HETATM 1 C ACE A 1 4.013 2.369 -2.848 1.00 0.00 C HETATM 2 O ACE A 1 5.169 1.947 -2.791 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.844 1.483 -2.432 1.00 0.00 C HETATM 4 H1 ACE A 1 3.191 0.476 -2.139 1.00 0.00 H HETATM 5 H2 ACE A 1 2.312 1.911 -1.563 1.00 0.00 H HETATM 6 H3 ACE A 1 2.113 1.355 -3.252 1.00 0.00 H ATOM 7 N ILE A 2 3.675 3.596 -3.263 1.00 0.00 N ATOM 8 CA ILE A 2 4.672 4.620 -3.711 1.00 0.00 C ATOM 9 C ILE A 2 4.489 5.983 -2.966 1.00 0.00 C ATOM 10 O ILE A 2 5.461 6.486 -2.394 1.00 0.00 O ATOM 11 CB ILE A 2 4.792 4.768 -5.275 1.00 0.00 C ATOM 12 CG1 ILE A 2 3.457 5.045 -6.033 1.00 0.00 C ATOM 13 CG2 ILE A 2 5.542 3.562 -5.896 1.00 0.00 C ATOM 14 CD1 ILE A 2 3.610 5.618 -7.452 1.00 0.00 C ATOM 15 H ILE A 2 2.667 3.783 -3.248 1.00 0.00 H ATOM 16 HA ILE A 2 5.676 4.292 -3.371 1.00 0.00 H ATOM 17 HB ILE A 2 5.449 5.643 -5.450 1.00 0.00 H ATOM 18 HG12 ILE A 2 2.843 4.124 -6.071 1.00 0.00 H ATOM 19 HG13 ILE A 2 2.843 5.765 -5.466 1.00 0.00 H ATOM 20 HG21 ILE A 2 4.959 2.626 -5.813 1.00 0.00 H ATOM 21 HG22 ILE A 2 5.764 3.716 -6.967 1.00 0.00 H ATOM 22 HG23 ILE A 2 6.514 3.384 -5.399 1.00 0.00 H ATOM 23 HD11 ILE A 2 2.623 5.834 -7.900 1.00 0.00 H ATOM 24 HD12 ILE A 2 4.179 6.566 -7.448 1.00 0.00 H ATOM 25 HD13 ILE A 2 4.128 4.917 -8.131 1.00 0.00 H ATOM 26 N TRP A 3 3.279 6.580 -2.964 1.00 0.00 N ATOM 27 CA TRP A 3 3.007 7.884 -2.291 1.00 0.00 C ATOM 28 C TRP A 3 2.741 7.738 -0.761 1.00 0.00 C ATOM 29 O TRP A 3 3.474 8.334 0.033 1.00 0.00 O ATOM 30 CB TRP A 3 1.870 8.656 -3.025 1.00 0.00 C ATOM 31 CG TRP A 3 2.175 9.074 -4.473 1.00 0.00 C ATOM 32 CD1 TRP A 3 1.587 8.532 -5.636 1.00 0.00 C ATOM 33 CD2 TRP A 3 3.085 10.013 -4.922 1.00 0.00 C ATOM 34 NE1 TRP A 3 2.113 9.111 -6.806 1.00 0.00 N ATOM 35 CE2 TRP A 3 3.043 10.026 -6.339 1.00 0.00 C ATOM 36 CE3 TRP A 3 3.977 10.864 -4.221 1.00 0.00 C ATOM 37 CZ2 TRP A 3 3.896 10.891 -7.066 1.00 0.00 C ATOM 38 CZ3 TRP A 3 4.807 11.709 -4.959 1.00 0.00 C ATOM 39 CH2 TRP A 3 4.767 11.723 -6.360 1.00 0.00 C ATOM 40 H TRP A 3 2.562 6.088 -3.507 1.00 0.00 H ATOM 41 HA TRP A 3 3.914 8.515 -2.382 1.00 0.00 H ATOM 42 HB2 TRP A 3 0.933 8.067 -2.998 1.00 0.00 H ATOM 43 HB3 TRP A 3 1.632 9.577 -2.459 1.00 0.00 H ATOM 44 HD1 TRP A 3 0.837 7.754 -5.635 1.00 0.00 H ATOM 45 HE1 TRP A 3 1.873 8.899 -7.781 1.00 0.00 H ATOM 46 HE3 TRP A 3 4.016 10.851 -3.141 1.00 0.00 H ATOM 47 HZ2 TRP A 3 3.876 10.908 -8.146 1.00 0.00 H ATOM 48 HZ3 TRP A 3 5.494 12.362 -4.441 1.00 0.00 H ATOM 49 HH2 TRP A 3 5.423 12.387 -6.903 1.00 0.00 H ATOM 50 N GLY A 4 1.709 6.971 -0.361 1.00 0.00 N ATOM 51 CA GLY A 4 1.364 6.753 1.063 1.00 0.00 C ATOM 52 C GLY A 4 0.978 5.286 1.309 1.00 0.00 C ATOM 53 O GLY A 4 1.842 4.474 1.651 1.00 0.00 O ATOM 54 H GLY A 4 1.182 6.538 -1.126 1.00 0.00 H ATOM 55 HA2 GLY A 4 2.207 7.007 1.735 1.00 0.00 H ATOM 56 HA3 GLY A 4 0.544 7.437 1.355 1.00 0.00 H ATOM 57 N ASP A 5 -0.315 4.957 1.136 1.00 0.00 N ATOM 58 CA ASP A 5 -0.830 3.572 1.333 1.00 0.00 C ATOM 59 C ASP A 5 -0.603 2.667 0.059 1.00 0.00 C ATOM 60 O ASP A 5 -0.276 3.166 -1.025 1.00 0.00 O ATOM 61 CB ASP A 5 -2.330 3.707 1.752 1.00 0.00 C ATOM 62 CG ASP A 5 -3.009 2.414 2.250 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.800 1.808 1.522 1.00 0.00 O ATOM 64 H ASP A 5 -0.920 5.725 0.828 1.00 0.00 H ATOM 65 HA ASP A 5 -0.273 3.157 2.200 1.00 0.00 H ATOM 66 HB2 ASP A 5 -2.443 4.474 2.544 1.00 0.00 H ATOM 67 HB3 ASP A 5 -2.918 4.103 0.902 1.00 0.00 H ATOM 68 N SER A 6 -0.781 1.331 0.180 1.00 0.00 N ATOM 69 CA SER A 6 -0.605 0.379 -0.952 1.00 0.00 C ATOM 70 C SER A 6 -1.734 0.426 -2.032 1.00 0.00 C ATOM 71 O SER A 6 -1.419 0.563 -3.217 1.00 0.00 O ATOM 72 CB SER A 6 -0.396 -1.035 -0.362 1.00 0.00 C ATOM 73 OG SER A 6 -0.019 -1.961 -1.376 1.00 0.00 O ATOM 74 H SER A 6 -1.134 0.981 1.078 1.00 0.00 H ATOM 75 HA SER A 6 0.341 0.636 -1.464 1.00 0.00 H ATOM 76 HB2 SER A 6 0.391 -1.027 0.417 1.00 0.00 H ATOM 77 HB3 SER A 6 -1.316 -1.394 0.136 1.00 0.00 H ATOM 78 HG SER A 6 0.133 -2.799 -0.932 1.00 0.00 H ATOM 79 N GLY A 7 -3.019 0.306 -1.639 1.00 0.00 N ATOM 80 CA GLY A 7 -4.163 0.328 -2.586 1.00 0.00 C ATOM 81 C GLY A 7 -4.533 -1.046 -3.190 1.00 0.00 C ATOM 82 O GLY A 7 -4.549 -1.195 -4.414 1.00 0.00 O ATOM 83 H GLY A 7 -3.159 0.213 -0.627 1.00 0.00 H ATOM 84 HA2 GLY A 7 -5.047 0.732 -2.058 1.00 0.00 H ATOM 85 HA3 GLY A 7 -3.977 1.052 -3.403 1.00 0.00 H ATOM 86 N LYS A 8 -4.838 -2.030 -2.324 1.00 0.00 N ATOM 87 CA LYS A 8 -5.216 -3.410 -2.734 1.00 0.00 C ATOM 88 C LYS A 8 -5.961 -4.085 -1.540 1.00 0.00 C ATOM 89 O LYS A 8 -7.168 -4.322 -1.637 1.00 0.00 O ATOM 90 CB LYS A 8 -3.996 -4.215 -3.284 1.00 0.00 C ATOM 91 CG LYS A 8 -4.350 -5.590 -3.894 1.00 0.00 C ATOM 92 CD LYS A 8 -3.118 -6.329 -4.453 1.00 0.00 C ATOM 93 CE LYS A 8 -3.477 -7.696 -5.062 1.00 0.00 C ATOM 94 NZ LYS A 8 -2.275 -8.373 -5.591 1.00 0.00 N ATOM 95 H LYS A 8 -4.789 -1.753 -1.338 1.00 0.00 H ATOM 96 HA LYS A 8 -5.952 -3.326 -3.560 1.00 0.00 H ATOM 97 HB2 LYS A 8 -3.488 -3.615 -4.064 1.00 0.00 H ATOM 98 HB3 LYS A 8 -3.239 -4.342 -2.487 1.00 0.00 H ATOM 99 HG2 LYS A 8 -4.843 -6.220 -3.128 1.00 0.00 H ATOM 100 HG3 LYS A 8 -5.099 -5.452 -4.697 1.00 0.00 H ATOM 101 HD2 LYS A 8 -2.627 -5.693 -5.216 1.00 0.00 H ATOM 102 HD3 LYS A 8 -2.372 -6.460 -3.644 1.00 0.00 H ATOM 103 HE2 LYS A 8 -3.961 -8.341 -4.302 1.00 0.00 H ATOM 104 HE3 LYS A 8 -4.220 -7.573 -5.874 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -2.495 -9.288 -6.003 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -1.816 -7.819 -6.323 1.00 0.00 H ATOM 107 HZ3 LYS A 8 -1.574 -8.536 -4.859 1.00 0.00 H ATOM 108 N LEU A 9 -5.247 -4.402 -0.437 1.00 0.00 N ATOM 109 CA LEU A 9 -5.833 -5.036 0.773 1.00 0.00 C ATOM 110 C LEU A 9 -5.145 -4.422 2.030 1.00 0.00 C ATOM 111 O LEU A 9 -5.774 -3.620 2.726 1.00 0.00 O ATOM 112 CB LEU A 9 -5.784 -6.592 0.652 1.00 0.00 C ATOM 113 CG LEU A 9 -6.440 -7.409 1.801 1.00 0.00 C ATOM 114 CD1 LEU A 9 -7.968 -7.216 1.882 1.00 0.00 C ATOM 115 CD2 LEU A 9 -6.113 -8.907 1.653 1.00 0.00 C ATOM 116 H LEU A 9 -4.256 -4.143 -0.485 1.00 0.00 H ATOM 117 HA LEU A 9 -6.901 -4.747 0.840 1.00 0.00 H ATOM 118 HB2 LEU A 9 -6.253 -6.895 -0.305 1.00 0.00 H ATOM 119 HB3 LEU A 9 -4.725 -6.901 0.550 1.00 0.00 H ATOM 120 HG LEU A 9 -6.004 -7.076 2.762 1.00 0.00 H ATOM 121 HD11 LEU A 9 -8.475 -7.508 0.944 1.00 0.00 H ATOM 122 HD12 LEU A 9 -8.413 -7.817 2.697 1.00 0.00 H ATOM 123 HD13 LEU A 9 -8.240 -6.164 2.088 1.00 0.00 H ATOM 124 HD21 LEU A 9 -6.516 -9.331 0.714 1.00 0.00 H ATOM 125 HD22 LEU A 9 -5.022 -9.088 1.652 1.00 0.00 H ATOM 126 HD23 LEU A 9 -6.530 -9.501 2.487 1.00 0.00 H ATOM 127 N ILE A 10 -3.873 -4.778 2.315 1.00 0.00 N ATOM 128 CA ILE A 10 -3.111 -4.253 3.484 1.00 0.00 C ATOM 129 C ILE A 10 -2.345 -2.953 3.078 1.00 0.00 C ATOM 130 O ILE A 10 -1.466 -2.980 2.209 1.00 0.00 O ATOM 131 CB ILE A 10 -2.216 -5.379 4.125 1.00 0.00 C ATOM 132 CG1 ILE A 10 -1.539 -4.981 5.470 1.00 0.00 C ATOM 133 CG2 ILE A 10 -1.131 -5.973 3.186 1.00 0.00 C ATOM 134 CD1 ILE A 10 -2.492 -4.672 6.636 1.00 0.00 C ATOM 135 H ILE A 10 -3.461 -5.454 1.663 1.00 0.00 H ATOM 136 HA ILE A 10 -3.851 -3.997 4.269 1.00 0.00 H ATOM 137 HB ILE A 10 -2.894 -6.223 4.364 1.00 0.00 H ATOM 138 HG12 ILE A 10 -0.876 -5.801 5.807 1.00 0.00 H ATOM 139 HG13 ILE A 10 -0.862 -4.119 5.315 1.00 0.00 H ATOM 140 HG21 ILE A 10 -1.559 -6.333 2.233 1.00 0.00 H ATOM 141 HG22 ILE A 10 -0.347 -5.235 2.934 1.00 0.00 H ATOM 142 HG23 ILE A 10 -0.622 -6.841 3.646 1.00 0.00 H ATOM 143 HD11 ILE A 10 -3.175 -5.517 6.840 1.00 0.00 H ATOM 144 HD12 ILE A 10 -1.928 -4.479 7.568 1.00 0.00 H ATOM 145 HD13 ILE A 10 -3.111 -3.777 6.445 1.00 0.00 H HETATM 146 N SET A 11 -2.679 -1.822 3.727 1.00 0.00 N HETATM 147 CA SET A 11 -2.025 -0.504 3.457 1.00 0.00 C HETATM 148 CB SET A 11 -0.586 -0.288 4.043 1.00 0.00 C HETATM 149 OG SET A 11 0.027 0.727 3.701 1.00 0.00 O HETATM 150 NT SET A 11 -2.650 1.990 3.469 1.00 0.00 N HETATM 151 C SET A 11 -2.982 0.617 3.964 1.00 0.00 C HETATM 152 H SET A 11 -3.466 -1.913 4.378 1.00 0.00 H HETATM 153 HA SET A 11 -1.942 -0.393 2.358 1.00 0.00 H HETATM 154 HB2 SET A 11 -4.028 0.360 3.699 1.00 0.00 H HETATM 155 HB3 SET A 11 -2.974 0.606 5.072 1.00 0.00 H HETATM 156 HNT2 SET A 11 -1.973 2.628 3.921 1.00 0.00 H ATOM 157 N THR A 12 -0.046 -1.200 4.882 1.00 0.00 N ATOM 158 CA THR A 12 1.303 -1.067 5.507 1.00 0.00 C ATOM 159 C THR A 12 2.449 -1.084 4.443 1.00 0.00 C ATOM 160 O THR A 12 2.958 -2.138 4.050 1.00 0.00 O ATOM 161 CB THR A 12 1.468 -2.151 6.621 1.00 0.00 C ATOM 162 OG1 THR A 12 0.409 -2.059 7.572 1.00 0.00 O ATOM 163 CG2 THR A 12 2.776 -2.045 7.427 1.00 0.00 C ATOM 164 H THR A 12 -0.657 -2.005 5.057 1.00 0.00 H ATOM 165 HA THR A 12 1.320 -0.095 6.042 1.00 0.00 H ATOM 166 HB THR A 12 1.431 -3.157 6.159 1.00 0.00 H ATOM 167 HG1 THR A 12 -0.408 -2.100 7.071 1.00 0.00 H ATOM 168 HG21 THR A 12 3.669 -2.181 6.790 1.00 0.00 H ATOM 169 HG22 THR A 12 2.872 -1.062 7.926 1.00 0.00 H ATOM 170 HG23 THR A 12 2.825 -2.818 8.216 1.00 0.00 H ATOM 171 N THR A 13 2.834 0.129 4.010 1.00 0.00 N ATOM 172 CA THR A 13 3.906 0.344 3.000 1.00 0.00 C ATOM 173 C THR A 13 5.233 0.641 3.765 1.00 0.00 C ATOM 174 O THR A 13 5.625 1.796 3.963 1.00 0.00 O ATOM 175 CB THR A 13 3.457 1.464 2.010 1.00 0.00 C ATOM 176 OG1 THR A 13 2.226 1.107 1.385 1.00 0.00 O ATOM 177 CG2 THR A 13 4.455 1.754 0.876 1.00 0.00 C ATOM 178 H THR A 13 2.162 0.863 4.265 1.00 0.00 H ATOM 179 HA THR A 13 4.042 -0.571 2.387 1.00 0.00 H ATOM 180 HB THR A 13 3.298 2.406 2.571 1.00 0.00 H ATOM 181 HG1 THR A 13 1.602 0.948 2.098 1.00 0.00 H ATOM 182 HG21 THR A 13 4.084 2.563 0.219 1.00 0.00 H ATOM 183 HG22 THR A 13 5.438 2.083 1.259 1.00 0.00 H ATOM 184 HG23 THR A 13 4.625 0.866 0.239 1.00 0.00 H ATOM 185 N ALA A 14 5.914 -0.439 4.187 1.00 0.00 N ATOM 186 CA ALA A 14 7.191 -0.352 4.936 1.00 0.00 C ATOM 187 C ALA A 14 8.393 -0.326 3.962 1.00 0.00 C ATOM 188 O ALA A 14 9.034 -1.321 3.622 1.00 0.00 O ATOM 189 CB ALA A 14 7.244 -1.520 5.938 1.00 0.00 C ATOM 190 OXT ALA A 14 8.655 0.942 3.508 1.00 0.00 O ATOM 191 H ALA A 14 5.386 -1.312 4.084 1.00 0.00 H ATOM 192 HA ALA A 14 7.217 0.577 5.539 1.00 0.00 H ATOM 193 HB1 ALA A 14 7.220 -2.507 5.438 1.00 0.00 H ATOM 194 HB2 ALA A 14 8.168 -1.489 6.545 1.00 0.00 H ATOM 195 HB3 ALA A 14 6.397 -1.491 6.650 1.00 0.00 H ATOM 196 HXT ALA A 14 8.025 1.582 3.849 1.00 0.00 H TER 197 ALA A 14