HETATM 1 C ACE A 1 4.446 -6.438 -10.582 1.00 0.00 C HETATM 2 O ACE A 1 3.515 -5.675 -10.847 1.00 0.00 O HETATM 3 CH3 ACE A 1 5.608 -6.608 -11.555 1.00 0.00 C HETATM 4 H1 ACE A 1 5.702 -7.656 -11.896 1.00 0.00 H HETATM 5 H2 ACE A 1 5.467 -5.983 -12.456 1.00 0.00 H HETATM 6 H3 ACE A 1 6.569 -6.310 -11.096 1.00 0.00 H ATOM 7 N ILE A 2 4.528 -7.161 -9.457 1.00 0.00 N ATOM 8 CA ILE A 2 3.485 -7.126 -8.387 1.00 0.00 C ATOM 9 C ILE A 2 3.957 -6.128 -7.280 1.00 0.00 C ATOM 10 O ILE A 2 5.108 -6.148 -6.829 1.00 0.00 O ATOM 11 CB ILE A 2 3.169 -8.555 -7.811 1.00 0.00 C ATOM 12 CG1 ILE A 2 2.903 -9.677 -8.865 1.00 0.00 C ATOM 13 CG2 ILE A 2 2.021 -8.557 -6.766 1.00 0.00 C ATOM 14 CD1 ILE A 2 1.729 -9.456 -9.836 1.00 0.00 C ATOM 15 H ILE A 2 5.373 -7.736 -9.376 1.00 0.00 H ATOM 16 HA ILE A 2 2.535 -6.761 -8.830 1.00 0.00 H ATOM 17 HB ILE A 2 4.070 -8.862 -7.253 1.00 0.00 H ATOM 18 HG12 ILE A 2 3.820 -9.834 -9.464 1.00 0.00 H ATOM 19 HG13 ILE A 2 2.756 -10.643 -8.347 1.00 0.00 H ATOM 20 HG21 ILE A 2 2.256 -7.923 -5.891 1.00 0.00 H ATOM 21 HG22 ILE A 2 1.070 -8.184 -7.190 1.00 0.00 H ATOM 22 HG23 ILE A 2 1.827 -9.570 -6.366 1.00 0.00 H ATOM 23 HD11 ILE A 2 0.764 -9.364 -9.305 1.00 0.00 H ATOM 24 HD12 ILE A 2 1.863 -8.542 -10.444 1.00 0.00 H ATOM 25 HD13 ILE A 2 1.632 -10.302 -10.541 1.00 0.00 H ATOM 26 N TRP A 3 3.020 -5.277 -6.836 1.00 0.00 N ATOM 27 CA TRP A 3 3.271 -4.255 -5.781 1.00 0.00 C ATOM 28 C TRP A 3 3.169 -4.824 -4.331 1.00 0.00 C ATOM 29 O TRP A 3 2.506 -5.830 -4.058 1.00 0.00 O ATOM 30 CB TRP A 3 2.374 -2.999 -6.000 1.00 0.00 C ATOM 31 CG TRP A 3 0.850 -3.192 -5.940 1.00 0.00 C ATOM 32 CD1 TRP A 3 0.057 -3.524 -7.048 1.00 0.00 C ATOM 33 CD2 TRP A 3 -0.014 -3.148 -4.862 1.00 0.00 C ATOM 34 NE1 TRP A 3 -1.295 -3.698 -6.698 1.00 0.00 N ATOM 35 CE2 TRP A 3 -1.314 -3.469 -5.332 1.00 0.00 C ATOM 36 CE3 TRP A 3 0.212 -2.907 -3.486 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -2.394 -3.563 -4.421 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -0.864 -3.019 -2.606 1.00 0.00 C ATOM 39 CH2 TRP A 3 -2.148 -3.338 -3.065 1.00 0.00 C ATOM 40 H TRP A 3 2.081 -5.501 -7.179 1.00 0.00 H ATOM 41 HA TRP A 3 4.309 -3.889 -5.923 1.00 0.00 H ATOM 42 HB2 TRP A 3 2.654 -2.220 -5.268 1.00 0.00 H ATOM 43 HB3 TRP A 3 2.635 -2.541 -6.973 1.00 0.00 H ATOM 44 HD1 TRP A 3 0.475 -3.674 -8.029 1.00 0.00 H ATOM 45 HE1 TRP A 3 -2.075 -3.978 -7.303 1.00 0.00 H ATOM 46 HE3 TRP A 3 1.194 -2.652 -3.122 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -3.387 -3.817 -4.763 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -0.707 -2.845 -1.553 1.00 0.00 H ATOM 49 HH2 TRP A 3 -2.963 -3.408 -2.359 1.00 0.00 H ATOM 50 N GLY A 4 3.841 -4.116 -3.413 1.00 0.00 N ATOM 51 CA GLY A 4 3.880 -4.470 -1.974 1.00 0.00 C ATOM 52 C GLY A 4 3.012 -3.537 -1.105 1.00 0.00 C ATOM 53 O GLY A 4 3.051 -2.312 -1.264 1.00 0.00 O ATOM 54 H GLY A 4 4.175 -3.221 -3.786 1.00 0.00 H ATOM 55 HA2 GLY A 4 3.626 -5.537 -1.813 1.00 0.00 H ATOM 56 HA3 GLY A 4 4.925 -4.378 -1.626 1.00 0.00 H HETATM 57 N SET A 5 2.254 -4.125 -0.161 1.00 0.00 N HETATM 58 CA SET A 5 1.363 -3.358 0.755 1.00 0.00 C HETATM 59 CB SET A 5 2.203 -2.724 1.908 1.00 0.00 C HETATM 60 OG SET A 5 2.631 -3.425 2.830 1.00 0.00 O HETATM 61 NT SET A 5 -0.898 -3.530 1.848 1.00 0.00 N HETATM 62 C SET A 5 0.227 -4.296 1.257 1.00 0.00 C HETATM 63 H SET A 5 2.322 -5.148 -0.126 1.00 0.00 H HETATM 64 HA SET A 5 0.880 -2.555 0.160 1.00 0.00 H HETATM 65 HB2 SET A 5 -0.132 -4.944 0.432 1.00 0.00 H HETATM 66 HB3 SET A 5 0.614 -5.006 2.013 1.00 0.00 H HETATM 67 HNT2 SET A 5 -0.761 -2.904 2.649 1.00 0.00 H ATOM 68 N SER A 6 2.450 -1.401 1.825 1.00 0.00 N ATOM 69 CA SER A 6 3.255 -0.658 2.827 1.00 0.00 C ATOM 70 C SER A 6 3.019 0.863 2.620 1.00 0.00 C ATOM 71 O SER A 6 3.090 1.383 1.499 1.00 0.00 O ATOM 72 CB SER A 6 4.766 -0.986 2.709 1.00 0.00 C ATOM 73 OG SER A 6 5.507 -0.367 3.757 1.00 0.00 O ATOM 74 H SER A 6 1.896 -0.889 1.129 1.00 0.00 H ATOM 75 HA SER A 6 2.917 -0.964 3.839 1.00 0.00 H ATOM 76 HB2 SER A 6 4.933 -2.077 2.764 1.00 0.00 H ATOM 77 HB3 SER A 6 5.167 -0.663 1.730 1.00 0.00 H ATOM 78 HG SER A 6 6.425 -0.615 3.623 1.00 0.00 H ATOM 79 N GLY A 7 2.767 1.570 3.728 1.00 0.00 N ATOM 80 CA GLY A 7 2.527 3.026 3.696 1.00 0.00 C ATOM 81 C GLY A 7 2.191 3.550 5.095 1.00 0.00 C ATOM 82 O GLY A 7 3.095 3.909 5.856 1.00 0.00 O ATOM 83 H GLY A 7 2.816 1.030 4.599 1.00 0.00 H ATOM 84 HA2 GLY A 7 3.430 3.547 3.322 1.00 0.00 H ATOM 85 HA3 GLY A 7 1.722 3.272 2.976 1.00 0.00 H ATOM 86 N LYS A 8 0.886 3.609 5.411 1.00 0.00 N ATOM 87 CA LYS A 8 0.402 4.090 6.736 1.00 0.00 C ATOM 88 C LYS A 8 -1.009 3.489 7.004 1.00 0.00 C ATOM 89 O LYS A 8 -1.094 2.406 7.589 1.00 0.00 O ATOM 90 CB LYS A 8 0.547 5.642 6.882 1.00 0.00 C ATOM 91 CG LYS A 8 0.268 6.238 8.285 1.00 0.00 C ATOM 92 CD LYS A 8 1.171 5.759 9.445 1.00 0.00 C ATOM 93 CE LYS A 8 2.666 6.101 9.284 1.00 0.00 C ATOM 94 NZ LYS A 8 3.443 5.654 10.458 1.00 0.00 N ATOM 95 H LYS A 8 0.284 3.127 4.728 1.00 0.00 H ATOM 96 HA LYS A 8 1.061 3.638 7.504 1.00 0.00 H ATOM 97 HB2 LYS A 8 1.563 5.953 6.576 1.00 0.00 H ATOM 98 HB3 LYS A 8 -0.114 6.142 6.149 1.00 0.00 H ATOM 99 HG2 LYS A 8 0.328 7.341 8.218 1.00 0.00 H ATOM 100 HG3 LYS A 8 -0.786 6.038 8.556 1.00 0.00 H ATOM 101 HD2 LYS A 8 0.790 6.214 10.380 1.00 0.00 H ATOM 102 HD3 LYS A 8 1.040 4.669 9.587 1.00 0.00 H ATOM 103 HE2 LYS A 8 3.076 5.624 8.372 1.00 0.00 H ATOM 104 HE3 LYS A 8 2.798 7.192 9.143 1.00 0.00 H ATOM 105 HZ1 LYS A 8 3.370 4.640 10.600 1.00 0.00 H ATOM 106 HZ2 LYS A 8 4.442 5.873 10.368 1.00 0.00 H ATOM 107 HZ3 LYS A 8 3.116 6.099 11.325 1.00 0.00 H ATOM 108 N LEU A 9 -2.098 4.169 6.586 1.00 0.00 N ATOM 109 CA LEU A 9 -3.494 3.685 6.787 1.00 0.00 C ATOM 110 C LEU A 9 -4.030 2.787 5.621 1.00 0.00 C ATOM 111 O LEU A 9 -4.734 1.819 5.922 1.00 0.00 O ATOM 112 CB LEU A 9 -4.399 4.907 7.147 1.00 0.00 C ATOM 113 CG LEU A 9 -5.896 4.625 7.469 1.00 0.00 C ATOM 114 CD1 LEU A 9 -6.091 3.763 8.733 1.00 0.00 C ATOM 115 CD2 LEU A 9 -6.676 5.945 7.616 1.00 0.00 C ATOM 116 H LEU A 9 -1.895 5.060 6.121 1.00 0.00 H ATOM 117 HA LEU A 9 -3.504 3.042 7.689 1.00 0.00 H ATOM 118 HB2 LEU A 9 -3.965 5.440 8.020 1.00 0.00 H ATOM 119 HB3 LEU A 9 -4.353 5.648 6.327 1.00 0.00 H ATOM 120 HG LEU A 9 -6.343 4.081 6.615 1.00 0.00 H ATOM 121 HD11 LEU A 9 -5.627 2.765 8.625 1.00 0.00 H ATOM 122 HD12 LEU A 9 -5.651 4.235 9.632 1.00 0.00 H ATOM 123 HD13 LEU A 9 -7.162 3.586 8.946 1.00 0.00 H ATOM 124 HD21 LEU A 9 -6.302 6.561 8.456 1.00 0.00 H ATOM 125 HD22 LEU A 9 -6.609 6.563 6.701 1.00 0.00 H ATOM 126 HD23 LEU A 9 -7.753 5.766 7.796 1.00 0.00 H ATOM 127 N ILE A 10 -3.740 3.081 4.330 1.00 0.00 N ATOM 128 CA ILE A 10 -4.221 2.264 3.176 1.00 0.00 C ATOM 129 C ILE A 10 -3.059 1.385 2.616 1.00 0.00 C ATOM 130 O ILE A 10 -1.895 1.801 2.564 1.00 0.00 O ATOM 131 CB ILE A 10 -4.904 3.129 2.055 1.00 0.00 C ATOM 132 CG1 ILE A 10 -3.993 4.207 1.389 1.00 0.00 C ATOM 133 CG2 ILE A 10 -6.243 3.739 2.542 1.00 0.00 C ATOM 134 CD1 ILE A 10 -4.462 4.675 0.003 1.00 0.00 C ATOM 135 H ILE A 10 -3.001 3.776 4.182 1.00 0.00 H ATOM 136 HA ILE A 10 -5.011 1.571 3.534 1.00 0.00 H ATOM 137 HB ILE A 10 -5.183 2.415 1.256 1.00 0.00 H ATOM 138 HG12 ILE A 10 -3.875 5.079 2.060 1.00 0.00 H ATOM 139 HG13 ILE A 10 -2.970 3.809 1.260 1.00 0.00 H ATOM 140 HG21 ILE A 10 -6.089 4.501 3.329 1.00 0.00 H ATOM 141 HG22 ILE A 10 -6.801 4.226 1.721 1.00 0.00 H ATOM 142 HG23 ILE A 10 -6.915 2.968 2.963 1.00 0.00 H ATOM 143 HD11 ILE A 10 -3.745 5.392 -0.437 1.00 0.00 H ATOM 144 HD12 ILE A 10 -4.547 3.827 -0.702 1.00 0.00 H ATOM 145 HD13 ILE A 10 -5.446 5.177 0.044 1.00 0.00 H ATOM 146 N ASP A 11 -3.407 0.166 2.168 1.00 0.00 N ATOM 147 CA ASP A 11 -2.428 -0.790 1.580 1.00 0.00 C ATOM 148 C ASP A 11 -1.969 -0.421 0.128 1.00 0.00 C ATOM 149 O ASP A 11 -0.767 -0.497 -0.140 1.00 0.00 O ATOM 150 CB ASP A 11 -2.987 -2.237 1.725 1.00 0.00 C ATOM 151 CG ASP A 11 -2.069 -3.365 1.212 1.00 0.00 C ATOM 152 OD1 ASP A 11 -2.411 -4.026 0.229 1.00 0.00 O ATOM 153 H ASP A 11 -4.402 -0.062 2.274 1.00 0.00 H ATOM 154 HA ASP A 11 -1.515 -0.753 2.210 1.00 0.00 H ATOM 155 HB2 ASP A 11 -3.233 -2.445 2.785 1.00 0.00 H ATOM 156 HB3 ASP A 11 -3.955 -2.313 1.193 1.00 0.00 H ATOM 157 N THR A 12 -2.888 -0.040 -0.791 1.00 0.00 N ATOM 158 CA THR A 12 -2.541 0.330 -2.192 1.00 0.00 C ATOM 159 C THR A 12 -1.733 1.666 -2.258 1.00 0.00 C ATOM 160 O THR A 12 -2.254 2.750 -1.975 1.00 0.00 O ATOM 161 CB THR A 12 -3.799 0.265 -3.109 1.00 0.00 C ATOM 162 OG1 THR A 12 -3.399 0.404 -4.469 1.00 0.00 O ATOM 163 CG2 THR A 12 -4.925 1.283 -2.841 1.00 0.00 C ATOM 164 H THR A 12 -3.854 -0.009 -0.450 1.00 0.00 H ATOM 165 HA THR A 12 -1.895 -0.483 -2.575 1.00 0.00 H ATOM 166 HB THR A 12 -4.242 -0.744 -3.007 1.00 0.00 H ATOM 167 HG1 THR A 12 -2.784 -0.312 -4.647 1.00 0.00 H ATOM 168 HG21 THR A 12 -5.791 1.102 -3.504 1.00 0.00 H ATOM 169 HG22 THR A 12 -5.293 1.227 -1.801 1.00 0.00 H ATOM 170 HG23 THR A 12 -4.594 2.323 -3.020 1.00 0.00 H ATOM 171 N THR A 13 -0.442 1.540 -2.607 1.00 0.00 N ATOM 172 CA THR A 13 0.506 2.688 -2.709 1.00 0.00 C ATOM 173 C THR A 13 1.256 2.615 -4.073 1.00 0.00 C ATOM 174 O THR A 13 0.946 3.409 -4.966 1.00 0.00 O ATOM 175 CB THR A 13 1.432 2.819 -1.455 1.00 0.00 C ATOM 176 OG1 THR A 13 2.134 1.605 -1.195 1.00 0.00 O ATOM 177 CG2 THR A 13 0.700 3.231 -0.165 1.00 0.00 C ATOM 178 H THR A 13 -0.144 0.570 -2.751 1.00 0.00 H ATOM 179 HA THR A 13 -0.070 3.634 -2.758 1.00 0.00 H ATOM 180 HB THR A 13 2.181 3.608 -1.662 1.00 0.00 H ATOM 181 HG1 THR A 13 2.524 1.702 -0.320 1.00 0.00 H ATOM 182 HG21 THR A 13 0.123 4.163 -0.302 1.00 0.00 H ATOM 183 HG22 THR A 13 -0.007 2.451 0.175 1.00 0.00 H ATOM 184 HG23 THR A 13 1.413 3.408 0.659 1.00 0.00 H ATOM 185 N ALA A 14 2.214 1.678 -4.254 1.00 0.00 N ATOM 186 CA ALA A 14 2.974 1.529 -5.521 1.00 0.00 C ATOM 187 C ALA A 14 2.157 0.850 -6.650 1.00 0.00 C ATOM 188 O ALA A 14 1.265 0.021 -6.466 1.00 0.00 O ATOM 189 CB ALA A 14 4.254 0.730 -5.218 1.00 0.00 C ATOM 190 OXT ALA A 14 2.543 1.283 -7.891 1.00 0.00 O ATOM 191 H ALA A 14 2.464 1.146 -3.413 1.00 0.00 H ATOM 192 HA ALA A 14 3.285 2.533 -5.872 1.00 0.00 H ATOM 193 HB1 ALA A 14 4.038 -0.288 -4.842 1.00 0.00 H ATOM 194 HB2 ALA A 14 4.885 0.617 -6.120 1.00 0.00 H ATOM 195 HB3 ALA A 14 4.881 1.233 -4.458 1.00 0.00 H ATOM 196 HXT ALA A 14 2.026 0.862 -8.582 1.00 0.00 H TER 197 ALA A 14