HETATM 1 C ACE A 0 1.980 -9.860 5.723 1.00 1.00 C HETATM 2 O ACE A 0 0.842 -9.414 5.859 1.00 1.00 O HETATM 3 CH3 ACE A 0 2.248 -11.315 5.900 1.00 1.00 C HETATM 4 H1 ACE A 0 3.260 -11.455 6.280 1.00 1.00 H HETATM 5 H2 ACE A 0 2.147 -11.822 4.940 1.00 1.00 H HETATM 6 H3 ACE A 0 1.533 -11.733 6.608 1.00 1.00 H ATOM 7 N ASP A 1 3.041 -9.128 5.418 1.00 1.00 N ATOM 8 CA ASP A 1 2.929 -7.693 5.221 1.00 1.00 C ATOM 9 C ASP A 1 4.118 -7.154 4.423 1.00 1.00 C ATOM 10 O ASP A 1 3.958 -6.262 3.591 1.00 1.00 O ATOM 11 CB ASP A 1 2.946 -7.073 6.620 1.00 1.00 C ATOM 12 CG ASP A 1 2.839 -5.547 6.652 1.00 1.00 C ATOM 13 OD1 ASP A 1 3.894 -4.901 6.477 1.00 1.00 O ATOM 14 OD2 ASP A 1 1.705 -5.062 6.851 1.00 1.00 O ATOM 15 H ASP A 1 3.963 -9.499 5.306 1.00 1.00 H ATOM 16 HA ASP A 1 2.011 -7.501 4.666 1.00 1.00 H ATOM 17 HB2 ASP A 1 2.121 -7.492 7.197 1.00 1.00 H ATOM 18 HB3 ASP A 1 3.868 -7.368 7.121 1.00 1.00 H ATOM 19 N ALA A 2 5.283 -7.717 4.706 1.00 1.00 N ATOM 20 CA ALA A 2 6.496 -7.317 4.012 1.00 1.00 C ATOM 21 C ALA A 2 6.562 -8.027 2.658 1.00 1.00 C ATOM 22 O ALA A 2 6.960 -7.430 1.659 1.00 1.00 O ATOM 23 CB ALA A 2 7.711 -7.622 4.890 1.00 1.00 C ATOM 24 H ALA A 2 5.406 -8.434 5.392 1.00 1.00 H ATOM 25 HA ALA A 2 6.443 -6.241 3.846 1.00 1.00 H ATOM 26 HB1 ALA A 2 8.613 -7.251 4.404 1.00 1.00 H ATOM 27 HB2 ALA A 2 7.592 -7.132 5.857 1.00 1.00 H ATOM 28 HB3 ALA A 2 7.793 -8.699 5.036 1.00 1.00 H ATOM 29 N GLU A 3 6.166 -9.292 2.670 1.00 1.00 N ATOM 30 CA GLU A 3 6.140 -10.078 1.448 1.00 1.00 C ATOM 31 C GLU A 3 4.882 -9.759 0.638 1.00 1.00 C ATOM 32 O GLU A 3 4.845 -9.982 -0.571 1.00 1.00 O ATOM 33 CB GLU A 3 6.228 -11.574 1.758 1.00 1.00 C ATOM 34 CG GLU A 3 6.657 -11.810 3.207 1.00 1.00 C ATOM 35 CD GLU A 3 5.463 -11.695 4.158 1.00 1.00 C ATOM 36 OE1 GLU A 3 4.630 -12.626 4.137 1.00 1.00 O ATOM 37 OE2 GLU A 3 5.411 -10.678 4.883 1.00 1.00 O ATOM 38 H GLU A 3 5.868 -9.777 3.491 1.00 1.00 H ATOM 39 HA GLU A 3 7.026 -9.776 0.890 1.00 1.00 H ATOM 40 HB2 GLU A 3 5.261 -12.044 1.580 1.00 1.00 H ATOM 41 HB3 GLU A 3 6.942 -12.047 1.083 1.00 1.00 H ATOM 42 HG2 GLU A 3 7.107 -12.798 3.301 1.00 1.00 H ATOM 43 HG3 GLU A 3 7.420 -11.084 3.487 1.00 1.00 H ATOM 44 N PHE A 4 3.882 -9.243 1.337 1.00 1.00 N ATOM 45 CA PHE A 4 2.628 -8.883 0.696 1.00 1.00 C ATOM 46 C PHE A 4 2.139 -7.516 1.179 1.00 1.00 C ATOM 47 O PHE A 4 1.356 -7.431 2.124 1.00 1.00 O ATOM 48 CB PHE A 4 1.602 -9.947 1.091 1.00 1.00 C ATOM 49 CG PHE A 4 1.939 -11.352 0.588 1.00 1.00 C ATOM 50 CD1 PHE A 4 1.740 -11.673 -0.719 1.00 1.00 C ATOM 51 CD2 PHE A 4 2.436 -12.281 1.448 1.00 1.00 C ATOM 52 CE1 PHE A 4 2.052 -12.977 -1.186 1.00 1.00 C ATOM 53 CE2 PHE A 4 2.749 -13.585 0.981 1.00 1.00 C ATOM 54 CZ PHE A 4 2.550 -13.906 -0.326 1.00 1.00 C ATOM 55 H PHE A 4 3.918 -9.071 2.322 1.00 1.00 H ATOM 56 HA PHE A 4 2.814 -8.842 -0.377 1.00 1.00 H ATOM 57 HB2 PHE A 4 1.518 -9.971 2.177 1.00 1.00 H ATOM 58 HB3 PHE A 4 0.626 -9.657 0.702 1.00 1.00 H ATOM 59 HD1 PHE A 4 1.341 -10.928 -1.408 1.00 1.00 H ATOM 60 HD2 PHE A 4 2.596 -12.024 2.495 1.00 1.00 H ATOM 61 HE1 PHE A 4 1.893 -13.234 -2.233 1.00 1.00 H ATOM 62 HE2 PHE A 4 3.148 -14.330 1.670 1.00 1.00 H ATOM 63 HZ PHE A 4 2.790 -14.907 -0.684 1.00 1.00 H ATOM 64 N ARG A 5 2.621 -6.480 0.508 1.00 1.00 N ATOM 65 CA ARG A 5 2.270 -5.119 0.879 1.00 1.00 C ATOM 66 C ARG A 5 0.775 -4.878 0.658 1.00 1.00 C ATOM 67 O ARG A 5 0.212 -5.322 -0.341 1.00 1.00 O ATOM 68 CB ARG A 5 3.070 -4.102 0.063 1.00 1.00 C ATOM 69 CG ARG A 5 4.550 -4.134 0.448 1.00 1.00 C ATOM 70 CD ARG A 5 4.872 -3.050 1.479 1.00 1.00 C ATOM 71 NE ARG A 5 4.254 -3.389 2.780 1.00 1.00 N ATOM 72 CZ ARG A 5 3.618 -2.507 3.562 1.00 1.00 C ATOM 73 NH1 ARG A 5 3.352 -1.276 3.105 1.00 1.00 N ATOM 74 NH2 ARG A 5 3.246 -2.856 4.801 1.00 1.00 N ATOM 75 H ARG A 5 3.239 -6.558 -0.274 1.00 1.00 H ATOM 76 HA ARG A 5 2.527 -5.043 1.936 1.00 1.00 H ATOM 77 HB2 ARG A 5 2.962 -4.318 -1.000 1.00 1.00 H ATOM 78 HB3 ARG A 5 2.669 -3.102 0.228 1.00 1.00 H ATOM 79 HG2 ARG A 5 4.804 -5.113 0.853 1.00 1.00 H ATOM 80 HG3 ARG A 5 5.164 -3.988 -0.442 1.00 1.00 H ATOM 81 HD2 ARG A 5 5.952 -2.955 1.593 1.00 1.00 H ATOM 82 HD3 ARG A 5 4.502 -2.085 1.132 1.00 1.00 H ATOM 83 HE ARG A 5 4.316 -4.336 3.095 1.00 1.00 H ATOM 84 HH11 ARG A 5 3.625 -1.016 2.179 1.00 1.00 H ATOM 85 HH12 ARG A 5 2.881 -0.616 3.690 1.00 1.00 H ATOM 86 HH21 ARG A 5 3.524 -3.741 5.176 1.00 1.00 H ATOM 87 HH22 ARG A 5 2.691 -2.233 5.351 1.00 1.00 H ATOM 88 N HIS A 6 0.175 -4.175 1.608 1.00 1.00 N ATOM 89 CA HIS A 6 -1.254 -3.918 1.559 1.00 1.00 C ATOM 90 C HIS A 6 -1.565 -2.605 2.280 1.00 1.00 C ATOM 91 O HIS A 6 -0.721 -2.074 3.001 1.00 1.00 O ATOM 92 CB HIS A 6 -2.039 -5.104 2.124 1.00 1.00 C ATOM 93 CG HIS A 6 -1.508 -5.621 3.440 1.00 1.00 C ATOM 94 ND1 HIS A 6 -1.864 -6.854 3.959 1.00 1.00 N ATOM 95 CD2 HIS A 6 -0.644 -5.061 4.334 1.00 1.00 C ATOM 96 CE1 HIS A 6 -1.237 -7.017 5.115 1.00 1.00 C ATOM 97 NE2 HIS A 6 -0.482 -5.905 5.346 1.00 1.00 N ATOM 98 H HIS A 6 0.648 -3.785 2.398 1.00 1.00 H ATOM 99 HA HIS A 6 -1.518 -3.816 0.506 1.00 1.00 H ATOM 100 HB2 HIS A 6 -3.080 -4.809 2.255 1.00 1.00 H ATOM 101 HB3 HIS A 6 -2.027 -5.915 1.395 1.00 1.00 H ATOM 102 HD2 HIS A 6 -0.168 -4.086 4.235 1.00 1.00 H ATOM 103 HE1 HIS A 6 -1.312 -7.887 5.767 1.00 1.00 H ATOM 104 HE2 HIS A 6 0.141 -5.775 6.117 1.00 1.00 H ATOM 105 N ASP A 7 -2.777 -2.118 2.060 1.00 1.00 N ATOM 106 CA ASP A 7 -3.213 -0.882 2.686 1.00 1.00 C ATOM 107 C ASP A 7 -3.379 -1.108 4.190 1.00 1.00 C ATOM 108 O ASP A 7 -3.433 -0.152 4.963 1.00 1.00 O ATOM 109 CB ASP A 7 -4.561 -0.425 2.125 1.00 1.00 C ATOM 110 CG ASP A 7 -4.492 0.278 0.768 1.00 1.00 C ATOM 111 OD1 ASP A 7 -4.272 -0.438 -0.232 1.00 1.00 O ATOM 112 OD2 ASP A 7 -4.659 1.517 0.762 1.00 1.00 O ATOM 113 H ASP A 7 -3.455 -2.554 1.467 1.00 1.00 H ATOM 114 HA ASP A 7 -2.434 -0.155 2.457 1.00 1.00 H ATOM 115 HB2 ASP A 7 -5.213 -1.294 2.034 1.00 1.00 H ATOM 116 HB3 ASP A 7 -5.027 0.249 2.843 1.00 1.00 H ATOM 117 N SER A 8 -3.454 -2.378 4.560 1.00 1.00 N ATOM 118 CA SER A 8 -3.571 -2.743 5.962 1.00 1.00 C ATOM 119 C SER A 8 -2.293 -2.360 6.710 1.00 1.00 C ATOM 120 O SER A 8 -2.257 -2.387 7.940 1.00 1.00 O ATOM 121 CB SER A 8 -3.850 -4.239 6.120 1.00 1.00 C ATOM 122 OG SER A 8 -3.935 -4.624 7.489 1.00 1.00 O ATOM 123 H SER A 8 -3.437 -3.148 3.923 1.00 1.00 H ATOM 124 HA SER A 8 -4.420 -2.173 6.339 1.00 1.00 H ATOM 125 HB2 SER A 8 -4.783 -4.489 5.615 1.00 1.00 H ATOM 126 HB3 SER A 8 -3.061 -4.809 5.631 1.00 1.00 H ATOM 127 HG SER A 8 -3.326 -4.056 8.043 1.00 1.00 H ATOM 128 N GLY A 9 -1.274 -2.011 5.938 1.00 1.00 N ATOM 129 CA GLY A 9 -0.015 -1.571 6.513 1.00 1.00 C ATOM 130 C GLY A 9 0.574 -0.404 5.717 1.00 1.00 C ATOM 131 O GLY A 9 1.745 -0.432 5.342 1.00 1.00 O ATOM 132 H GLY A 9 -1.300 -2.026 4.938 1.00 1.00 H ATOM 133 HA2 GLY A 9 -0.170 -1.268 7.548 1.00 1.00 H ATOM 134 HA3 GLY A 9 0.693 -2.400 6.526 1.00 1.00 H ATOM 135 N TYR A 10 -0.266 0.593 5.482 1.00 1.00 N ATOM 136 CA TYR A 10 0.142 1.747 4.698 1.00 1.00 C ATOM 137 C TYR A 10 -0.505 3.027 5.229 1.00 1.00 C ATOM 138 O TYR A 10 -1.511 2.972 5.935 1.00 1.00 O ATOM 139 CB TYR A 10 -0.358 1.489 3.276 1.00 1.00 C ATOM 140 CG TYR A 10 0.376 2.296 2.202 1.00 1.00 C ATOM 141 CD1 TYR A 10 -0.069 3.557 1.864 1.00 1.00 C ATOM 142 CD2 TYR A 10 1.482 1.762 1.573 1.00 1.00 C ATOM 143 CE1 TYR A 10 0.622 4.317 0.854 1.00 1.00 C ATOM 144 CE2 TYR A 10 2.172 2.521 0.563 1.00 1.00 C ATOM 145 CZ TYR A 10 1.708 3.761 0.253 1.00 1.00 C ATOM 146 OH TYR A 10 2.360 4.478 -0.701 1.00 1.00 O ATOM 147 H TYR A 10 -1.208 0.621 5.816 1.00 1.00 H ATOM 148 HA TYR A 10 1.226 1.838 4.774 1.00 1.00 H ATOM 149 HB2 TYR A 10 -0.254 0.427 3.052 1.00 1.00 H ATOM 150 HB3 TYR A 10 -1.421 1.722 3.227 1.00 1.00 H ATOM 151 HD1 TYR A 10 -0.942 3.979 2.361 1.00 1.00 H ATOM 152 HD2 TYR A 10 1.833 0.765 1.841 1.00 1.00 H ATOM 153 HE1 TYR A 10 0.281 5.314 0.576 1.00 1.00 H ATOM 154 HE2 TYR A 10 3.047 2.111 0.058 1.00 1.00 H ATOM 155 HH TYR A 10 1.978 5.401 -0.756 1.00 1.00 H ATOM 156 N GLU A 11 0.099 4.150 4.870 1.00 1.00 N ATOM 157 CA GLU A 11 -0.401 5.442 5.309 1.00 1.00 C ATOM 158 C GLU A 11 -0.365 6.446 4.154 1.00 1.00 C ATOM 159 O GLU A 11 0.363 6.253 3.182 1.00 1.00 O ATOM 160 CB GLU A 11 0.395 5.959 6.509 1.00 1.00 C ATOM 161 CG GLU A 11 -0.487 6.044 7.756 1.00 1.00 C ATOM 162 CD GLU A 11 -1.340 7.314 7.740 1.00 1.00 C ATOM 163 OE1 GLU A 11 -2.219 7.395 6.855 1.00 1.00 O ATOM 164 OE2 GLU A 11 -1.093 8.174 8.612 1.00 1.00 O ATOM 165 H GLU A 11 0.913 4.187 4.290 1.00 1.00 H ATOM 166 HA GLU A 11 -1.432 5.266 5.614 1.00 1.00 H ATOM 167 HB2 GLU A 11 1.240 5.298 6.701 1.00 1.00 H ATOM 168 HB3 GLU A 11 0.805 6.943 6.282 1.00 1.00 H ATOM 169 HG2 GLU A 11 -1.133 5.168 7.809 1.00 1.00 H ATOM 170 HG3 GLU A 11 0.138 6.033 8.649 1.00 1.00 H ATOM 171 N VAL A 12 -1.161 7.495 4.300 1.00 1.00 N ATOM 172 CA VAL A 12 -1.265 8.505 3.260 1.00 1.00 C ATOM 173 C VAL A 12 -0.070 9.455 3.355 1.00 1.00 C ATOM 174 O VAL A 12 -0.243 10.666 3.479 1.00 1.00 O ATOM 175 CB VAL A 12 -2.611 9.225 3.363 1.00 1.00 C ATOM 176 CG1 VAL A 12 -2.890 10.049 2.105 1.00 1.00 C ATOM 177 CG2 VAL A 12 -3.744 8.233 3.633 1.00 1.00 C ATOM 178 H VAL A 12 -1.726 7.661 5.108 1.00 1.00 H ATOM 179 HA VAL A 12 -1.230 7.992 2.299 1.00 1.00 H ATOM 180 HB VAL A 12 -2.559 9.912 4.208 1.00 1.00 H ATOM 181 HG11 VAL A 12 -2.053 10.720 1.916 1.00 1.00 H ATOM 182 HG12 VAL A 12 -3.018 9.379 1.254 1.00 1.00 H ATOM 183 HG13 VAL A 12 -3.800 10.633 2.247 1.00 1.00 H ATOM 184 HG21 VAL A 12 -3.667 7.862 4.655 1.00 1.00 H ATOM 185 HG22 VAL A 12 -4.704 8.733 3.500 1.00 1.00 H ATOM 186 HG23 VAL A 12 -3.669 7.398 2.936 1.00 1.00 H ATOM 187 N HIS A 13 1.117 8.869 3.295 1.00 1.00 N ATOM 188 CA HIS A 13 2.341 9.652 3.328 1.00 1.00 C ATOM 189 C HIS A 13 3.093 9.485 2.006 1.00 1.00 C ATOM 190 O HIS A 13 3.518 10.468 1.401 1.00 1.00 O ATOM 191 CB HIS A 13 3.191 9.280 4.544 1.00 1.00 C ATOM 192 CG HIS A 13 2.429 9.276 5.848 1.00 1.00 C ATOM 193 ND1 HIS A 13 2.802 8.500 6.932 1.00 1.00 N ATOM 194 CD2 HIS A 13 1.312 9.960 6.230 1.00 1.00 C ATOM 195 CE1 HIS A 13 1.941 8.715 7.916 1.00 1.00 C ATOM 196 NE2 HIS A 13 1.019 9.620 7.479 1.00 1.00 N ATOM 197 H HIS A 13 1.250 7.880 3.224 1.00 1.00 H ATOM 198 HA HIS A 13 2.042 10.694 3.437 1.00 1.00 H ATOM 199 HB2 HIS A 13 3.623 8.292 4.385 1.00 1.00 H ATOM 200 HB3 HIS A 13 4.021 9.982 4.623 1.00 1.00 H ATOM 201 HD2 HIS A 13 0.756 10.666 5.614 1.00 1.00 H ATOM 202 HE1 HIS A 13 1.966 8.251 8.902 1.00 1.00 H ATOM 203 HE2 HIS A 13 0.282 10.011 8.030 1.00 1.00 H ATOM 204 N HIS A 14 3.234 8.233 1.596 1.00 1.00 N ATOM 205 CA HIS A 14 3.949 7.923 0.370 1.00 1.00 C ATOM 206 C HIS A 14 2.948 7.674 -0.760 1.00 1.00 C ATOM 207 O HIS A 14 1.804 7.298 -0.508 1.00 1.00 O ATOM 208 CB HIS A 14 4.908 6.750 0.582 1.00 1.00 C ATOM 209 CG HIS A 14 5.779 6.444 -0.613 1.00 1.00 C ATOM 210 ND1 HIS A 14 6.679 7.356 -1.138 1.00 1.00 N ATOM 211 CD2 HIS A 14 5.879 5.320 -1.379 1.00 1.00 C ATOM 212 CE1 HIS A 14 7.287 6.795 -2.173 1.00 1.00 C ATOM 213 NE2 HIS A 14 6.789 5.534 -2.321 1.00 1.00 N ATOM 214 H HIS A 14 2.870 7.440 2.085 1.00 1.00 H ATOM 215 HA HIS A 14 4.547 8.801 0.126 1.00 1.00 H ATOM 216 HB2 HIS A 14 5.547 6.966 1.438 1.00 1.00 H ATOM 217 HB3 HIS A 14 4.329 5.861 0.833 1.00 1.00 H ATOM 218 HD2 HIS A 14 5.307 4.402 -1.241 1.00 1.00 H ATOM 219 HE1 HIS A 14 8.050 7.260 -2.796 1.00 1.00 H ATOM 220 HE2 HIS A 14 7.105 4.859 -2.988 1.00 1.00 H ATOM 221 N GLN A 15 3.415 7.893 -1.980 1.00 1.00 N ATOM 222 CA GLN A 15 2.576 7.691 -3.150 1.00 1.00 C ATOM 223 C GLN A 15 2.726 6.260 -3.670 1.00 1.00 C ATOM 224 O GLN A 15 3.835 5.731 -3.731 1.00 1.00 O ATOM 225 CB GLN A 15 2.906 8.710 -4.243 1.00 1.00 C ATOM 226 CG GLN A 15 1.747 9.687 -4.450 1.00 1.00 C ATOM 227 CD GLN A 15 0.559 8.994 -5.122 1.00 1.00 C ATOM 228 OE1 GLN A 15 0.642 7.865 -5.576 1.00 1.00 O ATOM 229 NE2 GLN A 15 -0.547 9.732 -5.159 1.00 1.00 N ATOM 230 H GLN A 15 4.346 8.202 -2.176 1.00 1.00 H ATOM 231 HA GLN A 15 1.555 7.855 -2.806 1.00 1.00 H ATOM 232 HB2 GLN A 15 3.807 9.260 -3.972 1.00 1.00 H ATOM 233 HB3 GLN A 15 3.119 8.190 -5.177 1.00 1.00 H ATOM 234 HG2 GLN A 15 1.437 10.097 -3.489 1.00 1.00 H ATOM 235 HG3 GLN A 15 2.078 10.525 -5.063 1.00 1.00 H ATOM 236 HE21 GLN A 15 -0.547 10.652 -4.767 1.00 1.00 H ATOM 237 HE22 GLN A 15 -1.377 9.367 -5.578 1.00 1.00 H ATOM 238 N LYS A 16 1.594 5.674 -4.031 1.00 1.00 N ATOM 239 CA LYS A 16 1.587 4.320 -4.559 1.00 1.00 C ATOM 240 C LYS A 16 2.227 4.316 -5.948 1.00 1.00 C ATOM 241 O LYS A 16 2.838 3.327 -6.351 1.00 1.00 O ATOM 242 CB LYS A 16 0.170 3.742 -4.532 1.00 1.00 C ATOM 243 CG LYS A 16 -0.287 3.478 -3.096 1.00 1.00 C ATOM 244 CD LYS A 16 -1.660 2.804 -3.073 1.00 1.00 C ATOM 245 CE LYS A 16 -2.113 2.531 -1.637 1.00 1.00 C ATOM 246 NZ LYS A 16 -3.447 1.890 -1.628 1.00 1.00 N ATOM 247 H LYS A 16 0.695 6.108 -3.969 1.00 1.00 H ATOM 248 HA LYS A 16 2.197 3.708 -3.895 1.00 1.00 H ATOM 249 HB2 LYS A 16 -0.519 4.435 -5.015 1.00 1.00 H ATOM 250 HB3 LYS A 16 0.142 2.814 -5.103 1.00 1.00 H ATOM 251 HG2 LYS A 16 0.441 2.845 -2.589 1.00 1.00 H ATOM 252 HG3 LYS A 16 -0.330 4.418 -2.545 1.00 1.00 H ATOM 253 HD2 LYS A 16 -2.390 3.440 -3.573 1.00 1.00 H ATOM 254 HD3 LYS A 16 -1.619 1.868 -3.629 1.00 1.00 H ATOM 255 HE2 LYS A 16 -1.390 1.886 -1.138 1.00 1.00 H ATOM 256 HE3 LYS A 16 -2.148 3.465 -1.076 1.00 1.00 H ATOM 257 HZ1 LYS A 16 -4.056 2.378 -2.254 1.00 1.00 H ATOM 258 HZ2 LYS A 16 -3.362 0.937 -1.920 1.00 1.00 H ATOM 259 HZ3 LYS A 16 -3.825 1.922 -0.703 1.00 1.00 H HETATM 260 N NH2 A 17 2.065 5.432 -6.643 1.00 1.00 N HETATM 261 HN1 NH2 A 17 2.460 5.512 -7.574 1.00 1.00 H HETATM 262 HN2 NH2 A 17 1.547 6.207 -6.244 1.00 1.00 H TER 263 NH2 A 17