HETATM 1 C ACE A 1 -5.324 8.716 -4.337 1.00 0.00 C HETATM 2 O ACE A 1 -4.909 9.189 -3.279 1.00 0.00 O HETATM 3 CH3 ACE A 1 -6.661 9.164 -4.921 1.00 0.00 C HETATM 4 H1 ACE A 1 -6.517 10.067 -5.495 1.00 0.00 H HETATM 5 H2 ACE A 1 -7.361 9.353 -4.121 1.00 0.00 H HETATM 6 H3 ACE A 1 -7.051 8.388 -5.563 1.00 0.00 H ATOM 7 N GLY A 2 -4.655 7.805 -5.035 1.00 0.00 N ATOM 8 CA GLY A 2 -3.363 7.302 -4.579 1.00 0.00 C ATOM 9 C GLY A 2 -3.541 6.096 -3.667 1.00 0.00 C ATOM 10 O GLY A 2 -4.658 5.750 -3.290 1.00 0.00 O ATOM 11 H GLY A 2 -5.035 7.466 -5.872 1.00 0.00 H ATOM 12 HA2 GLY A 2 -2.772 7.016 -5.439 1.00 0.00 H ATOM 13 HA3 GLY A 2 -2.850 8.084 -4.037 1.00 0.00 H ATOM 14 N CYS A 3 -2.431 5.453 -3.318 1.00 0.00 N ATOM 15 CA CYS A 3 -2.489 4.282 -2.453 1.00 0.00 C ATOM 16 C CYS A 3 -3.008 4.664 -1.059 1.00 0.00 C ATOM 17 O CYS A 3 -2.503 5.607 -0.450 1.00 0.00 O ATOM 18 CB CYS A 3 -1.105 3.646 -2.321 1.00 0.00 C ATOM 19 SG CYS A 3 -1.255 2.125 -1.361 1.00 0.00 S ATOM 20 H CYS A 3 -1.564 5.769 -3.648 1.00 0.00 H ATOM 21 HA CYS A 3 -3.146 3.568 -2.903 1.00 0.00 H ATOM 22 HB2 CYS A 3 -0.713 3.415 -3.301 1.00 0.00 H ATOM 23 HB3 CYS A 3 -0.437 4.326 -1.816 1.00 0.00 H ATOM 24 N PRO A 4 -4.001 3.965 -0.539 1.00 0.00 N ATOM 25 CA PRO A 4 -4.568 4.271 0.810 1.00 0.00 C ATOM 26 C PRO A 4 -3.599 3.917 1.934 1.00 0.00 C ATOM 27 O PRO A 4 -3.663 4.479 3.028 1.00 0.00 O ATOM 28 CB PRO A 4 -5.832 3.411 0.880 1.00 0.00 C ATOM 29 CG PRO A 4 -5.571 2.266 -0.038 1.00 0.00 C ATOM 30 CD PRO A 4 -4.685 2.810 -1.156 1.00 0.00 C ATOM 31 HA PRO A 4 -4.842 5.314 0.870 1.00 0.00 H ATOM 32 HB2 PRO A 4 -5.990 3.058 1.889 1.00 0.00 H ATOM 33 HB3 PRO A 4 -6.689 3.971 0.535 1.00 0.00 H ATOM 34 HG2 PRO A 4 -5.061 1.474 0.494 1.00 0.00 H ATOM 35 HG3 PRO A 4 -6.499 1.901 -0.453 1.00 0.00 H ATOM 36 HD2 PRO A 4 -3.970 2.061 -1.465 1.00 0.00 H ATOM 37 HD3 PRO A 4 -5.285 3.134 -1.993 1.00 0.00 H ATOM 38 N CYS A 5 -2.700 2.980 1.650 1.00 0.00 N ATOM 39 CA CYS A 5 -1.714 2.548 2.636 1.00 0.00 C ATOM 40 C CYS A 5 -0.572 3.550 2.747 1.00 0.00 C ATOM 41 O CYS A 5 0.038 3.927 1.748 1.00 0.00 O ATOM 42 CB CYS A 5 -1.143 1.186 2.239 1.00 0.00 C ATOM 43 SG CYS A 5 -2.063 -0.131 3.072 1.00 0.00 S ATOM 44 H CYS A 5 -2.698 2.570 0.761 1.00 0.00 H ATOM 45 HA CYS A 5 -2.195 2.455 3.597 1.00 0.00 H ATOM 46 HB2 CYS A 5 -1.230 1.058 1.170 1.00 0.00 H ATOM 47 HB3 CYS A 5 -0.102 1.136 2.526 1.00 0.00 H ATOM 48 N ILE A 6 -0.280 3.968 3.976 1.00 0.00 N ATOM 49 CA ILE A 6 0.800 4.918 4.215 1.00 0.00 C ATOM 50 C ILE A 6 2.137 4.321 3.792 1.00 0.00 C ATOM 51 O ILE A 6 2.935 4.976 3.125 1.00 0.00 O ATOM 52 CB ILE A 6 0.849 5.294 5.695 1.00 0.00 C ATOM 53 CG1 ILE A 6 -0.409 6.084 6.048 1.00 0.00 C ATOM 54 CG2 ILE A 6 2.083 6.157 5.962 1.00 0.00 C ATOM 55 CD1 ILE A 6 -0.497 6.254 7.565 1.00 0.00 C ATOM 56 H ILE A 6 -0.797 3.626 4.737 1.00 0.00 H ATOM 57 HA ILE A 6 0.618 5.810 3.635 1.00 0.00 H ATOM 58 HB ILE A 6 0.896 4.397 6.294 1.00 0.00 H ATOM 59 HG12 ILE A 6 -0.368 7.054 5.575 1.00 0.00 H ATOM 60 HG13 ILE A 6 -1.279 5.546 5.696 1.00 0.00 H ATOM 61 HG21 ILE A 6 2.048 6.528 6.976 1.00 0.00 H ATOM 62 HG22 ILE A 6 2.096 6.990 5.276 1.00 0.00 H ATOM 63 HG23 ILE A 6 2.975 5.565 5.827 1.00 0.00 H ATOM 64 HD11 ILE A 6 0.381 6.775 7.919 1.00 0.00 H ATOM 65 HD12 ILE A 6 -0.551 5.282 8.034 1.00 0.00 H ATOM 66 HD13 ILE A 6 -1.380 6.823 7.813 1.00 0.00 H ATOM 67 N TRP A 7 2.377 3.070 4.177 1.00 0.00 N ATOM 68 CA TRP A 7 3.623 2.401 3.821 1.00 0.00 C ATOM 69 C TRP A 7 3.355 1.325 2.762 1.00 0.00 C ATOM 70 O TRP A 7 2.724 0.308 3.059 1.00 0.00 O ATOM 71 CB TRP A 7 4.252 1.766 5.059 1.00 0.00 C ATOM 72 CG TRP A 7 4.526 2.830 6.071 1.00 0.00 C ATOM 73 CD1 TRP A 7 3.642 3.254 7.003 1.00 0.00 C ATOM 74 CD2 TRP A 7 5.741 3.611 6.271 1.00 0.00 C ATOM 75 NE1 TRP A 7 4.235 4.246 7.761 1.00 0.00 N ATOM 76 CE2 TRP A 7 5.527 4.502 7.350 1.00 0.00 C ATOM 77 CE3 TRP A 7 6.995 3.633 5.631 1.00 0.00 C ATOM 78 CZ2 TRP A 7 6.519 5.384 7.777 1.00 0.00 C ATOM 79 CZ3 TRP A 7 7.997 4.522 6.059 1.00 0.00 C ATOM 80 CH2 TRP A 7 7.760 5.395 7.130 1.00 0.00 C ATOM 81 H TRP A 7 1.705 2.590 4.704 1.00 0.00 H ATOM 82 HA TRP A 7 4.304 3.137 3.440 1.00 0.00 H ATOM 83 HB2 TRP A 7 3.569 1.038 5.474 1.00 0.00 H ATOM 84 HB3 TRP A 7 5.179 1.278 4.785 1.00 0.00 H ATOM 85 HD1 TRP A 7 2.638 2.879 7.133 1.00 0.00 H ATOM 86 HE1 TRP A 7 3.808 4.722 8.504 1.00 0.00 H ATOM 87 HE3 TRP A 7 7.188 2.965 4.805 1.00 0.00 H ATOM 88 HZ2 TRP A 7 6.334 6.053 8.604 1.00 0.00 H ATOM 89 HZ3 TRP A 7 8.955 4.532 5.560 1.00 0.00 H ATOM 90 HH2 TRP A 7 8.532 6.075 7.455 1.00 0.00 H ATOM 91 N PRO A 8 3.799 1.520 1.537 1.00 0.00 N ATOM 92 CA PRO A 8 3.567 0.532 0.441 1.00 0.00 C ATOM 93 C PRO A 8 4.315 -0.782 0.668 1.00 0.00 C ATOM 94 O PRO A 8 3.932 -1.824 0.134 1.00 0.00 O ATOM 95 CB PRO A 8 4.056 1.264 -0.817 1.00 0.00 C ATOM 96 CG PRO A 8 5.046 2.262 -0.330 1.00 0.00 C ATOM 97 CD PRO A 8 4.568 2.685 1.054 1.00 0.00 C ATOM 98 HA PRO A 8 2.515 0.329 0.349 1.00 0.00 H ATOM 99 HB2 PRO A 8 4.519 0.570 -1.499 1.00 0.00 H ATOM 100 HB3 PRO A 8 3.235 1.772 -1.302 1.00 0.00 H ATOM 101 HG2 PRO A 8 6.030 1.813 -0.270 1.00 0.00 H ATOM 102 HG3 PRO A 8 5.067 3.117 -0.986 1.00 0.00 H ATOM 103 HD2 PRO A 8 5.414 2.880 1.700 1.00 0.00 H ATOM 104 HD3 PRO A 8 3.929 3.554 0.989 1.00 0.00 H ATOM 105 N GLU A 9 5.372 -0.735 1.467 1.00 0.00 N ATOM 106 CA GLU A 9 6.144 -1.934 1.757 1.00 0.00 C ATOM 107 C GLU A 9 5.365 -2.866 2.690 1.00 0.00 C ATOM 108 O GLU A 9 5.651 -4.060 2.770 1.00 0.00 O ATOM 109 CB GLU A 9 7.477 -1.549 2.396 1.00 0.00 C ATOM 110 CG GLU A 9 7.243 -1.076 3.830 1.00 0.00 C ATOM 111 CD GLU A 9 8.518 -0.449 4.383 1.00 0.00 C ATOM 112 OE1 GLU A 9 8.939 0.562 3.846 1.00 0.00 O ATOM 113 OE2 GLU A 9 9.057 -0.991 5.334 1.00 0.00 O ATOM 114 H GLU A 9 5.634 0.116 1.875 1.00 0.00 H ATOM 115 HA GLU A 9 6.341 -2.455 0.832 1.00 0.00 H ATOM 116 HB2 GLU A 9 8.134 -2.404 2.401 1.00 0.00 H ATOM 117 HB3 GLU A 9 7.929 -0.751 1.827 1.00 0.00 H ATOM 118 HG2 GLU A 9 6.448 -0.346 3.843 1.00 0.00 H ATOM 119 HG3 GLU A 9 6.965 -1.919 4.445 1.00 0.00 H ATOM 120 N LEU A 10 4.379 -2.312 3.394 1.00 0.00 N ATOM 121 CA LEU A 10 3.567 -3.107 4.313 1.00 0.00 C ATOM 122 C LEU A 10 2.224 -3.481 3.677 1.00 0.00 C ATOM 123 O LEU A 10 1.429 -4.209 4.272 1.00 0.00 O ATOM 124 CB LEU A 10 3.324 -2.312 5.600 1.00 0.00 C ATOM 125 CG LEU A 10 4.667 -1.926 6.228 1.00 0.00 C ATOM 126 CD1 LEU A 10 4.426 -1.059 7.465 1.00 0.00 C ATOM 127 CD2 LEU A 10 5.430 -3.190 6.637 1.00 0.00 C ATOM 128 H LEU A 10 4.189 -1.357 3.294 1.00 0.00 H ATOM 129 HA LEU A 10 4.099 -4.013 4.556 1.00 0.00 H ATOM 130 HB2 LEU A 10 2.763 -1.414 5.368 1.00 0.00 H ATOM 131 HB3 LEU A 10 2.764 -2.917 6.297 1.00 0.00 H ATOM 132 HG LEU A 10 5.249 -1.369 5.509 1.00 0.00 H ATOM 133 HD11 LEU A 10 3.853 -1.619 8.190 1.00 0.00 H ATOM 134 HD12 LEU A 10 3.879 -0.172 7.180 1.00 0.00 H ATOM 135 HD13 LEU A 10 5.374 -0.776 7.895 1.00 0.00 H ATOM 136 HD21 LEU A 10 6.263 -2.919 7.269 1.00 0.00 H ATOM 137 HD22 LEU A 10 5.798 -3.691 5.754 1.00 0.00 H ATOM 138 HD23 LEU A 10 4.769 -3.852 7.177 1.00 0.00 H ATOM 139 N CYS A 11 1.979 -2.983 2.465 1.00 0.00 N ATOM 140 CA CYS A 11 0.733 -3.271 1.760 1.00 0.00 C ATOM 141 C CYS A 11 1.017 -3.758 0.340 1.00 0.00 C ATOM 142 O CYS A 11 0.722 -3.071 -0.637 1.00 0.00 O ATOM 143 CB CYS A 11 -0.135 -2.012 1.708 1.00 0.00 C ATOM 144 SG CYS A 11 -0.669 -1.561 3.377 1.00 0.00 S ATOM 145 H CYS A 11 2.643 -2.410 2.035 1.00 0.00 H ATOM 146 HA CYS A 11 0.195 -4.041 2.293 1.00 0.00 H ATOM 147 HB2 CYS A 11 0.440 -1.200 1.287 1.00 0.00 H ATOM 148 HB3 CYS A 11 -0.996 -2.196 1.091 1.00 0.00 H ATOM 149 N PRO A 12 1.578 -4.930 0.217 1.00 0.00 N ATOM 150 CA PRO A 12 1.913 -5.540 -1.105 1.00 0.00 C ATOM 151 C PRO A 12 0.663 -5.923 -1.895 1.00 0.00 C ATOM 152 O PRO A 12 0.702 -6.051 -3.119 1.00 0.00 O ATOM 153 CB PRO A 12 2.731 -6.780 -0.737 1.00 0.00 C ATOM 154 CG PRO A 12 2.320 -7.127 0.654 1.00 0.00 C ATOM 155 CD PRO A 12 1.947 -5.806 1.334 1.00 0.00 C ATOM 156 HA PRO A 12 2.524 -4.864 -1.678 1.00 0.00 H ATOM 157 HB2 PRO A 12 2.497 -7.594 -1.413 1.00 0.00 H ATOM 158 HB3 PRO A 12 3.787 -6.557 -0.767 1.00 0.00 H ATOM 159 HG2 PRO A 12 1.468 -7.795 0.635 1.00 0.00 H ATOM 160 HG3 PRO A 12 3.142 -7.585 1.181 1.00 0.00 H ATOM 161 HD2 PRO A 12 1.106 -5.945 2.000 1.00 0.00 H ATOM 162 HD3 PRO A 12 2.794 -5.398 1.862 1.00 0.00 H ATOM 163 N TRP A 13 -0.441 -6.099 -1.179 1.00 0.00 N ATOM 164 CA TRP A 13 -1.707 -6.468 -1.806 1.00 0.00 C ATOM 165 C TRP A 13 -2.392 -5.254 -2.440 1.00 0.00 C ATOM 166 O TRP A 13 -3.497 -5.369 -2.967 1.00 0.00 O ATOM 167 CB TRP A 13 -2.645 -7.121 -0.779 1.00 0.00 C ATOM 168 CG TRP A 13 -2.629 -6.340 0.496 1.00 0.00 C ATOM 169 CD1 TRP A 13 -3.343 -5.224 0.732 1.00 0.00 C ATOM 170 CD2 TRP A 13 -1.874 -6.609 1.713 1.00 0.00 C ATOM 171 NE1 TRP A 13 -3.053 -4.765 2.004 1.00 0.00 N ATOM 172 CE2 TRP A 13 -2.161 -5.591 2.653 1.00 0.00 C ATOM 173 CE3 TRP A 13 -0.973 -7.624 2.088 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -1.572 -5.576 3.918 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -0.384 -7.615 3.362 1.00 0.00 C ATOM 176 CH2 TRP A 13 -0.683 -6.593 4.275 1.00 0.00 C ATOM 177 H TRP A 13 -0.398 -5.979 -0.214 1.00 0.00 H ATOM 178 HA TRP A 13 -1.502 -7.188 -2.584 1.00 0.00 H ATOM 179 HB2 TRP A 13 -3.646 -7.140 -1.174 1.00 0.00 H ATOM 180 HB3 TRP A 13 -2.314 -8.131 -0.586 1.00 0.00 H ATOM 181 HD1 TRP A 13 -4.010 -4.748 0.031 1.00 0.00 H ATOM 182 HE1 TRP A 13 -3.436 -3.962 2.415 1.00 0.00 H ATOM 183 HE3 TRP A 13 -0.737 -8.414 1.393 1.00 0.00 H ATOM 184 HZ2 TRP A 13 -1.803 -4.785 4.615 1.00 0.00 H ATOM 185 HZ3 TRP A 13 0.306 -8.398 3.641 1.00 0.00 H ATOM 186 HH2 TRP A 13 -0.223 -6.590 5.252 1.00 0.00 H ATOM 187 N ILE A 14 -1.737 -4.094 -2.393 1.00 0.00 N ATOM 188 CA ILE A 14 -2.314 -2.886 -2.977 1.00 0.00 C ATOM 189 C ILE A 14 -1.542 -2.484 -4.235 1.00 0.00 C ATOM 190 O ILE A 14 -0.369 -2.108 -4.166 1.00 0.00 O ATOM 191 CB ILE A 14 -2.255 -1.747 -1.964 1.00 0.00 C ATOM 192 CG1 ILE A 14 -2.927 -2.168 -0.651 1.00 0.00 C ATOM 193 CG2 ILE A 14 -2.955 -0.515 -2.528 1.00 0.00 C ATOM 194 CD1 ILE A 14 -4.416 -2.459 -0.867 1.00 0.00 C ATOM 195 H ILE A 14 -0.858 -4.048 -1.966 1.00 0.00 H ATOM 196 HA ILE A 14 -3.340 -3.072 -3.243 1.00 0.00 H ATOM 197 HB ILE A 14 -1.229 -1.513 -1.770 1.00 0.00 H ATOM 198 HG12 ILE A 14 -2.436 -3.053 -0.282 1.00 0.00 H ATOM 199 HG13 ILE A 14 -2.814 -1.374 0.074 1.00 0.00 H ATOM 200 HG21 ILE A 14 -3.925 -0.792 -2.913 1.00 0.00 H ATOM 201 HG22 ILE A 14 -2.361 -0.099 -3.320 1.00 0.00 H ATOM 202 HG23 ILE A 14 -3.075 0.214 -1.744 1.00 0.00 H ATOM 203 HD11 ILE A 14 -4.855 -2.778 0.064 1.00 0.00 H ATOM 204 HD12 ILE A 14 -4.535 -3.238 -1.602 1.00 0.00 H ATOM 205 HD13 ILE A 14 -4.915 -1.561 -1.206 1.00 0.00 H ATOM 206 N ARG A 15 -2.213 -2.555 -5.379 1.00 0.00 N ATOM 207 CA ARG A 15 -1.593 -2.201 -6.652 1.00 0.00 C ATOM 208 C ARG A 15 -1.140 -0.748 -6.643 1.00 0.00 C ATOM 209 O ARG A 15 -0.154 -0.388 -7.283 1.00 0.00 O ATOM 210 CB ARG A 15 -2.599 -2.422 -7.783 1.00 0.00 C ATOM 211 CG ARG A 15 -3.756 -1.429 -7.642 1.00 0.00 C ATOM 212 CD ARG A 15 -4.787 -1.681 -8.741 1.00 0.00 C ATOM 213 NE ARG A 15 -4.218 -1.368 -10.045 1.00 0.00 N ATOM 214 CZ ARG A 15 -4.889 -1.602 -11.176 1.00 0.00 C ATOM 215 NH1 ARG A 15 -6.087 -2.128 -11.145 1.00 0.00 N ATOM 216 NH2 ARG A 15 -4.349 -1.299 -12.323 1.00 0.00 N ATOM 217 H ARG A 15 -3.145 -2.853 -5.370 1.00 0.00 H ATOM 218 HA ARG A 15 -0.736 -2.836 -6.819 1.00 0.00 H ATOM 219 HB2 ARG A 15 -2.111 -2.275 -8.736 1.00 0.00 H ATOM 220 HB3 ARG A 15 -2.985 -3.430 -7.728 1.00 0.00 H ATOM 221 HG2 ARG A 15 -4.221 -1.553 -6.677 1.00 0.00 H ATOM 222 HG3 ARG A 15 -3.382 -0.421 -7.735 1.00 0.00 H ATOM 223 HD2 ARG A 15 -5.085 -2.716 -8.720 1.00 0.00 H ATOM 224 HD3 ARG A 15 -5.652 -1.056 -8.567 1.00 0.00 H ATOM 225 HE ARG A 15 -3.320 -0.981 -10.091 1.00 0.00 H ATOM 226 HH11 ARG A 15 -6.515 -2.361 -10.273 1.00 0.00 H ATOM 227 HH12 ARG A 15 -6.577 -2.297 -11.999 1.00 0.00 H ATOM 228 HH21 ARG A 15 -3.436 -0.894 -12.353 1.00 0.00 H ATOM 229 HH22 ARG A 15 -4.849 -1.473 -13.172 1.00 0.00 H ATOM 230 N SER A 16 -1.869 0.079 -5.911 1.00 0.00 N ATOM 231 CA SER A 16 -1.541 1.491 -5.819 1.00 0.00 C ATOM 232 C SER A 16 -0.186 1.681 -5.141 1.00 0.00 C ATOM 233 O SER A 16 0.587 2.564 -5.513 1.00 0.00 O ATOM 234 CB SER A 16 -2.621 2.228 -5.033 1.00 0.00 C ATOM 235 OG SER A 16 -3.855 2.144 -5.736 1.00 0.00 O ATOM 236 H SER A 16 -2.646 -0.269 -5.420 1.00 0.00 H ATOM 237 HA SER A 16 -1.497 1.900 -6.816 1.00 0.00 H ATOM 238 HB2 SER A 16 -2.737 1.782 -4.063 1.00 0.00 H ATOM 239 HB3 SER A 16 -2.334 3.265 -4.915 1.00 0.00 H ATOM 240 HG SER A 16 -3.929 2.916 -6.300 1.00 0.00 H ATOM 241 N CYS A 17 0.082 0.850 -4.139 1.00 0.00 N ATOM 242 CA CYS A 17 1.335 0.923 -3.397 1.00 0.00 C ATOM 243 C CYS A 17 2.426 0.126 -4.107 1.00 0.00 C ATOM 244 O CYS A 17 3.604 0.235 -3.766 1.00 0.00 O ATOM 245 CB CYS A 17 1.121 0.362 -1.990 1.00 0.00 C ATOM 246 SG CYS A 17 0.645 1.694 -0.857 1.00 0.00 S ATOM 247 H CYS A 17 -0.575 0.167 -3.894 1.00 0.00 H ATOM 248 HA CYS A 17 1.645 1.952 -3.315 1.00 0.00 H ATOM 249 HB2 CYS A 17 0.338 -0.370 -2.023 1.00 0.00 H ATOM 250 HB3 CYS A 17 2.026 -0.104 -1.642 1.00 0.00 H HETATM 251 N NH2 A 18 2.100 -0.677 -5.085 1.00 0.00 N HETATM 252 HN1 NH2 A 18 1.160 -0.764 -5.355 1.00 0.00 H HETATM 253 HN2 NH2 A 18 2.796 -1.194 -5.548 1.00 0.00 H TER 254 NH2 A 18