HETATM 1 C ACE A 1 21.896 2.720 -6.780 1.00 0.00 C HETATM 2 O ACE A 1 22.644 3.686 -6.938 1.00 0.00 O HETATM 3 CH3 ACE A 1 20.397 2.887 -6.865 1.00 0.00 C HETATM 4 H1 ACE A 1 20.172 3.699 -7.540 1.00 0.00 H HETATM 5 H2 ACE A 1 20.014 3.109 -5.879 1.00 0.00 H HETATM 6 H3 ACE A 1 19.960 1.970 -7.232 1.00 0.00 H ATOM 7 N ALA A 2 22.339 1.480 -6.531 1.00 0.00 N ATOM 8 CA ALA A 2 23.764 1.157 -6.419 1.00 0.00 C ATOM 9 C ALA A 2 24.360 1.690 -5.114 1.00 0.00 C ATOM 10 O ALA A 2 24.731 0.912 -4.234 1.00 0.00 O ATOM 11 CB ALA A 2 24.538 1.685 -7.624 1.00 0.00 C ATOM 12 H ALA A 2 21.683 0.761 -6.417 1.00 0.00 H ATOM 13 HA ALA A 2 23.852 0.080 -6.417 1.00 0.00 H ATOM 14 HB1 ALA A 2 23.851 2.120 -8.333 1.00 0.00 H ATOM 15 HB2 ALA A 2 25.071 0.871 -8.093 1.00 0.00 H ATOM 16 HB3 ALA A 2 25.244 2.436 -7.300 1.00 0.00 H ATOM 17 N TYR A 3 24.444 3.018 -4.993 1.00 0.00 N ATOM 18 CA TYR A 3 24.990 3.651 -3.791 1.00 0.00 C ATOM 19 C TYR A 3 24.111 3.365 -2.574 1.00 0.00 C ATOM 20 O TYR A 3 24.619 3.110 -1.481 1.00 0.00 O ATOM 21 CB TYR A 3 25.126 5.161 -3.997 1.00 0.00 C ATOM 22 CG TYR A 3 25.924 5.851 -2.913 1.00 0.00 C ATOM 23 CD1 TYR A 3 27.300 6.007 -3.030 1.00 0.00 C ATOM 24 CD2 TYR A 3 25.302 6.345 -1.774 1.00 0.00 C ATOM 25 CE1 TYR A 3 28.032 6.635 -2.042 1.00 0.00 C ATOM 26 CE2 TYR A 3 26.028 6.975 -0.781 1.00 0.00 C ATOM 27 CZ TYR A 3 27.392 7.117 -0.921 1.00 0.00 C ATOM 28 OH TYR A 3 28.119 7.743 0.067 1.00 0.00 O ATOM 29 H TYR A 3 24.129 3.587 -5.726 1.00 0.00 H ATOM 30 HA TYR A 3 25.971 3.231 -3.616 1.00 0.00 H ATOM 31 HB2 TYR A 3 25.619 5.346 -4.940 1.00 0.00 H ATOM 32 HB3 TYR A 3 24.141 5.605 -4.019 1.00 0.00 H ATOM 33 HD1 TYR A 3 27.799 5.629 -3.910 1.00 0.00 H ATOM 34 HD2 TYR A 3 24.231 6.231 -1.668 1.00 0.00 H ATOM 35 HE1 TYR A 3 29.101 6.748 -2.151 1.00 0.00 H ATOM 36 HE2 TYR A 3 25.528 7.354 0.097 1.00 0.00 H ATOM 37 HH TYR A 3 28.267 8.660 -0.177 1.00 0.00 H ATOM 38 N ALA A 4 22.791 3.406 -2.771 1.00 0.00 N ATOM 39 CA ALA A 4 21.843 3.142 -1.689 1.00 0.00 C ATOM 40 C ALA A 4 22.022 1.726 -1.144 1.00 0.00 C ATOM 41 O ALA A 4 21.996 1.514 0.069 1.00 0.00 O ATOM 42 CB ALA A 4 20.416 3.356 -2.168 1.00 0.00 C ATOM 43 H ALA A 4 22.447 3.611 -3.666 1.00 0.00 H ATOM 44 HA ALA A 4 22.043 3.848 -0.896 1.00 0.00 H ATOM 45 HB1 ALA A 4 20.283 4.391 -2.447 1.00 0.00 H ATOM 46 HB2 ALA A 4 19.728 3.106 -1.374 1.00 0.00 H ATOM 47 HB3 ALA A 4 20.225 2.726 -3.024 1.00 0.00 H ATOM 48 N GLN A 5 22.225 0.764 -2.050 1.00 0.00 N ATOM 49 CA GLN A 5 22.432 -0.629 -1.658 1.00 0.00 C ATOM 50 C GLN A 5 23.725 -0.770 -0.855 1.00 0.00 C ATOM 51 O GLN A 5 23.781 -1.522 0.118 1.00 0.00 O ATOM 52 CB GLN A 5 22.481 -1.533 -2.895 1.00 0.00 C ATOM 53 CG GLN A 5 22.492 -3.019 -2.568 1.00 0.00 C ATOM 54 CD GLN A 5 21.380 -3.782 -3.266 1.00 0.00 C ATOM 55 OE1 GLN A 5 21.343 -3.861 -4.494 1.00 0.00 O ATOM 56 NE2 GLN A 5 20.466 -4.351 -2.485 1.00 0.00 N ATOM 57 H GLN A 5 22.249 1.000 -3.001 1.00 0.00 H ATOM 58 HA GLN A 5 21.601 -0.928 -1.036 1.00 0.00 H ATOM 59 HB2 GLN A 5 21.617 -1.328 -3.509 1.00 0.00 H ATOM 60 HB3 GLN A 5 23.373 -1.304 -3.458 1.00 0.00 H ATOM 61 HG2 GLN A 5 23.440 -3.435 -2.876 1.00 0.00 H ATOM 62 HG3 GLN A 5 22.378 -3.142 -1.501 1.00 0.00 H ATOM 63 HE21 GLN A 5 20.558 -4.249 -1.514 1.00 0.00 H ATOM 64 HE22 GLN A 5 19.739 -4.848 -2.913 1.00 0.00 H ATOM 65 N TRP A 6 24.756 -0.023 -1.266 1.00 0.00 N ATOM 66 CA TRP A 6 26.051 -0.039 -0.587 1.00 0.00 C ATOM 67 C TRP A 6 25.886 0.302 0.897 1.00 0.00 C ATOM 68 O TRP A 6 26.487 -0.340 1.759 1.00 0.00 O ATOM 69 CB TRP A 6 27.009 0.953 -1.261 1.00 0.00 C ATOM 70 CG TRP A 6 28.283 1.182 -0.503 1.00 0.00 C ATOM 71 CD1 TRP A 6 29.320 0.307 -0.352 1.00 0.00 C ATOM 72 CD2 TRP A 6 28.654 2.369 0.207 1.00 0.00 C ATOM 73 NE1 TRP A 6 30.310 0.877 0.410 1.00 0.00 N ATOM 74 CE2 TRP A 6 29.926 2.141 0.765 1.00 0.00 C ATOM 75 CE3 TRP A 6 28.035 3.603 0.425 1.00 0.00 C ATOM 76 CZ2 TRP A 6 30.589 3.099 1.525 1.00 0.00 C ATOM 77 CZ3 TRP A 6 28.695 4.555 1.182 1.00 0.00 C ATOM 78 CH2 TRP A 6 29.960 4.297 1.723 1.00 0.00 C ATOM 79 H TRP A 6 24.637 0.563 -2.043 1.00 0.00 H ATOM 80 HA TRP A 6 26.458 -1.035 -0.672 1.00 0.00 H ATOM 81 HB2 TRP A 6 27.270 0.580 -2.240 1.00 0.00 H ATOM 82 HB3 TRP A 6 26.510 1.904 -1.369 1.00 0.00 H ATOM 83 HD1 TRP A 6 29.345 -0.687 -0.774 1.00 0.00 H ATOM 84 HE1 TRP A 6 31.155 0.449 0.658 1.00 0.00 H ATOM 85 HE3 TRP A 6 27.060 3.819 0.015 1.00 0.00 H ATOM 86 HZ2 TRP A 6 31.565 2.917 1.950 1.00 0.00 H ATOM 87 HZ3 TRP A 6 28.232 5.514 1.362 1.00 0.00 H ATOM 88 HH2 TRP A 6 30.438 5.068 2.308 1.00 0.00 H ATOM 89 N LEU A 7 25.056 1.311 1.183 1.00 0.00 N ATOM 90 CA LEU A 7 24.797 1.733 2.559 1.00 0.00 C ATOM 91 C LEU A 7 24.071 0.635 3.339 1.00 0.00 C ATOM 92 O LEU A 7 24.342 0.423 4.521 1.00 0.00 O ATOM 93 CB LEU A 7 23.960 3.017 2.579 1.00 0.00 C ATOM 94 CG LEU A 7 24.680 4.273 2.083 1.00 0.00 C ATOM 95 CD1 LEU A 7 23.701 5.430 1.947 1.00 0.00 C ATOM 96 CD2 LEU A 7 25.817 4.643 3.025 1.00 0.00 C ATOM 97 H LEU A 7 24.601 1.775 0.450 1.00 0.00 H ATOM 98 HA LEU A 7 25.747 1.926 3.032 1.00 0.00 H ATOM 99 HB2 LEU A 7 23.087 2.860 1.961 1.00 0.00 H ATOM 100 HB3 LEU A 7 23.634 3.192 3.592 1.00 0.00 H ATOM 101 HG LEU A 7 25.101 4.077 1.108 1.00 0.00 H ATOM 102 HD11 LEU A 7 23.356 5.490 0.926 1.00 0.00 H ATOM 103 HD12 LEU A 7 24.195 6.353 2.216 1.00 0.00 H ATOM 104 HD13 LEU A 7 22.858 5.269 2.603 1.00 0.00 H ATOM 105 HD21 LEU A 7 25.418 4.858 4.005 1.00 0.00 H ATOM 106 HD22 LEU A 7 26.329 5.517 2.647 1.00 0.00 H ATOM 107 HD23 LEU A 7 26.513 3.820 3.092 1.00 0.00 H ATOM 108 N ALA A 8 23.149 -0.061 2.663 1.00 0.00 N ATOM 109 CA ALA A 8 22.382 -1.141 3.283 1.00 0.00 C ATOM 110 C ALA A 8 23.295 -2.262 3.785 1.00 0.00 C ATOM 111 O ALA A 8 23.021 -2.875 4.818 1.00 0.00 O ATOM 112 CB ALA A 8 21.359 -1.693 2.301 1.00 0.00 C ATOM 113 H ALA A 8 22.983 0.160 1.722 1.00 0.00 H ATOM 114 HA ALA A 8 21.847 -0.725 4.124 1.00 0.00 H ATOM 115 HB1 ALA A 8 20.645 -0.921 2.052 1.00 0.00 H ATOM 116 HB2 ALA A 8 20.843 -2.529 2.749 1.00 0.00 H ATOM 117 HB3 ALA A 8 21.861 -2.020 1.402 1.00 0.00 H ATOM 118 N ASP A 9 24.381 -2.522 3.051 1.00 0.00 N ATOM 119 CA ASP A 9 25.334 -3.568 3.431 1.00 0.00 C ATOM 120 C ASP A 9 26.183 -3.149 4.640 1.00 0.00 C ATOM 121 O ASP A 9 26.829 -3.990 5.267 1.00 0.00 O ATOM 122 CB ASP A 9 26.250 -3.927 2.250 1.00 0.00 C ATOM 123 CG ASP A 9 25.502 -4.050 0.933 1.00 0.00 C ATOM 124 OD1 ASP A 9 24.503 -4.799 0.881 1.00 0.00 O ATOM 125 OD2 ASP A 9 25.920 -3.397 -0.047 1.00 0.00 O ATOM 126 H ASP A 9 24.548 -1.997 2.240 1.00 0.00 H ATOM 127 HA ASP A 9 24.763 -4.444 3.703 1.00 0.00 H ATOM 128 HB2 ASP A 9 27.004 -3.162 2.141 1.00 0.00 H ATOM 129 HB3 ASP A 9 26.733 -4.871 2.456 1.00 0.00 H HETATM 130 N DAL A 10 26.176 -1.850 4.965 1.00 0.00 N HETATM 131 CA DAL A 10 26.942 -1.332 6.097 1.00 0.00 C HETATM 132 CB DAL A 10 25.998 -0.894 7.208 1.00 0.00 C HETATM 133 C DAL A 10 27.858 -0.171 5.686 1.00 0.00 C HETATM 134 O DAL A 10 28.362 0.558 6.544 1.00 0.00 O HETATM 135 H DAL A 10 25.642 -1.225 4.432 1.00 0.00 H HETATM 136 HA DAL A 10 27.552 -2.136 6.480 1.00 0.00 H HETATM 137 HB1 DAL A 10 25.521 -1.762 7.638 1.00 0.00 H HETATM 138 HB2 DAL A 10 25.246 -0.234 6.801 1.00 0.00 H HETATM 139 HB3 DAL A 10 26.557 -0.375 7.972 1.00 0.00 H ATOM 140 N GLY A 11 28.075 -0.004 4.376 1.00 0.00 N ATOM 141 CA GLY A 11 28.929 1.067 3.892 1.00 0.00 C ATOM 142 C GLY A 11 30.386 0.867 4.273 1.00 0.00 C ATOM 143 O GLY A 11 30.947 -0.204 4.036 1.00 0.00 O ATOM 144 H GLY A 11 27.654 -0.612 3.735 1.00 0.00 H ATOM 145 HA2 GLY A 11 28.853 1.114 2.816 1.00 0.00 H ATOM 146 HA3 GLY A 11 28.582 2.001 4.306 1.00 0.00 H ATOM 147 N PRO A 12 31.032 1.888 4.871 1.00 0.00 N ATOM 148 CA PRO A 12 32.441 1.807 5.285 1.00 0.00 C ATOM 149 C PRO A 12 32.687 0.743 6.362 1.00 0.00 C ATOM 150 O PRO A 12 33.804 0.242 6.498 1.00 0.00 O ATOM 151 CB PRO A 12 32.743 3.204 5.845 1.00 0.00 C ATOM 152 CG PRO A 12 31.653 4.081 5.326 1.00 0.00 C ATOM 153 CD PRO A 12 30.446 3.203 5.187 1.00 0.00 C ATOM 154 HA PRO A 12 33.085 1.610 4.440 1.00 0.00 H ATOM 155 HB2 PRO A 12 32.740 3.172 6.925 1.00 0.00 H ATOM 156 HB3 PRO A 12 33.710 3.532 5.494 1.00 0.00 H ATOM 157 HG2 PRO A 12 31.458 4.878 6.031 1.00 0.00 H ATOM 158 HG3 PRO A 12 31.934 4.488 4.367 1.00 0.00 H ATOM 159 HD2 PRO A 12 29.890 3.170 6.113 1.00 0.00 H ATOM 160 HD3 PRO A 12 29.818 3.549 4.379 1.00 0.00 H ATOM 161 N ALA A 13 31.643 0.407 7.129 1.00 0.00 N ATOM 162 CA ALA A 13 31.755 -0.589 8.195 1.00 0.00 C ATOM 163 C ALA A 13 31.958 -2.001 7.642 1.00 0.00 C ATOM 164 O ALA A 13 32.736 -2.780 8.196 1.00 0.00 O ATOM 165 CB ALA A 13 30.527 -0.541 9.095 1.00 0.00 C ATOM 166 H ALA A 13 30.779 0.844 6.977 1.00 0.00 H ATOM 167 HA ALA A 13 32.615 -0.329 8.795 1.00 0.00 H ATOM 168 HB1 ALA A 13 30.447 -1.468 9.645 1.00 0.00 H ATOM 169 HB2 ALA A 13 29.642 -0.403 8.493 1.00 0.00 H ATOM 170 HB3 ALA A 13 30.622 0.281 9.789 1.00 0.00 H ATOM 171 N SER A 14 31.259 -2.329 6.552 1.00 0.00 N ATOM 172 CA SER A 14 31.373 -3.653 5.936 1.00 0.00 C ATOM 173 C SER A 14 32.745 -3.857 5.286 1.00 0.00 C ATOM 174 O SER A 14 33.191 -4.993 5.116 1.00 0.00 O ATOM 175 CB SER A 14 30.269 -3.859 4.895 1.00 0.00 C ATOM 176 OG SER A 14 30.337 -2.881 3.870 1.00 0.00 O ATOM 177 H SER A 14 30.654 -1.668 6.153 1.00 0.00 H ATOM 178 HA SER A 14 31.252 -4.388 6.718 1.00 0.00 H ATOM 179 HB2 SER A 14 30.377 -4.836 4.448 1.00 0.00 H ATOM 180 HB3 SER A 14 29.307 -3.791 5.378 1.00 0.00 H ATOM 181 HG SER A 14 29.643 -3.043 3.226 1.00 0.00 H HETATM 182 N DAL A 15 33.406 -2.756 4.918 1.00 0.00 N HETATM 183 CA DAL A 15 34.719 -2.822 4.283 1.00 0.00 C HETATM 184 CB DAL A 15 35.518 -1.562 4.584 1.00 0.00 C HETATM 185 C DAL A 15 34.590 -3.022 2.774 1.00 0.00 C HETATM 186 O DAL A 15 35.398 -3.722 2.162 1.00 0.00 O HETATM 187 H DAL A 15 32.998 -1.878 5.074 1.00 0.00 H HETATM 188 HA DAL A 15 35.250 -3.665 4.703 1.00 0.00 H HETATM 189 HB1 DAL A 15 34.985 -0.699 4.212 1.00 0.00 H HETATM 190 HB2 DAL A 15 36.482 -1.623 4.101 1.00 0.00 H HETATM 191 HB3 DAL A 15 35.655 -1.468 5.651 1.00 0.00 H HETATM 192 N NVA A 16 33.569 -2.398 2.183 1.00 0.00 N HETATM 193 CA NVA A 16 33.327 -2.500 0.748 1.00 0.00 C HETATM 194 CB NVA A 16 31.962 -3.154 0.491 1.00 0.00 C HETATM 195 CG NVA A 16 31.576 -3.229 -0.980 1.00 0.00 C HETATM 196 CD NVA A 16 31.848 -4.598 -1.565 1.00 0.00 C HETATM 197 C NVA A 16 33.389 -1.118 0.098 1.00 0.00 C HETATM 198 O NVA A 16 32.848 -0.149 0.632 1.00 0.00 O HETATM 199 H NVA A 16 32.963 -1.854 2.728 1.00 0.00 H HETATM 200 HA NVA A 16 34.101 -3.122 0.325 1.00 0.00 H HETATM 201 HB2 NVA A 16 31.203 -2.591 1.012 1.00 0.00 H HETATM 202 HB3 NVA A 16 31.981 -4.159 0.885 1.00 0.00 H HETATM 203 HG2 NVA A 16 32.149 -2.501 -1.535 1.00 0.00 H HETATM 204 HG3 NVA A 16 30.522 -3.018 -1.080 1.00 0.00 H HETATM 205 HD1 NVA A 16 32.857 -4.631 -1.950 1.00 0.00 H HETATM 206 HD2 NVA A 16 31.151 -4.791 -2.368 1.00 0.00 H HETATM 207 HD3 NVA A 16 31.731 -5.348 -0.798 1.00 0.00 H ATOM 208 N PRO A 17 34.060 -1.006 -1.065 1.00 0.00 N ATOM 209 CA PRO A 17 34.193 0.269 -1.780 1.00 0.00 C ATOM 210 C PRO A 17 32.868 0.746 -2.378 1.00 0.00 C ATOM 211 O PRO A 17 32.237 0.028 -3.158 1.00 0.00 O ATOM 212 CB PRO A 17 35.201 -0.046 -2.890 1.00 0.00 C ATOM 213 CG PRO A 17 35.087 -1.516 -3.106 1.00 0.00 C ATOM 214 CD PRO A 17 34.744 -2.109 -1.768 1.00 0.00 C ATOM 215 HA PRO A 17 34.593 1.038 -1.138 1.00 0.00 H ATOM 216 HB2 PRO A 17 34.943 0.506 -3.781 1.00 0.00 H ATOM 217 HB3 PRO A 17 36.194 0.228 -2.565 1.00 0.00 H ATOM 218 HG2 PRO A 17 34.301 -1.722 -3.819 1.00 0.00 H ATOM 219 HG3 PRO A 17 36.028 -1.908 -3.459 1.00 0.00 H ATOM 220 HD2 PRO A 17 34.085 -2.956 -1.888 1.00 0.00 H ATOM 221 HD3 PRO A 17 35.642 -2.400 -1.242 1.00 0.00 H ATOM 222 N PRO A 18 32.428 1.970 -2.020 1.00 0.00 N ATOM 223 CA PRO A 18 31.174 2.549 -2.524 1.00 0.00 C ATOM 224 C PRO A 18 31.150 2.640 -4.051 1.00 0.00 C ATOM 225 O PRO A 18 32.151 3.001 -4.672 1.00 0.00 O ATOM 226 CB PRO A 18 31.141 3.955 -1.908 1.00 0.00 C ATOM 227 CG PRO A 18 32.537 4.223 -1.461 1.00 0.00 C ATOM 228 CD PRO A 18 33.116 2.887 -1.097 1.00 0.00 C ATOM 229 HA PRO A 18 30.318 1.985 -2.184 1.00 0.00 H ATOM 230 HB2 PRO A 18 30.824 4.668 -2.654 1.00 0.00 H ATOM 231 HB3 PRO A 18 30.453 3.970 -1.075 1.00 0.00 H ATOM 232 HG2 PRO A 18 33.102 4.670 -2.266 1.00 0.00 H ATOM 233 HG3 PRO A 18 32.529 4.874 -0.599 1.00 0.00 H ATOM 234 HD2 PRO A 18 34.182 2.879 -1.264 1.00 0.00 H ATOM 235 HD3 PRO A 18 32.888 2.642 -0.070 1.00 0.00 H ATOM 236 N PRO A 19 30.002 2.311 -4.676 1.00 0.00 N ATOM 237 CA PRO A 19 29.854 2.358 -6.134 1.00 0.00 C ATOM 238 C PRO A 19 29.684 3.787 -6.655 1.00 0.00 C ATOM 239 O PRO A 19 28.565 4.246 -6.897 1.00 0.00 O ATOM 240 CB PRO A 19 28.591 1.530 -6.379 1.00 0.00 C ATOM 241 CG PRO A 19 27.780 1.706 -5.143 1.00 0.00 C ATOM 242 CD PRO A 19 28.760 1.870 -4.011 1.00 0.00 C ATOM 243 HA PRO A 19 30.694 1.894 -6.631 1.00 0.00 H ATOM 244 HB2 PRO A 19 28.075 1.904 -7.251 1.00 0.00 H ATOM 245 HB3 PRO A 19 28.860 0.495 -6.530 1.00 0.00 H ATOM 246 HG2 PRO A 19 27.163 2.588 -5.233 1.00 0.00 H ATOM 247 HG3 PRO A 19 27.164 0.834 -4.981 1.00 0.00 H ATOM 248 HD2 PRO A 19 28.410 2.619 -3.317 1.00 0.00 H ATOM 249 HD3 PRO A 19 28.910 0.927 -3.504 1.00 0.00 H ATOM 250 N SER A 20 30.808 4.485 -6.823 1.00 0.00 N ATOM 251 CA SER A 20 30.797 5.862 -7.310 1.00 0.00 C ATOM 252 C SER A 20 32.052 6.161 -8.129 1.00 0.00 C ATOM 253 O SER A 20 33.171 5.893 -7.690 1.00 0.00 O ATOM 254 CB SER A 20 30.694 6.842 -6.138 1.00 0.00 C ATOM 255 OG SER A 20 29.415 6.779 -5.529 1.00 0.00 O ATOM 256 H SER A 20 31.667 4.063 -6.609 1.00 0.00 H ATOM 257 HA SER A 20 29.931 5.982 -7.945 1.00 0.00 H ATOM 258 HB2 SER A 20 31.442 6.597 -5.399 1.00 0.00 H ATOM 259 HB3 SER A 20 30.859 7.848 -6.497 1.00 0.00 H ATOM 260 HG SER A 20 29.449 7.200 -4.668 1.00 0.00 H HETATM 261 N NH2 A 21 31.866 6.718 -9.322 1.00 0.00 N HETATM 262 HN1 NH2 A 21 30.948 6.904 -9.611 1.00 0.00 H HETATM 263 HN2 NH2 A 21 32.656 6.919 -9.866 1.00 0.00 H TER 264 NH2 A 21