Back to Resultset

ID	2462	NAME	Sakacin 5X   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\KYYGNGLSCNKSGCSVDWSKAISIIGNNAVANLTTGGAAGWKS.pdb REMARK YASARA Written on: Wed May 14 20:46:53 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 603 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 LEU SER CYS ASN LYS SER GLY SEQRES 2 A 43 CYS SER VAL ASP TRP SER LYS ALA ILE SER ILE ILE GLY SEQRES 3 A 43 ASN ASN ALA VAL ALA ASN LEU THR THR GLY GLY ALA ALA SEQRES 4 A 43 GLY TRP LYS SER 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 11.275 7.769 -44.376 1.00-29.60 N ATOM 2 1H LYS A 1 11.470 8.358 -45.174 1.00-29.60 H ATOM 3 2H LYS A 1 10.740 8.286 -43.694 1.00-29.60 H ATOM 4 3H LYS A 1 10.729 6.977 -44.697 1.00-29.60 H ATOM 5 CA LYS A 1 12.554 7.282 -43.771 1.00-29.60 C ATOM 6 HA LYS A 1 13.133 8.129 -43.410 1.00-29.60 H ATOM 7 C LYS A 1 13.346 6.540 -44.825 1.00-29.60 C ATOM 8 O LYS A 1 12.735 5.879 -45.645 1.00-29.60 O ATOM 9 CB LYS A 1 12.248 6.322 -42.607 1.00-29.60 C ATOM 10 1HB LYS A 1 11.560 6.815 -41.920 1.00-29.60 H ATOM 11 2HB LYS A 1 11.746 5.454 -43.023 1.00-29.60 H ATOM 12 CG LYS A 1 13.459 5.820 -41.804 1.00-29.60 C ATOM 13 1HG LYS A 1 14.187 5.379 -42.483 1.00-29.60 H ATOM 14 2HG LYS A 1 13.920 6.661 -41.287 1.00-29.60 H ATOM 15 CD LYS A 1 13.063 4.750 -40.787 1.00-29.60 C ATOM 16 1HD LYS A 1 12.295 5.148 -40.121 1.00-29.60 H ATOM 17 2HD LYS A 1 12.661 3.888 -41.321 1.00-29.60 H ATOM 18 CE LYS A 1 14.272 4.306 -39.960 1.00-29.60 C ATOM 19 1HE LYS A 1 15.067 3.989 -40.641 1.00-29.60 H ATOM 20 2HE LYS A 1 14.636 5.156 -39.378 1.00-29.60 H ATOM 21 NZ LYS A 1 13.939 3.165 -39.029 1.00-29.60 N ATOM 22 1HZ LYS A 1 14.743 2.942 -38.455 1.00-29.60 H ATOM 23 2HZ LYS A 1 13.691 2.343 -39.570 1.00-29.60 H ATOM 24 3HZ LYS A 1 13.164 3.416 -38.430 1.00-29.60 H ATOM 25 N TYR A 2 14.669 6.604 -44.807 1.00 -5.08 N ATOM 26 H TYR A 2 15.164 7.109 -44.084 1.00 -5.08 H ATOM 27 CA TYR A 2 15.496 5.895 -45.777 1.00 -5.08 C ATOM 28 HA TYR A 2 14.916 5.154 -46.321 1.00 -5.08 H ATOM 29 C TYR A 2 16.567 5.224 -44.937 1.00 -5.08 C ATOM 30 O TYR A 2 16.786 5.668 -43.812 1.00 -5.08 O ATOM 31 CB TYR A 2 16.128 6.882 -46.761 1.00 -5.08 C ATOM 32 1HB TYR A 2 16.895 7.452 -46.236 1.00 -5.08 H ATOM 33 2HB TYR A 2 16.604 6.327 -47.570 1.00 -5.08 H ATOM 34 CG TYR A 2 15.130 7.864 -47.336 1.00 -5.08 C ATOM 35 CD1 TYR A 2 15.088 9.198 -46.872 1.00 -5.08 C ATOM 36 HD1 TYR A 2 15.795 9.530 -46.123 1.00 -5.08 H ATOM 37 CD2 TYR A 2 14.211 7.471 -48.329 1.00 -5.08 C ATOM 38 HD2 TYR A 2 14.224 6.457 -48.714 1.00 -5.08 H ATOM 39 CE1 TYR A 2 14.134 10.120 -47.384 1.00 -5.08 C ATOM 40 HE1 TYR A 2 14.116 11.139 -47.024 1.00 -5.08 H ATOM 41 CE2 TYR A 2 13.258 8.393 -48.837 1.00 -5.08 C ATOM 42 HE2 TYR A 2 12.554 8.085 -49.597 1.00 -5.08 H ATOM 43 CZ TYR A 2 13.232 9.705 -48.366 1.00 -5.08 C ATOM 44 OH TYR A 2 12.319 10.576 -48.899 1.00 -5.08 O ATOM 45 HH TYR A 2 12.362 11.454 -48.513 1.00 -5.08 H ATOM 46 N TYR A 3 17.238 4.220 -45.478 1.00 -3.96 N ATOM 47 H TYR A 3 16.935 3.838 -46.379 1.00 -3.96 H ATOM 48 CA TYR A 3 18.399 3.593 -44.843 1.00 -3.96 C ATOM 49 HA TYR A 3 18.597 4.063 -43.880 1.00 -3.96 H ATOM 50 C TYR A 3 19.606 3.824 -45.750 1.00 -3.96 C ATOM 51 O TYR A 3 20.526 3.016 -45.854 1.00 -3.96 O ATOM 52 CB TYR A 3 18.148 2.101 -44.618 1.00 -3.96 C ATOM 53 1HB TYR A 3 17.952 1.629 -45.579 1.00 -3.96 H ATOM 54 2HB TYR A 3 19.045 1.653 -44.191 1.00 -3.96 H ATOM 55 CG TYR A 3 16.988 1.823 -43.684 1.00 -3.96 C ATOM 56 CD1 TYR A 3 15.692 1.603 -44.186 1.00 -3.96 C ATOM 57 HD1 TYR A 3 15.518 1.650 -45.246 1.00 -3.96 H ATOM 58 CD2 TYR A 3 17.188 1.757 -42.291 1.00 -3.96 C ATOM 59 HD2 TYR A 3 18.177 1.918 -41.883 1.00 -3.96 H ATOM 60 CE1 TYR A 3 14.615 1.298 -43.322 1.00 -3.96 C ATOM 61 HE1 TYR A 3 13.636 1.106 -43.736 1.00 -3.96 H ATOM 62 CE2 TYR A 3 16.109 1.458 -41.417 1.00 -3.96 C ATOM 63 HE2 TYR A 3 16.280 1.385 -40.354 1.00 -3.96 H ATOM 64 CZ TYR A 3 14.834 1.232 -41.944 1.00 -3.96 C ATOM 65 OH TYR A 3 13.797 0.957 -41.087 1.00 -3.96 O ATOM 66 HH TYR A 3 13.011 0.660 -41.560 1.00 -3.96 H ATOM 67 N GLY A 4 19.559 4.944 -46.455 1.00 17.74 N ATOM 68 H GLY A 4 18.763 5.549 -46.360 1.00 17.74 H ATOM 69 CA GLY A 4 20.629 5.336 -47.356 1.00 17.74 C ATOM 70 1HA GLY A 4 20.584 6.413 -47.518 1.00 17.74 H ATOM 71 2HA GLY A 4 21.587 5.101 -46.893 1.00 17.74 H ATOM 72 C GLY A 4 20.569 4.645 -48.702 1.00 17.74 C ATOM 73 O GLY A 4 20.137 5.241 -49.687 1.00 17.74 O ATOM 74 N ASN A 5 20.960 3.380 -48.752 1.00 27.63 N ATOM 75 H ASN A 5 21.187 2.909 -47.880 1.00 27.63 H ATOM 76 CA ASN A 5 21.077 2.648 -50.015 1.00 27.63 C ATOM 77 HA ASN A 5 21.403 3.359 -50.773 1.00 27.63 H ATOM 78 C ASN A 5 19.757 2.055 -50.512 1.00 27.63 C ATOM 79 O ASN A 5 19.582 0.842 -50.595 1.00 27.63 O ATOM 80 CB ASN A 5 22.153 1.562 -49.916 1.00 27.63 C ATOM 81 1HB ASN A 5 23.054 1.992 -49.481 1.00 27.63 H ATOM 82 2HB ASN A 5 21.800 0.760 -49.270 1.00 27.63 H ATOM 83 CG ASN A 5 22.506 0.986 -51.269 1.00 27.63 C ATOM 84 OD1 ASN A 5 22.592 1.700 -52.255 1.00 27.63 O ATOM 85 ND2 ASN A 5 22.725 -0.298 -51.324 1.00 27.63 N ATOM 86 1HD2 ASN A 5 22.970 -0.701 -52.211 1.00 27.63 H ATOM 87 2HD2 ASN A 5 22.630 -0.863 -50.499 1.00 27.63 H ATOM 88 N GLY A 6 18.803 2.927 -50.799 1.00 16.04 N ATOM 89 H GLY A 6 18.968 3.910 -50.598 1.00 16.04 H ATOM 90 CA GLY A 6 17.560 2.535 -51.448 1.00 16.04 C ATOM 91 1HA GLY A 6 17.144 3.413 -51.939 1.00 16.04 H ATOM 92 2HA GLY A 6 17.821 1.815 -52.222 1.00 16.04 H ATOM 93 C GLY A 6 16.457 1.908 -50.616 1.00 16.04 C ATOM 94 O GLY A 6 15.274 2.155 -50.865 1.00 16.04 O ATOM 95 N LEU A 7 16.842 1.114 -49.629 1.00 6.65 N ATOM 96 H LEU A 7 17.830 0.913 -49.537 1.00 6.65 H ATOM 97 CA LEU A 7 15.917 0.544 -48.654 1.00 6.65 C ATOM 98 HA LEU A 7 15.125 -0.007 -49.160 1.00 6.65 H ATOM 99 C LEU A 7 15.319 1.712 -47.874 1.00 6.65 C ATOM 100 O LEU A 7 16.026 2.679 -47.553 1.00 6.65 O ATOM 101 CB LEU A 7 16.689 -0.390 -47.715 1.00 6.65 C ATOM 102 1HB LEU A 7 17.209 -1.126 -48.327 1.00 6.65 H ATOM 103 2HB LEU A 7 17.446 0.211 -47.216 1.00 6.65 H ATOM 104 CG LEU A 7 15.901 -1.149 -46.634 1.00 6.65 C ATOM 105 HG LEU A 7 15.297 -0.438 -46.077 1.00 6.65 H ATOM 106 CD1 LEU A 7 14.973 -2.206 -47.220 1.00 6.65 C ATOM 107 1HD1 LEU A 7 14.454 -2.727 -46.415 1.00 6.65 H ATOM 108 2HD1 LEU A 7 15.540 -2.929 -47.807 1.00 6.65 H ATOM 109 3HD1 LEU A 7 14.223 -1.735 -47.853 1.00 6.65 H ATOM 110 CD2 LEU A 7 16.872 -1.807 -45.661 1.00 6.65 C ATOM 111 1HD2 LEU A 7 16.314 -2.311 -44.871 1.00 6.65 H ATOM 112 2HD2 LEU A 7 17.509 -1.051 -45.201 1.00 6.65 H ATOM 113 3HD2 LEU A 7 17.495 -2.538 -46.180 1.00 6.65 H ATOM 114 N SER A 8 14.034 1.652 -47.572 1.00 -2.44 N ATOM 115 H SER A 8 13.479 0.825 -47.809 1.00 -2.44 H ATOM 116 CA SER A 8 13.333 2.770 -46.964 1.00 -2.44 C ATOM 117 HA SER A 8 14.025 3.356 -46.368 1.00 -2.44 H ATOM 118 C SER A 8 12.199 2.322 -46.047 1.00 -2.44 C ATOM 119 O SER A 8 11.900 1.140 -45.933 1.00 -2.44 O ATOM 120 CB SER A 8 12.802 3.642 -48.105 1.00 -2.44 C ATOM 121 1HB SER A 8 12.301 4.512 -47.691 1.00 -2.44 H ATOM 122 2HB SER A 8 13.646 3.978 -48.707 1.00 -2.44 H ATOM 123 OG SER A 8 11.906 2.934 -48.944 1.00 -2.44 O ATOM 124 HG SER A 8 11.746 3.486 -49.741 1.00 -2.44 H ATOM 125 N CYS A 9 11.557 3.280 -45.397 1.00 6.20 N ATOM 126 H CYS A 9 11.910 4.231 -45.446 1.00 6.20 H ATOM 127 CA CYS A 9 10.235 3.074 -44.815 1.00 6.20 C ATOM 128 HA CYS A 9 9.766 2.248 -45.326 1.00 6.20 H ATOM 129 C CYS A 9 9.438 4.323 -45.144 1.00 6.20 C ATOM 130 O CYS A 9 9.620 5.371 -44.515 1.00 6.20 O ATOM 131 CB CYS A 9 10.231 2.814 -43.300 1.00 6.20 C ATOM 132 1HB CYS A 9 10.686 3.667 -42.808 1.00 6.20 H ATOM 133 2HB CYS A 9 9.190 2.764 -42.973 1.00 6.20 H ATOM 134 SG CYS A 9 11.078 1.306 -42.718 1.00 6.20 S ATOM 135 N ASN A 10 8.633 4.227 -46.188 1.00 18.71 N ATOM 136 H ASN A 10 8.502 3.318 -46.631 1.00 18.71 H ATOM 137 CA ASN A 10 7.880 5.347 -46.733 1.00 18.71 C ATOM 138 HA ASN A 10 7.844 6.179 -46.029 1.00 18.71 H ATOM 139 C ASN A 10 6.475 4.821 -46.977 1.00 18.71 C ATOM 140 O ASN A 10 6.291 3.612 -47.055 1.00 18.71 O ATOM 141 CB ASN A 10 8.511 5.820 -48.048 1.00 18.71 C ATOM 142 1HB ASN A 10 8.703 4.955 -48.684 1.00 18.71 H ATOM 143 2HB ASN A 10 7.818 6.483 -48.563 1.00 18.71 H ATOM 144 CG ASN A 10 9.799 6.576 -47.834 1.00 18.71 C ATOM 145 OD1 ASN A 10 9.920 7.387 -46.922 1.00 18.71 O ATOM 146 ND2 ASN A 10 10.761 6.341 -48.671 1.00 18.71 N ATOM 147 1HD2 ASN A 10 11.633 6.823 -48.553 1.00 18.71 H ATOM 148 2HD2 ASN A 10 10.657 5.674 -49.434 1.00 18.71 H ATOM 149 N LYS A 11 5.506 5.725 -47.106 1.00 -6.57 N ATOM 150 H LYS A 11 5.747 6.700 -47.019 1.00 -6.57 H ATOM 151 CA LYS A 11 4.098 5.382 -47.383 1.00 -6.57 C ATOM 152 HA LYS A 11 3.512 6.299 -47.338 1.00 -6.57 H ATOM 153 C LYS A 11 3.510 4.426 -46.340 1.00 -6.57 C ATOM 154 O LYS A 11 2.789 3.497 -46.677 1.00 -6.57 O ATOM 155 CB LYS A 11 3.932 4.791 -48.795 1.00 -6.57 C ATOM 156 1HB LYS A 11 4.448 3.832 -48.838 1.00 -6.57 H ATOM 157 2HB LYS A 11 2.871 4.612 -48.972 1.00 -6.57 H ATOM 158 CG LYS A 11 4.460 5.670 -49.923 1.00 -6.57 C ATOM 159 1HG LYS A 11 3.952 6.634 -49.900 1.00 -6.57 H ATOM 160 2HG LYS A 11 5.532 5.823 -49.798 1.00 -6.57 H ATOM 161 CD LYS A 11 4.214 5.000 -51.269 1.00 -6.57 C ATOM 162 1HD LYS A 11 4.680 4.014 -51.263 1.00 -6.57 H ATOM 163 2HD LYS A 11 3.139 4.885 -51.417 1.00 -6.57 H ATOM 164 CE LYS A 11 4.798 5.826 -52.411 1.00 -6.57 C ATOM 165 1HE LYS A 11 4.349 6.822 -52.394 1.00 -6.57 H ATOM 166 2HE LYS A 11 5.876 5.927 -52.258 1.00 -6.57 H ATOM 167 NZ LYS A 11 4.540 5.182 -53.747 1.00 -6.57 N ATOM 168 1HZ LYS A 11 4.944 5.745 -54.484 1.00 -6.57 H ATOM 169 2HZ LYS A 11 3.544 5.097 -53.902 1.00 -6.57 H ATOM 170 3HZ LYS A 11 4.957 4.261 -53.770 1.00 -6.57 H ATOM 171 N SER A 12 3.856 4.688 -45.086 1.00 12.02 N ATOM 172 H SER A 12 4.465 5.463 -44.914 1.00 12.02 H ATOM 173 CA SER A 12 3.372 3.949 -43.912 1.00 12.02 C ATOM 174 HA SER A 12 3.849 4.402 -43.044 1.00 12.02 H ATOM 175 C SER A 12 3.704 2.457 -43.852 1.00 12.02 C ATOM 176 O SER A 12 3.085 1.713 -43.097 1.00 12.02 O ATOM 177 CB SER A 12 1.866 4.165 -43.743 1.00 12.02 C ATOM 178 1HB SER A 12 1.335 3.668 -44.555 1.00 12.02 H ATOM 179 2HB SER A 12 1.540 3.743 -42.791 1.00 12.02 H ATOM 180 OG SER A 12 1.580 5.556 -43.776 1.00 12.02 O ATOM 181 HG SER A 12 0.631 5.667 -43.672 1.00 12.02 H ATOM 182 N GLY A 13 4.708 2.030 -44.605 1.00 7.50 N ATOM 183 H GLY A 13 5.186 2.663 -45.234 1.00 7.50 H ATOM 184 CA GLY A 13 5.195 0.665 -44.539 1.00 7.50 C ATOM 185 1HA GLY A 13 4.899 0.193 -43.603 1.00 7.50 H ATOM 186 2HA GLY A 13 4.808 0.092 -45.381 1.00 7.50 H ATOM 187 C GLY A 13 6.703 0.732 -44.623 1.00 7.50 C ATOM 188 O GLY A 13 7.255 1.834 -44.639 1.00 7.50 O ATOM 189 N CYS A 14 7.366 -0.410 -44.725 1.00-15.54 N ATOM 190 H CYS A 14 6.867 -1.286 -44.728 1.00-15.54 H ATOM 191 CA CYS A 14 8.801 -0.450 -44.985 1.00-15.54 C ATOM 192 HA CYS A 14 9.172 0.551 -45.086 1.00-15.54 H ATOM 193 C CYS A 14 8.965 -1.108 -46.340 1.00-15.54 C ATOM 194 O CYS A 14 8.145 -1.932 -46.743 1.00-15.54 O ATOM 195 CB CYS A 14 9.592 -1.121 -43.867 1.00-15.54 C ATOM 196 1HB CYS A 14 9.144 -2.089 -43.642 1.00-15.54 H ATOM 197 2HB CYS A 14 10.616 -1.278 -44.206 1.00-15.54 H ATOM 198 SG CYS A 14 9.640 -0.091 -42.360 1.00-15.54 S ATOM 199 N SER A 15 9.915 -0.585 -47.093 1.00 -2.76 N ATOM 200 H SER A 15 10.709 -0.105 -46.666 1.00 -2.76 H ATOM 201 CA SER A 15 9.797 -0.491 -48.537 1.00 -2.76 C ATOM 202 HA SER A 15 9.287 -1.364 -48.945 1.00 -2.76 H ATOM 203 C SER A 15 11.190 -0.394 -49.135 1.00 -2.76 C ATOM 204 O SER A 15 12.184 -0.344 -48.420 1.00 -2.76 O ATOM 205 CB SER A 15 8.987 0.775 -48.847 1.00 -2.76 C ATOM 206 1HB SER A 15 8.975 0.959 -49.921 1.00 -2.76 H ATOM 207 2HB SER A 15 7.963 0.620 -48.507 1.00 -2.76 H ATOM 208 OG SER A 15 9.507 1.907 -48.159 1.00 -2.76 O ATOM 209 HG SER A 15 10.404 2.090 -48.489 1.00 -2.76 H ATOM 210 N VAL A 16 11.262 -0.342 -50.452 1.00 8.14 N ATOM 211 H VAL A 16 10.426 -0.415 -51.014 1.00 8.14 H ATOM 212 CA VAL A 16 12.497 -0.069 -51.169 1.00 8.14 C ATOM 213 HA VAL A 16 13.264 0.335 -50.510 1.00 8.14 H ATOM 214 C VAL A 16 11.971 0.999 -52.110 1.00 8.14 C ATOM 215 O VAL A 16 10.860 0.844 -52.620 1.00 8.14 O ATOM 216 CB VAL A 16 13.016 -1.330 -51.920 1.00 8.14 C ATOM 217 HB VAL A 16 12.223 -1.689 -52.569 1.00 8.14 H ATOM 218 CG1 VAL A 16 14.237 -1.016 -52.781 1.00 8.14 C ATOM 219 1HG1 VAL A 16 14.590 -1.927 -53.265 1.00 8.14 H ATOM 220 2HG1 VAL A 16 15.036 -0.599 -52.166 1.00 8.14 H ATOM 221 3HG1 VAL A 16 13.963 -0.305 -53.557 1.00 8.14 H ATOM 222 CG2 VAL A 16 13.373 -2.453 -50.936 1.00 8.14 C ATOM 223 1HG2 VAL A 16 13.713 -3.331 -51.487 1.00 8.14 H ATOM 224 2HG2 VAL A 16 12.497 -2.733 -50.353 1.00 8.14 H ATOM 225 3HG2 VAL A 16 14.162 -2.123 -50.259 1.00 8.14 H ATOM 226 N ASP A 17 12.709 2.073 -52.345 1.00 15.36 N ATOM 227 H ASP A 17 13.613 2.164 -51.875 1.00 15.36 H ATOM 228 CA ASP A 17 12.261 3.152 -53.238 1.00 15.36 C ATOM 229 HA ASP A 17 11.189 3.300 -53.103 1.00 15.36 H ATOM 230 C ASP A 17 12.505 2.778 -54.714 1.00 15.36 C ATOM 231 O ASP A 17 12.966 3.589 -55.505 1.00 15.36 O ATOM 232 CB ASP A 17 12.981 4.472 -52.911 1.00 15.36 C ATOM 233 1HB ASP A 17 14.057 4.298 -52.864 1.00 15.36 H ATOM 234 2HB ASP A 17 12.773 5.184 -53.705 1.00 15.36 H ATOM 235 CG ASP A 17 12.508 5.127 -51.618 1.00 15.36 C ATOM 236 OD1 ASP A 17 11.517 4.687 -50.992 1.00 15.36 O ATOM 237 OD2 ASP A 17 13.121 6.160 -51.246 1.00 15.36 O ATOM 238 N TRP A 18 12.253 1.525 -55.064 1.00 1.02 N ATOM 239 H TRP A 18 11.774 0.948 -54.374 1.00 1.02 H ATOM 240 CA TRP A 18 12.626 0.868 -56.328 1.00 1.02 C ATOM 241 HA TRP A 18 13.274 0.045 -56.029 1.00 1.02 H ATOM 242 C TRP A 18 13.434 1.579 -57.422 1.00 1.02 C ATOM 243 O TRP A 18 14.630 1.354 -57.500 1.00 1.02 O ATOM 244 CB TRP A 18 11.384 0.211 -56.926 1.00 1.02 C ATOM 245 1HB TRP A 18 10.652 0.975 -57.188 1.00 1.02 H ATOM 246 2HB TRP A 18 11.671 -0.335 -57.825 1.00 1.02 H ATOM 247 CG TRP A 18 10.770 -0.749 -55.948 1.00 1.02 C ATOM 248 CD1 TRP A 18 9.585 -0.614 -55.294 1.00 1.02 C ATOM 249 HD1 TRP A 18 8.919 0.229 -55.415 1.00 1.02 H ATOM 250 CD2 TRP A 18 11.324 -1.995 -55.480 1.00 1.02 C ATOM 251 NE1 TRP A 18 9.351 -1.670 -54.456 1.00 1.02 N ATOM 252 HE1 TRP A 18 8.532 -1.770 -53.876 1.00 1.02 H ATOM 253 CE2 TRP A 18 10.406 -2.536 -54.534 1.00 1.02 C ATOM 254 CE3 TRP A 18 12.518 -2.700 -55.745 1.00 1.02 C ATOM 255 HE3 TRP A 18 13.230 -2.321 -56.463 1.00 1.02 H ATOM 256 CZ2 TRP A 18 10.653 -3.743 -53.848 1.00 1.02 C ATOM 257 HZ2 TRP A 18 9.944 -4.126 -53.129 1.00 1.02 H ATOM 258 CZ3 TRP A 18 12.773 -3.912 -55.052 1.00 1.02 C ATOM 259 HZ3 TRP A 18 13.685 -4.461 -55.246 1.00 1.02 H ATOM 260 CH2 TRP A 18 11.832 -4.418 -54.109 1.00 1.02 C ATOM 261 HH2 TRP A 18 12.041 -5.345 -53.593 1.00 1.02 H ATOM 262 N SER A 19 12.860 2.412 -58.279 1.00 -6.16 N ATOM 263 H SER A 19 11.880 2.639 -58.202 1.00 -6.16 H ATOM 264 CA SER A 19 13.652 3.025 -59.353 1.00 -6.16 C ATOM 265 HA SER A 19 14.160 2.239 -59.913 1.00 -6.16 H ATOM 266 C SER A 19 14.722 3.982 -58.817 1.00 -6.16 C ATOM 267 O SER A 19 15.860 4.013 -59.289 1.00 -6.16 O ATOM 268 CB SER A 19 12.715 3.777 -60.295 1.00 -6.16 C ATOM 269 1HB SER A 19 13.300 4.380 -60.991 1.00 -6.16 H ATOM 270 2HB SER A 19 12.121 3.055 -60.855 1.00 -6.16 H ATOM 271 OG SER A 19 11.838 4.599 -59.540 1.00 -6.16 O ATOM 272 HG SER A 19 11.307 5.120 -60.151 1.00 -6.16 H ATOM 273 N LYS A 20 14.375 4.721 -57.774 1.00 -3.08 N ATOM 274 H LYS A 20 13.434 4.628 -57.405 1.00 -3.08 H ATOM 275 CA LYS A 20 15.316 5.612 -57.096 1.00 -3.08 C ATOM 276 HA LYS A 20 15.848 6.228 -57.823 1.00 -3.08 H ATOM 277 C LYS A 20 16.325 4.743 -56.363 1.00 -3.08 C ATOM 278 O LYS A 20 17.510 5.049 -56.358 1.00 -3.08 O ATOM 279 CB LYS A 20 14.542 6.501 -56.117 1.00 -3.08 C ATOM 280 1HB LYS A 20 13.868 7.145 -56.681 1.00 -3.08 H ATOM 281 2HB LYS A 20 13.935 5.846 -55.503 1.00 -3.08 H ATOM 282 CG LYS A 20 15.371 7.352 -55.165 1.00 -3.08 C ATOM 283 1HG LYS A 20 16.091 6.716 -54.654 1.00 -3.08 H ATOM 284 2HG LYS A 20 15.895 8.140 -55.707 1.00 -3.08 H ATOM 285 CD LYS A 20 14.435 7.945 -54.125 1.00 -3.08 C ATOM 286 1HD LYS A 20 13.780 8.680 -54.593 1.00 -3.08 H ATOM 287 2HD LYS A 20 13.822 7.142 -53.725 1.00 -3.08 H ATOM 288 CE LYS A 20 15.173 8.571 -52.959 1.00 -3.08 C ATOM 289 1HE LYS A 20 15.941 7.880 -52.607 1.00 -3.08 H ATOM 290 2HE LYS A 20 15.635 9.511 -53.268 1.00 -3.08 H ATOM 291 NZ LYS A 20 14.177 8.795 -51.865 1.00 -3.08 N ATOM 292 1HZ LYS A 20 14.627 9.200 -51.057 1.00 -3.08 H ATOM 293 2HZ LYS A 20 13.768 7.899 -51.594 1.00 -3.08 H ATOM 294 3HZ LYS A 20 13.438 9.405 -52.184 1.00 -3.08 H ATOM 295 N ALA A 21 15.883 3.639 -55.784 1.00 6.14 N ATOM 296 H ALA A 21 14.894 3.415 -55.827 1.00 6.14 H ATOM 297 CA ALA A 21 16.796 2.748 -55.079 1.00 6.14 C ATOM 298 HA ALA A 21 17.304 3.325 -54.306 1.00 6.14 H ATOM 299 C ALA A 21 17.863 2.198 -56.022 1.00 6.14 C ATOM 300 O ALA A 21 19.039 2.180 -55.680 1.00 6.14 O ATOM 301 CB ALA A 21 16.020 1.609 -54.429 1.00 6.14 C ATOM 302 1HB ALA A 21 15.312 2.009 -53.705 1.00 6.14 H ATOM 303 2HB ALA A 21 16.715 0.940 -53.921 1.00 6.14 H ATOM 304 3HB ALA A 21 15.487 1.035 -55.182 1.00 6.14 H ATOM 305 N ILE A 22 17.460 1.801 -57.220 1.00-26.39 N ATOM 306 H ILE A 22 16.465 1.821 -57.442 1.00-26.39 H ATOM 307 CA ILE A 22 18.393 1.295 -58.225 1.00-26.39 C ATOM 308 HA ILE A 22 18.976 0.484 -57.788 1.00-26.39 H ATOM 309 C ILE A 22 19.374 2.403 -58.599 1.00-26.39 C ATOM 310 O ILE A 22 20.565 2.140 -58.719 1.00-26.39 O ATOM 311 CB ILE A 22 17.635 0.740 -59.472 1.00-26.39 C ATOM 312 HB ILE A 22 16.943 1.505 -59.823 1.00-26.39 H ATOM 313 CG1 ILE A 22 16.838 -0.521 -59.073 1.00-26.39 C ATOM 314 1HG1 ILE A 22 17.536 -1.350 -58.964 1.00-26.39 H ATOM 315 2HG1 ILE A 22 16.374 -0.362 -58.103 1.00-26.39 H ATOM 316 CG2 ILE A 22 18.607 0.384 -60.629 1.00-26.39 C ATOM 317 1HG2 ILE A 22 18.059 -0.024 -61.478 1.00-26.39 H ATOM 318 2HG2 ILE A 22 19.344 -0.348 -60.292 1.00-26.39 H ATOM 319 3HG2 ILE A 22 19.129 1.279 -60.969 1.00-26.39 H ATOM 320 CD1 ILE A 22 15.728 -0.935 -60.051 1.00-26.39 C ATOM 321 1HD1 ILE A 22 15.194 -1.795 -59.644 1.00-26.39 H ATOM 322 2HD1 ILE A 22 16.154 -1.211 -61.015 1.00-26.39 H ATOM 323 3HD1 ILE A 22 15.025 -0.112 -60.183 1.00-26.39 H ATOM 324 N SER A 23 18.933 3.648 -58.721 1.00-11.27 N ATOM 325 H SER A 23 17.943 3.854 -58.636 1.00-11.27 H ATOM 326 CA SER A 23 19.883 4.721 -59.024 1.00-11.27 C ATOM 327 HA SER A 23 20.452 4.408 -59.899 1.00-11.27 H ATOM 328 C SER A 23 20.892 4.961 -57.896 1.00-11.27 C ATOM 329 O SER A 23 22.044 5.287 -58.159 1.00-11.27 O ATOM 330 CB SER A 23 19.165 6.026 -59.386 1.00-11.27 C ATOM 331 1HB SER A 23 19.897 6.725 -59.792 1.00-11.27 H ATOM 332 2HB SER A 23 18.421 5.817 -60.156 1.00-11.27 H ATOM 333 OG SER A 23 18.527 6.639 -58.277 1.00-11.27 O ATOM 334 HG SER A 23 18.192 5.957 -57.673 1.00-11.27 H ATOM 335 N ILE A 24 20.503 4.759 -56.644 1.00 3.98 N ATOM 336 H ILE A 24 19.542 4.494 -56.453 1.00 3.98 H ATOM 337 CA ILE A 24 21.430 4.931 -55.520 1.00 3.98 C ATOM 338 HA ILE A 24 21.986 5.856 -55.665 1.00 3.98 H ATOM 339 C ILE A 24 22.434 3.775 -55.516 1.00 3.98 C ATOM 340 O ILE A 24 23.633 3.986 -55.328 1.00 3.98 O ATOM 341 CB ILE A 24 20.681 5.017 -54.153 1.00 3.98 C ATOM 342 HB ILE A 24 20.081 4.116 -54.024 1.00 3.98 H ATOM 343 CG1 ILE A 24 19.751 6.248 -54.131 1.00 3.98 C ATOM 344 1HG1 ILE A 24 20.364 7.141 -54.012 1.00 3.98 H ATOM 345 2HG1 ILE A 24 19.239 6.333 -55.084 1.00 3.98 H ATOM 346 CG2 ILE A 24 21.684 5.128 -52.979 1.00 3.98 C ATOM 347 1HG2 ILE A 24 21.162 5.272 -52.037 1.00 3.98 H ATOM 348 2HG2 ILE A 24 22.366 5.965 -53.138 1.00 3.98 H ATOM 349 3HG2 ILE A 24 22.264 4.209 -52.903 1.00 3.98 H ATOM 350 CD1 ILE A 24 18.675 6.240 -53.033 1.00 3.98 C ATOM 351 1HD1 ILE A 24 18.065 7.135 -53.130 1.00 3.98 H ATOM 352 2HD1 ILE A 24 19.137 6.236 -52.046 1.00 3.98 H ATOM 353 3HD1 ILE A 24 18.041 5.360 -53.145 1.00 3.98 H ATOM 354 N ILE A 25 21.971 2.565 -55.789 1.00-10.72 N ATOM 355 H ILE A 25 20.970 2.429 -55.920 1.00-10.72 H ATOM 356 CA ILE A 25 22.857 1.402 -55.892 1.00-10.72 C ATOM 357 HA ILE A 25 23.446 1.314 -54.979 1.00-10.72 H ATOM 358 C ILE A 25 23.822 1.633 -57.060 1.00-10.72 C ATOM 359 O ILE A 25 25.025 1.398 -56.940 1.00-10.72 O ATOM 360 CB ILE A 25 22.033 0.089 -56.085 1.00-10.72 C ATOM 361 HB ILE A 25 21.365 0.224 -56.935 1.00-10.72 H ATOM 362 CG1 ILE A 25 21.188 -0.189 -54.823 1.00-10.72 C ATOM 363 1HG1 ILE A 25 21.850 -0.560 -54.043 1.00-10.72 H ATOM 364 2HG1 ILE A 25 20.757 0.743 -54.464 1.00-10.72 H ATOM 365 CG2 ILE A 25 22.955 -1.128 -56.369 1.00-10.72 C ATOM 366 1HG2 ILE A 25 22.362 -2.035 -56.483 1.00-10.72 H ATOM 367 2HG2 ILE A 25 23.666 -1.263 -55.552 1.00-10.72 H ATOM 368 3HG2 ILE A 25 23.506 -0.971 -57.297 1.00-10.72 H ATOM 369 CD1 ILE A 25 20.035 -1.186 -55.003 1.00-10.72 C ATOM 370 1HD1 ILE A 25 19.474 -1.256 -54.070 1.00-10.72 H ATOM 371 2HD1 ILE A 25 20.421 -2.173 -55.258 1.00-10.72 H ATOM 372 3HD1 ILE A 25 19.367 -0.840 -55.792 1.00-10.72 H ATOM 373 N GLY A 26 23.322 2.166 -58.164 1.00 -2.95 N ATOM 374 H GLY A 26 22.319 2.334 -58.232 1.00 -2.95 H ATOM 375 CA GLY A 26 24.168 2.507 -59.295 1.00 -2.95 C ATOM 376 1HA GLY A 26 24.684 1.609 -59.632 1.00 -2.95 H ATOM 377 2HA GLY A 26 23.544 2.883 -60.105 1.00 -2.95 H ATOM 378 C GLY A 26 25.208 3.556 -58.954 1.00 -2.95 C ATOM 379 O GLY A 26 26.370 3.404 -59.309 1.00 -2.95 O ATOM 380 N ASN A 27 24.838 4.596 -58.222 1.00-12.50 N ATOM 381 H ASN A 27 23.860 4.705 -57.957 1.00-12.50 H ATOM 382 CA ASN A 27 25.809 5.615 -57.821 1.00-12.50 C ATOM 383 HA ASN A 27 26.332 5.967 -58.711 1.00-12.50 H ATOM 384 C ASN A 27 26.856 5.047 -56.868 1.00-12.50 C ATOM 385 O ASN A 27 28.015 5.449 -56.906 1.00-12.50 O ATOM 386 CB ASN A 27 25.110 6.805 -57.156 1.00-12.50 C ATOM 387 1HB ASN A 27 24.430 6.443 -56.387 1.00-12.50 H ATOM 388 2HB ASN A 27 25.866 7.432 -56.686 1.00-12.50 H ATOM 389 CG ASN A 27 24.351 7.657 -58.142 1.00-12.50 C ATOM 390 OD1 ASN A 27 24.783 7.864 -59.262 1.00-12.50 O ATOM 391 ND2 ASN A 27 23.230 8.181 -57.730 1.00-12.50 N ATOM 392 1HD2 ASN A 27 22.715 8.759 -58.371 1.00-12.50 H ATOM 393 2HD2 ASN A 27 22.890 7.987 -56.807 1.00-12.50 H ATOM 394 N ASN A 28 26.483 4.087 -56.033 1.00 -5.27 N ATOM 395 H ASN A 28 25.502 3.815 -55.984 1.00 -5.27 H ATOM 396 CA ASN A 28 27.462 3.422 -55.173 1.00 -5.27 C ATOM 397 HA ASN A 28 28.070 4.176 -54.670 1.00 -5.27 H ATOM 398 C ASN A 28 28.402 2.557 -56.008 1.00 -5.27 C ATOM 399 O ASN A 28 29.594 2.482 -55.727 1.00 -5.27 O ATOM 400 CB ASN A 28 26.775 2.564 -54.108 1.00 -5.27 C ATOM 401 1HB ASN A 28 25.900 2.076 -54.532 1.00 -5.27 H ATOM 402 2HB ASN A 28 27.478 1.799 -53.777 1.00 -5.27 H ATOM 403 CG ASN A 28 26.381 3.363 -52.896 1.00 -5.27 C ATOM 404 OD1 ASN A 28 27.220 3.737 -52.098 1.00 -5.27 O ATOM 405 ND2 ASN A 28 25.120 3.643 -52.747 1.00 -5.27 N ATOM 406 1HD2 ASN A 28 24.840 4.161 -51.936 1.00 -5.27 H ATOM 407 2HD2 ASN A 28 24.446 3.354 -53.443 1.00 -5.27 H ATOM 408 N ALA A 29 27.899 1.932 -57.062 1.00 2.82 N ATOM 409 H ALA A 29 26.898 1.971 -57.245 1.00 2.82 H ATOM 410 CA ALA A 29 28.760 1.171 -57.961 1.00 2.82 C ATOM 411 HA ALA A 29 29.334 0.459 -57.368 1.00 2.82 H ATOM 412 C ALA A 29 29.748 2.112 -58.662 1.00 2.82 C ATOM 413 O ALA A 29 30.925 1.791 -58.774 1.00 2.82 O ATOM 414 CB ALA A 29 27.916 0.391 -58.979 1.00 2.82 C ATOM 415 1HB ALA A 29 27.205 -0.250 -58.455 1.00 2.82 H ATOM 416 2HB ALA A 29 28.571 -0.227 -59.595 1.00 2.82 H ATOM 417 3HB ALA A 29 27.370 1.080 -59.623 1.00 2.82 H ATOM 418 N VAL A 30 29.295 3.284 -59.084 1.00-16.66 N ATOM 419 H VAL A 30 28.301 3.497 -59.001 1.00-16.66 H ATOM 420 CA VAL A 30 30.188 4.282 -59.683 1.00-16.66 C ATOM 421 HA VAL A 30 30.729 3.814 -60.504 1.00-16.66 H ATOM 422 C VAL A 30 31.223 4.738 -58.657 1.00-16.66 C ATOM 423 O VAL A 30 32.402 4.854 -58.987 1.00-16.66 O ATOM 424 CB VAL A 30 29.396 5.501 -60.252 1.00-16.66 C ATOM 425 HB VAL A 30 28.773 5.914 -59.461 1.00-16.66 H ATOM 426 CG1 VAL A 30 30.329 6.613 -60.763 1.00-16.66 C ATOM 427 1HG1 VAL A 30 29.739 7.415 -61.209 1.00-16.66 H ATOM 428 2HG1 VAL A 30 31.020 6.217 -61.510 1.00-16.66 H ATOM 429 3HG1 VAL A 30 30.900 7.034 -59.935 1.00-16.66 H ATOM 430 CG2 VAL A 30 28.490 5.057 -61.413 1.00-16.66 C ATOM 431 1HG2 VAL A 30 27.891 5.902 -61.753 1.00-16.66 H ATOM 432 2HG2 VAL A 30 27.813 4.270 -61.095 1.00-16.66 H ATOM 433 3HG2 VAL A 30 29.093 4.688 -62.244 1.00-16.66 H ATOM 434 N ALA A 31 30.837 4.940 -57.405 1.00 -9.26 N ATOM 435 H ALA A 31 29.853 4.856 -57.157 1.00 -9.26 H ATOM 436 CA ALA A 31 31.801 5.317 -56.373 1.00 -9.26 C ATOM 437 HA ALA A 31 32.311 6.225 -56.695 1.00 -9.26 H ATOM 438 C ALA A 31 32.862 4.224 -56.184 1.00 -9.26 C ATOM 439 O ALA A 31 34.055 4.516 -56.086 1.00 -9.26 O ATOM 440 CB ALA A 31 31.070 5.605 -55.054 1.00 -9.26 C ATOM 441 1HB ALA A 31 30.319 6.382 -55.209 1.00 -9.26 H ATOM 442 2HB ALA A 31 31.789 5.946 -54.307 1.00 -9.26 H ATOM 443 3HB ALA A 31 30.582 4.701 -54.687 1.00 -9.26 H ATOM 444 N ASN A 32 32.440 2.968 -56.179 1.00-13.87 N ATOM 445 H ASN A 32 31.440 2.780 -56.224 1.00-13.87 H ATOM 446 CA ASN A 32 33.376 1.848 -56.068 1.00-13.87 C ATOM 447 HA ASN A 32 33.994 1.997 -55.181 1.00-13.87 H ATOM 448 C ASN A 32 34.310 1.769 -57.275 1.00-13.87 C ATOM 449 O ASN A 32 35.493 1.497 -57.131 1.00-13.87 O ATOM 450 CB ASN A 32 32.628 0.519 -55.921 1.00-13.87 C ATOM 451 1HB ASN A 32 31.893 0.425 -56.717 1.00-13.87 H ATOM 452 2HB ASN A 32 33.349 -0.293 -56.013 1.00-13.87 H ATOM 453 CG ASN A 32 31.942 0.383 -54.585 1.00-13.87 C ATOM 454 OD1 ASN A 32 32.446 0.817 -53.567 1.00-13.87 O ATOM 455 ND2 ASN A 32 30.797 -0.240 -54.574 1.00-13.87 N ATOM 456 1HD2 ASN A 32 30.328 -0.344 -53.691 1.00-13.87 H ATOM 457 2HD2 ASN A 32 30.397 -0.580 -55.427 1.00-13.87 H ATOM 458 N LEU A 33 33.806 2.033 -58.471 1.00-17.41 N ATOM 459 H LEU A 33 32.808 2.217 -58.568 1.00-17.41 H ATOM 460 CA LEU A 33 34.654 2.044 -59.666 1.00-17.41 C ATOM 461 HA LEU A 33 35.224 1.117 -59.714 1.00-17.41 H ATOM 462 C LEU A 33 35.649 3.198 -59.615 1.00-17.41 C ATOM 463 O LEU A 33 36.797 3.063 -60.021 1.00-17.41 O ATOM 464 CB LEU A 33 33.798 2.181 -60.931 1.00-17.41 C ATOM 465 1HB LEU A 33 33.122 3.022 -60.785 1.00-17.41 H ATOM 466 2HB LEU A 33 34.462 2.433 -61.757 1.00-17.41 H ATOM 467 CG LEU A 33 32.964 0.963 -61.361 1.00-17.41 C ATOM 468 HG LEU A 33 32.386 0.611 -60.511 1.00-17.41 H ATOM 469 CD1 LEU A 33 31.988 1.371 -62.464 1.00-17.41 C ATOM 470 1HD1 LEU A 33 31.383 0.512 -62.755 1.00-17.41 H ATOM 471 2HD1 LEU A 33 32.532 1.741 -63.334 1.00-17.41 H ATOM 472 3HD1 LEU A 33 31.323 2.151 -62.093 1.00-17.41 H ATOM 473 CD2 LEU A 33 33.840 -0.191 -61.854 1.00-17.41 C ATOM 474 1HD2 LEU A 33 33.209 -1.022 -62.170 1.00-17.41 H ATOM 475 2HD2 LEU A 33 34.485 -0.538 -61.047 1.00-17.41 H ATOM 476 3HD2 LEU A 33 34.456 0.133 -62.694 1.00-17.41 H ATOM 477 N THR A 34 35.217 4.335 -59.094 1.00 7.57 N ATOM 478 H THR A 34 34.251 4.404 -58.786 1.00 7.57 H ATOM 479 CA THR A 34 36.082 5.507 -58.988 1.00 7.57 C ATOM 480 HA THR A 34 36.534 5.689 -59.963 1.00 7.57 H ATOM 481 C THR A 34 37.202 5.266 -57.977 1.00 7.57 C ATOM 482 O THR A 34 38.357 5.604 -58.234 1.00 7.57 O ATOM 483 CB THR A 34 35.260 6.757 -58.589 1.00 7.57 C ATOM 484 HB THR A 34 34.886 6.643 -57.571 1.00 7.57 H ATOM 485 OG1 THR A 34 34.157 6.899 -59.488 1.00 7.57 O ATOM 486 HG1 THR A 34 33.529 6.176 -59.330 1.00 7.57 H ATOM 487 CG2 THR A 34 36.061 8.039 -58.702 1.00 7.57 C ATOM 488 1HG2 THR A 34 35.426 8.880 -58.426 1.00 7.57 H ATOM 489 2HG2 THR A 34 36.401 8.172 -59.729 1.00 7.57 H ATOM 490 3HG2 THR A 34 36.918 8.008 -58.034 1.00 7.57 H ATOM 491 N THR A 35 36.892 4.651 -56.845 1.00 0.26 N ATOM 492 H THR A 35 35.928 4.381 -56.660 1.00 0.26 H ATOM 493 CA THR A 35 37.904 4.358 -55.825 1.00 0.26 C ATOM 494 HA THR A 35 38.582 5.205 -55.744 1.00 0.26 H ATOM 495 C THR A 35 38.761 3.145 -56.181 1.00 0.26 C ATOM 496 O THR A 35 39.913 3.059 -55.782 1.00 0.26 O ATOM 497 CB THR A 35 37.255 4.138 -54.448 1.00 0.26 C ATOM 498 HB THR A 35 38.004 3.769 -53.747 1.00 0.26 H ATOM 499 OG1 THR A 35 36.184 3.201 -54.570 1.00 0.26 O ATOM 500 HG1 THR A 35 35.385 3.683 -54.814 1.00 0.26 H ATOM 501 CG2 THR A 35 36.650 5.425 -53.905 1.00 0.26 C ATOM 502 1HG2 THR A 35 36.187 5.218 -52.940 1.00 0.26 H ATOM 503 2HG2 THR A 35 35.898 5.818 -54.587 1.00 0.26 H ATOM 504 3HG2 THR A 35 37.440 6.165 -53.763 1.00 0.26 H ATOM 505 N GLY A 36 38.253 2.266 -57.033 1.00 3.91 N ATOM 506 H GLY A 36 37.267 2.305 -57.275 1.00 3.91 H ATOM 507 CA GLY A 36 39.069 1.210 -57.617 1.00 3.91 C ATOM 508 1HA GLY A 36 39.713 0.782 -56.850 1.00 3.91 H ATOM 509 2HA GLY A 36 38.414 0.431 -58.004 1.00 3.91 H ATOM 510 C GLY A 36 39.938 1.727 -58.749 1.00 3.91 C ATOM 511 O GLY A 36 40.754 1.001 -59.316 1.00 3.91 O ATOM 512 N GLY A 37 39.746 2.998 -59.069 1.00 12.86 N ATOM 513 H GLY A 37 39.052 3.523 -58.558 1.00 12.86 H ATOM 514 CA GLY A 37 40.486 3.697 -60.101 1.00 12.86 C ATOM 515 1HA GLY A 37 41.242 3.044 -60.536 1.00 12.86 H ATOM 516 2HA GLY A 37 39.792 4.003 -60.882 1.00 12.86 H ATOM 517 C GLY A 37 41.161 4.929 -59.528 1.00 12.86 C ATOM 518 O GLY A 37 41.894 4.856 -58.549 1.00 12.86 O ATOM 519 N ALA A 38 40.897 6.077 -60.137 1.00 12.24 N ATOM 520 H ALA A 38 40.209 6.081 -60.869 1.00 12.24 H ATOM 521 CA ALA A 38 41.575 7.340 -59.833 1.00 12.24 C ATOM 522 HA ALA A 38 42.638 7.197 -60.042 1.00 12.24 H ATOM 523 C ALA A 38 41.498 7.888 -58.395 1.00 12.24 C ATOM 524 O ALA A 38 42.290 8.754 -58.034 1.00 12.24 O ATOM 525 CB ALA A 38 41.045 8.398 -60.815 1.00 12.24 C ATOM 526 1HB ALA A 38 41.225 8.079 -61.842 1.00 12.24 H ATOM 527 2HB ALA A 38 41.568 9.342 -60.649 1.00 12.24 H ATOM 528 3HB ALA A 38 39.977 8.555 -60.656 1.00 12.24 H ATOM 529 N ALA A 39 40.556 7.416 -57.589 1.00 19.11 N ATOM 530 H ALA A 39 39.933 6.686 -57.927 1.00 19.11 H ATOM 531 CA ALA A 39 40.388 7.880 -56.211 1.00 19.11 C ATOM 532 HA ALA A 39 41.033 8.743 -56.044 1.00 19.11 H ATOM 533 C ALA A 39 40.810 6.795 -55.212 1.00 19.11 C ATOM 534 O ALA A 39 40.174 6.606 -54.176 1.00 19.11 O ATOM 535 CB ALA A 39 38.936 8.323 -55.981 1.00 19.11 C ATOM 536 1HB ALA A 39 38.674 9.101 -56.698 1.00 19.11 H ATOM 537 2HB ALA A 39 38.835 8.721 -54.971 1.00 19.11 H ATOM 538 3HB ALA A 39 38.266 7.473 -56.097 1.00 19.11 H ATOM 539 N GLY A 40 41.871 6.076 -55.541 1.00 18.54 N ATOM 540 H GLY A 40 42.369 6.281 -56.402 1.00 18.54 H ATOM 541 CA GLY A 40 42.389 5.036 -54.664 1.00 18.54 C ATOM 542 1HA GLY A 40 42.514 5.447 -53.663 1.00 18.54 H ATOM 543 2HA GLY A 40 41.694 4.202 -54.619 1.00 18.54 H ATOM 544 C GLY A 40 43.734 4.546 -55.156 1.00 18.54 C ATOM 545 O GLY A 40 44.670 4.362 -54.379 1.00 18.54 O ATOM 546 N TRP A 41 43.894 4.498 -56.469 1.00-15.83 N ATOM 547 H TRP A 41 43.086 4.506 -57.088 1.00-15.83 H ATOM 548 CA TRP A 41 45.221 4.630 -57.058 1.00-15.83 C ATOM 549 HA TRP A 41 45.944 4.021 -56.516 1.00-15.83 H ATOM 550 C TRP A 41 45.525 6.111 -56.888 1.00-15.83 C ATOM 551 O TRP A 41 44.611 6.935 -56.934 1.00-15.83 O ATOM 552 CB TRP A 41 45.222 4.268 -58.545 1.00-15.83 C ATOM 553 1HB TRP A 41 44.475 4.877 -59.053 1.00-15.83 H ATOM 554 2HB TRP A 41 46.198 4.502 -58.968 1.00-15.83 H ATOM 555 CG TRP A 41 44.915 2.821 -58.796 1.00-15.83 C ATOM 556 CD1 TRP A 41 43.687 2.255 -58.901 1.00-15.83 C ATOM 557 HD1 TRP A 41 42.758 2.799 -58.799 1.00-15.83 H ATOM 558 CD2 TRP A 41 45.848 1.738 -58.975 1.00-15.83 C ATOM 559 NE1 TRP A 41 43.764 0.916 -59.143 1.00-15.83 N ATOM 560 HE1 TRP A 41 42.946 0.324 -59.259 1.00-15.83 H ATOM 561 CE2 TRP A 41 45.082 0.555 -59.194 1.00-15.83 C ATOM 562 CE3 TRP A 41 47.255 1.647 -58.990 1.00-15.83 C ATOM 563 HE3 TRP A 41 47.860 2.527 -58.837 1.00-15.83 H ATOM 564 CZ2 TRP A 41 45.681 -0.702 -59.419 1.00-15.83 C ATOM 565 HZ2 TRP A 41 45.075 -1.581 -59.579 1.00-15.83 H ATOM 566 CZ3 TRP A 41 47.864 0.381 -59.214 1.00-15.83 C ATOM 567 HZ3 TRP A 41 48.941 0.299 -59.230 1.00-15.83 H ATOM 568 CH2 TRP A 41 47.063 -0.779 -59.428 1.00-15.83 C ATOM 569 HH2 TRP A 41 47.542 -1.733 -59.601 1.00-15.83 H ATOM 570 N LYS A 42 46.786 6.465 -56.691 1.00-10.08 N ATOM 571 H LYS A 42 47.502 5.761 -56.653 1.00-10.08 H ATOM 572 CA LYS A 42 47.156 7.874 -56.568 1.00-10.08 C ATOM 573 HA LYS A 42 46.467 8.362 -55.878 1.00-10.08 H ATOM 574 C LYS A 42 47.010 8.536 -57.934 1.00-10.08 C ATOM 575 O LYS A 42 47.779 8.233 -58.845 1.00-10.08 O ATOM 576 CB LYS A 42 48.592 7.998 -56.032 1.00-10.08 C ATOM 577 1HB LYS A 42 48.633 7.460 -55.085 1.00-10.08 H ATOM 578 2HB LYS A 42 49.273 7.500 -56.724 1.00-10.08 H ATOM 579 CG LYS A 42 49.103 9.427 -55.782 1.00-10.08 C ATOM 580 1HG LYS A 42 48.254 10.088 -55.619 1.00-10.08 H ATOM 581 2HG LYS A 42 49.712 9.420 -54.878 1.00-10.08 H ATOM 582 CD LYS A 42 49.973 9.955 -56.937 1.00-10.08 C ATOM 583 1HD LYS A 42 50.800 9.261 -57.089 1.00-10.08 H ATOM 584 2HD LYS A 42 49.384 9.992 -57.853 1.00-10.08 H ATOM 585 CE LYS A 42 50.547 11.347 -56.669 1.00-10.08 C ATOM 586 1HE LYS A 42 50.996 11.361 -55.675 1.00-10.08 H ATOM 587 2HE LYS A 42 51.326 11.547 -57.407 1.00-10.08 H ATOM 588 NZ LYS A 42 49.510 12.426 -56.771 1.00-10.08 N ATOM 589 1HZ LYS A 42 49.888 13.327 -56.528 1.00-10.08 H ATOM 590 2HZ LYS A 42 48.710 12.206 -56.186 1.00-10.08 H ATOM 591 3HZ LYS A 42 49.138 12.462 -57.722 1.00-10.08 H ATOM 592 N SER A 43 46.058 9.448 -58.049 1.00 0.92 N ATOM 593 H SER A 43 45.314 9.474 -57.371 1.00 0.92 H ATOM 594 CA SER A 43 46.131 10.521 -59.039 1.00 0.92 C ATOM 595 HA SER A 43 46.627 10.171 -59.943 1.00 0.92 H ATOM 596 C SER A 43 46.971 11.595 -58.375 1.00 0.92 C ATOM 597 O SER A 43 47.793 12.270 -59.024 1.00 0.92 O ATOM 598 OXT SER A 43 46.847 11.689 -57.134 1.00 0.92 O ATOM 599 CB SER A 43 44.748 11.072 -59.367 1.00 0.92 C ATOM 600 1HB SER A 43 44.295 11.475 -58.459 1.00 0.92 H ATOM 601 2HB SER A 43 44.848 11.873 -60.102 1.00 0.92 H ATOM 602 OG SER A 43 43.928 10.041 -59.889 1.00 0.92 O ATOM 603 HG SER A 43 43.560 9.536 -59.144 1.00 0.92 H TER 604 SER A 43 CONECT 134 131 198 CONECT 198 134 195 END
SEQUENCE	KYYGNGLSCNKSGCSVDWSKAISIIGNNAVANLTTGGAAGWKS
HELICITY	30.20	INSTAB. INDEX	14.60	FLEXIBILITY	17.99
a HYD. MOM.	36.23	b HYD. MOM.	12.30	c HYD. MOM	2.94
a MEAN HYD. MOM.	0.84	b MEAN HYD. MOM.	0.29	c MEAN HYD. MOM.	0.07
CHARGE pH5	3.07	CHARGE pH7	2.91	CHARGE pH9	0.88
Δ CHARGE pH5-pH9	2.19	ISOELECTRIC POINT	9.19	BOMAN INDEX	0.80
ΔG	20	CPP	-0,49	MLP	-15,29
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	Lactobacillaceae	GENUS	Lactobacillus	SPECIES	Lactobacillus sakei
DATE	2001
TITLE PAPER	An analysis of bacteriocins produced by lactic acid bacteria isolated from malted barley