HETATM 1 C ACE A 1 3.696 12.186 0.533 1.00 0.00 C HETATM 2 O ACE A 1 3.140 12.824 -0.363 1.00 0.00 O HETATM 3 CH3 ACE A 1 3.297 12.393 1.991 1.00 0.00 C HETATM 4 H1 ACE A 1 2.910 11.461 2.443 1.00 0.00 H HETATM 5 H2 ACE A 1 4.153 12.740 2.601 1.00 0.00 H HETATM 6 H3 ACE A 1 2.502 13.155 2.081 1.00 0.00 H ATOM 7 N ILE A 2 4.665 11.284 0.327 1.00 0.00 N ATOM 8 CA ILE A 2 5.192 10.938 -1.032 1.00 0.00 C ATOM 9 C ILE A 2 4.518 9.648 -1.603 1.00 0.00 C ATOM 10 O ILE A 2 3.915 9.713 -2.679 1.00 0.00 O ATOM 11 CB ILE A 2 6.764 10.962 -1.124 1.00 0.00 C ATOM 12 CG1 ILE A 2 7.522 10.074 -0.087 1.00 0.00 C ATOM 13 CG2 ILE A 2 7.295 12.419 -1.099 1.00 0.00 C ATOM 14 CD1 ILE A 2 9.001 9.799 -0.406 1.00 0.00 C ATOM 15 H ILE A 2 4.980 10.798 1.173 1.00 0.00 H ATOM 16 HA ILE A 2 4.864 11.727 -1.739 1.00 0.00 H ATOM 17 HB ILE A 2 7.017 10.571 -2.129 1.00 0.00 H ATOM 18 HG12 ILE A 2 7.442 10.519 0.923 1.00 0.00 H ATOM 19 HG13 ILE A 2 7.029 9.091 -0.001 1.00 0.00 H ATOM 20 HG21 ILE A 2 7.122 12.906 -0.121 1.00 0.00 H ATOM 21 HG22 ILE A 2 8.379 12.472 -1.304 1.00 0.00 H ATOM 22 HG23 ILE A 2 6.805 13.048 -1.866 1.00 0.00 H ATOM 23 HD11 ILE A 2 9.608 10.722 -0.398 1.00 0.00 H ATOM 24 HD12 ILE A 2 9.446 9.114 0.339 1.00 0.00 H ATOM 25 HD13 ILE A 2 9.124 9.326 -1.398 1.00 0.00 H ATOM 26 N TRP A 3 4.602 8.498 -0.904 1.00 0.00 N ATOM 27 CA TRP A 3 3.986 7.219 -1.354 1.00 0.00 C ATOM 28 C TRP A 3 2.442 7.138 -1.122 1.00 0.00 C ATOM 29 O TRP A 3 1.714 6.812 -2.065 1.00 0.00 O ATOM 30 CB TRP A 3 4.770 6.039 -0.706 1.00 0.00 C ATOM 31 CG TRP A 3 4.351 4.636 -1.176 1.00 0.00 C ATOM 32 CD1 TRP A 3 4.432 4.162 -2.503 1.00 0.00 C ATOM 33 CD2 TRP A 3 3.766 3.609 -0.452 1.00 0.00 C ATOM 34 NE1 TRP A 3 3.911 2.863 -2.630 1.00 0.00 N ATOM 35 CE2 TRP A 3 3.502 2.541 -1.348 1.00 0.00 C ATOM 36 CE3 TRP A 3 3.418 3.494 0.921 1.00 0.00 C ATOM 37 CZ2 TRP A 3 2.892 1.357 -0.880 1.00 0.00 C ATOM 38 CZ3 TRP A 3 2.815 2.314 1.358 1.00 0.00 C ATOM 39 CH2 TRP A 3 2.560 1.263 0.472 1.00 0.00 C ATOM 40 H TRP A 3 5.179 8.557 -0.058 1.00 0.00 H ATOM 41 HA TRP A 3 4.149 7.135 -2.448 1.00 0.00 H ATOM 42 HB2 TRP A 3 5.852 6.151 -0.915 1.00 0.00 H ATOM 43 HB3 TRP A 3 4.694 6.099 0.397 1.00 0.00 H ATOM 44 HD1 TRP A 3 4.806 4.749 -3.329 1.00 0.00 H ATOM 45 HE1 TRP A 3 3.819 2.298 -3.482 1.00 0.00 H ATOM 46 HE3 TRP A 3 3.623 4.285 1.626 1.00 0.00 H ATOM 47 HZ2 TRP A 3 2.684 0.540 -1.554 1.00 0.00 H ATOM 48 HZ3 TRP A 3 2.545 2.208 2.399 1.00 0.00 H ATOM 49 HH2 TRP A 3 2.099 0.361 0.838 1.00 0.00 H ATOM 50 N GLY A 4 1.955 7.387 0.111 1.00 0.00 N ATOM 51 CA GLY A 4 0.511 7.318 0.429 1.00 0.00 C ATOM 52 C GLY A 4 0.064 5.908 0.862 1.00 0.00 C ATOM 53 O GLY A 4 0.145 5.569 2.046 1.00 0.00 O ATOM 54 H GLY A 4 2.640 7.794 0.757 1.00 0.00 H ATOM 55 HA2 GLY A 4 0.306 8.019 1.258 1.00 0.00 H ATOM 56 HA3 GLY A 4 -0.105 7.698 -0.411 1.00 0.00 H ATOM 57 N ASP A 5 -0.419 5.107 -0.105 1.00 0.00 N ATOM 58 CA ASP A 5 -0.902 3.717 0.143 1.00 0.00 C ATOM 59 C ASP A 5 -0.595 2.788 -1.093 1.00 0.00 C ATOM 60 O ASP A 5 -0.170 3.255 -2.157 1.00 0.00 O ATOM 61 CB ASP A 5 -2.421 3.818 0.508 1.00 0.00 C ATOM 62 CG ASP A 5 -3.116 2.537 1.007 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.943 1.967 0.290 1.00 0.00 O ATOM 64 H ASP A 5 -0.371 5.501 -1.052 1.00 0.00 H ATOM 65 HA ASP A 5 -0.341 3.331 1.021 1.00 0.00 H ATOM 66 HB2 ASP A 5 -2.576 4.597 1.281 1.00 0.00 H ATOM 67 HB3 ASP A 5 -2.983 4.195 -0.369 1.00 0.00 H ATOM 68 N SER A 6 -0.810 1.457 -0.964 1.00 0.00 N ATOM 69 CA SER A 6 -0.562 0.478 -2.058 1.00 0.00 C ATOM 70 C SER A 6 -1.691 0.429 -3.135 1.00 0.00 C ATOM 71 O SER A 6 -1.399 0.652 -4.313 1.00 0.00 O ATOM 72 CB SER A 6 -0.277 -0.904 -1.420 1.00 0.00 C ATOM 73 OG SER A 6 0.134 -1.847 -2.405 1.00 0.00 O ATOM 74 H SER A 6 -1.209 1.130 -0.076 1.00 0.00 H ATOM 75 HA SER A 6 0.372 0.770 -2.578 1.00 0.00 H ATOM 76 HB2 SER A 6 0.522 -0.828 -0.659 1.00 0.00 H ATOM 77 HB3 SER A 6 -1.164 -1.294 -0.884 1.00 0.00 H ATOM 78 HG SER A 6 -0.562 -1.870 -3.067 1.00 0.00 H ATOM 79 N GLY A 7 -2.949 0.124 -2.752 1.00 0.00 N ATOM 80 CA GLY A 7 -4.088 0.042 -3.700 1.00 0.00 C ATOM 81 C GLY A 7 -4.297 -1.361 -4.311 1.00 0.00 C ATOM 82 O GLY A 7 -4.127 -1.540 -5.519 1.00 0.00 O ATOM 83 H GLY A 7 -3.072 -0.034 -1.746 1.00 0.00 H ATOM 84 HA2 GLY A 7 -5.010 0.349 -3.172 1.00 0.00 H ATOM 85 HA3 GLY A 7 -3.978 0.786 -4.513 1.00 0.00 H ATOM 86 N LYS A 8 -4.668 -2.341 -3.466 1.00 0.00 N ATOM 87 CA LYS A 8 -4.913 -3.749 -3.887 1.00 0.00 C ATOM 88 C LYS A 8 -5.834 -4.417 -2.817 1.00 0.00 C ATOM 89 O LYS A 8 -7.007 -4.671 -3.102 1.00 0.00 O ATOM 90 CB LYS A 8 -3.580 -4.505 -4.186 1.00 0.00 C ATOM 91 CG LYS A 8 -3.758 -5.917 -4.786 1.00 0.00 C ATOM 92 CD LYS A 8 -2.414 -6.609 -5.088 1.00 0.00 C ATOM 93 CE LYS A 8 -2.597 -8.015 -5.687 1.00 0.00 C ATOM 94 NZ LYS A 8 -1.290 -8.646 -5.967 1.00 0.00 N ATOM 95 H LYS A 8 -4.782 -2.039 -2.492 1.00 0.00 H ATOM 96 HA LYS A 8 -5.494 -3.724 -4.831 1.00 0.00 H ATOM 97 HB2 LYS A 8 -2.975 -3.905 -4.892 1.00 0.00 H ATOM 98 HB3 LYS A 8 -2.967 -4.564 -3.266 1.00 0.00 H ATOM 99 HG2 LYS A 8 -4.349 -6.544 -4.091 1.00 0.00 H ATOM 100 HG3 LYS A 8 -4.360 -5.848 -5.713 1.00 0.00 H ATOM 101 HD2 LYS A 8 -1.826 -5.977 -5.783 1.00 0.00 H ATOM 102 HD3 LYS A 8 -1.817 -6.670 -4.157 1.00 0.00 H ATOM 103 HE2 LYS A 8 -3.177 -8.656 -4.995 1.00 0.00 H ATOM 104 HE3 LYS A 8 -3.189 -7.962 -6.622 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -1.392 -9.586 -6.368 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -0.735 -8.096 -6.632 1.00 0.00 H ATOM 107 HZ3 LYS A 8 -0.723 -8.744 -5.117 1.00 0.00 H ATOM 108 N LEU A 9 -5.301 -4.706 -1.611 1.00 0.00 N ATOM 109 CA LEU A 9 -6.061 -5.323 -0.492 1.00 0.00 C ATOM 110 C LEU A 9 -5.686 -4.528 0.795 1.00 0.00 C ATOM 111 O LEU A 9 -6.478 -3.685 1.228 1.00 0.00 O ATOM 112 CB LEU A 9 -5.834 -6.866 -0.466 1.00 0.00 C ATOM 113 CG LEU A 9 -6.613 -7.670 0.612 1.00 0.00 C ATOM 114 CD1 LEU A 9 -8.140 -7.653 0.394 1.00 0.00 C ATOM 115 CD2 LEU A 9 -6.112 -9.126 0.666 1.00 0.00 C ATOM 116 H LEU A 9 -4.317 -4.436 -1.508 1.00 0.00 H ATOM 117 HA LEU A 9 -7.144 -5.154 -0.653 1.00 0.00 H ATOM 118 HB2 LEU A 9 -6.080 -7.284 -1.463 1.00 0.00 H ATOM 119 HB3 LEU A 9 -4.750 -7.059 -0.346 1.00 0.00 H ATOM 120 HG LEU A 9 -6.407 -7.220 1.602 1.00 0.00 H ATOM 121 HD11 LEU A 9 -8.424 -8.071 -0.591 1.00 0.00 H ATOM 122 HD12 LEU A 9 -8.670 -8.242 1.165 1.00 0.00 H ATOM 123 HD13 LEU A 9 -8.552 -6.629 0.447 1.00 0.00 H ATOM 124 HD21 LEU A 9 -6.620 -9.705 1.461 1.00 0.00 H ATOM 125 HD22 LEU A 9 -6.281 -9.661 -0.287 1.00 0.00 H ATOM 126 HD23 LEU A 9 -5.029 -9.177 0.884 1.00 0.00 H ATOM 127 N ILE A 10 -4.498 -4.775 1.389 1.00 0.00 N ATOM 128 CA ILE A 10 -4.016 -4.057 2.604 1.00 0.00 C ATOM 129 C ILE A 10 -3.067 -2.905 2.137 1.00 0.00 C ATOM 130 O ILE A 10 -2.102 -3.133 1.397 1.00 0.00 O ATOM 131 CB ILE A 10 -3.413 -5.060 3.655 1.00 0.00 C ATOM 132 CG1 ILE A 10 -3.161 -4.435 5.060 1.00 0.00 C ATOM 133 CG2 ILE A 10 -2.124 -5.789 3.199 1.00 0.00 C ATOM 134 CD1 ILE A 10 -4.423 -4.039 5.845 1.00 0.00 C ATOM 135 H ILE A 10 -3.932 -5.497 0.931 1.00 0.00 H ATOM 136 HA ILE A 10 -4.898 -3.606 3.101 1.00 0.00 H ATOM 137 HB ILE A 10 -4.167 -5.858 3.805 1.00 0.00 H ATOM 138 HG12 ILE A 10 -2.606 -5.154 5.693 1.00 0.00 H ATOM 139 HG13 ILE A 10 -2.490 -3.559 4.975 1.00 0.00 H ATOM 140 HG21 ILE A 10 -2.238 -6.258 2.205 1.00 0.00 H ATOM 141 HG22 ILE A 10 -1.263 -5.098 3.141 1.00 0.00 H ATOM 142 HG23 ILE A 10 -1.841 -6.597 3.899 1.00 0.00 H ATOM 143 HD11 ILE A 10 -4.162 -3.679 6.858 1.00 0.00 H ATOM 144 HD12 ILE A 10 -4.988 -3.228 5.352 1.00 0.00 H ATOM 145 HD13 ILE A 10 -5.109 -4.896 5.975 1.00 0.00 H HETATM 146 N SET A 11 -3.343 -1.667 2.591 1.00 0.00 N HETATM 147 CA SET A 11 -2.542 -0.461 2.224 1.00 0.00 C HETATM 148 CB SET A 11 -1.028 -0.460 2.600 1.00 0.00 C HETATM 149 OG SET A 11 -0.253 0.144 1.854 1.00 0.00 O HETATM 150 NT SET A 11 -2.766 2.097 2.225 1.00 0.00 N HETATM 151 C SET A 11 -3.271 0.797 2.772 1.00 0.00 C HETATM 152 H SET A 11 -4.196 -1.589 3.155 1.00 0.00 H HETATM 153 HA SET A 11 -2.585 -0.397 1.119 1.00 0.00 H HETATM 154 HB2 SET A 11 -4.360 0.700 2.572 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.202 0.791 3.877 1.00 0.00 H HETATM 156 HNT2 SET A 11 -2.054 2.696 2.676 1.00 0.00 H ATOM 157 N THR A 12 -0.601 -1.094 3.713 1.00 0.00 N ATOM 158 CA THR A 12 0.837 -1.137 4.112 1.00 0.00 C ATOM 159 C THR A 12 1.556 -2.319 3.374 1.00 0.00 C ATOM 160 O THR A 12 1.902 -3.343 3.971 1.00 0.00 O ATOM 161 CB THR A 12 0.950 -1.162 5.669 1.00 0.00 C ATOM 162 OG1 THR A 12 0.214 -0.085 6.247 1.00 0.00 O ATOM 163 CG2 THR A 12 2.389 -1.031 6.199 1.00 0.00 C ATOM 164 H THR A 12 -1.337 -1.550 4.264 1.00 0.00 H ATOM 165 HA THR A 12 1.329 -0.195 3.792 1.00 0.00 H ATOM 166 HB THR A 12 0.523 -2.111 6.050 1.00 0.00 H ATOM 167 HG1 THR A 12 0.670 0.718 5.985 1.00 0.00 H ATOM 168 HG21 THR A 12 2.410 -1.029 7.305 1.00 0.00 H ATOM 169 HG22 THR A 12 3.031 -1.868 5.870 1.00 0.00 H ATOM 170 HG23 THR A 12 2.870 -0.094 5.861 1.00 0.00 H ATOM 171 N THR A 13 1.757 -2.149 2.053 1.00 0.00 N ATOM 172 CA THR A 13 2.436 -3.152 1.182 1.00 0.00 C ATOM 173 C THR A 13 3.360 -2.350 0.215 1.00 0.00 C ATOM 174 O THR A 13 2.965 -2.017 -0.907 1.00 0.00 O ATOM 175 CB THR A 13 1.398 -4.068 0.457 1.00 0.00 C ATOM 176 OG1 THR A 13 0.566 -4.722 1.408 1.00 0.00 O ATOM 177 CG2 THR A 13 2.025 -5.176 -0.407 1.00 0.00 C ATOM 178 H THR A 13 1.220 -1.354 1.676 1.00 0.00 H ATOM 179 HA THR A 13 3.077 -3.815 1.799 1.00 0.00 H ATOM 180 HB THR A 13 0.750 -3.449 -0.192 1.00 0.00 H ATOM 181 HG1 THR A 13 0.122 -4.023 1.895 1.00 0.00 H ATOM 182 HG21 THR A 13 1.247 -5.806 -0.875 1.00 0.00 H ATOM 183 HG22 THR A 13 2.641 -4.763 -1.227 1.00 0.00 H ATOM 184 HG23 THR A 13 2.672 -5.845 0.191 1.00 0.00 H ATOM 185 N ALA A 14 4.597 -2.049 0.658 1.00 0.00 N ATOM 186 CA ALA A 14 5.580 -1.285 -0.150 1.00 0.00 C ATOM 187 C ALA A 14 6.520 -2.254 -0.901 1.00 0.00 C ATOM 188 O ALA A 14 7.598 -2.656 -0.461 1.00 0.00 O ATOM 189 CB ALA A 14 6.322 -0.303 0.775 1.00 0.00 C ATOM 190 OXT ALA A 14 6.003 -2.628 -2.115 1.00 0.00 O ATOM 191 H ALA A 14 4.806 -2.366 1.611 1.00 0.00 H ATOM 192 HA ALA A 14 5.063 -0.660 -0.905 1.00 0.00 H ATOM 193 HB1 ALA A 14 6.881 -0.819 1.579 1.00 0.00 H ATOM 194 HB2 ALA A 14 7.053 0.307 0.212 1.00 0.00 H ATOM 195 HB3 ALA A 14 5.626 0.408 1.260 1.00 0.00 H ATOM 196 HXT ALA A 14 5.140 -2.240 -2.272 1.00 0.00 H TER 197 ALA A 14