HETATM 1 C ACE A 1 -1.121 -2.246 -3.050 1.00 0.00 C HETATM 2 O ACE A 1 -0.575 -1.285 -2.508 1.00 0.00 O HETATM 3 CH3 ACE A 1 -1.137 -3.613 -2.369 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.936 -4.439 -3.076 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.366 -3.672 -1.580 1.00 0.00 H HETATM 6 H3 ACE A 1 -2.114 -3.802 -1.889 1.00 0.00 H ATOM 7 N ILE A 2 -1.720 -2.195 -4.244 1.00 0.00 N ATOM 8 CA ILE A 2 -1.823 -0.949 -5.072 1.00 0.00 C ATOM 9 C ILE A 2 -3.310 -0.541 -5.325 1.00 0.00 C ATOM 10 O ILE A 2 -3.655 0.624 -5.107 1.00 0.00 O ATOM 11 CB ILE A 2 -0.945 -0.966 -6.377 1.00 0.00 C ATOM 12 CG1 ILE A 2 -1.190 -2.171 -7.338 1.00 0.00 C ATOM 13 CG2 ILE A 2 0.559 -0.817 -6.035 1.00 0.00 C ATOM 14 CD1 ILE A 2 -0.668 -1.989 -8.773 1.00 0.00 C ATOM 15 H ILE A 2 -2.121 -3.087 -4.552 1.00 0.00 H ATOM 16 HA ILE A 2 -1.433 -0.100 -4.474 1.00 0.00 H ATOM 17 HB ILE A 2 -1.211 -0.048 -6.937 1.00 0.00 H ATOM 18 HG12 ILE A 2 -0.765 -3.096 -6.906 1.00 0.00 H ATOM 19 HG13 ILE A 2 -2.273 -2.370 -7.422 1.00 0.00 H ATOM 20 HG21 ILE A 2 0.745 0.066 -5.397 1.00 0.00 H ATOM 21 HG22 ILE A 2 0.950 -1.699 -5.495 1.00 0.00 H ATOM 22 HG23 ILE A 2 1.182 -0.684 -6.939 1.00 0.00 H ATOM 23 HD11 ILE A 2 -0.931 -2.858 -9.403 1.00 0.00 H ATOM 24 HD12 ILE A 2 -1.105 -1.095 -9.255 1.00 0.00 H ATOM 25 HD13 ILE A 2 0.432 -1.885 -8.806 1.00 0.00 H ATOM 26 N TRP A 3 -4.185 -1.468 -5.774 1.00 0.00 N ATOM 27 CA TRP A 3 -5.628 -1.185 -6.037 1.00 0.00 C ATOM 28 C TRP A 3 -6.433 -0.957 -4.721 1.00 0.00 C ATOM 29 O TRP A 3 -7.047 0.103 -4.567 1.00 0.00 O ATOM 30 CB TRP A 3 -6.250 -2.288 -6.944 1.00 0.00 C ATOM 31 CG TRP A 3 -5.660 -2.378 -8.361 1.00 0.00 C ATOM 32 CD1 TRP A 3 -4.815 -3.397 -8.849 1.00 0.00 C ATOM 33 CD2 TRP A 3 -5.790 -1.474 -9.399 1.00 0.00 C ATOM 34 NE1 TRP A 3 -4.410 -3.148 -10.175 1.00 0.00 N ATOM 35 CE2 TRP A 3 -5.026 -1.948 -10.495 1.00 0.00 C ATOM 36 CE3 TRP A 3 -6.493 -0.247 -9.489 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -4.962 -1.196 -11.692 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -6.417 0.477 -10.681 1.00 0.00 C ATOM 39 CH2 TRP A 3 -5.663 0.009 -11.766 1.00 0.00 C ATOM 40 H TRP A 3 -3.778 -2.394 -5.940 1.00 0.00 H ATOM 41 HA TRP A 3 -5.687 -0.234 -6.603 1.00 0.00 H ATOM 42 HB2 TRP A 3 -6.180 -3.274 -6.446 1.00 0.00 H ATOM 43 HB3 TRP A 3 -7.337 -2.106 -7.044 1.00 0.00 H ATOM 44 HD1 TRP A 3 -4.495 -4.253 -8.273 1.00 0.00 H ATOM 45 HE1 TRP A 3 -3.791 -3.715 -10.766 1.00 0.00 H ATOM 46 HE3 TRP A 3 -7.066 0.121 -8.649 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -4.379 -1.543 -12.533 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -6.946 1.415 -10.766 1.00 0.00 H ATOM 49 HH2 TRP A 3 -5.622 0.593 -12.674 1.00 0.00 H ATOM 50 N GLY A 4 -6.427 -1.935 -3.790 1.00 0.00 N ATOM 51 CA GLY A 4 -7.111 -1.807 -2.481 1.00 0.00 C ATOM 52 C GLY A 4 -6.167 -1.098 -1.488 1.00 0.00 C ATOM 53 O GLY A 4 -6.127 0.136 -1.467 1.00 0.00 O ATOM 54 H GLY A 4 -5.881 -2.760 -4.057 1.00 0.00 H ATOM 55 HA2 GLY A 4 -8.058 -1.242 -2.572 1.00 0.00 H ATOM 56 HA3 GLY A 4 -7.401 -2.811 -2.116 1.00 0.00 H ATOM 57 N ASP A 5 -5.418 -1.869 -0.674 1.00 0.00 N ATOM 58 CA ASP A 5 -4.440 -1.299 0.295 1.00 0.00 C ATOM 59 C ASP A 5 -3.381 -2.379 0.736 1.00 0.00 C ATOM 60 O ASP A 5 -3.650 -3.585 0.674 1.00 0.00 O ATOM 61 CB ASP A 5 -5.156 -0.632 1.519 1.00 0.00 C ATOM 62 CG ASP A 5 -4.278 0.374 2.288 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.789 0.072 3.379 1.00 0.00 O ATOM 64 H ASP A 5 -5.538 -2.881 -0.794 1.00 0.00 H ATOM 65 HA ASP A 5 -3.929 -0.504 -0.291 1.00 0.00 H ATOM 66 HB2 ASP A 5 -6.077 -0.107 1.201 1.00 0.00 H ATOM 67 HB3 ASP A 5 -5.516 -1.412 2.217 1.00 0.00 H ATOM 68 N SER A 6 -2.181 -1.962 1.211 1.00 0.00 N ATOM 69 CA SER A 6 -1.109 -2.892 1.665 1.00 0.00 C ATOM 70 C SER A 6 -1.317 -3.413 3.123 1.00 0.00 C ATOM 71 O SER A 6 -1.413 -4.629 3.313 1.00 0.00 O ATOM 72 CB SER A 6 0.275 -2.217 1.486 1.00 0.00 C ATOM 73 OG SER A 6 0.546 -1.906 0.123 1.00 0.00 O ATOM 74 H SER A 6 -2.022 -0.953 1.301 1.00 0.00 H ATOM 75 HA SER A 6 -1.103 -3.779 0.999 1.00 0.00 H ATOM 76 HB2 SER A 6 0.354 -1.296 2.092 1.00 0.00 H ATOM 77 HB3 SER A 6 1.077 -2.886 1.853 1.00 0.00 H ATOM 78 HG SER A 6 -0.139 -1.294 -0.163 1.00 0.00 H ATOM 79 N GLY A 7 -1.378 -2.520 4.135 1.00 0.00 N ATOM 80 CA GLY A 7 -1.564 -2.903 5.557 1.00 0.00 C ATOM 81 C GLY A 7 -0.264 -2.888 6.392 1.00 0.00 C ATOM 82 O GLY A 7 0.120 -3.920 6.947 1.00 0.00 O ATOM 83 H GLY A 7 -1.266 -1.539 3.861 1.00 0.00 H ATOM 84 HA2 GLY A 7 -2.288 -2.204 6.015 1.00 0.00 H ATOM 85 HA3 GLY A 7 -2.048 -3.895 5.648 1.00 0.00 H ATOM 86 N LYS A 8 0.394 -1.716 6.483 1.00 0.00 N ATOM 87 CA LYS A 8 1.658 -1.531 7.249 1.00 0.00 C ATOM 88 C LYS A 8 1.853 -0.006 7.520 1.00 0.00 C ATOM 89 O LYS A 8 1.730 0.425 8.669 1.00 0.00 O ATOM 90 CB LYS A 8 2.875 -2.235 6.562 1.00 0.00 C ATOM 91 CG LYS A 8 4.228 -2.185 7.311 1.00 0.00 C ATOM 92 CD LYS A 8 4.256 -2.967 8.642 1.00 0.00 C ATOM 93 CE LYS A 8 5.641 -2.940 9.312 1.00 0.00 C ATOM 94 NZ LYS A 8 5.628 -3.693 10.584 1.00 0.00 N ATOM 95 H LYS A 8 -0.052 -0.941 5.980 1.00 0.00 H ATOM 96 HA LYS A 8 1.516 -2.009 8.238 1.00 0.00 H ATOM 97 HB2 LYS A 8 2.629 -3.297 6.369 1.00 0.00 H ATOM 98 HB3 LYS A 8 3.020 -1.804 5.553 1.00 0.00 H ATOM 99 HG2 LYS A 8 5.007 -2.592 6.638 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.519 -1.131 7.483 1.00 0.00 H ATOM 101 HD2 LYS A 8 3.500 -2.544 9.332 1.00 0.00 H ATOM 102 HD3 LYS A 8 3.944 -4.014 8.457 1.00 0.00 H ATOM 103 HE2 LYS A 8 6.406 -3.369 8.635 1.00 0.00 H ATOM 104 HE3 LYS A 8 5.955 -1.895 9.505 1.00 0.00 H ATOM 105 HZ1 LYS A 8 4.953 -3.303 11.252 1.00 0.00 H ATOM 106 HZ2 LYS A 8 5.370 -4.676 10.442 1.00 0.00 H ATOM 107 HZ3 LYS A 8 6.545 -3.688 11.047 1.00 0.00 H ATOM 108 N LEU A 9 2.170 0.791 6.477 1.00 0.00 N ATOM 109 CA LEU A 9 2.374 2.262 6.585 1.00 0.00 C ATOM 110 C LEU A 9 1.747 2.922 5.320 1.00 0.00 C ATOM 111 O LEU A 9 0.686 3.544 5.430 1.00 0.00 O ATOM 112 CB LEU A 9 3.875 2.585 6.864 1.00 0.00 C ATOM 113 CG LEU A 9 4.242 4.080 7.084 1.00 0.00 C ATOM 114 CD1 LEU A 9 3.621 4.671 8.366 1.00 0.00 C ATOM 115 CD2 LEU A 9 5.772 4.260 7.117 1.00 0.00 C ATOM 116 H LEU A 9 2.235 0.304 5.576 1.00 0.00 H ATOM 117 HA LEU A 9 1.790 2.637 7.449 1.00 0.00 H ATOM 118 HB2 LEU A 9 4.211 2.007 7.747 1.00 0.00 H ATOM 119 HB3 LEU A 9 4.480 2.186 6.026 1.00 0.00 H ATOM 120 HG LEU A 9 3.865 4.665 6.224 1.00 0.00 H ATOM 121 HD11 LEU A 9 3.935 4.121 9.273 1.00 0.00 H ATOM 122 HD12 LEU A 9 3.907 5.730 8.509 1.00 0.00 H ATOM 123 HD13 LEU A 9 2.516 4.650 8.336 1.00 0.00 H ATOM 124 HD21 LEU A 9 6.056 5.324 7.226 1.00 0.00 H ATOM 125 HD22 LEU A 9 6.239 3.709 7.955 1.00 0.00 H ATOM 126 HD23 LEU A 9 6.245 3.901 6.184 1.00 0.00 H ATOM 127 N ILE A 10 2.380 2.785 4.133 1.00 0.00 N ATOM 128 CA ILE A 10 1.865 3.350 2.853 1.00 0.00 C ATOM 129 C ILE A 10 0.847 2.337 2.235 1.00 0.00 C ATOM 130 O ILE A 10 1.208 1.208 1.885 1.00 0.00 O ATOM 131 CB ILE A 10 3.041 3.786 1.904 1.00 0.00 C ATOM 132 CG1 ILE A 10 2.576 4.524 0.613 1.00 0.00 C ATOM 133 CG2 ILE A 10 4.023 2.650 1.512 1.00 0.00 C ATOM 134 CD1 ILE A 10 1.881 5.878 0.830 1.00 0.00 C ATOM 135 H ILE A 10 3.252 2.246 4.172 1.00 0.00 H ATOM 136 HA ILE A 10 1.330 4.289 3.101 1.00 0.00 H ATOM 137 HB ILE A 10 3.650 4.517 2.471 1.00 0.00 H ATOM 138 HG12 ILE A 10 3.448 4.712 -0.042 1.00 0.00 H ATOM 139 HG13 ILE A 10 1.912 3.869 0.016 1.00 0.00 H ATOM 140 HG21 ILE A 10 4.867 3.025 0.903 1.00 0.00 H ATOM 141 HG22 ILE A 10 4.471 2.166 2.399 1.00 0.00 H ATOM 142 HG23 ILE A 10 3.530 1.853 0.925 1.00 0.00 H ATOM 143 HD11 ILE A 10 2.517 6.577 1.404 1.00 0.00 H ATOM 144 HD12 ILE A 10 1.654 6.364 -0.136 1.00 0.00 H ATOM 145 HD13 ILE A 10 0.923 5.773 1.370 1.00 0.00 H HETATM 146 N SET A 11 -0.425 2.758 2.104 1.00 0.00 N HETATM 147 CA SET A 11 -1.507 1.896 1.553 1.00 0.00 C HETATM 148 CB SET A 11 -1.417 1.638 0.015 1.00 0.00 C HETATM 149 OG SET A 11 -1.316 0.472 -0.372 1.00 0.00 O HETATM 150 NT SET A 11 -4.032 1.534 1.657 1.00 0.00 N HETATM 151 C SET A 11 -2.891 2.417 2.048 1.00 0.00 C HETATM 152 H SET A 11 -0.611 3.695 2.476 1.00 0.00 H HETATM 153 HA SET A 11 -1.388 0.904 2.034 1.00 0.00 H HETATM 154 HB2 SET A 11 -2.861 2.548 3.153 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.059 3.445 1.670 1.00 0.00 H HETATM 156 HNT2 SET A 11 -4.532 1.594 0.754 1.00 0.00 H ATOM 157 N THR A 12 -1.448 2.675 -0.848 1.00 0.00 N ATOM 158 CA THR A 12 -1.384 2.495 -2.336 1.00 0.00 C ATOM 159 C THR A 12 0.049 2.296 -2.960 1.00 0.00 C ATOM 160 O THR A 12 0.331 2.782 -4.061 1.00 0.00 O ATOM 161 CB THR A 12 -2.258 3.613 -2.992 1.00 0.00 C ATOM 162 OG1 THR A 12 -2.474 3.306 -4.365 1.00 0.00 O ATOM 163 CG2 THR A 12 -1.710 5.052 -2.910 1.00 0.00 C ATOM 164 H THR A 12 -1.514 3.602 -0.413 1.00 0.00 H ATOM 165 HA THR A 12 -1.919 1.555 -2.581 1.00 0.00 H ATOM 166 HB THR A 12 -3.254 3.609 -2.508 1.00 0.00 H ATOM 167 HG1 THR A 12 -3.025 4.010 -4.713 1.00 0.00 H ATOM 168 HG21 THR A 12 -0.739 5.155 -3.428 1.00 0.00 H ATOM 169 HG22 THR A 12 -2.406 5.774 -3.376 1.00 0.00 H ATOM 170 HG23 THR A 12 -1.561 5.377 -1.864 1.00 0.00 H ATOM 171 N THR A 13 0.943 1.550 -2.282 1.00 0.00 N ATOM 172 CA THR A 13 2.321 1.262 -2.763 1.00 0.00 C ATOM 173 C THR A 13 2.703 -0.106 -2.127 1.00 0.00 C ATOM 174 O THR A 13 2.928 -0.199 -0.914 1.00 0.00 O ATOM 175 CB THR A 13 3.345 2.392 -2.423 1.00 0.00 C ATOM 176 OG1 THR A 13 2.886 3.656 -2.892 1.00 0.00 O ATOM 177 CG2 THR A 13 4.741 2.173 -3.033 1.00 0.00 C ATOM 178 H THR A 13 0.584 1.155 -1.405 1.00 0.00 H ATOM 179 HA THR A 13 2.298 1.162 -3.868 1.00 0.00 H ATOM 180 HB THR A 13 3.458 2.462 -1.327 1.00 0.00 H ATOM 181 HG1 THR A 13 2.597 3.517 -3.798 1.00 0.00 H ATOM 182 HG21 THR A 13 5.209 1.241 -2.665 1.00 0.00 H ATOM 183 HG22 THR A 13 4.703 2.112 -4.136 1.00 0.00 H ATOM 184 HG23 THR A 13 5.426 3.000 -2.772 1.00 0.00 H ATOM 185 N ALA A 14 2.789 -1.158 -2.961 1.00 0.00 N ATOM 186 CA ALA A 14 3.138 -2.526 -2.505 1.00 0.00 C ATOM 187 C ALA A 14 4.659 -2.688 -2.271 1.00 0.00 C ATOM 188 O ALA A 14 5.512 -2.553 -3.150 1.00 0.00 O ATOM 189 CB ALA A 14 2.629 -3.537 -3.548 1.00 0.00 C ATOM 190 OXT ALA A 14 4.952 -2.995 -0.968 1.00 0.00 O ATOM 191 H ALA A 14 2.530 -0.957 -3.932 1.00 0.00 H ATOM 192 HA ALA A 14 2.601 -2.741 -1.559 1.00 0.00 H ATOM 193 HB1 ALA A 14 1.538 -3.454 -3.703 1.00 0.00 H ATOM 194 HB2 ALA A 14 3.110 -3.402 -4.536 1.00 0.00 H ATOM 195 HB3 ALA A 14 2.823 -4.578 -3.231 1.00 0.00 H ATOM 196 HXT ALA A 14 5.899 -3.084 -0.838 1.00 0.00 H TER 197 ALA A 14