HETATM 1 C ACE A 0 -0.204 -3.494 -0.665 1.00 0.00 C HETATM 2 O ACE A 0 0.337 -2.455 -0.305 1.00 0.00 O HETATM 3 CH3 ACE A 0 0.619 -4.724 -0.980 1.00 0.00 C HETATM 4 H1 ACE A 0 1.694 -4.467 -0.975 1.00 0.00 H HETATM 5 H2 ACE A 0 0.386 -5.127 -1.981 1.00 0.00 H HETATM 6 H3 ACE A 0 0.466 -5.515 -0.226 1.00 0.00 H ATOM 7 N CYS A 1 -1.519 -3.646 -0.784 1.00 0.00 N ATOM 8 CA CYS A 1 -2.462 -2.488 -0.560 1.00 0.00 C ATOM 9 C CYS A 1 -2.882 -2.173 0.925 1.00 0.00 C ATOM 10 O CYS A 1 -3.262 -1.025 1.176 1.00 0.00 O ATOM 11 CB CYS A 1 -3.663 -2.741 -1.505 1.00 0.00 C ATOM 12 SG CYS A 1 -4.899 -1.437 -1.298 1.00 0.00 S ATOM 13 H CYS A 1 -1.785 -4.629 -0.987 1.00 0.00 H ATOM 14 HA CYS A 1 -2.004 -1.506 -0.882 1.00 0.00 H ATOM 15 HB2 CYS A 1 -3.348 -2.747 -2.567 1.00 0.00 H ATOM 16 HB3 CYS A 1 -4.160 -3.711 -1.318 1.00 0.00 H ATOM 17 N GLY A 2 -2.802 -3.101 1.905 1.00 0.00 N ATOM 18 CA GLY A 2 -3.170 -2.804 3.319 1.00 0.00 C ATOM 19 C GLY A 2 -1.979 -2.537 4.266 1.00 0.00 C ATOM 20 O GLY A 2 -1.792 -1.402 4.697 1.00 0.00 O ATOM 21 H GLY A 2 -2.289 -3.949 1.647 1.00 0.00 H ATOM 22 HA2 GLY A 2 -3.856 -1.932 3.376 1.00 0.00 H ATOM 23 HA3 GLY A 2 -3.781 -3.632 3.720 1.00 0.00 H ATOM 24 N ALA A 3 -1.194 -3.567 4.641 1.00 0.00 N ATOM 25 CA ALA A 3 -0.058 -3.404 5.591 1.00 0.00 C ATOM 26 C ALA A 3 1.294 -2.883 5.010 1.00 0.00 C ATOM 27 O ALA A 3 1.964 -2.094 5.678 1.00 0.00 O ATOM 28 CB ALA A 3 0.087 -4.753 6.279 1.00 0.00 C ATOM 29 H ALA A 3 -1.374 -4.475 4.208 1.00 0.00 H ATOM 30 HA ALA A 3 -0.351 -2.675 6.375 1.00 0.00 H ATOM 31 HB1 ALA A 3 0.866 -4.687 7.058 1.00 0.00 H ATOM 32 HB2 ALA A 3 0.382 -5.537 5.559 1.00 0.00 H ATOM 33 HB3 ALA A 3 -0.858 -5.047 6.771 1.00 0.00 H ATOM 34 N GLU A 4 1.724 -3.304 3.809 1.00 0.00 N ATOM 35 CA GLU A 4 2.850 -2.637 3.087 1.00 0.00 C ATOM 36 C GLU A 4 2.599 -1.109 2.782 1.00 0.00 C ATOM 37 O GLU A 4 3.466 -0.261 3.022 1.00 0.00 O ATOM 38 CB GLU A 4 3.131 -3.429 1.804 1.00 0.00 C ATOM 39 CG GLU A 4 3.909 -4.770 1.937 1.00 0.00 C ATOM 40 CD GLU A 4 5.363 -4.606 2.323 1.00 0.00 C ATOM 41 OE1 GLU A 4 6.162 -4.178 1.465 1.00 0.00 O ATOM 42 OE2 GLU A 4 5.705 -4.798 3.505 1.00 0.00 O ATOM 43 H GLU A 4 1.241 -4.105 3.396 1.00 0.00 H ATOM 44 HA GLU A 4 3.754 -2.706 3.698 1.00 0.00 H ATOM 45 HB2 GLU A 4 2.160 -3.575 1.306 1.00 0.00 H ATOM 46 HB3 GLU A 4 3.707 -2.755 1.147 1.00 0.00 H ATOM 47 HG2 GLU A 4 3.437 -5.444 2.671 1.00 0.00 H ATOM 48 HG3 GLU A 4 3.904 -5.311 0.977 1.00 0.00 H ATOM 49 N ALA A 5 1.382 -0.796 2.302 1.00 0.00 N ATOM 50 CA ALA A 5 0.864 0.597 2.212 1.00 0.00 C ATOM 51 C ALA A 5 0.826 1.340 3.577 1.00 0.00 C ATOM 52 O ALA A 5 1.287 2.475 3.629 1.00 0.00 O ATOM 53 CB ALA A 5 -0.558 0.446 1.661 1.00 0.00 C ATOM 54 H ALA A 5 0.807 -1.650 2.195 1.00 0.00 H ATOM 55 HA ALA A 5 1.470 1.246 1.527 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.564 -0.074 0.688 1.00 0.00 H ATOM 57 HB2 ALA A 5 -1.053 1.416 1.539 1.00 0.00 H ATOM 58 HB3 ALA A 5 -1.189 -0.145 2.357 1.00 0.00 H ATOM 59 N ALA A 6 0.286 0.756 4.665 1.00 0.00 N ATOM 60 CA ALA A 6 0.446 1.315 6.034 1.00 0.00 C ATOM 61 C ALA A 6 1.922 1.538 6.524 1.00 0.00 C ATOM 62 O ALA A 6 2.165 2.559 7.164 1.00 0.00 O ATOM 63 CB ALA A 6 -0.166 0.274 6.945 1.00 0.00 C ATOM 64 H ALA A 6 -0.072 -0.208 4.517 1.00 0.00 H ATOM 65 HA ALA A 6 -0.165 2.256 6.141 1.00 0.00 H ATOM 66 HB1 ALA A 6 -1.206 0.061 6.662 1.00 0.00 H ATOM 67 HB2 ALA A 6 0.427 -0.656 6.892 1.00 0.00 H ATOM 68 HB3 ALA A 6 -0.119 0.632 7.985 1.00 0.00 H ATOM 69 N LYS A 7 2.877 0.613 6.247 1.00 0.00 N ATOM 70 CA LYS A 7 4.340 0.866 6.466 1.00 0.00 C ATOM 71 C LYS A 7 4.890 2.144 5.738 1.00 0.00 C ATOM 72 O LYS A 7 5.582 2.958 6.353 1.00 0.00 O ATOM 73 CB LYS A 7 5.034 -0.479 6.095 1.00 0.00 C ATOM 74 CG LYS A 7 6.578 -0.506 5.906 1.00 0.00 C ATOM 75 CD LYS A 7 6.999 -0.456 4.414 1.00 0.00 C ATOM 76 CE LYS A 7 6.740 -1.782 3.660 1.00 0.00 C ATOM 77 NZ LYS A 7 6.411 -1.553 2.226 1.00 0.00 N ATOM 78 H LYS A 7 2.547 -0.247 5.748 1.00 0.00 H ATOM 79 HA LYS A 7 4.496 1.072 7.549 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.752 -1.218 6.867 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.561 -0.881 5.177 1.00 0.00 H ATOM 82 HG2 LYS A 7 7.040 0.340 6.458 1.00 0.00 H ATOM 83 HG3 LYS A 7 7.004 -1.410 6.387 1.00 0.00 H ATOM 84 HD2 LYS A 7 6.476 0.394 3.928 1.00 0.00 H ATOM 85 HD3 LYS A 7 8.072 -0.193 4.337 1.00 0.00 H ATOM 86 HE2 LYS A 7 7.598 -2.484 3.770 1.00 0.00 H ATOM 87 HE3 LYS A 7 5.917 -2.362 4.136 1.00 0.00 H ATOM 88 HZ1 LYS A 7 7.138 -1.100 1.667 1.00 0.00 H ATOM 89 HZ2 LYS A 7 6.239 -2.482 1.766 1.00 0.00 H ATOM 90 HZ3 LYS A 7 5.540 -1.018 2.074 1.00 0.00 H ATOM 91 N ALA A 8 4.566 2.325 4.451 1.00 0.00 N ATOM 92 CA ALA A 8 4.782 3.604 3.727 1.00 0.00 C ATOM 93 C ALA A 8 4.029 4.858 4.310 1.00 0.00 C ATOM 94 O ALA A 8 4.630 5.925 4.461 1.00 0.00 O ATOM 95 CB ALA A 8 4.295 3.346 2.316 1.00 0.00 C ATOM 96 H ALA A 8 4.144 1.487 4.024 1.00 0.00 H ATOM 97 HA ALA A 8 5.863 3.808 3.617 1.00 0.00 H ATOM 98 HB1 ALA A 8 3.219 3.107 2.301 1.00 0.00 H ATOM 99 HB2 ALA A 8 4.454 4.246 1.701 1.00 0.00 H ATOM 100 HB3 ALA A 8 4.839 2.504 1.861 1.00 0.00 H ATOM 101 N HIS A 9 2.724 4.726 4.636 1.00 0.00 N ATOM 102 CA HIS A 9 1.937 5.764 5.367 1.00 0.00 C ATOM 103 C HIS A 9 2.553 6.204 6.751 1.00 0.00 C ATOM 104 O HIS A 9 2.785 7.405 6.924 1.00 0.00 O ATOM 105 CB HIS A 9 0.471 5.237 5.335 1.00 0.00 C ATOM 106 CG HIS A 9 -0.278 4.990 3.992 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.250 3.982 3.872 1.00 0.00 N ATOM 108 CD2 HIS A 9 -0.024 5.550 2.746 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.585 4.040 2.501 1.00 0.00 C ATOM 110 NE2 HIS A 9 -0.878 5.001 1.864 1.00 0.00 N ATOM 111 H HIS A 9 2.325 3.775 4.460 1.00 0.00 H ATOM 112 HA HIS A 9 1.990 6.720 4.822 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.492 4.283 5.891 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.142 5.908 5.950 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.468 3.244 4.554 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.713 6.292 2.484 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.318 3.361 2.066 1.00 0.00 H ATOM 118 N ALA A 10 2.875 5.281 7.682 1.00 0.00 N ATOM 119 CA ALA A 10 3.738 5.564 8.851 1.00 0.00 C ATOM 120 C ALA A 10 5.130 6.197 8.524 1.00 0.00 C ATOM 121 O ALA A 10 5.437 7.249 9.077 1.00 0.00 O ATOM 122 CB ALA A 10 3.890 4.179 9.521 1.00 0.00 C ATOM 123 H ALA A 10 2.181 4.550 7.881 1.00 0.00 H ATOM 124 HA ALA A 10 3.222 6.265 9.530 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.383 3.448 8.845 1.00 0.00 H ATOM 126 HB2 ALA A 10 2.923 3.734 9.818 1.00 0.00 H ATOM 127 HB3 ALA A 10 4.522 4.235 10.425 1.00 0.00 H ATOM 128 N LYS A 11 5.925 5.636 7.584 1.00 0.00 N ATOM 129 CA LYS A 11 7.233 6.259 7.168 1.00 0.00 C ATOM 130 C LYS A 11 7.168 7.792 6.801 1.00 0.00 C ATOM 131 O LYS A 11 7.978 8.608 7.272 1.00 0.00 O ATOM 132 CB LYS A 11 7.849 5.366 6.051 1.00 0.00 C ATOM 133 CG LYS A 11 9.258 5.768 5.546 1.00 0.00 C ATOM 134 CD LYS A 11 10.394 5.561 6.582 1.00 0.00 C ATOM 135 CE LYS A 11 11.382 6.739 6.706 1.00 0.00 C ATOM 136 NZ LYS A 11 10.783 7.818 7.541 1.00 0.00 N ATOM 137 H LYS A 11 5.389 4.950 7.018 1.00 0.00 H ATOM 138 HA LYS A 11 7.907 6.198 8.045 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.878 4.313 6.398 1.00 0.00 H ATOM 140 HB3 LYS A 11 7.155 5.354 5.189 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.493 5.181 4.635 1.00 0.00 H ATOM 142 HG3 LYS A 11 9.227 6.814 5.178 1.00 0.00 H ATOM 143 HD2 LYS A 11 9.997 5.300 7.588 1.00 0.00 H ATOM 144 HD3 LYS A 11 10.958 4.650 6.300 1.00 0.00 H ATOM 145 HE2 LYS A 11 12.319 6.380 7.189 1.00 0.00 H ATOM 146 HE3 LYS A 11 11.695 7.115 5.707 1.00 0.00 H ATOM 147 HZ1 LYS A 11 9.848 8.164 7.272 1.00 0.00 H ATOM 148 HZ2 LYS A 11 11.363 8.633 7.780 1.00 0.00 H ATOM 149 HZ3 LYS A 11 10.591 7.477 8.522 1.00 0.00 H ATOM 150 N ALA A 12 6.163 8.151 5.984 1.00 0.00 N ATOM 151 CA ALA A 12 5.775 9.551 5.732 1.00 0.00 C ATOM 152 C ALA A 12 5.360 10.316 7.045 1.00 0.00 C ATOM 153 O ALA A 12 6.179 11.076 7.569 1.00 0.00 O ATOM 154 CB ALA A 12 4.704 9.475 4.619 1.00 0.00 C ATOM 155 H ALA A 12 5.574 7.358 5.699 1.00 0.00 H ATOM 156 HA ALA A 12 6.670 10.066 5.332 1.00 0.00 H ATOM 157 HB1 ALA A 12 3.839 8.852 4.913 1.00 0.00 H ATOM 158 HB2 ALA A 12 4.302 10.473 4.368 1.00 0.00 H ATOM 159 HB3 ALA A 12 5.117 9.051 3.684 1.00 0.00 H ATOM 160 N ALA A 13 4.169 10.092 7.630 1.00 0.00 N ATOM 161 CA ALA A 13 3.786 10.575 8.996 1.00 0.00 C ATOM 162 C ALA A 13 4.811 10.506 10.197 1.00 0.00 C ATOM 163 O ALA A 13 4.602 11.150 11.226 1.00 0.00 O ATOM 164 CB ALA A 13 2.536 9.728 9.318 1.00 0.00 C ATOM 165 H ALA A 13 3.613 9.369 7.177 1.00 0.00 H ATOM 166 HA ALA A 13 3.477 11.634 8.920 1.00 0.00 H ATOM 167 HB1 ALA A 13 1.743 9.819 8.553 1.00 0.00 H ATOM 168 HB2 ALA A 13 2.089 10.021 10.285 1.00 0.00 H ATOM 169 HB3 ALA A 13 2.790 8.652 9.402 1.00 0.00 H ATOM 170 N GLU A 14 5.909 9.760 10.024 1.00 0.00 N ATOM 171 CA GLU A 14 7.080 9.741 10.959 1.00 0.00 C ATOM 172 C GLU A 14 8.032 10.935 10.645 1.00 0.00 C ATOM 173 O GLU A 14 8.192 11.832 11.477 1.00 0.00 O ATOM 174 CB GLU A 14 7.692 8.314 10.892 1.00 0.00 C ATOM 175 CG GLU A 14 9.086 8.074 11.551 1.00 0.00 C ATOM 176 CD GLU A 14 10.198 7.814 10.554 1.00 0.00 C ATOM 177 OE1 GLU A 14 10.227 6.711 9.968 1.00 0.00 O ATOM 178 OE2 GLU A 14 10.989 8.722 10.238 1.00 0.00 O ATOM 179 H GLU A 14 5.978 9.495 9.005 1.00 0.00 H ATOM 180 HA GLU A 14 6.729 9.888 12.000 1.00 0.00 H ATOM 181 HB2 GLU A 14 6.956 7.626 11.349 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.730 7.986 9.836 1.00 0.00 H ATOM 183 HG2 GLU A 14 9.394 8.916 12.196 1.00 0.00 H ATOM 184 HG3 GLU A 14 9.053 7.193 12.213 1.00 0.00 H ATOM 185 N ALA A 15 8.603 10.993 9.428 1.00 0.00 N ATOM 186 CA ALA A 15 9.287 12.223 8.942 1.00 0.00 C ATOM 187 C ALA A 15 8.282 13.135 8.146 1.00 0.00 C ATOM 188 O ALA A 15 8.578 13.593 7.040 1.00 0.00 O ATOM 189 CB ALA A 15 10.382 11.656 8.047 1.00 0.00 C ATOM 190 H ALA A 15 8.394 10.181 8.821 1.00 0.00 H ATOM 191 HA ALA A 15 9.767 12.798 9.764 1.00 0.00 H ATOM 192 HB1 ALA A 15 11.053 11.000 8.627 1.00 0.00 H ATOM 193 HB2 ALA A 15 9.938 11.094 7.202 1.00 0.00 H ATOM 194 HB3 ALA A 15 10.967 12.491 7.628 1.00 0.00 H ATOM 195 N GLY A 16 7.162 13.493 8.808 1.00 0.00 N ATOM 196 CA GLY A 16 5.890 14.050 8.199 1.00 0.00 C ATOM 197 C GLY A 16 5.873 14.483 6.710 1.00 0.00 C ATOM 198 O GLY A 16 5.912 15.615 6.235 1.00 0.00 O ATOM 199 H GLY A 16 7.075 12.517 9.159 1.00 0.00 H ATOM 200 HA2 GLY A 16 5.051 13.344 8.410 1.00 0.00 H ATOM 201 HA3 GLY A 16 5.575 14.930 8.783 1.00 0.00 H ATOM 202 N CYS A 17 5.820 13.326 6.064 1.00 0.00 N ATOM 203 CA CYS A 17 6.040 13.028 4.640 1.00 0.00 C ATOM 204 C CYS A 17 7.467 13.378 4.173 1.00 0.00 C ATOM 205 O CYS A 17 8.151 12.609 3.491 1.00 0.00 O ATOM 206 CB CYS A 17 4.963 13.600 3.707 1.00 0.00 C ATOM 207 SG CYS A 17 5.266 12.955 2.047 1.00 0.00 S ATOM 208 H CYS A 17 6.015 12.649 6.831 1.00 0.00 H ATOM 209 HA CYS A 17 5.980 11.903 4.615 1.00 0.00 H ATOM 210 HB2 CYS A 17 3.954 13.294 4.038 1.00 0.00 H ATOM 211 HB3 CYS A 17 4.976 14.706 3.695 1.00 0.00 H HETATM 212 N NH2 A 18 7.884 14.552 4.595 1.00 0.00 N HETATM 213 HN1 NH2 A 18 7.264 15.144 5.160 1.00 0.00 H HETATM 214 HN2 NH2 A 18 8.829 14.876 4.360 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -9.543 0.898 -3.656 1.00 0.00 C HETATM 217 O ACE B 0 -9.759 1.773 -2.831 1.00 0.00 O HETATM 218 CH3 ACE B 0 -10.475 0.783 -4.859 1.00 0.00 C HETATM 219 H1 ACE B 0 -9.922 0.900 -5.805 1.00 0.00 H HETATM 220 H2 ACE B 0 -10.993 -0.191 -4.860 1.00 0.00 H HETATM 221 H3 ACE B 0 -11.246 1.574 -4.820 1.00 0.00 H ATOM 222 N CYS B 1 -8.493 0.097 -3.474 1.00 0.00 N ATOM 223 CA CYS B 1 -8.097 -0.996 -4.434 1.00 0.00 C ATOM 224 C CYS B 1 -7.274 -0.580 -5.715 1.00 0.00 C ATOM 225 O CYS B 1 -7.187 -1.386 -6.646 1.00 0.00 O ATOM 226 CB CYS B 1 -7.142 -1.752 -3.464 1.00 0.00 C ATOM 227 SG CYS B 1 -5.632 -0.832 -3.064 1.00 0.00 S ATOM 228 H CYS B 1 -8.012 0.313 -2.564 1.00 0.00 H ATOM 229 HA CYS B 1 -8.945 -1.623 -4.821 1.00 0.00 H ATOM 230 HB2 CYS B 1 -7.637 -2.043 -2.513 1.00 0.00 H ATOM 231 HB3 CYS B 1 -6.834 -2.711 -3.917 1.00 0.00 H ATOM 232 N GLY B 2 -6.708 0.643 -5.811 1.00 0.00 N ATOM 233 CA GLY B 2 -5.940 1.105 -7.001 1.00 0.00 C ATOM 234 C GLY B 2 -6.309 2.515 -7.513 1.00 0.00 C ATOM 235 O GLY B 2 -5.452 3.397 -7.556 1.00 0.00 O ATOM 236 H GLY B 2 -6.891 1.244 -4.999 1.00 0.00 H ATOM 237 HA2 GLY B 2 -4.867 1.110 -6.731 1.00 0.00 H ATOM 238 HA3 GLY B 2 -6.008 0.398 -7.848 1.00 0.00 H ATOM 239 N ALA B 3 -7.565 2.729 -7.931 1.00 0.00 N ATOM 240 CA ALA B 3 -8.051 4.060 -8.384 1.00 0.00 C ATOM 241 C ALA B 3 -8.419 5.080 -7.261 1.00 0.00 C ATOM 242 O ALA B 3 -8.007 6.236 -7.387 1.00 0.00 O ATOM 243 CB ALA B 3 -9.221 3.752 -9.315 1.00 0.00 C ATOM 244 H ALA B 3 -8.223 1.964 -7.757 1.00 0.00 H ATOM 245 HA ALA B 3 -7.251 4.558 -8.984 1.00 0.00 H ATOM 246 HB1 ALA B 3 -10.047 3.256 -8.771 1.00 0.00 H ATOM 247 HB2 ALA B 3 -8.907 3.100 -10.150 1.00 0.00 H ATOM 248 HB3 ALA B 3 -9.616 4.688 -9.746 1.00 0.00 H ATOM 249 N GLU B 4 -9.138 4.709 -6.178 1.00 0.00 N ATOM 250 CA GLU B 4 -9.259 5.600 -4.981 1.00 0.00 C ATOM 251 C GLU B 4 -7.893 5.871 -4.243 1.00 0.00 C ATOM 252 O GLU B 4 -7.669 6.959 -3.702 1.00 0.00 O ATOM 253 CB GLU B 4 -10.467 5.177 -4.128 1.00 0.00 C ATOM 254 CG GLU B 4 -11.871 5.586 -4.704 1.00 0.00 C ATOM 255 CD GLU B 4 -12.105 7.029 -5.182 1.00 0.00 C ATOM 256 OE1 GLU B 4 -12.372 7.920 -4.351 1.00 0.00 O ATOM 257 OE2 GLU B 4 -12.039 7.278 -6.406 1.00 0.00 O ATOM 258 H GLU B 4 -9.677 3.841 -6.231 1.00 0.00 H ATOM 259 HA GLU B 4 -9.523 6.592 -5.347 1.00 0.00 H ATOM 260 HB2 GLU B 4 -10.409 4.086 -3.943 1.00 0.00 H ATOM 261 HB3 GLU B 4 -10.342 5.643 -3.136 1.00 0.00 H ATOM 262 HG2 GLU B 4 -12.124 4.941 -5.561 1.00 0.00 H ATOM 263 HG3 GLU B 4 -12.652 5.386 -3.952 1.00 0.00 H ATOM 264 N ALA B 5 -6.935 4.922 -4.283 1.00 0.00 N ATOM 265 CA ALA B 5 -5.509 5.223 -3.961 1.00 0.00 C ATOM 266 C ALA B 5 -4.924 6.286 -4.942 1.00 0.00 C ATOM 267 O ALA B 5 -4.343 7.254 -4.461 1.00 0.00 O ATOM 268 CB ALA B 5 -4.644 3.976 -4.186 1.00 0.00 C ATOM 269 H ALA B 5 -7.306 4.084 -4.757 1.00 0.00 H ATOM 270 HA ALA B 5 -5.370 5.616 -2.919 1.00 0.00 H ATOM 271 HB1 ALA B 5 -4.940 3.143 -3.544 1.00 0.00 H ATOM 272 HB2 ALA B 5 -3.576 4.220 -4.043 1.00 0.00 H ATOM 273 HB3 ALA B 5 -4.713 3.645 -5.241 1.00 0.00 H ATOM 274 N ALA B 6 -5.044 6.109 -6.279 1.00 0.00 N ATOM 275 CA ALA B 6 -4.499 7.069 -7.252 1.00 0.00 C ATOM 276 C ALA B 6 -5.030 8.561 -7.078 1.00 0.00 C ATOM 277 O ALA B 6 -4.265 9.521 -7.006 1.00 0.00 O ATOM 278 CB ALA B 6 -4.878 6.513 -8.618 1.00 0.00 C ATOM 279 H ALA B 6 -5.607 5.302 -6.603 1.00 0.00 H ATOM 280 HA ALA B 6 -3.404 6.920 -7.125 1.00 0.00 H ATOM 281 HB1 ALA B 6 -5.975 6.525 -8.752 1.00 0.00 H ATOM 282 HB2 ALA B 6 -4.523 5.478 -8.745 1.00 0.00 H ATOM 283 HB3 ALA B 6 -4.442 7.145 -9.407 1.00 0.00 H ATOM 284 N LYS B 7 -6.367 8.689 -6.972 1.00 0.00 N ATOM 285 CA LYS B 7 -7.133 9.900 -6.536 1.00 0.00 C ATOM 286 C LYS B 7 -6.636 10.528 -5.185 1.00 0.00 C ATOM 287 O LYS B 7 -6.359 11.728 -5.146 1.00 0.00 O ATOM 288 CB LYS B 7 -8.584 9.326 -6.445 1.00 0.00 C ATOM 289 CG LYS B 7 -9.741 10.176 -5.865 1.00 0.00 C ATOM 290 CD LYS B 7 -10.707 10.749 -6.925 1.00 0.00 C ATOM 291 CE LYS B 7 -12.157 10.735 -6.404 1.00 0.00 C ATOM 292 NZ LYS B 7 -13.064 11.239 -7.467 1.00 0.00 N ATOM 293 H LYS B 7 -6.849 7.807 -7.192 1.00 0.00 H ATOM 294 HA LYS B 7 -7.061 10.692 -7.314 1.00 0.00 H ATOM 295 HB2 LYS B 7 -8.886 8.877 -7.413 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.536 8.444 -5.778 1.00 0.00 H ATOM 297 HG2 LYS B 7 -10.300 9.495 -5.183 1.00 0.00 H ATOM 298 HG3 LYS B 7 -9.372 10.968 -5.184 1.00 0.00 H ATOM 299 HD2 LYS B 7 -10.368 11.764 -7.213 1.00 0.00 H ATOM 300 HD3 LYS B 7 -10.651 10.139 -7.850 1.00 0.00 H ATOM 301 HE2 LYS B 7 -12.435 9.692 -6.108 1.00 0.00 H ATOM 302 HE3 LYS B 7 -12.243 11.312 -5.455 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -13.001 10.647 -8.306 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -12.840 12.196 -7.764 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -14.053 11.221 -7.186 1.00 0.00 H ATOM 306 N ALA B 8 -6.500 9.746 -4.091 1.00 0.00 N ATOM 307 CA ALA B 8 -5.785 10.191 -2.865 1.00 0.00 C ATOM 308 C ALA B 8 -4.312 10.673 -3.068 1.00 0.00 C ATOM 309 O ALA B 8 -3.851 11.545 -2.340 1.00 0.00 O ATOM 310 CB ALA B 8 -5.649 8.987 -1.947 1.00 0.00 C ATOM 311 H ALA B 8 -6.858 8.787 -4.181 1.00 0.00 H ATOM 312 HA ALA B 8 -6.395 10.932 -2.308 1.00 0.00 H ATOM 313 HB1 ALA B 8 -4.962 8.238 -2.383 1.00 0.00 H ATOM 314 HB2 ALA B 8 -5.199 9.338 -1.003 1.00 0.00 H ATOM 315 HB3 ALA B 8 -6.621 8.523 -1.753 1.00 0.00 H ATOM 316 N HIS B 9 -3.560 10.017 -3.972 1.00 0.00 N ATOM 317 CA HIS B 9 -2.144 10.359 -4.287 1.00 0.00 C ATOM 318 C HIS B 9 -2.036 11.756 -4.993 1.00 0.00 C ATOM 319 O HIS B 9 -1.255 12.588 -4.540 1.00 0.00 O ATOM 320 CB HIS B 9 -1.589 9.090 -4.976 1.00 0.00 C ATOM 321 CG HIS B 9 -1.481 7.815 -4.107 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.338 6.553 -4.685 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.617 7.721 -2.723 1.00 0.00 C ATOM 324 CE1 HIS B 9 -1.260 5.735 -3.544 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.358 6.444 -2.388 1.00 0.00 N ATOM 326 H HIS B 9 -4.093 9.378 -4.602 1.00 0.00 H ATOM 327 HA HIS B 9 -1.545 10.460 -3.358 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.198 8.870 -5.871 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.583 9.331 -5.351 1.00 0.00 H ATOM 330 HD1 HIS B 9 -1.052 6.364 -5.653 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.890 8.540 -2.055 1.00 0.00 H ATOM 332 HE1 HIS B 9 -1.151 4.658 -3.658 1.00 0.00 H ATOM 333 N ALA B 10 -2.876 12.031 -6.009 1.00 0.00 N ATOM 334 CA ALA B 10 -3.115 13.391 -6.557 1.00 0.00 C ATOM 335 C ALA B 10 -3.612 14.466 -5.512 1.00 0.00 C ATOM 336 O ALA B 10 -3.009 15.537 -5.390 1.00 0.00 O ATOM 337 CB ALA B 10 -4.171 13.119 -7.660 1.00 0.00 C ATOM 338 H ALA B 10 -3.158 11.216 -6.559 1.00 0.00 H ATOM 339 HA ALA B 10 -2.188 13.779 -7.013 1.00 0.00 H ATOM 340 HB1 ALA B 10 -5.107 12.695 -7.240 1.00 0.00 H ATOM 341 HB2 ALA B 10 -4.463 14.048 -8.179 1.00 0.00 H ATOM 342 HB3 ALA B 10 -3.820 12.404 -8.428 1.00 0.00 H ATOM 343 N LYS B 11 -4.677 14.154 -4.738 1.00 0.00 N ATOM 344 CA LYS B 11 -5.152 15.029 -3.605 1.00 0.00 C ATOM 345 C LYS B 11 -4.076 15.380 -2.515 1.00 0.00 C ATOM 346 O LYS B 11 -3.968 16.508 -2.028 1.00 0.00 O ATOM 347 CB LYS B 11 -6.418 14.332 -3.033 1.00 0.00 C ATOM 348 CG LYS B 11 -7.081 15.024 -1.810 1.00 0.00 C ATOM 349 CD LYS B 11 -6.756 14.296 -0.483 1.00 0.00 C ATOM 350 CE LYS B 11 -6.915 15.199 0.749 1.00 0.00 C ATOM 351 NZ LYS B 11 -6.830 14.351 1.972 1.00 0.00 N ATOM 352 H LYS B 11 -4.825 13.126 -4.745 1.00 0.00 H ATOM 353 HA LYS B 11 -5.465 16.007 -4.026 1.00 0.00 H ATOM 354 HB2 LYS B 11 -7.159 14.268 -3.851 1.00 0.00 H ATOM 355 HB3 LYS B 11 -6.178 13.276 -2.795 1.00 0.00 H ATOM 356 HG2 LYS B 11 -6.772 16.094 -1.782 1.00 0.00 H ATOM 357 HG3 LYS B 11 -8.178 15.071 -1.953 1.00 0.00 H ATOM 358 HD2 LYS B 11 -7.391 13.388 -0.410 1.00 0.00 H ATOM 359 HD3 LYS B 11 -5.716 13.907 -0.499 1.00 0.00 H ATOM 360 HE2 LYS B 11 -6.124 15.987 0.733 1.00 0.00 H ATOM 361 HE3 LYS B 11 -7.875 15.760 0.705 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -6.043 14.515 2.617 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -6.619 13.335 1.790 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -7.668 14.271 2.553 1.00 0.00 H ATOM 365 N ALA B 12 -3.302 14.370 -2.120 1.00 0.00 N ATOM 366 CA ALA B 12 -2.077 14.541 -1.321 1.00 0.00 C ATOM 367 C ALA B 12 -1.014 15.405 -2.092 1.00 0.00 C ATOM 368 O ALA B 12 -0.793 16.534 -1.699 1.00 0.00 O ATOM 369 CB ALA B 12 -1.666 13.125 -0.891 1.00 0.00 C ATOM 370 H ALA B 12 -3.642 13.471 -2.474 1.00 0.00 H ATOM 371 HA ALA B 12 -2.348 15.098 -0.406 1.00 0.00 H ATOM 372 HB1 ALA B 12 -2.499 12.585 -0.408 1.00 0.00 H ATOM 373 HB2 ALA B 12 -1.326 12.516 -1.750 1.00 0.00 H ATOM 374 HB3 ALA B 12 -0.849 13.155 -0.159 1.00 0.00 H ATOM 375 N ALA B 13 -0.387 14.994 -3.192 1.00 0.00 N ATOM 376 CA ALA B 13 0.441 15.881 -4.092 1.00 0.00 C ATOM 377 C ALA B 13 0.017 17.397 -4.320 1.00 0.00 C ATOM 378 O ALA B 13 0.853 18.268 -4.570 1.00 0.00 O ATOM 379 CB ALA B 13 0.549 15.051 -5.377 1.00 0.00 C ATOM 380 H ALA B 13 -0.356 13.977 -3.199 1.00 0.00 H ATOM 381 HA ALA B 13 1.454 15.950 -3.660 1.00 0.00 H ATOM 382 HB1 ALA B 13 0.951 14.036 -5.180 1.00 0.00 H ATOM 383 HB2 ALA B 13 -0.447 14.916 -5.839 1.00 0.00 H ATOM 384 HB3 ALA B 13 1.208 15.534 -6.114 1.00 0.00 H ATOM 385 N GLU B 14 -1.293 17.645 -4.214 1.00 0.00 N ATOM 386 CA GLU B 14 -1.924 18.992 -4.067 1.00 0.00 C ATOM 387 C GLU B 14 -1.704 19.584 -2.606 1.00 0.00 C ATOM 388 O GLU B 14 -0.897 20.505 -2.451 1.00 0.00 O ATOM 389 CB GLU B 14 -3.400 18.812 -4.559 1.00 0.00 C ATOM 390 CG GLU B 14 -4.475 19.889 -4.203 1.00 0.00 C ATOM 391 CD GLU B 14 -5.529 19.486 -3.171 1.00 0.00 C ATOM 392 OE1 GLU B 14 -6.200 18.445 -3.355 1.00 0.00 O ATOM 393 OE2 GLU B 14 -5.701 20.211 -2.172 1.00 0.00 O ATOM 394 H GLU B 14 -1.748 16.750 -3.972 1.00 0.00 H ATOM 395 HA GLU B 14 -1.433 19.702 -4.760 1.00 0.00 H ATOM 396 HB2 GLU B 14 -3.365 18.712 -5.661 1.00 0.00 H ATOM 397 HB3 GLU B 14 -3.796 17.830 -4.238 1.00 0.00 H ATOM 398 HG2 GLU B 14 -4.009 20.831 -3.863 1.00 0.00 H ATOM 399 HG3 GLU B 14 -5.049 20.160 -5.103 1.00 0.00 H ATOM 400 N ALA B 15 -2.368 19.068 -1.545 1.00 0.00 N ATOM 401 CA ALA B 15 -2.154 19.521 -0.126 1.00 0.00 C ATOM 402 C ALA B 15 -1.159 18.678 0.775 1.00 0.00 C ATOM 403 O ALA B 15 -0.345 19.241 1.512 1.00 0.00 O ATOM 404 CB ALA B 15 -3.566 19.630 0.483 1.00 0.00 C ATOM 405 H ALA B 15 -3.168 18.487 -1.846 1.00 0.00 H ATOM 406 HA ALA B 15 -1.736 20.547 -0.133 1.00 0.00 H ATOM 407 HB1 ALA B 15 -4.092 18.658 0.494 1.00 0.00 H ATOM 408 HB2 ALA B 15 -3.535 20.012 1.519 1.00 0.00 H ATOM 409 HB3 ALA B 15 -4.201 20.329 -0.096 1.00 0.00 H ATOM 410 N GLY B 16 -1.281 17.341 0.777 1.00 0.00 N ATOM 411 CA GLY B 16 -0.280 16.392 1.353 1.00 0.00 C ATOM 412 C GLY B 16 1.009 16.156 0.520 1.00 0.00 C ATOM 413 O GLY B 16 1.787 17.073 0.257 1.00 0.00 O ATOM 414 H GLY B 16 -1.735 17.102 -0.116 1.00 0.00 H ATOM 415 HA2 GLY B 16 0.020 16.668 2.362 1.00 0.00 H ATOM 416 HA3 GLY B 16 -0.807 15.417 1.414 1.00 0.00 H ATOM 417 N CYS B 17 1.236 14.892 0.120 1.00 0.00 N ATOM 418 CA CYS B 17 2.249 14.522 -0.898 1.00 0.00 C ATOM 419 C CYS B 17 1.941 13.144 -1.590 1.00 0.00 C ATOM 420 O CYS B 17 1.305 12.248 -1.035 1.00 0.00 O ATOM 421 CB CYS B 17 3.615 14.454 -0.176 1.00 0.00 C ATOM 422 SG CYS B 17 3.608 13.032 0.946 1.00 0.00 S ATOM 423 H CYS B 17 0.603 14.184 0.492 1.00 0.00 H ATOM 424 HA CYS B 17 2.170 15.302 -1.701 1.00 0.00 H ATOM 425 HB2 CYS B 17 4.434 14.334 -0.905 1.00 0.00 H ATOM 426 HB3 CYS B 17 3.824 15.381 0.392 1.00 0.00 H HETATM 427 N NH2 B 18 2.393 12.883 -2.800 1.00 0.00 N HETATM 428 HN1 NH2 B 18 2.250 11.903 -3.103 1.00 0.00 H HETATM 429 HN2 NH2 B 18 3.009 13.573 -3.235 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -1.078 5.687 -0.273 1.00 0.00 CO HETATM 432 C PC3 A 20 -2.521 9.592 1.331 1.00 0.00 C HETATM 433 C1 PC3 A 20 -1.077 9.787 1.362 1.00 0.00 C HETATM 434 C2A PC3 A 20 -0.517 8.580 0.815 1.00 0.00 C HETATM 435 N2B PC3 A 20 -1.447 7.617 0.501 1.00 0.00 N HETATM 436 C2C PC3 A 20 -2.647 8.239 0.832 1.00 0.00 C HETATM 437 CA PC3 A 20 0.900 8.346 0.592 1.00 0.00 C HETATM 438 C4C PC3 A 20 1.581 7.214 -0.033 1.00 0.00 C HETATM 439 C2 PC3 A 20 2.977 7.181 -0.346 1.00 0.00 C HETATM 440 C3 PC3 A 20 3.219 5.828 -0.807 1.00 0.00 C HETATM 441 C4A PC3 A 20 1.926 5.243 -0.864 1.00 0.00 C HETATM 442 N4B PC3 A 20 0.916 6.060 -0.390 1.00 0.00 N HETATM 443 CB PC3 A 20 1.655 3.913 -1.375 1.00 0.00 C HETATM 444 C6C PC3 A 20 0.395 3.225 -1.483 1.00 0.00 C HETATM 445 C4 PC3 A 20 0.234 1.921 -2.015 1.00 0.00 C HETATM 446 C5 PC3 A 20 -1.188 1.697 -1.966 1.00 0.00 C HETATM 447 C6A PC3 A 20 -1.719 2.855 -1.369 1.00 0.00 C HETATM 448 N6B PC3 A 20 -0.784 3.813 -1.076 1.00 0.00 N HETATM 449 CC PC3 A 20 -3.114 3.039 -1.086 1.00 0.00 C HETATM 450 C8C PC3 A 20 -3.800 4.197 -0.541 1.00 0.00 C HETATM 451 C6 PC3 A 20 -5.205 4.263 -0.318 1.00 0.00 C HETATM 452 C7 PC3 A 20 -5.445 5.610 0.138 1.00 0.00 C HETATM 453 C8A PC3 A 20 -4.147 6.194 0.213 1.00 0.00 C HETATM 454 N8B PC3 A 20 -3.124 5.347 -0.192 1.00 0.00 N HETATM 455 CD PC3 A 20 -3.897 7.544 0.670 1.00 0.00 C HETATM 456 C8 PC3 A 20 4.537 5.242 -1.326 1.00 0.00 C HETATM 457 C9 PC3 A 20 -0.321 11.015 1.868 1.00 0.00 C HETATM 458 C10 PC3 A 20 -6.813 6.198 0.485 1.00 0.00 C HETATM 459 C11 PC3 A 20 -2.002 0.589 -2.592 1.00 0.00 C HETATM 460 C12 PC3 A 20 3.865 8.388 -0.710 1.00 0.00 C HETATM 461 CX5 PC3 A 20 3.192 9.531 -1.535 1.00 0.00 C HETATM 462 C14 PC3 A 20 -3.600 10.658 1.534 1.00 0.00 C HETATM 463 C15 PC3 A 20 -4.529 10.503 2.757 1.00 0.00 C HETATM 464 C16 PC3 A 20 -6.241 3.153 -0.489 1.00 0.00 C HETATM 465 C17 PC3 A 20 -6.045 1.998 0.524 1.00 0.00 C HETATM 466 C18 PC3 A 20 1.297 1.069 -2.693 1.00 0.00 C HETATM 467 C19 PC3 A 20 2.249 0.476 -1.641 1.00 0.00 C HETATM 468 C21 PC3 A 20 -5.562 11.617 2.761 1.00 0.00 C HETATM 469 O1 PC3 A 20 -6.423 11.636 1.855 1.00 0.00 O HETATM 470 O2 PC3 A 20 -5.456 12.547 3.578 1.00 0.00 O HETATM 471 C22 PC3 A 20 2.200 9.238 -2.682 1.00 0.00 C HETATM 472 O3 PC3 A 20 2.270 9.942 -3.704 1.00 0.00 O HETATM 473 O22 PC3 A 20 1.278 8.398 -2.536 1.00 0.00 O HETATM 474 C23 PC3 A 20 2.864 1.528 -0.737 1.00 0.00 C HETATM 475 O23 PC3 A 20 4.038 1.390 -0.349 1.00 0.00 O HETATM 476 O4 PC3 A 20 2.141 2.500 -0.368 1.00 0.00 O HETATM 477 C24 PC3 A 20 -6.845 0.750 0.216 1.00 0.00 C HETATM 478 O5 PC3 A 20 -7.182 0.026 1.168 1.00 0.00 O HETATM 479 O6 PC3 A 20 -7.068 0.451 -0.975 1.00 0.00 O HETATM 480 HA PC3 A 20 1.545 9.176 0.855 1.00 0.00 H HETATM 481 HB PC3 A 20 2.517 3.366 -1.745 1.00 0.00 H HETATM 482 HC PC3 A 20 -3.748 2.200 -1.356 1.00 0.00 H HETATM 483 HD PC3 A 20 -4.771 8.113 0.962 1.00 0.00 H HETATM 484 H81 PC3 A 20 4.613 4.155 -1.122 1.00 0.00 H HETATM 485 H82 PC3 A 20 4.640 5.384 -2.418 1.00 0.00 H HETATM 486 H83 PC3 A 20 5.414 5.716 -0.849 1.00 0.00 H HETATM 487 H91 PC3 A 20 -0.992 11.845 2.158 1.00 0.00 H HETATM 488 H92 PC3 A 20 0.365 11.416 1.101 1.00 0.00 H HETATM 489 H93 PC3 A 20 0.290 10.782 2.759 1.00 0.00 H HETATM 490 H101 PC3 A 20 -6.825 7.301 0.556 1.00 0.00 H HETATM 491 H102 PC3 A 20 -7.196 5.803 1.445 1.00 0.00 H HETATM 492 H103 PC3 A 20 -7.570 5.939 -0.282 1.00 0.00 H HETATM 493 H111 PC3 A 20 -2.897 0.350 -1.988 1.00 0.00 H HETATM 494 H112 PC3 A 20 -1.406 -0.339 -2.688 1.00 0.00 H HETATM 495 H113 PC3 A 20 -2.348 0.853 -3.608 1.00 0.00 H HETATM 496 H121 PC3 A 20 4.319 8.809 0.207 1.00 0.00 H HETATM 497 H122 PC3 A 20 4.732 8.034 -1.301 1.00 0.00 H HETATM 498 H221 PC3 A 20 2.661 10.204 -0.845 1.00 0.00 H HETATM 499 H222 PC3 A 20 3.988 10.173 -1.955 1.00 0.00 H HETATM 500 H141 PC3 A 20 -3.130 11.658 1.595 1.00 0.00 H HETATM 501 H142 PC3 A 20 -4.213 10.723 0.614 1.00 0.00 H HETATM 502 H151 PC3 A 20 -5.072 9.544 2.763 1.00 0.00 H HETATM 503 H152 PC3 A 20 -3.960 10.551 3.704 1.00 0.00 H HETATM 504 H161 PC3 A 20 -7.276 3.536 -0.392 1.00 0.00 H HETATM 505 H162 PC3 A 20 -6.206 2.760 -1.524 1.00 0.00 H HETATM 506 H171 PC3 A 20 -5.001 1.653 0.581 1.00 0.00 H HETATM 507 H172 PC3 A 20 -6.312 2.322 1.545 1.00 0.00 H HETATM 508 H181 PC3 A 20 0.840 0.258 -3.289 1.00 0.00 H HETATM 509 H182 PC3 A 20 1.876 1.687 -3.405 1.00 0.00 H HETATM 510 H192 PC3 A 20 1.719 -0.247 -0.997 1.00 0.00 H HETATM 511 H191 PC3 A 20 3.063 -0.092 -2.125 1.00 0.00 H