HETATM 1 C ACE A 1 -8.308 4.372 14.317 1.00 0.00 C HETATM 2 O ACE A 1 -7.495 5.146 14.781 1.00 0.00 O HETATM 3 CH3 ACE A 1 -9.658 4.139 14.997 1.00 0.00 C HETATM 4 H1 ACE A 1 -9.768 3.089 15.227 1.00 0.00 H HETATM 5 H2 ACE A 1 -10.453 4.447 14.335 1.00 0.00 H HETATM 6 H3 ACE A 1 -9.706 4.715 15.910 1.00 0.00 H ATOM 7 N CYS A 2 -8.065 3.707 13.216 1.00 0.00 N ATOM 8 CA CYS A 2 -6.777 3.884 12.501 1.00 0.00 C ATOM 9 C CYS A 2 -7.016 4.034 10.996 1.00 0.00 C ATOM 10 O CYS A 2 -8.045 3.644 10.478 1.00 0.00 O ATOM 11 CB CYS A 2 -5.982 2.611 12.790 1.00 0.00 C ATOM 12 SG CYS A 2 -5.335 2.668 14.478 1.00 0.00 S ATOM 13 H CYS A 2 -8.728 3.097 12.863 1.00 0.00 H ATOM 14 HA CYS A 2 -6.262 4.737 12.886 1.00 0.00 H ATOM 15 HB2 CYS A 2 -6.626 1.752 12.679 1.00 0.00 H ATOM 16 HB3 CYS A 2 -5.159 2.537 12.093 1.00 0.00 H ATOM 17 N ARG A 3 -6.075 4.603 10.293 1.00 0.00 N ATOM 18 CA ARG A 3 -6.244 4.781 8.824 1.00 0.00 C ATOM 19 C ARG A 3 -5.373 3.778 8.059 1.00 0.00 C ATOM 20 O ARG A 3 -4.779 2.890 8.637 1.00 0.00 O ATOM 21 CB ARG A 3 -5.790 6.214 8.548 1.00 0.00 C ATOM 22 CG ARG A 3 -6.964 7.168 8.781 1.00 0.00 C ATOM 23 CD ARG A 3 -6.780 8.426 7.931 1.00 0.00 C ATOM 24 NE ARG A 3 -7.281 8.050 6.581 1.00 0.00 N ATOM 25 CZ ARG A 3 -8.493 8.377 6.221 1.00 0.00 C ATOM 26 NH1 ARG A 3 -9.499 7.619 6.556 1.00 0.00 N ATOM 27 NH2 ARG A 3 -8.695 9.463 5.526 1.00 0.00 N ATOM 28 H ARG A 3 -5.255 4.913 10.733 1.00 0.00 H ATOM 29 HA ARG A 3 -7.279 4.664 8.552 1.00 0.00 H ATOM 30 HB2 ARG A 3 -4.978 6.470 9.213 1.00 0.00 H ATOM 31 HB3 ARG A 3 -5.459 6.297 7.524 1.00 0.00 H ATOM 32 HG2 ARG A 3 -7.885 6.677 8.503 1.00 0.00 H ATOM 33 HG3 ARG A 3 -7.003 7.442 9.824 1.00 0.00 H ATOM 34 HD2 ARG A 3 -7.361 9.241 8.339 1.00 0.00 H ATOM 35 HD3 ARG A 3 -5.736 8.694 7.877 1.00 0.00 H ATOM 36 HE ARG A 3 -6.702 7.557 5.962 1.00 0.00 H ATOM 37 HH11 ARG A 3 -9.344 6.786 7.089 1.00 0.00 H ATOM 38 HH12 ARG A 3 -10.428 7.869 6.281 1.00 0.00 H ATOM 39 HH21 ARG A 3 -7.923 10.044 5.270 1.00 0.00 H ATOM 40 HH22 ARG A 3 -9.623 9.713 5.250 1.00 0.00 H ATOM 41 N TRP A 4 -5.282 3.923 6.762 1.00 0.00 N ATOM 42 CA TRP A 4 -4.447 2.982 5.951 1.00 0.00 C ATOM 43 C TRP A 4 -2.988 3.440 5.956 1.00 0.00 C ATOM 44 O TRP A 4 -2.598 4.290 6.732 1.00 0.00 O ATOM 45 CB TRP A 4 -5.017 3.069 4.534 1.00 0.00 C ATOM 46 CG TRP A 4 -6.173 2.127 4.392 1.00 0.00 C ATOM 47 CD1 TRP A 4 -6.196 0.850 4.842 1.00 0.00 C ATOM 48 CD2 TRP A 4 -7.468 2.360 3.764 1.00 0.00 C ATOM 49 NE1 TRP A 4 -7.425 0.292 4.540 1.00 0.00 N ATOM 50 CE2 TRP A 4 -8.242 1.180 3.874 1.00 0.00 C ATOM 51 CE3 TRP A 4 -8.042 3.469 3.120 1.00 0.00 C ATOM 52 CZ2 TRP A 4 -9.537 1.103 3.362 1.00 0.00 C ATOM 53 CZ3 TRP A 4 -9.345 3.396 2.603 1.00 0.00 C ATOM 54 CH2 TRP A 4 -10.090 2.215 2.724 1.00 0.00 C ATOM 55 H TRP A 4 -5.765 4.654 6.319 1.00 0.00 H ATOM 56 HA TRP A 4 -4.533 1.969 6.323 1.00 0.00 H ATOM 57 HB2 TRP A 4 -5.350 4.080 4.343 1.00 0.00 H ATOM 58 HB3 TRP A 4 -4.249 2.805 3.823 1.00 0.00 H ATOM 59 HD1 TRP A 4 -5.390 0.351 5.360 1.00 0.00 H ATOM 60 HE1 TRP A 4 -7.700 -0.622 4.761 1.00 0.00 H ATOM 61 HE3 TRP A 4 -7.475 4.382 3.022 1.00 0.00 H ATOM 62 HZ2 TRP A 4 -10.106 0.192 3.459 1.00 0.00 H ATOM 63 HZ3 TRP A 4 -9.776 4.255 2.107 1.00 0.00 H ATOM 64 HH2 TRP A 4 -11.091 2.165 2.324 1.00 0.00 H ATOM 65 N LEU A 5 -2.179 2.890 5.088 1.00 0.00 N ATOM 66 CA LEU A 5 -0.747 3.306 5.037 1.00 0.00 C ATOM 67 C LEU A 5 -0.637 4.645 4.306 1.00 0.00 C ATOM 68 O LEU A 5 -0.269 4.704 3.149 1.00 0.00 O ATOM 69 CB LEU A 5 -0.041 2.203 4.242 1.00 0.00 C ATOM 70 CG LEU A 5 -0.083 0.890 5.027 1.00 0.00 C ATOM 71 CD1 LEU A 5 -0.077 -0.286 4.048 1.00 0.00 C ATOM 72 CD2 LEU A 5 1.144 0.802 5.935 1.00 0.00 C ATOM 73 H LEU A 5 -2.517 2.210 4.469 1.00 0.00 H ATOM 74 HA LEU A 5 -0.332 3.375 6.032 1.00 0.00 H ATOM 75 HB2 LEU A 5 -0.540 2.072 3.294 1.00 0.00 H ATOM 76 HB3 LEU A 5 0.987 2.486 4.071 1.00 0.00 H ATOM 77 HG LEU A 5 -0.982 0.857 5.626 1.00 0.00 H ATOM 78 HD11 LEU A 5 -0.209 -1.209 4.594 1.00 0.00 H ATOM 79 HD12 LEU A 5 0.866 -0.310 3.521 1.00 0.00 H ATOM 80 HD13 LEU A 5 -0.882 -0.169 3.339 1.00 0.00 H ATOM 81 HD21 LEU A 5 1.312 -0.228 6.214 1.00 0.00 H ATOM 82 HD22 LEU A 5 0.978 1.393 6.824 1.00 0.00 H ATOM 83 HD23 LEU A 5 2.010 1.177 5.409 1.00 0.00 H ATOM 84 N ARG A 6 -0.956 5.722 4.975 1.00 0.00 N ATOM 85 CA ARG A 6 -0.891 7.061 4.317 1.00 0.00 C ATOM 86 C ARG A 6 0.560 7.413 4.000 1.00 0.00 C ATOM 87 O ARG A 6 0.843 8.130 3.062 1.00 0.00 O ATOM 88 CB ARG A 6 -1.456 8.030 5.355 1.00 0.00 C ATOM 89 CG ARG A 6 -1.985 9.284 4.659 1.00 0.00 C ATOM 90 CD ARG A 6 -1.973 10.454 5.647 1.00 0.00 C ATOM 91 NE ARG A 6 -1.706 11.659 4.817 1.00 0.00 N ATOM 92 CZ ARG A 6 -0.498 11.901 4.387 1.00 0.00 C ATOM 93 NH1 ARG A 6 0.368 12.489 5.168 1.00 0.00 N ATOM 94 NH2 ARG A 6 -0.153 11.554 3.177 1.00 0.00 N ATOM 95 H ARG A 6 -1.251 5.646 5.908 1.00 0.00 H ATOM 96 HA ARG A 6 -1.496 7.079 3.423 1.00 0.00 H ATOM 97 HB2 ARG A 6 -2.261 7.548 5.893 1.00 0.00 H ATOM 98 HB3 ARG A 6 -0.677 8.307 6.048 1.00 0.00 H ATOM 99 HG2 ARG A 6 -1.357 9.518 3.812 1.00 0.00 H ATOM 100 HG3 ARG A 6 -2.996 9.110 4.322 1.00 0.00 H ATOM 101 HD2 ARG A 6 -2.933 10.538 6.141 1.00 0.00 H ATOM 102 HD3 ARG A 6 -1.186 10.323 6.374 1.00 0.00 H ATOM 103 HE ARG A 6 -2.437 12.273 4.594 1.00 0.00 H ATOM 104 HH11 ARG A 6 0.104 12.756 6.095 1.00 0.00 H ATOM 105 HH12 ARG A 6 1.293 12.675 4.839 1.00 0.00 H ATOM 106 HH21 ARG A 6 -0.816 11.103 2.579 1.00 0.00 H ATOM 107 HH22 ARG A 6 0.773 11.739 2.849 1.00 0.00 H ATOM 108 N GLY A 7 1.477 6.893 4.765 1.00 0.00 N ATOM 109 CA GLY A 7 2.919 7.170 4.508 1.00 0.00 C ATOM 110 C GLY A 7 3.673 5.843 4.481 1.00 0.00 C ATOM 111 O GLY A 7 4.846 5.780 4.792 1.00 0.00 O ATOM 112 H GLY A 7 1.220 6.307 5.508 1.00 0.00 H ATOM 113 HA2 GLY A 7 3.035 7.673 3.553 1.00 0.00 H ATOM 114 HA3 GLY A 7 3.316 7.793 5.296 1.00 0.00 H ATOM 115 N ASP A 8 3.009 4.775 4.106 1.00 0.00 N ATOM 116 CA ASP A 8 3.693 3.445 4.054 1.00 0.00 C ATOM 117 C ASP A 8 4.347 3.122 5.405 1.00 0.00 C ATOM 118 O ASP A 8 5.301 2.374 5.478 1.00 0.00 O ATOM 119 CB ASP A 8 4.760 3.580 2.964 1.00 0.00 C ATOM 120 CG ASP A 8 4.121 3.360 1.593 1.00 0.00 C ATOM 121 OD1 ASP A 8 3.369 2.409 1.457 1.00 0.00 O ATOM 122 OD2 ASP A 8 4.395 4.147 0.702 1.00 0.00 O ATOM 123 H ASP A 8 2.058 4.847 3.853 1.00 0.00 H ATOM 124 HA ASP A 8 2.992 2.672 3.785 1.00 0.00 H ATOM 125 HB2 ASP A 8 5.194 4.568 3.005 1.00 0.00 H ATOM 126 HB3 ASP A 8 5.532 2.842 3.122 1.00 0.00 H ATOM 127 N TRP A 9 3.842 3.683 6.471 1.00 0.00 N ATOM 128 CA TRP A 9 4.436 3.411 7.814 1.00 0.00 C ATOM 129 C TRP A 9 3.871 2.112 8.405 1.00 0.00 C ATOM 130 O TRP A 9 3.336 1.280 7.701 1.00 0.00 O ATOM 131 CB TRP A 9 4.048 4.610 8.665 1.00 0.00 C ATOM 132 CG TRP A 9 5.304 5.160 9.288 1.00 0.00 C ATOM 133 CD1 TRP A 9 5.789 4.820 10.508 1.00 0.00 C ATOM 134 CD2 TRP A 9 6.263 6.107 8.722 1.00 0.00 C ATOM 135 NE1 TRP A 9 6.960 5.523 10.738 1.00 0.00 N ATOM 136 CE2 TRP A 9 7.294 6.328 9.668 1.00 0.00 C ATOM 137 CE3 TRP A 9 6.334 6.799 7.498 1.00 0.00 C ATOM 138 CZ2 TRP A 9 8.351 7.200 9.410 1.00 0.00 C ATOM 139 CZ3 TRP A 9 7.401 7.676 7.236 1.00 0.00 C ATOM 140 CH2 TRP A 9 8.405 7.878 8.190 1.00 0.00 C ATOM 141 H TRP A 9 3.075 4.287 6.388 1.00 0.00 H ATOM 142 HA TRP A 9 5.514 3.361 7.752 1.00 0.00 H ATOM 143 HB2 TRP A 9 3.582 5.362 8.039 1.00 0.00 H ATOM 144 HB3 TRP A 9 3.353 4.303 9.433 1.00 0.00 H ATOM 145 HD1 TRP A 9 5.338 4.122 11.192 1.00 0.00 H ATOM 146 HE1 TRP A 9 7.501 5.469 11.554 1.00 0.00 H ATOM 147 HE3 TRP A 9 5.572 6.644 6.751 1.00 0.00 H ATOM 148 HZ2 TRP A 9 9.124 7.352 10.148 1.00 0.00 H ATOM 149 HZ3 TRP A 9 7.444 8.201 6.292 1.00 0.00 H ATOM 150 HH2 TRP A 9 9.222 8.552 7.983 1.00 0.00 H ATOM 151 N ARG A 10 3.993 1.935 9.697 1.00 0.00 N ATOM 152 CA ARG A 10 3.475 0.688 10.346 1.00 0.00 C ATOM 153 C ARG A 10 1.945 0.636 10.276 1.00 0.00 C ATOM 154 O ARG A 10 1.276 1.650 10.324 1.00 0.00 O ATOM 155 CB ARG A 10 3.930 0.785 11.802 1.00 0.00 C ATOM 156 CG ARG A 10 3.333 2.044 12.438 1.00 0.00 C ATOM 157 CD ARG A 10 3.792 2.161 13.890 1.00 0.00 C ATOM 158 NE ARG A 10 3.875 3.625 14.138 1.00 0.00 N ATOM 159 CZ ARG A 10 3.658 4.097 15.332 1.00 0.00 C ATOM 160 NH1 ARG A 10 2.581 3.753 15.983 1.00 0.00 N ATOM 161 NH2 ARG A 10 4.518 4.914 15.876 1.00 0.00 N ATOM 162 H ARG A 10 4.437 2.620 10.240 1.00 0.00 H ATOM 163 HA ARG A 10 3.906 -0.187 9.883 1.00 0.00 H ATOM 164 HB2 ARG A 10 3.593 -0.088 12.343 1.00 0.00 H ATOM 165 HB3 ARG A 10 5.007 0.838 11.843 1.00 0.00 H ATOM 166 HG2 ARG A 10 3.661 2.913 11.889 1.00 0.00 H ATOM 167 HG3 ARG A 10 2.255 1.987 12.407 1.00 0.00 H ATOM 168 HD2 ARG A 10 3.069 1.702 14.550 1.00 0.00 H ATOM 169 HD3 ARG A 10 4.763 1.707 14.018 1.00 0.00 H ATOM 170 HE ARG A 10 4.089 4.235 13.402 1.00 0.00 H ATOM 171 HH11 ARG A 10 1.922 3.128 15.564 1.00 0.00 H ATOM 172 HH12 ARG A 10 2.414 4.115 16.900 1.00 0.00 H ATOM 173 HH21 ARG A 10 5.342 5.177 15.373 1.00 0.00 H ATOM 174 HH22 ARG A 10 4.353 5.277 16.792 1.00 0.00 H ATOM 175 N GLN A 11 1.390 -0.541 10.157 1.00 0.00 N ATOM 176 CA GLN A 11 -0.096 -0.674 10.078 1.00 0.00 C ATOM 177 C GLN A 11 -0.732 -0.763 11.473 1.00 0.00 C ATOM 178 O GLN A 11 -0.105 -1.165 12.433 1.00 0.00 O ATOM 179 CB GLN A 11 -0.320 -1.970 9.307 1.00 0.00 C ATOM 180 CG GLN A 11 0.122 -1.769 7.858 1.00 0.00 C ATOM 181 CD GLN A 11 -0.233 -3.010 7.041 1.00 0.00 C ATOM 182 OE1 GLN A 11 0.597 -3.545 6.334 1.00 0.00 O ATOM 183 NE2 GLN A 11 -1.443 -3.493 7.109 1.00 0.00 N ATOM 184 H GLN A 11 1.955 -1.343 10.119 1.00 0.00 H ATOM 185 HA GLN A 11 -0.514 0.153 9.527 1.00 0.00 H ATOM 186 HB2 GLN A 11 0.260 -2.764 9.756 1.00 0.00 H ATOM 187 HB3 GLN A 11 -1.366 -2.230 9.331 1.00 0.00 H ATOM 188 HG2 GLN A 11 -0.383 -0.908 7.445 1.00 0.00 H ATOM 189 HG3 GLN A 11 1.189 -1.612 7.826 1.00 0.00 H ATOM 190 HE21 GLN A 11 -2.112 -3.062 7.681 1.00 0.00 H ATOM 191 HE22 GLN A 11 -1.683 -4.289 6.590 1.00 0.00 H ATOM 192 N CYS A 12 -1.986 -0.402 11.578 1.00 0.00 N ATOM 193 CA CYS A 12 -2.690 -0.481 12.893 1.00 0.00 C ATOM 194 C CYS A 12 -3.484 -1.789 12.986 1.00 0.00 C ATOM 195 O CYS A 12 -4.540 -1.918 12.398 1.00 0.00 O ATOM 196 CB CYS A 12 -3.630 0.722 12.916 1.00 0.00 C ATOM 197 SG CYS A 12 -4.188 1.012 14.614 1.00 0.00 S ATOM 198 H CYS A 12 -2.471 -0.094 10.785 1.00 0.00 H ATOM 199 HA CYS A 12 -1.983 -0.411 13.704 1.00 0.00 H ATOM 200 HB2 CYS A 12 -3.108 1.596 12.554 1.00 0.00 H ATOM 201 HB3 CYS A 12 -4.483 0.525 12.285 1.00 0.00 H HETATM 202 N NH2 A 13 -3.024 -2.771 13.710 1.00 0.00 N HETATM 203 HN1 NH2 A 13 -2.174 -2.673 14.187 1.00 0.00 H HETATM 204 HN2 NH2 A 13 -3.531 -3.607 13.779 1.00 0.00 H TER 205 NH2 A 13