HETATM 1 C ACE A 1 -12.513 3.038 -0.075 1.00 0.00 C HETATM 2 O ACE A 1 -13.370 2.164 -0.198 1.00 0.00 O HETATM 3 CH3 ACE A 1 -12.684 4.131 0.923 1.00 0.00 C HETATM 4 H1 ACE A 1 -12.384 3.774 1.908 1.00 0.00 H HETATM 5 H2 ACE A 1 -12.063 4.982 0.640 1.00 0.00 H HETATM 6 H3 ACE A 1 -13.730 4.437 0.950 1.00 0.00 H ATOM 7 N ILE A 2 -11.396 3.098 -0.785 1.00 0.00 N ATOM 8 CA ILE A 2 -11.097 2.098 -1.796 1.00 0.00 C ATOM 9 C ILE A 2 -9.701 1.523 -1.542 1.00 0.00 C ATOM 10 O ILE A 2 -8.697 2.180 -1.813 1.00 0.00 O ATOM 11 CB ILE A 2 -11.275 2.681 -3.198 1.00 0.00 C ATOM 12 CG1 ILE A 2 -10.211 3.741 -3.491 1.00 0.00 C ATOM 13 CG2 ILE A 2 -12.692 3.226 -3.389 1.00 0.00 C ATOM 14 CD1 ILE A 2 -9.021 3.132 -4.236 1.00 0.00 C ATOM 15 H ILE A 2 -10.703 3.812 -0.680 1.00 0.00 H ATOM 16 HA ILE A 2 -11.825 1.294 -1.686 1.00 0.00 H ATOM 17 HB ILE A 2 -11.138 1.878 -3.922 1.00 0.00 H ATOM 18 HG13 ILE A 2 -9.870 4.186 -2.556 1.00 0.00 H ATOM 19 HG21 ILE A 2 -13.141 3.421 -2.415 1.00 0.00 H ATOM 20 HG22 ILE A 2 -12.652 4.151 -3.962 1.00 0.00 H ATOM 21 HG23 ILE A 2 -13.294 2.492 -3.926 1.00 0.00 H ATOM 22 HD11 ILE A 2 -8.959 3.563 -5.234 1.00 0.00 H ATOM 23 HD12 ILE A 2 -8.102 3.345 -3.690 1.00 0.00 H ATOM 24 HD13 ILE A 2 -9.156 2.053 -4.314 1.00 0.00 H ATOM 25 N TRP A 3 -9.683 0.304 -1.023 1.00 0.00 N ATOM 26 CA TRP A 3 -8.427 -0.365 -0.730 1.00 0.00 C ATOM 27 C TRP A 3 -7.681 -0.570 -2.050 1.00 0.00 C ATOM 28 O TRP A 3 -8.093 -1.378 -2.881 1.00 0.00 O ATOM 29 CB TRP A 3 -8.667 -1.671 0.031 1.00 0.00 C ATOM 30 CG TRP A 3 -8.663 -2.917 -0.856 1.00 0.00 C ATOM 31 CD1 TRP A 3 -7.697 -3.838 -0.981 1.00 0.00 C ATOM 32 CD2 TRP A 3 -9.718 -3.346 -1.743 1.00 0.00 C ATOM 33 NE1 TRP A 3 -8.051 -4.825 -1.879 1.00 0.00 N ATOM 34 CE2 TRP A 3 -9.319 -4.516 -2.357 1.00 0.00 C ATOM 35 CE3 TRP A 3 -10.968 -2.764 -2.016 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -10.112 -5.204 -3.284 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -11.748 -3.464 -2.945 1.00 0.00 C ATOM 38 CH2 TRP A 3 -11.362 -4.642 -3.572 1.00 0.00 C ATOM 39 H TRP A 3 -10.504 -0.223 -0.806 1.00 0.00 H ATOM 40 HA TRP A 3 -7.849 0.283 -0.072 1.00 0.00 H ATOM 41 HB3 TRP A 3 -9.625 -1.608 0.547 1.00 0.00 H ATOM 42 HD1 TRP A 3 -6.751 -3.813 -0.440 1.00 0.00 H ATOM 43 HE1 TRP A 3 -7.447 -5.687 -2.161 1.00 0.00 H ATOM 44 HE3 TRP A 3 -11.306 -1.841 -1.545 1.00 0.00 H ATOM 45 HZ2 TRP A 3 -9.774 -6.126 -3.755 1.00 0.00 H ATOM 46 HZ3 TRP A 3 -12.728 -3.055 -3.193 1.00 0.00 H ATOM 47 HH2 TRP A 3 -12.028 -5.127 -4.285 1.00 0.00 H ATOM 48 N GLY A 4 -6.596 0.173 -2.200 1.00 0.00 N ATOM 49 CA GLY A 4 -5.788 0.083 -3.405 1.00 0.00 C ATOM 50 C GLY A 4 -4.419 0.735 -3.198 1.00 0.00 C ATOM 51 O GLY A 4 -3.411 0.042 -3.066 1.00 0.00 O ATOM 52 H GLY A 4 -6.266 0.827 -1.519 1.00 0.00 H ATOM 53 HA2 GLY A 4 -5.658 -0.963 -3.682 1.00 0.00 H ATOM 54 HA3 GLY A 4 -6.305 0.570 -4.231 1.00 0.00 H ATOM 55 N CYS A 5 -4.427 2.060 -3.175 1.00 0.00 N ATOM 56 CA CYS A 5 -3.199 2.813 -2.985 1.00 0.00 C ATOM 57 C CYS A 5 -3.570 4.254 -2.626 1.00 0.00 C ATOM 58 O CYS A 5 -4.287 4.945 -3.349 1.00 0.00 O ATOM 59 CB CYS A 5 -2.299 2.746 -4.221 1.00 0.00 C ATOM 60 SG CYS A 5 -1.081 1.380 -4.210 1.00 0.00 S ATOM 61 H CYS A 5 -5.252 2.616 -3.282 1.00 0.00 H ATOM 62 HA CYS A 5 -2.662 2.335 -2.166 1.00 0.00 H ATOM 63 HB3 CYS A 5 -1.763 3.690 -4.314 1.00 0.00 H HETATM 64 N B3S A 6 -3.057 4.698 -1.474 1.00 0.00 N HETATM 65 OD B3S A 6 -4.908 7.842 -0.921 1.00 0.00 O HETATM 66 CG B3S A 6 -4.581 6.479 -0.644 1.00 0.00 C HETATM 67 CB B3S A 6 -3.132 6.118 -1.050 1.00 0.00 C HETATM 68 CA B3S A 6 -2.144 6.375 0.115 1.00 0.00 C HETATM 69 C B3S A 6 -1.064 5.307 0.323 1.00 0.00 C HETATM 70 O B3S A 6 -0.867 4.886 1.462 1.00 0.00 O HETATM 71 H B3S A 6 -2.481 4.005 -0.987 1.00 0.00 H HETATM 72 HD B3S A 6 -4.608 8.011 -1.821 1.00 0.00 H HETATM 73 HG2 B3S A 6 -4.726 6.276 0.437 1.00 0.00 H HETATM 74 HB B3S A 6 -2.849 6.783 -1.896 1.00 0.00 H HETATM 75 HA1 B3S A 6 -1.657 7.359 -0.016 1.00 0.00 H HETATM 76 HA2 B3S A 6 -2.703 6.481 1.063 1.00 0.00 H ATOM 77 N GLY A 7 -0.395 4.911 -0.750 1.00 0.00 N ATOM 78 CA GLY A 7 0.658 3.915 -0.650 1.00 0.00 C ATOM 79 C GLY A 7 2.031 4.541 -0.906 1.00 0.00 C ATOM 80 O GLY A 7 2.620 4.340 -1.966 1.00 0.00 O ATOM 81 H GLY A 7 -0.563 5.259 -1.673 1.00 0.00 H ATOM 82 HA2 GLY A 7 0.640 3.460 0.340 1.00 0.00 H ATOM 83 HA3 GLY A 7 0.477 3.117 -1.371 1.00 0.00 H ATOM 84 N LYS A 8 2.499 5.286 0.084 1.00 0.00 N ATOM 85 CA LYS A 8 3.791 5.942 -0.021 1.00 0.00 C ATOM 86 C LYS A 8 4.856 5.071 0.649 1.00 0.00 C ATOM 87 O LYS A 8 5.610 5.547 1.495 1.00 0.00 O ATOM 88 CB LYS A 8 3.718 7.363 0.541 1.00 0.00 C ATOM 89 CG LYS A 8 4.945 8.179 0.130 1.00 0.00 C ATOM 90 CD LYS A 8 4.806 8.695 -1.304 1.00 0.00 C ATOM 91 CE LYS A 8 6.127 9.281 -1.806 1.00 0.00 C ATOM 92 NZ LYS A 8 5.879 10.289 -2.860 1.00 0.00 N ATOM 93 H LYS A 8 2.013 5.445 0.943 1.00 0.00 H ATOM 94 HA LYS A 8 4.030 6.026 -1.081 1.00 0.00 H ATOM 95 HB3 LYS A 8 3.648 7.325 1.627 1.00 0.00 H ATOM 96 HG3 LYS A 8 5.840 7.563 0.214 1.00 0.00 H ATOM 97 HD3 LYS A 8 4.027 9.456 -1.346 1.00 0.00 H ATOM 98 HE3 LYS A 8 6.759 8.485 -2.197 1.00 0.00 H ATOM 99 HZ1 LYS A 8 6.418 11.135 -2.712 1.00 0.00 H ATOM 100 HZ2 LYS A 8 6.124 9.944 -3.782 1.00 0.00 H ATOM 101 N LEU A 9 4.884 3.810 0.244 1.00 0.00 N ATOM 102 CA LEU A 9 5.844 2.868 0.793 1.00 0.00 C ATOM 103 C LEU A 9 5.881 1.614 -0.084 1.00 0.00 C ATOM 104 O LEU A 9 6.954 1.089 -0.375 1.00 0.00 O ATOM 105 CB LEU A 9 5.531 2.581 2.263 1.00 0.00 C ATOM 106 CG LEU A 9 6.498 1.640 2.984 1.00 0.00 C ATOM 107 CD1 LEU A 9 7.591 2.428 3.710 1.00 0.00 C ATOM 108 CD2 LEU A 9 5.748 0.698 3.927 1.00 0.00 C ATOM 109 H LEU A 9 4.267 3.431 -0.445 1.00 0.00 H ATOM 110 HA LEU A 9 6.824 3.343 0.759 1.00 0.00 H ATOM 111 HB3 LEU A 9 4.529 2.156 2.325 1.00 0.00 H ATOM 112 HG LEU A 9 6.992 1.019 2.235 1.00 0.00 H ATOM 113 HD11 LEU A 9 8.570 2.098 3.361 1.00 0.00 H ATOM 114 HD12 LEU A 9 7.470 3.491 3.504 1.00 0.00 H ATOM 115 HD13 LEU A 9 7.510 2.255 4.783 1.00 0.00 H ATOM 116 HD21 LEU A 9 6.439 0.301 4.670 1.00 0.00 H ATOM 117 HD22 LEU A 9 4.950 1.245 4.428 1.00 0.00 H ATOM 118 HD23 LEU A 9 5.319 -0.124 3.353 1.00 0.00 H ATOM 119 N ILE A 10 4.696 1.172 -0.479 1.00 0.00 N ATOM 120 CA ILE A 10 4.581 -0.010 -1.315 1.00 0.00 C ATOM 121 C ILE A 10 3.169 -0.078 -1.903 1.00 0.00 C ATOM 122 O ILE A 10 2.198 -0.272 -1.173 1.00 0.00 O ATOM 123 CB ILE A 10 4.982 -1.262 -0.533 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.691 -2.271 -1.440 1.00 0.00 C ATOM 125 CG2 ILE A 10 3.773 -1.879 0.174 1.00 0.00 C ATOM 126 CD1 ILE A 10 6.928 -1.650 -2.089 1.00 0.00 C ATOM 127 H ILE A 10 3.828 1.605 -0.236 1.00 0.00 H ATOM 128 HA ILE A 10 5.291 0.098 -2.135 1.00 0.00 H ATOM 129 HB ILE A 10 5.692 -0.969 0.239 1.00 0.00 H ATOM 130 HG13 ILE A 10 5.004 -2.616 -2.213 1.00 0.00 H ATOM 131 HG21 ILE A 10 3.054 -2.223 -0.570 1.00 0.00 H ATOM 132 HG22 ILE A 10 4.098 -2.722 0.783 1.00 0.00 H ATOM 133 HG23 ILE A 10 3.305 -1.128 0.812 1.00 0.00 H ATOM 134 HD11 ILE A 10 7.800 -2.269 -1.879 1.00 0.00 H ATOM 135 HD12 ILE A 10 6.780 -1.586 -3.167 1.00 0.00 H ATOM 136 HD13 ILE A 10 7.087 -0.649 -1.685 1.00 0.00 H ATOM 137 N CYS A 11 3.100 0.087 -3.215 1.00 0.00 N ATOM 138 CA CYS A 11 1.824 0.047 -3.909 1.00 0.00 C ATOM 139 C CYS A 11 1.582 -1.386 -4.389 1.00 0.00 C ATOM 140 O CYS A 11 0.865 -1.604 -5.364 1.00 0.00 O ATOM 141 CB CYS A 11 1.775 1.051 -5.062 1.00 0.00 C ATOM 142 SG CYS A 11 0.624 2.452 -4.811 1.00 0.00 S ATOM 143 H CYS A 11 3.894 0.244 -3.802 1.00 0.00 H ATOM 144 HA CYS A 11 1.065 0.346 -3.186 1.00 0.00 H ATOM 145 HB3 CYS A 11 1.490 0.524 -5.973 1.00 0.00 H ATOM 146 N THR A 12 2.194 -2.323 -3.681 1.00 0.00 N ATOM 147 CA THR A 12 2.054 -3.729 -4.022 1.00 0.00 C ATOM 148 C THR A 12 2.535 -4.609 -2.867 1.00 0.00 C ATOM 149 O THR A 12 3.326 -4.168 -2.034 1.00 0.00 O ATOM 150 CB THR A 12 2.811 -3.975 -5.329 1.00 0.00 C ATOM 151 OG1 THR A 12 2.032 -4.962 -6.000 1.00 0.00 O ATOM 152 CG2 THR A 12 4.162 -4.656 -5.104 1.00 0.00 C ATOM 153 H THR A 12 2.775 -2.137 -2.889 1.00 0.00 H ATOM 154 HA THR A 12 0.996 -3.944 -4.168 1.00 0.00 H ATOM 155 HB THR A 12 2.930 -3.049 -5.890 1.00 0.00 H ATOM 156 HG1 THR A 12 1.783 -5.693 -5.364 1.00 0.00 H ATOM 157 HG21 THR A 12 4.669 -4.784 -6.061 1.00 0.00 H ATOM 158 HG22 THR A 12 4.775 -4.039 -4.448 1.00 0.00 H ATOM 159 HG23 THR A 12 4.005 -5.631 -4.643 1.00 0.00 H ATOM 160 N THR A 13 2.037 -5.837 -2.853 1.00 0.00 N ATOM 161 CA THR A 13 2.407 -6.782 -1.814 1.00 0.00 C ATOM 162 C THR A 13 2.068 -8.211 -2.247 1.00 0.00 C ATOM 163 O THR A 13 0.900 -8.596 -2.270 1.00 0.00 O ATOM 164 CB THR A 13 1.708 -6.360 -0.520 1.00 0.00 C ATOM 165 OG1 THR A 13 0.466 -5.817 -0.957 1.00 0.00 O ATOM 166 CG2 THR A 13 2.408 -5.183 0.164 1.00 0.00 C ATOM 167 H THR A 13 1.395 -6.187 -3.535 1.00 0.00 H ATOM 168 HA THR A 13 3.487 -6.738 -1.677 1.00 0.00 H ATOM 169 HB THR A 13 1.608 -7.204 0.162 1.00 0.00 H ATOM 170 HG1 THR A 13 -0.093 -5.562 -0.168 1.00 0.00 H ATOM 171 HG21 THR A 13 3.481 -5.243 -0.016 1.00 0.00 H ATOM 172 HG22 THR A 13 2.024 -4.246 -0.241 1.00 0.00 H ATOM 173 HG23 THR A 13 2.217 -5.220 1.237 1.00 0.00 H ATOM 174 N ALA A 14 3.110 -8.956 -2.582 1.00 0.00 N ATOM 175 CA ALA A 14 2.938 -10.333 -3.014 1.00 0.00 C ATOM 176 C ALA A 14 2.099 -11.086 -1.979 1.00 0.00 C ATOM 177 O ALA A 14 2.084 -10.723 -0.804 1.00 0.00 O ATOM 178 CB ALA A 14 4.310 -10.975 -3.231 1.00 0.00 C ATOM 179 H ALA A 14 4.057 -8.635 -2.561 1.00 0.00 H ATOM 180 HA ALA A 14 2.403 -10.318 -3.963 1.00 0.00 H ATOM 181 HB1 ALA A 14 5.046 -10.484 -2.594 1.00 0.00 H ATOM 182 HB2 ALA A 14 4.260 -12.034 -2.976 1.00 0.00 H ATOM 183 HB3 ALA A 14 4.602 -10.865 -4.275 1.00 0.00 H TER 184 ALA A 14