HETATM 1 C ACE A 1 2.483 2.409 -3.468 1.00 0.00 C HETATM 2 O ACE A 1 2.671 1.704 -2.475 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.239 2.224 -4.331 1.00 0.00 C HETATM 4 H1 ACE A 1 0.638 1.364 -3.984 1.00 0.00 H HETATM 5 H2 ACE A 1 0.586 3.115 -4.295 1.00 0.00 H HETATM 6 H3 ACE A 1 1.498 2.031 -5.389 1.00 0.00 H ATOM 7 N ILE A 2 3.313 3.376 -3.881 1.00 0.00 N ATOM 8 CA ILE A 2 4.593 3.722 -3.185 1.00 0.00 C ATOM 9 C ILE A 2 4.449 4.971 -2.257 1.00 0.00 C ATOM 10 O ILE A 2 4.773 4.876 -1.070 1.00 0.00 O ATOM 11 CB ILE A 2 5.837 3.771 -4.149 1.00 0.00 C ATOM 12 CG1 ILE A 2 5.707 4.725 -5.378 1.00 0.00 C ATOM 13 CG2 ILE A 2 6.251 2.345 -4.596 1.00 0.00 C ATOM 14 CD1 ILE A 2 7.024 5.069 -6.094 1.00 0.00 C ATOM 15 H ILE A 2 2.955 3.932 -4.664 1.00 0.00 H ATOM 16 HA ILE A 2 4.828 2.905 -2.474 1.00 0.00 H ATOM 17 HB ILE A 2 6.683 4.146 -3.540 1.00 0.00 H ATOM 18 HG12 ILE A 2 4.991 4.306 -6.110 1.00 0.00 H ATOM 19 HG13 ILE A 2 5.259 5.684 -5.064 1.00 0.00 H ATOM 20 HG21 ILE A 2 5.479 1.867 -5.227 1.00 0.00 H ATOM 21 HG22 ILE A 2 7.193 2.343 -5.173 1.00 0.00 H ATOM 22 HG23 ILE A 2 6.423 1.678 -3.731 1.00 0.00 H ATOM 23 HD11 ILE A 2 7.494 4.180 -6.552 1.00 0.00 H ATOM 24 HD12 ILE A 2 6.854 5.798 -6.908 1.00 0.00 H ATOM 25 HD13 ILE A 2 7.760 5.519 -5.402 1.00 0.00 H ATOM 26 N TRP A 3 3.972 6.123 -2.774 1.00 0.00 N ATOM 27 CA TRP A 3 3.795 7.369 -1.976 1.00 0.00 C ATOM 28 C TRP A 3 2.594 7.328 -0.975 1.00 0.00 C ATOM 29 O TRP A 3 2.790 7.647 0.201 1.00 0.00 O ATOM 30 CB TRP A 3 3.746 8.573 -2.962 1.00 0.00 C ATOM 31 CG TRP A 3 3.770 9.961 -2.304 1.00 0.00 C ATOM 32 CD1 TRP A 3 4.816 10.468 -1.506 1.00 0.00 C ATOM 33 CD2 TRP A 3 2.801 10.952 -2.316 1.00 0.00 C ATOM 34 NE1 TRP A 3 4.528 11.754 -1.014 1.00 0.00 N ATOM 35 CE2 TRP A 3 3.272 12.034 -1.528 1.00 0.00 C ATOM 36 CE3 TRP A 3 1.526 11.019 -2.936 1.00 0.00 C ATOM 37 CZ2 TRP A 3 2.471 13.187 -1.352 1.00 0.00 C ATOM 38 CZ3 TRP A 3 0.755 12.167 -2.748 1.00 0.00 C ATOM 39 CH2 TRP A 3 1.219 13.234 -1.969 1.00 0.00 C ATOM 40 H TRP A 3 3.759 6.085 -3.776 1.00 0.00 H ATOM 41 HA TRP A 3 4.712 7.499 -1.367 1.00 0.00 H ATOM 42 HB2 TRP A 3 4.609 8.524 -3.655 1.00 0.00 H ATOM 43 HB3 TRP A 3 2.859 8.484 -3.618 1.00 0.00 H ATOM 44 HD1 TRP A 3 5.711 9.912 -1.269 1.00 0.00 H ATOM 45 HE1 TRP A 3 5.103 12.340 -0.398 1.00 0.00 H ATOM 46 HE3 TRP A 3 1.152 10.209 -3.544 1.00 0.00 H ATOM 47 HZ2 TRP A 3 2.817 14.015 -0.751 1.00 0.00 H ATOM 48 HZ3 TRP A 3 -0.218 12.235 -3.214 1.00 0.00 H ATOM 49 HH2 TRP A 3 0.598 14.109 -1.842 1.00 0.00 H ATOM 50 N GLY A 4 1.380 6.965 -1.435 1.00 0.00 N ATOM 51 CA GLY A 4 0.182 6.894 -0.565 1.00 0.00 C ATOM 52 C GLY A 4 -0.041 5.481 0.011 1.00 0.00 C ATOM 53 O GLY A 4 0.823 4.956 0.720 1.00 0.00 O ATOM 54 H GLY A 4 1.390 6.618 -2.401 1.00 0.00 H ATOM 55 HA2 GLY A 4 0.249 7.615 0.273 1.00 0.00 H ATOM 56 HA3 GLY A 4 -0.691 7.236 -1.154 1.00 0.00 H ATOM 57 N ASP A 5 -1.212 4.887 -0.279 1.00 0.00 N ATOM 58 CA ASP A 5 -1.567 3.521 0.201 1.00 0.00 C ATOM 59 C ASP A 5 -1.146 2.419 -0.845 1.00 0.00 C ATOM 60 O ASP A 5 -0.941 2.719 -2.027 1.00 0.00 O ATOM 61 CB ASP A 5 -3.095 3.520 0.521 1.00 0.00 C ATOM 62 CG ASP A 5 -3.624 2.264 1.244 1.00 0.00 C ATOM 63 OD1 ASP A 5 -4.262 1.413 0.619 1.00 0.00 O ATOM 64 H ASP A 5 -1.831 5.425 -0.895 1.00 0.00 H ATOM 65 HA ASP A 5 -1.031 3.377 1.164 1.00 0.00 H ATOM 66 HB2 ASP A 5 -3.360 4.404 1.134 1.00 0.00 H ATOM 67 HB3 ASP A 5 -3.671 3.650 -0.416 1.00 0.00 H ATOM 68 N SER A 6 -1.043 1.134 -0.431 1.00 0.00 N ATOM 69 CA SER A 6 -0.657 0.013 -1.333 1.00 0.00 C ATOM 70 C SER A 6 -1.715 -0.369 -2.419 1.00 0.00 C ATOM 71 O SER A 6 -1.355 -0.478 -3.595 1.00 0.00 O ATOM 72 CB SER A 6 -0.284 -1.196 -0.444 1.00 0.00 C ATOM 73 OG SER A 6 0.362 -2.210 -1.206 1.00 0.00 O ATOM 74 H SER A 6 -1.321 0.916 0.532 1.00 0.00 H ATOM 75 HA SER A 6 0.271 0.312 -1.858 1.00 0.00 H ATOM 76 HB2 SER A 6 0.389 -0.893 0.380 1.00 0.00 H ATOM 77 HB3 SER A 6 -1.181 -1.621 0.045 1.00 0.00 H ATOM 78 HG SER A 6 0.614 -2.897 -0.583 1.00 0.00 H ATOM 79 N GLY A 7 -2.991 -0.581 -2.035 1.00 0.00 N ATOM 80 CA GLY A 7 -4.072 -0.959 -2.980 1.00 0.00 C ATOM 81 C GLY A 7 -4.189 -2.472 -3.272 1.00 0.00 C ATOM 82 O GLY A 7 -4.140 -2.878 -4.437 1.00 0.00 O ATOM 83 H GLY A 7 -3.173 -0.424 -1.038 1.00 0.00 H ATOM 84 HA2 GLY A 7 -5.035 -0.604 -2.569 1.00 0.00 H ATOM 85 HA3 GLY A 7 -3.960 -0.406 -3.933 1.00 0.00 H ATOM 86 N LYS A 8 -4.356 -3.293 -2.218 1.00 0.00 N ATOM 87 CA LYS A 8 -4.486 -4.771 -2.336 1.00 0.00 C ATOM 88 C LYS A 8 -5.180 -5.322 -1.052 1.00 0.00 C ATOM 89 O LYS A 8 -6.321 -5.784 -1.134 1.00 0.00 O ATOM 90 CB LYS A 8 -3.122 -5.454 -2.682 1.00 0.00 C ATOM 91 CG LYS A 8 -3.196 -6.941 -3.112 1.00 0.00 C ATOM 92 CD LYS A 8 -3.302 -7.214 -4.630 1.00 0.00 C ATOM 93 CE LYS A 8 -4.607 -6.746 -5.303 1.00 0.00 C ATOM 94 NZ LYS A 8 -4.662 -7.176 -6.715 1.00 0.00 N ATOM 95 H LYS A 8 -4.381 -2.815 -1.310 1.00 0.00 H ATOM 96 HA LYS A 8 -5.186 -4.970 -3.168 1.00 0.00 H ATOM 97 HB2 LYS A 8 -2.593 -4.884 -3.470 1.00 0.00 H ATOM 98 HB3 LYS A 8 -2.449 -5.371 -1.806 1.00 0.00 H ATOM 99 HG2 LYS A 8 -2.269 -7.434 -2.761 1.00 0.00 H ATOM 100 HG3 LYS A 8 -4.003 -7.469 -2.569 1.00 0.00 H ATOM 101 HD2 LYS A 8 -2.431 -6.759 -5.141 1.00 0.00 H ATOM 102 HD3 LYS A 8 -3.184 -8.305 -4.780 1.00 0.00 H ATOM 103 HE2 LYS A 8 -5.487 -7.143 -4.758 1.00 0.00 H ATOM 104 HE3 LYS A 8 -4.687 -5.643 -5.258 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -4.622 -8.197 -6.807 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -5.524 -6.867 -7.181 1.00 0.00 H ATOM 107 HZ3 LYS A 8 -3.877 -6.798 -7.259 1.00 0.00 H ATOM 108 N LEU A 9 -4.496 -5.287 0.112 1.00 0.00 N ATOM 109 CA LEU A 9 -5.042 -5.769 1.411 1.00 0.00 C ATOM 110 C LEU A 9 -4.540 -4.786 2.511 1.00 0.00 C ATOM 111 O LEU A 9 -5.330 -3.968 2.991 1.00 0.00 O ATOM 112 CB LEU A 9 -4.724 -7.285 1.615 1.00 0.00 C ATOM 113 CG LEU A 9 -5.529 -8.042 2.711 1.00 0.00 C ATOM 114 CD1 LEU A 9 -5.377 -9.566 2.529 1.00 0.00 C ATOM 115 CD2 LEU A 9 -5.135 -7.668 4.154 1.00 0.00 C ATOM 116 H LEU A 9 -3.560 -4.872 0.042 1.00 0.00 H ATOM 117 HA LEU A 9 -6.146 -5.671 1.390 1.00 0.00 H ATOM 118 HB2 LEU A 9 -4.930 -7.795 0.652 1.00 0.00 H ATOM 119 HB3 LEU A 9 -3.638 -7.434 1.771 1.00 0.00 H ATOM 120 HG LEU A 9 -6.602 -7.806 2.579 1.00 0.00 H ATOM 121 HD11 LEU A 9 -4.327 -9.898 2.645 1.00 0.00 H ATOM 122 HD12 LEU A 9 -5.981 -10.130 3.264 1.00 0.00 H ATOM 123 HD13 LEU A 9 -5.714 -9.895 1.529 1.00 0.00 H ATOM 124 HD21 LEU A 9 -4.054 -7.813 4.343 1.00 0.00 H ATOM 125 HD22 LEU A 9 -5.370 -6.615 4.388 1.00 0.00 H ATOM 126 HD23 LEU A 9 -5.682 -8.274 4.900 1.00 0.00 H ATOM 127 N ILE A 10 -3.247 -4.850 2.900 1.00 0.00 N ATOM 128 CA ILE A 10 -2.651 -3.955 3.932 1.00 0.00 C ATOM 129 C ILE A 10 -2.129 -2.653 3.246 1.00 0.00 C ATOM 130 O ILE A 10 -1.199 -2.695 2.433 1.00 0.00 O ATOM 131 CB ILE A 10 -1.591 -4.722 4.808 1.00 0.00 C ATOM 132 CG1 ILE A 10 -1.032 -3.900 6.009 1.00 0.00 C ATOM 133 CG2 ILE A 10 -0.395 -5.323 4.022 1.00 0.00 C ATOM 134 CD1 ILE A 10 -2.062 -3.496 7.076 1.00 0.00 C ATOM 135 H ILE A 10 -2.693 -5.574 2.429 1.00 0.00 H ATOM 136 HA ILE A 10 -3.461 -3.684 4.640 1.00 0.00 H ATOM 137 HB ILE A 10 -2.117 -5.591 5.250 1.00 0.00 H ATOM 138 HG12 ILE A 10 -0.247 -4.486 6.524 1.00 0.00 H ATOM 139 HG13 ILE A 10 -0.512 -2.994 5.642 1.00 0.00 H ATOM 140 HG21 ILE A 10 -0.728 -5.989 3.206 1.00 0.00 H ATOM 141 HG22 ILE A 10 0.238 -4.542 3.564 1.00 0.00 H ATOM 142 HG23 ILE A 10 0.262 -5.931 4.671 1.00 0.00 H ATOM 143 HD11 ILE A 10 -1.572 -2.989 7.927 1.00 0.00 H ATOM 144 HD12 ILE A 10 -2.821 -2.798 6.680 1.00 0.00 H ATOM 145 HD13 ILE A 10 -2.594 -4.375 7.484 1.00 0.00 H HETATM 146 N SET A 11 -2.731 -1.498 3.592 1.00 0.00 N HETATM 147 CA SET A 11 -2.339 -0.177 3.019 1.00 0.00 C HETATM 148 CB SET A 11 -0.937 0.371 3.437 1.00 0.00 C HETATM 149 OG SET A 11 -0.338 1.085 2.627 1.00 0.00 O HETATM 150 NT SET A 11 -3.305 2.145 2.542 1.00 0.00 N HETATM 151 C SET A 11 -3.471 0.856 3.284 1.00 0.00 C HETATM 152 H SET A 11 -3.520 -1.597 4.239 1.00 0.00 H HETATM 153 HA SET A 11 -2.301 -0.316 1.920 1.00 0.00 H HETATM 154 HB2 SET A 11 -4.449 0.391 3.037 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.529 1.048 4.373 1.00 0.00 H HETATM 156 HNT2 SET A 11 -2.763 2.954 2.888 1.00 0.00 H ATOM 157 N THR A 12 -0.418 0.079 4.651 1.00 0.00 N ATOM 158 CA THR A 12 0.925 0.567 5.091 1.00 0.00 C ATOM 159 C THR A 12 2.042 -0.373 4.516 1.00 0.00 C ATOM 160 O THR A 12 2.662 -1.165 5.232 1.00 0.00 O ATOM 161 CB THR A 12 0.937 0.740 6.643 1.00 0.00 C ATOM 162 OG1 THR A 12 -0.132 1.590 7.055 1.00 0.00 O ATOM 163 CG2 THR A 12 2.224 1.372 7.202 1.00 0.00 C ATOM 164 H THR A 12 -0.983 -0.561 5.218 1.00 0.00 H ATOM 165 HA THR A 12 1.093 1.582 4.677 1.00 0.00 H ATOM 166 HB THR A 12 0.798 -0.248 7.122 1.00 0.00 H ATOM 167 HG1 THR A 12 -0.929 1.228 6.661 1.00 0.00 H ATOM 168 HG21 THR A 12 2.165 1.496 8.299 1.00 0.00 H ATOM 169 HG22 THR A 12 3.116 0.753 6.998 1.00 0.00 H ATOM 170 HG23 THR A 12 2.410 2.373 6.770 1.00 0.00 H ATOM 171 N THR A 13 2.259 -0.270 3.192 1.00 0.00 N ATOM 172 CA THR A 13 3.268 -1.063 2.440 1.00 0.00 C ATOM 173 C THR A 13 3.616 -0.197 1.193 1.00 0.00 C ATOM 174 O THR A 13 2.840 -0.124 0.233 1.00 0.00 O ATOM 175 CB THR A 13 2.747 -2.493 2.082 1.00 0.00 C ATOM 176 OG1 THR A 13 2.505 -3.234 3.273 1.00 0.00 O ATOM 177 CG2 THR A 13 3.713 -3.340 1.235 1.00 0.00 C ATOM 178 H THR A 13 1.548 0.305 2.717 1.00 0.00 H ATOM 179 HA THR A 13 4.174 -1.187 3.069 1.00 0.00 H ATOM 180 HB THR A 13 1.790 -2.409 1.532 1.00 0.00 H ATOM 181 HG1 THR A 13 2.164 -2.604 3.914 1.00 0.00 H ATOM 182 HG21 THR A 13 3.303 -4.349 1.048 1.00 0.00 H ATOM 183 HG22 THR A 13 3.907 -2.883 0.247 1.00 0.00 H ATOM 184 HG23 THR A 13 4.690 -3.472 1.737 1.00 0.00 H ATOM 185 N ALA A 14 4.798 0.447 1.212 1.00 0.00 N ATOM 186 CA ALA A 14 5.263 1.309 0.098 1.00 0.00 C ATOM 187 C ALA A 14 5.911 0.462 -1.025 1.00 0.00 C ATOM 188 O ALA A 14 7.097 0.131 -1.046 1.00 0.00 O ATOM 189 CB ALA A 14 6.222 2.371 0.667 1.00 0.00 C ATOM 190 OXT ALA A 14 5.003 0.108 -1.992 1.00 0.00 O ATOM 191 H ALA A 14 5.325 0.349 2.085 1.00 0.00 H ATOM 192 HA ALA A 14 4.403 1.862 -0.329 1.00 0.00 H ATOM 193 HB1 ALA A 14 7.113 1.924 1.146 1.00 0.00 H ATOM 194 HB2 ALA A 14 6.588 3.049 -0.127 1.00 0.00 H ATOM 195 HB3 ALA A 14 5.725 3.010 1.421 1.00 0.00 H ATOM 196 HXT ALA A 14 4.123 0.448 -1.806 1.00 0.00 H TER 197 ALA A 14