HETATM 1 C ACE A 6 -6.831 -3.779 -3.920 1.00 0.00 C HETATM 2 O ACE A 6 -6.286 -4.652 -3.256 1.00 0.00 O HETATM 3 CH3 ACE A 6 -6.218 -3.301 -5.226 1.00 0.00 C HETATM 4 H1 ACE A 6 -5.987 -2.226 -5.174 1.00 0.00 H HETATM 5 H2 ACE A 6 -5.287 -3.850 -5.410 1.00 0.00 H HETATM 6 H3 ACE A 6 -6.906 -3.482 -6.066 1.00 0.00 H ATOM 7 N SER A 5 -8.022 -3.185 -3.557 1.00 0.00 N ATOM 8 CA SER A 5 -8.719 -3.325 -2.244 1.00 0.00 C ATOM 9 C SER A 5 -8.244 -2.131 -1.316 1.00 0.00 C ATOM 10 O SER A 5 -8.595 -0.971 -1.523 1.00 0.00 O ATOM 11 CB SER A 5 -8.771 -4.668 -1.489 1.00 0.00 C ATOM 12 OG SER A 5 -7.591 -5.223 -0.910 1.00 0.00 O ATOM 13 H SER A 5 -8.346 -2.407 -4.107 1.00 0.00 H ATOM 14 HA SER A 5 -9.774 -3.082 -2.448 1.00 0.00 H ATOM 15 HB2 SER A 5 -9.463 -4.507 -0.647 1.00 0.00 H ATOM 16 HB3 SER A 5 -9.248 -5.421 -2.144 1.00 0.00 H ATOM 17 HG SER A 5 -6.995 -5.377 -1.672 1.00 0.00 H ATOM 18 N TYR A 4 -7.414 -2.436 -0.254 1.00 0.00 N ATOM 19 CA TYR A 4 -6.918 -1.430 0.694 1.00 0.00 C ATOM 20 C TYR A 4 -5.667 -0.633 0.173 1.00 0.00 C ATOM 21 O TYR A 4 -4.997 -1.047 -0.771 1.00 0.00 O ATOM 22 CB TYR A 4 -6.506 -2.126 2.003 1.00 0.00 C ATOM 23 CG TYR A 4 -7.586 -3.008 2.616 1.00 0.00 C ATOM 24 CD1 TYR A 4 -8.705 -2.442 3.237 1.00 0.00 C ATOM 25 CD2 TYR A 4 -7.522 -4.403 2.522 1.00 0.00 C ATOM 26 CE1 TYR A 4 -9.735 -3.233 3.757 1.00 0.00 C ATOM 27 CE2 TYR A 4 -8.543 -5.207 3.032 1.00 0.00 C ATOM 28 CZ TYR A 4 -9.654 -4.626 3.653 1.00 0.00 C ATOM 29 OH TYR A 4 -10.622 -5.463 4.130 1.00 0.00 O ATOM 30 H TYR A 4 -7.183 -3.409 -0.099 1.00 0.00 H ATOM 31 HA TYR A 4 -7.742 -0.724 0.898 1.00 0.00 H ATOM 32 HB2 TYR A 4 -5.602 -2.728 1.819 1.00 0.00 H ATOM 33 HB3 TYR A 4 -6.218 -1.350 2.733 1.00 0.00 H ATOM 34 HD1 TYR A 4 -8.785 -1.338 3.316 1.00 0.00 H ATOM 35 HD2 TYR A 4 -6.655 -4.889 2.027 1.00 0.00 H ATOM 36 HE1 TYR A 4 -10.612 -2.759 4.234 1.00 0.00 H ATOM 37 HE2 TYR A 4 -8.491 -6.309 2.941 1.00 0.00 H ATOM 38 HH TYR A 4 -11.335 -4.959 4.541 1.00 0.00 H ATOM 39 N VAL A 3 -5.320 0.514 0.871 1.00 0.00 N ATOM 40 CA VAL A 3 -4.147 1.321 0.468 1.00 0.00 C ATOM 41 C VAL A 3 -2.887 0.648 1.140 1.00 0.00 C ATOM 42 O VAL A 3 -2.283 1.179 2.068 1.00 0.00 O ATOM 43 CB VAL A 3 -4.309 2.822 0.815 1.00 0.00 C ATOM 44 CG1 VAL A 3 -3.148 3.675 0.264 1.00 0.00 C ATOM 45 CG2 VAL A 3 -5.639 3.418 0.299 1.00 0.00 C ATOM 46 H VAL A 3 -5.898 0.904 1.593 1.00 0.00 H ATOM 47 HA VAL A 3 -4.035 1.240 -0.628 1.00 0.00 H ATOM 48 HB VAL A 3 -4.306 2.921 1.916 1.00 0.00 H ATOM 49 HG11 VAL A 3 -2.165 3.348 0.637 1.00 0.00 H ATOM 50 HG12 VAL A 3 -3.118 3.625 -0.837 1.00 0.00 H ATOM 51 HG13 VAL A 3 -3.268 4.733 0.551 1.00 0.00 H ATOM 52 HG21 VAL A 3 -5.714 3.318 -0.797 1.00 0.00 H ATOM 53 HG22 VAL A 3 -6.526 2.931 0.737 1.00 0.00 H ATOM 54 HG23 VAL A 3 -5.710 4.491 0.545 1.00 0.00 H ATOM 55 N LYS A 2 -2.486 -0.566 0.611 1.00 0.00 N ATOM 56 CA LYS A 2 -1.349 -1.354 1.130 1.00 0.00 C ATOM 57 C LYS A 2 -0.028 -0.912 0.394 1.00 0.00 C ATOM 58 O LYS A 2 0.711 -1.733 -0.142 1.00 0.00 O ATOM 59 CB LYS A 2 -1.659 -2.877 1.094 1.00 0.00 C ATOM 60 CG LYS A 2 -2.402 -3.495 -0.118 1.00 0.00 C ATOM 61 CD LYS A 2 -1.796 -3.259 -1.516 1.00 0.00 C ATOM 62 CE LYS A 2 -2.692 -3.729 -2.674 1.00 0.00 C ATOM 63 NZ LYS A 2 -2.874 -5.177 -2.624 1.00 0.00 N ATOM 64 H LYS A 2 -3.059 -1.004 -0.101 1.00 0.00 H ATOM 65 HA LYS A 2 -1.200 -1.083 2.190 1.00 0.00 H ATOM 66 HB2 LYS A 2 -0.704 -3.412 1.250 1.00 0.00 H ATOM 67 HB3 LYS A 2 -2.269 -3.111 1.985 1.00 0.00 H ATOM 68 HG2 LYS A 2 -2.469 -4.584 0.063 1.00 0.00 H ATOM 69 HG3 LYS A 2 -3.445 -3.135 -0.117 1.00 0.00 H ATOM 70 HD2 LYS A 2 -1.599 -2.184 -1.663 1.00 0.00 H ATOM 71 HD3 LYS A 2 -0.815 -3.764 -1.585 1.00 0.00 H ATOM 72 HE2 LYS A 2 -3.643 -3.163 -2.654 1.00 0.00 H ATOM 73 HE3 LYS A 2 -2.199 -3.472 -3.627 1.00 0.00 H ATOM 74 HZ1 LYS A 2 -3.464 -5.488 -3.382 1.00 0.00 H ATOM 75 HZ2 LYS A 2 -3.353 -5.432 -1.775 1.00 0.00 H ATOM 76 N ALA A 1 0.275 0.439 0.432 1.00 0.00 N ATOM 77 CA ALA A 1 1.482 0.956 -0.218 1.00 0.00 C ATOM 78 C ALA A 1 1.829 2.352 0.317 1.00 0.00 C ATOM 79 O ALA A 1 1.077 3.089 0.920 1.00 0.00 O ATOM 80 CB ALA A 1 1.340 1.043 -1.755 1.00 0.00 C ATOM 81 OXT ALA A 1 3.074 2.757 -0.030 1.00 0.00 O ATOM 82 H ALA A 1 -0.335 1.081 0.917 1.00 0.00 H ATOM 83 HA ALA A 1 2.331 0.285 0.011 1.00 0.00 H ATOM 84 HB1 ALA A 1 1.112 0.060 -2.194 1.00 0.00 H ATOM 85 HB2 ALA A 1 0.541 1.740 -2.048 1.00 0.00 H ATOM 86 HB3 ALA A 1 2.287 1.391 -2.197 1.00 0.00 H ATOM 87 HXT ALA A 1 3.175 3.653 0.333 1.00 0.00 H TER 88 ALA A 1