HETATM 1 C ACE A 1 -0.505 -6.039 5.830 1.00 0.00 C HETATM 2 O ACE A 1 -0.580 -7.188 6.269 1.00 0.00 O HETATM 3 CH3 ACE A 1 -1.215 -5.656 4.535 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.718 -6.531 4.085 1.00 0.00 H HETATM 5 H2 ACE A 1 -1.989 -4.886 4.710 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.507 -5.264 3.781 1.00 0.00 H ATOM 7 N ILE A 2 0.183 -5.053 6.419 1.00 0.00 N ATOM 8 CA ILE A 2 0.943 -5.234 7.692 1.00 0.00 C ATOM 9 C ILE A 2 0.863 -3.904 8.507 1.00 0.00 C ATOM 10 O ILE A 2 0.037 -3.804 9.419 1.00 0.00 O ATOM 11 CB ILE A 2 2.356 -5.905 7.488 1.00 0.00 C ATOM 12 CG1 ILE A 2 3.044 -6.206 8.851 1.00 0.00 C ATOM 13 CG2 ILE A 2 3.312 -5.171 6.508 1.00 0.00 C ATOM 14 CD1 ILE A 2 4.294 -7.094 8.788 1.00 0.00 C ATOM 15 H ILE A 2 0.142 -4.153 5.930 1.00 0.00 H ATOM 16 HA ILE A 2 0.371 -5.957 8.308 1.00 0.00 H ATOM 17 HB ILE A 2 2.151 -6.889 7.022 1.00 0.00 H ATOM 18 HG12 ILE A 2 3.307 -5.260 9.360 1.00 0.00 H ATOM 19 HG13 ILE A 2 2.318 -6.701 9.525 1.00 0.00 H ATOM 20 HG21 ILE A 2 4.161 -5.814 6.212 1.00 0.00 H ATOM 21 HG22 ILE A 2 2.807 -4.878 5.569 1.00 0.00 H ATOM 22 HG23 ILE A 2 3.746 -4.258 6.951 1.00 0.00 H ATOM 23 HD11 ILE A 2 5.115 -6.603 8.234 1.00 0.00 H ATOM 24 HD12 ILE A 2 4.673 -7.313 9.802 1.00 0.00 H ATOM 25 HD13 ILE A 2 4.082 -8.059 8.293 1.00 0.00 H ATOM 26 N TRP A 3 1.693 -2.896 8.181 1.00 0.00 N ATOM 27 CA TRP A 3 1.706 -1.576 8.881 1.00 0.00 C ATOM 28 C TRP A 3 0.418 -0.699 8.739 1.00 0.00 C ATOM 29 O TRP A 3 -0.063 -0.159 9.739 1.00 0.00 O ATOM 30 CB TRP A 3 3.016 -0.798 8.551 1.00 0.00 C ATOM 31 CG TRP A 3 3.266 -0.340 7.099 1.00 0.00 C ATOM 32 CD1 TRP A 3 3.883 -1.107 6.086 1.00 0.00 C ATOM 33 CD2 TRP A 3 3.009 0.893 6.519 1.00 0.00 C ATOM 34 NE1 TRP A 3 4.011 -0.387 4.884 1.00 0.00 N ATOM 35 CE2 TRP A 3 3.470 0.853 5.178 1.00 0.00 C ATOM 36 CE3 TRP A 3 2.417 2.075 7.038 1.00 0.00 C ATOM 37 CZ2 TRP A 3 3.346 1.992 4.349 1.00 0.00 C ATOM 38 CZ3 TRP A 3 2.303 3.185 6.199 1.00 0.00 C ATOM 39 CH2 TRP A 3 2.764 3.145 4.877 1.00 0.00 C ATOM 40 H TRP A 3 2.420 -3.167 7.508 1.00 0.00 H ATOM 41 HA TRP A 3 1.783 -1.804 9.963 1.00 0.00 H ATOM 42 HB2 TRP A 3 3.068 0.088 9.211 1.00 0.00 H ATOM 43 HB3 TRP A 3 3.879 -1.411 8.873 1.00 0.00 H ATOM 44 HD1 TRP A 3 4.240 -2.117 6.216 1.00 0.00 H ATOM 45 HE1 TRP A 3 4.414 -0.702 3.994 1.00 0.00 H ATOM 46 HE3 TRP A 3 2.062 2.120 8.057 1.00 0.00 H ATOM 47 HZ2 TRP A 3 3.689 1.971 3.325 1.00 0.00 H ATOM 48 HZ3 TRP A 3 1.853 4.091 6.578 1.00 0.00 H ATOM 49 HH2 TRP A 3 2.661 4.020 4.252 1.00 0.00 H ATOM 50 N GLY A 4 -0.119 -0.559 7.516 1.00 0.00 N ATOM 51 CA GLY A 4 -1.331 0.245 7.254 1.00 0.00 C ATOM 52 C GLY A 4 -1.552 0.331 5.737 1.00 0.00 C ATOM 53 O GLY A 4 -2.279 -0.488 5.168 1.00 0.00 O ATOM 54 H GLY A 4 0.402 -1.038 6.773 1.00 0.00 H ATOM 55 HA2 GLY A 4 -2.210 -0.230 7.730 1.00 0.00 H ATOM 56 HA3 GLY A 4 -1.245 1.253 7.705 1.00 0.00 H ATOM 57 N ASP A 5 -0.916 1.327 5.098 1.00 0.00 N ATOM 58 CA ASP A 5 -0.994 1.526 3.624 1.00 0.00 C ATOM 59 C ASP A 5 0.061 0.609 2.887 1.00 0.00 C ATOM 60 O ASP A 5 0.898 -0.041 3.525 1.00 0.00 O ATOM 61 CB ASP A 5 -0.806 3.061 3.393 1.00 0.00 C ATOM 62 CG ASP A 5 -0.925 3.571 1.944 1.00 0.00 C ATOM 63 OD1 ASP A 5 0.093 3.858 1.307 1.00 0.00 O ATOM 64 H ASP A 5 -0.310 1.902 5.693 1.00 0.00 H ATOM 65 HA ASP A 5 -2.023 1.254 3.306 1.00 0.00 H ATOM 66 HB2 ASP A 5 -1.526 3.629 4.015 1.00 0.00 H ATOM 67 HB3 ASP A 5 0.184 3.374 3.773 1.00 0.00 H ATOM 68 N SER A 6 0.026 0.529 1.539 1.00 0.00 N ATOM 69 CA SER A 6 0.988 -0.294 0.752 1.00 0.00 C ATOM 70 C SER A 6 2.440 0.286 0.694 1.00 0.00 C ATOM 71 O SER A 6 3.390 -0.456 0.956 1.00 0.00 O ATOM 72 CB SER A 6 0.390 -0.530 -0.653 1.00 0.00 C ATOM 73 OG SER A 6 1.170 -1.466 -1.392 1.00 0.00 O ATOM 74 H SER A 6 -0.680 1.092 1.052 1.00 0.00 H ATOM 75 HA SER A 6 1.052 -1.292 1.232 1.00 0.00 H ATOM 76 HB2 SER A 6 -0.643 -0.922 -0.578 1.00 0.00 H ATOM 77 HB3 SER A 6 0.313 0.415 -1.224 1.00 0.00 H ATOM 78 HG SER A 6 2.072 -1.137 -1.379 1.00 0.00 H ATOM 79 N GLY A 7 2.612 1.579 0.347 1.00 0.00 N ATOM 80 CA GLY A 7 3.946 2.224 0.251 1.00 0.00 C ATOM 81 C GLY A 7 4.619 2.097 -1.133 1.00 0.00 C ATOM 82 O GLY A 7 5.719 1.549 -1.233 1.00 0.00 O ATOM 83 H GLY A 7 1.746 2.103 0.188 1.00 0.00 H ATOM 84 HA2 GLY A 7 3.836 3.297 0.498 1.00 0.00 H ATOM 85 HA3 GLY A 7 4.628 1.832 1.030 1.00 0.00 H ATOM 86 N LYS A 8 3.954 2.611 -2.185 1.00 0.00 N ATOM 87 CA LYS A 8 4.459 2.570 -3.585 1.00 0.00 C ATOM 88 C LYS A 8 3.703 3.660 -4.407 1.00 0.00 C ATOM 89 O LYS A 8 4.308 4.672 -4.771 1.00 0.00 O ATOM 90 CB LYS A 8 4.390 1.130 -4.186 1.00 0.00 C ATOM 91 CG LYS A 8 5.044 0.976 -5.580 1.00 0.00 C ATOM 92 CD LYS A 8 5.003 -0.458 -6.159 1.00 0.00 C ATOM 93 CE LYS A 8 3.616 -1.015 -6.551 1.00 0.00 C ATOM 94 NZ LYS A 8 3.016 -0.307 -7.703 1.00 0.00 N ATOM 95 H LYS A 8 3.057 3.047 -1.945 1.00 0.00 H ATOM 96 HA LYS A 8 5.526 2.868 -3.568 1.00 0.00 H ATOM 97 HB2 LYS A 8 4.887 0.421 -3.497 1.00 0.00 H ATOM 98 HB3 LYS A 8 3.336 0.795 -4.223 1.00 0.00 H ATOM 99 HG2 LYS A 8 4.587 1.681 -6.299 1.00 0.00 H ATOM 100 HG3 LYS A 8 6.103 1.291 -5.508 1.00 0.00 H ATOM 101 HD2 LYS A 8 5.674 -0.506 -7.037 1.00 0.00 H ATOM 102 HD3 LYS A 8 5.466 -1.147 -5.426 1.00 0.00 H ATOM 103 HE2 LYS A 8 3.716 -2.089 -6.802 1.00 0.00 H ATOM 104 HE3 LYS A 8 2.924 -0.986 -5.687 1.00 0.00 H ATOM 105 HZ1 LYS A 8 3.611 -0.364 -8.537 1.00 0.00 H ATOM 106 HZ2 LYS A 8 2.100 -0.693 -7.962 1.00 0.00 H ATOM 107 HZ3 LYS A 8 2.877 0.691 -7.507 1.00 0.00 H ATOM 108 N LEU A 9 2.403 3.447 -4.708 1.00 0.00 N ATOM 109 CA LEU A 9 1.564 4.404 -5.480 1.00 0.00 C ATOM 110 C LEU A 9 0.092 4.301 -4.975 1.00 0.00 C ATOM 111 O LEU A 9 -0.392 5.239 -4.335 1.00 0.00 O ATOM 112 CB LEU A 9 1.763 4.197 -7.015 1.00 0.00 C ATOM 113 CG LEU A 9 1.026 5.186 -7.962 1.00 0.00 C ATOM 114 CD1 LEU A 9 1.541 6.635 -7.838 1.00 0.00 C ATOM 115 CD2 LEU A 9 1.139 4.717 -9.425 1.00 0.00 C ATOM 116 H LEU A 9 2.015 2.580 -4.321 1.00 0.00 H ATOM 117 HA LEU A 9 1.902 5.431 -5.238 1.00 0.00 H ATOM 118 HB2 LEU A 9 2.845 4.232 -7.249 1.00 0.00 H ATOM 119 HB3 LEU A 9 1.459 3.163 -7.270 1.00 0.00 H ATOM 120 HG LEU A 9 -0.050 5.185 -7.704 1.00 0.00 H ATOM 121 HD11 LEU A 9 2.622 6.713 -8.062 1.00 0.00 H ATOM 122 HD12 LEU A 9 1.013 7.317 -8.531 1.00 0.00 H ATOM 123 HD13 LEU A 9 1.386 7.041 -6.823 1.00 0.00 H ATOM 124 HD21 LEU A 9 2.188 4.690 -9.776 1.00 0.00 H ATOM 125 HD22 LEU A 9 0.721 3.703 -9.562 1.00 0.00 H ATOM 126 HD23 LEU A 9 0.582 5.383 -10.112 1.00 0.00 H ATOM 127 N ILE A 10 -0.608 3.177 -5.248 1.00 0.00 N ATOM 128 CA ILE A 10 -2.020 2.953 -4.819 1.00 0.00 C ATOM 129 C ILE A 10 -1.998 2.298 -3.398 1.00 0.00 C ATOM 130 O ILE A 10 -1.714 1.106 -3.245 1.00 0.00 O ATOM 131 CB ILE A 10 -2.803 2.219 -5.969 1.00 0.00 C ATOM 132 CG1 ILE A 10 -4.355 2.318 -5.860 1.00 0.00 C ATOM 133 CG2 ILE A 10 -2.315 0.793 -6.336 1.00 0.00 C ATOM 134 CD1 ILE A 10 -5.094 1.273 -5.009 1.00 0.00 C ATOM 135 H ILE A 10 -0.095 2.476 -5.791 1.00 0.00 H ATOM 136 HA ILE A 10 -2.510 3.947 -4.739 1.00 0.00 H ATOM 137 HB ILE A 10 -2.588 2.819 -6.877 1.00 0.00 H ATOM 138 HG12 ILE A 10 -4.639 3.328 -5.509 1.00 0.00 H ATOM 139 HG13 ILE A 10 -4.780 2.261 -6.880 1.00 0.00 H ATOM 140 HG21 ILE A 10 -2.471 0.075 -5.511 1.00 0.00 H ATOM 141 HG22 ILE A 10 -2.848 0.394 -7.219 1.00 0.00 H ATOM 142 HG23 ILE A 10 -1.237 0.774 -6.581 1.00 0.00 H ATOM 143 HD11 ILE A 10 -5.016 0.266 -5.460 1.00 0.00 H ATOM 144 HD12 ILE A 10 -4.702 1.213 -3.979 1.00 0.00 H ATOM 145 HD13 ILE A 10 -6.173 1.502 -4.945 1.00 0.00 H HETATM 146 N SET A 11 -2.288 3.111 -2.360 1.00 0.00 N HETATM 147 CA SET A 11 -2.276 2.670 -0.933 1.00 0.00 C HETATM 148 CB SET A 11 -3.267 1.542 -0.518 1.00 0.00 C HETATM 149 OG SET A 11 -2.856 0.669 0.251 1.00 0.00 O HETATM 150 NT SET A 11 -2.163 3.648 1.436 1.00 0.00 N HETATM 151 C SET A 11 -2.407 3.920 -0.017 1.00 0.00 C HETATM 152 H SET A 11 -2.466 4.087 -2.620 1.00 0.00 H HETATM 153 HA SET A 11 -1.259 2.266 -0.755 1.00 0.00 H HETATM 154 HB2 SET A 11 -1.718 4.712 -0.382 1.00 0.00 H HETATM 155 HB3 SET A 11 -3.414 4.360 -0.155 1.00 0.00 H HETATM 156 HNT2 SET A 11 -2.889 3.361 2.113 1.00 0.00 H ATOM 157 N THR A 12 -4.535 1.564 -0.980 1.00 0.00 N ATOM 158 CA THR A 12 -5.547 0.519 -0.629 1.00 0.00 C ATOM 159 C THR A 12 -5.331 -0.840 -1.387 1.00 0.00 C ATOM 160 O THR A 12 -6.131 -1.257 -2.230 1.00 0.00 O ATOM 161 CB THR A 12 -7.000 1.075 -0.773 1.00 0.00 C ATOM 162 OG1 THR A 12 -7.261 1.510 -2.105 1.00 0.00 O ATOM 163 CG2 THR A 12 -7.360 2.220 0.192 1.00 0.00 C ATOM 164 H THR A 12 -4.795 2.455 -1.415 1.00 0.00 H ATOM 165 HA THR A 12 -5.438 0.286 0.450 1.00 0.00 H ATOM 166 HB THR A 12 -7.703 0.249 -0.551 1.00 0.00 H ATOM 167 HG1 THR A 12 -6.734 2.300 -2.236 1.00 0.00 H ATOM 168 HG21 THR A 12 -8.416 2.525 0.074 1.00 0.00 H ATOM 169 HG22 THR A 12 -7.225 1.920 1.247 1.00 0.00 H ATOM 170 HG23 THR A 12 -6.740 3.119 0.021 1.00 0.00 H ATOM 171 N THR A 13 -4.225 -1.524 -1.044 1.00 0.00 N ATOM 172 CA THR A 13 -3.830 -2.840 -1.617 1.00 0.00 C ATOM 173 C THR A 13 -3.103 -3.598 -0.468 1.00 0.00 C ATOM 174 O THR A 13 -1.927 -3.345 -0.181 1.00 0.00 O ATOM 175 CB THR A 13 -2.953 -2.760 -2.909 1.00 0.00 C ATOM 176 OG1 THR A 13 -1.860 -1.859 -2.756 1.00 0.00 O ATOM 177 CG2 THR A 13 -3.723 -2.359 -4.175 1.00 0.00 C ATOM 178 H THR A 13 -3.599 -0.985 -0.428 1.00 0.00 H ATOM 179 HA THR A 13 -4.745 -3.408 -1.886 1.00 0.00 H ATOM 180 HB THR A 13 -2.534 -3.766 -3.105 1.00 0.00 H ATOM 181 HG1 THR A 13 -2.243 -0.980 -2.699 1.00 0.00 H ATOM 182 HG21 THR A 13 -4.130 -1.337 -4.091 1.00 0.00 H ATOM 183 HG22 THR A 13 -3.070 -2.380 -5.067 1.00 0.00 H ATOM 184 HG23 THR A 13 -4.571 -3.039 -4.373 1.00 0.00 H ATOM 185 N ALA A 14 -3.821 -4.528 0.190 1.00 0.00 N ATOM 186 CA ALA A 14 -3.275 -5.328 1.313 1.00 0.00 C ATOM 187 C ALA A 14 -2.541 -6.590 0.807 1.00 0.00 C ATOM 188 O ALA A 14 -3.089 -7.511 0.198 1.00 0.00 O ATOM 189 CB ALA A 14 -4.432 -5.690 2.263 1.00 0.00 C ATOM 190 OXT ALA A 14 -1.205 -6.568 1.111 1.00 0.00 O ATOM 191 H ALA A 14 -4.798 -4.605 -0.111 1.00 0.00 H ATOM 192 HA ALA A 14 -2.565 -4.710 1.899 1.00 0.00 H ATOM 193 HB1 ALA A 14 -4.932 -4.787 2.663 1.00 0.00 H ATOM 194 HB2 ALA A 14 -5.209 -6.304 1.768 1.00 0.00 H ATOM 195 HB3 ALA A 14 -4.074 -6.264 3.137 1.00 0.00 H ATOM 196 HXT ALA A 14 -0.762 -7.355 0.785 1.00 0.00 H TER 197 ALA A 14