HETATM 1 C ACE A 0 -6.160 -5.165 1.316 1.00 0.00 C HETATM 2 O ACE A 0 -6.641 -5.585 2.360 1.00 0.00 O HETATM 3 CH3 ACE A 0 -5.842 -6.146 0.194 1.00 0.00 C HETATM 4 H1 ACE A 0 -6.048 -7.182 0.516 1.00 0.00 H HETATM 5 H2 ACE A 0 -6.463 -5.943 -0.695 1.00 0.00 H HETATM 6 H3 ACE A 0 -4.778 -6.091 -0.096 1.00 0.00 H ATOM 7 N CYS A 1 -5.926 -3.859 1.237 1.00 0.00 N ATOM 8 CA CYS A 1 -5.278 -3.184 0.052 1.00 0.00 C ATOM 9 C CYS A 1 -3.705 -3.114 0.027 1.00 0.00 C ATOM 10 O CYS A 1 -3.179 -2.742 -1.027 1.00 0.00 O ATOM 11 CB CYS A 1 -5.916 -1.771 -0.032 1.00 0.00 C ATOM 12 SG CYS A 1 -7.481 -1.801 -0.932 1.00 0.00 S ATOM 13 H CYS A 1 -6.141 -3.402 2.147 1.00 0.00 H ATOM 14 HA CYS A 1 -5.514 -3.691 -0.929 1.00 0.00 H ATOM 15 HB2 CYS A 1 -6.058 -1.281 0.952 1.00 0.00 H ATOM 16 HB3 CYS A 1 -5.274 -1.072 -0.595 1.00 0.00 H ATOM 17 N GLY A 2 -2.924 -3.456 1.079 1.00 0.00 N ATOM 18 CA GLY A 2 -1.474 -3.168 1.086 1.00 0.00 C ATOM 19 C GLY A 2 -0.865 -3.000 2.491 1.00 0.00 C ATOM 20 O GLY A 2 -0.897 -1.901 3.038 1.00 0.00 O ATOM 21 H GLY A 2 -3.367 -3.878 1.901 1.00 0.00 H ATOM 22 HA2 GLY A 2 -0.939 -3.930 0.493 1.00 0.00 H ATOM 23 HA3 GLY A 2 -1.290 -2.218 0.541 1.00 0.00 H ATOM 24 N ALA A 3 -0.276 -4.049 3.089 1.00 0.00 N ATOM 25 CA ALA A 3 0.548 -3.879 4.322 1.00 0.00 C ATOM 26 C ALA A 3 1.944 -3.203 4.099 1.00 0.00 C ATOM 27 O ALA A 3 2.408 -2.470 4.972 1.00 0.00 O ATOM 28 CB ALA A 3 0.642 -5.250 4.974 1.00 0.00 C ATOM 29 H ALA A 3 -0.422 -4.976 2.685 1.00 0.00 H ATOM 30 HA ALA A 3 0.006 -3.214 5.030 1.00 0.00 H ATOM 31 HB1 ALA A 3 1.183 -5.960 4.324 1.00 0.00 H ATOM 32 HB2 ALA A 3 -0.364 -5.648 5.195 1.00 0.00 H ATOM 33 HB3 ALA A 3 1.192 -5.165 5.927 1.00 0.00 H ATOM 34 N GLU A 4 2.614 -3.427 2.955 1.00 0.00 N ATOM 35 CA GLU A 4 3.779 -2.596 2.532 1.00 0.00 C ATOM 36 C GLU A 4 3.393 -1.088 2.258 1.00 0.00 C ATOM 37 O GLU A 4 4.096 -0.165 2.680 1.00 0.00 O ATOM 38 CB GLU A 4 4.442 -3.266 1.339 1.00 0.00 C ATOM 39 CG GLU A 4 5.227 -4.569 1.664 1.00 0.00 C ATOM 40 CD GLU A 4 6.283 -4.925 0.649 1.00 0.00 C ATOM 41 OE1 GLU A 4 7.439 -4.487 0.822 1.00 0.00 O ATOM 42 OE2 GLU A 4 5.971 -5.669 -0.300 1.00 0.00 O ATOM 43 H GLU A 4 2.305 -4.229 2.393 1.00 0.00 H ATOM 44 HA GLU A 4 4.557 -2.613 3.300 1.00 0.00 H ATOM 45 HB2 GLU A 4 3.676 -3.431 0.563 1.00 0.00 H ATOM 46 HB3 GLU A 4 5.148 -2.512 0.954 1.00 0.00 H ATOM 47 HG2 GLU A 4 5.761 -4.493 2.626 1.00 0.00 H ATOM 48 HG3 GLU A 4 4.554 -5.436 1.757 1.00 0.00 H ATOM 49 N ALA A 5 2.243 -0.844 1.588 1.00 0.00 N ATOM 50 CA ALA A 5 1.599 0.504 1.524 1.00 0.00 C ATOM 51 C ALA A 5 1.330 1.116 2.937 1.00 0.00 C ATOM 52 O ALA A 5 1.677 2.275 3.121 1.00 0.00 O ATOM 53 CB ALA A 5 0.253 0.330 0.810 1.00 0.00 C ATOM 54 H ALA A 5 1.769 -1.737 1.378 1.00 0.00 H ATOM 55 HA ALA A 5 2.209 1.252 0.943 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.433 -0.303 1.396 1.00 0.00 H ATOM 57 HB2 ALA A 5 -0.271 1.293 0.724 1.00 0.00 H ATOM 58 HB3 ALA A 5 0.359 -0.124 -0.187 1.00 0.00 H ATOM 59 N ALA A 6 0.735 0.387 3.906 1.00 0.00 N ATOM 60 CA ALA A 6 0.664 0.817 5.331 1.00 0.00 C ATOM 61 C ALA A 6 2.045 1.085 6.042 1.00 0.00 C ATOM 62 O ALA A 6 2.171 2.072 6.770 1.00 0.00 O ATOM 63 CB ALA A 6 -0.019 -0.350 6.027 1.00 0.00 C ATOM 64 H ALA A 6 0.437 -0.569 3.627 1.00 0.00 H ATOM 65 HA ALA A 6 -0.021 1.704 5.436 1.00 0.00 H ATOM 66 HB1 ALA A 6 -0.194 -0.099 7.084 1.00 0.00 H ATOM 67 HB2 ALA A 6 0.632 -1.242 6.017 1.00 0.00 H ATOM 68 HB3 ALA A 6 -0.976 -0.611 5.546 1.00 0.00 H ATOM 69 N LYS A 7 3.077 0.233 5.822 1.00 0.00 N ATOM 70 CA LYS A 7 4.487 0.510 6.248 1.00 0.00 C ATOM 71 C LYS A 7 5.071 1.854 5.658 1.00 0.00 C ATOM 72 O LYS A 7 5.685 2.638 6.388 1.00 0.00 O ATOM 73 CB LYS A 7 5.280 -0.788 5.888 1.00 0.00 C ATOM 74 CG LYS A 7 6.463 -1.193 6.789 1.00 0.00 C ATOM 75 CD LYS A 7 7.753 -0.369 6.587 1.00 0.00 C ATOM 76 CE LYS A 7 9.015 -1.036 7.172 1.00 0.00 C ATOM 77 NZ LYS A 7 8.970 -1.064 8.667 1.00 0.00 N ATOM 78 H LYS A 7 2.830 -0.637 5.302 1.00 0.00 H ATOM 79 HA LYS A 7 4.477 0.651 7.353 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.604 -1.668 5.925 1.00 0.00 H ATOM 81 HB3 LYS A 7 5.585 -0.762 4.823 1.00 0.00 H ATOM 82 HG2 LYS A 7 6.136 -1.184 7.848 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.677 -2.261 6.568 1.00 0.00 H ATOM 84 HD2 LYS A 7 7.912 -0.236 5.496 1.00 0.00 H ATOM 85 HD3 LYS A 7 7.614 0.664 6.969 1.00 0.00 H ATOM 86 HE2 LYS A 7 9.131 -2.062 6.745 1.00 0.00 H ATOM 87 HE3 LYS A 7 9.920 -0.496 6.809 1.00 0.00 H ATOM 88 HZ1 LYS A 7 9.793 -1.501 9.106 1.00 0.00 H ATOM 89 HZ2 LYS A 7 8.159 -1.590 9.020 1.00 0.00 H ATOM 90 HZ3 LYS A 7 8.882 -0.128 9.086 1.00 0.00 H ATOM 91 N ALA A 8 4.843 2.130 4.358 1.00 0.00 N ATOM 92 CA ALA A 8 5.056 3.463 3.743 1.00 0.00 C ATOM 93 C ALA A 8 4.170 4.616 4.334 1.00 0.00 C ATOM 94 O ALA A 8 4.673 5.716 4.541 1.00 0.00 O ATOM 95 CB ALA A 8 4.727 3.339 2.268 1.00 0.00 C ATOM 96 H ALA A 8 4.488 1.334 3.813 1.00 0.00 H ATOM 97 HA ALA A 8 6.126 3.723 3.755 1.00 0.00 H ATOM 98 HB1 ALA A 8 4.943 4.307 1.779 1.00 0.00 H ATOM 99 HB2 ALA A 8 3.659 3.115 2.127 1.00 0.00 H ATOM 100 HB3 ALA A 8 5.333 2.547 1.805 1.00 0.00 H ATOM 101 N HIS A 9 2.859 4.380 4.575 1.00 0.00 N ATOM 102 CA HIS A 9 1.971 5.307 5.334 1.00 0.00 C ATOM 103 C HIS A 9 2.529 5.694 6.749 1.00 0.00 C ATOM 104 O HIS A 9 2.750 6.889 6.933 1.00 0.00 O ATOM 105 CB HIS A 9 0.541 4.702 5.244 1.00 0.00 C ATOM 106 CG HIS A 9 -0.162 4.479 3.879 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.048 3.411 3.677 1.00 0.00 N ATOM 108 CD2 HIS A 9 0.066 5.131 2.679 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.387 3.541 2.316 1.00 0.00 C ATOM 110 NE2 HIS A 9 -0.756 4.600 1.754 1.00 0.00 N ATOM 111 H HIS A 9 2.527 3.426 4.318 1.00 0.00 H ATOM 112 HA HIS A 9 1.964 6.297 4.849 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.596 3.730 5.763 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.123 5.314 5.866 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.553 2.844 4.371 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.772 5.922 2.484 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.066 2.832 1.836 1.00 0.00 H ATOM 118 N ALA A 10 2.847 4.765 7.678 1.00 0.00 N ATOM 119 CA ALA A 10 3.659 5.065 8.889 1.00 0.00 C ATOM 120 C ALA A 10 5.017 5.827 8.655 1.00 0.00 C ATOM 121 O ALA A 10 5.235 6.887 9.248 1.00 0.00 O ATOM 122 CB ALA A 10 3.872 3.658 9.499 1.00 0.00 C ATOM 123 H ALA A 10 2.211 3.965 7.788 1.00 0.00 H ATOM 124 HA ALA A 10 3.066 5.684 9.586 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.428 2.986 8.813 1.00 0.00 H ATOM 126 HB2 ALA A 10 4.462 3.712 10.432 1.00 0.00 H ATOM 127 HB3 ALA A 10 2.922 3.148 9.745 1.00 0.00 H ATOM 128 N LYS A 11 5.885 5.324 7.746 1.00 0.00 N ATOM 129 CA LYS A 11 7.155 6.035 7.357 1.00 0.00 C ATOM 130 C LYS A 11 6.994 7.542 6.934 1.00 0.00 C ATOM 131 O LYS A 11 7.690 8.436 7.435 1.00 0.00 O ATOM 132 CB LYS A 11 7.842 5.124 6.290 1.00 0.00 C ATOM 133 CG LYS A 11 9.194 5.613 5.698 1.00 0.00 C ATOM 134 CD LYS A 11 9.084 6.339 4.333 1.00 0.00 C ATOM 135 CE LYS A 11 8.927 5.407 3.112 1.00 0.00 C ATOM 136 NZ LYS A 11 8.841 6.249 1.887 1.00 0.00 N ATOM 137 H LYS A 11 5.405 4.635 7.136 1.00 0.00 H ATOM 138 HA LYS A 11 7.806 6.063 8.254 1.00 0.00 H ATOM 139 HB2 LYS A 11 8.001 4.129 6.748 1.00 0.00 H ATOM 140 HB3 LYS A 11 7.122 4.931 5.471 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.675 6.300 6.426 1.00 0.00 H ATOM 142 HG3 LYS A 11 9.909 4.771 5.620 1.00 0.00 H ATOM 143 HD2 LYS A 11 8.248 7.071 4.364 1.00 0.00 H ATOM 144 HD3 LYS A 11 9.987 6.972 4.211 1.00 0.00 H ATOM 145 HE2 LYS A 11 9.774 4.689 3.052 1.00 0.00 H ATOM 146 HE3 LYS A 11 8.008 4.792 3.208 1.00 0.00 H ATOM 147 HZ1 LYS A 11 9.306 7.165 1.900 1.00 0.00 H ATOM 148 HZ2 LYS A 11 9.006 5.807 0.978 1.00 0.00 H ATOM 149 HZ3 LYS A 11 7.853 6.595 1.711 1.00 0.00 H ATOM 150 N ALA A 12 6.050 7.787 6.016 1.00 0.00 N ATOM 151 CA ALA A 12 5.579 9.135 5.669 1.00 0.00 C ATOM 152 C ALA A 12 4.893 9.850 6.884 1.00 0.00 C ATOM 153 O ALA A 12 5.542 10.696 7.455 1.00 0.00 O ATOM 154 CB ALA A 12 4.754 8.954 4.385 1.00 0.00 C ATOM 155 H ALA A 12 5.535 6.947 5.726 1.00 0.00 H ATOM 156 HA ALA A 12 6.462 9.746 5.398 1.00 0.00 H ATOM 157 HB1 ALA A 12 4.484 9.927 3.949 1.00 0.00 H ATOM 158 HB2 ALA A 12 3.826 8.379 4.562 1.00 0.00 H ATOM 159 HB3 ALA A 12 5.336 8.425 3.604 1.00 0.00 H ATOM 160 N ALA A 13 3.681 9.553 7.349 1.00 0.00 N ATOM 161 CA ALA A 13 3.082 10.064 8.641 1.00 0.00 C ATOM 162 C ALA A 13 3.990 10.468 9.869 1.00 0.00 C ATOM 163 O ALA A 13 3.665 11.392 10.616 1.00 0.00 O ATOM 164 CB ALA A 13 2.031 9.002 8.987 1.00 0.00 C ATOM 165 H ALA A 13 3.160 9.008 6.671 1.00 0.00 H ATOM 166 HA ALA A 13 2.531 10.991 8.421 1.00 0.00 H ATOM 167 HB1 ALA A 13 1.331 8.825 8.146 1.00 0.00 H ATOM 168 HB2 ALA A 13 2.518 8.037 9.223 1.00 0.00 H ATOM 169 HB3 ALA A 13 1.433 9.302 9.861 1.00 0.00 H ATOM 170 N GLU A 14 5.105 9.753 10.016 1.00 0.00 N ATOM 171 CA GLU A 14 6.240 10.131 10.912 1.00 0.00 C ATOM 172 C GLU A 14 7.121 11.311 10.308 1.00 0.00 C ATOM 173 O GLU A 14 7.145 12.405 10.879 1.00 0.00 O ATOM 174 CB GLU A 14 7.026 8.818 11.206 1.00 0.00 C ATOM 175 CG GLU A 14 8.093 8.888 12.335 1.00 0.00 C ATOM 176 CD GLU A 14 7.592 8.624 13.745 1.00 0.00 C ATOM 177 OE1 GLU A 14 7.407 7.441 14.098 1.00 0.00 O ATOM 178 OE2 GLU A 14 7.426 9.590 14.516 1.00 0.00 O ATOM 179 H GLU A 14 5.161 9.137 9.189 1.00 0.00 H ATOM 180 HA GLU A 14 5.832 10.490 11.879 1.00 0.00 H ATOM 181 HB2 GLU A 14 6.320 7.999 11.458 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.512 8.474 10.273 1.00 0.00 H ATOM 183 HG2 GLU A 14 8.873 8.130 12.162 1.00 0.00 H ATOM 184 HG3 GLU A 14 8.618 9.859 12.343 1.00 0.00 H ATOM 185 N ALA A 15 7.828 11.132 9.160 1.00 0.00 N ATOM 186 CA ALA A 15 8.547 12.251 8.454 1.00 0.00 C ATOM 187 C ALA A 15 7.750 13.058 7.343 1.00 0.00 C ATOM 188 O ALA A 15 7.688 14.289 7.375 1.00 0.00 O ATOM 189 CB ALA A 15 9.865 11.632 7.942 1.00 0.00 C ATOM 190 H ALA A 15 7.750 10.167 8.797 1.00 0.00 H ATOM 191 HA ALA A 15 8.834 13.016 9.203 1.00 0.00 H ATOM 192 HB1 ALA A 15 10.504 12.394 7.461 1.00 0.00 H ATOM 193 HB2 ALA A 15 9.688 10.829 7.202 1.00 0.00 H ATOM 194 HB3 ALA A 15 10.455 11.196 8.770 1.00 0.00 H ATOM 195 N GLY A 16 7.231 12.368 6.314 1.00 0.00 N ATOM 196 CA GLY A 16 6.246 12.910 5.332 1.00 0.00 C ATOM 197 C GLY A 16 4.773 13.032 5.802 1.00 0.00 C ATOM 198 O GLY A 16 4.459 13.691 6.793 1.00 0.00 O ATOM 199 H GLY A 16 7.100 11.406 6.647 1.00 0.00 H ATOM 200 HA2 GLY A 16 6.545 13.881 4.942 1.00 0.00 H ATOM 201 HA3 GLY A 16 6.256 12.180 4.496 1.00 0.00 H ATOM 202 N CYS A 17 3.863 12.373 5.064 1.00 0.00 N ATOM 203 CA CYS A 17 2.468 12.170 5.513 1.00 0.00 C ATOM 204 C CYS A 17 1.910 10.873 4.895 1.00 0.00 C ATOM 205 O CYS A 17 1.226 10.026 5.476 1.00 0.00 O ATOM 206 CB CYS A 17 1.613 13.365 5.032 1.00 0.00 C ATOM 207 SG CYS A 17 1.371 13.263 3.233 1.00 0.00 S ATOM 208 H CYS A 17 4.218 12.017 4.176 1.00 0.00 H ATOM 209 HA CYS A 17 2.499 12.007 6.623 1.00 0.00 H ATOM 210 HB2 CYS A 17 0.624 13.345 5.524 1.00 0.00 H ATOM 211 HB3 CYS A 17 2.074 14.334 5.302 1.00 0.00 H HETATM 212 N NH2 A 18 2.257 10.743 3.632 1.00 0.00 N HETATM 213 HN1 NH2 A 18 2.827 11.467 3.180 1.00 0.00 H HETATM 214 HN2 NH2 A 18 1.958 9.918 3.100 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -9.844 -0.831 -4.806 1.00 0.00 C HETATM 217 O ACE B 0 -10.698 -1.579 -5.264 1.00 0.00 O HETATM 218 CH3 ACE B 0 -10.255 0.502 -4.205 1.00 0.00 C HETATM 219 H1 ACE B 0 -9.938 1.330 -4.860 1.00 0.00 H HETATM 220 H2 ACE B 0 -11.352 0.563 -4.101 1.00 0.00 H HETATM 221 H3 ACE B 0 -9.822 0.658 -3.201 1.00 0.00 H ATOM 222 N CYS B 1 -8.587 -1.243 -4.910 1.00 0.00 N ATOM 223 CA CYS B 1 -7.388 -0.489 -4.402 1.00 0.00 C ATOM 224 C CYS B 1 -6.665 0.486 -5.421 1.00 0.00 C ATOM 225 O CYS B 1 -5.754 1.193 -4.996 1.00 0.00 O ATOM 226 CB CYS B 1 -6.443 -1.616 -3.911 1.00 0.00 C ATOM 227 SG CYS B 1 -7.220 -2.717 -2.698 1.00 0.00 S ATOM 228 H CYS B 1 -8.556 -2.166 -5.372 1.00 0.00 H ATOM 229 HA CYS B 1 -7.613 0.143 -3.498 1.00 0.00 H ATOM 230 HB2 CYS B 1 -6.057 -2.230 -4.745 1.00 0.00 H ATOM 231 HB3 CYS B 1 -5.540 -1.192 -3.432 1.00 0.00 H ATOM 232 N GLY B 2 -7.012 0.544 -6.737 1.00 0.00 N ATOM 233 CA GLY B 2 -6.219 1.314 -7.750 1.00 0.00 C ATOM 234 C GLY B 2 -6.599 2.790 -8.013 1.00 0.00 C ATOM 235 O GLY B 2 -5.735 3.660 -7.936 1.00 0.00 O ATOM 236 H GLY B 2 -7.834 -0.014 -7.000 1.00 0.00 H ATOM 237 HA2 GLY B 2 -5.142 1.297 -7.480 1.00 0.00 H ATOM 238 HA3 GLY B 2 -6.249 0.783 -8.718 1.00 0.00 H ATOM 239 N ALA B 3 -7.859 3.104 -8.353 1.00 0.00 N ATOM 240 CA ALA B 3 -8.335 4.520 -8.403 1.00 0.00 C ATOM 241 C ALA B 3 -8.475 5.280 -7.037 1.00 0.00 C ATOM 242 O ALA B 3 -8.231 6.487 -7.000 1.00 0.00 O ATOM 243 CB ALA B 3 -9.642 4.488 -9.188 1.00 0.00 C ATOM 244 H ALA B 3 -8.500 2.321 -8.500 1.00 0.00 H ATOM 245 HA ALA B 3 -7.606 5.115 -8.994 1.00 0.00 H ATOM 246 HB1 ALA B 3 -10.018 5.518 -9.327 1.00 0.00 H ATOM 247 HB2 ALA B 3 -10.416 3.913 -8.649 1.00 0.00 H ATOM 248 HB3 ALA B 3 -9.495 4.047 -10.190 1.00 0.00 H ATOM 249 N GLU B 4 -8.854 4.594 -5.943 1.00 0.00 N ATOM 250 CA GLU B 4 -8.754 5.135 -4.548 1.00 0.00 C ATOM 251 C GLU B 4 -7.297 5.563 -4.171 1.00 0.00 C ATOM 252 O GLU B 4 -7.051 6.727 -3.832 1.00 0.00 O ATOM 253 CB GLU B 4 -9.435 4.073 -3.627 1.00 0.00 C ATOM 254 CG GLU B 4 -9.411 4.226 -2.078 1.00 0.00 C ATOM 255 CD GLU B 4 -9.055 5.569 -1.486 1.00 0.00 C ATOM 256 OE1 GLU B 4 -9.862 6.513 -1.592 1.00 0.00 O ATOM 257 OE2 GLU B 4 -7.933 5.699 -0.945 1.00 0.00 O ATOM 258 H GLU B 4 -9.179 3.644 -6.132 1.00 0.00 H ATOM 259 HA GLU B 4 -9.317 6.079 -4.507 1.00 0.00 H ATOM 260 HB2 GLU B 4 -10.499 3.998 -3.927 1.00 0.00 H ATOM 261 HB3 GLU B 4 -9.007 3.077 -3.842 1.00 0.00 H ATOM 262 HG2 GLU B 4 -10.392 3.961 -1.648 1.00 0.00 H ATOM 263 HG3 GLU B 4 -8.710 3.503 -1.631 1.00 0.00 H ATOM 264 N ALA B 5 -6.312 4.661 -4.358 1.00 0.00 N ATOM 265 CA ALA B 5 -4.872 5.053 -4.330 1.00 0.00 C ATOM 266 C ALA B 5 -4.552 6.260 -5.248 1.00 0.00 C ATOM 267 O ALA B 5 -3.961 7.219 -4.761 1.00 0.00 O ATOM 268 CB ALA B 5 -4.048 3.885 -4.880 1.00 0.00 C ATOM 269 H ALA B 5 -6.696 3.844 -4.858 1.00 0.00 H ATOM 270 HA ALA B 5 -4.522 5.334 -3.301 1.00 0.00 H ATOM 271 HB1 ALA B 5 -2.994 4.172 -5.051 1.00 0.00 H ATOM 272 HB2 ALA B 5 -4.417 3.601 -5.886 1.00 0.00 H ATOM 273 HB3 ALA B 5 -4.103 3.002 -4.238 1.00 0.00 H ATOM 274 N ALA B 6 -4.956 6.245 -6.533 1.00 0.00 N ATOM 275 CA ALA B 6 -4.638 7.346 -7.441 1.00 0.00 C ATOM 276 C ALA B 6 -5.194 8.754 -6.994 1.00 0.00 C ATOM 277 O ALA B 6 -4.441 9.728 -6.940 1.00 0.00 O ATOM 278 CB ALA B 6 -5.237 6.967 -8.779 1.00 0.00 C ATOM 279 H ALA B 6 -5.548 5.452 -6.841 1.00 0.00 H ATOM 280 HA ALA B 6 -3.531 7.271 -7.511 1.00 0.00 H ATOM 281 HB1 ALA B 6 -6.339 6.956 -8.697 1.00 0.00 H ATOM 282 HB2 ALA B 6 -4.951 7.728 -9.520 1.00 0.00 H ATOM 283 HB3 ALA B 6 -4.881 5.974 -9.093 1.00 0.00 H ATOM 284 N LYS B 7 -6.500 8.811 -6.630 1.00 0.00 N ATOM 285 CA LYS B 7 -7.148 9.972 -5.960 1.00 0.00 C ATOM 286 C LYS B 7 -6.413 10.438 -4.669 1.00 0.00 C ATOM 287 O LYS B 7 -5.990 11.587 -4.631 1.00 0.00 O ATOM 288 CB LYS B 7 -8.655 9.652 -5.706 1.00 0.00 C ATOM 289 CG LYS B 7 -9.527 10.760 -5.030 1.00 0.00 C ATOM 290 CD LYS B 7 -9.321 12.229 -5.507 1.00 0.00 C ATOM 291 CE LYS B 7 -8.617 13.152 -4.475 1.00 0.00 C ATOM 292 NZ LYS B 7 -7.811 14.217 -5.168 1.00 0.00 N ATOM 293 H LYS B 7 -6.977 7.903 -6.750 1.00 0.00 H ATOM 294 HA LYS B 7 -7.094 10.818 -6.674 1.00 0.00 H ATOM 295 HB2 LYS B 7 -9.131 9.340 -6.655 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.725 8.728 -5.084 1.00 0.00 H ATOM 297 HG2 LYS B 7 -10.590 10.480 -5.173 1.00 0.00 H ATOM 298 HG3 LYS B 7 -9.403 10.682 -3.929 1.00 0.00 H ATOM 299 HD2 LYS B 7 -8.810 12.231 -6.491 1.00 0.00 H ATOM 300 HD3 LYS B 7 -10.311 12.669 -5.742 1.00 0.00 H ATOM 301 HE2 LYS B 7 -9.385 13.606 -3.809 1.00 0.00 H ATOM 302 HE3 LYS B 7 -7.985 12.567 -3.775 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -8.184 14.597 -6.050 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -7.633 15.118 -4.669 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -6.851 13.936 -5.414 1.00 0.00 H ATOM 306 N ALA B 8 -6.224 9.598 -3.641 1.00 0.00 N ATOM 307 CA ALA B 8 -5.322 9.908 -2.498 1.00 0.00 C ATOM 308 C ALA B 8 -3.885 10.470 -2.814 1.00 0.00 C ATOM 309 O ALA B 8 -3.350 11.329 -2.104 1.00 0.00 O ATOM 310 CB ALA B 8 -5.107 8.565 -1.830 1.00 0.00 C ATOM 311 H ALA B 8 -6.654 8.665 -3.760 1.00 0.00 H ATOM 312 HA ALA B 8 -5.846 10.541 -1.750 1.00 0.00 H ATOM 313 HB1 ALA B 8 -4.421 8.735 -0.993 1.00 0.00 H ATOM 314 HB2 ALA B 8 -4.628 7.843 -2.512 1.00 0.00 H ATOM 315 HB3 ALA B 8 -6.051 8.138 -1.458 1.00 0.00 H ATOM 316 N HIS B 9 -3.236 9.892 -3.842 1.00 0.00 N ATOM 317 CA HIS B 9 -1.855 10.271 -4.259 1.00 0.00 C ATOM 318 C HIS B 9 -1.839 11.691 -4.931 1.00 0.00 C ATOM 319 O HIS B 9 -1.039 12.548 -4.531 1.00 0.00 O ATOM 320 CB HIS B 9 -1.339 8.998 -4.975 1.00 0.00 C ATOM 321 CG HIS B 9 -1.154 7.737 -4.083 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.074 6.473 -4.665 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.308 7.628 -2.691 1.00 0.00 C ATOM 324 CE1 HIS B 9 -1.097 5.634 -3.540 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.183 6.326 -2.381 1.00 0.00 N ATOM 326 H HIS B 9 -3.826 9.289 -4.467 1.00 0.00 H ATOM 327 HA HIS B 9 -1.208 10.388 -3.369 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.036 8.754 -5.805 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.385 9.232 -5.466 1.00 0.00 H ATOM 330 HD1 HIS B 9 -0.950 6.207 -5.652 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.501 8.444 -1.998 1.00 0.00 H ATOM 332 HE1 HIS B 9 -1.059 4.560 -3.645 1.00 0.00 H ATOM 333 N ALA B 10 -2.800 11.952 -5.843 1.00 0.00 N ATOM 334 CA ALA B 10 -3.155 13.311 -6.293 1.00 0.00 C ATOM 335 C ALA B 10 -3.552 14.232 -5.090 1.00 0.00 C ATOM 336 O ALA B 10 -2.811 15.174 -4.883 1.00 0.00 O ATOM 337 CB ALA B 10 -4.302 13.118 -7.303 1.00 0.00 C ATOM 338 H ALA B 10 -3.093 11.166 -6.432 1.00 0.00 H ATOM 339 HA ALA B 10 -2.291 13.780 -6.800 1.00 0.00 H ATOM 340 HB1 ALA B 10 -4.668 14.092 -7.677 1.00 0.00 H ATOM 341 HB2 ALA B 10 -3.985 12.523 -8.178 1.00 0.00 H ATOM 342 HB3 ALA B 10 -5.170 12.599 -6.855 1.00 0.00 H ATOM 343 N LYS B 11 -4.553 13.917 -4.226 1.00 0.00 N ATOM 344 CA LYS B 11 -4.844 14.677 -2.939 1.00 0.00 C ATOM 345 C LYS B 11 -3.614 15.317 -2.214 1.00 0.00 C ATOM 346 O LYS B 11 -3.562 16.538 -2.006 1.00 0.00 O ATOM 347 CB LYS B 11 -5.723 13.775 -2.015 1.00 0.00 C ATOM 348 CG LYS B 11 -5.757 14.015 -0.483 1.00 0.00 C ATOM 349 CD LYS B 11 -6.188 15.423 0.008 1.00 0.00 C ATOM 350 CE LYS B 11 -5.174 16.107 0.956 1.00 0.00 C ATOM 351 NZ LYS B 11 -5.002 15.355 2.235 1.00 0.00 N ATOM 352 H LYS B 11 -4.685 12.892 -4.312 1.00 0.00 H ATOM 353 HA LYS B 11 -5.481 15.541 -3.200 1.00 0.00 H ATOM 354 HB2 LYS B 11 -6.754 13.795 -2.391 1.00 0.00 H ATOM 355 HB3 LYS B 11 -5.386 12.734 -2.133 1.00 0.00 H ATOM 356 HG2 LYS B 11 -6.397 13.250 0.002 1.00 0.00 H ATOM 357 HG3 LYS B 11 -4.751 13.757 -0.091 1.00 0.00 H ATOM 358 HD2 LYS B 11 -6.352 16.092 -0.862 1.00 0.00 H ATOM 359 HD3 LYS B 11 -7.184 15.358 0.489 1.00 0.00 H ATOM 360 HE2 LYS B 11 -4.191 16.205 0.442 1.00 0.00 H ATOM 361 HE3 LYS B 11 -5.487 17.157 1.149 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -4.233 15.661 2.842 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -4.680 14.359 2.079 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -5.840 15.205 2.802 1.00 0.00 H ATOM 365 N ALA B 12 -2.632 14.457 -1.896 1.00 0.00 N ATOM 366 CA ALA B 12 -1.287 14.889 -1.461 1.00 0.00 C ATOM 367 C ALA B 12 -0.620 15.896 -2.479 1.00 0.00 C ATOM 368 O ALA B 12 -0.752 17.107 -2.285 1.00 0.00 O ATOM 369 CB ALA B 12 -0.522 13.588 -1.139 1.00 0.00 C ATOM 370 H ALA B 12 -2.933 13.472 -1.962 1.00 0.00 H ATOM 371 HA ALA B 12 -1.415 15.432 -0.516 1.00 0.00 H ATOM 372 HB1 ALA B 12 0.510 13.805 -0.815 1.00 0.00 H ATOM 373 HB2 ALA B 12 -1.010 13.034 -0.313 1.00 0.00 H ATOM 374 HB3 ALA B 12 -0.456 12.914 -2.012 1.00 0.00 H ATOM 375 N ALA B 13 -0.037 15.450 -3.602 1.00 0.00 N ATOM 376 CA ALA B 13 0.402 16.329 -4.738 1.00 0.00 C ATOM 377 C ALA B 13 -0.532 17.463 -5.343 1.00 0.00 C ATOM 378 O ALA B 13 -0.115 18.190 -6.246 1.00 0.00 O ATOM 379 CB ALA B 13 0.728 15.284 -5.828 1.00 0.00 C ATOM 380 H ALA B 13 -0.207 14.454 -3.754 1.00 0.00 H ATOM 381 HA ALA B 13 1.340 16.837 -4.445 1.00 0.00 H ATOM 382 HB1 ALA B 13 1.463 14.525 -5.500 1.00 0.00 H ATOM 383 HB2 ALA B 13 -0.183 14.739 -6.150 1.00 0.00 H ATOM 384 HB3 ALA B 13 1.140 15.761 -6.736 1.00 0.00 H ATOM 385 N GLU B 14 -1.761 17.604 -4.835 1.00 0.00 N ATOM 386 CA GLU B 14 -2.817 18.565 -5.314 1.00 0.00 C ATOM 387 C GLU B 14 -2.775 19.768 -4.325 1.00 0.00 C ATOM 388 O GLU B 14 -2.445 20.889 -4.719 1.00 0.00 O ATOM 389 CB GLU B 14 -4.123 17.716 -5.448 1.00 0.00 C ATOM 390 CG GLU B 14 -5.525 18.291 -5.789 1.00 0.00 C ATOM 391 CD GLU B 14 -6.613 17.207 -5.744 1.00 0.00 C ATOM 392 OE1 GLU B 14 -7.096 16.868 -4.636 1.00 0.00 O ATOM 393 OE2 GLU B 14 -6.925 16.582 -6.777 1.00 0.00 O ATOM 394 H GLU B 14 -1.869 17.011 -3.967 1.00 0.00 H ATOM 395 HA GLU B 14 -2.563 18.956 -6.319 1.00 0.00 H ATOM 396 HB2 GLU B 14 -3.910 16.957 -6.228 1.00 0.00 H ATOM 397 HB3 GLU B 14 -4.245 17.157 -4.507 1.00 0.00 H ATOM 398 HG2 GLU B 14 -5.808 19.095 -5.088 1.00 0.00 H ATOM 399 HG3 GLU B 14 -5.536 18.741 -6.797 1.00 0.00 H ATOM 400 N ALA B 15 -3.035 19.528 -3.026 1.00 0.00 N ATOM 401 CA ALA B 15 -2.709 20.505 -1.961 1.00 0.00 C ATOM 402 C ALA B 15 -1.372 20.093 -1.241 1.00 0.00 C ATOM 403 O ALA B 15 -1.328 20.046 -0.010 1.00 0.00 O ATOM 404 CB ALA B 15 -3.915 20.403 -1.037 1.00 0.00 C ATOM 405 H ALA B 15 -3.368 18.574 -2.811 1.00 0.00 H ATOM 406 HA ALA B 15 -2.626 21.545 -2.340 1.00 0.00 H ATOM 407 HB1 ALA B 15 -4.841 20.666 -1.575 1.00 0.00 H ATOM 408 HB2 ALA B 15 -3.999 19.375 -0.635 1.00 0.00 H ATOM 409 HB3 ALA B 15 -3.773 21.093 -0.190 1.00 0.00 H ATOM 410 N GLY B 16 -0.271 19.949 -2.012 1.00 0.00 N ATOM 411 CA GLY B 16 1.028 19.263 -1.612 1.00 0.00 C ATOM 412 C GLY B 16 1.251 18.877 -0.126 1.00 0.00 C ATOM 413 O GLY B 16 1.896 19.494 0.717 1.00 0.00 O ATOM 414 H GLY B 16 -0.828 19.406 -2.703 1.00 0.00 H ATOM 415 HA2 GLY B 16 1.226 18.396 -2.286 1.00 0.00 H ATOM 416 HA3 GLY B 16 1.865 19.920 -1.894 1.00 0.00 H ATOM 417 N CYS B 17 0.542 17.764 0.040 1.00 0.00 N ATOM 418 CA CYS B 17 0.127 17.087 1.296 1.00 0.00 C ATOM 419 C CYS B 17 -0.100 17.935 2.609 1.00 0.00 C ATOM 420 O CYS B 17 0.407 17.663 3.694 1.00 0.00 O ATOM 421 CB CYS B 17 1.048 15.871 1.540 1.00 0.00 C ATOM 422 SG CYS B 17 0.138 14.670 2.535 1.00 0.00 S ATOM 423 H CYS B 17 0.194 17.518 -0.908 1.00 0.00 H ATOM 424 HA CYS B 17 -0.893 16.702 1.004 1.00 0.00 H ATOM 425 HB2 CYS B 17 1.361 15.379 0.602 1.00 0.00 H ATOM 426 HB3 CYS B 17 1.978 16.171 2.060 1.00 0.00 H HETATM 427 N NH2 B 18 -0.912 18.968 2.605 1.00 0.00 N HETATM 428 HN1 NH2 B 18 -1.045 19.372 1.665 1.00 0.00 H HETATM 429 HN2 NH2 B 18 -0.809 19.499 3.473 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -1.038 5.432 -0.321 1.00 0.00 CO HETATM 432 C PC3 A 20 2.478 8.038 0.377 1.00 0.00 C HETATM 433 C1 PC3 A 20 1.405 8.962 0.667 1.00 0.00 C HETATM 434 C2A PC3 A 20 0.222 8.170 0.590 1.00 0.00 C HETATM 435 N2B PC3 A 20 0.412 6.896 0.102 1.00 0.00 N HETATM 436 C2C PC3 A 20 1.792 6.832 -0.017 1.00 0.00 C HETATM 437 CA PC3 A 20 -1.078 8.637 0.989 1.00 0.00 C HETATM 438 C4C PC3 A 20 -2.354 7.964 1.005 1.00 0.00 C HETATM 439 C2 PC3 A 20 -3.578 8.526 1.517 1.00 0.00 C HETATM 440 C3 PC3 A 20 -4.561 7.476 1.278 1.00 0.00 C HETATM 441 C4A PC3 A 20 -3.825 6.419 0.657 1.00 0.00 C HETATM 442 N4B PC3 A 20 -2.481 6.679 0.503 1.00 0.00 N HETATM 443 CB PC3 A 20 -4.396 5.161 0.224 1.00 0.00 C HETATM 444 C6C PC3 A 20 -3.760 4.047 -0.442 1.00 0.00 C HETATM 445 C4 PC3 A 20 -4.443 2.889 -0.844 1.00 0.00 C HETATM 446 C5 PC3 A 20 -3.438 2.081 -1.497 1.00 0.00 C HETATM 447 C6A PC3 A 20 -2.245 2.813 -1.360 1.00 0.00 C HETATM 448 N6B PC3 A 20 -2.418 4.023 -0.731 1.00 0.00 N HETATM 449 CC PC3 A 20 -0.954 2.356 -1.823 1.00 0.00 C HETATM 450 C8C PC3 A 20 0.348 2.985 -1.668 1.00 0.00 C HETATM 451 C6 PC3 A 20 1.584 2.430 -2.128 1.00 0.00 C HETATM 452 C7 PC3 A 20 2.588 3.355 -1.632 1.00 0.00 C HETATM 453 C8A PC3 A 20 1.846 4.423 -1.044 1.00 0.00 C HETATM 454 N8B PC3 A 20 0.477 4.213 -1.040 1.00 0.00 N HETATM 455 CD PC3 A 20 2.441 5.632 -0.497 1.00 0.00 C HETATM 456 C8 PC3 A 20 -6.055 7.506 1.632 1.00 0.00 C HETATM 457 C9 PC3 A 20 1.528 10.431 1.089 1.00 0.00 C HETATM 458 C10 PC3 A 20 4.098 3.233 -1.837 1.00 0.00 C HETATM 459 C11 PC3 A 20 -3.559 0.705 -2.099 1.00 0.00 C HETATM 460 C12 PC3 A 20 -3.931 9.908 2.130 1.00 0.00 C HETATM 461 CX5 PC3 A 20 -3.019 11.142 1.866 1.00 0.00 C HETATM 462 C14 PC3 A 20 3.853 8.129 1.035 1.00 0.00 C HETATM 463 C15 PC3 A 20 5.089 8.251 0.124 1.00 0.00 C HETATM 464 C16 PC3 A 20 1.860 1.208 -3.042 1.00 0.00 C HETATM 465 C17 PC3 A 20 1.129 1.125 -4.419 1.00 0.00 C HETATM 466 C18 PC3 A 20 -5.807 2.476 -0.317 1.00 0.00 C HETATM 467 C19 PC3 A 20 -6.052 2.898 1.160 1.00 0.00 C HETATM 468 C21 PC3 A 20 6.300 7.683 0.842 1.00 0.00 C HETATM 469 O1 PC3 A 20 6.360 6.437 0.925 1.00 0.00 O HETATM 470 O2 PC3 A 20 7.162 8.415 1.350 1.00 0.00 O HETATM 471 C22 PC3 A 20 -3.596 12.525 2.114 1.00 0.00 C HETATM 472 O3 PC3 A 20 -2.852 13.511 1.979 1.00 0.00 O HETATM 473 O22 PC3 A 20 -4.816 12.660 2.319 1.00 0.00 O HETATM 474 C23 PC3 A 20 -4.881 2.727 2.134 1.00 0.00 C HETATM 475 O23 PC3 A 20 -4.366 1.602 2.289 1.00 0.00 O HETATM 476 O4 PC3 A 20 -4.306 3.757 2.557 1.00 0.00 O HETATM 477 C24 PC3 A 20 1.095 2.388 -5.280 1.00 0.00 C HETATM 478 O5 PC3 A 20 0.269 3.264 -4.938 1.00 0.00 O HETATM 479 HA PC3 A 20 -1.065 9.637 1.382 1.00 0.00 H HETATM 480 HB PC3 A 20 -5.461 5.045 0.395 1.00 0.00 H HETATM 481 HC PC3 A 20 -0.950 1.400 -2.335 1.00 0.00 H HETATM 482 HD PC3 A 20 3.524 5.687 -0.534 1.00 0.00 H HETATM 483 H81 PC3 A 20 -6.467 6.497 1.827 1.00 0.00 H HETATM 484 H82 PC3 A 20 -6.669 7.936 0.818 1.00 0.00 H HETATM 485 H83 PC3 A 20 -6.256 8.103 2.541 1.00 0.00 H HETATM 486 H91 PC3 A 20 2.569 10.737 1.307 1.00 0.00 H HETATM 487 H92 PC3 A 20 0.922 10.669 1.982 1.00 0.00 H HETATM 488 H93 PC3 A 20 1.178 11.108 0.286 1.00 0.00 H HETATM 489 H101 PC3 A 20 4.374 3.495 -2.877 1.00 0.00 H HETATM 490 H102 PC3 A 20 4.695 3.879 -1.166 1.00 0.00 H HETATM 491 H103 PC3 A 20 4.452 2.197 -1.670 1.00 0.00 H HETATM 492 H111 PC3 A 20 -3.277 -0.085 -1.379 1.00 0.00 H HETATM 493 H112 PC3 A 20 -2.926 0.589 -2.998 1.00 0.00 H HETATM 494 H113 PC3 A 20 -4.602 0.519 -2.409 1.00 0.00 H HETATM 495 H121 PC3 A 20 -4.063 9.800 3.224 1.00 0.00 H HETATM 496 H122 PC3 A 20 -4.949 10.173 1.781 1.00 0.00 H HETATM 497 H221 PC3 A 20 -2.686 11.160 0.814 1.00 0.00 H HETATM 498 H222 PC3 A 20 -2.118 11.095 2.502 1.00 0.00 H HETATM 499 H141 PC3 A 20 3.891 8.967 1.754 1.00 0.00 H HETATM 500 H142 PC3 A 20 3.954 7.240 1.692 1.00 0.00 H HETATM 501 H151 PC3 A 20 4.972 7.690 -0.820 1.00 0.00 H HETATM 502 H152 PC3 A 20 5.292 9.300 -0.159 1.00 0.00 H HETATM 503 H161 PC3 A 20 2.943 1.171 -3.271 1.00 0.00 H HETATM 504 H162 PC3 A 20 1.677 0.278 -2.475 1.00 0.00 H HETATM 505 H171 PC3 A 20 1.588 0.328 -5.034 1.00 0.00 H HETATM 506 H172 PC3 A 20 0.085 0.796 -4.288 1.00 0.00 H HETATM 507 H181 PC3 A 20 -5.901 1.377 -0.391 1.00 0.00 H HETATM 508 H182 PC3 A 20 -6.603 2.892 -0.962 1.00 0.00 H HETATM 509 H192 PC3 A 20 -6.365 3.958 1.186 1.00 0.00 H HETATM 510 H191 PC3 A 20 -6.915 2.346 1.570 1.00 0.00 H