HETATM 1 C ACE A 0 -7.192 -3.757 3.717 1.00 0.00 C HETATM 2 O ACE A 0 -7.028 -4.974 3.715 1.00 0.00 O HETATM 3 CH3 ACE A 0 -7.688 -3.042 4.954 1.00 0.00 C HETATM 4 H1 ACE A 0 -7.862 -3.766 5.770 1.00 0.00 H HETATM 5 H2 ACE A 0 -6.951 -2.304 5.318 1.00 0.00 H HETATM 6 H3 ACE A 0 -8.643 -2.522 4.762 1.00 0.00 H ATOM 7 N CYS A 1 -6.947 -2.974 2.675 1.00 0.00 N ATOM 8 CA CYS A 1 -6.413 -3.523 1.373 1.00 0.00 C ATOM 9 C CYS A 1 -4.843 -3.529 1.192 1.00 0.00 C ATOM 10 O CYS A 1 -4.370 -4.004 0.156 1.00 0.00 O ATOM 11 CB CYS A 1 -7.097 -2.647 0.294 1.00 0.00 C ATOM 12 SG CYS A 1 -6.849 -3.369 -1.342 1.00 0.00 S ATOM 13 H CYS A 1 -7.054 -1.966 2.908 1.00 0.00 H ATOM 14 HA CYS A 1 -6.742 -4.589 1.166 1.00 0.00 H ATOM 15 HB2 CYS A 1 -8.190 -2.572 0.457 1.00 0.00 H ATOM 16 HB3 CYS A 1 -6.705 -1.611 0.298 1.00 0.00 H ATOM 17 N GLY A 2 -4.017 -3.034 2.141 1.00 0.00 N ATOM 18 CA GLY A 2 -2.574 -2.816 1.912 1.00 0.00 C ATOM 19 C GLY A 2 -1.811 -2.502 3.213 1.00 0.00 C ATOM 20 O GLY A 2 -1.609 -1.334 3.533 1.00 0.00 O ATOM 21 H GLY A 2 -4.430 -2.773 3.039 1.00 0.00 H ATOM 22 HA2 GLY A 2 -2.115 -3.668 1.377 1.00 0.00 H ATOM 23 HA3 GLY A 2 -2.460 -1.951 1.226 1.00 0.00 H ATOM 24 N ALA A 3 -1.366 -3.520 3.967 1.00 0.00 N ATOM 25 CA ALA A 3 -0.430 -3.314 5.113 1.00 0.00 C ATOM 26 C ALA A 3 1.045 -2.910 4.755 1.00 0.00 C ATOM 27 O ALA A 3 1.695 -2.185 5.507 1.00 0.00 O ATOM 28 CB ALA A 3 -0.507 -4.580 5.955 1.00 0.00 C ATOM 29 H ALA A 3 -1.749 -4.445 3.757 1.00 0.00 H ATOM 30 HA ALA A 3 -0.827 -2.495 5.742 1.00 0.00 H ATOM 31 HB1 ALA A 3 -1.545 -4.778 6.278 1.00 0.00 H ATOM 32 HB2 ALA A 3 0.108 -4.459 6.865 1.00 0.00 H ATOM 33 HB3 ALA A 3 -0.129 -5.456 5.398 1.00 0.00 H ATOM 34 N GLU A 4 1.568 -3.374 3.614 1.00 0.00 N ATOM 35 CA GLU A 4 2.837 -2.840 3.010 1.00 0.00 C ATOM 36 C GLU A 4 2.731 -1.322 2.601 1.00 0.00 C ATOM 37 O GLU A 4 3.589 -0.496 2.926 1.00 0.00 O ATOM 38 CB GLU A 4 3.159 -3.784 1.849 1.00 0.00 C ATOM 39 CG GLU A 4 4.542 -3.625 1.155 1.00 0.00 C ATOM 40 CD GLU A 4 5.779 -3.919 1.984 1.00 0.00 C ATOM 41 OE1 GLU A 4 5.714 -4.651 2.996 1.00 0.00 O ATOM 42 OE2 GLU A 4 6.855 -3.377 1.657 1.00 0.00 O ATOM 43 H GLU A 4 1.020 -4.149 3.221 1.00 0.00 H ATOM 44 HA GLU A 4 3.662 -2.956 3.722 1.00 0.00 H ATOM 45 HB2 GLU A 4 3.099 -4.807 2.259 1.00 0.00 H ATOM 46 HB3 GLU A 4 2.345 -3.654 1.117 1.00 0.00 H ATOM 47 HG2 GLU A 4 4.604 -4.297 0.284 1.00 0.00 H ATOM 48 HG3 GLU A 4 4.658 -2.607 0.743 1.00 0.00 H ATOM 49 N ALA A 5 1.618 -0.959 1.927 1.00 0.00 N ATOM 50 CA ALA A 5 1.209 0.462 1.734 1.00 0.00 C ATOM 51 C ALA A 5 1.064 1.233 3.086 1.00 0.00 C ATOM 52 O ALA A 5 1.630 2.312 3.171 1.00 0.00 O ATOM 53 CB ALA A 5 -0.151 0.418 1.026 1.00 0.00 C ATOM 54 H ALA A 5 1.004 -1.781 1.809 1.00 0.00 H ATOM 55 HA ALA A 5 1.938 1.043 1.099 1.00 0.00 H ATOM 56 HB1 ALA A 5 -0.921 -0.059 1.658 1.00 0.00 H ATOM 57 HB2 ALA A 5 -0.520 1.433 0.824 1.00 0.00 H ATOM 58 HB3 ALA A 5 -0.108 -0.143 0.079 1.00 0.00 H ATOM 59 N ALA A 6 0.366 0.713 4.119 1.00 0.00 N ATOM 60 CA ALA A 6 0.389 1.293 5.492 1.00 0.00 C ATOM 61 C ALA A 6 1.795 1.450 6.174 1.00 0.00 C ATOM 62 O ALA A 6 2.022 2.476 6.820 1.00 0.00 O ATOM 63 CB ALA A 6 -0.421 0.326 6.334 1.00 0.00 C ATOM 64 H ALA A 6 -0.099 -0.195 3.936 1.00 0.00 H ATOM 65 HA ALA A 6 -0.168 2.269 5.505 1.00 0.00 H ATOM 66 HB1 ALA A 6 0.129 -0.623 6.454 1.00 0.00 H ATOM 67 HB2 ALA A 6 -1.405 0.120 5.886 1.00 0.00 H ATOM 68 HB3 ALA A 6 -0.551 0.747 7.344 1.00 0.00 H ATOM 69 N LYS A 7 2.726 0.469 6.038 1.00 0.00 N ATOM 70 CA LYS A 7 4.156 0.669 6.456 1.00 0.00 C ATOM 71 C LYS A 7 4.855 1.890 5.740 1.00 0.00 C ATOM 72 O LYS A 7 5.486 2.720 6.401 1.00 0.00 O ATOM 73 CB LYS A 7 4.843 -0.706 6.231 1.00 0.00 C ATOM 74 CG LYS A 7 6.318 -0.826 6.695 1.00 0.00 C ATOM 75 CD LYS A 7 6.995 -2.126 6.200 1.00 0.00 C ATOM 76 CE LYS A 7 7.392 -2.067 4.711 1.00 0.00 C ATOM 77 NZ LYS A 7 7.831 -3.400 4.228 1.00 0.00 N ATOM 78 H LYS A 7 2.395 -0.428 5.599 1.00 0.00 H ATOM 79 HA LYS A 7 4.169 0.923 7.541 1.00 0.00 H ATOM 80 HB2 LYS A 7 4.255 -1.499 6.736 1.00 0.00 H ATOM 81 HB3 LYS A 7 4.762 -0.953 5.155 1.00 0.00 H ATOM 82 HG2 LYS A 7 6.907 0.059 6.375 1.00 0.00 H ATOM 83 HG3 LYS A 7 6.344 -0.788 7.803 1.00 0.00 H ATOM 84 HD2 LYS A 7 7.897 -2.318 6.816 1.00 0.00 H ATOM 85 HD3 LYS A 7 6.322 -2.986 6.401 1.00 0.00 H ATOM 86 HE2 LYS A 7 6.531 -1.729 4.085 1.00 0.00 H ATOM 87 HE3 LYS A 7 8.171 -1.292 4.536 1.00 0.00 H ATOM 88 HZ1 LYS A 7 8.670 -3.830 4.625 1.00 0.00 H ATOM 89 HZ2 LYS A 7 7.053 -4.091 4.245 1.00 0.00 H ATOM 90 HZ3 LYS A 7 7.900 -3.410 3.185 1.00 0.00 H ATOM 91 N ALA A 8 4.714 2.016 4.407 1.00 0.00 N ATOM 92 CA ALA A 8 5.067 3.253 3.668 1.00 0.00 C ATOM 93 C ALA A 8 4.303 4.551 4.108 1.00 0.00 C ATOM 94 O ALA A 8 4.928 5.603 4.185 1.00 0.00 O ATOM 95 CB ALA A 8 4.739 2.994 2.211 1.00 0.00 C ATOM 96 H ALA A 8 4.247 1.221 3.954 1.00 0.00 H ATOM 97 HA ALA A 8 6.161 3.411 3.691 1.00 0.00 H ATOM 98 HB1 ALA A 8 3.655 2.858 2.079 1.00 0.00 H ATOM 99 HB2 ALA A 8 5.048 3.872 1.618 1.00 0.00 H ATOM 100 HB3 ALA A 8 5.267 2.098 1.852 1.00 0.00 H ATOM 101 N HIS A 9 2.980 4.484 4.376 1.00 0.00 N ATOM 102 CA HIS A 9 2.187 5.587 5.007 1.00 0.00 C ATOM 103 C HIS A 9 2.776 6.057 6.381 1.00 0.00 C ATOM 104 O HIS A 9 3.212 7.206 6.427 1.00 0.00 O ATOM 105 CB HIS A 9 0.709 5.118 4.960 1.00 0.00 C ATOM 106 CG HIS A 9 0.026 4.776 3.614 1.00 0.00 C ATOM 107 ND1 HIS A 9 -0.995 3.817 3.527 1.00 0.00 N ATOM 108 CD2 HIS A 9 0.315 5.286 2.364 1.00 0.00 C ATOM 109 CE1 HIS A 9 -1.339 3.879 2.165 1.00 0.00 C ATOM 110 NE2 HIS A 9 -0.591 4.791 1.508 1.00 0.00 N ATOM 111 H HIS A 9 2.545 3.552 4.220 1.00 0.00 H ATOM 112 HA HIS A 9 2.260 6.520 4.421 1.00 0.00 H ATOM 113 HB2 HIS A 9 0.638 4.242 5.623 1.00 0.00 H ATOM 114 HB3 HIS A 9 0.106 5.904 5.435 1.00 0.00 H ATOM 115 HD1 HIS A 9 -1.672 3.617 4.275 1.00 0.00 H ATOM 116 HD2 HIS A 9 1.109 5.962 2.085 1.00 0.00 H ATOM 117 HE1 HIS A 9 -2.118 3.239 1.754 1.00 0.00 H ATOM 118 N ALA A 10 2.923 5.214 7.432 1.00 0.00 N ATOM 119 CA ALA A 10 3.747 5.543 8.625 1.00 0.00 C ATOM 120 C ALA A 10 5.172 6.153 8.353 1.00 0.00 C ATOM 121 O ALA A 10 5.492 7.234 8.862 1.00 0.00 O ATOM 122 CB ALA A 10 3.824 4.183 9.363 1.00 0.00 C ATOM 123 H ALA A 10 2.219 4.483 7.588 1.00 0.00 H ATOM 124 HA ALA A 10 3.206 6.275 9.249 1.00 0.00 H ATOM 125 HB1 ALA A 10 4.409 4.262 10.296 1.00 0.00 H ATOM 126 HB2 ALA A 10 4.325 3.409 8.745 1.00 0.00 H ATOM 127 HB3 ALA A 10 2.828 3.782 9.628 1.00 0.00 H ATOM 128 N LYS A 11 5.988 5.494 7.497 1.00 0.00 N ATOM 129 CA LYS A 11 7.345 6.022 7.136 1.00 0.00 C ATOM 130 C LYS A 11 7.348 7.435 6.441 1.00 0.00 C ATOM 131 O LYS A 11 8.170 8.295 6.787 1.00 0.00 O ATOM 132 CB LYS A 11 8.106 4.906 6.357 1.00 0.00 C ATOM 133 CG LYS A 11 9.646 4.909 6.528 1.00 0.00 C ATOM 134 CD LYS A 11 10.408 5.988 5.714 1.00 0.00 C ATOM 135 CE LYS A 11 11.485 6.759 6.504 1.00 0.00 C ATOM 136 NZ LYS A 11 10.852 7.673 7.491 1.00 0.00 N ATOM 137 H LYS A 11 5.453 4.807 6.927 1.00 0.00 H ATOM 138 HA LYS A 11 7.875 6.181 8.099 1.00 0.00 H ATOM 139 HB2 LYS A 11 7.765 3.914 6.716 1.00 0.00 H ATOM 140 HB3 LYS A 11 7.815 4.915 5.288 1.00 0.00 H ATOM 141 HG2 LYS A 11 9.880 4.974 7.613 1.00 0.00 H ATOM 142 HG3 LYS A 11 10.038 3.911 6.246 1.00 0.00 H ATOM 143 HD2 LYS A 11 10.888 5.491 4.848 1.00 0.00 H ATOM 144 HD3 LYS A 11 9.712 6.704 5.233 1.00 0.00 H ATOM 145 HE2 LYS A 11 12.187 6.058 7.010 1.00 0.00 H ATOM 146 HE3 LYS A 11 12.123 7.338 5.799 1.00 0.00 H ATOM 147 HZ1 LYS A 11 10.471 7.216 8.355 1.00 0.00 H ATOM 148 HZ2 LYS A 11 11.438 8.369 7.985 1.00 0.00 H ATOM 149 HZ3 LYS A 11 10.008 8.171 7.163 1.00 0.00 H ATOM 150 N ALA A 12 6.442 7.645 5.466 1.00 0.00 N ATOM 151 CA ALA A 12 6.112 8.972 4.894 1.00 0.00 C ATOM 152 C ALA A 12 5.569 9.933 6.002 1.00 0.00 C ATOM 153 O ALA A 12 6.358 10.724 6.470 1.00 0.00 O ATOM 154 CB ALA A 12 5.172 8.738 3.694 1.00 0.00 C ATOM 155 H ALA A 12 5.830 6.838 5.304 1.00 0.00 H ATOM 156 HA ALA A 12 7.046 9.417 4.505 1.00 0.00 H ATOM 157 HB1 ALA A 12 5.633 8.083 2.932 1.00 0.00 H ATOM 158 HB2 ALA A 12 4.911 9.691 3.201 1.00 0.00 H ATOM 159 HB3 ALA A 12 4.220 8.263 4.005 1.00 0.00 H ATOM 160 N ALA A 13 4.330 9.878 6.491 1.00 0.00 N ATOM 161 CA ALA A 13 3.835 10.592 7.729 1.00 0.00 C ATOM 162 C ALA A 13 4.858 11.057 8.852 1.00 0.00 C ATOM 163 O ALA A 13 4.720 12.133 9.437 1.00 0.00 O ATOM 164 CB ALA A 13 2.736 9.657 8.252 1.00 0.00 C ATOM 165 H ALA A 13 3.765 9.234 5.946 1.00 0.00 H ATOM 166 HA ALA A 13 3.321 11.514 7.411 1.00 0.00 H ATOM 167 HB1 ALA A 13 3.160 8.688 8.575 1.00 0.00 H ATOM 168 HB2 ALA A 13 2.201 10.099 9.105 1.00 0.00 H ATOM 169 HB3 ALA A 13 1.981 9.436 7.468 1.00 0.00 H ATOM 170 N GLU A 14 5.863 10.207 9.114 1.00 0.00 N ATOM 171 CA GLU A 14 7.098 10.549 9.878 1.00 0.00 C ATOM 172 C GLU A 14 8.103 11.382 8.967 1.00 0.00 C ATOM 173 O GLU A 14 8.059 12.612 8.998 1.00 0.00 O ATOM 174 CB GLU A 14 7.594 9.186 10.468 1.00 0.00 C ATOM 175 CG GLU A 14 9.000 9.105 11.144 1.00 0.00 C ATOM 176 CD GLU A 14 10.059 8.347 10.358 1.00 0.00 C ATOM 177 OE1 GLU A 14 9.831 7.175 9.982 1.00 0.00 O ATOM 178 OE2 GLU A 14 11.097 8.936 9.997 1.00 0.00 O ATOM 179 H GLU A 14 5.813 9.435 8.433 1.00 0.00 H ATOM 180 HA GLU A 14 6.838 11.205 10.732 1.00 0.00 H ATOM 181 HB2 GLU A 14 6.843 8.853 11.211 1.00 0.00 H ATOM 182 HB3 GLU A 14 7.540 8.398 9.690 1.00 0.00 H ATOM 183 HG2 GLU A 14 9.398 10.108 11.381 1.00 0.00 H ATOM 184 HG3 GLU A 14 8.925 8.583 12.112 1.00 0.00 H ATOM 185 N ALA A 15 8.993 10.735 8.161 1.00 0.00 N ATOM 186 CA ALA A 15 10.113 11.333 7.319 1.00 0.00 C ATOM 187 C ALA A 15 9.583 12.263 6.148 1.00 0.00 C ATOM 188 O ALA A 15 10.112 13.325 5.812 1.00 0.00 O ATOM 189 CB ALA A 15 10.968 12.045 8.350 1.00 0.00 C ATOM 190 H ALA A 15 8.937 9.731 8.312 1.00 0.00 H ATOM 191 HA ALA A 15 10.760 10.566 6.843 1.00 0.00 H ATOM 192 HB1 ALA A 15 11.219 11.350 9.173 1.00 0.00 H ATOM 193 HB2 ALA A 15 10.417 12.908 8.760 1.00 0.00 H ATOM 194 HB3 ALA A 15 11.880 12.396 7.857 1.00 0.00 H ATOM 195 N GLY A 16 8.615 11.701 5.447 1.00 0.00 N ATOM 196 CA GLY A 16 7.758 12.378 4.435 1.00 0.00 C ATOM 197 C GLY A 16 6.554 13.164 5.006 1.00 0.00 C ATOM 198 O GLY A 16 6.682 13.967 5.930 1.00 0.00 O ATOM 199 H GLY A 16 8.161 11.209 6.236 1.00 0.00 H ATOM 200 HA2 GLY A 16 8.317 13.013 3.751 1.00 0.00 H ATOM 201 HA3 GLY A 16 7.335 11.545 3.829 1.00 0.00 H ATOM 202 N CYS A 17 5.367 12.889 4.441 1.00 0.00 N ATOM 203 CA CYS A 17 4.083 13.319 5.005 1.00 0.00 C ATOM 204 C CYS A 17 2.968 12.549 4.254 1.00 0.00 C ATOM 205 O CYS A 17 2.623 12.804 3.092 1.00 0.00 O ATOM 206 CB CYS A 17 3.904 14.855 4.912 1.00 0.00 C ATOM 207 SG CYS A 17 4.841 15.614 3.553 1.00 0.00 S ATOM 208 H CYS A 17 5.395 12.527 3.492 1.00 0.00 H ATOM 209 HA CYS A 17 4.088 12.959 6.070 1.00 0.00 H ATOM 210 HB2 CYS A 17 2.842 15.141 4.838 1.00 0.00 H ATOM 211 HB3 CYS A 17 4.298 15.295 5.843 1.00 0.00 H HETATM 212 N NH2 A 18 2.428 11.580 4.962 1.00 0.00 N HETATM 213 HN1 NH2 A 18 2.748 11.407 5.922 1.00 0.00 H HETATM 214 HN2 NH2 A 18 1.688 10.998 4.556 1.00 0.00 H TER 215 NH2 A 18 HETATM 216 C ACE B 0 -8.887 -0.979 -6.231 1.00 0.00 C HETATM 217 O ACE B 0 -9.291 -1.858 -6.981 1.00 0.00 O HETATM 218 CH3 ACE B 0 -9.653 0.334 -6.120 1.00 0.00 C HETATM 219 H1 ACE B 0 -9.005 1.200 -6.338 1.00 0.00 H HETATM 220 H2 ACE B 0 -10.495 0.357 -6.834 1.00 0.00 H HETATM 221 H3 ACE B 0 -10.075 0.461 -5.107 1.00 0.00 H ATOM 222 N CYS B 1 -7.772 -1.239 -5.556 1.00 0.00 N ATOM 223 CA CYS B 1 -7.098 -0.265 -4.627 1.00 0.00 C ATOM 224 C CYS B 1 -6.083 0.750 -5.290 1.00 0.00 C ATOM 225 O CYS B 1 -5.756 1.737 -4.628 1.00 0.00 O ATOM 226 CB CYS B 1 -6.464 -1.132 -3.507 1.00 0.00 C ATOM 227 SG CYS B 1 -7.695 -2.221 -2.751 1.00 0.00 S ATOM 228 H CYS B 1 -7.405 -2.170 -5.812 1.00 0.00 H ATOM 229 HA CYS B 1 -7.841 0.396 -4.103 1.00 0.00 H ATOM 230 HB2 CYS B 1 -5.619 -1.744 -3.873 1.00 0.00 H ATOM 231 HB3 CYS B 1 -6.044 -0.496 -2.703 1.00 0.00 H ATOM 232 N GLY B 2 -5.623 0.586 -6.557 1.00 0.00 N ATOM 233 CA GLY B 2 -4.706 1.570 -7.218 1.00 0.00 C ATOM 234 C GLY B 2 -5.304 2.895 -7.758 1.00 0.00 C ATOM 235 O GLY B 2 -4.622 3.916 -7.744 1.00 0.00 O ATOM 236 H GLY B 2 -6.021 -0.202 -7.082 1.00 0.00 H ATOM 237 HA2 GLY B 2 -3.886 1.836 -6.521 1.00 0.00 H ATOM 238 HA3 GLY B 2 -4.181 1.079 -8.056 1.00 0.00 H ATOM 239 N ALA B 3 -6.552 2.919 -8.254 1.00 0.00 N ATOM 240 CA ALA B 3 -7.266 4.189 -8.570 1.00 0.00 C ATOM 241 C ALA B 3 -7.782 5.011 -7.337 1.00 0.00 C ATOM 242 O ALA B 3 -7.693 6.244 -7.356 1.00 0.00 O ATOM 243 CB ALA B 3 -8.385 3.792 -9.529 1.00 0.00 C ATOM 244 H ALA B 3 -7.016 2.010 -8.296 1.00 0.00 H ATOM 245 HA ALA B 3 -6.572 4.865 -9.118 1.00 0.00 H ATOM 246 HB1 ALA B 3 -8.932 4.689 -9.864 1.00 0.00 H ATOM 247 HB2 ALA B 3 -7.979 3.290 -10.427 1.00 0.00 H ATOM 248 HB3 ALA B 3 -9.109 3.113 -9.042 1.00 0.00 H ATOM 249 N GLU B 4 -8.304 4.363 -6.272 1.00 0.00 N ATOM 250 CA GLU B 4 -8.564 5.035 -4.965 1.00 0.00 C ATOM 251 C GLU B 4 -7.266 5.594 -4.285 1.00 0.00 C ATOM 252 O GLU B 4 -7.250 6.729 -3.788 1.00 0.00 O ATOM 253 CB GLU B 4 -9.431 4.091 -4.091 1.00 0.00 C ATOM 254 CG GLU B 4 -10.895 3.835 -4.567 1.00 0.00 C ATOM 255 CD GLU B 4 -11.733 5.069 -4.841 1.00 0.00 C ATOM 256 OE1 GLU B 4 -12.128 5.771 -3.893 1.00 0.00 O ATOM 257 OE2 GLU B 4 -11.944 5.406 -6.023 1.00 0.00 O ATOM 258 H GLU B 4 -8.594 3.393 -6.416 1.00 0.00 H ATOM 259 HA GLU B 4 -9.141 5.941 -5.180 1.00 0.00 H ATOM 260 HB2 GLU B 4 -8.907 3.123 -3.969 1.00 0.00 H ATOM 261 HB3 GLU B 4 -9.482 4.522 -3.075 1.00 0.00 H ATOM 262 HG2 GLU B 4 -10.911 3.228 -5.487 1.00 0.00 H ATOM 263 HG3 GLU B 4 -11.446 3.247 -3.814 1.00 0.00 H ATOM 264 N ALA B 5 -6.161 4.825 -4.346 1.00 0.00 N ATOM 265 CA ALA B 5 -4.803 5.358 -4.069 1.00 0.00 C ATOM 266 C ALA B 5 -4.456 6.556 -4.992 1.00 0.00 C ATOM 267 O ALA B 5 -4.085 7.585 -4.448 1.00 0.00 O ATOM 268 CB ALA B 5 -3.786 4.270 -4.420 1.00 0.00 C ATOM 269 H ALA B 5 -6.337 3.974 -4.909 1.00 0.00 H ATOM 270 HA ALA B 5 -4.673 5.703 -3.008 1.00 0.00 H ATOM 271 HB1 ALA B 5 -2.756 4.632 -4.306 1.00 0.00 H ATOM 272 HB2 ALA B 5 -3.821 3.998 -5.491 1.00 0.00 H ATOM 273 HB3 ALA B 5 -3.900 3.343 -3.855 1.00 0.00 H ATOM 274 N ALA B 6 -4.592 6.466 -6.332 1.00 0.00 N ATOM 275 CA ALA B 6 -4.172 7.544 -7.240 1.00 0.00 C ATOM 276 C ALA B 6 -4.852 8.949 -6.959 1.00 0.00 C ATOM 277 O ALA B 6 -4.185 9.977 -6.840 1.00 0.00 O ATOM 278 CB ALA B 6 -4.535 7.065 -8.636 1.00 0.00 C ATOM 279 H ALA B 6 -4.942 5.572 -6.720 1.00 0.00 H ATOM 280 HA ALA B 6 -3.061 7.508 -7.154 1.00 0.00 H ATOM 281 HB1 ALA B 6 -4.209 7.813 -9.376 1.00 0.00 H ATOM 282 HB2 ALA B 6 -5.630 6.947 -8.733 1.00 0.00 H ATOM 283 HB3 ALA B 6 -4.051 6.101 -8.863 1.00 0.00 H ATOM 284 N LYS B 7 -6.193 8.931 -6.800 1.00 0.00 N ATOM 285 CA LYS B 7 -7.033 10.057 -6.292 1.00 0.00 C ATOM 286 C LYS B 7 -6.598 10.606 -4.885 1.00 0.00 C ATOM 287 O LYS B 7 -6.404 11.816 -4.739 1.00 0.00 O ATOM 288 CB LYS B 7 -8.470 9.448 -6.332 1.00 0.00 C ATOM 289 CG LYS B 7 -9.662 10.380 -5.982 1.00 0.00 C ATOM 290 CD LYS B 7 -10.453 10.016 -4.695 1.00 0.00 C ATOM 291 CE LYS B 7 -10.978 8.569 -4.518 1.00 0.00 C ATOM 292 NZ LYS B 7 -11.834 8.108 -5.646 1.00 0.00 N ATOM 293 H LYS B 7 -6.586 7.997 -6.991 1.00 0.00 H ATOM 294 HA LYS B 7 -6.942 10.915 -7.000 1.00 0.00 H ATOM 295 HB2 LYS B 7 -8.664 9.030 -7.341 1.00 0.00 H ATOM 296 HB3 LYS B 7 -8.483 8.547 -5.685 1.00 0.00 H ATOM 297 HG2 LYS B 7 -9.307 11.429 -5.896 1.00 0.00 H ATOM 298 HG3 LYS B 7 -10.359 10.418 -6.843 1.00 0.00 H ATOM 299 HD2 LYS B 7 -9.805 10.250 -3.825 1.00 0.00 H ATOM 300 HD3 LYS B 7 -11.299 10.724 -4.589 1.00 0.00 H ATOM 301 HE2 LYS B 7 -10.132 7.862 -4.365 1.00 0.00 H ATOM 302 HE3 LYS B 7 -11.534 8.471 -3.557 1.00 0.00 H ATOM 303 HZ1 LYS B 7 -11.394 8.173 -6.569 1.00 0.00 H ATOM 304 HZ2 LYS B 7 -12.010 7.070 -5.559 1.00 0.00 H ATOM 305 HZ3 LYS B 7 -12.772 8.515 -5.693 1.00 0.00 H ATOM 306 N ALA B 8 -6.403 9.747 -3.857 1.00 0.00 N ATOM 307 CA ALA B 8 -5.721 10.159 -2.597 1.00 0.00 C ATOM 308 C ALA B 8 -4.268 10.737 -2.752 1.00 0.00 C ATOM 309 O ALA B 8 -3.848 11.576 -1.961 1.00 0.00 O ATOM 310 CB ALA B 8 -5.554 8.902 -1.758 1.00 0.00 C ATOM 311 H ALA B 8 -6.618 8.756 -4.046 1.00 0.00 H ATOM 312 HA ALA B 8 -6.371 10.842 -2.009 1.00 0.00 H ATOM 313 HB1 ALA B 8 -5.094 9.181 -0.793 1.00 0.00 H ATOM 314 HB2 ALA B 8 -6.520 8.415 -1.579 1.00 0.00 H ATOM 315 HB3 ALA B 8 -4.872 8.191 -2.256 1.00 0.00 H ATOM 316 N HIS B 9 -3.487 10.208 -3.713 1.00 0.00 N ATOM 317 CA HIS B 9 -2.077 10.606 -3.979 1.00 0.00 C ATOM 318 C HIS B 9 -2.016 12.064 -4.547 1.00 0.00 C ATOM 319 O HIS B 9 -1.341 12.902 -3.946 1.00 0.00 O ATOM 320 CB HIS B 9 -1.476 9.438 -4.811 1.00 0.00 C ATOM 321 CG HIS B 9 -1.239 8.084 -4.109 1.00 0.00 C ATOM 322 ND1 HIS B 9 -0.789 6.968 -4.817 1.00 0.00 N ATOM 323 CD2 HIS B 9 -1.468 7.765 -2.775 1.00 0.00 C ATOM 324 CE1 HIS B 9 -0.654 6.006 -3.793 1.00 0.00 C ATOM 325 NE2 HIS B 9 -1.016 6.512 -2.588 1.00 0.00 N ATOM 326 H HIS B 9 -4.016 9.659 -4.425 1.00 0.00 H ATOM 327 HA HIS B 9 -1.505 10.635 -3.030 1.00 0.00 H ATOM 328 HB2 HIS B 9 -2.118 9.254 -5.692 1.00 0.00 H ATOM 329 HB3 HIS B 9 -0.515 9.772 -5.228 1.00 0.00 H ATOM 330 HD1 HIS B 9 -0.354 6.918 -5.747 1.00 0.00 H ATOM 331 HD2 HIS B 9 -1.926 8.412 -2.026 1.00 0.00 H ATOM 332 HE1 HIS B 9 -0.305 5.003 -4.014 1.00 0.00 H ATOM 333 N ALA B 10 -2.788 12.363 -5.611 1.00 0.00 N ATOM 334 CA ALA B 10 -3.100 13.736 -6.068 1.00 0.00 C ATOM 335 C ALA B 10 -3.683 14.697 -4.969 1.00 0.00 C ATOM 336 O ALA B 10 -3.161 15.801 -4.770 1.00 0.00 O ATOM 337 CB ALA B 10 -4.126 13.467 -7.200 1.00 0.00 C ATOM 338 H ALA B 10 -3.050 11.593 -6.232 1.00 0.00 H ATOM 339 HA ALA B 10 -2.196 14.215 -6.478 1.00 0.00 H ATOM 340 HB1 ALA B 10 -5.037 12.952 -6.822 1.00 0.00 H ATOM 341 HB2 ALA B 10 -4.480 14.405 -7.662 1.00 0.00 H ATOM 342 HB3 ALA B 10 -3.724 12.831 -8.011 1.00 0.00 H ATOM 343 N LYS B 11 -4.727 14.259 -4.222 1.00 0.00 N ATOM 344 CA LYS B 11 -5.296 15.098 -3.116 1.00 0.00 C ATOM 345 C LYS B 11 -4.317 15.438 -1.942 1.00 0.00 C ATOM 346 O LYS B 11 -4.330 16.549 -1.407 1.00 0.00 O ATOM 347 CB LYS B 11 -6.633 14.486 -2.626 1.00 0.00 C ATOM 348 CG LYS B 11 -7.522 15.404 -1.735 1.00 0.00 C ATOM 349 CD LYS B 11 -7.778 16.811 -2.330 1.00 0.00 C ATOM 350 CE LYS B 11 -8.717 17.697 -1.498 1.00 0.00 C ATOM 351 NZ LYS B 11 -8.697 19.052 -2.115 1.00 0.00 N ATOM 352 H LYS B 11 -4.855 13.230 -4.309 1.00 0.00 H ATOM 353 HA LYS B 11 -5.526 16.071 -3.586 1.00 0.00 H ATOM 354 HB2 LYS B 11 -7.216 14.167 -3.509 1.00 0.00 H ATOM 355 HB3 LYS B 11 -6.401 13.547 -2.084 1.00 0.00 H ATOM 356 HG2 LYS B 11 -8.482 14.889 -1.536 1.00 0.00 H ATOM 357 HG3 LYS B 11 -7.040 15.513 -0.741 1.00 0.00 H ATOM 358 HD2 LYS B 11 -6.802 17.336 -2.423 1.00 0.00 H ATOM 359 HD3 LYS B 11 -8.148 16.718 -3.373 1.00 0.00 H ATOM 360 HE2 LYS B 11 -9.742 17.268 -1.470 1.00 0.00 H ATOM 361 HE3 LYS B 11 -8.366 17.742 -0.442 1.00 0.00 H ATOM 362 HZ1 LYS B 11 -9.327 19.777 -1.761 1.00 0.00 H ATOM 363 HZ2 LYS B 11 -7.737 19.493 -2.057 1.00 0.00 H ATOM 364 HZ3 LYS B 11 -8.719 19.063 -3.148 1.00 0.00 H ATOM 365 N ALA B 12 -3.492 14.461 -1.552 1.00 0.00 N ATOM 366 CA ALA B 12 -2.320 14.676 -0.679 1.00 0.00 C ATOM 367 C ALA B 12 -1.297 15.662 -1.343 1.00 0.00 C ATOM 368 O ALA B 12 -1.231 16.799 -0.923 1.00 0.00 O ATOM 369 CB ALA B 12 -1.765 13.284 -0.346 1.00 0.00 C ATOM 370 H ALA B 12 -3.736 13.557 -1.971 1.00 0.00 H ATOM 371 HA ALA B 12 -2.670 15.140 0.262 1.00 0.00 H ATOM 372 HB1 ALA B 12 -2.531 12.665 0.157 1.00 0.00 H ATOM 373 HB2 ALA B 12 -0.892 13.363 0.326 1.00 0.00 H ATOM 374 HB3 ALA B 12 -1.437 12.742 -1.252 1.00 0.00 H ATOM 375 N ALA B 13 -0.573 15.323 -2.406 1.00 0.00 N ATOM 376 CA ALA B 13 0.237 16.283 -3.241 1.00 0.00 C ATOM 377 C ALA B 13 -0.246 17.786 -3.425 1.00 0.00 C ATOM 378 O ALA B 13 0.568 18.703 -3.541 1.00 0.00 O ATOM 379 CB ALA B 13 0.417 15.514 -4.557 1.00 0.00 C ATOM 380 H ALA B 13 -0.555 14.312 -2.498 1.00 0.00 H ATOM 381 HA ALA B 13 1.238 16.371 -2.783 1.00 0.00 H ATOM 382 HB1 ALA B 13 0.880 14.522 -4.390 1.00 0.00 H ATOM 383 HB2 ALA B 13 -0.557 15.344 -5.052 1.00 0.00 H ATOM 384 HB3 ALA B 13 1.063 16.068 -5.256 1.00 0.00 H ATOM 385 N GLU B 14 -1.572 17.983 -3.436 1.00 0.00 N ATOM 386 CA GLU B 14 -2.245 19.311 -3.292 1.00 0.00 C ATOM 387 C GLU B 14 -2.249 19.834 -1.787 1.00 0.00 C ATOM 388 O GLU B 14 -1.530 20.787 -1.475 1.00 0.00 O ATOM 389 CB GLU B 14 -3.659 19.142 -3.936 1.00 0.00 C ATOM 390 CG GLU B 14 -4.619 20.371 -3.893 1.00 0.00 C ATOM 391 CD GLU B 14 -6.026 20.076 -3.405 1.00 0.00 C ATOM 392 OE1 GLU B 14 -6.890 19.649 -4.199 1.00 0.00 O ATOM 393 OE2 GLU B 14 -6.297 20.236 -2.196 1.00 0.00 O ATOM 394 H GLU B 14 -2.029 17.070 -3.295 1.00 0.00 H ATOM 395 HA GLU B 14 -1.695 20.065 -3.890 1.00 0.00 H ATOM 396 HB2 GLU B 14 -3.538 18.834 -4.994 1.00 0.00 H ATOM 397 HB3 GLU B 14 -4.156 18.272 -3.464 1.00 0.00 H ATOM 398 HG2 GLU B 14 -4.224 21.171 -3.242 1.00 0.00 H ATOM 399 HG3 GLU B 14 -4.703 20.833 -4.891 1.00 0.00 H ATOM 400 N ALA B 15 -3.049 19.248 -0.865 1.00 0.00 N ATOM 401 CA ALA B 15 -3.100 19.646 0.584 1.00 0.00 C ATOM 402 C ALA B 15 -2.132 18.892 1.584 1.00 0.00 C ATOM 403 O ALA B 15 -1.543 19.507 2.476 1.00 0.00 O ATOM 404 CB ALA B 15 -4.586 19.534 0.980 1.00 0.00 C ATOM 405 H ALA B 15 -3.702 18.577 -1.293 1.00 0.00 H ATOM 406 HA ALA B 15 -2.825 20.717 0.670 1.00 0.00 H ATOM 407 HB1 ALA B 15 -5.228 20.155 0.326 1.00 0.00 H ATOM 408 HB2 ALA B 15 -4.750 19.882 2.016 1.00 0.00 H ATOM 409 HB3 ALA B 15 -4.954 18.493 0.915 1.00 0.00 H ATOM 410 N GLY B 16 -2.049 17.553 1.496 1.00 0.00 N ATOM 411 CA GLY B 16 -0.991 16.723 2.150 1.00 0.00 C ATOM 412 C GLY B 16 0.389 16.823 1.451 1.00 0.00 C ATOM 413 O GLY B 16 0.915 17.915 1.231 1.00 0.00 O ATOM 414 H GLY B 16 -2.322 17.305 0.537 1.00 0.00 H ATOM 415 HA2 GLY B 16 -0.875 16.928 3.212 1.00 0.00 H ATOM 416 HA3 GLY B 16 -1.328 15.669 2.039 1.00 0.00 H ATOM 417 N CYS B 17 0.970 15.667 1.083 1.00 0.00 N ATOM 418 CA CYS B 17 2.119 15.622 0.143 1.00 0.00 C ATOM 419 C CYS B 17 2.313 14.235 -0.563 1.00 0.00 C ATOM 420 O CYS B 17 2.473 14.148 -1.778 1.00 0.00 O ATOM 421 CB CYS B 17 3.420 16.142 0.806 1.00 0.00 C ATOM 422 SG CYS B 17 4.301 14.891 1.766 1.00 0.00 S ATOM 423 H CYS B 17 0.634 14.833 1.562 1.00 0.00 H ATOM 424 HA CYS B 17 1.817 16.311 -0.692 1.00 0.00 H ATOM 425 HB2 CYS B 17 4.101 16.505 0.018 1.00 0.00 H ATOM 426 HB3 CYS B 17 3.224 17.015 1.455 1.00 0.00 H HETATM 427 N NH2 B 18 2.346 13.093 0.101 1.00 0.00 N HETATM 428 HN1 NH2 B 18 2.454 13.193 1.121 1.00 0.00 H HETATM 429 HN2 NH2 B 18 2.722 12.347 -0.486 1.00 0.00 H TER 430 NH2 B 18 HETATM 431 CO3 PC3 A 20 -0.822 5.538 -0.585 1.00 0.00 CO HETATM 432 C PC3 A 20 -1.642 9.384 1.451 1.00 0.00 C HETATM 433 C1 PC3 A 20 -2.969 8.789 1.435 1.00 0.00 C HETATM 434 C2A PC3 A 20 -2.811 7.531 0.773 1.00 0.00 C HETATM 435 N2B PC3 A 20 -1.523 7.258 0.377 1.00 0.00 N HETATM 436 C2C PC3 A 20 -0.832 8.400 0.765 1.00 0.00 C HETATM 437 CA PC3 A 20 -3.888 6.598 0.522 1.00 0.00 C HETATM 438 C4C PC3 A 20 -3.872 5.277 -0.081 1.00 0.00 C HETATM 439 C2 PC3 A 20 -5.022 4.430 -0.195 1.00 0.00 C HETATM 440 C3 PC3 A 20 -4.536 3.256 -0.895 1.00 0.00 C HETATM 441 C4A PC3 A 20 -3.137 3.489 -1.054 1.00 0.00 C HETATM 442 N4B PC3 A 20 -2.717 4.724 -0.593 1.00 0.00 N HETATM 443 CB PC3 A 20 -2.202 2.538 -1.636 1.00 0.00 C HETATM 444 C6C PC3 A 20 -0.766 2.637 -1.741 1.00 0.00 C HETATM 445 C4 PC3 A 20 0.082 1.607 -2.237 1.00 0.00 C HETATM 446 C5 PC3 A 20 1.408 2.151 -2.120 1.00 0.00 C HETATM 447 C6A PC3 A 20 1.218 3.450 -1.621 1.00 0.00 C HETATM 448 N6B PC3 A 20 -0.091 3.774 -1.358 1.00 0.00 N HETATM 449 CC PC3 A 20 2.290 4.371 -1.402 1.00 0.00 C HETATM 450 C8C PC3 A 20 2.248 5.753 -0.972 1.00 0.00 C HETATM 451 C6 PC3 A 20 3.381 6.616 -0.945 1.00 0.00 C HETATM 452 C7 PC3 A 20 2.909 7.800 -0.257 1.00 0.00 C HETATM 453 C8A PC3 A 20 1.506 7.576 -0.090 1.00 0.00 C HETATM 454 N8B PC3 A 20 1.079 6.342 -0.549 1.00 0.00 N HETATM 455 CD PC3 A 20 0.584 8.532 0.491 1.00 0.00 C HETATM 456 C8 PC3 A 20 -5.339 2.004 -1.252 1.00 0.00 C HETATM 457 C9 PC3 A 20 -4.223 9.369 2.095 1.00 0.00 C HETATM 458 C10 PC3 A 20 3.716 9.062 0.046 1.00 0.00 C HETATM 459 C11 PC3 A 20 2.741 1.564 -2.533 1.00 0.00 C HETATM 460 C12 PC3 A 20 -6.384 4.602 0.517 1.00 0.00 C HETATM 461 CX5 PC3 A 20 -6.410 4.177 2.020 1.00 0.00 C HETATM 462 C14 PC3 A 20 -1.279 10.649 2.269 1.00 0.00 C HETATM 463 C15 PC3 A 20 0.039 10.743 3.082 1.00 0.00 C HETATM 464 C16 PC3 A 20 4.708 6.416 -1.714 1.00 0.00 C HETATM 465 C17 PC3 A 20 4.595 6.599 -3.262 1.00 0.00 C HETATM 466 C18 PC3 A 20 -0.323 0.320 -2.933 1.00 0.00 C HETATM 467 C19 PC3 A 20 -0.259 0.602 -4.449 1.00 0.00 C HETATM 468 C21 PC3 A 20 0.407 9.616 4.041 1.00 0.00 C HETATM 469 O1 PC3 A 20 0.738 9.897 5.206 1.00 0.00 O HETATM 470 O2 PC3 A 20 0.495 8.449 3.576 1.00 0.00 O HETATM 471 C22 PC3 A 20 -5.375 4.830 2.944 1.00 0.00 C HETATM 472 O3 PC3 A 20 -5.653 5.884 3.538 1.00 0.00 O HETATM 473 O22 PC3 A 20 -4.216 4.351 2.923 1.00 0.00 O HETATM 474 C23 PC3 A 20 -0.946 1.899 -4.848 1.00 0.00 C HETATM 475 O23 PC3 A 20 -1.436 2.009 -5.985 1.00 0.00 O HETATM 476 O4 PC3 A 20 -1.068 2.812 -3.977 1.00 0.00 O HETATM 477 C24 PC3 A 20 3.603 5.689 -3.998 1.00 0.00 C HETATM 478 O5 PC3 A 20 2.400 6.047 -4.007 1.00 0.00 O HETATM 479 O6 PC3 A 20 3.969 4.570 -4.393 1.00 0.00 O HETATM 480 HA PC3 A 20 -4.848 6.897 0.924 1.00 0.00 H HETATM 481 HB PC3 A 20 -2.625 1.598 -1.973 1.00 0.00 H HETATM 482 HC PC3 A 20 3.271 4.006 -1.692 1.00 0.00 H HETATM 483 HD PC3 A 20 1.030 9.461 0.814 1.00 0.00 H HETATM 484 H81 PC3 A 20 -6.372 2.265 -1.552 1.00 0.00 H HETATM 485 H82 PC3 A 20 -5.413 1.305 -0.399 1.00 0.00 H HETATM 486 H83 PC3 A 20 -4.899 1.458 -2.106 1.00 0.00 H HETATM 487 H91 PC3 A 20 -4.271 10.470 2.006 1.00 0.00 H HETATM 488 H92 PC3 A 20 -4.236 9.134 3.178 1.00 0.00 H HETATM 489 H93 PC3 A 20 -5.167 8.972 1.682 1.00 0.00 H HETATM 490 H101 PC3 A 20 3.385 9.558 0.978 1.00 0.00 H HETATM 491 H102 PC3 A 20 4.791 8.839 0.178 1.00 0.00 H HETATM 492 H103 PC3 A 20 3.640 9.800 -0.774 1.00 0.00 H HETATM 493 H111 PC3 A 20 3.304 1.153 -1.676 1.00 0.00 H HETATM 494 H112 PC3 A 20 3.379 2.331 -3.018 1.00 0.00 H HETATM 495 H113 PC3 A 20 2.619 0.751 -3.272 1.00 0.00 H HETATM 496 H121 PC3 A 20 -6.718 5.653 0.442 1.00 0.00 H HETATM 497 H122 PC3 A 20 -7.162 4.034 -0.027 1.00 0.00 H HETATM 498 H221 PC3 A 20 -6.286 3.084 2.109 1.00 0.00 H HETATM 499 H222 PC3 A 20 -7.406 4.385 2.449 1.00 0.00 H HETATM 500 H141 PC3 A 20 -1.320 11.522 1.606 1.00 0.00 H HETATM 501 H142 PC3 A 20 -2.088 10.835 3.002 1.00 0.00 H HETATM 502 H151 PC3 A 20 0.903 10.899 2.420 1.00 0.00 H HETATM 503 H152 PC3 A 20 0.006 11.668 3.687 1.00 0.00 H HETATM 504 H161 PC3 A 20 5.478 7.110 -1.328 1.00 0.00 H HETATM 505 H162 PC3 A 20 5.116 5.409 -1.507 1.00 0.00 H HETATM 506 H171 PC3 A 20 4.331 7.643 -3.506 1.00 0.00 H HETATM 507 H172 PC3 A 20 5.584 6.440 -3.729 1.00 0.00 H HETATM 508 H181 PC3 A 20 0.349 -0.513 -2.660 1.00 0.00 H HETATM 509 H182 PC3 A 20 -1.350 0.031 -2.643 1.00 0.00 H HETATM 510 H192 PC3 A 20 -0.701 -0.226 -5.032 1.00 0.00 H HETATM 511 H191 PC3 A 20 0.787 0.687 -4.789 1.00 0.00 H