HETATM 1 C ACE A 1 -6.071 1.639 -11.243 1.00 0.00 C HETATM 2 O ACE A 1 -7.234 1.930 -11.533 1.00 0.00 O HETATM 3 CH3 ACE A 1 -4.905 2.379 -11.890 1.00 0.00 C HETATM 4 H1 ACE A 1 -5.266 3.155 -12.590 1.00 0.00 H HETATM 5 H2 ACE A 1 -4.277 2.887 -11.134 1.00 0.00 H HETATM 6 H3 ACE A 1 -4.259 1.692 -12.467 1.00 0.00 H ATOM 7 N ILE A 2 -5.729 0.679 -10.374 1.00 0.00 N ATOM 8 CA ILE A 2 -6.727 -0.159 -9.634 1.00 0.00 C ATOM 9 C ILE A 2 -6.401 -0.198 -8.106 1.00 0.00 C ATOM 10 O ILE A 2 -7.247 0.211 -7.304 1.00 0.00 O ATOM 11 CB ILE A 2 -7.008 -1.569 -10.279 1.00 0.00 C ATOM 12 CG1 ILE A 2 -5.749 -2.443 -10.575 1.00 0.00 C ATOM 13 CG2 ILE A 2 -7.899 -1.438 -11.540 1.00 0.00 C ATOM 14 CD1 ILE A 2 -6.022 -3.935 -10.832 1.00 0.00 C ATOM 15 H ILE A 2 -4.719 0.579 -10.227 1.00 0.00 H ATOM 16 HA ILE A 2 -7.700 0.373 -9.658 1.00 0.00 H ATOM 17 HB ILE A 2 -7.621 -2.126 -9.543 1.00 0.00 H ATOM 18 HG12 ILE A 2 -5.188 -2.021 -11.430 1.00 0.00 H ATOM 19 HG13 ILE A 2 -5.046 -2.392 -9.726 1.00 0.00 H ATOM 20 HG21 ILE A 2 -8.817 -0.854 -11.336 1.00 0.00 H ATOM 21 HG22 ILE A 2 -7.371 -0.931 -12.370 1.00 0.00 H ATOM 22 HG23 ILE A 2 -8.236 -2.420 -11.919 1.00 0.00 H ATOM 23 HD11 ILE A 2 -6.629 -4.096 -11.741 1.00 0.00 H ATOM 24 HD12 ILE A 2 -5.078 -4.492 -10.972 1.00 0.00 H ATOM 25 HD13 ILE A 2 -6.556 -4.404 -9.985 1.00 0.00 H ATOM 26 N TRP A 3 -5.207 -0.676 -7.696 1.00 0.00 N ATOM 27 CA TRP A 3 -4.799 -0.752 -6.267 1.00 0.00 C ATOM 28 C TRP A 3 -4.208 0.603 -5.764 1.00 0.00 C ATOM 29 O TRP A 3 -4.821 1.232 -4.897 1.00 0.00 O ATOM 30 CB TRP A 3 -3.876 -1.993 -6.090 1.00 0.00 C ATOM 31 CG TRP A 3 -3.452 -2.368 -4.657 1.00 0.00 C ATOM 32 CD1 TRP A 3 -4.263 -2.358 -3.497 1.00 0.00 C ATOM 33 CD2 TRP A 3 -2.237 -2.896 -4.247 1.00 0.00 C ATOM 34 NE1 TRP A 3 -3.579 -2.858 -2.373 1.00 0.00 N ATOM 35 CE2 TRP A 3 -2.328 -3.191 -2.862 1.00 0.00 C ATOM 36 CE3 TRP A 3 -1.050 -3.199 -4.966 1.00 0.00 C ATOM 37 CZ2 TRP A 3 -1.236 -3.790 -2.190 1.00 0.00 C ATOM 38 CZ3 TRP A 3 0.013 -3.787 -4.280 1.00 0.00 C ATOM 39 CH2 TRP A 3 -0.076 -4.073 -2.912 1.00 0.00 C ATOM 40 H TRP A 3 -4.594 -0.997 -8.453 1.00 0.00 H ATOM 41 HA TRP A 3 -5.703 -0.955 -5.658 1.00 0.00 H ATOM 42 HB2 TRP A 3 -4.377 -2.884 -6.515 1.00 0.00 H ATOM 43 HB3 TRP A 3 -2.971 -1.863 -6.713 1.00 0.00 H ATOM 44 HD1 TRP A 3 -5.291 -2.028 -3.472 1.00 0.00 H ATOM 45 HE1 TRP A 3 -3.922 -2.951 -1.410 1.00 0.00 H ATOM 46 HE3 TRP A 3 -0.967 -2.991 -6.023 1.00 0.00 H ATOM 47 HZ2 TRP A 3 -1.297 -4.024 -1.136 1.00 0.00 H ATOM 48 HZ3 TRP A 3 0.922 -4.023 -4.815 1.00 0.00 H ATOM 49 HH2 TRP A 3 0.767 -4.524 -2.409 1.00 0.00 H ATOM 50 N GLY A 4 -3.044 1.044 -6.288 1.00 0.00 N ATOM 51 CA GLY A 4 -2.409 2.319 -5.873 1.00 0.00 C ATOM 52 C GLY A 4 -1.598 2.187 -4.570 1.00 0.00 C ATOM 53 O GLY A 4 -0.429 1.792 -4.604 1.00 0.00 O ATOM 54 H GLY A 4 -2.649 0.447 -7.022 1.00 0.00 H ATOM 55 HA2 GLY A 4 -1.725 2.644 -6.678 1.00 0.00 H ATOM 56 HA3 GLY A 4 -3.162 3.130 -5.804 1.00 0.00 H ATOM 57 N ASP A 5 -2.234 2.529 -3.436 1.00 0.00 N ATOM 58 CA ASP A 5 -1.598 2.439 -2.093 1.00 0.00 C ATOM 59 C ASP A 5 -1.670 0.968 -1.528 1.00 0.00 C ATOM 60 O ASP A 5 -2.477 0.153 -1.990 1.00 0.00 O ATOM 61 CB ASP A 5 -2.306 3.488 -1.176 1.00 0.00 C ATOM 62 CG ASP A 5 -1.679 3.684 0.220 1.00 0.00 C ATOM 63 OD1 ASP A 5 -2.174 3.126 1.203 1.00 0.00 O ATOM 64 H ASP A 5 -3.224 2.770 -3.556 1.00 0.00 H ATOM 65 HA ASP A 5 -0.545 2.765 -2.229 1.00 0.00 H ATOM 66 HB2 ASP A 5 -2.346 4.474 -1.681 1.00 0.00 H ATOM 67 HB3 ASP A 5 -3.367 3.203 -1.039 1.00 0.00 H ATOM 68 N SER A 6 -0.850 0.624 -0.509 1.00 0.00 N ATOM 69 CA SER A 6 -0.840 -0.736 0.101 1.00 0.00 C ATOM 70 C SER A 6 -2.094 -1.107 0.955 1.00 0.00 C ATOM 71 O SER A 6 -2.635 -2.203 0.783 1.00 0.00 O ATOM 72 CB SER A 6 0.441 -0.913 0.950 1.00 0.00 C ATOM 73 OG SER A 6 1.616 -0.700 0.177 1.00 0.00 O ATOM 74 H SER A 6 -0.246 1.350 -0.109 1.00 0.00 H ATOM 75 HA SER A 6 -0.771 -1.471 -0.722 1.00 0.00 H ATOM 76 HB2 SER A 6 0.441 -0.220 1.813 1.00 0.00 H ATOM 77 HB3 SER A 6 0.483 -1.931 1.381 1.00 0.00 H ATOM 78 HG SER A 6 2.356 -0.705 0.791 1.00 0.00 H ATOM 79 N GLY A 7 -2.535 -0.221 1.873 1.00 0.00 N ATOM 80 CA GLY A 7 -3.700 -0.477 2.757 1.00 0.00 C ATOM 81 C GLY A 7 -3.382 -1.282 4.041 1.00 0.00 C ATOM 82 O GLY A 7 -4.076 -2.257 4.336 1.00 0.00 O ATOM 83 H GLY A 7 -2.032 0.672 1.889 1.00 0.00 H ATOM 84 HA2 GLY A 7 -4.135 0.495 3.053 1.00 0.00 H ATOM 85 HA3 GLY A 7 -4.507 -0.984 2.193 1.00 0.00 H ATOM 86 N LYS A 8 -2.348 -0.864 4.799 1.00 0.00 N ATOM 87 CA LYS A 8 -1.919 -1.533 6.057 1.00 0.00 C ATOM 88 C LYS A 8 -1.103 -0.509 6.902 1.00 0.00 C ATOM 89 O LYS A 8 -1.631 -0.002 7.896 1.00 0.00 O ATOM 90 CB LYS A 8 -1.205 -2.895 5.776 1.00 0.00 C ATOM 91 CG LYS A 8 -0.701 -3.723 6.984 1.00 0.00 C ATOM 92 CD LYS A 8 -1.775 -4.298 7.937 1.00 0.00 C ATOM 93 CE LYS A 8 -2.144 -3.381 9.122 1.00 0.00 C ATOM 94 NZ LYS A 8 -3.137 -4.029 10.003 1.00 0.00 N ATOM 95 H LYS A 8 -1.863 -0.038 4.432 1.00 0.00 H ATOM 96 HA LYS A 8 -2.835 -1.762 6.635 1.00 0.00 H ATOM 97 HB2 LYS A 8 -1.877 -3.541 5.179 1.00 0.00 H ATOM 98 HB3 LYS A 8 -0.343 -2.713 5.106 1.00 0.00 H ATOM 99 HG2 LYS A 8 -0.139 -4.579 6.566 1.00 0.00 H ATOM 100 HG3 LYS A 8 0.063 -3.156 7.549 1.00 0.00 H ATOM 101 HD2 LYS A 8 -2.677 -4.580 7.360 1.00 0.00 H ATOM 102 HD3 LYS A 8 -1.387 -5.253 8.342 1.00 0.00 H ATOM 103 HE2 LYS A 8 -1.239 -3.128 9.707 1.00 0.00 H ATOM 104 HE3 LYS A 8 -2.550 -2.417 8.767 1.00 0.00 H ATOM 105 HZ1 LYS A 8 -4.006 -4.249 9.503 1.00 0.00 H ATOM 106 HZ2 LYS A 8 -2.786 -4.913 10.390 1.00 0.00 H ATOM 107 HZ3 LYS A 8 -3.394 -3.434 10.800 1.00 0.00 H ATOM 108 N LEU A 9 0.163 -0.217 6.525 1.00 0.00 N ATOM 109 CA LEU A 9 1.038 0.745 7.253 1.00 0.00 C ATOM 110 C LEU A 9 1.742 1.680 6.223 1.00 0.00 C ATOM 111 O LEU A 9 1.364 2.851 6.125 1.00 0.00 O ATOM 112 CB LEU A 9 2.025 0.023 8.225 1.00 0.00 C ATOM 113 CG LEU A 9 1.421 -0.696 9.466 1.00 0.00 C ATOM 114 CD1 LEU A 9 2.487 -1.565 10.160 1.00 0.00 C ATOM 115 CD2 LEU A 9 0.801 0.279 10.487 1.00 0.00 C ATOM 116 H LEU A 9 0.478 -0.703 5.679 1.00 0.00 H ATOM 117 HA LEU A 9 0.414 1.421 7.870 1.00 0.00 H ATOM 118 HB2 LEU A 9 2.616 -0.707 7.639 1.00 0.00 H ATOM 119 HB3 LEU A 9 2.775 0.756 8.584 1.00 0.00 H ATOM 120 HG LEU A 9 0.623 -1.379 9.122 1.00 0.00 H ATOM 121 HD11 LEU A 9 2.909 -2.321 9.472 1.00 0.00 H ATOM 122 HD12 LEU A 9 3.332 -0.963 10.543 1.00 0.00 H ATOM 123 HD13 LEU A 9 2.066 -2.122 11.018 1.00 0.00 H ATOM 124 HD21 LEU A 9 0.386 -0.254 11.362 1.00 0.00 H ATOM 125 HD22 LEU A 9 1.540 1.009 10.867 1.00 0.00 H ATOM 126 HD23 LEU A 9 -0.034 0.857 10.051 1.00 0.00 H ATOM 127 N ILE A 10 2.739 1.184 5.455 1.00 0.00 N ATOM 128 CA ILE A 10 3.479 1.994 4.443 1.00 0.00 C ATOM 129 C ILE A 10 2.731 1.960 3.074 1.00 0.00 C ATOM 130 O ILE A 10 2.723 0.934 2.387 1.00 0.00 O ATOM 131 CB ILE A 10 4.997 1.577 4.388 1.00 0.00 C ATOM 132 CG1 ILE A 10 5.888 2.508 3.512 1.00 0.00 C ATOM 133 CG2 ILE A 10 5.268 0.103 3.980 1.00 0.00 C ATOM 134 CD1 ILE A 10 6.007 3.960 4.003 1.00 0.00 C ATOM 135 H ILE A 10 2.964 0.198 5.625 1.00 0.00 H ATOM 136 HA ILE A 10 3.490 3.041 4.809 1.00 0.00 H ATOM 137 HB ILE A 10 5.386 1.669 5.422 1.00 0.00 H ATOM 138 HG12 ILE A 10 6.916 2.099 3.463 1.00 0.00 H ATOM 139 HG13 ILE A 10 5.533 2.504 2.463 1.00 0.00 H ATOM 140 HG21 ILE A 10 6.337 -0.161 4.086 1.00 0.00 H ATOM 141 HG22 ILE A 10 4.707 -0.611 4.609 1.00 0.00 H ATOM 142 HG23 ILE A 10 4.990 -0.101 2.930 1.00 0.00 H ATOM 143 HD11 ILE A 10 6.347 4.011 5.054 1.00 0.00 H ATOM 144 HD12 ILE A 10 6.740 4.524 3.398 1.00 0.00 H ATOM 145 HD13 ILE A 10 5.047 4.503 3.933 1.00 0.00 H HETATM 146 N SET A 11 2.114 3.092 2.682 1.00 0.00 N HETATM 147 CA SET A 11 1.367 3.201 1.395 1.00 0.00 C HETATM 148 CB SET A 11 2.277 3.228 0.123 1.00 0.00 C HETATM 149 OG SET A 11 1.993 2.479 -0.816 1.00 0.00 O HETATM 150 NT SET A 11 -0.561 4.422 0.273 1.00 0.00 N HETATM 151 C SET A 11 0.355 4.384 1.455 1.00 0.00 C HETATM 152 H SET A 11 2.164 3.866 3.355 1.00 0.00 H HETATM 153 HA SET A 11 0.748 2.285 1.314 1.00 0.00 H HETATM 154 HB2 SET A 11 -0.227 4.328 2.402 1.00 0.00 H HETATM 155 HB3 SET A 11 0.901 5.343 1.543 1.00 0.00 H HETATM 156 HNT2 SET A 11 -0.298 4.805 -0.649 1.00 0.00 H ATOM 157 N THR A 12 3.341 4.061 0.087 1.00 0.00 N ATOM 158 CA THR A 12 4.267 4.156 -1.087 1.00 0.00 C ATOM 159 C THR A 12 5.000 2.862 -1.587 1.00 0.00 C ATOM 160 O THR A 12 5.372 2.804 -2.763 1.00 0.00 O ATOM 161 CB THR A 12 5.219 5.378 -0.908 1.00 0.00 C ATOM 162 OG1 THR A 12 5.857 5.679 -2.145 1.00 0.00 O ATOM 163 CG2 THR A 12 6.315 5.228 0.165 1.00 0.00 C ATOM 164 H THR A 12 3.382 4.732 0.865 1.00 0.00 H ATOM 165 HA THR A 12 3.611 4.407 -1.933 1.00 0.00 H ATOM 166 HB THR A 12 4.611 6.264 -0.641 1.00 0.00 H ATOM 167 HG1 THR A 12 6.343 4.889 -2.394 1.00 0.00 H ATOM 168 HG21 THR A 12 6.932 6.142 0.239 1.00 0.00 H ATOM 169 HG22 THR A 12 5.881 5.048 1.165 1.00 0.00 H ATOM 170 HG23 THR A 12 7.000 4.388 -0.054 1.00 0.00 H ATOM 171 N THR A 13 5.208 1.859 -0.718 1.00 0.00 N ATOM 172 CA THR A 13 5.861 0.572 -1.086 1.00 0.00 C ATOM 173 C THR A 13 4.709 -0.469 -1.254 1.00 0.00 C ATOM 174 O THR A 13 4.385 -1.212 -0.321 1.00 0.00 O ATOM 175 CB THR A 13 6.939 0.202 -0.020 1.00 0.00 C ATOM 176 OG1 THR A 13 7.900 1.249 0.095 1.00 0.00 O ATOM 177 CG2 THR A 13 7.724 -1.082 -0.340 1.00 0.00 C ATOM 178 H THR A 13 4.701 1.997 0.159 1.00 0.00 H ATOM 179 HA THR A 13 6.400 0.669 -2.051 1.00 0.00 H ATOM 180 HB THR A 13 6.452 0.074 0.966 1.00 0.00 H ATOM 181 HG1 THR A 13 8.562 0.934 0.715 1.00 0.00 H ATOM 182 HG21 THR A 13 7.063 -1.966 -0.393 1.00 0.00 H ATOM 183 HG22 THR A 13 8.256 -1.008 -1.306 1.00 0.00 H ATOM 184 HG23 THR A 13 8.481 -1.296 0.437 1.00 0.00 H ATOM 185 N ALA A 14 4.099 -0.494 -2.457 1.00 0.00 N ATOM 186 CA ALA A 14 2.970 -1.397 -2.787 1.00 0.00 C ATOM 187 C ALA A 14 3.399 -2.400 -3.876 1.00 0.00 C ATOM 188 O ALA A 14 3.598 -2.101 -5.054 1.00 0.00 O ATOM 189 CB ALA A 14 1.773 -0.530 -3.227 1.00 0.00 C ATOM 190 OXT ALA A 14 3.535 -3.672 -3.382 1.00 0.00 O ATOM 191 H ALA A 14 4.442 0.206 -3.124 1.00 0.00 H ATOM 192 HA ALA A 14 2.641 -1.970 -1.897 1.00 0.00 H ATOM 193 HB1 ALA A 14 1.475 0.188 -2.440 1.00 0.00 H ATOM 194 HB2 ALA A 14 1.986 0.058 -4.139 1.00 0.00 H ATOM 195 HB3 ALA A 14 0.878 -1.144 -3.438 1.00 0.00 H ATOM 196 HXT ALA A 14 3.809 -4.283 -4.069 1.00 0.00 H TER 197 ALA A 14