HETATM 1 C ACE A 1 3.689 -12.128 2.456 1.00 0.00 C HETATM 2 O ACE A 1 4.803 -12.610 2.237 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.958 -12.433 3.760 1.00 0.00 C HETATM 4 H1 ACE A 1 2.750 -11.511 4.334 1.00 0.00 H HETATM 5 H2 ACE A 1 1.996 -12.946 3.575 1.00 0.00 H HETATM 6 H3 ACE A 1 3.562 -13.093 4.409 1.00 0.00 H ATOM 7 N ILE A 2 3.033 -11.329 1.605 1.00 0.00 N ATOM 8 CA ILE A 2 3.581 -10.912 0.275 1.00 0.00 C ATOM 9 C ILE A 2 3.510 -9.361 0.086 1.00 0.00 C ATOM 10 O ILE A 2 4.551 -8.741 -0.151 1.00 0.00 O ATOM 11 CB ILE A 2 3.028 -11.739 -0.948 1.00 0.00 C ATOM 12 CG1 ILE A 2 1.474 -11.812 -1.067 1.00 0.00 C ATOM 13 CG2 ILE A 2 3.655 -13.156 -0.991 1.00 0.00 C ATOM 14 CD1 ILE A 2 0.934 -12.278 -2.430 1.00 0.00 C ATOM 15 H ILE A 2 2.120 -11.008 1.944 1.00 0.00 H ATOM 16 HA ILE A 2 4.674 -11.102 0.283 1.00 0.00 H ATOM 17 HB ILE A 2 3.397 -11.226 -1.858 1.00 0.00 H ATOM 18 HG12 ILE A 2 1.062 -12.460 -0.270 1.00 0.00 H ATOM 19 HG13 ILE A 2 1.034 -10.818 -0.876 1.00 0.00 H ATOM 20 HG21 ILE A 2 3.319 -13.784 -0.145 1.00 0.00 H ATOM 21 HG22 ILE A 2 3.402 -13.697 -1.920 1.00 0.00 H ATOM 22 HG23 ILE A 2 4.760 -13.117 -0.947 1.00 0.00 H ATOM 23 HD11 ILE A 2 -0.171 -12.242 -2.452 1.00 0.00 H ATOM 24 HD12 ILE A 2 1.298 -11.637 -3.254 1.00 0.00 H ATOM 25 HD13 ILE A 2 1.226 -13.318 -2.660 1.00 0.00 H ATOM 26 N TRP A 3 2.319 -8.733 0.187 1.00 0.00 N ATOM 27 CA TRP A 3 2.150 -7.263 0.025 1.00 0.00 C ATOM 28 C TRP A 3 2.478 -6.469 1.327 1.00 0.00 C ATOM 29 O TRP A 3 3.433 -5.687 1.320 1.00 0.00 O ATOM 30 CB TRP A 3 0.740 -6.985 -0.587 1.00 0.00 C ATOM 31 CG TRP A 3 0.283 -5.515 -0.699 1.00 0.00 C ATOM 32 CD1 TRP A 3 -0.923 -5.008 -0.163 1.00 0.00 C ATOM 33 CD2 TRP A 3 0.908 -4.422 -1.289 1.00 0.00 C ATOM 34 NE1 TRP A 3 -1.061 -3.629 -0.392 1.00 0.00 N ATOM 35 CE2 TRP A 3 0.080 -3.287 -1.091 1.00 0.00 C ATOM 36 CE3 TRP A 3 2.136 -4.295 -1.989 1.00 0.00 C ATOM 37 CZ2 TRP A 3 0.468 -2.025 -1.593 1.00 0.00 C ATOM 38 CZ3 TRP A 3 2.503 -3.037 -2.469 1.00 0.00 C ATOM 39 CH2 TRP A 3 1.681 -1.920 -2.275 1.00 0.00 C ATOM 40 H TRP A 3 1.524 -9.354 0.373 1.00 0.00 H ATOM 41 HA TRP A 3 2.876 -6.919 -0.738 1.00 0.00 H ATOM 42 HB2 TRP A 3 0.691 -7.434 -1.597 1.00 0.00 H ATOM 43 HB3 TRP A 3 -0.022 -7.539 -0.004 1.00 0.00 H ATOM 44 HD1 TRP A 3 -1.665 -5.599 0.354 1.00 0.00 H ATOM 45 HE1 TRP A 3 -1.837 -3.017 -0.115 1.00 0.00 H ATOM 46 HE3 TRP A 3 2.778 -5.146 -2.158 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -0.163 -1.160 -1.454 1.00 0.00 H ATOM 48 HZ3 TRP A 3 3.435 -2.923 -3.003 1.00 0.00 H ATOM 49 HH2 TRP A 3 1.990 -0.961 -2.664 1.00 0.00 H ATOM 50 N GLY A 4 1.691 -6.639 2.411 1.00 0.00 N ATOM 51 CA GLY A 4 1.905 -5.894 3.675 1.00 0.00 C ATOM 52 C GLY A 4 1.244 -4.502 3.604 1.00 0.00 C ATOM 53 O GLY A 4 0.058 -4.359 3.913 1.00 0.00 O ATOM 54 H GLY A 4 0.996 -7.389 2.327 1.00 0.00 H ATOM 55 HA2 GLY A 4 1.450 -6.465 4.505 1.00 0.00 H ATOM 56 HA3 GLY A 4 2.982 -5.829 3.929 1.00 0.00 H ATOM 57 N ASP A 5 2.032 -3.489 3.200 1.00 0.00 N ATOM 58 CA ASP A 5 1.552 -2.089 3.043 1.00 0.00 C ATOM 59 C ASP A 5 2.450 -1.326 1.995 1.00 0.00 C ATOM 60 O ASP A 5 3.592 -1.721 1.728 1.00 0.00 O ATOM 61 CB ASP A 5 1.511 -1.370 4.434 1.00 0.00 C ATOM 62 CG ASP A 5 0.804 0.001 4.437 1.00 0.00 C ATOM 63 OD1 ASP A 5 1.464 1.043 4.437 1.00 0.00 O ATOM 64 H ASP A 5 2.980 -3.768 2.923 1.00 0.00 H ATOM 65 HA ASP A 5 0.514 -2.179 2.655 1.00 0.00 H ATOM 66 HB2 ASP A 5 1.020 -2.017 5.187 1.00 0.00 H ATOM 67 HB3 ASP A 5 2.542 -1.238 4.814 1.00 0.00 H ATOM 68 N SER A 6 1.956 -0.207 1.412 1.00 0.00 N ATOM 69 CA SER A 6 2.722 0.604 0.426 1.00 0.00 C ATOM 70 C SER A 6 3.852 1.497 1.033 1.00 0.00 C ATOM 71 O SER A 6 4.981 1.450 0.536 1.00 0.00 O ATOM 72 CB SER A 6 1.706 1.454 -0.374 1.00 0.00 C ATOM 73 OG SER A 6 2.331 2.091 -1.484 1.00 0.00 O ATOM 74 H SER A 6 1.027 0.117 1.700 1.00 0.00 H ATOM 75 HA SER A 6 3.195 -0.091 -0.295 1.00 0.00 H ATOM 76 HB2 SER A 6 0.871 0.832 -0.746 1.00 0.00 H ATOM 77 HB3 SER A 6 1.235 2.224 0.267 1.00 0.00 H ATOM 78 HG SER A 6 2.733 1.394 -2.008 1.00 0.00 H ATOM 79 N GLY A 7 3.556 2.307 2.072 1.00 0.00 N ATOM 80 CA GLY A 7 4.544 3.218 2.703 1.00 0.00 C ATOM 81 C GLY A 7 4.651 4.606 2.027 1.00 0.00 C ATOM 82 O GLY A 7 5.754 5.030 1.673 1.00 0.00 O ATOM 83 H GLY A 7 2.592 2.248 2.413 1.00 0.00 H ATOM 84 HA2 GLY A 7 4.264 3.361 3.763 1.00 0.00 H ATOM 85 HA3 GLY A 7 5.544 2.743 2.741 1.00 0.00 H ATOM 86 N LYS A 8 3.509 5.302 1.862 1.00 0.00 N ATOM 87 CA LYS A 8 3.440 6.645 1.224 1.00 0.00 C ATOM 88 C LYS A 8 2.111 7.339 1.657 1.00 0.00 C ATOM 89 O LYS A 8 2.164 8.329 2.392 1.00 0.00 O ATOM 90 CB LYS A 8 3.655 6.566 -0.321 1.00 0.00 C ATOM 91 CG LYS A 8 3.785 7.934 -1.027 1.00 0.00 C ATOM 92 CD LYS A 8 4.033 7.801 -2.543 1.00 0.00 C ATOM 93 CE LYS A 8 4.166 9.167 -3.240 1.00 0.00 C ATOM 94 NZ LYS A 8 4.408 9.002 -4.688 1.00 0.00 N ATOM 95 H LYS A 8 2.671 4.824 2.209 1.00 0.00 H ATOM 96 HA LYS A 8 4.266 7.256 1.639 1.00 0.00 H ATOM 97 HB2 LYS A 8 4.574 5.984 -0.530 1.00 0.00 H ATOM 98 HB3 LYS A 8 2.838 5.980 -0.785 1.00 0.00 H ATOM 99 HG2 LYS A 8 2.869 8.531 -0.853 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.610 8.508 -0.563 1.00 0.00 H ATOM 101 HD2 LYS A 8 4.949 7.201 -2.712 1.00 0.00 H ATOM 102 HD3 LYS A 8 3.205 7.223 -2.999 1.00 0.00 H ATOM 103 HE2 LYS A 8 3.249 9.770 -3.084 1.00 0.00 H ATOM 104 HE3 LYS A 8 4.994 9.750 -2.791 1.00 0.00 H ATOM 105 HZ1 LYS A 8 4.500 9.904 -5.171 1.00 0.00 H ATOM 106 HZ2 LYS A 8 5.269 8.475 -4.874 1.00 0.00 H ATOM 107 HZ3 LYS A 8 3.644 8.493 -5.148 1.00 0.00 H ATOM 108 N LEU A 9 0.939 6.842 1.199 1.00 0.00 N ATOM 109 CA LEU A 9 -0.389 7.418 1.545 1.00 0.00 C ATOM 110 C LEU A 9 -1.421 6.265 1.737 1.00 0.00 C ATOM 111 O LEU A 9 -1.781 5.971 2.880 1.00 0.00 O ATOM 112 CB LEU A 9 -0.782 8.522 0.511 1.00 0.00 C ATOM 113 CG LEU A 9 -2.100 9.302 0.778 1.00 0.00 C ATOM 114 CD1 LEU A 9 -2.042 10.168 2.053 1.00 0.00 C ATOM 115 CD2 LEU A 9 -2.459 10.184 -0.434 1.00 0.00 C ATOM 116 H LEU A 9 1.031 6.013 0.602 1.00 0.00 H ATOM 117 HA LEU A 9 -0.309 7.915 2.532 1.00 0.00 H ATOM 118 HB2 LEU A 9 0.046 9.253 0.430 1.00 0.00 H ATOM 119 HB3 LEU A 9 -0.837 8.056 -0.492 1.00 0.00 H ATOM 120 HG LEU A 9 -2.923 8.572 0.901 1.00 0.00 H ATOM 121 HD11 LEU A 9 -1.225 10.912 2.014 1.00 0.00 H ATOM 122 HD12 LEU A 9 -2.985 10.724 2.213 1.00 0.00 H ATOM 123 HD13 LEU A 9 -1.885 9.555 2.959 1.00 0.00 H ATOM 124 HD21 LEU A 9 -3.419 10.712 -0.285 1.00 0.00 H ATOM 125 HD22 LEU A 9 -1.689 10.953 -0.632 1.00 0.00 H ATOM 126 HD23 LEU A 9 -2.569 9.584 -1.356 1.00 0.00 H ATOM 127 N ILE A 10 -1.887 5.613 0.647 1.00 0.00 N ATOM 128 CA ILE A 10 -2.881 4.501 0.715 1.00 0.00 C ATOM 129 C ILE A 10 -2.106 3.149 0.860 1.00 0.00 C ATOM 130 O ILE A 10 -1.442 2.687 -0.073 1.00 0.00 O ATOM 131 CB ILE A 10 -3.905 4.635 -0.471 1.00 0.00 C ATOM 132 CG1 ILE A 10 -5.277 3.946 -0.223 1.00 0.00 C ATOM 133 CG2 ILE A 10 -3.351 4.344 -1.889 1.00 0.00 C ATOM 134 CD1 ILE A 10 -5.329 2.411 -0.239 1.00 0.00 C ATOM 135 H ILE A 10 -1.513 5.948 -0.247 1.00 0.00 H ATOM 136 HA ILE A 10 -3.493 4.656 1.629 1.00 0.00 H ATOM 137 HB ILE A 10 -4.180 5.709 -0.503 1.00 0.00 H ATOM 138 HG12 ILE A 10 -5.691 4.298 0.741 1.00 0.00 H ATOM 139 HG13 ILE A 10 -5.999 4.314 -0.977 1.00 0.00 H ATOM 140 HG21 ILE A 10 -3.060 3.286 -2.011 1.00 0.00 H ATOM 141 HG22 ILE A 10 -4.096 4.568 -2.675 1.00 0.00 H ATOM 142 HG23 ILE A 10 -2.456 4.953 -2.113 1.00 0.00 H ATOM 143 HD11 ILE A 10 -4.701 1.961 0.548 1.00 0.00 H ATOM 144 HD12 ILE A 10 -6.362 2.049 -0.079 1.00 0.00 H ATOM 145 HD13 ILE A 10 -4.996 2.004 -1.209 1.00 0.00 H HETATM 146 N SET A 11 -2.198 2.529 2.053 1.00 0.00 N HETATM 147 CA SET A 11 -1.493 1.255 2.370 1.00 0.00 C HETATM 148 CB SET A 11 -2.082 -0.040 1.723 1.00 0.00 C HETATM 149 OG SET A 11 -1.355 -0.724 0.999 1.00 0.00 O HETATM 150 NT SET A 11 -0.532 -0.031 4.357 1.00 0.00 N HETATM 151 C SET A 11 -1.328 1.156 3.920 1.00 0.00 C HETATM 152 H SET A 11 -2.755 3.032 2.753 1.00 0.00 H HETATM 153 HA SET A 11 -0.463 1.356 1.973 1.00 0.00 H HETATM 154 HB2 SET A 11 -0.881 2.098 4.308 1.00 0.00 H HETATM 155 HB3 SET A 11 -2.326 1.127 4.399 1.00 0.00 H HETATM 156 HNT2 SET A 11 -0.901 -0.996 4.367 1.00 0.00 H ATOM 157 N THR A 12 -3.360 -0.375 1.987 1.00 0.00 N ATOM 158 CA THR A 12 -4.013 -1.619 1.472 1.00 0.00 C ATOM 159 C THR A 12 -4.096 -1.922 -0.060 1.00 0.00 C ATOM 160 O THR A 12 -4.284 -3.090 -0.415 1.00 0.00 O ATOM 161 CB THR A 12 -5.377 -1.809 2.208 1.00 0.00 C ATOM 162 OG1 THR A 12 -5.837 -3.147 2.043 1.00 0.00 O ATOM 163 CG2 THR A 12 -6.514 -0.861 1.778 1.00 0.00 C ATOM 164 H THR A 12 -3.817 0.221 2.685 1.00 0.00 H ATOM 165 HA THR A 12 -3.364 -2.431 1.838 1.00 0.00 H ATOM 166 HB THR A 12 -5.220 -1.665 3.296 1.00 0.00 H ATOM 167 HG1 THR A 12 -5.908 -3.289 1.095 1.00 0.00 H ATOM 168 HG21 THR A 12 -6.243 0.199 1.929 1.00 0.00 H ATOM 169 HG22 THR A 12 -6.776 -0.987 0.711 1.00 0.00 H ATOM 170 HG23 THR A 12 -7.434 -1.048 2.363 1.00 0.00 H ATOM 171 N THR A 13 -3.970 -0.922 -0.946 1.00 0.00 N ATOM 172 CA THR A 13 -4.036 -1.137 -2.422 1.00 0.00 C ATOM 173 C THR A 13 -3.279 0.002 -3.167 1.00 0.00 C ATOM 174 O THR A 13 -3.768 1.132 -3.257 1.00 0.00 O ATOM 175 CB THR A 13 -5.490 -1.391 -2.945 1.00 0.00 C ATOM 176 OG1 THR A 13 -5.455 -1.676 -4.339 1.00 0.00 O ATOM 177 CG2 THR A 13 -6.538 -0.286 -2.715 1.00 0.00 C ATOM 178 H THR A 13 -3.678 -0.048 -0.498 1.00 0.00 H ATOM 179 HA THR A 13 -3.496 -2.084 -2.636 1.00 0.00 H ATOM 180 HB THR A 13 -5.871 -2.301 -2.443 1.00 0.00 H ATOM 181 HG1 THR A 13 -5.257 -0.843 -4.775 1.00 0.00 H ATOM 182 HG21 THR A 13 -7.534 -0.600 -3.078 1.00 0.00 H ATOM 183 HG22 THR A 13 -6.648 -0.045 -1.642 1.00 0.00 H ATOM 184 HG23 THR A 13 -6.283 0.652 -3.241 1.00 0.00 H ATOM 185 N ALA A 14 -2.087 -0.307 -3.711 1.00 0.00 N ATOM 186 CA ALA A 14 -1.262 0.671 -4.463 1.00 0.00 C ATOM 187 C ALA A 14 -0.425 -0.092 -5.511 1.00 0.00 C ATOM 188 O ALA A 14 0.510 -0.845 -5.233 1.00 0.00 O ATOM 189 CB ALA A 14 -0.370 1.495 -3.517 1.00 0.00 C ATOM 190 OXT ALA A 14 -0.843 0.160 -6.791 1.00 0.00 O ATOM 191 H ALA A 14 -1.777 -1.273 -3.555 1.00 0.00 H ATOM 192 HA ALA A 14 -1.923 1.381 -5.001 1.00 0.00 H ATOM 193 HB1 ALA A 14 0.213 2.257 -4.067 1.00 0.00 H ATOM 194 HB2 ALA A 14 -0.963 2.035 -2.756 1.00 0.00 H ATOM 195 HB3 ALA A 14 0.354 0.859 -2.979 1.00 0.00 H ATOM 196 HXT ALA A 14 -0.316 -0.325 -7.430 1.00 0.00 H TER 197 ALA A 14