HETATM 1 C ACE A 0 -1.701 -5.403 -0.255 1.00 0.00 C HETATM 2 O ACE A 0 -1.793 -6.609 -0.058 1.00 0.00 O HETATM 3 CH3 ACE A 0 -0.334 -4.744 -0.344 1.00 0.00 C HETATM 4 H1 ACE A 0 0.458 -5.403 0.049 1.00 0.00 H HETATM 5 H2 ACE A 0 -0.287 -3.790 0.209 1.00 0.00 H HETATM 6 H3 ACE A 0 -0.080 -4.516 -1.396 1.00 0.00 H ATOM 7 N CYS A 1 -2.852 -4.750 -0.366 1.00 0.00 N ATOM 8 CA CYS A 1 -2.973 -3.250 -0.510 1.00 0.00 C ATOM 9 C CYS A 1 -3.252 -2.443 0.821 1.00 0.00 C ATOM 10 O CYS A 1 -3.410 -1.223 0.736 1.00 0.00 O ATOM 11 CB CYS A 1 -4.133 -3.091 -1.521 1.00 0.00 C ATOM 12 SG CYS A 1 -3.629 -3.735 -3.128 1.00 0.00 S ATOM 13 H CYS A 1 -3.637 -5.422 -0.307 1.00 0.00 H ATOM 14 HA CYS A 1 -2.076 -2.744 -0.989 1.00 0.00 H ATOM 15 HB2 CYS A 1 -5.065 -3.587 -1.189 1.00 0.00 H ATOM 16 HB3 CYS A 1 -4.388 -2.024 -1.659 1.00 0.00 H ATOM 17 N GLY A 2 -3.334 -3.057 2.028 1.00 0.00 N ATOM 18 CA GLY A 2 -3.688 -2.339 3.291 1.00 0.00 C ATOM 19 C GLY A 2 -2.571 -2.179 4.345 1.00 0.00 C ATOM 20 O GLY A 2 -2.323 -1.063 4.789 1.00 0.00 O ATOM 21 H GLY A 2 -3.171 -4.072 2.010 1.00 0.00 H ATOM 22 HA2 GLY A 2 -4.093 -1.328 3.081 1.00 0.00 H ATOM 23 HA3 GLY A 2 -4.532 -2.861 3.776 1.00 0.00 H ATOM 24 N ALA A 3 -1.930 -3.268 4.805 1.00 0.00 N ATOM 25 CA ALA A 3 -0.837 -3.196 5.816 1.00 0.00 C ATOM 26 C ALA A 3 0.576 -2.775 5.297 1.00 0.00 C ATOM 27 O ALA A 3 1.254 -1.991 5.963 1.00 0.00 O ATOM 28 CB ALA A 3 -0.837 -4.560 6.494 1.00 0.00 C ATOM 29 H ALA A 3 -2.146 -4.146 4.331 1.00 0.00 H ATOM 30 HA ALA A 3 -1.112 -2.444 6.586 1.00 0.00 H ATOM 31 HB1 ALA A 3 -0.576 -5.360 5.777 1.00 0.00 H ATOM 32 HB2 ALA A 3 -1.825 -4.782 6.935 1.00 0.00 H ATOM 33 HB3 ALA A 3 -0.091 -4.570 7.307 1.00 0.00 H ATOM 34 N GLU A 4 1.042 -3.273 4.141 1.00 0.00 N ATOM 35 CA GLU A 4 2.235 -2.697 3.450 1.00 0.00 C ATOM 36 C GLU A 4 2.045 -1.183 3.041 1.00 0.00 C ATOM 37 O GLU A 4 2.928 -0.344 3.244 1.00 0.00 O ATOM 38 CB GLU A 4 2.548 -3.585 2.245 1.00 0.00 C ATOM 39 CG GLU A 4 3.118 -5.011 2.519 1.00 0.00 C ATOM 40 CD GLU A 4 4.524 -5.052 3.084 1.00 0.00 C ATOM 41 OE1 GLU A 4 4.732 -4.697 4.261 1.00 0.00 O ATOM 42 OE2 GLU A 4 5.475 -5.311 2.324 1.00 0.00 O ATOM 43 H GLU A 4 0.567 -4.094 3.754 1.00 0.00 H ATOM 44 HA GLU A 4 3.109 -2.763 4.105 1.00 0.00 H ATOM 45 HB2 GLU A 4 1.619 -3.633 1.653 1.00 0.00 H ATOM 46 HB3 GLU A 4 3.271 -3.014 1.641 1.00 0.00 H ATOM 47 HG2 GLU A 4 2.471 -5.585 3.201 1.00 0.00 H ATOM 48 HG3 GLU A 4 3.137 -5.587 1.576 1.00 0.00 H ATOM 49 N ALA A 5 0.854 -0.844 2.508 1.00 0.00 N ATOM 50 CA ALA A 5 0.391 0.564 2.347 1.00 0.00 C ATOM 51 C ALA A 5 0.382 1.371 3.685 1.00 0.00 C ATOM 52 O ALA A 5 0.894 2.483 3.678 1.00 0.00 O ATOM 53 CB ALA A 5 -1.044 0.455 1.818 1.00 0.00 C ATOM 54 H ALA A 5 0.246 -1.680 2.467 1.00 0.00 H ATOM 55 HA ALA A 5 1.018 1.148 1.616 1.00 0.00 H ATOM 56 HB1 ALA A 5 -1.696 -0.095 2.526 1.00 0.00 H ATOM 57 HB2 ALA A 5 -1.097 -0.078 0.855 1.00 0.00 H ATOM 58 HB3 ALA A 5 -1.515 1.441 1.700 1.00 0.00 H ATOM 59 N ALA A 6 -0.168 0.856 4.803 1.00 0.00 N ATOM 60 CA ALA A 6 -0.009 1.470 6.149 1.00 0.00 C ATOM 61 C ALA A 6 1.463 1.656 6.665 1.00 0.00 C ATOM 62 O ALA A 6 1.749 2.701 7.251 1.00 0.00 O ATOM 63 CB ALA A 6 -0.706 0.509 7.093 1.00 0.00 C ATOM 64 H ALA A 6 -0.629 -0.068 4.689 1.00 0.00 H ATOM 65 HA ALA A 6 -0.577 2.441 6.192 1.00 0.00 H ATOM 66 HB1 ALA A 6 -0.677 0.913 8.117 1.00 0.00 H ATOM 67 HB2 ALA A 6 -0.173 -0.458 7.115 1.00 0.00 H ATOM 68 HB3 ALA A 6 -1.749 0.336 6.792 1.00 0.00 H ATOM 69 N LYS A 7 2.377 0.668 6.476 1.00 0.00 N ATOM 70 CA LYS A 7 3.849 0.867 6.710 1.00 0.00 C ATOM 71 C LYS A 7 4.455 2.080 5.913 1.00 0.00 C ATOM 72 O LYS A 7 5.172 2.905 6.484 1.00 0.00 O ATOM 73 CB LYS A 7 4.485 -0.514 6.369 1.00 0.00 C ATOM 74 CG LYS A 7 6.032 -0.605 6.271 1.00 0.00 C ATOM 75 CD LYS A 7 6.504 -1.813 5.430 1.00 0.00 C ATOM 76 CE LYS A 7 6.321 -1.624 3.902 1.00 0.00 C ATOM 77 NZ LYS A 7 6.653 -2.908 3.237 1.00 0.00 N ATOM 78 H LYS A 7 2.010 -0.209 6.038 1.00 0.00 H ATOM 79 HA LYS A 7 4.011 1.116 7.784 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.122 -1.270 7.093 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.056 -0.856 5.409 1.00 0.00 H ATOM 82 HG2 LYS A 7 6.467 0.323 5.847 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.454 -0.659 7.295 1.00 0.00 H ATOM 84 HD2 LYS A 7 7.573 -2.002 5.655 1.00 0.00 H ATOM 85 HD3 LYS A 7 5.973 -2.725 5.781 1.00 0.00 H ATOM 86 HE2 LYS A 7 5.278 -1.324 3.653 1.00 0.00 H ATOM 87 HE3 LYS A 7 6.947 -0.783 3.524 1.00 0.00 H ATOM 88 HZ1 LYS A 7 6.490 -2.956 2.220 1.00 0.00 H ATOM 89 HZ2 LYS A 7 5.994 -3.673 3.537 1.00 0.00 H ATOM 90 HZ3 LYS A 7 7.571 -3.314 3.430 1.00 0.00 H ATOM 91 N ALA A 8 4.156 2.179 4.608 1.00 0.00 N ATOM 92 CA ALA A 8 4.415 3.395 3.798 1.00 0.00 C ATOM 93 C ALA A 8 3.728 4.704 4.336 1.00 0.00 C ATOM 94 O ALA A 8 4.376 5.737 4.467 1.00 0.00 O ATOM 95 CB ALA A 8 3.890 3.047 2.417 1.00 0.00 C ATOM 96 H ALA A 8 3.632 1.374 4.241 1.00 0.00 H ATOM 97 HA ALA A 8 5.501 3.550 3.646 1.00 0.00 H ATOM 98 HB1 ALA A 8 4.201 3.838 1.724 1.00 0.00 H ATOM 99 HB2 ALA A 8 2.793 2.999 2.408 1.00 0.00 H ATOM 100 HB3 ALA A 8 4.312 2.098 2.057 1.00 0.00 H ATOM 101 N HIS A 9 2.420 4.662 4.679 1.00 0.00 N ATOM 102 CA HIS A 9 1.714 5.771 5.393 1.00 0.00 C ATOM 103 C HIS A 9 2.412 6.272 6.712 1.00 0.00 C ATOM 104 O HIS A 9 2.704 7.469 6.770 1.00 0.00 O ATOM 105 CB HIS A 9 0.227 5.317 5.472 1.00 0.00 C ATOM 106 CG HIS A 9 -0.596 5.009 4.190 1.00 0.00 C ATOM 107 ND1 HIS A 9 -1.613 4.040 4.170 1.00 0.00 N ATOM 108 CD2 HIS A 9 -0.379 5.483 2.911 1.00 0.00 C ATOM 109 CE1 HIS A 9 -2.018 4.044 2.816 1.00 0.00 C ATOM 110 NE2 HIS A 9 -1.303 4.942 2.097 1.00 0.00 N ATOM 111 H HIS A 9 1.975 3.724 4.575 1.00 0.00 H ATOM 112 HA HIS A 9 1.784 6.693 4.792 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.228 4.413 6.103 1.00 0.00 H ATOM 114 HB3 HIS A 9 -0.322 6.068 6.052 1.00 0.00 H ATOM 115 HD1 HIS A 9 -2.075 3.551 4.944 1.00 0.00 H ATOM 116 HD2 HIS A 9 0.389 6.166 2.581 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.802 3.378 2.457 1.00 0.00 H ATOM 118 N ALA A 10 2.743 5.416 7.704 1.00 0.00 N ATOM 119 CA ALA A 10 3.675 5.767 8.807 1.00 0.00 C ATOM 120 C ALA A 10 5.068 6.350 8.368 1.00 0.00 C ATOM 121 O ALA A 10 5.462 7.427 8.828 1.00 0.00 O ATOM 122 CB ALA A 10 3.817 4.421 9.559 1.00 0.00 C ATOM 123 H ALA A 10 2.070 4.683 7.952 1.00 0.00 H ATOM 124 HA ALA A 10 3.208 6.515 9.469 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.495 4.515 10.426 1.00 0.00 H ATOM 126 HB2 ALA A 10 4.255 3.632 8.911 1.00 0.00 H ATOM 127 HB3 ALA A 10 2.854 4.029 9.932 1.00 0.00 H ATOM 128 N LYS A 11 5.769 5.669 7.431 1.00 0.00 N ATOM 129 CA LYS A 11 7.061 6.178 6.871 1.00 0.00 C ATOM 130 C LYS A 11 7.033 7.632 6.279 1.00 0.00 C ATOM 131 O LYS A 11 7.934 8.436 6.555 1.00 0.00 O ATOM 132 CB LYS A 11 7.597 5.103 5.881 1.00 0.00 C ATOM 133 CG LYS A 11 8.915 5.433 5.139 1.00 0.00 C ATOM 134 CD LYS A 11 10.156 5.643 6.052 1.00 0.00 C ATOM 135 CE LYS A 11 11.146 6.718 5.562 1.00 0.00 C ATOM 136 NZ LYS A 11 11.735 6.309 4.252 1.00 0.00 N ATOM 137 H LYS A 11 5.161 4.986 6.936 1.00 0.00 H ATOM 138 HA LYS A 11 7.760 6.238 7.728 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.689 4.132 6.404 1.00 0.00 H ATOM 140 HB3 LYS A 11 6.822 4.933 5.106 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.114 4.633 4.399 1.00 0.00 H ATOM 142 HG3 LYS A 11 8.719 6.329 4.511 1.00 0.00 H ATOM 143 HD2 LYS A 11 9.829 5.961 7.063 1.00 0.00 H ATOM 144 HD3 LYS A 11 10.654 4.672 6.245 1.00 0.00 H ATOM 145 HE2 LYS A 11 10.616 7.699 5.494 1.00 0.00 H ATOM 146 HE3 LYS A 11 11.931 6.879 6.338 1.00 0.00 H ATOM 147 HZ1 LYS A 11 12.428 6.966 3.872 1.00 0.00 H ATOM 148 HZ2 LYS A 11 11.001 6.218 3.533 1.00 0.00 H ATOM 149 HZ3 LYS A 11 12.180 5.384 4.291 1.00 0.00 H ATOM 150 N ALA A 12 6.014 7.945 5.467 1.00 0.00 N ATOM 151 CA ALA A 12 5.711 9.324 5.050 1.00 0.00 C ATOM 152 C ALA A 12 5.275 10.233 6.246 1.00 0.00 C ATOM 153 O ALA A 12 6.038 11.105 6.617 1.00 0.00 O ATOM 154 CB ALA A 12 4.712 9.252 3.891 1.00 0.00 C ATOM 155 H ALA A 12 5.480 7.130 5.133 1.00 0.00 H ATOM 156 HA ALA A 12 6.641 9.750 4.638 1.00 0.00 H ATOM 157 HB1 ALA A 12 5.220 8.833 3.003 1.00 0.00 H ATOM 158 HB2 ALA A 12 3.834 8.625 4.135 1.00 0.00 H ATOM 159 HB3 ALA A 12 4.334 10.242 3.595 1.00 0.00 H ATOM 160 N ALA A 13 4.141 10.047 6.910 1.00 0.00 N ATOM 161 CA ALA A 13 3.770 10.742 8.197 1.00 0.00 C ATOM 162 C ALA A 13 4.893 11.139 9.246 1.00 0.00 C ATOM 163 O ALA A 13 4.790 12.149 9.945 1.00 0.00 O ATOM 164 CB ALA A 13 2.671 9.842 8.773 1.00 0.00 C ATOM 165 H ALA A 13 3.520 9.448 6.372 1.00 0.00 H ATOM 166 HA ALA A 13 3.293 11.702 7.933 1.00 0.00 H ATOM 167 HB1 ALA A 13 2.234 10.276 9.686 1.00 0.00 H ATOM 168 HB2 ALA A 13 3.073 8.843 9.023 1.00 0.00 H ATOM 169 HB3 ALA A 13 1.847 9.695 8.046 1.00 0.00 H ATOM 170 N GLU A 14 5.945 10.319 9.282 1.00 0.00 N ATOM 171 CA GLU A 14 7.248 10.603 9.951 1.00 0.00 C ATOM 172 C GLU A 14 8.192 11.538 9.077 1.00 0.00 C ATOM 173 O GLU A 14 8.420 12.692 9.448 1.00 0.00 O ATOM 174 CB GLU A 14 7.837 9.204 10.307 1.00 0.00 C ATOM 175 CG GLU A 14 9.208 9.197 11.045 1.00 0.00 C ATOM 176 CD GLU A 14 9.265 8.373 12.318 1.00 0.00 C ATOM 177 OE1 GLU A 14 9.342 7.131 12.219 1.00 0.00 O ATOM 178 OE2 GLU A 14 9.268 8.968 13.413 1.00 0.00 O ATOM 179 H GLU A 14 5.801 9.636 8.524 1.00 0.00 H ATOM 180 HA GLU A 14 7.061 11.132 10.906 1.00 0.00 H ATOM 181 HB2 GLU A 14 7.091 8.657 10.921 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.927 8.582 9.397 1.00 0.00 H ATOM 183 HG2 GLU A 14 9.998 8.793 10.395 1.00 0.00 H ATOM 184 HG3 GLU A 14 9.537 10.215 11.314 1.00 0.00 H ATOM 185 N ALA A 15 8.752 11.070 7.933 1.00 0.00 N ATOM 186 CA ALA A 15 9.600 11.911 7.015 1.00 0.00 C ATOM 187 C ALA A 15 8.885 12.657 5.813 1.00 0.00 C ATOM 188 O ALA A 15 9.198 13.813 5.516 1.00 0.00 O ATOM 189 CB ALA A 15 10.743 10.984 6.554 1.00 0.00 C ATOM 190 H ALA A 15 8.530 10.077 7.782 1.00 0.00 H ATOM 191 HA ALA A 15 10.070 12.722 7.609 1.00 0.00 H ATOM 192 HB1 ALA A 15 11.300 10.569 7.416 1.00 0.00 H ATOM 193 HB2 ALA A 15 10.365 10.140 5.951 1.00 0.00 H ATOM 194 HB3 ALA A 15 11.475 11.538 5.937 1.00 0.00 H ATOM 195 N GLY A 16 8.015 11.964 5.063 1.00 0.00 N ATOM 196 CA GLY A 16 7.058 12.564 4.083 1.00 0.00 C ATOM 197 C GLY A 16 5.839 13.275 4.729 1.00 0.00 C ATOM 198 O GLY A 16 5.997 14.214 5.509 1.00 0.00 O ATOM 199 H GLY A 16 7.664 11.198 5.651 1.00 0.00 H ATOM 200 HA2 GLY A 16 7.539 13.244 3.385 1.00 0.00 H ATOM 201 HA3 GLY A 16 6.659 11.707 3.497 1.00 0.00 H ATOM 202 N CYS A 17 4.617 12.808 4.404 1.00 0.00 N ATOM 203 CA CYS A 17 3.401 13.182 5.150 1.00 0.00 C ATOM 204 C CYS A 17 2.247 12.186 4.887 1.00 0.00 C ATOM 205 O CYS A 17 1.749 11.458 5.748 1.00 0.00 O ATOM 206 CB CYS A 17 2.956 14.596 4.715 1.00 0.00 C ATOM 207 SG CYS A 17 2.312 14.552 3.023 1.00 0.00 S ATOM 208 H CYS A 17 4.596 12.144 3.634 1.00 0.00 H ATOM 209 HA CYS A 17 3.666 13.072 6.241 1.00 0.00 H ATOM 210 HB2 CYS A 17 2.161 14.960 5.387 1.00 0.00 H ATOM 211 HB3 CYS A 17 3.786 15.324 4.779 1.00 0.00 H HETATM 212 N NH2 A 18 1.802 12.201 3.648 1.00 0.00 N HETATM 213 HN1 NH2 A 18 2.237 12.818 2.954 1.00 0.00 H HETATM 214 HN2 NH2 A 18 1.019 11.595 3.377 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -2.156 1.385 -4.834 1.00 0.00 C HETATM 217 O ACE B 0 -2.116 2.277 -3.988 1.00 0.00 O HETATM 218 CH3 ACE B 0 -0.899 1.066 -5.630 1.00 0.00 C HETATM 219 H1 ACE B 0 -0.543 0.044 -5.395 1.00 0.00 H HETATM 220 H2 ACE B 0 -0.076 1.759 -5.388 1.00 0.00 H HETATM 221 H3 ACE B 0 -1.080 1.124 -6.718 1.00 0.00 H ATOM 222 N CYS B 1 -3.320 0.756 -5.003 1.00 0.00 N ATOM 223 CA CYS B 1 -3.562 -0.326 -6.025 1.00 0.00 C ATOM 224 C CYS B 1 -4.351 0.094 -7.327 1.00 0.00 C ATOM 225 O CYS B 1 -4.265 -0.653 -8.305 1.00 0.00 O ATOM 226 CB CYS B 1 -4.158 -1.525 -5.253 1.00 0.00 C ATOM 227 SG CYS B 1 -2.863 -2.243 -4.214 1.00 0.00 S ATOM 228 H CYS B 1 -4.000 1.021 -4.272 1.00 0.00 H ATOM 229 HA CYS B 1 -2.603 -0.722 -6.450 1.00 0.00 H ATOM 230 HB2 CYS B 1 -5.034 -1.274 -4.628 1.00 0.00 H ATOM 231 HB3 CYS B 1 -4.487 -2.330 -5.940 1.00 0.00 H ATOM 232 N GLY B 2 -5.074 1.238 -7.430 1.00 0.00 N ATOM 233 CA GLY B 2 -5.589 1.714 -8.733 1.00 0.00 C ATOM 234 C GLY B 2 -6.255 3.102 -8.646 1.00 0.00 C ATOM 235 O GLY B 2 -5.554 4.109 -8.692 1.00 0.00 O ATOM 236 H GLY B 2 -5.206 1.829 -6.606 1.00 0.00 H ATOM 237 HA2 GLY B 2 -4.732 1.801 -9.436 1.00 0.00 H ATOM 238 HA3 GLY B 2 -6.249 0.960 -9.199 1.00 0.00 H ATOM 239 N ALA B 3 -7.584 3.178 -8.515 1.00 0.00 N ATOM 240 CA ALA B 3 -8.339 4.457 -8.666 1.00 0.00 C ATOM 241 C ALA B 3 -8.635 5.283 -7.378 1.00 0.00 C ATOM 242 O ALA B 3 -8.416 6.498 -7.418 1.00 0.00 O ATOM 243 CB ALA B 3 -9.604 4.038 -9.412 1.00 0.00 C ATOM 244 H ALA B 3 -8.048 2.330 -8.185 1.00 0.00 H ATOM 245 HA ALA B 3 -7.756 5.155 -9.321 1.00 0.00 H ATOM 246 HB1 ALA B 3 -10.210 3.335 -8.810 1.00 0.00 H ATOM 247 HB2 ALA B 3 -10.224 4.921 -9.636 1.00 0.00 H ATOM 248 HB3 ALA B 3 -9.355 3.547 -10.371 1.00 0.00 H ATOM 249 N GLU B 4 -9.134 4.702 -6.256 1.00 0.00 N ATOM 250 CA GLU B 4 -9.138 5.430 -4.938 1.00 0.00 C ATOM 251 C GLU B 4 -7.701 5.882 -4.525 1.00 0.00 C ATOM 252 O GLU B 4 -7.486 7.067 -4.261 1.00 0.00 O ATOM 253 CB GLU B 4 -9.895 4.630 -3.847 1.00 0.00 C ATOM 254 CG GLU B 4 -10.243 5.438 -2.557 1.00 0.00 C ATOM 255 CD GLU B 4 -9.214 5.507 -1.432 1.00 0.00 C ATOM 256 OE1 GLU B 4 -8.127 6.099 -1.599 1.00 0.00 O ATOM 257 OE2 GLU B 4 -9.518 4.987 -0.345 1.00 0.00 O ATOM 258 H GLU B 4 -9.561 3.779 -6.366 1.00 0.00 H ATOM 259 HA GLU B 4 -9.683 6.369 -5.097 1.00 0.00 H ATOM 260 HB2 GLU B 4 -10.848 4.265 -4.275 1.00 0.00 H ATOM 261 HB3 GLU B 4 -9.338 3.712 -3.575 1.00 0.00 H ATOM 262 HG2 GLU B 4 -10.522 6.478 -2.786 1.00 0.00 H ATOM 263 HG3 GLU B 4 -11.146 5.001 -2.093 1.00 0.00 H ATOM 264 N ALA B 5 -6.707 4.976 -4.638 1.00 0.00 N ATOM 265 CA ALA B 5 -5.274 5.364 -4.571 1.00 0.00 C ATOM 266 C ALA B 5 -4.914 6.531 -5.517 1.00 0.00 C ATOM 267 O ALA B 5 -4.381 7.507 -5.011 1.00 0.00 O ATOM 268 CB ALA B 5 -4.442 4.171 -5.043 1.00 0.00 C ATOM 269 H ALA B 5 -7.080 4.155 -5.138 1.00 0.00 H ATOM 270 HA ALA B 5 -4.965 5.680 -3.537 1.00 0.00 H ATOM 271 HB1 ALA B 5 -4.556 3.312 -4.375 1.00 0.00 H ATOM 272 HB2 ALA B 5 -4.731 3.881 -6.073 1.00 0.00 H ATOM 273 HB3 ALA B 5 -3.374 4.443 -5.121 1.00 0.00 H ATOM 274 N ALA B 6 -5.198 6.478 -6.832 1.00 0.00 N ATOM 275 CA ALA B 6 -4.823 7.577 -7.734 1.00 0.00 C ATOM 276 C ALA B 6 -5.382 9.007 -7.345 1.00 0.00 C ATOM 277 O ALA B 6 -4.630 9.975 -7.231 1.00 0.00 O ATOM 278 CB ALA B 6 -5.369 7.179 -9.096 1.00 0.00 C ATOM 279 H ALA B 6 -5.713 5.653 -7.193 1.00 0.00 H ATOM 280 HA ALA B 6 -3.712 7.495 -7.743 1.00 0.00 H ATOM 281 HB1 ALA B 6 -6.463 7.020 -9.032 1.00 0.00 H ATOM 282 HB2 ALA B 6 -4.887 6.260 -9.452 1.00 0.00 H ATOM 283 HB3 ALA B 6 -5.188 7.989 -9.818 1.00 0.00 H ATOM 284 N LYS B 7 -6.710 9.076 -7.115 1.00 0.00 N ATOM 285 CA LYS B 7 -7.434 10.235 -6.522 1.00 0.00 C ATOM 286 C LYS B 7 -6.896 10.733 -5.136 1.00 0.00 C ATOM 287 O LYS B 7 -6.655 11.930 -4.976 1.00 0.00 O ATOM 288 CB LYS B 7 -8.906 9.715 -6.468 1.00 0.00 C ATOM 289 CG LYS B 7 -9.977 10.685 -5.922 1.00 0.00 C ATOM 290 CD LYS B 7 -11.351 9.977 -5.825 1.00 0.00 C ATOM 291 CE LYS B 7 -12.453 10.769 -5.100 1.00 0.00 C ATOM 292 NZ LYS B 7 -12.889 11.933 -5.925 1.00 0.00 N ATOM 293 H LYS B 7 -7.156 8.150 -7.190 1.00 0.00 H ATOM 294 HA LYS B 7 -7.331 11.099 -7.217 1.00 0.00 H ATOM 295 HB2 LYS B 7 -9.218 9.362 -7.473 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.923 8.794 -5.841 1.00 0.00 H ATOM 297 HG2 LYS B 7 -9.664 11.040 -4.918 1.00 0.00 H ATOM 298 HG3 LYS B 7 -10.018 11.588 -6.562 1.00 0.00 H ATOM 299 HD2 LYS B 7 -11.685 9.643 -6.830 1.00 0.00 H ATOM 300 HD3 LYS B 7 -11.206 9.026 -5.268 1.00 0.00 H ATOM 301 HE2 LYS B 7 -13.308 10.086 -4.879 1.00 0.00 H ATOM 302 HE3 LYS B 7 -12.089 11.082 -4.091 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -13.645 12.490 -5.503 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -13.217 11.654 -6.859 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -12.115 12.589 -6.099 1.00 0.00 H ATOM 306 N ALA B 8 -6.719 9.848 -4.139 1.00 0.00 N ATOM 307 CA ALA B 8 -5.983 10.165 -2.890 1.00 0.00 C ATOM 308 C ALA B 8 -4.502 10.632 -3.057 1.00 0.00 C ATOM 309 O ALA B 8 -4.037 11.477 -2.296 1.00 0.00 O ATOM 310 CB ALA B 8 -5.892 8.866 -2.107 1.00 0.00 C ATOM 311 H ALA B 8 -6.992 8.877 -4.354 1.00 0.00 H ATOM 312 HA ALA B 8 -6.564 10.871 -2.262 1.00 0.00 H ATOM 313 HB1 ALA B 8 -5.347 9.066 -1.170 1.00 0.00 H ATOM 314 HB2 ALA B 8 -5.323 8.105 -2.674 1.00 0.00 H ATOM 315 HB3 ALA B 8 -6.888 8.467 -1.871 1.00 0.00 H ATOM 316 N HIS B 9 -3.746 9.998 -3.975 1.00 0.00 N ATOM 317 CA HIS B 9 -2.311 10.306 -4.220 1.00 0.00 C ATOM 318 C HIS B 9 -2.142 11.724 -4.905 1.00 0.00 C ATOM 319 O HIS B 9 -1.307 12.514 -4.454 1.00 0.00 O ATOM 320 CB HIS B 9 -1.761 8.996 -4.849 1.00 0.00 C ATOM 321 CG HIS B 9 -1.699 7.726 -3.934 1.00 0.00 C ATOM 322 ND1 HIS B 9 -1.520 6.453 -4.482 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.939 7.626 -2.557 1.00 0.00 C ATOM 324 CE1 HIS B 9 -1.544 5.622 -3.340 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.722 6.335 -2.199 1.00 0.00 N ATOM 326 H HIS B 9 -4.268 9.364 -4.631 1.00 0.00 H ATOM 327 HA HIS B 9 -1.760 10.391 -3.263 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.362 8.769 -5.755 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.755 9.206 -5.238 1.00 0.00 H ATOM 330 HD1 HIS B 9 -1.456 6.207 -5.479 1.00 0.00 H ATOM 331 HD2 HIS B 9 -2.250 8.446 -1.910 1.00 0.00 H ATOM 332 HE1 HIS B 9 -1.438 4.547 -3.437 1.00 0.00 H ATOM 333 N ALA B 10 -2.993 12.066 -5.896 1.00 0.00 N ATOM 334 CA ALA B 10 -3.187 13.446 -6.408 1.00 0.00 C ATOM 335 C ALA B 10 -3.694 14.496 -5.346 1.00 0.00 C ATOM 336 O ALA B 10 -3.076 15.555 -5.186 1.00 0.00 O ATOM 337 CB ALA B 10 -4.227 13.240 -7.538 1.00 0.00 C ATOM 338 H ALA B 10 -3.360 11.294 -6.463 1.00 0.00 H ATOM 339 HA ALA B 10 -2.243 13.831 -6.827 1.00 0.00 H ATOM 340 HB1 ALA B 10 -5.183 12.826 -7.151 1.00 0.00 H ATOM 341 HB2 ALA B 10 -3.881 12.545 -8.325 1.00 0.00 H ATOM 342 HB3 ALA B 10 -4.488 14.194 -8.029 1.00 0.00 H ATOM 343 N LYS B 11 -4.776 14.180 -4.587 1.00 0.00 N ATOM 344 CA LYS B 11 -5.226 15.029 -3.425 1.00 0.00 C ATOM 345 C LYS B 11 -4.092 15.325 -2.387 1.00 0.00 C ATOM 346 O LYS B 11 -3.890 16.463 -1.967 1.00 0.00 O ATOM 347 CB LYS B 11 -6.496 14.360 -2.826 1.00 0.00 C ATOM 348 CG LYS B 11 -7.231 15.107 -1.676 1.00 0.00 C ATOM 349 CD LYS B 11 -6.619 14.881 -0.265 1.00 0.00 C ATOM 350 CE LYS B 11 -5.956 16.139 0.344 1.00 0.00 C ATOM 351 NZ LYS B 11 -4.779 15.755 1.191 1.00 0.00 N ATOM 352 H LYS B 11 -4.968 13.161 -4.635 1.00 0.00 H ATOM 353 HA LYS B 11 -5.528 16.020 -3.820 1.00 0.00 H ATOM 354 HB2 LYS B 11 -7.217 14.233 -3.656 1.00 0.00 H ATOM 355 HB3 LYS B 11 -6.254 13.325 -2.514 1.00 0.00 H ATOM 356 HG2 LYS B 11 -7.320 16.187 -1.930 1.00 0.00 H ATOM 357 HG3 LYS B 11 -8.283 14.759 -1.662 1.00 0.00 H ATOM 358 HD2 LYS B 11 -7.407 14.522 0.426 1.00 0.00 H ATOM 359 HD3 LYS B 11 -5.907 14.030 -0.309 1.00 0.00 H ATOM 360 HE2 LYS B 11 -5.645 16.842 -0.466 1.00 0.00 H ATOM 361 HE3 LYS B 11 -6.703 16.745 0.903 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -4.121 15.120 0.711 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -4.170 16.545 1.455 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -4.987 15.240 2.055 1.00 0.00 H ATOM 365 N ALA B 12 -3.348 14.288 -1.984 1.00 0.00 N ATOM 366 CA ALA B 12 -2.077 14.421 -1.240 1.00 0.00 C ATOM 367 C ALA B 12 -1.089 15.434 -1.917 1.00 0.00 C ATOM 368 O ALA B 12 -0.989 16.565 -1.478 1.00 0.00 O ATOM 369 CB ALA B 12 -1.532 12.994 -1.048 1.00 0.00 C ATOM 370 H ALA B 12 -3.747 13.394 -2.276 1.00 0.00 H ATOM 371 HA ALA B 12 -2.326 14.815 -0.246 1.00 0.00 H ATOM 372 HB1 ALA B 12 -2.265 12.352 -0.531 1.00 0.00 H ATOM 373 HB2 ALA B 12 -0.629 13.010 -0.415 1.00 0.00 H ATOM 374 HB3 ALA B 12 -1.269 12.509 -2.000 1.00 0.00 H ATOM 375 N ALA B 13 -0.451 15.111 -3.030 1.00 0.00 N ATOM 376 CA ALA B 13 0.315 16.081 -3.888 1.00 0.00 C ATOM 377 C ALA B 13 -0.211 17.570 -4.096 1.00 0.00 C ATOM 378 O ALA B 13 0.573 18.487 -4.349 1.00 0.00 O ATOM 379 CB ALA B 13 0.484 15.293 -5.195 1.00 0.00 C ATOM 380 H ALA B 13 -0.552 14.111 -3.173 1.00 0.00 H ATOM 381 HA ALA B 13 1.317 16.209 -3.440 1.00 0.00 H ATOM 382 HB1 ALA B 13 1.106 15.848 -5.914 1.00 0.00 H ATOM 383 HB2 ALA B 13 -0.496 15.097 -5.671 1.00 0.00 H ATOM 384 HB3 ALA B 13 0.970 14.312 -5.023 1.00 0.00 H ATOM 385 N GLU B 14 -1.531 17.761 -3.979 1.00 0.00 N ATOM 386 CA GLU B 14 -2.220 19.084 -3.855 1.00 0.00 C ATOM 387 C GLU B 14 -2.135 19.663 -2.382 1.00 0.00 C ATOM 388 O GLU B 14 -1.318 20.553 -2.126 1.00 0.00 O ATOM 389 CB GLU B 14 -3.646 18.876 -4.472 1.00 0.00 C ATOM 390 CG GLU B 14 -4.762 19.944 -4.225 1.00 0.00 C ATOM 391 CD GLU B 14 -5.749 19.733 -3.073 1.00 0.00 C ATOM 392 OE1 GLU B 14 -5.889 18.597 -2.555 1.00 0.00 O ATOM 393 OE2 GLU B 14 -6.396 20.717 -2.671 1.00 0.00 O ATOM 394 H GLU B 14 -1.949 16.863 -3.694 1.00 0.00 H ATOM 395 HA GLU B 14 -1.702 19.825 -4.495 1.00 0.00 H ATOM 396 HB2 GLU B 14 -3.507 18.775 -5.566 1.00 0.00 H ATOM 397 HB3 GLU B 14 -4.056 17.892 -4.177 1.00 0.00 H ATOM 398 HG2 GLU B 14 -4.325 20.950 -4.100 1.00 0.00 H ATOM 399 HG3 GLU B 14 -5.402 20.024 -5.118 1.00 0.00 H ATOM 400 N ALA B 15 -2.944 19.176 -1.418 1.00 0.00 N ATOM 401 CA ALA B 15 -2.922 19.646 0.009 1.00 0.00 C ATOM 402 C ALA B 15 -2.064 18.814 1.039 1.00 0.00 C ATOM 403 O ALA B 15 -1.580 19.354 2.036 1.00 0.00 O ATOM 404 CB ALA B 15 -4.393 19.759 0.432 1.00 0.00 C ATOM 405 H ALA B 15 -3.708 18.609 -1.829 1.00 0.00 H ATOM 406 HA ALA B 15 -2.500 20.671 0.047 1.00 0.00 H ATOM 407 HB1 ALA B 15 -4.904 18.785 0.405 1.00 0.00 H ATOM 408 HB2 ALA B 15 -4.954 20.431 -0.248 1.00 0.00 H ATOM 409 HB3 ALA B 15 -4.488 20.169 1.453 1.00 0.00 H ATOM 410 N GLY B 16 -1.971 17.487 0.853 1.00 0.00 N ATOM 411 CA GLY B 16 -0.973 16.609 1.545 1.00 0.00 C ATOM 412 C GLY B 16 0.462 16.803 0.995 1.00 0.00 C ATOM 413 O GLY B 16 1.023 17.898 1.045 1.00 0.00 O ATOM 414 H GLY B 16 -2.150 17.339 -0.152 1.00 0.00 H ATOM 415 HA2 GLY B 16 -0.971 16.720 2.625 1.00 0.00 H ATOM 416 HA3 GLY B 16 -1.260 15.554 1.346 1.00 0.00 H ATOM 417 N CYS B 17 1.048 15.720 0.457 1.00 0.00 N ATOM 418 CA CYS B 17 2.273 15.798 -0.376 1.00 0.00 C ATOM 419 C CYS B 17 2.568 14.556 -1.290 1.00 0.00 C ATOM 420 O CYS B 17 3.105 14.682 -2.387 1.00 0.00 O ATOM 421 CB CYS B 17 3.487 16.075 0.549 1.00 0.00 C ATOM 422 SG CYS B 17 3.770 14.664 1.648 1.00 0.00 S ATOM 423 H CYS B 17 0.559 14.843 0.631 1.00 0.00 H ATOM 424 HA CYS B 17 2.055 16.616 -1.117 1.00 0.00 H ATOM 425 HB2 CYS B 17 4.387 16.259 -0.057 1.00 0.00 H ATOM 426 HB3 CYS B 17 3.320 16.979 1.161 1.00 0.00 H HETATM 427 N NH2 B 18 2.298 13.318 -0.923 1.00 0.00 N HETATM 428 HN1 NH2 B 18 2.713 12.632 -1.557 1.00 0.00 H HETATM 429 HN2 NH2 B 18 2.006 13.202 0.051 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -1.577 5.556 -0.045 1.00 0.00 CO HETATM 432 C PC3 A 20 2.259 7.764 0.129 1.00 0.00 C HETATM 433 C1 PC3 A 20 1.349 8.806 0.571 1.00 0.00 C HETATM 434 C2A PC3 A 20 0.046 8.196 0.556 1.00 0.00 C HETATM 435 N2B PC3 A 20 0.047 6.877 0.138 1.00 0.00 N HETATM 436 C2C PC3 A 20 1.390 6.648 -0.118 1.00 0.00 C HETATM 437 CA PC3 A 20 -1.191 8.860 0.935 1.00 0.00 C HETATM 438 C4C PC3 A 20 -2.552 8.345 0.985 1.00 0.00 C HETATM 439 C2 PC3 A 20 -3.705 9.097 1.401 1.00 0.00 C HETATM 440 C3 PC3 A 20 -4.811 8.159 1.255 1.00 0.00 C HETATM 441 C4A PC3 A 20 -4.210 6.961 0.772 1.00 0.00 C HETATM 442 N4B PC3 A 20 -2.843 7.038 0.615 1.00 0.00 N HETATM 443 CB PC3 A 20 -4.939 5.742 0.463 1.00 0.00 C HETATM 444 C6C PC3 A 20 -4.450 4.482 -0.049 1.00 0.00 C HETATM 445 C4 PC3 A 20 -5.267 3.363 -0.323 1.00 0.00 C HETATM 446 C5 PC3 A 20 -4.365 2.369 -0.842 1.00 0.00 C HETATM 447 C6A PC3 A 20 -3.098 2.967 -0.767 1.00 0.00 C HETATM 448 N6B PC3 A 20 -3.119 4.263 -0.305 1.00 0.00 N HETATM 449 CC PC3 A 20 -1.879 2.298 -1.135 1.00 0.00 C HETATM 450 C8C PC3 A 20 -0.524 2.809 -1.138 1.00 0.00 C HETATM 451 C6 PC3 A 20 0.625 2.073 -1.565 1.00 0.00 C HETATM 452 C7 PC3 A 20 1.728 2.981 -1.373 1.00 0.00 C HETATM 453 C8A PC3 A 20 1.122 4.173 -0.887 1.00 0.00 C HETATM 454 N8B PC3 A 20 -0.248 4.094 -0.718 1.00 0.00 N HETATM 455 CD PC3 A 20 1.856 5.368 -0.590 1.00 0.00 C HETATM 456 C8 PC3 A 20 -6.304 8.387 1.534 1.00 0.00 C HETATM 457 C9 PC3 A 20 1.744 10.188 1.082 1.00 0.00 C HETATM 458 C10 PC3 A 20 3.198 2.740 -1.723 1.00 0.00 C HETATM 459 C11 PC3 A 20 -4.654 0.947 -1.267 1.00 0.00 C HETATM 460 C12 PC3 A 20 -3.849 10.603 1.714 1.00 0.00 C HETATM 461 CX5 PC3 A 20 -2.906 11.248 2.772 1.00 0.00 C HETATM 462 C14 PC3 A 20 3.791 7.704 0.259 1.00 0.00 C HETATM 463 C15 PC3 A 20 4.213 6.743 1.403 1.00 0.00 C HETATM 464 C16 PC3 A 20 0.693 0.721 -2.282 1.00 0.00 C HETATM 465 C17 PC3 A 20 1.231 -0.447 -1.432 1.00 0.00 C HETATM 466 C18 PC3 A 20 -6.665 3.126 0.213 1.00 0.00 C HETATM 467 C19 PC3 A 20 -6.833 3.561 1.692 1.00 0.00 C HETATM 468 C21 PC3 A 20 5.601 6.140 1.296 1.00 0.00 C HETATM 469 O1 PC3 A 20 6.483 6.458 2.117 1.00 0.00 O HETATM 470 O2 PC3 A 20 5.766 5.262 0.425 1.00 0.00 O HETATM 471 C22 PC3 A 20 -2.094 12.432 2.245 1.00 0.00 C HETATM 472 O3 PC3 A 20 -0.873 12.270 2.039 1.00 0.00 O HETATM 473 O22 PC3 A 20 -2.701 13.488 1.945 1.00 0.00 O HETATM 474 C23 PC3 A 20 -5.595 3.419 2.573 1.00 0.00 C HETATM 475 O23 PC3 A 20 -5.137 2.292 2.844 1.00 0.00 O HETATM 476 O4 PC3 A 20 -4.930 4.454 2.828 1.00 0.00 O HETATM 477 C24 PC3 A 20 1.025 -1.789 -2.123 1.00 0.00 C HETATM 478 O5 PC3 A 20 -0.147 -2.121 -2.402 1.00 0.00 O HETATM 479 O6 PC3 A 20 2.013 -2.498 -2.369 1.00 0.00 O HETATM 480 HA PC3 A 20 -1.077 9.899 1.225 1.00 0.00 H HETATM 481 HB PC3 A 20 -6.010 5.779 0.639 1.00 0.00 H HETATM 482 HC PC3 A 20 -1.998 1.271 -1.465 1.00 0.00 H HETATM 483 HD PC3 A 20 2.929 5.304 -0.757 1.00 0.00 H HETATM 484 H81 PC3 A 20 -6.586 9.454 1.547 1.00 0.00 H HETATM 485 H82 PC3 A 20 -6.597 7.957 2.511 1.00 0.00 H HETATM 486 H83 PC3 A 20 -6.948 7.901 0.774 1.00 0.00 H HETATM 487 H91 PC3 A 20 1.861 10.195 2.182 1.00 0.00 H HETATM 488 H92 PC3 A 20 0.993 10.964 0.835 1.00 0.00 H HETATM 489 H93 PC3 A 20 2.705 10.533 0.655 1.00 0.00 H HETATM 490 H101 PC3 A 20 3.558 3.428 -2.510 1.00 0.00 H HETATM 491 H102 PC3 A 20 3.862 2.885 -0.847 1.00 0.00 H HETATM 492 H103 PC3 A 20 3.387 1.714 -2.093 1.00 0.00 H HETATM 493 H111 PC3 A 20 -5.369 0.911 -2.109 1.00 0.00 H HETATM 494 H112 PC3 A 20 -3.737 0.408 -1.568 1.00 0.00 H HETATM 495 H113 PC3 A 20 -5.107 0.378 -0.432 1.00 0.00 H HETATM 496 H121 PC3 A 20 -4.883 10.812 2.044 1.00 0.00 H HETATM 497 H122 PC3 A 20 -3.786 11.155 0.756 1.00 0.00 H HETATM 498 H221 PC3 A 20 -2.213 10.518 3.226 1.00 0.00 H HETATM 499 H222 PC3 A 20 -3.497 11.627 3.626 1.00 0.00 H HETATM 500 H141 PC3 A 20 4.238 7.362 -0.696 1.00 0.00 H HETATM 501 H142 PC3 A 20 4.238 8.701 0.433 1.00 0.00 H HETATM 502 H151 PC3 A 20 3.548 5.875 1.475 1.00 0.00 H HETATM 503 H152 PC3 A 20 4.092 7.204 2.388 1.00 0.00 H HETATM 504 H161 PC3 A 20 1.320 0.804 -3.191 1.00 0.00 H HETATM 505 H162 PC3 A 20 -0.303 0.446 -2.677 1.00 0.00 H HETATM 506 H171 PC3 A 20 0.729 -0.516 -0.456 1.00 0.00 H HETATM 507 H172 PC3 A 20 2.307 -0.327 -1.215 1.00 0.00 H HETATM 508 H181 PC3 A 20 -7.414 3.633 -0.422 1.00 0.00 H HETATM 509 H182 PC3 A 20 -6.901 2.050 0.136 1.00 0.00 H HETATM 510 H192 PC3 A 20 -7.162 4.616 1.721 1.00 0.00 H HETATM 511 H191 PC3 A 20 -7.662 3.000 2.159 1.00 0.00 H