HETATM 1 C ACE A 3 0.773 11.698 -7.608 1.00 0.00 C HETATM 2 O ACE A 3 1.004 11.786 -6.403 1.00 0.00 O HETATM 3 CH3 ACE A 3 1.046 12.880 -8.529 1.00 0.00 C HETATM 4 H1 ACE A 3 1.462 13.709 -7.955 1.00 0.00 H HETATM 5 H2 ACE A 3 1.759 12.585 -9.299 1.00 0.00 H HETATM 6 H3 ACE A 3 0.117 13.202 -9.000 1.00 0.00 H ATOM 7 N ARG A 4 0.287 10.593 -8.186 1.00 0.00 N ATOM 8 CA ARG A 4 0.005 9.351 -7.479 1.00 0.00 C ATOM 9 C ARG A 4 0.626 8.183 -8.252 1.00 0.00 C ATOM 10 O ARG A 4 -0.095 7.463 -8.943 1.00 0.00 O ATOM 11 CB ARG A 4 -1.514 9.179 -7.319 1.00 0.00 C ATOM 12 CG ARG A 4 -2.108 10.253 -6.396 1.00 0.00 C ATOM 13 CD ARG A 4 -3.589 9.989 -6.111 1.00 0.00 C ATOM 14 NE ARG A 4 -4.401 10.072 -7.332 1.00 0.00 N ATOM 15 CZ ARG A 4 -5.725 9.857 -7.386 1.00 0.00 C ATOM 16 NH1 ARG A 4 -6.416 9.534 -6.283 1.00 0.00 N ATOM 17 NH2 ARG A 4 -6.365 9.966 -8.558 1.00 0.00 N ATOM 18 H ARG A 4 0.119 10.604 -9.182 1.00 0.00 H ATOM 19 HA ARG A 4 0.431 9.363 -6.476 1.00 0.00 H ATOM 20 HB2 ARG A 4 -1.994 9.227 -8.298 1.00 0.00 H ATOM 21 HB3 ARG A 4 -1.710 8.200 -6.879 1.00 0.00 H ATOM 22 HG2 ARG A 4 -1.569 10.246 -5.448 1.00 0.00 H ATOM 23 HG3 ARG A 4 -2.002 11.238 -6.852 1.00 0.00 H ATOM 24 HD2 ARG A 4 -3.697 9.001 -5.662 1.00 0.00 H ATOM 25 HD3 ARG A 4 -3.942 10.740 -5.401 1.00 0.00 H ATOM 26 HE ARG A 4 -3.917 10.318 -8.184 1.00 0.00 H ATOM 27 HH11 ARG A 4 -5.942 9.451 -5.395 1.00 0.00 H ATOM 28 HH12 ARG A 4 -7.411 9.375 -6.336 1.00 0.00 H ATOM 29 HH21 ARG A 4 -5.852 10.210 -9.393 1.00 0.00 H ATOM 30 HH22 ARG A 4 -7.361 9.808 -8.610 1.00 0.00 H ATOM 31 N PRO A 5 1.952 7.975 -8.152 1.00 0.00 N ATOM 32 CA PRO A 5 2.651 6.899 -8.842 1.00 0.00 C ATOM 33 C PRO A 5 2.453 5.576 -8.093 1.00 0.00 C ATOM 34 O PRO A 5 3.393 5.025 -7.526 1.00 0.00 O ATOM 35 CB PRO A 5 4.114 7.353 -8.879 1.00 0.00 C ATOM 36 CG PRO A 5 4.257 8.126 -7.568 1.00 0.00 C ATOM 37 CD PRO A 5 2.899 8.817 -7.435 1.00 0.00 C ATOM 38 HA PRO A 5 2.290 6.789 -9.866 1.00 0.00 H ATOM 39 HB2 PRO A 5 4.827 6.532 -8.967 1.00 0.00 H ATOM 40 HB3 PRO A 5 4.249 8.046 -9.710 1.00 0.00 H ATOM 41 HG2 PRO A 5 4.393 7.427 -6.741 1.00 0.00 H ATOM 42 HG3 PRO A 5 5.084 8.837 -7.596 1.00 0.00 H ATOM 43 HD2 PRO A 5 2.643 8.925 -6.381 1.00 0.00 H ATOM 44 HD3 PRO A 5 2.950 9.796 -7.913 1.00 0.00 H ATOM 45 N LEU A 6 1.212 5.075 -8.088 1.00 0.00 N ATOM 46 CA LEU A 6 0.832 3.790 -7.515 1.00 0.00 C ATOM 47 C LEU A 6 0.919 2.667 -8.556 1.00 0.00 C ATOM 48 O LEU A 6 1.116 1.511 -8.192 1.00 0.00 O ATOM 49 CB LEU A 6 -0.587 3.916 -6.938 1.00 0.00 C ATOM 50 CG LEU A 6 -1.073 2.677 -6.166 1.00 0.00 C ATOM 51 CD1 LEU A 6 -0.200 2.380 -4.939 1.00 0.00 C ATOM 52 CD2 LEU A 6 -2.516 2.910 -5.710 1.00 0.00 C ATOM 53 H LEU A 6 0.484 5.612 -8.540 1.00 0.00 H ATOM 54 HA LEU A 6 1.518 3.561 -6.700 1.00 0.00 H ATOM 55 HB2 LEU A 6 -0.613 4.774 -6.264 1.00 0.00 H ATOM 56 HB3 LEU A 6 -1.277 4.109 -7.761 1.00 0.00 H ATOM 57 HG LEU A 6 -1.074 1.807 -6.822 1.00 0.00 H ATOM 58 HD11 LEU A 6 -0.123 3.265 -4.307 1.00 0.00 H ATOM 59 HD12 LEU A 6 -0.638 1.566 -4.361 1.00 0.00 H ATOM 60 HD13 LEU A 6 0.799 2.075 -5.245 1.00 0.00 H ATOM 61 HD21 LEU A 6 -3.145 3.112 -6.577 1.00 0.00 H ATOM 62 HD22 LEU A 6 -2.890 2.020 -5.204 1.00 0.00 H ATOM 63 HD23 LEU A 6 -2.560 3.758 -5.027 1.00 0.00 H ATOM 64 N GLN A 7 0.741 3.006 -9.841 1.00 0.00 N ATOM 65 CA GLN A 7 0.576 2.070 -10.948 1.00 0.00 C ATOM 66 C GLN A 7 1.611 0.943 -10.962 1.00 0.00 C ATOM 67 O GLN A 7 1.229 -0.223 -11.011 1.00 0.00 O ATOM 68 CB GLN A 7 0.584 2.828 -12.285 1.00 0.00 C ATOM 69 CG GLN A 7 -0.525 3.886 -12.395 1.00 0.00 C ATOM 70 CD GLN A 7 -1.901 3.310 -12.071 1.00 0.00 C ATOM 71 OE1 GLN A 7 -2.526 3.716 -11.093 1.00 0.00 O ATOM 72 NE2 GLN A 7 -2.347 2.338 -12.875 1.00 0.00 N ATOM 73 H GLN A 7 0.599 3.982 -10.052 1.00 0.00 H ATOM 74 HA GLN A 7 -0.395 1.590 -10.822 1.00 0.00 H ATOM 75 HB2 GLN A 7 1.548 3.320 -12.419 1.00 0.00 H ATOM 76 HB3 GLN A 7 0.456 2.104 -13.091 1.00 0.00 H ATOM 77 HG2 GLN A 7 -0.314 4.714 -11.718 1.00 0.00 H ATOM 78 HG3 GLN A 7 -0.536 4.280 -13.412 1.00 0.00 H ATOM 79 HE21 GLN A 7 -1.775 2.047 -13.654 1.00 0.00 H ATOM 80 N TRP A 8 2.905 1.282 -10.921 1.00 0.00 N ATOM 81 CA TRP A 8 3.993 0.307 -10.914 1.00 0.00 C ATOM 82 C TRP A 8 3.837 -0.693 -9.759 1.00 0.00 C ATOM 83 O TRP A 8 4.057 -1.889 -9.934 1.00 0.00 O ATOM 84 CB TRP A 8 5.340 1.043 -10.829 1.00 0.00 C ATOM 85 CG TRP A 8 5.614 1.710 -9.515 1.00 0.00 C ATOM 86 CD1 TRP A 8 5.176 2.934 -9.153 1.00 0.00 C ATOM 87 CD2 TRP A 8 6.249 1.148 -8.327 1.00 0.00 C ATOM 88 NE1 TRP A 8 5.470 3.163 -7.826 1.00 0.00 N ATOM 89 CE2 TRP A 8 6.112 2.082 -7.260 1.00 0.00 C ATOM 90 CE3 TRP A 8 6.877 -0.081 -8.027 1.00 0.00 C ATOM 91 CZ2 TRP A 8 6.556 1.805 -5.958 1.00 0.00 C ATOM 92 CZ3 TRP A 8 7.339 -0.364 -6.728 1.00 0.00 C ATOM 93 CH2 TRP A 8 7.177 0.574 -5.694 1.00 0.00 C ATOM 94 H TRP A 8 3.149 2.260 -10.883 1.00 0.00 H ATOM 95 HA TRP A 8 3.966 -0.240 -11.858 1.00 0.00 H ATOM 96 HB2 TRP A 8 6.137 0.322 -11.006 1.00 0.00 H ATOM 97 HB3 TRP A 8 5.391 1.789 -11.624 1.00 0.00 H ATOM 98 HD1 TRP A 8 4.616 3.608 -9.785 1.00 0.00 H ATOM 99 HE1 TRP A 8 5.198 3.990 -7.310 1.00 0.00 H ATOM 100 HE3 TRP A 8 6.996 -0.819 -8.805 1.00 0.00 H ATOM 101 HZ2 TRP A 8 6.392 2.517 -5.163 1.00 0.00 H ATOM 102 HZ3 TRP A 8 7.815 -1.312 -6.523 1.00 0.00 H ATOM 103 HH2 TRP A 8 7.517 0.342 -4.695 1.00 0.00 H ATOM 104 N LEU A 9 3.456 -0.183 -8.582 1.00 0.00 N ATOM 105 CA LEU A 9 3.331 -0.928 -7.340 1.00 0.00 C ATOM 106 C LEU A 9 2.191 -1.937 -7.480 1.00 0.00 C ATOM 107 O LEU A 9 2.387 -3.134 -7.276 1.00 0.00 O ATOM 108 CB LEU A 9 3.099 0.081 -6.198 1.00 0.00 C ATOM 109 CG LEU A 9 3.633 -0.357 -4.827 1.00 0.00 C ATOM 110 CD1 LEU A 9 3.597 0.833 -3.862 1.00 0.00 C ATOM 111 CD2 LEU A 9 2.793 -1.487 -4.235 1.00 0.00 C ATOM 112 H LEU A 9 3.242 0.803 -8.541 1.00 0.00 H ATOM 113 HA LEU A 9 4.270 -1.456 -7.165 1.00 0.00 H ATOM 114 HB2 LEU A 9 3.616 1.007 -6.452 1.00 0.00 H ATOM 115 HB3 LEU A 9 2.037 0.308 -6.106 1.00 0.00 H ATOM 116 HG LEU A 9 4.666 -0.691 -4.927 1.00 0.00 H ATOM 117 HD11 LEU A 9 4.186 1.659 -4.260 1.00 0.00 H ATOM 118 HD12 LEU A 9 2.569 1.170 -3.718 1.00 0.00 H ATOM 119 HD13 LEU A 9 4.013 0.540 -2.898 1.00 0.00 H ATOM 120 HD21 LEU A 9 1.749 -1.182 -4.174 1.00 0.00 H ATOM 121 HD22 LEU A 9 2.877 -2.370 -4.861 1.00 0.00 H ATOM 122 HD23 LEU A 9 3.158 -1.721 -3.235 1.00 0.00 H ATOM 123 N ALA A 10 1.009 -1.440 -7.864 1.00 0.00 N ATOM 124 CA ALA A 10 -0.194 -2.235 -8.047 1.00 0.00 C ATOM 125 C ALA A 10 -0.005 -3.310 -9.113 1.00 0.00 C ATOM 126 O ALA A 10 -0.358 -4.465 -8.885 1.00 0.00 O ATOM 127 CB ALA A 10 -1.365 -1.317 -8.404 1.00 0.00 C ATOM 128 H ALA A 10 0.940 -0.444 -8.030 1.00 0.00 H ATOM 129 HA ALA A 10 -0.410 -2.730 -7.103 1.00 0.00 H ATOM 130 HB1 ALA A 10 -1.152 -0.777 -9.327 1.00 0.00 H ATOM 131 HB2 ALA A 10 -2.268 -1.913 -8.540 1.00 0.00 H ATOM 132 HB3 ALA A 10 -1.529 -0.600 -7.600 1.00 0.00 H ATOM 133 N GLU A 11 0.551 -2.930 -10.269 1.00 0.00 N ATOM 134 CA GLU A 11 0.801 -3.824 -11.388 1.00 0.00 C ATOM 135 C GLU A 11 1.614 -5.043 -10.944 1.00 0.00 C ATOM 136 O GLU A 11 1.277 -6.170 -11.298 1.00 0.00 O ATOM 137 CB GLU A 11 1.498 -3.047 -12.512 1.00 0.00 C ATOM 138 CG GLU A 11 1.646 -3.889 -13.784 1.00 0.00 C ATOM 139 CD GLU A 11 2.263 -3.069 -14.913 1.00 0.00 C ATOM 140 OE1 GLU A 11 3.491 -2.844 -14.845 1.00 0.00 O ATOM 141 OE2 GLU A 11 1.497 -2.677 -15.820 1.00 0.00 O ATOM 142 H GLU A 11 0.818 -1.961 -10.380 1.00 0.00 H ATOM 143 HA GLU A 11 -0.163 -4.165 -11.763 1.00 0.00 H ATOM 144 HB2 GLU A 11 0.895 -2.172 -12.760 1.00 0.00 H ATOM 145 HB3 GLU A 11 2.481 -2.712 -12.178 1.00 0.00 H ATOM 146 HG2 GLU A 11 2.286 -4.749 -13.589 1.00 0.00 H ATOM 147 HG3 GLU A 11 0.662 -4.244 -14.094 1.00 0.00 H ATOM 148 N LYS A 12 2.671 -4.818 -10.157 1.00 0.00 N ATOM 149 CA LYS A 12 3.526 -5.886 -9.667 1.00 0.00 C ATOM 150 C LYS A 12 2.824 -6.715 -8.589 1.00 0.00 C ATOM 151 O LYS A 12 2.630 -7.916 -8.767 1.00 0.00 O ATOM 152 CB LYS A 12 4.834 -5.299 -9.123 1.00 0.00 C ATOM 153 CG LYS A 12 5.702 -4.725 -10.247 1.00 0.00 C ATOM 154 CD LYS A 12 6.904 -3.995 -9.638 1.00 0.00 C ATOM 155 CE LYS A 12 7.799 -3.375 -10.716 1.00 0.00 C ATOM 156 NZ LYS A 12 7.087 -2.347 -11.493 1.00 0.00 N ATOM 157 H LYS A 12 2.897 -3.868 -9.890 1.00 0.00 H ATOM 158 HA LYS A 12 3.777 -6.550 -10.497 1.00 0.00 H ATOM 159 HB2 LYS A 12 4.607 -4.516 -8.399 1.00 0.00 H ATOM 160 HB3 LYS A 12 5.400 -6.087 -8.623 1.00 0.00 H ATOM 161 HG2 LYS A 12 6.050 -5.536 -10.888 1.00 0.00 H ATOM 162 HG3 LYS A 12 5.113 -4.034 -10.846 1.00 0.00 H ATOM 163 HD2 LYS A 12 6.548 -3.207 -8.972 1.00 0.00 H ATOM 164 HD3 LYS A 12 7.494 -4.702 -9.054 1.00 0.00 H ATOM 165 HE2 LYS A 12 8.658 -2.910 -10.231 1.00 0.00 H ATOM 166 HE3 LYS A 12 8.157 -4.153 -11.391 1.00 0.00 H ATOM 167 HZ1 LYS A 12 6.704 -1.658 -10.862 1.00 0.00 H ATOM 168 HZ2 LYS A 12 7.728 -1.901 -12.133 1.00 0.00 H ATOM 169 HZ3 LYS A 12 6.335 -2.773 -12.016 1.00 0.00 H ATOM 170 N TYR A 13 2.476 -6.083 -7.463 1.00 0.00 N ATOM 171 CA TYR A 13 2.025 -6.785 -6.268 1.00 0.00 C ATOM 172 C TYR A 13 0.551 -7.183 -6.342 1.00 0.00 C ATOM 173 O TYR A 13 0.231 -8.365 -6.228 1.00 0.00 O ATOM 174 CB TYR A 13 2.300 -5.933 -5.019 1.00 0.00 C ATOM 175 CG TYR A 13 3.740 -5.520 -4.747 1.00 0.00 C ATOM 176 CD1 TYR A 13 4.829 -6.043 -5.477 1.00 0.00 C ATOM 177 CD2 TYR A 13 3.984 -4.581 -3.729 1.00 0.00 C ATOM 178 CE1 TYR A 13 6.126 -5.548 -5.261 1.00 0.00 C ATOM 179 CE2 TYR A 13 5.280 -4.081 -3.517 1.00 0.00 C ATOM 180 CZ TYR A 13 6.350 -4.553 -4.295 1.00 0.00 C ATOM 181 OH TYR A 13 7.603 -4.048 -4.104 1.00 0.00 O ATOM 182 H TYR A 13 2.628 -5.085 -7.394 1.00 0.00 H ATOM 183 HA TYR A 13 2.596 -7.709 -6.163 1.00 0.00 H ATOM 184 HB2 TYR A 13 1.707 -5.020 -5.092 1.00 0.00 H ATOM 185 HB3 TYR A 13 1.949 -6.490 -4.149 1.00 0.00 H ATOM 186 HD1 TYR A 13 4.697 -6.825 -6.208 1.00 0.00 H ATOM 187 HD2 TYR A 13 3.167 -4.221 -3.121 1.00 0.00 H ATOM 188 HE1 TYR A 13 6.951 -5.938 -5.840 1.00 0.00 H ATOM 189 HE2 TYR A 13 5.452 -3.329 -2.761 1.00 0.00 H ATOM 190 HH TYR A 13 8.259 -4.436 -4.688 1.00 0.00 H ATOM 191 N PHE A 14 -0.347 -6.202 -6.485 1.00 0.00 N ATOM 192 CA PHE A 14 -1.782 -6.423 -6.346 1.00 0.00 C ATOM 193 C PHE A 14 -2.319 -7.253 -7.514 1.00 0.00 C ATOM 194 O PHE A 14 -3.075 -8.199 -7.302 1.00 0.00 O ATOM 195 CB PHE A 14 -2.532 -5.086 -6.231 1.00 0.00 C ATOM 196 CG PHE A 14 -2.039 -4.082 -5.197 1.00 0.00 C ATOM 197 CD1 PHE A 14 -1.211 -4.465 -4.121 1.00 0.00 C ATOM 198 CD2 PHE A 14 -2.391 -2.726 -5.345 1.00 0.00 C ATOM 199 CE1 PHE A 14 -0.667 -3.490 -3.266 1.00 0.00 C ATOM 200 CE2 PHE A 14 -1.831 -1.750 -4.503 1.00 0.00 C ATOM 201 CZ PHE A 14 -0.970 -2.132 -3.461 1.00 0.00 C ATOM 202 H PHE A 14 -0.024 -5.252 -6.608 1.00 0.00 H ATOM 203 HA PHE A 14 -1.959 -6.988 -5.428 1.00 0.00 H ATOM 204 HB2 PHE A 14 -2.499 -4.598 -7.206 1.00 0.00 H ATOM 205 HB3 PHE A 14 -3.577 -5.306 -6.007 1.00 0.00 H ATOM 206 HD1 PHE A 14 -0.970 -5.501 -3.942 1.00 0.00 H ATOM 207 HD2 PHE A 14 -3.067 -2.425 -6.132 1.00 0.00 H ATOM 208 HE1 PHE A 14 -0.013 -3.786 -2.459 1.00 0.00 H ATOM 209 HE2 PHE A 14 -2.055 -0.705 -4.662 1.00 0.00 H ATOM 210 HZ PHE A 14 -0.545 -1.383 -2.808 1.00 0.00 H ATOM 211 N GLN A 15 -1.928 -6.892 -8.741 1.00 0.00 N ATOM 212 CA GLN A 15 -2.341 -7.570 -9.959 1.00 0.00 C ATOM 213 C GLN A 15 -1.439 -8.783 -10.194 1.00 0.00 C ATOM 214 O GLN A 15 -1.917 -9.914 -10.235 1.00 0.00 O ATOM 215 CB GLN A 15 -2.298 -6.592 -11.141 1.00 0.00 C ATOM 216 CG GLN A 15 -3.220 -5.385 -10.918 1.00 0.00 C ATOM 217 CD GLN A 15 -3.145 -4.373 -12.060 1.00 0.00 C ATOM 218 OE1 GLN A 15 -2.467 -4.599 -13.061 1.00 0.00 O ATOM 219 NE2 GLN A 15 -3.846 -3.245 -11.895 1.00 0.00 N ATOM 220 H GLN A 15 -1.294 -6.112 -8.835 1.00 0.00 H ATOM 221 HA GLN A 15 -3.371 -7.918 -9.853 1.00 0.00 H ATOM 222 HB2 GLN A 15 -1.279 -6.237 -11.279 1.00 0.00 H ATOM 223 HB3 GLN A 15 -2.609 -7.119 -12.045 1.00 0.00 H ATOM 224 HG2 GLN A 15 -4.248 -5.733 -10.822 1.00 0.00 H ATOM 225 HG3 GLN A 15 -2.938 -4.868 -10.001 1.00 0.00 H ATOM 226 HE21 GLN A 15 -4.381 -3.123 -11.048 1.00 0.00 H HETATM 227 N NH2 A 16 -0.131 -8.556 -10.345 1.00 0.00 N HETATM 228 HN1 NH2 A 16 0.497 -9.333 -10.490 1.00 0.00 H HETATM 229 HN2 NH2 A 16 0.232 -7.612 -10.331 1.00 0.00 H TER 230 NH2 A 16 HETATM 231 C1 LNK A 17 -3.863 -2.168 -12.871 1.00 0.00 C HETATM 232 C2 LNK A 17 -5.010 -1.200 -12.557 1.00 0.00 C HETATM 233 C3 LNK A 17 -5.175 -0.112 -13.630 1.00 0.00 C HETATM 234 C4 LNK A 17 -3.935 0.765 -13.857 1.00 0.00 C HETATM 235 C5 LNK A 17 -3.572 1.599 -12.624 1.00 0.00 C HETATM 236 H11 LNK A 17 -4.004 -2.579 -13.872 1.00 0.00 H HETATM 237 H12 LNK A 17 -2.906 -1.650 -12.823 1.00 0.00 H HETATM 238 H21 LNK A 17 -5.940 -1.769 -12.516 1.00 0.00 H HETATM 239 H22 LNK A 17 -4.851 -0.747 -11.579 1.00 0.00 H HETATM 240 H31 LNK A 17 -5.427 -0.598 -14.573 1.00 0.00 H HETATM 241 H32 LNK A 17 -6.011 0.529 -13.347 1.00 0.00 H HETATM 242 H41 LNK A 17 -4.150 1.450 -14.679 1.00 0.00 H HETATM 243 H42 LNK A 17 -3.089 0.146 -14.152 1.00 0.00 H HETATM 244 H51 LNK A 17 -4.389 2.287 -12.399 1.00 0.00 H HETATM 245 H52 LNK A 17 -3.400 0.951 -11.765 1.00 0.00 H