HETATM 1 C ACE A 1 2.642 4.106 1.912 1.00 0.00 C HETATM 2 O ACE A 1 1.495 3.839 2.271 1.00 0.00 O HETATM 3 CH3 ACE A 1 3.587 2.999 1.460 1.00 0.00 C HETATM 4 H1 ACE A 1 3.080 2.016 1.463 1.00 0.00 H HETATM 5 H2 ACE A 1 3.954 3.174 0.431 1.00 0.00 H HETATM 6 H3 ACE A 1 4.465 2.916 2.127 1.00 0.00 H ATOM 7 N ILE A 2 3.154 5.345 1.887 1.00 0.00 N ATOM 8 CA ILE A 2 2.381 6.562 2.289 1.00 0.00 C ATOM 9 C ILE A 2 1.809 7.291 1.032 1.00 0.00 C ATOM 10 O ILE A 2 0.587 7.304 0.853 1.00 0.00 O ATOM 11 CB ILE A 2 3.130 7.474 3.332 1.00 0.00 C ATOM 12 CG1 ILE A 2 4.586 7.896 2.956 1.00 0.00 C ATOM 13 CG2 ILE A 2 3.094 6.835 4.745 1.00 0.00 C ATOM 14 CD1 ILE A 2 5.153 9.088 3.745 1.00 0.00 C ATOM 15 H ILE A 2 4.113 5.402 1.530 1.00 0.00 H ATOM 16 HA ILE A 2 1.466 6.232 2.822 1.00 0.00 H ATOM 17 HB ILE A 2 2.533 8.404 3.409 1.00 0.00 H ATOM 18 HG12 ILE A 2 5.270 7.032 3.059 1.00 0.00 H ATOM 19 HG13 ILE A 2 4.641 8.168 1.889 1.00 0.00 H ATOM 20 HG21 ILE A 2 3.681 5.899 4.791 1.00 0.00 H ATOM 21 HG22 ILE A 2 3.495 7.512 5.521 1.00 0.00 H ATOM 22 HG23 ILE A 2 2.062 6.587 5.057 1.00 0.00 H ATOM 23 HD11 ILE A 2 5.248 8.868 4.823 1.00 0.00 H ATOM 24 HD12 ILE A 2 6.162 9.360 3.382 1.00 0.00 H ATOM 25 HD13 ILE A 2 4.516 9.986 3.642 1.00 0.00 H ATOM 26 N TRP A 3 2.660 7.874 0.162 1.00 0.00 N ATOM 27 CA TRP A 3 2.212 8.578 -1.074 1.00 0.00 C ATOM 28 C TRP A 3 1.770 7.591 -2.204 1.00 0.00 C ATOM 29 O TRP A 3 0.643 7.709 -2.692 1.00 0.00 O ATOM 30 CB TRP A 3 3.312 9.594 -1.499 1.00 0.00 C ATOM 31 CG TRP A 3 2.914 10.555 -2.633 1.00 0.00 C ATOM 32 CD1 TRP A 3 1.842 11.473 -2.591 1.00 0.00 C ATOM 33 CD2 TRP A 3 3.486 10.712 -3.886 1.00 0.00 C ATOM 34 NE1 TRP A 3 1.721 12.196 -3.791 1.00 0.00 N ATOM 35 CE2 TRP A 3 2.750 11.708 -4.580 1.00 0.00 C ATOM 36 CE3 TRP A 3 4.596 10.080 -4.506 1.00 0.00 C ATOM 37 CZ2 TRP A 3 3.114 12.071 -5.899 1.00 0.00 C ATOM 38 CZ3 TRP A 3 4.934 10.455 -5.807 1.00 0.00 C ATOM 39 CH2 TRP A 3 4.205 11.434 -6.493 1.00 0.00 C ATOM 40 H TRP A 3 3.647 7.827 0.435 1.00 0.00 H ATOM 41 HA TRP A 3 1.319 9.179 -0.807 1.00 0.00 H ATOM 42 HB2 TRP A 3 3.600 10.216 -0.630 1.00 0.00 H ATOM 43 HB3 TRP A 3 4.238 9.053 -1.772 1.00 0.00 H ATOM 44 HD1 TRP A 3 1.179 11.589 -1.746 1.00 0.00 H ATOM 45 HE1 TRP A 3 1.028 12.913 -4.032 1.00 0.00 H ATOM 46 HE3 TRP A 3 5.179 9.332 -3.991 1.00 0.00 H ATOM 47 HZ2 TRP A 3 2.560 12.827 -6.438 1.00 0.00 H ATOM 48 HZ3 TRP A 3 5.777 9.984 -6.293 1.00 0.00 H ATOM 49 HH2 TRP A 3 4.493 11.704 -7.499 1.00 0.00 H ATOM 50 N GLY A 4 2.642 6.647 -2.617 1.00 0.00 N ATOM 51 CA GLY A 4 2.312 5.652 -3.663 1.00 0.00 C ATOM 52 C GLY A 4 1.877 4.318 -3.031 1.00 0.00 C ATOM 53 O GLY A 4 2.715 3.438 -2.818 1.00 0.00 O ATOM 54 H GLY A 4 3.494 6.581 -2.050 1.00 0.00 H ATOM 55 HA2 GLY A 4 1.551 6.029 -4.376 1.00 0.00 H ATOM 56 HA3 GLY A 4 3.212 5.479 -4.281 1.00 0.00 H ATOM 57 N ASP A 5 0.570 4.195 -2.735 1.00 0.00 N ATOM 58 CA ASP A 5 -0.021 2.980 -2.107 1.00 0.00 C ATOM 59 C ASP A 5 -1.028 2.254 -3.078 1.00 0.00 C ATOM 60 O ASP A 5 -1.506 2.850 -4.051 1.00 0.00 O ATOM 61 CB ASP A 5 -0.689 3.452 -0.776 1.00 0.00 C ATOM 62 CG ASP A 5 -1.180 2.326 0.154 1.00 0.00 C ATOM 63 OD1 ASP A 5 -2.382 2.058 0.231 1.00 0.00 O ATOM 64 H ASP A 5 0.002 5.018 -2.962 1.00 0.00 H ATOM 65 HA ASP A 5 0.815 2.299 -1.841 1.00 0.00 H ATOM 66 HB2 ASP A 5 0.009 4.093 -0.198 1.00 0.00 H ATOM 67 HB3 ASP A 5 -1.546 4.116 -1.002 1.00 0.00 H ATOM 68 N SER A 6 -1.377 0.969 -2.814 1.00 0.00 N ATOM 69 CA SER A 6 -2.335 0.197 -3.656 1.00 0.00 C ATOM 70 C SER A 6 -3.829 0.576 -3.388 1.00 0.00 C ATOM 71 O SER A 6 -4.498 1.040 -4.316 1.00 0.00 O ATOM 72 CB SER A 6 -2.032 -1.311 -3.483 1.00 0.00 C ATOM 73 OG SER A 6 -2.835 -2.098 -4.357 1.00 0.00 O ATOM 74 H SER A 6 -1.044 0.551 -1.938 1.00 0.00 H ATOM 75 HA SER A 6 -2.125 0.429 -4.719 1.00 0.00 H ATOM 76 HB2 SER A 6 -0.966 -1.525 -3.693 1.00 0.00 H ATOM 77 HB3 SER A 6 -2.205 -1.638 -2.440 1.00 0.00 H ATOM 78 HG SER A 6 -2.620 -1.817 -5.251 1.00 0.00 H ATOM 79 N GLY A 7 -4.345 0.379 -2.156 1.00 0.00 N ATOM 80 CA GLY A 7 -5.747 0.710 -1.798 1.00 0.00 C ATOM 81 C GLY A 7 -6.710 -0.495 -1.777 1.00 0.00 C ATOM 82 O GLY A 7 -7.644 -0.551 -2.581 1.00 0.00 O ATOM 83 H GLY A 7 -3.698 -0.032 -1.475 1.00 0.00 H ATOM 84 HA2 GLY A 7 -5.747 1.184 -0.798 1.00 0.00 H ATOM 85 HA3 GLY A 7 -6.158 1.493 -2.465 1.00 0.00 H ATOM 86 N LYS A 8 -6.481 -1.441 -0.848 1.00 0.00 N ATOM 87 CA LYS A 8 -7.317 -2.664 -0.682 1.00 0.00 C ATOM 88 C LYS A 8 -7.047 -3.234 0.746 1.00 0.00 C ATOM 89 O LYS A 8 -7.911 -3.127 1.620 1.00 0.00 O ATOM 90 CB LYS A 8 -7.120 -3.681 -1.853 1.00 0.00 C ATOM 91 CG LYS A 8 -8.081 -4.890 -1.826 1.00 0.00 C ATOM 92 CD LYS A 8 -7.866 -5.849 -3.014 1.00 0.00 C ATOM 93 CE LYS A 8 -8.827 -7.051 -2.981 1.00 0.00 C ATOM 94 NZ LYS A 8 -8.594 -7.947 -4.134 1.00 0.00 N ATOM 95 H LYS A 8 -5.674 -1.252 -0.243 1.00 0.00 H ATOM 96 HA LYS A 8 -8.379 -2.348 -0.700 1.00 0.00 H ATOM 97 HB2 LYS A 8 -7.258 -3.155 -2.817 1.00 0.00 H ATOM 98 HB3 LYS A 8 -6.072 -4.035 -1.871 1.00 0.00 H ATOM 99 HG2 LYS A 8 -7.954 -5.445 -0.876 1.00 0.00 H ATOM 100 HG3 LYS A 8 -9.127 -4.527 -1.823 1.00 0.00 H ATOM 101 HD2 LYS A 8 -7.993 -5.290 -3.962 1.00 0.00 H ATOM 102 HD3 LYS A 8 -6.817 -6.204 -3.011 1.00 0.00 H ATOM 103 HE2 LYS A 8 -8.701 -7.620 -2.039 1.00 0.00 H ATOM 104 HE3 LYS A 8 -9.879 -6.704 -2.990 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -7.637 -8.316 -4.143 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -9.227 -8.755 -4.130 1.00 0.00 H ATOM 107 HZ3 LYS A 8 -8.733 -7.462 -5.028 1.00 0.00 H ATOM 108 N LEU A 9 -5.864 -3.844 0.968 1.00 0.00 N ATOM 109 CA LEU A 9 -5.449 -4.419 2.276 1.00 0.00 C ATOM 110 C LEU A 9 -3.948 -4.047 2.469 1.00 0.00 C ATOM 111 O LEU A 9 -3.644 -3.170 3.283 1.00 0.00 O ATOM 112 CB LEU A 9 -5.811 -5.934 2.350 1.00 0.00 C ATOM 113 CG LEU A 9 -5.491 -6.666 3.684 1.00 0.00 C ATOM 114 CD1 LEU A 9 -6.330 -6.152 4.871 1.00 0.00 C ATOM 115 CD2 LEU A 9 -5.690 -8.186 3.527 1.00 0.00 C ATOM 116 H LEU A 9 -5.237 -3.851 0.156 1.00 0.00 H ATOM 117 HA LEU A 9 -6.004 -3.905 3.086 1.00 0.00 H ATOM 118 HB2 LEU A 9 -6.890 -6.059 2.130 1.00 0.00 H ATOM 119 HB3 LEU A 9 -5.297 -6.458 1.520 1.00 0.00 H ATOM 120 HG LEU A 9 -4.424 -6.502 3.927 1.00 0.00 H ATOM 121 HD11 LEU A 9 -6.095 -6.696 5.805 1.00 0.00 H ATOM 122 HD12 LEU A 9 -6.139 -5.083 5.078 1.00 0.00 H ATOM 123 HD13 LEU A 9 -7.417 -6.263 4.692 1.00 0.00 H ATOM 124 HD21 LEU A 9 -6.737 -8.447 3.285 1.00 0.00 H ATOM 125 HD22 LEU A 9 -5.054 -8.599 2.722 1.00 0.00 H ATOM 126 HD23 LEU A 9 -5.421 -8.731 4.451 1.00 0.00 H ATOM 127 N ILE A 10 -3.022 -4.691 1.724 1.00 0.00 N ATOM 128 CA ILE A 10 -1.562 -4.397 1.785 1.00 0.00 C ATOM 129 C ILE A 10 -1.264 -3.221 0.801 1.00 0.00 C ATOM 130 O ILE A 10 -1.457 -3.347 -0.413 1.00 0.00 O ATOM 131 CB ILE A 10 -0.687 -5.686 1.555 1.00 0.00 C ATOM 132 CG1 ILE A 10 0.852 -5.458 1.659 1.00 0.00 C ATOM 133 CG2 ILE A 10 -0.970 -6.450 0.233 1.00 0.00 C ATOM 134 CD1 ILE A 10 1.376 -4.931 3.004 1.00 0.00 C ATOM 135 H ILE A 10 -3.401 -5.397 1.084 1.00 0.00 H ATOM 136 HA ILE A 10 -1.329 -4.072 2.820 1.00 0.00 H ATOM 137 HB ILE A 10 -0.952 -6.391 2.368 1.00 0.00 H ATOM 138 HG12 ILE A 10 1.379 -6.411 1.459 1.00 0.00 H ATOM 139 HG13 ILE A 10 1.189 -4.776 0.855 1.00 0.00 H ATOM 140 HG21 ILE A 10 -0.699 -5.855 -0.660 1.00 0.00 H ATOM 141 HG22 ILE A 10 -0.402 -7.397 0.175 1.00 0.00 H ATOM 142 HG23 ILE A 10 -2.036 -6.723 0.131 1.00 0.00 H ATOM 143 HD11 ILE A 10 2.481 -4.894 3.004 1.00 0.00 H ATOM 144 HD12 ILE A 10 1.022 -3.907 3.217 1.00 0.00 H ATOM 145 HD13 ILE A 10 1.075 -5.579 3.847 1.00 0.00 H HETATM 146 N SET A 11 -0.791 -2.082 1.344 1.00 0.00 N HETATM 147 CA SET A 11 -0.454 -0.877 0.541 1.00 0.00 C HETATM 148 CB SET A 11 0.861 -1.109 -0.272 1.00 0.00 C HETATM 149 OG SET A 11 0.784 -1.578 -1.412 1.00 0.00 O HETATM 150 NT SET A 11 -0.224 1.646 0.797 1.00 0.00 N HETATM 151 C SET A 11 -0.497 0.357 1.496 1.00 0.00 C HETATM 152 H SET A 11 -0.823 -2.050 2.368 1.00 0.00 H HETATM 153 HA SET A 11 -1.264 -0.720 -0.199 1.00 0.00 H HETATM 154 HB2 SET A 11 -1.475 0.385 2.025 1.00 0.00 H HETATM 155 HB3 SET A 11 0.237 0.215 2.316 1.00 0.00 H HETATM 156 HNT2 SET A 11 0.720 2.020 0.604 1.00 0.00 H ATOM 157 N THR A 12 2.037 -0.780 0.294 1.00 0.00 N ATOM 158 CA THR A 12 3.353 -0.975 -0.376 1.00 0.00 C ATOM 159 C THR A 12 4.393 -1.176 0.769 1.00 0.00 C ATOM 160 O THR A 12 5.124 -0.248 1.133 1.00 0.00 O ATOM 161 CB THR A 12 3.703 0.182 -1.372 1.00 0.00 C ATOM 162 OG1 THR A 12 2.664 0.370 -2.329 1.00 0.00 O ATOM 163 CG2 THR A 12 4.994 -0.052 -2.175 1.00 0.00 C ATOM 164 H THR A 12 1.959 -0.437 1.259 1.00 0.00 H ATOM 165 HA THR A 12 3.318 -1.913 -0.968 1.00 0.00 H ATOM 166 HB THR A 12 3.813 1.128 -0.810 1.00 0.00 H ATOM 167 HG1 THR A 12 2.512 -0.489 -2.731 1.00 0.00 H ATOM 168 HG21 THR A 12 5.880 -0.133 -1.519 1.00 0.00 H ATOM 169 HG22 THR A 12 4.942 -0.977 -2.779 1.00 0.00 H ATOM 170 HG23 THR A 12 5.187 0.785 -2.872 1.00 0.00 H ATOM 171 N THR A 13 4.437 -2.396 1.343 1.00 0.00 N ATOM 172 CA THR A 13 5.374 -2.746 2.447 1.00 0.00 C ATOM 173 C THR A 13 5.828 -4.212 2.185 1.00 0.00 C ATOM 174 O THR A 13 5.109 -5.165 2.505 1.00 0.00 O ATOM 175 CB THR A 13 4.718 -2.530 3.849 1.00 0.00 C ATOM 176 OG1 THR A 13 4.285 -1.180 3.993 1.00 0.00 O ATOM 177 CG2 THR A 13 5.657 -2.815 5.035 1.00 0.00 C ATOM 178 H THR A 13 3.710 -3.046 1.024 1.00 0.00 H ATOM 179 HA THR A 13 6.263 -2.083 2.406 1.00 0.00 H ATOM 180 HB THR A 13 3.832 -3.185 3.946 1.00 0.00 H ATOM 181 HG1 THR A 13 3.963 -1.099 4.894 1.00 0.00 H ATOM 182 HG21 THR A 13 5.153 -2.635 6.002 1.00 0.00 H ATOM 183 HG22 THR A 13 6.001 -3.866 5.045 1.00 0.00 H ATOM 184 HG23 THR A 13 6.558 -2.173 5.009 1.00 0.00 H ATOM 185 N ALA A 14 7.024 -4.373 1.587 1.00 0.00 N ATOM 186 CA ALA A 14 7.598 -5.705 1.269 1.00 0.00 C ATOM 187 C ALA A 14 9.132 -5.666 1.439 1.00 0.00 C ATOM 188 O ALA A 14 9.721 -6.282 2.326 1.00 0.00 O ATOM 189 CB ALA A 14 7.164 -6.167 -0.138 1.00 0.00 C ATOM 190 OXT ALA A 14 9.762 -4.877 0.505 1.00 0.00 O ATOM 191 H ALA A 14 7.495 -3.496 1.342 1.00 0.00 H ATOM 192 HA ALA A 14 7.225 -6.457 1.992 1.00 0.00 H ATOM 193 HB1 ALA A 14 7.488 -5.469 -0.933 1.00 0.00 H ATOM 194 HB2 ALA A 14 7.580 -7.162 -0.384 1.00 0.00 H ATOM 195 HB3 ALA A 14 6.064 -6.256 -0.212 1.00 0.00 H ATOM 196 HXT ALA A 14 9.139 -4.486 -0.110 1.00 0.00 H TER 197 ALA A 14