -54.614 1.00 -1.61 H ATOM 501 C GLY A 36 39.851 -4.178 -54.477 1.00 -1.61 C ATOM 502 O GLY A 36 41.076 -4.249 -54.502 1.00 -1.61 O ATOM 503 N GLY A 37 39.210 -3.106 -54.914 1.00 -2.48 N ATOM 504 H GLY A 37 38.192 -3.083 -54.896 1.00 -2.48 H ATOM 505 CA GLY A 37 39.938 -1.964 -55.435 1.00 -2.48 C ATOM 506 1HA GLY A 37 40.642 -2.311 -56.192 1.00 -2.48 H ATOM 507 2HA GLY A 37 39.233 -1.279 -55.903 1.00 -2.48 H ATOM 508 C GLY A 37 40.721 -1.214 -54.374 1.00 -2.48 C ATOM 509 O GLY A 37 41.621 -0.471 -54.720 1.00 -2.48 O ATOM 510 N ALA A 38 40.391 -1.377 -53.098 1.00 -0.81 N ATOM 511 H ALA A 38 39.622 -1.990 -52.854 1.00 -0.81 H ATOM 512 CA ALA A 38 41.131 -0.741 -52.005 1.00 -0.81 C ATOM 513 HA ALA A 38 41.504 0.231 -52.331 1.00 -0.81 H ATOM 514 C ALA A 38 42.336 -1.607 -51.627 1.00 -0.81 C ATOM 515 O ALA A 38 43.352 -1.114 -51.172 1.00 -0.81 O ATOM 516 CB ALA A 38 40.212 -0.539 -50.791 1.00 -0.81 C ATOM 517 1HB ALA A 38 39.322 0.019 -51.077 1.00 -0.81 H ATOM 518 2HB ALA A 38 40.754 0.019 -50.024 1.00 -0.81 H ATOM 519 3HB ALA A 38 39.918 -1.505 -50.378 1.00 -0.81 H ATOM 520 N ALA A 39 42.223 -2.910 -51.846 1.00-11.27 N ATOM 521 H ALA A 39 41.340 -3.303 -52.144 1.00-11.27 H ATOM 522 CA ALA A 39 43.363 -3.800 -51.651 1.00-11.27 C ATOM 523 HA ALA A 39 43.823 -3.584 -50.685 1.00-11.27 H ATOM 524 C ALA A 39 44.405 -3.544 -52.748 1.00-11.27 C ATOM 525 O ALA A 39 45.599 -3.712 -52.536 1.00-11.27 O ATOM 526 CB ALA A 39 42.893 -5.261 -51.667 1.00-11.27 C ATOM 527 1HB ALA A 39 42.145 -5.416 -50.889 1.00-11.27 H ATOM 528 2HB ALA A 39 43.746 -5.914 -51.479 1.00-11.27 H ATOM 529 3HB ALA A 39 42.466 -5.506 -52.640 1.00-11.27 H ATOM 530 N GLY A 40 43.931 -3.146 -53.922 1.00 9.71 N ATOM 531 H GLY A 40 42.932 -3.087 -54.057 1.00 9.71 H ATOM 532 CA GLY A 40 44.821 -2.841 -55.032 1.00 9.71 C ATOM 533 1HA GLY A 40 45.674 -3.519 -54.993 1.00 9.71 H ATOM 534 2HA GLY A 40 44.284 -3.028 -55.961 1.00 9.71 H ATOM 535 C GLY A 40 45.359 -1.422 -55.088 1.00 9.71 C ATOM 536 O GLY A 40 46.428 -1.202 -55.650 1.00 9.71 O ATOM 537 N TRP A 41 44.635 -0.452 -54.542 1.00-14.02 N ATOM 538 H TRP A 41 43.766 -0.664 -54.073 1.00-14.02 H ATOM 539 CA TRP A 41 45.038 0.953 -54.609 1.00-14.02 C ATOM 540 HA TRP A 41 46.094 1.016 -54.866 1.00-14.02 H ATOM 541 C TRP A 41 44.797 1.636 -53.273 1.00-14.02 C ATOM 542 O TRP A 41 43.747 1.439 -52.667 1.00-14.02 O ATOM 543 CB TRP A 41 44.213 1.692 -55.668 1.00-14.02 C ATOM 544 1HB TRP A 41 43.169 1.694 -55.356 1.00-14.02 H ATOM 545 2HB TRP A 41 44.556 2.725 -55.724 1.00-14.02 H ATOM 546 CG TRP A 41 44.296 1.067 -57.030 1.00-14.02 C ATOM 547 CD1 TRP A 41 43.450 0.143 -57.558 1.00-14.02 C ATOM 548 HD1 TRP A 41 42.593 -0.255 -57.030 1.00-14.02 H ATOM 549 CD2 TRP A 41 45.291 1.301 -58.044 1.00-14.02 C ATOM 550 NE1 TRP A 41 43.833 -0.227 -58.818 1.00-14.02 N ATOM 551 HE1 TRP A 41 43.358 -0.912 -59.384 1.00-14.02 H ATOM 552 CE2 TRP A 41 44.961 0.471 -59.155 1.00-14.02 C ATOM 553 CE3 TRP A 41 46.428 2.131 -58.131 1.00-14.02 C ATOM 554 HE3 TRP A 41 46.707 2.762 -57.301 1.00-14.02 H ATOM 555 CZ2 TRP A 41 45.728 0.455 -60.340 1.00-14.02 C ATOM 556 HZ2 TRP A 41 45.459 -0.187 -61.164 1.00-14.02 H ATOM 557 CZ3 TRP A 41 47.204 2.118 -59.322 1.00-14.02 C ATOM 558 HZ3 TRP A 41 48.079 2.746 -59.398 1.00-14.02 H ATOM 559 CH2 TRP A 41 46.841 1.275 -60.413 1.00-14.02 C ATOM 560 HH2 TRP A 41 47.447 1.271 -61.308 1.00-14.02 H ATOM 561 N SER A 42 45.735 2.468 -52.845 1.00 11.86 N ATOM 562 H SER A 42 46.574 2.611 -53.382 1.00 11.86 H ATOM 563 CA SER A 42 45.563 3.250 -51.623 1.00 11.86 C ATOM 564 HA SER A 42 45.306 2.593 -50.791 1.00 11.86 H ATOM 565 C SER A 42 44.437 4.252 -51.837 1.00 11.86 C ATOM 566 O SER A 42 44.282 4.784 -52.942 1.00 11.86 O ATOM 567 CB SER A 42 46.854 4.003 -51.324 1.00 11.86 C ATOM 568 1HB SER A 42 46.698 4.681 -50.484 1.00 11.86 H ATOM 569 2HB SER A 42 47.636 3.287 -51.071 1.00 11.86 H ATOM 570 OG SER A 42 47.251 4.729 -52.477 1.00 11.86 O ATOM 571 HG SER A 42 46.473 5.190 -52.822 1.00 11.86 H ATOM 572 N LYS A 43 43.672 4.509 -50.786 1.00-10.32 N ATOM 573 H LYS A 43 43.891 4.116 -49.875 1.00-10.32 H ATOM 574 CA LYS A 43 42.515 5.398 -50.790 1.00-10.32 C ATOM 575 HA LYS A 43 42.624 6.203 -51.514 1.00-10.32 H ATOM 576 C LYS A 43 42.567 5.936 -49.375 1.00-10.32 C ATOM 577 O LYS A 43 41.855 6.889 -49.022 1.00-10.32 O ATOM 578 OXT LYS A 43 43.354 5.305 -48.629 1.00-10.32 O ATOM 579 CB LYS A 43 41.215 4.614 -50.999 1.00-10.32 C ATOM 580 1HB LYS A 43 41.167 3.835 -50.237 1.00-10.32 H ATOM 581 2HB LYS A 43 40.371 5.289 -50.857 1.00-10.32 H ATOM 582 CG LYS A 43 41.108 3.963 -52.366 1.00-10.32 C ATOM 583 1HG LYS A 43 41.118 4.733 -53.137 1.00-10.32 H ATOM 584 2HG LYS A 43 41.961 3.307 -52.513 1.00-10.32 H ATOM 585 CD LYS A 43 39.858 3.129 -52.495 1.00-10.32 C ATOM 586 1HD LYS A 43 39.834 2.401 -51.685 1.00-10.32 H ATOM 587 2HD LYS A 43 38.980 3.772 -52.435 1.00-10.32 H ATOM 588 CE LYS A 43 39.889 2.402 -53.827 1.00-10.32 C ATOM 589 1HE LYS A 43 39.923 3.137 -54.633 1.00-10.32 H ATOM 590 2HE LYS A 43 40.799 1.795 -53.875 1.00-10.32 H ATOM 591 NZ LYS A 43 38.689 1.520 -53.989 1.00-10.32 N ATOM 592 1HZ LYS A 43 38.711 1.078 -54.897 1.00-10.32 H ATOM 593 2HZ LYS A 43 37.846 2.067 -53.900 1.00-10.32 H ATOM 594 3HZ LYS A 43 38.688 0.796 -53.277 1.00-10.32 H TER 595 LYS A 43 CONECT 131 128 206 CONECT 206 131 203 END
SEQUENCE	KYYGNGVSCNKKGCSVDWGKAIGIIGNNSAANLATGGAAGWSK
HELICITY	53.50	INSTAB. INDEX	6.27	FLEXIBILITY	18.65
a HYD. MOM.	19.28	b HYD. MOM.	4.20	c HYD. MOM	0.90
a MEAN HYD. MOM.	0.45	b MEAN HYD. MOM.	0.10	c MEAN HYD. MOM.	0.02
CHARGE pH5	4.07	CHARGE pH7	3.91	CHARGE pH9	1.85
Δ CHARGE pH5-pH9	2.22	ISOELECTRIC POINT	9.45	BOMAN INDEX	0.74
ΔG	26	CPP	-0,39	MLP	-16,53
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	Cocci	ORDER	Lactobacillales
FAMILY	Enterococcaceae	GENUS	Enterococcus	SPECIES	Enterococcus mundtii
DATE	1998
TITLE PAPER	A novel bacteriocin with a YGNGV motif from vegetable-associated Enterococcus mundtii: full characterization and interaction with target organisms