HETATM 1 C ACE A 0 -17.597 2.876 -3.360 1.00 1.00 C HETATM 2 O ACE A 0 -18.442 3.770 -3.375 1.00 1.00 O HETATM 3 CH3 ACE A 0 -16.601 2.760 -4.462 1.00 1.00 C HETATM 4 H1 ACE A 0 -16.876 3.432 -5.274 1.00 1.00 H HETATM 5 H2 ACE A 0 -16.584 1.734 -4.830 1.00 1.00 H HETATM 6 H3 ACE A 0 -15.612 3.027 -4.088 1.00 1.00 H ATOM 7 N ASP A 1 -17.486 1.963 -2.407 1.00 1.00 N ATOM 8 CA ASP A 1 -18.387 1.960 -1.266 1.00 1.00 C ATOM 9 C ASP A 1 -17.988 3.031 -0.249 1.00 1.00 C ATOM 10 O ASP A 1 -16.854 3.507 -0.256 1.00 1.00 O ATOM 11 CB ASP A 1 -18.242 0.581 -0.619 1.00 1.00 C ATOM 12 CG ASP A 1 -18.014 -0.572 -1.599 1.00 1.00 C ATOM 13 OD1 ASP A 1 -19.005 -0.966 -2.251 1.00 1.00 O ATOM 14 OD2 ASP A 1 -16.855 -1.033 -1.672 1.00 1.00 O ATOM 15 H ASP A 1 -16.799 1.237 -2.405 1.00 1.00 H ATOM 16 HA ASP A 1 -19.392 2.171 -1.631 1.00 1.00 H ATOM 17 HB2 ASP A 1 -17.409 0.611 0.083 1.00 1.00 H ATOM 18 HB3 ASP A 1 -19.141 0.373 -0.039 1.00 1.00 H ATOM 19 N ALA A 2 -18.943 3.378 0.601 1.00 1.00 N ATOM 20 CA ALA A 2 -18.696 4.361 1.643 1.00 1.00 C ATOM 21 C ALA A 2 -17.665 3.805 2.628 1.00 1.00 C ATOM 22 O ALA A 2 -16.790 4.534 3.093 1.00 1.00 O ATOM 23 CB ALA A 2 -20.016 4.725 2.325 1.00 1.00 C ATOM 24 H ALA A 2 -19.869 3.002 0.586 1.00 1.00 H ATOM 25 HA ALA A 2 -18.288 5.253 1.168 1.00 1.00 H ATOM 26 HB1 ALA A 2 -19.830 5.460 3.107 1.00 1.00 H ATOM 27 HB2 ALA A 2 -20.703 5.143 1.589 1.00 1.00 H ATOM 28 HB3 ALA A 2 -20.457 3.830 2.765 1.00 1.00 H ATOM 29 N GLU A 3 -17.802 2.519 2.916 1.00 1.00 N ATOM 30 CA GLU A 3 -16.862 1.844 3.794 1.00 1.00 C ATOM 31 C GLU A 3 -15.678 1.303 2.989 1.00 1.00 C ATOM 32 O GLU A 3 -15.367 0.115 3.057 1.00 1.00 O ATOM 33 CB GLU A 3 -17.549 0.724 4.577 1.00 1.00 C ATOM 34 CG GLU A 3 -18.357 -0.181 3.645 1.00 1.00 C ATOM 35 CD GLU A 3 -19.782 0.347 3.466 1.00 1.00 C ATOM 36 OE1 GLU A 3 -20.588 0.132 4.397 1.00 1.00 O ATOM 37 OE2 GLU A 3 -20.033 0.953 2.402 1.00 1.00 O ATOM 38 H GLU A 3 -18.538 1.942 2.561 1.00 1.00 H ATOM 39 HA GLU A 3 -16.517 2.608 4.491 1.00 1.00 H ATOM 40 HB2 GLU A 3 -16.802 0.133 5.106 1.00 1.00 H ATOM 41 HB3 GLU A 3 -18.208 1.154 5.332 1.00 1.00 H ATOM 42 HG2 GLU A 3 -17.863 -0.243 2.675 1.00 1.00 H ATOM 43 HG3 GLU A 3 -18.388 -1.192 4.051 1.00 1.00 H ATOM 44 N PHE A 4 -15.050 2.202 2.244 1.00 1.00 N ATOM 45 CA PHE A 4 -13.930 1.823 1.401 1.00 1.00 C ATOM 46 C PHE A 4 -12.819 1.169 2.225 1.00 1.00 C ATOM 47 O PHE A 4 -12.512 1.619 3.328 1.00 1.00 O ATOM 48 CB PHE A 4 -13.390 3.108 0.770 1.00 1.00 C ATOM 49 CG PHE A 4 -12.600 2.884 -0.521 1.00 1.00 C ATOM 50 CD1 PHE A 4 -13.252 2.798 -1.711 1.00 1.00 C ATOM 51 CD2 PHE A 4 -11.245 2.771 -0.478 1.00 1.00 C ATOM 52 CE1 PHE A 4 -12.519 2.589 -2.909 1.00 1.00 C ATOM 53 CE2 PHE A 4 -10.512 2.562 -1.676 1.00 1.00 C ATOM 54 CZ PHE A 4 -11.164 2.476 -2.866 1.00 1.00 C ATOM 55 H PHE A 4 -15.295 3.171 2.212 1.00 1.00 H ATOM 56 HA PHE A 4 -14.304 1.109 0.667 1.00 1.00 H ATOM 57 HB2 PHE A 4 -14.225 3.777 0.561 1.00 1.00 H ATOM 58 HB3 PHE A 4 -12.750 3.614 1.493 1.00 1.00 H ATOM 59 HD1 PHE A 4 -14.338 2.888 -1.746 1.00 1.00 H ATOM 60 HD2 PHE A 4 -10.722 2.840 0.476 1.00 1.00 H ATOM 61 HE1 PHE A 4 -13.041 2.520 -3.863 1.00 1.00 H ATOM 62 HE2 PHE A 4 -9.426 2.472 -1.641 1.00 1.00 H ATOM 63 HZ PHE A 4 -10.601 2.316 -3.786 1.00 1.00 H ATOM 64 N ARG A 5 -12.248 0.116 1.659 1.00 1.00 N ATOM 65 CA ARG A 5 -11.209 -0.632 2.347 1.00 1.00 C ATOM 66 C ARG A 5 -9.843 0.015 2.108 1.00 1.00 C ATOM 67 O ARG A 5 -9.621 0.641 1.073 1.00 1.00 O ATOM 68 CB ARG A 5 -11.168 -2.085 1.869 1.00 1.00 C ATOM 69 CG ARG A 5 -12.075 -2.970 2.726 1.00 1.00 C ATOM 70 CD ARG A 5 -13.550 -2.680 2.443 1.00 1.00 C ATOM 71 NE ARG A 5 -13.893 -3.099 1.065 1.00 1.00 N ATOM 72 CZ ARG A 5 -14.801 -2.483 0.297 1.00 1.00 C ATOM 73 NH1 ARG A 5 -15.495 -1.444 0.781 1.00 1.00 N ATOM 74 NH2 ARG A 5 -15.015 -2.906 -0.957 1.00 1.00 N ATOM 75 H ARG A 5 -12.483 -0.227 0.750 1.00 1.00 H ATOM 76 HA ARG A 5 -11.485 -0.588 3.400 1.00 1.00 H ATOM 77 HB2 ARG A 5 -11.482 -2.137 0.827 1.00 1.00 H ATOM 78 HB3 ARG A 5 -10.144 -2.457 1.913 1.00 1.00 H ATOM 79 HG2 ARG A 5 -11.861 -4.019 2.524 1.00 1.00 H ATOM 80 HG3 ARG A 5 -11.863 -2.799 3.782 1.00 1.00 H ATOM 81 HD2 ARG A 5 -14.177 -3.209 3.160 1.00 1.00 H ATOM 82 HD3 ARG A 5 -13.751 -1.616 2.569 1.00 1.00 H ATOM 83 HE ARG A 5 -13.417 -3.892 0.685 1.00 1.00 H ATOM 84 HH11 ARG A 5 -15.342 -1.135 1.720 1.00 1.00 H ATOM 85 HH12 ARG A 5 -16.166 -0.978 0.205 1.00 1.00 H ATOM 86 HH21 ARG A 5 -14.511 -3.692 -1.313 1.00 1.00 H ATOM 87 HH22 ARG A 5 -15.680 -2.435 -1.536 1.00 1.00 H ATOM 88 N HIS A 6 -8.963 -0.158 3.084 1.00 1.00 N ATOM 89 CA HIS A 6 -7.626 0.404 2.994 1.00 1.00 C ATOM 90 C HIS A 6 -6.600 -0.640 3.439 1.00 1.00 C ATOM 91 O HIS A 6 -6.941 -1.592 4.138 1.00 1.00 O ATOM 92 CB HIS A 6 -7.530 1.707 3.790 1.00 1.00 C ATOM 93 CG HIS A 6 -8.486 2.781 3.329 1.00 1.00 C ATOM 94 ND1 HIS A 6 -8.132 3.756 2.412 1.00 1.00 N ATOM 95 CD2 HIS A 6 -9.785 3.023 3.667 1.00 1.00 C ATOM 96 CE1 HIS A 6 -9.179 4.544 2.214 1.00 1.00 C ATOM 97 NE2 HIS A 6 -10.202 4.088 2.993 1.00 1.00 N ATOM 98 H HIS A 6 -9.151 -0.669 3.922 1.00 1.00 H ATOM 99 HA HIS A 6 -7.457 0.643 1.944 1.00 1.00 H ATOM 100 HB2 HIS A 6 -7.720 1.493 4.842 1.00 1.00 H ATOM 101 HB3 HIS A 6 -6.511 2.088 3.722 1.00 1.00 H ATOM 102 HD2 HIS A 6 -10.379 2.441 4.370 1.00 1.00 H ATOM 103 HE1 HIS A 6 -9.216 5.404 1.547 1.00 1.00 H ATOM 104 HE2 HIS A 6 -11.132 4.456 3.005 1.00 1.00 H ATOM 105 N ASP A 7 -5.363 -0.425 3.015 1.00 1.00 N ATOM 106 CA ASP A 7 -4.288 -1.343 3.348 1.00 1.00 C ATOM 107 C ASP A 7 -3.975 -1.234 4.842 1.00 1.00 C ATOM 108 O ASP A 7 -3.640 -0.158 5.333 1.00 1.00 O ATOM 109 CB ASP A 7 -3.013 -1.004 2.573 1.00 1.00 C ATOM 110 CG ASP A 7 -3.241 -0.334 1.217 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.638 0.851 1.229 1.00 1.00 O ATOM 112 OD2 ASP A 7 -3.012 -1.021 0.198 1.00 1.00 O ATOM 113 H ASP A 7 -5.092 0.357 2.454 1.00 1.00 H ATOM 114 HA ASP A 7 -4.657 -2.330 3.070 1.00 1.00 H ATOM 115 HB2 ASP A 7 -2.396 -0.348 3.187 1.00 1.00 H ATOM 116 HB3 ASP A 7 -2.446 -1.922 2.417 1.00 1.00 H ATOM 117 N SER A 8 -4.096 -2.364 5.523 1.00 1.00 N ATOM 118 CA SER A 8 -3.819 -2.412 6.949 1.00 1.00 C ATOM 119 C SER A 8 -2.310 -2.508 7.186 1.00 1.00 C ATOM 120 O SER A 8 -1.848 -3.377 7.922 1.00 1.00 O ATOM 121 CB SER A 8 -4.535 -3.591 7.610 1.00 1.00 C ATOM 122 OG SER A 8 -4.307 -3.634 9.016 1.00 1.00 O ATOM 123 H SER A 8 -4.377 -3.234 5.118 1.00 1.00 H ATOM 124 HA SER A 8 -4.211 -1.478 7.350 1.00 1.00 H ATOM 125 HB2 SER A 8 -5.606 -3.518 7.419 1.00 1.00 H ATOM 126 HB3 SER A 8 -4.194 -4.523 7.159 1.00 1.00 H ATOM 127 HG SER A 8 -3.327 -3.709 9.201 1.00 1.00 H ATOM 128 N GLY A 9 -1.585 -1.601 6.547 1.00 1.00 N ATOM 129 CA GLY A 9 -0.139 -1.566 6.687 1.00 1.00 C ATOM 130 C GLY A 9 0.478 -0.531 5.743 1.00 1.00 C ATOM 131 O GLY A 9 1.539 -0.766 5.168 1.00 1.00 O ATOM 132 H GLY A 9 -1.968 -0.901 5.945 1.00 1.00 H ATOM 133 HA2 GLY A 9 0.125 -1.327 7.717 1.00 1.00 H ATOM 134 HA3 GLY A 9 0.275 -2.551 6.472 1.00 1.00 H ATOM 135 N TYR A 10 -0.214 0.592 5.614 1.00 1.00 N ATOM 136 CA TYR A 10 0.251 1.662 4.748 1.00 1.00 C ATOM 137 C TYR A 10 -0.310 3.013 5.196 1.00 1.00 C ATOM 138 O TYR A 10 -1.258 3.066 5.978 1.00 1.00 O ATOM 139 CB TYR A 10 -0.285 1.337 3.352 1.00 1.00 C ATOM 140 CG TYR A 10 0.428 2.084 2.223 1.00 1.00 C ATOM 141 CD1 TYR A 10 1.587 1.568 1.678 1.00 1.00 C ATOM 142 CD2 TYR A 10 -0.087 3.273 1.749 1.00 1.00 C ATOM 143 CE1 TYR A 10 2.258 2.271 0.616 1.00 1.00 C ATOM 144 CE2 TYR A 10 0.584 3.976 0.686 1.00 1.00 C ATOM 145 CZ TYR A 10 1.723 3.440 0.172 1.00 1.00 C ATOM 146 OH TYR A 10 2.357 4.103 -0.832 1.00 1.00 O ATOM 147 H TYR A 10 -1.075 0.775 6.088 1.00 1.00 H ATOM 148 HA TYR A 10 1.339 1.692 4.805 1.00 1.00 H ATOM 149 HB2 TYR A 10 -0.194 0.265 3.179 1.00 1.00 H ATOM 150 HB3 TYR A 10 -1.348 1.576 3.318 1.00 1.00 H ATOM 151 HD1 TYR A 10 1.994 0.629 2.053 1.00 1.00 H ATOM 152 HD2 TYR A 10 -1.002 3.681 2.179 1.00 1.00 H ATOM 153 HE1 TYR A 10 3.173 1.874 0.177 1.00 1.00 H ATOM 154 HE2 TYR A 10 0.188 4.916 0.303 1.00 1.00 H ATOM 155 HH TYR A 10 2.015 5.041 -0.892 1.00 1.00 H ATOM 156 N GLU A 11 0.299 4.070 4.680 1.00 1.00 N ATOM 157 CA GLU A 11 -0.126 5.418 5.021 1.00 1.00 C ATOM 158 C GLU A 11 -0.123 6.306 3.775 1.00 1.00 C ATOM 159 O GLU A 11 0.604 6.039 2.820 1.00 1.00 O ATOM 160 CB GLU A 11 0.760 6.010 6.119 1.00 1.00 C ATOM 161 CG GLU A 11 -0.004 6.120 7.440 1.00 1.00 C ATOM 162 CD GLU A 11 -0.894 7.364 7.457 1.00 1.00 C ATOM 163 OE1 GLU A 11 -1.623 7.554 6.459 1.00 1.00 O ATOM 164 OE2 GLU A 11 -0.825 8.098 8.466 1.00 1.00 O ATOM 165 H GLU A 11 1.066 4.018 4.042 1.00 1.00 H ATOM 166 HA GLU A 11 -1.142 5.314 5.399 1.00 1.00 H ATOM 167 HB2 GLU A 11 1.643 5.385 6.256 1.00 1.00 H ATOM 168 HB3 GLU A 11 1.112 6.996 5.815 1.00 1.00 H ATOM 169 HG2 GLU A 11 -0.615 5.229 7.586 1.00 1.00 H ATOM 170 HG3 GLU A 11 0.702 6.162 8.270 1.00 1.00 H ATOM 171 N VAL A 12 -0.944 7.345 3.826 1.00 1.00 N ATOM 172 CA VAL A 12 -1.111 8.223 2.681 1.00 1.00 C ATOM 173 C VAL A 12 0.108 9.140 2.565 1.00 1.00 C ATOM 174 O VAL A 12 0.143 10.027 1.713 1.00 1.00 O ATOM 175 CB VAL A 12 -2.429 8.992 2.800 1.00 1.00 C ATOM 176 CG1 VAL A 12 -2.299 10.154 3.787 1.00 1.00 C ATOM 177 CG2 VAL A 12 -2.900 9.486 1.431 1.00 1.00 C ATOM 178 H VAL A 12 -1.489 7.588 4.629 1.00 1.00 H ATOM 179 HA VAL A 12 -1.165 7.597 1.791 1.00 1.00 H ATOM 180 HB VAL A 12 -3.183 8.307 3.186 1.00 1.00 H ATOM 181 HG11 VAL A 12 -1.889 9.787 4.728 1.00 1.00 H ATOM 182 HG12 VAL A 12 -1.633 10.911 3.372 1.00 1.00 H ATOM 183 HG13 VAL A 12 -3.281 10.592 3.964 1.00 1.00 H ATOM 184 HG21 VAL A 12 -3.920 9.863 1.512 1.00 1.00 H ATOM 185 HG22 VAL A 12 -2.244 10.286 1.087 1.00 1.00 H ATOM 186 HG23 VAL A 12 -2.873 8.662 0.718 1.00 1.00 H ATOM 187 N HIS A 13 1.077 8.896 3.435 1.00 1.00 N ATOM 188 CA HIS A 13 2.305 9.673 3.426 1.00 1.00 C ATOM 189 C HIS A 13 3.104 9.356 2.160 1.00 1.00 C ATOM 190 O HIS A 13 3.724 10.242 1.575 1.00 1.00 O ATOM 191 CB HIS A 13 3.106 9.438 4.707 1.00 1.00 C ATOM 192 CG HIS A 13 2.394 9.873 5.966 1.00 1.00 C ATOM 193 ND1 HIS A 13 3.003 10.635 6.947 1.00 1.00 N ATOM 194 CD2 HIS A 13 1.118 9.645 6.392 1.00 1.00 C ATOM 195 CE1 HIS A 13 2.125 10.849 7.916 1.00 1.00 C ATOM 196 NE2 HIS A 13 0.957 10.235 7.570 1.00 1.00 N ATOM 197 H HIS A 13 1.034 8.183 4.135 1.00 1.00 H ATOM 198 HA HIS A 13 2.010 10.722 3.405 1.00 1.00 H ATOM 199 HB2 HIS A 13 3.345 8.378 4.785 1.00 1.00 H ATOM 200 HB3 HIS A 13 4.053 9.974 4.635 1.00 1.00 H ATOM 201 HD2 HIS A 13 0.359 9.075 5.855 1.00 1.00 H ATOM 202 HE1 HIS A 13 2.304 11.418 8.829 1.00 1.00 H ATOM 203 HE2 HIS A 13 0.102 10.277 8.087 1.00 1.00 H ATOM 204 N HIS A 14 3.062 8.089 1.774 1.00 1.00 N ATOM 205 CA HIS A 14 3.803 7.637 0.609 1.00 1.00 C ATOM 206 C HIS A 14 2.859 7.532 -0.590 1.00 1.00 C ATOM 207 O HIS A 14 1.844 6.840 -0.527 1.00 1.00 O ATOM 208 CB HIS A 14 4.533 6.325 0.905 1.00 1.00 C ATOM 209 CG HIS A 14 5.368 5.814 -0.245 1.00 1.00 C ATOM 210 ND1 HIS A 14 6.147 6.644 -1.032 1.00 1.00 N ATOM 211 CD2 HIS A 14 5.538 4.551 -0.730 1.00 1.00 C ATOM 212 CE1 HIS A 14 6.754 5.903 -1.948 1.00 1.00 C ATOM 213 NE2 HIS A 14 6.375 4.606 -1.760 1.00 1.00 N ATOM 214 H HIS A 14 2.536 7.379 2.242 1.00 1.00 H ATOM 215 HA HIS A 14 4.556 8.397 0.403 1.00 1.00 H ATOM 216 HB2 HIS A 14 5.177 6.468 1.773 1.00 1.00 H ATOM 217 HB3 HIS A 14 3.800 5.565 1.174 1.00 1.00 H ATOM 218 HD2 HIS A 14 5.067 3.649 -0.339 1.00 1.00 H ATOM 219 HE1 HIS A 14 7.436 6.266 -2.717 1.00 1.00 H ATOM 220 HE2 HIS A 14 6.721 3.819 -2.270 1.00 1.00 H ATOM 221 N GLN A 15 3.227 8.229 -1.655 1.00 1.00 N ATOM 222 CA GLN A 15 2.423 8.227 -2.865 1.00 1.00 C ATOM 223 C GLN A 15 2.448 6.844 -3.518 1.00 1.00 C ATOM 224 O GLN A 15 3.455 6.448 -4.104 1.00 1.00 O ATOM 225 CB GLN A 15 2.901 9.303 -3.842 1.00 1.00 C ATOM 226 CG GLN A 15 2.637 10.704 -3.287 1.00 1.00 C ATOM 227 CD GLN A 15 3.143 11.780 -4.250 1.00 1.00 C ATOM 228 OE1 GLN A 15 3.074 11.649 -5.461 1.00 1.00 O ATOM 229 NE2 GLN A 15 3.654 12.849 -3.646 1.00 1.00 N ATOM 230 H GLN A 15 4.057 8.785 -1.700 1.00 1.00 H ATOM 231 HA GLN A 15 1.410 8.464 -2.540 1.00 1.00 H ATOM 232 HB2 GLN A 15 3.967 9.179 -4.034 1.00 1.00 H ATOM 233 HB3 GLN A 15 2.390 9.185 -4.798 1.00 1.00 H ATOM 234 HG2 GLN A 15 1.568 10.837 -3.117 1.00 1.00 H ATOM 235 HG3 GLN A 15 3.129 10.815 -2.321 1.00 1.00 H ATOM 236 HE21 GLN A 15 3.673 12.898 -2.647 1.00 1.00 H ATOM 237 HE22 GLN A 15 4.020 13.604 -4.191 1.00 1.00 H ATOM 238 N LYS A 16 1.329 6.146 -3.396 1.00 1.00 N ATOM 239 CA LYS A 16 1.213 4.811 -3.958 1.00 1.00 C ATOM 240 C LYS A 16 1.192 4.905 -5.484 1.00 1.00 C ATOM 241 O LYS A 16 1.679 4.009 -6.172 1.00 1.00 O ATOM 242 CB LYS A 16 0.002 4.085 -3.369 1.00 1.00 C ATOM 243 CG LYS A 16 0.137 2.570 -3.535 1.00 1.00 C ATOM 244 CD LYS A 16 -1.155 1.856 -3.131 1.00 1.00 C ATOM 245 CE LYS A 16 -1.440 2.042 -1.640 1.00 1.00 C ATOM 246 NZ LYS A 16 -2.677 1.326 -1.256 1.00 1.00 N ATOM 247 H LYS A 16 0.512 6.478 -2.924 1.00 1.00 H ATOM 248 HA LYS A 16 2.101 4.253 -3.659 1.00 1.00 H ATOM 249 HB2 LYS A 16 -0.096 4.331 -2.312 1.00 1.00 H ATOM 250 HB3 LYS A 16 -0.907 4.429 -3.861 1.00 1.00 H ATOM 251 HG2 LYS A 16 0.378 2.334 -4.572 1.00 1.00 H ATOM 252 HG3 LYS A 16 0.964 2.206 -2.925 1.00 1.00 H ATOM 253 HD2 LYS A 16 -1.988 2.247 -3.716 1.00 1.00 H ATOM 254 HD3 LYS A 16 -1.075 0.794 -3.361 1.00 1.00 H ATOM 255 HE2 LYS A 16 -0.600 1.669 -1.054 1.00 1.00 H ATOM 256 HE3 LYS A 16 -1.542 3.103 -1.412 1.00 1.00 H ATOM 257 HZ1 LYS A 16 -2.527 0.339 -1.327 1.00 1.00 H ATOM 258 HZ2 LYS A 16 -2.918 1.558 -0.314 1.00 1.00 H ATOM 259 HZ3 LYS A 16 -3.421 1.595 -1.867 1.00 1.00 H HETATM 260 N NH2 A 17 0.621 5.998 -5.970 1.00 1.00 N HETATM 261 HN1 NH2 A 17 0.566 6.138 -6.973 1.00 1.00 H HETATM 262 HN2 NH2 A 17 0.241 6.695 -5.339 1.00 1.00 H TER 263 NH2 A 17