HETATM 1 C ACE A 0 -0.513 -3.290 -0.470 1.00 0.00 C HETATM 2 O ACE A 0 -0.180 -2.111 -0.405 1.00 0.00 O HETATM 3 CH3 ACE A 0 0.520 -4.375 -0.681 1.00 0.00 C HETATM 4 H1 ACE A 0 0.364 -4.906 -1.635 1.00 0.00 H HETATM 5 H2 ACE A 0 0.528 -5.114 0.141 1.00 0.00 H HETATM 6 H3 ACE A 0 1.534 -3.937 -0.716 1.00 0.00 H ATOM 7 N CYS A 1 -1.771 -3.712 -0.358 1.00 0.00 N ATOM 8 CA CYS A 1 -2.915 -2.752 -0.159 1.00 0.00 C ATOM 9 C CYS A 1 -3.339 -2.446 1.328 1.00 0.00 C ATOM 10 O CYS A 1 -4.041 -1.448 1.512 1.00 0.00 O ATOM 11 CB CYS A 1 -4.072 -3.315 -1.023 1.00 0.00 C ATOM 12 SG CYS A 1 -3.643 -3.331 -2.784 1.00 0.00 S ATOM 13 H CYS A 1 -1.853 -4.745 -0.429 1.00 0.00 H ATOM 14 HA CYS A 1 -2.697 -1.719 -0.560 1.00 0.00 H ATOM 15 HB2 CYS A 1 -4.358 -4.339 -0.719 1.00 0.00 H ATOM 16 HB3 CYS A 1 -4.984 -2.699 -0.913 1.00 0.00 H ATOM 17 N GLY A 2 -2.928 -3.200 2.379 1.00 0.00 N ATOM 18 CA GLY A 2 -3.372 -2.942 3.780 1.00 0.00 C ATOM 19 C GLY A 2 -2.230 -2.647 4.778 1.00 0.00 C ATOM 20 O GLY A 2 -2.019 -1.486 5.119 1.00 0.00 O ATOM 21 H GLY A 2 -2.176 -3.869 2.180 1.00 0.00 H ATOM 22 HA2 GLY A 2 -4.084 -2.092 3.830 1.00 0.00 H ATOM 23 HA3 GLY A 2 -3.969 -3.801 4.134 1.00 0.00 H ATOM 24 N ALA A 3 -1.495 -3.659 5.278 1.00 0.00 N ATOM 25 CA ALA A 3 -0.382 -3.435 6.248 1.00 0.00 C ATOM 26 C ALA A 3 0.992 -2.974 5.661 1.00 0.00 C ATOM 27 O ALA A 3 1.696 -2.185 6.296 1.00 0.00 O ATOM 28 CB ALA A 3 -0.275 -4.725 7.046 1.00 0.00 C ATOM 29 H ALA A 3 -1.682 -4.604 4.931 1.00 0.00 H ATOM 30 HA ALA A 3 -0.685 -2.640 6.962 1.00 0.00 H ATOM 31 HB1 ALA A 3 -1.240 -4.966 7.529 1.00 0.00 H ATOM 32 HB2 ALA A 3 0.480 -4.608 7.842 1.00 0.00 H ATOM 33 HB3 ALA A 3 0.025 -5.568 6.397 1.00 0.00 H ATOM 34 N GLU A 4 1.412 -3.470 4.489 1.00 0.00 N ATOM 35 CA GLU A 4 2.545 -2.875 3.721 1.00 0.00 C ATOM 36 C GLU A 4 2.264 -1.400 3.253 1.00 0.00 C ATOM 37 O GLU A 4 3.107 -0.512 3.412 1.00 0.00 O ATOM 38 CB GLU A 4 2.838 -3.796 2.547 1.00 0.00 C ATOM 39 CG GLU A 4 3.452 -5.174 2.905 1.00 0.00 C ATOM 40 CD GLU A 4 3.688 -6.054 1.708 1.00 0.00 C ATOM 41 OE1 GLU A 4 2.701 -6.585 1.159 1.00 0.00 O ATOM 42 OE2 GLU A 4 4.863 -6.251 1.343 1.00 0.00 O ATOM 43 H GLU A 4 0.942 -4.310 4.136 1.00 0.00 H ATOM 44 HA GLU A 4 3.458 -2.874 4.323 1.00 0.00 H ATOM 45 HB2 GLU A 4 1.896 -3.907 1.980 1.00 0.00 H ATOM 46 HB3 GLU A 4 3.539 -3.244 1.900 1.00 0.00 H ATOM 47 HG2 GLU A 4 4.420 -5.064 3.418 1.00 0.00 H ATOM 48 HG3 GLU A 4 2.799 -5.753 3.578 1.00 0.00 H ATOM 49 N ALA A 5 1.047 -1.143 2.732 1.00 0.00 N ATOM 50 CA ALA A 5 0.525 0.235 2.521 1.00 0.00 C ATOM 51 C ALA A 5 0.548 1.080 3.828 1.00 0.00 C ATOM 52 O ALA A 5 1.112 2.162 3.765 1.00 0.00 O ATOM 53 CB ALA A 5 -0.928 0.084 2.050 1.00 0.00 C ATOM 54 H ALA A 5 0.475 -2.003 2.721 1.00 0.00 H ATOM 55 HA ALA A 5 1.121 0.811 1.755 1.00 0.00 H ATOM 56 HB1 ALA A 5 -1.430 1.053 1.940 1.00 0.00 H ATOM 57 HB2 ALA A 5 -1.531 -0.488 2.785 1.00 0.00 H ATOM 58 HB3 ALA A 5 -1.000 -0.446 1.092 1.00 0.00 H ATOM 59 N ALA A 6 0.011 0.623 4.977 1.00 0.00 N ATOM 60 CA ALA A 6 0.213 1.296 6.290 1.00 0.00 C ATOM 61 C ALA A 6 1.699 1.555 6.743 1.00 0.00 C ATOM 62 O ALA A 6 1.977 2.647 7.240 1.00 0.00 O ATOM 63 CB ALA A 6 -0.404 0.343 7.297 1.00 0.00 C ATOM 64 H ALA A 6 -0.403 -0.331 4.925 1.00 0.00 H ATOM 65 HA ALA A 6 -0.393 2.246 6.326 1.00 0.00 H ATOM 66 HB1 ALA A 6 -1.451 0.114 7.047 1.00 0.00 H ATOM 67 HB2 ALA A 6 0.172 -0.598 7.330 1.00 0.00 H ATOM 68 HB3 ALA A 6 -0.352 0.788 8.303 1.00 0.00 H ATOM 69 N LYS A 7 2.636 0.585 6.572 1.00 0.00 N ATOM 70 CA LYS A 7 4.104 0.827 6.764 1.00 0.00 C ATOM 71 C LYS A 7 4.689 1.981 5.869 1.00 0.00 C ATOM 72 O LYS A 7 5.390 2.864 6.371 1.00 0.00 O ATOM 73 CB LYS A 7 4.764 -0.561 6.512 1.00 0.00 C ATOM 74 CG LYS A 7 6.282 -0.684 6.794 1.00 0.00 C ATOM 75 CD LYS A 7 6.960 -1.860 6.042 1.00 0.00 C ATOM 76 CE LYS A 7 6.396 -3.284 6.251 1.00 0.00 C ATOM 77 NZ LYS A 7 6.654 -3.751 7.644 1.00 0.00 N ATOM 78 H LYS A 7 2.279 -0.316 6.182 1.00 0.00 H ATOM 79 HA LYS A 7 4.268 1.158 7.816 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.231 -1.337 7.096 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.573 -0.831 5.453 1.00 0.00 H ATOM 82 HG2 LYS A 7 6.790 0.251 6.477 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.467 -0.728 7.885 1.00 0.00 H ATOM 84 HD2 LYS A 7 6.902 -1.632 4.956 1.00 0.00 H ATOM 85 HD3 LYS A 7 8.051 -1.840 6.243 1.00 0.00 H ATOM 86 HE2 LYS A 7 5.309 -3.309 5.998 1.00 0.00 H ATOM 87 HE3 LYS A 7 6.852 -3.975 5.501 1.00 0.00 H ATOM 88 HZ1 LYS A 7 6.297 -4.698 7.838 1.00 0.00 H ATOM 89 HZ2 LYS A 7 7.656 -3.768 7.875 1.00 0.00 H ATOM 90 HZ3 LYS A 7 6.223 -3.132 8.343 1.00 0.00 H ATOM 91 N ALA A 8 4.386 1.973 4.562 1.00 0.00 N ATOM 92 CA ALA A 8 4.626 3.125 3.660 1.00 0.00 C ATOM 93 C ALA A 8 3.878 4.457 4.038 1.00 0.00 C ATOM 94 O ALA A 8 4.437 5.533 3.873 1.00 0.00 O ATOM 95 CB ALA A 8 4.151 2.654 2.301 1.00 0.00 C ATOM 96 H ALA A 8 3.861 1.143 4.254 1.00 0.00 H ATOM 97 HA ALA A 8 5.711 3.299 3.526 1.00 0.00 H ATOM 98 HB1 ALA A 8 4.368 3.445 1.568 1.00 0.00 H ATOM 99 HB2 ALA A 8 4.686 1.739 2.001 1.00 0.00 H ATOM 100 HB3 ALA A 8 3.066 2.464 2.309 1.00 0.00 H ATOM 101 N HIS A 9 2.619 4.385 4.517 1.00 0.00 N ATOM 102 CA HIS A 9 1.872 5.535 5.117 1.00 0.00 C ATOM 103 C HIS A 9 2.568 6.154 6.385 1.00 0.00 C ATOM 104 O HIS A 9 2.842 7.356 6.344 1.00 0.00 O ATOM 105 CB HIS A 9 0.397 5.038 5.191 1.00 0.00 C ATOM 106 CG HIS A 9 -0.378 4.659 3.893 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.446 3.742 3.876 1.00 0.00 N ATOM 108 CD2 HIS A 9 -0.102 5.070 2.603 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.829 3.740 2.512 1.00 0.00 C ATOM 110 NE2 HIS A 9 -1.051 4.584 1.790 1.00 0.00 N ATOM 111 H HIS A 9 2.218 3.424 4.529 1.00 0.00 H ATOM 112 HA HIS A 9 1.900 6.415 4.456 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.399 4.166 5.866 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.184 5.805 5.720 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.902 3.291 4.679 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.711 5.673 2.242 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.644 3.115 2.151 1.00 0.00 H ATOM 118 N ALA A 10 2.925 5.394 7.445 1.00 0.00 N ATOM 119 CA ALA A 10 3.863 5.862 8.499 1.00 0.00 C ATOM 120 C ALA A 10 5.233 6.460 7.997 1.00 0.00 C ATOM 121 O ALA A 10 5.599 7.579 8.383 1.00 0.00 O ATOM 122 CB ALA A 10 4.062 4.584 9.350 1.00 0.00 C ATOM 123 H ALA A 10 2.239 4.705 7.780 1.00 0.00 H ATOM 124 HA ALA A 10 3.375 6.645 9.104 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.516 3.762 8.758 1.00 0.00 H ATOM 126 HB2 ALA A 10 4.745 4.764 10.199 1.00 0.00 H ATOM 127 HB3 ALA A 10 3.116 4.188 9.765 1.00 0.00 H ATOM 128 N LYS A 11 5.944 5.737 7.099 1.00 0.00 N ATOM 129 CA LYS A 11 7.197 6.259 6.458 1.00 0.00 C ATOM 130 C LYS A 11 7.039 7.622 5.695 1.00 0.00 C ATOM 131 O LYS A 11 7.817 8.555 5.918 1.00 0.00 O ATOM 132 CB LYS A 11 7.790 5.093 5.611 1.00 0.00 C ATOM 133 CG LYS A 11 9.111 5.352 4.838 1.00 0.00 C ATOM 134 CD LYS A 11 10.308 5.809 5.712 1.00 0.00 C ATOM 135 CE LYS A 11 10.817 7.215 5.332 1.00 0.00 C ATOM 136 NZ LYS A 11 11.694 7.727 6.416 1.00 0.00 N ATOM 137 H LYS A 11 5.363 4.982 6.680 1.00 0.00 H ATOM 138 HA LYS A 11 7.909 6.478 7.279 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.930 4.211 6.267 1.00 0.00 H ATOM 140 HB3 LYS A 11 7.027 4.772 4.876 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.387 4.423 4.300 1.00 0.00 H ATOM 142 HG3 LYS A 11 8.903 6.069 4.015 1.00 0.00 H ATOM 143 HD2 LYS A 11 10.026 5.773 6.786 1.00 0.00 H ATOM 144 HD3 LYS A 11 11.132 5.074 5.630 1.00 0.00 H ATOM 145 HE2 LYS A 11 11.329 7.205 4.345 1.00 0.00 H ATOM 146 HE3 LYS A 11 9.964 7.914 5.190 1.00 0.00 H ATOM 147 HZ1 LYS A 11 11.191 7.726 7.344 1.00 0.00 H ATOM 148 HZ2 LYS A 11 12.566 7.231 6.612 1.00 0.00 H ATOM 149 HZ3 LYS A 11 11.877 8.744 6.424 1.00 0.00 H ATOM 150 N ALA A 12 6.022 7.734 4.830 1.00 0.00 N ATOM 151 CA ALA A 12 5.582 9.012 4.233 1.00 0.00 C ATOM 152 C ALA A 12 5.205 10.069 5.327 1.00 0.00 C ATOM 153 O ALA A 12 6.037 10.917 5.586 1.00 0.00 O ATOM 154 CB ALA A 12 4.483 8.685 3.211 1.00 0.00 C ATOM 155 H ALA A 12 5.561 6.846 4.610 1.00 0.00 H ATOM 156 HA ALA A 12 6.431 9.428 3.658 1.00 0.00 H ATOM 157 HB1 ALA A 12 3.603 8.205 3.673 1.00 0.00 H ATOM 158 HB2 ALA A 12 4.858 8.026 2.403 1.00 0.00 H ATOM 159 HB3 ALA A 12 4.144 9.614 2.722 1.00 0.00 H ATOM 160 N ALA A 13 4.076 10.022 6.038 1.00 0.00 N ATOM 161 CA ALA A 13 3.777 10.868 7.249 1.00 0.00 C ATOM 162 C ALA A 13 4.960 11.460 8.131 1.00 0.00 C ATOM 163 O ALA A 13 4.916 12.618 8.552 1.00 0.00 O ATOM 164 CB ALA A 13 2.795 9.997 8.045 1.00 0.00 C ATOM 165 H ALA A 13 3.439 9.332 5.649 1.00 0.00 H ATOM 166 HA ALA A 13 3.211 11.749 6.894 1.00 0.00 H ATOM 167 HB1 ALA A 13 3.278 9.061 8.385 1.00 0.00 H ATOM 168 HB2 ALA A 13 1.916 9.707 7.434 1.00 0.00 H ATOM 169 HB3 ALA A 13 2.416 10.528 8.931 1.00 0.00 H ATOM 170 N GLU A 14 6.001 10.646 8.370 1.00 0.00 N ATOM 171 CA GLU A 14 7.329 11.080 8.909 1.00 0.00 C ATOM 172 C GLU A 14 8.161 11.986 7.900 1.00 0.00 C ATOM 173 O GLU A 14 8.353 13.174 8.174 1.00 0.00 O ATOM 174 CB GLU A 14 8.025 9.757 9.369 1.00 0.00 C ATOM 175 CG GLU A 14 9.514 9.822 9.833 1.00 0.00 C ATOM 176 CD GLU A 14 10.506 9.118 8.921 1.00 0.00 C ATOM 177 OE1 GLU A 14 10.466 7.872 8.816 1.00 0.00 O ATOM 178 OE2 GLU A 14 11.325 9.784 8.257 1.00 0.00 O ATOM 179 H GLU A 14 5.853 9.754 7.882 1.00 0.00 H ATOM 180 HA GLU A 14 7.163 11.696 9.814 1.00 0.00 H ATOM 181 HB2 GLU A 14 7.428 9.330 10.199 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.933 8.988 8.574 1.00 0.00 H ATOM 183 HG2 GLU A 14 9.855 10.863 9.969 1.00 0.00 H ATOM 184 HG3 GLU A 14 9.626 9.350 10.823 1.00 0.00 H ATOM 185 N ALA A 15 8.641 11.462 6.749 1.00 0.00 N ATOM 186 CA ALA A 15 9.303 12.276 5.675 1.00 0.00 C ATOM 187 C ALA A 15 8.337 12.854 4.565 1.00 0.00 C ATOM 188 O ALA A 15 8.226 14.073 4.408 1.00 0.00 O ATOM 189 CB ALA A 15 10.456 11.405 5.134 1.00 0.00 C ATOM 190 H ALA A 15 8.406 10.464 6.659 1.00 0.00 H ATOM 191 HA ALA A 15 9.775 13.164 6.138 1.00 0.00 H ATOM 192 HB1 ALA A 15 11.156 11.121 5.944 1.00 0.00 H ATOM 193 HB2 ALA A 15 11.044 11.951 4.374 1.00 0.00 H ATOM 194 HB3 ALA A 15 10.085 10.477 4.664 1.00 0.00 H ATOM 195 N GLY A 16 7.676 11.988 3.773 1.00 0.00 N ATOM 196 CA GLY A 16 6.526 12.358 2.879 1.00 0.00 C ATOM 197 C GLY A 16 5.201 12.824 3.532 1.00 0.00 C ATOM 198 O GLY A 16 4.153 12.226 3.279 1.00 0.00 O ATOM 199 H GLY A 16 7.656 11.077 4.244 1.00 0.00 H ATOM 200 HA2 GLY A 16 6.802 13.073 2.103 1.00 0.00 H ATOM 201 HA3 GLY A 16 6.228 11.420 2.362 1.00 0.00 H ATOM 202 N CYS A 17 5.250 13.882 4.346 1.00 0.00 N ATOM 203 CA CYS A 17 4.147 14.301 5.246 1.00 0.00 C ATOM 204 C CYS A 17 2.695 14.325 4.705 1.00 0.00 C ATOM 205 O CYS A 17 1.709 14.491 5.430 1.00 0.00 O ATOM 206 CB CYS A 17 4.541 15.722 5.702 1.00 0.00 C ATOM 207 SG CYS A 17 4.832 16.903 4.337 1.00 0.00 S ATOM 208 H CYS A 17 6.215 14.225 4.456 1.00 0.00 H ATOM 209 HA CYS A 17 4.172 13.592 6.122 1.00 0.00 H ATOM 210 HB2 CYS A 17 3.782 16.142 6.389 1.00 0.00 H ATOM 211 HB3 CYS A 17 5.466 15.673 6.310 1.00 0.00 H HETATM 212 N NH2 A 18 2.608 14.153 3.403 1.00 0.00 N HETATM 213 HN1 NH2 A 18 3.459 14.020 2.845 1.00 0.00 H HETATM 214 HN2 NH2 A 18 1.690 14.152 2.946 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -9.076 -0.122 -4.990 1.00 0.00 C HETATM 217 O ACE B 0 -10.095 -0.483 -5.567 1.00 0.00 O HETATM 218 CH3 ACE B 0 -9.106 1.093 -4.073 1.00 0.00 C HETATM 219 H1 ACE B 0 -8.382 1.864 -4.392 1.00 0.00 H HETATM 220 H2 ACE B 0 -10.107 1.559 -4.068 1.00 0.00 H HETATM 221 H3 ACE B 0 -8.873 0.814 -3.030 1.00 0.00 H ATOM 222 N CYS B 1 -7.986 -0.844 -5.230 1.00 0.00 N ATOM 223 CA CYS B 1 -6.620 -0.523 -4.679 1.00 0.00 C ATOM 224 C CYS B 1 -5.723 0.459 -5.535 1.00 0.00 C ATOM 225 O CYS B 1 -4.809 1.045 -4.955 1.00 0.00 O ATOM 226 CB CYS B 1 -5.946 -1.894 -4.392 1.00 0.00 C ATOM 227 SG CYS B 1 -4.291 -1.664 -3.699 1.00 0.00 S ATOM 228 H CYS B 1 -8.226 -1.603 -5.888 1.00 0.00 H ATOM 229 HA CYS B 1 -6.691 -0.018 -3.679 1.00 0.00 H ATOM 230 HB2 CYS B 1 -6.526 -2.480 -3.652 1.00 0.00 H ATOM 231 HB3 CYS B 1 -5.851 -2.527 -5.293 1.00 0.00 H ATOM 232 N GLY B 2 -5.938 0.673 -6.855 1.00 0.00 N ATOM 233 CA GLY B 2 -5.027 1.511 -7.701 1.00 0.00 C ATOM 234 C GLY B 2 -5.506 2.929 -8.100 1.00 0.00 C ATOM 235 O GLY B 2 -4.764 3.888 -7.914 1.00 0.00 O ATOM 236 H GLY B 2 -6.805 0.270 -7.222 1.00 0.00 H ATOM 237 HA2 GLY B 2 -4.030 1.623 -7.223 1.00 0.00 H ATOM 238 HA3 GLY B 2 -4.797 0.964 -8.633 1.00 0.00 H ATOM 239 N ALA B 3 -6.698 3.090 -8.703 1.00 0.00 N ATOM 240 CA ALA B 3 -7.216 4.426 -9.124 1.00 0.00 C ATOM 241 C ALA B 3 -7.816 5.338 -8.002 1.00 0.00 C ATOM 242 O ALA B 3 -7.511 6.534 -7.990 1.00 0.00 O ATOM 243 CB ALA B 3 -8.201 4.142 -10.256 1.00 0.00 C ATOM 244 H ALA B 3 -7.240 2.238 -8.857 1.00 0.00 H ATOM 245 HA ALA B 3 -6.374 5.016 -9.556 1.00 0.00 H ATOM 246 HB1 ALA B 3 -7.716 3.588 -11.081 1.00 0.00 H ATOM 247 HB2 ALA B 3 -9.067 3.556 -9.898 1.00 0.00 H ATOM 248 HB3 ALA B 3 -8.582 5.091 -10.672 1.00 0.00 H ATOM 249 N GLU B 4 -8.650 4.827 -7.069 1.00 0.00 N ATOM 250 CA GLU B 4 -9.008 5.589 -5.828 1.00 0.00 C ATOM 251 C GLU B 4 -7.768 5.936 -4.919 1.00 0.00 C ATOM 252 O GLU B 4 -7.678 7.043 -4.374 1.00 0.00 O ATOM 253 CB GLU B 4 -10.195 4.890 -5.123 1.00 0.00 C ATOM 254 CG GLU B 4 -11.599 5.172 -5.741 1.00 0.00 C ATOM 255 CD GLU B 4 -12.091 6.610 -5.680 1.00 0.00 C ATOM 256 OE1 GLU B 4 -12.366 7.116 -4.576 1.00 0.00 O ATOM 257 OE2 GLU B 4 -12.188 7.274 -6.728 1.00 0.00 O ATOM 258 H GLU B 4 -9.047 3.903 -7.259 1.00 0.00 H ATOM 259 HA GLU B 4 -9.352 6.581 -6.144 1.00 0.00 H ATOM 260 HB2 GLU B 4 -10.015 3.798 -5.083 1.00 0.00 H ATOM 261 HB3 GLU B 4 -10.217 5.210 -4.065 1.00 0.00 H ATOM 262 HG2 GLU B 4 -11.637 4.852 -6.797 1.00 0.00 H ATOM 263 HG3 GLU B 4 -12.366 4.573 -5.225 1.00 0.00 H ATOM 264 N ALA B 5 -6.770 5.028 -4.822 1.00 0.00 N ATOM 265 CA ALA B 5 -5.421 5.389 -4.291 1.00 0.00 C ATOM 266 C ALA B 5 -4.759 6.528 -5.119 1.00 0.00 C ATOM 267 O ALA B 5 -4.294 7.480 -4.505 1.00 0.00 O ATOM 268 CB ALA B 5 -4.472 4.194 -4.449 1.00 0.00 C ATOM 269 H ALA B 5 -6.965 4.219 -5.432 1.00 0.00 H ATOM 270 HA ALA B 5 -5.449 5.723 -3.219 1.00 0.00 H ATOM 271 HB1 ALA B 5 -4.409 3.879 -5.510 1.00 0.00 H ATOM 272 HB2 ALA B 5 -3.433 4.462 -4.202 1.00 0.00 H ATOM 273 HB3 ALA B 5 -4.779 3.328 -3.859 1.00 0.00 H ATOM 274 N ALA B 6 -4.695 6.450 -6.466 1.00 0.00 N ATOM 275 CA ALA B 6 -4.032 7.473 -7.288 1.00 0.00 C ATOM 276 C ALA B 6 -4.593 8.948 -7.099 1.00 0.00 C ATOM 277 O ALA B 6 -3.849 9.906 -6.887 1.00 0.00 O ATOM 278 CB ALA B 6 -4.223 7.028 -8.730 1.00 0.00 C ATOM 279 H ALA B 6 -5.111 5.618 -6.919 1.00 0.00 H ATOM 280 HA ALA B 6 -2.960 7.314 -7.033 1.00 0.00 H ATOM 281 HB1 ALA B 6 -3.825 6.013 -8.888 1.00 0.00 H ATOM 282 HB2 ALA B 6 -5.295 7.036 -9.001 1.00 0.00 H ATOM 283 HB3 ALA B 6 -3.704 7.728 -9.403 1.00 0.00 H ATOM 284 N LYS B 7 -5.937 9.071 -7.141 1.00 0.00 N ATOM 285 CA LYS B 7 -6.728 10.278 -6.749 1.00 0.00 C ATOM 286 C LYS B 7 -6.441 10.785 -5.288 1.00 0.00 C ATOM 287 O LYS B 7 -6.159 11.972 -5.101 1.00 0.00 O ATOM 288 CB LYS B 7 -8.187 9.810 -7.030 1.00 0.00 C ATOM 289 CG LYS B 7 -9.351 10.770 -6.704 1.00 0.00 C ATOM 290 CD LYS B 7 -10.675 10.233 -7.313 1.00 0.00 C ATOM 291 CE LYS B 7 -11.968 10.638 -6.583 1.00 0.00 C ATOM 292 NZ LYS B 7 -12.155 9.757 -5.394 1.00 0.00 N ATOM 293 H LYS B 7 -6.393 8.184 -7.401 1.00 0.00 H ATOM 294 HA LYS B 7 -6.467 11.122 -7.430 1.00 0.00 H ATOM 295 HB2 LYS B 7 -8.258 9.524 -8.100 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.381 8.866 -6.476 1.00 0.00 H ATOM 297 HG2 LYS B 7 -9.416 10.881 -5.602 1.00 0.00 H ATOM 298 HG3 LYS B 7 -9.135 11.788 -7.085 1.00 0.00 H ATOM 299 HD2 LYS B 7 -10.728 10.568 -8.369 1.00 0.00 H ATOM 300 HD3 LYS B 7 -10.655 9.125 -7.417 1.00 0.00 H ATOM 301 HE2 LYS B 7 -11.960 11.719 -6.317 1.00 0.00 H ATOM 302 HE3 LYS B 7 -12.824 10.510 -7.284 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -11.366 9.708 -4.741 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -13.012 9.867 -4.842 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -12.214 8.741 -5.669 1.00 0.00 H ATOM 306 N ALA B 8 -6.466 9.914 -4.251 1.00 0.00 N ATOM 307 CA ALA B 8 -5.922 10.260 -2.906 1.00 0.00 C ATOM 308 C ALA B 8 -4.427 10.734 -2.872 1.00 0.00 C ATOM 309 O ALA B 8 -4.056 11.566 -2.048 1.00 0.00 O ATOM 310 CB ALA B 8 -5.923 8.988 -2.068 1.00 0.00 C ATOM 311 H ALA B 8 -6.786 8.962 -4.482 1.00 0.00 H ATOM 312 HA ALA B 8 -6.591 10.980 -2.393 1.00 0.00 H ATOM 313 HB1 ALA B 8 -5.571 9.232 -1.049 1.00 0.00 H ATOM 314 HB2 ALA B 8 -6.921 8.539 -2.030 1.00 0.00 H ATOM 315 HB3 ALA B 8 -5.212 8.252 -2.482 1.00 0.00 H ATOM 316 N HIS B 9 -3.568 10.115 -3.705 1.00 0.00 N ATOM 317 CA HIS B 9 -2.117 10.421 -3.795 1.00 0.00 C ATOM 318 C HIS B 9 -1.874 11.878 -4.322 1.00 0.00 C ATOM 319 O HIS B 9 -1.195 12.643 -3.638 1.00 0.00 O ATOM 320 CB HIS B 9 -1.510 9.221 -4.572 1.00 0.00 C ATOM 321 CG HIS B 9 -1.492 7.835 -3.892 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.188 6.678 -4.609 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.790 7.529 -2.573 1.00 0.00 C ATOM 324 CE1 HIS B 9 -1.162 5.704 -3.593 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.437 6.239 -2.381 1.00 0.00 N ATOM 326 H HIS B 9 -4.039 9.585 -4.469 1.00 0.00 H ATOM 327 HA HIS B 9 -1.672 10.405 -2.781 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.030 9.116 -5.539 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.475 9.479 -4.838 1.00 0.00 H ATOM 330 HD1 HIS B 9 -0.945 6.573 -5.604 1.00 0.00 H ATOM 331 HD2 HIS B 9 -2.235 8.218 -1.847 1.00 0.00 H ATOM 332 HE1 HIS B 9 -0.955 4.679 -3.840 1.00 0.00 H ATOM 333 N ALA B 10 -2.493 12.257 -5.455 1.00 0.00 N ATOM 334 CA ALA B 10 -2.627 13.661 -5.915 1.00 0.00 C ATOM 335 C ALA B 10 -3.244 14.667 -4.872 1.00 0.00 C ATOM 336 O ALA B 10 -2.624 15.691 -4.554 1.00 0.00 O ATOM 337 CB ALA B 10 -3.519 13.499 -7.174 1.00 0.00 C ATOM 338 H ALA B 10 -2.731 11.511 -6.113 1.00 0.00 H ATOM 339 HA ALA B 10 -1.640 14.058 -6.203 1.00 0.00 H ATOM 340 HB1 ALA B 10 -3.074 12.840 -7.944 1.00 0.00 H ATOM 341 HB2 ALA B 10 -4.512 13.066 -6.929 1.00 0.00 H ATOM 342 HB3 ALA B 10 -3.725 14.471 -7.655 1.00 0.00 H ATOM 343 N LYS B 11 -4.429 14.340 -4.298 1.00 0.00 N ATOM 344 CA LYS B 11 -5.081 15.224 -3.267 1.00 0.00 C ATOM 345 C LYS B 11 -4.201 15.483 -1.994 1.00 0.00 C ATOM 346 O LYS B 11 -4.117 16.596 -1.472 1.00 0.00 O ATOM 347 CB LYS B 11 -6.480 14.629 -2.908 1.00 0.00 C ATOM 348 CG LYS B 11 -7.593 15.625 -2.477 1.00 0.00 C ATOM 349 CD LYS B 11 -7.319 16.613 -1.316 1.00 0.00 C ATOM 350 CE LYS B 11 -6.873 16.081 0.059 1.00 0.00 C ATOM 351 NZ LYS B 11 -7.972 15.353 0.744 1.00 0.00 N ATOM 352 H LYS B 11 -4.642 13.327 -4.414 1.00 0.00 H ATOM 353 HA LYS B 11 -5.236 16.221 -3.734 1.00 0.00 H ATOM 354 HB2 LYS B 11 -6.881 14.096 -3.792 1.00 0.00 H ATOM 355 HB3 LYS B 11 -6.354 13.828 -2.154 1.00 0.00 H ATOM 356 HG2 LYS B 11 -7.831 16.249 -3.365 1.00 0.00 H ATOM 357 HG3 LYS B 11 -8.530 15.069 -2.286 1.00 0.00 H ATOM 358 HD2 LYS B 11 -6.523 17.300 -1.666 1.00 0.00 H ATOM 359 HD3 LYS B 11 -8.176 17.308 -1.209 1.00 0.00 H ATOM 360 HE2 LYS B 11 -5.969 15.443 -0.042 1.00 0.00 H ATOM 361 HE3 LYS B 11 -6.508 16.947 0.660 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -7.687 14.945 1.645 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -8.317 14.575 0.169 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -8.781 15.959 0.925 1.00 0.00 H ATOM 365 N ALA B 12 -3.575 14.428 -1.459 1.00 0.00 N ATOM 366 CA ALA B 12 -2.534 14.553 -0.426 1.00 0.00 C ATOM 367 C ALA B 12 -1.278 15.360 -0.889 1.00 0.00 C ATOM 368 O ALA B 12 -1.056 16.433 -0.361 1.00 0.00 O ATOM 369 CB ALA B 12 -2.263 13.140 0.053 1.00 0.00 C ATOM 370 H ALA B 12 -3.726 13.553 -1.973 1.00 0.00 H ATOM 371 HA ALA B 12 -2.976 15.097 0.426 1.00 0.00 H ATOM 372 HB1 ALA B 12 -1.828 12.497 -0.734 1.00 0.00 H ATOM 373 HB2 ALA B 12 -3.179 12.650 0.438 1.00 0.00 H ATOM 374 HB3 ALA B 12 -1.553 13.182 0.894 1.00 0.00 H ATOM 375 N ALA B 13 -0.478 14.949 -1.872 1.00 0.00 N ATOM 376 CA ALA B 13 0.567 15.817 -2.527 1.00 0.00 C ATOM 377 C ALA B 13 0.284 17.380 -2.657 1.00 0.00 C ATOM 378 O ALA B 13 1.192 18.201 -2.520 1.00 0.00 O ATOM 379 CB ALA B 13 0.829 15.099 -3.856 1.00 0.00 C ATOM 380 H ALA B 13 -0.614 13.957 -2.045 1.00 0.00 H ATOM 381 HA ALA B 13 1.488 15.747 -1.921 1.00 0.00 H ATOM 382 HB1 ALA B 13 1.129 14.044 -3.701 1.00 0.00 H ATOM 383 HB2 ALA B 13 -0.079 15.088 -4.489 1.00 0.00 H ATOM 384 HB3 ALA B 13 1.632 15.593 -4.424 1.00 0.00 H ATOM 385 N GLU B 14 -0.996 17.728 -2.876 1.00 0.00 N ATOM 386 CA GLU B 14 -1.570 19.098 -2.710 1.00 0.00 C ATOM 387 C GLU B 14 -1.628 19.526 -1.175 1.00 0.00 C ATOM 388 O GLU B 14 -0.808 20.343 -0.749 1.00 0.00 O ATOM 389 CB GLU B 14 -2.928 19.061 -3.498 1.00 0.00 C ATOM 390 CG GLU B 14 -4.031 20.126 -3.199 1.00 0.00 C ATOM 391 CD GLU B 14 -5.354 19.565 -2.675 1.00 0.00 C ATOM 392 OE1 GLU B 14 -6.124 18.992 -3.476 1.00 0.00 O ATOM 393 OE2 GLU B 14 -5.623 19.654 -1.459 1.00 0.00 O ATOM 394 H GLU B 14 -1.578 16.882 -2.936 1.00 0.00 H ATOM 395 HA GLU B 14 -0.912 19.833 -3.211 1.00 0.00 H ATOM 396 HB2 GLU B 14 -2.688 19.105 -4.578 1.00 0.00 H ATOM 397 HB3 GLU B 14 -3.401 18.063 -3.400 1.00 0.00 H ATOM 398 HG2 GLU B 14 -3.680 20.889 -2.485 1.00 0.00 H ATOM 399 HG3 GLU B 14 -4.275 20.689 -4.115 1.00 0.00 H ATOM 400 N ALA B 15 -2.547 18.984 -0.339 1.00 0.00 N ATOM 401 CA ALA B 15 -2.620 19.289 1.131 1.00 0.00 C ATOM 402 C ALA B 15 -1.833 18.311 2.094 1.00 0.00 C ATOM 403 O ALA B 15 -1.003 18.753 2.893 1.00 0.00 O ATOM 404 CB ALA B 15 -4.120 19.414 1.461 1.00 0.00 C ATOM 405 H ALA B 15 -3.270 18.462 -0.859 1.00 0.00 H ATOM 406 HA ALA B 15 -2.180 20.291 1.312 1.00 0.00 H ATOM 407 HB1 ALA B 15 -4.284 19.688 2.518 1.00 0.00 H ATOM 408 HB2 ALA B 15 -4.670 18.479 1.260 1.00 0.00 H ATOM 409 HB3 ALA B 15 -4.600 20.203 0.847 1.00 0.00 H ATOM 410 N GLY B 16 -2.113 16.995 2.048 1.00 0.00 N ATOM 411 CA GLY B 16 -1.273 15.919 2.690 1.00 0.00 C ATOM 412 C GLY B 16 0.135 15.633 2.104 1.00 0.00 C ATOM 413 O GLY B 16 0.427 14.494 1.738 1.00 0.00 O ATOM 414 H GLY B 16 -2.510 16.828 1.114 1.00 0.00 H ATOM 415 HA2 GLY B 16 -1.187 16.028 3.770 1.00 0.00 H ATOM 416 HA3 GLY B 16 -1.810 14.964 2.506 1.00 0.00 H ATOM 417 N CYS B 17 0.971 16.666 2.007 1.00 0.00 N ATOM 418 CA CYS B 17 2.239 16.688 1.227 1.00 0.00 C ATOM 419 C CYS B 17 3.174 15.428 1.091 1.00 0.00 C ATOM 420 O CYS B 17 4.218 15.282 1.718 1.00 0.00 O ATOM 421 CB CYS B 17 2.999 17.889 1.851 1.00 0.00 C ATOM 422 SG CYS B 17 3.158 17.825 3.673 1.00 0.00 S ATOM 423 H CYS B 17 0.531 17.531 2.354 1.00 0.00 H ATOM 424 HA CYS B 17 1.922 16.947 0.175 1.00 0.00 H ATOM 425 HB2 CYS B 17 4.006 18.000 1.410 1.00 0.00 H ATOM 426 HB3 CYS B 17 2.477 18.831 1.597 1.00 0.00 H HETATM 427 N NH2 B 18 2.894 14.489 0.214 1.00 0.00 N HETATM 428 HN1 NH2 B 18 1.893 14.435 0.002 1.00 0.00 H HETATM 429 HN2 NH2 B 18 3.518 13.685 0.326 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -1.248 5.284 -0.345 1.00 0.00 CO HETATM 432 C PC3 A 20 -0.549 9.343 1.278 1.00 0.00 C HETATM 433 C1 PC3 A 20 0.795 8.995 0.866 1.00 0.00 C HETATM 434 C2A PC3 A 20 0.701 7.657 0.372 1.00 0.00 C HETATM 435 N2B PC3 A 20 -0.588 7.149 0.350 1.00 0.00 N HETATM 436 C2C PC3 A 20 -1.337 8.181 0.901 1.00 0.00 C HETATM 437 CA PC3 A 20 1.834 6.865 -0.075 1.00 0.00 C HETATM 438 C4C PC3 A 20 1.885 5.502 -0.568 1.00 0.00 C HETATM 439 C2 PC3 A 20 3.093 4.808 -0.914 1.00 0.00 C HETATM 440 C3 PC3 A 20 2.641 3.518 -1.397 1.00 0.00 C HETATM 441 C4A PC3 A 20 1.225 3.558 -1.245 1.00 0.00 C HETATM 442 N4B PC3 A 20 0.732 4.752 -0.745 1.00 0.00 N HETATM 443 CB PC3 A 20 0.349 2.456 -1.576 1.00 0.00 C HETATM 444 C6C PC3 A 20 -1.081 2.371 -1.451 1.00 0.00 C HETATM 445 C4 PC3 A 20 -1.833 1.225 -1.806 1.00 0.00 C HETATM 446 C5 PC3 A 20 -3.189 1.586 -1.479 1.00 0.00 C HETATM 447 C6A PC3 A 20 -3.104 2.900 -0.994 1.00 0.00 C HETATM 448 N6B PC3 A 20 -1.839 3.418 -0.972 1.00 0.00 N HETATM 449 CC PC3 A 20 -4.244 3.645 -0.551 1.00 0.00 C HETATM 450 C8C PC3 A 20 -4.307 4.939 0.092 1.00 0.00 C HETATM 451 C6 PC3 A 20 -5.490 5.498 0.672 1.00 0.00 C HETATM 452 C7 PC3 A 20 -5.071 6.855 1.027 1.00 0.00 C HETATM 453 C8A PC3 A 20 -3.661 6.903 0.761 1.00 0.00 C HETATM 454 N8B PC3 A 20 -3.181 5.740 0.193 1.00 0.00 N HETATM 455 CD PC3 A 20 -2.783 8.038 1.058 1.00 0.00 C HETATM 456 C8 PC3 A 20 3.503 2.347 -1.884 1.00 0.00 C HETATM 457 C9 PC3 A 20 1.997 9.937 0.908 1.00 0.00 C HETATM 458 C10 PC3 A 20 -5.911 7.897 1.762 1.00 0.00 C HETATM 459 C11 PC3 A 20 -4.468 0.790 -1.534 1.00 0.00 C HETATM 460 C12 PC3 A 20 4.555 5.196 -0.625 1.00 0.00 C HETATM 461 CX5 PC3 A 20 5.164 6.374 -1.428 1.00 0.00 C HETATM 462 C14 PC3 A 20 -0.978 10.714 1.780 1.00 0.00 C HETATM 463 C15 PC3 A 20 -1.233 10.884 3.289 1.00 0.00 C HETATM 464 C16 PC3 A 20 -6.827 4.805 1.098 1.00 0.00 C HETATM 465 C17 PC3 A 20 -6.881 3.241 1.186 1.00 0.00 C HETATM 466 C18 PC3 A 20 -1.295 0.012 -2.552 1.00 0.00 C HETATM 467 C19 PC3 A 20 -1.389 0.238 -4.076 1.00 0.00 C HETATM 468 C21 PC3 A 20 -2.593 10.345 3.670 1.00 0.00 C HETATM 469 O1 PC3 A 20 -2.656 9.135 3.992 1.00 0.00 O HETATM 470 O2 PC3 A 20 -3.613 11.023 3.436 1.00 0.00 O HETATM 471 C22 PC3 A 20 5.679 7.496 -0.531 1.00 0.00 C HETATM 472 O3 PC3 A 20 4.929 8.478 -0.359 1.00 0.00 O HETATM 473 O22 PC3 A 20 6.750 7.346 0.086 1.00 0.00 O HETATM 474 C23 PC3 A 20 -0.924 1.600 -4.560 1.00 0.00 C HETATM 475 O23 PC3 A 20 -0.713 2.505 -3.707 1.00 0.00 O HETATM 476 O4 PC3 A 20 -0.829 1.826 -5.776 1.00 0.00 O HETATM 477 C24 PC3 A 20 -7.869 2.583 2.155 1.00 0.00 C HETATM 478 O5 PC3 A 20 -7.560 2.574 3.363 1.00 0.00 O HETATM 479 O6 PC3 A 20 -8.900 2.056 1.702 1.00 0.00 O HETATM 480 HA PC3 A 20 2.799 7.351 0.009 1.00 0.00 H HETATM 481 HB PC3 A 20 0.835 1.565 -1.960 1.00 0.00 H HETATM 482 HC PC3 A 20 -5.187 3.136 -0.693 1.00 0.00 H HETATM 483 HD PC3 A 20 -3.275 8.897 1.501 1.00 0.00 H HETATM 484 H81 PC3 A 20 3.705 1.619 -1.077 1.00 0.00 H HETATM 485 H82 PC3 A 20 4.485 2.690 -2.264 1.00 0.00 H HETATM 486 H83 PC3 A 20 3.028 1.798 -2.719 1.00 0.00 H HETATM 487 H91 PC3 A 20 1.944 10.708 0.118 1.00 0.00 H HETATM 488 H92 PC3 A 20 2.061 10.479 1.871 1.00 0.00 H HETATM 489 H93 PC3 A 20 2.967 9.425 0.776 1.00 0.00 H HETATM 490 H101 PC3 A 20 -5.710 7.875 2.852 1.00 0.00 H HETATM 491 H102 PC3 A 20 -5.697 8.931 1.432 1.00 0.00 H HETATM 492 H103 PC3 A 20 -6.997 7.732 1.634 1.00 0.00 H HETATM 493 H111 PC3 A 20 -4.273 -0.295 -1.523 1.00 0.00 H HETATM 494 H112 PC3 A 20 -5.127 1.002 -0.670 1.00 0.00 H HETATM 495 H113 PC3 A 20 -5.042 1.020 -2.447 1.00 0.00 H HETATM 496 H121 PC3 A 20 5.222 4.323 -0.757 1.00 0.00 H HETATM 497 H122 PC3 A 20 4.646 5.404 0.460 1.00 0.00 H HETATM 498 H221 PC3 A 20 4.452 6.809 -2.152 1.00 0.00 H HETATM 499 H222 PC3 A 20 6.019 6.029 -2.037 1.00 0.00 H HETATM 500 H141 PC3 A 20 -0.233 11.474 1.470 1.00 0.00 H HETATM 501 H142 PC3 A 20 -1.904 10.971 1.244 1.00 0.00 H HETATM 502 H151 PC3 A 20 -1.215 11.954 3.565 1.00 0.00 H HETATM 503 H152 PC3 A 20 -0.448 10.407 3.906 1.00 0.00 H HETATM 504 H161 PC3 A 20 -7.100 5.191 2.101 1.00 0.00 H HETATM 505 H162 PC3 A 20 -7.658 5.153 0.455 1.00 0.00 H HETATM 506 H171 PC3 A 20 -7.093 2.813 0.191 1.00 0.00 H HETATM 507 H172 PC3 A 20 -5.904 2.841 1.498 1.00 0.00 H HETATM 508 H181 PC3 A 20 -0.239 -0.160 -2.268 1.00 0.00 H HETATM 509 H182 PC3 A 20 -1.832 -0.911 -2.289 1.00 0.00 H HETATM 510 H192 PC3 A 20 -2.432 0.132 -4.416 1.00 0.00 H HETATM 511 H191 PC3 A 20 -0.822 -0.535 -4.626 1.00 0.00 H