HETATM 1 C ACE A 0 7.279 -0.123 7.618 1.00 1.00 C HETATM 2 O ACE A 0 6.922 0.419 6.573 1.00 1.00 O HETATM 3 CH3 ACE A 0 7.125 0.577 8.924 1.00 1.00 C HETATM 4 H1 ACE A 0 6.443 0.014 9.560 1.00 1.00 H HETATM 5 H2 ACE A 0 6.723 1.576 8.755 1.00 1.00 H HETATM 6 H3 ACE A 0 8.097 0.655 9.412 1.00 1.00 H ATOM 7 N ASP A 1 7.814 -1.333 7.691 1.00 1.00 N ATOM 8 CA ASP A 1 8.039 -2.126 6.494 1.00 1.00 C ATOM 9 C ASP A 1 6.717 -2.646 5.925 1.00 1.00 C ATOM 10 O ASP A 1 6.674 -3.140 4.799 1.00 1.00 O ATOM 11 CB ASP A 1 8.895 -3.315 6.931 1.00 1.00 C ATOM 12 CG ASP A 1 8.163 -4.368 7.764 1.00 1.00 C ATOM 13 OD1 ASP A 1 7.510 -3.960 8.749 1.00 1.00 O ATOM 14 OD2 ASP A 1 8.272 -5.559 7.398 1.00 1.00 O ATOM 15 H ASP A 1 8.091 -1.771 8.546 1.00 1.00 H ATOM 16 HA ASP A 1 8.519 -1.487 5.753 1.00 1.00 H ATOM 17 HB2 ASP A 1 9.303 -3.796 6.041 1.00 1.00 H ATOM 18 HB3 ASP A 1 9.742 -2.942 7.507 1.00 1.00 H ATOM 19 N ALA A 2 5.672 -2.518 6.729 1.00 1.00 N ATOM 20 CA ALA A 2 4.350 -2.957 6.314 1.00 1.00 C ATOM 21 C ALA A 2 3.896 -2.127 5.112 1.00 1.00 C ATOM 22 O ALA A 2 3.071 -2.577 4.318 1.00 1.00 O ATOM 23 CB ALA A 2 3.383 -2.852 7.495 1.00 1.00 C ATOM 24 H ALA A 2 5.717 -2.123 7.646 1.00 1.00 H ATOM 25 HA ALA A 2 4.427 -4.002 6.015 1.00 1.00 H ATOM 26 HB1 ALA A 2 3.779 -3.415 8.340 1.00 1.00 H ATOM 27 HB2 ALA A 2 3.268 -1.806 7.778 1.00 1.00 H ATOM 28 HB3 ALA A 2 2.414 -3.260 7.208 1.00 1.00 H ATOM 29 N GLU A 3 4.453 -0.928 5.016 1.00 1.00 N ATOM 30 CA GLU A 3 4.100 -0.023 3.936 1.00 1.00 C ATOM 31 C GLU A 3 4.564 -0.591 2.594 1.00 1.00 C ATOM 32 O GLU A 3 4.237 -0.049 1.539 1.00 1.00 O ATOM 33 CB GLU A 3 4.687 1.370 4.174 1.00 1.00 C ATOM 34 CG GLU A 3 3.975 2.419 3.318 1.00 1.00 C ATOM 35 CD GLU A 3 4.103 3.812 3.938 1.00 1.00 C ATOM 36 OE1 GLU A 3 3.236 4.142 4.776 1.00 1.00 O ATOM 37 OE2 GLU A 3 5.065 4.515 3.560 1.00 1.00 O ATOM 38 H GLU A 3 5.133 -0.575 5.659 1.00 1.00 H ATOM 39 HA GLU A 3 3.012 0.040 3.955 1.00 1.00 H ATOM 40 HB2 GLU A 3 4.595 1.632 5.228 1.00 1.00 H ATOM 41 HB3 GLU A 3 5.751 1.365 3.939 1.00 1.00 H ATOM 42 HG2 GLU A 3 4.399 2.423 2.314 1.00 1.00 H ATOM 43 HG3 GLU A 3 2.921 2.157 3.218 1.00 1.00 H ATOM 44 N PHE A 4 5.320 -1.677 2.676 1.00 1.00 N ATOM 45 CA PHE A 4 5.803 -2.346 1.480 1.00 1.00 C ATOM 46 C PHE A 4 5.486 -3.842 1.523 1.00 1.00 C ATOM 47 O PHE A 4 6.256 -4.657 1.017 1.00 1.00 O ATOM 48 CB PHE A 4 7.321 -2.158 1.445 1.00 1.00 C ATOM 49 CG PHE A 4 7.950 -2.430 0.077 1.00 1.00 C ATOM 50 CD1 PHE A 4 7.468 -1.803 -1.030 1.00 1.00 C ATOM 51 CD2 PHE A 4 8.990 -3.299 -0.032 1.00 1.00 C ATOM 52 CE1 PHE A 4 8.051 -2.056 -2.299 1.00 1.00 C ATOM 53 CE2 PHE A 4 9.574 -3.551 -1.302 1.00 1.00 C ATOM 54 CZ PHE A 4 9.092 -2.924 -2.409 1.00 1.00 C ATOM 55 H PHE A 4 5.601 -2.098 3.539 1.00 1.00 H ATOM 56 HA PHE A 4 5.294 -1.893 0.629 1.00 1.00 H ATOM 57 HB2 PHE A 4 7.558 -1.138 1.746 1.00 1.00 H ATOM 58 HB3 PHE A 4 7.775 -2.822 2.181 1.00 1.00 H ATOM 59 HD1 PHE A 4 6.634 -1.107 -0.942 1.00 1.00 H ATOM 60 HD2 PHE A 4 9.377 -3.801 0.854 1.00 1.00 H ATOM 61 HE1 PHE A 4 7.665 -1.553 -3.186 1.00 1.00 H ATOM 62 HE2 PHE A 4 10.408 -4.247 -1.390 1.00 1.00 H ATOM 63 HZ PHE A 4 9.541 -3.118 -3.383 1.00 1.00 H ATOM 64 N ARG A 5 4.352 -4.157 2.131 1.00 1.00 N ATOM 65 CA ARG A 5 3.926 -5.541 2.250 1.00 1.00 C ATOM 66 C ARG A 5 2.424 -5.659 1.984 1.00 1.00 C ATOM 67 O ARG A 5 1.989 -6.533 1.235 1.00 1.00 O ATOM 68 CB ARG A 5 4.236 -6.096 3.642 1.00 1.00 C ATOM 69 CG ARG A 5 5.714 -6.467 3.768 1.00 1.00 C ATOM 70 CD ARG A 5 5.938 -7.445 4.923 1.00 1.00 C ATOM 71 NE ARG A 5 6.115 -6.700 6.190 1.00 1.00 N ATOM 72 CZ ARG A 5 5.148 -6.526 7.101 1.00 1.00 C ATOM 73 NH1 ARG A 5 3.923 -7.025 6.881 1.00 1.00 N ATOM 74 NH2 ARG A 5 5.405 -5.854 8.231 1.00 1.00 N ATOM 75 H ARG A 5 3.730 -3.488 2.537 1.00 1.00 H ATOM 76 HA ARG A 5 4.501 -6.076 1.494 1.00 1.00 H ATOM 77 HB2 ARG A 5 3.978 -5.354 4.398 1.00 1.00 H ATOM 78 HB3 ARG A 5 3.619 -6.974 3.833 1.00 1.00 H ATOM 79 HG2 ARG A 5 6.061 -6.914 2.836 1.00 1.00 H ATOM 80 HG3 ARG A 5 6.307 -5.566 3.929 1.00 1.00 H ATOM 81 HD2 ARG A 5 5.088 -8.123 5.006 1.00 1.00 H ATOM 82 HD3 ARG A 5 6.817 -8.058 4.727 1.00 1.00 H ATOM 83 HE ARG A 5 7.012 -6.301 6.377 1.00 1.00 H ATOM 84 HH11 ARG A 5 3.731 -7.524 6.037 1.00 1.00 H ATOM 85 HH12 ARG A 5 3.202 -6.897 7.562 1.00 1.00 H ATOM 86 HH21 ARG A 5 6.311 -5.459 8.383 1.00 1.00 H ATOM 87 HH22 ARG A 5 4.690 -5.747 8.923 1.00 1.00 H ATOM 88 N HIS A 6 1.672 -4.767 2.612 1.00 1.00 N ATOM 89 CA HIS A 6 0.225 -4.785 2.483 1.00 1.00 C ATOM 90 C HIS A 6 -0.328 -3.378 2.720 1.00 1.00 C ATOM 91 O HIS A 6 0.277 -2.582 3.437 1.00 1.00 O ATOM 92 CB HIS A 6 -0.391 -5.829 3.416 1.00 1.00 C ATOM 93 CG HIS A 6 -1.742 -6.332 2.968 1.00 1.00 C ATOM 94 ND1 HIS A 6 -2.916 -5.638 3.202 1.00 1.00 N ATOM 95 CD2 HIS A 6 -2.093 -7.467 2.297 1.00 1.00 C ATOM 96 CE1 HIS A 6 -3.922 -6.333 2.692 1.00 1.00 C ATOM 97 NE2 HIS A 6 -3.410 -7.466 2.132 1.00 1.00 N ATOM 98 H HIS A 6 2.036 -4.044 3.199 1.00 1.00 H ATOM 99 HA HIS A 6 0.006 -5.084 1.458 1.00 1.00 H ATOM 100 HB2 HIS A 6 0.292 -6.675 3.498 1.00 1.00 H ATOM 101 HB3 HIS A 6 -0.487 -5.399 4.413 1.00 1.00 H ATOM 102 HD2 HIS A 6 -1.408 -8.242 1.955 1.00 1.00 H ATOM 103 HE1 HIS A 6 -4.974 -6.049 2.715 1.00 1.00 H ATOM 104 HE2 HIS A 6 -3.933 -8.151 1.623 1.00 1.00 H ATOM 105 N ASP A 7 -1.472 -3.115 2.105 1.00 1.00 N ATOM 106 CA ASP A 7 -2.114 -1.819 2.242 1.00 1.00 C ATOM 107 C ASP A 7 -2.703 -1.693 3.649 1.00 1.00 C ATOM 108 O ASP A 7 -3.019 -0.592 4.097 1.00 1.00 O ATOM 109 CB ASP A 7 -3.256 -1.661 1.236 1.00 1.00 C ATOM 110 CG ASP A 7 -2.815 -1.381 -0.202 1.00 1.00 C ATOM 111 OD1 ASP A 7 -2.322 -2.336 -0.840 1.00 1.00 O ATOM 112 OD2 ASP A 7 -2.983 -0.219 -0.631 1.00 1.00 O ATOM 113 H ASP A 7 -1.957 -3.768 1.523 1.00 1.00 H ATOM 114 HA ASP A 7 -1.329 -1.088 2.052 1.00 1.00 H ATOM 115 HB2 ASP A 7 -3.857 -2.570 1.246 1.00 1.00 H ATOM 116 HB3 ASP A 7 -3.902 -0.848 1.567 1.00 1.00 H ATOM 117 N SER A 8 -2.834 -2.836 4.306 1.00 1.00 N ATOM 118 CA SER A 8 -3.373 -2.866 5.655 1.00 1.00 C ATOM 119 C SER A 8 -2.419 -2.152 6.615 1.00 1.00 C ATOM 120 O SER A 8 -2.778 -1.872 7.758 1.00 1.00 O ATOM 121 CB SER A 8 -3.615 -4.304 6.119 1.00 1.00 C ATOM 122 OG SER A 8 -4.118 -4.357 7.451 1.00 1.00 O ATOM 123 H SER A 8 -2.580 -3.728 3.932 1.00 1.00 H ATOM 124 HA SER A 8 -4.324 -2.338 5.598 1.00 1.00 H ATOM 125 HB2 SER A 8 -4.322 -4.788 5.445 1.00 1.00 H ATOM 126 HB3 SER A 8 -2.683 -4.866 6.061 1.00 1.00 H ATOM 127 HG SER A 8 -3.768 -3.584 7.980 1.00 1.00 H ATOM 128 N GLY A 9 -1.223 -1.878 6.116 1.00 1.00 N ATOM 129 CA GLY A 9 -0.228 -1.168 6.902 1.00 1.00 C ATOM 130 C GLY A 9 0.452 -0.079 6.071 1.00 1.00 C ATOM 131 O GLY A 9 1.676 0.049 6.091 1.00 1.00 O ATOM 132 H GLY A 9 -0.930 -2.132 5.194 1.00 1.00 H ATOM 133 HA2 GLY A 9 -0.702 -0.721 7.776 1.00 1.00 H ATOM 134 HA3 GLY A 9 0.519 -1.871 7.270 1.00 1.00 H ATOM 135 N TYR A 10 -0.369 0.678 5.359 1.00 1.00 N ATOM 136 CA TYR A 10 0.142 1.710 4.473 1.00 1.00 C ATOM 137 C TYR A 10 -0.482 3.069 4.795 1.00 1.00 C ATOM 138 O TYR A 10 -1.701 3.185 4.908 1.00 1.00 O ATOM 139 CB TYR A 10 -0.272 1.294 3.059 1.00 1.00 C ATOM 140 CG TYR A 10 0.402 2.105 1.950 1.00 1.00 C ATOM 141 CD1 TYR A 10 -0.023 3.390 1.679 1.00 1.00 C ATOM 142 CD2 TYR A 10 1.435 1.552 1.221 1.00 1.00 C ATOM 143 CE1 TYR A 10 0.611 4.153 0.635 1.00 1.00 C ATOM 144 CE2 TYR A 10 2.069 2.315 0.177 1.00 1.00 C ATOM 145 CZ TYR A 10 1.625 3.578 -0.064 1.00 1.00 C ATOM 146 OH TYR A 10 2.224 4.298 -1.050 1.00 1.00 O ATOM 147 H TYR A 10 -1.366 0.596 5.381 1.00 1.00 H ATOM 148 HA TYR A 10 1.221 1.771 4.615 1.00 1.00 H ATOM 149 HB2 TYR A 10 -0.036 0.239 2.918 1.00 1.00 H ATOM 150 HB3 TYR A 10 -1.353 1.395 2.964 1.00 1.00 H ATOM 151 HD1 TYR A 10 -0.839 3.827 2.255 1.00 1.00 H ATOM 152 HD2 TYR A 10 1.771 0.537 1.435 1.00 1.00 H ATOM 153 HE1 TYR A 10 0.284 5.168 0.411 1.00 1.00 H ATOM 154 HE2 TYR A 10 2.885 1.890 -0.406 1.00 1.00 H ATOM 155 HH TYR A 10 1.953 5.259 -0.984 1.00 1.00 H ATOM 156 N GLU A 11 0.383 4.063 4.935 1.00 1.00 N ATOM 157 CA GLU A 11 -0.070 5.413 5.222 1.00 1.00 C ATOM 158 C GLU A 11 -0.085 6.252 3.943 1.00 1.00 C ATOM 159 O GLU A 11 0.652 5.966 3.000 1.00 1.00 O ATOM 160 CB GLU A 11 0.803 6.067 6.296 1.00 1.00 C ATOM 161 CG GLU A 11 0.026 6.241 7.603 1.00 1.00 C ATOM 162 CD GLU A 11 -0.846 7.498 7.559 1.00 1.00 C ATOM 163 OE1 GLU A 11 -1.598 7.632 6.569 1.00 1.00 O ATOM 164 OE2 GLU A 11 -0.741 8.295 8.515 1.00 1.00 O ATOM 165 H GLU A 11 1.374 3.957 4.855 1.00 1.00 H ATOM 166 HA GLU A 11 -1.084 5.304 5.605 1.00 1.00 H ATOM 167 HB2 GLU A 11 1.687 5.455 6.473 1.00 1.00 H ATOM 168 HB3 GLU A 11 1.152 7.038 5.944 1.00 1.00 H ATOM 169 HG2 GLU A 11 -0.599 5.366 7.777 1.00 1.00 H ATOM 170 HG3 GLU A 11 0.723 6.307 8.438 1.00 1.00 H ATOM 171 N VAL A 12 -0.932 7.270 3.950 1.00 1.00 N ATOM 172 CA VAL A 12 -1.117 8.099 2.771 1.00 1.00 C ATOM 173 C VAL A 12 0.077 9.045 2.625 1.00 1.00 C ATOM 174 O VAL A 12 0.060 9.947 1.789 1.00 1.00 O ATOM 175 CB VAL A 12 -2.456 8.834 2.853 1.00 1.00 C ATOM 176 CG1 VAL A 12 -2.371 10.022 3.814 1.00 1.00 C ATOM 177 CG2 VAL A 12 -2.921 9.283 1.466 1.00 1.00 C ATOM 178 H VAL A 12 -1.486 7.531 4.741 1.00 1.00 H ATOM 179 HA VAL A 12 -1.148 7.437 1.905 1.00 1.00 H ATOM 180 HB VAL A 12 -3.197 8.138 3.246 1.00 1.00 H ATOM 181 HG11 VAL A 12 -3.376 10.380 4.039 1.00 1.00 H ATOM 182 HG12 VAL A 12 -1.882 9.709 4.736 1.00 1.00 H ATOM 183 HG13 VAL A 12 -1.796 10.823 3.351 1.00 1.00 H ATOM 184 HG21 VAL A 12 -3.938 9.669 1.531 1.00 1.00 H ATOM 185 HG22 VAL A 12 -2.258 10.065 1.096 1.00 1.00 H ATOM 186 HG23 VAL A 12 -2.898 8.433 0.783 1.00 1.00 H ATOM 187 N HIS A 13 1.084 8.806 3.452 1.00 1.00 N ATOM 188 CA HIS A 13 2.298 9.603 3.402 1.00 1.00 C ATOM 189 C HIS A 13 3.045 9.320 2.098 1.00 1.00 C ATOM 190 O HIS A 13 3.465 10.245 1.405 1.00 1.00 O ATOM 191 CB HIS A 13 3.158 9.361 4.644 1.00 1.00 C ATOM 192 CG HIS A 13 2.511 9.799 5.936 1.00 1.00 C ATOM 193 ND1 HIS A 13 3.198 10.479 6.926 1.00 1.00 N ATOM 194 CD2 HIS A 13 1.233 9.648 6.388 1.00 1.00 C ATOM 195 CE1 HIS A 13 2.362 10.720 7.925 1.00 1.00 C ATOM 196 NE2 HIS A 13 1.144 10.204 7.590 1.00 1.00 N ATOM 197 H HIS A 13 1.080 8.085 4.145 1.00 1.00 H ATOM 198 HA HIS A 13 1.986 10.648 3.413 1.00 1.00 H ATOM 199 HB2 HIS A 13 3.393 8.298 4.709 1.00 1.00 H ATOM 200 HB3 HIS A 13 4.105 9.889 4.526 1.00 1.00 H ATOM 201 HD2 HIS A 13 0.421 9.155 5.852 1.00 1.00 H ATOM 202 HE1 HIS A 13 2.604 11.240 8.852 1.00 1.00 H ATOM 203 HE2 HIS A 13 0.308 10.289 8.131 1.00 1.00 H ATOM 204 N HIS A 14 3.188 8.036 1.802 1.00 1.00 N ATOM 205 CA HIS A 14 3.870 7.619 0.589 1.00 1.00 C ATOM 206 C HIS A 14 2.863 7.529 -0.560 1.00 1.00 C ATOM 207 O HIS A 14 1.805 6.918 -0.417 1.00 1.00 O ATOM 208 CB HIS A 14 4.630 6.310 0.815 1.00 1.00 C ATOM 209 CG HIS A 14 5.384 5.821 -0.399 1.00 1.00 C ATOM 210 ND1 HIS A 14 6.099 6.667 -1.229 1.00 1.00 N ATOM 211 CD2 HIS A 14 5.528 4.566 -0.912 1.00 1.00 C ATOM 212 CE1 HIS A 14 6.644 5.943 -2.195 1.00 1.00 C ATOM 213 NE2 HIS A 14 6.289 4.641 -1.997 1.00 1.00 N ATOM 214 H HIS A 14 2.849 7.289 2.374 1.00 1.00 H ATOM 215 HA HIS A 14 4.602 8.393 0.359 1.00 1.00 H ATOM 216 HB2 HIS A 14 5.333 6.448 1.636 1.00 1.00 H ATOM 217 HB3 HIS A 14 3.923 5.541 1.125 1.00 1.00 H ATOM 218 HD2 HIS A 14 5.093 3.655 -0.500 1.00 1.00 H ATOM 219 HE1 HIS A 14 7.267 6.321 -3.006 1.00 1.00 H ATOM 220 HE2 HIS A 14 6.603 3.863 -2.542 1.00 1.00 H ATOM 221 N GLN A 15 3.228 8.147 -1.674 1.00 1.00 N ATOM 222 CA GLN A 15 2.353 8.177 -2.834 1.00 1.00 C ATOM 223 C GLN A 15 2.415 6.842 -3.579 1.00 1.00 C ATOM 224 O GLN A 15 3.471 6.451 -4.073 1.00 1.00 O ATOM 225 CB GLN A 15 2.713 9.339 -3.762 1.00 1.00 C ATOM 226 CG GLN A 15 2.691 10.670 -3.007 1.00 1.00 C ATOM 227 CD GLN A 15 1.382 10.841 -2.234 1.00 1.00 C ATOM 228 OE1 GLN A 15 0.306 10.946 -2.799 1.00 1.00 O ATOM 229 NE2 GLN A 15 1.532 10.863 -0.912 1.00 1.00 N ATOM 230 H GLN A 15 4.101 8.621 -1.790 1.00 1.00 H ATOM 231 HA GLN A 15 1.350 8.333 -2.437 1.00 1.00 H ATOM 232 HB2 GLN A 15 3.702 9.176 -4.189 1.00 1.00 H ATOM 233 HB3 GLN A 15 2.008 9.377 -4.592 1.00 1.00 H ATOM 234 HG2 GLN A 15 3.533 10.714 -2.316 1.00 1.00 H ATOM 235 HG3 GLN A 15 2.812 11.494 -3.710 1.00 1.00 H ATOM 236 HE21 GLN A 15 2.445 10.781 -0.512 1.00 1.00 H ATOM 237 HE22 GLN A 15 0.733 10.961 -0.320 1.00 1.00 H ATOM 238 N LYS A 16 1.269 6.179 -3.635 1.00 1.00 N ATOM 239 CA LYS A 16 1.188 4.878 -4.276 1.00 1.00 C ATOM 240 C LYS A 16 1.043 5.066 -5.788 1.00 1.00 C ATOM 241 O LYS A 16 0.016 4.713 -6.365 1.00 1.00 O ATOM 242 CB LYS A 16 0.070 4.041 -3.651 1.00 1.00 C ATOM 243 CG LYS A 16 0.309 2.547 -3.881 1.00 1.00 C ATOM 244 CD LYS A 16 -0.840 1.714 -3.310 1.00 1.00 C ATOM 245 CE LYS A 16 -0.510 0.221 -3.355 1.00 1.00 C ATOM 246 NZ LYS A 16 -1.685 -0.583 -2.949 1.00 1.00 N ATOM 247 H LYS A 16 0.408 6.516 -3.254 1.00 1.00 H ATOM 248 HA LYS A 16 2.127 4.359 -4.081 1.00 1.00 H ATOM 249 HB2 LYS A 16 0.014 4.243 -2.581 1.00 1.00 H ATOM 250 HB3 LYS A 16 -0.889 4.330 -4.080 1.00 1.00 H ATOM 251 HG2 LYS A 16 0.409 2.352 -4.949 1.00 1.00 H ATOM 252 HG3 LYS A 16 1.247 2.249 -3.413 1.00 1.00 H ATOM 253 HD2 LYS A 16 -1.037 2.016 -2.282 1.00 1.00 H ATOM 254 HD3 LYS A 16 -1.751 1.905 -3.879 1.00 1.00 H ATOM 255 HE2 LYS A 16 -0.200 -0.060 -4.362 1.00 1.00 H ATOM 256 HE3 LYS A 16 0.330 0.008 -2.693 1.00 1.00 H ATOM 257 HZ1 LYS A 16 -2.062 -0.215 -2.099 1.00 1.00 H ATOM 258 HZ2 LYS A 16 -2.380 -0.543 -3.667 1.00 1.00 H ATOM 259 HZ3 LYS A 16 -1.406 -1.533 -2.807 1.00 1.00 H HETATM 260 N NH2 A 17 2.086 5.623 -6.385 1.00 1.00 N HETATM 261 HN1 NH2 A 17 2.072 5.782 -7.387 1.00 1.00 H HETATM 262 HN2 NH2 A 17 2.900 5.889 -5.841 1.00 1.00 H TER 263 NH2 A 17