HETATM 1 C ACE A 3 0.528 7.880 -4.574 1.00 0.00 C HETATM 2 O ACE A 3 -0.258 7.130 -5.149 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.885 7.644 -3.112 1.00 0.00 C HETATM 4 H1 ACE A 3 0.273 6.839 -2.703 1.00 0.00 H HETATM 5 H2 ACE A 3 1.937 7.369 -3.034 1.00 0.00 H HETATM 6 H3 ACE A 3 0.705 8.555 -2.539 1.00 0.00 H ATOM 7 N ARG A 4 1.111 8.928 -5.166 1.00 0.00 N ATOM 8 CA ARG A 4 0.880 9.315 -6.552 1.00 0.00 C ATOM 9 C ARG A 4 1.319 8.217 -7.535 1.00 0.00 C ATOM 10 O ARG A 4 0.471 7.747 -8.292 1.00 0.00 O ATOM 11 CB ARG A 4 1.493 10.700 -6.823 1.00 0.00 C ATOM 12 CG ARG A 4 1.484 11.114 -8.302 1.00 0.00 C ATOM 13 CD ARG A 4 0.067 11.214 -8.881 1.00 0.00 C ATOM 14 NE ARG A 4 0.092 11.643 -10.285 1.00 0.00 N ATOM 15 CZ ARG A 4 0.267 12.905 -10.713 1.00 0.00 C ATOM 16 NH1 ARG A 4 0.463 13.910 -9.847 1.00 0.00 N ATOM 17 NH2 ARG A 4 0.245 13.164 -12.027 1.00 0.00 N ATOM 18 H ARG A 4 1.745 9.495 -4.622 1.00 0.00 H ATOM 19 HA ARG A 4 -0.199 9.430 -6.664 1.00 0.00 H ATOM 20 HB2 ARG A 4 0.929 11.441 -6.252 1.00 0.00 H ATOM 21 HB3 ARG A 4 2.520 10.732 -6.463 1.00 0.00 H ATOM 22 HG2 ARG A 4 1.965 12.090 -8.376 1.00 0.00 H ATOM 23 HG3 ARG A 4 2.069 10.409 -8.893 1.00 0.00 H ATOM 24 HD2 ARG A 4 -0.415 10.237 -8.850 1.00 0.00 H ATOM 25 HD3 ARG A 4 -0.533 11.907 -8.289 1.00 0.00 H ATOM 26 HE ARG A 4 -0.044 10.918 -10.977 1.00 0.00 H ATOM 27 HH11 ARG A 4 0.487 13.726 -8.855 1.00 0.00 H ATOM 28 HH12 ARG A 4 0.589 14.853 -10.185 1.00 0.00 H ATOM 29 HH21 ARG A 4 0.081 12.419 -12.688 1.00 0.00 H ATOM 30 HH22 ARG A 4 0.386 14.107 -12.361 1.00 0.00 H ATOM 31 N PRO A 5 2.595 7.780 -7.558 1.00 0.00 N ATOM 32 CA PRO A 5 3.039 6.699 -8.429 1.00 0.00 C ATOM 33 C PRO A 5 2.552 5.351 -7.884 1.00 0.00 C ATOM 34 O PRO A 5 3.306 4.615 -7.253 1.00 0.00 O ATOM 35 CB PRO A 5 4.566 6.812 -8.461 1.00 0.00 C ATOM 36 CG PRO A 5 4.892 7.363 -7.075 1.00 0.00 C ATOM 37 CD PRO A 5 3.731 8.326 -6.827 1.00 0.00 C ATOM 38 HA PRO A 5 2.659 6.834 -9.443 1.00 0.00 H ATOM 39 HB2 PRO A 5 5.070 5.869 -8.672 1.00 0.00 H ATOM 40 HB3 PRO A 5 4.852 7.553 -9.209 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.866 6.559 -6.338 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.860 7.865 -7.047 1.00 0.00 H ATOM 43 HD2 PRO A 5 3.553 8.419 -5.757 1.00 0.00 H ATOM 44 HD3 PRO A 5 4.001 9.292 -7.256 1.00 0.00 H ATOM 45 N LEU A 6 1.273 5.046 -8.123 1.00 0.00 N ATOM 46 CA LEU A 6 0.600 3.832 -7.679 1.00 0.00 C ATOM 47 C LEU A 6 0.723 2.728 -8.739 1.00 0.00 C ATOM 48 O LEU A 6 0.877 1.560 -8.396 1.00 0.00 O ATOM 49 CB LEU A 6 -0.866 4.193 -7.374 1.00 0.00 C ATOM 50 CG LEU A 6 -1.627 3.298 -6.377 1.00 0.00 C ATOM 51 CD1 LEU A 6 -1.857 1.870 -6.876 1.00 0.00 C ATOM 52 CD2 LEU A 6 -0.974 3.268 -4.989 1.00 0.00 C ATOM 53 H LEU A 6 0.710 5.739 -8.599 1.00 0.00 H ATOM 54 HA LEU A 6 1.077 3.490 -6.762 1.00 0.00 H ATOM 55 HB2 LEU A 6 -0.878 5.194 -6.943 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.425 4.239 -8.311 1.00 0.00 H ATOM 57 HG LEU A 6 -2.611 3.754 -6.259 1.00 0.00 H ATOM 58 HD11 LEU A 6 -2.181 1.884 -7.917 1.00 0.00 H ATOM 59 HD12 LEU A 6 -0.948 1.280 -6.778 1.00 0.00 H ATOM 60 HD13 LEU A 6 -2.634 1.401 -6.271 1.00 0.00 H ATOM 61 HD21 LEU A 6 -0.772 4.284 -4.650 1.00 0.00 H ATOM 62 HD22 LEU A 6 -1.653 2.789 -4.283 1.00 0.00 H ATOM 63 HD23 LEU A 6 -0.043 2.702 -5.008 1.00 0.00 H ATOM 64 N GLN A 7 0.645 3.105 -10.024 1.00 0.00 N ATOM 65 CA GLN A 7 0.524 2.210 -11.171 1.00 0.00 C ATOM 66 C GLN A 7 1.450 0.988 -11.112 1.00 0.00 C ATOM 67 O GLN A 7 0.966 -0.143 -11.114 1.00 0.00 O ATOM 68 CB GLN A 7 0.739 3.014 -12.463 1.00 0.00 C ATOM 69 CG GLN A 7 0.338 2.243 -13.729 1.00 0.00 C ATOM 70 CD GLN A 7 -1.180 2.185 -13.894 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.755 3.022 -14.587 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.827 1.211 -13.245 1.00 0.00 N ATOM 73 H GLN A 7 0.542 4.091 -10.214 1.00 0.00 H ATOM 74 HA GLN A 7 -0.504 1.851 -11.147 1.00 0.00 H ATOM 75 HB2 GLN A 7 0.149 3.932 -12.423 1.00 0.00 H ATOM 76 HB3 GLN A 7 1.790 3.295 -12.538 1.00 0.00 H ATOM 77 HG2 GLN A 7 0.749 2.774 -14.588 1.00 0.00 H ATOM 78 HG3 GLN A 7 0.758 1.237 -13.724 1.00 0.00 H ATOM 79 HE21 GLN A 7 -1.294 0.546 -12.702 1.00 0.00 H ATOM 80 N TRP A 8 2.769 1.216 -11.071 1.00 0.00 N ATOM 81 CA TRP A 8 3.783 0.165 -11.022 1.00 0.00 C ATOM 82 C TRP A 8 3.574 -0.761 -9.818 1.00 0.00 C ATOM 83 O TRP A 8 3.759 -1.972 -9.921 1.00 0.00 O ATOM 84 CB TRP A 8 5.181 0.799 -10.965 1.00 0.00 C ATOM 85 CG TRP A 8 5.499 1.509 -9.682 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.124 2.770 -9.377 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.107 0.974 -8.465 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.440 3.050 -8.066 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.030 1.969 -7.448 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.665 -0.271 -8.098 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.470 1.741 -6.135 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.136 -0.499 -6.790 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.032 0.499 -5.808 1.00 0.00 C ATOM 94 H TRP A 8 3.090 2.172 -11.077 1.00 0.00 H ATOM 95 HA TRP A 8 3.711 -0.422 -11.939 1.00 0.00 H ATOM 96 HB2 TRP A 8 5.918 0.007 -11.103 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.288 1.499 -11.795 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.592 3.439 -10.038 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.204 3.906 -7.581 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.727 -1.060 -8.831 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.353 2.502 -5.377 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.578 -1.448 -6.533 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.377 0.307 -4.802 1.00 0.00 H ATOM 104 N LEU A 9 3.205 -0.170 -8.675 1.00 0.00 N ATOM 105 CA LEU A 9 3.038 -0.851 -7.404 1.00 0.00 C ATOM 106 C LEU A 9 1.888 -1.848 -7.542 1.00 0.00 C ATOM 107 O LEU A 9 2.079 -3.041 -7.321 1.00 0.00 O ATOM 108 CB LEU A 9 2.824 0.206 -6.303 1.00 0.00 C ATOM 109 CG LEU A 9 3.385 -0.189 -4.929 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.437 1.047 -4.022 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.526 -1.253 -4.246 1.00 0.00 C ATOM 112 H LEU A 9 3.032 0.826 -8.686 1.00 0.00 H ATOM 113 HA LEU A 9 3.962 -1.392 -7.196 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.360 1.108 -6.602 1.00 0.00 H ATOM 115 HB3 LEU A 9 1.768 0.457 -6.207 1.00 0.00 H ATOM 116 HG LEU A 9 4.400 -0.570 -5.048 1.00 0.00 H ATOM 117 HD11 LEU A 9 2.436 1.459 -3.892 1.00 0.00 H ATOM 118 HD12 LEU A 9 3.839 0.774 -3.046 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.080 1.809 -4.462 1.00 0.00 H ATOM 120 HD21 LEU A 9 2.454 -2.136 -4.873 1.00 0.00 H ATOM 121 HD22 LEU A 9 2.983 -1.530 -3.297 1.00 0.00 H ATOM 122 HD23 LEU A 9 1.528 -0.857 -4.064 1.00 0.00 H ATOM 123 N ALA A 10 0.718 -1.372 -7.984 1.00 0.00 N ATOM 124 CA ALA A 10 -0.434 -2.218 -8.258 1.00 0.00 C ATOM 125 C ALA A 10 -0.114 -3.308 -9.281 1.00 0.00 C ATOM 126 O ALA A 10 -0.542 -4.448 -9.110 1.00 0.00 O ATOM 127 CB ALA A 10 -1.608 -1.359 -8.732 1.00 0.00 C ATOM 128 H ALA A 10 0.639 -0.382 -8.181 1.00 0.00 H ATOM 129 HA ALA A 10 -0.713 -2.708 -7.328 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.325 -0.796 -9.623 1.00 0.00 H ATOM 131 HB2 ALA A 10 -2.459 -1.999 -8.967 1.00 0.00 H ATOM 132 HB3 ALA A 10 -1.897 -0.666 -7.944 1.00 0.00 H ATOM 133 N GLU A 11 0.631 -2.960 -10.337 1.00 0.00 N ATOM 134 CA GLU A 11 0.980 -3.880 -11.407 1.00 0.00 C ATOM 135 C GLU A 11 1.727 -5.105 -10.877 1.00 0.00 C ATOM 136 O GLU A 11 1.314 -6.229 -11.156 1.00 0.00 O ATOM 137 CB GLU A 11 1.755 -3.140 -12.506 1.00 0.00 C ATOM 138 CG GLU A 11 1.989 -4.029 -13.732 1.00 0.00 C ATOM 139 CD GLU A 11 2.624 -3.232 -14.867 1.00 0.00 C ATOM 140 OE1 GLU A 11 3.872 -3.164 -14.889 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.849 -2.697 -15.690 1.00 0.00 O ATOM 142 H GLU A 11 0.940 -2.000 -10.421 1.00 0.00 H ATOM 143 HA GLU A 11 0.050 -4.229 -11.851 1.00 0.00 H ATOM 144 HB2 GLU A 11 1.171 -2.273 -12.820 1.00 0.00 H ATOM 145 HB3 GLU A 11 2.716 -2.796 -12.125 1.00 0.00 H ATOM 146 HG2 GLU A 11 2.645 -4.859 -13.469 1.00 0.00 H ATOM 147 HG3 GLU A 11 1.037 -4.435 -14.074 1.00 0.00 H ATOM 148 N LYS A 12 2.813 -4.905 -10.119 1.00 0.00 N ATOM 149 CA LYS A 12 3.631 -6.015 -9.644 1.00 0.00 C ATOM 150 C LYS A 12 3.033 -6.695 -8.405 1.00 0.00 C ATOM 151 O LYS A 12 2.973 -7.923 -8.362 1.00 0.00 O ATOM 152 CB LYS A 12 5.098 -5.588 -9.468 1.00 0.00 C ATOM 153 CG LYS A 12 5.355 -4.688 -8.257 1.00 0.00 C ATOM 154 CD LYS A 12 6.790 -4.147 -8.226 1.00 0.00 C ATOM 155 CE LYS A 12 7.836 -5.250 -8.031 1.00 0.00 C ATOM 156 NZ LYS A 12 9.180 -4.679 -7.846 1.00 0.00 N ATOM 157 H LYS A 12 3.109 -3.959 -9.915 1.00 0.00 H ATOM 158 HA LYS A 12 3.657 -6.768 -10.435 1.00 0.00 H ATOM 159 HB2 LYS A 12 5.693 -6.494 -9.352 1.00 0.00 H ATOM 160 HB3 LYS A 12 5.422 -5.071 -10.371 1.00 0.00 H ATOM 161 HG2 LYS A 12 4.667 -3.844 -8.281 1.00 0.00 H ATOM 162 HG3 LYS A 12 5.188 -5.265 -7.350 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.000 -3.599 -9.145 1.00 0.00 H ATOM 164 HD3 LYS A 12 6.863 -3.458 -7.386 1.00 0.00 H ATOM 165 HE2 LYS A 12 7.587 -5.840 -7.148 1.00 0.00 H ATOM 166 HE3 LYS A 12 7.861 -5.903 -8.903 1.00 0.00 H ATOM 167 HZ1 LYS A 12 9.181 -4.078 -7.034 1.00 0.00 H ATOM 168 HZ2 LYS A 12 9.849 -5.424 -7.712 1.00 0.00 H ATOM 169 HZ3 LYS A 12 9.435 -4.142 -8.662 1.00 0.00 H ATOM 170 N TYR A 13 2.598 -5.922 -7.399 1.00 0.00 N ATOM 171 CA TYR A 13 2.152 -6.467 -6.121 1.00 0.00 C ATOM 172 C TYR A 13 0.722 -7.005 -6.203 1.00 0.00 C ATOM 173 O TYR A 13 0.501 -8.200 -6.012 1.00 0.00 O ATOM 174 CB TYR A 13 2.238 -5.411 -5.005 1.00 0.00 C ATOM 175 CG TYR A 13 3.628 -5.128 -4.466 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.435 -4.128 -5.040 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.070 -5.796 -3.309 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.681 -3.811 -4.473 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.319 -5.485 -2.745 1.00 0.00 C ATOM 180 CZ TYR A 13 6.126 -4.493 -3.328 1.00 0.00 C ATOM 181 OH TYR A 13 7.338 -4.194 -2.776 1.00 0.00 O ATOM 182 H TYR A 13 2.638 -4.915 -7.494 1.00 0.00 H ATOM 183 HA TYR A 13 2.804 -7.295 -5.838 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.774 -4.483 -5.332 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.644 -5.775 -4.166 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.106 -3.603 -5.921 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.441 -6.537 -2.838 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.293 -3.040 -4.918 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.654 -6.004 -1.859 1.00 0.00 H ATOM 190 HH TYR A 13 7.810 -3.504 -3.248 1.00 0.00 H ATOM 191 N PHE A 14 -0.250 -6.116 -6.436 1.00 0.00 N ATOM 192 CA PHE A 14 -1.666 -6.437 -6.304 1.00 0.00 C ATOM 193 C PHE A 14 -2.141 -7.363 -7.422 1.00 0.00 C ATOM 194 O PHE A 14 -2.776 -8.379 -7.147 1.00 0.00 O ATOM 195 CB PHE A 14 -2.504 -5.152 -6.221 1.00 0.00 C ATOM 196 CG PHE A 14 -2.066 -4.113 -5.194 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.228 -4.449 -4.109 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.464 -2.772 -5.364 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.711 -3.444 -3.274 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.958 -1.769 -4.519 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.079 -2.104 -3.476 1.00 0.00 C ATOM 202 H PHE A 14 -0.001 -5.155 -6.625 1.00 0.00 H ATOM 203 HA PHE A 14 -1.810 -6.979 -5.368 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.495 -4.680 -7.204 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.533 -5.435 -5.998 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.950 -5.473 -3.911 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.131 -2.502 -6.169 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.022 -3.707 -2.483 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.235 -0.737 -4.681 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.688 -1.331 -2.830 1.00 0.00 H ATOM 211 N GLN A 15 -1.819 -7.027 -8.675 1.00 0.00 N ATOM 212 CA GLN A 15 -2.119 -7.875 -9.817 1.00 0.00 C ATOM 213 C GLN A 15 -1.071 -8.987 -9.894 1.00 0.00 C ATOM 214 O GLN A 15 -1.415 -10.166 -9.865 1.00 0.00 O ATOM 215 CB GLN A 15 -2.155 -7.041 -11.103 1.00 0.00 C ATOM 216 CG GLN A 15 -3.323 -6.048 -11.111 1.00 0.00 C ATOM 217 CD GLN A 15 -3.316 -5.235 -12.401 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.006 -5.584 -13.356 1.00 0.00 O ATOM 219 NE2 GLN A 15 -2.517 -4.161 -12.419 1.00 0.00 N ATOM 220 H GLN A 15 -1.286 -6.183 -8.837 1.00 0.00 H ATOM 221 HA GLN A 15 -3.102 -8.333 -9.689 1.00 0.00 H ATOM 222 HB2 GLN A 15 -1.222 -6.491 -11.214 1.00 0.00 H ATOM 223 HB3 GLN A 15 -2.267 -7.715 -11.954 1.00 0.00 H ATOM 224 HG2 GLN A 15 -4.264 -6.594 -11.037 1.00 0.00 H ATOM 225 HG3 GLN A 15 -3.245 -5.370 -10.260 1.00 0.00 H ATOM 226 HE21 GLN A 15 -1.996 -3.942 -11.582 1.00 0.00 H HETATM 227 N NH2 A 16 0.209 -8.620 -9.977 1.00 0.00 N HETATM 228 HN1 NH2 A 16 0.457 -7.640 -10.024 1.00 0.00 H HETATM 229 HN2 NH2 A 16 0.932 -9.324 -10.003 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -2.297 -3.315 -13.582 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.280 -1.841 -13.170 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.681 -1.387 -12.740 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.726 0.048 -12.200 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.278 1.104 -13.218 1.00 0.00 C HETATM 236 H11 LNK A 17 -3.068 -3.466 -14.339 1.00 0.00 H HETATM 237 H12 LNK A 17 -1.330 -3.571 -14.015 1.00 0.00 H HETATM 238 H21 LNK A 17 -1.569 -1.691 -12.357 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.962 -1.263 -14.038 1.00 0.00 H HETATM 240 H31 LNK A 17 -4.355 -1.464 -13.595 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.047 -2.046 -11.953 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.125 0.126 -11.292 1.00 0.00 H HETATM 243 H42 LNK A 17 -4.763 0.260 -11.937 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.661 0.859 -14.210 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.689 2.066 -12.910 1.00 0.00 H