HETATM 1 C ACE A 1 2.155 1.273 8.407 1.00 0.00 C HETATM 2 O ACE A 1 2.509 0.276 7.773 1.00 0.00 O HETATM 3 CH3 ACE A 1 3.163 2.362 8.758 1.00 0.00 C HETATM 4 H1 ACE A 1 2.885 3.329 8.301 1.00 0.00 H HETATM 5 H2 ACE A 1 3.243 2.507 9.851 1.00 0.00 H HETATM 6 H3 ACE A 1 4.171 2.103 8.384 1.00 0.00 H ATOM 7 N ILE A 2 0.900 1.484 8.833 1.00 0.00 N ATOM 8 CA ILE A 2 -0.222 0.532 8.571 1.00 0.00 C ATOM 9 C ILE A 2 -0.815 0.849 7.168 1.00 0.00 C ATOM 10 O ILE A 2 -1.225 1.982 6.894 1.00 0.00 O ATOM 11 CB ILE A 2 -1.283 0.465 9.729 1.00 0.00 C ATOM 12 CG1 ILE A 2 -1.993 1.800 10.127 1.00 0.00 C ATOM 13 CG2 ILE A 2 -0.707 -0.237 10.986 1.00 0.00 C ATOM 14 CD1 ILE A 2 -3.347 2.044 9.441 1.00 0.00 C ATOM 15 H ILE A 2 0.733 2.408 9.241 1.00 0.00 H ATOM 16 HA ILE A 2 0.214 -0.486 8.517 1.00 0.00 H ATOM 17 HB ILE A 2 -2.067 -0.230 9.377 1.00 0.00 H ATOM 18 HG12 ILE A 2 -2.184 1.834 11.217 1.00 0.00 H ATOM 19 HG13 ILE A 2 -1.329 2.665 9.943 1.00 0.00 H ATOM 20 HG21 ILE A 2 0.094 0.354 11.466 1.00 0.00 H ATOM 21 HG22 ILE A 2 -1.487 -0.412 11.751 1.00 0.00 H ATOM 22 HG23 ILE A 2 -0.283 -1.230 10.746 1.00 0.00 H ATOM 23 HD11 ILE A 2 -3.794 2.999 9.773 1.00 0.00 H ATOM 24 HD12 ILE A 2 -3.263 2.094 8.341 1.00 0.00 H ATOM 25 HD13 ILE A 2 -4.073 1.245 9.680 1.00 0.00 H ATOM 26 N TRP A 3 -0.829 -0.165 6.283 1.00 0.00 N ATOM 27 CA TRP A 3 -1.316 -0.016 4.889 1.00 0.00 C ATOM 28 C TRP A 3 -2.161 -1.257 4.499 1.00 0.00 C ATOM 29 O TRP A 3 -1.664 -2.389 4.502 1.00 0.00 O ATOM 30 CB TRP A 3 -0.125 0.144 3.896 1.00 0.00 C ATOM 31 CG TRP A 3 0.798 1.355 4.116 1.00 0.00 C ATOM 32 CD1 TRP A 3 0.388 2.697 4.262 1.00 0.00 C ATOM 33 CD2 TRP A 3 2.165 1.364 4.330 1.00 0.00 C ATOM 34 NE1 TRP A 3 1.464 3.547 4.563 1.00 0.00 N ATOM 35 CE2 TRP A 3 2.559 2.701 4.593 1.00 0.00 C ATOM 36 CE3 TRP A 3 3.122 0.316 4.360 1.00 0.00 C ATOM 37 CZ2 TRP A 3 3.912 3.001 4.875 1.00 0.00 C ATOM 38 CZ3 TRP A 3 4.451 0.637 4.637 1.00 0.00 C ATOM 39 CH2 TRP A 3 4.841 1.958 4.890 1.00 0.00 C ATOM 40 H TRP A 3 -0.561 -1.078 6.657 1.00 0.00 H ATOM 41 HA TRP A 3 -1.925 0.905 4.801 1.00 0.00 H ATOM 42 HB2 TRP A 3 0.476 -0.785 3.899 1.00 0.00 H ATOM 43 HB3 TRP A 3 -0.517 0.208 2.864 1.00 0.00 H ATOM 44 HD1 TRP A 3 -0.645 3.008 4.270 1.00 0.00 H ATOM 45 HE1 TRP A 3 1.444 4.556 4.752 1.00 0.00 H ATOM 46 HE3 TRP A 3 2.836 -0.709 4.175 1.00 0.00 H ATOM 47 HZ2 TRP A 3 4.222 4.014 5.083 1.00 0.00 H ATOM 48 HZ3 TRP A 3 5.192 -0.149 4.662 1.00 0.00 H ATOM 49 HH2 TRP A 3 5.877 2.174 5.106 1.00 0.00 H ATOM 50 N GLY A 4 -3.435 -1.025 4.142 1.00 0.00 N ATOM 51 CA GLY A 4 -4.361 -2.100 3.708 1.00 0.00 C ATOM 52 C GLY A 4 -4.136 -2.457 2.217 1.00 0.00 C ATOM 53 O GLY A 4 -4.830 -1.904 1.360 1.00 0.00 O ATOM 54 H GLY A 4 -3.740 -0.057 4.277 1.00 0.00 H ATOM 55 HA2 GLY A 4 -4.307 -2.982 4.374 1.00 0.00 H ATOM 56 HA3 GLY A 4 -5.399 -1.726 3.841 1.00 0.00 H ATOM 57 N GLU A 5 -3.185 -3.371 1.906 1.00 0.00 N ATOM 58 CA GLU A 5 -2.868 -3.754 0.502 1.00 0.00 C ATOM 59 C GLU A 5 -3.953 -4.637 -0.177 1.00 0.00 C ATOM 60 O GLU A 5 -4.276 -5.731 0.297 1.00 0.00 O ATOM 61 CB GLU A 5 -1.459 -4.432 0.419 1.00 0.00 C ATOM 62 CG GLU A 5 -0.428 -3.681 -0.453 1.00 0.00 C ATOM 63 CD GLU A 5 0.115 -2.374 0.162 1.00 0.00 C ATOM 64 OE1 GLU A 5 -0.645 -1.422 0.369 1.00 0.00 O ATOM 65 H GLU A 5 -2.574 -3.674 2.676 1.00 0.00 H ATOM 66 HA GLU A 5 -2.801 -2.797 -0.057 1.00 0.00 H ATOM 67 HB2 GLU A 5 -1.017 -4.617 1.418 1.00 0.00 H ATOM 68 HB3 GLU A 5 -1.542 -5.455 -0.002 1.00 0.00 H ATOM 69 HG2 GLU A 5 0.397 -4.379 -0.697 1.00 0.00 H ATOM 70 HG3 GLU A 5 -0.883 -3.447 -1.435 1.00 0.00 H ATOM 71 N SER A 6 -4.492 -4.134 -1.302 1.00 0.00 N ATOM 72 CA SER A 6 -5.521 -4.839 -2.101 1.00 0.00 C ATOM 73 C SER A 6 -5.408 -4.304 -3.556 1.00 0.00 C ATOM 74 O SER A 6 -5.860 -3.192 -3.854 1.00 0.00 O ATOM 75 CB SER A 6 -6.933 -4.644 -1.495 1.00 0.00 C ATOM 76 OG SER A 6 -7.899 -5.399 -2.220 1.00 0.00 O ATOM 77 H SER A 6 -4.152 -3.202 -1.562 1.00 0.00 H ATOM 78 HA SER A 6 -5.299 -5.926 -2.090 1.00 0.00 H ATOM 79 HB2 SER A 6 -6.949 -4.970 -0.438 1.00 0.00 H ATOM 80 HB3 SER A 6 -7.224 -3.576 -1.490 1.00 0.00 H ATOM 81 HG SER A 6 -8.745 -5.236 -1.795 1.00 0.00 H ATOM 82 N GLY A 7 -4.779 -5.092 -4.448 1.00 0.00 N ATOM 83 CA GLY A 7 -4.599 -4.703 -5.869 1.00 0.00 C ATOM 84 C GLY A 7 -3.193 -4.178 -6.218 1.00 0.00 C ATOM 85 O GLY A 7 -2.448 -4.853 -6.933 1.00 0.00 O ATOM 86 H GLY A 7 -4.397 -5.963 -4.064 1.00 0.00 H ATOM 87 HA2 GLY A 7 -4.805 -5.594 -6.491 1.00 0.00 H ATOM 88 HA3 GLY A 7 -5.362 -3.968 -6.196 1.00 0.00 H ATOM 89 N LYS A 8 -2.841 -2.975 -5.723 1.00 0.00 N ATOM 90 CA LYS A 8 -1.521 -2.339 -5.994 1.00 0.00 C ATOM 91 C LYS A 8 -0.313 -3.052 -5.307 1.00 0.00 C ATOM 92 O LYS A 8 -0.333 -3.333 -4.104 1.00 0.00 O ATOM 93 CB LYS A 8 -1.575 -0.816 -5.684 1.00 0.00 C ATOM 94 CG LYS A 8 -1.786 -0.377 -4.213 1.00 0.00 C ATOM 95 CD LYS A 8 -1.839 1.160 -4.063 1.00 0.00 C ATOM 96 CE LYS A 8 -2.107 1.674 -2.635 1.00 0.00 C ATOM 97 NZ LYS A 8 -0.963 1.455 -1.726 1.00 0.00 N ATOM 98 H LYS A 8 -3.553 -2.530 -5.134 1.00 0.00 H ATOM 99 HA LYS A 8 -1.379 -2.393 -7.093 1.00 0.00 H ATOM 100 HB2 LYS A 8 -0.639 -0.356 -6.057 1.00 0.00 H ATOM 101 HB3 LYS A 8 -2.368 -0.361 -6.309 1.00 0.00 H ATOM 102 HG2 LYS A 8 -2.720 -0.822 -3.820 1.00 0.00 H ATOM 103 HG3 LYS A 8 -0.972 -0.784 -3.583 1.00 0.00 H ATOM 104 HD2 LYS A 8 -0.907 1.611 -4.456 1.00 0.00 H ATOM 105 HD3 LYS A 8 -2.641 1.550 -4.719 1.00 0.00 H ATOM 106 HE2 LYS A 8 -2.327 2.759 -2.675 1.00 0.00 H ATOM 107 HE3 LYS A 8 -3.020 1.206 -2.216 1.00 0.00 H ATOM 108 HZ1 LYS A 8 -1.090 1.930 -0.824 1.00 0.00 H ATOM 109 HZ2 LYS A 8 -0.823 0.458 -1.523 1.00 0.00 H ATOM 110 HZ3 LYS A 8 -0.085 1.800 -2.130 1.00 0.00 H ATOM 111 N LEU A 9 0.744 -3.311 -6.098 1.00 0.00 N ATOM 112 CA LEU A 9 1.990 -3.985 -5.624 1.00 0.00 C ATOM 113 C LEU A 9 3.038 -3.146 -4.813 1.00 0.00 C ATOM 114 O LEU A 9 4.060 -3.709 -4.411 1.00 0.00 O ATOM 115 CB LEU A 9 2.616 -4.793 -6.805 1.00 0.00 C ATOM 116 CG LEU A 9 3.253 -4.115 -8.057 1.00 0.00 C ATOM 117 CD1 LEU A 9 2.265 -3.326 -8.937 1.00 0.00 C ATOM 118 CD2 LEU A 9 4.509 -3.272 -7.764 1.00 0.00 C ATOM 119 H LEU A 9 0.619 -3.051 -7.082 1.00 0.00 H ATOM 120 HA LEU A 9 1.674 -4.766 -4.908 1.00 0.00 H ATOM 121 HB2 LEU A 9 3.385 -5.463 -6.373 1.00 0.00 H ATOM 122 HB3 LEU A 9 1.851 -5.508 -7.169 1.00 0.00 H ATOM 123 HG LEU A 9 3.600 -4.959 -8.681 1.00 0.00 H ATOM 124 HD11 LEU A 9 2.723 -3.039 -9.902 1.00 0.00 H ATOM 125 HD12 LEU A 9 1.365 -3.922 -9.176 1.00 0.00 H ATOM 126 HD13 LEU A 9 1.927 -2.391 -8.452 1.00 0.00 H ATOM 127 HD21 LEU A 9 5.239 -3.827 -7.146 1.00 0.00 H ATOM 128 HD22 LEU A 9 5.032 -2.984 -8.694 1.00 0.00 H ATOM 129 HD23 LEU A 9 4.268 -2.335 -7.228 1.00 0.00 H ATOM 130 N ILE A 10 2.807 -1.839 -4.571 1.00 0.00 N ATOM 131 CA ILE A 10 3.720 -0.952 -3.806 1.00 0.00 C ATOM 132 C ILE A 10 2.824 -0.259 -2.726 1.00 0.00 C ATOM 133 O ILE A 10 1.942 0.542 -3.061 1.00 0.00 O ATOM 134 CB ILE A 10 4.567 0.002 -4.720 1.00 0.00 C ATOM 135 CG1 ILE A 10 5.671 0.781 -3.947 1.00 0.00 C ATOM 136 CG2 ILE A 10 3.751 0.993 -5.588 1.00 0.00 C ATOM 137 CD1 ILE A 10 6.698 -0.094 -3.205 1.00 0.00 C ATOM 138 H ILE A 10 1.842 -1.550 -4.737 1.00 0.00 H ATOM 139 HA ILE A 10 4.479 -1.601 -3.329 1.00 0.00 H ATOM 140 HB ILE A 10 5.101 -0.650 -5.439 1.00 0.00 H ATOM 141 HG12 ILE A 10 6.231 1.423 -4.654 1.00 0.00 H ATOM 142 HG13 ILE A 10 5.209 1.483 -3.226 1.00 0.00 H ATOM 143 HG21 ILE A 10 2.985 0.475 -6.193 1.00 0.00 H ATOM 144 HG22 ILE A 10 3.229 1.753 -4.978 1.00 0.00 H ATOM 145 HG23 ILE A 10 4.397 1.539 -6.301 1.00 0.00 H ATOM 146 HD11 ILE A 10 7.146 -0.855 -3.871 1.00 0.00 H ATOM 147 HD12 ILE A 10 7.520 0.514 -2.791 1.00 0.00 H ATOM 148 HD13 ILE A 10 6.242 -0.632 -2.352 1.00 0.00 H HETATM 149 N SET A 11 3.053 -0.555 -1.432 1.00 0.00 N HETATM 150 CA SET A 11 2.247 0.006 -0.313 1.00 0.00 C HETATM 151 CB SET A 11 2.777 1.382 0.200 1.00 0.00 C HETATM 152 OG SET A 11 3.341 1.474 1.295 1.00 0.00 O HETATM 153 NT SET A 11 1.436 -2.319 0.404 1.00 0.00 N HETATM 154 C SET A 11 2.121 -1.065 0.814 1.00 0.00 C HETATM 155 H SET A 11 3.648 -1.364 -1.253 1.00 0.00 H HETATM 156 HA SET A 11 1.198 0.142 -0.644 1.00 0.00 H HETATM 157 HB2 SET A 11 3.123 -1.323 1.207 1.00 0.00 H HETATM 158 HB3 SET A 11 1.589 -0.632 1.682 1.00 0.00 H HETATM 159 HNT2 SET A 11 1.967 -3.165 0.168 1.00 0.00 H ATOM 160 N THR A 12 2.579 2.462 -0.588 1.00 0.00 N ATOM 161 CA THR A 12 3.006 3.840 -0.203 1.00 0.00 C ATOM 162 C THR A 12 1.952 4.487 0.758 1.00 0.00 C ATOM 163 O THR A 12 2.315 4.860 1.875 1.00 0.00 O ATOM 164 CB THR A 12 3.324 4.678 -1.481 1.00 0.00 C ATOM 165 OG1 THR A 12 4.291 4.007 -2.286 1.00 0.00 O ATOM 166 CG2 THR A 12 3.893 6.079 -1.194 1.00 0.00 C ATOM 167 H THR A 12 2.381 2.264 -1.575 1.00 0.00 H ATOM 168 HA THR A 12 3.959 3.766 0.361 1.00 0.00 H ATOM 169 HB THR A 12 2.402 4.797 -2.082 1.00 0.00 H ATOM 170 HG1 THR A 12 4.513 4.613 -2.997 1.00 0.00 H ATOM 171 HG21 THR A 12 4.117 6.624 -2.129 1.00 0.00 H ATOM 172 HG22 THR A 12 3.183 6.703 -0.622 1.00 0.00 H ATOM 173 HG23 THR A 12 4.831 6.028 -0.611 1.00 0.00 H ATOM 174 N THR A 13 0.680 4.628 0.325 1.00 0.00 N ATOM 175 CA THR A 13 -0.417 5.211 1.142 1.00 0.00 C ATOM 176 C THR A 13 -1.705 4.370 0.886 1.00 0.00 C ATOM 177 O THR A 13 -2.166 4.251 -0.256 1.00 0.00 O ATOM 178 CB THR A 13 -0.661 6.719 0.828 1.00 0.00 C ATOM 179 OG1 THR A 13 -0.803 6.956 -0.571 1.00 0.00 O ATOM 180 CG2 THR A 13 0.418 7.670 1.371 1.00 0.00 C ATOM 181 H THR A 13 0.519 4.390 -0.657 1.00 0.00 H ATOM 182 HA THR A 13 -0.157 5.136 2.218 1.00 0.00 H ATOM 183 HB THR A 13 -1.611 7.007 1.307 1.00 0.00 H ATOM 184 HG1 THR A 13 0.068 6.818 -0.950 1.00 0.00 H ATOM 185 HG21 THR A 13 1.405 7.485 0.910 1.00 0.00 H ATOM 186 HG22 THR A 13 0.158 8.726 1.174 1.00 0.00 H ATOM 187 HG23 THR A 13 0.541 7.564 2.465 1.00 0.00 H ATOM 188 N ALA A 14 -2.276 3.782 1.955 1.00 0.00 N ATOM 189 CA ALA A 14 -3.513 2.964 1.868 1.00 0.00 C ATOM 190 C ALA A 14 -4.244 3.035 3.225 1.00 0.00 C ATOM 191 O ALA A 14 -3.880 2.438 4.240 1.00 0.00 O ATOM 192 CB ALA A 14 -3.211 1.507 1.464 1.00 0.00 C ATOM 193 OXT ALA A 14 -5.348 3.846 3.177 1.00 0.00 O ATOM 194 H ALA A 14 -1.802 3.954 2.847 1.00 0.00 H ATOM 195 HA ALA A 14 -4.186 3.389 1.097 1.00 0.00 H ATOM 196 HB1 ALA A 14 -2.740 1.449 0.468 1.00 0.00 H ATOM 197 HB2 ALA A 14 -2.531 1.008 2.176 1.00 0.00 H ATOM 198 HB3 ALA A 14 -4.133 0.898 1.414 1.00 0.00 H ATOM 199 HXT ALA A 14 -5.789 3.884 4.028 1.00 0.00 H TER 200 ALA A 14