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\KYYGNGVHCGKHSCTVDW.pdb REMARK YASARA Written on: Wed May 14 11:48:49 2014 REMARK YASARA Number of models: 1 REMARK YASARA Number of atoms: 271 REMARK YASARA Please address questions or suggestions to: Eliza@yasara.org REMARK YASARA COMPND MOL_ID: 1; COMPND 2 MOLECULE: TYPE IIA BACTERIOCIN LEUCOCIN A; COMPND 3 CHAIN: A; SEQRES 1 A 18 LYS TYR TYR GLY ASN GLY VAL HIS CYS GLY LYS HIS SER SEQRES 2 A 18 CYS THR VAL ASP TRP CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 SSBOND 1 CYS A 9 CYS A 14 2.04 ATOM 1 N LYS A 1 3.918 21.791 -27.025 1.00-27.07 N ATOM 2 1H LYS A 1 3.419 21.109 -26.472 1.00-27.07 H ATOM 3 2H LYS A 1 3.248 22.414 -27.463 1.00-27.07 H ATOM 4 3H LYS A 1 4.521 22.335 -26.424 1.00-27.07 H ATOM 5 CA LYS A 1 4.729 21.101 -28.077 1.00-27.07 C ATOM 6 HA LYS A 1 5.457 20.441 -27.608 1.00-27.07 H ATOM 7 C LYS A 1 5.459 22.130 -28.920 1.00-27.07 C ATOM 8 O LYS A 1 4.810 22.822 -29.683 1.00-27.07 O ATOM 9 CB LYS A 1 3.808 20.280 -28.997 1.00-27.07 C ATOM 10 1HB LYS A 1 3.249 19.566 -28.392 1.00-27.07 H ATOM 11 2HB LYS A 1 3.091 20.959 -29.460 1.00-27.07 H ATOM 12 CG LYS A 1 4.536 19.515 -30.116 1.00-27.07 C ATOM 13 1HG LYS A 1 5.205 20.194 -30.646 1.00-27.07 H ATOM 14 2HG LYS A 1 5.127 18.711 -29.678 1.00-27.07 H ATOM 15 CD LYS A 1 3.552 18.937 -31.129 1.00-27.07 C ATOM 16 1HD LYS A 1 2.861 18.258 -30.626 1.00-27.07 H ATOM 17 2HD LYS A 1 2.987 19.760 -31.568 1.00-27.07 H ATOM 18 CE LYS A 1 4.288 18.188 -32.244 1.00-27.07 C ATOM 19 1HE LYS A 1 5.072 18.837 -32.643 1.00-27.07 H ATOM 20 2HE LYS A 1 4.760 17.295 -31.827 1.00-27.07 H ATOM 21 NZ LYS A 1 3.363 17.800 -33.372 1.00-27.07 N ATOM 22 1HZ LYS A 1 3.877 17.294 -34.082 1.00-27.07 H ATOM 23 2HZ LYS A 1 2.965 18.636 -33.789 1.00-27.07 H ATOM 24 3HZ LYS A 1 2.617 17.213 -33.024 1.00-27.07 H ATOM 25 N TYR A 2 6.771 22.253 -28.795 1.00-17.75 N ATOM 26 H TYR A 2 7.306 21.639 -28.203 1.00-17.75 H ATOM 27 CA TYR A 2 7.515 23.253 -29.561 1.00-17.75 C ATOM 28 HA TYR A 2 6.875 24.099 -29.791 1.00-17.75 H ATOM 29 C TYR A 2 7.980 22.632 -30.868 1.00-17.75 C ATOM 30 O TYR A 2 8.111 21.413 -30.942 1.00-17.75 O ATOM 31 CB TYR A 2 8.718 23.746 -28.750 1.00-17.75 C ATOM 32 1HB TYR A 2 9.360 22.897 -28.513 1.00-17.75 H ATOM 33 2HB TYR A 2 9.290 24.450 -29.355 1.00-17.75 H ATOM 34 CG TYR A 2 8.316 24.432 -27.460 1.00-17.75 C ATOM 35 CD1 TYR A 2 8.236 23.711 -26.247 1.00-17.75 C ATOM 36 HD1 TYR A 2 8.518 22.669 -26.219 1.00-17.75 H ATOM 37 CD2 TYR A 2 7.999 25.805 -27.445 1.00-17.75 C ATOM 38 HD2 TYR A 2 8.091 26.395 -28.347 1.00-17.75 H ATOM 39 CE1 TYR A 2 7.799 24.346 -25.051 1.00-17.75 C ATOM 40 HE1 TYR A 2 7.747 23.791 -24.126 1.00-17.75 H ATOM 41 CE2 TYR A 2 7.550 26.437 -26.254 1.00-17.75 C ATOM 42 HE2 TYR A 2 7.295 27.488 -26.255 1.00-17.75 H ATOM 43 CZ TYR A 2 7.451 25.702 -25.072 1.00-17.75 C ATOM 44 OH TYR A 2 7.018 26.319 -23.926 1.00-17.75 O ATOM 45 HH TYR A 2 7.055 25.752 -23.154 1.00-17.75 H ATOM 46 N TYR A 3 8.251 23.468 -31.861 1.00 0.75 N ATOM 47 H TYR A 3 7.980 24.452 -31.786 1.00 0.75 H ATOM 48 CA TYR A 3 8.902 23.047 -33.104 1.00 0.75 C ATOM 49 HA TYR A 3 9.087 21.973 -33.079 1.00 0.75 H ATOM 50 C TYR A 3 10.245 23.766 -33.236 1.00 0.75 C ATOM 51 O TYR A 3 10.877 23.768 -34.285 1.00 0.75 O ATOM 52 CB TYR A 3 8.007 23.363 -34.303 1.00 0.75 C ATOM 53 1HB TYR A 3 7.863 24.440 -34.358 1.00 0.75 H ATOM 54 2HB TYR A 3 8.509 23.036 -35.214 1.00 0.75 H ATOM 55 CG TYR A 3 6.653 22.688 -34.231 1.00 0.75 C ATOM 56 CD1 TYR A 3 5.542 23.359 -33.688 1.00 0.75 C ATOM 57 HD1 TYR A 3 5.658 24.363 -33.318 1.00 0.75 H ATOM 58 CD2 TYR A 3 6.471 21.379 -34.719 1.00 0.75 C ATOM 59 HD2 TYR A 3 7.309 20.845 -35.149 1.00 0.75 H ATOM 60 CE1 TYR A 3 4.271 22.743 -33.629 1.00 0.75 C ATOM 61 HE1 TYR A 3 3.437 23.284 -33.216 1.00 0.75 H ATOM 62 CE2 TYR A 3 5.194 20.756 -34.668 1.00 0.75 C ATOM 63 HE2 TYR A 3 5.063 19.764 -35.071 1.00 0.75 H ATOM 64 CZ TYR A 3 4.109 21.445 -34.118 1.00 0.75 C ATOM 65 OH TYR A 3 2.878 20.838 -34.056 1.00 0.75 O ATOM 66 HH TYR A 3 2.184 21.460 -33.807 1.00 0.75 H ATOM 67 N GLY A 4 10.654 24.420 -32.157 1.00 2.67 N ATOM 68 H GLY A 4 10.061 24.448 -31.348 1.00 2.67 H ATOM 69 CA GLY A 4 11.952 25.077 -32.077 1.00 2.67 C ATOM 70 1HA GLY A 4 12.220 25.183 -31.026 1.00 2.67 H ATOM 71 2HA GLY A 4 12.698 24.437 -32.548 1.00 2.67 H ATOM 72 C GLY A 4 12.046 26.447 -32.721 1.00 2.67 C ATOM 73 O GLY A 4 12.510 27.391 -32.099 1.00 2.67 O ATOM 74 N ASN A 5 11.566 26.582 -33.947 1.00 15.44 N ATOM 75 H ASN A 5 11.162 25.766 -34.398 1.00 15.44 H ATOM 76 CA ASN A 5 11.643 27.843 -34.690 1.00 15.44 C ATOM 77 HA ASN A 5 12.574 28.349 -34.421 1.00 15.44 H ATOM 78 C ASN A 5 10.488 28.796 -34.359 1.00 15.44 C ATOM 79 O ASN A 5 9.713 29.169 -35.235 1.00 15.44 O ATOM 80 CB ASN A 5 11.676 27.538 -36.194 1.00 15.44 C ATOM 81 1HB ASN A 5 12.401 26.747 -36.377 1.00 15.44 H ATOM 82 2HB ASN A 5 10.695 27.193 -36.515 1.00 15.44 H ATOM 83 CG ASN A 5 12.076 28.739 -37.018 1.00 15.44 C ATOM 84 OD1 ASN A 5 13.095 29.355 -36.773 1.00 15.44 O ATOM 85 ND2 ASN A 5 11.296 29.065 -38.012 1.00 15.44 N ATOM 86 1HD2 ASN A 5 11.563 29.845 -38.585 1.00 15.44 H ATOM 87 2HD2 ASN A 5 10.444 28.560 -38.171 1.00 15.44 H ATOM 88 N GLY A 6 10.302 29.096 -33.081 1.00 25.19 N ATOM 89 H GLY A 6 10.949 28.725 -32.389 1.00 25.19 H ATOM 90 CA GLY A 6 9.235 29.980 -32.618 1.00 25.19 C ATOM 91 1HA GLY A 6 9.486 30.320 -31.613 1.00 25.19 H ATOM 92 2HA GLY A 6 9.220 30.856 -33.265 1.00 25.19 H ATOM 93 C GLY A 6 7.822 29.421 -32.581 1.00 25.19 C ATOM 94 O GLY A 6 6.988 29.799 -31.756 1.00 25.19 O ATOM 95 N VAL A 7 7.531 28.520 -33.506 1.00 -3.86 N ATOM 96 H VAL A 7 8.242 28.287 -34.185 1.00 -3.86 H ATOM 97 CA VAL A 7 6.223 27.886 -33.603 1.00 -3.86 C ATOM 98 HA VAL A 7 5.455 28.654 -33.538 1.00 -3.86 H ATOM 99 C VAL A 7 6.078 26.907 -32.442 1.00 -3.86 C ATOM 100 O VAL A 7 6.985 26.094 -32.186 1.00 -3.86 O ATOM 101 CB VAL A 7 6.062 27.111 -34.948 1.00 -3.86 C ATOM 102 HB VAL A 7 6.716 26.244 -34.928 1.00 -3.86 H ATOM 103 CG1 VAL A 7 4.612 26.634 -35.150 1.00 -3.86 C ATOM 104 1HG1 VAL A 7 4.530 26.090 -36.092 1.00 -3.86 H ATOM 105 2HG1 VAL A 7 3.934 27.489 -35.168 1.00 -3.86 H ATOM 106 3HG1 VAL A 7 4.316 25.969 -34.343 1.00 -3.86 H ATOM 107 CG2 VAL A 7 6.486 27.974 -36.152 1.00 -3.86 C ATOM 108 1HG2 VAL A 7 6.252 27.453 -37.081 1.00 -3.86 H ATOM 109 2HG2 VAL A 7 7.559 28.152 -36.129 1.00 -3.86 H ATOM 110 3HG2 VAL A 7 5.967 28.929 -36.139 1.00 -3.86 H ATOM 111 N HIS A 8 4.936 26.922 -31.772 1.00 7.40 N ATOM 112 H HIS A 8 4.235 27.644 -31.964 1.00 7.40 H ATOM 113 CA HIS A 8 4.595 25.869 -30.824 1.00 7.40 C ATOM 114 HA HIS A 8 5.029 24.940 -31.186 1.00 7.40 H ATOM 115 C HIS A 8 3.090 25.686 -30.770 1.00 7.40 C ATOM 116 O HIS A 8 2.343 26.545 -31.214 1.00 7.40 O ATOM 117 CB HIS A 8 5.180 26.143 -29.432 1.00 7.40 C ATOM 118 1HB HIS A 8 5.123 25.232 -28.841 1.00 7.40 H ATOM 119 2HB HIS A 8 6.227 26.413 -29.548 1.00 7.40 H ATOM 120 CG HIS A 8 4.494 27.215 -28.651 1.00 7.40 C ATOM 121 ND1 HIS A 8 3.467 26.944 -27.768 1.00 7.40 N ATOM 122 CD2 HIS A 8 4.765 28.545 -28.561 1.00 7.40 C ATOM 123 HD2 HIS A 8 5.521 29.057 -29.143 1.00 7.40 H ATOM 124 CE1 HIS A 8 3.195 28.132 -27.148 1.00 7.40 C ATOM 125 HE1 HIS A 8 2.443 28.257 -26.383 1.00 7.40 H ATOM 126 NE2 HIS A 8 3.971 29.137 -27.615 1.00 7.40 N ATOM 127 HE2 HIS A 8 3.959 30.124 -27.332 1.00 7.40 H ATOM 128 N CYS A 9 2.647 24.560 -30.237 1.00 12.61 N ATOM 129 H CYS A 9 3.319 23.866 -29.935 1.00 12.61 H ATOM 130 CA CYS A 9 1.236 24.340 -29.964 1.00 12.61 C ATOM 131 HA CYS A 9 0.665 25.176 -30.338 1.00 12.61 H ATOM 132 C CYS A 9 1.077 24.329 -28.452 1.00 12.61 C ATOM 133 O CYS A 9 1.809 23.626 -27.736 1.00 12.61 O ATOM 134 CB CYS A 9 0.712 23.063 -30.624 1.00 12.61 C ATOM 135 1HB CYS A 9 1.257 22.214 -30.217 1.00 12.61 H ATOM 136 2HB CYS A 9 -0.345 22.947 -30.373 1.00 12.61 H ATOM 137 SG CYS A 9 0.882 23.054 -32.441 1.00 12.61 S ATOM 138 N GLY A 10 0.145 25.149 -27.999 1.00 22.61 N ATOM 139 H GLY A 10 -0.453 25.639 -28.673 1.00 22.61 H ATOM 140 CA GLY A 10 -0.064 25.475 -26.601 1.00 22.61 C ATOM 141 1HA GLY A 10 -0.424 24.613 -26.039 1.00 22.61 H ATOM 142 2HA GLY A 10 0.848 25.886 -26.168 1.00 22.61 H ATOM 143 C GLY A 10 -1.129 26.547 -26.712 1.00 22.61 C ATOM 144 O GLY A 10 -1.535 26.804 -27.837 1.00 22.61 O ATOM 145 N LYS A 11 -1.629 27.119 -25.619 1.00 -5.19 N ATOM 146 H LYS A 11 -1.248 26.866 -24.720 1.00 -5.19 H ATOM 147 CA LYS A 11 -2.752 28.089 -25.649 1.00 -5.19 C ATOM 148 HA LYS A 11 -2.994 28.359 -24.622 1.00 -5.19 H ATOM 149 C LYS A 11 -4.016 27.493 -26.286 1.00 -5.19 C ATOM 150 O LYS A 11 -4.834 28.221 -26.832 1.00 -5.19 O ATOM 151 CB LYS A 11 -2.399 29.386 -26.410 1.00 -5.19 C ATOM 152 1HB LYS A 11 -2.322 29.145 -27.470 1.00 -5.19 H ATOM 153 2HB LYS A 11 -3.221 30.093 -26.295 1.00 -5.19 H ATOM 154 CG LYS A 11 -1.111 30.088 -26.007 1.00 -5.19 C ATOM 155 1HG LYS A 11 -1.177 30.424 -24.972 1.00 -5.19 H ATOM 156 2HG LYS A 11 -0.273 29.401 -26.115 1.00 -5.19 H ATOM 157 CD LYS A 11 -0.888 31.279 -26.933 1.00 -5.19 C ATOM 158 1HD LYS A 11 -0.917 30.925 -27.964 1.00 -5.19 H ATOM 159 2HD LYS A 11 -1.684 32.011 -26.789 1.00 -5.19 H ATOM 160 CE LYS A 11 0.461 31.929 -26.683 1.00 -5.19 C ATOM 161 1HE LYS A 11 0.488 32.354 -25.678 1.00 -5.19 H ATOM 162 2HE LYS A 11 1.235 31.160 -26.749 1.00 -5.19 H ATOM 163 NZ LYS A 11 0.780 32.991 -27.694 1.00 -5.19 N ATOM 164 1HZ LYS A 11 1.769 33.224 -27.627 1.00 -5.19 H ATOM 165 2HZ LYS A 11 0.219 33.815 -27.551 1.00 -5.19 H ATOM 166 3HZ LYS A 11 0.641 32.633 -28.633 1.00 -5.19 H ATOM 167 N HIS A 12 -4.117 26.169 -26.241 1.00-24.21 N ATOM 168 H HIS A 12 -3.408 25.660 -25.750 1.00-24.21 H ATOM 169 CA HIS A 12 -5.181 25.375 -26.877 1.00-24.21 C ATOM 170 HA HIS A 12 -4.943 24.326 -26.708 1.00-24.21 H ATOM 171 C HIS A 12 -5.283 25.566 -28.394 1.00-24.21 C ATOM 172 O HIS A 12 -6.350 25.411 -28.977 1.00-24.21 O ATOM 173 CB HIS A 12 -6.536 25.630 -26.205 1.00-24.21 C ATOM 174 1HB HIS A 12 -6.914 26.601 -26.523 1.00-24.21 H ATOM 175 2HB HIS A 12 -7.237 24.861 -26.532 1.00-24.21 H ATOM 176 CG HIS A 12 -6.468 25.617 -24.710 1.00-24.21 C ATOM 177 ND1 HIS A 12 -6.075 24.507 -23.990 1.00-24.21 N ATOM 178 CD2 HIS A 12 -6.735 26.605 -23.812 1.00-24.21 C ATOM 179 HD2 HIS A 12 -7.058 27.601 -24.086 1.00-24.21 H ATOM 180 CE1 HIS A 12 -6.155 24.871 -22.676 1.00-24.21 C ATOM 181 HE1 HIS A 12 -5.929 24.206 -21.853 1.00-24.21 H ATOM 182 NE2 HIS A 12 -6.551 26.160 -22.527 1.00-24.21 N ATOM 183 HE2 HIS A 12 -6.691 26.668 -21.665 1.00-24.21 H ATOM 184 N SER A 13 -4.173 25.916 -29.026 1.00 -4.40 N ATOM 185 H SER A 13 -3.303 26.020 -28.516 1.00 -4.40 H ATOM 186 CA SER A 13 -4.119 26.192 -30.460 1.00 -4.40 C ATOM 187 HA SER A 13 -4.809 25.543 -31.000 1.00 -4.40 H ATOM 188 C SER A 13 -2.681 25.910 -30.891 1.00 -4.40 C ATOM 189 O SER A 13 -1.932 25.266 -30.153 1.00 -4.40 O ATOM 190 CB SER A 13 -4.495 27.659 -30.705 1.00 -4.40 C ATOM 191 1HB SER A 13 -5.416 27.878 -30.164 1.00 -4.40 H ATOM 192 2HB SER A 13 -3.701 28.303 -30.325 1.00 -4.40 H ATOM 193 OG SER A 13 -4.706 27.921 -32.086 1.00 -4.40 O ATOM 194 HG SER A 13 -5.011 28.829 -32.182 1.00 -4.40 H ATOM 195 N CYS A 14 -2.265 26.443 -32.029 1.00-15.45 N ATOM 196 H CYS A 14 -2.931 26.937 -32.615 1.00-15.45 H ATOM 197 CA CYS A 14 -0.856 26.516 -32.395 1.00-15.45 C ATOM 198 HA CYS A 14 -0.246 26.244 -31.548 1.00-15.45 H ATOM 199 C CYS A 14 -0.607 27.990 -32.696 1.00-15.45 C ATOM 200 O CYS A 14 -1.529 28.704 -33.086 1.00-15.45 O ATOM 201 CB CYS A 14 -0.524 25.588 -33.564 1.00-15.45 C ATOM 202 1HB CYS A 14 -1.138 25.883 -34.415 1.00-15.45 H ATOM 203 2HB CYS A 14 0.524 25.715 -33.834 1.00-15.45 H ATOM 204 SG CYS A 14 -0.841 23.823 -33.203 1.00-15.45 S ATOM 205 N THR A 15 0.595 28.458 -32.407 1.00 10.71 N ATOM 206 H THR A 15 1.345 27.812 -32.152 1.00 10.71 H ATOM 207 CA THR A 15 0.905 29.881 -32.316 1.00 10.71 C ATOM 208 HA THR A 15 0.307 30.455 -33.024 1.00 10.71 H ATOM 209 C THR A 15 2.382 30.011 -32.670 1.00 10.71 C ATOM 210 O THR A 15 3.097 29.006 -32.692 1.00 10.71 O ATOM 211 CB THR A 15 0.605 30.368 -30.864 1.00 10.71 C ATOM 212 HB THR A 15 -0.443 30.158 -30.648 1.00 10.71 H ATOM 213 OG1 THR A 15 0.822 31.777 -30.727 1.00 10.71 O ATOM 214 HG1 THR A 15 1.738 31.928 -30.409 1.00 10.71 H ATOM 215 CG2 THR A 15 1.446 29.655 -29.827 1.00 10.71 C ATOM 216 1HG2 THR A 15 1.233 30.060 -28.845 1.00 10.71 H ATOM 217 2HG2 THR A 15 2.508 29.798 -30.037 1.00 10.71 H ATOM 218 3HG2 THR A 15 1.220 28.588 -29.821 1.00 10.71 H ATOM 219 N VAL A 16 2.848 31.219 -32.947 1.00 14.85 N ATOM 220 H VAL A 16 2.233 32.021 -32.936 1.00 14.85 H ATOM 221 CA VAL A 16 4.268 31.466 -33.179 1.00 14.85 C ATOM 222 HA VAL A 16 4.837 30.569 -32.954 1.00 14.85 H ATOM 223 C VAL A 16 4.607 32.554 -32.178 1.00 14.85 C ATOM 224 O VAL A 16 4.073 33.658 -32.276 1.00 14.85 O ATOM 225 CB VAL A 16 4.584 31.920 -34.629 1.00 14.85 C ATOM 226 HB VAL A 16 4.167 32.913 -34.793 1.00 14.85 H ATOM 227 CG1 VAL A 16 6.100 31.969 -34.852 1.00 14.85 C ATOM 228 1HG1 VAL A 16 6.313 32.334 -35.856 1.00 14.85 H ATOM 229 2HG1 VAL A 16 6.538 30.981 -34.726 1.00 14.85 H ATOM 230 3HG1 VAL A 16 6.556 32.658 -34.139 1.00 14.85 H ATOM 231 CG2 VAL A 16 3.931 30.972 -35.649 1.00 14.85 C ATOM 232 1HG2 VAL A 16 4.292 31.199 -36.653 1.00 14.85 H ATOM 233 2HG2 VAL A 16 2.850 31.108 -35.636 1.00 14.85 H ATOM 234 3HG2 VAL A 16 4.159 29.937 -35.401 1.00 14.85 H ATOM 235 N ASP A 17 5.405 32.210 -31.179 1.00 17.12 N ATOM 236 H ASP A 17 5.811 31.276 -31.148 1.00 17.12 H ATOM 237 CA ASP A 17 5.687 33.131 -30.073 1.00 17.12 C ATOM 238 HA ASP A 17 5.036 34.000 -30.152 1.00 17.12 H ATOM 239 C ASP A 17 7.124 33.636 -30.160 1.00 17.12 C ATOM 240 O ASP A 17 7.531 34.489 -29.372 1.00 17.12 O ATOM 241 CB ASP A 17 5.416 32.469 -28.718 1.00 17.12 C ATOM 242 1HB ASP A 17 5.899 31.492 -28.691 1.00 17.12 H ATOM 243 2HB ASP A 17 5.847 33.090 -27.933 1.00 17.12 H ATOM 244 CG ASP A 17 3.929 32.312 -28.418 1.00 17.12 C ATOM 245 OD1 ASP A 17 3.055 32.546 -29.283 1.00 17.12 O ATOM 246 OD2 ASP A 17 3.593 31.931 -27.272 1.00 17.12 O ATOM 247 N TRP A 18 7.811 33.141 -31.185 1.00 -9.78 N ATOM 248 H TRP A 18 7.367 32.429 -31.728 1.00 -9.78 H ATOM 249 CA TRP A 18 9.168 33.540 -31.591 1.00 -9.78 C ATOM 250 HA TRP A 18 9.420 32.958 -32.471 1.00 -9.78 H ATOM 251 C TRP A 18 10.247 33.209 -30.559 1.00 -9.78 C ATOM 252 O TRP A 18 10.158 32.081 -30.025 1.00 -9.78 O ATOM 253 OXT TRP A 18 11.207 33.989 -30.384 1.00 -9.78 O ATOM 254 CB TRP A 18 9.192 35.011 -32.032 1.00 -9.78 C ATOM 255 1HB TRP A 18 9.115 35.648 -31.152 1.00 -9.78 H ATOM 256 2HB TRP A 18 10.140 35.218 -32.528 1.00 -9.78 H ATOM 257 CG TRP A 18 8.055 35.331 -32.969 1.00 -9.78 C ATOM 258 CD1 TRP A 18 6.837 35.829 -32.632 1.00 -9.78 C ATOM 259 HD1 TRP A 18 6.555 36.074 -31.615 1.00 -9.78 H ATOM 260 CD2 TRP A 18 8.005 35.136 -34.395 1.00 -9.78 C ATOM 261 NE1 TRP A 18 6.017 35.936 -33.719 1.00 -9.78 N ATOM 262 HE1 TRP A 18 5.055 36.236 -33.671 1.00 -9.78 H ATOM 263 CE2 TRP A 18 6.706 35.535 -34.829 1.00 -9.78 C ATOM 264 CE3 TRP A 18 8.913 34.633 -35.349 1.00 -9.78 C ATOM 265 HE3 TRP A 18 9.898 34.310 -35.043 1.00 -9.78 H ATOM 266 CZ2 TRP A 18 6.302 35.449 -36.178 1.00 -9.78 C ATOM 267 HZ2 TRP A 18 5.308 35.747 -36.475 1.00 -9.78 H ATOM 268 CZ3 TRP A 18 8.512 34.548 -36.710 1.00 -9.78 C ATOM 269 HZ3 TRP A 18 9.202 34.167 -37.448 1.00 -9.78 H ATOM 270 CH2 TRP A 18 7.206 34.964 -37.107 1.00 -9.78 C ATOM 271 HH2 TRP A 18 6.917 34.892 -38.145 1.00 -9.78 H TER 272 TRP A 18 CONECT 137 134 204 CONECT 204 137 201 END