HETATM 1 C ACE A 3 0.641 11.171 -7.607 1.00 0.00 C HETATM 2 O ACE A 3 0.089 10.642 -8.570 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.012 12.647 -7.662 1.00 0.00 C HETATM 4 H1 ACE A 3 2.091 12.757 -7.549 1.00 0.00 H HETATM 5 H2 ACE A 3 0.708 13.071 -8.620 1.00 0.00 H HETATM 6 H3 ACE A 3 0.505 13.181 -6.857 1.00 0.00 H ATOM 7 N ARG A 4 0.951 10.527 -6.473 1.00 0.00 N ATOM 8 CA ARG A 4 0.712 9.115 -6.191 1.00 0.00 C ATOM 9 C ARG A 4 0.981 8.197 -7.396 1.00 0.00 C ATOM 10 O ARG A 4 0.041 7.628 -7.951 1.00 0.00 O ATOM 11 CB ARG A 4 -0.670 8.906 -5.543 1.00 0.00 C ATOM 12 CG ARG A 4 -1.857 9.518 -6.303 1.00 0.00 C ATOM 13 CD ARG A 4 -3.185 9.069 -5.681 1.00 0.00 C ATOM 14 NE ARG A 4 -3.280 9.413 -4.254 1.00 0.00 N ATOM 15 CZ ARG A 4 -3.578 10.627 -3.761 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.814 11.665 -4.575 1.00 0.00 N ATOM 17 NH2 ARG A 4 -3.639 10.805 -2.435 1.00 0.00 N ATOM 18 H ARG A 4 1.396 11.061 -5.740 1.00 0.00 H ATOM 19 HA ARG A 4 1.418 8.822 -5.415 1.00 0.00 H ATOM 20 HB2 ARG A 4 -0.836 7.835 -5.419 1.00 0.00 H ATOM 21 HB3 ARG A 4 -0.637 9.356 -4.550 1.00 0.00 H ATOM 22 HG2 ARG A 4 -1.794 10.606 -6.270 1.00 0.00 H ATOM 23 HG3 ARG A 4 -1.847 9.199 -7.344 1.00 0.00 H ATOM 24 HD2 ARG A 4 -4.015 9.514 -6.232 1.00 0.00 H ATOM 25 HD3 ARG A 4 -3.266 7.985 -5.777 1.00 0.00 H ATOM 26 HE ARG A 4 -3.103 8.662 -3.602 1.00 0.00 H ATOM 27 HH11 ARG A 4 -3.765 11.542 -5.576 1.00 0.00 H ATOM 28 HH12 ARG A 4 -4.040 12.570 -4.191 1.00 0.00 H ATOM 29 HH21 ARG A 4 -3.462 10.034 -1.809 1.00 0.00 H ATOM 30 HH22 ARG A 4 -3.867 11.713 -2.057 1.00 0.00 H ATOM 31 N PRO A 5 2.255 8.020 -7.796 1.00 0.00 N ATOM 32 CA PRO A 5 2.651 7.080 -8.836 1.00 0.00 C ATOM 33 C PRO A 5 2.537 5.653 -8.293 1.00 0.00 C ATOM 34 O PRO A 5 3.529 5.039 -7.908 1.00 0.00 O ATOM 35 CB PRO A 5 4.086 7.472 -9.201 1.00 0.00 C ATOM 36 CG PRO A 5 4.637 8.025 -7.887 1.00 0.00 C ATOM 37 CD PRO A 5 3.421 8.715 -7.268 1.00 0.00 C ATOM 38 HA PRO A 5 2.022 7.175 -9.723 1.00 0.00 H ATOM 39 HB2 PRO A 5 4.678 6.642 -9.590 1.00 0.00 H ATOM 40 HB3 PRO A 5 4.055 8.279 -9.935 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.955 7.201 -7.246 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.466 8.715 -8.043 1.00 0.00 H ATOM 43 HD2 PRO A 5 3.488 8.660 -6.182 1.00 0.00 H ATOM 44 HD3 PRO A 5 3.395 9.756 -7.590 1.00 0.00 H ATOM 45 N LEU A 6 1.300 5.152 -8.241 1.00 0.00 N ATOM 46 CA LEU A 6 0.944 3.882 -7.630 1.00 0.00 C ATOM 47 C LEU A 6 1.019 2.736 -8.642 1.00 0.00 C ATOM 48 O LEU A 6 1.282 1.607 -8.241 1.00 0.00 O ATOM 49 CB LEU A 6 -0.461 4.015 -7.018 1.00 0.00 C ATOM 50 CG LEU A 6 -0.929 2.786 -6.218 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.075 2.568 -4.962 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.392 2.977 -5.803 1.00 0.00 C ATOM 53 H LEU A 6 0.540 5.747 -8.545 1.00 0.00 H ATOM 54 HA LEU A 6 1.653 3.683 -6.826 1.00 0.00 H ATOM 55 HB2 LEU A 6 -0.473 4.879 -6.352 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.170 4.199 -7.826 1.00 0.00 H ATOM 57 HG LEU A 6 -0.881 1.894 -6.841 1.00 0.00 H ATOM 58 HD11 LEU A 6 -0.081 3.467 -4.346 1.00 0.00 H ATOM 59 HD12 LEU A 6 -0.478 1.736 -4.384 1.00 0.00 H ATOM 60 HD13 LEU A 6 0.951 2.328 -5.234 1.00 0.00 H ATOM 61 HD21 LEU A 6 -3.012 3.133 -6.687 1.00 0.00 H ATOM 62 HD22 LEU A 6 -2.746 2.088 -5.281 1.00 0.00 H ATOM 63 HD23 LEU A 6 -2.484 3.840 -5.145 1.00 0.00 H ATOM 64 N GLN A 7 0.778 3.020 -9.932 1.00 0.00 N ATOM 65 CA GLN A 7 0.646 2.047 -11.015 1.00 0.00 C ATOM 66 C GLN A 7 1.641 0.886 -10.929 1.00 0.00 C ATOM 67 O GLN A 7 1.218 -0.266 -10.862 1.00 0.00 O ATOM 68 CB GLN A 7 0.752 2.763 -12.374 1.00 0.00 C ATOM 69 CG GLN A 7 -0.635 3.061 -12.961 1.00 0.00 C ATOM 70 CD GLN A 7 -1.356 1.795 -13.432 1.00 0.00 C ATOM 71 OE1 GLN A 7 -0.722 0.775 -13.695 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.688 1.864 -13.541 1.00 0.00 N ATOM 73 H GLN A 7 0.579 3.980 -10.171 1.00 0.00 H ATOM 74 HA GLN A 7 -0.349 1.610 -10.923 1.00 0.00 H ATOM 75 HB2 GLN A 7 1.301 3.698 -12.257 1.00 0.00 H ATOM 76 HB3 GLN A 7 1.306 2.149 -13.087 1.00 0.00 H ATOM 77 HG2 GLN A 7 -1.238 3.576 -12.212 1.00 0.00 H ATOM 78 HG3 GLN A 7 -0.517 3.719 -13.823 1.00 0.00 H ATOM 79 HE21 GLN A 7 -3.158 2.728 -13.312 1.00 0.00 H ATOM 80 N TRP A 8 2.947 1.178 -10.927 1.00 0.00 N ATOM 81 CA TRP A 8 3.988 0.154 -10.873 1.00 0.00 C ATOM 82 C TRP A 8 3.758 -0.815 -9.704 1.00 0.00 C ATOM 83 O TRP A 8 3.852 -2.027 -9.876 1.00 0.00 O ATOM 84 CB TRP A 8 5.372 0.815 -10.783 1.00 0.00 C ATOM 85 CG TRP A 8 5.665 1.492 -9.479 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.291 2.745 -9.142 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.268 0.921 -8.278 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.586 2.982 -7.816 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.181 1.882 -7.230 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.836 -0.332 -7.956 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.621 1.610 -5.926 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.309 -0.603 -6.659 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.199 0.362 -5.643 1.00 0.00 C ATOM 94 H TRP A 8 3.230 2.147 -10.970 1.00 0.00 H ATOM 95 HA TRP A 8 3.950 -0.412 -11.805 1.00 0.00 H ATOM 96 HB2 TRP A 8 6.124 0.038 -10.927 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.479 1.534 -11.596 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.778 3.436 -9.794 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.362 3.832 -7.317 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.911 -1.093 -8.718 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.490 2.339 -5.141 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.759 -1.560 -6.442 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.547 0.140 -4.645 1.00 0.00 H ATOM 104 N LEU A 9 3.435 -0.263 -8.528 1.00 0.00 N ATOM 105 CA LEU A 9 3.207 -0.988 -7.288 1.00 0.00 C ATOM 106 C LEU A 9 1.956 -1.853 -7.447 1.00 0.00 C ATOM 107 O LEU A 9 1.987 -3.050 -7.171 1.00 0.00 O ATOM 108 CB LEU A 9 3.070 0.032 -6.140 1.00 0.00 C ATOM 109 CG LEU A 9 3.618 -0.444 -4.785 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.662 0.739 -3.810 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.757 -1.545 -4.164 1.00 0.00 C ATOM 112 H LEU A 9 3.309 0.739 -8.498 1.00 0.00 H ATOM 113 HA LEU A 9 4.077 -1.621 -7.105 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.640 0.922 -6.407 1.00 0.00 H ATOM 115 HB3 LEU A 9 2.029 0.331 -6.023 1.00 0.00 H ATOM 116 HG LEU A 9 4.633 -0.820 -4.917 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.267 1.545 -4.224 1.00 0.00 H ATOM 118 HD12 LEU A 9 2.653 1.112 -3.629 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.101 0.425 -2.863 1.00 0.00 H ATOM 120 HD21 LEU A 9 1.734 -1.191 -4.044 1.00 0.00 H ATOM 121 HD22 LEU A 9 2.762 -2.425 -4.797 1.00 0.00 H ATOM 122 HD23 LEU A 9 3.166 -1.814 -3.190 1.00 0.00 H ATOM 123 N ALA A 10 0.865 -1.239 -7.924 1.00 0.00 N ATOM 124 CA ALA A 10 -0.417 -1.891 -8.125 1.00 0.00 C ATOM 125 C ALA A 10 -0.272 -3.137 -8.994 1.00 0.00 C ATOM 126 O ALA A 10 -0.644 -4.223 -8.557 1.00 0.00 O ATOM 127 CB ALA A 10 -1.424 -0.904 -8.721 1.00 0.00 C ATOM 128 H ALA A 10 0.931 -0.258 -8.159 1.00 0.00 H ATOM 129 HA ALA A 10 -0.790 -2.192 -7.148 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.547 -0.057 -8.048 1.00 0.00 H ATOM 131 HB2 ALA A 10 -1.081 -0.544 -9.691 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.389 -1.396 -8.848 1.00 0.00 H ATOM 133 N GLU A 11 0.280 -2.989 -10.205 1.00 0.00 N ATOM 134 CA GLU A 11 0.419 -4.097 -11.141 1.00 0.00 C ATOM 135 C GLU A 11 1.370 -5.164 -10.600 1.00 0.00 C ATOM 136 O GLU A 11 1.054 -6.351 -10.658 1.00 0.00 O ATOM 137 CB GLU A 11 0.882 -3.612 -12.524 1.00 0.00 C ATOM 138 CG GLU A 11 -0.002 -2.524 -13.152 1.00 0.00 C ATOM 139 CD GLU A 11 -1.492 -2.807 -12.995 1.00 0.00 C ATOM 140 OE1 GLU A 11 -2.016 -3.600 -13.805 1.00 0.00 O ATOM 141 OE2 GLU A 11 -2.082 -2.228 -12.056 1.00 0.00 O ATOM 142 H GLU A 11 0.589 -2.071 -10.498 1.00 0.00 H ATOM 143 HA GLU A 11 -0.559 -4.561 -11.254 1.00 0.00 H ATOM 144 HB2 GLU A 11 1.903 -3.231 -12.456 1.00 0.00 H ATOM 145 HB3 GLU A 11 0.882 -4.474 -13.194 1.00 0.00 H ATOM 146 HG2 GLU A 11 0.219 -1.564 -12.694 1.00 0.00 H ATOM 147 HG3 GLU A 11 0.238 -2.448 -14.213 1.00 0.00 H ATOM 148 N LYS A 12 2.535 -4.744 -10.090 1.00 0.00 N ATOM 149 CA LYS A 12 3.580 -5.648 -9.632 1.00 0.00 C ATOM 150 C LYS A 12 3.091 -6.550 -8.497 1.00 0.00 C ATOM 151 O LYS A 12 3.243 -7.767 -8.576 1.00 0.00 O ATOM 152 CB LYS A 12 4.816 -4.834 -9.222 1.00 0.00 C ATOM 153 CG LYS A 12 5.961 -5.719 -8.717 1.00 0.00 C ATOM 154 CD LYS A 12 7.227 -4.878 -8.520 1.00 0.00 C ATOM 155 CE LYS A 12 8.340 -5.682 -7.838 1.00 0.00 C ATOM 156 NZ LYS A 12 8.750 -6.845 -8.643 1.00 0.00 N ATOM 157 H LYS A 12 2.730 -3.751 -10.059 1.00 0.00 H ATOM 158 HA LYS A 12 3.865 -6.283 -10.472 1.00 0.00 H ATOM 159 HB2 LYS A 12 5.167 -4.282 -10.095 1.00 0.00 H ATOM 160 HB3 LYS A 12 4.547 -4.123 -8.440 1.00 0.00 H ATOM 161 HG2 LYS A 12 5.682 -6.176 -7.766 1.00 0.00 H ATOM 162 HG3 LYS A 12 6.155 -6.504 -9.449 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.579 -4.516 -9.487 1.00 0.00 H ATOM 164 HD3 LYS A 12 6.993 -4.016 -7.894 1.00 0.00 H ATOM 165 HE2 LYS A 12 9.206 -5.035 -7.696 1.00 0.00 H ATOM 166 HE3 LYS A 12 7.998 -6.027 -6.862 1.00 0.00 H ATOM 167 HZ1 LYS A 12 9.061 -6.535 -9.553 1.00 0.00 H ATOM 168 HZ2 LYS A 12 9.505 -7.328 -8.177 1.00 0.00 H ATOM 169 HZ3 LYS A 12 7.968 -7.474 -8.752 1.00 0.00 H ATOM 170 N TYR A 13 2.536 -5.955 -7.436 1.00 0.00 N ATOM 171 CA TYR A 13 2.206 -6.672 -6.212 1.00 0.00 C ATOM 172 C TYR A 13 0.801 -7.276 -6.250 1.00 0.00 C ATOM 173 O TYR A 13 0.631 -8.417 -5.823 1.00 0.00 O ATOM 174 CB TYR A 13 2.396 -5.752 -4.999 1.00 0.00 C ATOM 175 CG TYR A 13 3.854 -5.487 -4.663 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.574 -4.484 -5.340 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.518 -6.304 -3.728 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.931 -4.269 -5.052 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.879 -6.096 -3.447 1.00 0.00 C ATOM 180 CZ TYR A 13 6.587 -5.079 -4.112 1.00 0.00 C ATOM 181 OH TYR A 13 7.911 -4.879 -3.851 1.00 0.00 O ATOM 182 H TYR A 13 2.412 -4.951 -7.441 1.00 0.00 H ATOM 183 HA TYR A 13 2.908 -7.498 -6.082 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.875 -4.809 -5.165 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.934 -6.228 -4.133 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.094 -3.879 -6.089 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.988 -7.103 -3.230 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.470 -3.483 -5.559 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.379 -6.722 -2.724 1.00 0.00 H ATOM 190 HH TYR A 13 8.261 -5.479 -3.188 1.00 0.00 H ATOM 191 N PHE A 14 -0.203 -6.524 -6.724 1.00 0.00 N ATOM 192 CA PHE A 14 -1.607 -6.907 -6.601 1.00 0.00 C ATOM 193 C PHE A 14 -2.189 -7.375 -7.939 1.00 0.00 C ATOM 194 O PHE A 14 -2.503 -8.554 -8.096 1.00 0.00 O ATOM 195 CB PHE A 14 -2.405 -5.745 -5.983 1.00 0.00 C ATOM 196 CG PHE A 14 -1.753 -5.089 -4.775 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.219 -5.873 -3.734 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.604 -3.689 -4.733 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.472 -5.270 -2.707 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.855 -3.086 -3.708 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.269 -3.879 -2.707 1.00 0.00 C ATOM 202 H PHE A 14 -0.002 -5.608 -7.103 1.00 0.00 H ATOM 203 HA PHE A 14 -1.704 -7.746 -5.910 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.554 -4.977 -6.742 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.387 -6.115 -5.687 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.357 -6.944 -3.727 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.067 -3.070 -5.486 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.042 -5.877 -1.923 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.732 -2.013 -3.688 1.00 0.00 H ATOM 210 HZ PHE A 14 0.324 -3.419 -1.930 1.00 0.00 H ATOM 211 N GLN A 15 -2.358 -6.452 -8.892 1.00 0.00 N ATOM 212 CA GLN A 15 -3.044 -6.685 -10.156 1.00 0.00 C ATOM 213 C GLN A 15 -2.050 -7.228 -11.187 1.00 0.00 C ATOM 214 O GLN A 15 -1.771 -6.596 -12.204 1.00 0.00 O ATOM 215 CB GLN A 15 -3.732 -5.377 -10.581 1.00 0.00 C ATOM 216 CG GLN A 15 -4.686 -5.548 -11.774 1.00 0.00 C ATOM 217 CD GLN A 15 -5.499 -4.282 -12.043 1.00 0.00 C ATOM 218 OE1 GLN A 15 -6.721 -4.344 -12.163 1.00 0.00 O ATOM 219 NE2 GLN A 15 -4.814 -3.137 -12.134 1.00 0.00 N ATOM 220 H GLN A 15 -2.018 -5.516 -8.716 1.00 0.00 H ATOM 221 HA GLN A 15 -3.825 -7.432 -10.005 1.00 0.00 H ATOM 222 HB2 GLN A 15 -4.323 -5.015 -9.737 1.00 0.00 H ATOM 223 HB3 GLN A 15 -2.972 -4.631 -10.811 1.00 0.00 H ATOM 224 HG2 GLN A 15 -4.126 -5.791 -12.677 1.00 0.00 H ATOM 225 HG3 GLN A 15 -5.377 -6.366 -11.563 1.00 0.00 H ATOM 226 HE21 GLN A 15 -3.807 -3.169 -12.044 1.00 0.00 H HETATM 227 N NH2 A 16 -1.509 -8.419 -10.921 1.00 0.00 N HETATM 228 HN1 NH2 A 16 -1.757 -8.896 -10.064 1.00 0.00 H HETATM 229 HN2 NH2 A 16 -0.837 -8.821 -11.559 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -5.401 -1.830 -12.368 1.00 0.00 C HETATM 232 C2 LNK A 17 -5.467 -1.560 -13.875 1.00 0.00 C HETATM 233 C3 LNK A 17 -5.885 -0.120 -14.208 1.00 0.00 C HETATM 234 C4 LNK A 17 -4.966 0.972 -13.638 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.495 0.747 -14.002 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.756 -1.100 -11.882 1.00 0.00 H HETATM 237 H12 LNK A 17 -6.398 -1.762 -11.929 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.499 -1.776 -14.328 1.00 0.00 H HETATM 239 H22 LNK A 17 -6.198 -2.240 -14.315 1.00 0.00 H HETATM 240 H31 LNK A 17 -5.901 -0.022 -15.295 1.00 0.00 H HETATM 241 H32 LNK A 17 -6.897 0.048 -13.836 1.00 0.00 H HETATM 242 H41 LNK A 17 -5.069 1.021 -12.554 1.00 0.00 H HETATM 243 H42 LNK A 17 -5.287 1.930 -14.050 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.136 -0.167 -13.529 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.394 0.656 -15.084 1.00 0.00 H