HETATM 1 C ACE A 1 0.300 -7.702 5.437 1.00 0.00 C HETATM 2 O ACE A 1 0.366 -8.804 4.895 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.537 -7.011 5.899 1.00 0.00 C HETATM 4 H1 ACE A 1 1.483 -5.955 5.635 1.00 0.00 H HETATM 5 H2 ACE A 1 1.626 -7.112 6.981 1.00 0.00 H HETATM 6 H3 ACE A 1 2.406 -7.462 5.419 1.00 0.00 H ATOM 7 N ILE A 2 -0.826 -7.039 5.657 1.00 0.00 N ATOM 8 CA ILE A 2 -2.110 -7.594 5.258 1.00 0.00 C ATOM 9 C ILE A 2 -2.962 -6.490 4.630 1.00 0.00 C ATOM 10 O ILE A 2 -4.119 -6.304 5.005 1.00 0.00 O ATOM 11 CB ILE A 2 -2.783 -8.292 6.441 1.00 0.00 C ATOM 12 CG1 ILE A 2 -2.873 -7.359 7.650 1.00 0.00 C ATOM 13 CG2 ILE A 2 -2.071 -9.603 6.780 1.00 0.00 C ATOM 14 CD1 ILE A 2 -4.258 -6.715 7.743 1.00 0.00 C ATOM 15 H ILE A 2 -0.872 -6.144 6.098 1.00 0.00 H ATOM 16 HA ILE A 2 -1.917 -8.354 4.501 1.00 0.00 H ATOM 17 HB ILE A 2 -3.803 -8.545 6.152 1.00 0.00 H ATOM 18 HG13 ILE A 2 -2.111 -6.583 7.573 1.00 0.00 H ATOM 19 HG21 ILE A 2 -2.755 -10.438 6.628 1.00 0.00 H ATOM 20 HG22 ILE A 2 -1.201 -9.723 6.133 1.00 0.00 H ATOM 21 HG23 ILE A 2 -1.749 -9.582 7.822 1.00 0.00 H ATOM 22 HD11 ILE A 2 -4.878 -7.068 6.921 1.00 0.00 H ATOM 23 HD12 ILE A 2 -4.722 -6.987 8.691 1.00 0.00 H ATOM 24 HD13 ILE A 2 -4.158 -5.631 7.686 1.00 0.00 H ATOM 25 N TRP A 3 -2.358 -5.785 3.684 1.00 0.00 N ATOM 26 CA TRP A 3 -3.049 -4.705 2.999 1.00 0.00 C ATOM 27 C TRP A 3 -2.272 -4.383 1.721 1.00 0.00 C ATOM 28 O TRP A 3 -1.125 -4.799 1.565 1.00 0.00 O ATOM 29 CB TRP A 3 -3.217 -3.493 3.918 1.00 0.00 C ATOM 30 CG TRP A 3 -4.644 -3.298 4.435 1.00 0.00 C ATOM 31 CD1 TRP A 3 -5.787 -3.348 3.739 1.00 0.00 C ATOM 32 CD2 TRP A 3 -5.034 -3.019 5.797 1.00 0.00 C ATOM 33 NE1 TRP A 3 -6.882 -3.122 4.550 1.00 0.00 N ATOM 34 CE2 TRP A 3 -6.409 -2.916 5.840 1.00 0.00 C ATOM 35 CE3 TRP A 3 -4.250 -2.860 6.953 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -7.122 -2.649 7.015 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -4.977 -2.593 8.120 1.00 0.00 C ATOM 38 CH2 TRP A 3 -6.361 -2.486 8.180 1.00 0.00 C ATOM 39 H TRP A 3 -1.418 -5.943 3.385 1.00 0.00 H ATOM 40 HA TRP A 3 -4.050 -5.055 2.749 1.00 0.00 H ATOM 41 HB3 TRP A 3 -2.911 -2.597 3.379 1.00 0.00 H ATOM 42 HD1 TRP A 3 -5.847 -3.541 2.669 1.00 0.00 H ATOM 43 HE1 TRP A 3 -7.926 -3.107 4.235 1.00 0.00 H ATOM 44 HE3 TRP A 3 -3.164 -2.937 6.945 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -8.208 -2.572 7.023 1.00 0.00 H ATOM 46 HZ3 TRP A 3 -4.418 -2.461 9.046 1.00 0.00 H ATOM 47 HH2 TRP A 3 -6.853 -2.276 9.130 1.00 0.00 H ATOM 48 N GLY A 4 -2.928 -3.643 0.839 1.00 0.00 N ATOM 49 CA GLY A 4 -2.313 -3.260 -0.421 1.00 0.00 C ATOM 50 C GLY A 4 -1.689 -1.866 -0.325 1.00 0.00 C ATOM 51 O GLY A 4 -0.611 -1.703 0.243 1.00 0.00 O ATOM 52 H GLY A 4 -3.860 -3.308 0.974 1.00 0.00 H ATOM 53 HA2 GLY A 4 -1.547 -3.987 -0.692 1.00 0.00 H ATOM 54 HA3 GLY A 4 -3.061 -3.274 -1.214 1.00 0.00 H ATOM 55 N CYS A 5 -2.394 -0.898 -0.890 1.00 0.00 N ATOM 56 CA CYS A 5 -1.924 0.477 -0.876 1.00 0.00 C ATOM 57 C CYS A 5 -2.489 1.166 0.368 1.00 0.00 C ATOM 58 O CYS A 5 -3.700 1.273 0.564 1.00 0.00 O ATOM 59 CB CYS A 5 -2.301 1.219 -2.160 1.00 0.00 C ATOM 60 SG CYS A 5 -1.534 0.554 -3.683 1.00 0.00 S ATOM 61 H CYS A 5 -3.271 -1.039 -1.350 1.00 0.00 H ATOM 62 HA CYS A 5 -0.835 0.434 -0.833 1.00 0.00 H ATOM 63 HB3 CYS A 5 -2.017 2.265 -2.055 1.00 0.00 H HETATM 64 N B3S A 6 -1.572 1.638 1.219 1.00 0.00 N HETATM 65 OD B3S A 6 -2.862 2.433 4.662 1.00 0.00 O HETATM 66 CG B3S A 6 -2.372 1.646 3.574 1.00 0.00 C HETATM 67 CB B3S A 6 -1.912 2.507 2.373 1.00 0.00 C HETATM 68 CA B3S A 6 -0.693 3.386 2.750 1.00 0.00 C HETATM 69 C B3S A 6 -0.438 4.598 1.848 1.00 0.00 C HETATM 70 O B3S A 6 -0.939 5.677 2.161 1.00 0.00 O HETATM 71 H B3S A 6 -0.608 1.471 0.917 1.00 0.00 H HETATM 72 HD B3S A 6 -2.536 2.011 5.465 1.00 0.00 H HETATM 73 HG2 B3S A 6 -1.532 1.013 3.924 1.00 0.00 H HETATM 74 HB B3S A 6 -2.754 3.182 2.106 1.00 0.00 H HETATM 75 HA1 B3S A 6 -0.787 3.729 3.796 1.00 0.00 H HETATM 76 HA2 B3S A 6 0.225 2.769 2.757 1.00 0.00 H ATOM 77 N GLY A 7 0.303 4.398 0.768 1.00 0.00 N ATOM 78 CA GLY A 7 0.584 5.484 -0.156 1.00 0.00 C ATOM 79 C GLY A 7 1.961 5.310 -0.803 1.00 0.00 C ATOM 80 O GLY A 7 2.125 4.499 -1.713 1.00 0.00 O ATOM 81 H GLY A 7 0.706 3.517 0.521 1.00 0.00 H ATOM 82 HA2 GLY A 7 -0.183 5.516 -0.930 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.544 6.436 0.373 1.00 0.00 H ATOM 84 N LYS A 8 2.914 6.084 -0.307 1.00 0.00 N ATOM 85 CA LYS A 8 4.270 6.027 -0.824 1.00 0.00 C ATOM 86 C LYS A 8 5.072 4.996 -0.027 1.00 0.00 C ATOM 87 O LYS A 8 6.240 5.220 0.286 1.00 0.00 O ATOM 88 CB LYS A 8 4.900 7.421 -0.834 1.00 0.00 C ATOM 89 CG LYS A 8 4.940 8.015 0.575 1.00 0.00 C ATOM 90 CD LYS A 8 6.382 8.231 1.039 1.00 0.00 C ATOM 91 CE LYS A 8 6.517 9.540 1.818 1.00 0.00 C ATOM 92 NZ LYS A 8 6.800 9.267 3.245 1.00 0.00 N ATOM 93 H LYS A 8 2.772 6.742 0.434 1.00 0.00 H ATOM 94 HA LYS A 8 4.211 5.693 -1.860 1.00 0.00 H ATOM 95 HB3 LYS A 8 4.331 8.077 -1.493 1.00 0.00 H ATOM 96 HG3 LYS A 8 4.427 7.350 1.269 1.00 0.00 H ATOM 97 HD3 LYS A 8 7.047 8.246 0.175 1.00 0.00 H ATOM 98 HE3 LYS A 8 5.600 10.121 1.728 1.00 0.00 H ATOM 99 HZ1 LYS A 8 7.659 8.743 3.368 1.00 0.00 H ATOM 100 HZ2 LYS A 8 6.898 10.121 3.784 1.00 0.00 H ATOM 101 N LEU A 9 4.412 3.888 0.277 1.00 0.00 N ATOM 102 CA LEU A 9 5.049 2.821 1.032 1.00 0.00 C ATOM 103 C LEU A 9 5.310 1.632 0.106 1.00 0.00 C ATOM 104 O LEU A 9 6.460 1.317 -0.197 1.00 0.00 O ATOM 105 CB LEU A 9 4.218 2.469 2.267 1.00 0.00 C ATOM 106 CG LEU A 9 4.566 1.147 2.955 1.00 0.00 C ATOM 107 CD1 LEU A 9 5.256 1.394 4.299 1.00 0.00 C ATOM 108 CD2 LEU A 9 3.328 0.261 3.100 1.00 0.00 C ATOM 109 H LEU A 9 3.463 3.713 0.019 1.00 0.00 H ATOM 110 HA LEU A 9 6.008 3.199 1.386 1.00 0.00 H ATOM 111 HB3 LEU A 9 3.167 2.438 1.977 1.00 0.00 H ATOM 112 HG LEU A 9 5.275 0.609 2.324 1.00 0.00 H ATOM 113 HD11 LEU A 9 5.580 2.433 4.355 1.00 0.00 H ATOM 114 HD12 LEU A 9 4.557 1.185 5.109 1.00 0.00 H ATOM 115 HD13 LEU A 9 6.122 0.738 4.389 1.00 0.00 H ATOM 116 HD21 LEU A 9 3.579 -0.619 3.692 1.00 0.00 H ATOM 117 HD22 LEU A 9 2.536 0.821 3.598 1.00 0.00 H ATOM 118 HD23 LEU A 9 2.986 -0.051 2.113 1.00 0.00 H ATOM 119 N ILE A 10 4.223 1.005 -0.319 1.00 0.00 N ATOM 120 CA ILE A 10 4.320 -0.143 -1.205 1.00 0.00 C ATOM 121 C ILE A 10 2.941 -0.440 -1.801 1.00 0.00 C ATOM 122 O ILE A 10 2.038 -0.882 -1.093 1.00 0.00 O ATOM 123 CB ILE A 10 4.942 -1.334 -0.474 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.815 -2.162 -1.419 1.00 0.00 C ATOM 125 CG2 ILE A 10 3.866 -2.185 0.206 1.00 0.00 C ATOM 126 CD1 ILE A 10 6.949 -1.315 -2.001 1.00 0.00 C ATOM 127 H ILE A 10 3.291 1.267 -0.068 1.00 0.00 H ATOM 128 HA ILE A 10 4.995 0.127 -2.017 1.00 0.00 H ATOM 129 HB ILE A 10 5.592 -0.950 0.312 1.00 0.00 H ATOM 130 HG13 ILE A 10 5.204 -2.563 -2.226 1.00 0.00 H ATOM 131 HG21 ILE A 10 3.161 -1.533 0.722 1.00 0.00 H ATOM 132 HG22 ILE A 10 3.337 -2.769 -0.547 1.00 0.00 H ATOM 133 HG23 ILE A 10 4.335 -2.856 0.925 1.00 0.00 H ATOM 134 HD11 ILE A 10 6.849 -1.272 -3.086 1.00 0.00 H ATOM 135 HD12 ILE A 10 6.896 -0.306 -1.592 1.00 0.00 H ATOM 136 HD13 ILE A 10 7.907 -1.763 -1.742 1.00 0.00 H ATOM 137 N CYS A 11 2.824 -0.183 -3.095 1.00 0.00 N ATOM 138 CA CYS A 11 1.571 -0.417 -3.794 1.00 0.00 C ATOM 139 C CYS A 11 1.656 -1.777 -4.490 1.00 0.00 C ATOM 140 O CYS A 11 1.014 -1.993 -5.517 1.00 0.00 O ATOM 141 CB CYS A 11 1.254 0.710 -4.779 1.00 0.00 C ATOM 142 SG CYS A 11 -0.102 1.824 -4.258 1.00 0.00 S ATOM 143 H CYS A 11 3.564 0.177 -3.663 1.00 0.00 H ATOM 144 HA CYS A 11 0.787 -0.418 -3.037 1.00 0.00 H ATOM 145 HB3 CYS A 11 0.995 0.271 -5.741 1.00 0.00 H ATOM 146 N THR A 12 2.454 -2.658 -3.904 1.00 0.00 N ATOM 147 CA THR A 12 2.632 -3.990 -4.455 1.00 0.00 C ATOM 148 C THR A 12 3.286 -4.911 -3.424 1.00 0.00 C ATOM 149 O THR A 12 3.839 -4.443 -2.431 1.00 0.00 O ATOM 150 CB THR A 12 3.433 -3.861 -5.752 1.00 0.00 C ATOM 151 OG1 THR A 12 2.841 -4.820 -6.623 1.00 0.00 O ATOM 152 CG2 THR A 12 4.878 -4.341 -5.597 1.00 0.00 C ATOM 153 H THR A 12 2.973 -2.473 -3.070 1.00 0.00 H ATOM 154 HA THR A 12 1.648 -4.403 -4.676 1.00 0.00 H ATOM 155 HB THR A 12 3.402 -2.840 -6.130 1.00 0.00 H ATOM 156 HG1 THR A 12 2.944 -5.739 -6.242 1.00 0.00 H ATOM 157 HG21 THR A 12 4.887 -5.418 -5.425 1.00 0.00 H ATOM 158 HG22 THR A 12 5.436 -4.114 -6.505 1.00 0.00 H ATOM 159 HG23 THR A 12 5.340 -3.835 -4.749 1.00 0.00 H ATOM 160 N THR A 13 3.201 -6.204 -3.697 1.00 0.00 N ATOM 161 CA THR A 13 3.779 -7.196 -2.805 1.00 0.00 C ATOM 162 C THR A 13 3.943 -8.534 -3.529 1.00 0.00 C ATOM 163 O THR A 13 5.038 -8.872 -3.974 1.00 0.00 O ATOM 164 CB THR A 13 2.895 -7.283 -1.559 1.00 0.00 C ATOM 165 OG1 THR A 13 1.576 -7.066 -2.053 1.00 0.00 O ATOM 166 CG2 THR A 13 3.127 -6.120 -0.594 1.00 0.00 C ATOM 167 H THR A 13 2.750 -6.578 -4.507 1.00 0.00 H ATOM 168 HA THR A 13 4.776 -6.862 -2.519 1.00 0.00 H ATOM 169 HB THR A 13 3.027 -8.240 -1.055 1.00 0.00 H ATOM 170 HG1 THR A 13 0.911 -7.172 -1.314 1.00 0.00 H ATOM 171 HG21 THR A 13 2.481 -5.286 -0.867 1.00 0.00 H ATOM 172 HG22 THR A 13 2.895 -6.440 0.423 1.00 0.00 H ATOM 173 HG23 THR A 13 4.169 -5.805 -0.647 1.00 0.00 H ATOM 174 N ALA A 14 2.838 -9.258 -3.623 1.00 0.00 N ATOM 175 CA ALA A 14 2.845 -10.552 -4.285 1.00 0.00 C ATOM 176 C ALA A 14 3.700 -10.467 -5.551 1.00 0.00 C ATOM 177 O ALA A 14 3.192 -10.627 -6.660 1.00 0.00 O ATOM 178 CB ALA A 14 1.406 -10.982 -4.581 1.00 0.00 C ATOM 179 H ALA A 14 1.951 -8.976 -3.257 1.00 0.00 H ATOM 180 HA ALA A 14 3.293 -11.273 -3.602 1.00 0.00 H ATOM 181 HB1 ALA A 14 1.343 -12.070 -4.569 1.00 0.00 H ATOM 182 HB2 ALA A 14 0.740 -10.572 -3.821 1.00 0.00 H ATOM 183 HB3 ALA A 14 1.111 -10.611 -5.562 1.00 0.00 H TER 184 ALA A 14