HETATM 1 C ACE A 1 3.208 -5.433 -11.086 1.00 0.00 C HETATM 2 O ACE A 1 4.229 -6.039 -11.417 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.832 -6.042 -11.339 1.00 0.00 C HETATM 4 H1 ACE A 1 1.918 -7.032 -11.822 1.00 0.00 H HETATM 5 H2 ACE A 1 1.272 -6.185 -10.396 1.00 0.00 H HETATM 6 H3 ACE A 1 1.223 -5.403 -12.005 1.00 0.00 H ATOM 7 N ILE A 2 3.201 -4.230 -10.499 1.00 0.00 N ATOM 8 CA ILE A 2 4.445 -3.465 -10.166 1.00 0.00 C ATOM 9 C ILE A 2 4.495 -3.022 -8.667 1.00 0.00 C ATOM 10 O ILE A 2 5.513 -3.267 -8.013 1.00 0.00 O ATOM 11 CB ILE A 2 4.799 -2.314 -11.180 1.00 0.00 C ATOM 12 CG1 ILE A 2 3.780 -1.146 -11.365 1.00 0.00 C ATOM 13 CG2 ILE A 2 5.304 -2.856 -12.540 1.00 0.00 C ATOM 14 CD1 ILE A 2 2.498 -1.411 -12.178 1.00 0.00 C ATOM 15 H ILE A 2 2.265 -3.859 -10.307 1.00 0.00 H ATOM 16 HA ILE A 2 5.299 -4.170 -10.235 1.00 0.00 H ATOM 17 HB ILE A 2 5.695 -1.825 -10.748 1.00 0.00 H ATOM 18 HG12 ILE A 2 3.495 -0.742 -10.376 1.00 0.00 H ATOM 19 HG13 ILE A 2 4.308 -0.304 -11.852 1.00 0.00 H ATOM 20 HG21 ILE A 2 5.659 -2.044 -13.201 1.00 0.00 H ATOM 21 HG22 ILE A 2 6.151 -3.555 -12.412 1.00 0.00 H ATOM 22 HG23 ILE A 2 4.515 -3.404 -13.087 1.00 0.00 H ATOM 23 HD11 ILE A 2 2.722 -1.753 -13.205 1.00 0.00 H ATOM 24 HD12 ILE A 2 1.848 -2.170 -11.709 1.00 0.00 H ATOM 25 HD13 ILE A 2 1.895 -0.489 -12.277 1.00 0.00 H ATOM 26 N TRP A 3 3.441 -2.380 -8.116 1.00 0.00 N ATOM 27 CA TRP A 3 3.414 -1.924 -6.698 1.00 0.00 C ATOM 28 C TRP A 3 3.134 -3.063 -5.667 1.00 0.00 C ATOM 29 O TRP A 3 3.938 -3.241 -4.748 1.00 0.00 O ATOM 30 CB TRP A 3 2.429 -0.722 -6.580 1.00 0.00 C ATOM 31 CG TRP A 3 2.436 0.022 -5.232 1.00 0.00 C ATOM 32 CD1 TRP A 3 3.551 0.674 -4.661 1.00 0.00 C ATOM 33 CD2 TRP A 3 1.387 0.249 -4.352 1.00 0.00 C ATOM 34 NE1 TRP A 3 3.229 1.302 -3.444 1.00 0.00 N ATOM 35 CE2 TRP A 3 1.881 1.034 -3.277 1.00 0.00 C ATOM 36 CE3 TRP A 3 0.017 -0.125 -4.393 1.00 0.00 C ATOM 37 CZ2 TRP A 3 1.009 1.459 -2.248 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -0.818 0.293 -3.357 1.00 0.00 C ATOM 39 CH2 TRP A 3 -0.330 1.074 -2.303 1.00 0.00 C ATOM 40 H TRP A 3 2.653 -2.220 -8.750 1.00 0.00 H ATOM 41 HA TRP A 3 4.419 -1.520 -6.460 1.00 0.00 H ATOM 42 HB2 TRP A 3 2.661 0.025 -7.364 1.00 0.00 H ATOM 43 HB3 TRP A 3 1.401 -1.058 -6.816 1.00 0.00 H ATOM 44 HD1 TRP A 3 4.535 0.695 -5.107 1.00 0.00 H ATOM 45 HE1 TRP A 3 3.843 1.852 -2.834 1.00 0.00 H ATOM 46 HE3 TRP A 3 -0.387 -0.705 -5.208 1.00 0.00 H ATOM 47 HZ2 TRP A 3 1.371 2.069 -1.434 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -1.861 0.012 -3.370 1.00 0.00 H ATOM 49 HH2 TRP A 3 -1.002 1.377 -1.514 1.00 0.00 H ATOM 50 N GLY A 4 2.011 -3.801 -5.795 1.00 0.00 N ATOM 51 CA GLY A 4 1.656 -4.888 -4.853 1.00 0.00 C ATOM 52 C GLY A 4 0.870 -4.367 -3.634 1.00 0.00 C ATOM 53 O GLY A 4 -0.364 -4.365 -3.644 1.00 0.00 O ATOM 54 H GLY A 4 1.477 -3.626 -6.653 1.00 0.00 H ATOM 55 HA2 GLY A 4 1.030 -5.625 -5.389 1.00 0.00 H ATOM 56 HA3 GLY A 4 2.553 -5.460 -4.540 1.00 0.00 H ATOM 57 N ASP A 5 1.605 -3.943 -2.591 1.00 0.00 N ATOM 58 CA ASP A 5 1.018 -3.395 -1.337 1.00 0.00 C ATOM 59 C ASP A 5 1.927 -2.238 -0.772 1.00 0.00 C ATOM 60 O ASP A 5 3.090 -2.084 -1.166 1.00 0.00 O ATOM 61 CB ASP A 5 0.826 -4.580 -0.331 1.00 0.00 C ATOM 62 CG ASP A 5 0.068 -4.239 0.967 1.00 0.00 C ATOM 63 OD1 ASP A 5 0.688 -4.048 2.016 1.00 0.00 O ATOM 64 H ASP A 5 2.619 -3.948 -2.754 1.00 0.00 H ATOM 65 HA ASP A 5 0.021 -2.985 -1.606 1.00 0.00 H ATOM 66 HB2 ASP A 5 0.303 -5.421 -0.828 1.00 0.00 H ATOM 67 HB3 ASP A 5 1.814 -4.996 -0.057 1.00 0.00 H ATOM 68 N SER A 6 1.411 -1.420 0.176 1.00 0.00 N ATOM 69 CA SER A 6 2.178 -0.308 0.800 1.00 0.00 C ATOM 70 C SER A 6 3.245 -0.749 1.853 1.00 0.00 C ATOM 71 O SER A 6 4.397 -0.318 1.752 1.00 0.00 O ATOM 72 CB SER A 6 1.158 0.681 1.412 1.00 0.00 C ATOM 73 OG SER A 6 1.800 1.876 1.846 1.00 0.00 O ATOM 74 H SER A 6 0.458 -1.608 0.505 1.00 0.00 H ATOM 75 HA SER A 6 2.709 0.237 -0.005 1.00 0.00 H ATOM 76 HB2 SER A 6 0.370 0.943 0.681 1.00 0.00 H ATOM 77 HB3 SER A 6 0.624 0.227 2.269 1.00 0.00 H ATOM 78 HG SER A 6 2.231 2.249 1.074 1.00 0.00 H ATOM 79 N GLY A 7 2.870 -1.572 2.855 1.00 0.00 N ATOM 80 CA GLY A 7 3.794 -2.028 3.923 1.00 0.00 C ATOM 81 C GLY A 7 3.922 -1.046 5.112 1.00 0.00 C ATOM 82 O GLY A 7 5.037 -0.649 5.460 1.00 0.00 O ATOM 83 H GLY A 7 1.893 -1.881 2.826 1.00 0.00 H ATOM 84 HA2 GLY A 7 3.439 -3.003 4.304 1.00 0.00 H ATOM 85 HA3 GLY A 7 4.797 -2.240 3.504 1.00 0.00 H ATOM 86 N LYS A 8 2.784 -0.668 5.727 1.00 0.00 N ATOM 87 CA LYS A 8 2.738 0.274 6.879 1.00 0.00 C ATOM 88 C LYS A 8 1.391 0.086 7.642 1.00 0.00 C ATOM 89 O LYS A 8 1.414 -0.361 8.792 1.00 0.00 O ATOM 90 CB LYS A 8 3.029 1.745 6.440 1.00 0.00 C ATOM 91 CG LYS A 8 3.224 2.778 7.577 1.00 0.00 C ATOM 92 CD LYS A 8 4.427 2.581 8.532 1.00 0.00 C ATOM 93 CE LYS A 8 5.835 2.772 7.928 1.00 0.00 C ATOM 94 NZ LYS A 8 6.348 1.559 7.254 1.00 0.00 N ATOM 95 H LYS A 8 1.933 -1.080 5.329 1.00 0.00 H ATOM 96 HA LYS A 8 3.540 -0.029 7.580 1.00 0.00 H ATOM 97 HB2 LYS A 8 3.919 1.779 5.786 1.00 0.00 H ATOM 98 HB3 LYS A 8 2.209 2.098 5.785 1.00 0.00 H ATOM 99 HG2 LYS A 8 3.287 3.788 7.129 1.00 0.00 H ATOM 100 HG3 LYS A 8 2.302 2.807 8.187 1.00 0.00 H ATOM 101 HD2 LYS A 8 4.315 3.330 9.338 1.00 0.00 H ATOM 102 HD3 LYS A 8 4.349 1.611 9.061 1.00 0.00 H ATOM 103 HE2 LYS A 8 5.846 3.630 7.228 1.00 0.00 H ATOM 104 HE3 LYS A 8 6.541 3.048 8.736 1.00 0.00 H ATOM 105 HZ1 LYS A 8 7.274 1.707 6.835 1.00 0.00 H ATOM 106 HZ2 LYS A 8 6.438 0.769 7.905 1.00 0.00 H ATOM 107 HZ3 LYS A 8 5.727 1.241 6.500 1.00 0.00 H ATOM 108 N LEU A 9 0.238 0.435 7.025 1.00 0.00 N ATOM 109 CA LEU A 9 -1.108 0.297 7.653 1.00 0.00 C ATOM 110 C LEU A 9 -2.207 -0.089 6.614 1.00 0.00 C ATOM 111 O LEU A 9 -2.828 -1.145 6.765 1.00 0.00 O ATOM 112 CB LEU A 9 -1.474 1.476 8.613 1.00 0.00 C ATOM 113 CG LEU A 9 -1.879 2.877 8.060 1.00 0.00 C ATOM 114 CD1 LEU A 9 -2.357 3.785 9.210 1.00 0.00 C ATOM 115 CD2 LEU A 9 -0.765 3.596 7.274 1.00 0.00 C ATOM 116 H LEU A 9 0.356 0.791 6.071 1.00 0.00 H ATOM 117 HA LEU A 9 -1.055 -0.587 8.321 1.00 0.00 H ATOM 118 HB2 LEU A 9 -2.313 1.113 9.238 1.00 0.00 H ATOM 119 HB3 LEU A 9 -0.648 1.606 9.339 1.00 0.00 H ATOM 120 HG LEU A 9 -2.744 2.750 7.382 1.00 0.00 H ATOM 121 HD11 LEU A 9 -1.556 3.981 9.948 1.00 0.00 H ATOM 122 HD12 LEU A 9 -2.708 4.767 8.839 1.00 0.00 H ATOM 123 HD13 LEU A 9 -3.205 3.336 9.760 1.00 0.00 H ATOM 124 HD21 LEU A 9 -1.094 4.590 6.915 1.00 0.00 H ATOM 125 HD22 LEU A 9 0.140 3.754 7.889 1.00 0.00 H ATOM 126 HD23 LEU A 9 -0.460 3.030 6.376 1.00 0.00 H ATOM 127 N ILE A 10 -2.440 0.738 5.571 1.00 0.00 N ATOM 128 CA ILE A 10 -3.467 0.483 4.518 1.00 0.00 C ATOM 129 C ILE A 10 -2.712 0.030 3.227 1.00 0.00 C ATOM 130 O ILE A 10 -2.028 0.824 2.573 1.00 0.00 O ATOM 131 CB ILE A 10 -4.432 1.720 4.415 1.00 0.00 C ATOM 132 CG1 ILE A 10 -5.814 1.410 3.769 1.00 0.00 C ATOM 133 CG2 ILE A 10 -3.812 3.033 3.874 1.00 0.00 C ATOM 134 CD1 ILE A 10 -5.864 1.171 2.253 1.00 0.00 C ATOM 135 H ILE A 10 -1.867 1.588 5.567 1.00 0.00 H ATOM 136 HA ILE A 10 -4.116 -0.353 4.853 1.00 0.00 H ATOM 137 HB ILE A 10 -4.707 1.962 5.462 1.00 0.00 H ATOM 138 HG12 ILE A 10 -6.264 0.536 4.276 1.00 0.00 H ATOM 139 HG13 ILE A 10 -6.505 2.242 4.001 1.00 0.00 H ATOM 140 HG21 ILE A 10 -4.523 3.878 3.932 1.00 0.00 H ATOM 141 HG22 ILE A 10 -2.915 3.331 4.447 1.00 0.00 H ATOM 142 HG23 ILE A 10 -3.505 2.941 2.817 1.00 0.00 H ATOM 143 HD11 ILE A 10 -5.507 2.052 1.692 1.00 0.00 H ATOM 144 HD12 ILE A 10 -5.255 0.305 1.944 1.00 0.00 H ATOM 145 HD13 ILE A 10 -6.900 0.980 1.918 1.00 0.00 H HETATM 146 N SET A 11 -2.844 -1.264 2.875 1.00 0.00 N HETATM 147 CA SET A 11 -2.159 -1.865 1.696 1.00 0.00 C HETATM 148 CB SET A 11 -2.710 -1.471 0.289 1.00 0.00 C HETATM 149 OG SET A 11 -1.928 -0.994 -0.535 1.00 0.00 O HETATM 150 NT SET A 11 -1.260 -4.102 0.856 1.00 0.00 N HETATM 151 C SET A 11 -2.075 -3.409 1.901 1.00 0.00 C HETATM 152 H SET A 11 -3.421 -1.823 3.513 1.00 0.00 H HETATM 153 HA SET A 11 -1.110 -1.507 1.728 1.00 0.00 H HETATM 154 HB2 SET A 11 -1.683 -3.628 2.919 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.097 -3.835 1.919 1.00 0.00 H HETATM 156 HNT2 SET A 11 -1.597 -4.300 -0.099 1.00 0.00 H ATOM 157 N THR A 12 -4.010 -1.683 0.011 1.00 0.00 N ATOM 158 CA THR A 12 -4.626 -1.392 -1.322 1.00 0.00 C ATOM 159 C THR A 12 -4.567 0.045 -1.939 1.00 0.00 C ATOM 160 O THR A 12 -4.634 0.163 -3.167 1.00 0.00 O ATOM 161 CB THR A 12 -6.051 -2.028 -1.366 1.00 0.00 C ATOM 162 OG1 THR A 12 -6.513 -2.094 -2.712 1.00 0.00 O ATOM 163 CG2 THR A 12 -7.136 -1.320 -0.531 1.00 0.00 C ATOM 164 H THR A 12 -4.516 -2.207 0.734 1.00 0.00 H ATOM 165 HA THR A 12 -4.019 -1.976 -2.030 1.00 0.00 H ATOM 166 HB THR A 12 -5.984 -3.073 -1.005 1.00 0.00 H ATOM 167 HG1 THR A 12 -7.403 -2.451 -2.671 1.00 0.00 H ATOM 168 HG21 THR A 12 -7.306 -0.282 -0.872 1.00 0.00 H ATOM 169 HG22 THR A 12 -8.105 -1.848 -0.597 1.00 0.00 H ATOM 170 HG23 THR A 12 -6.864 -1.277 0.539 1.00 0.00 H ATOM 171 N THR A 13 -4.448 1.108 -1.129 1.00 0.00 N ATOM 172 CA THR A 13 -4.391 2.510 -1.639 1.00 0.00 C ATOM 173 C THR A 13 -3.603 3.418 -0.648 1.00 0.00 C ATOM 174 O THR A 13 -4.087 3.746 0.438 1.00 0.00 O ATOM 175 CB THR A 13 -5.798 3.064 -2.044 1.00 0.00 C ATOM 176 OG1 THR A 13 -5.653 4.347 -2.644 1.00 0.00 O ATOM 177 CG2 THR A 13 -6.866 3.177 -0.939 1.00 0.00 C ATOM 178 H THR A 13 -4.210 0.827 -0.172 1.00 0.00 H ATOM 179 HA THR A 13 -3.818 2.487 -2.590 1.00 0.00 H ATOM 180 HB THR A 13 -6.214 2.391 -2.819 1.00 0.00 H ATOM 181 HG1 THR A 13 -5.115 4.220 -3.429 1.00 0.00 H ATOM 182 HG21 THR A 13 -7.052 2.204 -0.449 1.00 0.00 H ATOM 183 HG22 THR A 13 -6.579 3.897 -0.152 1.00 0.00 H ATOM 184 HG23 THR A 13 -7.832 3.520 -1.353 1.00 0.00 H ATOM 185 N ALA A 14 -2.383 3.826 -1.042 1.00 0.00 N ATOM 186 CA ALA A 14 -1.514 4.703 -0.219 1.00 0.00 C ATOM 187 C ALA A 14 -0.561 5.467 -1.160 1.00 0.00 C ATOM 188 O ALA A 14 0.337 4.934 -1.816 1.00 0.00 O ATOM 189 CB ALA A 14 -0.728 3.892 0.829 1.00 0.00 C ATOM 190 OXT ALA A 14 -0.826 6.812 -1.187 1.00 0.00 O ATOM 191 H ALA A 14 -2.076 3.450 -1.945 1.00 0.00 H ATOM 192 HA ALA A 14 -2.139 5.442 0.322 1.00 0.00 H ATOM 193 HB1 ALA A 14 -1.400 3.331 1.504 1.00 0.00 H ATOM 194 HB2 ALA A 14 -0.053 3.159 0.353 1.00 0.00 H ATOM 195 HB3 ALA A 14 -0.105 4.545 1.467 1.00 0.00 H ATOM 196 HXT ALA A 14 -0.226 7.272 -1.779 1.00 0.00 H TER 197 ALA A 14