HETATM 1 C ACE A 0 5.118 5.261 3.493 1.00 0.00 C HETATM 2 O ACE A 0 4.043 4.771 3.888 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.366 5.096 4.337 1.00 0.00 C HETATM 4 H1 ACE A 0 6.593 6.029 4.832 1.00 0.00 H HETATM 5 H2 ACE A 0 7.195 4.815 3.704 1.00 0.00 H HETATM 6 H3 ACE A 0 6.202 4.327 5.078 1.00 0.00 H ATOM 7 N HIS A 1 5.284 5.975 2.324 1.00 0.00 N ATOM 8 CA HIS A 1 4.198 6.263 1.362 1.00 0.00 C ATOM 9 C HIS A 1 3.863 5.026 0.510 1.00 0.00 C ATOM 10 O HIS A 1 2.710 4.894 0.061 1.00 0.00 O ATOM 11 CB HIS A 1 4.601 7.450 0.463 1.00 0.00 C ATOM 12 CG HIS A 1 3.451 8.124 -0.231 1.00 0.00 C ATOM 13 ND1 HIS A 1 2.594 7.461 -1.084 1.00 0.00 N ATOM 14 CD2 HIS A 1 3.028 9.411 -0.202 1.00 0.00 C ATOM 15 CE1 HIS A 1 1.695 8.311 -1.551 1.00 0.00 C ATOM 16 NE2 HIS A 1 1.936 9.500 -1.030 1.00 0.00 N ATOM 17 H HIS A 1 6.179 6.325 2.126 1.00 0.00 H ATOM 18 HA HIS A 1 3.322 6.539 1.930 1.00 0.00 H ATOM 19 HB2 HIS A 1 5.100 8.193 1.066 1.00 0.00 H ATOM 20 HB3 HIS A 1 5.285 7.103 -0.298 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.638 6.510 -1.315 1.00 0.00 H ATOM 22 HD2 HIS A 1 3.469 10.220 0.364 1.00 0.00 H ATOM 23 HE1 HIS A 1 0.899 8.073 -2.241 1.00 0.00 H ATOM 24 HE2 HIS A 1 1.491 10.332 -1.295 1.00 0.00 H ATOM 25 N LYS A 2 4.902 4.136 0.300 1.00 0.00 N ATOM 26 CA LYS A 2 4.781 2.886 -0.502 1.00 0.00 C ATOM 27 C LYS A 2 3.938 1.809 0.192 1.00 0.00 C ATOM 28 O LYS A 2 3.110 1.144 -0.462 1.00 0.00 O ATOM 29 CB LYS A 2 6.158 2.298 -0.855 1.00 0.00 C ATOM 30 CG LYS A 2 6.910 3.052 -1.948 1.00 0.00 C ATOM 31 CD LYS A 2 8.224 2.360 -2.288 1.00 0.00 C ATOM 32 CE LYS A 2 9.031 3.136 -3.326 1.00 0.00 C ATOM 33 NZ LYS A 2 10.289 2.427 -3.693 1.00 0.00 N ATOM 34 H LYS A 2 5.769 4.344 0.704 1.00 0.00 H ATOM 35 HA LYS A 2 4.284 3.154 -1.420 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.773 2.285 0.029 1.00 0.00 H ATOM 37 HB3 LYS A 2 6.018 1.282 -1.189 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.292 3.088 -2.834 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.120 4.055 -1.613 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.813 2.270 -1.388 1.00 0.00 H ATOM 41 HD3 LYS A 2 8.008 1.376 -2.677 1.00 0.00 H ATOM 42 HE2 LYS A 2 8.431 3.262 -4.215 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.283 4.106 -2.921 1.00 0.00 H ATOM 44 HZ1 LYS A 2 10.359 2.335 -4.727 1.00 0.00 H ATOM 45 HZ2 LYS A 2 10.302 1.478 -3.270 1.00 0.00 H ATOM 46 HZ3 LYS A 2 11.113 2.960 -3.346 1.00 0.00 H HETATM 47 C MK8 A 3 1.920 0.600 2.113 1.00 0.00 C HETATM 48 N MK8 A 3 4.176 1.606 1.550 1.00 0.00 N HETATM 49 O MK8 A 3 1.285 -0.421 1.769 1.00 0.00 O HETATM 50 CA MK8 A 3 3.484 0.571 2.401 1.00 0.00 C HETATM 51 CB MK8 A 3 3.774 0.919 3.923 1.00 0.00 C HETATM 52 CD MK8 A 3 1.606 0.586 5.288 1.00 0.00 C HETATM 53 CE MK8 A 3 0.721 -0.143 6.341 1.00 0.00 C HETATM 54 CG MK8 A 3 3.044 0.121 5.066 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.177 -0.788 2.065 1.00 0.00 C HETATM 56 HN MK8 A 3 4.859 2.155 1.982 1.00 0.00 H HETATM 57 HB MK8 A 3 3.544 1.967 4.064 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.831 0.793 4.087 1.00 0.00 H HETATM 59 HD MK8 A 3 1.105 0.507 4.333 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.637 1.626 5.556 1.00 0.00 H HETATM 61 HE MK8 A 3 0.852 0.159 7.369 1.00 0.00 H HETATM 62 HG MK8 A 3 3.600 0.245 5.985 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.026 -0.925 4.801 1.00 0.00 H HETATM 64 HB1 MK8 A 3 4.662 -0.716 1.102 1.00 0.00 H HETATM 65 HB1A MK8 A 3 3.437 -1.573 2.036 1.00 0.00 H HETATM 66 HB1B MK8 A 3 4.912 -1.014 2.824 1.00 0.00 H ATOM 67 N LEU A 4 1.336 1.837 2.332 1.00 0.00 N ATOM 68 CA LEU A 4 -0.115 2.125 2.187 1.00 0.00 C ATOM 69 C LEU A 4 -0.671 1.650 0.839 1.00 0.00 C ATOM 70 O LEU A 4 -1.844 1.232 0.783 1.00 0.00 O ATOM 71 CB LEU A 4 -0.398 3.660 2.374 1.00 0.00 C ATOM 72 CG LEU A 4 -1.816 4.171 2.865 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.999 3.779 1.963 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.111 3.772 4.312 1.00 0.00 C ATOM 75 H LEU A 4 1.918 2.567 2.635 1.00 0.00 H ATOM 76 HA LEU A 4 -0.626 1.586 2.969 1.00 0.00 H ATOM 77 HB2 LEU A 4 0.324 4.029 3.086 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.193 4.139 1.427 1.00 0.00 H ATOM 79 HG LEU A 4 -1.781 5.251 2.851 1.00 0.00 H ATOM 80 HD11 LEU A 4 -2.864 4.210 0.985 1.00 0.00 H ATOM 81 HD12 LEU A 4 -3.917 4.147 2.398 1.00 0.00 H ATOM 82 HD13 LEU A 4 -3.046 2.702 1.883 1.00 0.00 H ATOM 83 HD21 LEU A 4 -3.167 3.898 4.509 1.00 0.00 H ATOM 84 HD22 LEU A 4 -1.544 4.402 4.981 1.00 0.00 H ATOM 85 HD23 LEU A 4 -1.836 2.741 4.464 1.00 0.00 H ATOM 86 N HIS A 5 0.194 1.731 -0.238 1.00 0.00 N ATOM 87 CA HIS A 5 -0.159 1.331 -1.621 1.00 0.00 C ATOM 88 C HIS A 5 -0.393 -0.186 -1.713 1.00 0.00 C ATOM 89 O HIS A 5 -1.375 -0.610 -2.352 1.00 0.00 O ATOM 90 CB HIS A 5 0.939 1.801 -2.595 1.00 0.00 C ATOM 91 CG HIS A 5 0.534 1.815 -4.044 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.267 0.670 -4.764 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.356 2.849 -4.905 1.00 0.00 C ATOM 94 CE1 HIS A 5 -0.052 0.998 -6.005 1.00 0.00 C ATOM 95 NE2 HIS A 5 -0.006 2.311 -6.114 1.00 0.00 N ATOM 96 H HIS A 5 1.096 2.080 -0.081 1.00 0.00 H ATOM 97 HA HIS A 5 -1.083 1.828 -1.877 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.231 2.807 -2.332 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.795 1.151 -2.498 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.307 -0.246 -4.419 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.473 3.900 -4.682 1.00 0.00 H ATOM 102 HE1 HIS A 5 -0.304 0.308 -6.796 1.00 0.00 H ATOM 103 HE2 HIS A 5 -0.136 2.814 -6.945 1.00 0.00 H ATOM 104 N GLN A 6 0.530 -0.978 -1.058 1.00 0.00 N ATOM 105 CA GLN A 6 0.474 -2.467 -1.026 1.00 0.00 C ATOM 106 C GLN A 6 -0.744 -2.967 -0.244 1.00 0.00 C ATOM 107 O GLN A 6 -1.363 -3.965 -0.633 1.00 0.00 O ATOM 108 CB GLN A 6 1.753 -3.061 -0.412 1.00 0.00 C ATOM 109 CG GLN A 6 2.970 -3.037 -1.329 1.00 0.00 C ATOM 110 CD GLN A 6 3.069 -4.262 -2.214 1.00 0.00 C ATOM 111 OE1 GLN A 6 2.167 -4.554 -2.997 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.177 -4.985 -2.092 1.00 0.00 N ATOM 113 H GLN A 6 1.268 -0.525 -0.590 1.00 0.00 H ATOM 114 HA GLN A 6 0.382 -2.810 -2.046 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.002 -2.517 0.485 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.555 -4.088 -0.146 1.00 0.00 H ATOM 117 HG2 GLN A 6 2.912 -2.172 -1.964 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.862 -2.976 -0.722 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.855 -4.692 -1.446 1.00 0.00 H ATOM 120 HE22 GLN A 6 4.274 -5.779 -2.654 1.00 0.00 H HETATM 121 C MK8 A 7 -3.532 -2.473 0.937 1.00 0.00 C HETATM 122 N MK8 A 7 -1.077 -2.238 0.880 1.00 0.00 N HETATM 123 O MK8 A 7 -4.526 -3.216 1.159 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.223 -2.535 1.800 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.349 -1.401 2.875 1.00 0.00 C HETATM 126 CD MK8 A 7 -0.648 -1.785 4.749 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.225 -1.134 6.111 1.00 0.00 C HETATM 128 CG MK8 A 7 -1.058 -0.895 3.577 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -2.026 -3.912 2.525 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.536 -1.471 1.080 1.00 0.00 H HETATM 131 HB MK8 A 7 -3.026 -1.748 3.642 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.797 -0.546 2.397 1.00 0.00 H HETATM 133 HD MK8 A 7 0.175 -2.403 4.411 1.00 0.00 H HETATM 134 HDA MK8 A 7 -1.479 -2.431 4.961 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.733 -1.507 6.987 1.00 0.00 H HETATM 136 HG MK8 A 7 -1.224 0.109 3.938 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.260 -0.886 2.862 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -0.974 -4.076 2.711 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -2.408 -4.707 1.902 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -2.561 -3.904 3.464 1.00 0.00 H ATOM 141 N LEU A 8 -3.494 -1.505 -0.049 1.00 0.00 N ATOM 142 CA LEU A 8 -4.602 -1.215 -0.987 1.00 0.00 C ATOM 143 C LEU A 8 -4.899 -2.418 -1.892 1.00 0.00 C ATOM 144 O LEU A 8 -6.071 -2.653 -2.237 1.00 0.00 O ATOM 145 CB LEU A 8 -4.243 0.029 -1.872 1.00 0.00 C ATOM 146 CG LEU A 8 -5.375 0.973 -2.450 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.412 0.275 -3.355 1.00 0.00 C ATOM 148 CD2 LEU A 8 -6.073 1.770 -1.343 1.00 0.00 C ATOM 149 H LEU A 8 -2.683 -0.958 -0.119 1.00 0.00 H ATOM 150 HA LEU A 8 -5.482 -0.988 -0.404 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.591 0.656 -1.284 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.669 -0.336 -2.711 1.00 0.00 H ATOM 153 HG LEU A 8 -4.881 1.699 -3.081 1.00 0.00 H ATOM 154 HD11 LEU A 8 -6.842 -0.564 -2.828 1.00 0.00 H ATOM 155 HD12 LEU A 8 -5.930 -0.074 -4.256 1.00 0.00 H ATOM 156 HD13 LEU A 8 -7.193 0.976 -3.614 1.00 0.00 H ATOM 157 HD21 LEU A 8 -6.956 2.246 -1.742 1.00 0.00 H ATOM 158 HD22 LEU A 8 -5.399 2.526 -0.965 1.00 0.00 H ATOM 159 HD23 LEU A 8 -6.352 1.104 -0.541 1.00 0.00 H ATOM 160 N GLN A 9 -3.793 -3.142 -2.292 1.00 0.00 N ATOM 161 CA GLN A 9 -3.846 -4.315 -3.202 1.00 0.00 C ATOM 162 C GLN A 9 -4.222 -5.638 -2.510 1.00 0.00 C ATOM 163 O GLN A 9 -5.166 -6.305 -2.976 1.00 0.00 O ATOM 164 CB GLN A 9 -2.507 -4.478 -3.950 1.00 0.00 C ATOM 165 CG GLN A 9 -2.281 -3.472 -5.086 1.00 0.00 C ATOM 166 CD GLN A 9 -3.226 -3.648 -6.275 1.00 0.00 C ATOM 167 OE1 GLN A 9 -4.446 -3.610 -6.122 1.00 0.00 O ATOM 168 NE2 GLN A 9 -2.661 -3.827 -7.468 1.00 0.00 N ATOM 169 H GLN A 9 -2.912 -2.840 -1.978 1.00 0.00 H ATOM 170 HA GLN A 9 -4.604 -4.102 -3.941 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.701 -4.360 -3.240 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.459 -5.475 -4.365 1.00 0.00 H ATOM 173 HG2 GLN A 9 -2.413 -2.477 -4.695 1.00 0.00 H ATOM 174 HG3 GLN A 9 -1.265 -3.581 -5.441 1.00 0.00 H ATOM 175 HE21 GLN A 9 -1.683 -3.837 -7.520 1.00 0.00 H ATOM 176 HE22 GLN A 9 -3.247 -3.936 -8.248 1.00 0.00 H ATOM 177 N ASP A 10 -3.429 -6.029 -1.441 1.00 0.00 N ATOM 178 CA ASP A 10 -3.602 -7.312 -0.703 1.00 0.00 C ATOM 179 C ASP A 10 -4.919 -7.414 0.110 1.00 0.00 C ATOM 180 O ASP A 10 -5.161 -8.490 0.692 1.00 0.00 O ATOM 181 CB ASP A 10 -2.362 -7.586 0.186 1.00 0.00 C ATOM 182 CG ASP A 10 -2.359 -8.976 0.795 1.00 0.00 C ATOM 183 OD1 ASP A 10 -2.985 -9.170 1.856 1.00 0.00 O ATOM 184 OD2 ASP A 10 -1.731 -9.875 0.202 1.00 0.00 O ATOM 185 H ASP A 10 -2.675 -5.451 -1.191 1.00 0.00 H ATOM 186 HA ASP A 10 -3.633 -8.090 -1.455 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.471 -7.495 -0.416 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.315 -6.866 0.989 1.00 0.00 H ATOM 189 N SER A 11 -5.783 -6.311 0.114 1.00 0.00 N ATOM 190 CA SER A 11 -7.096 -6.293 0.832 1.00 0.00 C ATOM 191 C SER A 11 -8.210 -6.987 -0.038 1.00 0.00 C ATOM 192 O SER A 11 -8.133 -8.203 -0.214 1.00 0.00 O ATOM 193 CB SER A 11 -7.419 -4.851 1.300 1.00 0.00 C ATOM 194 OG SER A 11 -6.494 -4.422 2.284 1.00 0.00 O ATOM 195 H SER A 11 -5.525 -5.509 -0.395 1.00 0.00 H ATOM 196 HA SER A 11 -6.966 -6.908 1.719 1.00 0.00 H ATOM 197 HB2 SER A 11 -7.367 -4.182 0.458 1.00 0.00 H ATOM 198 HB3 SER A 11 -8.411 -4.824 1.725 1.00 0.00 H ATOM 199 HG SER A 11 -6.921 -4.413 3.143 1.00 0.00 H HETATM 200 N NH2 A 12 -9.273 -6.298 -0.533 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -9.356 -5.340 -0.340 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -9.922 -6.793 -1.078 1.00 0.00 H TER 203 NH2 A 12