HETATM 1 C ACE A 0 4.927 5.568 3.396 1.00 0.00 C HETATM 2 O ACE A 0 3.912 4.982 3.820 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.201 5.531 4.214 1.00 0.00 C HETATM 4 H1 ACE A 0 6.367 4.527 4.575 1.00 0.00 H HETATM 5 H2 ACE A 0 6.111 6.206 5.052 1.00 0.00 H HETATM 6 H3 ACE A 0 7.034 5.834 3.596 1.00 0.00 H ATOM 7 N HIS A 1 5.004 6.279 2.217 1.00 0.00 N ATOM 8 CA HIS A 1 3.879 6.450 1.275 1.00 0.00 C ATOM 9 C HIS A 1 3.655 5.169 0.448 1.00 0.00 C ATOM 10 O HIS A 1 2.524 4.935 -0.013 1.00 0.00 O ATOM 11 CB HIS A 1 4.147 7.659 0.356 1.00 0.00 C ATOM 12 CG HIS A 1 2.927 8.194 -0.342 1.00 0.00 C ATOM 13 ND1 HIS A 1 1.835 8.702 0.332 1.00 0.00 N ATOM 14 CD2 HIS A 1 2.635 8.304 -1.661 1.00 0.00 C ATOM 15 CE1 HIS A 1 0.926 9.099 -0.542 1.00 0.00 C ATOM 16 NE2 HIS A 1 1.387 8.869 -1.756 1.00 0.00 N ATOM 17 H HIS A 1 5.858 6.708 1.996 1.00 0.00 H ATOM 18 HA HIS A 1 2.992 6.647 1.858 1.00 0.00 H ATOM 19 HB2 HIS A 1 4.562 8.462 0.947 1.00 0.00 H ATOM 20 HB3 HIS A 1 4.863 7.378 -0.402 1.00 0.00 H ATOM 21 HD1 HIS A 1 1.741 8.763 1.305 1.00 0.00 H ATOM 22 HD2 HIS A 1 3.267 8.004 -2.485 1.00 0.00 H ATOM 23 HE1 HIS A 1 -0.032 9.540 -0.302 1.00 0.00 H ATOM 24 HE2 HIS A 1 0.881 8.994 -2.586 1.00 0.00 H ATOM 25 N LYS A 2 4.766 4.363 0.268 1.00 0.00 N ATOM 26 CA LYS A 2 4.760 3.092 -0.510 1.00 0.00 C ATOM 27 C LYS A 2 3.999 1.941 0.182 1.00 0.00 C ATOM 28 O LYS A 2 3.224 1.219 -0.479 1.00 0.00 O ATOM 29 CB LYS A 2 6.191 2.626 -0.845 1.00 0.00 C ATOM 30 CG LYS A 2 6.918 3.478 -1.884 1.00 0.00 C ATOM 31 CD LYS A 2 8.270 2.872 -2.243 1.00 0.00 C ATOM 32 CE LYS A 2 9.028 3.712 -3.267 1.00 0.00 C ATOM 33 NZ LYS A 2 8.285 3.840 -4.553 1.00 0.00 N ATOM 34 H LYS A 2 5.609 4.654 0.672 1.00 0.00 H ATOM 35 HA LYS A 2 4.255 3.304 -1.439 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.781 2.623 0.057 1.00 0.00 H ATOM 37 HB3 LYS A 2 6.140 1.617 -1.223 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.313 3.536 -2.777 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.075 4.469 -1.488 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.867 2.796 -1.347 1.00 0.00 H ATOM 41 HD3 LYS A 2 8.110 1.885 -2.652 1.00 0.00 H ATOM 42 HE2 LYS A 2 9.195 4.697 -2.858 1.00 0.00 H ATOM 43 HE3 LYS A 2 9.982 3.241 -3.461 1.00 0.00 H ATOM 44 HZ1 LYS A 2 8.939 4.101 -5.319 1.00 0.00 H ATOM 45 HZ2 LYS A 2 7.553 4.574 -4.471 1.00 0.00 H ATOM 46 HZ3 LYS A 2 7.830 2.936 -4.793 1.00 0.00 H HETATM 47 C MK8 A 3 2.088 0.512 2.066 1.00 0.00 C HETATM 48 N MK8 A 3 4.256 1.724 1.539 1.00 0.00 N HETATM 49 O MK8 A 3 1.552 -0.544 1.647 1.00 0.00 O HETATM 50 CA MK8 A 3 3.646 0.606 2.363 1.00 0.00 C HETATM 51 CB MK8 A 3 3.862 0.929 3.906 1.00 0.00 C HETATM 52 CD MK8 A 3 1.785 -0.031 5.194 1.00 0.00 C HETATM 53 CE MK8 A 3 1.184 -0.738 6.430 1.00 0.00 C HETATM 54 CG MK8 A 3 3.307 -0.046 5.022 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.461 -0.681 1.970 1.00 0.00 C HETATM 56 HN MK8 A 3 4.902 2.308 1.982 1.00 0.00 H HETATM 57 HB MK8 A 3 3.429 1.903 4.092 1.00 0.00 H HETATM 58 HBA MK8 A 3 4.923 1.009 4.072 1.00 0.00 H HETATM 59 HD MK8 A 3 1.361 -0.499 4.314 1.00 0.00 H HETATM 60 HDA MK8 A 3 1.461 0.994 5.215 1.00 0.00 H HETATM 61 HE MK8 A 3 1.798 -0.758 7.319 1.00 0.00 H HETATM 62 HG MK8 A 3 3.765 0.222 5.965 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.601 -1.052 4.768 1.00 0.00 H HETATM 64 HB1 MK8 A 3 3.876 -1.284 1.291 1.00 0.00 H HETATM 65 HB1A MK8 A 3 4.682 -1.253 2.858 1.00 0.00 H HETATM 66 HB1B MK8 A 3 5.385 -0.390 1.491 1.00 0.00 H ATOM 67 N LEU A 4 1.375 1.674 2.361 1.00 0.00 N ATOM 68 CA LEU A 4 -0.102 1.808 2.219 1.00 0.00 C ATOM 69 C LEU A 4 -0.589 1.414 0.826 1.00 0.00 C ATOM 70 O LEU A 4 -1.730 0.921 0.711 1.00 0.00 O ATOM 71 CB LEU A 4 -0.591 3.227 2.599 1.00 0.00 C ATOM 72 CG LEU A 4 -2.116 3.387 2.850 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.533 2.895 4.244 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.532 4.837 2.660 1.00 0.00 C ATOM 75 H LEU A 4 1.874 2.440 2.716 1.00 0.00 H ATOM 76 HA LEU A 4 -0.537 1.112 2.915 1.00 0.00 H ATOM 77 HB2 LEU A 4 -0.074 3.530 3.498 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.312 3.902 1.803 1.00 0.00 H ATOM 79 HG LEU A 4 -2.652 2.795 2.124 1.00 0.00 H ATOM 80 HD11 LEU A 4 -1.718 3.039 4.937 1.00 0.00 H ATOM 81 HD12 LEU A 4 -2.779 1.843 4.194 1.00 0.00 H ATOM 82 HD13 LEU A 4 -3.397 3.449 4.579 1.00 0.00 H ATOM 83 HD21 LEU A 4 -2.419 5.110 1.621 1.00 0.00 H ATOM 84 HD22 LEU A 4 -1.909 5.474 3.270 1.00 0.00 H ATOM 85 HD23 LEU A 4 -3.565 4.956 2.952 1.00 0.00 H ATOM 86 N HIS A 5 0.299 1.622 -0.216 1.00 0.00 N ATOM 87 CA HIS A 5 0.007 1.280 -1.626 1.00 0.00 C ATOM 88 C HIS A 5 -0.210 -0.233 -1.730 1.00 0.00 C ATOM 89 O HIS A 5 -1.136 -0.689 -2.422 1.00 0.00 O ATOM 90 CB HIS A 5 1.150 1.748 -2.534 1.00 0.00 C ATOM 91 CG HIS A 5 0.723 2.120 -3.923 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.180 1.221 -4.817 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.761 3.313 -4.571 1.00 0.00 C ATOM 94 CE1 HIS A 5 -0.097 1.845 -5.951 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.245 3.112 -5.826 1.00 0.00 N ATOM 96 H HIS A 5 1.176 2.004 -0.007 1.00 0.00 H ATOM 97 HA HIS A 5 -0.903 1.784 -1.908 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.612 2.618 -2.090 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.883 0.960 -2.609 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.023 0.268 -4.648 1.00 0.00 H ATOM 101 HD2 HIS A 5 1.129 4.250 -4.174 1.00 0.00 H ATOM 102 HE1 HIS A 5 -0.530 1.396 -6.832 1.00 0.00 H ATOM 103 HE2 HIS A 5 0.033 3.818 -6.471 1.00 0.00 H ATOM 104 N GLN A 6 0.678 -0.983 -0.995 1.00 0.00 N ATOM 105 CA GLN A 6 0.664 -2.465 -0.916 1.00 0.00 C ATOM 106 C GLN A 6 -0.591 -3.020 -0.220 1.00 0.00 C ATOM 107 O GLN A 6 -1.274 -3.879 -0.797 1.00 0.00 O ATOM 108 CB GLN A 6 1.916 -2.977 -0.189 1.00 0.00 C ATOM 109 CG GLN A 6 3.172 -2.991 -1.050 1.00 0.00 C ATOM 110 CD GLN A 6 3.178 -4.127 -2.054 1.00 0.00 C ATOM 111 OE1 GLN A 6 2.266 -4.253 -2.869 1.00 0.00 O ATOM 112 NE2 GLN A 6 4.209 -4.960 -2.001 1.00 0.00 N ATOM 113 H GLN A 6 1.371 -0.492 -0.497 1.00 0.00 H ATOM 114 HA GLN A 6 0.678 -2.844 -1.926 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.104 -2.354 0.670 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.730 -3.984 0.149 1.00 0.00 H ATOM 117 HG2 GLN A 6 3.236 -2.063 -1.590 1.00 0.00 H ATOM 118 HG3 GLN A 6 4.034 -3.091 -0.407 1.00 0.00 H ATOM 119 HE21 GLN A 6 4.902 -4.799 -1.326 1.00 0.00 H ATOM 120 HE22 GLN A 6 4.235 -5.700 -2.638 1.00 0.00 H HETATM 121 C MK8 A 7 -3.363 -2.829 1.059 1.00 0.00 C HETATM 122 N MK8 A 7 -0.871 -2.533 1.050 1.00 0.00 N HETATM 123 O MK8 A 7 -4.345 -3.613 1.218 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.031 -2.969 1.900 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.172 -2.021 3.147 1.00 0.00 C HETATM 126 CD MK8 A 7 -1.180 -1.511 5.443 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.049 -1.356 6.529 1.00 0.00 C HETATM 128 CG MK8 A 7 -0.881 -1.629 3.933 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.791 -4.438 2.394 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.272 -1.874 1.427 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.853 -2.489 3.843 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.624 -1.101 2.809 1.00 0.00 H HETATM 133 HD MK8 A 7 -1.754 -2.395 5.706 1.00 0.00 H HETATM 134 HDA MK8 A 7 -1.830 -0.665 5.569 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.269 -1.788 7.497 1.00 0.00 H HETATM 136 HG MK8 A 7 -0.523 -0.673 3.575 1.00 0.00 H HETATM 137 HGA MK8 A 7 -0.128 -2.386 3.766 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -2.736 -4.886 2.666 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -1.141 -4.424 3.257 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -1.330 -5.014 1.607 1.00 0.00 H ATOM 141 N LEU A 8 -3.370 -1.757 0.181 1.00 0.00 N ATOM 142 CA LEU A 8 -4.515 -1.400 -0.700 1.00 0.00 C ATOM 143 C LEU A 8 -4.814 -2.498 -1.739 1.00 0.00 C ATOM 144 O LEU A 8 -5.983 -2.636 -2.150 1.00 0.00 O ATOM 145 CB LEU A 8 -4.257 -0.045 -1.403 1.00 0.00 C ATOM 146 CG LEU A 8 -5.470 0.623 -2.099 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.365 1.365 -1.104 1.00 0.00 C ATOM 148 CD2 LEU A 8 -4.995 1.575 -3.186 1.00 0.00 C ATOM 149 H LEU A 8 -2.573 -1.183 0.154 1.00 0.00 H ATOM 150 HA LEU A 8 -5.382 -1.293 -0.066 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.877 0.645 -0.664 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.491 -0.198 -2.148 1.00 0.00 H ATOM 153 HG LEU A 8 -6.067 -0.143 -2.570 1.00 0.00 H ATOM 154 HD11 LEU A 8 -5.819 1.543 -0.191 1.00 0.00 H ATOM 155 HD12 LEU A 8 -7.238 0.765 -0.891 1.00 0.00 H ATOM 156 HD13 LEU A 8 -6.673 2.308 -1.531 1.00 0.00 H ATOM 157 HD21 LEU A 8 -5.159 2.594 -2.868 1.00 0.00 H ATOM 158 HD22 LEU A 8 -5.548 1.388 -4.095 1.00 0.00 H ATOM 159 HD23 LEU A 8 -3.942 1.419 -3.367 1.00 0.00 H ATOM 160 N GLN A 9 -3.728 -3.242 -2.171 1.00 0.00 N ATOM 161 CA GLN A 9 -3.816 -4.318 -3.198 1.00 0.00 C ATOM 162 C GLN A 9 -4.297 -5.675 -2.652 1.00 0.00 C ATOM 163 O GLN A 9 -5.231 -6.253 -3.242 1.00 0.00 O ATOM 164 CB GLN A 9 -2.479 -4.498 -3.932 1.00 0.00 C ATOM 165 CG GLN A 9 -2.360 -3.637 -5.184 1.00 0.00 C ATOM 166 CD GLN A 9 -1.348 -4.177 -6.182 1.00 0.00 C ATOM 167 OE1 GLN A 9 -1.440 -5.325 -6.611 1.00 0.00 O ATOM 168 NE2 GLN A 9 -0.386 -3.344 -6.574 1.00 0.00 N ATOM 169 H GLN A 9 -2.848 -3.028 -1.796 1.00 0.00 H ATOM 170 HA GLN A 9 -4.541 -3.982 -3.928 1.00 0.00 H ATOM 171 HB2 GLN A 9 -1.673 -4.235 -3.263 1.00 0.00 H ATOM 172 HB3 GLN A 9 -2.374 -5.534 -4.221 1.00 0.00 H ATOM 173 HG2 GLN A 9 -3.326 -3.594 -5.665 1.00 0.00 H ATOM 174 HG3 GLN A 9 -2.061 -2.641 -4.892 1.00 0.00 H ATOM 175 HE21 GLN A 9 -0.379 -2.438 -6.205 1.00 0.00 H ATOM 176 HE22 GLN A 9 0.277 -3.672 -7.220 1.00 0.00 H ATOM 177 N ASP A 10 -3.618 -6.189 -1.557 1.00 0.00 N ATOM 178 CA ASP A 10 -3.922 -7.515 -0.936 1.00 0.00 C ATOM 179 C ASP A 10 -5.306 -7.563 -0.241 1.00 0.00 C ATOM 180 O ASP A 10 -5.858 -8.669 -0.085 1.00 0.00 O ATOM 181 CB ASP A 10 -2.803 -7.917 0.054 1.00 0.00 C ATOM 182 CG ASP A 10 -2.952 -9.341 0.572 1.00 0.00 C ATOM 183 OD1 ASP A 10 -2.903 -10.279 -0.250 1.00 0.00 O ATOM 184 OD2 ASP A 10 -3.119 -9.514 1.797 1.00 0.00 O ATOM 185 H ASP A 10 -2.870 -5.667 -1.191 1.00 0.00 H ATOM 186 HA ASP A 10 -3.928 -8.242 -1.739 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.847 -7.845 -0.445 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.808 -7.247 0.900 1.00 0.00 H ATOM 189 N SER A 11 -5.828 -6.358 0.192 1.00 0.00 N ATOM 190 CA SER A 11 -7.129 -6.212 0.906 1.00 0.00 C ATOM 191 C SER A 11 -8.354 -6.160 -0.059 1.00 0.00 C ATOM 192 O SER A 11 -9.467 -5.792 0.351 1.00 0.00 O ATOM 193 CB SER A 11 -7.052 -4.960 1.810 1.00 0.00 C ATOM 194 OG SER A 11 -5.934 -5.029 2.680 1.00 0.00 O ATOM 195 H SER A 11 -5.300 -5.549 0.038 1.00 0.00 H ATOM 196 HA SER A 11 -7.244 -7.081 1.541 1.00 0.00 H ATOM 197 HB2 SER A 11 -6.961 -4.077 1.197 1.00 0.00 H ATOM 198 HB3 SER A 11 -7.951 -4.893 2.406 1.00 0.00 H ATOM 199 HG SER A 11 -6.237 -5.122 3.586 1.00 0.00 H HETATM 200 N NH2 A 12 -8.275 -6.907 -1.160 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -7.478 -7.440 -1.306 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -9.035 -6.891 -1.782 1.00 0.00 H TER 203 NH2 A 12