HETATM 1 C ACE A 3 -0.028 11.612 -9.697 1.00 0.00 C HETATM 2 O ACE A 3 -0.255 12.028 -8.562 1.00 0.00 O HETATM 3 CH3 ACE A 3 0.203 12.590 -10.842 1.00 0.00 C HETATM 4 H1 ACE A 3 1.193 12.426 -11.269 1.00 0.00 H HETATM 5 H2 ACE A 3 -0.553 12.436 -11.612 1.00 0.00 H HETATM 6 H3 ACE A 3 0.138 13.615 -10.476 1.00 0.00 H ATOM 7 N ARG A 4 0.029 10.311 -10.005 1.00 0.00 N ATOM 8 CA ARG A 4 -0.169 9.235 -9.044 1.00 0.00 C ATOM 9 C ARG A 4 0.695 8.039 -9.458 1.00 0.00 C ATOM 10 O ARG A 4 0.200 7.135 -10.131 1.00 0.00 O ATOM 11 CB ARG A 4 -1.664 8.882 -8.974 1.00 0.00 C ATOM 12 CG ARG A 4 -1.948 7.835 -7.887 1.00 0.00 C ATOM 13 CD ARG A 4 -3.436 7.475 -7.827 1.00 0.00 C ATOM 14 NE ARG A 4 -4.267 8.639 -7.494 1.00 0.00 N ATOM 15 CZ ARG A 4 -4.413 9.169 -6.268 1.00 0.00 C ATOM 16 NH1 ARG A 4 -3.802 8.632 -5.202 1.00 0.00 N ATOM 17 NH2 ARG A 4 -5.179 10.257 -6.109 1.00 0.00 N ATOM 18 H ARG A 4 0.217 10.049 -10.962 1.00 0.00 H ATOM 19 HA ARG A 4 0.123 9.567 -8.048 1.00 0.00 H ATOM 20 HB2 ARG A 4 -2.220 9.791 -8.740 1.00 0.00 H ATOM 21 HB3 ARG A 4 -2.006 8.511 -9.941 1.00 0.00 H ATOM 22 HG2 ARG A 4 -1.396 6.921 -8.099 1.00 0.00 H ATOM 23 HG3 ARG A 4 -1.623 8.220 -6.920 1.00 0.00 H ATOM 24 HD2 ARG A 4 -3.747 7.096 -8.802 1.00 0.00 H ATOM 25 HD3 ARG A 4 -3.592 6.682 -7.094 1.00 0.00 H ATOM 26 HE ARG A 4 -4.748 9.080 -8.264 1.00 0.00 H ATOM 27 HH11 ARG A 4 -3.217 7.816 -5.313 1.00 0.00 H ATOM 28 HH12 ARG A 4 -3.919 9.043 -4.288 1.00 0.00 H ATOM 29 HH21 ARG A 4 -5.638 10.672 -6.907 1.00 0.00 H ATOM 30 HH22 ARG A 4 -5.295 10.668 -5.195 1.00 0.00 H ATOM 31 N PRO A 5 1.980 8.000 -9.062 1.00 0.00 N ATOM 32 CA PRO A 5 2.881 6.898 -9.365 1.00 0.00 C ATOM 33 C PRO A 5 2.670 5.759 -8.358 1.00 0.00 C ATOM 34 O PRO A 5 3.614 5.303 -7.717 1.00 0.00 O ATOM 35 CB PRO A 5 4.279 7.519 -9.281 1.00 0.00 C ATOM 36 CG PRO A 5 4.115 8.527 -8.145 1.00 0.00 C ATOM 37 CD PRO A 5 2.690 9.050 -8.347 1.00 0.00 C ATOM 38 HA PRO A 5 2.721 6.515 -10.374 1.00 0.00 H ATOM 39 HB2 PRO A 5 5.075 6.798 -9.094 1.00 0.00 H ATOM 40 HB3 PRO A 5 4.485 8.059 -10.206 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.184 8.002 -7.191 1.00 0.00 H ATOM 42 HG3 PRO A 5 4.860 9.322 -8.189 1.00 0.00 H ATOM 43 HD2 PRO A 5 2.239 9.262 -7.377 1.00 0.00 H ATOM 44 HD3 PRO A 5 2.713 9.953 -8.958 1.00 0.00 H ATOM 45 N LEU A 6 1.416 5.315 -8.213 1.00 0.00 N ATOM 46 CA LEU A 6 1.029 4.122 -7.474 1.00 0.00 C ATOM 47 C LEU A 6 0.998 2.904 -8.403 1.00 0.00 C ATOM 48 O LEU A 6 1.191 1.781 -7.946 1.00 0.00 O ATOM 49 CB LEU A 6 -0.339 4.371 -6.823 1.00 0.00 C ATOM 50 CG LEU A 6 -0.845 3.220 -5.936 1.00 0.00 C ATOM 51 CD1 LEU A 6 0.087 2.940 -4.749 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.236 3.582 -5.407 1.00 0.00 C ATOM 53 H LEU A 6 0.694 5.759 -8.763 1.00 0.00 H ATOM 54 HA LEU A 6 1.763 3.945 -6.689 1.00 0.00 H ATOM 55 HB2 LEU A 6 -0.274 5.275 -6.215 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.069 4.541 -7.615 1.00 0.00 H ATOM 57 HG LEU A 6 -0.943 2.311 -6.530 1.00 0.00 H ATOM 58 HD11 LEU A 6 0.236 3.848 -4.165 1.00 0.00 H ATOM 59 HD12 LEU A 6 -0.353 2.174 -4.109 1.00 0.00 H ATOM 60 HD13 LEU A 6 1.052 2.575 -5.095 1.00 0.00 H ATOM 61 HD21 LEU A 6 -2.915 3.752 -6.243 1.00 0.00 H ATOM 62 HD22 LEU A 6 -2.624 2.765 -4.798 1.00 0.00 H ATOM 63 HD23 LEU A 6 -2.182 4.486 -4.799 1.00 0.00 H ATOM 64 N GLN A 7 0.726 3.132 -9.697 1.00 0.00 N ATOM 65 CA GLN A 7 0.443 2.108 -10.695 1.00 0.00 C ATOM 66 C GLN A 7 1.473 0.979 -10.709 1.00 0.00 C ATOM 67 O GLN A 7 1.089 -0.186 -10.708 1.00 0.00 O ATOM 68 CB GLN A 7 0.306 2.742 -12.089 1.00 0.00 C ATOM 69 CG GLN A 7 -0.698 3.905 -12.140 1.00 0.00 C ATOM 70 CD GLN A 7 -2.023 3.553 -11.469 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.333 4.088 -10.405 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.779 2.635 -12.083 1.00 0.00 N ATOM 73 H GLN A 7 0.592 4.089 -9.984 1.00 0.00 H ATOM 74 HA GLN A 7 -0.512 1.655 -10.428 1.00 0.00 H ATOM 75 HB2 GLN A 7 1.278 3.109 -12.422 1.00 0.00 H ATOM 76 HB3 GLN A 7 -0.022 1.968 -12.784 1.00 0.00 H ATOM 77 HG2 GLN A 7 -0.271 4.780 -11.650 1.00 0.00 H ATOM 78 HG3 GLN A 7 -0.883 4.167 -13.183 1.00 0.00 H ATOM 79 HE21 GLN A 7 -2.449 2.245 -12.954 1.00 0.00 H ATOM 80 N TRP A 8 2.769 1.310 -10.702 1.00 0.00 N ATOM 81 CA TRP A 8 3.840 0.319 -10.665 1.00 0.00 C ATOM 82 C TRP A 8 3.674 -0.625 -9.464 1.00 0.00 C ATOM 83 O TRP A 8 3.802 -1.839 -9.606 1.00 0.00 O ATOM 84 CB TRP A 8 5.200 1.032 -10.644 1.00 0.00 C ATOM 85 CG TRP A 8 5.542 1.726 -9.361 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.177 2.982 -9.025 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.220 1.182 -8.189 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.555 3.248 -7.726 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.194 2.165 -7.157 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.818 -0.059 -7.876 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.727 1.928 -5.881 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.385 -0.295 -6.610 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.338 0.693 -5.612 1.00 0.00 C ATOM 94 H TRP A 8 3.025 2.287 -10.698 1.00 0.00 H ATOM 95 HA TRP A 8 3.785 -0.270 -11.582 1.00 0.00 H ATOM 96 HB2 TRP A 8 5.978 0.294 -10.834 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.232 1.757 -11.459 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.627 3.665 -9.656 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.358 4.110 -7.235 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.842 -0.840 -8.621 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.654 2.680 -5.110 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.858 -1.243 -6.404 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.762 0.499 -4.637 1.00 0.00 H ATOM 104 N LEU A 9 3.369 -0.052 -8.293 1.00 0.00 N ATOM 105 CA LEU A 9 3.189 -0.755 -7.031 1.00 0.00 C ATOM 106 C LEU A 9 1.914 -1.601 -7.079 1.00 0.00 C ATOM 107 O LEU A 9 1.870 -2.688 -6.514 1.00 0.00 O ATOM 108 CB LEU A 9 3.135 0.270 -5.885 1.00 0.00 C ATOM 109 CG LEU A 9 3.849 -0.179 -4.599 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.784 0.956 -3.571 1.00 0.00 C ATOM 111 CD2 LEU A 9 3.241 -1.441 -3.983 1.00 0.00 C ATOM 112 H LEU A 9 3.226 0.948 -8.278 1.00 0.00 H ATOM 113 HA LEU A 9 4.054 -1.403 -6.886 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.625 1.189 -6.209 1.00 0.00 H ATOM 115 HB3 LEU A 9 2.095 0.509 -5.659 1.00 0.00 H ATOM 116 HG LEU A 9 4.896 -0.378 -4.823 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.228 1.861 -3.987 1.00 0.00 H ATOM 118 HD12 LEU A 9 2.747 1.157 -3.302 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.338 0.675 -2.675 1.00 0.00 H ATOM 120 HD21 LEU A 9 2.163 -1.323 -3.874 1.00 0.00 H ATOM 121 HD22 LEU A 9 3.459 -2.301 -4.612 1.00 0.00 H ATOM 122 HD23 LEU A 9 3.686 -1.620 -3.004 1.00 0.00 H ATOM 123 N ALA A 10 0.870 -1.116 -7.759 1.00 0.00 N ATOM 124 CA ALA A 10 -0.357 -1.873 -7.935 1.00 0.00 C ATOM 125 C ALA A 10 -0.112 -3.112 -8.801 1.00 0.00 C ATOM 126 O ALA A 10 -0.511 -4.213 -8.428 1.00 0.00 O ATOM 127 CB ALA A 10 -1.446 -0.978 -8.529 1.00 0.00 C ATOM 128 H ALA A 10 0.939 -0.202 -8.189 1.00 0.00 H ATOM 129 HA ALA A 10 -0.700 -2.194 -6.953 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.591 -0.103 -7.894 1.00 0.00 H ATOM 131 HB2 ALA A 10 -1.164 -0.652 -9.528 1.00 0.00 H ATOM 132 HB3 ALA A 10 -2.382 -1.534 -8.587 1.00 0.00 H ATOM 133 N GLU A 11 0.537 -2.919 -9.955 1.00 0.00 N ATOM 134 CA GLU A 11 0.718 -3.922 -10.995 1.00 0.00 C ATOM 135 C GLU A 11 1.470 -5.155 -10.494 1.00 0.00 C ATOM 136 O GLU A 11 0.865 -6.214 -10.339 1.00 0.00 O ATOM 137 CB GLU A 11 1.419 -3.288 -12.203 1.00 0.00 C ATOM 138 CG GLU A 11 0.447 -2.404 -12.995 1.00 0.00 C ATOM 139 CD GLU A 11 1.187 -1.564 -14.029 1.00 0.00 C ATOM 140 OE1 GLU A 11 1.500 -2.127 -15.100 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.432 -0.374 -13.732 1.00 0.00 O ATOM 142 H GLU A 11 0.855 -1.983 -10.165 1.00 0.00 H ATOM 143 HA GLU A 11 -0.264 -4.254 -11.326 1.00 0.00 H ATOM 144 HB2 GLU A 11 2.271 -2.696 -11.865 1.00 0.00 H ATOM 145 HB3 GLU A 11 1.783 -4.072 -12.869 1.00 0.00 H ATOM 146 HG2 GLU A 11 -0.275 -3.042 -13.505 1.00 0.00 H ATOM 147 HG3 GLU A 11 -0.100 -1.743 -12.324 1.00 0.00 H ATOM 148 N LYS A 12 2.782 -5.037 -10.252 1.00 0.00 N ATOM 149 CA LYS A 12 3.641 -6.192 -9.986 1.00 0.00 C ATOM 150 C LYS A 12 3.541 -6.710 -8.542 1.00 0.00 C ATOM 151 O LYS A 12 4.512 -7.244 -8.008 1.00 0.00 O ATOM 152 CB LYS A 12 5.081 -5.877 -10.426 1.00 0.00 C ATOM 153 CG LYS A 12 5.789 -4.839 -9.541 1.00 0.00 C ATOM 154 CD LYS A 12 7.153 -4.410 -10.103 1.00 0.00 C ATOM 155 CE LYS A 12 7.075 -3.626 -11.419 1.00 0.00 C ATOM 156 NZ LYS A 12 6.245 -2.417 -11.293 1.00 0.00 N ATOM 157 H LYS A 12 3.219 -4.132 -10.355 1.00 0.00 H ATOM 158 HA LYS A 12 3.307 -7.008 -10.629 1.00 0.00 H ATOM 159 HB2 LYS A 12 5.667 -6.797 -10.421 1.00 0.00 H ATOM 160 HB3 LYS A 12 5.030 -5.515 -11.452 1.00 0.00 H ATOM 161 HG2 LYS A 12 5.157 -3.966 -9.398 1.00 0.00 H ATOM 162 HG3 LYS A 12 5.977 -5.282 -8.564 1.00 0.00 H ATOM 163 HD2 LYS A 12 7.642 -3.779 -9.359 1.00 0.00 H ATOM 164 HD3 LYS A 12 7.770 -5.297 -10.254 1.00 0.00 H ATOM 165 HE2 LYS A 12 8.083 -3.321 -11.700 1.00 0.00 H ATOM 166 HE3 LYS A 12 6.678 -4.252 -12.218 1.00 0.00 H ATOM 167 HZ1 LYS A 12 6.627 -1.823 -10.571 1.00 0.00 H ATOM 168 HZ2 LYS A 12 6.239 -1.916 -12.170 1.00 0.00 H ATOM 169 HZ3 LYS A 12 5.298 -2.671 -11.046 1.00 0.00 H ATOM 170 N TYR A 13 2.364 -6.572 -7.916 1.00 0.00 N ATOM 171 CA TYR A 13 2.083 -7.026 -6.563 1.00 0.00 C ATOM 172 C TYR A 13 0.642 -7.537 -6.492 1.00 0.00 C ATOM 173 O TYR A 13 0.420 -8.675 -6.083 1.00 0.00 O ATOM 174 CB TYR A 13 2.293 -5.891 -5.551 1.00 0.00 C ATOM 175 CG TYR A 13 3.720 -5.393 -5.386 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.279 -4.492 -6.315 1.00 0.00 C ATOM 177 CD2 TYR A 13 4.456 -5.749 -4.240 1.00 0.00 C ATOM 178 CE1 TYR A 13 5.548 -3.933 -6.086 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.730 -5.200 -4.017 1.00 0.00 C ATOM 180 CZ TYR A 13 6.273 -4.286 -4.936 1.00 0.00 C ATOM 181 OH TYR A 13 7.505 -3.745 -4.708 1.00 0.00 O ATOM 182 H TYR A 13 1.593 -6.170 -8.428 1.00 0.00 H ATOM 183 HA TYR A 13 2.745 -7.853 -6.299 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.652 -5.054 -5.820 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.953 -6.256 -4.582 1.00 0.00 H ATOM 186 HD1 TYR A 13 3.739 -4.223 -7.209 1.00 0.00 H ATOM 187 HD2 TYR A 13 4.041 -6.436 -3.517 1.00 0.00 H ATOM 188 HE1 TYR A 13 5.962 -3.233 -6.796 1.00 0.00 H ATOM 189 HE2 TYR A 13 6.290 -5.477 -3.136 1.00 0.00 H ATOM 190 HH TYR A 13 7.790 -3.147 -5.402 1.00 0.00 H ATOM 191 N PHE A 14 -0.330 -6.689 -6.860 1.00 0.00 N ATOM 192 CA PHE A 14 -1.753 -6.952 -6.675 1.00 0.00 C ATOM 193 C PHE A 14 -2.409 -7.283 -8.018 1.00 0.00 C ATOM 194 O PHE A 14 -2.930 -8.383 -8.197 1.00 0.00 O ATOM 195 CB PHE A 14 -2.429 -5.752 -5.986 1.00 0.00 C ATOM 196 CG PHE A 14 -1.656 -5.131 -4.831 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.002 -5.939 -3.882 1.00 0.00 C ATOM 198 CD2 PHE A 14 -1.549 -3.730 -4.738 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.181 -5.353 -2.902 1.00 0.00 C ATOM 200 CE2 PHE A 14 -0.709 -3.145 -3.775 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.016 -3.957 -2.863 1.00 0.00 C ATOM 202 H PHE A 14 -0.076 -5.774 -7.211 1.00 0.00 H ATOM 203 HA PHE A 14 -1.889 -7.814 -6.019 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.599 -4.972 -6.729 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.404 -6.070 -5.617 1.00 0.00 H ATOM 206 HD1 PHE A 14 -1.105 -7.014 -3.912 1.00 0.00 H ATOM 207 HD2 PHE A 14 -2.112 -3.097 -5.408 1.00 0.00 H ATOM 208 HE1 PHE A 14 0.335 -5.978 -2.187 1.00 0.00 H ATOM 209 HE2 PHE A 14 -0.599 -2.070 -3.735 1.00 0.00 H ATOM 210 HZ PHE A 14 0.634 -3.508 -2.126 1.00 0.00 H ATOM 211 N GLN A 15 -2.382 -6.331 -8.961 1.00 0.00 N ATOM 212 CA GLN A 15 -2.970 -6.468 -10.286 1.00 0.00 C ATOM 213 C GLN A 15 -1.972 -7.191 -11.200 1.00 0.00 C ATOM 214 O GLN A 15 -1.425 -6.609 -12.134 1.00 0.00 O ATOM 215 CB GLN A 15 -3.375 -5.077 -10.804 1.00 0.00 C ATOM 216 CG GLN A 15 -4.185 -5.161 -12.107 1.00 0.00 C ATOM 217 CD GLN A 15 -4.466 -3.791 -12.723 1.00 0.00 C ATOM 218 OE1 GLN A 15 -5.625 -3.439 -12.932 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.403 -3.043 -13.044 1.00 0.00 N ATOM 220 H GLN A 15 -1.899 -5.468 -8.756 1.00 0.00 H ATOM 221 HA GLN A 15 -3.879 -7.069 -10.217 1.00 0.00 H ATOM 222 HB2 GLN A 15 -3.996 -4.586 -10.053 1.00 0.00 H ATOM 223 HB3 GLN A 15 -2.481 -4.473 -10.949 1.00 0.00 H ATOM 224 HG2 GLN A 15 -3.653 -5.747 -12.855 1.00 0.00 H ATOM 225 HG3 GLN A 15 -5.132 -5.660 -11.898 1.00 0.00 H ATOM 226 HE21 GLN A 15 -2.483 -3.402 -12.834 1.00 0.00 H HETATM 227 N NH2 A 16 -1.730 -8.473 -10.922 1.00 0.00 N HETATM 228 HN1 NH2 A 16 -1.074 -8.995 -11.485 1.00 0.00 H HETATM 229 HN2 NH2 A 16 -2.186 -8.905 -10.129 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.478 -1.793 -13.788 1.00 0.00 C HETATM 232 C2 LNK A 17 -4.054 -0.651 -12.941 1.00 0.00 C HETATM 233 C3 LNK A 17 -3.163 -0.309 -11.741 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.790 0.772 -10.846 1.00 0.00 C HETATM 235 C5 LNK A 17 -4.029 2.114 -11.550 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.106 -1.935 -14.668 1.00 0.00 H HETATM 237 H12 LNK A 17 -2.476 -1.519 -14.121 1.00 0.00 H HETATM 238 H21 LNK A 17 -4.133 0.221 -13.590 1.00 0.00 H HETATM 239 H22 LNK A 17 -5.053 -0.914 -12.593 1.00 0.00 H HETATM 240 H31 LNK A 17 -3.029 -1.206 -11.136 1.00 0.00 H HETATM 241 H32 LNK A 17 -2.184 0.018 -12.092 1.00 0.00 H HETATM 242 H41 LNK A 17 -3.129 0.944 -9.995 1.00 0.00 H HETATM 243 H42 LNK A 17 -4.744 0.404 -10.465 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.744 1.992 -12.364 1.00 0.00 H HETATM 245 H52 LNK A 17 -4.464 2.813 -10.835 1.00 0.00 H