HETATM 1 C ACE A 0 5.061 5.458 3.343 1.00 0.00 C HETATM 2 O ACE A 0 4.032 4.922 3.796 1.00 0.00 O HETATM 3 CH3 ACE A 0 6.347 5.396 4.146 1.00 0.00 C HETATM 4 H1 ACE A 0 6.123 5.529 5.195 1.00 0.00 H HETATM 5 H2 ACE A 0 7.014 6.181 3.820 1.00 0.00 H HETATM 6 H3 ACE A 0 6.820 4.437 3.998 1.00 0.00 H ATOM 7 N HIS A 1 5.144 6.138 2.147 1.00 0.00 N ATOM 8 CA HIS A 1 4.010 6.331 1.217 1.00 0.00 C ATOM 9 C HIS A 1 3.717 5.052 0.413 1.00 0.00 C ATOM 10 O HIS A 1 2.550 4.829 0.039 1.00 0.00 O ATOM 11 CB HIS A 1 4.302 7.516 0.274 1.00 0.00 C ATOM 12 CG HIS A 1 3.084 8.097 -0.389 1.00 0.00 C ATOM 13 ND1 HIS A 1 2.237 7.358 -1.188 1.00 0.00 N ATOM 14 CD2 HIS A 1 2.582 9.356 -0.375 1.00 0.00 C ATOM 15 CE1 HIS A 1 1.268 8.136 -1.637 1.00 0.00 C ATOM 16 NE2 HIS A 1 1.453 9.352 -1.158 1.00 0.00 N ATOM 17 H HIS A 1 6.009 6.531 1.904 1.00 0.00 H ATOM 18 HA HIS A 1 3.140 6.567 1.812 1.00 0.00 H ATOM 19 HB2 HIS A 1 4.775 8.304 0.839 1.00 0.00 H ATOM 20 HB3 HIS A 1 4.977 7.192 -0.504 1.00 0.00 H ATOM 21 HD1 HIS A 1 2.332 6.405 -1.395 1.00 0.00 H ATOM 22 HD2 HIS A 1 2.993 10.207 0.150 1.00 0.00 H ATOM 23 HE1 HIS A 1 0.461 7.830 -2.286 1.00 0.00 H ATOM 24 HE2 HIS A 1 0.948 10.147 -1.428 1.00 0.00 H ATOM 25 N LYS A 2 4.804 4.232 0.160 1.00 0.00 N ATOM 26 CA LYS A 2 4.721 2.957 -0.604 1.00 0.00 C ATOM 27 C LYS A 2 3.992 1.860 0.182 1.00 0.00 C ATOM 28 O LYS A 2 3.217 1.092 -0.402 1.00 0.00 O ATOM 29 CB LYS A 2 6.113 2.450 -1.033 1.00 0.00 C ATOM 30 CG LYS A 2 6.818 3.326 -2.068 1.00 0.00 C ATOM 31 CD LYS A 2 8.150 2.717 -2.494 1.00 0.00 C ATOM 32 CE LYS A 2 8.934 3.632 -3.433 1.00 0.00 C ATOM 33 NZ LYS A 2 9.272 4.937 -2.798 1.00 0.00 N ATOM 34 H LYS A 2 5.675 4.510 0.506 1.00 0.00 H ATOM 35 HA LYS A 2 4.147 3.164 -1.493 1.00 0.00 H ATOM 36 HB2 LYS A 2 6.747 2.378 -0.164 1.00 0.00 H ATOM 37 HB3 LYS A 2 5.999 1.464 -1.456 1.00 0.00 H ATOM 38 HG2 LYS A 2 6.183 3.419 -2.936 1.00 0.00 H ATOM 39 HG3 LYS A 2 7.000 4.301 -1.648 1.00 0.00 H ATOM 40 HD2 LYS A 2 8.746 2.534 -1.613 1.00 0.00 H ATOM 41 HD3 LYS A 2 7.958 1.782 -2.999 1.00 0.00 H ATOM 42 HE2 LYS A 2 9.851 3.134 -3.711 1.00 0.00 H ATOM 43 HE3 LYS A 2 8.346 3.814 -4.321 1.00 0.00 H ATOM 44 HZ1 LYS A 2 10.237 4.905 -2.410 1.00 0.00 H ATOM 45 HZ2 LYS A 2 8.607 5.143 -2.026 1.00 0.00 H ATOM 46 HZ3 LYS A 2 9.218 5.702 -3.500 1.00 0.00 H HETATM 47 C MK8 A 3 2.087 0.717 2.268 1.00 0.00 C HETATM 48 N MK8 A 3 4.263 1.795 1.538 1.00 0.00 N HETATM 49 O MK8 A 3 1.495 -0.378 2.040 1.00 0.00 O HETATM 50 CA MK8 A 3 3.674 0.798 2.492 1.00 0.00 C HETATM 51 CB MK8 A 3 4.073 1.296 3.936 1.00 0.00 C HETATM 52 CD MK8 A 3 2.022 1.413 5.406 1.00 0.00 C HETATM 53 CE MK8 A 3 0.907 0.729 6.260 1.00 0.00 C HETATM 54 CG MK8 A 3 3.356 0.707 5.185 1.00 0.00 C HETATM 55 CB1 MK8 A 3 4.412 -0.551 2.262 1.00 0.00 C HETATM 56 HN MK8 A 3 4.893 2.444 1.907 1.00 0.00 H HETATM 57 HB MK8 A 3 3.936 2.367 3.959 1.00 0.00 H HETATM 58 HBA MK8 A 3 5.125 1.099 4.065 1.00 0.00 H HETATM 59 HD MK8 A 3 1.612 1.623 4.430 1.00 0.00 H HETATM 60 HDA MK8 A 3 2.240 2.358 5.880 1.00 0.00 H HETATM 61 HE MK8 A 3 0.951 0.887 7.331 1.00 0.00 H HETATM 62 HG MK8 A 3 3.989 0.857 6.048 1.00 0.00 H HETATM 63 HGA MK8 A 3 3.183 -0.349 5.035 1.00 0.00 H HETATM 64 HB1 MK8 A 3 5.035 -0.772 3.117 1.00 0.00 H HETATM 65 HB1A MK8 A 3 5.028 -0.478 1.379 1.00 0.00 H HETATM 66 HB1B MK8 A 3 3.687 -1.341 2.130 1.00 0.00 H ATOM 67 N LEU A 4 1.436 1.937 2.385 1.00 0.00 N ATOM 68 CA LEU A 4 -0.035 2.118 2.257 1.00 0.00 C ATOM 69 C LEU A 4 -0.564 1.594 0.921 1.00 0.00 C ATOM 70 O LEU A 4 -1.701 1.083 0.876 1.00 0.00 O ATOM 71 CB LEU A 4 -0.434 3.602 2.444 1.00 0.00 C ATOM 72 CG LEU A 4 -1.935 3.888 2.720 1.00 0.00 C ATOM 73 CD1 LEU A 4 -2.319 3.628 4.180 1.00 0.00 C ATOM 74 CD2 LEU A 4 -2.273 5.322 2.350 1.00 0.00 C ATOM 75 H LEU A 4 1.979 2.728 2.588 1.00 0.00 H ATOM 76 HA LEU A 4 -0.494 1.544 3.047 1.00 0.00 H ATOM 77 HB2 LEU A 4 0.139 4.003 3.266 1.00 0.00 H ATOM 78 HB3 LEU A 4 -0.156 4.135 1.547 1.00 0.00 H ATOM 79 HG LEU A 4 -2.538 3.239 2.103 1.00 0.00 H ATOM 80 HD11 LEU A 4 -3.341 3.284 4.227 1.00 0.00 H ATOM 81 HD12 LEU A 4 -2.220 4.542 4.744 1.00 0.00 H ATOM 82 HD13 LEU A 4 -1.665 2.875 4.595 1.00 0.00 H ATOM 83 HD21 LEU A 4 -3.111 5.331 1.669 1.00 0.00 H ATOM 84 HD22 LEU A 4 -1.419 5.782 1.879 1.00 0.00 H ATOM 85 HD23 LEU A 4 -2.531 5.870 3.245 1.00 0.00 H ATOM 86 N HIS A 5 0.284 1.745 -0.154 1.00 0.00 N ATOM 87 CA HIS A 5 -0.039 1.321 -1.533 1.00 0.00 C ATOM 88 C HIS A 5 -0.220 -0.203 -1.618 1.00 0.00 C ATOM 89 O HIS A 5 -1.150 -0.667 -2.304 1.00 0.00 O ATOM 90 CB HIS A 5 1.059 1.808 -2.497 1.00 0.00 C ATOM 91 CG HIS A 5 0.668 1.817 -3.950 1.00 0.00 C ATOM 92 ND1 HIS A 5 0.418 0.671 -4.675 1.00 0.00 N ATOM 93 CD2 HIS A 5 0.495 2.849 -4.813 1.00 0.00 C ATOM 94 CE1 HIS A 5 0.113 0.998 -5.920 1.00 0.00 C ATOM 95 NE2 HIS A 5 0.151 2.312 -6.028 1.00 0.00 N ATOM 96 H HIS A 5 1.153 2.170 0.003 1.00 0.00 H ATOM 97 HA HIS A 5 -0.969 1.789 -1.806 1.00 0.00 H ATOM 98 HB2 HIS A 5 1.333 2.817 -2.230 1.00 0.00 H ATOM 99 HB3 HIS A 5 1.924 1.171 -2.392 1.00 0.00 H ATOM 100 HD1 HIS A 5 0.458 -0.246 -4.331 1.00 0.00 H ATOM 101 HD2 HIS A 5 0.602 3.902 -4.586 1.00 0.00 H ATOM 102 HE1 HIS A 5 -0.120 0.309 -6.716 1.00 0.00 H ATOM 103 HE2 HIS A 5 0.094 2.809 -6.870 1.00 0.00 H ATOM 104 N GLN A 6 0.707 -0.954 -0.922 1.00 0.00 N ATOM 105 CA GLN A 6 0.725 -2.436 -0.895 1.00 0.00 C ATOM 106 C GLN A 6 -0.485 -3.051 -0.169 1.00 0.00 C ATOM 107 O GLN A 6 -1.075 -4.005 -0.697 1.00 0.00 O ATOM 108 CB GLN A 6 2.033 -2.984 -0.283 1.00 0.00 C ATOM 109 CG GLN A 6 3.081 -3.398 -1.314 1.00 0.00 C ATOM 110 CD GLN A 6 3.771 -4.705 -0.960 1.00 0.00 C ATOM 111 OE1 GLN A 6 3.119 -5.719 -0.712 1.00 0.00 O ATOM 112 NE2 GLN A 6 5.101 -4.693 -0.954 1.00 0.00 N ATOM 113 H GLN A 6 1.405 -0.474 -0.439 1.00 0.00 H ATOM 114 HA GLN A 6 0.683 -2.759 -1.925 1.00 0.00 H ATOM 115 HB2 GLN A 6 2.473 -2.231 0.347 1.00 0.00 H ATOM 116 HB3 GLN A 6 1.797 -3.847 0.319 1.00 0.00 H ATOM 117 HG2 GLN A 6 2.605 -3.508 -2.273 1.00 0.00 H ATOM 118 HG3 GLN A 6 3.834 -2.625 -1.374 1.00 0.00 H ATOM 119 HE21 GLN A 6 5.560 -3.856 -1.176 1.00 0.00 H ATOM 120 HE22 GLN A 6 5.570 -5.523 -0.727 1.00 0.00 H HETATM 121 C MK8 A 7 -3.345 -2.813 1.109 1.00 0.00 C HETATM 122 N MK8 A 7 -0.854 -2.512 1.069 1.00 0.00 N HETATM 123 O MK8 A 7 -4.380 -3.500 1.364 1.00 0.00 O HETATM 124 CA MK8 A 7 -2.007 -3.016 1.918 1.00 0.00 C HETATM 125 CB MK8 A 7 -2.136 -2.130 3.226 1.00 0.00 C HETATM 126 CD MK8 A 7 -0.494 -0.475 4.351 1.00 0.00 C HETATM 127 CE MK8 A 7 -0.143 -0.055 5.811 1.00 0.00 C HETATM 128 CG MK8 A 7 -0.885 -1.930 4.146 1.00 0.00 C HETATM 129 CB1 MK8 A 7 -1.809 -4.541 2.315 1.00 0.00 C HETATM 130 HN MK8 A 7 -0.345 -1.752 1.413 1.00 0.00 H HETATM 131 HB MK8 A 7 -2.916 -2.566 3.835 1.00 0.00 H HETATM 132 HBA MK8 A 7 -2.466 -1.147 2.929 1.00 0.00 H HETATM 133 HD MK8 A 7 -1.315 0.140 4.007 1.00 0.00 H HETATM 134 HDA MK8 A 7 0.368 -0.270 3.728 1.00 0.00 H HETATM 135 HE MK8 A 7 -0.806 -0.431 6.573 1.00 0.00 H HETATM 136 HG MK8 A 7 -0.052 -2.468 3.719 1.00 0.00 H HETATM 137 HGA MK8 A 7 -1.116 -2.352 5.117 1.00 0.00 H HETATM 138 HB1 MK8 A 7 -2.624 -5.124 1.918 1.00 0.00 H HETATM 139 HB1A MK8 A 7 -1.791 -4.632 3.392 1.00 0.00 H HETATM 140 HB1B MK8 A 7 -0.873 -4.895 1.910 1.00 0.00 H ATOM 141 N LEU A 8 -3.310 -1.797 0.166 1.00 0.00 N ATOM 142 CA LEU A 8 -4.470 -1.402 -0.681 1.00 0.00 C ATOM 143 C LEU A 8 -4.911 -2.519 -1.643 1.00 0.00 C ATOM 144 O LEU A 8 -6.128 -2.697 -1.843 1.00 0.00 O ATOM 145 CB LEU A 8 -4.171 -0.097 -1.462 1.00 0.00 C ATOM 146 CG LEU A 8 -5.386 0.619 -2.114 1.00 0.00 C ATOM 147 CD1 LEU A 8 -6.201 1.433 -1.101 1.00 0.00 C ATOM 148 CD2 LEU A 8 -4.920 1.519 -3.246 1.00 0.00 C ATOM 149 H LEU A 8 -2.478 -1.287 0.074 1.00 0.00 H ATOM 150 HA LEU A 8 -5.291 -1.206 -0.007 1.00 0.00 H ATOM 151 HB2 LEU A 8 -3.701 0.599 -0.783 1.00 0.00 H ATOM 152 HB3 LEU A 8 -3.468 -0.333 -2.245 1.00 0.00 H ATOM 153 HG LEU A 8 -6.043 -0.127 -2.538 1.00 0.00 H ATOM 154 HD11 LEU A 8 -6.858 0.772 -0.554 1.00 0.00 H ATOM 155 HD12 LEU A 8 -6.790 2.172 -1.624 1.00 0.00 H ATOM 156 HD13 LEU A 8 -5.532 1.927 -0.413 1.00 0.00 H ATOM 157 HD21 LEU A 8 -4.025 1.107 -3.688 1.00 0.00 H ATOM 158 HD22 LEU A 8 -4.710 2.504 -2.858 1.00 0.00 H ATOM 159 HD23 LEU A 8 -5.695 1.584 -3.995 1.00 0.00 H ATOM 160 N GLN A 9 -3.896 -3.233 -2.254 1.00 0.00 N ATOM 161 CA GLN A 9 -4.122 -4.321 -3.245 1.00 0.00 C ATOM 162 C GLN A 9 -4.457 -5.675 -2.603 1.00 0.00 C ATOM 163 O GLN A 9 -5.342 -6.382 -3.124 1.00 0.00 O ATOM 164 CB GLN A 9 -2.896 -4.488 -4.162 1.00 0.00 C ATOM 165 CG GLN A 9 -2.669 -3.344 -5.147 1.00 0.00 C ATOM 166 CD GLN A 9 -3.693 -3.301 -6.270 1.00 0.00 C ATOM 167 OE1 GLN A 9 -4.890 -3.154 -6.029 1.00 0.00 O ATOM 168 NE2 GLN A 9 -3.220 -3.433 -7.508 1.00 0.00 N ATOM 169 H GLN A 9 -2.973 -2.989 -2.039 1.00 0.00 H ATOM 170 HA GLN A 9 -4.962 -4.024 -3.855 1.00 0.00 H ATOM 171 HB2 GLN A 9 -2.012 -4.575 -3.550 1.00 0.00 H ATOM 172 HB3 GLN A 9 -3.013 -5.400 -4.730 1.00 0.00 H ATOM 173 HG2 GLN A 9 -2.712 -2.411 -4.609 1.00 0.00 H ATOM 174 HG3 GLN A 9 -1.687 -3.459 -5.583 1.00 0.00 H ATOM 175 HE21 GLN A 9 -2.253 -3.550 -7.625 1.00 0.00 H ATOM 176 HE22 GLN A 9 -3.857 -3.403 -8.255 1.00 0.00 H ATOM 177 N ASP A 10 -3.714 -6.027 -1.491 1.00 0.00 N ATOM 178 CA ASP A 10 -3.870 -7.310 -0.758 1.00 0.00 C ATOM 179 C ASP A 10 -5.219 -7.392 -0.029 1.00 0.00 C ATOM 180 O ASP A 10 -5.526 -8.447 0.560 1.00 0.00 O ATOM 181 CB ASP A 10 -2.695 -7.518 0.219 1.00 0.00 C ATOM 182 CG ASP A 10 -2.713 -8.878 0.899 1.00 0.00 C ATOM 183 OD1 ASP A 10 -2.667 -9.899 0.183 1.00 0.00 O ATOM 184 OD2 ASP A 10 -2.772 -8.918 2.145 1.00 0.00 O ATOM 185 H ASP A 10 -3.033 -5.399 -1.179 1.00 0.00 H ATOM 186 HA ASP A 10 -3.844 -8.099 -1.496 1.00 0.00 H ATOM 187 HB2 ASP A 10 -1.765 -7.434 -0.325 1.00 0.00 H ATOM 188 HB3 ASP A 10 -2.726 -6.755 0.980 1.00 0.00 H ATOM 189 N SER A 11 -6.008 -6.262 -0.098 1.00 0.00 N ATOM 190 CA SER A 11 -7.345 -6.142 0.525 1.00 0.00 C ATOM 191 C SER A 11 -8.429 -6.758 -0.373 1.00 0.00 C ATOM 192 O SER A 11 -9.150 -7.659 0.056 1.00 0.00 O ATOM 193 CB SER A 11 -7.639 -4.663 0.862 1.00 0.00 C ATOM 194 OG SER A 11 -9.026 -4.417 1.058 1.00 0.00 O ATOM 195 H SER A 11 -5.665 -5.495 -0.599 1.00 0.00 H ATOM 196 HA SER A 11 -7.321 -6.706 1.449 1.00 0.00 H ATOM 197 HB2 SER A 11 -7.124 -4.409 1.777 1.00 0.00 H ATOM 198 HB3 SER A 11 -7.274 -4.027 0.067 1.00 0.00 H ATOM 199 HG SER A 11 -9.366 -5.011 1.732 1.00 0.00 H HETATM 200 N NH2 A 12 -8.404 -6.426 -1.663 1.00 0.00 N HETATM 201 HN1 NH2 A 12 -7.710 -5.811 -1.972 1.00 0.00 H HETATM 202 HN2 NH2 A 12 -9.081 -6.822 -2.255 1.00 0.00 H TER 203 NH2 A 12