HETATM 1 C ACE A 1 2.387 -5.845 -9.826 1.00 0.00 C HETATM 2 O ACE A 1 1.584 -5.122 -9.232 1.00 0.00 O HETATM 3 CH3 ACE A 1 3.018 -5.388 -11.137 1.00 0.00 C HETATM 4 H1 ACE A 1 4.118 -5.320 -11.055 1.00 0.00 H HETATM 5 H2 ACE A 1 2.778 -6.081 -11.966 1.00 0.00 H HETATM 6 H3 ACE A 1 2.648 -4.388 -11.429 1.00 0.00 H ATOM 7 N ILE A 2 2.773 -7.053 -9.390 1.00 0.00 N ATOM 8 CA ILE A 2 2.260 -7.663 -8.127 1.00 0.00 C ATOM 9 C ILE A 2 3.218 -7.249 -6.963 1.00 0.00 C ATOM 10 O ILE A 2 4.443 -7.395 -7.046 1.00 0.00 O ATOM 11 CB ILE A 2 2.092 -9.222 -8.224 1.00 0.00 C ATOM 12 CG1 ILE A 2 1.377 -9.763 -9.503 1.00 0.00 C ATOM 13 CG2 ILE A 2 1.429 -9.843 -6.965 1.00 0.00 C ATOM 14 CD1 ILE A 2 -0.061 -9.272 -9.756 1.00 0.00 C ATOM 15 H ILE A 2 3.459 -7.527 -9.988 1.00 0.00 H ATOM 16 HA ILE A 2 1.240 -7.267 -7.939 1.00 0.00 H ATOM 17 HB ILE A 2 3.116 -9.632 -8.244 1.00 0.00 H ATOM 18 HG12 ILE A 2 1.987 -9.514 -10.391 1.00 0.00 H ATOM 19 HG13 ILE A 2 1.374 -10.870 -9.484 1.00 0.00 H ATOM 20 HG21 ILE A 2 0.410 -9.450 -6.795 1.00 0.00 H ATOM 21 HG22 ILE A 2 1.348 -10.944 -7.041 1.00 0.00 H ATOM 22 HG23 ILE A 2 2.011 -9.640 -6.048 1.00 0.00 H ATOM 23 HD11 ILE A 2 -0.470 -9.705 -10.686 1.00 0.00 H ATOM 24 HD12 ILE A 2 -0.746 -9.557 -8.936 1.00 0.00 H ATOM 25 HD13 ILE A 2 -0.107 -8.173 -9.862 1.00 0.00 H ATOM 26 N TRP A 3 2.617 -6.746 -5.877 1.00 0.00 N ATOM 27 CA TRP A 3 3.351 -6.298 -4.658 1.00 0.00 C ATOM 28 C TRP A 3 2.478 -6.485 -3.371 1.00 0.00 C ATOM 29 O TRP A 3 1.265 -6.722 -3.432 1.00 0.00 O ATOM 30 CB TRP A 3 3.954 -4.868 -4.849 1.00 0.00 C ATOM 31 CG TRP A 3 2.985 -3.675 -4.810 1.00 0.00 C ATOM 32 CD1 TRP A 3 2.115 -3.274 -5.845 1.00 0.00 C ATOM 33 CD2 TRP A 3 2.767 -2.781 -3.776 1.00 0.00 C ATOM 34 NE1 TRP A 3 1.339 -2.161 -5.475 1.00 0.00 N ATOM 35 CE2 TRP A 3 1.760 -1.873 -4.188 1.00 0.00 C ATOM 36 CE3 TRP A 3 3.353 -2.666 -2.487 1.00 0.00 C ATOM 37 CZ2 TRP A 3 1.323 -0.854 -3.313 1.00 0.00 C ATOM 38 CZ3 TRP A 3 2.905 -1.651 -1.642 1.00 0.00 C ATOM 39 CH2 TRP A 3 1.905 -0.759 -2.047 1.00 0.00 C ATOM 40 H TRP A 3 1.599 -6.858 -5.903 1.00 0.00 H ATOM 41 HA TRP A 3 4.215 -6.981 -4.527 1.00 0.00 H ATOM 42 HB2 TRP A 3 4.733 -4.716 -4.078 1.00 0.00 H ATOM 43 HB3 TRP A 3 4.525 -4.829 -5.796 1.00 0.00 H ATOM 44 HD1 TRP A 3 2.047 -3.762 -6.805 1.00 0.00 H ATOM 45 HE1 TRP A 3 0.637 -1.660 -6.032 1.00 0.00 H ATOM 46 HE3 TRP A 3 4.118 -3.353 -2.156 1.00 0.00 H ATOM 47 HZ2 TRP A 3 0.549 -0.167 -3.618 1.00 0.00 H ATOM 48 HZ3 TRP A 3 3.336 -1.557 -0.657 1.00 0.00 H ATOM 49 HH2 TRP A 3 1.577 0.012 -1.366 1.00 0.00 H ATOM 50 N GLY A 4 3.117 -6.361 -2.193 1.00 0.00 N ATOM 51 CA GLY A 4 2.432 -6.518 -0.885 1.00 0.00 C ATOM 52 C GLY A 4 1.584 -5.324 -0.395 1.00 0.00 C ATOM 53 O GLY A 4 1.089 -4.507 -1.177 1.00 0.00 O ATOM 54 H GLY A 4 4.112 -6.126 -2.268 1.00 0.00 H ATOM 55 HA2 GLY A 4 1.788 -7.417 -0.896 1.00 0.00 H ATOM 56 HA3 GLY A 4 3.219 -6.736 -0.137 1.00 0.00 H HETATM 57 N SET A 5 1.398 -5.279 0.934 1.00 0.00 N HETATM 58 CA SET A 5 0.618 -4.212 1.613 1.00 0.00 C HETATM 59 CB SET A 5 1.614 -3.410 2.495 1.00 0.00 C HETATM 60 OG SET A 5 2.029 -3.877 3.562 1.00 0.00 O HETATM 61 NT SET A 5 -1.595 -3.874 2.774 1.00 0.00 N HETATM 62 C SET A 5 -0.555 -4.863 2.405 1.00 0.00 C HETATM 63 H SET A 5 1.864 -6.026 1.460 1.00 0.00 H HETATM 64 HA SET A 5 0.168 -3.534 0.856 1.00 0.00 H HETATM 65 HB2 SET A 5 -1.017 -5.684 1.820 1.00 0.00 H HETATM 66 HB3 SET A 5 -0.183 -5.356 3.323 1.00 0.00 H HETATM 67 HNT2 SET A 5 -1.516 -3.281 3.607 1.00 0.00 H ATOM 68 N SER A 6 2.015 -2.215 2.023 1.00 0.00 N ATOM 69 CA SER A 6 2.983 -1.344 2.737 1.00 0.00 C ATOM 70 C SER A 6 2.810 0.122 2.254 1.00 0.00 C ATOM 71 O SER A 6 2.691 0.401 1.055 1.00 0.00 O ATOM 72 CB SER A 6 4.435 -1.833 2.500 1.00 0.00 C ATOM 73 OG SER A 6 5.358 -1.093 3.294 1.00 0.00 O ATOM 74 H SER A 6 1.479 -1.859 1.224 1.00 0.00 H ATOM 75 HA SER A 6 2.776 -1.406 3.826 1.00 0.00 H ATOM 76 HB2 SER A 6 4.532 -2.904 2.760 1.00 0.00 H ATOM 77 HB3 SER A 6 4.715 -1.751 1.432 1.00 0.00 H ATOM 78 HG SER A 6 6.229 -1.451 3.101 1.00 0.00 H ATOM 79 N GLY A 7 2.826 1.058 3.211 1.00 0.00 N ATOM 80 CA GLY A 7 2.679 2.493 2.902 1.00 0.00 C ATOM 81 C GLY A 7 2.490 3.317 4.179 1.00 0.00 C ATOM 82 O GLY A 7 3.474 3.742 4.791 1.00 0.00 O ATOM 83 H GLY A 7 2.988 0.706 4.161 1.00 0.00 H ATOM 84 HA2 GLY A 7 3.582 2.852 2.371 1.00 0.00 H ATOM 85 HA3 GLY A 7 1.839 2.652 2.200 1.00 0.00 H ATOM 86 N LYS A 8 1.220 3.555 4.553 1.00 0.00 N ATOM 87 CA LYS A 8 0.882 4.340 5.777 1.00 0.00 C ATOM 88 C LYS A 8 -0.547 3.936 6.250 1.00 0.00 C ATOM 89 O LYS A 8 -0.682 2.900 6.907 1.00 0.00 O ATOM 90 CB LYS A 8 1.176 5.867 5.582 1.00 0.00 C ATOM 91 CG LYS A 8 1.101 6.758 6.848 1.00 0.00 C ATOM 92 CD LYS A 8 2.088 6.436 7.994 1.00 0.00 C ATOM 93 CE LYS A 8 3.578 6.590 7.626 1.00 0.00 C ATOM 94 NZ LYS A 8 4.444 6.317 8.791 1.00 0.00 N ATOM 95 H LYS A 8 0.543 2.969 4.044 1.00 0.00 H ATOM 96 HA LYS A 8 1.558 3.989 6.582 1.00 0.00 H ATOM 97 HB2 LYS A 8 2.177 6.004 5.132 1.00 0.00 H ATOM 98 HB3 LYS A 8 0.488 6.277 4.819 1.00 0.00 H ATOM 99 HG2 LYS A 8 1.240 7.813 6.544 1.00 0.00 H ATOM 100 HG3 LYS A 8 0.072 6.724 7.252 1.00 0.00 H ATOM 101 HD2 LYS A 8 1.850 7.105 8.843 1.00 0.00 H ATOM 102 HD3 LYS A 8 1.891 5.415 8.373 1.00 0.00 H ATOM 103 HE2 LYS A 8 3.846 5.899 6.802 1.00 0.00 H ATOM 104 HE3 LYS A 8 3.777 7.611 7.245 1.00 0.00 H ATOM 105 HZ1 LYS A 8 4.311 5.365 9.151 1.00 0.00 H ATOM 106 HZ2 LYS A 8 5.441 6.415 8.564 1.00 0.00 H ATOM 107 HZ3 LYS A 8 4.251 6.958 9.570 1.00 0.00 H ATOM 108 N LEU A 9 -1.600 4.723 5.935 1.00 0.00 N ATOM 109 CA LEU A 9 -3.004 4.409 6.333 1.00 0.00 C ATOM 110 C LEU A 9 -3.693 3.376 5.377 1.00 0.00 C ATOM 111 O LEU A 9 -4.379 2.485 5.887 1.00 0.00 O ATOM 112 CB LEU A 9 -3.785 5.741 6.570 1.00 0.00 C ATOM 113 CG LEU A 9 -5.266 5.629 7.033 1.00 0.00 C ATOM 114 CD1 LEU A 9 -5.420 4.972 8.419 1.00 0.00 C ATOM 115 CD2 LEU A 9 -5.939 7.016 7.039 1.00 0.00 C ATOM 116 H LEU A 9 -1.367 5.561 5.392 1.00 0.00 H ATOM 117 HA LEU A 9 -2.963 3.919 7.326 1.00 0.00 H ATOM 118 HB2 LEU A 9 -3.244 6.353 7.325 1.00 0.00 H ATOM 119 HB3 LEU A 9 -3.751 6.355 5.650 1.00 0.00 H ATOM 120 HG LEU A 9 -5.817 5.009 6.300 1.00 0.00 H ATOM 121 HD11 LEU A 9 -5.036 3.935 8.427 1.00 0.00 H ATOM 122 HD12 LEU A 9 -4.879 5.529 9.207 1.00 0.00 H ATOM 123 HD13 LEU A 9 -6.481 4.912 8.729 1.00 0.00 H ATOM 124 HD21 LEU A 9 -5.456 7.711 7.751 1.00 0.00 H ATOM 125 HD22 LEU A 9 -5.901 7.492 6.041 1.00 0.00 H ATOM 126 HD23 LEU A 9 -7.007 6.952 7.317 1.00 0.00 H ATOM 127 N ILE A 10 -3.544 3.481 4.035 1.00 0.00 N ATOM 128 CA ILE A 10 -4.143 2.516 3.067 1.00 0.00 C ATOM 129 C ILE A 10 -3.061 1.448 2.700 1.00 0.00 C ATOM 130 O ILE A 10 -1.860 1.742 2.626 1.00 0.00 O ATOM 131 CB ILE A 10 -4.775 3.218 1.809 1.00 0.00 C ATOM 132 CG1 ILE A 10 -3.778 4.030 0.929 1.00 0.00 C ATOM 133 CG2 ILE A 10 -6.017 4.060 2.196 1.00 0.00 C ATOM 134 CD1 ILE A 10 -4.269 4.359 -0.490 1.00 0.00 C ATOM 135 H ILE A 10 -2.795 4.103 3.714 1.00 0.00 H ATOM 136 HA ILE A 10 -4.978 1.981 3.565 1.00 0.00 H ATOM 137 HB ILE A 10 -5.163 2.405 1.166 1.00 0.00 H ATOM 138 HG12 ILE A 10 -3.479 4.962 1.445 1.00 0.00 H ATOM 139 HG13 ILE A 10 -2.843 3.454 0.812 1.00 0.00 H ATOM 140 HG21 ILE A 10 -5.747 4.941 2.808 1.00 0.00 H ATOM 141 HG22 ILE A 10 -6.560 4.433 1.308 1.00 0.00 H ATOM 142 HG23 ILE A 10 -6.746 3.469 2.782 1.00 0.00 H ATOM 143 HD11 ILE A 10 -4.533 3.443 -1.051 1.00 0.00 H ATOM 144 HD12 ILE A 10 -5.158 5.014 -0.482 1.00 0.00 H ATOM 145 HD13 ILE A 10 -3.486 4.880 -1.070 1.00 0.00 H ATOM 146 N ASP A 11 -3.500 0.201 2.450 1.00 0.00 N ATOM 147 CA ASP A 11 -2.587 -0.916 2.083 1.00 0.00 C ATOM 148 C ASP A 11 -1.896 -0.730 0.690 1.00 0.00 C ATOM 149 O ASP A 11 -0.663 -0.736 0.626 1.00 0.00 O ATOM 150 CB ASP A 11 -3.368 -2.254 2.261 1.00 0.00 C ATOM 151 CG ASP A 11 -2.572 -3.525 1.922 1.00 0.00 C ATOM 152 OD1 ASP A 11 -2.807 -4.128 0.871 1.00 0.00 O ATOM 153 H ASP A 11 -4.516 0.073 2.497 1.00 0.00 H ATOM 154 HA ASP A 11 -1.773 -0.934 2.835 1.00 0.00 H ATOM 155 HB2 ASP A 11 -3.751 -2.339 3.297 1.00 0.00 H ATOM 156 HB3 ASP A 11 -4.276 -2.243 1.628 1.00 0.00 H ATOM 157 N THR A 12 -2.680 -0.567 -0.394 1.00 0.00 N ATOM 158 CA THR A 12 -2.143 -0.381 -1.767 1.00 0.00 C ATOM 159 C THR A 12 -1.977 1.134 -2.108 1.00 0.00 C ATOM 160 O THR A 12 -2.881 1.776 -2.651 1.00 0.00 O ATOM 161 CB THR A 12 -2.965 -1.222 -2.792 1.00 0.00 C ATOM 162 OG1 THR A 12 -2.386 -1.087 -4.086 1.00 0.00 O ATOM 163 CG2 THR A 12 -4.475 -0.929 -2.912 1.00 0.00 C ATOM 164 H THR A 12 -3.688 -0.576 -0.202 1.00 0.00 H ATOM 165 HA THR A 12 -1.136 -0.843 -1.814 1.00 0.00 H ATOM 166 HB THR A 12 -2.867 -2.287 -2.504 1.00 0.00 H ATOM 167 HG1 THR A 12 -2.556 -0.182 -4.359 1.00 0.00 H ATOM 168 HG21 THR A 12 -4.679 0.101 -3.254 1.00 0.00 H ATOM 169 HG22 THR A 12 -4.958 -1.613 -3.634 1.00 0.00 H ATOM 170 HG23 THR A 12 -4.997 -1.064 -1.946 1.00 0.00 H ATOM 171 N THR A 13 -0.797 1.695 -1.780 1.00 0.00 N ATOM 172 CA THR A 13 -0.455 3.123 -2.058 1.00 0.00 C ATOM 173 C THR A 13 -0.031 3.343 -3.546 1.00 0.00 C ATOM 174 O THR A 13 -0.665 4.144 -4.238 1.00 0.00 O ATOM 175 CB THR A 13 0.594 3.695 -1.053 1.00 0.00 C ATOM 176 OG1 THR A 13 1.746 2.858 -0.969 1.00 0.00 O ATOM 177 CG2 THR A 13 0.051 3.918 0.368 1.00 0.00 C ATOM 178 H THR A 13 -0.151 1.074 -1.280 1.00 0.00 H ATOM 179 HA THR A 13 -1.372 3.730 -1.915 1.00 0.00 H ATOM 180 HB THR A 13 0.922 4.687 -1.419 1.00 0.00 H ATOM 181 HG1 THR A 13 2.320 3.258 -0.311 1.00 0.00 H ATOM 182 HG21 THR A 13 -0.819 4.599 0.366 1.00 0.00 H ATOM 183 HG22 THR A 13 -0.266 2.970 0.841 1.00 0.00 H ATOM 184 HG23 THR A 13 0.813 4.379 1.022 1.00 0.00 H ATOM 185 N ALA A 14 1.017 2.645 -4.034 1.00 0.00 N ATOM 186 CA ALA A 14 1.499 2.764 -5.431 1.00 0.00 C ATOM 187 C ALA A 14 0.610 1.975 -6.423 1.00 0.00 C ATOM 188 O ALA A 14 0.305 0.789 -6.288 1.00 0.00 O ATOM 189 CB ALA A 14 2.953 2.261 -5.482 1.00 0.00 C ATOM 190 OXT ALA A 14 0.196 2.751 -7.473 1.00 0.00 O ATOM 191 H ALA A 14 1.470 2.025 -3.353 1.00 0.00 H ATOM 192 HA ALA A 14 1.509 3.834 -5.722 1.00 0.00 H ATOM 193 HB1 ALA A 14 3.041 1.194 -5.197 1.00 0.00 H ATOM 194 HB2 ALA A 14 3.381 2.361 -6.497 1.00 0.00 H ATOM 195 HB3 ALA A 14 3.612 2.837 -4.804 1.00 0.00 H ATOM 196 HXT ALA A 14 -0.358 2.251 -8.076 1.00 0.00 H TER 197 ALA A 14