HETATM 1 C ACE A 1 2.063 1.524 -4.451 1.00 0.00 C HETATM 2 O ACE A 1 2.394 0.628 -3.671 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.762 1.421 -5.240 1.00 0.00 C HETATM 4 H1 ACE A 1 0.934 1.518 -6.328 1.00 0.00 H HETATM 5 H2 ACE A 1 0.278 0.442 -5.076 1.00 0.00 H HETATM 6 H3 ACE A 1 0.040 2.202 -4.938 1.00 0.00 H ATOM 7 N ILE A 2 2.779 2.633 -4.680 1.00 0.00 N ATOM 8 CA ILE A 2 4.092 2.922 -4.016 1.00 0.00 C ATOM 9 C ILE A 2 4.155 4.323 -3.325 1.00 0.00 C ATOM 10 O ILE A 2 4.666 4.411 -2.205 1.00 0.00 O ATOM 11 CB ILE A 2 5.345 2.654 -4.931 1.00 0.00 C ATOM 12 CG1 ILE A 2 5.367 3.440 -6.278 1.00 0.00 C ATOM 13 CG2 ILE A 2 5.566 1.137 -5.158 1.00 0.00 C ATOM 14 CD1 ILE A 2 6.740 3.538 -6.963 1.00 0.00 C ATOM 15 H ILE A 2 2.328 3.305 -5.310 1.00 0.00 H ATOM 16 HA ILE A 2 4.202 2.226 -3.163 1.00 0.00 H ATOM 17 HB ILE A 2 6.226 2.990 -4.349 1.00 0.00 H ATOM 18 HG12 ILE A 2 4.632 3.007 -6.984 1.00 0.00 H ATOM 19 HG13 ILE A 2 5.023 4.476 -6.114 1.00 0.00 H ATOM 20 HG21 ILE A 2 4.762 0.688 -5.770 1.00 0.00 H ATOM 21 HG22 ILE A 2 6.523 0.928 -5.670 1.00 0.00 H ATOM 22 HG23 ILE A 2 5.595 0.581 -4.202 1.00 0.00 H ATOM 23 HD11 ILE A 2 7.130 2.548 -7.261 1.00 0.00 H ATOM 24 HD12 ILE A 2 6.682 4.153 -7.880 1.00 0.00 H ATOM 25 HD13 ILE A 2 7.491 4.012 -6.304 1.00 0.00 H ATOM 26 N TRP A 3 3.659 5.402 -3.965 1.00 0.00 N ATOM 27 CA TRP A 3 3.695 6.782 -3.400 1.00 0.00 C ATOM 28 C TRP A 3 2.629 7.038 -2.294 1.00 0.00 C ATOM 29 O TRP A 3 3.002 7.404 -1.176 1.00 0.00 O ATOM 30 CB TRP A 3 3.639 7.842 -4.541 1.00 0.00 C ATOM 31 CG TRP A 3 4.794 7.794 -5.556 1.00 0.00 C ATOM 32 CD1 TRP A 3 4.691 7.417 -6.913 1.00 0.00 C ATOM 33 CD2 TRP A 3 6.139 8.035 -5.341 1.00 0.00 C ATOM 34 NE1 TRP A 3 5.945 7.415 -7.552 1.00 0.00 N ATOM 35 CE2 TRP A 3 6.830 7.797 -6.556 1.00 0.00 C ATOM 36 CE3 TRP A 3 6.846 8.417 -4.174 1.00 0.00 C ATOM 37 CZ2 TRP A 3 8.237 7.939 -6.611 1.00 0.00 C ATOM 38 CZ3 TRP A 3 8.233 8.553 -4.252 1.00 0.00 C ATOM 39 CH2 TRP A 3 8.919 8.318 -5.452 1.00 0.00 C ATOM 40 H TRP A 3 3.287 5.210 -4.901 1.00 0.00 H ATOM 41 HA TRP A 3 4.678 6.913 -2.905 1.00 0.00 H ATOM 42 HB2 TRP A 3 2.673 7.769 -5.075 1.00 0.00 H ATOM 43 HB3 TRP A 3 3.630 8.854 -4.094 1.00 0.00 H ATOM 44 HD1 TRP A 3 3.768 7.137 -7.400 1.00 0.00 H ATOM 45 HE1 TRP A 3 6.160 7.169 -8.525 1.00 0.00 H ATOM 46 HE3 TRP A 3 6.320 8.588 -3.245 1.00 0.00 H ATOM 47 HZ2 TRP A 3 8.777 7.754 -7.528 1.00 0.00 H ATOM 48 HZ3 TRP A 3 8.788 8.841 -3.371 1.00 0.00 H ATOM 49 HH2 TRP A 3 9.993 8.429 -5.480 1.00 0.00 H ATOM 50 N GLY A 4 1.329 6.858 -2.602 1.00 0.00 N ATOM 51 CA GLY A 4 0.236 7.066 -1.622 1.00 0.00 C ATOM 52 C GLY A 4 -0.097 5.769 -0.860 1.00 0.00 C ATOM 53 O GLY A 4 0.676 5.351 0.007 1.00 0.00 O ATOM 54 H GLY A 4 1.175 6.509 -3.554 1.00 0.00 H ATOM 55 HA2 GLY A 4 0.494 7.857 -0.892 1.00 0.00 H ATOM 56 HA3 GLY A 4 -0.649 7.460 -2.157 1.00 0.00 H ATOM 57 N ASP A 5 -1.249 5.151 -1.179 1.00 0.00 N ATOM 58 CA ASP A 5 -1.689 3.880 -0.536 1.00 0.00 C ATOM 59 C ASP A 5 -1.220 2.629 -1.373 1.00 0.00 C ATOM 60 O ASP A 5 -0.807 2.763 -2.532 1.00 0.00 O ATOM 61 CB ASP A 5 -3.234 3.968 -0.321 1.00 0.00 C ATOM 62 CG ASP A 5 -3.822 2.878 0.597 1.00 0.00 C ATOM 63 OD1 ASP A 5 -4.413 1.910 0.111 1.00 0.00 O ATOM 64 H ASP A 5 -1.783 5.592 -1.936 1.00 0.00 H ATOM 65 HA ASP A 5 -1.220 3.851 0.470 1.00 0.00 H ATOM 66 HB2 ASP A 5 -3.513 4.956 0.097 1.00 0.00 H ATOM 67 HB3 ASP A 5 -3.751 3.926 -1.299 1.00 0.00 H ATOM 68 N SER A 6 -1.278 1.403 -0.801 1.00 0.00 N ATOM 69 CA SER A 6 -0.858 0.161 -1.504 1.00 0.00 C ATOM 70 C SER A 6 -1.964 -0.387 -2.457 1.00 0.00 C ATOM 71 O SER A 6 -1.761 -0.354 -3.673 1.00 0.00 O ATOM 72 CB SER A 6 -0.364 -0.867 -0.459 1.00 0.00 C ATOM 73 OG SER A 6 0.332 -1.935 -1.093 1.00 0.00 O ATOM 74 H SER A 6 -1.770 1.328 0.095 1.00 0.00 H ATOM 75 HA SER A 6 0.028 0.399 -2.127 1.00 0.00 H ATOM 76 HB2 SER A 6 0.313 -0.395 0.277 1.00 0.00 H ATOM 77 HB3 SER A 6 -1.205 -1.274 0.131 1.00 0.00 H ATOM 78 HG SER A 6 -0.273 -2.312 -1.736 1.00 0.00 H ATOM 79 N GLY A 7 -3.105 -0.881 -1.929 1.00 0.00 N ATOM 80 CA GLY A 7 -4.208 -1.422 -2.767 1.00 0.00 C ATOM 81 C GLY A 7 -4.850 -2.740 -2.283 1.00 0.00 C ATOM 82 O GLY A 7 -6.080 -2.830 -2.237 1.00 0.00 O ATOM 83 H GLY A 7 -3.149 -0.883 -0.905 1.00 0.00 H ATOM 84 HA2 GLY A 7 -4.995 -0.647 -2.830 1.00 0.00 H ATOM 85 HA3 GLY A 7 -3.890 -1.578 -3.816 1.00 0.00 H ATOM 86 N LYS A 8 -4.035 -3.761 -1.954 1.00 0.00 N ATOM 87 CA LYS A 8 -4.533 -5.091 -1.504 1.00 0.00 C ATOM 88 C LYS A 8 -5.140 -5.120 -0.067 1.00 0.00 C ATOM 89 O LYS A 8 -6.308 -5.498 0.071 1.00 0.00 O ATOM 90 CB LYS A 8 -3.401 -6.137 -1.737 1.00 0.00 C ATOM 91 CG LYS A 8 -3.745 -7.625 -1.481 1.00 0.00 C ATOM 92 CD LYS A 8 -4.803 -8.220 -2.435 1.00 0.00 C ATOM 93 CE LYS A 8 -5.062 -9.714 -2.170 1.00 0.00 C ATOM 94 NZ LYS A 8 -6.084 -10.246 -3.096 1.00 0.00 N ATOM 95 H LYS A 8 -3.040 -3.515 -1.931 1.00 0.00 H ATOM 96 HA LYS A 8 -5.352 -5.373 -2.195 1.00 0.00 H ATOM 97 HB2 LYS A 8 -3.021 -6.050 -2.774 1.00 0.00 H ATOM 98 HB3 LYS A 8 -2.531 -5.876 -1.102 1.00 0.00 H ATOM 99 HG2 LYS A 8 -2.811 -8.212 -1.566 1.00 0.00 H ATOM 100 HG3 LYS A 8 -4.069 -7.754 -0.430 1.00 0.00 H ATOM 101 HD2 LYS A 8 -5.750 -7.655 -2.332 1.00 0.00 H ATOM 102 HD3 LYS A 8 -4.474 -8.071 -3.483 1.00 0.00 H ATOM 103 HE2 LYS A 8 -4.124 -10.294 -2.281 1.00 0.00 H ATOM 104 HE3 LYS A 8 -5.395 -9.867 -1.125 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -6.980 -9.754 -2.999 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -5.798 -10.151 -4.077 1.00 0.00 H ATOM 107 HZ3 LYS A 8 -6.272 -11.243 -2.935 1.00 0.00 H ATOM 108 N LEU A 9 -4.369 -4.763 0.982 1.00 0.00 N ATOM 109 CA LEU A 9 -4.865 -4.779 2.389 1.00 0.00 C ATOM 110 C LEU A 9 -4.241 -3.615 3.214 1.00 0.00 C ATOM 111 O LEU A 9 -4.959 -2.666 3.542 1.00 0.00 O ATOM 112 CB LEU A 9 -4.685 -6.204 3.006 1.00 0.00 C ATOM 113 CG LEU A 9 -5.271 -6.441 4.427 1.00 0.00 C ATOM 114 CD1 LEU A 9 -6.810 -6.347 4.468 1.00 0.00 C ATOM 115 CD2 LEU A 9 -4.819 -7.808 4.975 1.00 0.00 C ATOM 116 H LEU A 9 -3.436 -4.421 0.726 1.00 0.00 H ATOM 117 HA LEU A 9 -5.954 -4.574 2.371 1.00 0.00 H ATOM 118 HB2 LEU A 9 -5.124 -6.955 2.321 1.00 0.00 H ATOM 119 HB3 LEU A 9 -3.603 -6.443 3.019 1.00 0.00 H ATOM 120 HG LEU A 9 -4.866 -5.669 5.109 1.00 0.00 H ATOM 121 HD11 LEU A 9 -7.290 -7.077 3.789 1.00 0.00 H ATOM 122 HD12 LEU A 9 -7.205 -6.536 5.484 1.00 0.00 H ATOM 123 HD13 LEU A 9 -7.169 -5.343 4.176 1.00 0.00 H ATOM 124 HD21 LEU A 9 -5.185 -8.648 4.355 1.00 0.00 H ATOM 125 HD22 LEU A 9 -3.717 -7.887 5.017 1.00 0.00 H ATOM 126 HD23 LEU A 9 -5.186 -7.978 6.005 1.00 0.00 H ATOM 127 N ILE A 10 -2.934 -3.677 3.551 1.00 0.00 N ATOM 128 CA ILE A 10 -2.244 -2.623 4.350 1.00 0.00 C ATOM 129 C ILE A 10 -1.881 -1.394 3.460 1.00 0.00 C ATOM 130 O ILE A 10 -0.928 -1.441 2.677 1.00 0.00 O ATOM 131 CB ILE A 10 -1.044 -3.220 5.178 1.00 0.00 C ATOM 132 CG1 ILE A 10 -0.350 -2.207 6.139 1.00 0.00 C ATOM 133 CG2 ILE A 10 0.054 -3.928 4.338 1.00 0.00 C ATOM 134 CD1 ILE A 10 -1.245 -1.588 7.224 1.00 0.00 C ATOM 135 H ILE A 10 -2.444 -4.516 3.223 1.00 0.00 H ATOM 136 HA ILE A 10 -2.968 -2.290 5.121 1.00 0.00 H ATOM 137 HB ILE A 10 -1.474 -4.010 5.825 1.00 0.00 H ATOM 138 HG12 ILE A 10 0.493 -2.706 6.656 1.00 0.00 H ATOM 139 HG13 ILE A 10 0.121 -1.393 5.556 1.00 0.00 H ATOM 140 HG21 ILE A 10 -0.364 -4.722 3.693 1.00 0.00 H ATOM 141 HG22 ILE A 10 0.597 -3.226 3.678 1.00 0.00 H ATOM 142 HG23 ILE A 10 0.811 -4.416 4.980 1.00 0.00 H ATOM 143 HD11 ILE A 10 -0.655 -0.946 7.904 1.00 0.00 H ATOM 144 HD12 ILE A 10 -2.040 -0.953 6.794 1.00 0.00 H ATOM 145 HD13 ILE A 10 -1.731 -2.363 7.845 1.00 0.00 H HETATM 146 N SET A 11 -2.645 -0.293 3.604 1.00 0.00 N HETATM 147 CA SET A 11 -2.405 0.961 2.832 1.00 0.00 C HETATM 148 CB SET A 11 -1.095 1.717 3.234 1.00 0.00 C HETATM 149 OG SET A 11 -0.361 2.137 2.335 1.00 0.00 O HETATM 150 NT SET A 11 -3.578 3.015 1.909 1.00 0.00 N HETATM 151 C SET A 11 -3.676 1.858 2.852 1.00 0.00 C HETATM 152 H SET A 11 -3.431 -0.395 4.256 1.00 0.00 H HETATM 153 HA SET A 11 -2.273 0.649 1.777 1.00 0.00 H HETATM 154 HB2 SET A 11 -4.572 1.240 2.623 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.862 2.218 3.883 1.00 0.00 H HETATM 156 HNT2 SET A 11 -3.069 3.888 2.122 1.00 0.00 H ATOM 157 N THR A 12 -0.797 1.871 4.543 1.00 0.00 N ATOM 158 CA THR A 12 0.439 2.564 5.034 1.00 0.00 C ATOM 159 C THR A 12 1.811 2.028 4.493 1.00 0.00 C ATOM 160 O THR A 12 2.737 2.821 4.299 1.00 0.00 O ATOM 161 CB THR A 12 0.390 2.651 6.595 1.00 0.00 C ATOM 162 OG1 THR A 12 -0.848 3.212 7.030 1.00 0.00 O ATOM 163 CG2 THR A 12 1.491 3.511 7.242 1.00 0.00 C ATOM 164 H THR A 12 -1.580 1.664 5.178 1.00 0.00 H ATOM 165 HA THR A 12 0.375 3.587 4.643 1.00 0.00 H ATOM 166 HB THR A 12 0.467 1.627 7.011 1.00 0.00 H ATOM 167 HG1 THR A 12 -0.779 3.298 7.984 1.00 0.00 H ATOM 168 HG21 THR A 12 2.501 3.107 7.044 1.00 0.00 H ATOM 169 HG22 THR A 12 1.473 4.551 6.865 1.00 0.00 H ATOM 170 HG23 THR A 12 1.377 3.557 8.340 1.00 0.00 H ATOM 171 N THR A 13 1.930 0.712 4.255 1.00 0.00 N ATOM 172 CA THR A 13 3.161 0.077 3.707 1.00 0.00 C ATOM 173 C THR A 13 2.940 -0.066 2.167 1.00 0.00 C ATOM 174 O THR A 13 2.473 -1.103 1.683 1.00 0.00 O ATOM 175 CB THR A 13 3.445 -1.262 4.456 1.00 0.00 C ATOM 176 OG1 THR A 13 3.555 -1.036 5.859 1.00 0.00 O ATOM 177 CG2 THR A 13 4.744 -1.960 4.019 1.00 0.00 C ATOM 178 H THR A 13 1.019 0.249 4.273 1.00 0.00 H ATOM 179 HA THR A 13 4.041 0.729 3.888 1.00 0.00 H ATOM 180 HB THR A 13 2.603 -1.961 4.288 1.00 0.00 H ATOM 181 HG1 THR A 13 4.322 -0.471 5.978 1.00 0.00 H ATOM 182 HG21 THR A 13 4.909 -2.892 4.590 1.00 0.00 H ATOM 183 HG22 THR A 13 4.721 -2.241 2.949 1.00 0.00 H ATOM 184 HG23 THR A 13 5.631 -1.318 4.173 1.00 0.00 H ATOM 185 N ALA A 14 3.280 1.000 1.417 1.00 0.00 N ATOM 186 CA ALA A 14 3.123 1.050 -0.057 1.00 0.00 C ATOM 187 C ALA A 14 4.486 0.868 -0.756 1.00 0.00 C ATOM 188 O ALA A 14 5.448 1.622 -0.598 1.00 0.00 O ATOM 189 CB ALA A 14 2.460 2.391 -0.422 1.00 0.00 C ATOM 190 OXT ALA A 14 4.501 -0.223 -1.588 1.00 0.00 O ATOM 191 H ALA A 14 3.603 1.813 1.953 1.00 0.00 H ATOM 192 HA ALA A 14 2.436 0.254 -0.404 1.00 0.00 H ATOM 193 HB1 ALA A 14 3.085 3.263 -0.152 1.00 0.00 H ATOM 194 HB2 ALA A 14 2.255 2.462 -1.506 1.00 0.00 H ATOM 195 HB3 ALA A 14 1.486 2.519 0.087 1.00 0.00 H ATOM 196 HXT ALA A 14 3.656 -0.677 -1.602 1.00 0.00 H TER 197 ALA A 14