Dataset 8. ATOM 1 CA GLY A 52 1.928 3.934 1.897 1.00 0.00 C ATOM 2 HA GLY A 52 2.088 4.105 2.870 1.00 0.00 H ATOM 3 H GLY A 52 1.765 2.958 1.754 1.00 0.00 H ATOM 4 H1 GLY A 52 1.129 4.453 1.595 1.00 0.00 H ATOM 5 C GLY A 52 3.117 4.409 1.110 1.00 0.00 C ATOM 6 O GLY A 52 3.512 5.641 1.103 1.00 0.00 O ATOM 7 N SER A 53 3.739 3.419 0.395 1.00 0.00 N ATOM 8 H SER A 53 3.432 2.424 0.455 1.00 0.00 H ATOM 9 CA SER A 53 4.899 3.771 -0.416 1.00 0.00 C ATOM 10 HA SER A 53 5.623 4.114 0.183 1.00 0.00 H ATOM 11 H1 SER A 53 5.224 2.958 -0.898 1.00 0.00 H ATOM 12 H2 SER A 53 4.655 4.477 -1.080 1.00 0.00 H ATOM 13 CE LYS A 72 -3.343 4.245 -2.771 1.00 0.00 C ATOM 14 H LYS A 72 -4.411 4.423 -2.642 1.00 0.00 H ATOM 15 HE2 LYS A 72 -2.979 4.697 -3.706 1.00 0.00 H ATOM 16 HE3 LYS A 72 -2.782 4.654 -1.919 1.00 0.00 H ATOM 17 NZ LYS A 72 -3.145 2.752 -2.791 1.00 0.00 N ATOM 18 HZ1 LYS A 72 -2.126 2.436 -2.775 1.00 0.00 H ATOM 19 HZ2 LYS A 72 -3.621 2.308 -3.601 1.00 0.00 H ATOM 20 HZ3 LYS A 72 -3.552 2.338 -1.843 1.00 0.00 H ATOM 21 CB ASP A 166 -0.108 -6.046 -2.059 1.00 0.00 C ATOM 22 H ASP A 166 -0.117 -7.098 -1.775 1.00 0.00 H ATOM 23 HB1 ASP A 166 0.367 -5.941 -3.049 1.00 0.00 H ATOM 24 HB2 ASP A 166 -1.157 -5.718 -2.199 1.00 0.00 H ATOM 25 CG ASP A 166 0.553 -5.114 -1.088 1.00 0.00 C ATOM 26 OD1 ASP A 166 0.717 -5.505 0.167 1.00 0.00 O ATOM 27 OD2 ASP A 166 0.841 -3.895 -1.505 1.00 0.00 O ATOM 28 CE LYS A 168 1.210 -3.464 2.819 1.00 0.00 C ATOM 29 H LYS A 168 1.409 -4.512 3.042 1.00 0.00 H ATOM 30 HE2 LYS A 168 0.144 -3.237 2.956 1.00 0.00 H ATOM 31 HE3 LYS A 168 1.808 -2.809 3.469 1.00 0.00 H ATOM 32 NZ LYS A 168 1.591 -3.293 1.386 1.00 0.00 N ATOM 33 HZ1 LYS A 168 1.294 -2.335 1.035 1.00 0.00 H ATOM 34 HZ2 LYS A 168 1.188 -4.140 0.821 1.00 0.00 H ATOM 35 HZ3 LYS A 168 2.618 -3.330 1.144 1.00 0.00 H ATOM 36 CB ASN A 171 -3.203 -4.548 2.386 1.00 0.00 C ATOM 37 H ASN A 171 -3.599 -4.083 3.289 1.00 0.00 H ATOM 38 HB2 ASN A 171 -2.701 -5.498 2.639 1.00 0.00 H ATOM 39 HB3 ASN A 171 -4.040 -4.784 1.706 1.00 0.00 H ATOM 40 CG ASN A 171 -2.249 -3.601 1.704 1.00 0.00 C ATOM 41 OD1 ASN A 171 -2.111 -2.357 2.095 1.00 0.00 O ATOM 42 ND2 ASN A 171 -1.561 -4.077 0.629 1.00 0.00 N ATOM 43 H21 ASN A 171 -0.919 -3.461 0.093 1.00 0.00 H ATOM 44 H22 ASN A 171 -1.408 -5.090 0.486 1.00 0.00 H ATOM 45 CB ASP A 184 -3.542 -1.724 -0.766 1.00 0.00 C ATOM 46 H ASP A 184 -4.443 -1.662 -1.377 1.00 0.00 H ATOM 47 HB1 ASP A 184 -3.680 -1.086 0.122 1.00 0.00 H ATOM 48 HB2 ASP A 184 -3.446 -2.767 -0.419 1.00 0.00 H ATOM 49 CG ASP A 184 -2.271 -1.347 -1.421 1.00 0.00 C ATOM 50 OD1 ASP A 184 -2.071 -1.101 -2.697 1.00 0.00 O ATOM 51 OD2 ASP A 184 -1.208 -1.237 -0.604 1.00 0.00 O ATOM 52 CA SER A 21 5.295 -2.000 -0.484 1.00 0.00 C ATOM 53 HA SER A 21 5.775 -2.810 0.093 1.00 0.00 H ATOM 54 H SER A 21 4.845 -1.272 0.213 1.00 0.00 H ATOM 55 H1 SER A 21 6.079 -1.477 -1.060 1.00 0.00 H ATOM 56 CB SER A 21 4.237 -2.568 -1.414 1.00 0.00 C ATOM 57 HB1 SER A 21 4.690 -3.237 -2.175 1.00 0.00 H ATOM 58 HB2 SER A 21 3.691 -1.756 -1.929 1.00 0.00 H ATOM 59 OG SER A 21 3.305 -3.338 -0.595 1.00 0.00 O ATOM 60 HG SER A 21 2.418 -3.475 -1.074 1.00 0.00 H HETATM 61 C5* ATP X 381 -2.430 3.163 2.879 1.00 0.00 C HETATM 62 H ATP X 381 -2.844 3.804 3.526 1.00 0.00 H HETATM 63 HC5 ATP X 381 -1.522 3.491 2.620 1.00 0.00 H HETATM 64 HC5 ATP X 381 -2.349 2.263 3.308 1.00 0.00 H HETATM 65 O5* ATP X 381 -3.308 3.051 1.699 1.00 0.00 O HETATM 66 PA ATP X 381 -2.826 2.026 0.569 1.00 0.00 P HETATM 67 O1A ATP X 381 -3.891 1.904 -0.467 1.00 0.00 O HETATM 68 O2A ATP X 381 -2.348 0.759 1.225 1.00 0.00 O HETATM 69 O3A ATP X 381 -1.555 2.824 -0.063 1.00 0.00 O HETATM 70 PB ATP X 381 -0.212 2.495 -0.957 1.00 0.00 P HETATM 71 O1B ATP X 381 -0.716 1.581 -2.115 1.00 0.00 O HETATM 72 O2B ATP X 381 0.437 3.738 -1.310 1.00 0.00 O HETATM 73 O3B ATP X 381 0.564 1.537 0.075 1.00 0.00 O HETATM 74 PG ATP X 381 1.663 0.252 0.053 1.00 0.00 P HETATM 75 O1G ATP X 381 2.969 0.716 0.534 1.00 0.00 O HETATM 76 O2G ATP X 381 0.918 -0.688 1.075 1.00 0.00 O HETATM 77 O3G ATP X 381 1.562 -0.308 -1.370 1.00 0.00 O HETATM 78 MG2 ATP X 381 -0.197 -0.317 -2.153 1.00 0.00 M HETATM 79 MG3 ATP X 381 -1.101 -0.708 1.417 1.00 0.00 M HETATM 80 O HOH X 447 -0.190 -0.216 3.276 1.00 0.00 O HETATM 81 H1 HOH X 447 -0.296 0.586 3.845 1.00 0.00 H HETATM 82 H2 HOH X 447 0.673 -0.158 2.743 1.00 0.00 H