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ID	2337	NAME	Aurelin   Blast NCBI-PROT
LENGTH	40	DISULFIDE BRIDGE	3		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\risultati_grimd_abalone\pdb_final\AACSDRAHGHICESFKSFCKDSGRNGVKLRANCKKTCGLC.pdb REMARK YASARA Written on: Fri May 16 10:40:03 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 593 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA SEQRES 1 40 ALA ALA CYS SER ASP ARG ALA HIS GLY HIS ILE CYS GLU SEQRES 2 40 SER PHE LYS SER PHE CYS LYS ASP SER GLY ARG ASN GLY SEQRES 3 40 VAL LYS LEU ARG ALA ASN CYS LYS LYS THR CYS GLY LEU SEQRES 4 40 CYS ATOM 1 N ALA 1 -39.017 -35.420 70.205 1.00 -0.42 N ATOM 2 1H ALA 1 -38.786 -35.508 71.183 1.00 -0.42 H ATOM 3 2H ALA 1 -38.235 -35.008 69.709 1.00 -0.42 H ATOM 4 3H ALA 1 -39.823 -34.820 70.098 1.00 0.27 H ATOM 5 CA ALA 1 -39.319 -36.765 69.627 1.00 0.03 C ATOM 6 HA ALA 1 -38.444 -37.399 69.777 1.00 0.08 H ATOM 7 C ALA 1 -39.557 -36.639 68.124 1.00 0.60 C ATOM 8 O ALA 1 -39.377 -35.560 67.577 1.00 -0.57 O ATOM 9 CB ALA 1 -40.532 -37.423 70.344 1.00 -0.18 C ATOM 10 1HB ALA 1 -41.446 -36.866 70.133 1.00 0.06 H ATOM 11 2HB ALA 1 -40.655 -38.454 70.009 1.00 0.06 H ATOM 12 3HB ALA 1 -40.365 -37.432 71.423 1.00 0.06 H ATOM 13 N ALA 2 -39.943 -37.715 67.445 1.00 -0.42 N ATOM 14 H ALA 2 -40.158 -38.572 67.933 1.00 0.27 H ATOM 15 CA ALA 2 -39.997 -37.730 65.979 1.00 0.03 C ATOM 16 HA ALA 2 -38.970 -37.695 65.626 1.00 0.08 H ATOM 17 C ALA 2 -40.714 -36.538 65.324 1.00 0.60 C ATOM 18 O ALA 2 -40.088 -35.749 64.621 1.00 -0.57 O ATOM 19 CB ALA 2 -40.601 -39.062 65.503 1.00 -0.18 C ATOM 20 1HB ALA 2 -41.619 -39.181 65.877 1.00 0.06 H ATOM 21 2HB ALA 2 -40.621 -39.084 64.411 1.00 0.06 H ATOM 22 3HB ALA 2 -39.991 -39.896 65.853 1.00 0.06 H ATOM 23 N CYS 3 -42.000 -36.369 65.592 1.00 -0.42 N ATOM 24 H CYS 3 -42.490 -37.024 66.179 1.00 0.27 H ATOM 25 CA CYS 3 -42.755 -35.255 65.021 1.00 0.02 C ATOM 26 HA CYS 3 -42.516 -35.154 63.961 1.00 0.11 H ATOM 27 C CYS 3 -42.456 -33.915 65.697 1.00 0.60 C ATOM 28 O CYS 3 -42.688 -32.853 65.123 1.00 -0.57 O ATOM 29 CB CYS 3 -44.242 -35.574 65.173 1.00 -0.12 C ATOM 30 1HB CYS 3 -44.829 -34.716 64.837 1.00 0.11 H ATOM 31 2HB CYS 3 -44.486 -36.429 64.540 1.00 0.11 H ATOM 32 SG CYS 3 -44.675 -35.985 66.887 1.00 -0.31 S ATOM 33 HG CYS 3 -45.994 -36.123 66.684 1.00 0.19 H ATOM 34 N SER 4 -41.965 -33.960 66.927 1.00 -0.42 N ATOM 35 H SER 4 -41.776 -34.846 67.361 1.00 0.27 H ATOM 36 CA SER 4 -41.748 -32.749 67.711 1.00 -0.03 C ATOM 37 HA SER 4 -42.624 -32.106 67.615 1.00 0.08 H ATOM 38 C SER 4 -40.522 -31.966 67.273 1.00 0.60 C ATOM 39 O SER 4 -40.559 -30.747 67.216 1.00 -0.57 O ATOM 40 CB SER 4 -41.574 -33.138 69.174 1.00 0.21 C ATOM 41 1HB SER 4 -40.521 -33.056 69.445 1.00 0.04 H ATOM 42 2HB SER 4 -42.158 -32.467 69.807 1.00 0.04 H ATOM 43 OG SER 4 -42.002 -34.482 69.352 1.00 -0.65 O ATOM 44 HG SER 4 -42.969 -34.475 69.400 1.00 0.43 H ATOM 45 N ASP 5 -39.441 -32.666 66.955 1.00 -0.52 N ATOM 46 H ASP 5 -39.462 -33.679 67.028 1.00 0.29 H ATOM 47 CA ASP 5 -38.191 -32.004 66.564 1.00 0.04 C ATOM 48 HA ASP 5 -38.443 -31.023 66.166 1.00 0.09 H ATOM 49 C ASP 5 -37.380 -32.721 65.487 1.00 0.54 C ATOM 50 O ASP 5 -36.835 -32.069 64.602 1.00 -0.58 O ATOM 51 CB ASP 5 -37.290 -31.767 67.786 1.00 -0.03 C ATOM 52 1HB ASP 5 -36.549 -31.016 67.513 1.00 -0.01 H ATOM 53 2HB ASP 5 -37.887 -31.381 68.612 1.00 -0.01 H ATOM 54 CG ASP 5 -36.549 -33.016 68.229 1.00 0.80 C ATOM 55 OD1 ASP 5 -37.186 -34.043 68.549 1.00 -0.55 O ATOM 56 OD2 ASP 5 -35.308 -33.014 68.188 1.00 -0.55 O ATOM 57 N ARG 6 -37.317 -34.047 65.492 1.00 -0.35 N ATOM 58 H ARG 6 -37.820 -34.571 66.205 1.00 0.28 H ATOM 59 CA ARG 6 -36.449 -34.750 64.537 1.00 -0.26 C ATOM 60 HA ARG 6 -35.447 -34.327 64.617 1.00 0.16 H ATOM 61 C ARG 6 -36.887 -34.555 63.092 1.00 0.73 C ATOM 62 O ARG 6 -36.051 -34.378 62.212 1.00 -0.59 O ATOM 63 CB ARG 6 -36.383 -36.247 64.854 1.00 -0.00 C ATOM 64 1HB ARG 6 -37.395 -36.638 64.815 1.00 0.03 H ATOM 65 2HB ARG 6 -35.810 -36.741 64.069 1.00 0.03 H ATOM 66 CG ARG 6 -35.768 -36.631 66.210 1.00 0.04 C ATOM 67 1HG ARG 6 -36.267 -36.090 67.013 1.00 0.03 H ATOM 68 2HG ARG 6 -35.944 -37.696 66.361 1.00 0.03 H ATOM 69 CD ARG 6 -34.254 -36.393 66.292 1.00 0.05 C ATOM 70 1HD ARG 6 -33.817 -37.194 66.890 1.00 0.07 H ATOM 71 2HD ARG 6 -33.830 -36.442 65.288 1.00 0.07 H ATOM 72 NE ARG 6 -33.896 -35.110 66.913 1.00 -0.53 N ATOM 73 HE ARG 6 -34.658 -34.536 67.296 1.00 0.35 H ATOM 74 CZ ARG 6 -32.679 -34.607 67.062 1.00 0.81 C ATOM 75 NH1 ARG 6 -32.566 -33.453 67.647 1.00 -0.86 N ATOM 76 1HH1 ARG 6 -33.421 -32.992 67.978 1.00 0.32 H ATOM 77 2HH1 ARG 6 -31.673 -33.021 67.788 1.00 0.32 H ATOM 78 NH2 ARG 6 -31.585 -35.202 66.657 1.00 -0.86 N ATOM 79 1HH2 ARG 6 -31.641 -36.102 66.216 1.00 0.32 H ATOM 80 2HH2 ARG 6 -30.692 -34.763 66.802 1.00 0.32 H ATOM 81 N ALA 7 -38.187 -34.535 62.841 1.00 -0.42 N ATOM 82 H ALA 7 -38.848 -34.740 63.590 1.00 0.27 H ATOM 83 CA ALA 7 -38.698 -34.257 61.501 1.00 0.03 C ATOM 84 HA ALA 7 -38.257 -34.966 60.799 1.00 0.08 H ATOM 85 C ALA 7 -38.307 -32.843 61.059 1.00 0.60 C ATOM 86 O ALA 7 -37.941 -32.612 59.908 1.00 -0.57 O ATOM 87 CB ALA 7 -40.225 -34.425 61.485 1.00 -0.18 C ATOM 88 1HB ALA 7 -40.603 -34.221 60.481 1.00 0.06 H ATOM 89 2HB ALA 7 -40.486 -35.450 61.757 1.00 0.06 H ATOM 90 3HB ALA 7 -40.692 -33.736 62.191 1.00 0.06 H ATOM 91 N HIS 8 -38.360 -31.896 61.984 1.00 -0.35 N ATOM 92 H HIS 8 -38.621 -32.133 62.928 1.00 0.28 H ATOM 93 CA HIS 8 -38.031 -30.509 61.663 1.00 -0.14 C ATOM 94 HA HIS 8 -38.572 -30.237 60.761 1.00 0.12 H ATOM 95 C HIS 8 -36.540 -30.373 61.379 1.00 0.73 C ATOM 96 O HIS 8 -36.148 -29.663 60.462 1.00 -0.59 O ATOM 97 CB HIS 8 -38.475 -29.579 62.793 1.00 -0.04 C ATOM 98 1HB HIS 8 -37.895 -29.806 63.688 1.00 0.08 H ATOM 99 2HB HIS 8 -38.265 -28.547 62.507 1.00 0.08 H ATOM 100 CG HIS 8 -39.928 -29.723 63.126 1.00 -0.00 C ATOM 101 ND1 HIS 8 -40.962 -29.270 62.311 1.00 -0.15 N ATOM 102 HD1 HIS 8 -40.843 -28.748 61.450 1.00 0.14 H ATOM 103 CD2 HIS 8 -40.548 -30.309 64.178 1.00 -0.11 C ATOM 104 HD2 HIS 8 -40.060 -30.744 65.039 1.00 0.23 H ATOM 105 CE1 HIS 8 -42.123 -29.623 62.849 1.00 -0.02 C ATOM 106 HE1 HIS 8 -43.104 -29.419 62.430 1.00 0.27 H ATOM 107 NE2 HIS 8 -41.894 -30.268 63.968 1.00 -0.17 N ATOM 108 HE2 HIS 8 -42.591 -30.705 64.578 1.00 0.14 H ATOM 109 N GLY 9 -35.713 -31.119 62.097 1.00 -0.42 N ATOM 110 H GLY 9 -36.066 -31.666 62.880 1.00 0.27 H ATOM 111 CA GLY 9 -34.292 -31.141 61.793 1.00 -0.03 C ATOM 112 1HA GLY 9 -33.917 -30.118 61.809 1.00 0.07 H ATOM 113 2HA GLY 9 -33.762 -31.725 62.545 1.00 0.07 H ATOM 114 C GLY 9 -34.020 -31.724 60.420 1.00 0.60 C ATOM 115 O GLY 9 -33.183 -31.204 59.690 1.00 -0.57 O ATOM 116 N HIS 10 -34.752 -32.756 60.020 1.00 -0.35 N ATOM 117 H HIS 10 -35.422 -33.182 60.654 1.00 0.28 H ATOM 118 CA HIS 10 -34.582 -33.296 58.670 1.00 -0.14 C ATOM 119 HA HIS 10 -33.518 -33.469 58.511 1.00 0.12 H ATOM 120 C HIS 10 -35.019 -32.342 57.566 1.00 0.73 C ATOM 121 O HIS 10 -34.332 -32.257 56.562 1.00 -0.59 O ATOM 122 CB HIS 10 -35.302 -34.633 58.486 1.00 -0.04 C ATOM 123 1HB HIS 10 -36.345 -34.532 58.783 1.00 0.08 H ATOM 124 2HB HIS 10 -35.267 -34.881 57.424 1.00 0.08 H ATOM 125 CG HIS 10 -34.664 -35.763 59.233 1.00 -0.00 C ATOM 126 ND1 HIS 10 -33.359 -36.182 59.005 1.00 -0.15 N ATOM 127 HD1 HIS 10 -32.684 -35.736 58.345 1.00 0.14 H ATOM 128 CD2 HIS 10 -35.129 -36.591 60.201 1.00 -0.11 C ATOM 129 HD2 HIS 10 -36.117 -36.546 60.640 1.00 0.23 H ATOM 130 CE1 HIS 10 -33.090 -37.222 59.775 1.00 -0.02 C ATOM 131 HE1 HIS 10 -32.146 -37.758 59.790 1.00 0.27 H ATOM 132 NE2 HIS 10 -34.146 -37.491 60.508 1.00 -0.17 N ATOM 133 HE2 HIS 10 -34.220 -38.245 61.180 1.00 0.14 H ATOM 134 N ILE 11 -36.102 -31.591 57.706 1.00 -0.42 N ATOM 135 H ILE 11 -36.704 -31.687 58.517 1.00 0.27 H ATOM 136 CA ILE 11 -36.439 -30.638 56.638 1.00 -0.06 C ATOM 137 HA ILE 11 -36.333 -31.170 55.691 1.00 0.09 H ATOM 138 C ILE 11 -35.431 -29.485 56.592 1.00 0.60 C ATOM 139 O ILE 11 -35.192 -28.908 55.533 1.00 -0.57 O ATOM 140 CB ILE 11 -37.910 -30.128 56.681 1.00 0.13 C ATOM 141 HB ILE 11 -38.071 -29.515 55.792 1.00 0.02 H ATOM 142 CG1 ILE 11 -38.182 -29.250 57.915 1.00 -0.04 C ATOM 143 1HG1 ILE 11 -38.123 -29.883 58.792 1.00 0.02 H ATOM 144 2HG1 ILE 11 -37.404 -28.492 57.988 1.00 0.02 H ATOM 145 CG2 ILE 11 -38.880 -31.335 56.610 1.00 -0.32 C ATOM 146 1HG2 ILE 11 -38.843 -31.919 57.529 1.00 0.09 H ATOM 147 2HG2 ILE 11 -39.900 -30.985 56.449 1.00 0.09 H ATOM 148 3HG2 ILE 11 -38.610 -31.977 55.769 1.00 0.09 H ATOM 149 CD1 ILE 11 -39.533 -28.528 57.935 1.00 -0.07 C ATOM 150 1HD1 ILE 11 -40.348 -29.249 57.999 1.00 0.02 H ATOM 151 2HD1 ILE 11 -39.573 -27.865 58.798 1.00 0.02 H ATOM 152 3HD1 ILE 11 -39.646 -27.932 57.027 1.00 0.02 H ATOM 153 N CYS 12 -34.750 -29.207 57.697 1.00 -0.42 N ATOM 154 H CYS 12 -34.968 -29.686 58.563 1.00 0.27 H ATOM 155 CA CYS 12 -33.671 -28.220 57.693 1.00 0.02 C ATOM 156 HA CYS 12 -34.022 -27.332 57.168 1.00 0.11 H ATOM 157 C CYS 12 -32.425 -28.723 56.964 1.00 0.60 C ATOM 158 O CYS 12 -31.522 -27.944 56.655 1.00 -0.57 O ATOM 159 CB CYS 12 -33.298 -27.809 59.119 1.00 -0.12 C ATOM 160 1HB CYS 12 -33.006 -28.694 59.684 1.00 0.11 H ATOM 161 2HB CYS 12 -32.441 -27.138 59.066 1.00 0.11 H ATOM 162 SG CYS 12 -34.635 -26.954 59.984 1.00 -0.31 S ATOM 163 HG CYS 12 -35.456 -28.011 60.078 1.00 0.19 H ATOM 164 N GLU 13 -32.370 -30.000 56.613 1.00 -0.52 N ATOM 165 H GLU 13 -33.105 -30.648 56.886 1.00 0.29 H ATOM 166 CA GLU 13 -31.275 -30.495 55.785 1.00 0.04 C ATOM 167 HA GLU 13 -30.344 -30.115 56.186 1.00 0.11 H ATOM 168 C GLU 13 -31.390 -29.994 54.356 1.00 0.54 C ATOM 169 O GLU 13 -30.413 -30.053 53.616 1.00 -0.58 O ATOM 170 CB GLU 13 -31.187 -32.017 55.752 1.00 0.06 C ATOM 171 1HB GLU 13 -32.125 -32.424 55.383 1.00 -0.02 H ATOM 172 2HB GLU 13 -30.407 -32.279 55.043 1.00 -0.02 H ATOM 173 CG GLU 13 -30.844 -32.660 57.079 1.00 0.01 C ATOM 174 1HG GLU 13 -29.922 -32.219 57.460 1.00 -0.04 H ATOM 175 2HG GLU 13 -31.645 -32.471 57.792 1.00 -0.04 H ATOM 176 CD GLU 13 -30.651 -34.154 56.919 1.00 0.81 C ATOM 177 OE1 GLU 13 -29.775 -34.551 56.115 1.00 -0.57 O ATOM 178 OE2 GLU 13 -31.382 -34.940 57.562 1.00 -0.57 O ATOM 179 N SER 14 -32.526 -29.427 53.975 1.00 -0.42 N ATOM 180 H SER 14 -33.329 -29.415 54.598 1.00 0.27 H ATOM 181 CA SER 14 -32.647 -28.795 52.661 1.00 -0.03 C ATOM 182 HA SER 14 -32.461 -29.543 51.890 1.00 0.08 H ATOM 183 C SER 14 -31.619 -27.675 52.529 1.00 0.60 C ATOM 184 O SER 14 -30.958 -27.523 51.508 1.00 -0.57 O ATOM 185 CB SER 14 -34.049 -28.214 52.475 1.00 0.21 C ATOM 186 1HB SER 14 -34.188 -27.380 53.165 1.00 0.04 H ATOM 187 2HB SER 14 -34.157 -27.853 51.452 1.00 0.04 H ATOM 188 OG SER 14 -35.029 -29.200 52.747 1.00 -0.65 O ATOM 189 HG SER 14 -35.289 -29.122 53.680 1.00 0.43 H ATOM 190 N PHE 15 -31.408 -26.939 53.612 1.00 -0.42 N ATOM 191 H PHE 15 -31.925 -27.130 54.462 1.00 0.27 H ATOM 192 CA PHE 15 -30.456 -25.828 53.616 1.00 -0.00 C ATOM 193 HA PHE 15 -30.606 -25.231 52.716 1.00 0.10 H ATOM 194 C PHE 15 -29.011 -26.313 53.643 1.00 0.60 C ATOM 195 O PHE 15 -28.077 -25.561 53.416 1.00 -0.57 O ATOM 196 CB PHE 15 -30.714 -24.950 54.841 1.00 -0.03 C ATOM 197 1HB PHE 15 -30.428 -25.505 55.734 1.00 0.03 H ATOM 198 2HB PHE 15 -30.088 -24.059 54.775 1.00 0.03 H ATOM 199 CG PHE 15 -32.153 -24.535 54.985 1.00 0.01 C ATOM 200 CD1 PHE 15 -32.900 -24.948 56.103 1.00 -0.13 C ATOM 201 HD1 PHE 15 -32.425 -25.525 56.883 1.00 0.13 H ATOM 202 CD2 PHE 15 -32.777 -23.750 53.998 1.00 -0.13 C ATOM 203 HD2 PHE 15 -32.212 -23.407 53.142 1.00 0.13 H ATOM 204 CE1 PHE 15 -34.271 -24.617 56.225 1.00 -0.17 C ATOM 205 HE1 PHE 15 -34.834 -24.942 57.089 1.00 0.14 H ATOM 206 CE2 PHE 15 -34.148 -23.408 54.104 1.00 -0.17 C ATOM 207 HE2 PHE 15 -34.620 -22.812 53.337 1.00 0.14 H ATOM 208 CZ PHE 15 -34.898 -23.849 55.219 1.00 -0.11 C ATOM 209 HZ PHE 15 -35.944 -23.591 55.306 1.00 0.13 H ATOM 210 N LYS 16 -28.833 -27.592 53.941 1.00 -0.35 N ATOM 211 H LYS 16 -29.651 -28.173 54.090 1.00 0.28 H ATOM 212 CA LYS 16 -27.514 -28.211 54.081 1.00 -0.24 C ATOM 213 HA LYS 16 -26.750 -27.438 54.197 1.00 0.14 H ATOM 214 C LYS 16 -27.199 -29.040 52.845 1.00 0.73 C ATOM 215 O LYS 16 -26.111 -29.598 52.717 1.00 -0.59 O ATOM 216 CB LYS 16 -27.520 -29.118 55.317 1.00 -0.01 C ATOM 217 1HB LYS 16 -28.233 -29.921 55.141 1.00 0.04 H ATOM 218 2HB LYS 16 -26.531 -29.559 55.445 1.00 0.04 H ATOM 219 CG LYS 16 -27.919 -28.396 56.604 1.00 0.02 C ATOM 220 1HG LYS 16 -27.170 -27.640 56.838 1.00 0.01 H ATOM 221 2HG LYS 16 -28.880 -27.906 56.463 1.00 0.01 H ATOM 222 CD LYS 16 -28.064 -29.367 57.768 1.00 -0.05 C ATOM 223 1HD LYS 16 -28.727 -30.178 57.480 1.00 0.06 H ATOM 224 2HD LYS 16 -27.094 -29.796 58.004 1.00 0.06 H ATOM 225 CE LYS 16 -28.648 -28.682 59.003 1.00 -0.01 C ATOM 226 1HE LYS 16 -29.645 -28.303 58.765 1.00 0.11 H ATOM 227 2HE LYS 16 -28.739 -29.421 59.801 1.00 0.11 H ATOM 228 NZ LYS 16 -27.788 -27.553 59.480 1.00 -0.38 N ATOM 229 1HZ LYS 16 -28.070 -27.264 60.409 1.00 0.17 H ATOM 230 2HZ LYS 16 -26.822 -27.867 59.530 1.00 0.17 H ATOM 231 3HZ LYS 16 -27.848 -26.770 58.846 1.00 0.17 H ATOM 232 N SER 17 -28.151 -29.138 51.928 1.00 -0.42 N ATOM 233 H SER 17 -29.015 -28.619 52.036 1.00 0.27 H ATOM 234 CA SER 17 -28.022 -30.035 50.780 1.00 -0.03 C ATOM 235 HA SER 17 -27.750 -31.020 51.144 1.00 0.08 H ATOM 236 C SER 17 -26.930 -29.600 49.814 1.00 0.60 C ATOM 237 O SER 17 -26.369 -30.422 49.092 1.00 -0.57 O ATOM 238 CB SER 17 -29.360 -30.175 50.057 1.00 0.21 C ATOM 239 1HB SER 17 -29.706 -29.193 49.735 1.00 0.04 H ATOM 240 2HB SER 17 -29.232 -30.816 49.184 1.00 0.04 H ATOM 241 OG SER 17 -30.316 -30.764 50.926 1.00 -0.65 O ATOM 242 HG SER 17 -30.276 -30.338 51.795 1.00 0.43 H ATOM 243 N PHE 18 -26.531 -28.338 49.865 1.00 -0.42 N ATOM 244 H PHE 18 -26.989 -27.680 50.474 1.00 0.27 H ATOM 245 CA PHE 18 -25.413 -27.896 49.040 1.00 -0.00 C ATOM 246 HA PHE 18 -25.646 -28.163 48.010 1.00 0.10 H ATOM 247 C PHE 18 -24.105 -28.605 49.409 1.00 0.60 C ATOM 248 O PHE 18 -23.239 -28.762 48.553 1.00 -0.57 O ATOM 249 CB PHE 18 -25.238 -26.375 49.096 1.00 -0.03 C ATOM 250 1HB PHE 18 -24.574 -26.077 48.285 1.00 0.03 H ATOM 251 2HB PHE 18 -26.206 -25.903 48.934 1.00 0.03 H ATOM 252 CG PHE 18 -24.654 -25.869 50.389 1.00 0.01 C ATOM 253 CD1 PHE 18 -25.489 -25.523 51.465 1.00 -0.13 C ATOM 254 HD1 PHE 18 -26.560 -25.625 51.373 1.00 0.13 H ATOM 255 CD2 PHE 18 -23.261 -25.710 50.526 1.00 -0.13 C ATOM 256 HD2 PHE 18 -22.607 -25.967 49.704 1.00 0.13 H ATOM 257 CE1 PHE 18 -24.945 -25.022 52.673 1.00 -0.17 C ATOM 258 HE1 PHE 18 -25.597 -24.757 53.494 1.00 0.14 H ATOM 259 CE2 PHE 18 -22.703 -25.205 51.725 1.00 -0.17 C ATOM 260 HE2 PHE 18 -21.635 -25.079 51.817 1.00 0.14 H ATOM 261 CZ PHE 18 -23.552 -24.853 52.798 1.00 -0.11 C ATOM 262 HZ PHE 18 -23.140 -24.446 53.710 1.00 0.13 H ATOM 263 N CYS 19 -23.951 -29.080 50.642 1.00 -0.42 N ATOM 264 H CYS 19 -24.671 -28.943 51.341 1.00 0.27 H ATOM 265 CA CYS 19 -22.739 -29.819 50.986 1.00 0.02 C ATOM 266 HA CYS 19 -21.929 -29.434 50.372 1.00 0.11 H ATOM 267 C CYS 19 -22.872 -31.304 50.659 1.00 0.60 C ATOM 268 O CYS 19 -21.966 -31.890 50.069 1.00 -0.57 O ATOM 269 CB CYS 19 -22.332 -29.604 52.454 1.00 -0.12 C ATOM 270 1HB CYS 19 -21.302 -29.946 52.560 1.00 0.11 H ATOM 271 2HB CYS 19 -22.341 -28.531 52.652 1.00 0.11 H ATOM 272 SG CYS 19 -23.304 -30.433 53.750 1.00 -0.31 S ATOM 273 HG CYS 19 -24.447 -29.759 53.543 1.00 0.19 H ATOM 274 N LYS 20 -23.987 -31.912 51.049 1.00 -0.35 N ATOM 275 H LYS 20 -24.704 -31.369 51.509 1.00 0.28 H ATOM 276 CA LYS 20 -24.157 -33.363 50.923 1.00 -0.24 C ATOM 277 HA LYS 20 -23.191 -33.828 51.098 1.00 0.14 H ATOM 278 C LYS 20 -24.599 -33.864 49.557 1.00 0.73 C ATOM 279 O LYS 20 -24.232 -34.969 49.179 1.00 -0.59 O ATOM 280 CB LYS 20 -25.112 -33.907 51.998 1.00 -0.01 C ATOM 281 1HB LYS 20 -25.230 -34.976 51.818 1.00 0.04 H ATOM 282 2HB LYS 20 -24.652 -33.780 52.978 1.00 0.04 H ATOM 283 CG LYS 20 -26.497 -33.267 52.038 1.00 0.02 C ATOM 284 1HG LYS 20 -26.423 -32.273 52.475 1.00 0.01 H ATOM 285 2HG LYS 20 -26.872 -33.177 51.024 1.00 0.01 H ATOM 286 CD LYS 20 -27.494 -34.101 52.827 1.00 -0.05 C ATOM 287 1HD LYS 20 -27.511 -35.105 52.402 1.00 0.06 H ATOM 288 2HD LYS 20 -27.190 -34.158 53.873 1.00 0.06 H ATOM 289 CE LYS 20 -28.896 -33.507 52.728 1.00 -0.01 C ATOM 290 1HE LYS 20 -28.934 -32.560 53.267 1.00 0.11 H ATOM 291 2HE LYS 20 -29.126 -33.315 51.678 1.00 0.11 H ATOM 292 NZ LYS 20 -29.922 -34.452 53.273 1.00 -0.38 N ATOM 293 1HZ LYS 20 -30.845 -34.066 53.146 1.00 0.17 H ATOM 294 2HZ LYS 20 -29.865 -35.335 52.787 1.00 0.17 H ATOM 295 3HZ LYS 20 -29.763 -34.606 54.271 1.00 0.17 H ATOM 296 N ASP 21 -25.381 -33.081 48.832 1.00 -0.52 N ATOM 297 H ASP 21 -25.639 -32.161 49.172 1.00 0.29 H ATOM 298 CA ASP 21 -25.971 -33.541 47.576 1.00 0.04 C ATOM 299 HA ASP 21 -25.763 -34.599 47.455 1.00 0.09 H ATOM 300 C ASP 21 -25.393 -32.828 46.369 1.00 0.54 C ATOM 301 O ASP 21 -25.056 -33.469 45.378 1.00 -0.58 O ATOM 302 CB ASP 21 -27.492 -33.359 47.593 1.00 -0.03 C ATOM 303 1HB ASP 21 -27.727 -32.356 47.946 1.00 -0.01 H ATOM 304 2HB ASP 21 -27.871 -33.466 46.577 1.00 -0.01 H ATOM 305 CG ASP 21 -28.187 -34.377 48.472 1.00 0.80 C ATOM 306 OD1 ASP 21 -28.122 -35.588 48.158 1.00 -0.55 O ATOM 307 OD2 ASP 21 -28.791 -33.980 49.486 1.00 -0.55 O ATOM 308 N SER 22 -25.246 -31.513 46.442 1.00 -0.42 N ATOM 309 H SER 22 -25.573 -31.005 47.259 1.00 0.27 H ATOM 310 CA SER 22 -24.647 -30.781 45.327 1.00 -0.03 C ATOM 311 HA SER 22 -25.030 -31.189 44.391 1.00 0.08 H ATOM 312 C SER 22 -23.132 -30.949 45.357 1.00 0.60 C ATOM 313 O SER 22 -22.497 -31.299 44.371 1.00 -0.57 O ATOM 314 CB SER 22 -25.006 -29.300 45.415 1.00 0.21 C ATOM 315 1HB SER 22 -24.441 -28.838 46.222 1.00 0.04 H ATOM 316 2HB SER 22 -24.754 -28.805 44.476 1.00 0.04 H ATOM 317 OG SER 22 -26.390 -29.158 45.691 1.00 -0.65 O ATOM 318 HG SER 22 -26.889 -29.590 44.992 1.00 0.43 H ATOM 319 N GLY 23 -22.552 -30.758 46.531 1.00 -0.42 N ATOM 320 H GLY 23 -23.106 -30.448 47.323 1.00 0.27 H ATOM 321 CA GLY 23 -21.121 -30.912 46.720 1.00 -0.03 C ATOM 322 1HA GLY 23 -20.604 -30.656 45.794 1.00 0.07 H ATOM 323 2HA GLY 23 -20.806 -30.220 47.494 1.00 0.07 H ATOM 324 C GLY 23 -20.723 -32.312 47.134 1.00 0.60 C ATOM 325 O GLY 23 -19.732 -32.500 47.852 1.00 -0.57 O ATOM 326 N ARG 24 -21.483 -33.299 46.677 1.00 -0.35 N ATOM 327 H ARG 24 -22.196 -33.069 45.988 1.00 0.28 H ATOM 328 CA ARG 24 -21.384 -34.691 47.134 1.00 -0.26 C ATOM 329 HA ARG 24 -21.702 -34.733 48.177 1.00 0.16 H ATOM 330 C ARG 24 -19.988 -35.286 47.054 1.00 0.73 C ATOM 331 O ARG 24 -19.573 -36.056 47.920 1.00 -0.59 O ATOM 332 CB ARG 24 -22.342 -35.531 46.285 1.00 -0.00 C ATOM 333 1HB ARG 24 -23.287 -34.999 46.247 1.00 0.03 H ATOM 334 2HB ARG 24 -21.946 -35.599 45.271 1.00 0.03 H ATOM 335 CG ARG 24 -22.618 -36.940 46.804 1.00 0.04 C ATOM 336 1HG ARG 24 -21.679 -37.475 46.939 1.00 0.03 H ATOM 337 2HG ARG 24 -23.117 -36.865 47.769 1.00 0.03 H ATOM 338 CD ARG 24 -23.503 -37.739 45.843 1.00 0.05 C ATOM 339 1HD ARG 24 -22.929 -37.938 44.936 1.00 0.07 H ATOM 340 2HD ARG 24 -23.756 -38.695 46.303 1.00 0.07 H ATOM 341 NE ARG 24 -24.735 -37.032 45.459 1.00 -0.53 N ATOM 342 HE ARG 24 -24.726 -36.568 44.563 1.00 0.35 H ATOM 343 CZ ARG 24 -25.847 -36.917 46.174 1.00 0.81 C ATOM 344 NH1 ARG 24 -26.860 -36.291 45.652 1.00 -0.86 N ATOM 345 1HH1 ARG 24 -26.813 -35.914 44.724 1.00 0.32 H ATOM 346 2HH1 ARG 24 -27.680 -36.139 46.235 1.00 0.32 H ATOM 347 NH2 ARG 24 -25.989 -37.353 47.396 1.00 -0.86 N ATOM 348 1HH2 ARG 24 -25.259 -37.869 47.842 1.00 0.32 H ATOM 349 2HH2 ARG 24 -26.833 -37.091 47.909 1.00 0.32 H ATOM 350 N ASN 25 -19.237 -34.909 46.035 1.00 -0.42 N ATOM 351 H ASN 25 -19.621 -34.281 45.339 1.00 0.27 H ATOM 352 CA ASN 25 -17.890 -35.441 45.844 1.00 0.01 C ATOM 353 HA ASN 25 -17.953 -36.530 45.845 1.00 0.10 H ATOM 354 C ASN 25 -16.926 -35.036 46.962 1.00 0.60 C ATOM 355 O ASN 25 -16.007 -35.784 47.273 1.00 -0.57 O ATOM 356 CB ASN 25 -17.313 -34.989 44.495 1.00 -0.20 C ATOM 357 1HB ASN 25 -17.353 -33.902 44.427 1.00 0.08 H ATOM 358 2HB ASN 25 -16.271 -35.300 44.443 1.00 0.08 H ATOM 359 CG ASN 25 -18.046 -35.580 43.313 1.00 0.71 C ATOM 360 OD1 ASN 25 -19.258 -35.493 43.214 1.00 -0.59 O ATOM 361 ND2 ASN 25 -17.323 -36.186 42.414 1.00 -0.92 N ATOM 362 1HD2 ASN 25 -17.792 -36.584 41.617 1.00 0.42 H ATOM 363 2HD2 ASN 25 -16.325 -36.245 42.513 1.00 0.42 H ATOM 364 N GLY 26 -17.127 -33.891 47.604 1.00 -0.42 N ATOM 365 H GLY 26 -17.937 -33.321 47.383 1.00 0.27 H ATOM 366 CA GLY 26 -16.170 -33.454 48.615 1.00 -0.03 C ATOM 367 1HA GLY 26 -15.938 -34.313 49.244 1.00 0.07 H ATOM 368 2HA GLY 26 -15.247 -33.192 48.096 1.00 0.07 H ATOM 369 C GLY 26 -16.490 -32.307 49.554 1.00 0.60 C ATOM 370 O GLY 26 -15.826 -32.182 50.578 1.00 -0.57 O ATOM 371 N VAL 27 -17.509 -31.498 49.298 1.00 -0.42 N ATOM 372 H VAL 27 -18.090 -31.634 48.476 1.00 0.27 H ATOM 373 CA VAL 27 -17.850 -30.409 50.217 1.00 -0.09 C ATOM 374 HA VAL 27 -16.952 -29.830 50.429 1.00 0.10 H ATOM 375 C VAL 27 -18.329 -31.060 51.509 1.00 0.60 C ATOM 376 O VAL 27 -17.960 -30.638 52.598 1.00 -0.57 O ATOM 377 CB VAL 27 -18.930 -29.461 49.625 1.00 0.30 C ATOM 378 HB VAL 27 -19.832 -30.038 49.434 1.00 -0.03 H ATOM 379 CG1 VAL 27 -19.272 -28.308 50.584 1.00 -0.32 C ATOM 380 1HG1 VAL 27 -19.601 -28.695 51.548 1.00 0.08 H ATOM 381 2HG1 VAL 27 -18.403 -27.677 50.738 1.00 0.08 H ATOM 382 3HG1 VAL 27 -20.080 -27.707 50.161 1.00 0.08 H ATOM 383 CG2 VAL 27 -18.430 -28.859 48.292 1.00 -0.32 C ATOM 384 1HG2 VAL 27 -18.279 -29.642 47.550 1.00 0.08 H ATOM 385 2HG2 VAL 27 -19.179 -28.168 47.899 1.00 0.08 H ATOM 386 3HG2 VAL 27 -17.494 -28.320 48.442 1.00 0.08 H ATOM 387 N LYS 28 -19.048 -32.169 51.380 1.00 -0.35 N ATOM 388 H LYS 28 -19.350 -32.455 50.454 1.00 0.28 H ATOM 389 CA LYS 28 -19.444 -32.985 52.534 1.00 -0.24 C ATOM 390 HA LYS 28 -20.059 -32.359 53.181 1.00 0.14 H ATOM 391 C LYS 28 -18.307 -33.491 53.415 1.00 0.73 C ATOM 392 O LYS 28 -18.542 -33.821 54.568 1.00 -0.59 O ATOM 393 CB LYS 28 -20.317 -34.165 52.075 1.00 -0.01 C ATOM 394 1HB LYS 28 -20.680 -34.693 52.958 1.00 0.04 H ATOM 395 2HB LYS 28 -21.180 -33.743 51.577 1.00 0.04 H ATOM 396 CG LYS 28 -19.698 -35.190 51.106 1.00 0.02 C ATOM 397 1HG LYS 28 -20.511 -35.602 50.509 1.00 0.01 H ATOM 398 2HG LYS 28 -19.003 -34.688 50.434 1.00 0.01 H ATOM 399 CD LYS 28 -18.988 -36.364 51.802 1.00 -0.05 C ATOM 400 1HD LYS 28 -18.102 -36.003 52.319 1.00 0.06 H ATOM 401 2HD LYS 28 -19.666 -36.791 52.542 1.00 0.06 H ATOM 402 CE LYS 28 -18.578 -37.481 50.831 1.00 -0.01 C ATOM 403 1HE LYS 28 -18.149 -38.300 51.413 1.00 0.11 H ATOM 404 2HE LYS 28 -19.480 -37.856 50.340 1.00 0.11 H ATOM 405 NZ LYS 28 -17.596 -37.075 49.769 1.00 -0.38 N ATOM 406 1HZ LYS 28 -16.787 -36.633 50.178 1.00 0.17 H ATOM 407 2HZ LYS 28 -17.298 -37.886 49.244 1.00 0.17 H ATOM 408 3HZ LYS 28 -18.048 -36.434 49.122 1.00 0.17 H ATOM 409 N LEU 29 -17.088 -33.567 52.896 1.00 -0.42 N ATOM 410 H LEU 29 -16.913 -33.243 51.955 1.00 0.27 H ATOM 411 CA LEU 29 -15.971 -34.071 53.690 1.00 -0.05 C ATOM 412 HA LEU 29 -16.318 -34.908 54.296 1.00 0.09 H ATOM 413 C LEU 29 -15.484 -32.972 54.626 1.00 0.60 C ATOM 414 O LEU 29 -15.289 -33.193 55.811 1.00 -0.57 O ATOM 415 CB LEU 29 -14.829 -34.540 52.781 1.00 -0.11 C ATOM 416 1HB LEU 29 -15.232 -35.263 52.073 1.00 0.05 H ATOM 417 2HB LEU 29 -14.474 -33.681 52.215 1.00 0.05 H ATOM 418 CG LEU 29 -13.606 -35.172 53.466 1.00 0.35 C ATOM 419 HG LEU 29 -13.189 -34.452 54.168 1.00 -0.04 H ATOM 420 CD1 LEU 29 -13.947 -36.451 54.232 1.00 -0.41 C ATOM 421 1HD1 LEU 29 -14.619 -36.220 55.059 1.00 0.10 H ATOM 422 2HD1 LEU 29 -14.411 -37.182 53.572 1.00 0.10 H ATOM 423 3HD1 LEU 29 -13.035 -36.877 54.652 1.00 0.10 H ATOM 424 CD2 LEU 29 -12.545 -35.478 52.414 1.00 -0.41 C ATOM 425 1HD2 LEU 29 -12.269 -34.564 51.886 1.00 0.10 H ATOM 426 2HD2 LEU 29 -11.651 -35.870 52.901 1.00 0.10 H ATOM 427 3HD2 LEU 29 -12.911 -36.215 51.698 1.00 0.10 H ATOM 428 N ARG 30 -15.331 -31.760 54.112 1.00 -0.35 N ATOM 429 H ARG 30 -15.504 -31.609 53.127 1.00 0.28 H ATOM 430 CA ARG 30 -14.900 -30.640 54.960 1.00 -0.26 C ATOM 431 HA ARG 30 -14.161 -31.026 55.667 1.00 0.16 H ATOM 432 C ARG 30 -16.039 -30.107 55.820 1.00 0.73 C ATOM 433 O ARG 30 -15.817 -29.418 56.809 1.00 -0.59 O ATOM 434 CB ARG 30 -14.191 -29.551 54.141 1.00 -0.00 C ATOM 435 1HB ARG 30 -13.924 -28.732 54.809 1.00 0.03 H ATOM 436 2HB ARG 30 -13.257 -29.990 53.788 1.00 0.03 H ATOM 437 CG ARG 30 -14.889 -28.971 52.902 1.00 0.04 C ATOM 438 1HG ARG 30 -14.106 -28.571 52.259 1.00 0.03 H ATOM 439 2HG ARG 30 -15.400 -29.757 52.349 1.00 0.03 H ATOM 440 CD ARG 30 -15.860 -27.833 53.189 1.00 0.05 C ATOM 441 1HD ARG 30 -16.827 -28.238 53.494 1.00 0.07 H ATOM 442 2HD ARG 30 -15.461 -27.219 53.997 1.00 0.07 H ATOM 443 NE ARG 30 -16.008 -26.994 51.988 1.00 -0.53 N ATOM 444 HE ARG 30 -15.495 -27.289 51.176 1.00 0.35 H ATOM 445 CZ ARG 30 -16.725 -25.882 51.886 1.00 0.81 C ATOM 446 NH1 ARG 30 -16.678 -25.206 50.772 1.00 -0.86 N ATOM 447 1HH1 ARG 30 -16.098 -25.510 50.010 1.00 0.32 H ATOM 448 2HH1 ARG 30 -17.222 -24.362 50.682 1.00 0.32 H ATOM 449 NH2 ARG 30 -17.477 -25.407 52.836 1.00 -0.86 N ATOM 450 1HH2 ARG 30 -17.600 -25.922 53.714 1.00 0.32 H ATOM 451 2HH2 ARG 30 -17.950 -24.526 52.748 1.00 0.32 H ATOM 452 N ALA 31 -17.260 -30.469 55.460 1.00 -0.42 N ATOM 453 H ALA 31 -17.388 -30.954 54.583 1.00 0.27 H ATOM 454 CA ALA 31 -18.445 -30.168 56.253 1.00 0.03 C ATOM 455 HA ALA 31 -18.285 -29.232 56.790 1.00 0.08 H ATOM 456 C ALA 31 -18.774 -31.268 57.266 1.00 0.60 C ATOM 457 O ALA 31 -19.823 -31.205 57.905 1.00 -0.57 O ATOM 458 CB ALA 31 -19.628 -29.985 55.312 1.00 -0.18 C ATOM 459 1HB ALA 31 -20.467 -29.563 55.862 1.00 0.06 H ATOM 460 2HB ALA 31 -19.353 -29.298 54.511 1.00 0.06 H ATOM 461 3HB ALA 31 -19.921 -30.944 54.888 1.00 0.06 H ATOM 462 N ASN 32 -17.952 -32.305 57.364 1.00 -0.42 N ATOM 463 H ASN 32 -17.027 -32.263 56.948 1.00 0.27 H ATOM 464 CA ASN 32 -18.368 -33.562 58.000 1.00 0.01 C ATOM 465 HA ASN 32 -19.188 -33.947 57.395 1.00 0.10 H ATOM 466 C ASN 32 -18.928 -33.430 59.415 1.00 0.60 C ATOM 467 O ASN 32 -19.924 -34.080 59.736 1.00 -0.57 O ATOM 468 CB ASN 32 -17.247 -34.617 57.966 1.00 -0.20 C ATOM 469 1HB ASN 32 -17.652 -35.564 58.317 1.00 0.08 H ATOM 470 2HB ASN 32 -16.915 -34.750 56.939 1.00 0.08 H ATOM 471 CG ASN 32 -16.046 -34.259 58.831 1.00 0.71 C ATOM 472 OD1 ASN 32 -15.788 -33.107 59.146 1.00 -0.59 O ATOM 473 ND2 ASN 32 -15.323 -35.259 59.249 1.00 -0.92 N ATOM 474 1HD2 ASN 32 -14.524 -35.057 59.827 1.00 0.42 H ATOM 475 2HD2 ASN 32 -15.552 -36.200 58.986 1.00 0.42 H ATOM 476 N CYS 33 -18.368 -32.550 60.228 1.00 -0.42 N ATOM 477 H CYS 33 -17.480 -32.131 59.956 1.00 0.27 H ATOM 478 CA CYS 33 -18.980 -32.178 61.496 1.00 0.02 C ATOM 479 HA CYS 33 -19.588 -33.004 61.868 1.00 0.11 H ATOM 480 C CYS 33 -19.901 -30.963 61.337 1.00 0.60 C ATOM 481 O CYS 33 -21.084 -31.017 61.665 1.00 -0.57 O ATOM 482 CB CYS 33 -17.863 -31.902 62.509 1.00 -0.12 C ATOM 483 1HB CYS 33 -18.299 -31.473 63.413 1.00 0.11 H ATOM 484 2HB CYS 33 -17.406 -32.856 62.775 1.00 0.11 H ATOM 485 SG CYS 33 -16.547 -30.810 61.888 1.00 -0.31 S ATOM 486 HG CYS 33 -15.724 -30.940 62.937 1.00 0.19 H ATOM 487 N LYS 34 -19.363 -29.857 60.842 1.00 -0.35 N ATOM 488 H LYS 34 -18.417 -29.899 60.490 1.00 0.28 H ATOM 489 CA LYS 34 -20.028 -28.550 60.916 1.00 -0.24 C ATOM 490 HA LYS 34 -20.414 -28.455 61.932 1.00 0.14 H ATOM 491 C LYS 34 -21.243 -28.318 60.020 1.00 0.73 C ATOM 492 O LYS 34 -21.973 -27.342 60.191 1.00 -0.59 O ATOM 493 CB LYS 34 -18.982 -27.444 60.755 1.00 -0.01 C ATOM 494 1HB LYS 34 -19.465 -26.490 60.974 1.00 0.04 H ATOM 495 2HB LYS 34 -18.213 -27.608 61.509 1.00 0.04 H ATOM 496 CG LYS 34 -18.289 -27.328 59.402 1.00 0.02 C ATOM 497 1HG LYS 34 -17.828 -28.275 59.121 1.00 0.01 H ATOM 498 2HG LYS 34 -19.019 -27.044 58.649 1.00 0.01 H ATOM 499 CD LYS 34 -17.213 -26.247 59.537 1.00 -0.05 C ATOM 500 1HD LYS 34 -17.616 -25.434 60.144 1.00 0.06 H ATOM 501 2HD LYS 34 -16.357 -26.671 60.062 1.00 0.06 H ATOM 502 CE LYS 34 -16.751 -25.635 58.222 1.00 -0.01 C ATOM 503 1HE LYS 34 -17.588 -25.081 57.787 1.00 0.11 H ATOM 504 2HE LYS 34 -15.958 -24.919 58.438 1.00 0.11 H ATOM 505 NZ LYS 34 -16.264 -26.609 57.208 1.00 -0.38 N ATOM 506 1HZ LYS 34 -15.701 -26.135 56.522 1.00 0.17 H ATOM 507 2HZ LYS 34 -15.735 -27.358 57.638 1.00 0.17 H ATOM 508 3HZ LYS 34 -17.064 -27.013 56.720 1.00 0.17 H ATOM 509 N LYS 35 -21.590 -29.291 59.191 1.00 -0.35 N ATOM 510 H LYS 35 -20.951 -30.068 59.030 1.00 0.28 H ATOM 511 CA LYS 35 -22.900 -29.294 58.532 1.00 -0.24 C ATOM 512 HA LYS 35 -22.974 -28.384 57.935 1.00 0.14 H ATOM 513 C LYS 35 -24.051 -29.278 59.535 1.00 0.73 C ATOM 514 O LYS 35 -25.153 -28.877 59.184 1.00 -0.59 O ATOM 515 CB LYS 35 -23.036 -30.494 57.589 1.00 -0.01 C ATOM 516 1HB LYS 35 -23.928 -30.357 56.978 1.00 0.04 H ATOM 517 2HB LYS 35 -22.175 -30.504 56.926 1.00 0.04 H ATOM 518 CG LYS 35 -23.134 -31.852 58.282 1.00 0.02 C ATOM 519 1HG LYS 35 -22.349 -31.935 59.034 1.00 0.01 H ATOM 520 2HG LYS 35 -24.106 -31.931 58.770 1.00 0.01 H ATOM 521 CD LYS 35 -22.977 -32.988 57.280 1.00 -0.05 C ATOM 522 1HD LYS 35 -23.619 -32.797 56.419 1.00 0.06 H ATOM 523 2HD LYS 35 -21.940 -33.017 56.943 1.00 0.06 H ATOM 524 CE LYS 35 -23.359 -34.341 57.883 1.00 -0.01 C ATOM 525 1HE LYS 35 -24.430 -34.336 58.096 1.00 0.11 H ATOM 526 2HE LYS 35 -23.165 -35.118 57.141 1.00 0.11 H ATOM 527 NZ LYS 35 -22.620 -34.673 59.149 1.00 -0.38 N ATOM 528 1HZ LYS 35 -22.841 -35.611 59.448 1.00 0.17 H ATOM 529 2HZ LYS 35 -21.614 -34.599 59.004 1.00 0.17 H ATOM 530 3HZ LYS 35 -22.872 -34.022 59.878 1.00 0.17 H ATOM 531 N THR 36 -23.817 -29.653 60.787 1.00 -0.42 N ATOM 532 H THR 36 -22.892 -29.969 61.069 1.00 0.27 H ATOM 533 CA THR 36 -24.856 -29.584 61.814 1.00 -0.04 C ATOM 534 HA THR 36 -25.700 -30.206 61.517 1.00 0.10 H ATOM 535 C THR 36 -25.385 -28.166 62.020 1.00 0.60 C ATOM 536 O THR 36 -26.599 -27.983 62.087 1.00 -0.57 O ATOM 537 CB THR 36 -24.314 -30.079 63.162 1.00 0.37 C ATOM 538 HB THR 36 -25.017 -29.827 63.956 1.00 0.00 H ATOM 539 OG1 THR 36 -23.050 -29.454 63.398 1.00 -0.68 O ATOM 540 HG1 THR 36 -22.679 -29.822 64.207 1.00 0.41 H ATOM 541 CG2 THR 36 -24.089 -31.584 63.155 1.00 -0.24 C ATOM 542 1HG2 THR 36 -23.713 -31.894 64.129 1.00 0.06 H ATOM 543 2HG2 THR 36 -25.032 -32.097 62.965 1.00 0.06 H ATOM 544 3HG2 THR 36 -23.363 -31.859 62.392 1.00 0.06 H ATOM 545 N CYS 37 -24.525 -27.155 62.040 1.00 -0.42 N ATOM 546 H CYS 37 -23.526 -27.329 61.980 1.00 0.27 H ATOM 547 CA CYS 37 -24.999 -25.773 62.134 1.00 0.02 C ATOM 548 HA CYS 37 -25.942 -25.756 62.683 1.00 0.11 H ATOM 549 C CYS 37 -25.275 -25.212 60.740 1.00 0.60 C ATOM 550 O CYS 37 -26.026 -24.262 60.581 1.00 -0.57 O ATOM 551 CB CYS 37 -23.991 -24.907 62.895 1.00 -0.12 C ATOM 552 1HB CYS 37 -24.394 -23.894 62.970 1.00 0.11 H ATOM 553 2HB CYS 37 -23.888 -25.307 63.904 1.00 0.11 H ATOM 554 SG CYS 37 -22.353 -24.835 62.141 1.00 -0.31 S ATOM 555 HG CYS 37 -21.797 -24.020 63.046 1.00 0.19 H ATOM 556 N GLY 38 -24.713 -25.848 59.722 1.00 -0.42 N ATOM 557 H GLY 38 -24.050 -26.594 59.904 1.00 0.27 H ATOM 558 CA GLY 38 -25.004 -25.498 58.339 1.00 -0.03 C ATOM 559 1HA GLY 38 -25.028 -26.412 57.746 1.00 0.07 H ATOM 560 2HA GLY 38 -25.979 -25.016 58.273 1.00 0.07 H ATOM 561 C GLY 38 -23.969 -24.578 57.732 1.00 0.60 C ATOM 562 O GLY 38 -23.972 -24.342 56.524 1.00 -0.57 O ATOM 563 N LEU 39 -23.036 -24.123 58.556 1.00 -0.42 N ATOM 564 H LEU 39 -23.079 -24.365 59.533 1.00 0.27 H ATOM 565 CA LEU 39 -21.889 -23.340 58.098 1.00 -0.05 C ATOM 566 HA LEU 39 -22.161 -22.753 57.221 1.00 0.09 H ATOM 567 C LEU 39 -20.862 -24.390 57.685 1.00 0.60 C ATOM 568 O LEU 39 -19.954 -24.725 58.437 1.00 -0.57 O ATOM 569 CB LEU 39 -21.329 -22.416 59.193 1.00 -0.11 C ATOM 570 1HB LEU 39 -21.119 -23.025 60.070 1.00 0.05 H ATOM 571 2HB LEU 39 -20.367 -22.058 58.825 1.00 0.05 H ATOM 572 CG LEU 39 -22.095 -21.164 59.667 1.00 0.35 C ATOM 573 HG LEU 39 -21.439 -20.639 60.361 1.00 -0.04 H ATOM 574 CD1 LEU 39 -22.381 -20.213 58.504 1.00 -0.41 C ATOM 575 1HD1 LEU 39 -21.455 -19.986 57.975 1.00 0.10 H ATOM 576 2HD1 LEU 39 -23.092 -20.663 57.809 1.00 0.10 H ATOM 577 3HD1 LEU 39 -22.800 -19.282 58.887 1.00 0.10 H ATOM 578 CD2 LEU 39 -23.399 -21.446 60.418 1.00 -0.41 C ATOM 579 1HD2 LEU 39 -24.132 -21.905 59.753 1.00 0.10 H ATOM 580 2HD2 LEU 39 -23.202 -22.113 61.254 1.00 0.10 H ATOM 581 3HD2 LEU 39 -23.808 -20.513 60.805 1.00 0.10 H ATOM 582 N CYS 40 -21.129 -24.986 56.534 1.00 -0.42 N ATOM 583 H CYS 40 -21.893 -24.615 55.989 1.00 0.27 H ATOM 584 CA CYS 40 -20.431 -26.163 56.027 1.00 0.02 C ATOM 585 HA CYS 40 -20.373 -26.906 56.818 1.00 0.11 H ATOM 586 C CYS 40 -19.014 -25.879 55.545 1.00 0.60 C ATOM 587 O CYS 40 -18.284 -26.852 55.256 1.00 -0.57 O ATOM 588 OXT CYS 40 -18.628 -24.707 55.422 1.00 -0.57 O ATOM 589 CB CYS 40 -21.256 -26.726 54.871 1.00 -0.12 C ATOM 590 1HB CYS 40 -21.304 -25.976 54.083 1.00 0.11 H ATOM 591 2HB CYS 40 -20.741 -27.595 54.471 1.00 0.11 H ATOM 592 SG CYS 40 -22.941 -27.198 55.355 1.00 -0.31 S ATOM 593 HG CYS 40 -23.396 -25.956 55.600 1.00 0.19 H TER 594 CYS 40 END
SEQUENCE	AACSDRAHGHICESFKSFCKDSGRNGVKLRANCKKTCGLC
HELICITY	27.50	INSTAB. INDEX	31.57	FLEXIBILITY	15.70
a HYD. MOM.	72.82	b HYD. MOM.	35.24	c HYD. MOM	7.79
a MEAN HYD. MOM.	1.82	b MEAN HYD. MOM.	0.88	c MEAN HYD. MOM.	0.19
CHARGE pH5	7.10	CHARGE pH7	4.91	CHARGE pH9	-0.27
Δ CHARGE pH5-pH9	7.37	ISOELECTRIC POINT	9.13	BOMAN INDEX	2.30
ΔG	38	CPP	-0,23	MLP	-27,47
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	Cnidaria	CLASS	Scyphozoa	ORDER	Semaeostomeae
FAMILY	Ulmaridae	GENUS	Aurelia	SPECIES	Aurelia aurita
DATE	2006
TITLE PAPER	Aurelin, a novel antimicrobial peptide from jellyfish Aurelia aurita with structural features of defensins and channel-blocking toxins