HETATM 1 C ACE A 1 3.069 15.048 -8.255 1.00 0.00 C HETATM 2 O ACE A 1 3.971 14.258 -8.529 1.00 0.00 O HETATM 3 CH3 ACE A 1 3.264 16.544 -8.471 1.00 0.00 C HETATM 4 H1 ACE A 1 4.260 16.735 -8.872 1.00 0.00 H HETATM 5 H2 ACE A 1 2.518 16.913 -9.176 1.00 0.00 H HETATM 6 H3 ACE A 1 3.155 17.069 -7.521 1.00 0.00 H ATOM 7 N ARG A 2 1.884 14.665 -7.764 1.00 0.00 N ATOM 8 CA ARG A 2 1.531 13.276 -7.511 1.00 0.00 C ATOM 9 C ARG A 2 1.221 12.579 -8.839 1.00 0.00 C ATOM 10 O ARG A 2 0.067 12.529 -9.265 1.00 0.00 O ATOM 11 CB ARG A 2 0.353 13.215 -6.524 1.00 0.00 C ATOM 12 CG ARG A 2 0.040 11.763 -6.147 1.00 0.00 C ATOM 13 CD ARG A 2 -1.109 11.667 -5.141 1.00 0.00 C ATOM 14 NE ARG A 2 -1.380 10.266 -4.784 1.00 0.00 N ATOM 15 CZ ARG A 2 -2.054 9.383 -5.542 1.00 0.00 C ATOM 16 NH1 ARG A 2 -2.574 9.740 -6.725 1.00 0.00 N ATOM 17 NH2 ARG A 2 -2.202 8.124 -5.111 1.00 0.00 N ATOM 18 H ARG A 2 1.187 15.369 -7.569 1.00 0.00 H ATOM 19 HA ARG A 2 2.379 12.778 -7.037 1.00 0.00 H ATOM 20 HB2 ARG A 2 0.621 13.761 -5.619 1.00 0.00 H ATOM 21 HB3 ARG A 2 -0.530 13.680 -6.965 1.00 0.00 H ATOM 22 HG2 ARG A 2 -0.239 11.210 -7.042 1.00 0.00 H ATOM 23 HG3 ARG A 2 0.930 11.310 -5.708 1.00 0.00 H ATOM 24 HD2 ARG A 2 -0.830 12.203 -4.233 1.00 0.00 H ATOM 25 HD3 ARG A 2 -2.006 12.133 -5.550 1.00 0.00 H ATOM 26 HE ARG A 2 -1.013 9.951 -3.898 1.00 0.00 H ATOM 27 HH11 ARG A 2 -2.462 10.685 -7.063 1.00 0.00 H ATOM 28 HH12 ARG A 2 -3.081 9.066 -7.281 1.00 0.00 H ATOM 29 HH21 ARG A 2 -1.811 7.842 -4.223 1.00 0.00 H ATOM 30 HH22 ARG A 2 -2.706 7.451 -5.670 1.00 0.00 H ATOM 31 N ALA A 3 2.254 12.023 -9.483 1.00 0.00 N ATOM 32 CA ALA A 3 2.139 11.313 -10.751 1.00 0.00 C ATOM 33 C ALA A 3 1.693 9.863 -10.526 1.00 0.00 C ATOM 34 O ALA A 3 2.369 8.928 -10.953 1.00 0.00 O ATOM 35 CB ALA A 3 3.479 11.397 -11.490 1.00 0.00 C ATOM 36 H ALA A 3 3.178 12.132 -9.088 1.00 0.00 H ATOM 37 HA ALA A 3 1.393 11.806 -11.376 1.00 0.00 H ATOM 38 HB1 ALA A 3 3.748 12.443 -11.642 1.00 0.00 H ATOM 39 HB2 ALA A 3 4.262 10.910 -10.907 1.00 0.00 H ATOM 40 HB3 ALA A 3 3.398 10.911 -12.463 1.00 0.00 H ATOM 41 N GLY A 4 0.546 9.689 -9.855 1.00 0.00 N ATOM 42 CA GLY A 4 -0.077 8.407 -9.555 1.00 0.00 C ATOM 43 C GLY A 4 0.894 7.344 -9.025 1.00 0.00 C ATOM 44 O GLY A 4 1.029 6.297 -9.659 1.00 0.00 O ATOM 45 H GLY A 4 0.053 10.519 -9.553 1.00 0.00 H ATOM 46 HA2 GLY A 4 -0.863 8.564 -8.817 1.00 0.00 H ATOM 47 HA3 GLY A 4 -0.544 8.035 -10.467 1.00 0.00 H ATOM 48 N PRO A 5 1.541 7.565 -7.866 1.00 0.00 N ATOM 49 CA PRO A 5 2.428 6.601 -7.228 1.00 0.00 C ATOM 50 C PRO A 5 1.592 5.547 -6.487 1.00 0.00 C ATOM 51 O PRO A 5 1.691 5.394 -5.271 1.00 0.00 O ATOM 52 CB PRO A 5 3.285 7.445 -6.279 1.00 0.00 C ATOM 53 CG PRO A 5 2.296 8.513 -5.812 1.00 0.00 C ATOM 54 CD PRO A 5 1.472 8.780 -7.072 1.00 0.00 C ATOM 55 HA PRO A 5 3.071 6.117 -7.964 1.00 0.00 H ATOM 56 HB2 PRO A 5 3.720 6.879 -5.455 1.00 0.00 H ATOM 57 HB3 PRO A 5 4.080 7.926 -6.851 1.00 0.00 H ATOM 58 HG2 PRO A 5 1.652 8.105 -5.032 1.00 0.00 H ATOM 59 HG3 PRO A 5 2.800 9.410 -5.450 1.00 0.00 H ATOM 60 HD2 PRO A 5 0.443 9.013 -6.806 1.00 0.00 H ATOM 61 HD3 PRO A 5 1.926 9.607 -7.617 1.00 0.00 H ATOM 62 N LEU A 6 0.744 4.840 -7.238 1.00 0.00 N ATOM 63 CA LEU A 6 -0.268 3.929 -6.725 1.00 0.00 C ATOM 64 C LEU A 6 -0.694 2.961 -7.827 1.00 0.00 C ATOM 65 O LEU A 6 -0.905 1.782 -7.558 1.00 0.00 O ATOM 66 CB LEU A 6 -1.468 4.736 -6.204 1.00 0.00 C ATOM 67 CG LEU A 6 -2.629 3.864 -5.695 1.00 0.00 C ATOM 68 CD1 LEU A 6 -2.219 3.010 -4.489 1.00 0.00 C ATOM 69 CD2 LEU A 6 -3.806 4.763 -5.304 1.00 0.00 C ATOM 70 H LEU A 6 0.757 5.010 -8.234 1.00 0.00 H ATOM 71 HA LEU A 6 0.167 3.354 -5.909 1.00 0.00 H ATOM 72 HB2 LEU A 6 -1.134 5.384 -5.392 1.00 0.00 H ATOM 73 HB3 LEU A 6 -1.837 5.367 -7.014 1.00 0.00 H ATOM 74 HG LEU A 6 -2.978 3.204 -6.491 1.00 0.00 H ATOM 75 HD11 LEU A 6 -1.811 3.644 -3.702 1.00 0.00 H ATOM 76 HD12 LEU A 6 -3.091 2.480 -4.102 1.00 0.00 H ATOM 77 HD13 LEU A 6 -1.474 2.270 -4.779 1.00 0.00 H ATOM 78 HD21 LEU A 6 -4.120 5.353 -6.165 1.00 0.00 H ATOM 79 HD22 LEU A 6 -4.645 4.147 -4.978 1.00 0.00 H ATOM 80 HD23 LEU A 6 -3.514 5.431 -4.494 1.00 0.00 H ATOM 81 N GLN A 7 -0.827 3.455 -9.066 1.00 0.00 N ATOM 82 CA GLN A 7 -1.207 2.643 -10.212 1.00 0.00 C ATOM 83 C GLN A 7 -0.255 1.454 -10.371 1.00 0.00 C ATOM 84 O GLN A 7 -0.704 0.329 -10.579 1.00 0.00 O ATOM 85 CB GLN A 7 -1.239 3.526 -11.469 1.00 0.00 C ATOM 86 CG GLN A 7 -1.698 2.781 -12.731 1.00 0.00 C ATOM 87 CD GLN A 7 -3.124 2.247 -12.607 1.00 0.00 C ATOM 88 OE1 GLN A 7 -4.071 2.930 -12.991 1.00 0.00 O ATOM 89 NE2 GLN A 7 -3.262 1.029 -12.068 1.00 0.00 N ATOM 90 H GLN A 7 -0.659 4.438 -9.226 1.00 0.00 H ATOM 91 HA GLN A 7 -2.211 2.269 -10.011 1.00 0.00 H ATOM 92 HB2 GLN A 7 -1.919 4.361 -11.296 1.00 0.00 H ATOM 93 HB3 GLN A 7 -0.241 3.928 -11.649 1.00 0.00 H ATOM 94 HG2 GLN A 7 -1.666 3.480 -13.568 1.00 0.00 H ATOM 95 HG3 GLN A 7 -1.015 1.963 -12.955 1.00 0.00 H ATOM 96 HE21 GLN A 7 -2.427 0.548 -11.762 1.00 0.00 H ATOM 97 N TRP A 8 1.054 1.705 -10.242 1.00 0.00 N ATOM 98 CA TRP A 8 2.083 0.679 -10.313 1.00 0.00 C ATOM 99 C TRP A 8 1.919 -0.368 -9.205 1.00 0.00 C ATOM 100 O TRP A 8 2.074 -1.558 -9.469 1.00 0.00 O ATOM 101 CB TRP A 8 3.471 1.328 -10.291 1.00 0.00 C ATOM 102 CG TRP A 8 3.881 1.993 -9.011 1.00 0.00 C ATOM 103 CD1 TRP A 8 3.574 3.257 -8.645 1.00 0.00 C ATOM 104 CD2 TRP A 8 4.688 1.450 -7.924 1.00 0.00 C ATOM 105 NE1 TRP A 8 4.138 3.541 -7.418 1.00 0.00 N ATOM 106 CE2 TRP A 8 4.847 2.462 -6.933 1.00 0.00 C ATOM 107 CE3 TRP A 8 5.299 0.202 -7.671 1.00 0.00 C ATOM 108 CZ2 TRP A 8 5.584 2.252 -5.757 1.00 0.00 C ATOM 109 CZ3 TRP A 8 6.041 -0.019 -6.496 1.00 0.00 C ATOM 110 CH2 TRP A 8 6.188 1.004 -5.542 1.00 0.00 C ATOM 111 H TRP A 8 1.350 2.654 -10.073 1.00 0.00 H ATOM 112 HA TRP A 8 1.982 0.172 -11.274 1.00 0.00 H ATOM 113 HB2 TRP A 8 4.206 0.554 -10.512 1.00 0.00 H ATOM 114 HB3 TRP A 8 3.521 2.067 -11.092 1.00 0.00 H ATOM 115 HD1 TRP A 8 2.987 3.948 -9.232 1.00 0.00 H ATOM 116 HE1 TRP A 8 4.062 4.417 -6.922 1.00 0.00 H ATOM 117 HE3 TRP A 8 5.195 -0.597 -8.391 1.00 0.00 H ATOM 118 HZ2 TRP A 8 5.681 3.040 -5.025 1.00 0.00 H ATOM 119 HZ3 TRP A 8 6.499 -0.982 -6.324 1.00 0.00 H ATOM 120 HH2 TRP A 8 6.759 0.826 -4.642 1.00 0.00 H ATOM 121 N LEU A 9 1.584 0.059 -7.979 1.00 0.00 N ATOM 122 CA LEU A 9 1.307 -0.852 -6.875 1.00 0.00 C ATOM 123 C LEU A 9 0.076 -1.707 -7.173 1.00 0.00 C ATOM 124 O LEU A 9 0.103 -2.908 -6.931 1.00 0.00 O ATOM 125 CB LEU A 9 1.115 -0.086 -5.557 1.00 0.00 C ATOM 126 CG LEU A 9 2.426 0.420 -4.941 1.00 0.00 C ATOM 127 CD1 LEU A 9 2.109 1.390 -3.798 1.00 0.00 C ATOM 128 CD2 LEU A 9 3.283 -0.732 -4.396 1.00 0.00 C ATOM 129 H LEU A 9 1.455 1.048 -7.821 1.00 0.00 H ATOM 130 HA LEU A 9 2.150 -1.530 -6.771 1.00 0.00 H ATOM 131 HB2 LEU A 9 0.449 0.757 -5.728 1.00 0.00 H ATOM 132 HB3 LEU A 9 0.635 -0.743 -4.834 1.00 0.00 H ATOM 133 HG LEU A 9 2.985 0.962 -5.700 1.00 0.00 H ATOM 134 HD11 LEU A 9 1.532 2.234 -4.175 1.00 0.00 H ATOM 135 HD12 LEU A 9 1.534 0.880 -3.025 1.00 0.00 H ATOM 136 HD13 LEU A 9 3.036 1.767 -3.366 1.00 0.00 H ATOM 137 HD21 LEU A 9 2.698 -1.345 -3.711 1.00 0.00 H ATOM 138 HD22 LEU A 9 3.653 -1.360 -5.204 1.00 0.00 H ATOM 139 HD23 LEU A 9 4.142 -0.328 -3.860 1.00 0.00 H ATOM 140 N ALA A 10 -0.996 -1.105 -7.696 1.00 0.00 N ATOM 141 CA ALA A 10 -2.222 -1.813 -8.034 1.00 0.00 C ATOM 142 C ALA A 10 -1.965 -2.900 -9.085 1.00 0.00 C ATOM 143 O ALA A 10 -2.425 -4.031 -8.926 1.00 0.00 O ATOM 144 CB ALA A 10 -3.278 -0.805 -8.488 1.00 0.00 C ATOM 145 H ALA A 10 -0.961 -0.109 -7.870 1.00 0.00 H ATOM 146 HA ALA A 10 -2.600 -2.295 -7.131 1.00 0.00 H ATOM 147 HB1 ALA A 10 -3.456 -0.080 -7.692 1.00 0.00 H ATOM 148 HB2 ALA A 10 -2.933 -0.278 -9.375 1.00 0.00 H ATOM 149 HB3 ALA A 10 -4.211 -1.322 -8.711 1.00 0.00 H ATOM 150 N GLU A 11 -1.199 -2.571 -10.133 1.00 0.00 N ATOM 151 CA GLU A 11 -0.749 -3.533 -11.134 1.00 0.00 C ATOM 152 C GLU A 11 0.072 -4.650 -10.484 1.00 0.00 C ATOM 153 O GLU A 11 -0.176 -5.824 -10.743 1.00 0.00 O ATOM 154 CB GLU A 11 0.083 -2.826 -12.212 1.00 0.00 C ATOM 155 CG GLU A 11 -0.775 -1.910 -13.091 1.00 0.00 C ATOM 156 CD GLU A 11 0.093 -1.123 -14.066 1.00 0.00 C ATOM 157 OE1 GLU A 11 0.614 -0.069 -13.641 1.00 0.00 O ATOM 158 OE2 GLU A 11 0.225 -1.590 -15.218 1.00 0.00 O ATOM 159 H GLU A 11 -0.862 -1.619 -10.210 1.00 0.00 H ATOM 160 HA GLU A 11 -1.623 -3.981 -11.610 1.00 0.00 H ATOM 161 HB2 GLU A 11 0.873 -2.243 -11.739 1.00 0.00 H ATOM 162 HB3 GLU A 11 0.544 -3.577 -12.855 1.00 0.00 H ATOM 163 HG2 GLU A 11 -1.495 -2.512 -13.647 1.00 0.00 H ATOM 164 HG3 GLU A 11 -1.322 -1.203 -12.473 1.00 0.00 H ATOM 165 N LYS A 12 1.048 -4.280 -9.645 1.00 0.00 N ATOM 166 CA LYS A 12 1.935 -5.210 -8.957 1.00 0.00 C ATOM 167 C LYS A 12 1.144 -6.209 -8.106 1.00 0.00 C ATOM 168 O LYS A 12 1.428 -7.405 -8.146 1.00 0.00 O ATOM 169 CB LYS A 12 2.946 -4.412 -8.121 1.00 0.00 C ATOM 170 CG LYS A 12 3.960 -5.306 -7.400 1.00 0.00 C ATOM 171 CD LYS A 12 4.979 -4.432 -6.658 1.00 0.00 C ATOM 172 CE LYS A 12 5.999 -5.273 -5.884 1.00 0.00 C ATOM 173 NZ LYS A 12 5.373 -6.009 -4.772 1.00 0.00 N ATOM 174 H LYS A 12 1.199 -3.292 -9.485 1.00 0.00 H ATOM 175 HA LYS A 12 2.491 -5.766 -9.714 1.00 0.00 H ATOM 176 HB2 LYS A 12 3.487 -3.734 -8.782 1.00 0.00 H ATOM 177 HB3 LYS A 12 2.419 -3.824 -7.373 1.00 0.00 H ATOM 178 HG2 LYS A 12 3.438 -5.944 -6.688 1.00 0.00 H ATOM 179 HG3 LYS A 12 4.478 -5.932 -8.129 1.00 0.00 H ATOM 180 HD2 LYS A 12 5.515 -3.820 -7.385 1.00 0.00 H ATOM 181 HD3 LYS A 12 4.459 -3.771 -5.963 1.00 0.00 H ATOM 182 HE2 LYS A 12 6.482 -5.981 -6.559 1.00 0.00 H ATOM 183 HE3 LYS A 12 6.760 -4.610 -5.470 1.00 0.00 H ATOM 184 HZ1 LYS A 12 4.924 -5.357 -4.146 1.00 0.00 H ATOM 185 HZ2 LYS A 12 4.687 -6.655 -5.135 1.00 0.00 H ATOM 186 HZ3 LYS A 12 6.082 -6.523 -4.268 1.00 0.00 H ATOM 187 N TYR A 13 0.153 -5.723 -7.349 1.00 0.00 N ATOM 188 CA TYR A 13 -0.718 -6.551 -6.525 1.00 0.00 C ATOM 189 C TYR A 13 -1.475 -7.546 -7.404 1.00 0.00 C ATOM 190 O TYR A 13 -1.475 -8.742 -7.117 1.00 0.00 O ATOM 191 CB TYR A 13 -1.700 -5.680 -5.728 1.00 0.00 C ATOM 192 CG TYR A 13 -1.118 -4.615 -4.810 1.00 0.00 C ATOM 193 CD1 TYR A 13 0.190 -4.710 -4.290 1.00 0.00 C ATOM 194 CD2 TYR A 13 -1.924 -3.517 -4.453 1.00 0.00 C ATOM 195 CE1 TYR A 13 0.675 -3.727 -3.411 1.00 0.00 C ATOM 196 CE2 TYR A 13 -1.434 -2.528 -3.584 1.00 0.00 C ATOM 197 CZ TYR A 13 -0.141 -2.641 -3.048 1.00 0.00 C ATOM 198 OH TYR A 13 0.321 -1.694 -2.182 1.00 0.00 O ATOM 199 H TYR A 13 -0.024 -4.728 -7.362 1.00 0.00 H ATOM 200 HA TYR A 13 -0.107 -7.124 -5.826 1.00 0.00 H ATOM 201 HB2 TYR A 13 -2.362 -5.182 -6.438 1.00 0.00 H ATOM 202 HB3 TYR A 13 -2.312 -6.341 -5.113 1.00 0.00 H ATOM 203 HD1 TYR A 13 0.844 -5.526 -4.555 1.00 0.00 H ATOM 204 HD2 TYR A 13 -2.927 -3.431 -4.843 1.00 0.00 H ATOM 205 HE1 TYR A 13 1.676 -3.811 -3.014 1.00 0.00 H ATOM 206 HE2 TYR A 13 -2.057 -1.684 -3.325 1.00 0.00 H ATOM 207 HH TYR A 13 1.213 -1.865 -1.873 1.00 0.00 H ATOM 208 N GLN A 14 -2.084 -7.060 -8.494 1.00 0.00 N ATOM 209 CA GLN A 14 -2.737 -7.902 -9.488 1.00 0.00 C ATOM 210 C GLN A 14 -1.692 -8.475 -10.454 1.00 0.00 C ATOM 211 O GLN A 14 -1.788 -8.283 -11.667 1.00 0.00 O ATOM 212 CB GLN A 14 -3.804 -7.089 -10.232 1.00 0.00 C ATOM 213 CG GLN A 14 -4.908 -6.574 -9.300 1.00 0.00 C ATOM 214 CD GLN A 14 -6.031 -5.936 -10.113 1.00 0.00 C ATOM 215 OE1 GLN A 14 -7.152 -6.440 -10.131 1.00 0.00 O ATOM 216 NE2 GLN A 14 -5.709 -4.844 -10.815 1.00 0.00 N ATOM 217 H GLN A 14 -2.041 -6.065 -8.678 1.00 0.00 H ATOM 218 HA GLN A 14 -3.237 -8.737 -8.995 1.00 0.00 H ATOM 219 HB2 GLN A 14 -3.327 -6.245 -10.736 1.00 0.00 H ATOM 220 HB3 GLN A 14 -4.267 -7.730 -10.984 1.00 0.00 H ATOM 221 HG2 GLN A 14 -5.316 -7.410 -8.730 1.00 0.00 H ATOM 222 HG3 GLN A 14 -4.506 -5.837 -8.604 1.00 0.00 H ATOM 223 HE21 GLN A 14 -4.771 -4.477 -10.733 1.00 0.00 H ATOM 224 N GLY A 15 -0.691 -9.183 -9.915 1.00 0.00 N ATOM 225 CA GLY A 15 0.418 -9.736 -10.676 1.00 0.00 C ATOM 226 C GLY A 15 0.016 -11.042 -11.358 1.00 0.00 C ATOM 227 O GLY A 15 0.529 -12.106 -11.020 1.00 0.00 O ATOM 228 H GLY A 15 -0.679 -9.312 -8.912 1.00 0.00 H ATOM 229 HA2 GLY A 15 0.756 -9.018 -11.425 1.00 0.00 H ATOM 230 HA3 GLY A 15 1.243 -9.928 -9.990 1.00 0.00 H HETATM 231 N NH2 A 16 -0.900 -10.965 -12.325 1.00 0.00 N HETATM 232 HN1 NH2 A 16 -1.196 -11.800 -12.809 1.00 0.00 H HETATM 233 HN2 NH2 A 16 -1.305 -10.066 -12.553 1.00 0.00 H TER 234 NH2 A 16 HETATM 235 C1 LNK A 17 -4.538 0.375 -11.815 1.00 0.00 C HETATM 236 C2 LNK A 17 -4.493 -1.061 -12.342 1.00 0.00 C HETATM 237 C3 LNK A 17 -5.662 -1.883 -11.795 1.00 0.00 C HETATM 238 C4 LNK A 17 -5.815 -3.181 -12.595 1.00 0.00 C HETATM 239 C5 LNK A 17 -6.590 -4.234 -11.797 1.00 0.00 C HETATM 240 H11 LNK A 17 -4.716 0.366 -10.740 1.00 0.00 H HETATM 241 H12 LNK A 17 -5.362 0.902 -12.297 1.00 0.00 H HETATM 242 H21 LNK A 17 -4.528 -1.036 -13.433 1.00 0.00 H HETATM 243 H22 LNK A 17 -3.569 -1.544 -12.024 1.00 0.00 H HETATM 244 H31 LNK A 17 -5.466 -2.106 -10.746 1.00 0.00 H HETATM 245 H32 LNK A 17 -6.590 -1.313 -11.867 1.00 0.00 H HETATM 246 H41 LNK A 17 -6.353 -2.958 -13.517 1.00 0.00 H HETATM 247 H42 LNK A 17 -4.835 -3.583 -12.855 1.00 0.00 H HETATM 248 H51 LNK A 17 -7.453 -3.781 -11.308 1.00 0.00 H HETATM 249 H52 LNK A 17 -6.935 -5.006 -12.486 1.00 0.00 H