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ID	2499	NAME	Cy-AMP2   Blast NCBI-PROT
LENGTH	44	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\KGGPCAKKPCCGPLGHYKVDCSTIPDYPCCSKYGFCGSGPQYCG.pdb REMARK YASARA Written on: Wed May 14 20:57:27 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 612 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA REMARK 2 RESOLUTION. 1.70 ANGSTROMS. REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 2 0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 16.26333 REMARK 290 SMTRY1 3 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 3 -0.866025 -0.500000 0.000000 0.00000 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 32.52667 REMARK 290 SMTRY1 4 -0.500000 0.866025 0.000000 0.00000 REMARK 290 SMTRY2 4 0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 5 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 5 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 32.52667 REMARK 290 SMTRY1 6 -0.500000 -0.866025 0.000000 0.00000 REMARK 290 SMTRY2 6 -0.866025 0.500000 0.000000 0.00000 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 16.26333 COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEVEIN ISOFORM 2; COMPND 3 CHAIN: A; COMPND 4 MOL_ID: 2; COMPND 5 MOLECULE: `NOTE:` This template has been downloaded from PDB_REDO (www.cmbi.ru.nl/pdb_redo), since re-refinement improved the structure quality Z-score by 0.200.; SEQRES 1 A 44 LYS GLY GLY PRO CYS ALA LYS LYS PRO CYS CYS GLY PRO SEQRES 2 A 44 LEU GLY HIS TYR LYS VAL ASP CYS SER THR ILE PRO ASP SEQRES 3 A 44 TYR PRO CYS CYS SER LYS TYR GLY PHE CYS GLY SER GLY SEQRES 4 A 44 PRO GLN TYR CYS GLY CRYST1 37.200 37.200 48.790 90.00 90.00 120.00 P 31 2 1 6 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 0.026880 0.015520 0.000000 0.00000 SCALE2 0.000000 0.031040 0.000000 0.00000 SCALE3 0.000000 0.000000 0.020500 0.00000 SSBOND 1 CYS A 29 CYS A 43 2.03 ATOM 1 N LYS A 1 10.931 51.211 47.436 1.00-17.97 N ATOM 2 1H LYS A 1 10.935 50.240 47.724 1.00-17.97 H ATOM 3 2H LYS A 1 11.385 51.768 48.150 1.00-17.97 H ATOM 4 3H LYS A 1 11.433 51.297 46.564 1.00-17.97 H ATOM 5 CA LYS A 1 9.524 51.673 47.252 1.00-17.97 C ATOM 6 HA LYS A 1 8.994 51.564 48.198 1.00-17.97 H ATOM 7 C LYS A 1 8.854 50.835 46.184 1.00-17.97 C ATOM 8 O LYS A 1 9.549 50.396 45.279 1.00-17.97 O ATOM 9 CB LYS A 1 9.521 53.146 46.817 1.00-17.97 C ATOM 10 1HB LYS A 1 10.339 53.639 47.340 1.00-17.97 H ATOM 11 2HB LYS A 1 9.726 53.209 45.748 1.00-17.97 H ATOM 12 CG LYS A 1 8.229 53.911 47.138 1.00-17.97 C ATOM 13 1HG LYS A 1 7.407 53.546 46.524 1.00-17.97 H ATOM 14 2HG LYS A 1 7.989 53.736 48.186 1.00-17.97 H ATOM 15 CD LYS A 1 8.407 55.422 46.931 1.00-17.97 C ATOM 16 1HD LYS A 1 9.388 55.709 47.305 1.00-17.97 H ATOM 17 2HD LYS A 1 8.360 55.665 45.868 1.00-17.97 H ATOM 18 CE LYS A 1 7.356 56.218 47.710 1.00-17.97 C ATOM 19 1HE LYS A 1 6.380 56.112 47.231 1.00-17.97 H ATOM 20 2HE LYS A 1 7.290 55.808 48.722 1.00-17.97 H ATOM 21 NZ LYS A 1 7.722 57.674 47.831 1.00-17.97 N ATOM 22 1HZ LYS A 1 7.106 58.121 48.502 1.00-17.97 H ATOM 23 2HZ LYS A 1 7.652 58.136 46.936 1.00-17.97 H ATOM 24 3HZ LYS A 1 8.674 57.754 48.180 1.00-17.97 H ATOM 25 N GLY A 2 7.547 50.612 46.259 1.00 6.72 N ATOM 26 H GLY A 2 7.009 50.949 47.042 1.00 6.72 H ATOM 27 CA GLY A 2 6.837 49.866 45.227 1.00 6.72 C ATOM 28 1HA GLY A 2 5.781 50.138 45.255 1.00 6.72 H ATOM 29 2HA GLY A 2 7.235 50.133 44.248 1.00 6.72 H ATOM 30 C GLY A 2 6.944 48.364 45.396 1.00 6.72 C ATOM 31 O GLY A 2 5.951 47.700 45.653 1.00 6.72 O ATOM 32 N GLY A 3 8.158 47.840 45.310 1.00 6.09 N ATOM 33 H GLY A 3 8.947 48.436 45.097 1.00 6.09 H ATOM 34 CA GLY A 3 8.376 46.424 45.554 1.00 6.09 C ATOM 35 1HA GLY A 3 7.633 45.850 45.001 1.00 6.09 H ATOM 36 2HA GLY A 3 9.370 46.141 45.210 1.00 6.09 H ATOM 37 C GLY A 3 8.255 46.099 47.033 1.00 6.09 C ATOM 38 O GLY A 3 8.240 47.023 47.864 1.00 6.09 O ATOM 39 N PRO A 4 8.192 44.809 47.405 1.00-23.79 N ATOM 40 CA PRO A 4 8.088 44.485 48.832 1.00-23.79 C ATOM 41 HA PRO A 4 7.276 45.045 49.296 1.00-23.79 H ATOM 42 C PRO A 4 9.386 44.751 49.585 1.00-23.79 C ATOM 43 O PRO A 4 10.442 44.986 48.995 1.00-23.79 O ATOM 44 CB PRO A 4 7.755 42.992 48.811 1.00-23.79 C ATOM 45 1HB PRO A 4 8.124 42.495 49.706 1.00-23.79 H ATOM 46 2HB PRO A 4 6.680 42.846 48.707 1.00-23.79 H ATOM 47 CG PRO A 4 8.453 42.495 47.608 1.00-23.79 C ATOM 48 1HG PRO A 4 9.518 42.385 47.814 1.00-23.79 H ATOM 49 2HG PRO A 4 8.028 41.548 47.273 1.00-23.79 H ATOM 50 CD PRO A 4 8.223 43.582 46.585 1.00-23.79 C ATOM 51 1HD PRO A 4 9.043 43.607 45.866 1.00-23.79 H ATOM 52 2HD PRO A 4 7.265 43.440 46.083 1.00-23.79 H ATOM 53 N CYS A 5 9.314 44.711 50.906 1.00 27.80 N ATOM 54 H CYS A 5 8.435 44.522 51.360 1.00 27.80 H ATOM 55 CA CYS A 5 10.483 44.949 51.738 1.00 27.80 C ATOM 56 HA CYS A 5 10.998 45.832 51.363 1.00 27.80 H ATOM 57 C CYS A 5 11.470 43.782 51.740 1.00 27.80 C ATOM 58 O CYS A 5 11.335 42.855 52.539 1.00 27.80 O ATOM 59 CB CYS A 5 10.013 45.225 53.165 1.00 27.80 C ATOM 60 1HB CYS A 5 9.719 44.289 53.632 1.00 27.80 H ATOM 61 2HB CYS A 5 10.846 45.643 53.732 1.00 27.80 H ATOM 62 SG CYS A 5 8.603 46.348 53.251 1.00 27.80 S ATOM 63 HG CYS A 5 8.776 46.657 54.549 1.00 27.80 H ATOM 64 N ALA A 6 12.474 43.814 50.876 1.00 3.52 N ATOM 65 H ALA A 6 12.507 44.548 50.183 1.00 3.52 H ATOM 66 CA ALA A 6 13.546 42.826 50.938 1.00 3.52 C ATOM 67 HA ALA A 6 13.120 41.826 50.844 1.00 3.52 H ATOM 68 C ALA A 6 14.193 42.979 52.320 1.00 3.52 C ATOM 69 O ALA A 6 14.379 44.101 52.771 1.00 3.52 O ATOM 70 CB ALA A 6 14.560 43.073 49.814 1.00 3.52 C ATOM 71 1HB ALA A 6 14.067 42.975 48.845 1.00 3.52 H ATOM 72 2HB ALA A 6 15.368 42.344 49.878 1.00 3.52 H ATOM 73 3HB ALA A 6 14.976 44.078 49.907 1.00 3.52 H ATOM 74 N LYS A 7 14.475 41.858 52.984 1.00 -4.71 N ATOM 75 H LYS A 7 14.308 40.984 52.509 1.00 -4.71 H ATOM 76 CA LYS A 7 14.961 41.784 54.385 1.00 -4.71 C ATOM 77 HA LYS A 7 15.158 40.736 54.611 1.00 -4.71 H ATOM 78 C LYS A 7 13.945 42.251 55.439 1.00 -4.71 C ATOM 79 O LYS A 7 14.270 42.318 56.618 1.00 -4.71 O ATOM 80 CB LYS A 7 16.290 42.538 54.599 1.00 -4.71 C ATOM 81 1HB LYS A 7 16.110 43.606 54.492 1.00 -4.71 H ATOM 82 2HB LYS A 7 16.628 42.365 55.621 1.00 -4.71 H ATOM 83 CG LYS A 7 17.420 42.155 53.653 1.00 -4.71 C ATOM 84 1HG LYS A 7 17.626 41.088 53.738 1.00 -4.71 H ATOM 85 2HG LYS A 7 17.130 42.388 52.628 1.00 -4.71 H ATOM 86 CD LYS A 7 18.672 42.946 54.008 1.00 -4.71 C ATOM 87 1HD LYS A 7 18.444 44.011 53.941 1.00 -4.71 H ATOM 88 2HD LYS A 7 18.962 42.710 55.034 1.00 -4.71 H ATOM 89 CE LYS A 7 19.826 42.622 53.068 1.00 -4.71 C ATOM 90 1HE LYS A 7 20.058 41.557 53.144 1.00 -4.71 H ATOM 91 2HE LYS A 7 19.521 42.841 52.042 1.00 -4.71 H ATOM 92 NZ LYS A 7 21.048 43.433 53.410 1.00 -4.71 N ATOM 93 1HZ LYS A 7 21.793 43.226 52.757 1.00 -4.71 H ATOM 94 2HZ LYS A 7 21.357 43.210 54.347 1.00 -4.71 H ATOM 95 3HZ LYS A 7 20.830 44.419 53.362 1.00 -4.71 H ATOM 96 N LYS A 8 12.726 42.559 55.013 1.00 39.61 N ATOM 97 H LYS A 8 12.537 42.503 54.017 1.00 39.61 H ATOM 98 CA LYS A 8 11.608 42.996 55.865 1.00 39.61 C ATOM 99 HA LYS A 8 10.816 43.231 55.160 1.00 39.61 H ATOM 100 C LYS A 8 11.696 44.263 56.754 1.00 39.61 C ATOM 101 O LYS A 8 10.933 44.362 57.722 1.00 39.61 O ATOM 102 CB LYS A 8 11.107 41.776 56.671 1.00 39.61 C ATOM 103 1HB LYS A 8 11.758 40.934 56.437 1.00 39.61 H ATOM 104 2HB LYS A 8 11.210 41.961 57.739 1.00 39.61 H ATOM 105 CG LYS A 8 9.669 41.328 56.355 1.00 39.61 C ATOM 106 1HG LYS A 8 9.603 41.135 55.286 1.00 39.61 H ATOM 107 2HG LYS A 8 9.473 40.392 56.878 1.00 39.61 H ATOM 108 CD LYS A 8 8.574 42.333 56.734 1.00 39.61 C ATOM 109 1HD LYS A 8 8.815 43.308 56.313 1.00 39.61 H ATOM 110 2HD LYS A 8 7.638 42.000 56.295 1.00 39.61 H ATOM 111 CE LYS A 8 8.375 42.471 58.246 1.00 39.61 C ATOM 112 1HE LYS A 8 8.023 41.520 58.650 1.00 39.61 H ATOM 113 2HE LYS A 8 9.326 42.728 58.716 1.00 39.61 H ATOM 114 NZ LYS A 8 7.380 43.548 58.548 1.00 39.61 N ATOM 115 1HZ LYS A 8 7.160 43.560 59.533 1.00 39.61 H ATOM 116 2HZ LYS A 8 6.517 43.375 58.031 1.00 39.61 H ATOM 117 3HZ LYS A 8 7.747 44.447 58.272 1.00 39.61 H ATOM 118 N PRO A 9 12.551 45.267 56.446 1.00 37.44 N ATOM 119 CA PRO A 9 12.321 46.457 57.281 1.00 37.44 C ATOM 120 HA PRO A 9 12.343 46.202 58.340 1.00 37.44 H ATOM 121 C PRO A 9 11.024 47.185 56.916 1.00 37.44 C ATOM 122 O PRO A 9 10.400 46.898 55.898 1.00 37.44 O ATOM 123 CB PRO A 9 13.506 47.358 56.934 1.00 37.44 C ATOM 124 1HB PRO A 9 13.174 48.138 56.258 1.00 37.44 H ATOM 125 2HB PRO A 9 13.941 47.790 57.831 1.00 37.44 H ATOM 126 CG PRO A 9 14.480 46.498 56.254 1.00 37.44 C ATOM 127 1HG PRO A 9 15.131 47.079 55.601 1.00 37.44 H ATOM 128 2HG PRO A 9 15.062 45.936 56.986 1.00 37.44 H ATOM 129 CD PRO A 9 13.611 45.578 55.472 1.00 37.44 C ATOM 130 1HD PRO A 9 13.195 46.074 54.592 1.00 37.44 H ATOM 131 2HD PRO A 9 14.174 44.698 55.189 1.00 37.44 H ATOM 132 N CYS A 10 10.626 48.158 57.715 1.00 13.40 N ATOM 133 H CYS A 10 11.156 48.398 58.536 1.00 13.40 H ATOM 134 CA CYS A 10 9.420 48.928 57.443 1.00 13.40 C ATOM 135 HA CYS A 10 8.603 48.241 57.223 1.00 13.40 H ATOM 136 C CYS A 10 9.604 49.888 56.256 1.00 13.40 C ATOM 137 O CYS A 10 10.618 50.580 56.158 1.00 13.40 O ATOM 138 CB CYS A 10 9.105 49.694 58.724 1.00 13.40 C ATOM 139 1HB CYS A 10 9.896 50.419 58.903 1.00 13.40 H ATOM 140 2HB CYS A 10 8.175 50.242 58.609 1.00 13.40 H ATOM 141 SG CYS A 10 8.994 48.611 60.168 1.00 13.40 S ATOM 142 HG CYS A 10 9.009 49.597 61.083 1.00 13.40 H ATOM 143 N CYS A 11 8.644 49.935 55.341 1.00 22.93 N ATOM 144 H CYS A 11 7.808 49.377 55.463 1.00 22.93 H ATOM 145 CA CYS A 11 8.738 50.797 54.159 1.00 22.93 C ATOM 146 HA CYS A 11 9.782 50.900 53.860 1.00 22.93 H ATOM 147 C CYS A 11 8.169 52.179 54.482 1.00 22.93 C ATOM 148 O CYS A 11 6.954 52.341 54.598 1.00 22.93 O ATOM 149 CB CYS A 11 7.946 50.170 53.010 1.00 22.93 C ATOM 150 1HB CYS A 11 8.298 49.149 52.867 1.00 22.93 H ATOM 151 2HB CYS A 11 6.898 50.128 53.306 1.00 22.93 H ATOM 152 SG CYS A 11 8.066 51.045 51.420 1.00 22.93 S ATOM 153 HG CYS A 11 7.140 50.302 50.802 1.00 22.93 H ATOM 154 N GLY A 12 9.024 53.175 54.651 1.00 6.44 N ATOM 155 H GLY A 12 10.018 53.020 54.506 1.00 6.44 H ATOM 156 CA GLY A 12 8.535 54.489 55.039 1.00 6.44 C ATOM 157 1HA GLY A 12 7.835 54.364 55.864 1.00 6.44 H ATOM 158 2HA GLY A 12 9.367 55.102 55.380 1.00 6.44 H ATOM 159 C GLY A 12 7.822 55.200 53.906 1.00 6.44 C ATOM 160 O GLY A 12 7.967 54.774 52.762 1.00 6.44 O ATOM 161 N PRO A 13 7.091 56.306 54.143 1.00-10.05 N ATOM 162 CA PRO A 13 6.418 56.989 53.024 1.00-10.05 C ATOM 163 HA PRO A 13 5.682 56.322 52.574 1.00-10.05 H ATOM 164 C PRO A 13 7.363 57.507 51.938 1.00-10.05 C ATOM 165 O PRO A 13 7.007 57.597 50.760 1.00-10.05 O ATOM 166 CB PRO A 13 5.714 58.164 53.713 1.00-10.05 C ATOM 167 1HB PRO A 13 6.344 59.054 53.672 1.00-10.05 H ATOM 168 2HB PRO A 13 4.746 58.361 53.252 1.00-10.05 H ATOM 169 CG PRO A 13 5.544 57.719 55.125 1.00-10.05 C ATOM 170 1HG PRO A 13 5.414 58.571 55.793 1.00-10.05 H ATOM 171 2HG PRO A 13 4.696 57.037 55.200 1.00-10.05 H ATOM 172 CD PRO A 13 6.820 56.989 55.422 1.00-10.05 C ATOM 173 1HD PRO A 13 7.622 57.689 55.660 1.00-10.05 H ATOM 174 2HD PRO A 13 6.668 56.276 56.233 1.00-10.05 H ATOM 175 N LEU A 14 8.599 57.797 52.325 1.00-19.32 N ATOM 176 H LEU A 14 8.832 57.741 53.304 1.00-19.32 H ATOM 177 CA LEU A 14 9.641 58.196 51.379 1.00-19.32 C ATOM 178 HA LEU A 14 9.282 59.030 50.775 1.00-19.32 H ATOM 179 C LEU A 14 9.999 57.044 50.444 1.00-19.32 C ATOM 180 O LEU A 14 10.344 57.252 49.284 1.00-19.32 O ATOM 181 CB LEU A 14 10.900 58.623 52.138 1.00-19.32 C ATOM 182 1HB LEU A 14 11.240 57.766 52.717 1.00-19.32 H ATOM 183 2HB LEU A 14 11.670 58.847 51.398 1.00-19.32 H ATOM 184 CG LEU A 14 10.810 59.823 53.092 1.00-19.32 C ATOM 185 HG LEU A 14 10.017 59.636 53.816 1.00-19.32 H ATOM 186 CD1 LEU A 14 12.124 59.961 53.853 1.00-19.32 C ATOM 187 1HD1 LEU A 14 12.065 60.806 54.541 1.00-19.32 H ATOM 188 2HD1 LEU A 14 12.950 60.130 53.157 1.00-19.32 H ATOM 189 3HD1 LEU A 14 12.320 59.059 54.432 1.00-19.32 H ATOM 190 CD2 LEU A 14 10.497 61.126 52.359 1.00-19.32 C ATOM 191 1HD2 LEU A 14 10.483 61.954 53.070 1.00-19.32 H ATOM 192 2HD2 LEU A 14 9.519 61.066 51.883 1.00-19.32 H ATOM 193 3HD2 LEU A 14 11.258 61.325 51.601 1.00-19.32 H ATOM 194 N GLY A 15 9.840 55.822 50.932 1.00 -2.46 N ATOM 195 H GLY A 15 9.446 55.696 51.858 1.00 -2.46 H ATOM 196 CA GLY A 15 10.102 54.626 50.153 1.00 -2.46 C ATOM 197 1HA GLY A 15 9.260 53.947 50.291 1.00 -2.46 H ATOM 198 2HA GLY A 15 10.156 54.896 49.107 1.00 -2.46 H ATOM 199 C GLY A 15 11.358 53.860 50.485 1.00 -2.46 C ATOM 200 O GLY A 15 11.642 52.845 49.842 1.00 -2.46 O ATOM 201 N HIS A 16 12.097 54.343 51.470 1.00 10.97 N ATOM 202 H HIS A 16 11.820 55.192 51.930 1.00 10.97 H ATOM 203 CA HIS A 16 13.274 53.642 51.966 1.00 10.97 C ATOM 204 HA HIS A 16 13.792 53.161 51.137 1.00 10.97 H ATOM 205 C HIS A 16 12.787 52.596 52.959 1.00 10.97 C ATOM 206 O HIS A 16 11.743 52.788 53.593 1.00 10.97 O ATOM 207 CB HIS A 16 14.214 54.618 52.677 1.00 10.97 C ATOM 208 1HB HIS A 16 13.754 54.916 53.620 1.00 10.97 H ATOM 209 2HB HIS A 16 15.153 54.111 52.898 1.00 10.97 H ATOM 210 CG HIS A 16 14.495 55.859 51.890 1.00 10.97 C ATOM 211 ND1 HIS A 16 15.253 55.908 50.743 1.00 10.97 N ATOM 212 HD1 HIS A 16 15.743 55.138 50.315 1.00 10.97 H ATOM 213 CD2 HIS A 16 14.089 57.139 52.097 1.00 10.97 C ATOM 214 HD2 HIS A 16 13.487 57.468 52.930 1.00 10.97 H ATOM 215 CE1 HIS A 16 15.247 57.169 50.298 1.00 10.97 C ATOM 216 HE1 HIS A 16 15.762 57.509 49.409 1.00 10.97 H ATOM 217 NE2 HIS A 16 14.540 57.953 51.085 1.00 10.97 N ATOM 218 N TYR A 17 13.546 51.525 53.124 1.00 34.86 N ATOM 219 H TYR A 17 14.412 51.432 52.618 1.00 34.86 H ATOM 220 CA TYR A 17 13.183 50.462 54.052 1.00 34.86 C ATOM 221 HA TYR A 17 12.155 50.594 54.373 1.00 34.86 H ATOM 222 C TYR A 17 14.119 50.560 55.255 1.00 34.86 C ATOM 223 O TYR A 17 15.330 50.426 55.094 1.00 34.86 O ATOM 224 CB TYR A 17 13.320 49.095 53.373 1.00 34.86 C ATOM 225 1HB TYR A 17 14.372 48.914 53.157 1.00 34.86 H ATOM 226 2HB TYR A 17 12.975 48.328 54.062 1.00 34.86 H ATOM 227 CG TYR A 17 12.549 48.956 52.075 1.00 34.86 C ATOM 228 CD1 TYR A 17 13.192 49.147 50.833 1.00 34.86 C ATOM 229 HD1 TYR A 17 14.239 49.416 50.808 1.00 34.86 H ATOM 230 CD2 TYR A 17 11.187 48.596 52.074 1.00 34.86 C ATOM 231 HD2 TYR A 17 10.674 48.441 53.014 1.00 34.86 H ATOM 232 CE1 TYR A 17 12.488 48.977 49.613 1.00 34.86 C ATOM 233 HE1 TYR A 17 12.998 49.108 48.671 1.00 34.86 H ATOM 234 CE2 TYR A 17 10.479 48.415 50.846 1.00 34.86 C ATOM 235 HE2 TYR A 17 9.440 48.120 50.855 1.00 34.86 H ATOM 236 CZ TYR A 17 11.141 48.608 49.633 1.00 34.86 C ATOM 237 OH TYR A 17 10.496 48.457 48.430 1.00 34.86 O ATOM 238 HH TYR A 17 9.666 47.955 48.505 1.00 34.86 H ATOM 239 N LYS A 18 13.597 50.824 56.446 1.00 -4.19 N ATOM 240 H LYS A 18 12.587 50.966 56.542 1.00 -4.19 H ATOM 241 CA LYS A 18 14.412 50.864 57.667 1.00 -4.19 C ATOM 242 HA LYS A 18 15.231 50.150 57.581 1.00 -4.19 H ATOM 243 C LYS A 18 13.436 50.451 58.755 1.00 -4.19 C ATOM 244 O LYS A 18 12.267 50.766 58.627 1.00 -4.19 O ATOM 245 CB LYS A 18 14.962 52.275 57.908 1.00 -4.19 C ATOM 246 1HB LYS A 18 15.225 52.706 56.942 1.00 -4.19 H ATOM 247 2HB LYS A 18 14.183 52.890 58.356 1.00 -4.19 H ATOM 248 CG LYS A 18 16.212 52.315 58.783 1.00 -4.19 C ATOM 249 1HG LYS A 18 15.996 51.845 59.738 1.00 -4.19 H ATOM 250 2HG LYS A 18 17.003 51.754 58.287 1.00 -4.19 H ATOM 251 CD LYS A 18 16.688 53.754 59.006 1.00 -4.19 C ATOM 252 1HD LYS A 18 16.782 54.237 58.033 1.00 -4.19 H ATOM 253 2HD LYS A 18 15.941 54.297 59.588 1.00 -4.19 H ATOM 254 CE LYS A 18 18.046 53.841 59.719 1.00 -4.19 C ATOM 255 1HE LYS A 18 18.771 53.250 59.156 1.00 -4.19 H ATOM 256 2HE LYS A 18 18.372 54.883 59.700 1.00 -4.19 H ATOM 257 NZ LYS A 18 18.040 53.379 61.150 1.00 -4.19 N ATOM 258 1HZ LYS A 18 18.968 53.396 61.543 1.00 -4.19 H ATOM 259 2HZ LYS A 18 17.649 52.447 61.223 1.00 -4.19 H ATOM 260 3HZ LYS A 18 17.432 53.979 61.711 1.00 -4.19 H ATOM 261 N VAL A 19 13.852 49.759 59.804 1.00 8.08 N ATOM 262 H VAL A 19 14.826 49.535 59.923 1.00 8.08 H ATOM 263 CA VAL A 19 12.897 49.296 60.823 1.00 8.08 C ATOM 264 HA VAL A 19 12.054 48.821 60.323 1.00 8.08 H ATOM 265 C VAL A 19 12.321 50.461 61.629 1.00 8.08 C ATOM 266 O VAL A 19 11.273 50.354 62.244 1.00 8.08 O ATOM 267 CB VAL A 19 13.536 48.247 61.778 1.00 8.08 C ATOM 268 HB VAL A 19 12.797 47.969 62.527 1.00 8.08 H ATOM 269 CG1 VAL A 19 13.917 46.978 60.995 1.00 8.08 C ATOM 270 1HG1 VAL A 19 14.307 46.230 61.689 1.00 8.08 H ATOM 271 2HG1 VAL A 19 14.676 47.191 60.244 1.00 8.08 H ATOM 272 3HG1 VAL A 19 13.031 46.564 60.514 1.00 8.08 H ATOM 273 CG2 VAL A 19 14.784 48.798 62.498 1.00 8.08 C ATOM 274 1HG2 VAL A 19 15.155 48.050 63.201 1.00 8.08 H ATOM 275 2HG2 VAL A 19 14.523 49.693 63.067 1.00 8.08 H ATOM 276 3HG2 VAL A 19 15.576 49.043 61.793 1.00 8.08 H ATOM 277 N ASP A 20 13.013 51.585 61.550 1.00 3.43 N ATOM 278 H ASP A 20 13.889 51.572 61.054 1.00 3.43 H ATOM 279 CA ASP A 20 12.670 52.839 62.214 1.00 3.43 C ATOM 280 HA ASP A 20 12.551 52.673 63.285 1.00 3.43 H ATOM 281 C ASP A 20 11.402 53.467 61.642 1.00 3.43 C ATOM 282 O ASP A 20 10.771 54.321 62.258 1.00 3.43 O ATOM 283 CB ASP A 20 13.778 53.877 61.954 1.00 3.43 C ATOM 284 1HB ASP A 20 13.819 54.073 60.882 1.00 3.43 H ATOM 285 2HB ASP A 20 13.518 54.805 62.463 1.00 3.43 H ATOM 286 CG ASP A 20 15.172 53.437 62.397 1.00 3.43 C ATOM 287 OD1 ASP A 20 15.946 54.333 62.788 1.00 3.43 O ATOM 288 OD2 ASP A 20 15.608 52.285 62.143 1.00 3.43 O ATOM 289 N CYS A 21 11.084 53.123 60.404 1.00 13.96 N ATOM 290 H CYS A 21 11.577 52.373 59.942 1.00 13.96 H ATOM 291 CA CYS A 21 10.033 53.827 59.686 1.00 13.96 C ATOM 292 HA CYS A 21 10.195 54.899 59.800 1.00 13.96 H ATOM 293 C CYS A 21 8.628 53.502 60.184 1.00 13.96 C ATOM 294 O CYS A 21 8.215 52.345 60.227 1.00 13.96 O ATOM 295 CB CYS A 21 10.101 53.473 58.201 1.00 13.96 C ATOM 296 1HB CYS A 21 9.977 52.396 58.099 1.00 13.96 H ATOM 297 2HB CYS A 21 9.264 53.954 57.699 1.00 13.96 H ATOM 298 SG CYS A 21 11.639 53.963 57.380 1.00 13.96 S ATOM 299 HG CYS A 21 11.469 53.191 56.298 1.00 13.96 H ATOM 300 N SER A 22 7.836 54.541 60.402 1.00 9.53 N ATOM 301 H SER A 22 8.226 55.461 60.522 1.00 9.53 H ATOM 302 CA SER A 22 6.387 54.386 60.379 1.00 9.53 C ATOM 303 HA SER A 22 6.085 53.641 61.115 1.00 9.53 H ATOM 304 C SER A 22 6.037 53.911 58.971 1.00 9.53 C ATOM 305 O SER A 22 6.619 54.394 57.997 1.00 9.53 O ATOM 306 CB SER A 22 5.717 55.726 60.669 1.00 9.53 C ATOM 307 1HB SER A 22 5.913 56.409 59.842 1.00 9.53 H ATOM 308 2HB SER A 22 4.640 55.585 60.769 1.00 9.53 H ATOM 309 OG SER A 22 6.253 56.283 61.857 1.00 9.53 O ATOM 310 HG SER A 22 6.239 55.613 62.548 1.00 9.53 H ATOM 311 N THR A 23 5.132 52.954 58.850 1.00 35.95 N ATOM 312 H THR A 23 4.627 52.607 59.654 1.00 35.95 H ATOM 313 CA THR A 23 4.853 52.318 57.569 1.00 35.95 C ATOM 314 HA THR A 23 5.046 53.016 56.755 1.00 35.95 H ATOM 315 C THR A 23 3.385 51.935 57.564 1.00 35.95 C ATOM 316 O THR A 23 2.767 51.900 58.628 1.00 35.95 O ATOM 317 CB THR A 23 5.749 51.057 57.392 1.00 35.95 C ATOM 318 HB THR A 23 6.781 51.346 57.584 1.00 35.95 H ATOM 319 OG1 THR A 23 5.660 50.564 56.056 1.00 35.95 O ATOM 320 HG1 THR A 23 6.073 51.224 55.472 1.00 35.95 H ATOM 321 CG2 THR A 23 5.380 49.907 58.324 1.00 35.95 C ATOM 322 1HG2 THR A 23 6.063 49.077 58.153 1.00 35.95 H ATOM 323 2HG2 THR A 23 4.365 49.562 58.121 1.00 35.95 H ATOM 324 3HG2 THR A 23 5.462 50.224 59.364 1.00 35.95 H ATOM 325 N ILE A 24 2.859 51.631 56.385 1.00 2.11 N ATOM 326 H ILE A 24 3.404 51.792 55.555 1.00 2.11 H ATOM 327 CA ILE A 24 1.606 50.887 56.241 1.00 2.11 C ATOM 328 HA ILE A 24 1.374 50.493 57.231 1.00 2.11 H ATOM 329 C ILE A 24 1.742 49.633 55.353 1.00 2.11 C ATOM 330 O ILE A 24 1.107 48.631 55.683 1.00 2.11 O ATOM 331 CB ILE A 24 0.369 51.774 55.842 1.00 2.11 C ATOM 332 HB ILE A 24 -0.510 51.127 55.845 1.00 2.11 H ATOM 333 CG1 ILE A 24 0.502 52.381 54.431 1.00 2.11 C ATOM 334 1HG1 ILE A 24 1.345 53.073 54.424 1.00 2.11 H ATOM 335 2HG1 ILE A 24 0.712 51.577 53.731 1.00 2.11 H ATOM 336 CG2 ILE A 24 0.138 52.882 56.902 1.00 2.11 C ATOM 337 1HG2 ILE A 24 -0.826 53.364 56.744 1.00 2.11 H ATOM 338 2HG2 ILE A 24 0.930 53.630 56.853 1.00 2.11 H ATOM 339 3HG2 ILE A 24 0.138 52.439 57.901 1.00 2.11 H ATOM 340 CD1 ILE A 24 -0.736 53.121 53.904 1.00 2.11 C ATOM 341 1HD1 ILE A 24 -0.570 53.405 52.865 1.00 2.11 H ATOM 342 2HD1 ILE A 24 -0.917 54.023 54.489 1.00 2.11 H ATOM 343 3HD1 ILE A 24 -1.609 52.469 53.959 1.00 2.11 H ATOM 344 N PRO A 25 2.548 49.633 54.257 1.00 13.78 N ATOM 345 CA PRO A 25 2.558 48.301 53.633 1.00 13.78 C ATOM 346 HA PRO A 25 1.546 47.907 53.541 1.00 13.78 H ATOM 347 C PRO A 25 3.449 47.294 54.367 1.00 13.78 C ATOM 348 O PRO A 25 4.533 47.619 54.854 1.00 13.78 O ATOM 349 CB PRO A 25 3.107 48.587 52.235 1.00 13.78 C ATOM 350 1HB PRO A 25 3.611 47.711 51.827 1.00 13.78 H ATOM 351 2HB PRO A 25 2.299 48.908 51.578 1.00 13.78 H ATOM 352 CG PRO A 25 4.055 49.685 52.449 1.00 13.78 C ATOM 353 1HG PRO A 25 4.990 49.286 52.837 1.00 13.78 H ATOM 354 2HG PRO A 25 4.231 50.236 51.525 1.00 13.78 H ATOM 355 CD PRO A 25 3.404 50.563 53.485 1.00 13.78 C ATOM 356 1HD PRO A 25 4.163 51.022 54.116 1.00 13.78 H ATOM 357 2HD PRO A 25 2.795 51.324 52.999 1.00 13.78 H ATOM 358 N ASP A 26 3.010 46.048 54.402 1.00 29.27 N ATOM 359 H ASP A 26 2.096 45.809 54.031 1.00 29.27 H ATOM 360 CA ASP A 26 3.796 44.943 54.929 1.00 29.27 C ATOM 361 HA ASP A 26 4.854 45.089 54.712 1.00 29.27 H ATOM 362 C ASP A 26 3.245 43.766 54.127 1.00 29.27 C ATOM 363 O ASP A 26 2.168 43.906 53.544 1.00 29.27 O ATOM 364 CB ASP A 26 3.593 44.790 56.439 1.00 29.27 C ATOM 365 1HB ASP A 26 3.761 45.756 56.915 1.00 29.27 H ATOM 366 2HB ASP A 26 2.566 44.494 56.634 1.00 29.27 H ATOM 367 CG ASP A 26 4.545 43.782 57.049 1.00 29.27 C ATOM 368 OD1 ASP A 26 5.466 43.316 56.342 1.00 29.27 O ATOM 369 OD2 ASP A 26 4.439 43.463 58.249 1.00 29.27 O ATOM 370 N TYR A 27 3.992 42.681 53.991 1.00 22.29 N ATOM 371 H TYR A 27 4.797 42.566 54.602 1.00 22.29 H ATOM 372 CA TYR A 27 3.732 41.698 52.932 1.00 22.29 C ATOM 373 HA TYR A 27 2.690 41.816 52.648 1.00 22.29 H ATOM 374 C TYR A 27 3.937 40.178 53.098 1.00 22.29 C ATOM 375 O TYR A 27 3.374 39.436 52.296 1.00 22.29 O ATOM 376 CB TYR A 27 4.568 42.117 51.711 1.00 22.29 C ATOM 377 1HB TYR A 27 4.124 41.676 50.819 1.00 22.29 H ATOM 378 2HB TYR A 27 4.533 43.202 51.609 1.00 22.29 H ATOM 379 CG TYR A 27 6.013 41.666 51.795 1.00 22.29 C ATOM 380 CD1 TYR A 27 6.431 40.492 51.130 1.00 22.29 C ATOM 381 HD1 TYR A 27 5.732 39.954 50.502 1.00 22.29 H ATOM 382 CD2 TYR A 27 6.953 42.361 52.585 1.00 22.29 C ATOM 383 HD2 TYR A 27 6.668 43.277 53.085 1.00 22.29 H ATOM 384 CE1 TYR A 27 7.745 39.986 51.300 1.00 22.29 C ATOM 385 HE1 TYR A 27 8.041 39.076 50.801 1.00 22.29 H ATOM 386 CE2 TYR A 27 8.264 41.846 52.764 1.00 22.29 C ATOM 387 HE2 TYR A 27 8.973 42.356 53.393 1.00 22.29 H ATOM 388 CZ TYR A 27 8.642 40.660 52.131 1.00 22.29 C ATOM 389 OH TYR A 27 9.894 40.139 52.331 1.00 22.29 O ATOM 390 HH TYR A 27 10.028 39.315 51.861 1.00 22.29 H ATOM 391 N PRO A 28 4.785 39.686 54.031 1.00 4.94 N ATOM 392 CA PRO A 28 5.193 38.297 53.755 1.00 4.94 C ATOM 393 HA PRO A 28 5.438 38.184 52.699 1.00 4.94 H ATOM 394 C PRO A 28 4.214 37.187 54.137 1.00 4.94 C ATOM 395 O PRO A 28 4.419 36.032 53.775 1.00 4.94 O ATOM 396 CB PRO A 28 6.477 38.163 54.577 1.00 4.94 C ATOM 397 1HB PRO A 28 6.652 37.126 54.864 1.00 4.94 H ATOM 398 2HB PRO A 28 7.329 38.553 54.021 1.00 4.94 H ATOM 399 CG PRO A 28 6.220 39.001 55.751 1.00 4.94 C ATOM 400 1HG PRO A 28 5.551 38.484 56.441 1.00 4.94 H ATOM 401 2HG PRO A 28 7.151 39.268 56.250 1.00 4.94 H ATOM 402 CD PRO A 28 5.552 40.220 55.173 1.00 4.94 C ATOM 403 1HD PRO A 28 4.893 40.683 55.907 1.00 4.94 H ATOM 404 2HD PRO A 28 6.300 40.931 54.823 1.00 4.94 H ATOM 405 N CYS A 29 3.172 37.519 54.882 1.00 6.22 N ATOM 406 H CYS A 29 3.040 38.482 55.169 1.00 6.22 H ATOM 407 CA CYS A 29 2.160 36.566 55.314 1.00 6.22 C ATOM 408 HA CYS A 29 2.243 35.625 54.770 1.00 6.22 H ATOM 409 C CYS A 29 0.829 37.249 55.008 1.00 6.22 C ATOM 410 O CYS A 29 0.824 38.442 54.699 1.00 6.22 O ATOM 411 CB CYS A 29 2.300 36.323 56.814 1.00 6.22 C ATOM 412 1HB CYS A 29 2.119 37.270 57.316 1.00 6.22 H ATOM 413 2HB CYS A 29 1.530 35.620 57.120 1.00 6.22 H ATOM 414 SG CYS A 29 3.909 35.696 57.392 1.00 6.22 S ATOM 415 N CYS A 30 -0.295 36.555 55.126 1.00 -7.17 N ATOM 416 H CYS A 30 -0.280 35.597 55.456 1.00 -7.17 H ATOM 417 CA CYS A 30 -1.599 37.156 54.851 1.00 -7.17 C ATOM 418 HA CYS A 30 -1.513 38.239 54.863 1.00 -7.17 H ATOM 419 C CYS A 30 -2.564 36.753 55.954 1.00 -7.17 C ATOM 420 O CYS A 30 -2.553 35.620 56.414 1.00 -7.17 O ATOM 421 CB CYS A 30 -2.113 36.721 53.478 1.00 -7.17 C ATOM 422 1HB CYS A 30 -1.341 36.932 52.737 1.00 -7.17 H ATOM 423 2HB CYS A 30 -2.299 35.646 53.496 1.00 -7.17 H ATOM 424 SG CYS A 30 -3.633 37.576 52.988 1.00 -7.17 S ATOM 425 HG CYS A 30 -3.686 37.104 51.737 1.00 -7.17 H ATOM 426 N SER A 31 -3.343 37.712 56.422 1.00 8.56 N ATOM 427 H SER A 31 -3.345 38.615 55.956 1.00 8.56 H ATOM 428 CA SER A 31 -4.192 37.519 57.587 1.00 8.56 C ATOM 429 HA SER A 31 -3.649 36.936 58.327 1.00 8.56 H ATOM 430 C SER A 31 -5.484 36.794 57.287 1.00 8.56 C ATOM 431 O SER A 31 -5.935 36.685 56.149 1.00 8.56 O ATOM 432 CB SER A 31 -4.559 38.874 58.195 1.00 8.56 C ATOM 433 1HB SER A 31 -5.176 38.724 59.080 1.00 8.56 H ATOM 434 2HB SER A 31 -3.657 39.388 58.503 1.00 8.56 H ATOM 435 OG SER A 31 -5.255 39.676 57.259 1.00 8.56 O ATOM 436 HG SER A 31 -4.607 40.002 56.612 1.00 8.56 H ATOM 437 N LYS A 32 -6.169 36.468 58.374 1.00 -7.09 N ATOM 438 H LYS A 32 -5.727 36.609 59.271 1.00 -7.09 H ATOM 439 CA LYS A 32 -7.540 35.949 58.350 1.00 -7.09 C ATOM 440 HA LYS A 32 -7.581 35.076 57.696 1.00 -7.09 H ATOM 441 C LYS A 32 -8.549 36.974 57.829 1.00 -7.09 C ATOM 442 O LYS A 32 -9.727 36.681 57.707 1.00 -7.09 O ATOM 443 CB LYS A 32 -7.963 35.542 59.769 1.00 -7.09 C ATOM 444 1HB LYS A 32 -8.009 36.437 60.387 1.00 -7.09 H ATOM 445 2HB LYS A 32 -8.966 35.118 59.719 1.00 -7.09 H ATOM 446 CG LYS A 32 -7.049 34.527 60.457 1.00 -7.09 C ATOM 447 1HG LYS A 32 -7.668 33.755 60.914 1.00 -7.09 H ATOM 448 2HG LYS A 32 -6.402 34.058 59.715 1.00 -7.09 H ATOM 449 CD LYS A 32 -6.194 35.176 61.548 1.00 -7.09 C ATOM 450 1HD LYS A 32 -5.614 35.989 61.116 1.00 -7.09 H ATOM 451 2HD LYS A 32 -6.845 35.576 62.325 1.00 -7.09 H ATOM 452 CE LYS A 32 -5.241 34.160 62.159 1.00 -7.09 C ATOM 453 1HE LYS A 32 -5.816 33.335 62.584 1.00 -7.09 H ATOM 454 2HE LYS A 32 -4.598 33.756 61.372 1.00 -7.09 H ATOM 455 NZ LYS A 32 -4.364 34.744 63.222 1.00 -7.09 N ATOM 456 1HZ LYS A 32 -3.740 34.012 63.571 1.00 -7.09 H ATOM 457 2HZ LYS A 32 -4.901 35.121 63.983 1.00 -7.09 H ATOM 458 3HZ LYS A 32 -3.755 35.445 62.823 1.00 -7.09 H ATOM 459 N TYR A 33 -8.076 38.182 57.558 1.00-13.34 N ATOM 460 H TYR A 33 -7.090 38.351 57.659 1.00-13.34 H ATOM 461 CA TYR A 33 -8.909 39.303 57.141 1.00-13.34 C ATOM 462 HA TYR A 33 -9.958 39.005 57.168 1.00-13.34 H ATOM 463 C TYR A 33 -8.553 39.741 55.720 1.00-13.34 C ATOM 464 O TYR A 33 -9.047 40.746 55.228 1.00-13.34 O ATOM 465 CB TYR A 33 -8.694 40.455 58.126 1.00-13.34 C ATOM 466 1HB TYR A 33 -7.799 40.994 57.823 1.00-13.34 H ATOM 467 2HB TYR A 33 -9.543 41.137 58.081 1.00-13.34 H ATOM 468 CG TYR A 33 -8.480 39.977 59.551 1.00-13.34 C ATOM 469 CD1 TYR A 33 -7.236 40.171 60.188 1.00-13.34 C ATOM 470 HD1 TYR A 33 -6.457 40.728 59.683 1.00-13.34 H ATOM 471 CD2 TYR A 33 -9.492 39.285 60.252 1.00-13.34 C ATOM 472 HD2 TYR A 33 -10.462 39.141 59.795 1.00-13.34 H ATOM 473 CE1 TYR A 33 -6.983 39.631 61.476 1.00-13.34 C ATOM 474 HE1 TYR A 33 -6.022 39.776 61.941 1.00-13.34 H ATOM 475 CE2 TYR A 33 -9.241 38.746 61.545 1.00-13.34 C ATOM 476 HE2 TYR A 33 -10.015 38.205 62.069 1.00-13.34 H ATOM 477 CZ TYR A 33 -7.985 38.914 62.134 1.00-13.34 C ATOM 478 OH TYR A 33 -7.725 38.366 63.365 1.00-13.34 O ATOM 479 HH TYR A 33 -6.855 38.594 63.693 1.00-13.34 H ATOM 480 N GLY A 34 -7.659 39.001 55.074 1.00-17.24 N ATOM 481 H GLY A 34 -7.239 38.194 55.523 1.00-17.24 H ATOM 482 CA GLY A 34 -7.274 39.285 53.697 1.00-17.24 C ATOM 483 1HA GLY A 34 -6.935 38.353 53.245 1.00-17.24 H ATOM 484 2HA GLY A 34 -8.153 39.624 53.149 1.00-17.24 H ATOM 485 C GLY A 34 -6.180 40.318 53.501 1.00-17.24 C ATOM 486 O GLY A 34 -5.676 40.491 52.396 1.00-17.24 O ATOM 487 N PHE A 35 -5.790 41.009 54.560 1.00-24.12 N ATOM 488 H PHE A 35 -6.246 40.857 55.443 1.00-24.12 H ATOM 489 CA PHE A 35 -4.706 41.986 54.471 1.00-24.12 C ATOM 490 HA PHE A 35 -4.777 42.519 53.523 1.00-24.12 H ATOM 491 C PHE A 35 -3.368 41.263 54.553 1.00-24.12 C ATOM 492 O PHE A 35 -3.238 40.328 55.348 1.00-24.12 O ATOM 493 CB PHE A 35 -4.801 42.982 55.628 1.00-24.12 C ATOM 494 1HB PHE A 35 -4.629 42.449 56.562 1.00-24.12 H ATOM 495 2HB PHE A 35 -4.017 43.731 55.513 1.00-24.12 H ATOM 496 CG PHE A 35 -6.134 43.670 55.720 1.00-24.12 C ATOM 497 CD1 PHE A 35 -6.942 43.489 56.855 1.00-24.12 C ATOM 498 HD1 PHE A 35 -6.588 42.884 57.677 1.00-24.12 H ATOM 499 CD2 PHE A 35 -6.597 44.487 54.672 1.00-24.12 C ATOM 500 HD2 PHE A 35 -5.980 44.648 53.799 1.00-24.12 H ATOM 501 CE1 PHE A 35 -8.221 44.092 56.940 1.00-24.12 C ATOM 502 HE1 PHE A 35 -8.838 43.935 57.813 1.00-24.12 H ATOM 503 CE2 PHE A 35 -7.874 45.098 54.740 1.00-24.12 C ATOM 504 HE2 PHE A 35 -8.225 45.713 53.924 1.00-24.12 H ATOM 505 CZ PHE A 35 -8.691 44.893 55.876 1.00-24.12 C ATOM 506 HZ PHE A 35 -9.670 45.346 55.929 1.00-24.12 H ATOM 507 N CYS A 36 -2.375 41.692 53.789 1.00 -1.23 N ATOM 508 H CYS A 36 -2.528 42.439 53.135 1.00 -1.23 H ATOM 509 CA CYS A 36 -1.026 41.143 53.911 1.00 -1.23 C ATOM 510 HA CYS A 36 -1.087 40.075 54.096 1.00 -1.23 H ATOM 511 C CYS A 36 -0.310 41.818 55.081 1.00 -1.23 C ATOM 512 O CYS A 36 -0.687 42.919 55.475 1.00 -1.23 O ATOM 513 CB CYS A 36 -0.242 41.379 52.621 1.00 -1.23 C ATOM 514 1HB CYS A 36 -0.088 42.452 52.494 1.00 -1.23 H ATOM 515 2HB CYS A 36 0.733 40.899 52.716 1.00 -1.23 H ATOM 516 SG CYS A 36 -1.086 40.720 51.162 1.00 -1.23 S ATOM 517 HG CYS A 36 -0.079 40.918 50.304 1.00 -1.23 H ATOM 518 N GLY A 37 0.700 41.170 55.639 1.00 -0.73 N ATOM 519 H GLY A 37 0.966 40.246 55.302 1.00 -0.73 H ATOM 520 CA GLY A 37 1.428 41.736 56.762 1.00 -0.73 C ATOM 521 1HA GLY A 37 2.020 42.568 56.412 1.00 -0.73 H ATOM 522 2HA GLY A 37 0.719 42.093 57.508 1.00 -0.73 H ATOM 523 C GLY A 37 2.334 40.711 57.401 1.00 -0.73 C ATOM 524 O GLY A 37 2.653 39.713 56.761 1.00 -0.73 O ATOM 525 N SER A 38 2.734 40.910 58.648 1.00 17.47 N ATOM 526 H SER A 38 2.462 41.751 59.144 1.00 17.47 H ATOM 527 CA SER A 38 3.531 39.924 59.374 1.00 17.47 C ATOM 528 HA SER A 38 3.312 38.932 58.984 1.00 17.47 H ATOM 529 C SER A 38 3.147 39.965 60.850 1.00 17.47 C ATOM 530 O SER A 38 2.543 40.931 61.303 1.00 17.47 O ATOM 531 CB SER A 38 5.024 40.207 59.202 1.00 17.47 C ATOM 532 1HB SER A 38 5.598 39.420 59.691 1.00 17.47 H ATOM 533 2HB SER A 38 5.261 40.213 58.141 1.00 17.47 H ATOM 534 OG SER A 38 5.382 41.459 59.756 1.00 17.47 O ATOM 535 HG SER A 38 4.903 42.160 59.265 1.00 17.47 H ATOM 536 N GLY A 39 3.479 38.923 61.600 1.00 -4.47 N ATOM 537 H GLY A 39 3.962 38.140 61.186 1.00 -4.47 H ATOM 538 CA GLY A 39 3.141 38.864 63.017 1.00 -4.47 C ATOM 539 1HA GLY A 39 3.990 38.451 63.563 1.00 -4.47 H ATOM 540 2HA GLY A 39 2.954 39.870 63.392 1.00 -4.47 H ATOM 541 C GLY A 39 1.927 37.993 63.293 1.00 -4.47 C ATOM 542 O GLY A 39 1.407 37.405 62.345 1.00 -4.47 O ATOM 543 N PRO A 40 1.443 37.860 64.543 1.00 -6.14 N ATOM 544 CA PRO A 40 0.377 36.902 64.900 1.00 -6.14 C ATOM 545 HA PRO A 40 0.725 35.888 64.699 1.00 -6.14 H ATOM 546 C PRO A 40 -1.005 37.058 64.264 1.00 -6.14 C ATOM 547 O PRO A 40 -1.858 36.195 64.416 1.00 -6.14 O ATOM 548 CB PRO A 40 0.235 37.096 66.413 1.00 -6.14 C ATOM 549 1HB PRO A 40 -0.566 37.805 66.626 1.00 -6.14 H ATOM 550 2HB PRO A 40 0.040 36.143 66.906 1.00 -6.14 H ATOM 551 CG PRO A 40 1.534 37.642 66.848 1.00 -6.14 C ATOM 552 1HG PRO A 40 1.439 38.173 67.795 1.00 -6.14 H ATOM 553 2HG PRO A 40 2.265 36.837 66.930 1.00 -6.14 H ATOM 554 CD PRO A 40 1.919 38.575 65.743 1.00 -6.14 C ATOM 555 1HD PRO A 40 1.403 39.531 65.847 1.00 -6.14 H ATOM 556 2HD PRO A 40 3.000 38.715 65.733 1.00 -6.14 H ATOM 557 N GLN A 41 -1.273 38.150 63.563 1.00 -3.79 N ATOM 558 H GLN A 41 -0.603 38.900 63.507 1.00 -3.79 H ATOM 559 CA GLN A 41 -2.530 38.248 62.822 1.00 -3.79 C ATOM 560 HA GLN A 41 -3.324 37.742 63.369 1.00 -3.79 H ATOM 561 C GLN A 41 -2.402 37.601 61.441 1.00 -3.79 C ATOM 562 O GLN A 41 -3.419 37.342 60.798 1.00 -3.79 O ATOM 563 CB GLN A 41 -2.929 39.711 62.636 1.00 -3.79 C ATOM 564 1HB GLN A 41 -2.113 40.216 62.139 1.00 -3.79 H ATOM 565 2HB GLN A 41 -3.803 39.754 61.989 1.00 -3.79 H ATOM 566 CG GLN A 41 -3.241 40.470 63.916 1.00 -3.79 C ATOM 567 1HG GLN A 41 -4.052 39.970 64.443 1.00 -3.79 H ATOM 568 2HG GLN A 41 -2.359 40.483 64.556 1.00 -3.79 H ATOM 569 CD GLN A 41 -3.646 41.901 63.624 1.00 -3.79 C ATOM 570 OE1 GLN A 41 -3.054 42.564 62.793 1.00 -3.79 O ATOM 571 NE2 GLN A 41 -4.665 42.378 64.287 1.00 -3.79 N ATOM 572 1HE2 GLN A 41 -4.954 43.322 64.088 1.00 -3.79 H ATOM 573 2HE2 GLN A 41 -5.135 41.824 64.979 1.00 -3.79 H ATOM 574 N TYR A 42 -1.167 37.412 60.987 1.00 29.23 N ATOM 575 H TYR A 42 -0.389 37.543 61.619 1.00 29.23 H ATOM 576 CA TYR A 42 -0.859 37.085 59.591 1.00 29.23 C ATOM 577 HA TYR A 42 -1.785 36.999 59.033 1.00 29.23 H ATOM 578 C TYR A 42 -0.063 35.795 59.388 1.00 29.23 C ATOM 579 O TYR A 42 -0.327 35.043 58.464 1.00 29.23 O ATOM 580 CB TYR A 42 -0.017 38.212 58.977 1.00 29.23 C ATOM 581 1HB TYR A 42 0.956 38.218 59.464 1.00 29.23 H ATOM 582 2HB TYR A 42 0.132 37.990 57.922 1.00 29.23 H ATOM 583 CG TYR A 42 -0.595 39.604 59.088 1.00 29.23 C ATOM 584 CD1 TYR A 42 -0.346 40.402 60.221 1.00 29.23 C ATOM 585 HD1 TYR A 42 0.267 40.020 61.022 1.00 29.23 H ATOM 586 CD2 TYR A 42 -1.356 40.154 58.044 1.00 29.23 C ATOM 587 HD2 TYR A 42 -1.507 39.594 57.134 1.00 29.23 H ATOM 588 CE1 TYR A 42 -0.900 41.705 60.335 1.00 29.23 C ATOM 589 HE1 TYR A 42 -0.708 42.304 61.214 1.00 29.23 H ATOM 590 CE2 TYR A 42 -1.925 41.454 58.162 1.00 29.23 C ATOM 591 HE2 TYR A 42 -2.511 41.871 57.359 1.00 29.23 H ATOM 592 CZ TYR A 42 -1.710 42.204 59.316 1.00 29.23 C ATOM 593 OH TYR A 42 -2.304 43.431 59.458 1.00 29.23 O ATOM 594 HH TYR A 42 -2.121 43.830 60.312 1.00 29.23 H ATOM 595 N CYS A 43 0.945 35.562 60.219 1.00 -5.46 N ATOM 596 H CYS A 43 1.103 36.192 60.996 1.00 -5.46 H ATOM 597 CA CYS A 43 1.862 34.427 60.060 1.00 -5.46 C ATOM 598 HA CYS A 43 1.780 34.028 59.049 1.00 -5.46 H ATOM 599 C CYS A 43 1.498 33.331 61.057 1.00 -5.46 C ATOM 600 O CYS A 43 2.342 32.552 61.496 1.00 -5.46 O ATOM 601 CB CYS A 43 3.310 34.860 60.318 1.00 -5.46 C ATOM 602 1HB CYS A 43 3.391 35.124 61.372 1.00 -5.46 H ATOM 603 2HB CYS A 43 3.957 33.998 60.147 1.00 -5.46 H ATOM 604 SG CYS A 43 3.947 36.264 59.342 1.00 -5.46 S ATOM 605 N GLY A 44 0.247 33.366 61.479 1.00 9.88 N ATOM 606 H GLY A 44 -0.408 34.037 61.088 1.00 9.88 H ATOM 607 CA GLY A 44 -0.294 32.511 62.517 1.00 9.88 C ATOM 608 1HA GLY A 44 -0.392 31.482 62.174 1.00 9.88 H ATOM 609 2HA GLY A 44 0.292 32.576 63.432 1.00 9.88 H ATOM 610 C GLY A 44 -1.645 33.152 62.704 1.00 9.88 C ATOM 611 O GLY A 44 -1.868 34.162 61.990 1.00 9.88 O ATOM 612 OXT GLY A 44 -2.473 32.709 63.521 1.00 9.88 O TER 613 GLY A 44 CONECT 414 411 604 CONECT 604 414 601 END
SEQUENCE	KGGPCAKKPCCGPLGHYKVDCSTIPDYPCCSKYGFCGSGPQYCG
HELICITY	0.00	INSTAB. INDEX	9.60	FLEXIBILITY	15.92
a HYD. MOM.	48.54	b HYD. MOM.	15.81	c HYD. MOM	3.42
a MEAN HYD. MOM.	1.10	b MEAN HYD. MOM.	0.36	c MEAN HYD. MOM.	0.08
CHARGE pH5	4.04	CHARGE pH7	2.73	CHARGE pH9	-4.28
Δ CHARGE pH5-pH9	8.32	ISOELECTRIC POINT	8.47	BOMAN INDEX	0.73
ΔG	29	CPP	-0,46	MLP	-16,17
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	Cycadophyta	CLASS	Cycadopsida	ORDER	Cycadales
FAMILY	Cycadaceae	GENUS	Cycas	SPECIES	Cycas revoluta
DATE	2008
TITLE PAPER	Purification, characterization, and sequencing of antimicrobial peptides, Cy-AMP1, Cy-AMP2, and Cy-AMP3, from the Cycad (Cycas revoluta) seeds