HETATM 1 C ACE A 1 1.036 -12.690 1.546 1.00 0.00 C HETATM 2 O ACE A 1 2.019 -13.426 1.449 1.00 0.00 O HETATM 3 CH3 ACE A 1 0.043 -12.872 2.690 1.00 0.00 C HETATM 4 H1 ACE A 1 -0.969 -13.112 2.314 1.00 0.00 H HETATM 5 H2 ACE A 1 0.351 -13.701 3.354 1.00 0.00 H HETATM 6 H3 ACE A 1 -0.029 -11.962 3.314 1.00 0.00 H ATOM 7 N ILE A 2 0.747 -11.700 0.690 1.00 0.00 N ATOM 8 CA ILE A 2 1.596 -11.360 -0.496 1.00 0.00 C ATOM 9 C ILE A 2 2.012 -9.853 -0.496 1.00 0.00 C ATOM 10 O ILE A 2 3.213 -9.567 -0.522 1.00 0.00 O ATOM 11 CB ILE A 2 1.025 -11.877 -1.870 1.00 0.00 C ATOM 12 CG1 ILE A 2 -0.441 -11.452 -2.197 1.00 0.00 C ATOM 13 CG2 ILE A 2 1.202 -13.411 -2.004 1.00 0.00 C ATOM 14 CD1 ILE A 2 -0.870 -11.621 -3.664 1.00 0.00 C ATOM 15 H ILE A 2 -0.113 -11.187 0.912 1.00 0.00 H ATOM 16 HA ILE A 2 2.571 -11.876 -0.378 1.00 0.00 H ATOM 17 HB ILE A 2 1.670 -11.436 -2.656 1.00 0.00 H ATOM 18 HG12 ILE A 2 -1.148 -11.999 -1.544 1.00 0.00 H ATOM 19 HG13 ILE A 2 -0.590 -10.389 -1.944 1.00 0.00 H ATOM 20 HG21 ILE A 2 0.567 -13.965 -1.288 1.00 0.00 H ATOM 21 HG22 ILE A 2 0.948 -13.775 -3.016 1.00 0.00 H ATOM 22 HG23 ILE A 2 2.247 -13.721 -1.817 1.00 0.00 H ATOM 23 HD11 ILE A 2 -1.896 -11.241 -3.824 1.00 0.00 H ATOM 24 HD12 ILE A 2 -0.206 -11.065 -4.351 1.00 0.00 H ATOM 25 HD13 ILE A 2 -0.867 -12.680 -3.980 1.00 0.00 H ATOM 26 N TRP A 3 1.057 -8.898 -0.466 1.00 0.00 N ATOM 27 CA TRP A 3 1.360 -7.440 -0.464 1.00 0.00 C ATOM 28 C TRP A 3 1.722 -6.880 0.946 1.00 0.00 C ATOM 29 O TRP A 3 2.830 -6.364 1.119 1.00 0.00 O ATOM 30 CB TRP A 3 0.189 -6.682 -1.165 1.00 0.00 C ATOM 31 CG TRP A 3 0.357 -5.158 -1.319 1.00 0.00 C ATOM 32 CD1 TRP A 3 -0.448 -4.166 -0.713 1.00 0.00 C ATOM 33 CD2 TRP A 3 1.303 -4.461 -2.053 1.00 0.00 C ATOM 34 NE1 TRP A 3 -0.027 -2.868 -1.054 1.00 0.00 N ATOM 35 CE2 TRP A 3 1.059 -3.074 -1.885 1.00 0.00 C ATOM 36 CE3 TRP A 3 2.377 -4.907 -2.863 1.00 0.00 C ATOM 37 CZ2 TRP A 3 1.883 -2.125 -2.535 1.00 0.00 C ATOM 38 CZ3 TRP A 3 3.181 -3.952 -3.488 1.00 0.00 C ATOM 39 CH2 TRP A 3 2.937 -2.582 -3.328 1.00 0.00 C ATOM 40 H TRP A 3 0.096 -9.255 -0.473 1.00 0.00 H ATOM 41 HA TRP A 3 2.251 -7.278 -1.102 1.00 0.00 H ATOM 42 HB2 TRP A 3 0.033 -7.104 -2.177 1.00 0.00 H ATOM 43 HB3 TRP A 3 -0.760 -6.887 -0.632 1.00 0.00 H ATOM 44 HD1 TRP A 3 -1.297 -4.364 -0.074 1.00 0.00 H ATOM 45 HE1 TRP A 3 -0.415 -1.974 -0.730 1.00 0.00 H ATOM 46 HE3 TRP A 3 2.571 -5.962 -2.989 1.00 0.00 H ATOM 47 HZ2 TRP A 3 1.703 -1.068 -2.426 1.00 0.00 H ATOM 48 HZ3 TRP A 3 4.005 -4.276 -4.108 1.00 0.00 H ATOM 49 HH2 TRP A 3 3.574 -1.866 -3.827 1.00 0.00 H ATOM 50 N GLY A 4 0.797 -6.955 1.924 1.00 0.00 N ATOM 51 CA GLY A 4 1.025 -6.413 3.285 1.00 0.00 C ATOM 52 C GLY A 4 0.615 -4.928 3.328 1.00 0.00 C ATOM 53 O GLY A 4 -0.548 -4.611 3.592 1.00 0.00 O ATOM 54 H GLY A 4 -0.055 -7.461 1.662 1.00 0.00 H ATOM 55 HA2 GLY A 4 0.406 -6.980 4.005 1.00 0.00 H ATOM 56 HA3 GLY A 4 2.071 -6.565 3.619 1.00 0.00 H ATOM 57 N ASP A 5 1.586 -4.033 3.069 1.00 0.00 N ATOM 58 CA ASP A 5 1.352 -2.564 3.027 1.00 0.00 C ATOM 59 C ASP A 5 2.427 -1.877 2.102 1.00 0.00 C ATOM 60 O ASP A 5 3.525 -2.411 1.900 1.00 0.00 O ATOM 61 CB ASP A 5 1.322 -1.954 4.467 1.00 0.00 C ATOM 62 CG ASP A 5 0.758 -0.520 4.536 1.00 0.00 C ATOM 63 OD1 ASP A 5 1.517 0.448 4.625 1.00 0.00 O ATOM 64 H ASP A 5 2.493 -4.443 2.816 1.00 0.00 H ATOM 65 HA ASP A 5 0.342 -2.456 2.575 1.00 0.00 H ATOM 66 HB2 ASP A 5 0.728 -2.597 5.147 1.00 0.00 H ATOM 67 HB3 ASP A 5 2.341 -1.962 4.899 1.00 0.00 H ATOM 68 N SER A 6 2.136 -0.672 1.558 1.00 0.00 N ATOM 69 CA SER A 6 3.075 0.075 0.679 1.00 0.00 C ATOM 70 C SER A 6 4.190 0.854 1.451 1.00 0.00 C ATOM 71 O SER A 6 5.373 0.597 1.215 1.00 0.00 O ATOM 72 CB SER A 6 2.233 0.995 -0.236 1.00 0.00 C ATOM 73 OG SER A 6 3.049 1.584 -1.243 1.00 0.00 O ATOM 74 H SER A 6 1.249 -0.227 1.818 1.00 0.00 H ATOM 75 HA SER A 6 3.578 -0.651 0.009 1.00 0.00 H ATOM 76 HB2 SER A 6 1.416 0.430 -0.722 1.00 0.00 H ATOM 77 HB3 SER A 6 1.736 1.794 0.346 1.00 0.00 H ATOM 78 HG SER A 6 2.470 2.141 -1.769 1.00 0.00 H ATOM 79 N GLY A 7 3.820 1.791 2.349 1.00 0.00 N ATOM 80 CA GLY A 7 4.786 2.608 3.125 1.00 0.00 C ATOM 81 C GLY A 7 5.061 4.000 2.510 1.00 0.00 C ATOM 82 O GLY A 7 6.215 4.325 2.220 1.00 0.00 O ATOM 83 H GLY A 7 2.810 1.930 2.444 1.00 0.00 H ATOM 84 HA2 GLY A 7 4.390 2.743 4.149 1.00 0.00 H ATOM 85 HA3 GLY A 7 5.743 2.069 3.268 1.00 0.00 H ATOM 86 N LYS A 8 4.001 4.811 2.327 1.00 0.00 N ATOM 87 CA LYS A 8 4.091 6.179 1.744 1.00 0.00 C ATOM 88 C LYS A 8 2.813 6.967 2.168 1.00 0.00 C ATOM 89 O LYS A 8 2.919 7.903 2.965 1.00 0.00 O ATOM 90 CB LYS A 8 4.369 6.146 0.204 1.00 0.00 C ATOM 91 CG LYS A 8 4.862 7.458 -0.454 1.00 0.00 C ATOM 92 CD LYS A 8 3.790 8.549 -0.665 1.00 0.00 C ATOM 93 CE LYS A 8 4.319 9.757 -1.459 1.00 0.00 C ATOM 94 NZ LYS A 8 3.267 10.782 -1.624 1.00 0.00 N ATOM 95 H LYS A 8 3.107 4.409 2.628 1.00 0.00 H ATOM 96 HA LYS A 8 4.952 6.689 2.222 1.00 0.00 H ATOM 97 HB2 LYS A 8 5.159 5.396 0.009 1.00 0.00 H ATOM 98 HB3 LYS A 8 3.491 5.753 -0.343 1.00 0.00 H ATOM 99 HG2 LYS A 8 5.711 7.867 0.127 1.00 0.00 H ATOM 100 HG3 LYS A 8 5.293 7.195 -1.439 1.00 0.00 H ATOM 101 HD2 LYS A 8 2.916 8.108 -1.184 1.00 0.00 H ATOM 102 HD3 LYS A 8 3.417 8.893 0.317 1.00 0.00 H ATOM 103 HE2 LYS A 8 5.193 10.202 -0.944 1.00 0.00 H ATOM 104 HE3 LYS A 8 4.682 9.435 -2.455 1.00 0.00 H ATOM 105 HZ1 LYS A 8 2.927 11.130 -0.719 1.00 0.00 H ATOM 106 HZ2 LYS A 8 3.602 11.598 -2.150 1.00 0.00 H ATOM 107 HZ3 LYS A 8 2.451 10.416 -2.127 1.00 0.00 H ATOM 108 N LEU A 9 1.627 6.609 1.627 1.00 0.00 N ATOM 109 CA LEU A 9 0.336 7.275 1.950 1.00 0.00 C ATOM 110 C LEU A 9 -0.771 6.183 2.065 1.00 0.00 C ATOM 111 O LEU A 9 -1.190 5.871 3.183 1.00 0.00 O ATOM 112 CB LEU A 9 0.062 8.433 0.940 1.00 0.00 C ATOM 113 CG LEU A 9 -1.211 9.293 1.179 1.00 0.00 C ATOM 114 CD1 LEU A 9 -1.151 10.110 2.485 1.00 0.00 C ATOM 115 CD2 LEU A 9 -1.455 10.238 -0.014 1.00 0.00 C ATOM 116 H LEU A 9 1.676 5.809 0.986 1.00 0.00 H ATOM 117 HA LEU A 9 0.415 7.733 2.956 1.00 0.00 H ATOM 118 HB2 LEU A 9 0.940 9.109 0.918 1.00 0.00 H ATOM 119 HB3 LEU A 9 0.019 8.004 -0.081 1.00 0.00 H ATOM 120 HG LEU A 9 -2.085 8.617 1.241 1.00 0.00 H ATOM 121 HD11 LEU A 9 -0.284 10.798 2.508 1.00 0.00 H ATOM 122 HD12 LEU A 9 -2.060 10.724 2.626 1.00 0.00 H ATOM 123 HD13 LEU A 9 -1.075 9.459 3.375 1.00 0.00 H ATOM 124 HD21 LEU A 9 -2.384 10.825 0.113 1.00 0.00 H ATOM 125 HD22 LEU A 9 -0.628 10.959 -0.152 1.00 0.00 H ATOM 126 HD23 LEU A 9 -1.564 9.678 -0.962 1.00 0.00 H ATOM 127 N ILE A 10 -1.233 5.599 0.936 1.00 0.00 N ATOM 128 CA ILE A 10 -2.282 4.537 0.926 1.00 0.00 C ATOM 129 C ILE A 10 -1.566 3.152 1.058 1.00 0.00 C ATOM 130 O ILE A 10 -0.789 2.753 0.184 1.00 0.00 O ATOM 131 CB ILE A 10 -3.237 4.744 -0.305 1.00 0.00 C ATOM 132 CG1 ILE A 10 -4.655 4.123 -0.137 1.00 0.00 C ATOM 133 CG2 ILE A 10 -2.627 4.440 -1.697 1.00 0.00 C ATOM 134 CD1 ILE A 10 -4.787 2.593 -0.167 1.00 0.00 C ATOM 135 H ILE A 10 -0.807 5.944 0.069 1.00 0.00 H ATOM 136 HA ILE A 10 -2.924 4.693 1.818 1.00 0.00 H ATOM 137 HB ILE A 10 -3.455 5.831 -0.333 1.00 0.00 H ATOM 138 HG12 ILE A 10 -5.103 4.493 0.804 1.00 0.00 H ATOM 139 HG13 ILE A 10 -5.313 4.531 -0.928 1.00 0.00 H ATOM 140 HG21 ILE A 10 -2.371 3.372 -1.812 1.00 0.00 H ATOM 141 HG22 ILE A 10 -3.322 4.698 -2.518 1.00 0.00 H ATOM 142 HG23 ILE A 10 -1.698 5.014 -1.872 1.00 0.00 H ATOM 143 HD11 ILE A 10 -5.845 2.285 -0.084 1.00 0.00 H ATOM 144 HD12 ILE A 10 -4.405 2.171 -1.111 1.00 0.00 H ATOM 145 HD13 ILE A 10 -4.244 2.108 0.663 1.00 0.00 H HETATM 146 N SET A 11 -1.828 2.432 2.165 1.00 0.00 N HETATM 147 CA SET A 11 -1.192 1.116 2.447 1.00 0.00 C HETATM 148 CB SET A 11 -1.701 -0.085 1.584 1.00 0.00 C HETATM 149 OG SET A 11 -0.930 -0.598 0.770 1.00 0.00 O HETATM 150 NT SET A 11 -0.571 -0.412 4.406 1.00 0.00 N HETATM 151 C SET A 11 -1.223 0.867 3.990 1.00 0.00 C HETATM 152 H SET A 11 -2.469 2.883 2.828 1.00 0.00 H HETATM 153 HA SET A 11 -0.116 1.226 2.203 1.00 0.00 H HETATM 154 HB2 SET A 11 -0.762 1.734 4.513 1.00 0.00 H HETATM 155 HB3 SET A 11 -2.272 0.880 4.347 1.00 0.00 H HETATM 156 HNT2 SET A 11 -1.028 -1.337 4.343 1.00 0.00 H ATOM 157 N THR A 12 -2.963 -0.519 1.754 1.00 0.00 N ATOM 158 CA THR A 12 -3.536 -1.701 1.034 1.00 0.00 C ATOM 159 C THR A 12 -3.552 -1.780 -0.528 1.00 0.00 C ATOM 160 O THR A 12 -3.576 -2.893 -1.062 1.00 0.00 O ATOM 161 CB THR A 12 -4.910 -2.058 1.684 1.00 0.00 C ATOM 162 OG1 THR A 12 -5.301 -3.374 1.306 1.00 0.00 O ATOM 163 CG2 THR A 12 -6.080 -1.108 1.358 1.00 0.00 C ATOM 164 H THR A 12 -3.468 -0.064 2.522 1.00 0.00 H ATOM 165 HA THR A 12 -2.859 -2.525 1.301 1.00 0.00 H ATOM 166 HB THR A 12 -4.790 -2.070 2.786 1.00 0.00 H ATOM 167 HG1 THR A 12 -6.164 -3.519 1.699 1.00 0.00 H ATOM 168 HG21 THR A 12 -5.855 -0.065 1.649 1.00 0.00 H ATOM 169 HG22 THR A 12 -6.317 -1.105 0.278 1.00 0.00 H ATOM 170 HG23 THR A 12 -7.001 -1.402 1.893 1.00 0.00 H ATOM 171 N THR A 13 -3.543 -0.647 -1.246 1.00 0.00 N ATOM 172 CA THR A 13 -3.564 -0.638 -2.739 1.00 0.00 C ATOM 173 C THR A 13 -2.858 0.633 -3.299 1.00 0.00 C ATOM 174 O THR A 13 -3.486 1.682 -3.469 1.00 0.00 O ATOM 175 CB THR A 13 -4.996 -0.902 -3.315 1.00 0.00 C ATOM 176 OG1 THR A 13 -4.938 -0.963 -4.736 1.00 0.00 O ATOM 177 CG2 THR A 13 -6.119 0.084 -2.932 1.00 0.00 C ATOM 178 H THR A 13 -3.372 0.173 -0.656 1.00 0.00 H ATOM 179 HA THR A 13 -2.967 -1.507 -3.088 1.00 0.00 H ATOM 180 HB THR A 13 -5.317 -1.901 -2.964 1.00 0.00 H ATOM 181 HG1 THR A 13 -4.777 -0.064 -5.032 1.00 0.00 H ATOM 182 HG21 THR A 13 -7.093 -0.245 -3.339 1.00 0.00 H ATOM 183 HG22 THR A 13 -6.238 0.162 -1.836 1.00 0.00 H ATOM 184 HG23 THR A 13 -5.936 1.103 -3.317 1.00 0.00 H ATOM 185 N ALA A 14 -1.550 0.521 -3.604 1.00 0.00 N ATOM 186 CA ALA A 14 -0.747 1.638 -4.163 1.00 0.00 C ATOM 187 C ALA A 14 -0.249 1.246 -5.570 1.00 0.00 C ATOM 188 O ALA A 14 0.608 0.387 -5.786 1.00 0.00 O ATOM 189 CB ALA A 14 0.420 1.965 -3.218 1.00 0.00 C ATOM 190 OXT ALA A 14 -0.877 1.959 -6.558 1.00 0.00 O ATOM 191 H ALA A 14 -1.140 -0.400 -3.417 1.00 0.00 H ATOM 192 HA ALA A 14 -1.352 2.563 -4.252 1.00 0.00 H ATOM 193 HB1 ALA A 14 1.017 2.818 -3.591 1.00 0.00 H ATOM 194 HB2 ALA A 14 0.062 2.244 -2.210 1.00 0.00 H ATOM 195 HB3 ALA A 14 1.111 1.110 -3.101 1.00 0.00 H ATOM 196 HXT ALA A 14 -0.562 1.700 -7.426 1.00 0.00 H TER 197 ALA A 14