HETATM 1 C ACE A 0 -0.436 -3.119 -1.121 1.00 0.00 C HETATM 2 O ACE A 0 -0.070 -1.949 -1.126 1.00 0.00 O HETATM 3 CH3 ACE A 0 0.563 -4.240 -1.316 1.00 0.00 C HETATM 4 H1 ACE A 0 0.555 -4.947 -0.468 1.00 0.00 H HETATM 5 H2 ACE A 0 0.371 -4.793 -2.252 1.00 0.00 H HETATM 6 H3 ACE A 0 1.584 -3.824 -1.381 1.00 0.00 H ATOM 7 N CYS A 1 -1.695 -3.513 -0.943 1.00 0.00 N ATOM 8 CA CYS A 1 -2.799 -2.524 -0.647 1.00 0.00 C ATOM 9 C CYS A 1 -3.220 -2.350 0.860 1.00 0.00 C ATOM 10 O CYS A 1 -3.864 -1.342 1.148 1.00 0.00 O ATOM 11 CB CYS A 1 -3.985 -2.935 -1.556 1.00 0.00 C ATOM 12 SG CYS A 1 -5.377 -1.797 -1.328 1.00 0.00 S ATOM 13 H CYS A 1 -1.802 -4.539 -1.064 1.00 0.00 H ATOM 14 HA CYS A 1 -2.527 -1.468 -0.940 1.00 0.00 H ATOM 15 HB2 CYS A 1 -3.698 -2.918 -2.626 1.00 0.00 H ATOM 16 HB3 CYS A 1 -4.336 -3.960 -1.338 1.00 0.00 H ATOM 17 N GLY A 2 -2.888 -3.240 1.823 1.00 0.00 N ATOM 18 CA GLY A 2 -3.309 -3.074 3.245 1.00 0.00 C ATOM 19 C GLY A 2 -2.178 -2.712 4.230 1.00 0.00 C ATOM 20 O GLY A 2 -2.080 -1.557 4.636 1.00 0.00 O ATOM 21 H GLY A 2 -2.231 -3.970 1.537 1.00 0.00 H ATOM 22 HA2 GLY A 2 -4.094 -2.294 3.347 1.00 0.00 H ATOM 23 HA3 GLY A 2 -3.820 -3.992 3.586 1.00 0.00 H ATOM 24 N ALA A 3 -1.355 -3.681 4.672 1.00 0.00 N ATOM 25 CA ALA A 3 -0.326 -3.434 5.718 1.00 0.00 C ATOM 26 C ALA A 3 1.058 -2.903 5.242 1.00 0.00 C ATOM 27 O ALA A 3 1.619 -2.061 5.940 1.00 0.00 O ATOM 28 CB ALA A 3 -0.217 -4.737 6.493 1.00 0.00 C ATOM 29 H ALA A 3 -1.404 -4.600 4.230 1.00 0.00 H ATOM 30 HA ALA A 3 -0.705 -2.666 6.428 1.00 0.00 H ATOM 31 HB1 ALA A 3 0.487 -4.601 7.332 1.00 0.00 H ATOM 32 HB2 ALA A 3 0.166 -5.548 5.848 1.00 0.00 H ATOM 33 HB3 ALA A 3 -1.197 -5.027 6.910 1.00 0.00 H ATOM 34 N GLU A 4 1.630 -3.355 4.110 1.00 0.00 N ATOM 35 CA GLU A 4 2.801 -2.658 3.495 1.00 0.00 C ATOM 36 C GLU A 4 2.457 -1.207 2.974 1.00 0.00 C ATOM 37 O GLU A 4 3.252 -0.274 3.114 1.00 0.00 O ATOM 38 CB GLU A 4 3.443 -3.573 2.457 1.00 0.00 C ATOM 39 CG GLU A 4 4.276 -4.774 3.011 1.00 0.00 C ATOM 40 CD GLU A 4 5.403 -4.434 3.990 1.00 0.00 C ATOM 41 OE1 GLU A 4 6.515 -4.094 3.541 1.00 0.00 O ATOM 42 OE2 GLU A 4 5.174 -4.496 5.217 1.00 0.00 O ATOM 43 H GLU A 4 1.315 -4.257 3.747 1.00 0.00 H ATOM 44 HA GLU A 4 3.593 -2.551 4.238 1.00 0.00 H ATOM 45 HB2 GLU A 4 2.640 -3.898 1.775 1.00 0.00 H ATOM 46 HB3 GLU A 4 4.122 -2.917 1.890 1.00 0.00 H ATOM 47 HG2 GLU A 4 3.623 -5.501 3.521 1.00 0.00 H ATOM 48 HG3 GLU A 4 4.744 -5.327 2.180 1.00 0.00 H ATOM 49 N ALA A 5 1.245 -1.008 2.412 1.00 0.00 N ATOM 50 CA ALA A 5 0.670 0.350 2.171 1.00 0.00 C ATOM 51 C ALA A 5 0.565 1.187 3.488 1.00 0.00 C ATOM 52 O ALA A 5 1.082 2.300 3.489 1.00 0.00 O ATOM 53 CB ALA A 5 -0.739 0.129 1.603 1.00 0.00 C ATOM 54 H ALA A 5 0.703 -1.887 2.427 1.00 0.00 H ATOM 55 HA ALA A 5 1.278 0.961 1.445 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.719 -0.413 0.648 1.00 0.00 H ATOM 57 HB2 ALA A 5 -1.369 -0.456 2.304 1.00 0.00 H ATOM 58 HB3 ALA A 5 -1.278 1.077 1.447 1.00 0.00 H ATOM 59 N ALA A 6 -0.052 0.691 4.583 1.00 0.00 N ATOM 60 CA ALA A 6 0.020 1.343 5.922 1.00 0.00 C ATOM 61 C ALA A 6 1.460 1.602 6.500 1.00 0.00 C ATOM 62 O ALA A 6 1.689 2.669 7.067 1.00 0.00 O ATOM 63 CB ALA A 6 -0.672 0.357 6.849 1.00 0.00 C ATOM 64 H ALA A 6 -0.420 -0.277 4.495 1.00 0.00 H ATOM 65 HA ALA A 6 -0.592 2.289 5.920 1.00 0.00 H ATOM 66 HB1 ALA A 6 -0.705 0.766 7.870 1.00 0.00 H ATOM 67 HB2 ALA A 6 -0.096 -0.585 6.897 1.00 0.00 H ATOM 68 HB3 ALA A 6 -1.693 0.130 6.507 1.00 0.00 H ATOM 69 N LYS A 7 2.413 0.646 6.367 1.00 0.00 N ATOM 70 CA LYS A 7 3.859 0.873 6.658 1.00 0.00 C ATOM 71 C LYS A 7 4.499 2.041 5.836 1.00 0.00 C ATOM 72 O LYS A 7 5.232 2.849 6.407 1.00 0.00 O ATOM 73 CB LYS A 7 4.562 -0.498 6.455 1.00 0.00 C ATOM 74 CG LYS A 7 6.091 -0.561 6.658 1.00 0.00 C ATOM 75 CD LYS A 7 6.554 -0.167 8.082 1.00 0.00 C ATOM 76 CE LYS A 7 8.077 -0.222 8.293 1.00 0.00 C ATOM 77 NZ LYS A 7 8.526 -1.649 8.243 1.00 0.00 N ATOM 78 H LYS A 7 2.083 -0.262 5.984 1.00 0.00 H ATOM 79 HA LYS A 7 3.944 1.173 7.725 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.076 -1.267 7.088 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.365 -0.845 5.422 1.00 0.00 H ATOM 82 HG2 LYS A 7 6.406 -1.594 6.401 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.584 0.078 5.897 1.00 0.00 H ATOM 84 HD2 LYS A 7 6.219 0.872 8.285 1.00 0.00 H ATOM 85 HD3 LYS A 7 6.018 -0.777 8.839 1.00 0.00 H ATOM 86 HE2 LYS A 7 8.590 0.406 7.527 1.00 0.00 H ATOM 87 HE3 LYS A 7 8.335 0.254 9.268 1.00 0.00 H ATOM 88 HZ1 LYS A 7 8.280 -2.098 7.346 1.00 0.00 H ATOM 89 HZ2 LYS A 7 9.536 -1.796 8.365 1.00 0.00 H ATOM 90 HZ3 LYS A 7 8.054 -2.240 8.941 1.00 0.00 H ATOM 91 N ALA A 8 4.236 2.132 4.523 1.00 0.00 N ATOM 92 CA ALA A 8 4.535 3.335 3.713 1.00 0.00 C ATOM 93 C ALA A 8 3.785 4.638 4.167 1.00 0.00 C ATOM 94 O ALA A 8 4.392 5.701 4.182 1.00 0.00 O ATOM 95 CB ALA A 8 4.126 2.998 2.294 1.00 0.00 C ATOM 96 H ALA A 8 3.802 1.287 4.124 1.00 0.00 H ATOM 97 HA ALA A 8 5.626 3.502 3.650 1.00 0.00 H ATOM 98 HB1 ALA A 8 4.381 3.850 1.642 1.00 0.00 H ATOM 99 HB2 ALA A 8 4.658 2.096 1.950 1.00 0.00 H ATOM 100 HB3 ALA A 8 3.041 2.823 2.235 1.00 0.00 H ATOM 101 N HIS A 9 2.484 4.564 4.520 1.00 0.00 N ATOM 102 CA HIS A 9 1.718 5.679 5.166 1.00 0.00 C ATOM 103 C HIS A 9 2.315 6.201 6.539 1.00 0.00 C ATOM 104 O HIS A 9 2.515 7.412 6.674 1.00 0.00 O ATOM 105 CB HIS A 9 0.240 5.189 5.117 1.00 0.00 C ATOM 106 CG HIS A 9 -0.450 4.841 3.764 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.428 3.837 3.667 1.00 0.00 N ATOM 108 CD2 HIS A 9 -0.148 5.321 2.498 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.736 3.827 2.289 1.00 0.00 C ATOM 110 NE2 HIS A 9 -1.001 4.751 1.627 1.00 0.00 N ATOM 111 H HIS A 9 2.055 3.618 4.407 1.00 0.00 H ATOM 112 HA HIS A 9 1.783 6.596 4.560 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.195 4.295 5.764 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.377 5.937 5.629 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.891 3.299 4.411 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.618 6.025 2.206 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.466 3.135 1.881 1.00 0.00 H ATOM 118 N ALA A 10 2.640 5.335 7.520 1.00 0.00 N ATOM 119 CA ALA A 10 3.485 5.700 8.685 1.00 0.00 C ATOM 120 C ALA A 10 4.926 6.226 8.343 1.00 0.00 C ATOM 121 O ALA A 10 5.305 7.302 8.814 1.00 0.00 O ATOM 122 CB ALA A 10 3.538 4.387 9.496 1.00 0.00 C ATOM 123 H ALA A 10 1.903 4.664 7.768 1.00 0.00 H ATOM 124 HA ALA A 10 2.987 6.488 9.278 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.146 4.507 10.411 1.00 0.00 H ATOM 126 HB2 ALA A 10 4.006 3.566 8.914 1.00 0.00 H ATOM 127 HB3 ALA A 10 2.538 4.034 9.806 1.00 0.00 H ATOM 128 N LYS A 11 5.688 5.509 7.481 1.00 0.00 N ATOM 129 CA LYS A 11 6.994 6.026 6.936 1.00 0.00 C ATOM 130 C LYS A 11 6.934 7.470 6.327 1.00 0.00 C ATOM 131 O LYS A 11 7.801 8.306 6.582 1.00 0.00 O ATOM 132 CB LYS A 11 7.554 4.948 5.960 1.00 0.00 C ATOM 133 CG LYS A 11 8.917 5.219 5.268 1.00 0.00 C ATOM 134 CD LYS A 11 10.106 5.430 6.238 1.00 0.00 C ATOM 135 CE LYS A 11 10.725 6.838 6.123 1.00 0.00 C ATOM 136 NZ LYS A 11 11.590 7.069 7.312 1.00 0.00 N ATOM 137 H LYS A 11 5.084 4.853 6.949 1.00 0.00 H ATOM 138 HA LYS A 11 7.694 6.102 7.791 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.615 3.984 6.499 1.00 0.00 H ATOM 140 HB3 LYS A 11 6.803 4.783 5.166 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.147 4.373 4.591 1.00 0.00 H ATOM 142 HG3 LYS A 11 8.799 6.079 4.574 1.00 0.00 H ATOM 143 HD2 LYS A 11 9.774 5.236 7.281 1.00 0.00 H ATOM 144 HD3 LYS A 11 10.882 4.662 6.058 1.00 0.00 H ATOM 145 HE2 LYS A 11 11.283 6.959 5.169 1.00 0.00 H ATOM 146 HE3 LYS A 11 9.937 7.617 6.084 1.00 0.00 H ATOM 147 HZ1 LYS A 11 11.947 8.024 7.448 1.00 0.00 H ATOM 148 HZ2 LYS A 11 11.038 6.994 8.208 1.00 0.00 H ATOM 149 HZ3 LYS A 11 12.360 6.417 7.476 1.00 0.00 H ATOM 150 N ALA A 12 5.882 7.743 5.556 1.00 0.00 N ATOM 151 CA ALA A 12 5.499 9.091 5.108 1.00 0.00 C ATOM 152 C ALA A 12 5.266 10.082 6.303 1.00 0.00 C ATOM 153 O ALA A 12 6.145 10.849 6.649 1.00 0.00 O ATOM 154 CB ALA A 12 4.281 8.854 4.201 1.00 0.00 C ATOM 155 H ALA A 12 5.359 6.911 5.272 1.00 0.00 H ATOM 156 HA ALA A 12 6.315 9.478 4.481 1.00 0.00 H ATOM 157 HB1 ALA A 12 3.390 8.483 4.723 1.00 0.00 H ATOM 158 HB2 ALA A 12 3.998 9.792 3.698 1.00 0.00 H ATOM 159 HB3 ALA A 12 4.509 8.139 3.393 1.00 0.00 H ATOM 160 N ALA A 13 4.138 10.035 6.998 1.00 0.00 N ATOM 161 CA ALA A 13 3.889 10.753 8.298 1.00 0.00 C ATOM 162 C ALA A 13 5.052 10.946 9.367 1.00 0.00 C ATOM 163 O ALA A 13 5.021 11.863 10.190 1.00 0.00 O ATOM 164 CB ALA A 13 2.686 9.977 8.860 1.00 0.00 C ATOM 165 H ALA A 13 3.565 9.317 6.569 1.00 0.00 H ATOM 166 HA ALA A 13 3.558 11.781 8.057 1.00 0.00 H ATOM 167 HB1 ALA A 13 2.320 10.431 9.794 1.00 0.00 H ATOM 168 HB2 ALA A 13 2.963 8.928 9.083 1.00 0.00 H ATOM 169 HB3 ALA A 13 1.837 9.947 8.149 1.00 0.00 H ATOM 170 N GLU A 14 6.039 10.050 9.314 1.00 0.00 N ATOM 171 CA GLU A 14 7.359 10.147 10.012 1.00 0.00 C ATOM 172 C GLU A 14 8.384 11.081 9.241 1.00 0.00 C ATOM 173 O GLU A 14 8.679 12.180 9.717 1.00 0.00 O ATOM 174 CB GLU A 14 7.802 8.663 10.233 1.00 0.00 C ATOM 175 CG GLU A 14 9.193 8.370 10.877 1.00 0.00 C ATOM 176 CD GLU A 14 10.173 7.556 10.039 1.00 0.00 C ATOM 177 OE1 GLU A 14 9.811 6.510 9.460 1.00 0.00 O ATOM 178 OE2 GLU A 14 11.330 7.989 9.886 1.00 0.00 O ATOM 179 H GLU A 14 5.857 9.487 8.465 1.00 0.00 H ATOM 180 HA GLU A 14 7.211 10.600 11.011 1.00 0.00 H ATOM 181 HB2 GLU A 14 7.033 8.168 10.859 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.736 8.121 9.270 1.00 0.00 H ATOM 183 HG2 GLU A 14 9.700 9.309 11.166 1.00 0.00 H ATOM 184 HG3 GLU A 14 9.066 7.821 11.824 1.00 0.00 H ATOM 185 N ALA A 15 8.927 10.665 8.075 1.00 0.00 N ATOM 186 CA ALA A 15 9.787 11.526 7.192 1.00 0.00 C ATOM 187 C ALA A 15 9.119 12.196 5.923 1.00 0.00 C ATOM 188 O ALA A 15 9.434 13.346 5.609 1.00 0.00 O ATOM 189 CB ALA A 15 11.016 10.672 6.829 1.00 0.00 C ATOM 190 H ALA A 15 8.692 9.682 7.892 1.00 0.00 H ATOM 191 HA ALA A 15 10.166 12.381 7.788 1.00 0.00 H ATOM 192 HB1 ALA A 15 10.740 9.830 6.171 1.00 0.00 H ATOM 193 HB2 ALA A 15 11.512 10.269 7.733 1.00 0.00 H ATOM 194 HB3 ALA A 15 11.768 11.278 6.289 1.00 0.00 H ATOM 195 N GLY A 16 8.295 11.466 5.146 1.00 0.00 N ATOM 196 CA GLY A 16 7.400 12.044 4.092 1.00 0.00 C ATOM 197 C GLY A 16 6.206 12.876 4.617 1.00 0.00 C ATOM 198 O GLY A 16 6.380 13.804 5.410 1.00 0.00 O ATOM 199 H GLY A 16 7.925 10.680 5.690 1.00 0.00 H ATOM 200 HA2 GLY A 16 7.934 12.634 3.358 1.00 0.00 H ATOM 201 HA3 GLY A 16 6.964 11.182 3.547 1.00 0.00 H ATOM 202 N CYS A 17 4.976 12.515 4.204 1.00 0.00 N ATOM 203 CA CYS A 17 3.752 13.041 4.841 1.00 0.00 C ATOM 204 C CYS A 17 2.547 12.125 4.515 1.00 0.00 C ATOM 205 O CYS A 17 1.536 12.455 3.887 1.00 0.00 O ATOM 206 CB CYS A 17 3.519 14.491 4.346 1.00 0.00 C ATOM 207 SG CYS A 17 3.342 14.457 2.545 1.00 0.00 S ATOM 208 H CYS A 17 4.953 11.945 3.347 1.00 0.00 H ATOM 209 HA CYS A 17 3.925 12.933 5.953 1.00 0.00 H ATOM 210 HB2 CYS A 17 2.609 14.920 4.798 1.00 0.00 H ATOM 211 HB3 CYS A 17 4.364 15.148 4.620 1.00 0.00 H HETATM 212 N NH2 A 18 2.687 10.915 5.013 1.00 0.00 N HETATM 213 HN1 NH2 A 18 3.538 10.669 5.531 1.00 0.00 H HETATM 214 HN2 NH2 A 18 1.946 10.218 4.884 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -9.599 0.322 -5.976 1.00 0.00 C HETATM 217 O ACE B 0 -9.454 1.536 -6.070 1.00 0.00 O HETATM 218 CH3 ACE B 0 -10.857 -0.347 -6.482 1.00 0.00 C HETATM 219 H1 ACE B 0 -11.594 0.418 -6.787 1.00 0.00 H HETATM 220 H2 ACE B 0 -10.654 -0.982 -7.362 1.00 0.00 H HETATM 221 H3 ACE B 0 -11.333 -0.962 -5.698 1.00 0.00 H ATOM 222 N CYS B 1 -8.675 -0.502 -5.487 1.00 0.00 N ATOM 223 CA CYS B 1 -7.398 0.013 -4.853 1.00 0.00 C ATOM 224 C CYS B 1 -6.334 0.706 -5.804 1.00 0.00 C ATOM 225 O CYS B 1 -5.367 1.269 -5.290 1.00 0.00 O ATOM 226 CB CYS B 1 -6.786 -1.170 -4.056 1.00 0.00 C ATOM 227 SG CYS B 1 -5.572 -0.536 -2.877 1.00 0.00 S ATOM 228 H CYS B 1 -8.922 -1.486 -5.687 1.00 0.00 H ATOM 229 HA CYS B 1 -7.630 0.807 -4.082 1.00 0.00 H ATOM 230 HB2 CYS B 1 -7.540 -1.708 -3.451 1.00 0.00 H ATOM 231 HB3 CYS B 1 -6.291 -1.920 -4.700 1.00 0.00 H ATOM 232 N GLY B 2 -6.478 0.694 -7.154 1.00 0.00 N ATOM 233 CA GLY B 2 -5.633 1.527 -8.062 1.00 0.00 C ATOM 234 C GLY B 2 -6.113 2.979 -8.319 1.00 0.00 C ATOM 235 O GLY B 2 -5.312 3.905 -8.219 1.00 0.00 O ATOM 236 H GLY B 2 -7.325 0.221 -7.488 1.00 0.00 H ATOM 237 HA2 GLY B 2 -4.591 1.576 -7.688 1.00 0.00 H ATOM 238 HA3 GLY B 2 -5.545 1.027 -9.043 1.00 0.00 H ATOM 239 N ALA B 3 -7.387 3.192 -8.684 1.00 0.00 N ATOM 240 CA ALA B 3 -7.964 4.555 -8.853 1.00 0.00 C ATOM 241 C ALA B 3 -8.331 5.340 -7.551 1.00 0.00 C ATOM 242 O ALA B 3 -8.043 6.539 -7.501 1.00 0.00 O ATOM 243 CB ALA B 3 -9.165 4.368 -9.777 1.00 0.00 C ATOM 244 H ALA B 3 -7.991 2.368 -8.697 1.00 0.00 H ATOM 245 HA ALA B 3 -7.227 5.194 -9.389 1.00 0.00 H ATOM 246 HB1 ALA B 3 -9.941 3.740 -9.302 1.00 0.00 H ATOM 247 HB2 ALA B 3 -8.865 3.901 -10.733 1.00 0.00 H ATOM 248 HB3 ALA B 3 -9.618 5.347 -10.010 1.00 0.00 H ATOM 249 N GLU B 4 -8.928 4.724 -6.505 1.00 0.00 N ATOM 250 CA GLU B 4 -9.050 5.377 -5.162 1.00 0.00 C ATOM 251 C GLU B 4 -7.668 5.737 -4.501 1.00 0.00 C ATOM 252 O GLU B 4 -7.507 6.816 -3.917 1.00 0.00 O ATOM 253 CB GLU B 4 -10.027 4.559 -4.282 1.00 0.00 C ATOM 254 CG GLU B 4 -11.535 4.612 -4.684 1.00 0.00 C ATOM 255 CD GLU B 4 -12.203 5.979 -4.742 1.00 0.00 C ATOM 256 OE1 GLU B 4 -12.359 6.644 -3.696 1.00 0.00 O ATOM 257 OE2 GLU B 4 -12.599 6.418 -5.842 1.00 0.00 O ATOM 258 H GLU B 4 -9.316 3.785 -6.652 1.00 0.00 H ATOM 259 HA GLU B 4 -9.504 6.359 -5.321 1.00 0.00 H ATOM 260 HB2 GLU B 4 -9.687 3.505 -4.251 1.00 0.00 H ATOM 261 HB3 GLU B 4 -9.940 4.920 -3.243 1.00 0.00 H ATOM 262 HG2 GLU B 4 -11.682 4.136 -5.668 1.00 0.00 H ATOM 263 HG3 GLU B 4 -12.130 4.010 -3.978 1.00 0.00 H ATOM 264 N ALA B 5 -6.642 4.873 -4.661 1.00 0.00 N ATOM 265 CA ALA B 5 -5.229 5.272 -4.392 1.00 0.00 C ATOM 266 C ALA B 5 -4.789 6.471 -5.276 1.00 0.00 C ATOM 267 O ALA B 5 -4.277 7.426 -4.705 1.00 0.00 O ATOM 268 CB ALA B 5 -4.293 4.126 -4.791 1.00 0.00 C ATOM 269 H ALA B 5 -6.927 4.084 -5.263 1.00 0.00 H ATOM 270 HA ALA B 5 -5.058 5.568 -3.323 1.00 0.00 H ATOM 271 HB1 ALA B 5 -4.406 3.255 -4.143 1.00 0.00 H ATOM 272 HB2 ALA B 5 -3.238 4.450 -4.805 1.00 0.00 H ATOM 273 HB3 ALA B 5 -4.490 3.816 -5.838 1.00 0.00 H ATOM 274 N ALA B 6 -4.964 6.442 -6.616 1.00 0.00 N ATOM 275 CA ALA B 6 -4.497 7.527 -7.493 1.00 0.00 C ATOM 276 C ALA B 6 -5.066 8.963 -7.129 1.00 0.00 C ATOM 277 O ALA B 6 -4.320 9.927 -6.966 1.00 0.00 O ATOM 278 CB ALA B 6 -4.930 7.135 -8.898 1.00 0.00 C ATOM 279 H ALA B 6 -5.458 5.628 -7.020 1.00 0.00 H ATOM 280 HA ALA B 6 -3.390 7.410 -7.437 1.00 0.00 H ATOM 281 HB1 ALA B 6 -6.034 7.114 -8.968 1.00 0.00 H ATOM 282 HB2 ALA B 6 -4.536 6.143 -9.173 1.00 0.00 H ATOM 283 HB3 ALA B 6 -4.562 7.883 -9.616 1.00 0.00 H ATOM 284 N LYS B 7 -6.403 9.031 -6.954 1.00 0.00 N ATOM 285 CA LYS B 7 -7.175 10.170 -6.371 1.00 0.00 C ATOM 286 C LYS B 7 -6.652 10.657 -4.973 1.00 0.00 C ATOM 287 O LYS B 7 -6.381 11.848 -4.815 1.00 0.00 O ATOM 288 CB LYS B 7 -8.619 9.571 -6.351 1.00 0.00 C ATOM 289 CG LYS B 7 -9.799 10.382 -5.761 1.00 0.00 C ATOM 290 CD LYS B 7 -11.014 9.432 -5.621 1.00 0.00 C ATOM 291 CE LYS B 7 -12.292 10.060 -5.042 1.00 0.00 C ATOM 292 NZ LYS B 7 -13.262 8.943 -4.859 1.00 0.00 N ATOM 293 H LYS B 7 -6.863 8.134 -7.169 1.00 0.00 H ATOM 294 HA LYS B 7 -7.107 11.045 -7.058 1.00 0.00 H ATOM 295 HB2 LYS B 7 -8.903 9.268 -7.380 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.573 8.612 -5.788 1.00 0.00 H ATOM 297 HG2 LYS B 7 -9.520 10.795 -4.770 1.00 0.00 H ATOM 298 HG3 LYS B 7 -10.028 11.254 -6.405 1.00 0.00 H ATOM 299 HD2 LYS B 7 -11.236 8.967 -6.606 1.00 0.00 H ATOM 300 HD3 LYS B 7 -10.708 8.573 -4.982 1.00 0.00 H ATOM 301 HE2 LYS B 7 -12.071 10.564 -4.074 1.00 0.00 H ATOM 302 HE3 LYS B 7 -12.685 10.849 -5.721 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -13.330 8.308 -5.676 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -12.891 8.187 -4.229 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -14.208 9.146 -4.527 1.00 0.00 H ATOM 306 N ALA B 8 -6.463 9.768 -3.973 1.00 0.00 N ATOM 307 CA ALA B 8 -5.716 10.112 -2.728 1.00 0.00 C ATOM 308 C ALA B 8 -4.226 10.587 -2.899 1.00 0.00 C ATOM 309 O ALA B 8 -3.703 11.330 -2.071 1.00 0.00 O ATOM 310 CB ALA B 8 -5.616 8.823 -1.932 1.00 0.00 C ATOM 311 H ALA B 8 -6.792 8.809 -4.161 1.00 0.00 H ATOM 312 HA ALA B 8 -6.303 10.819 -2.103 1.00 0.00 H ATOM 313 HB1 ALA B 8 -6.611 8.399 -1.747 1.00 0.00 H ATOM 314 HB2 ALA B 8 -4.993 8.085 -2.468 1.00 0.00 H ATOM 315 HB3 ALA B 8 -5.129 9.052 -0.971 1.00 0.00 H ATOM 316 N HIS B 9 -3.519 10.037 -3.903 1.00 0.00 N ATOM 317 CA HIS B 9 -2.101 10.370 -4.218 1.00 0.00 C ATOM 318 C HIS B 9 -1.984 11.832 -4.798 1.00 0.00 C ATOM 319 O HIS B 9 -1.200 12.624 -4.268 1.00 0.00 O ATOM 320 CB HIS B 9 -1.595 9.132 -5.013 1.00 0.00 C ATOM 321 CG HIS B 9 -1.420 7.797 -4.231 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.145 6.586 -4.874 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.623 7.584 -2.870 1.00 0.00 C ATOM 324 CE1 HIS B 9 -1.087 5.679 -3.791 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.317 6.297 -2.603 1.00 0.00 N ATOM 326 H HIS B 9 -4.107 9.524 -4.598 1.00 0.00 H ATOM 327 HA HIS B 9 -1.489 10.380 -3.295 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.276 8.952 -5.868 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.634 9.397 -5.477 1.00 0.00 H ATOM 330 HD1 HIS B 9 -0.834 6.423 -5.842 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.974 8.333 -2.160 1.00 0.00 H ATOM 332 HE1 HIS B 9 -0.891 4.623 -3.967 1.00 0.00 H ATOM 333 N ALA B 10 -2.815 12.192 -5.796 1.00 0.00 N ATOM 334 CA ALA B 10 -3.063 13.591 -6.227 1.00 0.00 C ATOM 335 C ALA B 10 -3.549 14.574 -5.093 1.00 0.00 C ATOM 336 O ALA B 10 -2.938 15.631 -4.883 1.00 0.00 O ATOM 337 CB ALA B 10 -4.141 13.403 -7.326 1.00 0.00 C ATOM 338 H ALA B 10 -3.149 11.441 -6.407 1.00 0.00 H ATOM 339 HA ALA B 10 -2.148 14.022 -6.664 1.00 0.00 H ATOM 340 HB1 ALA B 10 -5.069 12.940 -6.926 1.00 0.00 H ATOM 341 HB2 ALA B 10 -4.452 14.369 -7.762 1.00 0.00 H ATOM 342 HB3 ALA B 10 -3.806 12.758 -8.160 1.00 0.00 H ATOM 343 N LYS B 11 -4.597 14.191 -4.323 1.00 0.00 N ATOM 344 CA LYS B 11 -5.058 15.001 -3.142 1.00 0.00 C ATOM 345 C LYS B 11 -3.954 15.288 -2.072 1.00 0.00 C ATOM 346 O LYS B 11 -3.901 16.375 -1.501 1.00 0.00 O ATOM 347 CB LYS B 11 -6.312 14.325 -2.524 1.00 0.00 C ATOM 348 CG LYS B 11 -7.146 15.225 -1.563 1.00 0.00 C ATOM 349 CD LYS B 11 -7.194 14.774 -0.083 1.00 0.00 C ATOM 350 CE LYS B 11 -5.878 15.002 0.685 1.00 0.00 C ATOM 351 NZ LYS B 11 -6.008 14.541 2.089 1.00 0.00 N ATOM 352 H LYS B 11 -4.782 13.174 -4.422 1.00 0.00 H ATOM 353 HA LYS B 11 -5.364 15.999 -3.525 1.00 0.00 H ATOM 354 HB2 LYS B 11 -6.976 14.008 -3.351 1.00 0.00 H ATOM 355 HB3 LYS B 11 -6.013 13.376 -2.037 1.00 0.00 H ATOM 356 HG2 LYS B 11 -6.820 16.289 -1.629 1.00 0.00 H ATOM 357 HG3 LYS B 11 -8.185 15.270 -1.946 1.00 0.00 H ATOM 358 HD2 LYS B 11 -8.010 15.335 0.416 1.00 0.00 H ATOM 359 HD3 LYS B 11 -7.500 13.709 -0.029 1.00 0.00 H ATOM 360 HE2 LYS B 11 -5.055 14.435 0.202 1.00 0.00 H ATOM 361 HE3 LYS B 11 -5.560 16.070 0.619 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -5.112 14.510 2.615 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -6.715 14.976 2.683 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -6.140 13.501 2.169 1.00 0.00 H ATOM 365 N ALA B 12 -3.104 14.290 -1.779 1.00 0.00 N ATOM 366 CA ALA B 12 -1.861 14.471 -1.003 1.00 0.00 C ATOM 367 C ALA B 12 -0.890 15.494 -1.678 1.00 0.00 C ATOM 368 O ALA B 12 -0.773 16.605 -1.202 1.00 0.00 O ATOM 369 CB ALA B 12 -1.241 13.082 -0.805 1.00 0.00 C ATOM 370 H ALA B 12 -3.415 13.400 -2.170 1.00 0.00 H ATOM 371 HA ALA B 12 -2.152 14.868 -0.016 1.00 0.00 H ATOM 372 HB1 ALA B 12 -0.372 13.146 -0.129 1.00 0.00 H ATOM 373 HB2 ALA B 12 -0.897 12.637 -1.754 1.00 0.00 H ATOM 374 HB3 ALA B 12 -1.961 12.383 -0.366 1.00 0.00 H ATOM 375 N ALA B 13 -0.270 15.202 -2.816 1.00 0.00 N ATOM 376 CA ALA B 13 0.468 16.199 -3.670 1.00 0.00 C ATOM 377 C ALA B 13 -0.054 17.700 -3.759 1.00 0.00 C ATOM 378 O ALA B 13 0.727 18.639 -3.923 1.00 0.00 O ATOM 379 CB ALA B 13 0.560 15.479 -5.023 1.00 0.00 C ATOM 380 H ALA B 13 -0.426 14.222 -3.023 1.00 0.00 H ATOM 381 HA ALA B 13 1.492 16.292 -3.269 1.00 0.00 H ATOM 382 HB1 ALA B 13 1.162 16.061 -5.739 1.00 0.00 H ATOM 383 HB2 ALA B 13 1.032 14.481 -4.929 1.00 0.00 H ATOM 384 HB3 ALA B 13 -0.442 15.330 -5.465 1.00 0.00 H ATOM 385 N GLU B 14 -1.377 17.861 -3.631 1.00 0.00 N ATOM 386 CA GLU B 14 -2.080 19.146 -3.372 1.00 0.00 C ATOM 387 C GLU B 14 -2.084 19.434 -1.805 1.00 0.00 C ATOM 388 O GLU B 14 -1.136 20.029 -1.290 1.00 0.00 O ATOM 389 CB GLU B 14 -3.462 18.986 -4.094 1.00 0.00 C ATOM 390 CG GLU B 14 -4.577 20.040 -3.801 1.00 0.00 C ATOM 391 CD GLU B 14 -5.892 19.486 -3.253 1.00 0.00 C ATOM 392 OE1 GLU B 14 -5.869 18.709 -2.270 1.00 0.00 O ATOM 393 OE2 GLU B 14 -6.956 19.815 -3.810 1.00 0.00 O ATOM 394 H GLU B 14 -1.796 16.952 -3.398 1.00 0.00 H ATOM 395 HA GLU B 14 -1.539 19.986 -3.850 1.00 0.00 H ATOM 396 HB2 GLU B 14 -3.288 18.951 -5.186 1.00 0.00 H ATOM 397 HB3 GLU B 14 -3.877 17.980 -3.873 1.00 0.00 H ATOM 398 HG2 GLU B 14 -4.243 20.807 -3.083 1.00 0.00 H ATOM 399 HG3 GLU B 14 -4.822 20.601 -4.719 1.00 0.00 H ATOM 400 N ALA B 15 -3.137 19.016 -1.050 1.00 0.00 N ATOM 401 CA ALA B 15 -3.439 19.286 0.414 1.00 0.00 C ATOM 402 C ALA B 15 -2.357 18.696 1.412 1.00 0.00 C ATOM 403 O ALA B 15 -2.035 19.250 2.467 1.00 0.00 O ATOM 404 CB ALA B 15 -3.562 20.801 0.434 1.00 0.00 C ATOM 405 H ALA B 15 -3.863 18.583 -1.635 1.00 0.00 H ATOM 406 HA ALA B 15 -4.411 18.852 0.735 1.00 0.00 H ATOM 407 HB1 ALA B 15 -2.584 21.263 0.210 1.00 0.00 H ATOM 408 HB2 ALA B 15 -3.890 21.110 1.431 1.00 0.00 H ATOM 409 HB3 ALA B 15 -4.301 21.121 -0.325 1.00 0.00 H ATOM 410 N GLY B 16 -1.936 17.480 1.100 1.00 0.00 N ATOM 411 CA GLY B 16 -0.776 16.774 1.723 1.00 0.00 C ATOM 412 C GLY B 16 0.606 17.223 1.193 1.00 0.00 C ATOM 413 O GLY B 16 0.959 18.403 1.236 1.00 0.00 O ATOM 414 H GLY B 16 -2.024 17.566 0.072 1.00 0.00 H ATOM 415 HA2 GLY B 16 -0.797 16.793 2.809 1.00 0.00 H ATOM 416 HA3 GLY B 16 -0.901 15.705 1.442 1.00 0.00 H ATOM 417 N CYS B 17 1.388 16.250 0.692 1.00 0.00 N ATOM 418 CA CYS B 17 2.588 16.527 -0.132 1.00 0.00 C ATOM 419 C CYS B 17 3.078 15.342 -1.041 1.00 0.00 C ATOM 420 O CYS B 17 3.564 15.555 -2.148 1.00 0.00 O ATOM 421 CB CYS B 17 3.734 17.047 0.779 1.00 0.00 C ATOM 422 SG CYS B 17 4.614 15.700 1.616 1.00 0.00 S ATOM 423 H CYS B 17 1.057 15.302 0.851 1.00 0.00 H ATOM 424 HA CYS B 17 2.229 17.289 -0.880 1.00 0.00 H ATOM 425 HB2 CYS B 17 4.457 17.602 0.161 1.00 0.00 H ATOM 426 HB3 CYS B 17 3.363 17.762 1.536 1.00 0.00 H HETATM 427 N NH2 B 18 3.023 14.074 -0.669 1.00 0.00 N HETATM 428 HN1 NH2 B 18 2.844 13.897 0.323 1.00 0.00 H HETATM 429 HN2 NH2 B 18 3.512 13.447 -1.312 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -1.158 5.414 -0.503 1.00 0.00 CO HETATM 432 C PC3 A 20 3.054 6.800 -0.618 1.00 0.00 C HETATM 433 C1 PC3 A 20 3.214 5.426 -1.053 1.00 0.00 C HETATM 434 C2A PC3 A 20 1.890 4.886 -1.063 1.00 0.00 C HETATM 435 N2B PC3 A 20 0.909 5.760 -0.654 1.00 0.00 N HETATM 436 C2C PC3 A 20 1.640 6.905 -0.364 1.00 0.00 C HETATM 437 CA PC3 A 20 1.569 3.540 -1.465 1.00 0.00 C HETATM 438 C4C PC3 A 20 0.281 2.930 -1.711 1.00 0.00 C HETATM 439 C2 PC3 A 20 0.100 1.664 -2.350 1.00 0.00 C HETATM 440 C3 PC3 A 20 -1.333 1.430 -2.259 1.00 0.00 C HETATM 441 C4A PC3 A 20 -1.860 2.625 -1.680 1.00 0.00 C HETATM 442 N4B PC3 A 20 -0.898 3.550 -1.339 1.00 0.00 N HETATM 443 CB PC3 A 20 -3.274 2.891 -1.464 1.00 0.00 C HETATM 444 C6C PC3 A 20 -3.905 4.055 -0.881 1.00 0.00 C HETATM 445 C4 PC3 A 20 -5.300 4.191 -0.689 1.00 0.00 C HETATM 446 C5 PC3 A 20 -5.456 5.487 -0.080 1.00 0.00 C HETATM 447 C6A PC3 A 20 -4.145 5.996 0.026 1.00 0.00 C HETATM 448 N6B PC3 A 20 -3.178 5.141 -0.451 1.00 0.00 N HETATM 449 CC PC3 A 20 -3.824 7.289 0.580 1.00 0.00 C HETATM 450 C8C PC3 A 20 -2.538 7.958 0.657 1.00 0.00 C HETATM 451 C6 PC3 A 20 -2.341 9.287 1.131 1.00 0.00 C HETATM 452 C7 PC3 A 20 -0.913 9.504 1.020 1.00 0.00 C HETATM 453 C8A PC3 A 20 -0.408 8.301 0.463 1.00 0.00 C HETATM 454 N8B PC3 A 20 -1.376 7.330 0.256 1.00 0.00 N HETATM 455 CD PC3 A 20 0.986 8.085 0.138 1.00 0.00 C HETATM 456 C8 PC3 A 20 -2.112 0.307 -2.944 1.00 0.00 C HETATM 457 C9 PC3 A 20 4.499 4.757 -1.546 1.00 0.00 C HETATM 458 C10 PC3 A 20 -0.114 10.728 1.464 1.00 0.00 C HETATM 459 C11 PC3 A 20 -6.720 6.140 0.430 1.00 0.00 C HETATM 460 C12 PC3 A 20 1.107 0.824 -3.187 1.00 0.00 C HETATM 461 CX5 PC3 A 20 2.142 1.531 -4.128 1.00 0.00 C HETATM 462 C14 PC3 A 20 4.111 7.913 -0.753 1.00 0.00 C HETATM 463 C15 PC3 A 20 4.971 8.206 0.503 1.00 0.00 C HETATM 464 C16 PC3 A 20 -3.389 10.369 1.395 1.00 0.00 C HETATM 465 C17 PC3 A 20 -3.804 10.621 2.854 1.00 0.00 C HETATM 466 C18 PC3 A 20 -6.318 3.069 -0.783 1.00 0.00 C HETATM 467 C19 PC3 A 20 -6.501 2.432 0.618 1.00 0.00 C HETATM 468 C21 PC3 A 20 4.741 9.570 1.156 1.00 0.00 C HETATM 469 O1 PC3 A 20 5.703 10.173 1.660 1.00 0.00 O HETATM 470 O2 PC3 A 20 3.566 9.993 1.242 1.00 0.00 O HETATM 471 C22 PC3 A 20 1.687 2.707 -5.006 1.00 0.00 C HETATM 472 O3 PC3 A 20 1.323 3.761 -4.425 1.00 0.00 O HETATM 473 O22 PC3 A 20 1.636 2.582 -6.239 1.00 0.00 O HETATM 474 C23 PC3 A 20 -5.214 2.430 1.433 1.00 0.00 C HETATM 475 O23 PC3 A 20 -4.185 1.946 0.897 1.00 0.00 O HETATM 476 O4 PC3 A 20 -5.112 3.139 2.453 1.00 0.00 O HETATM 477 C24 PC3 A 20 -4.625 11.903 2.921 1.00 0.00 C HETATM 478 O5 PC3 A 20 -5.816 11.870 2.547 1.00 0.00 O HETATM 479 O6 PC3 A 20 -4.063 12.972 3.225 1.00 0.00 O HETATM 480 HA PC3 A 20 2.423 2.938 -1.745 1.00 0.00 H HETATM 481 HB PC3 A 20 -3.954 2.106 -1.776 1.00 0.00 H HETATM 482 HC PC3 A 20 -4.671 7.860 0.947 1.00 0.00 H HETATM 483 HD PC3 A 20 1.646 8.925 0.325 1.00 0.00 H HETATM 484 H81 PC3 A 20 -2.319 0.548 -4.004 1.00 0.00 H HETATM 485 H82 PC3 A 20 -1.546 -0.643 -2.936 1.00 0.00 H HETATM 486 H83 PC3 A 20 -3.080 0.112 -2.453 1.00 0.00 H HETATM 487 H91 PC3 A 20 5.361 5.451 -1.565 1.00 0.00 H HETATM 488 H92 PC3 A 20 4.387 4.370 -2.578 1.00 0.00 H HETATM 489 H93 PC3 A 20 4.797 3.907 -0.905 1.00 0.00 H HETATM 490 H101 PC3 A 20 0.482 11.163 0.640 1.00 0.00 H HETATM 491 H102 PC3 A 20 0.616 10.476 2.257 1.00 0.00 H HETATM 492 H103 PC3 A 20 -0.748 11.535 1.879 1.00 0.00 H HETATM 493 H111 PC3 A 20 -7.492 6.202 -0.361 1.00 0.00 H HETATM 494 H112 PC3 A 20 -6.544 7.164 0.808 1.00 0.00 H HETATM 495 H113 PC3 A 20 -7.154 5.553 1.261 1.00 0.00 H HETATM 496 H121 PC3 A 20 1.647 0.138 -2.507 1.00 0.00 H HETATM 497 H122 PC3 A 20 0.527 0.138 -3.834 1.00 0.00 H HETATM 498 H221 PC3 A 20 2.572 0.773 -4.809 1.00 0.00 H HETATM 499 H222 PC3 A 20 3.016 1.879 -3.556 1.00 0.00 H HETATM 500 H141 PC3 A 20 4.796 7.674 -1.588 1.00 0.00 H HETATM 501 H142 PC3 A 20 3.633 8.849 -1.105 1.00 0.00 H HETATM 502 H151 PC3 A 20 4.845 7.433 1.278 1.00 0.00 H HETATM 503 H152 PC3 A 20 6.043 8.161 0.237 1.00 0.00 H HETATM 504 H161 PC3 A 20 -4.297 10.206 0.785 1.00 0.00 H HETATM 505 H162 PC3 A 20 -2.998 11.322 1.008 1.00 0.00 H HETATM 506 H171 PC3 A 20 -2.927 10.738 3.517 1.00 0.00 H HETATM 507 H172 PC3 A 20 -4.407 9.791 3.263 1.00 0.00 H HETATM 508 H181 PC3 A 20 -7.283 3.434 -1.183 1.00 0.00 H HETATM 509 H182 PC3 A 20 -5.955 2.304 -1.495 1.00 0.00 H HETATM 510 H192 PC3 A 20 -7.264 2.986 1.193 1.00 0.00 H HETATM 511 H191 PC3 A 20 -6.875 1.396 0.542 1.00 0.00 H