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ID	2511	NAME	Tachystatin-A1   Blast NCBI-PROT
LENGTH	44	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\pdb_HM_final\YSRCQLQGFNCVVRSYGLPTIPCCRGLTCRSYFPGSTYGRCQRF.pdb REMARK YASARA Written on: Wed May 14 20:55:40 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 686 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (TACHYSTATIN A); COMPND 3 CHAIN: A; SEQRES 1 A 44 TYR SER ARG CYS GLN LEU GLN GLY PHE ASN CYS VAL VAL SEQRES 2 A 44 ARG SER TYR GLY LEU PRO THR ILE PRO CYS CYS ARG GLY SEQRES 3 A 44 LEU THR CYS ARG SER TYR PHE PRO GLY SER THR TYR GLY SEQRES 4 A 44 ARG CYS GLN ARG PHE 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 4 CYS A 24 2.03 SSBOND 3 CYS A 11 CYS A 29 2.03 SSBOND 5 CYS A 23 CYS A 41 2.02 ATOM 1 N TYR A 1 -34.893 4.757 -11.513 1.00-19.42 N ATOM 2 1H TYR A 1 -35.072 3.801 -11.192 1.00-19.42 H ATOM 3 2H TYR A 1 -33.998 5.023 -11.102 1.00-19.42 H ATOM 4 CA TYR A 1 -34.781 4.704 -12.991 1.00-19.42 C ATOM 5 HA TYR A 1 -34.550 5.702 -13.375 1.00-19.42 H ATOM 6 C TYR A 1 -36.054 4.250 -13.690 1.00-19.42 C ATOM 7 O TYR A 1 -36.831 3.482 -13.155 1.00-19.42 O ATOM 8 CB TYR A 1 -33.631 3.748 -13.353 1.00-19.42 C ATOM 9 1HB TYR A 1 -33.489 3.756 -14.436 1.00-19.42 H ATOM 10 2HB TYR A 1 -32.704 4.118 -12.910 1.00-19.42 H ATOM 11 CG TYR A 1 -33.862 2.315 -12.909 1.00-19.42 C ATOM 12 CD1 TYR A 1 -34.530 1.426 -13.757 1.00-19.42 C ATOM 13 HD1 TYR A 1 -34.857 1.745 -14.744 1.00-19.42 H ATOM 14 CD2 TYR A 1 -33.416 1.875 -11.657 1.00-19.42 C ATOM 15 HD2 TYR A 1 -32.865 2.545 -11.000 1.00-19.42 H ATOM 16 CE1 TYR A 1 -34.786 0.119 -13.340 1.00-19.42 C ATOM 17 HE1 TYR A 1 -35.303 -0.579 -13.992 1.00-19.42 H ATOM 18 CE2 TYR A 1 -33.673 0.565 -11.245 1.00-19.42 C ATOM 19 HE2 TYR A 1 -33.330 0.227 -10.271 1.00-19.42 H ATOM 20 CZ TYR A 1 -34.362 -0.307 -12.085 1.00-19.42 C ATOM 21 OH TYR A 1 -34.623 -1.577 -11.686 1.00-19.42 O ATOM 22 HH TYR A 1 -34.148 -1.745 -10.856 1.00-19.42 H ATOM 23 N SER A 2 -36.284 4.771 -14.907 1.00 8.95 N ATOM 24 H SER A 2 -35.607 5.427 -15.261 1.00 8.95 H ATOM 25 CA SER A 2 -37.412 4.405 -15.776 1.00 8.95 C ATOM 26 HA SER A 2 -37.432 5.106 -16.610 1.00 8.95 H ATOM 27 C SER A 2 -38.778 4.457 -15.089 1.00 8.95 C ATOM 28 O SER A 2 -39.609 3.565 -15.252 1.00 8.95 O ATOM 29 CB SER A 2 -37.175 3.006 -16.350 1.00 8.95 C ATOM 30 1HB SER A 2 -37.259 2.267 -15.552 1.00 8.95 H ATOM 31 2HB SER A 2 -37.920 2.796 -17.118 1.00 8.95 H ATOM 32 OG SER A 2 -35.873 2.943 -16.909 1.00 8.95 O ATOM 33 HG SER A 2 -35.791 2.123 -17.404 1.00 8.95 H ATOM 34 N ARG A 3 -38.990 5.471 -14.260 1.00 8.77 N ATOM 35 H ARG A 3 -38.290 6.189 -14.163 1.00 8.77 H ATOM 36 CA ARG A 3 -40.239 5.598 -13.512 1.00 8.77 C ATOM 37 HA ARG A 3 -40.711 4.620 -13.430 1.00 8.77 H ATOM 38 C ARG A 3 -41.169 6.515 -14.280 1.00 8.77 C ATOM 39 O ARG A 3 -40.714 7.407 -14.986 1.00 8.77 O ATOM 40 CB ARG A 3 -39.983 6.157 -12.107 1.00 8.77 C ATOM 41 1HB ARG A 3 -38.909 6.236 -11.941 1.00 8.77 H ATOM 42 2HB ARG A 3 -40.406 7.161 -12.058 1.00 8.77 H ATOM 43 CG ARG A 3 -40.600 5.317 -10.982 1.00 8.77 C ATOM 44 1HG ARG A 3 -40.881 5.986 -10.168 1.00 8.77 H ATOM 45 2HG ARG A 3 -41.505 4.836 -11.353 1.00 8.77 H ATOM 46 CD ARG A 3 -39.647 4.249 -10.418 1.00 8.77 C ATOM 47 1HD ARG A 3 -38.803 4.760 -9.953 1.00 8.77 H ATOM 48 2HD ARG A 3 -40.168 3.686 -9.642 1.00 8.77 H ATOM 49 NE ARG A 3 -39.120 3.318 -11.429 1.00 8.77 N ATOM 50 HE ARG A 3 -38.226 3.561 -11.850 1.00 8.77 H ATOM 51 CZ ARG A 3 -39.676 2.198 -11.867 1.00 8.77 C ATOM 52 NH1 ARG A 3 -39.035 1.516 -12.770 1.00 8.77 N ATOM 53 1HH1 ARG A 3 -38.148 1.873 -13.114 1.00 8.77 H ATOM 54 2HH1 ARG A 3 -39.416 0.667 -13.143 1.00 8.77 H ATOM 55 NH2 ARG A 3 -40.829 1.738 -11.451 1.00 8.77 N ATOM 56 1HH2 ARG A 3 -41.342 2.247 -10.753 1.00 8.77 H ATOM 57 2HH2 ARG A 3 -41.200 0.887 -11.834 1.00 8.77 H ATOM 58 N CYS A 4 -42.461 6.301 -14.110 1.00 23.75 N ATOM 59 H CYS A 4 -42.788 5.575 -13.490 1.00 23.75 H ATOM 60 CA CYS A 4 -43.495 7.107 -14.734 1.00 23.75 C ATOM 61 HA CYS A 4 -43.157 8.132 -14.874 1.00 23.75 H ATOM 62 C CYS A 4 -44.603 7.079 -13.689 1.00 23.75 C ATOM 63 O CYS A 4 -44.579 6.205 -12.815 1.00 23.75 O ATOM 64 CB CYS A 4 -43.892 6.504 -16.086 1.00 23.75 C ATOM 65 1HB CYS A 4 -44.725 7.072 -16.494 1.00 23.75 H ATOM 66 2HB CYS A 4 -43.043 6.636 -16.757 1.00 23.75 H ATOM 67 SG CYS A 4 -44.299 4.721 -16.078 1.00 23.75 S ATOM 68 N GLN A 5 -45.503 8.049 -13.720 1.00 18.36 N ATOM 69 H GLN A 5 -45.453 8.749 -14.456 1.00 18.36 H ATOM 70 CA GLN A 5 -46.557 8.145 -12.712 1.00 18.36 C ATOM 71 HA GLN A 5 -46.110 7.995 -11.729 1.00 18.36 H ATOM 72 C GLN A 5 -47.586 7.051 -12.971 1.00 18.36 C ATOM 73 O GLN A 5 -48.053 6.883 -14.103 1.00 18.36 O ATOM 74 CB GLN A 5 -47.262 9.510 -12.744 1.00 18.36 C ATOM 75 1HB GLN A 5 -47.828 9.570 -13.665 1.00 18.36 H ATOM 76 2HB GLN A 5 -47.981 9.556 -11.929 1.00 18.36 H ATOM 77 CG GLN A 5 -46.368 10.749 -12.684 1.00 18.36 C ATOM 78 1HG GLN A 5 -45.590 10.676 -13.437 1.00 18.36 H ATOM 79 2HG GLN A 5 -46.981 11.615 -12.931 1.00 18.36 H ATOM 80 CD GLN A 5 -45.715 11.017 -11.342 1.00 18.36 C ATOM 81 OE1 GLN A 5 -45.692 10.193 -10.439 1.00 18.36 O ATOM 82 NE2 GLN A 5 -45.144 12.183 -11.215 1.00 18.36 N ATOM 83 1HE2 GLN A 5 -44.726 12.416 -10.334 1.00 18.36 H ATOM 84 2HE2 GLN A 5 -45.146 12.819 -11.998 1.00 18.36 H ATOM 85 N LEU A 6 -47.923 6.310 -11.927 1.00 -5.82 N ATOM 86 H LEU A 6 -47.491 6.500 -11.036 1.00 -5.82 H ATOM 87 CA LEU A 6 -48.922 5.247 -12.001 1.00 -5.82 C ATOM 88 HA LEU A 6 -48.850 4.742 -12.964 1.00 -5.82 H ATOM 89 C LEU A 6 -50.317 5.853 -11.858 1.00 -5.82 C ATOM 90 O LEU A 6 -50.475 7.062 -11.704 1.00 -5.82 O ATOM 91 CB LEU A 6 -48.687 4.229 -10.876 1.00 -5.82 C ATOM 92 1HB LEU A 6 -48.855 4.737 -9.929 1.00 -5.82 H ATOM 93 2HB LEU A 6 -49.440 3.447 -10.966 1.00 -5.82 H ATOM 94 CG LEU A 6 -47.319 3.533 -10.791 1.00 -5.82 C ATOM 95 HG LEU A 6 -46.553 4.285 -10.609 1.00 -5.82 H ATOM 96 CD1 LEU A 6 -47.323 2.555 -9.620 1.00 -5.82 C ATOM 97 1HD1 LEU A 6 -46.330 2.123 -9.498 1.00 -5.82 H ATOM 98 2HD1 LEU A 6 -48.044 1.754 -9.794 1.00 -5.82 H ATOM 99 3HD1 LEU A 6 -47.590 3.076 -8.701 1.00 -5.82 H ATOM 100 CD2 LEU A 6 -46.956 2.774 -12.066 1.00 -5.82 C ATOM 101 1HD2 LEU A 6 -46.006 2.259 -11.929 1.00 -5.82 H ATOM 102 2HD2 LEU A 6 -46.842 3.478 -12.889 1.00 -5.82 H ATOM 103 3HD2 LEU A 6 -47.729 2.046 -12.312 1.00 -5.82 H ATOM 104 N GLN A 7 -51.350 5.023 -11.857 1.00 5.32 N ATOM 105 H GLN A 7 -51.208 4.034 -11.966 1.00 5.32 H ATOM 106 CA GLN A 7 -52.685 5.541 -11.586 1.00 5.32 C ATOM 107 HA GLN A 7 -52.869 6.407 -12.221 1.00 5.32 H ATOM 108 C GLN A 7 -52.710 5.976 -10.124 1.00 5.32 C ATOM 109 O GLN A 7 -52.130 5.313 -9.269 1.00 5.32 O ATOM 110 CB GLN A 7 -53.775 4.498 -11.823 1.00 5.32 C ATOM 111 1HB GLN A 7 -53.599 3.638 -11.177 1.00 5.32 H ATOM 112 2HB GLN A 7 -54.728 4.948 -11.543 1.00 5.32 H ATOM 113 CG GLN A 7 -53.879 4.021 -13.258 1.00 5.32 C ATOM 114 1HG GLN A 7 -53.850 4.885 -13.920 1.00 5.32 H ATOM 115 2HG GLN A 7 -53.038 3.369 -13.490 1.00 5.32 H ATOM 116 CD GLN A 7 -55.175 3.288 -13.495 1.00 5.32 C ATOM 117 OE1 GLN A 7 -56.223 3.904 -13.600 1.00 5.32 O ATOM 118 NE2 GLN A 7 -55.127 1.986 -13.582 1.00 5.32 N ATOM 119 1HE2 GLN A 7 -55.991 1.487 -13.720 1.00 5.32 H ATOM 120 2HE2 GLN A 7 -54.253 1.497 -13.501 1.00 5.32 H ATOM 121 N GLY A 8 -53.345 7.104 -9.848 1.00-10.84 N ATOM 122 H GLY A 8 -53.773 7.634 -10.605 1.00-10.84 H ATOM 123 CA GLY A 8 -53.412 7.639 -8.498 1.00-10.84 C ATOM 124 1HA GLY A 8 -54.336 8.204 -8.380 1.00-10.84 H ATOM 125 2HA GLY A 8 -53.415 6.813 -7.787 1.00-10.84 H ATOM 126 C GLY A 8 -52.245 8.548 -8.167 1.00-10.84 C ATOM 127 O GLY A 8 -52.388 9.457 -7.355 1.00-10.84 O ATOM 128 N PHE A 9 -51.105 8.332 -8.808 1.00 19.25 N ATOM 129 H PHE A 9 -51.046 7.593 -9.496 1.00 19.25 H ATOM 130 CA PHE A 9 -49.923 9.159 -8.572 1.00 19.25 C ATOM 131 HA PHE A 9 -49.739 9.258 -7.502 1.00 19.25 H ATOM 132 C PHE A 9 -50.220 10.534 -9.151 1.00 19.25 C ATOM 133 O PHE A 9 -51.040 10.680 -10.069 1.00 19.25 O ATOM 134 CB PHE A 9 -48.676 8.601 -9.262 1.00 19.25 C ATOM 135 1HB PHE A 9 -48.933 8.316 -10.274 1.00 19.25 H ATOM 136 2HB PHE A 9 -47.940 9.401 -9.322 1.00 19.25 H ATOM 137 CG PHE A 9 -48.011 7.435 -8.559 1.00 19.25 C ATOM 138 CD1 PHE A 9 -48.720 6.491 -7.781 1.00 19.25 C ATOM 139 HD1 PHE A 9 -49.789 6.558 -7.662 1.00 19.25 H ATOM 140 CD2 PHE A 9 -46.618 7.280 -8.697 1.00 19.25 C ATOM 141 HD2 PHE A 9 -46.055 7.987 -9.290 1.00 19.25 H ATOM 142 CE1 PHE A 9 -48.042 5.431 -7.131 1.00 19.25 C ATOM 143 HE1 PHE A 9 -48.596 4.724 -6.531 1.00 19.25 H ATOM 144 CE2 PHE A 9 -45.932 6.220 -8.061 1.00 19.25 C ATOM 145 HE2 PHE A 9 -44.862 6.122 -8.178 1.00 19.25 H ATOM 146 CZ PHE A 9 -46.644 5.299 -7.267 1.00 19.25 C ATOM 147 HZ PHE A 9 -46.123 4.496 -6.766 1.00 19.25 H ATOM 148 N ASN A 10 -49.567 11.548 -8.608 1.00 0.62 N ATOM 149 H ASN A 10 -48.862 11.374 -7.909 1.00 0.62 H ATOM 150 CA ASN A 10 -49.861 12.918 -8.998 1.00 0.62 C ATOM 151 HA ASN A 10 -50.939 13.042 -8.986 1.00 0.62 H ATOM 152 C ASN A 10 -49.376 13.261 -10.397 1.00 0.62 C ATOM 153 O ASN A 10 -48.354 12.782 -10.869 1.00 0.62 O ATOM 154 CB ASN A 10 -49.248 13.906 -8.005 1.00 0.62 C ATOM 155 1HB ASN A 10 -48.185 13.693 -7.896 1.00 0.62 H ATOM 156 2HB ASN A 10 -49.365 14.919 -8.388 1.00 0.62 H ATOM 157 CG ASN A 10 -49.900 13.838 -6.656 1.00 0.62 C ATOM 158 OD1 ASN A 10 -49.275 13.492 -5.675 1.00 0.62 O ATOM 159 ND2 ASN A 10 -51.162 14.155 -6.598 1.00 0.62 N ATOM 160 1HD2 ASN A 10 -51.633 14.078 -5.713 1.00 0.62 H ATOM 161 2HD2 ASN A 10 -51.653 14.443 -7.433 1.00 0.62 H ATOM 162 N CYS A 11 -50.098 14.173 -11.023 1.00 15.33 N ATOM 163 H CYS A 11 -50.927 14.543 -10.564 1.00 15.33 H ATOM 164 CA CYS A 11 -49.728 14.751 -12.304 1.00 15.33 C ATOM 165 HA CYS A 11 -48.680 14.561 -12.535 1.00 15.33 H ATOM 166 C CYS A 11 -49.952 16.236 -12.091 1.00 15.33 C ATOM 167 O CYS A 11 -51.051 16.647 -11.737 1.00 15.33 O ATOM 168 CB CYS A 11 -50.629 14.227 -13.424 1.00 15.33 C ATOM 169 1HB CYS A 11 -50.440 13.162 -13.563 1.00 15.33 H ATOM 170 2HB CYS A 11 -51.669 14.362 -13.128 1.00 15.33 H ATOM 171 SG CYS A 11 -50.373 15.098 -15.006 1.00 15.33 S ATOM 172 N VAL A 12 -48.927 17.055 -12.252 1.00 -1.14 N ATOM 173 H VAL A 12 -48.019 16.697 -12.505 1.00 -1.14 H ATOM 174 CA VAL A 12 -49.124 18.498 -12.148 1.00 -1.14 C ATOM 175 HA VAL A 12 -49.805 18.722 -11.327 1.00 -1.14 H ATOM 176 C VAL A 12 -49.794 18.831 -13.475 1.00 -1.14 C ATOM 177 O VAL A 12 -49.254 18.524 -14.531 1.00 -1.14 O ATOM 178 CB VAL A 12 -47.783 19.253 -11.928 1.00 -1.14 C ATOM 179 HB VAL A 12 -47.108 19.013 -12.744 1.00 -1.14 H ATOM 180 CG1 VAL A 12 -47.986 20.772 -11.897 1.00 -1.14 C ATOM 181 1HG1 VAL A 12 -47.037 21.264 -11.675 1.00 -1.14 H ATOM 182 2HG1 VAL A 12 -48.713 21.045 -11.129 1.00 -1.14 H ATOM 183 3HG1 VAL A 12 -48.327 21.125 -12.864 1.00 -1.14 H ATOM 184 CG2 VAL A 12 -47.124 18.793 -10.618 1.00 -1.14 C ATOM 185 1HG2 VAL A 12 -46.191 19.337 -10.464 1.00 -1.14 H ATOM 186 2HG2 VAL A 12 -46.893 17.729 -10.659 1.00 -1.14 H ATOM 187 3HG2 VAL A 12 -47.788 18.983 -9.772 1.00 -1.14 H ATOM 188 N VAL A 13 -50.966 19.445 -13.460 1.00 21.97 N ATOM 189 H VAL A 13 -51.361 19.761 -12.582 1.00 21.97 H ATOM 190 CA VAL A 13 -51.735 19.665 -14.692 1.00 21.97 C ATOM 191 HA VAL A 13 -51.423 18.930 -15.434 1.00 21.97 H ATOM 192 C VAL A 13 -51.385 21.029 -15.286 1.00 21.97 C ATOM 193 O VAL A 13 -52.155 21.667 -16.000 1.00 21.97 O ATOM 194 CB VAL A 13 -53.255 19.443 -14.470 1.00 21.97 C ATOM 195 HB VAL A 13 -53.788 19.724 -15.378 1.00 21.97 H ATOM 196 CG1 VAL A 13 -53.539 17.958 -14.197 1.00 21.97 C ATOM 197 1HG1 VAL A 13 -54.612 17.800 -14.092 1.00 21.97 H ATOM 198 2HG1 VAL A 13 -53.034 17.627 -13.289 1.00 21.97 H ATOM 199 3HG1 VAL A 13 -53.181 17.364 -15.038 1.00 21.97 H ATOM 200 CG2 VAL A 13 -53.781 20.271 -13.311 1.00 21.97 C ATOM 201 1HG2 VAL A 13 -54.867 20.288 -13.343 1.00 21.97 H ATOM 202 2HG2 VAL A 13 -53.427 21.296 -13.389 1.00 21.97 H ATOM 203 3HG2 VAL A 13 -53.467 19.850 -12.358 1.00 21.97 H ATOM 204 N ARG A 14 -50.164 21.447 -14.981 1.00 13.07 N ATOM 205 H ARG A 14 -49.659 20.938 -14.273 1.00 13.07 H ATOM 206 CA ARG A 14 -49.481 22.556 -15.650 1.00 13.07 C ATOM 207 HA ARG A 14 -50.095 22.906 -16.479 1.00 13.07 H ATOM 208 C ARG A 14 -48.154 22.081 -16.236 1.00 13.07 C ATOM 209 O ARG A 14 -47.286 22.887 -16.537 1.00 13.07 O ATOM 210 CB ARG A 14 -49.238 23.720 -14.676 1.00 13.07 C ATOM 211 1HB ARG A 14 -48.609 23.363 -13.861 1.00 13.07 H ATOM 212 2HB ARG A 14 -48.697 24.508 -15.201 1.00 13.07 H ATOM 213 CG ARG A 14 -50.497 24.343 -14.077 1.00 13.07 C ATOM 214 1HG ARG A 14 -51.059 23.578 -13.542 1.00 13.07 H ATOM 215 2HG ARG A 14 -50.199 25.114 -13.367 1.00 13.07 H ATOM 216 CD ARG A 14 -51.390 24.975 -15.146 1.00 13.07 C ATOM 217 1HD ARG A 14 -50.809 25.711 -15.701 1.00 13.07 H ATOM 218 2HD ARG A 14 -51.725 24.204 -15.838 1.00 13.07 H ATOM 219 NE ARG A 14 -52.563 25.632 -14.556 1.00 13.07 N ATOM 220 HE ARG A 14 -52.481 26.621 -14.387 1.00 13.07 H ATOM 221 CZ ARG A 14 -53.705 25.046 -14.221 1.00 13.07 C ATOM 222 NH1 ARG A 14 -54.584 25.759 -13.577 1.00 13.07 N ATOM 223 1HH1 ARG A 14 -54.429 26.734 -13.407 1.00 13.07 H ATOM 224 2HH1 ARG A 14 -55.440 25.339 -13.227 1.00 13.07 H ATOM 225 NH2 ARG A 14 -53.985 23.791 -14.466 1.00 13.07 N ATOM 226 1HH2 ARG A 14 -53.369 23.241 -15.056 1.00 13.07 H ATOM 227 2HH2 ARG A 14 -54.806 23.368 -14.052 1.00 13.07 H ATOM 228 N SER A 15 -47.987 20.773 -16.390 1.00 39.48 N ATOM 229 H SER A 15 -48.738 20.143 -16.152 1.00 39.48 H ATOM 230 CA SER A 15 -46.742 20.189 -16.918 1.00 39.48 C ATOM 231 HA SER A 15 -45.896 20.712 -16.470 1.00 39.48 H ATOM 232 C SER A 15 -46.612 20.304 -18.437 1.00 39.48 C ATOM 233 O SER A 15 -46.370 19.318 -19.132 1.00 39.48 O ATOM 234 CB SER A 15 -46.633 18.705 -16.558 1.00 39.48 C ATOM 235 1HB SER A 15 -47.455 18.157 -17.020 1.00 39.48 H ATOM 236 2HB SER A 15 -45.688 18.313 -16.936 1.00 39.48 H ATOM 237 OG SER A 15 -46.678 18.520 -15.156 1.00 39.48 O ATOM 238 HG SER A 15 -47.614 18.448 -14.901 1.00 39.48 H ATOM 239 N TYR A 16 -46.808 21.494 -18.973 1.00-11.90 N ATOM 240 H TYR A 16 -46.980 22.292 -18.369 1.00-11.90 H ATOM 241 CA TYR A 16 -46.724 21.701 -20.410 1.00-11.90 C ATOM 242 HA TYR A 16 -47.321 20.941 -20.911 1.00-11.90 H ATOM 243 C TYR A 16 -45.255 21.549 -20.798 1.00-11.90 C ATOM 244 O TYR A 16 -44.391 22.158 -20.182 1.00-11.90 O ATOM 245 CB TYR A 16 -47.264 23.089 -20.753 1.00-11.90 C ATOM 246 1HB TYR A 16 -46.573 23.838 -20.367 1.00-11.90 H ATOM 247 2HB TYR A 16 -47.326 23.196 -21.836 1.00-11.90 H ATOM 248 CG TYR A 16 -48.626 23.340 -20.132 1.00-11.90 C ATOM 249 CD1 TYR A 16 -48.821 24.424 -19.251 1.00-11.90 C ATOM 250 HD1 TYR A 16 -48.002 25.098 -19.037 1.00-11.90 H ATOM 251 CD2 TYR A 16 -49.719 22.484 -20.393 1.00-11.90 C ATOM 252 HD2 TYR A 16 -49.604 21.652 -21.074 1.00-11.90 H ATOM 253 CE1 TYR A 16 -50.082 24.648 -18.638 1.00-11.90 C ATOM 254 HE1 TYR A 16 -50.224 25.490 -17.979 1.00-11.90 H ATOM 255 CE2 TYR A 16 -50.975 22.691 -19.758 1.00-11.90 C ATOM 256 HE2 TYR A 16 -51.799 22.021 -19.954 1.00-11.90 H ATOM 257 CZ TYR A 16 -51.141 23.772 -18.888 1.00-11.90 C ATOM 258 OH TYR A 16 -52.346 23.970 -18.264 1.00-11.90 O ATOM 259 HH TYR A 16 -52.983 23.285 -18.477 1.00-11.90 H ATOM 260 N GLY A 17 -44.966 20.679 -21.756 1.00 -8.81 N ATOM 261 H GLY A 17 -45.704 20.185 -22.230 1.00 -8.81 H ATOM 262 CA GLY A 17 -43.583 20.384 -22.107 1.00 -8.81 C ATOM 263 1HA GLY A 17 -43.546 20.028 -23.135 1.00 -8.81 H ATOM 264 2HA GLY A 17 -42.990 21.297 -22.039 1.00 -8.81 H ATOM 265 C GLY A 17 -42.937 19.336 -21.215 1.00 -8.81 C ATOM 266 O GLY A 17 -41.767 19.026 -21.385 1.00 -8.81 O ATOM 267 N LEU A 18 -43.714 18.794 -20.283 1.00 17.62 N ATOM 268 H LEU A 18 -44.665 19.129 -20.192 1.00 17.62 H ATOM 269 CA LEU A 18 -43.287 17.758 -19.331 1.00 17.62 C ATOM 270 HA LEU A 18 -44.081 17.669 -18.592 1.00 17.62 H ATOM 271 C LEU A 18 -42.001 18.027 -18.526 1.00 17.62 C ATOM 272 O LEU A 18 -41.088 17.205 -18.517 1.00 17.62 O ATOM 273 CB LEU A 18 -43.196 16.394 -20.034 1.00 17.62 C ATOM 274 1HB LEU A 18 -42.408 16.453 -20.784 1.00 17.62 H ATOM 275 2HB LEU A 18 -42.897 15.650 -19.296 1.00 17.62 H ATOM 276 CG LEU A 18 -44.470 15.871 -20.718 1.00 17.62 C ATOM 277 HG LEU A 18 -44.819 16.617 -21.432 1.00 17.62 H ATOM 278 CD1 LEU A 18 -44.143 14.598 -21.496 1.00 17.62 C ATOM 279 1HD1 LEU A 18 -45.042 14.218 -21.980 1.00 17.62 H ATOM 280 2HD1 LEU A 18 -43.742 13.838 -20.827 1.00 17.62 H ATOM 281 3HD1 LEU A 18 -43.400 14.821 -22.263 1.00 17.62 H ATOM 282 CD2 LEU A 18 -45.601 15.597 -19.717 1.00 17.62 C ATOM 283 1HD2 LEU A 18 -46.444 15.135 -20.231 1.00 17.62 H ATOM 284 2HD2 LEU A 18 -45.937 16.535 -19.276 1.00 17.62 H ATOM 285 3HD2 LEU A 18 -45.249 14.934 -18.926 1.00 17.62 H ATOM 286 N PRO A 19 -41.943 19.132 -17.754 1.00 2.15 N ATOM 287 CA PRO A 19 -40.790 19.310 -16.856 1.00 2.15 C ATOM 288 HA PRO A 19 -39.861 19.061 -17.369 1.00 2.15 H ATOM 289 C PRO A 19 -40.901 18.495 -15.555 1.00 2.15 C ATOM 290 O PRO A 19 -40.298 18.825 -14.534 1.00 2.15 O ATOM 291 CB PRO A 19 -40.840 20.813 -16.572 1.00 2.15 C ATOM 292 1HB PRO A 19 -40.353 21.065 -15.631 1.00 2.15 H ATOM 293 2HB PRO A 19 -40.382 21.364 -17.393 1.00 2.15 H ATOM 294 CG PRO A 19 -42.289 21.095 -16.508 1.00 2.15 C ATOM 295 1HG PRO A 19 -42.685 20.783 -15.542 1.00 2.15 H ATOM 296 2HG PRO A 19 -42.486 22.154 -16.674 1.00 2.15 H ATOM 297 CD PRO A 19 -42.885 20.261 -17.610 1.00 2.15 C ATOM 298 1HD PRO A 19 -43.875 19.909 -17.330 1.00 2.15 H ATOM 299 2HD PRO A 19 -42.922 20.835 -18.536 1.00 2.15 H ATOM 300 N THR A 20 -41.732 17.463 -15.567 1.00 26.63 N ATOM 301 H THR A 20 -42.130 17.159 -16.444 1.00 26.63 H ATOM 302 CA THR A 20 -42.082 16.668 -14.397 1.00 26.63 C ATOM 303 HA THR A 20 -41.369 16.822 -13.588 1.00 26.63 H ATOM 304 C THR A 20 -42.035 15.226 -14.875 1.00 26.63 C ATOM 305 O THR A 20 -41.988 14.989 -16.080 1.00 26.63 O ATOM 306 CB THR A 20 -43.520 16.982 -13.922 1.00 26.63 C ATOM 307 HB THR A 20 -43.797 16.300 -13.118 1.00 26.63 H ATOM 308 OG1 THR A 20 -44.415 16.826 -15.024 1.00 26.63 O ATOM 309 HG1 THR A 20 -45.190 17.381 -14.871 1.00 26.63 H ATOM 310 CG2 THR A 20 -43.665 18.414 -13.433 1.00 26.63 C ATOM 311 1HG2 THR A 20 -44.651 18.550 -12.993 1.00 26.63 H ATOM 312 2HG2 THR A 20 -43.551 19.103 -14.268 1.00 26.63 H ATOM 313 3HG2 THR A 20 -42.903 18.632 -12.683 1.00 26.63 H ATOM 314 N ILE A 21 -42.058 14.266 -13.959 1.00-11.96 N ATOM 315 H ILE A 21 -42.074 14.501 -12.983 1.00-11.96 H ATOM 316 CA ILE A 21 -42.101 12.854 -14.344 1.00-11.96 C ATOM 317 HA ILE A 21 -41.286 12.658 -15.037 1.00-11.96 H ATOM 318 C ILE A 21 -43.458 12.644 -15.035 1.00-11.96 C ATOM 319 O ILE A 21 -44.499 12.943 -14.432 1.00-11.96 O ATOM 320 CB ILE A 21 -41.962 11.910 -13.110 1.00-11.96 C ATOM 321 HB ILE A 21 -42.755 12.152 -12.407 1.00-11.96 H ATOM 322 CG1 ILE A 21 -40.607 12.150 -12.411 1.00-11.96 C ATOM 323 1HG1 ILE A 21 -39.810 11.821 -13.078 1.00-11.96 H ATOM 324 2HG1 ILE A 21 -40.478 13.218 -12.241 1.00-11.96 H ATOM 325 CG2 ILE A 21 -42.111 10.423 -13.517 1.00-11.96 C ATOM 326 1HG2 ILE A 21 -42.073 9.782 -12.638 1.00-11.96 H ATOM 327 2HG2 ILE A 21 -41.317 10.134 -14.210 1.00-11.96 H ATOM 328 3HG2 ILE A 21 -43.075 10.264 -13.998 1.00-11.96 H ATOM 329 CD1 ILE A 21 -40.429 11.448 -11.054 1.00-11.96 C ATOM 330 1HD1 ILE A 21 -39.492 11.774 -10.601 1.00-11.96 H ATOM 331 2HD1 ILE A 21 -40.395 10.366 -11.188 1.00-11.96 H ATOM 332 3HD1 ILE A 21 -41.253 11.708 -10.388 1.00-11.96 H ATOM 333 N PRO A 22 -43.473 12.163 -16.295 1.00 -2.79 N ATOM 334 CA PRO A 22 -44.769 11.986 -16.960 1.00 -2.79 C ATOM 335 HA PRO A 22 -45.401 12.863 -16.822 1.00 -2.79 H ATOM 336 C PRO A 22 -45.497 10.733 -16.493 1.00 -2.79 C ATOM 337 O PRO A 22 -44.923 9.879 -15.818 1.00 -2.79 O ATOM 338 CB PRO A 22 -44.368 11.847 -18.429 1.00 -2.79 C ATOM 339 1HB PRO A 22 -45.101 11.267 -18.988 1.00 -2.79 H ATOM 340 2HB PRO A 22 -44.237 12.830 -18.874 1.00 -2.79 H ATOM 341 CG PRO A 22 -43.073 11.141 -18.367 1.00 -2.79 C ATOM 342 1HG PRO A 22 -43.235 10.079 -18.180 1.00 -2.79 H ATOM 343 2HG PRO A 22 -42.508 11.285 -19.288 1.00 -2.79 H ATOM 344 CD PRO A 22 -42.368 11.780 -17.198 1.00 -2.79 C ATOM 345 1HD PRO A 22 -41.699 11.064 -16.719 1.00 -2.79 H ATOM 346 2HD PRO A 22 -41.822 12.669 -17.520 1.00 -2.79 H ATOM 347 N CYS A 23 -46.755 10.583 -16.873 1.00 30.04 N ATOM 348 H CYS A 23 -47.210 11.295 -17.419 1.00 30.04 H ATOM 349 CA CYS A 23 -47.480 9.357 -16.566 1.00 30.04 C ATOM 350 HA CYS A 23 -47.265 9.068 -15.545 1.00 30.04 H ATOM 351 C CYS A 23 -47.058 8.210 -17.467 1.00 30.04 C ATOM 352 O CYS A 23 -46.508 8.410 -18.552 1.00 30.04 O ATOM 353 CB CYS A 23 -48.980 9.576 -16.691 1.00 30.04 C ATOM 354 1HB CYS A 23 -49.230 9.808 -17.727 1.00 30.04 H ATOM 355 2HB CYS A 23 -49.495 8.660 -16.404 1.00 30.04 H ATOM 356 SG CYS A 23 -49.537 10.929 -15.616 1.00 30.04 S ATOM 357 N CYS A 24 -47.333 6.999 -17.013 1.00 23.43 N ATOM 358 H CYS A 24 -47.753 6.884 -16.093 1.00 23.43 H ATOM 359 CA CYS A 24 -47.057 5.820 -17.818 1.00 23.43 C ATOM 360 HA CYS A 24 -46.020 5.858 -18.147 1.00 23.43 H ATOM 361 C CYS A 24 -47.951 5.822 -19.057 1.00 23.43 C ATOM 362 O CYS A 24 -49.007 6.452 -19.082 1.00 23.43 O ATOM 363 CB CYS A 24 -47.256 4.568 -16.967 1.00 23.43 C ATOM 364 1HB CYS A 24 -48.304 4.511 -16.671 1.00 23.43 H ATOM 365 2HB CYS A 24 -47.018 3.687 -17.562 1.00 23.43 H ATOM 366 SG CYS A 24 -46.228 4.565 -15.459 1.00 23.43 S ATOM 367 N ARG A 25 -47.515 5.134 -20.103 1.00-20.03 N ATOM 368 H ARG A 25 -46.668 4.600 -20.018 1.00-20.03 H ATOM 369 CA ARG A 25 -48.245 5.143 -21.374 1.00-20.03 C ATOM 370 HA ARG A 25 -48.330 6.176 -21.713 1.00-20.03 H ATOM 371 C ARG A 25 -49.651 4.591 -21.168 1.00-20.03 C ATOM 372 O ARG A 25 -49.825 3.574 -20.508 1.00-20.03 O ATOM 373 CB ARG A 25 -47.513 4.311 -22.433 1.00-20.03 C ATOM 374 1HB ARG A 25 -47.422 3.290 -22.064 1.00-20.03 H ATOM 375 2HB ARG A 25 -48.122 4.296 -23.337 1.00-20.03 H ATOM 376 CG ARG A 25 -46.124 4.842 -22.793 1.00-20.03 C ATOM 377 1HG ARG A 25 -46.223 5.867 -23.150 1.00-20.03 H ATOM 378 2HG ARG A 25 -45.489 4.840 -21.907 1.00-20.03 H ATOM 379 CD ARG A 25 -45.458 4.004 -23.883 1.00-20.03 C ATOM 380 1HD ARG A 25 -46.119 3.966 -24.750 1.00-20.03 H ATOM 381 2HD ARG A 25 -44.527 4.494 -24.175 1.00-20.03 H ATOM 382 NE ARG A 25 -45.155 2.631 -23.441 1.00-20.03 N ATOM 383 HE ARG A 25 -45.399 2.403 -22.492 1.00-20.03 H ATOM 384 CZ ARG A 25 -44.589 1.676 -24.169 1.00-20.03 C ATOM 385 NH1 ARG A 25 -44.377 0.511 -23.621 1.00-20.03 N ATOM 386 1HH1 ARG A 25 -44.631 0.345 -22.662 1.00-20.03 H ATOM 387 2HH1 ARG A 25 -43.959 -0.230 -24.159 1.00-20.03 H ATOM 388 NH2 ARG A 25 -44.229 1.835 -25.418 1.00-20.03 N ATOM 389 1HH2 ARG A 25 -44.370 2.723 -25.868 1.00-20.03 H ATOM 390 2HH2 ARG A 25 -43.811 1.075 -25.928 1.00-20.03 H ATOM 391 N GLY A 26 -50.633 5.264 -21.749 1.00 4.10 N ATOM 392 H GLY A 26 -50.427 6.093 -22.281 1.00 4.10 H ATOM 393 CA GLY A 26 -52.021 4.850 -21.614 1.00 4.10 C ATOM 394 1HA GLY A 26 -52.562 5.152 -22.510 1.00 4.10 H ATOM 395 2HA GLY A 26 -52.070 3.764 -21.533 1.00 4.10 H ATOM 396 C GLY A 26 -52.731 5.452 -20.417 1.00 4.10 C ATOM 397 O GLY A 26 -53.859 5.068 -20.124 1.00 4.10 O ATOM 398 N LEU A 27 -52.097 6.394 -19.734 1.00 26.82 N ATOM 399 H LEU A 27 -51.158 6.672 -19.988 1.00 26.82 H ATOM 400 CA LEU A 27 -52.714 7.095 -18.611 1.00 26.82 C ATOM 401 HA LEU A 27 -53.725 6.736 -18.449 1.00 26.82 H ATOM 402 C LEU A 27 -52.796 8.568 -18.981 1.00 26.82 C ATOM 403 O LEU A 27 -51.961 9.075 -19.730 1.00 26.82 O ATOM 404 CB LEU A 27 -51.910 6.928 -17.315 1.00 26.82 C ATOM 405 1HB LEU A 27 -50.874 7.169 -17.539 1.00 26.82 H ATOM 406 2HB LEU A 27 -52.268 7.694 -16.628 1.00 26.82 H ATOM 407 CG LEU A 27 -51.938 5.604 -16.531 1.00 26.82 C ATOM 408 HG LEU A 27 -52.960 5.428 -16.202 1.00 26.82 H ATOM 409 CD1 LEU A 27 -51.468 4.354 -17.275 1.00 26.82 C ATOM 410 1HD1 LEU A 27 -51.407 3.506 -16.596 1.00 26.82 H ATOM 411 2HD1 LEU A 27 -50.493 4.533 -17.728 1.00 26.82 H ATOM 412 3HD1 LEU A 27 -52.180 4.114 -18.062 1.00 26.82 H ATOM 413 CD2 LEU A 27 -51.072 5.784 -15.294 1.00 26.82 C ATOM 414 1HD2 LEU A 27 -51.073 4.871 -14.703 1.00 26.82 H ATOM 415 2HD2 LEU A 27 -51.457 6.596 -14.678 1.00 26.82 H ATOM 416 3HD2 LEU A 27 -50.045 6.015 -15.582 1.00 26.82 H ATOM 417 N THR A 28 -53.814 9.237 -18.463 1.00 -0.50 N ATOM 418 H THR A 28 -54.452 8.763 -17.829 1.00 -0.50 H ATOM 419 CA THR A 28 -54.088 10.642 -18.735 1.00 -0.50 C ATOM 420 HA THR A 28 -53.236 11.097 -19.239 1.00 -0.50 H ATOM 421 C THR A 28 -54.321 11.341 -17.401 1.00 -0.50 C ATOM 422 O THR A 28 -54.718 10.708 -16.416 1.00 -0.50 O ATOM 423 CB THR A 28 -55.352 10.795 -19.611 1.00 -0.50 C ATOM 424 HB THR A 28 -55.574 11.854 -19.747 1.00 -0.50 H ATOM 425 OG1 THR A 28 -56.451 10.145 -18.972 1.00 -0.50 O ATOM 426 HG1 THR A 28 -57.185 10.128 -19.590 1.00 -0.50 H ATOM 427 CG2 THR A 28 -55.183 10.136 -20.971 1.00 -0.50 C ATOM 428 1HG2 THR A 28 -56.032 10.389 -21.605 1.00 -0.50 H ATOM 429 2HG2 THR A 28 -55.134 9.052 -20.859 1.00 -0.50 H ATOM 430 3HG2 THR A 28 -54.267 10.489 -21.446 1.00 -0.50 H ATOM 431 N CYS A 29 -54.038 12.633 -17.341 1.00 -9.32 N ATOM 432 H CYS A 29 -53.720 13.122 -18.159 1.00 -9.32 H ATOM 433 CA CYS A 29 -54.174 13.371 -16.091 1.00 -9.32 C ATOM 434 HA CYS A 29 -53.946 12.703 -15.265 1.00 -9.32 H ATOM 435 C CYS A 29 -55.583 13.923 -15.914 1.00 -9.32 C ATOM 436 O CYS A 29 -56.226 14.318 -16.884 1.00 -9.32 O ATOM 437 CB CYS A 29 -53.185 14.538 -16.059 1.00 -9.32 C ATOM 438 1HB CYS A 29 -53.465 15.261 -16.826 1.00 -9.32 H ATOM 439 2HB CYS A 29 -53.256 15.022 -15.085 1.00 -9.32 H ATOM 440 SG CYS A 29 -51.462 14.025 -16.340 1.00 -9.32 S ATOM 441 N ARG A 30 -56.024 14.042 -14.669 1.00 -2.06 N ATOM 442 H ARG A 30 -55.468 13.648 -13.908 1.00 -2.06 H ATOM 443 CA ARG A 30 -57.228 14.805 -14.325 1.00 -2.06 C ATOM 444 HA ARG A 30 -57.496 15.457 -15.157 1.00 -2.06 H ATOM 445 C ARG A 30 -56.879 15.662 -13.128 1.00 -2.06 C ATOM 446 O ARG A 30 -56.147 15.215 -12.249 1.00 -2.06 O ATOM 447 CB ARG A 30 -58.415 13.901 -13.983 1.00 -2.06 C ATOM 448 1HB ARG A 30 -58.111 13.174 -13.229 1.00 -2.06 H ATOM 449 2HB ARG A 30 -59.198 14.530 -13.557 1.00 -2.06 H ATOM 450 CG ARG A 30 -59.004 13.173 -15.182 1.00 -2.06 C ATOM 451 1HG ARG A 30 -59.176 13.896 -15.981 1.00 -2.06 H ATOM 452 2HG ARG A 30 -58.304 12.414 -15.534 1.00 -2.06 H ATOM 453 CD ARG A 30 -60.334 12.525 -14.820 1.00 -2.06 C ATOM 454 1HD ARG A 30 -60.173 11.781 -14.038 1.00 -2.06 H ATOM 455 2HD ARG A 30 -61.002 13.295 -14.433 1.00 -2.06 H ATOM 456 NE ARG A 30 -60.972 11.897 -15.988 1.00 -2.06 N ATOM 457 HE ARG A 30 -61.590 12.477 -16.529 1.00 -2.06 H ATOM 458 CZ ARG A 30 -60.815 10.643 -16.395 1.00 -2.06 C ATOM 459 NH1 ARG A 30 -61.450 10.247 -17.457 1.00 -2.06 N ATOM 460 1HH1 ARG A 30 -62.050 10.857 -17.970 1.00 -2.06 H ATOM 461 2HH1 ARG A 30 -61.318 9.276 -17.774 1.00 -2.06 H ATOM 462 NH2 ARG A 30 -60.057 9.781 -15.779 1.00 -2.06 N ATOM 463 1HH2 ARG A 30 -59.566 10.041 -14.953 1.00 -2.06 H ATOM 464 2HH2 ARG A 30 -59.958 8.829 -16.155 1.00 -2.06 H ATOM 465 N SER A 31 -57.385 16.883 -13.097 1.00 6.74 N ATOM 466 H SER A 31 -58.003 17.194 -13.830 1.00 6.74 H ATOM 467 CA SER A 31 -57.125 17.809 -12.001 1.00 6.74 C ATOM 468 HA SER A 31 -56.074 17.775 -11.724 1.00 6.74 H ATOM 469 C SER A 31 -57.978 17.387 -10.804 1.00 6.74 C ATOM 470 O SER A 31 -58.958 16.655 -10.980 1.00 6.74 O ATOM 471 CB SER A 31 -57.466 19.219 -12.482 1.00 6.74 C ATOM 472 1HB SER A 31 -57.227 19.938 -11.707 1.00 6.74 H ATOM 473 2HB SER A 31 -56.863 19.440 -13.361 1.00 6.74 H ATOM 474 OG SER A 31 -58.833 19.327 -12.835 1.00 6.74 O ATOM 475 HG SER A 31 -59.295 19.756 -12.102 1.00 6.74 H ATOM 476 N TYR A 32 -57.633 17.795 -9.589 1.00 2.66 N ATOM 477 H TYR A 32 -56.806 18.376 -9.455 1.00 2.66 H ATOM 478 CA TYR A 32 -58.444 17.397 -8.430 1.00 2.66 C ATOM 479 HA TYR A 32 -58.671 16.339 -8.515 1.00 2.66 H ATOM 480 C TYR A 32 -59.788 18.106 -8.363 1.00 2.66 C ATOM 481 O TYR A 32 -60.774 17.518 -7.941 1.00 2.66 O ATOM 482 CB TYR A 32 -57.699 17.585 -7.113 1.00 2.66 C ATOM 483 1HB TYR A 32 -57.148 18.525 -7.129 1.00 2.66 H ATOM 484 2HB TYR A 32 -58.432 17.621 -6.306 1.00 2.66 H ATOM 485 CG TYR A 32 -56.770 16.425 -6.837 1.00 2.66 C ATOM 486 CD1 TYR A 32 -55.412 16.494 -7.178 1.00 2.66 C ATOM 487 HD1 TYR A 32 -55.028 17.388 -7.644 1.00 2.66 H ATOM 488 CD2 TYR A 32 -57.255 15.239 -6.246 1.00 2.66 C ATOM 489 HD2 TYR A 32 -58.299 15.163 -5.970 1.00 2.66 H ATOM 490 CE1 TYR A 32 -54.538 15.414 -6.911 1.00 2.66 C ATOM 491 HE1 TYR A 32 -53.490 15.495 -7.148 1.00 2.66 H ATOM 492 CE2 TYR A 32 -56.383 14.141 -5.995 1.00 2.66 C ATOM 493 HE2 TYR A 32 -56.761 13.239 -5.536 1.00 2.66 H ATOM 494 CZ TYR A 32 -55.029 14.247 -6.327 1.00 2.66 C ATOM 495 OH TYR A 32 -54.157 13.215 -6.094 1.00 2.66 O ATOM 496 HH TYR A 32 -54.565 12.459 -5.665 1.00 2.66 H ATOM 497 N PHE A 33 -59.840 19.333 -8.851 1.00-11.10 N ATOM 498 H PHE A 33 -58.992 19.787 -9.158 1.00-11.10 H ATOM 499 CA PHE A 33 -61.103 20.036 -9.055 1.00-11.10 C ATOM 500 HA PHE A 33 -61.893 19.309 -9.250 1.00-11.10 H ATOM 501 C PHE A 33 -60.859 20.842 -10.326 1.00-11.10 C ATOM 502 O PHE A 33 -59.687 21.002 -10.711 1.00-11.10 O ATOM 503 CB PHE A 33 -61.501 20.869 -7.823 1.00-11.10 C ATOM 504 1HB PHE A 33 -62.478 21.313 -8.001 1.00-11.10 H ATOM 505 2HB PHE A 33 -61.590 20.198 -6.969 1.00-11.10 H ATOM 506 CG PHE A 33 -60.540 21.973 -7.464 1.00-11.10 C ATOM 507 CD1 PHE A 33 -60.674 23.246 -8.047 1.00-11.10 C ATOM 508 HD1 PHE A 33 -61.433 23.418 -8.796 1.00-11.10 H ATOM 509 CD2 PHE A 33 -59.557 21.774 -6.476 1.00-11.10 C ATOM 510 HD2 PHE A 33 -59.443 20.802 -6.017 1.00-11.10 H ATOM 511 CE1 PHE A 33 -59.843 24.322 -7.648 1.00-11.10 C ATOM 512 HE1 PHE A 33 -59.959 25.292 -8.110 1.00-11.10 H ATOM 513 CE2 PHE A 33 -58.729 22.848 -6.050 1.00-11.10 C ATOM 514 HE2 PHE A 33 -57.995 22.692 -5.274 1.00-11.10 H ATOM 515 CZ PHE A 33 -58.877 24.126 -6.636 1.00-11.10 C ATOM 516 HZ PHE A 33 -58.258 24.949 -6.309 1.00-11.10 H ATOM 517 N PRO A 34 -61.911 21.285 -11.040 1.00-13.45 N ATOM 518 CA PRO A 34 -61.557 21.927 -12.312 1.00-13.45 C ATOM 519 HA PRO A 34 -60.949 21.253 -12.916 1.00-13.45 H ATOM 520 C PRO A 34 -60.807 23.242 -12.121 1.00-13.45 C ATOM 521 O PRO A 34 -61.033 23.978 -11.172 1.00-13.45 O ATOM 522 CB PRO A 34 -62.919 22.135 -12.982 1.00-13.45 C ATOM 523 1HB PRO A 34 -62.917 23.030 -13.605 1.00-13.45 H ATOM 524 2HB PRO A 34 -63.183 21.259 -13.573 1.00-13.45 H ATOM 525 CG PRO A 34 -63.862 22.275 -11.843 1.00-13.45 C ATOM 526 1HG PRO A 34 -63.786 23.275 -11.413 1.00-13.45 H ATOM 527 2HG PRO A 34 -64.886 22.068 -12.155 1.00-13.45 H ATOM 528 CD PRO A 34 -63.376 21.241 -10.860 1.00-13.45 C ATOM 529 1HD PRO A 34 -63.661 21.518 -9.846 1.00-13.45 H ATOM 530 2HD PRO A 34 -63.760 20.253 -11.119 1.00-13.45 H ATOM 531 N GLY A 35 -59.852 23.502 -13.001 1.00 -5.87 N ATOM 532 H GLY A 35 -59.672 22.859 -13.756 1.00 -5.87 H ATOM 533 CA GLY A 35 -59.039 24.704 -12.891 1.00 -5.87 C ATOM 534 1HA GLY A 35 -58.645 24.947 -13.877 1.00 -5.87 H ATOM 535 2HA GLY A 35 -59.673 25.530 -12.570 1.00 -5.87 H ATOM 536 C GLY A 35 -57.870 24.614 -11.925 1.00 -5.87 C ATOM 537 O GLY A 35 -56.972 25.449 -11.994 1.00 -5.87 O ATOM 538 N SER A 36 -57.828 23.612 -11.056 1.00 5.50 N ATOM 539 H SER A 36 -58.588 22.948 -11.021 1.00 5.50 H ATOM 540 CA SER A 36 -56.697 23.460 -10.134 1.00 5.50 C ATOM 541 HA SER A 36 -56.566 24.397 -9.592 1.00 5.50 H ATOM 542 C SER A 36 -55.405 23.178 -10.898 1.00 5.50 C ATOM 543 O SER A 36 -55.423 22.732 -12.046 1.00 5.50 O ATOM 544 CB SER A 36 -56.961 22.354 -9.110 1.00 5.50 C ATOM 545 1HB SER A 36 -56.119 22.288 -8.422 1.00 5.50 H ATOM 546 2HB SER A 36 -57.852 22.612 -8.549 1.00 5.50 H ATOM 547 OG SER A 36 -57.172 21.097 -9.715 1.00 5.50 O ATOM 548 HG SER A 36 -58.003 21.143 -10.212 1.00 5.50 H ATOM 549 N THR A 37 -54.274 23.473 -10.273 1.00 3.05 N ATOM 550 H THR A 37 -54.294 23.852 -9.337 1.00 3.05 H ATOM 551 CA THR A 37 -52.958 23.305 -10.892 1.00 3.05 C ATOM 552 HA THR A 37 -53.015 23.495 -11.960 1.00 3.05 H ATOM 553 C THR A 37 -52.379 21.913 -10.679 1.00 3.05 C ATOM 554 O THR A 37 -51.367 21.545 -11.282 1.00 3.05 O ATOM 555 CB THR A 37 -51.968 24.285 -10.242 1.00 3.05 C ATOM 556 HB THR A 37 -50.955 24.077 -10.590 1.00 3.05 H ATOM 557 OG1 THR A 37 -52.055 24.128 -8.824 1.00 3.05 O ATOM 558 HG1 THR A 37 -51.340 24.631 -8.420 1.00 3.05 H ATOM 559 CG2 THR A 37 -52.320 25.733 -10.545 1.00 3.05 C ATOM 560 1HG2 THR A 37 -51.579 26.386 -10.083 1.00 3.05 H ATOM 561 2HG2 THR A 37 -53.305 25.982 -10.145 1.00 3.05 H ATOM 562 3HG2 THR A 37 -52.310 25.899 -11.620 1.00 3.05 H ATOM 563 N TYR A 38 -53.027 21.131 -9.830 1.00 10.97 N ATOM 564 H TYR A 38 -53.909 21.428 -9.442 1.00 10.97 H ATOM 565 CA TYR A 38 -52.508 19.840 -9.401 1.00 10.97 C ATOM 566 HA TYR A 38 -51.630 19.589 -9.992 1.00 10.97 H ATOM 567 C TYR A 38 -53.568 18.778 -9.655 1.00 10.97 C ATOM 568 O TYR A 38 -54.771 19.054 -9.686 1.00 10.97 O ATOM 569 CB TYR A 38 -52.089 19.903 -7.926 1.00 10.97 C ATOM 570 1HB TYR A 38 -51.652 18.944 -7.648 1.00 10.97 H ATOM 571 2HB TYR A 38 -51.320 20.669 -7.819 1.00 10.97 H ATOM 572 CG TYR A 38 -53.218 20.209 -6.958 1.00 10.97 C ATOM 573 CD1 TYR A 38 -53.782 19.181 -6.180 1.00 10.97 C ATOM 574 HD1 TYR A 38 -53.386 18.177 -6.247 1.00 10.97 H ATOM 575 CD2 TYR A 38 -53.719 21.521 -6.797 1.00 10.97 C ATOM 576 HD2 TYR A 38 -53.266 22.341 -7.336 1.00 10.97 H ATOM 577 CE1 TYR A 38 -54.870 19.436 -5.305 1.00 10.97 C ATOM 578 HE1 TYR A 38 -55.298 18.632 -4.725 1.00 10.97 H ATOM 579 CE2 TYR A 38 -54.812 21.780 -5.923 1.00 10.97 C ATOM 580 HE2 TYR A 38 -55.199 22.781 -5.808 1.00 10.97 H ATOM 581 CZ TYR A 38 -55.378 20.731 -5.194 1.00 10.97 C ATOM 582 OH TYR A 38 -56.431 20.974 -4.352 1.00 10.97 O ATOM 583 HH TYR A 38 -56.710 20.193 -3.871 1.00 10.97 H ATOM 584 N GLY A 39 -53.110 17.569 -9.917 1.00 -5.04 N ATOM 585 H GLY A 39 -52.119 17.366 -9.884 1.00 -5.04 H ATOM 586 CA GLY A 39 -53.984 16.501 -10.348 1.00 -5.04 C ATOM 587 1HA GLY A 39 -54.939 16.555 -9.829 1.00 -5.04 H ATOM 588 2HA GLY A 39 -54.158 16.604 -11.418 1.00 -5.04 H ATOM 589 C GLY A 39 -53.358 15.154 -10.092 1.00 -5.04 C ATOM 590 O GLY A 39 -52.370 15.040 -9.361 1.00 -5.04 O ATOM 591 N ARG A 40 -53.931 14.140 -10.716 1.00 -2.32 N ATOM 592 H ARG A 40 -54.695 14.343 -11.364 1.00 -2.32 H ATOM 593 CA ARG A 40 -53.546 12.739 -10.557 1.00 -2.32 C ATOM 594 HA ARG A 40 -52.536 12.649 -10.169 1.00 -2.32 H ATOM 595 C ARG A 40 -53.614 12.138 -11.946 1.00 -2.32 C ATOM 596 O ARG A 40 -54.257 12.735 -12.811 1.00 -2.32 O ATOM 597 CB ARG A 40 -54.539 12.035 -9.621 1.00 -2.32 C ATOM 598 1HB ARG A 40 -54.203 11.015 -9.432 1.00 -2.32 H ATOM 599 2HB ARG A 40 -54.558 12.576 -8.677 1.00 -2.32 H ATOM 600 CG ARG A 40 -55.954 11.998 -10.199 1.00 -2.32 C ATOM 601 1HG ARG A 40 -56.203 12.985 -10.581 1.00 -2.32 H ATOM 602 2HG ARG A 40 -55.984 11.295 -11.032 1.00 -2.32 H ATOM 603 CD ARG A 40 -57.031 11.620 -9.210 1.00 -2.32 C ATOM 604 1HD ARG A 40 -56.864 10.601 -8.858 1.00 -2.32 H ATOM 605 2HD ARG A 40 -57.014 12.306 -8.363 1.00 -2.32 H ATOM 606 NE ARG A 40 -58.322 11.709 -9.908 1.00 -2.32 N ATOM 607 HE ARG A 40 -58.678 10.855 -10.322 1.00 -2.32 H ATOM 608 CZ ARG A 40 -59.040 12.807 -10.112 1.00 -2.32 C ATOM 609 NH1 ARG A 40 -60.107 12.711 -10.850 1.00 -2.32 N ATOM 610 1HH1 ARG A 40 -60.325 11.823 -11.287 1.00 -2.32 H ATOM 611 2HH1 ARG A 40 -60.694 13.514 -10.990 1.00 -2.32 H ATOM 612 NH2 ARG A 40 -58.728 13.985 -9.639 1.00 -2.32 N ATOM 613 1HH2 ARG A 40 -57.947 14.079 -9.015 1.00 -2.32 H ATOM 614 2HH2 ARG A 40 -59.247 14.808 -9.923 1.00 -2.32 H ATOM 615 N CYS A 41 -53.018 10.979 -12.159 1.00 15.96 N ATOM 616 H CYS A 41 -52.448 10.565 -11.424 1.00 15.96 H ATOM 617 CA CYS A 41 -53.189 10.253 -13.413 1.00 15.96 C ATOM 618 HA CYS A 41 -53.633 10.914 -14.153 1.00 15.96 H ATOM 619 C CYS A 41 -54.135 9.074 -13.221 1.00 15.96 C ATOM 620 O CYS A 41 -54.235 8.530 -12.122 1.00 15.96 O ATOM 621 CB CYS A 41 -51.833 9.803 -13.952 1.00 15.96 C ATOM 622 1HB CYS A 41 -51.052 10.081 -13.243 1.00 15.96 H ATOM 623 2HB CYS A 41 -51.825 8.722 -14.087 1.00 15.96 H ATOM 624 SG CYS A 41 -51.535 10.627 -15.544 1.00 15.96 S ATOM 625 N GLN A 42 -54.841 8.690 -14.274 1.00 1.14 N ATOM 626 H GLN A 42 -54.752 9.205 -15.154 1.00 1.14 H ATOM 627 CA GLN A 42 -55.746 7.539 -14.274 1.00 1.14 C ATOM 628 HA GLN A 42 -55.464 6.813 -13.513 1.00 1.14 H ATOM 629 C GLN A 42 -55.606 6.927 -15.660 1.00 1.14 C ATOM 630 O GLN A 42 -55.177 7.625 -16.571 1.00 1.14 O ATOM 631 CB GLN A 42 -57.203 7.973 -14.083 1.00 1.14 C ATOM 632 1HB GLN A 42 -57.439 8.723 -14.838 1.00 1.14 H ATOM 633 2HB GLN A 42 -57.832 7.101 -14.259 1.00 1.14 H ATOM 634 CG GLN A 42 -57.539 8.539 -12.704 1.00 1.14 C ATOM 635 1HG GLN A 42 -57.305 7.787 -11.951 1.00 1.14 H ATOM 636 2HG GLN A 42 -56.926 9.421 -12.523 1.00 1.14 H ATOM 637 CD GLN A 42 -58.996 8.935 -12.566 1.00 1.14 C ATOM 638 OE1 GLN A 42 -59.311 10.047 -12.143 1.00 1.14 O ATOM 639 NE2 GLN A 42 -59.894 8.058 -12.924 1.00 1.14 N ATOM 640 1HE2 GLN A 42 -60.869 8.277 -12.816 1.00 1.14 H ATOM 641 2HE2 GLN A 42 -59.613 7.174 -13.327 1.00 1.14 H ATOM 642 N ARG A 43 -55.960 5.663 -15.849 1.00 24.93 N ATOM 643 H ARG A 43 -56.304 5.113 -15.064 1.00 24.93 H ATOM 644 CA ARG A 43 -55.937 5.043 -17.178 1.00 24.93 C ATOM 645 HA ARG A 43 -55.110 5.452 -17.754 1.00 24.93 H ATOM 646 C ARG A 43 -57.239 5.418 -17.886 1.00 24.93 C ATOM 647 O ARG A 43 -58.160 4.600 -17.981 1.00 24.93 O ATOM 648 CB ARG A 43 -55.754 3.524 -17.073 1.00 24.93 C ATOM 649 1HB ARG A 43 -54.862 3.320 -16.482 1.00 24.93 H ATOM 650 2HB ARG A 43 -56.610 3.106 -16.544 1.00 24.93 H ATOM 651 CG ARG A 43 -55.608 2.827 -18.425 1.00 24.93 C ATOM 652 1HG ARG A 43 -55.777 3.558 -19.213 1.00 24.93 H ATOM 653 2HG ARG A 43 -54.600 2.428 -18.533 1.00 24.93 H ATOM 654 CD ARG A 43 -56.631 1.709 -18.587 1.00 24.93 C ATOM 655 1HD ARG A 43 -56.252 0.806 -18.106 1.00 24.93 H ATOM 656 2HD ARG A 43 -57.559 2.000 -18.093 1.00 24.93 H ATOM 657 NE ARG A 43 -56.914 1.442 -20.006 1.00 24.93 N ATOM 658 HE ARG A 43 -56.331 0.756 -20.453 1.00 24.93 H ATOM 659 CZ ARG A 43 -57.861 2.019 -20.737 1.00 24.93 C ATOM 660 NH1 ARG A 43 -57.993 1.656 -21.982 1.00 24.93 N ATOM 661 1HH1 ARG A 43 -57.395 0.951 -22.372 1.00 24.93 H ATOM 662 2HH1 ARG A 43 -58.693 2.093 -22.554 1.00 24.93 H ATOM 663 NH2 ARG A 43 -58.679 2.939 -20.296 1.00 24.93 N ATOM 664 1HH2 ARG A 43 -58.570 3.309 -19.350 1.00 24.93 H ATOM 665 2HH2 ARG A 43 -59.403 3.313 -20.880 1.00 24.93 H ATOM 666 N PHE A 44 -57.280 6.664 -18.340 1.00 14.57 N ATOM 667 H PHE A 44 -56.464 7.241 -18.195 1.00 14.57 H ATOM 668 CA PHE A 44 -58.463 7.316 -18.908 1.00 14.57 C ATOM 669 HA PHE A 44 -58.208 8.351 -19.118 1.00 14.57 H ATOM 670 C PHE A 44 -59.578 7.348 -17.865 1.00 14.57 C ATOM 671 O PHE A 44 -59.260 7.220 -16.662 1.00 14.57 O ATOM 672 OXT PHE A 44 -60.725 7.662 -18.229 1.00 14.57 O ATOM 673 CB PHE A 44 -58.909 6.685 -20.236 1.00 14.57 C ATOM 674 1HB PHE A 44 -59.154 5.640 -20.071 1.00 14.57 H ATOM 675 2HB PHE A 44 -59.812 7.190 -20.575 1.00 14.57 H ATOM 676 CG PHE A 44 -57.879 6.786 -21.330 1.00 14.57 C ATOM 677 CD1 PHE A 44 -56.857 5.827 -21.454 1.00 14.57 C ATOM 678 HD1 PHE A 44 -56.793 5.016 -20.745 1.00 14.57 H ATOM 679 CD2 PHE A 44 -57.936 7.843 -22.255 1.00 14.57 C ATOM 680 HD2 PHE A 44 -58.717 8.586 -22.173 1.00 14.57 H ATOM 681 CE1 PHE A 44 -55.898 5.916 -22.492 1.00 14.57 C ATOM 682 HE1 PHE A 44 -55.115 5.176 -22.567 1.00 14.57 H ATOM 683 CE2 PHE A 44 -56.986 7.946 -23.304 1.00 14.57 C ATOM 684 HE2 PHE A 44 -57.042 8.763 -24.008 1.00 14.57 H ATOM 685 CZ PHE A 44 -55.959 6.981 -23.417 1.00 14.57 C ATOM 686 HZ PHE A 44 -55.226 7.058 -24.206 1.00 14.57 H TER 687 PHE A 44 CONECT 67 64 366 CONECT 171 168 440 CONECT 356 353 624 CONECT 366 67 363 CONECT 440 171 437 CONECT 624 356 621 END
SEQUENCE	YSRCQLQGFNCVVRSYGLPTIPCCRGLTCRSYFPGSTYGRCQRF
HELICITY	4.50	INSTAB. INDEX	36.33	FLEXIBILITY	13.88
a HYD. MOM.	48.45	b HYD. MOM.	18.58	c HYD. MOM	6.74
a MEAN HYD. MOM.	1.10	b MEAN HYD. MOM.	0.42	c MEAN HYD. MOM.	0.15
CHARGE pH5	6.00	CHARGE pH7	5.73	CHARGE pH9	0.52
Δ CHARGE pH5-pH9	5.48	ISOELECTRIC POINT	9.38	BOMAN INDEX	1.94
ΔG	9	CPP	-0,11	MLP	-1,26
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	Arthropoda	CLASS	Merostomata	ORDER	Xiphosura
FAMILY	Limulidae	GENUS	Tachypleus	SPECIES	Tachypleus tridentatus
DATE	1999
TITLE PAPER	Horseshoe crab hemocyte-derived antimicrobial polypeptides, tachystatins, with sequence similarity to spider neurotoxins.