HETATM 1 C ACE A 1 1.609 -8.321 -9.310 1.00 0.00 C HETATM 2 O ACE A 1 0.708 -8.211 -8.475 1.00 0.00 O HETATM 3 CH3 ACE A 1 1.296 -8.245 -10.801 1.00 0.00 C HETATM 4 H1 ACE A 1 1.824 -7.402 -11.283 1.00 0.00 H HETATM 5 H2 ACE A 1 1.586 -9.175 -11.324 1.00 0.00 H HETATM 6 H3 ACE A 1 0.214 -8.096 -10.973 1.00 0.00 H ATOM 7 N ILE A 2 2.900 -8.506 -9.001 1.00 0.00 N ATOM 8 CA ILE A 2 3.393 -8.605 -7.595 1.00 0.00 C ATOM 9 C ILE A 2 3.833 -7.177 -7.136 1.00 0.00 C ATOM 10 O ILE A 2 4.597 -6.481 -7.815 1.00 0.00 O ATOM 11 CB ILE A 2 4.546 -9.659 -7.423 1.00 0.00 C ATOM 12 CG1 ILE A 2 4.316 -11.051 -8.092 1.00 0.00 C ATOM 13 CG2 ILE A 2 4.968 -9.865 -5.943 1.00 0.00 C ATOM 14 CD1 ILE A 2 3.083 -11.850 -7.628 1.00 0.00 C ATOM 15 H ILE A 2 3.531 -8.564 -9.807 1.00 0.00 H ATOM 16 HA ILE A 2 2.561 -8.969 -6.955 1.00 0.00 H ATOM 17 HB ILE A 2 5.428 -9.218 -7.917 1.00 0.00 H ATOM 18 HG12 ILE A 2 4.248 -10.919 -9.187 1.00 0.00 H ATOM 19 HG13 ILE A 2 5.216 -11.680 -7.955 1.00 0.00 H ATOM 20 HG21 ILE A 2 5.320 -8.926 -5.478 1.00 0.00 H ATOM 21 HG22 ILE A 2 4.134 -10.240 -5.321 1.00 0.00 H ATOM 22 HG23 ILE A 2 5.800 -10.587 -5.847 1.00 0.00 H ATOM 23 HD11 ILE A 2 3.008 -12.812 -8.168 1.00 0.00 H ATOM 24 HD12 ILE A 2 3.125 -12.087 -6.549 1.00 0.00 H ATOM 25 HD13 ILE A 2 2.143 -11.300 -7.813 1.00 0.00 H ATOM 26 N TRP A 3 3.341 -6.777 -5.956 1.00 0.00 N ATOM 27 CA TRP A 3 3.643 -5.453 -5.341 1.00 0.00 C ATOM 28 C TRP A 3 3.512 -5.517 -3.786 1.00 0.00 C ATOM 29 O TRP A 3 2.819 -6.368 -3.214 1.00 0.00 O ATOM 30 CB TRP A 3 2.837 -4.286 -5.994 1.00 0.00 C ATOM 31 CG TRP A 3 1.318 -4.281 -5.777 1.00 0.00 C ATOM 32 CD1 TRP A 3 0.393 -5.043 -6.509 1.00 0.00 C ATOM 33 CD2 TRP A 3 0.574 -3.590 -4.841 1.00 0.00 C ATOM 34 NE1 TRP A 3 -0.925 -4.853 -6.053 1.00 0.00 N ATOM 35 CE2 TRP A 3 -0.788 -3.946 -5.014 1.00 0.00 C ATOM 36 CE3 TRP A 3 0.954 -2.674 -3.831 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -1.779 -3.387 -4.172 1.00 0.00 C ATOM 38 CZ3 TRP A 3 -0.039 -2.131 -3.019 1.00 0.00 C ATOM 39 CH2 TRP A 3 -1.384 -2.483 -3.184 1.00 0.00 C ATOM 40 H TRP A 3 2.868 -7.531 -5.451 1.00 0.00 H ATOM 41 HA TRP A 3 4.711 -5.239 -5.552 1.00 0.00 H ATOM 42 HB2 TRP A 3 3.251 -3.325 -5.638 1.00 0.00 H ATOM 43 HB3 TRP A 3 3.040 -4.265 -7.081 1.00 0.00 H ATOM 44 HD1 TRP A 3 0.682 -5.710 -7.303 1.00 0.00 H ATOM 45 HE1 TRP A 3 -1.785 -5.296 -6.397 1.00 0.00 H ATOM 46 HE3 TRP A 3 1.986 -2.391 -3.694 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -2.820 -3.651 -4.289 1.00 0.00 H ATOM 48 HZ3 TRP A 3 0.244 -1.425 -2.255 1.00 0.00 H ATOM 49 HH2 TRP A 3 -2.131 -2.047 -2.538 1.00 0.00 H ATOM 50 N GLY A 4 4.181 -4.567 -3.117 1.00 0.00 N ATOM 51 CA GLY A 4 4.194 -4.474 -1.638 1.00 0.00 C ATOM 52 C GLY A 4 3.206 -3.451 -1.044 1.00 0.00 C ATOM 53 O GLY A 4 3.315 -2.250 -1.311 1.00 0.00 O ATOM 54 H GLY A 4 4.588 -3.854 -3.731 1.00 0.00 H ATOM 55 HA2 GLY A 4 4.078 -5.476 -1.177 1.00 0.00 H ATOM 56 HA3 GLY A 4 5.210 -4.162 -1.333 1.00 0.00 H HETATM 57 N SET A 5 2.266 -3.939 -0.213 1.00 0.00 N HETATM 58 CA SET A 5 1.256 -3.081 0.469 1.00 0.00 C HETATM 59 CB SET A 5 1.872 -2.606 1.822 1.00 0.00 C HETATM 60 OG SET A 5 1.957 -3.383 2.779 1.00 0.00 O HETATM 61 NT SET A 5 -1.163 -3.032 1.168 1.00 0.00 N HETATM 62 C SET A 5 -0.071 -3.878 0.623 1.00 0.00 C HETATM 63 H SET A 5 2.294 -4.956 -0.082 1.00 0.00 H HETATM 64 HA SET A 5 1.030 -2.203 -0.171 1.00 0.00 H HETATM 65 HB2 SET A 5 -0.354 -4.313 -0.358 1.00 0.00 H HETATM 66 HB3 SET A 5 0.072 -4.748 1.292 1.00 0.00 H HETATM 67 HNT2 SET A 5 -1.000 -2.386 1.947 1.00 0.00 H ATOM 68 N SER A 6 2.316 -1.335 1.878 1.00 0.00 N ATOM 69 CA SER A 6 2.949 -0.746 3.086 1.00 0.00 C ATOM 70 C SER A 6 2.997 0.795 2.905 1.00 0.00 C ATOM 71 O SER A 6 3.449 1.311 1.875 1.00 0.00 O ATOM 72 CB SER A 6 4.376 -1.301 3.327 1.00 0.00 C ATOM 73 OG SER A 6 4.910 -0.818 4.556 1.00 0.00 O ATOM 74 H SER A 6 1.996 -0.723 1.119 1.00 0.00 H ATOM 75 HA SER A 6 2.327 -1.011 3.966 1.00 0.00 H ATOM 76 HB2 SER A 6 4.361 -2.406 3.365 1.00 0.00 H ATOM 77 HB3 SER A 6 5.053 -1.030 2.495 1.00 0.00 H ATOM 78 HG SER A 6 5.786 -1.203 4.641 1.00 0.00 H ATOM 79 N GLY A 7 2.551 1.516 3.939 1.00 0.00 N ATOM 80 CA GLY A 7 2.533 2.993 3.922 1.00 0.00 C ATOM 81 C GLY A 7 2.094 3.550 5.281 1.00 0.00 C ATOM 82 O GLY A 7 2.940 3.889 6.112 1.00 0.00 O ATOM 83 H GLY A 7 2.293 0.961 4.763 1.00 0.00 H ATOM 84 HA2 GLY A 7 3.541 3.383 3.682 1.00 0.00 H ATOM 85 HA3 GLY A 7 1.869 3.361 3.115 1.00 0.00 H ATOM 86 N LYS A 8 0.769 3.659 5.481 1.00 0.00 N ATOM 87 CA LYS A 8 0.189 4.175 6.754 1.00 0.00 C ATOM 88 C LYS A 8 -1.224 3.544 6.937 1.00 0.00 C ATOM 89 O LYS A 8 -1.318 2.441 7.483 1.00 0.00 O ATOM 90 CB LYS A 8 0.301 5.731 6.842 1.00 0.00 C ATOM 91 CG LYS A 8 -0.070 6.326 8.222 1.00 0.00 C ATOM 92 CD LYS A 8 0.091 7.856 8.335 1.00 0.00 C ATOM 93 CE LYS A 8 -0.958 8.669 7.549 1.00 0.00 C ATOM 94 NZ LYS A 8 -0.769 10.119 7.756 1.00 0.00 N ATOM 95 H LYS A 8 0.213 3.199 4.747 1.00 0.00 H ATOM 96 HA LYS A 8 0.797 3.771 7.590 1.00 0.00 H ATOM 97 HB2 LYS A 8 1.339 6.037 6.610 1.00 0.00 H ATOM 98 HB3 LYS A 8 -0.314 6.193 6.047 1.00 0.00 H ATOM 99 HG2 LYS A 8 -1.103 6.040 8.501 1.00 0.00 H ATOM 100 HG3 LYS A 8 0.571 5.854 8.991 1.00 0.00 H ATOM 101 HD2 LYS A 8 0.029 8.125 9.407 1.00 0.00 H ATOM 102 HD3 LYS A 8 1.115 8.142 8.024 1.00 0.00 H ATOM 103 HE2 LYS A 8 -0.896 8.442 6.467 1.00 0.00 H ATOM 104 HE3 LYS A 8 -1.981 8.380 7.862 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -1.457 10.679 7.239 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -0.857 10.379 8.746 1.00 0.00 H ATOM 107 HZ3 LYS A 8 0.160 10.431 7.450 1.00 0.00 H ATOM 108 N LEU A 9 -2.305 4.220 6.492 1.00 0.00 N ATOM 109 CA LEU A 9 -3.702 3.710 6.610 1.00 0.00 C ATOM 110 C LEU A 9 -4.170 2.936 5.333 1.00 0.00 C ATOM 111 O LEU A 9 -4.785 1.878 5.496 1.00 0.00 O ATOM 112 CB LEU A 9 -4.621 4.870 7.113 1.00 0.00 C ATOM 113 CG LEU A 9 -6.101 4.520 7.455 1.00 0.00 C ATOM 114 CD1 LEU A 9 -6.667 5.486 8.517 1.00 0.00 C ATOM 115 CD2 LEU A 9 -7.034 4.539 6.225 1.00 0.00 C ATOM 116 H LEU A 9 -2.094 5.124 6.057 1.00 0.00 H ATOM 117 HA LEU A 9 -3.731 2.964 7.430 1.00 0.00 H ATOM 118 HB2 LEU A 9 -4.156 5.263 8.043 1.00 0.00 H ATOM 119 HB3 LEU A 9 -4.595 5.736 6.425 1.00 0.00 H ATOM 120 HG LEU A 9 -6.132 3.504 7.894 1.00 0.00 H ATOM 121 HD11 LEU A 9 -6.075 5.458 9.450 1.00 0.00 H ATOM 122 HD12 LEU A 9 -6.675 6.535 8.165 1.00 0.00 H ATOM 123 HD13 LEU A 9 -7.705 5.226 8.797 1.00 0.00 H ATOM 124 HD21 LEU A 9 -8.080 4.311 6.501 1.00 0.00 H ATOM 125 HD22 LEU A 9 -7.037 5.524 5.720 1.00 0.00 H ATOM 126 HD23 LEU A 9 -6.750 3.789 5.468 1.00 0.00 H ATOM 127 N ILE A 10 -3.918 3.424 4.093 1.00 0.00 N ATOM 128 CA ILE A 10 -4.333 2.729 2.840 1.00 0.00 C ATOM 129 C ILE A 10 -3.179 1.820 2.310 1.00 0.00 C ATOM 130 O ILE A 10 -1.989 2.117 2.469 1.00 0.00 O ATOM 131 CB ILE A 10 -4.909 3.723 1.762 1.00 0.00 C ATOM 132 CG1 ILE A 10 -4.051 4.963 1.353 1.00 0.00 C ATOM 133 CG2 ILE A 10 -6.322 4.212 2.169 1.00 0.00 C ATOM 134 CD1 ILE A 10 -2.775 4.678 0.547 1.00 0.00 C ATOM 135 H ILE A 10 -3.225 4.178 4.037 1.00 0.00 H ATOM 136 HA ILE A 10 -5.173 2.045 3.088 1.00 0.00 H ATOM 137 HB ILE A 10 -5.073 3.138 0.836 1.00 0.00 H ATOM 138 HG12 ILE A 10 -4.666 5.637 0.727 1.00 0.00 H ATOM 139 HG13 ILE A 10 -3.795 5.566 2.244 1.00 0.00 H ATOM 140 HG21 ILE A 10 -6.296 4.848 3.074 1.00 0.00 H ATOM 141 HG22 ILE A 10 -6.803 4.805 1.368 1.00 0.00 H ATOM 142 HG23 ILE A 10 -7.004 3.369 2.384 1.00 0.00 H ATOM 143 HD11 ILE A 10 -2.970 4.001 -0.305 1.00 0.00 H ATOM 144 HD12 ILE A 10 -2.351 5.610 0.131 1.00 0.00 H ATOM 145 HD13 ILE A 10 -1.982 4.222 1.164 1.00 0.00 H ATOM 146 N ASP A 11 -3.552 0.695 1.671 1.00 0.00 N ATOM 147 CA ASP A 11 -2.571 -0.269 1.100 1.00 0.00 C ATOM 148 C ASP A 11 -1.917 0.170 -0.252 1.00 0.00 C ATOM 149 O ASP A 11 -0.718 -0.069 -0.407 1.00 0.00 O ATOM 150 CB ASP A 11 -3.221 -1.686 1.042 1.00 0.00 C ATOM 151 CG ASP A 11 -2.333 -2.849 0.539 1.00 0.00 C ATOM 152 OD1 ASP A 11 -2.704 -3.531 -0.419 1.00 0.00 O ATOM 153 H ASP A 11 -4.563 0.518 1.656 1.00 0.00 H ATOM 154 HA ASP A 11 -1.738 -0.354 1.827 1.00 0.00 H ATOM 155 HB2 ASP A 11 -3.601 -1.965 2.044 1.00 0.00 H ATOM 156 HB3 ASP A 11 -4.124 -1.646 0.402 1.00 0.00 H ATOM 157 N THR A 12 -2.659 0.790 -1.201 1.00 0.00 N ATOM 158 CA THR A 12 -2.127 1.223 -2.527 1.00 0.00 C ATOM 159 C THR A 12 -0.927 2.225 -2.445 1.00 0.00 C ATOM 160 O THR A 12 -1.095 3.409 -2.138 1.00 0.00 O ATOM 161 CB THR A 12 -3.299 1.677 -3.452 1.00 0.00 C ATOM 162 OG1 THR A 12 -2.809 1.895 -4.772 1.00 0.00 O ATOM 163 CG2 THR A 12 -4.092 2.931 -3.032 1.00 0.00 C ATOM 164 H THR A 12 -3.638 0.946 -0.940 1.00 0.00 H ATOM 165 HA THR A 12 -1.761 0.299 -3.015 1.00 0.00 H ATOM 166 HB THR A 12 -4.026 0.843 -3.514 1.00 0.00 H ATOM 167 HG1 THR A 12 -2.422 1.065 -5.060 1.00 0.00 H ATOM 168 HG21 THR A 12 -3.463 3.840 -3.032 1.00 0.00 H ATOM 169 HG22 THR A 12 -4.931 3.121 -3.726 1.00 0.00 H ATOM 170 HG23 THR A 12 -4.524 2.826 -2.021 1.00 0.00 H ATOM 171 N THR A 13 0.283 1.701 -2.708 1.00 0.00 N ATOM 172 CA THR A 13 1.554 2.480 -2.666 1.00 0.00 C ATOM 173 C THR A 13 2.479 2.031 -3.838 1.00 0.00 C ATOM 174 O THR A 13 2.621 2.786 -4.805 1.00 0.00 O ATOM 175 CB THR A 13 2.253 2.469 -1.265 1.00 0.00 C ATOM 176 OG1 THR A 13 2.472 1.138 -0.799 1.00 0.00 O ATOM 177 CG2 THR A 13 1.505 3.240 -0.165 1.00 0.00 C ATOM 178 H THR A 13 0.264 0.698 -2.920 1.00 0.00 H ATOM 179 HA THR A 13 1.323 3.543 -2.882 1.00 0.00 H ATOM 180 HB THR A 13 3.241 2.956 -1.374 1.00 0.00 H ATOM 181 HG1 THR A 13 2.876 1.227 0.070 1.00 0.00 H ATOM 182 HG21 THR A 13 1.271 4.275 -0.477 1.00 0.00 H ATOM 183 HG22 THR A 13 0.550 2.752 0.106 1.00 0.00 H ATOM 184 HG23 THR A 13 2.108 3.310 0.757 1.00 0.00 H ATOM 185 N ALA A 14 3.091 0.825 -3.781 1.00 0.00 N ATOM 186 CA ALA A 14 3.990 0.321 -4.851 1.00 0.00 C ATOM 187 C ALA A 14 3.236 -0.167 -6.114 1.00 0.00 C ATOM 188 O ALA A 14 2.174 -0.789 -6.095 1.00 0.00 O ATOM 189 CB ALA A 14 4.850 -0.811 -4.261 1.00 0.00 C ATOM 190 OXT ALA A 14 3.896 0.171 -7.266 1.00 0.00 O ATOM 191 H ALA A 14 2.992 0.331 -2.887 1.00 0.00 H ATOM 192 HA ALA A 14 4.680 1.136 -5.147 1.00 0.00 H ATOM 193 HB1 ALA A 14 4.241 -1.670 -3.925 1.00 0.00 H ATOM 194 HB2 ALA A 14 5.576 -1.197 -5.001 1.00 0.00 H ATOM 195 HB3 ALA A 14 5.440 -0.468 -3.390 1.00 0.00 H ATOM 196 HXT ALA A 14 3.417 -0.132 -8.041 1.00 0.00 H TER 197 ALA A 14