HETATM 1 C ACE A 3 1.786 10.744 -9.903 1.00 0.00 C HETATM 2 O ACE A 3 2.131 9.768 -10.567 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.343 12.120 -10.246 1.00 0.00 C HETATM 4 H1 ACE A 3 3.115 12.387 -9.523 1.00 0.00 H HETATM 5 H2 ACE A 3 2.779 12.105 -11.245 1.00 0.00 H HETATM 6 H3 ACE A 3 1.550 12.866 -10.214 1.00 0.00 H ATOM 7 N ARG A 4 0.936 10.701 -8.864 1.00 0.00 N ATOM 8 CA ARG A 4 0.295 9.536 -8.248 1.00 0.00 C ATOM 9 C ARG A 4 0.900 8.177 -8.651 1.00 0.00 C ATOM 10 O ARG A 4 0.311 7.443 -9.442 1.00 0.00 O ATOM 11 CB ARG A 4 -1.244 9.646 -8.342 1.00 0.00 C ATOM 12 CG ARG A 4 -1.967 9.259 -9.646 1.00 0.00 C ATOM 13 CD ARG A 4 -1.398 9.881 -10.923 1.00 0.00 C ATOM 14 NE ARG A 4 -1.409 11.348 -10.865 1.00 0.00 N ATOM 15 CZ ARG A 4 -0.824 12.151 -11.768 1.00 0.00 C ATOM 16 NH1 ARG A 4 -0.137 11.640 -12.799 1.00 0.00 N ATOM 17 NH2 ARG A 4 -0.925 13.480 -11.635 1.00 0.00 N ATOM 18 H ARG A 4 0.732 11.585 -8.422 1.00 0.00 H ATOM 19 HA ARG A 4 0.482 9.650 -7.181 1.00 0.00 H ATOM 20 HB2 ARG A 4 -1.667 9.021 -7.556 1.00 0.00 H ATOM 21 HB3 ARG A 4 -1.515 10.676 -8.104 1.00 0.00 H ATOM 22 HG2 ARG A 4 -1.977 8.175 -9.759 1.00 0.00 H ATOM 23 HG3 ARG A 4 -3.007 9.575 -9.552 1.00 0.00 H ATOM 24 HD2 ARG A 4 -0.390 9.506 -11.086 1.00 0.00 H ATOM 25 HD3 ARG A 4 -2.017 9.564 -11.763 1.00 0.00 H ATOM 26 HE ARG A 4 -1.914 11.768 -10.098 1.00 0.00 H ATOM 27 HH11 ARG A 4 -0.051 10.639 -12.902 1.00 0.00 H ATOM 28 HH12 ARG A 4 0.302 12.251 -13.472 1.00 0.00 H ATOM 29 HH21 ARG A 4 -1.443 13.874 -10.863 1.00 0.00 H ATOM 30 HH22 ARG A 4 -0.486 14.092 -12.308 1.00 0.00 H ATOM 31 N PRO A 5 2.092 7.828 -8.130 1.00 0.00 N ATOM 32 CA PRO A 5 2.839 6.654 -8.557 1.00 0.00 C ATOM 33 C PRO A 5 2.326 5.398 -7.842 1.00 0.00 C ATOM 34 O PRO A 5 3.025 4.813 -7.017 1.00 0.00 O ATOM 35 CB PRO A 5 4.297 6.986 -8.222 1.00 0.00 C ATOM 36 CG PRO A 5 4.165 7.822 -6.950 1.00 0.00 C ATOM 37 CD PRO A 5 2.888 8.623 -7.205 1.00 0.00 C ATOM 38 HA PRO A 5 2.755 6.506 -9.636 1.00 0.00 H ATOM 39 HB2 PRO A 5 4.931 6.110 -8.088 1.00 0.00 H ATOM 40 HB3 PRO A 5 4.707 7.615 -9.014 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.022 7.164 -6.092 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.031 8.465 -6.788 1.00 0.00 H ATOM 43 HD2 PRO A 5 2.366 8.792 -6.262 1.00 0.00 H ATOM 44 HD3 PRO A 5 3.152 9.575 -7.666 1.00 0.00 H ATOM 45 N LEU A 6 1.094 4.989 -8.167 1.00 0.00 N ATOM 46 CA LEU A 6 0.486 3.753 -7.693 1.00 0.00 C ATOM 47 C LEU A 6 0.788 2.616 -8.669 1.00 0.00 C ATOM 48 O LEU A 6 1.187 1.537 -8.240 1.00 0.00 O ATOM 49 CB LEU A 6 -1.033 3.921 -7.526 1.00 0.00 C ATOM 50 CG LEU A 6 -1.496 4.781 -6.334 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.995 4.243 -4.988 1.00 0.00 C ATOM 52 CD2 LEU A 6 -1.133 6.262 -6.478 1.00 0.00 C ATOM 53 H LEU A 6 0.566 5.551 -8.822 1.00 0.00 H ATOM 54 HA LEU A 6 0.912 3.469 -6.731 1.00 0.00 H ATOM 55 HB2 LEU A 6 -1.452 4.333 -8.445 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.462 2.928 -7.384 1.00 0.00 H ATOM 57 HG LEU A 6 -2.586 4.721 -6.322 1.00 0.00 H ATOM 58 HD11 LEU A 6 -1.207 3.176 -4.911 1.00 0.00 H ATOM 59 HD12 LEU A 6 0.077 4.407 -4.881 1.00 0.00 H ATOM 60 HD13 LEU A 6 -1.507 4.763 -4.178 1.00 0.00 H ATOM 61 HD21 LEU A 6 -1.430 6.614 -7.466 1.00 0.00 H ATOM 62 HD22 LEU A 6 -1.667 6.840 -5.723 1.00 0.00 H ATOM 63 HD23 LEU A 6 -0.064 6.416 -6.336 1.00 0.00 H ATOM 64 N GLN A 7 0.560 2.859 -9.969 1.00 0.00 N ATOM 65 CA GLN A 7 0.577 1.873 -11.048 1.00 0.00 C ATOM 66 C GLN A 7 1.728 0.873 -10.950 1.00 0.00 C ATOM 67 O GLN A 7 1.470 -0.325 -10.907 1.00 0.00 O ATOM 68 CB GLN A 7 0.598 2.590 -12.404 1.00 0.00 C ATOM 69 CG GLN A 7 -0.766 3.193 -12.764 1.00 0.00 C ATOM 70 CD GLN A 7 -1.712 2.164 -13.386 1.00 0.00 C ATOM 71 OE1 GLN A 7 -1.694 1.981 -14.602 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.554 1.518 -12.568 1.00 0.00 N ATOM 73 H GLN A 7 0.252 3.787 -10.217 1.00 0.00 H ATOM 74 HA GLN A 7 -0.345 1.296 -10.979 1.00 0.00 H ATOM 75 HB2 GLN A 7 1.345 3.385 -12.370 1.00 0.00 H ATOM 76 HB3 GLN A 7 0.883 1.890 -13.191 1.00 0.00 H ATOM 77 HG2 GLN A 7 -1.228 3.657 -11.893 1.00 0.00 H ATOM 78 HG3 GLN A 7 -0.599 3.971 -13.510 1.00 0.00 H ATOM 79 HE21 GLN A 7 -2.513 1.704 -11.577 1.00 0.00 H ATOM 80 N TRP A 8 2.981 1.344 -10.917 1.00 0.00 N ATOM 81 CA TRP A 8 4.157 0.476 -10.866 1.00 0.00 C ATOM 82 C TRP A 8 4.044 -0.561 -9.739 1.00 0.00 C ATOM 83 O TRP A 8 4.335 -1.739 -9.941 1.00 0.00 O ATOM 84 CB TRP A 8 5.427 1.328 -10.715 1.00 0.00 C ATOM 85 CG TRP A 8 5.617 1.954 -9.367 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.065 3.114 -8.951 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.287 1.393 -8.197 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.328 3.304 -7.611 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.065 2.261 -7.089 1.00 0.00 C ATOM 90 CE3 TRP A 8 7.009 0.207 -7.947 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.531 1.964 -5.799 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.483 -0.101 -6.659 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.245 0.774 -5.586 1.00 0.00 C ATOM 94 H TRP A 8 3.129 2.341 -10.951 1.00 0.00 H ATOM 95 HA TRP A 8 4.220 -0.052 -11.819 1.00 0.00 H ATOM 96 HB2 TRP A 8 6.287 0.684 -10.905 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.426 2.109 -11.476 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.453 3.765 -9.558 1.00 0.00 H ATOM 99 HE1 TRP A 8 4.976 4.072 -7.054 1.00 0.00 H ATOM 100 HE3 TRP A 8 7.186 -0.479 -8.760 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.317 2.628 -4.975 1.00 0.00 H ATOM 102 HZ3 TRP A 8 8.024 -1.021 -6.491 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.599 0.522 -4.596 1.00 0.00 H ATOM 104 N LEU A 9 3.601 -0.111 -8.559 1.00 0.00 N ATOM 105 CA LEU A 9 3.448 -0.917 -7.360 1.00 0.00 C ATOM 106 C LEU A 9 2.294 -1.894 -7.576 1.00 0.00 C ATOM 107 O LEU A 9 2.455 -3.102 -7.430 1.00 0.00 O ATOM 108 CB LEU A 9 3.194 0.026 -6.165 1.00 0.00 C ATOM 109 CG LEU A 9 3.780 -0.468 -4.833 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.657 0.640 -3.781 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.059 -1.713 -4.319 1.00 0.00 C ATOM 112 H LEU A 9 3.328 0.860 -8.494 1.00 0.00 H ATOM 113 HA LEU A 9 4.376 -1.467 -7.195 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.669 0.984 -6.376 1.00 0.00 H ATOM 115 HB3 LEU A 9 2.126 0.210 -6.039 1.00 0.00 H ATOM 116 HG LEU A 9 4.837 -0.702 -4.967 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.179 1.536 -4.116 1.00 0.00 H ATOM 118 HD12 LEU A 9 2.607 0.883 -3.615 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.099 0.308 -2.841 1.00 0.00 H ATOM 120 HD21 LEU A 9 1.995 -1.508 -4.209 1.00 0.00 H ATOM 121 HD22 LEU A 9 3.201 -2.530 -5.018 1.00 0.00 H ATOM 122 HD23 LEU A 9 3.475 -2.004 -3.354 1.00 0.00 H ATOM 123 N ALA A 10 1.129 -1.350 -7.937 1.00 0.00 N ATOM 124 CA ALA A 10 -0.137 -2.055 -8.015 1.00 0.00 C ATOM 125 C ALA A 10 -0.120 -3.179 -9.056 1.00 0.00 C ATOM 126 O ALA A 10 -0.596 -4.279 -8.782 1.00 0.00 O ATOM 127 CB ALA A 10 -1.232 -1.019 -8.284 1.00 0.00 C ATOM 128 H ALA A 10 1.104 -0.350 -8.079 1.00 0.00 H ATOM 129 HA ALA A 10 -0.316 -2.501 -7.038 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.156 -0.210 -7.556 1.00 0.00 H ATOM 131 HB2 ALA A 10 -1.118 -0.602 -9.285 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.215 -1.470 -8.186 1.00 0.00 H ATOM 133 N GLU A 11 0.443 -2.912 -10.240 1.00 0.00 N ATOM 134 CA GLU A 11 0.622 -3.892 -11.302 1.00 0.00 C ATOM 135 C GLU A 11 1.390 -5.109 -10.785 1.00 0.00 C ATOM 136 O GLU A 11 0.906 -6.233 -10.896 1.00 0.00 O ATOM 137 CB GLU A 11 1.373 -3.255 -12.479 1.00 0.00 C ATOM 138 CG GLU A 11 0.490 -2.274 -13.258 1.00 0.00 C ATOM 139 CD GLU A 11 1.302 -1.527 -14.310 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.951 -0.528 -13.928 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.266 -1.970 -15.478 1.00 0.00 O ATOM 142 H GLU A 11 0.815 -1.987 -10.396 1.00 0.00 H ATOM 143 HA GLU A 11 -0.359 -4.223 -11.648 1.00 0.00 H ATOM 144 HB2 GLU A 11 2.260 -2.740 -12.108 1.00 0.00 H ATOM 145 HB3 GLU A 11 1.691 -4.040 -13.168 1.00 0.00 H ATOM 146 HG2 GLU A 11 -0.311 -2.827 -13.748 1.00 0.00 H ATOM 147 HG3 GLU A 11 0.043 -1.547 -12.583 1.00 0.00 H ATOM 148 N LYS A 12 2.586 -4.884 -10.230 1.00 0.00 N ATOM 149 CA LYS A 12 3.456 -5.949 -9.754 1.00 0.00 C ATOM 150 C LYS A 12 2.831 -6.709 -8.581 1.00 0.00 C ATOM 151 O LYS A 12 2.717 -7.933 -8.631 1.00 0.00 O ATOM 152 CB LYS A 12 4.816 -5.369 -9.347 1.00 0.00 C ATOM 153 CG LYS A 12 5.663 -4.972 -10.561 1.00 0.00 C ATOM 154 CD LYS A 12 7.098 -4.628 -10.140 1.00 0.00 C ATOM 155 CE LYS A 12 7.196 -3.280 -9.419 1.00 0.00 C ATOM 156 NZ LYS A 12 8.581 -3.000 -9.003 1.00 0.00 N ATOM 157 H LYS A 12 2.920 -3.933 -10.154 1.00 0.00 H ATOM 158 HA LYS A 12 3.614 -6.661 -10.565 1.00 0.00 H ATOM 159 HB2 LYS A 12 4.660 -4.498 -8.713 1.00 0.00 H ATOM 160 HB3 LYS A 12 5.357 -6.129 -8.781 1.00 0.00 H ATOM 161 HG2 LYS A 12 5.710 -5.821 -11.244 1.00 0.00 H ATOM 162 HG3 LYS A 12 5.209 -4.129 -11.083 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.479 -5.414 -9.487 1.00 0.00 H ATOM 164 HD3 LYS A 12 7.719 -4.586 -11.036 1.00 0.00 H ATOM 165 HE2 LYS A 12 6.868 -2.490 -10.095 1.00 0.00 H ATOM 166 HE3 LYS A 12 6.566 -3.277 -8.530 1.00 0.00 H ATOM 167 HZ1 LYS A 12 9.181 -2.980 -9.815 1.00 0.00 H ATOM 168 HZ2 LYS A 12 8.619 -2.106 -8.535 1.00 0.00 H ATOM 169 HZ3 LYS A 12 8.895 -3.722 -8.370 1.00 0.00 H ATOM 170 N TYR A 13 2.473 -5.989 -7.513 1.00 0.00 N ATOM 171 CA TYR A 13 2.062 -6.575 -6.247 1.00 0.00 C ATOM 172 C TYR A 13 0.607 -7.036 -6.305 1.00 0.00 C ATOM 173 O TYR A 13 0.333 -8.220 -6.114 1.00 0.00 O ATOM 174 CB TYR A 13 2.277 -5.574 -5.101 1.00 0.00 C ATOM 175 CG TYR A 13 3.719 -5.400 -4.648 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.674 -4.789 -5.485 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.094 -5.794 -3.348 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.980 -4.556 -5.022 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.405 -5.576 -2.891 1.00 0.00 C ATOM 180 CZ TYR A 13 6.348 -4.953 -3.726 1.00 0.00 C ATOM 181 OH TYR A 13 7.618 -4.732 -3.282 1.00 0.00 O ATOM 182 H TYR A 13 2.573 -4.984 -7.554 1.00 0.00 H ATOM 183 HA TYR A 13 2.682 -7.448 -6.037 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.867 -4.603 -5.379 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.699 -5.928 -4.246 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.416 -4.472 -6.480 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.376 -6.260 -2.689 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.699 -4.065 -5.662 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.681 -5.883 -1.892 1.00 0.00 H ATOM 190 HH TYR A 13 7.765 -5.039 -2.385 1.00 0.00 H ATOM 191 N PHE A 14 -0.330 -6.107 -6.535 1.00 0.00 N ATOM 192 CA PHE A 14 -1.755 -6.386 -6.396 1.00 0.00 C ATOM 193 C PHE A 14 -2.213 -7.327 -7.512 1.00 0.00 C ATOM 194 O PHE A 14 -2.899 -8.309 -7.233 1.00 0.00 O ATOM 195 CB PHE A 14 -2.585 -5.093 -6.341 1.00 0.00 C ATOM 196 CG PHE A 14 -2.122 -3.999 -5.384 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.202 -4.253 -4.345 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.585 -2.685 -5.584 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.645 -3.187 -3.617 1.00 0.00 C ATOM 200 CE2 PHE A 14 -2.035 -1.619 -4.850 1.00 0.00 C ATOM 201 CZ PHE A 14 -1.053 -1.868 -3.877 1.00 0.00 C ATOM 202 H PHE A 14 -0.051 -5.157 -6.739 1.00 0.00 H ATOM 203 HA PHE A 14 -1.908 -6.904 -5.447 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.614 -4.663 -7.341 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.607 -5.362 -6.073 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.899 -5.260 -4.100 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.342 -2.487 -6.329 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.102 -3.380 -2.862 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.350 -0.604 -5.047 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.620 -1.049 -3.322 1.00 0.00 H ATOM 211 N GLN A 15 -1.790 -7.061 -8.757 1.00 0.00 N ATOM 212 CA GLN A 15 -1.956 -7.989 -9.873 1.00 0.00 C ATOM 213 C GLN A 15 -0.643 -8.757 -10.083 1.00 0.00 C ATOM 214 O GLN A 15 -0.218 -8.983 -11.214 1.00 0.00 O ATOM 215 CB GLN A 15 -2.406 -7.245 -11.144 1.00 0.00 C ATOM 216 CG GLN A 15 -3.857 -6.747 -11.074 1.00 0.00 C ATOM 217 CD GLN A 15 -4.014 -5.470 -10.256 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.402 -5.524 -9.090 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.735 -4.321 -10.884 1.00 0.00 N ATOM 220 H GLN A 15 -1.233 -6.230 -8.912 1.00 0.00 H ATOM 221 HA GLN A 15 -2.719 -8.733 -9.645 1.00 0.00 H ATOM 222 HB2 GLN A 15 -1.733 -6.415 -11.361 1.00 0.00 H ATOM 223 HB3 GLN A 15 -2.367 -7.945 -11.979 1.00 0.00 H ATOM 224 HG2 GLN A 15 -4.199 -6.543 -12.089 1.00 0.00 H ATOM 225 HG3 GLN A 15 -4.493 -7.528 -10.657 1.00 0.00 H ATOM 226 HE21 GLN A 15 -3.429 -4.354 -11.845 1.00 0.00 H HETATM 227 N NH2 A 16 0.011 -9.174 -8.995 1.00 0.00 N HETATM 228 HN1 NH2 A 16 0.896 -9.648 -9.099 1.00 0.00 H HETATM 229 HN2 NH2 A 16 -0.347 -8.977 -8.070 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.857 -3.017 -10.253 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.090 -1.919 -11.297 1.00 0.00 C HETATM 233 C3 LNK A 17 -2.822 -1.611 -12.105 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.118 -0.765 -13.352 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.624 0.654 -13.051 1.00 0.00 C HETATM 236 H11 LNK A 17 -2.944 -2.818 -9.702 1.00 0.00 H HETATM 237 H12 LNK A 17 -4.702 -3.018 -9.562 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.895 -2.232 -11.964 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.403 -1.018 -10.770 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.098 -1.098 -11.472 1.00 0.00 H HETATM 241 H32 LNK A 17 -2.386 -2.550 -12.443 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.877 -1.282 -13.940 1.00 0.00 H HETATM 243 H42 LNK A 17 -2.214 -0.700 -13.959 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.036 1.075 -13.970 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.427 0.627 -12.316 1.00 0.00 H