HETATM 1 C ACE A 3 -0.629 11.328 -7.015 1.00 0.00 C HETATM 2 O ACE A 3 0.319 11.676 -6.314 1.00 0.00 O HETATM 3 CH3 ACE A 3 -1.482 12.372 -7.726 1.00 0.00 C HETATM 4 H1 ACE A 3 -2.515 12.294 -7.386 1.00 0.00 H HETATM 5 H2 ACE A 3 -1.108 13.372 -7.503 1.00 0.00 H HETATM 6 H3 ACE A 3 -1.441 12.207 -8.803 1.00 0.00 H ATOM 7 N ARG A 4 -0.978 10.049 -7.202 1.00 0.00 N ATOM 8 CA ARG A 4 -0.289 8.910 -6.609 1.00 0.00 C ATOM 9 C ARG A 4 -0.033 7.862 -7.699 1.00 0.00 C ATOM 10 O ARG A 4 -0.788 6.895 -7.797 1.00 0.00 O ATOM 11 CB ARG A 4 -1.134 8.333 -5.463 1.00 0.00 C ATOM 12 CG ARG A 4 -1.272 9.326 -4.301 1.00 0.00 C ATOM 13 CD ARG A 4 -1.993 8.687 -3.108 1.00 0.00 C ATOM 14 NE ARG A 4 -3.356 8.257 -3.452 1.00 0.00 N ATOM 15 CZ ARG A 4 -4.427 9.062 -3.554 1.00 0.00 C ATOM 16 NH1 ARG A 4 -4.325 10.382 -3.348 1.00 0.00 N ATOM 17 NH2 ARG A 4 -5.619 8.535 -3.868 1.00 0.00 N ATOM 18 H ARG A 4 -1.771 9.849 -7.793 1.00 0.00 H ATOM 19 HA ARG A 4 0.667 9.207 -6.178 1.00 0.00 H ATOM 20 HB2 ARG A 4 -2.125 8.068 -5.837 1.00 0.00 H ATOM 21 HB3 ARG A 4 -0.647 7.431 -5.090 1.00 0.00 H ATOM 22 HG2 ARG A 4 -0.278 9.638 -3.976 1.00 0.00 H ATOM 23 HG3 ARG A 4 -1.824 10.207 -4.628 1.00 0.00 H ATOM 24 HD2 ARG A 4 -1.429 7.813 -2.781 1.00 0.00 H ATOM 25 HD3 ARG A 4 -2.024 9.395 -2.279 1.00 0.00 H ATOM 26 HE ARG A 4 -3.483 7.269 -3.623 1.00 0.00 H ATOM 27 HH11 ARG A 4 -3.430 10.790 -3.118 1.00 0.00 H ATOM 28 HH12 ARG A 4 -5.139 10.974 -3.427 1.00 0.00 H ATOM 29 HH21 ARG A 4 -5.708 7.542 -4.026 1.00 0.00 H ATOM 30 HH22 ARG A 4 -6.431 9.130 -3.948 1.00 0.00 H ATOM 31 N PRO A 5 1.018 8.027 -8.522 1.00 0.00 N ATOM 32 CA PRO A 5 1.353 7.109 -9.603 1.00 0.00 C ATOM 33 C PRO A 5 2.112 5.896 -9.057 1.00 0.00 C ATOM 34 O PRO A 5 3.232 5.614 -9.478 1.00 0.00 O ATOM 35 CB PRO A 5 2.184 7.953 -10.576 1.00 0.00 C ATOM 36 CG PRO A 5 2.944 8.885 -9.634 1.00 0.00 C ATOM 37 CD PRO A 5 1.916 9.173 -8.538 1.00 0.00 C ATOM 38 HA PRO A 5 0.465 6.741 -10.119 1.00 0.00 H ATOM 39 HB2 PRO A 5 2.844 7.369 -11.218 1.00 0.00 H ATOM 40 HB3 PRO A 5 1.510 8.550 -11.192 1.00 0.00 H ATOM 41 HG2 PRO A 5 3.797 8.353 -9.209 1.00 0.00 H ATOM 42 HG3 PRO A 5 3.280 9.794 -10.135 1.00 0.00 H ATOM 43 HD2 PRO A 5 2.425 9.309 -7.584 1.00 0.00 H ATOM 44 HD3 PRO A 5 1.356 10.072 -8.798 1.00 0.00 H ATOM 45 N LEU A 6 1.474 5.155 -8.142 1.00 0.00 N ATOM 46 CA LEU A 6 1.972 3.886 -7.630 1.00 0.00 C ATOM 47 C LEU A 6 1.470 2.706 -8.467 1.00 0.00 C ATOM 48 O LEU A 6 1.445 1.584 -7.971 1.00 0.00 O ATOM 49 CB LEU A 6 1.688 3.760 -6.121 1.00 0.00 C ATOM 50 CG LEU A 6 0.220 3.866 -5.660 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.635 2.648 -6.037 1.00 0.00 C ATOM 52 CD2 LEU A 6 0.203 3.997 -4.132 1.00 0.00 C ATOM 53 H LEU A 6 0.548 5.444 -7.855 1.00 0.00 H ATOM 54 HA LEU A 6 3.059 3.872 -7.719 1.00 0.00 H ATOM 55 HB2 LEU A 6 2.108 2.824 -5.754 1.00 0.00 H ATOM 56 HB3 LEU A 6 2.238 4.571 -5.641 1.00 0.00 H ATOM 57 HG LEU A 6 -0.239 4.763 -6.074 1.00 0.00 H ATOM 58 HD11 LEU A 6 -0.153 1.729 -5.699 1.00 0.00 H ATOM 59 HD12 LEU A 6 -1.612 2.725 -5.559 1.00 0.00 H ATOM 60 HD13 LEU A 6 -0.795 2.611 -7.113 1.00 0.00 H ATOM 61 HD21 LEU A 6 0.762 4.881 -3.826 1.00 0.00 H ATOM 62 HD22 LEU A 6 -0.824 4.096 -3.778 1.00 0.00 H ATOM 63 HD23 LEU A 6 0.652 3.113 -3.677 1.00 0.00 H ATOM 64 N GLN A 7 1.103 2.937 -9.738 1.00 0.00 N ATOM 65 CA GLN A 7 0.708 1.894 -10.679 1.00 0.00 C ATOM 66 C GLN A 7 1.786 0.815 -10.768 1.00 0.00 C ATOM 67 O GLN A 7 1.461 -0.368 -10.828 1.00 0.00 O ATOM 68 CB GLN A 7 0.400 2.520 -12.050 1.00 0.00 C ATOM 69 CG GLN A 7 0.104 1.486 -13.156 1.00 0.00 C ATOM 70 CD GLN A 7 1.358 0.899 -13.814 1.00 0.00 C ATOM 71 OE1 GLN A 7 2.427 1.505 -13.763 1.00 0.00 O ATOM 72 NE2 GLN A 7 1.232 -0.274 -14.451 1.00 0.00 N ATOM 73 H GLN A 7 1.152 3.879 -10.094 1.00 0.00 H ATOM 74 HA GLN A 7 -0.208 1.429 -10.311 1.00 0.00 H ATOM 75 HB2 GLN A 7 -0.489 3.141 -11.928 1.00 0.00 H ATOM 76 HB3 GLN A 7 1.217 3.174 -12.357 1.00 0.00 H ATOM 77 HG2 GLN A 7 -0.516 0.688 -12.746 1.00 0.00 H ATOM 78 HG3 GLN A 7 -0.462 1.986 -13.943 1.00 0.00 H ATOM 79 HE21 GLN A 7 0.337 -0.742 -14.465 1.00 0.00 H ATOM 80 N TRP A 8 3.061 1.223 -10.760 1.00 0.00 N ATOM 81 CA TRP A 8 4.185 0.297 -10.774 1.00 0.00 C ATOM 82 C TRP A 8 4.104 -0.681 -9.593 1.00 0.00 C ATOM 83 O TRP A 8 4.370 -1.868 -9.755 1.00 0.00 O ATOM 84 CB TRP A 8 5.510 1.075 -10.765 1.00 0.00 C ATOM 85 CG TRP A 8 5.891 1.685 -9.449 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.564 2.925 -9.023 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.587 1.053 -8.333 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.991 3.103 -7.723 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.615 1.968 -7.241 1.00 0.00 C ATOM 90 CE3 TRP A 8 7.157 -0.222 -8.118 1.00 0.00 C ATOM 91 CZ2 TRP A 8 7.176 1.634 -5.999 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.722 -0.567 -6.876 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.730 0.357 -5.817 1.00 0.00 C ATOM 94 H TRP A 8 3.251 2.215 -10.721 1.00 0.00 H ATOM 95 HA TRP A 8 4.135 -0.273 -11.703 1.00 0.00 H ATOM 96 HB2 TRP A 8 6.304 0.381 -11.042 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.474 1.855 -11.528 1.00 0.00 H ATOM 98 HD1 TRP A 8 5.015 3.655 -9.599 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.854 3.937 -7.170 1.00 0.00 H ATOM 100 HE3 TRP A 8 7.146 -0.951 -8.915 1.00 0.00 H ATOM 101 HZ2 TRP A 8 7.162 2.343 -5.184 1.00 0.00 H ATOM 102 HZ3 TRP A 8 8.144 -1.551 -6.734 1.00 0.00 H ATOM 103 HH2 TRP A 8 8.142 0.073 -4.860 1.00 0.00 H ATOM 104 N LEU A 9 3.738 -0.171 -8.410 1.00 0.00 N ATOM 105 CA LEU A 9 3.669 -0.916 -7.162 1.00 0.00 C ATOM 106 C LEU A 9 2.444 -1.831 -7.208 1.00 0.00 C ATOM 107 O LEU A 9 2.554 -3.043 -7.030 1.00 0.00 O ATOM 108 CB LEU A 9 3.592 0.094 -5.998 1.00 0.00 C ATOM 109 CG LEU A 9 4.243 -0.380 -4.690 1.00 0.00 C ATOM 110 CD1 LEU A 9 4.180 0.749 -3.655 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.557 -1.619 -4.118 1.00 0.00 C ATOM 112 H LEU A 9 3.490 0.807 -8.371 1.00 0.00 H ATOM 113 HA LEU A 9 4.577 -1.512 -7.062 1.00 0.00 H ATOM 114 HB2 LEU A 9 4.119 1.001 -6.294 1.00 0.00 H ATOM 115 HB3 LEU A 9 2.555 0.364 -5.798 1.00 0.00 H ATOM 116 HG LEU A 9 5.289 -0.620 -4.876 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.668 1.641 -4.048 1.00 0.00 H ATOM 118 HD12 LEU A 9 3.141 0.983 -3.421 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.691 0.441 -2.743 1.00 0.00 H ATOM 120 HD21 LEU A 9 2.487 -1.443 -4.001 1.00 0.00 H ATOM 121 HD22 LEU A 9 3.722 -2.452 -4.793 1.00 0.00 H ATOM 122 HD23 LEU A 9 3.992 -1.867 -3.149 1.00 0.00 H ATOM 123 N ALA A 10 1.277 -1.230 -7.464 1.00 0.00 N ATOM 124 CA ALA A 10 -0.009 -1.899 -7.465 1.00 0.00 C ATOM 125 C ALA A 10 -0.027 -3.058 -8.452 1.00 0.00 C ATOM 126 O ALA A 10 -0.360 -4.178 -8.077 1.00 0.00 O ATOM 127 CB ALA A 10 -1.121 -0.894 -7.775 1.00 0.00 C ATOM 128 H ALA A 10 1.278 -0.234 -7.627 1.00 0.00 H ATOM 129 HA ALA A 10 -0.167 -2.287 -6.464 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.122 -0.103 -7.026 1.00 0.00 H ATOM 131 HB2 ALA A 10 -0.969 -0.453 -8.761 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.086 -1.400 -7.755 1.00 0.00 H ATOM 133 N GLU A 11 0.350 -2.790 -9.706 1.00 0.00 N ATOM 134 CA GLU A 11 0.276 -3.765 -10.781 1.00 0.00 C ATOM 135 C GLU A 11 1.544 -4.620 -10.885 1.00 0.00 C ATOM 136 O GLU A 11 1.802 -5.195 -11.941 1.00 0.00 O ATOM 137 CB GLU A 11 -0.058 -3.058 -12.099 1.00 0.00 C ATOM 138 CG GLU A 11 -1.298 -2.158 -12.006 1.00 0.00 C ATOM 139 CD GLU A 11 -2.522 -2.924 -11.510 1.00 0.00 C ATOM 140 OE1 GLU A 11 -3.100 -3.665 -12.333 1.00 0.00 O ATOM 141 OE2 GLU A 11 -2.852 -2.761 -10.315 1.00 0.00 O ATOM 142 H GLU A 11 0.658 -1.856 -9.941 1.00 0.00 H ATOM 143 HA GLU A 11 -0.541 -4.455 -10.571 1.00 0.00 H ATOM 144 HB2 GLU A 11 0.796 -2.458 -12.417 1.00 0.00 H ATOM 145 HB3 GLU A 11 -0.253 -3.823 -12.848 1.00 0.00 H ATOM 146 HG2 GLU A 11 -1.103 -1.317 -11.340 1.00 0.00 H ATOM 147 HG3 GLU A 11 -1.513 -1.758 -12.998 1.00 0.00 H ATOM 148 N LYS A 12 2.318 -4.727 -9.797 1.00 0.00 N ATOM 149 CA LYS A 12 3.411 -5.680 -9.667 1.00 0.00 C ATOM 150 C LYS A 12 2.895 -6.853 -8.837 1.00 0.00 C ATOM 151 O LYS A 12 2.987 -8.002 -9.262 1.00 0.00 O ATOM 152 CB LYS A 12 4.633 -5.010 -9.025 1.00 0.00 C ATOM 153 CG LYS A 12 5.783 -5.999 -8.800 1.00 0.00 C ATOM 154 CD LYS A 12 7.015 -5.258 -8.272 1.00 0.00 C ATOM 155 CE LYS A 12 8.164 -6.238 -8.020 1.00 0.00 C ATOM 156 NZ LYS A 12 9.320 -5.557 -7.415 1.00 0.00 N ATOM 157 H LYS A 12 2.075 -4.203 -8.968 1.00 0.00 H ATOM 158 HA LYS A 12 3.717 -6.053 -10.646 1.00 0.00 H ATOM 159 HB2 LYS A 12 4.985 -4.230 -9.698 1.00 0.00 H ATOM 160 HB3 LYS A 12 4.361 -4.560 -8.070 1.00 0.00 H ATOM 161 HG2 LYS A 12 5.485 -6.755 -8.072 1.00 0.00 H ATOM 162 HG3 LYS A 12 6.031 -6.487 -9.743 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.333 -4.511 -9.001 1.00 0.00 H ATOM 164 HD3 LYS A 12 6.759 -4.750 -7.341 1.00 0.00 H ATOM 165 HE2 LYS A 12 7.833 -7.028 -7.346 1.00 0.00 H ATOM 166 HE3 LYS A 12 8.471 -6.687 -8.965 1.00 0.00 H ATOM 167 HZ1 LYS A 12 9.640 -4.823 -8.030 1.00 0.00 H ATOM 168 HZ2 LYS A 12 9.048 -5.160 -6.527 1.00 0.00 H ATOM 169 HZ3 LYS A 12 10.066 -6.223 -7.270 1.00 0.00 H ATOM 170 N TYR A 13 2.354 -6.547 -7.651 1.00 0.00 N ATOM 171 CA TYR A 13 1.880 -7.532 -6.691 1.00 0.00 C ATOM 172 C TYR A 13 0.374 -7.755 -6.840 1.00 0.00 C ATOM 173 O TYR A 13 -0.066 -8.893 -6.986 1.00 0.00 O ATOM 174 CB TYR A 13 2.232 -7.071 -5.273 1.00 0.00 C ATOM 175 CG TYR A 13 3.700 -6.743 -5.074 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.664 -7.766 -5.069 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.104 -5.403 -4.941 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.026 -7.449 -4.915 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.464 -5.083 -4.793 1.00 0.00 C ATOM 180 CZ TYR A 13 6.426 -6.108 -4.778 1.00 0.00 C ATOM 181 OH TYR A 13 7.747 -5.798 -4.635 1.00 0.00 O ATOM 182 H TYR A 13 2.311 -5.576 -7.377 1.00 0.00 H ATOM 183 HA TYR A 13 2.386 -8.483 -6.860 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.645 -6.184 -5.041 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.950 -7.854 -4.568 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.363 -8.797 -5.183 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.362 -4.621 -4.952 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.762 -8.240 -4.907 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.772 -4.051 -4.693 1.00 0.00 H ATOM 190 HH TYR A 13 8.315 -6.571 -4.611 1.00 0.00 H ATOM 191 N PHE A 14 -0.418 -6.675 -6.796 1.00 0.00 N ATOM 192 CA PHE A 14 -1.877 -6.737 -6.746 1.00 0.00 C ATOM 193 C PHE A 14 -2.485 -6.759 -8.158 1.00 0.00 C ATOM 194 O PHE A 14 -3.580 -6.235 -8.359 1.00 0.00 O ATOM 195 CB PHE A 14 -2.436 -5.544 -5.940 1.00 0.00 C ATOM 196 CG PHE A 14 -1.603 -5.021 -4.779 1.00 0.00 C ATOM 197 CD1 PHE A 14 -0.949 -5.896 -3.890 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.446 -3.631 -4.620 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.056 -5.384 -2.930 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.519 -3.120 -3.696 1.00 0.00 C ATOM 201 CZ PHE A 14 0.183 -4.000 -2.854 1.00 0.00 C ATOM 202 H PHE A 14 0.003 -5.757 -6.744 1.00 0.00 H ATOM 203 HA PHE A 14 -2.175 -7.651 -6.230 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.567 -4.710 -6.631 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.425 -5.812 -5.564 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.105 -6.962 -3.962 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.015 -2.947 -5.233 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.465 -6.058 -2.266 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.340 -2.052 -3.647 1.00 0.00 H ATOM 210 HZ PHE A 14 0.900 -3.611 -2.146 1.00 0.00 H ATOM 211 N GLN A 15 -1.785 -7.344 -9.142 1.00 0.00 N ATOM 212 CA GLN A 15 -2.187 -7.301 -10.543 1.00 0.00 C ATOM 213 C GLN A 15 -3.234 -8.383 -10.828 1.00 0.00 C ATOM 214 O GLN A 15 -2.965 -9.365 -11.515 1.00 0.00 O ATOM 215 CB GLN A 15 -0.943 -7.416 -11.439 1.00 0.00 C ATOM 216 CG GLN A 15 -1.240 -6.932 -12.867 1.00 0.00 C ATOM 217 CD GLN A 15 0.008 -6.935 -13.751 1.00 0.00 C ATOM 218 OE1 GLN A 15 0.833 -7.840 -13.649 1.00 0.00 O ATOM 219 NE2 GLN A 15 0.143 -5.924 -14.621 1.00 0.00 N ATOM 220 H GLN A 15 -0.912 -7.800 -8.918 1.00 0.00 H ATOM 221 HA GLN A 15 -2.638 -6.326 -10.740 1.00 0.00 H ATOM 222 HB2 GLN A 15 -0.157 -6.788 -11.023 1.00 0.00 H ATOM 223 HB3 GLN A 15 -0.578 -8.444 -11.451 1.00 0.00 H ATOM 224 HG2 GLN A 15 -1.988 -7.579 -13.327 1.00 0.00 H ATOM 225 HG3 GLN A 15 -1.639 -5.919 -12.820 1.00 0.00 H ATOM 226 HE21 GLN A 15 -0.568 -5.209 -14.665 1.00 0.00 H HETATM 227 N NH2 A 16 -4.444 -8.203 -10.294 1.00 0.00 N HETATM 228 HN1 NH2 A 16 -5.173 -8.882 -10.453 1.00 0.00 H HETATM 229 HN2 NH2 A 16 -4.612 -7.391 -9.714 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 1.282 -5.814 -15.520 1.00 0.00 C HETATM 232 C2 LNK A 17 1.286 -4.470 -16.262 1.00 0.00 C HETATM 233 C3 LNK A 17 1.481 -3.278 -15.314 1.00 0.00 C HETATM 234 C4 LNK A 17 1.882 -2.018 -16.089 1.00 0.00 C HETATM 235 C5 LNK A 17 2.346 -0.883 -15.166 1.00 0.00 C HETATM 236 H11 LNK A 17 1.229 -6.619 -16.254 1.00 0.00 H HETATM 237 H12 LNK A 17 2.210 -5.916 -14.955 1.00 0.00 H HETATM 238 H21 LNK A 17 2.115 -4.498 -16.970 1.00 0.00 H HETATM 239 H22 LNK A 17 0.358 -4.348 -16.821 1.00 0.00 H HETATM 240 H31 LNK A 17 0.549 -3.084 -14.787 1.00 0.00 H HETATM 241 H32 LNK A 17 2.265 -3.518 -14.595 1.00 0.00 H HETATM 242 H41 LNK A 17 1.052 -1.681 -16.711 1.00 0.00 H HETATM 243 H42 LNK A 17 2.722 -2.266 -16.740 1.00 0.00 H HETATM 244 H51 LNK A 17 3.081 -1.260 -14.453 1.00 0.00 H HETATM 245 H52 LNK A 17 2.823 -0.123 -15.788 1.00 0.00 H