HETATM 1 C ACE A 0 -5.111 -6.751 0.985 1.00 0.00 C HETATM 2 O ACE A 0 -4.151 -7.344 0.500 1.00 0.00 O HETATM 3 CH3 ACE A 0 -5.892 -7.353 2.133 1.00 0.00 C HETATM 4 H1 ACE A 0 -5.468 -8.335 2.407 1.00 0.00 H HETATM 5 H2 ACE A 0 -6.949 -7.516 1.858 1.00 0.00 H HETATM 6 H3 ACE A 0 -5.851 -6.713 3.032 1.00 0.00 H ATOM 7 N CYS A 1 -5.535 -5.563 0.574 1.00 0.00 N ATOM 8 CA CYS A 1 -4.845 -4.817 -0.543 1.00 0.00 C ATOM 9 C CYS A 1 -3.640 -3.879 -0.147 1.00 0.00 C ATOM 10 O CYS A 1 -2.913 -3.477 -1.060 1.00 0.00 O ATOM 11 CB CYS A 1 -5.986 -4.052 -1.264 1.00 0.00 C ATOM 12 SG CYS A 1 -5.341 -3.052 -2.628 1.00 0.00 S ATOM 13 H CYS A 1 -6.303 -5.191 1.169 1.00 0.00 H ATOM 14 HA CYS A 1 -4.390 -5.511 -1.313 1.00 0.00 H ATOM 15 HB2 CYS A 1 -6.741 -4.750 -1.676 1.00 0.00 H ATOM 16 HB3 CYS A 1 -6.528 -3.372 -0.578 1.00 0.00 H ATOM 17 N GLY A 2 -3.375 -3.530 1.134 1.00 0.00 N ATOM 18 CA GLY A 2 -2.386 -2.468 1.463 1.00 0.00 C ATOM 19 C GLY A 2 -1.678 -2.487 2.833 1.00 0.00 C ATOM 20 O GLY A 2 -1.753 -1.495 3.553 1.00 0.00 O ATOM 21 H GLY A 2 -4.010 -3.900 1.844 1.00 0.00 H ATOM 22 HA2 GLY A 2 -1.590 -2.412 0.698 1.00 0.00 H ATOM 23 HA3 GLY A 2 -2.911 -1.494 1.384 1.00 0.00 H ATOM 24 N ALA A 3 -0.914 -3.538 3.167 1.00 0.00 N ATOM 25 CA ALA A 3 -0.010 -3.538 4.358 1.00 0.00 C ATOM 26 C ALA A 3 1.412 -2.927 4.106 1.00 0.00 C ATOM 27 O ALA A 3 1.913 -2.171 4.939 1.00 0.00 O ATOM 28 CB ALA A 3 0.021 -4.985 4.835 1.00 0.00 C ATOM 29 H ALA A 3 -0.992 -4.355 2.557 1.00 0.00 H ATOM 30 HA ALA A 3 -0.460 -2.922 5.169 1.00 0.00 H ATOM 31 HB1 ALA A 3 0.633 -5.064 5.750 1.00 0.00 H ATOM 32 HB2 ALA A 3 -0.998 -5.340 5.076 1.00 0.00 H ATOM 33 HB3 ALA A 3 0.456 -5.651 4.068 1.00 0.00 H ATOM 34 N GLU A 4 2.083 -3.246 2.987 1.00 0.00 N ATOM 35 CA GLU A 4 3.287 -2.472 2.520 1.00 0.00 C ATOM 36 C GLU A 4 2.947 -0.958 2.198 1.00 0.00 C ATOM 37 O GLU A 4 3.704 -0.036 2.512 1.00 0.00 O ATOM 38 CB GLU A 4 3.871 -3.243 1.338 1.00 0.00 C ATOM 39 CG GLU A 4 5.314 -2.868 0.891 1.00 0.00 C ATOM 40 CD GLU A 4 6.459 -3.215 1.831 1.00 0.00 C ATOM 41 OE1 GLU A 4 6.355 -4.149 2.654 1.00 0.00 O ATOM 42 OE2 GLU A 4 7.501 -2.529 1.781 1.00 0.00 O ATOM 43 H GLU A 4 1.760 -4.107 2.531 1.00 0.00 H ATOM 44 HA GLU A 4 4.066 -2.515 3.289 1.00 0.00 H ATOM 45 HB2 GLU A 4 3.877 -4.307 1.630 1.00 0.00 H ATOM 46 HB3 GLU A 4 3.156 -3.109 0.513 1.00 0.00 H ATOM 47 HG2 GLU A 4 5.554 -3.372 -0.060 1.00 0.00 H ATOM 48 HG3 GLU A 4 5.386 -1.788 0.670 1.00 0.00 H ATOM 49 N ALA A 5 1.757 -0.714 1.605 1.00 0.00 N ATOM 50 CA ALA A 5 1.145 0.644 1.518 1.00 0.00 C ATOM 51 C ALA A 5 0.921 1.298 2.922 1.00 0.00 C ATOM 52 O ALA A 5 1.321 2.445 3.070 1.00 0.00 O ATOM 53 CB ALA A 5 -0.217 0.450 0.837 1.00 0.00 C ATOM 54 H ALA A 5 1.246 -1.604 1.486 1.00 0.00 H ATOM 55 HA ALA A 5 1.768 1.362 0.914 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.132 -0.051 -0.141 1.00 0.00 H ATOM 57 HB2 ALA A 5 -0.883 -0.163 1.472 1.00 0.00 H ATOM 58 HB3 ALA A 5 -0.742 1.406 0.712 1.00 0.00 H ATOM 59 N ALA A 6 0.316 0.623 3.925 1.00 0.00 N ATOM 60 CA ALA A 6 0.287 1.102 5.338 1.00 0.00 C ATOM 61 C ALA A 6 1.683 1.380 6.011 1.00 0.00 C ATOM 62 O ALA A 6 1.815 2.386 6.712 1.00 0.00 O ATOM 63 CB ALA A 6 -0.382 -0.025 6.107 1.00 0.00 C ATOM 64 H ALA A 6 -0.058 -0.312 3.684 1.00 0.00 H ATOM 65 HA ALA A 6 -0.389 1.998 5.424 1.00 0.00 H ATOM 66 HB1 ALA A 6 -1.373 -0.264 5.694 1.00 0.00 H ATOM 67 HB2 ALA A 6 -0.483 0.255 7.166 1.00 0.00 H ATOM 68 HB3 ALA A 6 0.241 -0.936 6.080 1.00 0.00 H ATOM 69 N LYS A 7 2.706 0.512 5.802 1.00 0.00 N ATOM 70 CA LYS A 7 4.129 0.810 6.187 1.00 0.00 C ATOM 71 C LYS A 7 4.690 2.151 5.562 1.00 0.00 C ATOM 72 O LYS A 7 5.256 2.983 6.278 1.00 0.00 O ATOM 73 CB LYS A 7 4.848 -0.502 5.764 1.00 0.00 C ATOM 74 CG LYS A 7 6.366 -0.683 6.003 1.00 0.00 C ATOM 75 CD LYS A 7 6.828 -1.881 5.139 1.00 0.00 C ATOM 76 CE LYS A 7 8.296 -2.311 5.271 1.00 0.00 C ATOM 77 NZ LYS A 7 8.546 -3.294 4.179 1.00 0.00 N ATOM 78 H LYS A 7 2.461 -0.370 5.288 1.00 0.00 H ATOM 79 HA LYS A 7 4.184 0.950 7.292 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.336 -1.370 6.232 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.661 -0.632 4.679 1.00 0.00 H ATOM 82 HG2 LYS A 7 6.915 0.236 5.712 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.572 -0.840 7.081 1.00 0.00 H ATOM 84 HD2 LYS A 7 6.170 -2.758 5.326 1.00 0.00 H ATOM 85 HD3 LYS A 7 6.619 -1.606 4.081 1.00 0.00 H ATOM 86 HE2 LYS A 7 8.963 -1.425 5.172 1.00 0.00 H ATOM 87 HE3 LYS A 7 8.494 -2.738 6.279 1.00 0.00 H ATOM 88 HZ1 LYS A 7 7.836 -4.046 4.116 1.00 0.00 H ATOM 89 HZ2 LYS A 7 8.298 -2.893 3.238 1.00 0.00 H ATOM 90 HZ3 LYS A 7 9.476 -3.706 4.074 1.00 0.00 H ATOM 91 N ALA A 8 4.480 2.377 4.249 1.00 0.00 N ATOM 92 CA ALA A 8 4.686 3.699 3.598 1.00 0.00 C ATOM 93 C ALA A 8 3.791 4.868 4.162 1.00 0.00 C ATOM 94 O ALA A 8 4.271 5.982 4.342 1.00 0.00 O ATOM 95 CB ALA A 8 4.360 3.498 2.131 1.00 0.00 C ATOM 96 H ALA A 8 4.164 1.554 3.722 1.00 0.00 H ATOM 97 HA ALA A 8 5.758 3.969 3.584 1.00 0.00 H ATOM 98 HB1 ALA A 8 4.571 4.440 1.598 1.00 0.00 H ATOM 99 HB2 ALA A 8 4.987 2.699 1.705 1.00 0.00 H ATOM 100 HB3 ALA A 8 3.299 3.246 1.993 1.00 0.00 H ATOM 101 N HIS A 9 2.487 4.631 4.431 1.00 0.00 N ATOM 102 CA HIS A 9 1.601 5.589 5.167 1.00 0.00 C ATOM 103 C HIS A 9 2.124 6.034 6.589 1.00 0.00 C ATOM 104 O HIS A 9 2.148 7.242 6.847 1.00 0.00 O ATOM 105 CB HIS A 9 0.173 4.980 5.058 1.00 0.00 C ATOM 106 CG HIS A 9 -0.500 4.710 3.680 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.418 3.666 3.495 1.00 0.00 N ATOM 108 CD2 HIS A 9 -0.226 5.311 2.462 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.710 3.748 2.117 1.00 0.00 C ATOM 110 NE2 HIS A 9 -1.026 4.759 1.527 1.00 0.00 N ATOM 111 H HIS A 9 2.169 3.663 4.208 1.00 0.00 H ATOM 112 HA HIS A 9 1.613 6.565 4.658 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.222 4.023 5.605 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.505 5.606 5.650 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.945 3.122 4.191 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.496 6.085 2.263 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.401 3.047 1.648 1.00 0.00 H ATOM 118 N ALA A 10 2.574 5.122 7.476 1.00 0.00 N ATOM 119 CA ALA A 10 3.378 5.480 8.671 1.00 0.00 C ATOM 120 C ALA A 10 4.709 6.267 8.370 1.00 0.00 C ATOM 121 O ALA A 10 4.921 7.344 8.939 1.00 0.00 O ATOM 122 CB ALA A 10 3.638 4.098 9.320 1.00 0.00 C ATOM 123 H ALA A 10 1.968 4.308 7.637 1.00 0.00 H ATOM 124 HA ALA A 10 2.778 6.117 9.347 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.209 3.427 8.644 1.00 0.00 H ATOM 126 HB2 ALA A 10 2.708 3.559 9.581 1.00 0.00 H ATOM 127 HB3 ALA A 10 4.239 4.187 10.241 1.00 0.00 H ATOM 128 N LYS A 11 5.559 5.784 7.433 1.00 0.00 N ATOM 129 CA LYS A 11 6.752 6.569 6.953 1.00 0.00 C ATOM 130 C LYS A 11 6.467 8.065 6.553 1.00 0.00 C ATOM 131 O LYS A 11 7.149 8.982 7.038 1.00 0.00 O ATOM 132 CB LYS A 11 7.495 5.767 5.849 1.00 0.00 C ATOM 133 CG LYS A 11 8.794 6.394 5.265 1.00 0.00 C ATOM 134 CD LYS A 11 10.100 6.308 6.099 1.00 0.00 C ATOM 135 CE LYS A 11 10.206 7.042 7.456 1.00 0.00 C ATOM 136 NZ LYS A 11 9.936 8.503 7.372 1.00 0.00 N ATOM 137 H LYS A 11 5.091 5.043 6.879 1.00 0.00 H ATOM 138 HA LYS A 11 7.432 6.627 7.815 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.699 4.737 6.200 1.00 0.00 H ATOM 140 HB3 LYS A 11 6.791 5.640 5.002 1.00 0.00 H ATOM 141 HG2 LYS A 11 8.983 5.888 4.296 1.00 0.00 H ATOM 142 HG3 LYS A 11 8.602 7.438 4.941 1.00 0.00 H ATOM 143 HD2 LYS A 11 10.327 5.238 6.269 1.00 0.00 H ATOM 144 HD3 LYS A 11 10.933 6.651 5.454 1.00 0.00 H ATOM 145 HE2 LYS A 11 9.545 6.573 8.218 1.00 0.00 H ATOM 146 HE3 LYS A 11 11.211 6.876 7.909 1.00 0.00 H ATOM 147 HZ1 LYS A 11 10.525 9.033 6.726 1.00 0.00 H ATOM 148 HZ2 LYS A 11 8.951 8.732 7.149 1.00 0.00 H ATOM 149 HZ3 LYS A 11 10.073 8.950 8.317 1.00 0.00 H ATOM 150 N ALA A 12 5.424 8.287 5.739 1.00 0.00 N ATOM 151 CA ALA A 12 4.872 9.625 5.464 1.00 0.00 C ATOM 152 C ALA A 12 4.459 10.398 6.763 1.00 0.00 C ATOM 153 O ALA A 12 5.202 11.279 7.201 1.00 0.00 O ATOM 154 CB ALA A 12 3.721 9.434 4.450 1.00 0.00 C ATOM 155 H ALA A 12 5.205 7.487 5.126 1.00 0.00 H ATOM 156 HA ALA A 12 5.694 10.185 4.982 1.00 0.00 H ATOM 157 HB1 ALA A 12 3.187 10.379 4.257 1.00 0.00 H ATOM 158 HB2 ALA A 12 4.109 9.096 3.479 1.00 0.00 H ATOM 159 HB3 ALA A 12 2.975 8.695 4.791 1.00 0.00 H ATOM 160 N ALA A 13 3.350 10.044 7.432 1.00 0.00 N ATOM 161 CA ALA A 13 2.996 10.524 8.799 1.00 0.00 C ATOM 162 C ALA A 13 4.108 10.614 9.913 1.00 0.00 C ATOM 163 O ALA A 13 3.888 11.278 10.928 1.00 0.00 O ATOM 164 CB ALA A 13 1.879 9.551 9.227 1.00 0.00 C ATOM 165 H ALA A 13 2.858 9.256 7.015 1.00 0.00 H ATOM 166 HA ALA A 13 2.567 11.540 8.711 1.00 0.00 H ATOM 167 HB1 ALA A 13 1.460 9.824 10.211 1.00 0.00 H ATOM 168 HB2 ALA A 13 1.037 9.522 8.510 1.00 0.00 H ATOM 169 HB3 ALA A 13 2.262 8.515 9.320 1.00 0.00 H ATOM 170 N GLU A 14 5.280 9.990 9.702 1.00 0.00 N ATOM 171 CA GLU A 14 6.481 10.192 10.579 1.00 0.00 C ATOM 172 C GLU A 14 7.265 11.477 10.155 1.00 0.00 C ATOM 173 O GLU A 14 7.356 12.433 10.929 1.00 0.00 O ATOM 174 CB GLU A 14 7.288 8.868 10.609 1.00 0.00 C ATOM 175 CG GLU A 14 8.635 8.879 11.403 1.00 0.00 C ATOM 176 CD GLU A 14 9.876 8.645 10.564 1.00 0.00 C ATOM 177 OE1 GLU A 14 10.302 9.568 9.838 1.00 0.00 O ATOM 178 OE2 GLU A 14 10.348 7.495 10.487 1.00 0.00 O ATOM 179 H GLU A 14 5.322 9.657 8.696 1.00 0.00 H ATOM 180 HA GLU A 14 6.149 10.370 11.621 1.00 0.00 H ATOM 181 HB2 GLU A 14 6.624 8.096 11.045 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.451 8.526 9.572 1.00 0.00 H ATOM 183 HG2 GLU A 14 8.790 9.829 11.946 1.00 0.00 H ATOM 184 HG3 GLU A 14 8.630 8.102 12.186 1.00 0.00 H ATOM 185 N ALA A 15 7.770 11.532 8.912 1.00 0.00 N ATOM 186 CA ALA A 15 8.292 12.793 8.318 1.00 0.00 C ATOM 187 C ALA A 15 7.174 13.526 7.492 1.00 0.00 C ATOM 188 O ALA A 15 7.383 13.908 6.339 1.00 0.00 O ATOM 189 CB ALA A 15 9.423 12.288 7.430 1.00 0.00 C ATOM 190 H ALA A 15 7.573 10.691 8.348 1.00 0.00 H ATOM 191 HA ALA A 15 8.727 13.475 9.081 1.00 0.00 H ATOM 192 HB1 ALA A 15 9.898 13.149 6.933 1.00 0.00 H ATOM 193 HB2 ALA A 15 10.180 11.752 8.028 1.00 0.00 H ATOM 194 HB3 ALA A 15 9.023 11.622 6.640 1.00 0.00 H ATOM 195 N GLY A 16 6.051 13.829 8.173 1.00 0.00 N ATOM 196 CA GLY A 16 4.712 14.209 7.573 1.00 0.00 C ATOM 197 C GLY A 16 4.613 14.525 6.059 1.00 0.00 C ATOM 198 O GLY A 16 4.601 15.630 5.521 1.00 0.00 O ATOM 199 H GLY A 16 6.071 12.883 8.606 1.00 0.00 H ATOM 200 HA2 GLY A 16 3.956 13.441 7.864 1.00 0.00 H ATOM 201 HA3 GLY A 16 4.327 15.095 8.102 1.00 0.00 H ATOM 202 N CYS A 17 4.589 13.330 5.478 1.00 0.00 N ATOM 203 CA CYS A 17 4.769 12.965 4.055 1.00 0.00 C ATOM 204 C CYS A 17 6.002 13.599 3.365 1.00 0.00 C ATOM 205 O CYS A 17 6.321 13.385 2.192 1.00 0.00 O ATOM 206 CB CYS A 17 3.465 13.158 3.257 1.00 0.00 C ATOM 207 SG CYS A 17 3.047 14.901 3.023 1.00 0.00 S ATOM 208 H CYS A 17 4.709 12.668 6.271 1.00 0.00 H ATOM 209 HA CYS A 17 4.999 11.860 4.111 1.00 0.00 H ATOM 210 HB2 CYS A 17 3.564 12.678 2.267 1.00 0.00 H ATOM 211 HB3 CYS A 17 2.622 12.651 3.760 1.00 0.00 H HETATM 212 N NH2 A 18 6.680 14.417 4.142 1.00 0.00 N HETATM 213 HN1 NH2 A 18 6.382 14.567 5.112 1.00 0.00 H HETATM 214 HN2 NH2 A 18 7.506 14.904 3.778 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -10.396 0.129 -4.703 1.00 0.00 C HETATM 217 O ACE B 0 -11.241 -0.610 -5.191 1.00 0.00 O HETATM 218 CH3 ACE B 0 -10.678 1.618 -4.570 1.00 0.00 C HETATM 219 H1 ACE B 0 -11.671 1.867 -4.983 1.00 0.00 H HETATM 220 H2 ACE B 0 -10.670 1.930 -3.510 1.00 0.00 H HETATM 221 H3 ACE B 0 -9.926 2.212 -5.114 1.00 0.00 H ATOM 222 N CYS B 1 -9.251 -0.439 -4.341 1.00 0.00 N ATOM 223 CA CYS B 1 -8.071 0.308 -3.780 1.00 0.00 C ATOM 224 C CYS B 1 -7.078 0.974 -4.810 1.00 0.00 C ATOM 225 O CYS B 1 -6.345 1.880 -4.414 1.00 0.00 O ATOM 226 CB CYS B 1 -7.380 -0.701 -2.838 1.00 0.00 C ATOM 227 SG CYS B 1 -6.840 -2.214 -3.666 1.00 0.00 S ATOM 228 H CYS B 1 -9.289 -1.456 -4.517 1.00 0.00 H ATOM 229 HA CYS B 1 -8.389 1.165 -3.121 1.00 0.00 H ATOM 230 HB2 CYS B 1 -6.505 -0.234 -2.356 1.00 0.00 H ATOM 231 HB3 CYS B 1 -8.050 -0.977 -2.001 1.00 0.00 H ATOM 232 N GLY B 2 -7.055 0.597 -6.110 1.00 0.00 N ATOM 233 CA GLY B 2 -6.234 1.303 -7.148 1.00 0.00 C ATOM 234 C GLY B 2 -6.630 2.745 -7.571 1.00 0.00 C ATOM 235 O GLY B 2 -5.755 3.577 -7.803 1.00 0.00 O ATOM 236 H GLY B 2 -7.687 -0.183 -6.321 1.00 0.00 H ATOM 237 HA2 GLY B 2 -5.180 1.341 -6.809 1.00 0.00 H ATOM 238 HA3 GLY B 2 -6.200 0.690 -8.067 1.00 0.00 H ATOM 239 N ALA B 3 -7.926 3.057 -7.707 1.00 0.00 N ATOM 240 CA ALA B 3 -8.391 4.461 -7.878 1.00 0.00 C ATOM 241 C ALA B 3 -8.369 5.341 -6.583 1.00 0.00 C ATOM 242 O ALA B 3 -8.015 6.514 -6.708 1.00 0.00 O ATOM 243 CB ALA B 3 -9.771 4.358 -8.515 1.00 0.00 C ATOM 244 H ALA B 3 -8.586 2.286 -7.588 1.00 0.00 H ATOM 245 HA ALA B 3 -7.722 4.984 -8.607 1.00 0.00 H ATOM 246 HB1 ALA B 3 -10.487 3.847 -7.846 1.00 0.00 H ATOM 247 HB2 ALA B 3 -10.160 5.368 -8.731 1.00 0.00 H ATOM 248 HB3 ALA B 3 -9.722 3.808 -9.472 1.00 0.00 H ATOM 249 N GLU B 4 -8.707 4.835 -5.366 1.00 0.00 N ATOM 250 CA GLU B 4 -8.421 5.577 -4.090 1.00 0.00 C ATOM 251 C GLU B 4 -6.907 5.870 -3.909 1.00 0.00 C ATOM 252 O GLU B 4 -6.540 6.994 -3.577 1.00 0.00 O ATOM 253 CB GLU B 4 -9.036 4.893 -2.844 1.00 0.00 C ATOM 254 CG GLU B 4 -8.795 5.621 -1.476 1.00 0.00 C ATOM 255 CD GLU B 4 -9.169 7.096 -1.378 1.00 0.00 C ATOM 256 OE1 GLU B 4 -10.379 7.382 -1.413 1.00 0.00 O ATOM 257 OE2 GLU B 4 -8.296 7.975 -1.294 1.00 0.00 O ATOM 258 H GLU B 4 -9.199 3.938 -5.390 1.00 0.00 H ATOM 259 HA GLU B 4 -8.876 6.571 -4.196 1.00 0.00 H ATOM 260 HB2 GLU B 4 -10.124 4.785 -3.007 1.00 0.00 H ATOM 261 HB3 GLU B 4 -8.645 3.859 -2.775 1.00 0.00 H ATOM 262 HG2 GLU B 4 -9.355 5.110 -0.674 1.00 0.00 H ATOM 263 HG3 GLU B 4 -7.738 5.545 -1.176 1.00 0.00 H ATOM 264 N ALA B 5 -6.023 4.894 -4.180 1.00 0.00 N ATOM 265 CA ALA B 5 -4.573 5.182 -4.361 1.00 0.00 C ATOM 266 C ALA B 5 -4.344 6.352 -5.354 1.00 0.00 C ATOM 267 O ALA B 5 -3.828 7.373 -4.919 1.00 0.00 O ATOM 268 CB ALA B 5 -3.913 3.928 -4.944 1.00 0.00 C ATOM 269 H ALA B 5 -6.530 4.092 -4.595 1.00 0.00 H ATOM 270 HA ALA B 5 -4.067 5.481 -3.406 1.00 0.00 H ATOM 271 HB1 ALA B 5 -3.978 3.065 -4.276 1.00 0.00 H ATOM 272 HB2 ALA B 5 -2.866 4.120 -5.239 1.00 0.00 H ATOM 273 HB3 ALA B 5 -4.410 3.647 -5.888 1.00 0.00 H ATOM 274 N ALA B 6 -4.797 6.264 -6.614 1.00 0.00 N ATOM 275 CA ALA B 6 -4.483 7.288 -7.619 1.00 0.00 C ATOM 276 C ALA B 6 -4.940 8.767 -7.268 1.00 0.00 C ATOM 277 O ALA B 6 -4.130 9.696 -7.227 1.00 0.00 O ATOM 278 CB ALA B 6 -5.187 6.783 -8.873 1.00 0.00 C ATOM 279 H ALA B 6 -5.396 5.449 -6.841 1.00 0.00 H ATOM 280 HA ALA B 6 -3.382 7.167 -7.735 1.00 0.00 H ATOM 281 HB1 ALA B 6 -6.283 6.779 -8.718 1.00 0.00 H ATOM 282 HB2 ALA B 6 -4.970 7.462 -9.711 1.00 0.00 H ATOM 283 HB3 ALA B 6 -4.864 5.761 -9.132 1.00 0.00 H ATOM 284 N LYS B 7 -6.247 8.917 -6.955 1.00 0.00 N ATOM 285 CA LYS B 7 -6.886 10.132 -6.368 1.00 0.00 C ATOM 286 C LYS B 7 -6.180 10.684 -5.092 1.00 0.00 C ATOM 287 O LYS B 7 -5.768 11.840 -5.099 1.00 0.00 O ATOM 288 CB LYS B 7 -8.352 9.647 -6.076 1.00 0.00 C ATOM 289 CG LYS B 7 -9.304 10.562 -5.250 1.00 0.00 C ATOM 290 CD LYS B 7 -10.115 9.731 -4.223 1.00 0.00 C ATOM 291 CE LYS B 7 -10.814 10.572 -3.144 1.00 0.00 C ATOM 292 NZ LYS B 7 -11.466 9.637 -2.186 1.00 0.00 N ATOM 293 H LYS B 7 -6.762 8.025 -6.984 1.00 0.00 H ATOM 294 HA LYS B 7 -6.836 10.959 -7.120 1.00 0.00 H ATOM 295 HB2 LYS B 7 -8.854 9.341 -7.014 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.258 8.684 -5.524 1.00 0.00 H ATOM 297 HG2 LYS B 7 -8.720 11.334 -4.711 1.00 0.00 H ATOM 298 HG3 LYS B 7 -9.969 11.134 -5.927 1.00 0.00 H ATOM 299 HD2 LYS B 7 -10.832 9.076 -4.761 1.00 0.00 H ATOM 300 HD3 LYS B 7 -9.420 9.028 -3.707 1.00 0.00 H ATOM 301 HE2 LYS B 7 -10.051 11.193 -2.621 1.00 0.00 H ATOM 302 HE3 LYS B 7 -11.538 11.285 -3.596 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -11.752 10.021 -1.281 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -10.821 8.847 -1.897 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -12.248 9.093 -2.566 1.00 0.00 H ATOM 306 N ALA B 8 -6.027 9.899 -4.011 1.00 0.00 N ATOM 307 CA ALA B 8 -5.156 10.273 -2.869 1.00 0.00 C ATOM 308 C ALA B 8 -3.681 10.663 -3.186 1.00 0.00 C ATOM 309 O ALA B 8 -3.067 11.403 -2.420 1.00 0.00 O ATOM 310 CB ALA B 8 -5.028 9.031 -2.018 1.00 0.00 C ATOM 311 H ALA B 8 -6.409 8.945 -4.094 1.00 0.00 H ATOM 312 HA ALA B 8 -5.653 11.033 -2.231 1.00 0.00 H ATOM 313 HB1 ALA B 8 -6.010 8.713 -1.644 1.00 0.00 H ATOM 314 HB2 ALA B 8 -4.385 9.275 -1.162 1.00 0.00 H ATOM 315 HB3 ALA B 8 -4.558 8.209 -2.587 1.00 0.00 H ATOM 316 N HIS B 9 -3.069 10.055 -4.220 1.00 0.00 N ATOM 317 CA HIS B 9 -1.651 10.324 -4.583 1.00 0.00 C ATOM 318 C HIS B 9 -1.530 11.739 -5.236 1.00 0.00 C ATOM 319 O HIS B 9 -0.766 12.553 -4.712 1.00 0.00 O ATOM 320 CB HIS B 9 -1.182 9.031 -5.290 1.00 0.00 C ATOM 321 CG HIS B 9 -1.059 7.781 -4.380 1.00 0.00 C ATOM 322 ND1 HIS B 9 -0.928 6.516 -4.950 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.294 7.683 -2.996 1.00 0.00 C ATOM 324 CE1 HIS B 9 -1.021 5.684 -3.825 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.195 6.383 -2.677 1.00 0.00 N ATOM 326 H HIS B 9 -3.677 9.469 -4.848 1.00 0.00 H ATOM 327 HA HIS B 9 -1.026 10.400 -3.670 1.00 0.00 H ATOM 328 HB2 HIS B 9 -1.890 8.800 -6.114 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.222 9.222 -5.789 1.00 0.00 H ATOM 330 HD1 HIS B 9 -0.643 6.255 -5.905 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.517 8.500 -2.312 1.00 0.00 H ATOM 332 HE1 HIS B 9 -0.955 4.608 -3.929 1.00 0.00 H ATOM 333 N ALA B 10 -2.350 12.045 -6.262 1.00 0.00 N ATOM 334 CA ALA B 10 -2.592 13.427 -6.747 1.00 0.00 C ATOM 335 C ALA B 10 -3.009 14.473 -5.638 1.00 0.00 C ATOM 336 O ALA B 10 -2.371 15.518 -5.496 1.00 0.00 O ATOM 337 CB ALA B 10 -3.734 13.187 -7.776 1.00 0.00 C ATOM 338 H ALA B 10 -2.753 11.265 -6.795 1.00 0.00 H ATOM 339 HA ALA B 10 -1.685 13.821 -7.239 1.00 0.00 H ATOM 340 HB1 ALA B 10 -4.642 12.754 -7.301 1.00 0.00 H ATOM 341 HB2 ALA B 10 -4.073 14.128 -8.244 1.00 0.00 H ATOM 342 HB3 ALA B 10 -3.458 12.492 -8.592 1.00 0.00 H ATOM 343 N LYS B 11 -4.036 14.147 -4.826 1.00 0.00 N ATOM 344 CA LYS B 11 -4.533 15.024 -3.715 1.00 0.00 C ATOM 345 C LYS B 11 -3.486 15.362 -2.596 1.00 0.00 C ATOM 346 O LYS B 11 -3.393 16.506 -2.144 1.00 0.00 O ATOM 347 CB LYS B 11 -5.801 14.300 -3.187 1.00 0.00 C ATOM 348 CG LYS B 11 -6.610 15.036 -2.090 1.00 0.00 C ATOM 349 CD LYS B 11 -6.679 14.202 -0.794 1.00 0.00 C ATOM 350 CE LYS B 11 -7.338 14.971 0.355 1.00 0.00 C ATOM 351 NZ LYS B 11 -7.074 14.262 1.632 1.00 0.00 N ATOM 352 H LYS B 11 -4.227 13.130 -4.854 1.00 0.00 H ATOM 353 HA LYS B 11 -4.847 15.998 -4.147 1.00 0.00 H ATOM 354 HB2 LYS B 11 -6.477 14.107 -4.040 1.00 0.00 H ATOM 355 HB3 LYS B 11 -5.493 13.292 -2.843 1.00 0.00 H ATOM 356 HG2 LYS B 11 -6.151 16.029 -1.888 1.00 0.00 H ATOM 357 HG3 LYS B 11 -7.622 15.283 -2.466 1.00 0.00 H ATOM 358 HD2 LYS B 11 -7.200 13.242 -0.976 1.00 0.00 H ATOM 359 HD3 LYS B 11 -5.638 13.920 -0.516 1.00 0.00 H ATOM 360 HE2 LYS B 11 -6.893 15.993 0.403 1.00 0.00 H ATOM 361 HE3 LYS B 11 -8.422 15.129 0.172 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -7.241 14.749 2.517 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -6.059 13.979 1.714 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -7.427 13.298 1.726 1.00 0.00 H ATOM 365 N ALA B 12 -2.713 14.358 -2.149 1.00 0.00 N ATOM 366 CA ALA B 12 -1.520 14.572 -1.302 1.00 0.00 C ATOM 367 C ALA B 12 -0.439 15.424 -2.057 1.00 0.00 C ATOM 368 O ALA B 12 -0.275 16.585 -1.739 1.00 0.00 O ATOM 369 CB ALA B 12 -1.065 13.190 -0.801 1.00 0.00 C ATOM 370 H ALA B 12 -3.011 13.437 -2.477 1.00 0.00 H ATOM 371 HA ALA B 12 -1.845 15.154 -0.421 1.00 0.00 H ATOM 372 HB1 ALA B 12 -0.203 13.288 -0.121 1.00 0.00 H ATOM 373 HB2 ALA B 12 -0.764 12.528 -1.634 1.00 0.00 H ATOM 374 HB3 ALA B 12 -1.871 12.690 -0.235 1.00 0.00 H ATOM 375 N ALA B 13 0.244 14.938 -3.089 1.00 0.00 N ATOM 376 CA ALA B 13 1.095 15.768 -4.022 1.00 0.00 C ATOM 377 C ALA B 13 0.711 17.282 -4.338 1.00 0.00 C ATOM 378 O ALA B 13 1.581 18.128 -4.551 1.00 0.00 O ATOM 379 CB ALA B 13 1.158 14.900 -5.289 1.00 0.00 C ATOM 380 H ALA B 13 -0.030 13.971 -3.220 1.00 0.00 H ATOM 381 HA ALA B 13 2.113 15.819 -3.596 1.00 0.00 H ATOM 382 HB1 ALA B 13 1.818 15.344 -6.051 1.00 0.00 H ATOM 383 HB2 ALA B 13 0.153 14.796 -5.744 1.00 0.00 H ATOM 384 HB3 ALA B 13 1.525 13.877 -5.079 1.00 0.00 H ATOM 385 N GLU B 14 -0.599 17.555 -4.355 1.00 0.00 N ATOM 386 CA GLU B 14 -1.220 18.915 -4.348 1.00 0.00 C ATOM 387 C GLU B 14 -1.178 19.585 -2.908 1.00 0.00 C ATOM 388 O GLU B 14 -0.344 20.462 -2.664 1.00 0.00 O ATOM 389 CB GLU B 14 -2.653 18.692 -4.938 1.00 0.00 C ATOM 390 CG GLU B 14 -3.668 19.876 -4.904 1.00 0.00 C ATOM 391 CD GLU B 14 -5.131 19.455 -4.835 1.00 0.00 C ATOM 392 OE1 GLU B 14 -5.530 18.829 -3.825 1.00 0.00 O ATOM 393 OE2 GLU B 14 -5.888 19.747 -5.781 1.00 0.00 O ATOM 394 H GLU B 14 -1.101 16.696 -4.087 1.00 0.00 H ATOM 395 HA GLU B 14 -0.665 19.583 -5.035 1.00 0.00 H ATOM 396 HB2 GLU B 14 -2.573 18.326 -5.980 1.00 0.00 H ATOM 397 HB3 GLU B 14 -3.118 17.847 -4.394 1.00 0.00 H ATOM 398 HG2 GLU B 14 -3.517 20.524 -4.027 1.00 0.00 H ATOM 399 HG3 GLU B 14 -3.538 20.533 -5.781 1.00 0.00 H ATOM 400 N ALA B 15 -2.071 19.203 -1.966 1.00 0.00 N ATOM 401 CA ALA B 15 -2.112 19.759 -0.574 1.00 0.00 C ATOM 402 C ALA B 15 -1.198 19.055 0.505 1.00 0.00 C ATOM 403 O ALA B 15 -0.584 19.717 1.346 1.00 0.00 O ATOM 404 CB ALA B 15 -3.605 19.768 -0.189 1.00 0.00 C ATOM 405 H ALA B 15 -2.786 18.558 -2.342 1.00 0.00 H ATOM 406 HA ALA B 15 -1.775 20.815 -0.599 1.00 0.00 H ATOM 407 HB1 ALA B 15 -3.763 20.230 0.802 1.00 0.00 H ATOM 408 HB2 ALA B 15 -4.026 18.746 -0.151 1.00 0.00 H ATOM 409 HB3 ALA B 15 -4.213 20.342 -0.916 1.00 0.00 H ATOM 410 N GLY B 16 -1.186 17.714 0.523 1.00 0.00 N ATOM 411 CA GLY B 16 -0.195 16.884 1.263 1.00 0.00 C ATOM 412 C GLY B 16 1.223 16.858 0.634 1.00 0.00 C ATOM 413 O GLY B 16 1.809 17.888 0.303 1.00 0.00 O ATOM 414 H GLY B 16 -1.506 17.384 -0.396 1.00 0.00 H ATOM 415 HA2 GLY B 16 -0.131 17.134 2.317 1.00 0.00 H ATOM 416 HA3 GLY B 16 -0.594 15.847 1.196 1.00 0.00 H ATOM 417 N CYS B 17 1.742 15.634 0.440 1.00 0.00 N ATOM 418 CA CYS B 17 2.930 15.344 -0.387 1.00 0.00 C ATOM 419 C CYS B 17 3.110 13.790 -0.605 1.00 0.00 C ATOM 420 O CYS B 17 2.310 12.947 -0.206 1.00 0.00 O ATOM 421 CB CYS B 17 4.182 16.050 0.200 1.00 0.00 C ATOM 422 SG CYS B 17 4.472 15.873 1.986 1.00 0.00 S ATOM 423 H CYS B 17 1.347 14.887 1.004 1.00 0.00 H ATOM 424 HA CYS B 17 2.670 15.762 -1.398 1.00 0.00 H ATOM 425 HB2 CYS B 17 5.091 15.731 -0.328 1.00 0.00 H ATOM 426 HB3 CYS B 17 4.090 17.132 0.007 1.00 0.00 H HETATM 427 N NH2 B 18 4.140 13.319 -1.278 1.00 0.00 N HETATM 428 HN1 NH2 B 18 4.226 12.304 -1.162 1.00 0.00 H HETATM 429 HN2 NH2 B 18 4.916 13.974 -1.395 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -1.194 5.523 -0.609 1.00 0.00 CO HETATM 432 C PC3 A 20 -3.710 8.572 1.283 1.00 0.00 C HETATM 433 C1 PC3 A 20 -4.704 7.553 0.995 1.00 0.00 C HETATM 434 C2A PC3 A 20 -3.980 6.510 0.335 1.00 0.00 C HETATM 435 N2B PC3 A 20 -2.630 6.760 0.208 1.00 0.00 N HETATM 436 C2C PC3 A 20 -2.493 8.017 0.774 1.00 0.00 C HETATM 437 CA PC3 A 20 -4.570 5.286 -0.166 1.00 0.00 C HETATM 438 C4C PC3 A 20 -3.938 4.108 -0.734 1.00 0.00 C HETATM 439 C2 PC3 A 20 -4.629 2.899 -1.060 1.00 0.00 C HETATM 440 C3 PC3 A 20 -3.612 2.057 -1.674 1.00 0.00 C HETATM 441 C4A PC3 A 20 -2.409 2.813 -1.558 1.00 0.00 C HETATM 442 N4B PC3 A 20 -2.585 4.067 -1.003 1.00 0.00 N HETATM 443 CB PC3 A 20 -1.096 2.341 -1.963 1.00 0.00 C HETATM 444 C6C PC3 A 20 0.187 2.975 -1.786 1.00 0.00 C HETATM 445 C4 PC3 A 20 1.424 2.378 -2.136 1.00 0.00 C HETATM 446 C5 PC3 A 20 2.412 3.356 -1.757 1.00 0.00 C HETATM 447 C6A PC3 A 20 1.668 4.455 -1.282 1.00 0.00 C HETATM 448 N6B PC3 A 20 0.305 4.246 -1.256 1.00 0.00 N HETATM 449 CC PC3 A 20 2.266 5.696 -0.863 1.00 0.00 C HETATM 450 C8C PC3 A 20 1.632 6.880 -0.323 1.00 0.00 C HETATM 451 C6 PC3 A 20 2.331 8.059 0.079 1.00 0.00 C HETATM 452 C7 PC3 A 20 1.299 8.923 0.614 1.00 0.00 C HETATM 453 C8A PC3 A 20 0.092 8.191 0.442 1.00 0.00 C HETATM 454 N8B PC3 A 20 0.261 6.950 -0.148 1.00 0.00 N HETATM 455 CD PC3 A 20 -1.211 8.675 0.841 1.00 0.00 C HETATM 456 C8 PC3 A 20 -3.780 0.603 -2.137 1.00 0.00 C HETATM 457 C9 PC3 A 20 -6.185 7.626 1.362 1.00 0.00 C HETATM 458 C10 PC3 A 20 1.479 10.275 1.304 1.00 0.00 C HETATM 459 C11 PC3 A 20 3.913 3.305 -1.937 1.00 0.00 C HETATM 460 C12 PC3 A 20 -6.016 2.434 -0.544 1.00 0.00 C HETATM 461 CX5 PC3 A 20 -6.315 2.566 0.990 1.00 0.00 C HETATM 462 C14 PC3 A 20 -3.941 9.864 2.064 1.00 0.00 C HETATM 463 C15 PC3 A 20 -4.375 11.028 1.155 1.00 0.00 C HETATM 464 C16 PC3 A 20 3.842 8.342 0.076 1.00 0.00 C HETATM 465 C17 PC3 A 20 4.625 7.559 1.162 1.00 0.00 C HETATM 466 C18 PC3 A 20 1.650 1.126 -2.973 1.00 0.00 C HETATM 467 C19 PC3 A 20 1.518 1.446 -4.489 1.00 0.00 C HETATM 468 C21 PC3 A 20 -4.877 12.230 1.926 1.00 0.00 C HETATM 469 O1 PC3 A 20 -5.831 12.071 2.710 1.00 0.00 O HETATM 470 O2 PC3 A 20 -4.444 13.361 1.645 1.00 0.00 O HETATM 471 C22 PC3 A 20 -5.133 2.487 1.964 1.00 0.00 C HETATM 472 O3 PC3 A 20 -4.719 3.559 2.459 1.00 0.00 O HETATM 473 O22 PC3 A 20 -4.449 1.445 2.023 1.00 0.00 O HETATM 474 C23 PC3 A 20 1.371 2.918 -4.877 1.00 0.00 C HETATM 475 O23 PC3 A 20 1.194 3.761 -3.952 1.00 0.00 O HETATM 476 O4 PC3 A 20 1.266 3.240 -6.071 1.00 0.00 O HETATM 477 C24 PC3 A 20 5.866 8.222 1.760 1.00 0.00 C HETATM 478 O5 PC3 A 20 6.512 7.545 2.588 1.00 0.00 O HETATM 479 O6 PC3 A 20 6.165 9.394 1.469 1.00 0.00 O HETATM 480 HA PC3 A 20 -5.638 5.196 -0.008 1.00 0.00 H HETATM 481 HB PC3 A 20 -1.058 1.347 -2.395 1.00 0.00 H HETATM 482 HC PC3 A 20 3.347 5.741 -0.947 1.00 0.00 H HETATM 483 HD PC3 A 20 -1.227 9.665 1.285 1.00 0.00 H HETATM 484 H81 PC3 A 20 -4.400 0.550 -3.050 1.00 0.00 H HETATM 485 H82 PC3 A 20 -2.829 0.091 -2.362 1.00 0.00 H HETATM 486 H83 PC3 A 20 -4.283 -0.003 -1.359 1.00 0.00 H HETATM 487 H91 PC3 A 20 -6.354 7.366 2.424 1.00 0.00 H HETATM 488 H92 PC3 A 20 -6.595 8.643 1.210 1.00 0.00 H HETATM 489 H93 PC3 A 20 -6.822 6.954 0.757 1.00 0.00 H HETATM 490 H101 PC3 A 20 1.208 10.236 2.376 1.00 0.00 H HETATM 491 H102 PC3 A 20 2.523 10.640 1.269 1.00 0.00 H HETATM 492 H103 PC3 A 20 0.862 11.067 0.839 1.00 0.00 H HETATM 493 H111 PC3 A 20 4.172 3.249 -3.012 1.00 0.00 H HETATM 494 H112 PC3 A 20 4.355 2.415 -1.450 1.00 0.00 H HETATM 495 H113 PC3 A 20 4.418 4.196 -1.522 1.00 0.00 H HETATM 496 H121 PC3 A 20 -6.144 1.367 -0.796 1.00 0.00 H HETATM 497 H122 PC3 A 20 -6.812 2.945 -1.118 1.00 0.00 H HETATM 498 H221 PC3 A 20 -7.046 1.799 1.300 1.00 0.00 H HETATM 499 H222 PC3 A 20 -6.833 3.523 1.185 1.00 0.00 H HETATM 500 H141 PC3 A 20 -3.055 10.158 2.657 1.00 0.00 H HETATM 501 H142 PC3 A 20 -4.727 9.687 2.827 1.00 0.00 H HETATM 502 H151 PC3 A 20 -5.214 10.724 0.504 1.00 0.00 H HETATM 503 H152 PC3 A 20 -3.562 11.346 0.481 1.00 0.00 H HETATM 504 H161 PC3 A 20 4.019 9.426 0.216 1.00 0.00 H HETATM 505 H162 PC3 A 20 4.291 8.142 -0.915 1.00 0.00 H HETATM 506 H171 PC3 A 20 4.954 6.585 0.762 1.00 0.00 H HETATM 507 H172 PC3 A 20 3.984 7.321 2.027 1.00 0.00 H HETATM 508 H181 PC3 A 20 2.665 0.737 -2.768 1.00 0.00 H HETATM 509 H182 PC3 A 20 0.957 0.318 -2.678 1.00 0.00 H HETATM 510 H192 PC3 A 20 2.380 1.039 -5.048 1.00 0.00 H HETATM 511 H191 PC3 A 20 0.642 0.923 -4.910 1.00 0.00 H