HETATM 1 C ACE A 1 -0.052 -21.212 10.860 1.00 0.00 C HETATM 2 O ACE A 1 1.162 -21.383 10.968 1.00 0.00 O HETATM 3 CH3 ACE A 1 -0.833 -20.456 11.930 1.00 0.00 C HETATM 4 H1 ACE A 1 -1.117 -19.485 11.550 1.00 0.00 H HETATM 5 H2 ACE A 1 -0.217 -20.334 12.807 1.00 0.00 H HETATM 6 H3 ACE A 1 -1.721 -21.013 12.188 1.00 0.00 H ATOM 7 N PRO A 2 -0.728 -21.661 9.839 1.00 0.00 N ATOM 8 CA PRO A 2 -0.105 -22.421 8.721 1.00 0.00 C ATOM 9 C PRO A 2 1.218 -21.803 8.274 1.00 0.00 C ATOM 10 O PRO A 2 1.509 -20.645 8.575 1.00 0.00 O ATOM 11 CB PRO A 2 -1.147 -22.357 7.591 1.00 0.00 C ATOM 12 CG PRO A 2 -2.310 -21.567 8.115 1.00 0.00 C ATOM 13 CD PRO A 2 -2.164 -21.495 9.633 1.00 0.00 C ATOM 14 HA PRO A 2 0.046 -23.447 9.010 1.00 0.00 H ATOM 15 HB2 PRO A 2 -0.723 -21.865 6.727 1.00 0.00 H ATOM 16 HB3 PRO A 2 -1.470 -23.352 7.329 1.00 0.00 H ATOM 17 HG2 PRO A 2 -2.297 -20.570 7.693 1.00 0.00 H ATOM 18 HG3 PRO A 2 -3.235 -22.061 7.864 1.00 0.00 H ATOM 19 HD2 PRO A 2 -2.497 -20.534 10.002 1.00 0.00 H ATOM 20 HD3 PRO A 2 -2.706 -22.297 10.108 1.00 0.00 H ATOM 21 N PRO A 3 2.015 -22.555 7.566 1.00 0.00 N ATOM 22 CA PRO A 3 3.334 -22.087 7.062 1.00 0.00 C ATOM 23 C PRO A 3 3.242 -20.702 6.427 1.00 0.00 C ATOM 24 O PRO A 3 2.847 -20.566 5.270 1.00 0.00 O ATOM 25 CB PRO A 3 3.746 -23.136 6.017 1.00 0.00 C ATOM 26 CG PRO A 3 2.647 -24.156 5.959 1.00 0.00 C ATOM 27 CD PRO A 3 1.745 -23.938 7.172 1.00 0.00 C ATOM 28 HA PRO A 3 4.055 -22.079 7.863 1.00 0.00 H ATOM 29 HB2 PRO A 3 3.864 -22.665 5.051 1.00 0.00 H ATOM 30 HB3 PRO A 3 4.668 -23.608 6.314 1.00 0.00 H ATOM 31 HG2 PRO A 3 2.079 -24.031 5.048 1.00 0.00 H ATOM 32 HG3 PRO A 3 3.068 -25.149 5.996 1.00 0.00 H ATOM 33 HD2 PRO A 3 0.706 -24.062 6.896 1.00 0.00 H ATOM 34 HD3 PRO A 3 2.010 -24.614 7.969 1.00 0.00 H ATOM 35 N THR A 4 3.611 -19.679 7.192 1.00 0.00 N ATOM 36 CA THR A 4 3.575 -18.311 6.686 1.00 0.00 C ATOM 37 C THR A 4 4.721 -17.492 7.271 1.00 0.00 C ATOM 38 O THR A 4 5.188 -17.762 8.377 1.00 0.00 O ATOM 39 CB THR A 4 2.243 -17.650 7.052 1.00 0.00 C ATOM 40 OG1 THR A 4 2.057 -17.743 8.448 1.00 0.00 O ATOM 41 CG2 THR A 4 1.094 -18.379 6.354 1.00 0.00 C ATOM 42 H THR A 4 3.911 -19.846 8.109 1.00 0.00 H ATOM 43 HA THR A 4 3.670 -18.330 5.611 1.00 0.00 H ATOM 44 HB THR A 4 2.255 -16.621 6.745 1.00 0.00 H ATOM 45 HG21 THR A 4 1.421 -18.714 5.381 1.00 0.00 H ATOM 46 HG22 THR A 4 0.257 -17.707 6.241 1.00 0.00 H ATOM 47 HG23 THR A 4 0.796 -19.231 6.946 1.00 0.00 H ATOM 48 N THR A 5 5.165 -16.486 6.524 1.00 0.00 N ATOM 49 CA THR A 5 6.254 -15.632 6.983 1.00 0.00 C ATOM 50 C THR A 5 5.724 -14.272 7.427 1.00 0.00 C ATOM 51 O THR A 5 4.819 -13.715 6.805 1.00 0.00 O ATOM 52 CB THR A 5 7.281 -15.442 5.863 1.00 0.00 C ATOM 53 OG1 THR A 5 6.632 -14.861 4.753 1.00 0.00 O ATOM 54 CG2 THR A 5 7.848 -16.800 5.447 1.00 0.00 C ATOM 55 H THR A 5 4.750 -16.312 5.654 1.00 0.00 H ATOM 56 HA THR A 5 6.741 -16.107 7.821 1.00 0.00 H ATOM 57 HB THR A 5 8.082 -14.805 6.205 1.00 0.00 H ATOM 58 HG21 THR A 5 7.520 -17.555 6.146 1.00 0.00 H ATOM 59 HG22 THR A 5 8.927 -16.755 5.448 1.00 0.00 H ATOM 60 HG23 THR A 5 7.498 -17.049 4.456 1.00 0.00 H ATOM 61 N THR A 6 6.294 -13.741 8.504 1.00 0.00 N ATOM 62 CA THR A 6 5.871 -12.443 9.022 1.00 0.00 C ATOM 63 C THR A 6 6.888 -11.365 8.657 1.00 0.00 C ATOM 64 O THR A 6 8.083 -11.526 8.885 1.00 0.00 O ATOM 65 CB THR A 6 5.713 -12.509 10.554 1.00 0.00 C ATOM 66 OG1 THR A 6 6.988 -12.694 11.128 1.00 0.00 O ATOM 67 CG2 THR A 6 4.823 -13.695 10.940 1.00 0.00 C ATOM 68 H THR A 6 7.012 -14.230 8.959 1.00 0.00 H ATOM 69 HA THR A 6 4.919 -12.187 8.582 1.00 0.00 H ATOM 70 HB THR A 6 5.269 -11.593 10.919 1.00 0.00 H ATOM 71 HG21 THR A 6 4.332 -13.487 11.879 1.00 0.00 H ATOM 72 HG22 THR A 6 5.429 -14.584 11.039 1.00 0.00 H ATOM 73 HG23 THR A 6 4.079 -13.851 10.172 1.00 0.00 H ATOM 74 N THR A 7 6.410 -10.264 8.092 1.00 0.00 N ATOM 75 CA THR A 7 7.303 -9.179 7.709 1.00 0.00 C ATOM 76 C THR A 7 7.265 -8.058 8.744 1.00 0.00 C ATOM 77 O THR A 7 6.270 -7.883 9.449 1.00 0.00 O ATOM 78 CB THR A 7 6.894 -8.631 6.338 1.00 0.00 C ATOM 79 OG1 THR A 7 5.557 -8.177 6.413 1.00 0.00 O ATOM 80 CG2 THR A 7 6.981 -9.740 5.289 1.00 0.00 C ATOM 81 H THR A 7 5.446 -10.181 7.932 1.00 0.00 H ATOM 82 HA THR A 7 8.310 -9.561 7.644 1.00 0.00 H ATOM 83 HB THR A 7 7.549 -7.821 6.059 1.00 0.00 H ATOM 84 HG21 THR A 7 6.093 -10.352 5.339 1.00 0.00 H ATOM 85 HG22 THR A 7 7.850 -10.351 5.483 1.00 0.00 H ATOM 86 HG23 THR A 7 7.061 -9.301 4.307 1.00 0.00 H ATOM 87 N LYS A 8 8.355 -7.302 8.828 1.00 0.00 N ATOM 88 CA LYS A 8 8.437 -6.199 9.778 1.00 0.00 C ATOM 89 C LYS A 8 7.720 -4.970 9.231 1.00 0.00 C ATOM 90 O LYS A 8 7.977 -4.538 8.107 1.00 0.00 O ATOM 91 CB LYS A 8 9.902 -5.857 10.056 1.00 0.00 C ATOM 92 CG LYS A 8 10.296 -6.381 11.440 1.00 0.00 C ATOM 93 CD LYS A 8 9.671 -5.493 12.518 1.00 0.00 C ATOM 94 CE LYS A 8 9.032 -6.371 13.595 1.00 0.00 C ATOM 95 NZ LYS A 8 7.784 -6.983 13.060 1.00 0.00 N ATOM 96 H LYS A 8 9.116 -7.489 8.239 1.00 0.00 H ATOM 97 HA LYS A 8 7.967 -6.497 10.704 1.00 0.00 H ATOM 98 HB2 LYS A 8 10.528 -6.317 9.305 1.00 0.00 H ATOM 99 HB3 LYS A 8 10.034 -4.787 10.029 1.00 0.00 H ATOM 100 HG2 LYS A 8 9.940 -7.394 11.555 1.00 0.00 H ATOM 101 HG3 LYS A 8 11.371 -6.362 11.539 1.00 0.00 H ATOM 102 HD2 LYS A 8 10.438 -4.875 12.963 1.00 0.00 H ATOM 103 HD3 LYS A 8 8.915 -4.864 12.073 1.00 0.00 H ATOM 104 HE2 LYS A 8 9.724 -7.150 13.881 1.00 0.00 H ATOM 105 HE3 LYS A 8 8.795 -5.766 14.458 1.00 0.00 H ATOM 106 HZ1 LYS A 8 7.376 -7.619 13.774 1.00 0.00 H ATOM 107 HZ2 LYS A 8 8.006 -7.525 12.200 1.00 0.00 H ATOM 108 HZ3 LYS A 8 7.099 -6.235 12.834 1.00 0.00 H ATOM 109 N LYS A 9 6.818 -4.413 10.033 1.00 0.00 N ATOM 110 CA LYS A 9 6.066 -3.234 9.620 1.00 0.00 C ATOM 111 C LYS A 9 7.006 -2.052 9.400 1.00 0.00 C ATOM 112 O LYS A 9 8.092 -1.994 9.976 1.00 0.00 O ATOM 113 CB LYS A 9 5.031 -2.873 10.686 1.00 0.00 C ATOM 114 CG LYS A 9 5.386 -1.521 11.308 1.00 0.00 C ATOM 115 CD LYS A 9 4.408 -1.206 12.441 1.00 0.00 C ATOM 116 CE LYS A 9 3.181 -0.492 11.873 1.00 0.00 C ATOM 117 NZ LYS A 9 3.601 0.793 11.245 1.00 0.00 N ATOM 118 H LYS A 9 6.654 -4.803 10.917 1.00 0.00 H ATOM 119 HA LYS A 9 5.554 -3.450 8.695 1.00 0.00 H ATOM 120 HB2 LYS A 9 4.052 -2.816 10.232 1.00 0.00 H ATOM 121 HB3 LYS A 9 5.028 -3.630 11.455 1.00 0.00 H ATOM 122 HG2 LYS A 9 6.393 -1.558 11.700 1.00 0.00 H ATOM 123 HG3 LYS A 9 5.322 -0.750 10.555 1.00 0.00 H ATOM 124 HD2 LYS A 9 4.101 -2.127 12.918 1.00 0.00 H ATOM 125 HD3 LYS A 9 4.889 -0.569 13.166 1.00 0.00 H ATOM 126 HE2 LYS A 9 2.710 -1.119 11.130 1.00 0.00 H ATOM 127 HE3 LYS A 9 2.480 -0.291 12.670 1.00 0.00 H ATOM 128 HZ1 LYS A 9 2.760 1.369 11.038 1.00 0.00 H ATOM 129 HZ2 LYS A 9 4.112 0.595 10.361 1.00 0.00 H ATOM 130 HZ3 LYS A 9 4.222 1.312 11.897 1.00 0.00 H ATOM 131 N PRO A 10 6.604 -1.118 8.582 1.00 0.00 N ATOM 132 CA PRO A 10 7.418 0.087 8.267 1.00 0.00 C ATOM 133 C PRO A 10 8.034 0.704 9.521 1.00 0.00 C ATOM 134 O PRO A 10 7.521 0.512 10.624 1.00 0.00 O ATOM 135 CB PRO A 10 6.424 1.061 7.612 1.00 0.00 C ATOM 136 CG PRO A 10 5.091 0.373 7.584 1.00 0.00 C ATOM 137 CD PRO A 10 5.330 -1.108 7.866 1.00 0.00 C ATOM 138 HA PRO A 10 8.191 -0.164 7.560 1.00 0.00 H ATOM 139 HB2 PRO A 10 6.362 1.970 8.194 1.00 0.00 H ATOM 140 HB3 PRO A 10 6.741 1.287 6.605 1.00 0.00 H ATOM 141 HG2 PRO A 10 4.446 0.796 8.343 1.00 0.00 H ATOM 142 HG3 PRO A 10 4.640 0.488 6.610 1.00 0.00 H ATOM 143 HD2 PRO A 10 4.539 -1.508 8.486 1.00 0.00 H ATOM 144 HD3 PRO A 10 5.413 -1.663 6.946 1.00 0.00 H HETATM 145 N NH2 A 11 9.108 1.436 9.416 1.00 0.00 N HETATM 146 HN1 NH2 A 11 9.957 1.117 9.788 1.00 0.00 H HETATM 147 HN2 NH2 A 11 9.070 2.299 8.952 1.00 0.00 H TER 148 NH2 A 11 HETATM 149 O A2G A 101 0.739 -15.814 8.701 1.00 0.00 O HETATM 150 C1 A2G A 101 1.931 -16.482 9.073 1.00 0.00 C HETATM 151 C2 A2G A 101 1.922 -16.694 10.592 1.00 0.00 C HETATM 152 N2 A2G A 101 3.121 -17.414 11.006 1.00 0.00 N HETATM 153 C3 A2G A 101 0.674 -17.480 10.991 1.00 0.00 C HETATM 154 O3 A2G A 101 0.608 -17.584 12.406 1.00 0.00 O HETATM 155 C4 A2G A 101 -0.565 -16.752 10.477 1.00 0.00 C HETATM 156 O4 A2G A 101 -0.672 -15.488 11.115 1.00 0.00 O HETATM 157 C5 A2G A 101 -0.436 -16.554 8.968 1.00 0.00 C HETATM 158 C6 A2G A 101 -1.637 -15.763 8.447 1.00 0.00 C HETATM 159 O6 A2G A 101 -2.763 -16.009 9.277 1.00 0.00 O HETATM 160 C7 A2G A 101 3.990 -16.871 11.852 1.00 0.00 C HETATM 161 O7 A2G A 101 3.845 -15.747 12.333 1.00 0.00 O HETATM 162 C8 A2G A 101 5.210 -17.717 12.199 1.00 0.00 C HETATM 163 H1 A2G A 101 2.780 -15.869 8.813 1.00 0.00 H HETATM 164 H2 A2G A 101 1.903 -15.731 11.081 1.00 0.00 H HETATM 165 HN2 A2G A 101 3.287 -18.313 10.655 1.00 0.00 H HETATM 166 H3 A2G A 101 0.717 -18.469 10.558 1.00 0.00 H HETATM 167 HO3 A2G A 101 -0.108 -18.184 12.626 1.00 0.00 H HETATM 168 H4 A2G A 101 -1.445 -17.340 10.689 1.00 0.00 H HETATM 169 HO4 A2G A 101 0.122 -15.350 11.636 1.00 0.00 H HETATM 170 H5 A2G A 101 -0.394 -17.514 8.479 1.00 0.00 H HETATM 171 H6 A2G A 101 -1.406 -14.708 8.458 1.00 0.00 H HETATM 172 H8 A2G A 101 4.973 -18.366 13.030 1.00 0.00 H HETATM 173 H8A A2G A 101 6.031 -17.070 12.470 1.00 0.00 H HETATM 174 H8B A2G A 101 5.489 -18.314 11.343 1.00 0.00 H HETATM 175 H14 A2G A 101 -1.861 -16.072 7.437 1.00 0.00 H HETATM 176 H15 A2G A 101 -2.819 -15.298 9.919 1.00 0.00 H HETATM 177 O A2G A 102 8.358 -13.399 4.167 1.00 0.00 O HETATM 178 C1 A2G A 102 7.005 -13.517 4.545 1.00 0.00 C HETATM 179 C2 A2G A 102 6.142 -12.954 3.415 1.00 0.00 C HETATM 180 N2 A2G A 102 4.730 -13.043 3.769 1.00 0.00 N HETATM 181 C3 A2G A 102 6.415 -13.746 2.136 1.00 0.00 C HETATM 182 O3 A2G A 102 5.710 -13.158 1.054 1.00 0.00 O HETATM 183 C4 A2G A 102 7.916 -13.730 1.838 1.00 0.00 C HETATM 184 O4 A2G A 102 8.320 -12.406 1.522 1.00 0.00 O HETATM 185 C5 A2G A 102 8.687 -14.219 3.066 1.00 0.00 C HETATM 186 C6 A2G A 102 10.191 -14.110 2.806 1.00 0.00 C HETATM 187 O6 A2G A 102 10.431 -14.126 1.408 1.00 0.00 O HETATM 188 C7 A2G A 102 3.984 -11.951 3.899 1.00 0.00 C HETATM 189 O7 A2G A 102 4.426 -10.815 3.733 1.00 0.00 O HETATM 190 C8 A2G A 102 2.547 -12.170 4.361 1.00 0.00 C HETATM 191 H1 A2G A 102 6.828 -12.947 5.445 1.00 0.00 H HETATM 192 H2 A2G A 102 6.401 -11.918 3.253 1.00 0.00 H HETATM 193 HN2 A2G A 102 4.333 -13.922 3.943 1.00 0.00 H HETATM 194 H3 A2G A 102 6.086 -14.767 2.269 1.00 0.00 H HETATM 195 HO3 A2G A 102 5.537 -13.844 0.404 1.00 0.00 H HETATM 196 H4 A2G A 102 8.123 -14.379 1.001 1.00 0.00 H HETATM 197 HO4 A2G A 102 7.927 -12.168 0.679 1.00 0.00 H HETATM 198 H5 A2G A 102 8.427 -15.245 3.276 1.00 0.00 H HETATM 199 H6 A2G A 102 10.563 -13.187 3.225 1.00 0.00 H HETATM 200 H8 A2G A 102 1.907 -12.294 3.499 1.00 0.00 H HETATM 201 H8A A2G A 102 2.218 -11.316 4.933 1.00 0.00 H HETATM 202 H8B A2G A 102 2.498 -13.057 4.976 1.00 0.00 H HETATM 203 H14 A2G A 102 10.698 -14.944 3.268 1.00 0.00 H HETATM 204 H15 A2G A 102 10.699 -13.243 1.143 1.00 0.00 H HETATM 205 O A2G A 103 6.696 -11.263 12.948 1.00 0.00 O HETATM 206 C1 A2G A 103 7.455 -11.542 11.793 1.00 0.00 C HETATM 207 C2 A2G A 103 8.903 -11.792 12.221 1.00 0.00 C HETATM 208 N2 A2G A 103 9.727 -12.083 11.054 1.00 0.00 N HETATM 209 C3 A2G A 103 8.941 -12.969 13.198 1.00 0.00 C HETATM 210 O3 A2G A 103 10.261 -13.125 13.701 1.00 0.00 O HETATM 211 C4 A2G A 103 7.982 -12.700 14.359 1.00 0.00 C HETATM 212 O4 A2G A 103 8.458 -11.601 15.121 1.00 0.00 O HETATM 213 C5 A2G A 103 6.593 -12.375 13.808 1.00 0.00 C HETATM 214 C6 A2G A 103 5.650 -12.020 14.960 1.00 0.00 C HETATM 215 O6 A2G A 103 6.195 -12.498 16.182 1.00 0.00 O HETATM 216 C7 A2G A 103 10.742 -11.295 10.716 1.00 0.00 C HETATM 217 O7 A2G A 103 11.048 -10.286 11.352 1.00 0.00 O HETATM 218 C8 A2G A 103 11.572 -11.742 9.517 1.00 0.00 C HETATM 219 H1 A2G A 103 7.424 -10.696 11.123 1.00 0.00 H HETATM 220 H2 A2G A 103 9.284 -10.910 12.714 1.00 0.00 H HETATM 221 HN2 A2G A 103 9.518 -12.862 10.498 1.00 0.00 H HETATM 222 H3 A2G A 103 8.642 -13.871 12.686 1.00 0.00 H HETATM 223 HO3 A2G A 103 10.216 -13.109 14.660 1.00 0.00 H HETATM 224 H4 A2G A 103 7.924 -13.576 14.989 1.00 0.00 H HETATM 225 HO4 A2G A 103 9.018 -11.066 14.554 1.00 0.00 H HETATM 226 H5 A2G A 103 6.205 -13.228 13.270 1.00 0.00 H HETATM 227 H6 A2G A 103 5.534 -10.948 15.013 1.00 0.00 H HETATM 228 H8 A2G A 103 12.435 -12.292 9.862 1.00 0.00 H HETATM 229 H8A A2G A 103 11.895 -10.875 8.960 1.00 0.00 H HETATM 230 H8B A2G A 103 10.972 -12.375 8.881 1.00 0.00 H HETATM 231 H14 A2G A 103 4.687 -12.478 14.792 1.00 0.00 H HETATM 232 H15 A2G A 103 6.275 -13.453 16.117 1.00 0.00 H HETATM 233 O A2G A 104 5.805 -6.237 5.131 1.00 0.00 O HETATM 234 C1 A2G A 104 5.459 -6.768 6.392 1.00 0.00 C HETATM 235 C2 A2G A 104 4.006 -6.383 6.696 1.00 0.00 C HETATM 236 N2 A2G A 104 3.604 -6.927 7.990 1.00 0.00 N HETATM 237 C3 A2G A 104 3.098 -6.929 5.592 1.00 0.00 C HETATM 238 O3 A2G A 104 1.773 -6.459 5.795 1.00 0.00 O HETATM 239 C4 A2G A 104 3.604 -6.453 4.230 1.00 0.00 C HETATM 240 O4 A2G A 104 3.459 -5.044 4.137 1.00 0.00 O HETATM 241 C5 A2G A 104 5.079 -6.826 4.077 1.00 0.00 C HETATM 242 C6 A2G A 104 5.612 -6.284 2.750 1.00 0.00 C HETATM 243 O6 A2G A 104 4.571 -6.287 1.784 1.00 0.00 O HETATM 244 C7 A2G A 104 3.463 -6.136 9.050 1.00 0.00 C HETATM 245 O7 A2G A 104 3.670 -4.920 9.009 1.00 0.00 O HETATM 246 C8 A2G A 104 2.873 -6.787 10.303 1.00 0.00 C HETATM 247 H1 A2G A 104 6.103 -6.349 7.151 1.00 0.00 H HETATM 248 H2 A2G A 104 3.925 -5.305 6.723 1.00 0.00 H HETATM 249 HN2 A2G A 104 3.612 -7.898 8.120 1.00 0.00 H HETATM 250 H3 A2G A 104 3.105 -8.008 5.622 1.00 0.00 H HETATM 251 HO3 A2G A 104 1.507 -6.694 6.687 1.00 0.00 H HETATM 252 H4 A2G A 104 3.029 -6.927 3.447 1.00 0.00 H HETATM 253 HO4 A2G A 104 2.544 -4.826 4.326 1.00 0.00 H HETATM 254 H5 A2G A 104 5.188 -7.901 4.102 1.00 0.00 H HETATM 255 H6 A2G A 104 5.969 -5.275 2.891 1.00 0.00 H HETATM 256 H8 A2G A 104 1.813 -6.942 10.164 1.00 0.00 H HETATM 257 H8A A2G A 104 3.032 -6.140 11.153 1.00 0.00 H HETATM 258 H8B A2G A 104 3.357 -7.737 10.477 1.00 0.00 H HETATM 259 H14 A2G A 104 6.424 -6.908 2.405 1.00 0.00 H HETATM 260 H15 A2G A 104 4.682 -7.063 1.230 1.00 0.00 H