HETATM 1 C ACE A 1 -3.999 7.021 3.048 1.00 0.00 C HETATM 2 O ACE A 1 -4.468 7.262 1.934 1.00 0.00 O HETATM 3 CH3 ACE A 1 -4.325 7.923 4.235 1.00 0.00 C HETATM 4 H1 ACE A 1 -4.972 8.765 3.928 1.00 0.00 H HETATM 5 H2 ACE A 1 -4.861 7.369 5.028 1.00 0.00 H HETATM 6 H3 ACE A 1 -3.410 8.358 4.678 1.00 0.00 H ATOM 7 N ILE A 2 -3.192 5.986 3.319 1.00 0.00 N ATOM 8 CA ILE A 2 -2.766 4.992 2.292 1.00 0.00 C ATOM 9 C ILE A 2 -3.444 3.650 2.707 1.00 0.00 C ATOM 10 O ILE A 2 -2.966 2.917 3.580 1.00 0.00 O ATOM 11 CB ILE A 2 -1.211 4.874 2.163 1.00 0.00 C ATOM 12 CG1 ILE A 2 -0.417 6.207 2.005 1.00 0.00 C ATOM 13 CG2 ILE A 2 -0.783 3.878 1.054 1.00 0.00 C ATOM 14 CD1 ILE A 2 -0.736 7.065 0.766 1.00 0.00 C ATOM 15 H ILE A 2 -2.960 5.874 4.311 1.00 0.00 H ATOM 16 HA ILE A 2 -3.125 5.298 1.286 1.00 0.00 H ATOM 17 HB ILE A 2 -0.889 4.432 3.120 1.00 0.00 H ATOM 18 HG12 ILE A 2 -0.572 6.829 2.905 1.00 0.00 H ATOM 19 HG13 ILE A 2 0.668 5.990 2.012 1.00 0.00 H ATOM 20 HG21 ILE A 2 0.316 3.766 1.001 1.00 0.00 H ATOM 21 HG22 ILE A 2 -1.193 2.864 1.218 1.00 0.00 H ATOM 22 HG23 ILE A 2 -1.127 4.199 0.056 1.00 0.00 H ATOM 23 HD11 ILE A 2 -0.514 6.529 -0.175 1.00 0.00 H ATOM 24 HD12 ILE A 2 -1.800 7.365 0.736 1.00 0.00 H ATOM 25 HD13 ILE A 2 -0.136 7.992 0.761 1.00 0.00 H ATOM 26 N TRP A 3 -4.561 3.355 2.038 1.00 0.00 N ATOM 27 CA TRP A 3 -5.381 2.145 2.280 1.00 0.00 C ATOM 28 C TRP A 3 -4.929 1.022 1.305 1.00 0.00 C ATOM 29 O TRP A 3 -5.168 1.100 0.094 1.00 0.00 O ATOM 30 CB TRP A 3 -6.891 2.494 2.151 1.00 0.00 C ATOM 31 CG TRP A 3 -7.479 3.305 3.323 1.00 0.00 C ATOM 32 CD1 TRP A 3 -7.150 4.638 3.668 1.00 0.00 C ATOM 33 CD2 TRP A 3 -8.406 2.902 4.271 1.00 0.00 C ATOM 34 NE1 TRP A 3 -7.850 5.075 4.805 1.00 0.00 N ATOM 35 CE2 TRP A 3 -8.623 3.985 5.163 1.00 0.00 C ATOM 36 CE3 TRP A 3 -9.090 1.671 4.460 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -9.524 3.844 6.246 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -9.974 1.559 5.533 1.00 0.00 C ATOM 39 CH2 TRP A 3 -10.188 2.628 6.413 1.00 0.00 C ATOM 40 H TRP A 3 -4.887 4.132 1.469 1.00 0.00 H ATOM 41 HA TRP A 3 -5.224 1.825 3.323 1.00 0.00 H ATOM 42 HB2 TRP A 3 -7.087 3.027 1.200 1.00 0.00 H ATOM 43 HB3 TRP A 3 -7.467 1.554 2.052 1.00 0.00 H ATOM 44 HD1 TRP A 3 -6.408 5.234 3.153 1.00 0.00 H ATOM 45 HE1 TRP A 3 -7.788 5.987 5.274 1.00 0.00 H ATOM 46 HE3 TRP A 3 -8.934 0.836 3.793 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -9.695 4.660 6.932 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -10.502 0.629 5.690 1.00 0.00 H ATOM 49 HH2 TRP A 3 -10.878 2.509 7.235 1.00 0.00 H ATOM 50 N GLY A 4 -4.274 -0.015 1.858 1.00 0.00 N ATOM 51 CA GLY A 4 -3.749 -1.152 1.065 1.00 0.00 C ATOM 52 C GLY A 4 -2.249 -0.936 0.794 1.00 0.00 C ATOM 53 O GLY A 4 -1.900 -0.153 -0.093 1.00 0.00 O ATOM 54 H GLY A 4 -4.117 0.065 2.868 1.00 0.00 H ATOM 55 HA2 GLY A 4 -3.935 -2.095 1.613 1.00 0.00 H ATOM 56 HA3 GLY A 4 -4.284 -1.269 0.102 1.00 0.00 H HETATM 57 N BCX A 5 -1.382 -1.635 1.552 1.00 0.00 N HETATM 58 CC BCX A 5 0.723 -2.697 0.701 1.00 0.00 C HETATM 59 CA BCX A 5 0.088 -1.494 1.415 1.00 0.00 C HETATM 60 C BCX A 5 2.152 -2.423 0.167 1.00 0.00 C HETATM 61 O BCX A 5 2.409 -1.424 -0.507 1.00 0.00 O HETATM 62 CB BCX A 5 0.711 -1.214 2.807 1.00 0.00 C HETATM 63 SG BCX A 5 -0.229 -0.015 3.778 1.00 0.00 S HETATM 64 H BCX A 5 -1.809 -2.236 2.263 1.00 0.00 H HETATM 65 HC1 BCX A 5 0.103 -2.955 -0.181 1.00 0.00 H HETATM 66 HC2 BCX A 5 0.664 -3.590 1.353 1.00 0.00 H HETATM 67 HA BCX A 5 0.326 -0.661 0.744 1.00 0.00 H HETATM 68 HB2 BCX A 5 0.782 -2.137 3.408 1.00 0.00 H HETATM 69 HB3 BCX A 5 1.745 -0.831 2.704 1.00 0.00 H ATOM 70 N SER A 6 3.019 -3.420 0.349 1.00 0.00 N ATOM 71 CA SER A 6 4.163 -3.663 -0.579 1.00 0.00 C ATOM 72 C SER A 6 3.619 -4.411 -1.834 1.00 0.00 C ATOM 73 O SER A 6 3.588 -5.643 -1.895 1.00 0.00 O ATOM 74 CB SER A 6 5.284 -4.407 0.180 1.00 0.00 C ATOM 75 OG SER A 6 6.407 -4.626 -0.667 1.00 0.00 O ATOM 76 H SER A 6 2.539 -4.175 0.839 1.00 0.00 H ATOM 77 HA SER A 6 4.605 -2.692 -0.886 1.00 0.00 H ATOM 78 HB2 SER A 6 5.617 -3.818 1.057 1.00 0.00 H ATOM 79 HB3 SER A 6 4.934 -5.377 0.582 1.00 0.00 H ATOM 80 HG SER A 6 6.108 -5.219 -1.361 1.00 0.00 H ATOM 81 N GLY A 7 3.189 -3.611 -2.820 1.00 0.00 N ATOM 82 CA GLY A 7 2.560 -4.115 -4.065 1.00 0.00 C ATOM 83 C GLY A 7 1.434 -3.159 -4.527 1.00 0.00 C ATOM 84 O GLY A 7 1.407 -2.768 -5.697 1.00 0.00 O ATOM 85 H GLY A 7 3.191 -2.605 -2.597 1.00 0.00 H ATOM 86 HA2 GLY A 7 3.327 -4.203 -4.856 1.00 0.00 H ATOM 87 HA3 GLY A 7 2.135 -5.129 -3.936 1.00 0.00 H ATOM 88 N LYS A 8 0.500 -2.804 -3.614 1.00 0.00 N ATOM 89 CA LYS A 8 -0.611 -1.859 -3.887 1.00 0.00 C ATOM 90 C LYS A 8 -0.041 -0.404 -3.903 1.00 0.00 C ATOM 91 O LYS A 8 -0.011 0.202 -4.978 1.00 0.00 O ATOM 92 CB LYS A 8 -1.765 -2.084 -2.860 1.00 0.00 C ATOM 93 CG LYS A 8 -2.569 -3.389 -3.050 1.00 0.00 C ATOM 94 CD LYS A 8 -3.674 -3.555 -1.988 1.00 0.00 C ATOM 95 CE LYS A 8 -4.474 -4.857 -2.161 1.00 0.00 C ATOM 96 NZ LYS A 8 -5.515 -4.978 -1.124 1.00 0.00 N ATOM 97 H LYS A 8 0.728 -3.062 -2.649 1.00 0.00 H ATOM 98 HA LYS A 8 -1.023 -2.062 -4.895 1.00 0.00 H ATOM 99 HB2 LYS A 8 -1.368 -2.055 -1.826 1.00 0.00 H ATOM 100 HB3 LYS A 8 -2.476 -1.236 -2.905 1.00 0.00 H ATOM 101 HG2 LYS A 8 -3.016 -3.405 -4.061 1.00 0.00 H ATOM 102 HG3 LYS A 8 -1.885 -4.257 -3.008 1.00 0.00 H ATOM 103 HD2 LYS A 8 -3.219 -3.530 -0.979 1.00 0.00 H ATOM 104 HD3 LYS A 8 -4.359 -2.686 -2.032 1.00 0.00 H ATOM 105 HE2 LYS A 8 -4.946 -4.892 -3.160 1.00 0.00 H ATOM 106 HE3 LYS A 8 -3.802 -5.734 -2.103 1.00 0.00 H ATOM 107 HZ1 LYS A 8 -6.065 -5.833 -1.268 1.00 0.00 H ATOM 108 HZ2 LYS A 8 -6.184 -4.204 -1.202 1.00 0.00 H ATOM 109 N LEU A 9 0.437 0.140 -2.757 1.00 0.00 N ATOM 110 CA LEU A 9 1.008 1.504 -2.662 1.00 0.00 C ATOM 111 C LEU A 9 1.706 1.557 -1.275 1.00 0.00 C ATOM 112 O LEU A 9 1.031 1.461 -0.243 1.00 0.00 O ATOM 113 CB LEU A 9 -0.123 2.553 -2.808 1.00 0.00 C ATOM 114 CG LEU A 9 0.258 4.058 -2.739 1.00 0.00 C ATOM 115 CD1 LEU A 9 1.296 4.479 -3.799 1.00 0.00 C ATOM 116 CD2 LEU A 9 -1.003 4.933 -2.878 1.00 0.00 C ATOM 117 H LEU A 9 0.344 -0.406 -1.896 1.00 0.00 H ATOM 118 HA LEU A 9 1.733 1.641 -3.488 1.00 0.00 H ATOM 119 HB2 LEU A 9 -0.626 2.353 -3.773 1.00 0.00 H ATOM 120 HB3 LEU A 9 -0.880 2.317 -2.035 1.00 0.00 H ATOM 121 HG LEU A 9 0.694 4.259 -1.741 1.00 0.00 H ATOM 122 HD11 LEU A 9 1.531 5.558 -3.737 1.00 0.00 H ATOM 123 HD12 LEU A 9 2.255 3.945 -3.667 1.00 0.00 H ATOM 124 HD13 LEU A 9 0.945 4.276 -4.828 1.00 0.00 H ATOM 125 HD21 LEU A 9 -0.771 6.007 -2.750 1.00 0.00 H ATOM 126 HD22 LEU A 9 -1.482 4.816 -3.869 1.00 0.00 H ATOM 127 HD23 LEU A 9 -1.766 4.682 -2.118 1.00 0.00 H ATOM 128 N ILE A 10 3.043 1.731 -1.239 1.00 0.00 N ATOM 129 CA ILE A 10 3.831 1.769 0.035 1.00 0.00 C ATOM 130 C ILE A 10 3.328 2.831 1.075 1.00 0.00 C ATOM 131 O ILE A 10 3.050 3.987 0.742 1.00 0.00 O ATOM 132 CB ILE A 10 5.386 1.788 -0.211 1.00 0.00 C ATOM 133 CG1 ILE A 10 5.962 2.800 -1.251 1.00 0.00 C ATOM 134 CG2 ILE A 10 5.899 0.373 -0.579 1.00 0.00 C ATOM 135 CD1 ILE A 10 5.790 4.288 -0.923 1.00 0.00 C ATOM 136 H ILE A 10 3.511 1.744 -2.149 1.00 0.00 H ATOM 137 HA ILE A 10 3.622 0.782 0.500 1.00 0.00 H ATOM 138 HB ILE A 10 5.869 2.021 0.757 1.00 0.00 H ATOM 139 HG12 ILE A 10 7.049 2.624 -1.364 1.00 0.00 H ATOM 140 HG13 ILE A 10 5.540 2.603 -2.255 1.00 0.00 H ATOM 141 HG21 ILE A 10 7.003 0.337 -0.655 1.00 0.00 H ATOM 142 HG22 ILE A 10 5.618 -0.378 0.184 1.00 0.00 H ATOM 143 HG23 ILE A 10 5.493 0.020 -1.545 1.00 0.00 H ATOM 144 HD11 ILE A 10 6.154 4.525 0.092 1.00 0.00 H ATOM 145 HD12 ILE A 10 6.358 4.919 -1.631 1.00 0.00 H ATOM 146 HD13 ILE A 10 4.735 4.606 -0.993 1.00 0.00 H ATOM 147 N CYS A 11 3.184 2.384 2.337 1.00 0.00 N ATOM 148 CA CYS A 11 2.681 3.217 3.452 1.00 0.00 C ATOM 149 C CYS A 11 3.856 3.814 4.267 1.00 0.00 C ATOM 150 O CYS A 11 4.392 3.189 5.189 1.00 0.00 O ATOM 151 CB CYS A 11 1.730 2.345 4.297 1.00 0.00 C ATOM 152 SG CYS A 11 0.328 1.832 3.284 1.00 0.00 S ATOM 153 H CYS A 11 3.587 1.461 2.510 1.00 0.00 H ATOM 154 HA CYS A 11 2.041 4.029 3.055 1.00 0.00 H ATOM 155 HB2 CYS A 11 2.241 1.449 4.701 1.00 0.00 H ATOM 156 HB3 CYS A 11 1.347 2.907 5.170 1.00 0.00 H ATOM 157 N THR A 12 4.231 5.053 3.905 1.00 0.00 N ATOM 158 CA THR A 12 5.340 5.805 4.557 1.00 0.00 C ATOM 159 C THR A 12 4.932 6.272 5.990 1.00 0.00 C ATOM 160 O THR A 12 4.154 7.218 6.152 1.00 0.00 O ATOM 161 CB THR A 12 5.812 7.012 3.689 1.00 0.00 C ATOM 162 OG1 THR A 12 4.742 7.928 3.469 1.00 0.00 O ATOM 163 CG2 THR A 12 6.418 6.642 2.325 1.00 0.00 C ATOM 164 H THR A 12 3.854 5.329 2.994 1.00 0.00 H ATOM 165 HA THR A 12 6.207 5.120 4.622 1.00 0.00 H ATOM 166 HB THR A 12 6.603 7.547 4.251 1.00 0.00 H ATOM 167 HG1 THR A 12 4.285 7.993 4.314 1.00 0.00 H ATOM 168 HG21 THR A 12 5.667 6.174 1.661 1.00 0.00 H ATOM 169 HG22 THR A 12 6.801 7.536 1.800 1.00 0.00 H ATOM 170 HG23 THR A 12 7.261 5.935 2.427 1.00 0.00 H ATOM 171 N THR A 13 5.461 5.582 7.014 1.00 0.00 N ATOM 172 CA THR A 13 5.168 5.871 8.441 1.00 0.00 C ATOM 173 C THR A 13 6.494 5.674 9.228 1.00 0.00 C ATOM 174 O THR A 13 6.921 4.544 9.493 1.00 0.00 O ATOM 175 CB THR A 13 4.017 4.975 8.993 1.00 0.00 C ATOM 176 OG1 THR A 13 4.193 3.606 8.634 1.00 0.00 O ATOM 177 CG2 THR A 13 2.606 5.399 8.548 1.00 0.00 C ATOM 178 H THR A 13 6.057 4.789 6.764 1.00 0.00 H ATOM 179 HA THR A 13 4.845 6.926 8.556 1.00 0.00 H ATOM 180 HB THR A 13 4.046 5.041 10.092 1.00 0.00 H ATOM 181 HG1 THR A 13 4.187 3.592 7.672 1.00 0.00 H ATOM 182 HG21 THR A 13 1.831 4.771 9.023 1.00 0.00 H ATOM 183 HG22 THR A 13 2.389 6.448 8.823 1.00 0.00 H ATOM 184 HG23 THR A 13 2.473 5.310 7.454 1.00 0.00 H ATOM 185 N ALA A 14 7.138 6.796 9.598 1.00 0.00 N ATOM 186 CA ALA A 14 8.417 6.787 10.352 1.00 0.00 C ATOM 187 C ALA A 14 8.207 6.661 11.880 1.00 0.00 C ATOM 188 O ALA A 14 8.686 5.745 12.545 1.00 0.00 O ATOM 189 CB ALA A 14 9.219 8.049 9.984 1.00 0.00 C ATOM 190 OXT ALA A 14 7.438 7.671 12.406 1.00 0.00 O ATOM 191 H ALA A 14 6.707 7.654 9.243 1.00 0.00 H ATOM 192 HA ALA A 14 9.028 5.921 10.029 1.00 0.00 H ATOM 193 HB1 ALA A 14 8.695 8.983 10.259 1.00 0.00 H ATOM 194 HB2 ALA A 14 10.202 8.066 10.492 1.00 0.00 H ATOM 195 HB3 ALA A 14 9.427 8.099 8.897 1.00 0.00 H ATOM 196 HXT ALA A 14 7.148 8.285 11.728 1.00 0.00 H TER 197 ALA A 14