HETATM 1 C ACE A 1 -6.301 -3.958 7.488 1.00 0.00 C HETATM 2 O ACE A 1 -6.979 -2.978 7.252 1.00 0.00 O HETATM 3 CH3 ACE A 1 -6.881 -5.370 7.373 1.00 0.00 C HETATM 4 H1 ACE A 1 -6.273 -6.057 7.943 1.00 0.00 H HETATM 5 H2 ACE A 1 -6.887 -5.673 6.336 1.00 0.00 H HETATM 6 H3 ACE A 1 -7.889 -5.377 7.757 1.00 0.00 H ATOM 7 N CYS A 2 -5.050 -3.848 7.853 1.00 0.00 N ATOM 8 CA CYS A 2 -4.420 -2.504 7.993 1.00 0.00 C ATOM 9 C CYS A 2 -4.573 -1.694 6.700 1.00 0.00 C ATOM 10 O CYS A 2 -3.842 -1.887 5.747 1.00 0.00 O ATOM 11 CB CYS A 2 -2.944 -2.785 8.275 1.00 0.00 C ATOM 12 SG CYS A 2 -2.676 -2.877 10.064 1.00 0.00 S ATOM 13 H CYS A 2 -4.526 -4.650 8.044 1.00 0.00 H ATOM 14 HA CYS A 2 -4.857 -1.977 8.824 1.00 0.00 H ATOM 15 HB2 CYS A 2 -2.662 -3.724 7.822 1.00 0.00 H ATOM 16 HB3 CYS A 2 -2.339 -1.990 7.862 1.00 0.00 H ATOM 17 N ARG A 3 -5.516 -0.790 6.661 1.00 0.00 N ATOM 18 CA ARG A 3 -5.715 0.035 5.432 1.00 0.00 C ATOM 19 C ARG A 3 -5.342 1.496 5.707 1.00 0.00 C ATOM 20 O ARG A 3 -5.893 2.407 5.121 1.00 0.00 O ATOM 21 CB ARG A 3 -7.206 -0.085 5.112 1.00 0.00 C ATOM 22 CG ARG A 3 -7.477 -1.428 4.431 1.00 0.00 C ATOM 23 CD ARG A 3 -8.500 -1.239 3.308 1.00 0.00 C ATOM 24 NE ARG A 3 -7.688 -1.016 2.076 1.00 0.00 N ATOM 25 CZ ARG A 3 -8.281 -0.881 0.921 1.00 0.00 C ATOM 26 NH1 ARG A 3 -9.021 0.168 0.685 1.00 0.00 N ATOM 27 NH2 ARG A 3 -8.132 -1.794 -0.001 1.00 0.00 N ATOM 28 H ARG A 3 -6.092 -0.652 7.442 1.00 0.00 H ATOM 29 HA ARG A 3 -5.131 -0.356 4.616 1.00 0.00 H ATOM 30 HB2 ARG A 3 -7.776 -0.024 6.029 1.00 0.00 H ATOM 31 HB3 ARG A 3 -7.497 0.717 4.451 1.00 0.00 H ATOM 32 HG2 ARG A 3 -6.556 -1.817 4.019 1.00 0.00 H ATOM 33 HG3 ARG A 3 -7.867 -2.128 5.156 1.00 0.00 H ATOM 34 HD2 ARG A 3 -9.109 -2.126 3.202 1.00 0.00 H ATOM 35 HD3 ARG A 3 -9.118 -0.377 3.503 1.00 0.00 H ATOM 36 HE ARG A 3 -6.711 -0.970 2.134 1.00 0.00 H ATOM 37 HH11 ARG A 3 -9.136 0.868 1.391 1.00 0.00 H ATOM 38 HH12 ARG A 3 -9.475 0.271 -0.200 1.00 0.00 H ATOM 39 HH21 ARG A 3 -7.565 -2.598 0.180 1.00 0.00 H ATOM 40 HH22 ARG A 3 -8.587 -1.690 -0.885 1.00 0.00 H ATOM 41 N TRP A 4 -4.414 1.722 6.600 1.00 0.00 N ATOM 42 CA TRP A 4 -3.998 3.121 6.930 1.00 0.00 C ATOM 43 C TRP A 4 -2.541 3.356 6.524 1.00 0.00 C ATOM 44 O TRP A 4 -1.726 3.789 7.318 1.00 0.00 O ATOM 45 CB TRP A 4 -4.160 3.213 8.446 1.00 0.00 C ATOM 46 CG TRP A 4 -4.673 4.569 8.821 1.00 0.00 C ATOM 47 CD1 TRP A 4 -5.716 5.202 8.232 1.00 0.00 C ATOM 48 CD2 TRP A 4 -4.182 5.467 9.854 1.00 0.00 C ATOM 49 NE1 TRP A 4 -5.888 6.434 8.836 1.00 0.00 N ATOM 50 CE2 TRP A 4 -4.969 6.640 9.848 1.00 0.00 C ATOM 51 CE3 TRP A 4 -3.139 5.371 10.789 1.00 0.00 C ATOM 52 CZ2 TRP A 4 -4.725 7.687 10.738 1.00 0.00 C ATOM 53 CZ3 TRP A 4 -2.892 6.420 11.687 1.00 0.00 C ATOM 54 CH2 TRP A 4 -3.684 7.576 11.664 1.00 0.00 C ATOM 55 H TRP A 4 -3.990 0.969 7.060 1.00 0.00 H ATOM 56 HA TRP A 4 -4.640 3.844 6.446 1.00 0.00 H ATOM 57 HB2 TRP A 4 -4.859 2.459 8.776 1.00 0.00 H ATOM 58 HB3 TRP A 4 -3.203 3.046 8.919 1.00 0.00 H ATOM 59 HD1 TRP A 4 -6.308 4.812 7.418 1.00 0.00 H ATOM 60 HE1 TRP A 4 -6.575 7.093 8.595 1.00 0.00 H ATOM 61 HE3 TRP A 4 -2.523 4.484 10.815 1.00 0.00 H ATOM 62 HZ2 TRP A 4 -5.339 8.578 10.716 1.00 0.00 H ATOM 63 HZ3 TRP A 4 -2.088 6.334 12.400 1.00 0.00 H ATOM 64 HH2 TRP A 4 -3.487 8.381 12.359 1.00 0.00 H ATOM 65 N LEU A 5 -2.211 3.081 5.293 1.00 0.00 N ATOM 66 CA LEU A 5 -0.810 3.296 4.823 1.00 0.00 C ATOM 67 C LEU A 5 -0.665 4.698 4.223 1.00 0.00 C ATOM 68 O LEU A 5 -0.205 4.862 3.110 1.00 0.00 O ATOM 69 CB LEU A 5 -0.584 2.223 3.757 1.00 0.00 C ATOM 70 CG LEU A 5 -0.729 0.835 4.389 1.00 0.00 C ATOM 71 CD1 LEU A 5 -1.384 -0.119 3.388 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.653 0.300 4.770 1.00 0.00 C ATOM 73 H LEU A 5 -2.889 2.743 4.670 1.00 0.00 H ATOM 74 HA LEU A 5 -0.116 3.158 5.639 1.00 0.00 H ATOM 75 HB2 LEU A 5 -1.315 2.338 2.969 1.00 0.00 H ATOM 76 HB3 LEU A 5 0.408 2.325 3.344 1.00 0.00 H ATOM 77 HG LEU A 5 -1.346 0.906 5.273 1.00 0.00 H ATOM 78 HD11 LEU A 5 -1.156 -1.138 3.662 1.00 0.00 H ATOM 79 HD12 LEU A 5 -1.003 0.082 2.398 1.00 0.00 H ATOM 80 HD13 LEU A 5 -2.454 0.027 3.400 1.00 0.00 H ATOM 81 HD21 LEU A 5 0.575 -0.745 5.031 1.00 0.00 H ATOM 82 HD22 LEU A 5 1.033 0.854 5.617 1.00 0.00 H ATOM 83 HD23 LEU A 5 1.326 0.414 3.935 1.00 0.00 H ATOM 84 N ARG A 6 -1.053 5.712 4.953 1.00 0.00 N ATOM 85 CA ARG A 6 -0.953 7.105 4.416 1.00 0.00 C ATOM 86 C ARG A 6 0.494 7.425 4.033 1.00 0.00 C ATOM 87 O ARG A 6 0.750 8.222 3.148 1.00 0.00 O ATOM 88 CB ARG A 6 -1.395 7.999 5.577 1.00 0.00 C ATOM 89 CG ARG A 6 -1.740 9.397 5.053 1.00 0.00 C ATOM 90 CD ARG A 6 -1.418 10.445 6.127 1.00 0.00 C ATOM 91 NE ARG A 6 -0.460 11.383 5.478 1.00 0.00 N ATOM 92 CZ ARG A 6 -0.876 12.537 5.030 1.00 0.00 C ATOM 93 NH1 ARG A 6 -1.583 12.596 3.934 1.00 0.00 N ATOM 94 NH2 ARG A 6 -0.587 13.632 5.678 1.00 0.00 N ATOM 95 H ARG A 6 -1.425 5.556 5.848 1.00 0.00 H ATOM 96 HA ARG A 6 -1.609 7.239 3.575 1.00 0.00 H ATOM 97 HB2 ARG A 6 -2.264 7.568 6.053 1.00 0.00 H ATOM 98 HB3 ARG A 6 -0.593 8.076 6.292 1.00 0.00 H ATOM 99 HG2 ARG A 6 -1.162 9.602 4.165 1.00 0.00 H ATOM 100 HG3 ARG A 6 -2.793 9.444 4.817 1.00 0.00 H ATOM 101 HD2 ARG A 6 -2.318 10.968 6.423 1.00 0.00 H ATOM 102 HD3 ARG A 6 -0.956 9.979 6.985 1.00 0.00 H ATOM 103 HE ARG A 6 0.483 11.134 5.385 1.00 0.00 H ATOM 104 HH11 ARG A 6 -1.805 11.757 3.436 1.00 0.00 H ATOM 105 HH12 ARG A 6 -1.902 13.480 3.592 1.00 0.00 H ATOM 106 HH21 ARG A 6 -0.046 13.588 6.518 1.00 0.00 H ATOM 107 HH22 ARG A 6 -0.906 14.516 5.336 1.00 0.00 H ATOM 108 N GLY A 7 1.439 6.799 4.680 1.00 0.00 N ATOM 109 CA GLY A 7 2.874 7.048 4.345 1.00 0.00 C ATOM 110 C GLY A 7 3.649 5.734 4.460 1.00 0.00 C ATOM 111 O GLY A 7 4.810 5.717 4.820 1.00 0.00 O ATOM 112 H GLY A 7 1.207 6.158 5.381 1.00 0.00 H ATOM 113 HA2 GLY A 7 2.948 7.422 3.332 1.00 0.00 H ATOM 114 HA3 GLY A 7 3.291 7.772 5.029 1.00 0.00 H ATOM 115 N ASP A 8 3.002 4.634 4.154 1.00 0.00 N ATOM 116 CA ASP A 8 3.662 3.284 4.229 1.00 0.00 C ATOM 117 C ASP A 8 4.602 3.170 5.441 1.00 0.00 C ATOM 118 O ASP A 8 5.606 2.487 5.396 1.00 0.00 O ATOM 119 CB ASP A 8 4.430 3.115 2.913 1.00 0.00 C ATOM 120 CG ASP A 8 5.540 4.162 2.801 1.00 0.00 C ATOM 121 OD1 ASP A 8 6.463 4.104 3.597 1.00 0.00 O ATOM 122 OD2 ASP A 8 5.450 4.997 1.917 1.00 0.00 O ATOM 123 H ASP A 8 2.060 4.694 3.867 1.00 0.00 H ATOM 124 HA ASP A 8 2.903 2.522 4.297 1.00 0.00 H ATOM 125 HB2 ASP A 8 4.868 2.128 2.883 1.00 0.00 H ATOM 126 HB3 ASP A 8 3.749 3.227 2.083 1.00 0.00 H ATOM 127 N TRP A 9 4.272 3.824 6.522 1.00 0.00 N ATOM 128 CA TRP A 9 5.129 3.749 7.744 1.00 0.00 C ATOM 129 C TRP A 9 4.768 2.510 8.559 1.00 0.00 C ATOM 130 O TRP A 9 5.530 1.568 8.665 1.00 0.00 O ATOM 131 CB TRP A 9 4.820 5.018 8.523 1.00 0.00 C ATOM 132 CG TRP A 9 6.102 5.793 8.681 1.00 0.00 C ATOM 133 CD1 TRP A 9 6.508 6.818 7.889 1.00 0.00 C ATOM 134 CD2 TRP A 9 7.170 5.589 9.654 1.00 0.00 C ATOM 135 NE1 TRP A 9 7.734 7.277 8.344 1.00 0.00 N ATOM 136 CE2 TRP A 9 8.183 6.552 9.427 1.00 0.00 C ATOM 137 CE3 TRP A 9 7.351 4.680 10.712 1.00 0.00 C ATOM 138 CZ2 TRP A 9 9.329 6.611 10.220 1.00 0.00 C ATOM 139 CZ3 TRP A 9 8.507 4.734 11.510 1.00 0.00 C ATOM 140 CH2 TRP A 9 9.492 5.700 11.265 1.00 0.00 C ATOM 141 H TRP A 9 3.454 4.363 6.537 1.00 0.00 H ATOM 142 HA TRP A 9 6.169 3.737 7.484 1.00 0.00 H ATOM 143 HB2 TRP A 9 4.085 5.603 7.986 1.00 0.00 H ATOM 144 HB3 TRP A 9 4.429 4.757 9.497 1.00 0.00 H ATOM 145 HD1 TRP A 9 5.964 7.216 7.048 1.00 0.00 H ATOM 146 HE1 TRP A 9 8.239 8.024 7.957 1.00 0.00 H ATOM 147 HE3 TRP A 9 6.604 3.925 10.903 1.00 0.00 H ATOM 148 HZ2 TRP A 9 10.086 7.357 10.028 1.00 0.00 H ATOM 149 HZ3 TRP A 9 8.636 4.030 12.320 1.00 0.00 H ATOM 150 HH2 TRP A 9 10.377 5.737 11.883 1.00 0.00 H ATOM 151 N ARG A 10 3.608 2.518 9.137 1.00 0.00 N ATOM 152 CA ARG A 10 3.158 1.354 9.959 1.00 0.00 C ATOM 153 C ARG A 10 2.804 0.164 9.058 1.00 0.00 C ATOM 154 O ARG A 10 1.649 -0.091 8.776 1.00 0.00 O ATOM 155 CB ARG A 10 1.918 1.854 10.703 1.00 0.00 C ATOM 156 CG ARG A 10 2.340 2.466 12.041 1.00 0.00 C ATOM 157 CD ARG A 10 1.447 3.667 12.361 1.00 0.00 C ATOM 158 NE ARG A 10 1.836 4.078 13.739 1.00 0.00 N ATOM 159 CZ ARG A 10 1.004 4.766 14.474 1.00 0.00 C ATOM 160 NH1 ARG A 10 0.601 5.942 14.076 1.00 0.00 N ATOM 161 NH2 ARG A 10 0.575 4.277 15.605 1.00 0.00 N ATOM 162 H ARG A 10 3.028 3.297 9.026 1.00 0.00 H ATOM 163 HA ARG A 10 3.923 1.076 10.667 1.00 0.00 H ATOM 164 HB2 ARG A 10 1.417 2.602 10.104 1.00 0.00 H ATOM 165 HB3 ARG A 10 1.246 1.027 10.883 1.00 0.00 H ATOM 166 HG2 ARG A 10 2.243 1.725 12.821 1.00 0.00 H ATOM 167 HG3 ARG A 10 3.368 2.791 11.979 1.00 0.00 H ATOM 168 HD2 ARG A 10 1.632 4.469 11.659 1.00 0.00 H ATOM 169 HD3 ARG A 10 0.407 3.379 12.340 1.00 0.00 H ATOM 170 HE ARG A 10 2.715 3.833 14.094 1.00 0.00 H ATOM 171 HH11 ARG A 10 0.929 6.317 13.209 1.00 0.00 H ATOM 172 HH12 ARG A 10 -0.036 6.469 14.639 1.00 0.00 H ATOM 173 HH21 ARG A 10 0.884 3.376 15.910 1.00 0.00 H ATOM 174 HH22 ARG A 10 -0.061 4.804 16.169 1.00 0.00 H ATOM 175 N GLN A 11 3.791 -0.565 8.606 1.00 0.00 N ATOM 176 CA GLN A 11 3.514 -1.739 7.724 1.00 0.00 C ATOM 177 C GLN A 11 3.000 -2.923 8.550 1.00 0.00 C ATOM 178 O GLN A 11 3.665 -3.401 9.449 1.00 0.00 O ATOM 179 CB GLN A 11 4.861 -2.078 7.086 1.00 0.00 C ATOM 180 CG GLN A 11 5.112 -1.148 5.895 1.00 0.00 C ATOM 181 CD GLN A 11 6.617 -0.929 5.726 1.00 0.00 C ATOM 182 OE1 GLN A 11 7.249 -1.577 4.916 1.00 0.00 O ATOM 183 NE2 GLN A 11 7.221 -0.036 6.462 1.00 0.00 N ATOM 184 H GLN A 11 4.714 -0.341 8.847 1.00 0.00 H ATOM 185 HA GLN A 11 2.801 -1.475 6.958 1.00 0.00 H ATOM 186 HB2 GLN A 11 5.647 -1.948 7.817 1.00 0.00 H ATOM 187 HB3 GLN A 11 4.851 -3.102 6.745 1.00 0.00 H ATOM 188 HG2 GLN A 11 4.709 -1.596 4.999 1.00 0.00 H ATOM 189 HG3 GLN A 11 4.630 -0.198 6.072 1.00 0.00 H ATOM 190 HE21 GLN A 11 6.711 0.487 7.116 1.00 0.00 H ATOM 191 HE22 GLN A 11 8.184 0.112 6.361 1.00 0.00 H ATOM 192 N CYS A 12 1.821 -3.400 8.249 1.00 0.00 N ATOM 193 CA CYS A 12 1.263 -4.559 9.008 1.00 0.00 C ATOM 194 C CYS A 12 1.626 -5.876 8.312 1.00 0.00 C ATOM 195 O CYS A 12 1.113 -6.184 7.254 1.00 0.00 O ATOM 196 CB CYS A 12 -0.249 -4.342 9.006 1.00 0.00 C ATOM 197 SG CYS A 12 -0.678 -3.104 10.254 1.00 0.00 S ATOM 198 H CYS A 12 1.304 -3.001 7.518 1.00 0.00 H ATOM 199 HA CYS A 12 1.633 -4.557 10.021 1.00 0.00 H ATOM 200 HB2 CYS A 12 -0.563 -3.996 8.032 1.00 0.00 H ATOM 201 HB3 CYS A 12 -0.748 -5.272 9.236 1.00 0.00 H HETATM 202 N NH2 A 13 2.494 -6.679 8.867 1.00 0.00 N HETATM 203 HN1 NH2 A 13 2.913 -6.437 9.719 1.00 0.00 H HETATM 204 HN2 NH2 A 13 2.724 -7.527 8.432 1.00 0.00 H TER 205 NH2 A 13