HETATM 1 C ACE A 6 -9.187 -4.024 -1.585 1.00 0.00 C HETATM 2 O ACE A 6 -8.637 -4.545 -0.621 1.00 0.00 O HETATM 3 CH3 ACE A 6 -8.846 -4.450 -3.003 1.00 0.00 C HETATM 4 H1 ACE A 6 -9.749 -4.763 -3.550 1.00 0.00 H HETATM 5 H2 ACE A 6 -8.367 -3.620 -3.546 1.00 0.00 H HETATM 6 H3 ACE A 6 -8.148 -5.295 -2.969 1.00 0.00 H ATOM 7 N SER A 5 -10.125 -3.025 -1.454 1.00 0.00 N ATOM 8 CA SER A 5 -10.592 -2.433 -0.177 1.00 0.00 C ATOM 9 C SER A 5 -9.573 -1.404 0.415 1.00 0.00 C ATOM 10 O SER A 5 -9.947 -0.299 0.800 1.00 0.00 O ATOM 11 CB SER A 5 -10.997 -3.350 0.995 1.00 0.00 C ATOM 12 OG SER A 5 -12.014 -4.300 0.727 1.00 0.00 O ATOM 13 H SER A 5 -10.507 -2.608 -2.286 1.00 0.00 H ATOM 14 HA SER A 5 -11.457 -1.829 -0.452 1.00 0.00 H ATOM 15 HB2 SER A 5 -10.119 -3.852 1.434 1.00 0.00 H ATOM 16 HB3 SER A 5 -11.398 -2.687 1.778 1.00 0.00 H ATOM 17 HG SER A 5 -11.590 -4.985 0.188 1.00 0.00 H ATOM 18 N TYR A 4 -8.272 -1.830 0.497 1.00 0.00 N ATOM 19 CA TYR A 4 -7.184 -1.094 1.173 1.00 0.00 C ATOM 20 C TYR A 4 -6.018 -0.667 0.208 1.00 0.00 C ATOM 21 O TYR A 4 -5.785 -1.289 -0.826 1.00 0.00 O ATOM 22 CB TYR A 4 -6.556 -1.947 2.288 1.00 0.00 C ATOM 23 CG TYR A 4 -7.554 -2.516 3.287 1.00 0.00 C ATOM 24 CD1 TYR A 4 -8.315 -1.665 4.097 1.00 0.00 C ATOM 25 CD2 TYR A 4 -7.778 -3.892 3.385 1.00 0.00 C ATOM 26 CE1 TYR A 4 -9.274 -2.160 4.986 1.00 0.00 C ATOM 27 CE2 TYR A 4 -8.729 -4.405 4.270 1.00 0.00 C ATOM 28 CZ TYR A 4 -9.485 -3.541 5.072 1.00 0.00 C ATOM 29 OH TYR A 4 -10.405 -4.101 5.912 1.00 0.00 O ATOM 30 H TYR A 4 -8.102 -2.774 0.190 1.00 0.00 H ATOM 31 HA TYR A 4 -7.637 -0.196 1.620 1.00 0.00 H ATOM 32 HB2 TYR A 4 -5.987 -2.771 1.831 1.00 0.00 H ATOM 33 HB3 TYR A 4 -5.821 -1.321 2.822 1.00 0.00 H ATOM 34 HD1 TYR A 4 -8.166 -0.567 4.030 1.00 0.00 H ATOM 35 HD2 TYR A 4 -7.200 -4.595 2.749 1.00 0.00 H ATOM 36 HE1 TYR A 4 -9.867 -1.462 5.605 1.00 0.00 H ATOM 37 HE2 TYR A 4 -8.907 -5.494 4.339 1.00 0.00 H ATOM 38 HH TYR A 4 -10.894 -3.416 6.385 1.00 0.00 H ATOM 39 N VAL A 3 -5.232 0.396 0.620 1.00 0.00 N ATOM 40 CA VAL A 3 -4.025 0.821 -0.121 1.00 0.00 C ATOM 41 C VAL A 3 -2.774 0.218 0.635 1.00 0.00 C ATOM 42 O VAL A 3 -2.413 0.629 1.736 1.00 0.00 O ATOM 43 CB VAL A 3 -3.918 2.355 -0.326 1.00 0.00 C ATOM 44 CG1 VAL A 3 -4.031 3.233 0.939 1.00 0.00 C ATOM 45 CG2 VAL A 3 -2.645 2.735 -1.110 1.00 0.00 C ATOM 46 H VAL A 3 -5.412 0.897 1.471 1.00 0.00 H ATOM 47 HA VAL A 3 -4.075 0.372 -1.127 1.00 0.00 H ATOM 48 HB VAL A 3 -4.781 2.623 -0.968 1.00 0.00 H ATOM 49 HG11 VAL A 3 -4.955 3.043 1.509 1.00 0.00 H ATOM 50 HG12 VAL A 3 -3.180 3.086 1.622 1.00 0.00 H ATOM 51 HG13 VAL A 3 -4.042 4.300 0.655 1.00 0.00 H ATOM 52 HG21 VAL A 3 -2.569 2.180 -2.059 1.00 0.00 H ATOM 53 HG22 VAL A 3 -2.633 3.810 -1.353 1.00 0.00 H ATOM 54 HG23 VAL A 3 -1.739 2.516 -0.522 1.00 0.00 H ATOM 55 N LYS A 2 -2.075 -0.807 0.006 1.00 0.00 N ATOM 56 CA LYS A 2 -0.960 -1.518 0.667 1.00 0.00 C ATOM 57 C LYS A 2 0.365 -0.697 0.413 1.00 0.00 C ATOM 58 O LYS A 2 1.276 -1.157 -0.270 1.00 0.00 O ATOM 59 CB LYS A 2 -0.858 -2.979 0.178 1.00 0.00 C ATOM 60 CG LYS A 2 -2.096 -3.873 0.426 1.00 0.00 C ATOM 61 CD LYS A 2 -3.206 -3.807 -0.638 1.00 0.00 C ATOM 62 CE LYS A 2 -4.401 -4.722 -0.339 1.00 0.00 C ATOM 63 NZ LYS A 2 -5.407 -4.552 -1.384 1.00 0.00 N ATOM 64 H LYS A 2 -2.445 -1.253 -0.817 1.00 0.00 H ATOM 65 HA LYS A 2 -1.145 -1.534 1.755 1.00 0.00 H ATOM 66 HB2 LYS A 2 -0.582 -3.004 -0.890 1.00 0.00 H ATOM 67 HB3 LYS A 2 0.000 -3.416 0.721 1.00 0.00 H ATOM 68 HG2 LYS A 2 -1.754 -4.921 0.483 1.00 0.00 H ATOM 69 HG3 LYS A 2 -2.525 -3.634 1.416 1.00 0.00 H ATOM 70 HD2 LYS A 2 -3.588 -2.779 -0.737 1.00 0.00 H ATOM 71 HD3 LYS A 2 -2.788 -4.077 -1.626 1.00 0.00 H ATOM 72 HE2 LYS A 2 -4.065 -5.772 -0.335 1.00 0.00 H ATOM 73 HE3 LYS A 2 -4.784 -4.510 0.677 1.00 0.00 H ATOM 74 HZ1 LYS A 2 -5.704 -3.586 -1.418 1.00 0.00 H ATOM 75 HZ2 LYS A 2 -6.235 -5.096 -1.188 1.00 0.00 H ATOM 76 N ALA A 1 0.446 0.546 1.017 1.00 0.00 N ATOM 77 CA ALA A 1 1.623 1.397 0.839 1.00 0.00 C ATOM 78 C ALA A 1 1.783 2.463 1.964 1.00 0.00 C ATOM 79 O ALA A 1 2.695 3.262 2.024 1.00 0.00 O ATOM 80 CB ALA A 1 1.692 2.082 -0.540 1.00 0.00 C ATOM 81 OXT ALA A 1 0.830 2.484 2.934 1.00 0.00 O ATOM 82 H ALA A 1 -0.338 0.898 1.548 1.00 0.00 H ATOM 83 HA ALA A 1 2.523 0.762 0.940 1.00 0.00 H ATOM 84 HB1 ALA A 1 1.662 1.345 -1.356 1.00 0.00 H ATOM 85 HB2 ALA A 1 0.862 2.789 -0.688 1.00 0.00 H ATOM 86 HB3 ALA A 1 2.640 2.636 -0.628 1.00 0.00 H ATOM 87 HXT ALA A 1 1.107 3.195 3.539 1.00 0.00 H TER 88 ALA A 1