HETATM 1 C ACE A 1 -4.628 9.101 -5.405 1.00 0.00 C HETATM 2 O ACE A 1 -3.665 9.518 -6.047 1.00 0.00 O HETATM 3 CH3 ACE A 1 -5.968 9.826 -5.451 1.00 0.00 C HETATM 4 H1 ACE A 1 -6.683 9.230 -5.997 1.00 0.00 H HETATM 5 H2 ACE A 1 -5.845 10.781 -5.941 1.00 0.00 H HETATM 6 H3 ACE A 1 -6.326 9.984 -4.443 1.00 0.00 H ATOM 7 N GLY A 2 -4.572 8.015 -4.643 1.00 0.00 N ATOM 8 CA GLY A 2 -3.342 7.245 -4.527 1.00 0.00 C ATOM 9 C GLY A 2 -3.524 6.055 -3.599 1.00 0.00 C ATOM 10 O GLY A 2 -4.641 5.738 -3.189 1.00 0.00 O ATOM 11 H GLY A 2 -5.371 7.726 -4.152 1.00 0.00 H ATOM 12 HA2 GLY A 2 -3.054 6.887 -5.508 1.00 0.00 H ATOM 13 HA3 GLY A 2 -2.561 7.880 -4.138 1.00 0.00 H ATOM 14 N CYS A 3 -2.425 5.386 -3.282 1.00 0.00 N ATOM 15 CA CYS A 3 -2.487 4.222 -2.412 1.00 0.00 C ATOM 16 C CYS A 3 -2.995 4.610 -1.014 1.00 0.00 C ATOM 17 O CYS A 3 -2.479 5.550 -0.409 1.00 0.00 O ATOM 18 CB CYS A 3 -1.111 3.576 -2.293 1.00 0.00 C ATOM 19 SG CYS A 3 -1.279 2.017 -1.399 1.00 0.00 S ATOM 20 H CYS A 3 -1.560 5.674 -3.645 1.00 0.00 H ATOM 21 HA CYS A 3 -3.154 3.513 -2.858 1.00 0.00 H ATOM 22 HB2 CYS A 3 -0.707 3.384 -3.278 1.00 0.00 H ATOM 23 HB3 CYS A 3 -0.445 4.232 -1.751 1.00 0.00 H ATOM 24 N PRO A 4 -3.988 3.918 -0.482 1.00 0.00 N ATOM 25 CA PRO A 4 -4.545 4.230 0.876 1.00 0.00 C ATOM 26 C PRO A 4 -3.569 3.885 1.999 1.00 0.00 C ATOM 27 O PRO A 4 -3.678 4.403 3.112 1.00 0.00 O ATOM 28 CB PRO A 4 -5.812 3.374 0.957 1.00 0.00 C ATOM 29 CG PRO A 4 -5.577 2.236 0.024 1.00 0.00 C ATOM 30 CD PRO A 4 -4.689 2.773 -1.095 1.00 0.00 C ATOM 31 HA PRO A 4 -4.816 5.272 0.932 1.00 0.00 H ATOM 32 HB2 PRO A 4 -5.955 3.012 1.966 1.00 0.00 H ATOM 33 HB3 PRO A 4 -6.672 3.944 0.636 1.00 0.00 H ATOM 34 HG2 PRO A 4 -5.082 1.427 0.544 1.00 0.00 H ATOM 35 HG3 PRO A 4 -6.517 1.896 -0.389 1.00 0.00 H ATOM 36 HD2 PRO A 4 -3.982 2.014 -1.407 1.00 0.00 H ATOM 37 HD3 PRO A 4 -5.287 3.104 -1.929 1.00 0.00 H ATOM 38 N CYS A 5 -2.617 3.008 1.703 1.00 0.00 N ATOM 39 CA CYS A 5 -1.625 2.604 2.694 1.00 0.00 C ATOM 40 C CYS A 5 -0.487 3.612 2.778 1.00 0.00 C ATOM 41 O CYS A 5 0.125 3.962 1.767 1.00 0.00 O ATOM 42 CB CYS A 5 -1.052 1.234 2.334 1.00 0.00 C ATOM 43 SG CYS A 5 -2.146 -0.073 2.935 1.00 0.00 S ATOM 44 H CYS A 5 -2.575 2.630 0.801 1.00 0.00 H ATOM 45 HA CYS A 5 -2.102 2.537 3.660 1.00 0.00 H ATOM 46 HB2 CYS A 5 -0.964 1.157 1.262 1.00 0.00 H ATOM 47 HB3 CYS A 5 -0.076 1.125 2.785 1.00 0.00 H ATOM 48 N ILE A 6 -0.196 4.061 3.994 1.00 0.00 N ATOM 49 CA ILE A 6 0.881 5.017 4.204 1.00 0.00 C ATOM 50 C ILE A 6 2.208 4.404 3.781 1.00 0.00 C ATOM 51 O ILE A 6 3.000 5.039 3.088 1.00 0.00 O ATOM 52 CB ILE A 6 0.947 5.416 5.678 1.00 0.00 C ATOM 53 CG1 ILE A 6 -0.305 6.215 6.038 1.00 0.00 C ATOM 54 CG2 ILE A 6 2.187 6.281 5.920 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.377 6.395 7.554 1.00 0.00 C ATOM 56 H ILE A 6 -0.709 3.738 4.763 1.00 0.00 H ATOM 57 HA ILE A 6 0.694 5.897 3.610 1.00 0.00 H ATOM 58 HB ILE A 6 1.000 4.527 6.291 1.00 0.00 H ATOM 59 HG12 ILE A 6 -0.263 7.180 5.557 1.00 0.00 H ATOM 60 HG13 ILE A 6 -1.180 5.680 5.697 1.00 0.00 H ATOM 61 HG21 ILE A 6 2.191 7.107 5.223 1.00 0.00 H ATOM 62 HG22 ILE A 6 3.077 5.687 5.778 1.00 0.00 H ATOM 63 HG23 ILE A 6 2.166 6.663 6.930 1.00 0.00 H ATOM 64 HD11 ILE A 6 -0.447 5.428 8.029 1.00 0.00 H ATOM 65 HD12 ILE A 6 -1.246 6.984 7.805 1.00 0.00 H ATOM 66 HD13 ILE A 6 0.514 6.901 7.899 1.00 0.00 H ATOM 67 N TRP A 7 2.437 3.161 4.192 1.00 0.00 N ATOM 68 CA TRP A 7 3.669 2.475 3.834 1.00 0.00 C ATOM 69 C TRP A 7 3.377 1.382 2.795 1.00 0.00 C ATOM 70 O TRP A 7 2.741 0.379 3.116 1.00 0.00 O ATOM 71 CB TRP A 7 4.300 1.853 5.075 1.00 0.00 C ATOM 72 CG TRP A 7 4.623 2.941 6.045 1.00 0.00 C ATOM 73 CD1 TRP A 7 3.765 3.442 6.960 1.00 0.00 C ATOM 74 CD2 TRP A 7 5.872 3.676 6.207 1.00 0.00 C ATOM 75 NE1 TRP A 7 4.403 4.440 7.671 1.00 0.00 N ATOM 76 CE2 TRP A 7 5.705 4.621 7.246 1.00 0.00 C ATOM 77 CE3 TRP A 7 7.121 3.614 5.562 1.00 0.00 C ATOM 78 CZ2 TRP A 7 6.738 5.477 7.630 1.00 0.00 C ATOM 79 CZ3 TRP A 7 8.164 4.475 5.946 1.00 0.00 C ATOM 80 CH2 TRP A 7 7.972 5.405 6.977 1.00 0.00 C ATOM 81 H TRP A 7 1.764 2.699 4.733 1.00 0.00 H ATOM 82 HA TRP A 7 4.354 3.198 3.434 1.00 0.00 H ATOM 83 HB2 TRP A 7 3.605 1.162 5.523 1.00 0.00 H ATOM 84 HB3 TRP A 7 5.207 1.331 4.799 1.00 0.00 H ATOM 85 HD1 TRP A 7 2.747 3.117 7.108 1.00 0.00 H ATOM 86 HE1 TRP A 7 4.001 4.965 8.393 1.00 0.00 H ATOM 87 HE3 TRP A 7 7.279 2.899 4.768 1.00 0.00 H ATOM 88 HZ2 TRP A 7 6.585 6.191 8.426 1.00 0.00 H ATOM 89 HZ3 TRP A 7 9.120 4.420 5.444 1.00 0.00 H ATOM 90 HH2 TRP A 7 8.777 6.063 7.269 1.00 0.00 H ATOM 91 N PRO A 8 3.804 1.551 1.560 1.00 0.00 N ATOM 92 CA PRO A 8 3.550 0.543 0.483 1.00 0.00 C ATOM 93 C PRO A 8 4.279 -0.776 0.724 1.00 0.00 C ATOM 94 O PRO A 8 3.882 -1.818 0.202 1.00 0.00 O ATOM 95 CB PRO A 8 4.035 1.250 -0.792 1.00 0.00 C ATOM 96 CG PRO A 8 5.038 2.246 -0.330 1.00 0.00 C ATOM 97 CD PRO A 8 4.572 2.702 1.046 1.00 0.00 C ATOM 98 HA PRO A 8 2.495 0.351 0.406 1.00 0.00 H ATOM 99 HB2 PRO A 8 4.487 0.542 -1.465 1.00 0.00 H ATOM 100 HB3 PRO A 8 3.213 1.758 -1.275 1.00 0.00 H ATOM 101 HG2 PRO A 8 6.016 1.786 -0.261 1.00 0.00 H ATOM 102 HG3 PRO A 8 5.067 3.088 -1.002 1.00 0.00 H ATOM 103 HD2 PRO A 8 5.422 2.910 1.679 1.00 0.00 H ATOM 104 HD3 PRO A 8 3.934 3.568 0.962 1.00 0.00 H ATOM 105 N GLU A 9 5.333 -0.733 1.521 1.00 0.00 N ATOM 106 CA GLU A 9 6.087 -1.937 1.823 1.00 0.00 C ATOM 107 C GLU A 9 5.276 -2.860 2.737 1.00 0.00 C ATOM 108 O GLU A 9 5.559 -4.055 2.829 1.00 0.00 O ATOM 109 CB GLU A 9 7.401 -1.556 2.497 1.00 0.00 C ATOM 110 CG GLU A 9 7.126 -1.064 3.918 1.00 0.00 C ATOM 111 CD GLU A 9 8.398 -0.481 4.522 1.00 0.00 C ATOM 112 OE1 GLU A 9 9.403 -0.462 3.832 1.00 0.00 O ATOM 113 OE2 GLU A 9 8.347 -0.060 5.666 1.00 0.00 O ATOM 114 H GLU A 9 5.604 0.120 1.920 1.00 0.00 H ATOM 115 HA GLU A 9 6.303 -2.456 0.902 1.00 0.00 H ATOM 116 HB2 GLU A 9 8.050 -2.417 2.530 1.00 0.00 H ATOM 117 HB3 GLU A 9 7.877 -0.767 1.933 1.00 0.00 H ATOM 118 HG2 GLU A 9 6.357 -0.307 3.893 1.00 0.00 H ATOM 119 HG3 GLU A 9 6.794 -1.895 4.522 1.00 0.00 H ATOM 120 N LEU A 10 4.272 -2.300 3.413 1.00 0.00 N ATOM 121 CA LEU A 10 3.434 -3.088 4.312 1.00 0.00 C ATOM 122 C LEU A 10 2.106 -3.465 3.643 1.00 0.00 C ATOM 123 O LEU A 10 1.308 -4.208 4.213 1.00 0.00 O ATOM 124 CB LEU A 10 3.158 -2.283 5.585 1.00 0.00 C ATOM 125 CG LEU A 10 4.487 -1.873 6.231 1.00 0.00 C ATOM 126 CD1 LEU A 10 4.218 -1.023 7.476 1.00 0.00 C ATOM 127 CD2 LEU A 10 5.277 -3.124 6.635 1.00 0.00 C ATOM 128 H LEU A 10 4.089 -1.345 3.306 1.00 0.00 H ATOM 129 HA LEU A 10 3.957 -3.993 4.575 1.00 0.00 H ATOM 130 HB2 LEU A 10 2.590 -1.396 5.334 1.00 0.00 H ATOM 131 HB3 LEU A 10 2.594 -2.888 6.279 1.00 0.00 H ATOM 132 HG LEU A 10 5.062 -1.297 5.524 1.00 0.00 H ATOM 133 HD11 LEU A 10 3.475 -1.507 8.090 1.00 0.00 H ATOM 134 HD12 LEU A 10 3.860 -0.050 7.174 1.00 0.00 H ATOM 135 HD13 LEU A 10 5.133 -0.910 8.038 1.00 0.00 H ATOM 136 HD21 LEU A 10 6.090 -2.843 7.289 1.00 0.00 H ATOM 137 HD22 LEU A 10 5.676 -3.597 5.748 1.00 0.00 H ATOM 138 HD23 LEU A 10 4.623 -3.814 7.147 1.00 0.00 H ATOM 139 N CYS A 11 1.880 -2.955 2.433 1.00 0.00 N ATOM 140 CA CYS A 11 0.653 -3.251 1.704 1.00 0.00 C ATOM 141 C CYS A 11 0.978 -3.724 0.287 1.00 0.00 C ATOM 142 O CYS A 11 0.672 -3.050 -0.695 1.00 0.00 O ATOM 143 CB CYS A 11 -0.227 -1.999 1.639 1.00 0.00 C ATOM 144 SG CYS A 11 -0.881 -1.611 3.280 1.00 0.00 S ATOM 145 H CYS A 11 2.548 -2.372 2.019 1.00 0.00 H ATOM 146 HA CYS A 11 0.115 -4.031 2.222 1.00 0.00 H ATOM 147 HB2 CYS A 11 0.366 -1.168 1.289 1.00 0.00 H ATOM 148 HB3 CYS A 11 -1.042 -2.170 0.959 1.00 0.00 H ATOM 149 N PRO A 12 1.586 -4.872 0.180 1.00 0.00 N ATOM 150 CA PRO A 12 1.970 -5.478 -1.130 1.00 0.00 C ATOM 151 C PRO A 12 0.751 -5.927 -1.927 1.00 0.00 C ATOM 152 O PRO A 12 0.816 -6.095 -3.145 1.00 0.00 O ATOM 153 CB PRO A 12 2.845 -6.666 -0.736 1.00 0.00 C ATOM 154 CG PRO A 12 2.415 -7.026 0.645 1.00 0.00 C ATOM 155 CD PRO A 12 1.973 -5.723 1.308 1.00 0.00 C ATOM 156 HA PRO A 12 2.552 -4.777 -1.702 1.00 0.00 H ATOM 157 HB2 PRO A 12 2.678 -7.495 -1.412 1.00 0.00 H ATOM 158 HB3 PRO A 12 3.887 -6.383 -0.737 1.00 0.00 H ATOM 159 HG2 PRO A 12 1.589 -7.727 0.607 1.00 0.00 H ATOM 160 HG3 PRO A 12 3.239 -7.450 1.196 1.00 0.00 H ATOM 161 HD2 PRO A 12 1.126 -5.895 1.961 1.00 0.00 H ATOM 162 HD3 PRO A 12 2.791 -5.274 1.849 1.00 0.00 H ATOM 163 N TRP A 13 -0.360 -6.118 -1.226 1.00 0.00 N ATOM 164 CA TRP A 13 -1.599 -6.544 -1.866 1.00 0.00 C ATOM 165 C TRP A 13 -2.337 -5.358 -2.497 1.00 0.00 C ATOM 166 O TRP A 13 -3.452 -5.510 -2.994 1.00 0.00 O ATOM 167 CB TRP A 13 -2.512 -7.253 -0.854 1.00 0.00 C ATOM 168 CG TRP A 13 -2.568 -6.473 0.419 1.00 0.00 C ATOM 169 CD1 TRP A 13 -3.358 -5.405 0.641 1.00 0.00 C ATOM 170 CD2 TRP A 13 -1.824 -6.698 1.651 1.00 0.00 C ATOM 171 NE1 TRP A 13 -3.130 -4.935 1.921 1.00 0.00 N ATOM 172 CE2 TRP A 13 -2.196 -5.704 2.586 1.00 0.00 C ATOM 173 CE3 TRP A 13 -0.868 -7.653 2.042 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -1.637 -5.656 3.864 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -0.306 -7.610 3.327 1.00 0.00 C ATOM 176 CH2 TRP A 13 -0.690 -6.612 4.236 1.00 0.00 C ATOM 177 H TRP A 13 -0.343 -5.966 -0.264 1.00 0.00 H ATOM 178 HA TRP A 13 -1.352 -7.244 -2.648 1.00 0.00 H ATOM 179 HB2 TRP A 13 -3.505 -7.334 -1.266 1.00 0.00 H ATOM 180 HB3 TRP A 13 -2.123 -8.240 -0.654 1.00 0.00 H ATOM 181 HD1 TRP A 13 -4.043 -4.975 -0.071 1.00 0.00 H ATOM 182 HE1 TRP A 13 -3.569 -4.158 2.325 1.00 0.00 H ATOM 183 HE3 TRP A 13 -0.567 -8.425 1.350 1.00 0.00 H ATOM 184 HZ2 TRP A 13 -1.934 -4.884 4.557 1.00 0.00 H ATOM 185 HZ3 TRP A 13 0.428 -8.347 3.620 1.00 0.00 H ATOM 186 HH2 TRP A 13 -0.252 -6.583 5.223 1.00 0.00 H ATOM 187 N ILE A 14 -1.715 -4.179 -2.482 1.00 0.00 N ATOM 188 CA ILE A 14 -2.336 -2.994 -3.066 1.00 0.00 C ATOM 189 C ILE A 14 -1.584 -2.584 -4.327 1.00 0.00 C ATOM 190 O ILE A 14 -0.385 -2.308 -4.287 1.00 0.00 O ATOM 191 CB ILE A 14 -2.307 -1.843 -2.056 1.00 0.00 C ATOM 192 CG1 ILE A 14 -2.985 -2.259 -0.745 1.00 0.00 C ATOM 193 CG2 ILE A 14 -3.024 -0.625 -2.635 1.00 0.00 C ATOM 194 CD1 ILE A 14 -4.491 -2.481 -0.944 1.00 0.00 C ATOM 195 H ILE A 14 -0.825 -4.105 -2.080 1.00 0.00 H ATOM 196 HA ILE A 14 -3.357 -3.217 -3.325 1.00 0.00 H ATOM 197 HB ILE A 14 -1.284 -1.586 -1.855 1.00 0.00 H ATOM 198 HG12 ILE A 14 -2.534 -3.174 -0.395 1.00 0.00 H ATOM 199 HG13 ILE A 14 -2.830 -1.481 -0.008 1.00 0.00 H ATOM 200 HG21 ILE A 14 -3.171 0.109 -1.856 1.00 0.00 H ATOM 201 HG22 ILE A 14 -3.981 -0.923 -3.035 1.00 0.00 H ATOM 202 HG23 ILE A 14 -2.424 -0.196 -3.421 1.00 0.00 H ATOM 203 HD11 ILE A 14 -4.660 -3.143 -1.777 1.00 0.00 H ATOM 204 HD12 ILE A 14 -4.976 -1.535 -1.132 1.00 0.00 H ATOM 205 HD13 ILE A 14 -4.905 -2.921 -0.046 1.00 0.00 H ATOM 206 N ARG A 15 -2.299 -2.553 -5.443 1.00 0.00 N ATOM 207 CA ARG A 15 -1.691 -2.184 -6.715 1.00 0.00 C ATOM 208 C ARG A 15 -1.196 -0.744 -6.674 1.00 0.00 C ATOM 209 O ARG A 15 -0.204 -0.400 -7.315 1.00 0.00 O ATOM 210 CB ARG A 15 -2.720 -2.349 -7.837 1.00 0.00 C ATOM 211 CG ARG A 15 -3.839 -1.316 -7.669 1.00 0.00 C ATOM 212 CD ARG A 15 -4.884 -1.511 -8.763 1.00 0.00 C ATOM 213 NE ARG A 15 -4.294 -1.258 -10.071 1.00 0.00 N ATOM 214 CZ ARG A 15 -4.969 -1.490 -11.201 1.00 0.00 C ATOM 215 NH1 ARG A 15 -6.194 -1.952 -11.168 1.00 0.00 N ATOM 216 NH2 ARG A 15 -4.403 -1.251 -12.351 1.00 0.00 N ATOM 217 H ARG A 15 -3.248 -2.787 -5.414 1.00 0.00 H ATOM 218 HA ARG A 15 -0.856 -2.838 -6.908 1.00 0.00 H ATOM 219 HB2 ARG A 15 -2.236 -2.204 -8.790 1.00 0.00 H ATOM 220 HB3 ARG A 15 -3.142 -3.342 -7.792 1.00 0.00 H ATOM 221 HG2 ARG A 15 -4.303 -1.440 -6.704 1.00 0.00 H ATOM 222 HG3 ARG A 15 -3.430 -0.320 -7.746 1.00 0.00 H ATOM 223 HD2 ARG A 15 -5.255 -2.523 -8.730 1.00 0.00 H ATOM 224 HD3 ARG A 15 -5.703 -0.825 -8.600 1.00 0.00 H ATOM 225 HE ARG A 15 -3.380 -0.912 -10.121 1.00 0.00 H ATOM 226 HH11 ARG A 15 -6.642 -2.140 -10.295 1.00 0.00 H ATOM 227 HH12 ARG A 15 -6.683 -2.119 -12.024 1.00 0.00 H ATOM 228 HH21 ARG A 15 -3.468 -0.898 -12.384 1.00 0.00 H ATOM 229 HH22 ARG A 15 -4.904 -1.422 -13.198 1.00 0.00 H ATOM 230 N SER A 16 -1.897 0.093 -5.920 1.00 0.00 N ATOM 231 CA SER A 16 -1.523 1.495 -5.806 1.00 0.00 C ATOM 232 C SER A 16 -0.161 1.643 -5.131 1.00 0.00 C ATOM 233 O SER A 16 0.651 2.481 -5.523 1.00 0.00 O ATOM 234 CB SER A 16 -2.579 2.253 -5.012 1.00 0.00 C ATOM 235 OG SER A 16 -3.801 2.261 -5.738 1.00 0.00 O ATOM 236 H SER A 16 -2.680 -0.237 -5.431 1.00 0.00 H ATOM 237 HA SER A 16 -1.467 1.917 -6.797 1.00 0.00 H ATOM 238 HB2 SER A 16 -2.735 1.770 -4.061 1.00 0.00 H ATOM 239 HB3 SER A 16 -2.243 3.268 -4.844 1.00 0.00 H ATOM 240 HG SER A 16 -4.205 3.126 -5.630 1.00 0.00 H ATOM 241 N CYS A 17 0.075 0.825 -4.111 1.00 0.00 N ATOM 242 CA CYS A 17 1.333 0.863 -3.379 1.00 0.00 C ATOM 243 C CYS A 17 2.404 0.062 -4.116 1.00 0.00 C ATOM 244 O CYS A 17 3.590 0.165 -3.802 1.00 0.00 O ATOM 245 CB CYS A 17 1.127 0.281 -1.982 1.00 0.00 C ATOM 246 SG CYS A 17 0.606 1.592 -0.845 1.00 0.00 S ATOM 247 H CYS A 17 -0.610 0.182 -3.848 1.00 0.00 H ATOM 248 HA CYS A 17 1.659 1.889 -3.285 1.00 0.00 H ATOM 249 HB2 CYS A 17 0.369 -0.479 -2.023 1.00 0.00 H ATOM 250 HB3 CYS A 17 2.049 -0.153 -1.630 1.00 0.00 H HETATM 251 N NH2 A 18 2.050 -0.736 -5.087 1.00 0.00 N HETATM 252 HN1 NH2 A 18 1.104 -0.818 -5.336 1.00 0.00 H HETATM 253 HN2 NH2 A 18 2.733 -1.256 -5.567 1.00 0.00 H TER 254 NH2 A 18