HETATM 1 C ACE A 3 1.392 10.729 -6.353 1.00 0.00 C HETATM 2 O ACE A 3 0.410 10.536 -7.067 1.00 0.00 O HETATM 3 CH3 ACE A 3 2.106 12.075 -6.374 1.00 0.00 C HETATM 4 H1 ACE A 3 1.459 12.832 -6.820 1.00 0.00 H HETATM 5 H2 ACE A 3 2.362 12.373 -5.356 1.00 0.00 H HETATM 6 H3 ACE A 3 3.019 11.986 -6.963 1.00 0.00 H ATOM 7 N ARG A 4 1.904 9.808 -5.529 1.00 0.00 N ATOM 8 CA ARG A 4 1.401 8.448 -5.378 1.00 0.00 C ATOM 9 C ARG A 4 1.341 7.718 -6.729 1.00 0.00 C ATOM 10 O ARG A 4 0.251 7.394 -7.201 1.00 0.00 O ATOM 11 CB ARG A 4 0.043 8.450 -4.652 1.00 0.00 C ATOM 12 CG ARG A 4 0.118 9.158 -3.293 1.00 0.00 C ATOM 13 CD ARG A 4 -1.217 9.083 -2.544 1.00 0.00 C ATOM 14 NE ARG A 4 -1.524 7.715 -2.100 1.00 0.00 N ATOM 15 CZ ARG A 4 -2.678 7.344 -1.519 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.669 8.230 -1.344 1.00 0.00 N ATOM 17 NH2 ARG A 4 -2.839 6.078 -1.109 1.00 0.00 N ATOM 18 H ARG A 4 2.707 10.064 -4.973 1.00 0.00 H ATOM 19 HA ARG A 4 2.097 7.908 -4.735 1.00 0.00 H ATOM 20 HB2 ARG A 4 -0.713 8.939 -5.270 1.00 0.00 H ATOM 21 HB3 ARG A 4 -0.258 7.416 -4.487 1.00 0.00 H ATOM 22 HG2 ARG A 4 0.901 8.707 -2.682 1.00 0.00 H ATOM 23 HG3 ARG A 4 0.356 10.211 -3.448 1.00 0.00 H ATOM 24 HD2 ARG A 4 -1.150 9.725 -1.665 1.00 0.00 H ATOM 25 HD3 ARG A 4 -2.011 9.452 -3.195 1.00 0.00 H ATOM 26 HE ARG A 4 -0.801 7.020 -2.222 1.00 0.00 H ATOM 27 HH11 ARG A 4 -3.550 9.184 -1.650 1.00 0.00 H ATOM 28 HH12 ARG A 4 -4.534 7.948 -0.904 1.00 0.00 H ATOM 29 HH21 ARG A 4 -2.087 5.412 -1.219 1.00 0.00 H ATOM 30 HH22 ARG A 4 -3.707 5.786 -0.681 1.00 0.00 H ATOM 31 N PRO A 5 2.496 7.434 -7.359 1.00 0.00 N ATOM 32 CA PRO A 5 2.576 6.656 -8.586 1.00 0.00 C ATOM 33 C PRO A 5 2.397 5.172 -8.252 1.00 0.00 C ATOM 34 O PRO A 5 3.347 4.394 -8.292 1.00 0.00 O ATOM 35 CB PRO A 5 3.957 6.983 -9.161 1.00 0.00 C ATOM 36 CG PRO A 5 4.803 7.180 -7.902 1.00 0.00 C ATOM 37 CD PRO A 5 3.825 7.856 -6.940 1.00 0.00 C ATOM 38 HA PRO A 5 1.811 6.951 -9.306 1.00 0.00 H ATOM 39 HB2 PRO A 5 4.349 6.208 -9.822 1.00 0.00 H ATOM 40 HB3 PRO A 5 3.900 7.931 -9.697 1.00 0.00 H ATOM 41 HG2 PRO A 5 5.097 6.210 -7.502 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.688 7.791 -8.089 1.00 0.00 H ATOM 43 HD2 PRO A 5 4.046 7.560 -5.914 1.00 0.00 H ATOM 44 HD3 PRO A 5 3.915 8.938 -7.046 1.00 0.00 H ATOM 45 N LEU A 6 1.160 4.784 -7.923 1.00 0.00 N ATOM 46 CA LEU A 6 0.811 3.424 -7.536 1.00 0.00 C ATOM 47 C LEU A 6 0.571 2.521 -8.753 1.00 0.00 C ATOM 48 O LEU A 6 0.114 1.396 -8.579 1.00 0.00 O ATOM 49 CB LEU A 6 -0.433 3.441 -6.631 1.00 0.00 C ATOM 50 CG LEU A 6 -0.310 4.308 -5.364 1.00 0.00 C ATOM 51 CD1 LEU A 6 -1.622 4.242 -4.572 1.00 0.00 C ATOM 52 CD2 LEU A 6 0.843 3.869 -4.455 1.00 0.00 C ATOM 53 H LEU A 6 0.430 5.484 -7.892 1.00 0.00 H ATOM 54 HA LEU A 6 1.638 2.993 -6.972 1.00 0.00 H ATOM 55 HB2 LEU A 6 -1.273 3.815 -7.219 1.00 0.00 H ATOM 56 HB3 LEU A 6 -0.659 2.419 -6.324 1.00 0.00 H ATOM 57 HG LEU A 6 -0.146 5.344 -5.655 1.00 0.00 H ATOM 58 HD11 LEU A 6 -2.447 4.609 -5.183 1.00 0.00 H ATOM 59 HD12 LEU A 6 -1.830 3.214 -4.275 1.00 0.00 H ATOM 60 HD13 LEU A 6 -1.549 4.862 -3.678 1.00 0.00 H ATOM 61 HD21 LEU A 6 0.732 2.817 -4.189 1.00 0.00 H ATOM 62 HD22 LEU A 6 1.799 4.020 -4.955 1.00 0.00 H ATOM 63 HD23 LEU A 6 0.839 4.467 -3.543 1.00 0.00 H ATOM 64 N GLN A 7 0.863 2.981 -9.977 1.00 0.00 N ATOM 65 CA GLN A 7 0.659 2.191 -11.185 1.00 0.00 C ATOM 66 C GLN A 7 1.589 0.980 -11.212 1.00 0.00 C ATOM 67 O GLN A 7 1.114 -0.155 -11.219 1.00 0.00 O ATOM 68 CB GLN A 7 0.844 3.067 -12.434 1.00 0.00 C ATOM 69 CG GLN A 7 -0.376 3.967 -12.688 1.00 0.00 C ATOM 70 CD GLN A 7 -1.667 3.162 -12.855 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.666 3.455 -12.202 1.00 0.00 O ATOM 72 NE2 GLN A 7 -1.624 2.113 -13.688 1.00 0.00 N ATOM 73 H GLN A 7 1.219 3.919 -10.082 1.00 0.00 H ATOM 74 HA GLN A 7 -0.355 1.792 -11.163 1.00 0.00 H ATOM 75 HB2 GLN A 7 1.735 3.686 -12.323 1.00 0.00 H ATOM 76 HB3 GLN A 7 0.993 2.422 -13.301 1.00 0.00 H ATOM 77 HG2 GLN A 7 -0.492 4.651 -11.846 1.00 0.00 H ATOM 78 HG3 GLN A 7 -0.205 4.560 -13.588 1.00 0.00 H ATOM 79 HE21 GLN A 7 -0.777 1.922 -14.201 1.00 0.00 H ATOM 80 N TRP A 8 2.906 1.219 -11.214 1.00 0.00 N ATOM 81 CA TRP A 8 3.904 0.155 -11.185 1.00 0.00 C ATOM 82 C TRP A 8 3.706 -0.726 -9.945 1.00 0.00 C ATOM 83 O TRP A 8 3.854 -1.944 -10.011 1.00 0.00 O ATOM 84 CB TRP A 8 5.318 0.761 -11.216 1.00 0.00 C ATOM 85 CG TRP A 8 5.756 1.444 -9.955 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.600 2.756 -9.670 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.328 0.841 -8.755 1.00 0.00 C ATOM 88 NE1 TRP A 8 6.013 3.007 -8.377 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.453 1.853 -7.759 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.707 -0.470 -8.391 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.924 1.575 -6.467 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.157 -0.762 -7.090 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.277 0.259 -6.133 1.00 0.00 C ATOM 94 H TRP A 8 3.229 2.176 -11.185 1.00 0.00 H ATOM 95 HA TRP A 8 3.780 -0.454 -12.082 1.00 0.00 H ATOM 96 HB2 TRP A 8 6.026 -0.047 -11.405 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.389 1.464 -12.047 1.00 0.00 H ATOM 98 HD1 TRP A 8 5.170 3.489 -10.337 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.972 3.903 -7.913 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.622 -1.268 -9.114 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.980 2.357 -5.726 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.386 -1.781 -6.814 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.623 0.024 -5.137 1.00 0.00 H ATOM 104 N LEU A 9 3.372 -0.086 -8.817 1.00 0.00 N ATOM 105 CA LEU A 9 3.252 -0.693 -7.502 1.00 0.00 C ATOM 106 C LEU A 9 2.102 -1.701 -7.503 1.00 0.00 C ATOM 107 O LEU A 9 2.277 -2.852 -7.105 1.00 0.00 O ATOM 108 CB LEU A 9 3.081 0.441 -6.467 1.00 0.00 C ATOM 109 CG LEU A 9 3.640 0.111 -5.074 1.00 0.00 C ATOM 110 CD1 LEU A 9 4.014 1.392 -4.319 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.609 -0.628 -4.227 1.00 0.00 C ATOM 112 H LEU A 9 3.256 0.915 -8.869 1.00 0.00 H ATOM 113 HA LEU A 9 4.178 -1.231 -7.300 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.640 1.304 -6.827 1.00 0.00 H ATOM 115 HB3 LEU A 9 2.032 0.734 -6.385 1.00 0.00 H ATOM 116 HG LEU A 9 4.537 -0.500 -5.172 1.00 0.00 H ATOM 117 HD11 LEU A 9 3.139 2.027 -4.191 1.00 0.00 H ATOM 118 HD12 LEU A 9 4.410 1.132 -3.337 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.769 1.948 -4.868 1.00 0.00 H ATOM 120 HD21 LEU A 9 2.181 -1.446 -4.796 1.00 0.00 H ATOM 121 HD22 LEU A 9 3.100 -1.009 -3.331 1.00 0.00 H ATOM 122 HD23 LEU A 9 1.812 0.058 -3.946 1.00 0.00 H ATOM 123 N ALA A 10 0.934 -1.267 -7.987 1.00 0.00 N ATOM 124 CA ALA A 10 -0.254 -2.094 -8.085 1.00 0.00 C ATOM 125 C ALA A 10 -0.056 -3.217 -9.095 1.00 0.00 C ATOM 126 O ALA A 10 -0.397 -4.362 -8.805 1.00 0.00 O ATOM 127 CB ALA A 10 -1.464 -1.234 -8.459 1.00 0.00 C ATOM 128 H ALA A 10 0.870 -0.315 -8.322 1.00 0.00 H ATOM 129 HA ALA A 10 -0.425 -2.538 -7.108 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.608 -0.453 -7.711 1.00 0.00 H ATOM 131 HB2 ALA A 10 -1.305 -0.776 -9.436 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.359 -1.855 -8.502 1.00 0.00 H ATOM 133 N GLU A 11 0.501 -2.893 -10.268 1.00 0.00 N ATOM 134 CA GLU A 11 0.785 -3.867 -11.312 1.00 0.00 C ATOM 135 C GLU A 11 1.657 -4.999 -10.763 1.00 0.00 C ATOM 136 O GLU A 11 1.386 -6.169 -11.022 1.00 0.00 O ATOM 137 CB GLU A 11 1.449 -3.167 -12.509 1.00 0.00 C ATOM 138 CG GLU A 11 1.666 -4.096 -13.713 1.00 0.00 C ATOM 139 CD GLU A 11 0.355 -4.646 -14.270 1.00 0.00 C ATOM 140 OE1 GLU A 11 -0.283 -3.911 -15.052 1.00 0.00 O ATOM 141 OE2 GLU A 11 0.012 -5.793 -13.903 1.00 0.00 O ATOM 142 H GLU A 11 0.758 -1.929 -10.440 1.00 0.00 H ATOM 143 HA GLU A 11 -0.171 -4.273 -11.638 1.00 0.00 H ATOM 144 HB2 GLU A 11 0.819 -2.339 -12.833 1.00 0.00 H ATOM 145 HB3 GLU A 11 2.415 -2.767 -12.199 1.00 0.00 H ATOM 146 HG2 GLU A 11 2.155 -3.523 -14.502 1.00 0.00 H ATOM 147 HG3 GLU A 11 2.323 -4.923 -13.441 1.00 0.00 H ATOM 148 N LYS A 12 2.695 -4.643 -9.996 1.00 0.00 N ATOM 149 CA LYS A 12 3.662 -5.584 -9.457 1.00 0.00 C ATOM 150 C LYS A 12 3.029 -6.501 -8.406 1.00 0.00 C ATOM 151 O LYS A 12 3.080 -7.721 -8.554 1.00 0.00 O ATOM 152 CB LYS A 12 4.857 -4.805 -8.889 1.00 0.00 C ATOM 153 CG LYS A 12 5.982 -5.730 -8.414 1.00 0.00 C ATOM 154 CD LYS A 12 7.140 -4.884 -7.877 1.00 0.00 C ATOM 155 CE LYS A 12 8.273 -5.793 -7.394 1.00 0.00 C ATOM 156 NZ LYS A 12 9.394 -5.006 -6.856 1.00 0.00 N ATOM 157 H LYS A 12 2.852 -3.659 -9.816 1.00 0.00 H ATOM 158 HA LYS A 12 4.026 -6.197 -10.284 1.00 0.00 H ATOM 159 HB2 LYS A 12 5.256 -4.159 -9.672 1.00 0.00 H ATOM 160 HB3 LYS A 12 4.530 -4.183 -8.055 1.00 0.00 H ATOM 161 HG2 LYS A 12 5.620 -6.383 -7.619 1.00 0.00 H ATOM 162 HG3 LYS A 12 6.334 -6.341 -9.247 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.512 -4.229 -8.666 1.00 0.00 H ATOM 164 HD3 LYS A 12 6.781 -4.268 -7.053 1.00 0.00 H ATOM 165 HE2 LYS A 12 7.905 -6.459 -6.613 1.00 0.00 H ATOM 166 HE3 LYS A 12 8.635 -6.394 -8.229 1.00 0.00 H ATOM 167 HZ1 LYS A 12 9.727 -4.369 -7.565 1.00 0.00 H ATOM 168 HZ2 LYS A 12 9.080 -4.484 -6.049 1.00 0.00 H ATOM 169 HZ3 LYS A 12 10.142 -5.629 -6.585 1.00 0.00 H ATOM 170 N TYR A 13 2.478 -5.922 -7.330 1.00 0.00 N ATOM 171 CA TYR A 13 2.037 -6.680 -6.163 1.00 0.00 C ATOM 172 C TYR A 13 0.580 -7.118 -6.288 1.00 0.00 C ATOM 173 O TYR A 13 0.289 -8.312 -6.225 1.00 0.00 O ATOM 174 CB TYR A 13 2.254 -5.861 -4.885 1.00 0.00 C ATOM 175 CG TYR A 13 3.688 -5.420 -4.670 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.712 -6.375 -4.534 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.001 -4.053 -4.605 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.047 -5.958 -4.388 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.332 -3.633 -4.449 1.00 0.00 C ATOM 180 CZ TYR A 13 6.358 -4.588 -4.362 1.00 0.00 C ATOM 181 OH TYR A 13 7.656 -4.181 -4.262 1.00 0.00 O ATOM 182 H TYR A 13 2.460 -4.912 -7.272 1.00 0.00 H ATOM 183 HA TYR A 13 2.644 -7.581 -6.071 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.608 -4.982 -4.911 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.960 -6.467 -4.026 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.474 -7.429 -4.543 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.214 -3.325 -4.668 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.830 -6.695 -4.298 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.560 -2.579 -4.395 1.00 0.00 H ATOM 190 HH TYR A 13 7.746 -3.225 -4.261 1.00 0.00 H ATOM 191 N PHE A 14 -0.340 -6.158 -6.436 1.00 0.00 N ATOM 192 CA PHE A 14 -1.773 -6.417 -6.354 1.00 0.00 C ATOM 193 C PHE A 14 -2.239 -7.232 -7.564 1.00 0.00 C ATOM 194 O PHE A 14 -3.056 -8.137 -7.409 1.00 0.00 O ATOM 195 CB PHE A 14 -2.548 -5.098 -6.188 1.00 0.00 C ATOM 196 CG PHE A 14 -2.037 -4.148 -5.109 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.325 -4.626 -3.988 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.217 -2.760 -5.265 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.728 -3.725 -3.089 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.575 -1.859 -4.395 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.835 -2.342 -3.304 1.00 0.00 C ATOM 202 H PHE A 14 -0.042 -5.198 -6.529 1.00 0.00 H ATOM 203 HA PHE A 14 -1.964 -7.026 -5.469 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.528 -4.572 -7.144 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.588 -5.340 -5.961 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.208 -5.684 -3.809 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.810 -2.377 -6.082 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.179 -4.098 -2.236 1.00 0.00 H ATOM 209 HE2 PHE A 14 -1.643 -0.794 -4.569 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.365 -1.654 -2.616 1.00 0.00 H ATOM 211 N GLN A 15 -1.676 -6.944 -8.746 1.00 0.00 N ATOM 212 CA GLN A 15 -1.828 -7.754 -9.950 1.00 0.00 C ATOM 213 C GLN A 15 -0.528 -8.519 -10.231 1.00 0.00 C ATOM 214 O GLN A 15 -0.182 -8.758 -11.386 1.00 0.00 O ATOM 215 CB GLN A 15 -2.214 -6.863 -11.139 1.00 0.00 C ATOM 216 CG GLN A 15 -3.558 -6.163 -10.920 1.00 0.00 C ATOM 217 CD GLN A 15 -3.972 -5.376 -12.159 1.00 0.00 C ATOM 218 OE1 GLN A 15 -4.845 -5.814 -12.906 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.342 -4.215 -12.376 1.00 0.00 N ATOM 220 H GLN A 15 -1.024 -6.171 -8.789 1.00 0.00 H ATOM 221 HA GLN A 15 -2.619 -8.493 -9.819 1.00 0.00 H ATOM 222 HB2 GLN A 15 -1.436 -6.120 -11.306 1.00 0.00 H ATOM 223 HB3 GLN A 15 -2.302 -7.481 -12.034 1.00 0.00 H ATOM 224 HG2 GLN A 15 -4.315 -6.921 -10.716 1.00 0.00 H ATOM 225 HG3 GLN A 15 -3.499 -5.488 -10.066 1.00 0.00 H ATOM 226 HE21 GLN A 15 -2.636 -3.914 -11.721 1.00 0.00 H HETATM 227 N NH2 A 16 0.204 -8.916 -9.186 1.00 0.00 N HETATM 228 HN1 NH2 A 16 -0.081 -8.700 -8.241 1.00 0.00 H HETATM 229 HN2 NH2 A 16 1.073 -9.403 -9.350 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.602 -3.382 -13.540 1.00 0.00 C HETATM 232 C2 LNK A 17 -2.819 -2.072 -13.450 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.082 -1.237 -14.711 1.00 0.00 C HETATM 234 C4 LNK A 17 -2.215 0.024 -14.766 1.00 0.00 C HETATM 235 C5 LNK A 17 -2.660 1.101 -13.770 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.666 -3.150 -13.602 1.00 0.00 H HETATM 237 H12 LNK A 17 -3.293 -3.917 -14.438 1.00 0.00 H HETATM 238 H21 LNK A 17 -3.136 -1.532 -12.557 1.00 0.00 H HETATM 239 H22 LNK A 17 -1.755 -2.297 -13.375 1.00 0.00 H HETATM 240 H31 LNK A 17 -2.834 -1.846 -15.582 1.00 0.00 H HETATM 241 H32 LNK A 17 -4.137 -0.963 -14.766 1.00 0.00 H HETATM 242 H41 LNK A 17 -2.271 0.446 -15.771 1.00 0.00 H HETATM 243 H42 LNK A 17 -1.179 -0.259 -14.571 1.00 0.00 H HETATM 244 H51 LNK A 17 -3.600 1.547 -14.097 1.00 0.00 H HETATM 245 H52 LNK A 17 -2.792 0.670 -12.779 1.00 0.00 H