Dataset 10. ATOM 1 CA GLY A 52 1.993 3.014 2.679 1.00 0.00 C ATOM 2 HA GLY A 52 2.251 2.236 3.412 1.00 0.00 H ATOM 3 H GLY A 52 1.478 2.665 2.029 1.00 0.00 H ATOM 4 H1 GLY A 52 1.467 3.768 3.158 1.00 0.00 H ATOM 5 C GLY A 52 3.275 3.650 2.203 1.00 0.00 C ATOM 6 O GLY A 52 3.925 3.017 1.169 1.00 0.00 N ATOM 7 N SER A 53 3.925 3.017 1.169 1.00 0.00 N ATOM 8 H SER A 53 3.546 2.143 0.759 1.00 0.00 H ATOM 9 CA SER A 53 5.116 3.654 0.592 1.00 0.00 C ATOM 10 HA SER A 53 5.777 4.009 1.396 1.00 0.00 H ATOM 11 H1 SER A 53 5.515 3.020 -0.071 1.00 0.00 H ATOM 12 H2 SER A 53 4.872 4.507 0.131 1.00 0.00 H ATOM 13 CE LYS A 72 -2.962 5.089 -2.109 1.00 0.00 C ATOM 14 H LYS A 72 -4.010 5.264 -1.865 1.00 0.00 H ATOM 15 HE2 LYS A 72 -2.637 5.701 -2.963 1.00 0.00 H ATOM 16 HE3 LYS A 72 -2.331 5.287 -1.232 1.00 0.00 H ATOM 17 NZ LYS A 72 -2.868 3.618 -2.427 1.00 0.00 N ATOM 18 HZ1 LYS A 72 -1.856 3.218 -2.351 1.00 0.00 H ATOM 19 HZ2 LYS A 72 -3.277 3.395 -3.355 1.00 0.00 H ATOM 20 HZ3 LYS A 72 -3.415 3.052 -1.650 1.00 0.00 H ATOM 21 CB ASP A 166 -0.117 -4.883 -3.421 1.00 0.00 C ATOM 22 H ASP A 166 -0.426 -5.923 -3.317 1.00 0.00 H ATOM 23 HB1 ASP A 166 0.226 -4.712 -4.455 1.00 0.00 H ATOM 24 HB2 ASP A 166 -0.997 -4.225 -3.295 1.00 0.00 H ATOM 25 CG ASP A 166 0.952 -4.452 -2.458 1.00 0.00 C ATOM 26 OD1 ASP A 166 1.179 -5.023 -1.326 1.00 0.00 O ATOM 27 OD2 ASP A 166 1.601 -3.336 -2.891 1.00 0.00 O ATOM 28 CE LYS A 168 1.014 -4.121 1.618 1.00 0.00 C ATOM 29 H LYS A 168 1.346 -5.079 2.019 1.00 0.00 H ATOM 30 HE2 LYS A 168 0.604 -4.320 0.620 1.00 0.00 H ATOM 31 HE3 LYS A 168 0.240 -3.690 2.271 1.00 0.00 H ATOM 32 NZ LYS A 168 2.088 -3.099 1.448 1.00 0.00 N ATOM 33 HZ1 LYS A 168 1.576 -2.233 0.896 1.00 0.00 H ATOM 34 HZ2 LYS A 168 2.828 -3.408 0.780 1.00 0.00 H ATOM 35 HZ3 LYS A 168 2.519 -2.772 2.335 1.00 0.00 H ATOM 36 CB ASN A 171 -3.425 -4.295 0.966 1.00 0.00 C ATOM 37 H ASN A 171 -3.989 -3.963 1.838 1.00 0.00 H ATOM 38 HB2 ASN A 171 -2.973 -5.278 1.188 1.00 0.00 H ATOM 39 HB3 ASN A 171 -4.135 -4.447 0.133 1.00 0.00 H ATOM 40 CG ASN A 171 -2.338 -3.326 0.517 1.00 0.00 C ATOM 41 OD1 ASN A 171 -2.083 -2.179 1.076 1.00 0.00 O ATOM 42 ND2 ASN A 171 -1.608 -3.713 -0.584 1.00 0.00 N ATOM 43 H21 ASN A 171 -0.833 -3.105 -0.892 1.00 0.00 H ATOM 44 H22 ASN A 171 -1.680 -4.657 -0.993 1.00 0.00 H ATOM 45 CB ASP A 184 -3.793 -0.973 -1.510 1.00 0.00 C ATOM 46 H ASP A 184 -4.554 -0.799 -2.271 1.00 0.00 H ATOM 47 HB1 ASP A 184 -3.924 -0.354 -0.611 1.00 0.00 H ATOM 48 HB2 ASP A 184 -3.779 -2.039 -1.234 1.00 0.00 H ATOM 49 CG ASP A 184 -2.539 -0.617 -2.272 1.00 0.00 C ATOM 50 OD1 ASP A 184 -2.694 -0.450 -3.569 1.00 0.00 O ATOM 51 OD2 ASP A 184 -1.346 -0.466 -1.682 1.00 0.00 O ATOM 52 CA SER A 21 5.361 -2.005 -0.544 1.00 0.00 C ATOM 53 HA SER A 21 5.310 -3.005 -0.077 1.00 0.00 H ATOM 54 H SER A 21 5.140 -1.231 0.207 1.00 0.00 H ATOM 55 H1 SER A 21 6.396 -1.861 -0.905 1.00 0.00 H ATOM 56 CB SER A 21 4.384 -1.900 -1.696 1.00 0.00 C ATOM 57 HB1 SER A 21 4.530 -2.692 -2.452 1.00 0.00 H ATOM 58 HB2 SER A 21 4.444 -0.917 -2.199 1.00 0.00 H ATOM 59 OG SER A 21 3.003 -2.088 -1.191 1.00 0.00 O ATOM 60 HG SER A 21 2.197 -2.885 -2.145 1.00 0.00 H HETATM 61 C5* ATP X 381 -2.640 2.942 3.144 1.00 0.00 C HETATM 62 H ATP X 381 -3.242 3.293 3.861 1.00 0.00 H HETATM 63 HC5 ATP X 381 -1.892 3.588 2.993 1.00 0.00 H HETATM 64 HC5 ATP X 381 -2.266 2.059 3.426 1.00 0.00 H HETATM 65 O5* ATP X 381 -3.503 2.827 1.961 1.00 0.00 O HETATM 66 PA ATP X 381 -2.934 2.126 0.639 1.00 0.00 P HETATM 67 O1A ATP X 381 -3.953 2.281 -0.448 1.00 0.00 O HETATM 68 O2A ATP X 381 -2.468 0.733 0.977 1.00 0.00 O HETATM 69 O3A ATP X 381 -1.657 3.075 0.294 1.00 0.00 O HETATM 70 PB ATP X 381 -0.182 2.696 -0.403 1.00 0.00 P HETATM 71 O1B ATP X 381 -0.566 2.433 -1.931 1.00 0.00 O HETATM 72 O2B ATP X 381 0.700 3.849 -0.219 1.00 0.00 O HETATM 73 O3B ATP X 381 0.186 1.340 0.211 1.00 0.00 O HETATM 74 PG ATP X 381 2.194 -0.651 -0.692 1.00 0.00 P HETATM 75 O1G ATP X 381 3.107 0.051 0.233 1.00 0.00 O HETATM 76 O2G ATP X 381 0.950 -1.370 -0.025 1.00 0.00 O HETATM 77 O3G ATP X 381 1.820 0.013 -1.994 1.00 0.00 O HETATM 78 MG2 ATP X 381 0.179 0.726 -2.716 1.00 0.00 M HETATM 79 MG3 ATP X 381 -0.891 -0.400 0.439 1.00 0.00 M HETATM 80 O HOH X 447 1.340 2.306 -3.749 1.00 0.00 O HETATM 81 H1 HOH X 447 2.313 2.252 -3.557 1.00 0.00 H HETATM 82 H2 HOH X 447 0.952 2.968 -3.098 1.00 0.00 H HETATM 83 O HOH X 477 -0.457 0.045 -4.484 1.00 0.00 O HETATM 84 H1 HOH X 477 -1.476 -0.195 -4.259 1.00 0.00 H HETATM 85 H2 HOH X 477 -0.308 0.461 -5.368 1.00 0.00 H HETATM 86 O HOH X 635 0.045 -0.213 2.410 1.00 0.00 O HETATM 87 H1 HOH X 635 -0.607 0.177 3.049 1.00 0.00 H HETATM 88 H2 HOH X 635 0.540 0.566 2.002 1.00 0.00 H