HETATM 1 C ACE A 1 -5.073 1.921 -4.988 1.00 0.00 C HETATM 2 O ACE A 1 -6.193 2.332 -5.294 1.00 0.00 O HETATM 3 CH3 ACE A 1 -4.375 2.457 -3.744 1.00 0.00 C HETATM 4 H1 ACE A 1 -3.723 3.311 -4.001 1.00 0.00 H HETATM 5 H2 ACE A 1 -5.112 2.819 -3.004 1.00 0.00 H HETATM 6 H3 ACE A 1 -3.755 1.694 -3.236 1.00 0.00 H ATOM 7 N ILE A 2 -4.389 1.013 -5.700 1.00 0.00 N ATOM 8 CA ILE A 2 -4.929 0.375 -6.944 1.00 0.00 C ATOM 9 C ILE A 2 -5.880 -0.816 -6.598 1.00 0.00 C ATOM 10 O ILE A 2 -7.068 -0.763 -6.930 1.00 0.00 O ATOM 11 CB ILE A 2 -3.828 0.062 -8.026 1.00 0.00 C ATOM 12 CG1 ILE A 2 -2.604 -0.776 -7.542 1.00 0.00 C ATOM 13 CG2 ILE A 2 -3.358 1.365 -8.724 1.00 0.00 C ATOM 14 CD1 ILE A 2 -1.774 -1.434 -8.657 1.00 0.00 C ATOM 15 H ILE A 2 -3.522 0.692 -5.256 1.00 0.00 H ATOM 16 HA ILE A 2 -5.601 1.112 -7.430 1.00 0.00 H ATOM 17 HB ILE A 2 -4.335 -0.531 -8.813 1.00 0.00 H ATOM 18 HG12 ILE A 2 -1.941 -0.153 -6.911 1.00 0.00 H ATOM 19 HG13 ILE A 2 -2.933 -1.591 -6.876 1.00 0.00 H ATOM 20 HG21 ILE A 2 -4.208 1.943 -9.131 1.00 0.00 H ATOM 21 HG22 ILE A 2 -2.813 2.032 -8.029 1.00 0.00 H ATOM 22 HG23 ILE A 2 -2.685 1.162 -9.577 1.00 0.00 H ATOM 23 HD11 ILE A 2 -2.391 -2.107 -9.281 1.00 0.00 H ATOM 24 HD12 ILE A 2 -1.305 -0.690 -9.325 1.00 0.00 H ATOM 25 HD13 ILE A 2 -0.958 -2.046 -8.233 1.00 0.00 H ATOM 26 N TRP A 3 -5.372 -1.862 -5.922 1.00 0.00 N ATOM 27 CA TRP A 3 -6.177 -3.048 -5.503 1.00 0.00 C ATOM 28 C TRP A 3 -7.055 -2.760 -4.239 1.00 0.00 C ATOM 29 O TRP A 3 -8.260 -3.023 -4.250 1.00 0.00 O ATOM 30 CB TRP A 3 -5.257 -4.285 -5.275 1.00 0.00 C ATOM 31 CG TRP A 3 -4.366 -4.704 -6.456 1.00 0.00 C ATOM 32 CD1 TRP A 3 -4.824 -5.047 -7.742 1.00 0.00 C ATOM 33 CD2 TRP A 3 -2.985 -4.751 -6.528 1.00 0.00 C ATOM 34 NE1 TRP A 3 -3.761 -5.315 -8.624 1.00 0.00 N ATOM 35 CE2 TRP A 3 -2.628 -5.123 -7.849 1.00 0.00 C ATOM 36 CE3 TRP A 3 -1.981 -4.475 -5.563 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -1.264 -5.225 -8.213 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -0.643 -4.590 -5.945 1.00 0.00 C ATOM 39 CH2 TRP A 3 -0.290 -4.956 -7.249 1.00 0.00 C ATOM 40 H TRP A 3 -4.350 -1.840 -5.836 1.00 0.00 H ATOM 41 HA TRP A 3 -6.871 -3.310 -6.327 1.00 0.00 H ATOM 42 HB2 TRP A 3 -4.623 -4.117 -4.383 1.00 0.00 H ATOM 43 HB3 TRP A 3 -5.884 -5.155 -5.003 1.00 0.00 H ATOM 44 HD1 TRP A 3 -5.868 -5.043 -8.016 1.00 0.00 H ATOM 45 HE1 TRP A 3 -3.810 -5.563 -9.618 1.00 0.00 H ATOM 46 HE3 TRP A 3 -2.237 -4.184 -4.555 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -0.979 -5.500 -9.219 1.00 0.00 H ATOM 48 HZ3 TRP A 3 0.133 -4.389 -5.221 1.00 0.00 H ATOM 49 HH2 TRP A 3 0.755 -5.030 -7.515 1.00 0.00 H ATOM 50 N GLY A 4 -6.435 -2.235 -3.168 1.00 0.00 N ATOM 51 CA GLY A 4 -7.120 -1.896 -1.904 1.00 0.00 C ATOM 52 C GLY A 4 -6.135 -1.106 -1.028 1.00 0.00 C ATOM 53 O GLY A 4 -6.105 0.127 -1.087 1.00 0.00 O ATOM 54 H GLY A 4 -5.442 -2.034 -3.329 1.00 0.00 H ATOM 55 HA2 GLY A 4 -8.017 -1.277 -2.102 1.00 0.00 H ATOM 56 HA3 GLY A 4 -7.480 -2.812 -1.396 1.00 0.00 H ATOM 57 N ASP A 5 -5.336 -1.827 -0.220 1.00 0.00 N ATOM 58 CA ASP A 5 -4.301 -1.220 0.662 1.00 0.00 C ATOM 59 C ASP A 5 -3.104 -2.230 0.836 1.00 0.00 C ATOM 60 O ASP A 5 -3.277 -3.448 0.700 1.00 0.00 O ATOM 61 CB ASP A 5 -4.925 -0.785 2.026 1.00 0.00 C ATOM 62 CG ASP A 5 -4.005 0.077 2.914 1.00 0.00 C ATOM 63 OD1 ASP A 5 -3.396 -0.434 3.858 1.00 0.00 O ATOM 64 H ASP A 5 -5.460 -2.843 -0.285 1.00 0.00 H ATOM 65 HA ASP A 5 -3.956 -0.309 0.128 1.00 0.00 H ATOM 66 HB2 ASP A 5 -5.866 -0.229 1.853 1.00 0.00 H ATOM 67 HB3 ASP A 5 -5.228 -1.682 2.597 1.00 0.00 H ATOM 68 N SER A 6 -1.885 -1.744 1.170 1.00 0.00 N ATOM 69 CA SER A 6 -0.689 -2.614 1.367 1.00 0.00 C ATOM 70 C SER A 6 -0.685 -3.430 2.700 1.00 0.00 C ATOM 71 O SER A 6 -0.485 -4.647 2.653 1.00 0.00 O ATOM 72 CB SER A 6 0.597 -1.763 1.237 1.00 0.00 C ATOM 73 OG SER A 6 0.681 -1.115 -0.028 1.00 0.00 O ATOM 74 H SER A 6 -1.803 -0.740 1.364 1.00 0.00 H ATOM 75 HA SER A 6 -0.659 -3.348 0.537 1.00 0.00 H ATOM 76 HB2 SER A 6 0.651 -1.003 2.039 1.00 0.00 H ATOM 77 HB3 SER A 6 1.494 -2.398 1.367 1.00 0.00 H ATOM 78 HG SER A 6 0.700 -1.810 -0.690 1.00 0.00 H ATOM 79 N GLY A 7 -0.883 -2.780 3.867 1.00 0.00 N ATOM 80 CA GLY A 7 -0.885 -3.459 5.187 1.00 0.00 C ATOM 81 C GLY A 7 0.497 -3.548 5.874 1.00 0.00 C ATOM 82 O GLY A 7 0.937 -4.646 6.224 1.00 0.00 O ATOM 83 H GLY A 7 -1.048 -1.772 3.786 1.00 0.00 H ATOM 84 HA2 GLY A 7 -1.576 -2.916 5.858 1.00 0.00 H ATOM 85 HA3 GLY A 7 -1.323 -4.473 5.105 1.00 0.00 H ATOM 86 N LYS A 8 1.163 -2.394 6.071 1.00 0.00 N ATOM 87 CA LYS A 8 2.501 -2.309 6.719 1.00 0.00 C ATOM 88 C LYS A 8 2.694 -0.844 7.220 1.00 0.00 C ATOM 89 O LYS A 8 2.604 -0.605 8.428 1.00 0.00 O ATOM 90 CB LYS A 8 3.637 -2.857 5.798 1.00 0.00 C ATOM 91 CG LYS A 8 5.023 -2.957 6.473 1.00 0.00 C ATOM 92 CD LYS A 8 6.106 -3.523 5.533 1.00 0.00 C ATOM 93 CE LYS A 8 7.485 -3.610 6.211 1.00 0.00 C ATOM 94 NZ LYS A 8 8.498 -4.158 5.285 1.00 0.00 N ATOM 95 H LYS A 8 0.670 -1.560 5.735 1.00 0.00 H ATOM 96 HA LYS A 8 2.477 -2.950 7.623 1.00 0.00 H ATOM 97 HB2 LYS A 8 3.357 -3.867 5.438 1.00 0.00 H ATOM 98 HB3 LYS A 8 3.709 -2.241 4.882 1.00 0.00 H ATOM 99 HG2 LYS A 8 5.334 -1.958 6.832 1.00 0.00 H ATOM 100 HG3 LYS A 8 4.945 -3.590 7.378 1.00 0.00 H ATOM 101 HD2 LYS A 8 5.795 -4.526 5.180 1.00 0.00 H ATOM 102 HD3 LYS A 8 6.170 -2.890 4.627 1.00 0.00 H ATOM 103 HE2 LYS A 8 7.807 -2.608 6.560 1.00 0.00 H ATOM 104 HE3 LYS A 8 7.431 -4.245 7.117 1.00 0.00 H ATOM 105 HZ1 LYS A 8 9.426 -4.224 5.719 1.00 0.00 H ATOM 106 HZ2 LYS A 8 8.250 -5.101 4.964 1.00 0.00 H ATOM 107 HZ3 LYS A 8 8.601 -3.577 4.444 1.00 0.00 H ATOM 108 N LEU A 9 2.966 0.117 6.310 1.00 0.00 N ATOM 109 CA LEU A 9 3.165 1.553 6.653 1.00 0.00 C ATOM 110 C LEU A 9 2.346 2.422 5.651 1.00 0.00 C ATOM 111 O LEU A 9 1.321 2.987 6.047 1.00 0.00 O ATOM 112 CB LEU A 9 4.677 1.938 6.732 1.00 0.00 C ATOM 113 CG LEU A 9 5.516 1.329 7.891 1.00 0.00 C ATOM 114 CD1 LEU A 9 7.018 1.592 7.669 1.00 0.00 C ATOM 115 CD2 LEU A 9 5.096 1.854 9.279 1.00 0.00 C ATOM 116 H LEU A 9 3.003 -0.216 5.341 1.00 0.00 H ATOM 117 HA LEU A 9 2.723 1.764 7.647 1.00 0.00 H ATOM 118 HB2 LEU A 9 5.152 1.673 5.766 1.00 0.00 H ATOM 119 HB3 LEU A 9 4.763 3.041 6.786 1.00 0.00 H ATOM 120 HG LEU A 9 5.377 0.232 7.889 1.00 0.00 H ATOM 121 HD11 LEU A 9 7.255 2.673 7.661 1.00 0.00 H ATOM 122 HD12 LEU A 9 7.636 1.128 8.460 1.00 0.00 H ATOM 123 HD13 LEU A 9 7.368 1.173 6.708 1.00 0.00 H ATOM 124 HD21 LEU A 9 5.712 1.414 10.086 1.00 0.00 H ATOM 125 HD22 LEU A 9 5.192 2.953 9.355 1.00 0.00 H ATOM 126 HD23 LEU A 9 4.047 1.598 9.516 1.00 0.00 H ATOM 127 N ILE A 10 2.772 2.525 4.372 1.00 0.00 N ATOM 128 CA ILE A 10 2.067 3.323 3.328 1.00 0.00 C ATOM 129 C ILE A 10 0.994 2.437 2.619 1.00 0.00 C ATOM 130 O ILE A 10 1.333 1.492 1.900 1.00 0.00 O ATOM 131 CB ILE A 10 3.094 4.024 2.362 1.00 0.00 C ATOM 132 CG1 ILE A 10 2.450 5.017 1.348 1.00 0.00 C ATOM 133 CG2 ILE A 10 4.037 3.064 1.587 1.00 0.00 C ATOM 134 CD1 ILE A 10 1.749 6.236 1.969 1.00 0.00 C ATOM 135 H ILE A 10 3.632 2.007 4.163 1.00 0.00 H ATOM 136 HA ILE A 10 1.550 4.157 3.844 1.00 0.00 H ATOM 137 HB ILE A 10 3.762 4.634 3.003 1.00 0.00 H ATOM 138 HG12 ILE A 10 3.229 5.405 0.663 1.00 0.00 H ATOM 139 HG13 ILE A 10 1.738 4.484 0.689 1.00 0.00 H ATOM 140 HG21 ILE A 10 4.594 2.393 2.266 1.00 0.00 H ATOM 141 HG22 ILE A 10 3.489 2.421 0.875 1.00 0.00 H ATOM 142 HG23 ILE A 10 4.798 3.616 1.004 1.00 0.00 H ATOM 143 HD11 ILE A 10 1.415 6.941 1.186 1.00 0.00 H ATOM 144 HD12 ILE A 10 0.853 5.949 2.548 1.00 0.00 H ATOM 145 HD13 ILE A 10 2.422 6.796 2.644 1.00 0.00 H HETATM 146 N SET A 11 -0.299 2.756 2.824 1.00 0.00 N HETATM 147 CA SET A 11 -1.425 2.001 2.201 1.00 0.00 C HETATM 148 CB SET A 11 -1.605 2.285 0.673 1.00 0.00 C HETATM 149 OG SET A 11 -1.669 1.327 -0.103 1.00 0.00 O HETATM 150 NT SET A 11 -3.864 1.359 2.549 1.00 0.00 N HETATM 151 C SET A 11 -2.727 2.199 3.036 1.00 0.00 C HETATM 152 H SET A 11 -0.453 3.542 3.465 1.00 0.00 H HETATM 153 HA SET A 11 -1.177 0.924 2.291 1.00 0.00 H HETATM 154 HB2 SET A 11 -2.515 1.992 4.109 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.019 3.268 3.033 1.00 0.00 H HETATM 156 HNT2 SET A 11 -4.452 1.601 1.735 1.00 0.00 H ATOM 157 N THR A 12 -1.686 3.565 0.247 1.00 0.00 N ATOM 158 CA THR A 12 -1.864 3.941 -1.191 1.00 0.00 C ATOM 159 C THR A 12 -0.802 3.476 -2.248 1.00 0.00 C ATOM 160 O THR A 12 -1.134 3.391 -3.434 1.00 0.00 O ATOM 161 CB THR A 12 -2.220 5.457 -1.287 1.00 0.00 C ATOM 162 OG1 THR A 12 -2.734 5.752 -2.581 1.00 0.00 O ATOM 163 CG2 THR A 12 -1.068 6.440 -1.000 1.00 0.00 C ATOM 164 H THR A 12 -1.753 4.261 1.001 1.00 0.00 H ATOM 165 HA THR A 12 -2.770 3.402 -1.502 1.00 0.00 H ATOM 166 HB THR A 12 -3.032 5.676 -0.566 1.00 0.00 H ATOM 167 HG1 THR A 12 -2.900 6.698 -2.593 1.00 0.00 H ATOM 168 HG21 THR A 12 -0.234 6.320 -1.716 1.00 0.00 H ATOM 169 HG22 THR A 12 -1.406 7.490 -1.064 1.00 0.00 H ATOM 170 HG23 THR A 12 -0.654 6.294 0.014 1.00 0.00 H ATOM 171 N THR A 13 0.442 3.177 -1.837 1.00 0.00 N ATOM 172 CA THR A 13 1.519 2.708 -2.754 1.00 0.00 C ATOM 173 C THR A 13 1.546 1.148 -2.676 1.00 0.00 C ATOM 174 O THR A 13 2.311 0.562 -1.902 1.00 0.00 O ATOM 175 CB THR A 13 2.865 3.408 -2.390 1.00 0.00 C ATOM 176 OG1 THR A 13 2.717 4.826 -2.417 1.00 0.00 O ATOM 177 CG2 THR A 13 4.026 3.069 -3.342 1.00 0.00 C ATOM 178 H THR A 13 0.513 3.116 -0.819 1.00 0.00 H ATOM 179 HA THR A 13 1.290 3.010 -3.797 1.00 0.00 H ATOM 180 HB THR A 13 3.163 3.117 -1.365 1.00 0.00 H ATOM 181 HG1 THR A 13 2.510 5.054 -3.326 1.00 0.00 H ATOM 182 HG21 THR A 13 4.264 1.989 -3.333 1.00 0.00 H ATOM 183 HG22 THR A 13 3.799 3.349 -4.387 1.00 0.00 H ATOM 184 HG23 THR A 13 4.950 3.603 -3.052 1.00 0.00 H ATOM 185 N ALA A 14 0.691 0.500 -3.491 1.00 0.00 N ATOM 186 CA ALA A 14 0.569 -0.977 -3.545 1.00 0.00 C ATOM 187 C ALA A 14 1.012 -1.486 -4.932 1.00 0.00 C ATOM 188 O ALA A 14 0.424 -1.229 -5.983 1.00 0.00 O ATOM 189 CB ALA A 14 -0.887 -1.366 -3.226 1.00 0.00 C ATOM 190 OXT ALA A 14 2.137 -2.265 -4.863 1.00 0.00 O ATOM 191 H ALA A 14 0.077 1.115 -4.036 1.00 0.00 H ATOM 192 HA ALA A 14 1.206 -1.457 -2.776 1.00 0.00 H ATOM 193 HB1 ALA A 14 -1.200 -1.003 -2.228 1.00 0.00 H ATOM 194 HB2 ALA A 14 -1.606 -0.956 -3.962 1.00 0.00 H ATOM 195 HB3 ALA A 14 -1.019 -2.463 -3.219 1.00 0.00 H ATOM 196 HXT ALA A 14 2.403 -2.568 -5.734 1.00 0.00 H TER 197 ALA A 14