HETATM 1 C ACE A 0 -6.633 -3.561 1.073 1.00 0.00 C HETATM 2 O ACE A 0 -7.279 -3.194 2.047 1.00 0.00 O HETATM 3 CH3 ACE A 0 -6.530 -5.047 0.762 1.00 0.00 C HETATM 4 H1 ACE A 0 -7.027 -5.641 1.550 1.00 0.00 H HETATM 5 H2 ACE A 0 -5.478 -5.374 0.710 1.00 0.00 H HETATM 6 H3 ACE A 0 -7.024 -5.282 -0.196 1.00 0.00 H ATOM 7 N CYS A 1 -6.043 -2.617 0.350 1.00 0.00 N ATOM 8 CA CYS A 1 -5.161 -2.887 -0.843 1.00 0.00 C ATOM 9 C CYS A 1 -3.613 -3.036 -0.569 1.00 0.00 C ATOM 10 O CYS A 1 -2.895 -3.409 -1.501 1.00 0.00 O ATOM 11 CB CYS A 1 -5.382 -1.667 -1.768 1.00 0.00 C ATOM 12 SG CYS A 1 -7.110 -1.375 -2.207 1.00 0.00 S ATOM 13 H CYS A 1 -6.211 -1.677 0.762 1.00 0.00 H ATOM 14 HA CYS A 1 -5.453 -3.803 -1.439 1.00 0.00 H ATOM 15 HB2 CYS A 1 -4.992 -0.746 -1.301 1.00 0.00 H ATOM 16 HB3 CYS A 1 -4.812 -1.786 -2.708 1.00 0.00 H ATOM 17 N GLY A 2 -3.058 -2.757 0.635 1.00 0.00 N ATOM 18 CA GLY A 2 -1.596 -2.656 0.815 1.00 0.00 C ATOM 19 C GLY A 2 -1.157 -2.399 2.274 1.00 0.00 C ATOM 20 O GLY A 2 -1.156 -1.254 2.729 1.00 0.00 O ATOM 21 H GLY A 2 -3.662 -2.832 1.457 1.00 0.00 H ATOM 22 HA2 GLY A 2 -1.089 -3.536 0.377 1.00 0.00 H ATOM 23 HA3 GLY A 2 -1.244 -1.802 0.198 1.00 0.00 H ATOM 24 N ALA A 3 -0.767 -3.441 3.024 1.00 0.00 N ATOM 25 CA ALA A 3 -0.090 -3.263 4.342 1.00 0.00 C ATOM 26 C ALA A 3 1.391 -2.752 4.260 1.00 0.00 C ATOM 27 O ALA A 3 1.826 -2.014 5.146 1.00 0.00 O ATOM 28 CB ALA A 3 -0.230 -4.584 5.084 1.00 0.00 C ATOM 29 H ALA A 3 -1.020 -4.373 2.693 1.00 0.00 H ATOM 30 HA ALA A 3 -0.643 -2.500 4.933 1.00 0.00 H ATOM 31 HB1 ALA A 3 0.299 -5.398 4.557 1.00 0.00 H ATOM 32 HB2 ALA A 3 0.203 -4.486 6.096 1.00 0.00 H ATOM 33 HB3 ALA A 3 -1.293 -4.859 5.206 1.00 0.00 H ATOM 34 N GLU A 4 2.166 -3.111 3.218 1.00 0.00 N ATOM 35 CA GLU A 4 3.451 -2.414 2.916 1.00 0.00 C ATOM 36 C GLU A 4 3.259 -0.885 2.580 1.00 0.00 C ATOM 37 O GLU A 4 4.005 -0.042 3.082 1.00 0.00 O ATOM 38 CB GLU A 4 4.188 -3.147 1.795 1.00 0.00 C ATOM 39 CG GLU A 4 4.965 -4.441 2.167 1.00 0.00 C ATOM 40 CD GLU A 4 6.042 -4.313 3.235 1.00 0.00 C ATOM 41 OE1 GLU A 4 7.065 -3.618 3.042 1.00 0.00 O ATOM 42 OE2 GLU A 4 5.880 -4.923 4.312 1.00 0.00 O ATOM 43 H GLU A 4 1.813 -3.875 2.631 1.00 0.00 H ATOM 44 HA GLU A 4 4.109 -2.471 3.786 1.00 0.00 H ATOM 45 HB2 GLU A 4 3.450 -3.322 0.992 1.00 0.00 H ATOM 46 HB3 GLU A 4 4.923 -2.424 1.413 1.00 0.00 H ATOM 47 HG2 GLU A 4 4.261 -5.226 2.492 1.00 0.00 H ATOM 48 HG3 GLU A 4 5.464 -4.859 1.277 1.00 0.00 H ATOM 49 N ALA A 5 2.234 -0.540 1.769 1.00 0.00 N ATOM 50 CA ALA A 5 1.766 0.869 1.607 1.00 0.00 C ATOM 51 C ALA A 5 1.400 1.542 2.968 1.00 0.00 C ATOM 52 O ALA A 5 1.850 2.653 3.176 1.00 0.00 O ATOM 53 CB ALA A 5 0.512 0.830 0.726 1.00 0.00 C ATOM 54 H ALA A 5 1.694 -1.377 1.502 1.00 0.00 H ATOM 55 HA ALA A 5 2.527 1.530 1.101 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.315 0.301 1.229 1.00 0.00 H ATOM 57 HB2 ALA A 5 0.699 0.331 -0.237 1.00 0.00 H ATOM 58 HB3 ALA A 5 0.157 1.852 0.545 1.00 0.00 H ATOM 59 N ALA A 6 0.615 0.930 3.877 1.00 0.00 N ATOM 60 CA ALA A 6 0.436 1.432 5.276 1.00 0.00 C ATOM 61 C ALA A 6 1.736 1.627 6.148 1.00 0.00 C ATOM 62 O ALA A 6 1.866 2.653 6.820 1.00 0.00 O ATOM 63 CB ALA A 6 -0.429 0.365 5.921 1.00 0.00 C ATOM 64 H ALA A 6 0.281 -0.006 3.585 1.00 0.00 H ATOM 65 HA ALA A 6 -0.167 2.382 5.281 1.00 0.00 H ATOM 66 HB1 ALA A 6 -1.343 0.166 5.341 1.00 0.00 H ATOM 67 HB2 ALA A 6 0.147 -0.573 6.009 1.00 0.00 H ATOM 68 HB3 ALA A 6 -0.691 0.677 6.944 1.00 0.00 H ATOM 69 N LYS A 7 2.680 0.656 6.141 1.00 0.00 N ATOM 70 CA LYS A 7 4.052 0.828 6.727 1.00 0.00 C ATOM 71 C LYS A 7 4.851 2.053 6.138 1.00 0.00 C ATOM 72 O LYS A 7 5.479 2.817 6.877 1.00 0.00 O ATOM 73 CB LYS A 7 4.668 -0.581 6.462 1.00 0.00 C ATOM 74 CG LYS A 7 6.123 -0.913 6.875 1.00 0.00 C ATOM 75 CD LYS A 7 6.514 -2.240 6.180 1.00 0.00 C ATOM 76 CE LYS A 7 7.901 -2.818 6.506 1.00 0.00 C ATOM 77 NZ LYS A 7 8.092 -3.975 5.587 1.00 0.00 N ATOM 78 H LYS A 7 2.465 -0.176 5.547 1.00 0.00 H ATOM 79 HA LYS A 7 3.955 1.040 7.817 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.014 -1.352 6.921 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.575 -0.783 5.375 1.00 0.00 H ATOM 82 HG2 LYS A 7 6.802 -0.091 6.578 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.198 -0.997 7.976 1.00 0.00 H ATOM 84 HD2 LYS A 7 5.740 -3.016 6.385 1.00 0.00 H ATOM 85 HD3 LYS A 7 6.432 -2.071 5.085 1.00 0.00 H ATOM 86 HE2 LYS A 7 8.697 -2.059 6.360 1.00 0.00 H ATOM 87 HE3 LYS A 7 7.949 -3.124 7.575 1.00 0.00 H ATOM 88 HZ1 LYS A 7 7.263 -4.606 5.562 1.00 0.00 H ATOM 89 HZ2 LYS A 7 7.979 -3.728 4.575 1.00 0.00 H ATOM 90 HZ3 LYS A 7 8.929 -4.559 5.657 1.00 0.00 H ATOM 91 N ALA A 8 4.818 2.220 4.809 1.00 0.00 N ATOM 92 CA ALA A 8 5.252 3.448 4.109 1.00 0.00 C ATOM 93 C ALA A 8 4.470 4.769 4.445 1.00 0.00 C ATOM 94 O ALA A 8 5.086 5.826 4.586 1.00 0.00 O ATOM 95 CB ALA A 8 5.082 3.145 2.647 1.00 0.00 C ATOM 96 H ALA A 8 4.331 1.469 4.303 1.00 0.00 H ATOM 97 HA ALA A 8 6.335 3.595 4.202 1.00 0.00 H ATOM 98 HB1 ALA A 8 5.621 3.933 2.102 1.00 0.00 H ATOM 99 HB2 ALA A 8 5.476 2.172 2.331 1.00 0.00 H ATOM 100 HB3 ALA A 8 4.018 3.230 2.356 1.00 0.00 H ATOM 101 N HIS A 9 3.128 4.705 4.583 1.00 0.00 N ATOM 102 CA HIS A 9 2.288 5.809 5.108 1.00 0.00 C ATOM 103 C HIS A 9 2.736 6.267 6.541 1.00 0.00 C ATOM 104 O HIS A 9 3.129 7.429 6.638 1.00 0.00 O ATOM 105 CB HIS A 9 0.822 5.357 4.909 1.00 0.00 C ATOM 106 CG HIS A 9 0.242 5.073 3.504 1.00 0.00 C ATOM 107 ND1 HIS A 9 -0.714 4.062 3.353 1.00 0.00 N ATOM 108 CD2 HIS A 9 0.576 5.606 2.261 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.025 4.140 1.997 1.00 0.00 C ATOM 110 NE2 HIS A 9 -0.321 5.116 1.380 1.00 0.00 N ATOM 111 H HIS A 9 2.700 3.805 4.286 1.00 0.00 H ATOM 112 HA HIS A 9 2.448 6.715 4.503 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.704 4.443 5.517 1.00 0.00 H ATOM 114 HB3 HIS A 9 0.179 6.110 5.384 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.069 3.424 4.074 1.00 0.00 H ATOM 116 HD2 HIS A 9 1.395 6.274 2.025 1.00 0.00 H ATOM 117 HE1 HIS A 9 -1.740 3.447 1.556 1.00 0.00 H ATOM 118 N ALA A 10 2.786 5.407 7.590 1.00 0.00 N ATOM 119 CA ALA A 10 3.489 5.709 8.864 1.00 0.00 C ATOM 120 C ALA A 10 4.950 6.282 8.734 1.00 0.00 C ATOM 121 O ALA A 10 5.242 7.347 9.280 1.00 0.00 O ATOM 122 CB ALA A 10 3.455 4.337 9.587 1.00 0.00 C ATOM 123 H ALA A 10 2.117 4.628 7.645 1.00 0.00 H ATOM 124 HA ALA A 10 2.905 6.451 9.436 1.00 0.00 H ATOM 125 HB1 ALA A 10 3.936 4.392 10.580 1.00 0.00 H ATOM 126 HB2 ALA A 10 4.000 3.551 9.023 1.00 0.00 H ATOM 127 HB3 ALA A 10 2.429 3.956 9.746 1.00 0.00 H ATOM 128 N LYS A 11 5.827 5.625 7.944 1.00 0.00 N ATOM 129 CA LYS A 11 7.190 6.160 7.600 1.00 0.00 C ATOM 130 C LYS A 11 7.235 7.648 7.084 1.00 0.00 C ATOM 131 O LYS A 11 7.966 8.477 7.642 1.00 0.00 O ATOM 132 CB LYS A 11 7.760 5.100 6.606 1.00 0.00 C ATOM 133 CG LYS A 11 9.125 5.344 5.909 1.00 0.00 C ATOM 134 CD LYS A 11 9.202 4.701 4.496 1.00 0.00 C ATOM 135 CE LYS A 11 9.092 3.159 4.401 1.00 0.00 C ATOM 136 NZ LYS A 11 10.396 2.553 4.789 1.00 0.00 N ATOM 137 H LYS A 11 5.332 4.917 7.367 1.00 0.00 H ATOM 138 HA LYS A 11 7.793 6.160 8.530 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.775 4.110 7.103 1.00 0.00 H ATOM 140 HB3 LYS A 11 7.003 4.990 5.812 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.279 6.437 5.780 1.00 0.00 H ATOM 142 HG3 LYS A 11 9.959 5.032 6.565 1.00 0.00 H ATOM 143 HD2 LYS A 11 8.376 5.140 3.895 1.00 0.00 H ATOM 144 HD3 LYS A 11 10.103 5.075 3.966 1.00 0.00 H ATOM 145 HE2 LYS A 11 8.250 2.782 5.027 1.00 0.00 H ATOM 146 HE3 LYS A 11 8.804 2.874 3.360 1.00 0.00 H ATOM 147 HZ1 LYS A 11 10.421 1.527 4.724 1.00 0.00 H ATOM 148 HZ2 LYS A 11 10.662 2.806 5.749 1.00 0.00 H ATOM 149 HZ3 LYS A 11 11.169 2.896 4.202 1.00 0.00 H ATOM 150 N ALA A 12 6.454 7.961 6.034 1.00 0.00 N ATOM 151 CA ALA A 12 6.192 9.345 5.582 1.00 0.00 C ATOM 152 C ALA A 12 5.491 10.210 6.686 1.00 0.00 C ATOM 153 O ALA A 12 6.190 10.928 7.368 1.00 0.00 O ATOM 154 CB ALA A 12 5.451 9.232 4.234 1.00 0.00 C ATOM 155 H ALA A 12 5.909 7.167 5.679 1.00 0.00 H ATOM 156 HA ALA A 12 7.168 9.824 5.379 1.00 0.00 H ATOM 157 HB1 ALA A 12 5.229 10.231 3.815 1.00 0.00 H ATOM 158 HB2 ALA A 12 4.487 8.697 4.335 1.00 0.00 H ATOM 159 HB3 ALA A 12 6.048 8.690 3.477 1.00 0.00 H ATOM 160 N ALA A 13 4.190 10.136 6.939 1.00 0.00 N ATOM 161 CA ALA A 13 3.487 10.748 8.125 1.00 0.00 C ATOM 162 C ALA A 13 4.257 11.110 9.466 1.00 0.00 C ATOM 163 O ALA A 13 3.985 12.146 10.075 1.00 0.00 O ATOM 164 CB ALA A 13 2.316 9.784 8.374 1.00 0.00 C ATOM 165 H ALA A 13 3.775 9.463 6.307 1.00 0.00 H ATOM 166 HA ALA A 13 3.036 11.696 7.789 1.00 0.00 H ATOM 167 HB1 ALA A 13 2.685 8.802 8.724 1.00 0.00 H ATOM 168 HB2 ALA A 13 1.633 10.177 9.144 1.00 0.00 H ATOM 169 HB3 ALA A 13 1.715 9.609 7.460 1.00 0.00 H ATOM 170 N GLU A 14 5.196 10.244 9.871 1.00 0.00 N ATOM 171 CA GLU A 14 6.197 10.500 10.952 1.00 0.00 C ATOM 172 C GLU A 14 7.439 11.361 10.462 1.00 0.00 C ATOM 173 O GLU A 14 7.564 12.523 10.859 1.00 0.00 O ATOM 174 CB GLU A 14 6.579 9.099 11.526 1.00 0.00 C ATOM 175 CG GLU A 14 7.382 9.089 12.858 1.00 0.00 C ATOM 176 CD GLU A 14 6.559 9.085 14.136 1.00 0.00 C ATOM 177 OE1 GLU A 14 6.031 8.013 14.498 1.00 0.00 O ATOM 178 OE2 GLU A 14 6.478 10.135 14.803 1.00 0.00 O ATOM 179 H GLU A 14 5.349 9.558 9.123 1.00 0.00 H ATOM 180 HA GLU A 14 5.709 11.067 11.770 1.00 0.00 H ATOM 181 HB2 GLU A 14 5.670 8.479 11.672 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.152 8.541 10.760 1.00 0.00 H ATOM 183 HG2 GLU A 14 8.000 8.180 12.916 1.00 0.00 H ATOM 184 HG3 GLU A 14 8.090 9.934 12.918 1.00 0.00 H ATOM 185 N ALA A 15 8.360 10.832 9.614 1.00 0.00 N ATOM 186 CA ALA A 15 9.517 11.622 9.063 1.00 0.00 C ATOM 187 C ALA A 15 9.219 12.556 7.824 1.00 0.00 C ATOM 188 O ALA A 15 9.678 13.698 7.758 1.00 0.00 O ATOM 189 CB ALA A 15 10.644 10.602 8.806 1.00 0.00 C ATOM 190 H ALA A 15 8.145 9.863 9.329 1.00 0.00 H ATOM 191 HA ALA A 15 9.881 12.307 9.856 1.00 0.00 H ATOM 192 HB1 ALA A 15 11.567 11.107 8.466 1.00 0.00 H ATOM 193 HB2 ALA A 15 10.905 10.043 9.725 1.00 0.00 H ATOM 194 HB3 ALA A 15 10.365 9.864 8.032 1.00 0.00 H ATOM 195 N GLY A 16 8.534 12.016 6.805 1.00 0.00 N ATOM 196 CA GLY A 16 7.899 12.785 5.701 1.00 0.00 C ATOM 197 C GLY A 16 6.657 13.607 6.138 1.00 0.00 C ATOM 198 O GLY A 16 6.715 14.433 7.050 1.00 0.00 O ATOM 199 H GLY A 16 8.040 11.191 7.161 1.00 0.00 H ATOM 200 HA2 GLY A 16 8.598 13.423 5.166 1.00 0.00 H ATOM 201 HA3 GLY A 16 7.545 12.014 4.981 1.00 0.00 H ATOM 202 N CYS A 17 5.518 13.343 5.484 1.00 0.00 N ATOM 203 CA CYS A 17 4.202 13.839 5.947 1.00 0.00 C ATOM 204 C CYS A 17 3.963 15.374 5.964 1.00 0.00 C ATOM 205 O CYS A 17 4.520 16.192 5.224 1.00 0.00 O ATOM 206 CB CYS A 17 3.348 13.336 4.742 1.00 0.00 C ATOM 207 SG CYS A 17 3.973 13.896 3.123 1.00 0.00 S ATOM 208 H CYS A 17 5.628 12.749 4.662 1.00 0.00 H ATOM 209 HA CYS A 17 4.040 13.362 6.948 1.00 0.00 H ATOM 210 HB2 CYS A 17 3.269 12.233 4.735 1.00 0.00 H ATOM 211 HB3 CYS A 17 2.288 13.660 4.828 1.00 0.00 H HETATM 212 N NH2 A 18 3.084 15.735 6.875 1.00 0.00 N HETATM 213 HN1 NH2 A 18 2.643 15.026 7.471 1.00 0.00 H HETATM 214 HN2 NH2 A 18 2.841 16.725 6.990 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -4.788 -3.477 -5.990 1.00 0.00 C HETATM 217 O ACE B 0 -5.146 -4.219 -6.903 1.00 0.00 O HETATM 218 CH3 ACE B 0 -3.525 -3.756 -5.204 1.00 0.00 C HETATM 219 H1 ACE B 0 -2.847 -2.881 -5.226 1.00 0.00 H HETATM 220 H2 ACE B 0 -2.978 -4.610 -5.639 1.00 0.00 H HETATM 221 H3 ACE B 0 -3.748 -3.991 -4.149 1.00 0.00 H ATOM 222 N CYS B 1 -5.449 -2.399 -5.594 1.00 0.00 N ATOM 223 CA CYS B 1 -6.626 -1.846 -6.338 1.00 0.00 C ATOM 224 C CYS B 1 -6.379 -0.618 -7.301 1.00 0.00 C ATOM 225 O CYS B 1 -7.028 -0.558 -8.351 1.00 0.00 O ATOM 226 CB CYS B 1 -7.704 -1.602 -5.261 1.00 0.00 C ATOM 227 SG CYS B 1 -7.214 -0.427 -3.978 1.00 0.00 S ATOM 228 H CYS B 1 -4.949 -1.923 -4.824 1.00 0.00 H ATOM 229 HA CYS B 1 -7.060 -2.622 -7.022 1.00 0.00 H ATOM 230 HB2 CYS B 1 -8.631 -1.235 -5.733 1.00 0.00 H ATOM 231 HB3 CYS B 1 -7.967 -2.556 -4.769 1.00 0.00 H ATOM 232 N GLY B 2 -5.524 0.376 -6.993 1.00 0.00 N ATOM 233 CA GLY B 2 -5.087 1.433 -7.946 1.00 0.00 C ATOM 234 C GLY B 2 -5.817 2.791 -7.880 1.00 0.00 C ATOM 235 O GLY B 2 -5.190 3.845 -7.963 1.00 0.00 O ATOM 236 H GLY B 2 -4.978 0.277 -6.128 1.00 0.00 H ATOM 237 HA2 GLY B 2 -4.012 1.627 -7.747 1.00 0.00 H ATOM 238 HA3 GLY B 2 -5.097 1.068 -8.990 1.00 0.00 H ATOM 239 N ALA B 3 -7.148 2.765 -7.787 1.00 0.00 N ATOM 240 CA ALA B 3 -8.009 3.968 -7.935 1.00 0.00 C ATOM 241 C ALA B 3 -8.308 4.791 -6.643 1.00 0.00 C ATOM 242 O ALA B 3 -8.156 6.016 -6.688 1.00 0.00 O ATOM 243 CB ALA B 3 -9.269 3.432 -8.613 1.00 0.00 C ATOM 244 H ALA B 3 -7.495 1.817 -7.598 1.00 0.00 H ATOM 245 HA ALA B 3 -7.513 4.689 -8.629 1.00 0.00 H ATOM 246 HB1 ALA B 3 -9.785 2.695 -7.969 1.00 0.00 H ATOM 247 HB2 ALA B 3 -9.972 4.255 -8.821 1.00 0.00 H ATOM 248 HB3 ALA B 3 -9.024 2.938 -9.572 1.00 0.00 H ATOM 249 N GLU B 4 -8.700 4.181 -5.501 1.00 0.00 N ATOM 250 CA GLU B 4 -8.734 4.908 -4.192 1.00 0.00 C ATOM 251 C GLU B 4 -7.318 5.436 -3.741 1.00 0.00 C ATOM 252 O GLU B 4 -7.176 6.554 -3.225 1.00 0.00 O ATOM 253 CB GLU B 4 -9.517 4.065 -3.159 1.00 0.00 C ATOM 254 CG GLU B 4 -11.059 3.917 -3.385 1.00 0.00 C ATOM 255 CD GLU B 4 -11.909 5.176 -3.568 1.00 0.00 C ATOM 256 OE1 GLU B 4 -12.078 5.619 -4.722 1.00 0.00 O ATOM 257 OE2 GLU B 4 -12.437 5.726 -2.579 1.00 0.00 O ATOM 258 H GLU B 4 -9.100 3.242 -5.576 1.00 0.00 H ATOM 259 HA GLU B 4 -9.309 5.824 -4.353 1.00 0.00 H ATOM 260 HB2 GLU B 4 -9.050 3.063 -3.091 1.00 0.00 H ATOM 261 HB3 GLU B 4 -9.359 4.519 -2.165 1.00 0.00 H ATOM 262 HG2 GLU B 4 -11.253 3.284 -4.267 1.00 0.00 H ATOM 263 HG3 GLU B 4 -11.501 3.369 -2.535 1.00 0.00 H ATOM 264 N ALA B 5 -6.255 4.654 -4.032 1.00 0.00 N ATOM 265 CA ALA B 5 -4.856 5.161 -4.006 1.00 0.00 C ATOM 266 C ALA B 5 -4.669 6.396 -4.938 1.00 0.00 C ATOM 267 O ALA B 5 -4.198 7.418 -4.442 1.00 0.00 O ATOM 268 CB ALA B 5 -3.959 4.053 -4.581 1.00 0.00 C ATOM 269 H ALA B 5 -6.576 3.846 -4.593 1.00 0.00 H ATOM 270 HA ALA B 5 -4.522 5.464 -2.979 1.00 0.00 H ATOM 271 HB1 ALA B 5 -4.297 3.770 -5.600 1.00 0.00 H ATOM 272 HB2 ALA B 5 -2.926 4.399 -4.747 1.00 0.00 H ATOM 273 HB3 ALA B 5 -3.959 3.136 -3.984 1.00 0.00 H ATOM 274 N ALA B 6 -5.025 6.320 -6.242 1.00 0.00 N ATOM 275 CA ALA B 6 -4.825 7.431 -7.181 1.00 0.00 C ATOM 276 C ALA B 6 -5.495 8.800 -6.748 1.00 0.00 C ATOM 277 O ALA B 6 -4.835 9.835 -6.674 1.00 0.00 O ATOM 278 CB ALA B 6 -5.405 6.967 -8.509 1.00 0.00 C ATOM 279 H ALA B 6 -5.466 5.446 -6.583 1.00 0.00 H ATOM 280 HA ALA B 6 -3.719 7.440 -7.280 1.00 0.00 H ATOM 281 HB1 ALA B 6 -5.298 7.762 -9.263 1.00 0.00 H ATOM 282 HB2 ALA B 6 -4.891 6.064 -8.870 1.00 0.00 H ATOM 283 HB3 ALA B 6 -6.483 6.746 -8.408 1.00 0.00 H ATOM 284 N LYS B 7 -6.803 8.744 -6.417 1.00 0.00 N ATOM 285 CA LYS B 7 -7.610 9.810 -5.739 1.00 0.00 C ATOM 286 C LYS B 7 -6.928 10.447 -4.478 1.00 0.00 C ATOM 287 O LYS B 7 -6.740 11.666 -4.421 1.00 0.00 O ATOM 288 CB LYS B 7 -8.945 9.048 -5.415 1.00 0.00 C ATOM 289 CG LYS B 7 -9.957 9.620 -4.379 1.00 0.00 C ATOM 290 CD LYS B 7 -10.744 8.451 -3.746 1.00 0.00 C ATOM 291 CE LYS B 7 -11.591 8.749 -2.504 1.00 0.00 C ATOM 292 NZ LYS B 7 -13.000 8.960 -2.914 1.00 0.00 N ATOM 293 H LYS B 7 -7.204 7.809 -6.585 1.00 0.00 H ATOM 294 HA LYS B 7 -7.779 10.647 -6.454 1.00 0.00 H ATOM 295 HB2 LYS B 7 -9.474 8.816 -6.361 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.651 8.042 -5.042 1.00 0.00 H ATOM 297 HG2 LYS B 7 -9.417 10.171 -3.585 1.00 0.00 H ATOM 298 HG3 LYS B 7 -10.616 10.368 -4.856 1.00 0.00 H ATOM 299 HD2 LYS B 7 -11.314 7.908 -4.527 1.00 0.00 H ATOM 300 HD3 LYS B 7 -10.011 7.688 -3.413 1.00 0.00 H ATOM 301 HE2 LYS B 7 -11.528 7.863 -1.830 1.00 0.00 H ATOM 302 HE3 LYS B 7 -11.162 9.575 -1.900 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -13.667 9.096 -2.144 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -13.110 9.714 -3.595 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -13.318 8.110 -3.406 1.00 0.00 H ATOM 306 N ALA B 8 -6.544 9.641 -3.468 1.00 0.00 N ATOM 307 CA ALA B 8 -5.677 10.117 -2.360 1.00 0.00 C ATOM 308 C ALA B 8 -4.307 10.770 -2.766 1.00 0.00 C ATOM 309 O ALA B 8 -3.820 11.687 -2.102 1.00 0.00 O ATOM 310 CB ALA B 8 -5.321 8.874 -1.572 1.00 0.00 C ATOM 311 H ALA B 8 -6.806 8.645 -3.567 1.00 0.00 H ATOM 312 HA ALA B 8 -6.255 10.766 -1.667 1.00 0.00 H ATOM 313 HB1 ALA B 8 -6.216 8.357 -1.201 1.00 0.00 H ATOM 314 HB2 ALA B 8 -4.711 8.182 -2.179 1.00 0.00 H ATOM 315 HB3 ALA B 8 -4.715 9.206 -0.719 1.00 0.00 H ATOM 316 N HIS B 9 -3.659 10.219 -3.810 1.00 0.00 N ATOM 317 CA HIS B 9 -2.350 10.714 -4.326 1.00 0.00 C ATOM 318 C HIS B 9 -2.478 12.129 -4.995 1.00 0.00 C ATOM 319 O HIS B 9 -1.707 13.028 -4.648 1.00 0.00 O ATOM 320 CB HIS B 9 -1.787 9.524 -5.143 1.00 0.00 C ATOM 321 CG HIS B 9 -1.411 8.245 -4.357 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.173 7.043 -5.023 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.440 8.052 -2.974 1.00 0.00 C ATOM 324 CE1 HIS B 9 -0.983 6.152 -3.952 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.098 6.771 -2.746 1.00 0.00 N ATOM 326 H HIS B 9 -4.239 9.562 -4.385 1.00 0.00 H ATOM 327 HA HIS B 9 -1.641 10.860 -3.488 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.531 9.246 -5.913 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.915 9.882 -5.713 1.00 0.00 H ATOM 330 HD1 HIS B 9 -1.216 6.860 -6.036 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.698 8.800 -2.223 1.00 0.00 H ATOM 332 HE1 HIS B 9 -0.776 5.101 -4.146 1.00 0.00 H ATOM 333 N ALA B 10 -3.487 12.313 -5.868 1.00 0.00 N ATOM 334 CA ALA B 10 -3.961 13.629 -6.344 1.00 0.00 C ATOM 335 C ALA B 10 -4.413 14.630 -5.225 1.00 0.00 C ATOM 336 O ALA B 10 -4.039 15.792 -5.300 1.00 0.00 O ATOM 337 CB ALA B 10 -5.157 13.247 -7.246 1.00 0.00 C ATOM 338 H ALA B 10 -3.822 11.483 -6.368 1.00 0.00 H ATOM 339 HA ALA B 10 -3.160 14.128 -6.923 1.00 0.00 H ATOM 340 HB1 ALA B 10 -5.955 12.731 -6.671 1.00 0.00 H ATOM 341 HB2 ALA B 10 -5.632 14.141 -7.687 1.00 0.00 H ATOM 342 HB3 ALA B 10 -4.878 12.570 -8.074 1.00 0.00 H ATOM 343 N LYS B 11 -5.162 14.209 -4.183 1.00 0.00 N ATOM 344 CA LYS B 11 -5.422 15.075 -2.973 1.00 0.00 C ATOM 345 C LYS B 11 -4.118 15.677 -2.304 1.00 0.00 C ATOM 346 O LYS B 11 -3.907 16.900 -2.169 1.00 0.00 O ATOM 347 CB LYS B 11 -6.332 14.239 -2.017 1.00 0.00 C ATOM 348 CG LYS B 11 -6.555 14.780 -0.580 1.00 0.00 C ATOM 349 CD LYS B 11 -7.313 16.128 -0.492 1.00 0.00 C ATOM 350 CE LYS B 11 -6.685 17.148 0.482 1.00 0.00 C ATOM 351 NZ LYS B 11 -5.633 17.947 -0.204 1.00 0.00 N ATOM 352 H LYS B 11 -5.251 13.174 -4.207 1.00 0.00 H ATOM 353 HA LYS B 11 -6.024 15.945 -3.293 1.00 0.00 H ATOM 354 HB2 LYS B 11 -7.310 14.072 -2.509 1.00 0.00 H ATOM 355 HB3 LYS B 11 -5.903 13.225 -1.910 1.00 0.00 H ATOM 356 HG2 LYS B 11 -7.103 14.019 0.010 1.00 0.00 H ATOM 357 HG3 LYS B 11 -5.572 14.836 -0.067 1.00 0.00 H ATOM 358 HD2 LYS B 11 -7.455 16.587 -1.495 1.00 0.00 H ATOM 359 HD3 LYS B 11 -8.352 15.918 -0.174 1.00 0.00 H ATOM 360 HE2 LYS B 11 -7.481 17.835 0.847 1.00 0.00 H ATOM 361 HE3 LYS B 11 -6.292 16.650 1.397 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -6.020 18.488 -1.022 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -5.162 18.697 0.313 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -4.898 17.417 -0.703 1.00 0.00 H ATOM 365 N ALA B 12 -3.229 14.762 -1.908 1.00 0.00 N ATOM 366 CA ALA B 12 -1.855 15.085 -1.478 1.00 0.00 C ATOM 367 C ALA B 12 -1.089 16.088 -2.420 1.00 0.00 C ATOM 368 O ALA B 12 -0.926 17.251 -2.036 1.00 0.00 O ATOM 369 CB ALA B 12 -1.194 13.707 -1.254 1.00 0.00 C ATOM 370 H ALA B 12 -3.550 13.796 -2.031 1.00 0.00 H ATOM 371 HA ALA B 12 -1.958 15.589 -0.498 1.00 0.00 H ATOM 372 HB1 ALA B 12 -0.132 13.800 -0.966 1.00 0.00 H ATOM 373 HB2 ALA B 12 -1.223 13.070 -2.156 1.00 0.00 H ATOM 374 HB3 ALA B 12 -1.702 13.171 -0.436 1.00 0.00 H ATOM 375 N ALA B 13 -0.718 15.649 -3.638 1.00 0.00 N ATOM 376 CA ALA B 13 -0.223 16.501 -4.753 1.00 0.00 C ATOM 377 C ALA B 13 -1.083 17.728 -5.225 1.00 0.00 C ATOM 378 O ALA B 13 -0.587 18.550 -5.999 1.00 0.00 O ATOM 379 CB ALA B 13 -0.044 15.490 -5.904 1.00 0.00 C ATOM 380 H ALA B 13 -0.535 14.649 -3.665 1.00 0.00 H ATOM 381 HA ALA B 13 0.765 16.912 -4.469 1.00 0.00 H ATOM 382 HB1 ALA B 13 0.615 14.644 -5.635 1.00 0.00 H ATOM 383 HB2 ALA B 13 -1.018 15.062 -6.214 1.00 0.00 H ATOM 384 HB3 ALA B 13 0.388 15.973 -6.798 1.00 0.00 H ATOM 385 N GLU B 14 -2.351 17.838 -4.787 1.00 0.00 N ATOM 386 CA GLU B 14 -3.165 19.102 -4.923 1.00 0.00 C ATOM 387 C GLU B 14 -2.509 20.188 -4.010 1.00 0.00 C ATOM 388 O GLU B 14 -2.241 21.303 -4.471 1.00 0.00 O ATOM 389 CB GLU B 14 -4.680 18.799 -4.754 1.00 0.00 C ATOM 390 CG GLU B 14 -5.633 19.895 -4.181 1.00 0.00 C ATOM 391 CD GLU B 14 -6.033 19.688 -2.731 1.00 0.00 C ATOM 392 OE1 GLU B 14 -6.933 18.863 -2.470 1.00 0.00 O ATOM 393 OE2 GLU B 14 -5.417 20.263 -1.814 1.00 0.00 O ATOM 394 H GLU B 14 -2.569 17.078 -4.101 1.00 0.00 H ATOM 395 HA GLU B 14 -3.044 19.486 -5.955 1.00 0.00 H ATOM 396 HB2 GLU B 14 -5.031 18.504 -5.760 1.00 0.00 H ATOM 397 HB3 GLU B 14 -4.813 17.875 -4.172 1.00 0.00 H ATOM 398 HG2 GLU B 14 -5.206 20.909 -4.281 1.00 0.00 H ATOM 399 HG3 GLU B 14 -6.573 19.917 -4.757 1.00 0.00 H ATOM 400 N ALA B 15 -2.224 19.841 -2.736 1.00 0.00 N ATOM 401 CA ALA B 15 -1.245 20.630 -1.954 1.00 0.00 C ATOM 402 C ALA B 15 0.167 19.996 -2.359 1.00 0.00 C ATOM 403 O ALA B 15 0.605 20.087 -3.508 1.00 0.00 O ATOM 404 CB ALA B 15 -1.747 20.604 -0.491 1.00 0.00 C ATOM 405 H ALA B 15 -2.645 18.925 -2.460 1.00 0.00 H ATOM 406 HA ALA B 15 -1.228 21.685 -2.286 1.00 0.00 H ATOM 407 HB1 ALA B 15 -2.757 21.056 -0.410 1.00 0.00 H ATOM 408 HB2 ALA B 15 -1.086 21.190 0.173 1.00 0.00 H ATOM 409 HB3 ALA B 15 -1.814 19.580 -0.080 1.00 0.00 H ATOM 410 N GLY B 16 0.960 19.493 -1.416 1.00 0.00 N ATOM 411 CA GLY B 16 2.144 18.590 -1.684 1.00 0.00 C ATOM 412 C GLY B 16 1.822 17.165 -1.208 1.00 0.00 C ATOM 413 O GLY B 16 1.909 16.167 -1.925 1.00 0.00 O ATOM 414 H GLY B 16 0.234 18.925 -0.945 1.00 0.00 H ATOM 415 HA2 GLY B 16 2.301 18.458 -2.778 1.00 0.00 H ATOM 416 HA3 GLY B 16 3.081 18.928 -1.239 1.00 0.00 H ATOM 417 N CYS B 17 1.487 17.143 0.090 1.00 0.00 N ATOM 418 CA CYS B 17 0.799 16.045 0.763 1.00 0.00 C ATOM 419 C CYS B 17 0.036 16.664 1.991 1.00 0.00 C ATOM 420 O CYS B 17 0.486 17.580 2.682 1.00 0.00 O ATOM 421 CB CYS B 17 1.784 14.926 1.142 1.00 0.00 C ATOM 422 SG CYS B 17 2.947 15.467 2.416 1.00 0.00 S ATOM 423 H CYS B 17 1.669 18.007 0.601 1.00 0.00 H ATOM 424 HA CYS B 17 0.040 15.733 0.001 1.00 0.00 H ATOM 425 HB2 CYS B 17 1.226 14.054 1.518 1.00 0.00 H ATOM 426 HB3 CYS B 17 2.349 14.589 0.256 1.00 0.00 H HETATM 427 N NH2 B 18 -1.180 16.291 2.299 1.00 0.00 N HETATM 428 HN1 NH2 B 18 -1.324 15.261 2.220 1.00 0.00 H HETATM 429 HN2 NH2 B 18 -1.454 16.777 3.153 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -0.698 5.885 -0.696 1.00 0.00 CO HETATM 432 C PC3 A 20 3.289 7.415 -1.451 1.00 0.00 C HETATM 433 C1 PC3 A 20 2.747 8.527 -0.697 1.00 0.00 C HETATM 434 C2A PC3 A 20 1.405 8.144 -0.411 1.00 0.00 C HETATM 435 N2B PC3 A 20 1.061 6.892 -0.876 1.00 0.00 N HETATM 436 C2C PC3 A 20 2.199 6.468 -1.514 1.00 0.00 C HETATM 437 CA PC3 A 20 0.456 8.966 0.299 1.00 0.00 C HETATM 438 C4C PC3 A 20 -0.944 8.722 0.571 1.00 0.00 C HETATM 439 C2 PC3 A 20 -1.816 9.658 1.183 1.00 0.00 C HETATM 440 C3 PC3 A 20 -3.085 8.986 1.290 1.00 0.00 C HETATM 441 C4A PC3 A 20 -2.854 7.728 0.675 1.00 0.00 C HETATM 442 N4B PC3 A 20 -1.551 7.530 0.243 1.00 0.00 N HETATM 443 CB PC3 A 20 -3.866 6.719 0.506 1.00 0.00 C HETATM 444 C6C PC3 A 20 -3.741 5.430 -0.093 1.00 0.00 C HETATM 445 C4 PC3 A 20 -4.808 4.528 -0.212 1.00 0.00 C HETATM 446 C5 PC3 A 20 -4.249 3.373 -0.825 1.00 0.00 C HETATM 447 C6A PC3 A 20 -2.894 3.698 -0.979 1.00 0.00 C HETATM 448 N6B PC3 A 20 -2.555 4.971 -0.606 1.00 0.00 N HETATM 449 CC PC3 A 20 -1.926 2.786 -1.470 1.00 0.00 C HETATM 450 C8C PC3 A 20 -0.593 3.040 -1.947 1.00 0.00 C HETATM 451 C6 PC3 A 20 0.182 2.127 -2.725 1.00 0.00 C HETATM 452 C7 PC3 A 20 1.469 2.803 -2.849 1.00 0.00 C HETATM 453 C8A PC3 A 20 1.277 4.083 -2.229 1.00 0.00 C HETATM 454 N8B PC3 A 20 0.034 4.233 -1.668 1.00 0.00 N HETATM 455 CD PC3 A 20 2.257 5.160 -2.179 1.00 0.00 C HETATM 456 C8 PC3 A 20 -4.355 9.539 1.955 1.00 0.00 C HETATM 457 C9 PC3 A 20 3.505 9.769 -0.227 1.00 0.00 C HETATM 458 C10 PC3 A 20 2.697 2.275 -3.592 1.00 0.00 C HETATM 459 C11 PC3 A 20 -4.924 2.070 -1.179 1.00 0.00 C HETATM 460 C12 PC3 A 20 -1.571 11.127 1.451 1.00 0.00 C HETATM 461 CX5 PC3 A 20 -1.246 11.490 2.909 1.00 0.00 C HETATM 462 C14 PC3 A 20 4.780 7.014 -1.474 1.00 0.00 C HETATM 463 C15 PC3 A 20 5.216 6.299 -0.154 1.00 0.00 C HETATM 464 C16 PC3 A 20 -0.255 0.857 -3.517 1.00 0.00 C HETATM 465 C17 PC3 A 20 -1.781 0.536 -3.688 1.00 0.00 C HETATM 466 C18 PC3 A 20 -6.162 4.737 0.377 1.00 0.00 C HETATM 467 C19 PC3 A 20 -5.900 5.071 1.847 1.00 0.00 C HETATM 468 C21 PC3 A 20 4.289 5.178 0.299 1.00 0.00 C HETATM 469 O1 PC3 A 20 3.335 5.472 1.049 1.00 0.00 O HETATM 470 O2 PC3 A 20 4.357 4.056 -0.238 1.00 0.00 O HETATM 471 C22 PC3 A 20 -1.108 12.996 3.034 1.00 0.00 C HETATM 472 O3 PC3 A 20 -0.062 13.463 3.511 1.00 0.00 O HETATM 473 O22 PC3 A 20 -2.047 13.705 2.619 1.00 0.00 O HETATM 474 C23 PC3 A 20 -7.159 5.418 2.594 1.00 0.00 C HETATM 475 O23 PC3 A 20 -7.724 4.532 3.260 1.00 0.00 O HETATM 476 O4 PC3 A 20 -7.548 6.601 2.539 1.00 0.00 O HETATM 477 C24 PC3 A 20 -2.437 0.530 -5.044 1.00 0.00 C HETATM 478 O5 PC3 A 20 -3.471 -0.146 -5.162 1.00 0.00 O HETATM 479 O6 PC3 A 20 -2.051 1.335 -5.913 1.00 0.00 O HETATM 480 HA PC3 A 20 0.831 9.930 0.626 1.00 0.00 H HETATM 481 HB PC3 A 20 -4.856 6.969 0.875 1.00 0.00 H HETATM 482 HC PC3 A 20 -2.259 1.757 -1.475 1.00 0.00 H HETATM 483 HD PC3 A 20 3.220 4.920 -2.612 1.00 0.00 H HETATM 484 H81 PC3 A 20 -5.265 8.937 1.770 1.00 0.00 H HETATM 485 H82 PC3 A 20 -4.237 9.593 3.055 1.00 0.00 H HETATM 486 H83 PC3 A 20 -4.578 10.571 1.627 1.00 0.00 H HETATM 487 H91 PC3 A 20 3.343 10.635 -0.896 1.00 0.00 H HETATM 488 H92 PC3 A 20 4.597 9.594 -0.184 1.00 0.00 H HETATM 489 H93 PC3 A 20 3.205 10.084 0.789 1.00 0.00 H HETATM 490 H101 PC3 A 20 2.426 1.672 -4.476 1.00 0.00 H HETATM 491 H102 PC3 A 20 3.309 1.625 -2.935 1.00 0.00 H HETATM 492 H103 PC3 A 20 3.362 3.076 -3.963 1.00 0.00 H HETATM 493 H111 PC3 A 20 -5.873 2.261 -1.716 1.00 0.00 H HETATM 494 H112 PC3 A 20 -4.304 1.441 -1.843 1.00 0.00 H HETATM 495 H113 PC3 A 20 -5.181 1.479 -0.280 1.00 0.00 H HETATM 496 H121 PC3 A 20 -2.473 11.692 1.141 1.00 0.00 H HETATM 497 H122 PC3 A 20 -0.764 11.518 0.803 1.00 0.00 H HETATM 498 H221 PC3 A 20 -2.046 11.173 3.601 1.00 0.00 H HETATM 499 H222 PC3 A 20 -0.314 11.016 3.264 1.00 0.00 H HETATM 500 H141 PC3 A 20 4.988 6.342 -2.329 1.00 0.00 H HETATM 501 H142 PC3 A 20 5.418 7.900 -1.644 1.00 0.00 H HETATM 502 H151 PC3 A 20 5.293 7.022 0.678 1.00 0.00 H HETATM 503 H152 PC3 A 20 6.227 5.869 -0.259 1.00 0.00 H HETATM 504 H161 PC3 A 20 0.184 0.911 -4.534 1.00 0.00 H HETATM 505 H162 PC3 A 20 0.239 -0.032 -3.082 1.00 0.00 H HETATM 506 H171 PC3 A 20 -2.079 -0.376 -3.138 1.00 0.00 H HETATM 507 H172 PC3 A 20 -2.412 1.341 -3.326 1.00 0.00 H HETATM 508 H181 PC3 A 20 -6.795 3.833 0.289 1.00 0.00 H HETATM 509 H182 PC3 A 20 -6.708 5.555 -0.134 1.00 0.00 H HETATM 510 H192 PC3 A 20 -5.421 4.225 2.368 1.00 0.00 H HETATM 511 H191 PC3 A 20 -5.224 5.936 1.942 1.00 0.00 H