HETATM 1 C ACE A 0 -6.040 -5.138 1.270 1.00 0.00 C HETATM 2 O ACE A 0 -6.562 -5.555 2.296 1.00 0.00 O HETATM 3 CH3 ACE A 0 -5.690 -6.123 0.160 1.00 0.00 C HETATM 4 H1 ACE A 0 -4.616 -6.076 -0.090 1.00 0.00 H HETATM 5 H2 ACE A 0 -5.914 -7.157 0.476 1.00 0.00 H HETATM 6 H3 ACE A 0 -6.276 -5.915 -0.750 1.00 0.00 H ATOM 7 N CYS A 1 -5.794 -3.834 1.198 1.00 0.00 N ATOM 8 CA CYS A 1 -5.100 -3.162 0.036 1.00 0.00 C ATOM 9 C CYS A 1 -3.527 -3.132 0.042 1.00 0.00 C ATOM 10 O CYS A 1 -2.965 -2.764 -0.996 1.00 0.00 O ATOM 11 CB CYS A 1 -5.695 -1.731 -0.034 1.00 0.00 C ATOM 12 SG CYS A 1 -7.316 -1.735 -0.824 1.00 0.00 S ATOM 13 H CYS A 1 -6.029 -3.373 2.102 1.00 0.00 H ATOM 14 HA CYS A 1 -5.331 -3.649 -0.956 1.00 0.00 H ATOM 15 HB2 CYS A 1 -5.757 -1.220 0.948 1.00 0.00 H ATOM 16 HB3 CYS A 1 -5.066 -1.061 -0.652 1.00 0.00 H ATOM 17 N GLY A 2 -2.785 -3.521 1.106 1.00 0.00 N ATOM 18 CA GLY A 2 -1.330 -3.277 1.161 1.00 0.00 C ATOM 19 C GLY A 2 -0.802 -3.023 2.584 1.00 0.00 C ATOM 20 O GLY A 2 -0.849 -1.888 3.050 1.00 0.00 O ATOM 21 H GLY A 2 -3.269 -3.907 1.923 1.00 0.00 H ATOM 22 HA2 GLY A 2 -0.792 -4.100 0.660 1.00 0.00 H ATOM 23 HA3 GLY A 2 -1.079 -2.376 0.563 1.00 0.00 H ATOM 24 N ALA A 3 -0.270 -4.033 3.293 1.00 0.00 N ATOM 25 CA ALA A 3 0.479 -3.780 4.559 1.00 0.00 C ATOM 26 C ALA A 3 1.880 -3.108 4.366 1.00 0.00 C ATOM 27 O ALA A 3 2.289 -2.317 5.214 1.00 0.00 O ATOM 28 CB ALA A 3 0.532 -5.097 5.313 1.00 0.00 C ATOM 29 H ALA A 3 -0.410 -4.987 2.955 1.00 0.00 H ATOM 30 HA ALA A 3 -0.106 -3.070 5.184 1.00 0.00 H ATOM 31 HB1 ALA A 3 1.108 -5.852 4.751 1.00 0.00 H ATOM 32 HB2 ALA A 3 -0.489 -5.477 5.501 1.00 0.00 H ATOM 33 HB3 ALA A 3 1.019 -4.937 6.290 1.00 0.00 H ATOM 34 N GLU A 4 2.614 -3.402 3.277 1.00 0.00 N ATOM 35 CA GLU A 4 3.785 -2.575 2.860 1.00 0.00 C ATOM 36 C GLU A 4 3.387 -1.092 2.479 1.00 0.00 C ATOM 37 O GLU A 4 4.081 -0.141 2.845 1.00 0.00 O ATOM 38 CB GLU A 4 4.517 -3.285 1.723 1.00 0.00 C ATOM 39 CG GLU A 4 5.456 -4.466 2.113 1.00 0.00 C ATOM 40 CD GLU A 4 6.634 -4.106 3.003 1.00 0.00 C ATOM 41 OE1 GLU A 4 7.508 -3.322 2.589 1.00 0.00 O ATOM 42 OE2 GLU A 4 6.695 -4.576 4.156 1.00 0.00 O ATOM 43 H GLU A 4 2.323 -4.234 2.754 1.00 0.00 H ATOM 44 HA GLU A 4 4.512 -2.526 3.673 1.00 0.00 H ATOM 45 HB2 GLU A 4 3.752 -3.589 0.990 1.00 0.00 H ATOM 46 HB3 GLU A 4 5.133 -2.508 1.243 1.00 0.00 H ATOM 47 HG2 GLU A 4 4.893 -5.272 2.612 1.00 0.00 H ATOM 48 HG3 GLU A 4 5.888 -4.922 1.206 1.00 0.00 H ATOM 49 N ALA A 5 2.255 -0.896 1.764 1.00 0.00 N ATOM 50 CA ALA A 5 1.623 0.449 1.600 1.00 0.00 C ATOM 51 C ALA A 5 1.281 1.129 2.964 1.00 0.00 C ATOM 52 O ALA A 5 1.683 2.272 3.129 1.00 0.00 O ATOM 53 CB ALA A 5 0.328 0.260 0.798 1.00 0.00 C ATOM 54 H ALA A 5 1.768 -1.793 1.617 1.00 0.00 H ATOM 55 HA ALA A 5 2.283 1.167 1.036 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.148 1.228 0.588 1.00 0.00 H ATOM 57 HB2 ALA A 5 -0.427 -0.301 1.377 1.00 0.00 H ATOM 58 HB3 ALA A 5 0.492 -0.281 -0.146 1.00 0.00 H ATOM 59 N ALA A 6 0.589 0.473 3.918 1.00 0.00 N ATOM 60 CA ALA A 6 0.430 0.978 5.314 1.00 0.00 C ATOM 61 C ALA A 6 1.755 1.282 6.111 1.00 0.00 C ATOM 62 O ALA A 6 1.831 2.306 6.795 1.00 0.00 O ATOM 63 CB ALA A 6 -0.292 -0.161 6.016 1.00 0.00 C ATOM 64 H ALA A 6 0.282 -0.488 3.666 1.00 0.00 H ATOM 65 HA ALA A 6 -0.260 1.869 5.333 1.00 0.00 H ATOM 66 HB1 ALA A 6 -0.524 0.133 7.051 1.00 0.00 H ATOM 67 HB2 ALA A 6 0.363 -1.050 6.074 1.00 0.00 H ATOM 68 HB3 ALA A 6 -1.221 -0.440 5.492 1.00 0.00 H ATOM 69 N LYS A 7 2.785 0.405 6.015 1.00 0.00 N ATOM 70 CA LYS A 7 4.163 0.682 6.525 1.00 0.00 C ATOM 71 C LYS A 7 4.812 1.965 5.894 1.00 0.00 C ATOM 72 O LYS A 7 5.340 2.796 6.634 1.00 0.00 O ATOM 73 CB LYS A 7 4.883 -0.675 6.297 1.00 0.00 C ATOM 74 CG LYS A 7 6.349 -0.847 6.748 1.00 0.00 C ATOM 75 CD LYS A 7 6.704 -2.359 6.782 1.00 0.00 C ATOM 76 CE LYS A 7 8.190 -2.717 6.598 1.00 0.00 C ATOM 77 NZ LYS A 7 8.508 -2.723 5.142 1.00 0.00 N ATOM 78 H LYS A 7 2.595 -0.464 5.467 1.00 0.00 H ATOM 79 HA LYS A 7 4.099 0.888 7.618 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.276 -1.463 6.790 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.839 -0.924 5.219 1.00 0.00 H ATOM 82 HG2 LYS A 7 7.003 -0.281 6.056 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.508 -0.391 7.746 1.00 0.00 H ATOM 84 HD2 LYS A 7 6.349 -2.767 7.750 1.00 0.00 H ATOM 85 HD3 LYS A 7 6.095 -2.930 6.043 1.00 0.00 H ATOM 86 HE2 LYS A 7 8.847 -2.031 7.178 1.00 0.00 H ATOM 87 HE3 LYS A 7 8.368 -3.732 7.023 1.00 0.00 H ATOM 88 HZ1 LYS A 7 7.883 -3.390 4.613 1.00 0.00 H ATOM 89 HZ2 LYS A 7 9.443 -3.025 4.852 1.00 0.00 H ATOM 90 HZ3 LYS A 7 8.283 -1.863 4.627 1.00 0.00 H ATOM 91 N ALA A 8 4.730 2.157 4.563 1.00 0.00 N ATOM 92 CA ALA A 8 5.030 3.454 3.902 1.00 0.00 C ATOM 93 C ALA A 8 4.126 4.657 4.355 1.00 0.00 C ATOM 94 O ALA A 8 4.633 5.755 4.550 1.00 0.00 O ATOM 95 CB ALA A 8 4.817 3.246 2.414 1.00 0.00 C ATOM 96 H ALA A 8 4.432 1.328 4.032 1.00 0.00 H ATOM 97 HA ALA A 8 6.105 3.699 3.987 1.00 0.00 H ATOM 98 HB1 ALA A 8 3.760 3.022 2.201 1.00 0.00 H ATOM 99 HB2 ALA A 8 5.449 2.423 2.049 1.00 0.00 H ATOM 100 HB3 ALA A 8 5.087 4.180 1.889 1.00 0.00 H ATOM 101 N HIS A 9 2.796 4.469 4.514 1.00 0.00 N ATOM 102 CA HIS A 9 1.882 5.474 5.139 1.00 0.00 C ATOM 103 C HIS A 9 2.323 5.963 6.578 1.00 0.00 C ATOM 104 O HIS A 9 2.511 7.174 6.744 1.00 0.00 O ATOM 105 CB HIS A 9 0.455 4.875 4.960 1.00 0.00 C ATOM 106 CG HIS A 9 -0.133 4.548 3.559 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.039 3.490 3.376 1.00 0.00 N ATOM 108 CD2 HIS A 9 0.173 5.118 2.332 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.332 3.555 2.003 1.00 0.00 C ATOM 110 NE2 HIS A 9 -0.655 4.573 1.419 1.00 0.00 N ATOM 111 H HIS A 9 2.464 3.505 4.286 1.00 0.00 H ATOM 112 HA HIS A 9 1.942 6.422 4.579 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.445 3.942 5.549 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.252 5.538 5.472 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.591 2.970 4.073 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.926 5.862 2.108 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.012 2.839 1.535 1.00 0.00 H ATOM 118 N ALA A 10 2.546 5.073 7.571 1.00 0.00 N ATOM 119 CA ALA A 10 3.257 5.410 8.832 1.00 0.00 C ATOM 120 C ALA A 10 4.675 6.081 8.686 1.00 0.00 C ATOM 121 O ALA A 10 4.933 7.123 9.297 1.00 0.00 O ATOM 122 CB ALA A 10 3.346 4.030 9.529 1.00 0.00 C ATOM 123 H ALA A 10 1.907 4.273 7.656 1.00 0.00 H ATOM 124 HA ALA A 10 2.637 6.094 9.437 1.00 0.00 H ATOM 125 HB1 ALA A 10 3.856 4.102 10.505 1.00 0.00 H ATOM 126 HB2 ALA A 10 2.357 3.568 9.706 1.00 0.00 H ATOM 127 HB3 ALA A 10 3.932 3.302 8.929 1.00 0.00 H ATOM 128 N LYS A 11 5.562 5.508 7.842 1.00 0.00 N ATOM 129 CA LYS A 11 6.907 6.112 7.545 1.00 0.00 C ATOM 130 C LYS A 11 6.851 7.581 6.995 1.00 0.00 C ATOM 131 O LYS A 11 7.596 8.455 7.450 1.00 0.00 O ATOM 132 CB LYS A 11 7.698 5.120 6.636 1.00 0.00 C ATOM 133 CG LYS A 11 9.245 5.109 6.758 1.00 0.00 C ATOM 134 CD LYS A 11 10.063 5.924 5.722 1.00 0.00 C ATOM 135 CE LYS A 11 10.095 7.462 5.843 1.00 0.00 C ATOM 136 NZ LYS A 11 10.556 7.896 7.196 1.00 0.00 N ATOM 137 H LYS A 11 5.090 4.822 7.223 1.00 0.00 H ATOM 138 HA LYS A 11 7.441 6.182 8.514 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.391 4.091 6.903 1.00 0.00 H ATOM 140 HB3 LYS A 11 7.374 5.223 5.582 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.551 5.351 7.795 1.00 0.00 H ATOM 142 HG3 LYS A 11 9.569 4.055 6.650 1.00 0.00 H ATOM 143 HD2 LYS A 11 11.107 5.554 5.745 1.00 0.00 H ATOM 144 HD3 LYS A 11 9.709 5.659 4.705 1.00 0.00 H ATOM 145 HE2 LYS A 11 10.742 7.890 5.045 1.00 0.00 H ATOM 146 HE3 LYS A 11 9.094 7.880 5.596 1.00 0.00 H ATOM 147 HZ1 LYS A 11 11.514 7.664 7.474 1.00 0.00 H ATOM 148 HZ2 LYS A 11 10.017 7.482 7.995 1.00 0.00 H ATOM 149 HZ3 LYS A 11 10.426 8.888 7.437 1.00 0.00 H ATOM 150 N ALA A 12 5.948 7.851 6.037 1.00 0.00 N ATOM 151 CA ALA A 12 5.589 9.216 5.594 1.00 0.00 C ATOM 152 C ALA A 12 5.089 10.104 6.783 1.00 0.00 C ATOM 153 O ALA A 12 5.805 10.984 7.226 1.00 0.00 O ATOM 154 CB ALA A 12 4.576 9.043 4.447 1.00 0.00 C ATOM 155 H ALA A 12 5.473 7.024 5.657 1.00 0.00 H ATOM 156 HA ALA A 12 6.501 9.673 5.173 1.00 0.00 H ATOM 157 HB1 ALA A 12 4.955 8.327 3.696 1.00 0.00 H ATOM 158 HB2 ALA A 12 4.410 9.992 3.908 1.00 0.00 H ATOM 159 HB3 ALA A 12 3.600 8.660 4.791 1.00 0.00 H ATOM 160 N ALA A 13 3.917 9.859 7.361 1.00 0.00 N ATOM 161 CA ALA A 13 3.458 10.466 8.662 1.00 0.00 C ATOM 162 C ALA A 13 4.518 10.774 9.809 1.00 0.00 C ATOM 163 O ALA A 13 4.356 11.712 10.591 1.00 0.00 O ATOM 164 CB ALA A 13 2.334 9.515 9.096 1.00 0.00 C ATOM 165 H ALA A 13 3.444 9.144 6.817 1.00 0.00 H ATOM 166 HA ALA A 13 2.991 11.443 8.446 1.00 0.00 H ATOM 167 HB1 ALA A 13 1.838 9.877 10.010 1.00 0.00 H ATOM 168 HB2 ALA A 13 1.557 9.407 8.314 1.00 0.00 H ATOM 169 HB3 ALA A 13 2.729 8.503 9.305 1.00 0.00 H ATOM 170 N GLU A 14 5.579 9.960 9.859 1.00 0.00 N ATOM 171 CA GLU A 14 6.834 10.201 10.639 1.00 0.00 C ATOM 172 C GLU A 14 7.769 11.298 9.972 1.00 0.00 C ATOM 173 O GLU A 14 7.828 12.419 10.484 1.00 0.00 O ATOM 174 CB GLU A 14 7.443 8.778 10.892 1.00 0.00 C ATOM 175 CG GLU A 14 8.936 8.634 11.331 1.00 0.00 C ATOM 176 CD GLU A 14 9.895 8.129 10.259 1.00 0.00 C ATOM 177 OE1 GLU A 14 9.633 7.067 9.652 1.00 0.00 O ATOM 178 OE2 GLU A 14 10.886 8.810 9.938 1.00 0.00 O ATOM 179 H GLU A 14 5.489 9.301 9.071 1.00 0.00 H ATOM 180 HA GLU A 14 6.564 10.609 11.632 1.00 0.00 H ATOM 181 HB2 GLU A 14 6.812 8.294 11.662 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.283 8.127 10.010 1.00 0.00 H ATOM 183 HG2 GLU A 14 9.335 9.580 11.739 1.00 0.00 H ATOM 184 HG3 GLU A 14 9.016 7.908 12.156 1.00 0.00 H ATOM 185 N ALA A 15 8.487 11.016 8.859 1.00 0.00 N ATOM 186 CA ALA A 15 9.325 12.041 8.133 1.00 0.00 C ATOM 187 C ALA A 15 8.708 12.736 6.859 1.00 0.00 C ATOM 188 O ALA A 15 8.966 13.916 6.611 1.00 0.00 O ATOM 189 CB ALA A 15 10.683 11.398 7.805 1.00 0.00 C ATOM 190 H ALA A 15 8.456 10.008 8.653 1.00 0.00 H ATOM 191 HA ALA A 15 9.543 12.877 8.828 1.00 0.00 H ATOM 192 HB1 ALA A 15 11.395 12.160 7.438 1.00 0.00 H ATOM 193 HB2 ALA A 15 11.145 10.937 8.698 1.00 0.00 H ATOM 194 HB3 ALA A 15 10.592 10.637 7.013 1.00 0.00 H ATOM 195 N GLY A 16 7.985 11.985 6.011 1.00 0.00 N ATOM 196 CA GLY A 16 7.118 12.534 4.925 1.00 0.00 C ATOM 197 C GLY A 16 5.899 13.339 5.444 1.00 0.00 C ATOM 198 O GLY A 16 6.030 14.405 6.047 1.00 0.00 O ATOM 199 H GLY A 16 7.639 11.172 6.533 1.00 0.00 H ATOM 200 HA2 GLY A 16 7.670 13.124 4.200 1.00 0.00 H ATOM 201 HA3 GLY A 16 6.727 11.650 4.370 1.00 0.00 H ATOM 202 N CYS A 17 4.702 12.816 5.158 1.00 0.00 N ATOM 203 CA CYS A 17 3.447 13.246 5.818 1.00 0.00 C ATOM 204 C CYS A 17 3.076 14.747 5.871 1.00 0.00 C ATOM 205 O CYS A 17 2.189 15.193 6.603 1.00 0.00 O ATOM 206 CB CYS A 17 2.470 12.655 4.756 1.00 0.00 C ATOM 207 SG CYS A 17 2.833 13.131 3.034 1.00 0.00 S ATOM 208 H CYS A 17 4.775 11.973 4.579 1.00 0.00 H ATOM 209 HA CYS A 17 3.475 12.790 6.846 1.00 0.00 H ATOM 210 HB2 CYS A 17 2.455 11.550 4.813 1.00 0.00 H ATOM 211 HB3 CYS A 17 1.419 12.935 4.979 1.00 0.00 H HETATM 212 N NH2 A 18 3.821 15.499 5.089 1.00 0.00 N HETATM 213 HN1 NH2 A 18 4.545 15.069 4.502 1.00 0.00 H HETATM 214 HN2 NH2 A 18 3.678 16.515 5.066 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -9.543 -0.464 -4.954 1.00 0.00 C HETATM 217 O ACE B 0 -9.590 0.758 -4.845 1.00 0.00 O HETATM 218 CH3 ACE B 0 -10.768 -1.256 -5.354 1.00 0.00 C HETATM 219 H1 ACE B 0 -11.030 -2.007 -4.587 1.00 0.00 H HETATM 220 H2 ACE B 0 -10.624 -1.767 -6.321 1.00 0.00 H HETATM 221 H3 ACE B 0 -11.637 -0.581 -5.461 1.00 0.00 H ATOM 222 N CYS B 1 -8.441 -1.183 -4.771 1.00 0.00 N ATOM 223 CA CYS B 1 -7.152 -0.567 -4.290 1.00 0.00 C ATOM 224 C CYS B 1 -6.321 0.309 -5.314 1.00 0.00 C ATOM 225 O CYS B 1 -5.333 0.909 -4.890 1.00 0.00 O ATOM 226 CB CYS B 1 -6.321 -1.773 -3.788 1.00 0.00 C ATOM 227 SG CYS B 1 -7.190 -2.754 -2.542 1.00 0.00 S ATOM 228 H CYS B 1 -8.563 -2.174 -5.036 1.00 0.00 H ATOM 229 HA CYS B 1 -7.312 0.110 -3.399 1.00 0.00 H ATOM 230 HB2 CYS B 1 -6.009 -2.440 -4.613 1.00 0.00 H ATOM 231 HB3 CYS B 1 -5.375 -1.425 -3.323 1.00 0.00 H ATOM 232 N GLY B 2 -6.666 0.393 -6.626 1.00 0.00 N ATOM 233 CA GLY B 2 -5.907 1.227 -7.609 1.00 0.00 C ATOM 234 C GLY B 2 -6.402 2.669 -7.871 1.00 0.00 C ATOM 235 O GLY B 2 -5.580 3.578 -7.942 1.00 0.00 O ATOM 236 H GLY B 2 -7.562 -0.044 -6.873 1.00 0.00 H ATOM 237 HA2 GLY B 2 -4.838 1.291 -7.322 1.00 0.00 H ATOM 238 HA3 GLY B 2 -5.886 0.708 -8.583 1.00 0.00 H ATOM 239 N ALA B 3 -7.709 2.897 -8.077 1.00 0.00 N ATOM 240 CA ALA B 3 -8.265 4.263 -8.271 1.00 0.00 C ATOM 241 C ALA B 3 -8.445 5.131 -6.987 1.00 0.00 C ATOM 242 O ALA B 3 -8.074 6.304 -7.046 1.00 0.00 O ATOM 243 CB ALA B 3 -9.570 4.065 -9.038 1.00 0.00 C ATOM 244 H ALA B 3 -8.332 2.094 -7.968 1.00 0.00 H ATOM 245 HA ALA B 3 -7.572 4.845 -8.925 1.00 0.00 H ATOM 246 HB1 ALA B 3 -9.398 3.534 -9.991 1.00 0.00 H ATOM 247 HB2 ALA B 3 -10.017 5.047 -9.273 1.00 0.00 H ATOM 248 HB3 ALA B 3 -10.303 3.496 -8.437 1.00 0.00 H ATOM 249 N GLU B 4 -8.956 4.615 -5.844 1.00 0.00 N ATOM 250 CA GLU B 4 -8.883 5.364 -4.546 1.00 0.00 C ATOM 251 C GLU B 4 -7.423 5.627 -4.039 1.00 0.00 C ATOM 252 O GLU B 4 -7.139 6.679 -3.459 1.00 0.00 O ATOM 253 CB GLU B 4 -9.867 4.777 -3.512 1.00 0.00 C ATOM 254 CG GLU B 4 -11.326 5.332 -3.618 1.00 0.00 C ATOM 255 CD GLU B 4 -11.512 6.851 -3.546 1.00 0.00 C ATOM 256 OE1 GLU B 4 -11.482 7.420 -2.436 1.00 0.00 O ATOM 257 OE2 GLU B 4 -11.666 7.485 -4.611 1.00 0.00 O ATOM 258 H GLU B 4 -9.451 3.720 -5.909 1.00 0.00 H ATOM 259 HA GLU B 4 -9.230 6.381 -4.754 1.00 0.00 H ATOM 260 HB2 GLU B 4 -9.853 3.670 -3.572 1.00 0.00 H ATOM 261 HB3 GLU B 4 -9.486 5.010 -2.501 1.00 0.00 H ATOM 262 HG2 GLU B 4 -11.793 5.004 -4.562 1.00 0.00 H ATOM 263 HG3 GLU B 4 -11.953 4.909 -2.816 1.00 0.00 H ATOM 264 N ALA B 5 -6.470 4.712 -4.303 1.00 0.00 N ATOM 265 CA ALA B 5 -5.018 5.044 -4.203 1.00 0.00 C ATOM 266 C ALA B 5 -4.637 6.208 -5.165 1.00 0.00 C ATOM 267 O ALA B 5 -4.045 7.172 -4.693 1.00 0.00 O ATOM 268 CB ALA B 5 -4.196 3.844 -4.679 1.00 0.00 C ATOM 269 H ALA B 5 -6.877 3.918 -4.823 1.00 0.00 H ATOM 270 HA ALA B 5 -4.707 5.358 -3.172 1.00 0.00 H ATOM 271 HB1 ALA B 5 -4.515 3.538 -5.695 1.00 0.00 H ATOM 272 HB2 ALA B 5 -3.129 4.105 -4.802 1.00 0.00 H ATOM 273 HB3 ALA B 5 -4.298 2.984 -4.014 1.00 0.00 H ATOM 274 N ALA B 6 -4.962 6.139 -6.475 1.00 0.00 N ATOM 275 CA ALA B 6 -4.579 7.185 -7.432 1.00 0.00 C ATOM 276 C ALA B 6 -5.125 8.634 -7.077 1.00 0.00 C ATOM 277 O ALA B 6 -4.378 9.611 -7.019 1.00 0.00 O ATOM 278 CB ALA B 6 -5.134 6.727 -8.773 1.00 0.00 C ATOM 279 H ALA B 6 -5.537 5.338 -6.788 1.00 0.00 H ATOM 280 HA ALA B 6 -3.473 7.069 -7.470 1.00 0.00 H ATOM 281 HB1 ALA B 6 -6.239 6.696 -8.744 1.00 0.00 H ATOM 282 HB2 ALA B 6 -4.758 5.725 -9.036 1.00 0.00 H ATOM 283 HB3 ALA B 6 -4.838 7.442 -9.556 1.00 0.00 H ATOM 284 N LYS B 7 -6.446 8.707 -6.797 1.00 0.00 N ATOM 285 CA LYS B 7 -7.174 9.867 -6.203 1.00 0.00 C ATOM 286 C LYS B 7 -6.561 10.403 -4.858 1.00 0.00 C ATOM 287 O LYS B 7 -6.385 11.617 -4.716 1.00 0.00 O ATOM 288 CB LYS B 7 -8.646 9.355 -6.099 1.00 0.00 C ATOM 289 CG LYS B 7 -9.740 10.356 -5.664 1.00 0.00 C ATOM 290 CD LYS B 7 -9.911 10.451 -4.124 1.00 0.00 C ATOM 291 CE LYS B 7 -10.194 11.860 -3.579 1.00 0.00 C ATOM 292 NZ LYS B 7 -8.954 12.676 -3.703 1.00 0.00 N ATOM 293 H LYS B 7 -6.925 7.811 -6.965 1.00 0.00 H ATOM 294 HA LYS B 7 -7.145 10.708 -6.928 1.00 0.00 H ATOM 295 HB2 LYS B 7 -8.957 8.955 -7.085 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.693 8.464 -5.437 1.00 0.00 H ATOM 297 HG2 LYS B 7 -9.574 11.335 -6.151 1.00 0.00 H ATOM 298 HG3 LYS B 7 -10.710 10.005 -6.078 1.00 0.00 H ATOM 299 HD2 LYS B 7 -10.744 9.772 -3.835 1.00 0.00 H ATOM 300 HD3 LYS B 7 -9.059 9.989 -3.582 1.00 0.00 H ATOM 301 HE2 LYS B 7 -11.064 12.310 -4.109 1.00 0.00 H ATOM 302 HE3 LYS B 7 -10.517 11.766 -2.515 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -8.629 12.760 -4.676 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -9.001 13.626 -3.321 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -8.145 12.209 -3.259 1.00 0.00 H ATOM 306 N ALA B 8 -6.249 9.539 -3.868 1.00 0.00 N ATOM 307 CA ALA B 8 -5.414 9.921 -2.692 1.00 0.00 C ATOM 308 C ALA B 8 -3.992 10.496 -3.046 1.00 0.00 C ATOM 309 O ALA B 8 -3.487 11.418 -2.417 1.00 0.00 O ATOM 310 CB ALA B 8 -5.161 8.654 -1.886 1.00 0.00 C ATOM 311 H ALA B 8 -6.555 8.566 -4.011 1.00 0.00 H ATOM 312 HA ALA B 8 -5.982 10.577 -1.999 1.00 0.00 H ATOM 313 HB1 ALA B 8 -4.559 7.929 -2.458 1.00 0.00 H ATOM 314 HB2 ALA B 8 -6.106 8.186 -1.579 1.00 0.00 H ATOM 315 HB3 ALA B 8 -4.593 8.944 -0.984 1.00 0.00 H ATOM 316 N HIS B 9 -3.309 9.900 -4.041 1.00 0.00 N ATOM 317 CA HIS B 9 -1.938 10.319 -4.462 1.00 0.00 C ATOM 318 C HIS B 9 -1.927 11.760 -5.114 1.00 0.00 C ATOM 319 O HIS B 9 -1.078 12.593 -4.780 1.00 0.00 O ATOM 320 CB HIS B 9 -1.401 9.068 -5.207 1.00 0.00 C ATOM 321 CG HIS B 9 -1.192 7.773 -4.369 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.041 6.536 -5.000 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.319 7.604 -2.981 1.00 0.00 C ATOM 324 CE1 HIS B 9 -0.998 5.650 -3.908 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.112 6.296 -2.718 1.00 0.00 N ATOM 326 H HIS B 9 -3.884 9.281 -4.654 1.00 0.00 H ATOM 327 HA HIS B 9 -1.291 10.427 -3.571 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.094 8.839 -6.042 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.453 9.338 -5.691 1.00 0.00 H ATOM 330 HD1 HIS B 9 -0.837 6.318 -5.984 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.548 8.388 -2.257 1.00 0.00 H ATOM 332 HE1 HIS B 9 -0.891 4.581 -4.075 1.00 0.00 H ATOM 333 N ALA B 10 -2.930 12.060 -5.961 1.00 0.00 N ATOM 334 CA ALA B 10 -3.280 13.437 -6.383 1.00 0.00 C ATOM 335 C ALA B 10 -3.716 14.382 -5.198 1.00 0.00 C ATOM 336 O ALA B 10 -3.212 15.499 -5.115 1.00 0.00 O ATOM 337 CB ALA B 10 -4.439 13.219 -7.380 1.00 0.00 C ATOM 338 H ALA B 10 -3.213 11.279 -6.556 1.00 0.00 H ATOM 339 HA ALA B 10 -2.421 13.913 -6.891 1.00 0.00 H ATOM 340 HB1 ALA B 10 -5.304 12.720 -6.898 1.00 0.00 H ATOM 341 HB2 ALA B 10 -4.143 12.594 -8.242 1.00 0.00 H ATOM 342 HB3 ALA B 10 -4.811 14.181 -7.773 1.00 0.00 H ATOM 343 N LYS B 11 -4.595 13.943 -4.261 1.00 0.00 N ATOM 344 CA LYS B 11 -4.864 14.709 -2.984 1.00 0.00 C ATOM 345 C LYS B 11 -3.589 15.214 -2.224 1.00 0.00 C ATOM 346 O LYS B 11 -3.453 16.422 -1.964 1.00 0.00 O ATOM 347 CB LYS B 11 -5.863 13.926 -2.091 1.00 0.00 C ATOM 348 CG LYS B 11 -6.311 14.511 -0.717 1.00 0.00 C ATOM 349 CD LYS B 11 -6.476 16.043 -0.539 1.00 0.00 C ATOM 350 CE LYS B 11 -7.413 16.782 -1.519 1.00 0.00 C ATOM 351 NZ LYS B 11 -7.116 18.241 -1.462 1.00 0.00 N ATOM 352 H LYS B 11 -4.692 12.919 -4.367 1.00 0.00 H ATOM 353 HA LYS B 11 -5.397 15.621 -3.282 1.00 0.00 H ATOM 354 HB2 LYS B 11 -6.752 13.725 -2.697 1.00 0.00 H ATOM 355 HB3 LYS B 11 -5.427 12.928 -1.884 1.00 0.00 H ATOM 356 HG2 LYS B 11 -7.216 13.980 -0.365 1.00 0.00 H ATOM 357 HG3 LYS B 11 -5.543 14.181 0.021 1.00 0.00 H ATOM 358 HD2 LYS B 11 -6.798 16.239 0.504 1.00 0.00 H ATOM 359 HD3 LYS B 11 -5.458 16.479 -0.570 1.00 0.00 H ATOM 360 HE2 LYS B 11 -7.263 16.432 -2.564 1.00 0.00 H ATOM 361 HE3 LYS B 11 -8.481 16.572 -1.299 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -7.566 18.788 -0.723 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -7.337 18.745 -2.363 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -6.108 18.439 -1.415 1.00 0.00 H ATOM 365 N ALA B 12 -2.650 14.285 -1.980 1.00 0.00 N ATOM 366 CA ALA B 12 -1.279 14.585 -1.527 1.00 0.00 C ATOM 367 C ALA B 12 -0.593 15.697 -2.390 1.00 0.00 C ATOM 368 O ALA B 12 -0.617 16.869 -2.007 1.00 0.00 O ATOM 369 CB ALA B 12 -0.544 13.227 -1.443 1.00 0.00 C ATOM 370 H ALA B 12 -3.048 13.342 -1.863 1.00 0.00 H ATOM 371 HA ALA B 12 -1.367 14.969 -0.510 1.00 0.00 H ATOM 372 HB1 ALA B 12 -0.584 12.667 -2.392 1.00 0.00 H ATOM 373 HB2 ALA B 12 -0.993 12.579 -0.667 1.00 0.00 H ATOM 374 HB3 ALA B 12 0.522 13.354 -1.190 1.00 0.00 H ATOM 375 N ALA B 13 -0.119 15.377 -3.596 1.00 0.00 N ATOM 376 CA ALA B 13 0.319 16.370 -4.614 1.00 0.00 C ATOM 377 C ALA B 13 -0.583 17.619 -4.961 1.00 0.00 C ATOM 378 O ALA B 13 -0.108 18.495 -5.690 1.00 0.00 O ATOM 379 CB ALA B 13 0.540 15.487 -5.859 1.00 0.00 C ATOM 380 H ALA B 13 -0.282 14.397 -3.827 1.00 0.00 H ATOM 381 HA ALA B 13 1.295 16.784 -4.297 1.00 0.00 H ATOM 382 HB1 ALA B 13 0.939 16.077 -6.703 1.00 0.00 H ATOM 383 HB2 ALA B 13 -0.410 15.036 -6.207 1.00 0.00 H ATOM 384 HB3 ALA B 13 1.250 14.658 -5.678 1.00 0.00 H ATOM 385 N GLU B 14 -1.821 17.737 -4.440 1.00 0.00 N ATOM 386 CA GLU B 14 -2.676 18.957 -4.629 1.00 0.00 C ATOM 387 C GLU B 14 -2.391 19.953 -3.464 1.00 0.00 C ATOM 388 O GLU B 14 -1.872 21.048 -3.687 1.00 0.00 O ATOM 389 CB GLU B 14 -4.155 18.503 -4.806 1.00 0.00 C ATOM 390 CG GLU B 14 -5.281 19.581 -4.916 1.00 0.00 C ATOM 391 CD GLU B 14 -6.652 19.164 -4.390 1.00 0.00 C ATOM 392 OE1 GLU B 14 -7.076 18.002 -4.576 1.00 0.00 O ATOM 393 OE2 GLU B 14 -7.244 19.927 -3.602 1.00 0.00 O ATOM 394 H GLU B 14 -2.049 16.976 -3.739 1.00 0.00 H ATOM 395 HA GLU B 14 -2.397 19.479 -5.565 1.00 0.00 H ATOM 396 HB2 GLU B 14 -4.202 17.877 -5.718 1.00 0.00 H ATOM 397 HB3 GLU B 14 -4.394 17.821 -3.976 1.00 0.00 H ATOM 398 HG2 GLU B 14 -4.999 20.501 -4.373 1.00 0.00 H ATOM 399 HG3 GLU B 14 -5.410 19.903 -5.963 1.00 0.00 H ATOM 400 N ALA B 15 -2.704 19.563 -2.218 1.00 0.00 N ATOM 401 CA ALA B 15 -2.256 20.311 -1.019 1.00 0.00 C ATOM 402 C ALA B 15 -1.026 19.633 -0.333 1.00 0.00 C ATOM 403 O ALA B 15 -1.053 19.436 0.882 1.00 0.00 O ATOM 404 CB ALA B 15 -3.501 20.264 -0.143 1.00 0.00 C ATOM 405 H ALA B 15 -3.044 18.589 -2.162 1.00 0.00 H ATOM 406 HA ALA B 15 -2.026 21.375 -1.239 1.00 0.00 H ATOM 407 HB1 ALA B 15 -3.738 19.214 0.122 1.00 0.00 H ATOM 408 HB2 ALA B 15 -4.357 20.733 -0.654 1.00 0.00 H ATOM 409 HB3 ALA B 15 -3.290 20.809 0.791 1.00 0.00 H ATOM 410 N GLY B 16 0.103 19.478 -1.053 1.00 0.00 N ATOM 411 CA GLY B 16 1.261 18.553 -0.690 1.00 0.00 C ATOM 412 C GLY B 16 1.280 17.877 0.710 1.00 0.00 C ATOM 413 O GLY B 16 1.945 18.205 1.690 1.00 0.00 O ATOM 414 H GLY B 16 -0.445 19.163 -1.876 1.00 0.00 H ATOM 415 HA2 GLY B 16 1.429 17.800 -1.494 1.00 0.00 H ATOM 416 HA3 GLY B 16 2.195 19.126 -0.771 1.00 0.00 H ATOM 417 N CYS B 17 0.378 16.900 0.615 1.00 0.00 N ATOM 418 CA CYS B 17 -0.260 16.090 1.691 1.00 0.00 C ATOM 419 C CYS B 17 -0.515 16.724 3.116 1.00 0.00 C ATOM 420 O CYS B 17 -0.202 16.177 4.171 1.00 0.00 O ATOM 421 CB CYS B 17 0.487 14.740 1.792 1.00 0.00 C ATOM 422 SG CYS B 17 2.093 14.936 2.590 1.00 0.00 S ATOM 423 H CYS B 17 0.095 16.885 -0.384 1.00 0.00 H ATOM 424 HA CYS B 17 -1.292 15.911 1.250 1.00 0.00 H ATOM 425 HB2 CYS B 17 -0.111 14.017 2.378 1.00 0.00 H ATOM 426 HB3 CYS B 17 0.640 14.270 0.809 1.00 0.00 H HETATM 427 N NH2 B 18 -1.142 17.869 3.243 1.00 0.00 N HETATM 428 HN1 NH2 B 18 -1.090 18.198 4.210 1.00 0.00 H HETATM 429 HN2 NH2 B 18 -1.105 18.452 2.394 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -0.909 5.367 -0.661 1.00 0.00 CO HETATM 432 C PC3 A 20 -0.084 1.561 -2.582 1.00 0.00 C HETATM 433 C1 PC3 A 20 -1.520 1.432 -2.377 1.00 0.00 C HETATM 434 C2A PC3 A 20 -1.909 2.641 -1.719 1.00 0.00 C HETATM 435 N2B PC3 A 20 -0.865 3.511 -1.507 1.00 0.00 N HETATM 436 C2C PC3 A 20 0.230 2.818 -1.976 1.00 0.00 C HETATM 437 CA PC3 A 20 -3.262 2.965 -1.293 1.00 0.00 C HETATM 438 C4C PC3 A 20 -3.764 4.140 -0.598 1.00 0.00 C HETATM 439 C2 PC3 A 20 -5.114 4.315 -0.149 1.00 0.00 C HETATM 440 C3 PC3 A 20 -5.146 5.660 0.394 1.00 0.00 C HETATM 441 C4A PC3 A 20 -3.794 6.104 0.316 1.00 0.00 C HETATM 442 N4B PC3 A 20 -2.938 5.209 -0.306 1.00 0.00 N HETATM 443 CB PC3 A 20 -3.324 7.376 0.840 1.00 0.00 C HETATM 444 C6C PC3 A 20 -2.004 7.944 0.785 1.00 0.00 C HETATM 445 C4 PC3 A 20 -1.658 9.225 1.299 1.00 0.00 C HETATM 446 C5 PC3 A 20 -0.263 9.367 0.984 1.00 0.00 C HETATM 447 C6A PC3 A 20 0.094 8.151 0.378 1.00 0.00 C HETATM 448 N6B PC3 A 20 -0.944 7.263 0.218 1.00 0.00 N HETATM 449 CC PC3 A 20 1.430 7.855 -0.037 1.00 0.00 C HETATM 450 C8C PC3 A 20 1.972 6.628 -0.572 1.00 0.00 C HETATM 451 C6 PC3 A 20 3.363 6.392 -0.832 1.00 0.00 C HETATM 452 C7 PC3 A 20 3.382 5.061 -1.409 1.00 0.00 C HETATM 453 C8A PC3 A 20 2.022 4.637 -1.395 1.00 0.00 C HETATM 454 N8B PC3 A 20 1.146 5.561 -0.879 1.00 0.00 N HETATM 455 CD PC3 A 20 1.567 3.357 -1.873 1.00 0.00 C HETATM 456 C8 PC3 A 20 -6.341 6.357 1.051 1.00 0.00 C HETATM 457 C9 PC3 A 20 -2.410 0.277 -2.832 1.00 0.00 C HETATM 458 C10 PC3 A 20 4.596 4.290 -1.931 1.00 0.00 C HETATM 459 C11 PC3 A 20 0.694 10.486 1.344 1.00 0.00 C HETATM 460 C12 PC3 A 20 -6.186 3.223 0.074 1.00 0.00 C HETATM 461 CX5 PC3 A 20 -6.200 2.589 1.506 1.00 0.00 C HETATM 462 C14 PC3 A 20 0.745 0.805 -3.663 1.00 0.00 C HETATM 463 C15 PC3 A 20 1.586 1.616 -4.721 1.00 0.00 C HETATM 464 C16 PC3 A 20 4.623 7.247 -0.566 1.00 0.00 C HETATM 465 C17 PC3 A 20 4.582 8.245 0.620 1.00 0.00 C HETATM 466 C18 PC3 A 20 -2.405 10.069 2.321 1.00 0.00 C HETATM 467 C19 PC3 A 20 -3.830 10.495 1.938 1.00 0.00 C HETATM 468 C21 PC3 A 20 1.089 2.998 -5.188 1.00 0.00 C HETATM 469 O1 PC3 A 20 -0.003 3.068 -5.780 1.00 0.00 O HETATM 470 O2 PC3 A 20 1.644 4.023 -4.734 1.00 0.00 O HETATM 471 C22 PC3 A 20 -4.861 2.084 2.055 1.00 0.00 C HETATM 472 O3 PC3 A 20 -4.280 1.164 1.441 1.00 0.00 O HETATM 473 O22 PC3 A 20 -4.250 2.786 2.889 1.00 0.00 O HETATM 474 C23 PC3 A 20 -3.958 11.511 0.813 1.00 0.00 C HETATM 475 O23 PC3 A 20 -4.981 11.426 0.100 1.00 0.00 O HETATM 476 O4 PC3 A 20 -3.080 12.369 0.615 1.00 0.00 O HETATM 477 C24 PC3 A 20 5.910 8.556 1.286 1.00 0.00 C HETATM 478 O5 PC3 A 20 6.172 9.743 1.553 1.00 0.00 O HETATM 479 O6 PC3 A 20 6.624 7.603 1.662 1.00 0.00 O HETATM 480 HA PC3 A 20 -3.995 2.188 -1.473 1.00 0.00 H HETATM 481 HB PC3 A 20 -4.073 7.992 1.325 1.00 0.00 H HETATM 482 HC PC3 A 20 2.126 8.668 0.102 1.00 0.00 H HETATM 483 HD PC3 A 20 2.346 2.715 -2.266 1.00 0.00 H HETATM 484 H81 PC3 A 20 -6.288 7.461 0.985 1.00 0.00 H HETATM 485 H82 PC3 A 20 -6.423 6.090 2.120 1.00 0.00 H HETATM 486 H83 PC3 A 20 -7.295 6.064 0.574 1.00 0.00 H HETATM 487 H91 PC3 A 20 -2.918 0.507 -3.787 1.00 0.00 H HETATM 488 H92 PC3 A 20 -1.835 -0.655 -2.988 1.00 0.00 H HETATM 489 H93 PC3 A 20 -3.192 0.031 -2.088 1.00 0.00 H HETATM 490 H101 PC3 A 20 4.812 3.393 -1.322 1.00 0.00 H HETATM 491 H102 PC3 A 20 5.520 4.899 -1.934 1.00 0.00 H HETATM 492 H103 PC3 A 20 4.445 3.956 -2.976 1.00 0.00 H HETATM 493 H111 PC3 A 20 1.564 10.537 0.662 1.00 0.00 H HETATM 494 H112 PC3 A 20 1.087 10.383 2.372 1.00 0.00 H HETATM 495 H113 PC3 A 20 0.191 11.472 1.292 1.00 0.00 H HETATM 496 H121 PC3 A 20 -7.186 3.647 -0.141 1.00 0.00 H HETATM 497 H122 PC3 A 20 -6.074 2.414 -0.669 1.00 0.00 H HETATM 498 H221 PC3 A 20 -6.908 1.742 1.533 1.00 0.00 H HETATM 499 H222 PC3 A 20 -6.603 3.319 2.232 1.00 0.00 H HETATM 500 H141 PC3 A 20 1.399 0.063 -3.169 1.00 0.00 H HETATM 501 H142 PC3 A 20 0.042 0.184 -4.251 1.00 0.00 H HETATM 502 H151 PC3 A 20 1.713 1.004 -5.632 1.00 0.00 H HETATM 503 H152 PC3 A 20 2.617 1.753 -4.352 1.00 0.00 H HETATM 504 H161 PC3 A 20 5.470 6.557 -0.380 1.00 0.00 H HETATM 505 H162 PC3 A 20 4.927 7.784 -1.485 1.00 0.00 H HETATM 506 H171 PC3 A 20 3.944 7.865 1.434 1.00 0.00 H HETATM 507 H172 PC3 A 20 4.155 9.210 0.298 1.00 0.00 H HETATM 508 H181 PC3 A 20 -2.437 9.531 3.287 1.00 0.00 H HETATM 509 H182 PC3 A 20 -1.821 10.986 2.533 1.00 0.00 H HETATM 510 H192 PC3 A 20 -4.448 9.614 1.696 1.00 0.00 H HETATM 511 H191 PC3 A 20 -4.317 10.959 2.814 1.00 0.00 H