HETATM 1 C ACE A 0 5.216 5.532 3.420 1.00 0.00 C HETATM 2 O ACE A 0 4.193 4.986 3.876 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.518 5.428 4.188 1.00 0.00 C HETATM 4 H1 ACE A 0 6.314 5.456 5.248 1.00 0.00 H HETATM 5 H2 ACE A 0 7.160 6.256 3.923 1.00 0.00 H HETATM 6 H3 ACE A 0 7.009 4.498 3.940 1.00 0.00 H ATOM 7 N HIS A 1 5.277 6.256 2.247 1.00 0.00 N ATOM 8 CA HIS A 1 4.123 6.490 1.353 1.00 0.00 C ATOM 9 C HIS A 1 3.804 5.235 0.518 1.00 0.00 C ATOM 10 O HIS A 1 2.645 5.065 0.098 1.00 0.00 O ATOM 11 CB HIS A 1 4.408 7.698 0.438 1.00 0.00 C ATOM 12 CG HIS A 1 3.180 8.309 -0.177 1.00 0.00 C ATOM 13 ND1 HIS A 1 2.291 7.594 -0.952 1.00 0.00 N ATOM 14 CD2 HIS A 1 2.699 9.577 -0.130 1.00 0.00 C ATOM 15 CE1 HIS A 1 1.319 8.394 -1.355 1.00 0.00 C ATOM 16 NE2 HIS A 1 1.543 9.600 -0.870 1.00 0.00 N ATOM 17 H HIS A 1 6.140 6.652 1.998 1.00 0.00 H ATOM 18 HA HIS A 1 3.269 6.720 1.974 1.00 0.00 H ATOM 19 HB2 HIS A 1 4.903 8.465 1.014 1.00 0.00 H ATOM 20 HB3 HIS A 1 5.059 7.389 -0.366 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.363 6.643 -1.174 1.00 0.00 H ATOM 22 HD2 HIS A 1 3.145 10.415 0.389 1.00 0.00 H ATOM 23 HE1 HIS A 1 0.482 8.108 -1.974 1.00 0.00 H ATOM 24 HE2 HIS A 1 1.039 10.406 -1.109 1.00 0.00 H ATOM 25 N LYS A 2 4.864 4.376 0.283 1.00 0.00 N ATOM 26 CA LYS A 2 4.763 3.120 -0.512 1.00 0.00 C ATOM 27 C LYS A 2 3.972 2.000 0.195 1.00 0.00 C ATOM 28 O LYS A 2 3.132 1.333 -0.441 1.00 0.00 O ATOM 29 CB LYS A 2 6.155 2.588 -0.912 1.00 0.00 C ATOM 30 CG LYS A 2 6.871 3.409 -1.986 1.00 0.00 C ATOM 31 CD LYS A 2 8.152 2.720 -2.452 1.00 0.00 C ATOM 32 CE LYS A 2 8.904 3.539 -3.502 1.00 0.00 C ATOM 33 NZ LYS A 2 8.084 3.791 -4.722 1.00 0.00 N ATOM 34 H LYS A 2 5.736 4.615 0.658 1.00 0.00 H ATOM 35 HA LYS A 2 4.232 3.371 -1.416 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.784 2.561 -0.038 1.00 0.00 H ATOM 37 HB3 LYS A 2 6.041 1.581 -1.284 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.213 3.530 -2.834 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.126 4.377 -1.586 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.798 2.575 -1.600 1.00 0.00 H ATOM 41 HD3 LYS A 2 7.896 1.759 -2.876 1.00 0.00 H ATOM 42 HE2 LYS A 2 9.188 4.487 -3.069 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.796 2.998 -3.787 1.00 0.00 H ATOM 44 HZ1 LYS A 2 7.853 4.803 -4.794 1.00 0.00 H ATOM 45 HZ2 LYS A 2 7.199 3.248 -4.678 1.00 0.00 H ATOM 46 HZ3 LYS A 2 8.611 3.505 -5.573 1.00 0.00 H HETATM 47 C MK8 A 3 2.088 0.570 2.098 1.00 0.00 C HETATM 48 N MK8 A 3 4.277 1.748 1.534 1.00 0.00 N HETATM 49 O MK8 A 3 1.524 -0.507 1.779 1.00 0.00 O HETATM 50 CA MK8 A 3 3.649 0.650 2.371 1.00 0.00 C HETATM 51 CB MK8 A 3 3.881 0.977 3.911 1.00 0.00 C HETATM 52 CD MK8 A 3 1.808 0.029 5.226 1.00 0.00 C HETATM 53 CE MK8 A 3 1.205 -0.667 6.466 1.00 0.00 C HETATM 54 CG MK8 A 3 3.332 0.009 5.038 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.445 -0.640 1.972 1.00 0.00 C HETATM 56 HN MK8 A 3 4.975 2.286 1.953 1.00 0.00 H HETATM 57 HB MK8 A 3 3.454 1.953 4.098 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.944 1.055 4.067 1.00 0.00 H HETATM 59 HD MK8 A 3 1.376 -0.440 4.350 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.489 1.055 5.243 1.00 0.00 H HETATM 61 HE MK8 A 3 1.820 -0.684 7.355 1.00 0.00 H HETATM 62 HG MK8 A 3 3.799 0.283 5.976 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.623 -0.999 4.790 1.00 0.00 H HETATM 64 HB1 MK8 A 3 3.788 -1.497 2.024 1.00 0.00 H HETATM 65 HB1A MK8 A 3 5.272 -0.780 2.652 1.00 0.00 H HETATM 66 HB1B MK8 A 3 4.821 -0.534 0.965 1.00 0.00 H ATOM 67 N LEU A 4 1.406 1.770 2.300 1.00 0.00 N ATOM 68 CA LEU A 4 -0.069 1.922 2.161 1.00 0.00 C ATOM 69 C LEU A 4 -0.568 1.451 0.797 1.00 0.00 C ATOM 70 O LEU A 4 -1.653 0.840 0.735 1.00 0.00 O ATOM 71 CB LEU A 4 -0.542 3.366 2.462 1.00 0.00 C ATOM 72 CG LEU A 4 -2.065 3.543 2.725 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.469 3.129 4.149 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.487 4.979 2.460 1.00 0.00 C ATOM 75 H LEU A 4 1.925 2.553 2.585 1.00 0.00 H ATOM 76 HA LEU A 4 -0.508 1.273 2.898 1.00 0.00 H ATOM 77 HB2 LEU A 4 -0.010 3.718 3.334 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.272 3.991 1.624 1.00 0.00 H ATOM 79 HG LEU A 4 -2.609 2.912 2.038 1.00 0.00 H ATOM 80 HD11 LEU A 4 -2.893 3.975 4.666 1.00 0.00 H ATOM 81 HD12 LEU A 4 -1.597 2.780 4.683 1.00 0.00 H ATOM 82 HD13 LEU A 4 -3.199 2.333 4.099 1.00 0.00 H ATOM 83 HD21 LEU A 4 -2.177 5.268 1.468 1.00 0.00 H ATOM 84 HD22 LEU A 4 -2.026 5.629 3.188 1.00 0.00 H ATOM 85 HD23 LEU A 4 -3.562 5.056 2.538 1.00 0.00 H ATOM 86 N HIS A 5 0.250 1.730 -0.284 1.00 0.00 N ATOM 87 CA HIS A 5 -0.058 1.336 -1.679 1.00 0.00 C ATOM 88 C HIS A 5 -0.222 -0.189 -1.760 1.00 0.00 C ATOM 89 O HIS A 5 -1.104 -0.685 -2.482 1.00 0.00 O ATOM 90 CB HIS A 5 1.053 1.825 -2.617 1.00 0.00 C ATOM 91 CG HIS A 5 0.604 2.061 -4.027 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.129 1.063 -4.853 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.559 3.203 -4.759 1.00 0.00 C ATOM 94 CE1 HIS A 5 -0.188 1.582 -6.028 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.063 2.876 -5.994 1.00 0.00 N ATOM 96 H HIS A 5 1.088 2.210 -0.118 1.00 0.00 H ATOM 97 HA HIS A 5 -0.989 1.800 -1.958 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.444 2.759 -2.239 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.844 1.092 -2.638 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.040 0.116 -4.615 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.858 4.190 -4.432 1.00 0.00 H ATOM 102 HE1 HIS A 5 -0.586 1.042 -6.873 1.00 0.00 H ATOM 103 HE2 HIS A 5 -0.078 3.500 -6.735 1.00 0.00 H ATOM 104 N GLN A 6 0.660 -0.899 -0.977 1.00 0.00 N ATOM 105 CA GLN A 6 0.688 -2.381 -0.881 1.00 0.00 C ATOM 106 C GLN A 6 -0.544 -2.968 -0.158 1.00 0.00 C ATOM 107 O GLN A 6 -1.164 -3.903 -0.686 1.00 0.00 O ATOM 108 CB GLN A 6 1.972 -2.868 -0.183 1.00 0.00 C ATOM 109 CG GLN A 6 3.144 -3.135 -1.126 1.00 0.00 C ATOM 110 CD GLN A 6 4.302 -3.829 -0.435 1.00 0.00 C ATOM 111 OE1 GLN A 6 4.820 -3.344 0.570 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.727 -4.965 -0.979 1.00 0.00 N ATOM 113 H GLN A 6 1.317 -0.382 -0.463 1.00 0.00 H ATOM 114 HA GLN A 6 0.688 -2.761 -1.890 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.286 -2.126 0.534 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.750 -3.783 0.344 1.00 0.00 H ATOM 117 HG2 GLN A 6 2.801 -3.759 -1.933 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.502 -2.202 -1.525 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.276 -5.289 -1.786 1.00 0.00 H ATOM 120 HE22 GLN A 6 5.476 -5.430 -0.553 1.00 0.00 H HETATM 121 C MK8 A 7 -3.356 -2.748 1.101 1.00 0.00 C HETATM 122 N MK8 A 7 -0.879 -2.422 1.079 1.00 0.00 N HETATM 123 O MK8 A 7 -4.358 -3.494 1.320 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.026 -2.878 1.938 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.172 -1.938 3.191 1.00 0.00 C HETATM 126 CD MK8 A 7 -1.167 -1.434 5.487 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.031 -1.276 6.569 1.00 0.00 C HETATM 128 CG MK8 A 7 -0.881 -1.532 3.972 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.788 -4.349 2.441 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.336 -1.700 1.416 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.839 -2.422 3.890 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.642 -1.024 2.864 1.00 0.00 H HETATM 133 HD MK8 A 7 -1.724 -2.330 5.745 1.00 0.00 H HETATM 134 HDA MK8 A 7 -1.829 -0.600 5.630 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.252 -1.700 7.540 1.00 0.00 H HETATM 136 HG MK8 A 7 -0.544 -0.566 3.621 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.116 -2.275 3.792 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -1.259 -4.324 3.384 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -1.201 -4.888 1.715 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -2.740 -4.841 2.574 1.00 0.00 H ATOM 141 N LEU A 8 -3.351 -1.724 0.164 1.00 0.00 N ATOM 142 CA LEU A 8 -4.507 -1.387 -0.715 1.00 0.00 C ATOM 143 C LEU A 8 -4.860 -2.523 -1.694 1.00 0.00 C ATOM 144 O LEU A 8 -6.053 -2.688 -2.016 1.00 0.00 O ATOM 145 CB LEU A 8 -4.253 -0.066 -1.485 1.00 0.00 C ATOM 146 CG LEU A 8 -5.481 0.587 -2.178 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.359 1.363 -1.192 1.00 0.00 C ATOM 148 CD2 LEU A 8 -5.024 1.503 -3.303 1.00 0.00 C ATOM 149 H LEU A 8 -2.544 -1.168 0.097 1.00 0.00 H ATOM 150 HA LEU A 8 -5.357 -1.235 -0.065 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.845 0.652 -0.789 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.511 -0.262 -2.243 1.00 0.00 H ATOM 153 HG LEU A 8 -6.090 -0.191 -2.614 1.00 0.00 H ATOM 154 HD11 LEU A 8 -6.863 2.164 -1.712 1.00 0.00 H ATOM 155 HD12 LEU A 8 -5.742 1.775 -0.407 1.00 0.00 H ATOM 156 HD13 LEU A 8 -7.092 0.696 -0.761 1.00 0.00 H ATOM 157 HD21 LEU A 8 -4.813 2.484 -2.904 1.00 0.00 H ATOM 158 HD22 LEU A 8 -5.805 1.577 -4.045 1.00 0.00 H ATOM 159 HD23 LEU A 8 -4.133 1.098 -3.757 1.00 0.00 H ATOM 160 N GLN A 9 -3.798 -3.269 -2.178 1.00 0.00 N ATOM 161 CA GLN A 9 -3.943 -4.378 -3.164 1.00 0.00 C ATOM 162 C GLN A 9 -4.378 -5.716 -2.543 1.00 0.00 C ATOM 163 O GLN A 9 -5.291 -6.360 -3.097 1.00 0.00 O ATOM 164 CB GLN A 9 -2.649 -4.587 -3.963 1.00 0.00 C ATOM 165 CG GLN A 9 -2.499 -3.627 -5.134 1.00 0.00 C ATOM 166 CD GLN A 9 -1.584 -4.161 -6.225 1.00 0.00 C ATOM 167 OE1 GLN A 9 -1.830 -5.228 -6.787 1.00 0.00 O ATOM 168 NE2 GLN A 9 -0.527 -3.418 -6.539 1.00 0.00 N ATOM 169 H GLN A 9 -2.896 -3.032 -1.877 1.00 0.00 H ATOM 170 HA GLN A 9 -4.709 -4.071 -3.863 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.804 -4.451 -3.305 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.635 -5.596 -4.348 1.00 0.00 H ATOM 173 HG2 GLN A 9 -3.475 -3.449 -5.562 1.00 0.00 H ATOM 174 HG3 GLN A 9 -2.093 -2.696 -4.769 1.00 0.00 H ATOM 175 HE21 GLN A 9 -0.392 -2.578 -6.055 1.00 0.00 H ATOM 176 HE22 GLN A 9 0.072 -3.738 -7.248 1.00 0.00 H ATOM 177 N ASP A 10 -3.680 -6.137 -1.424 1.00 0.00 N ATOM 178 CA ASP A 10 -3.930 -7.430 -0.724 1.00 0.00 C ATOM 179 C ASP A 10 -5.305 -7.496 -0.017 1.00 0.00 C ATOM 180 O ASP A 10 -5.636 -8.572 0.524 1.00 0.00 O ATOM 181 CB ASP A 10 -2.792 -7.731 0.278 1.00 0.00 C ATOM 182 CG ASP A 10 -2.877 -9.134 0.862 1.00 0.00 C ATOM 183 OD1 ASP A 10 -2.831 -10.105 0.079 1.00 0.00 O ATOM 184 OD2 ASP A 10 -2.993 -9.256 2.098 1.00 0.00 O ATOM 185 H ASP A 10 -2.953 -5.568 -1.095 1.00 0.00 H ATOM 186 HA ASP A 10 -3.914 -8.200 -1.484 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.840 -7.637 -0.224 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.833 -7.024 1.091 1.00 0.00 H ATOM 189 N SER A 11 -6.091 -6.349 -0.035 1.00 0.00 N ATOM 190 CA SER A 11 -7.440 -6.260 0.599 1.00 0.00 C ATOM 191 C SER A 11 -8.551 -6.853 -0.344 1.00 0.00 C ATOM 192 O SER A 11 -8.604 -8.073 -0.489 1.00 0.00 O ATOM 193 CB SER A 11 -7.704 -4.812 1.099 1.00 0.00 C ATOM 194 OG SER A 11 -7.327 -3.860 0.121 1.00 0.00 O ATOM 195 H SER A 11 -5.738 -5.555 -0.489 1.00 0.00 H ATOM 196 HA SER A 11 -7.401 -6.905 1.471 1.00 0.00 H ATOM 197 HB2 SER A 11 -8.757 -4.697 1.302 1.00 0.00 H ATOM 198 HB3 SER A 11 -7.145 -4.632 2.007 1.00 0.00 H ATOM 199 HG SER A 11 -8.110 -3.544 -0.337 1.00 0.00 H HETATM 200 N NH2 A 12 -9.442 -6.052 -0.979 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -9.389 -5.084 -0.842 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -10.112 -6.478 -1.553 1.00 0.00 H TER 203 NH2 A 12