USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 612 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 3.912 13.040 -2.401 1.00 0.00 C HETATM 2 O ACE A 1 4.013 12.121 -3.177 1.00 0.00 O HETATM 3 CH3 ACE A 1 5.002 14.037 -2.251 1.00 0.00 C HETATM 0 H1 ACE A 1 4.624 15.029 -2.499 1.00 0.00 H new HETATM 0 H2 ACE A 1 5.361 14.032 -1.222 1.00 0.00 H new HETATM 0 H3 ACE A 1 5.822 13.783 -2.922 1.00 0.00 H new ATOM 7 N ALA A 2 2.832 13.270 -1.707 1.00 0.00 N ATOM 8 CA ALA A 2 1.574 12.666 -1.982 1.00 0.00 C ATOM 9 C ALA A 2 1.024 12.978 -3.345 1.00 0.00 C ATOM 10 O ALA A 2 -0.011 12.471 -3.706 1.00 0.00 O ATOM 11 CB ALA A 2 0.604 13.029 -0.897 1.00 0.00 C ATOM 0 H ALA A 2 2.811 13.906 -0.909 1.00 0.00 H new ATOM 0 HA ALA A 2 1.732 11.588 -1.994 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.362 12.568 -1.103 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.979 12.671 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.489 14.112 -0.860 1.00 0.00 H new ATOM 17 N LYS A 3 1.721 13.768 -4.136 1.00 0.00 N ATOM 18 CA LYS A 3 1.507 13.878 -5.546 1.00 0.00 C ATOM 19 C LYS A 3 1.438 12.548 -6.265 1.00 0.00 C ATOM 20 O LYS A 3 0.675 12.402 -7.193 1.00 0.00 O ATOM 21 CB LYS A 3 2.580 14.745 -6.140 1.00 0.00 C ATOM 22 CG LYS A 3 2.692 16.128 -5.541 1.00 0.00 C ATOM 23 CD LYS A 3 1.466 16.979 -5.630 1.00 0.00 C ATOM 24 CE LYS A 3 1.073 17.262 -7.043 1.00 0.00 C ATOM 25 NZ LYS A 3 -0.042 18.134 -7.132 1.00 0.00 N ATOM 0 H LYS A 3 2.473 14.366 -3.794 1.00 0.00 H new ATOM 0 HA LYS A 3 0.526 14.332 -5.684 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.539 14.238 -6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.395 14.843 -7.210 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.965 16.027 -4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.511 16.651 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.642 16.480 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.641 17.920 -5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.919 17.704 -7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.838 16.324 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.275 18.299 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.858 17.704 -6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.189 19.040 -6.676 1.00 0.00 H new ATOM 39 N ALA A 4 2.175 11.559 -5.776 1.00 0.00 N ATOM 40 CA ALA A 4 2.203 10.196 -6.241 1.00 0.00 C ATOM 41 C ALA A 4 1.055 9.318 -5.787 1.00 0.00 C ATOM 42 O ALA A 4 0.958 8.153 -6.137 1.00 0.00 O ATOM 43 CB ALA A 4 3.523 9.623 -5.768 1.00 0.00 C ATOM 0 H ALA A 4 2.809 11.708 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 4 2.094 10.209 -7.325 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.606 8.585 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.344 10.201 -6.192 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.571 9.670 -4.680 1.00 0.00 H new ATOM 49 N ALA A 5 0.142 9.816 -4.966 1.00 0.00 N ATOM 50 CA ALA A 5 -0.875 9.075 -4.255 1.00 0.00 C ATOM 51 C ALA A 5 -2.181 8.905 -5.005 1.00 0.00 C ATOM 52 O ALA A 5 -3.192 8.572 -4.418 1.00 0.00 O ATOM 53 CB ALA A 5 -1.042 9.700 -2.889 1.00 0.00 C ATOM 0 H ALA A 5 0.094 10.816 -4.770 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.535 8.045 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.806 9.158 -2.332 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.096 9.653 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.345 10.741 -3.000 1.00 0.00 H new ATOM 59 N ALA A 6 -2.186 9.054 -6.318 1.00 0.00 N ATOM 60 CA ALA A 6 -3.061 8.302 -7.180 1.00 0.00 C ATOM 61 C ALA A 6 -2.309 7.140 -7.777 1.00 0.00 C ATOM 62 O ALA A 6 -2.739 6.012 -7.638 1.00 0.00 O ATOM 63 CB ALA A 6 -3.703 9.212 -8.206 1.00 0.00 C ATOM 0 H ALA A 6 -1.577 9.706 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.885 7.877 -6.607 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.361 8.628 -8.849 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.283 9.982 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.928 9.682 -8.811 1.00 0.00 H new ATOM 69 N ALA A 7 -1.154 7.397 -8.382 1.00 0.00 N ATOM 70 CA ALA A 7 -0.362 6.452 -9.138 1.00 0.00 C ATOM 71 C ALA A 7 0.047 5.210 -8.369 1.00 0.00 C ATOM 72 O ALA A 7 0.033 4.116 -8.894 1.00 0.00 O ATOM 73 CB ALA A 7 0.848 7.180 -9.695 1.00 0.00 C ATOM 0 H ALA A 7 -0.728 8.323 -8.352 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.992 6.071 -9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.459 6.484 -10.269 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.518 7.992 -10.343 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.437 7.588 -8.874 1.00 0.00 H new ATOM 79 N ALA A 8 0.340 5.346 -7.083 1.00 0.00 N ATOM 80 CA ALA A 8 0.637 4.259 -6.183 1.00 0.00 C ATOM 81 C ALA A 8 -0.582 3.395 -5.920 1.00 0.00 C ATOM 82 O ALA A 8 -0.565 2.181 -5.943 1.00 0.00 O ATOM 83 CB ALA A 8 1.132 4.837 -4.868 1.00 0.00 C ATOM 0 H ALA A 8 0.377 6.258 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 8 1.398 3.630 -6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.361 4.026 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.031 5.427 -5.045 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.360 5.474 -4.437 1.00 0.00 H new ATOM 89 N ILE A 9 -1.684 4.073 -5.637 1.00 0.00 N ATOM 90 CA ILE A 9 -2.904 3.470 -5.152 1.00 0.00 C ATOM 91 C ILE A 9 -3.578 2.706 -6.275 1.00 0.00 C ATOM 92 O ILE A 9 -4.081 1.611 -6.080 1.00 0.00 O ATOM 93 CB ILE A 9 -3.852 4.539 -4.635 1.00 0.00 C ATOM 94 CG1 ILE A 9 -3.181 5.553 -3.730 1.00 0.00 C ATOM 95 CG2 ILE A 9 -5.024 3.845 -3.982 1.00 0.00 C ATOM 96 CD1 ILE A 9 -2.657 5.014 -2.417 1.00 0.00 C ATOM 0 H ILE A 9 -1.750 5.085 -5.743 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.656 2.788 -4.339 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.206 5.140 -5.473 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.351 6.005 -4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.894 6.350 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.722 4.590 -3.601 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.529 3.216 -4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.668 3.227 -3.158 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.197 5.823 -1.849 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.481 4.590 -1.843 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.915 4.240 -2.612 1.00 0.00 H new ATOM 108 N LYS A 10 -3.553 3.261 -7.480 1.00 0.00 N ATOM 109 CA LYS A 10 -4.185 2.740 -8.667 1.00 0.00 C ATOM 110 C LYS A 10 -3.480 1.512 -9.207 1.00 0.00 C ATOM 111 O LYS A 10 -4.116 0.699 -9.846 1.00 0.00 O ATOM 112 CB LYS A 10 -4.234 3.861 -9.691 1.00 0.00 C ATOM 113 CG LYS A 10 -5.304 4.870 -9.395 1.00 0.00 C ATOM 114 CD LYS A 10 -5.348 6.003 -10.385 1.00 0.00 C ATOM 115 CE LYS A 10 -5.901 5.595 -11.701 1.00 0.00 C ATOM 116 NZ LYS A 10 -5.942 6.647 -12.608 1.00 0.00 N ATOM 0 H LYS A 10 -3.061 4.137 -7.656 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.194 2.405 -8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.266 4.362 -9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.404 3.436 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.272 4.369 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.144 5.276 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.953 6.813 -9.977 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.341 6.397 -10.525 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.295 4.788 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.907 5.199 -11.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.335 6.312 -13.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.542 7.408 -12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.980 7.009 -12.763 1.00 0.00 H new ATOM 130 N ALA A 11 -2.212 1.320 -8.873 1.00 0.00 N ATOM 131 CA ALA A 11 -1.572 0.024 -8.892 1.00 0.00 C ATOM 132 C ALA A 11 -2.085 -0.860 -7.772 1.00 0.00 C ATOM 133 O ALA A 11 -2.715 -1.866 -8.060 1.00 0.00 O ATOM 134 CB ALA A 11 -0.072 0.238 -8.895 1.00 0.00 C ATOM 0 H ALA A 11 -1.594 2.076 -8.577 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.825 -0.526 -9.799 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.433 -0.728 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.212 0.809 -9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.219 0.787 -7.999 1.00 0.00 H new ATOM 140 N ILE A 12 -1.847 -0.489 -6.519 1.00 0.00 N ATOM 141 CA ILE A 12 -1.975 -1.416 -5.417 1.00 0.00 C ATOM 142 C ILE A 12 -3.401 -1.895 -5.207 1.00 0.00 C ATOM 143 O ILE A 12 -3.606 -3.083 -5.018 1.00 0.00 O ATOM 144 CB ILE A 12 -1.295 -0.869 -4.173 1.00 0.00 C ATOM 145 CG1 ILE A 12 -1.005 -2.042 -3.269 1.00 0.00 C ATOM 146 CG2 ILE A 12 -2.124 0.172 -3.448 1.00 0.00 C ATOM 147 CD1 ILE A 12 -0.520 -1.794 -1.873 1.00 0.00 C ATOM 0 H ILE A 12 -1.564 0.452 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.439 -2.329 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.380 -0.355 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.918 -2.633 -3.198 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.261 -2.663 -3.768 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.582 0.522 -2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.316 1.013 -4.114 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.071 -0.269 -3.138 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.363 -2.747 -1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.419 -1.242 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.263 -1.212 -1.328 1.00 0.00 H new ATOM 159 N ALA A 13 -4.411 -1.033 -5.310 1.00 0.00 N ATOM 160 CA ALA A 13 -5.783 -1.473 -5.175 1.00 0.00 C ATOM 161 C ALA A 13 -6.222 -2.410 -6.284 1.00 0.00 C ATOM 162 O ALA A 13 -7.042 -3.288 -6.065 1.00 0.00 O ATOM 163 CB ALA A 13 -6.687 -0.255 -5.068 1.00 0.00 C ATOM 0 H ALA A 13 -4.299 -0.034 -5.485 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.861 -2.063 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.723 -0.579 -4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.403 0.333 -4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.584 0.355 -5.966 1.00 0.00 H new ATOM 169 N ALA A 14 -5.656 -2.252 -7.477 1.00 0.00 N ATOM 170 CA ALA A 14 -5.897 -3.101 -8.622 1.00 0.00 C ATOM 171 C ALA A 14 -5.152 -4.418 -8.541 1.00 0.00 C ATOM 172 O ALA A 14 -5.653 -5.455 -8.943 1.00 0.00 O ATOM 173 CB ALA A 14 -5.547 -2.357 -9.889 1.00 0.00 C ATOM 0 H ALA A 14 -4.995 -1.500 -7.672 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.958 -3.352 -8.630 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.730 -2.999 -10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.163 -1.461 -9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.495 -2.073 -9.865 1.00 0.00 H new ATOM 179 N ILE A 15 -3.943 -4.405 -7.981 1.00 0.00 N ATOM 180 CA ILE A 15 -3.140 -5.569 -7.685 1.00 0.00 C ATOM 181 C ILE A 15 -3.797 -6.360 -6.568 1.00 0.00 C ATOM 182 O ILE A 15 -3.898 -7.570 -6.667 1.00 0.00 O ATOM 183 CB ILE A 15 -1.702 -5.169 -7.401 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.041 -4.567 -8.625 1.00 0.00 C ATOM 185 CG2 ILE A 15 -0.849 -6.349 -6.979 1.00 0.00 C ATOM 186 CD1 ILE A 15 0.138 -3.654 -8.361 1.00 0.00 C ATOM 0 H ILE A 15 -3.483 -3.535 -7.712 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.089 -6.230 -8.550 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.761 -4.441 -6.592 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.708 -5.380 -9.271 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.793 -4.006 -9.180 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.170 -6.012 -6.788 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.262 -6.790 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.841 -7.095 -7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.530 -3.283 -9.308 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.183 -2.813 -7.747 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.917 -4.208 -7.838 1.00 0.00 H new ATOM 198 N ILE A 16 -4.366 -5.717 -5.554 1.00 0.00 N ATOM 199 CA ILE A 16 -5.209 -6.281 -4.524 1.00 0.00 C ATOM 200 C ILE A 16 -6.446 -6.963 -5.080 1.00 0.00 C ATOM 201 O ILE A 16 -6.720 -8.079 -4.680 1.00 0.00 O ATOM 202 CB ILE A 16 -5.484 -5.268 -3.418 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.181 -5.026 -2.665 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.591 -5.684 -2.462 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.266 -4.078 -1.486 1.00 0.00 C ATOM 0 H ILE A 16 -4.236 -4.713 -5.428 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.657 -7.092 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.845 -4.352 -3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.806 -5.985 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.444 -4.636 -3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.727 -4.912 -1.705 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.520 -5.816 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.321 -6.623 -1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.283 -3.980 -1.026 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.605 -3.100 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.972 -4.470 -0.754 1.00 0.00 H new ATOM 217 N LYS A 17 -7.141 -6.326 -6.017 1.00 0.00 N ATOM 218 CA LYS A 17 -8.277 -6.852 -6.733 1.00 0.00 C ATOM 219 C LYS A 17 -7.990 -8.115 -7.524 1.00 0.00 C ATOM 220 O LYS A 17 -8.861 -8.942 -7.705 1.00 0.00 O ATOM 221 CB LYS A 17 -8.820 -5.697 -7.557 1.00 0.00 C ATOM 222 CG LYS A 17 -9.893 -6.017 -8.579 1.00 0.00 C ATOM 223 CD LYS A 17 -11.181 -6.467 -7.963 1.00 0.00 C ATOM 224 CE LYS A 17 -11.944 -7.099 -8.890 1.00 0.00 C ATOM 225 NZ LYS A 17 -13.207 -7.560 -8.520 1.00 0.00 N ATOM 0 H LYS A 17 -6.906 -5.377 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.036 -7.211 -6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.220 -4.951 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.984 -5.233 -8.080 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.079 -5.133 -9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.527 -6.795 -9.249 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.979 -7.138 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.720 -5.609 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.075 -6.417 -9.730 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.376 -7.953 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.662 -8.018 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.112 -8.247 -7.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.790 -6.759 -8.203 1.00 0.00 H new ATOM 239 N ALA A 18 -6.740 -8.342 -7.904 1.00 0.00 N ATOM 240 CA ALA A 18 -6.250 -9.586 -8.445 1.00 0.00 C ATOM 241 C ALA A 18 -5.856 -10.557 -7.356 1.00 0.00 C ATOM 242 O ALA A 18 -6.239 -11.703 -7.419 1.00 0.00 O ATOM 243 CB ALA A 18 -5.107 -9.326 -9.399 1.00 0.00 C ATOM 0 H ALA A 18 -6.015 -7.628 -7.837 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.061 -10.056 -9.001 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.746 -10.273 -9.801 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.452 -8.693 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.297 -8.824 -8.869 1.00 0.00 H new ATOM 249 N GLY A 19 -5.076 -10.150 -6.369 1.00 0.00 N ATOM 250 CA GLY A 19 -4.559 -11.014 -5.336 1.00 0.00 C ATOM 251 C GLY A 19 -5.594 -11.586 -4.399 1.00 0.00 C ATOM 252 O GLY A 19 -5.528 -12.736 -4.066 1.00 0.00 O ATOM 0 H GLY A 19 -4.780 -9.179 -6.267 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.024 -11.838 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.830 -10.456 -4.749 1.00 0.00 H new ATOM 256 N GLY A 20 -6.564 -10.813 -3.939 1.00 0.00 N ATOM 257 CA GLY A 20 -7.504 -11.195 -2.919 1.00 0.00 C ATOM 258 C GLY A 20 -6.904 -11.229 -1.539 1.00 0.00 C ATOM 259 O GLY A 20 -7.193 -12.118 -0.782 1.00 0.00 O ATOM 0 H GLY A 20 -6.717 -9.866 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.341 -10.497 -2.927 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.907 -12.179 -3.157 1.00 0.00 H new ATOM 263 N PHE A 21 -6.045 -10.270 -1.231 1.00 0.00 N ATOM 264 CA PHE A 21 -5.280 -10.174 -0.012 1.00 0.00 C ATOM 265 C PHE A 21 -6.091 -10.210 1.248 1.00 0.00 C ATOM 266 O PHE A 21 -5.861 -10.948 2.153 1.00 0.00 O ATOM 267 CB PHE A 21 -4.477 -8.886 -0.071 1.00 0.00 C ATOM 268 CG PHE A 21 -3.328 -8.905 -1.035 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.565 -8.519 -2.347 1.00 0.00 C ATOM 270 CD2 PHE A 21 -2.028 -9.104 -0.604 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.501 -8.190 -3.187 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.957 -8.803 -1.448 1.00 0.00 C ATOM 273 CZ PHE A 21 -1.201 -8.344 -2.732 1.00 0.00 C ATOM 0 H PHE A 21 -5.857 -9.495 -1.867 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.646 -11.059 0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.146 -8.069 -0.341 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.093 -8.667 0.926 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.578 -8.473 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.842 -9.493 0.386 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.689 -7.818 -4.184 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.058 -8.928 -1.101 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.373 -8.105 -3.383 1.00 0.00 H new HETATM 283 N NH2 A 22 -7.041 -9.333 1.370 1.00 0.00 N TER 286 NH2 A 22 HETATM 287 C ACE B 23 -2.094 -13.306 -1.623 1.00 0.00 C HETATM 288 O ACE B 23 -1.832 -12.604 -2.579 1.00 0.00 O HETATM 289 CH3 ACE B 23 -3.413 -14.021 -1.606 1.00 0.00 C HETATM 0 H1 ACE B 23 -3.243 -15.097 -1.555 1.00 0.00 H new HETATM 0 H2 ACE B 23 -3.988 -13.703 -0.736 1.00 0.00 H new HETATM 0 H3 ACE B 23 -3.967 -13.784 -2.514 1.00 0.00 H new ATOM 293 N ALA B 24 -1.253 -13.523 -0.626 1.00 0.00 N ATOM 294 CA ALA B 24 0.108 -13.048 -0.593 1.00 0.00 C ATOM 295 C ALA B 24 0.962 -13.627 -1.692 1.00 0.00 C ATOM 296 O ALA B 24 2.087 -13.195 -1.891 1.00 0.00 O ATOM 297 CB ALA B 24 0.715 -13.261 0.773 1.00 0.00 C ATOM 0 H ALA B 24 -1.513 -14.052 0.206 1.00 0.00 H new ATOM 0 HA ALA B 24 0.077 -11.975 -0.785 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.742 -12.896 0.776 1.00 0.00 H new ATOM 0 HB2 ALA B 24 0.134 -12.717 1.518 1.00 0.00 H new ATOM 0 HB3 ALA B 24 0.708 -14.324 1.013 1.00 0.00 H new ATOM 303 N LYS B 25 0.430 -14.533 -2.501 1.00 0.00 N ATOM 304 CA LYS B 25 0.962 -14.877 -3.796 1.00 0.00 C ATOM 305 C LYS B 25 1.182 -13.695 -4.697 1.00 0.00 C ATOM 306 O LYS B 25 2.119 -13.653 -5.427 1.00 0.00 O ATOM 307 CB LYS B 25 0.070 -15.902 -4.462 1.00 0.00 C ATOM 308 CG LYS B 25 0.142 -17.267 -3.840 1.00 0.00 C ATOM 309 CD LYS B 25 -0.809 -18.215 -4.298 1.00 0.00 C ATOM 310 CE LYS B 25 -0.655 -19.586 -3.738 1.00 0.00 C ATOM 311 NZ LYS B 25 -1.621 -20.528 -4.112 1.00 0.00 N ATOM 0 H LYS B 25 -0.409 -15.060 -2.259 1.00 0.00 H new ATOM 0 HA LYS B 25 1.951 -15.301 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.961 -15.551 -4.425 1.00 0.00 H new ATOM 0 HB3 LYS B 25 0.343 -15.978 -5.514 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.139 -17.671 -4.014 1.00 0.00 H new ATOM 0 HG3 LYS B 25 0.026 -17.159 -2.762 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.807 -17.851 -4.056 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -0.746 -18.274 -5.385 1.00 0.00 H new ATOM 0 HE2 LYS B 25 0.323 -19.966 -4.032 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.655 -19.512 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -1.408 -21.441 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.560 -20.202 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.613 -20.642 -5.146 1.00 0.00 H new ATOM 325 N ALA B 26 0.349 -12.693 -4.585 1.00 0.00 N ATOM 326 CA ALA B 26 0.364 -11.438 -5.287 1.00 0.00 C ATOM 327 C ALA B 26 1.247 -10.376 -4.663 1.00 0.00 C ATOM 328 O ALA B 26 1.330 -9.281 -5.187 1.00 0.00 O ATOM 329 CB ALA B 26 -1.060 -10.945 -5.338 1.00 0.00 C ATOM 0 H ALA B 26 -0.435 -12.742 -3.934 1.00 0.00 H new ATOM 0 HA ALA B 26 0.789 -11.615 -6.275 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.096 -9.991 -5.864 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.678 -11.673 -5.863 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.436 -10.814 -4.323 1.00 0.00 H new ATOM 335 N ALA B 27 1.819 -10.643 -3.497 1.00 0.00 N ATOM 336 CA ALA B 27 2.353 -9.619 -2.633 1.00 0.00 C ATOM 337 C ALA B 27 3.465 -8.798 -3.258 1.00 0.00 C ATOM 338 O ALA B 27 3.306 -7.589 -3.273 1.00 0.00 O ATOM 339 CB ALA B 27 2.722 -10.173 -1.275 1.00 0.00 C ATOM 0 H ALA B 27 1.923 -11.588 -3.128 1.00 0.00 H new ATOM 0 HA ALA B 27 1.543 -8.905 -2.482 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.121 -9.373 -0.652 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.836 -10.595 -0.801 1.00 0.00 H new ATOM 0 HB3 ALA B 27 3.476 -10.951 -1.392 1.00 0.00 H new ATOM 345 N ALA B 28 4.545 -9.387 -3.769 1.00 0.00 N ATOM 346 CA ALA B 28 5.662 -8.660 -4.326 1.00 0.00 C ATOM 347 C ALA B 28 5.237 -7.617 -5.338 1.00 0.00 C ATOM 348 O ALA B 28 5.740 -6.509 -5.340 1.00 0.00 O ATOM 349 CB ALA B 28 6.670 -9.653 -4.866 1.00 0.00 C ATOM 0 H ALA B 28 4.661 -10.400 -3.804 1.00 0.00 H new ATOM 0 HA ALA B 28 6.141 -8.080 -3.537 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.519 -9.116 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.015 -10.297 -4.057 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.203 -10.261 -5.640 1.00 0.00 H new ATOM 355 N ALA B 29 4.217 -7.881 -6.143 1.00 0.00 N ATOM 356 CA ALA B 29 3.701 -6.900 -7.069 1.00 0.00 C ATOM 357 C ALA B 29 3.147 -5.676 -6.370 1.00 0.00 C ATOM 358 O ALA B 29 3.397 -4.572 -6.826 1.00 0.00 O ATOM 359 CB ALA B 29 2.670 -7.541 -7.974 1.00 0.00 C ATOM 0 H ALA B 29 3.731 -8.777 -6.168 1.00 0.00 H new ATOM 0 HA ALA B 29 4.532 -6.545 -7.678 1.00 0.00 H new ATOM 0 HB1 ALA B 29 2.284 -6.797 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA B 29 3.132 -8.355 -8.532 1.00 0.00 H new ATOM 0 HB3 ALA B 29 1.851 -7.933 -7.372 1.00 0.00 H new ATOM 365 N ALA B 30 2.385 -5.865 -5.296 1.00 0.00 N ATOM 366 CA ALA B 30 1.746 -4.801 -4.559 1.00 0.00 C ATOM 367 C ALA B 30 2.748 -4.017 -3.737 1.00 0.00 C ATOM 368 O ALA B 30 2.697 -2.805 -3.730 1.00 0.00 O ATOM 369 CB ALA B 30 0.701 -5.392 -3.626 1.00 0.00 C ATOM 0 H ALA B 30 2.196 -6.791 -4.911 1.00 0.00 H new ATOM 0 HA ALA B 30 1.282 -4.125 -5.277 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.217 -4.591 -3.068 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -0.046 -5.930 -4.210 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.182 -6.080 -2.930 1.00 0.00 H new ATOM 375 N ILE B 31 3.702 -4.692 -3.109 1.00 0.00 N ATOM 376 CA ILE B 31 4.754 -4.047 -2.357 1.00 0.00 C ATOM 377 C ILE B 31 5.620 -3.186 -3.259 1.00 0.00 C ATOM 378 O ILE B 31 5.868 -2.027 -2.965 1.00 0.00 O ATOM 379 CB ILE B 31 5.637 -5.049 -1.629 1.00 0.00 C ATOM 380 CG1 ILE B 31 4.935 -6.117 -0.804 1.00 0.00 C ATOM 381 CG2 ILE B 31 6.579 -4.331 -0.676 1.00 0.00 C ATOM 382 CD1 ILE B 31 3.757 -5.661 0.040 1.00 0.00 C ATOM 0 H ILE B 31 3.762 -5.710 -3.111 1.00 0.00 H new ATOM 0 HA ILE B 31 4.261 -3.419 -1.615 1.00 0.00 H new ATOM 0 HB ILE B 31 6.139 -5.559 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.587 -6.897 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE B 31 5.671 -6.575 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE B 31 7.204 -5.062 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.211 -3.644 -1.238 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.998 -3.772 0.057 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.344 -6.514 0.579 1.00 0.00 H new ATOM 0 HD12 ILE B 31 4.091 -4.907 0.753 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.990 -5.234 -0.606 1.00 0.00 H new ATOM 394 N LYS B 32 6.101 -3.753 -4.365 1.00 0.00 N ATOM 395 CA LYS B 32 6.978 -3.103 -5.311 1.00 0.00 C ATOM 396 C LYS B 32 6.307 -1.876 -5.898 1.00 0.00 C ATOM 397 O LYS B 32 6.905 -0.837 -5.971 1.00 0.00 O ATOM 398 CB LYS B 32 7.418 -4.091 -6.377 1.00 0.00 C ATOM 399 CG LYS B 32 8.442 -5.082 -5.853 1.00 0.00 C ATOM 400 CD LYS B 32 9.015 -5.956 -6.955 1.00 0.00 C ATOM 401 CE LYS B 32 8.000 -6.878 -7.593 1.00 0.00 C ATOM 402 NZ LYS B 32 8.513 -7.649 -8.704 1.00 0.00 N ATOM 0 H LYS B 32 5.876 -4.713 -4.627 1.00 0.00 H new ATOM 0 HA LYS B 32 7.876 -2.758 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS B 32 6.548 -4.632 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS B 32 7.841 -3.547 -7.222 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.252 -4.540 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS B 32 7.978 -5.714 -5.095 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.446 -5.317 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS B 32 9.829 -6.555 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS B 32 7.621 -7.563 -6.834 1.00 0.00 H new ATOM 0 HE3 LYS B 32 7.153 -6.284 -7.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 7.758 -8.254 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 8.849 -7.005 -9.448 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 9.302 -8.244 -8.379 1.00 0.00 H new ATOM 416 N ALA B 33 5.026 -1.959 -6.209 1.00 0.00 N ATOM 417 CA ALA B 33 4.246 -0.866 -6.742 1.00 0.00 C ATOM 418 C ALA B 33 3.893 0.222 -5.748 1.00 0.00 C ATOM 419 O ALA B 33 3.308 1.214 -6.135 1.00 0.00 O ATOM 420 CB ALA B 33 3.005 -1.412 -7.424 1.00 0.00 C ATOM 0 H ALA B 33 4.487 -2.817 -6.093 1.00 0.00 H new ATOM 0 HA ALA B 33 4.889 -0.365 -7.466 1.00 0.00 H new ATOM 0 HB1 ALA B 33 2.417 -0.586 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.299 -2.077 -8.236 1.00 0.00 H new ATOM 0 HB3 ALA B 33 2.406 -1.965 -6.701 1.00 0.00 H new ATOM 426 N ILE B 34 4.237 0.067 -4.470 1.00 0.00 N ATOM 427 CA ILE B 34 4.020 1.032 -3.415 1.00 0.00 C ATOM 428 C ILE B 34 5.309 1.455 -2.734 1.00 0.00 C ATOM 429 O ILE B 34 5.582 2.647 -2.702 1.00 0.00 O ATOM 430 CB ILE B 34 2.875 0.574 -2.524 1.00 0.00 C ATOM 431 CG1 ILE B 34 1.711 1.547 -2.545 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.223 0.067 -1.137 1.00 0.00 C ATOM 433 CD1 ILE B 34 1.898 2.835 -1.786 1.00 0.00 C ATOM 0 H ILE B 34 4.697 -0.780 -4.135 1.00 0.00 H new ATOM 0 HA ILE B 34 3.681 1.980 -3.834 1.00 0.00 H new ATOM 0 HB ILE B 34 2.549 -0.350 -3.002 1.00 0.00 H new ATOM 0 HG12 ILE B 34 1.490 1.792 -3.584 1.00 0.00 H new ATOM 0 HG13 ILE B 34 0.834 1.039 -2.144 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.311 -0.224 -0.616 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.884 -0.796 -1.220 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.725 0.856 -0.576 1.00 0.00 H new ATOM 0 HD11 ILE B 34 0.999 3.445 -1.877 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.082 2.614 -0.735 1.00 0.00 H new ATOM 0 HD13 ILE B 34 2.748 3.379 -2.197 1.00 0.00 H new ATOM 445 N ALA B 35 6.173 0.569 -2.243 1.00 0.00 N ATOM 446 CA ALA B 35 7.315 0.991 -1.462 1.00 0.00 C ATOM 447 C ALA B 35 8.377 1.666 -2.309 1.00 0.00 C ATOM 448 O ALA B 35 9.005 2.627 -1.888 1.00 0.00 O ATOM 449 CB ALA B 35 7.849 -0.221 -0.724 1.00 0.00 C ATOM 0 H ALA B 35 6.098 -0.440 -2.376 1.00 0.00 H new ATOM 0 HA ALA B 35 7.006 1.750 -0.743 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.713 0.069 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.073 -0.621 -0.071 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.146 -0.984 -1.444 1.00 0.00 H new ATOM 455 N ALA B 36 8.534 1.254 -3.566 1.00 0.00 N ATOM 456 CA ALA B 36 9.490 1.848 -4.475 1.00 0.00 C ATOM 457 C ALA B 36 8.957 3.153 -5.038 1.00 0.00 C ATOM 458 O ALA B 36 9.689 4.068 -5.376 1.00 0.00 O ATOM 459 CB ALA B 36 9.766 0.864 -5.597 1.00 0.00 C ATOM 0 H ALA B 36 7.994 0.493 -3.977 1.00 0.00 H new ATOM 0 HA ALA B 36 10.413 2.070 -3.939 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.486 1.297 -6.292 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.173 -0.058 -5.181 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.838 0.645 -6.125 1.00 0.00 H new ATOM 465 N ILE B 37 7.641 3.301 -5.110 1.00 0.00 N ATOM 466 CA ILE B 37 6.950 4.499 -5.527 1.00 0.00 C ATOM 467 C ILE B 37 6.981 5.511 -4.396 1.00 0.00 C ATOM 468 O ILE B 37 7.338 6.651 -4.655 1.00 0.00 O ATOM 469 CB ILE B 37 5.557 4.130 -6.009 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.571 3.610 -7.438 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.557 5.276 -5.945 1.00 0.00 C ATOM 472 CD1 ILE B 37 6.314 2.301 -7.625 1.00 0.00 C ATOM 0 H ILE B 37 7.000 2.546 -4.865 1.00 0.00 H new ATOM 0 HA ILE B 37 7.443 4.978 -6.373 1.00 0.00 H new ATOM 0 HB ILE B 37 5.236 3.351 -5.317 1.00 0.00 H new ATOM 0 HG12 ILE B 37 4.542 3.480 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.023 4.365 -8.081 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.587 4.933 -6.306 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.461 5.618 -4.914 1.00 0.00 H new ATOM 0 HG23 ILE B 37 4.906 6.099 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.273 2.006 -8.673 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.354 2.427 -7.324 1.00 0.00 H new ATOM 0 HD13 ILE B 37 5.850 1.528 -7.012 1.00 0.00 H new ATOM 484 N ILE B 38 6.820 5.093 -3.145 1.00 0.00 N ATOM 485 CA ILE B 38 7.072 5.891 -1.967 1.00 0.00 C ATOM 486 C ILE B 38 8.481 6.456 -1.903 1.00 0.00 C ATOM 487 O ILE B 38 8.618 7.634 -1.617 1.00 0.00 O ATOM 488 CB ILE B 38 6.709 5.127 -0.699 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.192 5.006 -0.671 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.111 5.817 0.595 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.577 4.152 0.427 1.00 0.00 C ATOM 0 H ILE B 38 6.498 4.151 -2.923 1.00 0.00 H new ATOM 0 HA ILE B 38 6.417 6.759 -2.042 1.00 0.00 H new ATOM 0 HB ILE B 38 7.244 4.178 -0.740 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.776 6.010 -0.589 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.869 4.604 -1.631 1.00 0.00 H new ATOM 0 HG21 ILE B 38 6.813 5.201 1.444 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.192 5.959 0.611 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.617 6.786 0.659 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.492 4.155 0.326 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.946 3.130 0.343 1.00 0.00 H new ATOM 0 HD13 ILE B 38 4.852 4.558 1.401 1.00 0.00 H new ATOM 503 N LYS B 39 9.499 5.646 -2.181 1.00 0.00 N ATOM 504 CA LYS B 39 10.881 6.051 -2.222 1.00 0.00 C ATOM 505 C LYS B 39 11.140 7.134 -3.248 1.00 0.00 C ATOM 506 O LYS B 39 12.024 7.946 -3.045 1.00 0.00 O ATOM 507 CB LYS B 39 11.658 4.769 -2.434 1.00 0.00 C ATOM 508 CG LYS B 39 13.138 4.934 -2.664 1.00 0.00 C ATOM 509 CD LYS B 39 13.912 5.361 -1.450 1.00 0.00 C ATOM 510 CE LYS B 39 14.436 6.658 -1.496 1.00 0.00 C ATOM 511 NZ LYS B 39 15.190 7.146 -0.388 1.00 0.00 N ATOM 0 H LYS B 39 9.368 4.656 -2.390 1.00 0.00 H new ATOM 0 HA LYS B 39 11.203 6.534 -1.299 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.513 4.129 -1.563 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.232 4.244 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.545 3.989 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS B 39 13.291 5.669 -3.454 1.00 0.00 H new ATOM 0 HD2 LYS B 39 13.262 5.281 -0.579 1.00 0.00 H new ATOM 0 HD3 LYS B 39 14.734 4.661 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS B 39 15.072 6.723 -2.379 1.00 0.00 H new ATOM 0 HE3 LYS B 39 13.602 7.343 -1.652 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 15.504 8.118 -0.583 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 14.597 7.138 0.466 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 16.020 6.538 -0.238 1.00 0.00 H new ATOM 525 N ALA B 40 10.336 7.226 -4.303 1.00 0.00 N ATOM 526 CA ALA B 40 10.296 8.337 -5.212 1.00 0.00 C ATOM 527 C ALA B 40 9.467 9.501 -4.721 1.00 0.00 C ATOM 528 O ALA B 40 9.925 10.608 -4.758 1.00 0.00 O ATOM 529 CB ALA B 40 9.838 7.840 -6.568 1.00 0.00 C ATOM 0 H ALA B 40 9.672 6.491 -4.547 1.00 0.00 H new ATOM 0 HA ALA B 40 11.305 8.743 -5.289 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.803 8.674 -7.269 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.536 7.087 -6.934 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.845 7.400 -6.478 1.00 0.00 H new ATOM 535 N GLY B 41 8.269 9.257 -4.225 1.00 0.00 N ATOM 536 CA GLY B 41 7.281 10.243 -3.864 1.00 0.00 C ATOM 537 C GLY B 41 7.673 11.048 -2.647 1.00 0.00 C ATOM 538 O GLY B 41 7.695 12.259 -2.695 1.00 0.00 O ATOM 0 H GLY B 41 7.945 8.305 -4.055 1.00 0.00 H new ATOM 0 HA2 GLY B 41 7.124 10.918 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.330 9.745 -3.674 1.00 0.00 H new ATOM 542 N GLY B 42 7.982 10.417 -1.531 1.00 0.00 N ATOM 543 CA GLY B 42 8.151 11.054 -0.250 1.00 0.00 C ATOM 544 C GLY B 42 6.827 11.388 0.405 1.00 0.00 C ATOM 545 O GLY B 42 6.587 12.524 0.765 1.00 0.00 O ATOM 0 H GLY B 42 8.127 9.408 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY B 42 8.723 10.399 0.406 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.733 11.967 -0.375 1.00 0.00 H new ATOM 549 N PHE B 43 5.940 10.407 0.483 1.00 0.00 N ATOM 550 CA PHE B 43 4.551 10.499 0.834 1.00 0.00 C ATOM 551 C PHE B 43 4.321 11.117 2.194 1.00 0.00 C ATOM 552 O PHE B 43 3.579 12.068 2.308 1.00 0.00 O ATOM 553 CB PHE B 43 3.888 9.137 0.745 1.00 0.00 C ATOM 554 CG PHE B 43 3.524 8.690 -0.645 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.522 8.367 -1.561 1.00 0.00 C ATOM 556 CD2 PHE B 43 2.182 8.507 -0.965 1.00 0.00 C ATOM 557 CE1 PHE B 43 4.187 7.748 -2.765 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.858 7.926 -2.190 1.00 0.00 C ATOM 559 CZ PHE B 43 2.850 7.561 -3.095 1.00 0.00 C ATOM 0 H PHE B 43 6.210 9.444 0.282 1.00 0.00 H new ATOM 0 HA PHE B 43 4.091 11.171 0.109 1.00 0.00 H new ATOM 0 HB2 PHE B 43 4.556 8.396 1.184 1.00 0.00 H new ATOM 0 HB3 PHE B 43 2.984 9.151 1.353 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.554 8.596 -1.339 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.406 8.809 -0.277 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.963 7.415 -3.438 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.821 7.757 -2.441 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.582 7.134 -4.050 1.00 0.00 H new HETATM 569 N NH2 B 44 4.891 10.568 3.251 1.00 0.00 N TER 572 NH2 B 44 HETATM 573 C ACE C 45 -7.347 11.026 -1.010 1.00 0.00 C HETATM 574 O ACE C 45 -7.214 10.487 0.060 1.00 0.00 O HETATM 575 CH3 ACE C 45 -8.700 11.265 -1.562 1.00 0.00 C HETATM 0 H1 ACE C 45 -8.848 12.334 -1.711 1.00 0.00 H new HETATM 0 H2 ACE C 45 -8.800 10.748 -2.516 1.00 0.00 H new HETATM 0 H3 ACE C 45 -9.449 10.889 -0.865 1.00 0.00 H new ATOM 579 N ALA C 46 -6.328 11.552 -1.642 1.00 0.00 N ATOM 580 CA ALA C 46 -5.005 11.585 -1.098 1.00 0.00 C ATOM 581 C ALA C 46 -4.825 12.403 0.162 1.00 0.00 C ATOM 582 O ALA C 46 -3.810 12.268 0.809 1.00 0.00 O ATOM 583 CB ALA C 46 -4.070 12.011 -2.174 1.00 0.00 C ATOM 0 H ALA C 46 -6.402 11.976 -2.567 1.00 0.00 H new ATOM 0 HA ALA C 46 -4.782 10.574 -0.758 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.054 12.043 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.118 11.301 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.353 13.001 -2.531 1.00 0.00 H new ATOM 589 N LYS C 47 -5.832 13.141 0.609 1.00 0.00 N ATOM 590 CA LYS C 47 -5.940 13.671 1.943 1.00 0.00 C ATOM 591 C LYS C 47 -5.867 12.627 3.032 1.00 0.00 C ATOM 592 O LYS C 47 -5.408 12.914 4.112 1.00 0.00 O ATOM 593 CB LYS C 47 -7.204 14.489 2.081 1.00 0.00 C ATOM 594 CG LYS C 47 -7.199 15.696 1.214 1.00 0.00 C ATOM 595 CD LYS C 47 -8.384 16.558 1.527 1.00 0.00 C ATOM 596 CE LYS C 47 -8.366 17.818 0.720 1.00 0.00 C ATOM 597 NZ LYS C 47 -9.155 18.698 1.047 1.00 0.00 N ATOM 0 H LYS C 47 -6.625 13.392 0.019 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.066 14.307 2.083 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.064 13.868 1.829 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -7.324 14.793 3.121 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -6.279 16.260 1.367 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -7.221 15.400 0.165 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -9.302 16.006 1.324 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -8.388 16.803 2.589 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -7.359 18.233 0.761 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -8.561 17.557 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -9.045 19.516 0.414 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -10.127 18.335 0.978 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -8.963 18.990 2.026 1.00 0.00 H new ATOM 611 N ALA C 48 -6.272 11.400 2.726 1.00 0.00 N ATOM 612 CA ALA C 48 -6.154 10.228 3.559 1.00 0.00 C ATOM 613 C ALA C 48 -4.784 9.574 3.541 1.00 0.00 C ATOM 614 O ALA C 48 -4.562 8.602 4.235 1.00 0.00 O ATOM 615 CB ALA C 48 -7.211 9.241 3.091 1.00 0.00 C ATOM 0 H ALA C 48 -6.718 11.193 1.832 1.00 0.00 H new ATOM 0 HA ALA C 48 -6.298 10.537 4.594 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.157 8.336 3.696 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.199 9.689 3.195 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.036 8.989 2.045 1.00 0.00 H new ATOM 621 N ALA C 49 -3.857 10.046 2.713 1.00 0.00 N ATOM 622 CA ALA C 49 -2.620 9.341 2.470 1.00 0.00 C ATOM 623 C ALA C 49 -1.721 9.286 3.692 1.00 0.00 C ATOM 624 O ALA C 49 -1.165 8.234 3.978 1.00 0.00 O ATOM 625 CB ALA C 49 -1.912 9.841 1.221 1.00 0.00 C ATOM 0 H ALA C 49 -3.948 10.922 2.199 1.00 0.00 H new ATOM 0 HA ALA C 49 -2.888 8.304 2.269 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -0.987 9.282 1.079 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -2.559 9.699 0.355 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -1.682 10.901 1.333 1.00 0.00 H new ATOM 631 N ALA C 50 -1.627 10.347 4.492 1.00 0.00 N ATOM 632 CA ALA C 50 -0.800 10.320 5.668 1.00 0.00 C ATOM 633 C ALA C 50 -1.206 9.289 6.695 1.00 0.00 C ATOM 634 O ALA C 50 -0.411 8.886 7.442 1.00 0.00 O ATOM 635 CB ALA C 50 -0.749 11.699 6.282 1.00 0.00 C ATOM 0 H ALA C 50 -2.117 11.228 4.337 1.00 0.00 H new ATOM 0 HA ALA C 50 0.193 10.014 5.339 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -0.122 11.677 7.173 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -0.332 12.403 5.562 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -1.756 12.013 6.555 1.00 0.00 H new ATOM 641 N ALA C 51 -2.410 8.804 6.671 1.00 0.00 N ATOM 642 CA ALA C 51 -2.904 7.655 7.384 1.00 0.00 C ATOM 643 C ALA C 51 -2.530 6.331 6.769 1.00 0.00 C ATOM 644 O ALA C 51 -2.094 5.447 7.470 1.00 0.00 O ATOM 645 CB ALA C 51 -4.400 7.807 7.543 1.00 0.00 C ATOM 0 H ALA C 51 -3.139 9.237 6.104 1.00 0.00 H new ATOM 0 HA ALA C 51 -2.418 7.630 8.359 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -4.798 6.947 8.081 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -4.616 8.717 8.103 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.866 7.867 6.560 1.00 0.00 H new ATOM 651 N ALA C 52 -2.665 6.139 5.466 1.00 0.00 N ATOM 652 CA ALA C 52 -2.533 4.857 4.826 1.00 0.00 C ATOM 653 C ALA C 52 -1.079 4.479 4.663 1.00 0.00 C ATOM 654 O ALA C 52 -0.647 3.363 4.872 1.00 0.00 O ATOM 655 CB ALA C 52 -3.169 4.974 3.457 1.00 0.00 C ATOM 0 H ALA C 52 -2.875 6.896 4.815 1.00 0.00 H new ATOM 0 HA ALA C 52 -3.014 4.090 5.432 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -3.090 4.020 2.936 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.220 5.242 3.566 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -2.656 5.745 2.882 1.00 0.00 H new ATOM 661 N ILE C 53 -0.305 5.458 4.210 1.00 0.00 N ATOM 662 CA ILE C 53 1.096 5.296 3.903 1.00 0.00 C ATOM 663 C ILE C 53 1.894 5.098 5.178 1.00 0.00 C ATOM 664 O ILE C 53 2.773 4.249 5.244 1.00 0.00 O ATOM 665 CB ILE C 53 1.589 6.536 3.183 1.00 0.00 C ATOM 666 CG1 ILE C 53 0.745 6.935 1.984 1.00 0.00 C ATOM 667 CG2 ILE C 53 3.047 6.429 2.786 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.722 5.977 0.806 1.00 0.00 C ATOM 0 H ILE C 53 -0.649 6.404 4.045 1.00 0.00 H new ATOM 0 HA ILE C 53 1.227 4.419 3.269 1.00 0.00 H new ATOM 0 HB ILE C 53 1.485 7.334 3.918 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -0.281 7.078 2.324 1.00 0.00 H new ATOM 0 HG13 ILE C 53 1.100 7.902 1.627 1.00 0.00 H new ATOM 0 HG21 ILE C 53 3.353 7.341 2.274 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.658 6.292 3.678 1.00 0.00 H new ATOM 0 HG23 ILE C 53 3.181 5.577 2.120 1.00 0.00 H new ATOM 0 HD11 ILE C 53 0.084 6.381 0.021 1.00 0.00 H new ATOM 0 HD12 ILE C 53 1.734 5.849 0.421 1.00 0.00 H new ATOM 0 HD13 ILE C 53 0.332 5.012 1.129 1.00 0.00 H new ATOM 680 N LYS C 54 1.603 5.892 6.204 1.00 0.00 N ATOM 681 CA LYS C 54 2.320 5.824 7.455 1.00 0.00 C ATOM 682 C LYS C 54 1.991 4.573 8.244 1.00 0.00 C ATOM 683 O LYS C 54 2.800 4.148 9.042 1.00 0.00 O ATOM 684 CB LYS C 54 2.078 7.098 8.243 1.00 0.00 C ATOM 685 CG LYS C 54 2.756 8.314 7.646 1.00 0.00 C ATOM 686 CD LYS C 54 3.091 9.371 8.657 1.00 0.00 C ATOM 687 CE LYS C 54 1.889 9.974 9.320 1.00 0.00 C ATOM 688 NZ LYS C 54 2.280 10.979 10.255 1.00 0.00 N ATOM 0 H LYS C 54 0.865 6.595 6.183 1.00 0.00 H new ATOM 0 HA LYS C 54 3.387 5.749 7.243 1.00 0.00 H new ATOM 0 HB2 LYS C 54 1.005 7.282 8.301 1.00 0.00 H new ATOM 0 HB3 LYS C 54 2.433 6.958 9.264 1.00 0.00 H new ATOM 0 HG2 LYS C 54 3.671 8.000 7.144 1.00 0.00 H new ATOM 0 HG3 LYS C 54 2.106 8.745 6.884 1.00 0.00 H new ATOM 0 HD2 LYS C 54 3.738 8.939 9.421 1.00 0.00 H new ATOM 0 HD3 LYS C 54 3.660 10.162 8.168 1.00 0.00 H new ATOM 0 HE2 LYS C 54 1.231 10.407 8.567 1.00 0.00 H new ATOM 0 HE3 LYS C 54 1.321 9.197 9.831 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 1.434 11.384 10.703 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 2.889 10.557 10.984 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 2.802 11.730 9.760 1.00 0.00 H new ATOM 702 N ALA C 55 0.876 3.917 7.945 1.00 0.00 N ATOM 703 CA ALA C 55 0.735 2.516 8.257 1.00 0.00 C ATOM 704 C ALA C 55 1.683 1.675 7.422 1.00 0.00 C ATOM 705 O ALA C 55 2.629 1.091 7.932 1.00 0.00 O ATOM 706 CB ALA C 55 -0.729 2.116 8.134 1.00 0.00 C ATOM 0 H ALA C 55 0.066 4.337 7.490 1.00 0.00 H new ATOM 0 HA ALA C 55 1.027 2.328 9.290 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -0.838 1.057 8.369 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -1.327 2.706 8.829 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -1.072 2.298 7.115 1.00 0.00 H new ATOM 712 N ILE C 56 1.444 1.605 6.117 1.00 0.00 N ATOM 713 CA ILE C 56 1.981 0.566 5.268 1.00 0.00 C ATOM 714 C ILE C 56 3.496 0.626 5.163 1.00 0.00 C ATOM 715 O ILE C 56 4.119 -0.418 5.298 1.00 0.00 O ATOM 716 CB ILE C 56 1.236 0.544 3.942 1.00 0.00 C ATOM 717 CG1 ILE C 56 0.977 -0.841 3.374 1.00 0.00 C ATOM 718 CG2 ILE C 56 1.844 1.485 2.924 1.00 0.00 C ATOM 719 CD1 ILE C 56 2.111 -1.590 2.782 1.00 0.00 C ATOM 0 H ILE C 56 0.864 2.280 5.620 1.00 0.00 H new ATOM 0 HA ILE C 56 1.804 -0.406 5.729 1.00 0.00 H new ATOM 0 HB ILE C 56 0.243 0.924 4.183 1.00 0.00 H new ATOM 0 HG12 ILE C 56 0.557 -1.453 4.173 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.208 -0.746 2.608 1.00 0.00 H new ATOM 0 HG21 ILE C 56 1.276 1.432 1.995 1.00 0.00 H new ATOM 0 HG22 ILE C 56 1.816 2.504 3.309 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.878 1.197 2.734 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.760 -2.558 2.423 1.00 0.00 H new ATOM 0 HD12 ILE C 56 2.526 -1.023 1.949 1.00 0.00 H new ATOM 0 HD13 ILE C 56 2.882 -1.741 3.538 1.00 0.00 H new ATOM 731 N ALA C 57 4.096 1.807 5.034 1.00 0.00 N ATOM 732 CA ALA C 57 5.534 1.923 4.976 1.00 0.00 C ATOM 733 C ALA C 57 6.258 1.583 6.258 1.00 0.00 C ATOM 734 O ALA C 57 7.390 1.136 6.219 1.00 0.00 O ATOM 735 CB ALA C 57 5.923 3.302 4.481 1.00 0.00 C ATOM 0 H ALA C 57 3.598 2.695 4.968 1.00 0.00 H new ATOM 0 HA ALA C 57 5.862 1.162 4.268 1.00 0.00 H new ATOM 0 HB1 ALA C 57 7.009 3.381 4.440 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.510 3.461 3.485 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.530 4.057 5.161 1.00 0.00 H new ATOM 741 N ALA C 58 5.611 1.742 7.408 1.00 0.00 N ATOM 742 CA ALA C 58 6.152 1.357 8.690 1.00 0.00 C ATOM 743 C ALA C 58 5.924 -0.115 8.988 1.00 0.00 C ATOM 744 O ALA C 58 6.784 -0.779 9.544 1.00 0.00 O ATOM 745 CB ALA C 58 5.549 2.237 9.767 1.00 0.00 C ATOM 0 H ALA C 58 4.678 2.151 7.467 1.00 0.00 H new ATOM 0 HA ALA C 58 7.232 1.500 8.668 1.00 0.00 H new ATOM 0 HB1 ALA C 58 5.953 1.952 10.738 1.00 0.00 H new ATOM 0 HB2 ALA C 58 5.794 3.280 9.564 1.00 0.00 H new ATOM 0 HB3 ALA C 58 4.466 2.113 9.774 1.00 0.00 H new ATOM 751 N ILE C 59 4.795 -0.651 8.541 1.00 0.00 N ATOM 752 CA ILE C 59 4.459 -2.057 8.558 1.00 0.00 C ATOM 753 C ILE C 59 5.411 -2.815 7.649 1.00 0.00 C ATOM 754 O ILE C 59 5.909 -3.853 8.064 1.00 0.00 O ATOM 755 CB ILE C 59 2.993 -2.263 8.201 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.046 -1.662 9.225 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.673 -3.741 8.059 1.00 0.00 C ATOM 758 CD1 ILE C 59 0.621 -1.465 8.758 1.00 0.00 C ATOM 0 H ILE C 59 4.053 -0.080 8.136 1.00 0.00 H new ATOM 0 HA ILE C 59 4.582 -2.460 9.563 1.00 0.00 H new ATOM 0 HB ILE C 59 2.843 -1.748 7.252 1.00 0.00 H new ATOM 0 HG12 ILE C 59 2.036 -2.304 10.105 1.00 0.00 H new ATOM 0 HG13 ILE C 59 2.444 -0.697 9.539 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.620 -3.862 7.804 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.290 -4.173 7.271 1.00 0.00 H new ATOM 0 HG23 ILE C 59 2.879 -4.250 9.001 1.00 0.00 H new ATOM 0 HD11 ILE C 59 0.030 -1.031 9.565 1.00 0.00 H new ATOM 0 HD12 ILE C 59 0.609 -0.795 7.899 1.00 0.00 H new ATOM 0 HD13 ILE C 59 0.195 -2.427 8.474 1.00 0.00 H new ATOM 770 N ILE C 60 5.769 -2.318 6.469 1.00 0.00 N ATOM 771 CA ILE C 60 6.832 -2.815 5.627 1.00 0.00 C ATOM 772 C ILE C 60 8.184 -2.934 6.307 1.00 0.00 C ATOM 773 O ILE C 60 8.820 -3.967 6.172 1.00 0.00 O ATOM 774 CB ILE C 60 6.916 -2.030 4.325 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.754 -2.528 3.480 1.00 0.00 C ATOM 776 CG2 ILE C 60 8.194 -2.207 3.526 1.00 0.00 C ATOM 777 CD1 ILE C 60 5.597 -1.922 2.094 1.00 0.00 C ATOM 0 H ILE C 60 5.294 -1.514 6.060 1.00 0.00 H new ATOM 0 HA ILE C 60 6.556 -3.844 5.395 1.00 0.00 H new ATOM 0 HB ILE C 60 6.891 -0.970 4.576 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.855 -3.607 3.368 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.832 -2.350 4.034 1.00 0.00 H new ATOM 0 HG21 ILE C 60 8.144 -1.603 2.620 1.00 0.00 H new ATOM 0 HG22 ILE C 60 9.046 -1.889 4.127 1.00 0.00 H new ATOM 0 HG23 ILE C 60 8.312 -3.256 3.256 1.00 0.00 H new ATOM 0 HD11 ILE C 60 4.732 -2.364 1.600 1.00 0.00 H new ATOM 0 HD12 ILE C 60 5.454 -0.845 2.182 1.00 0.00 H new ATOM 0 HD13 ILE C 60 6.493 -2.122 1.506 1.00 0.00 H new ATOM 789 N LYS C 61 8.596 -1.906 7.045 1.00 0.00 N ATOM 790 CA LYS C 61 9.831 -1.919 7.789 1.00 0.00 C ATOM 791 C LYS C 61 9.831 -2.969 8.881 1.00 0.00 C ATOM 792 O LYS C 61 10.875 -3.508 9.199 1.00 0.00 O ATOM 793 CB LYS C 61 10.065 -0.491 8.239 1.00 0.00 C ATOM 794 CG LYS C 61 11.191 -0.264 9.227 1.00 0.00 C ATOM 795 CD LYS C 61 12.562 -0.568 8.712 1.00 0.00 C ATOM 796 CE LYS C 61 13.054 0.406 7.723 1.00 0.00 C ATOM 797 NZ LYS C 61 13.905 1.000 7.837 1.00 0.00 N ATOM 0 H LYS C 61 8.070 -1.037 7.137 1.00 0.00 H new ATOM 0 HA LYS C 61 10.681 -2.231 7.182 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.260 0.116 7.355 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.142 -0.119 8.684 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.164 0.776 9.551 1.00 0.00 H new ATOM 0 HG3 LYS C 61 11.008 -0.877 10.109 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.256 -0.602 9.552 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.559 -1.560 8.261 1.00 0.00 H new ATOM 0 HE2 LYS C 61 13.202 -0.154 6.800 1.00 0.00 H new ATOM 0 HE3 LYS C 61 12.229 1.096 7.548 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 14.026 1.598 6.995 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 13.797 1.603 8.677 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.740 0.391 7.953 1.00 0.00 H new ATOM 811 N ALA C 62 8.683 -3.305 9.459 1.00 0.00 N ATOM 812 CA ALA C 62 8.524 -4.388 10.398 1.00 0.00 C ATOM 813 C ALA C 62 8.461 -5.747 9.739 1.00 0.00 C ATOM 814 O ALA C 62 9.085 -6.658 10.203 1.00 0.00 O ATOM 815 CB ALA C 62 7.322 -4.089 11.235 1.00 0.00 C ATOM 0 H ALA C 62 7.812 -2.807 9.274 1.00 0.00 H new ATOM 0 HA ALA C 62 9.408 -4.450 11.032 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.173 -4.891 11.958 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.472 -3.148 11.764 1.00 0.00 H new ATOM 0 HB3 ALA C 62 6.443 -4.010 10.595 1.00 0.00 H new ATOM 821 N GLY C 63 7.754 -5.898 8.637 1.00 0.00 N ATOM 822 CA GLY C 63 7.700 -7.107 7.852 1.00 0.00 C ATOM 823 C GLY C 63 9.005 -7.532 7.222 1.00 0.00 C ATOM 824 O GLY C 63 9.418 -8.637 7.349 1.00 0.00 O ATOM 0 H GLY C 63 7.179 -5.149 8.251 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.343 -7.917 8.488 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.962 -6.974 7.061 1.00 0.00 H new ATOM 828 N GLY C 64 9.650 -6.649 6.514 1.00 0.00 N ATOM 829 CA GLY C 64 10.820 -6.892 5.719 1.00 0.00 C ATOM 830 C GLY C 64 10.545 -7.269 4.290 1.00 0.00 C ATOM 831 O GLY C 64 11.284 -8.028 3.713 1.00 0.00 O ATOM 0 H GLY C 64 9.352 -5.674 6.474 1.00 0.00 H new ATOM 0 HA2 GLY C 64 11.442 -5.997 5.730 1.00 0.00 H new ATOM 0 HA3 GLY C 64 11.400 -7.689 6.185 1.00 0.00 H new ATOM 835 N PHE C 65 9.472 -6.789 3.693 1.00 0.00 N ATOM 836 CA PHE C 65 8.970 -7.180 2.405 1.00 0.00 C ATOM 837 C PHE C 65 9.944 -6.965 1.299 1.00 0.00 C ATOM 838 O PHE C 65 10.245 -7.863 0.573 1.00 0.00 O ATOM 839 CB PHE C 65 7.681 -6.448 2.109 1.00 0.00 C ATOM 840 CG PHE C 65 6.486 -6.678 2.995 1.00 0.00 C ATOM 841 CD1 PHE C 65 6.404 -5.965 4.193 1.00 0.00 C ATOM 842 CD2 PHE C 65 5.379 -7.388 2.528 1.00 0.00 C ATOM 843 CE1 PHE C 65 5.173 -5.827 4.840 1.00 0.00 C ATOM 844 CE2 PHE C 65 4.150 -7.262 3.180 1.00 0.00 C ATOM 845 CZ PHE C 65 4.046 -6.454 4.309 1.00 0.00 C ATOM 0 H PHE C 65 8.896 -6.069 4.129 1.00 0.00 H new ATOM 0 HA PHE C 65 8.790 -8.254 2.455 1.00 0.00 H new ATOM 0 HB2 PHE C 65 7.899 -5.380 2.123 1.00 0.00 H new ATOM 0 HB3 PHE C 65 7.387 -6.700 1.090 1.00 0.00 H new ATOM 0 HD1 PHE C 65 7.291 -5.521 4.619 1.00 0.00 H new ATOM 0 HD2 PHE C 65 5.472 -8.032 1.666 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.095 -5.240 5.743 1.00 0.00 H new ATOM 0 HE2 PHE C 65 3.283 -7.790 2.810 1.00 0.00 H new ATOM 0 HZ PHE C 65 3.084 -6.311 4.778 1.00 0.00 H new HETATM 855 N NH2 C 66 10.434 -5.775 1.101 1.00 0.00 N TER 858 NH2 C 66 HETATM 859 C ACE D 67 7.045 -10.622 4.496 1.00 0.00 C HETATM 860 O ACE D 67 6.310 -9.997 5.232 1.00 0.00 O HETATM 861 CH3 ACE D 67 8.509 -10.772 4.822 1.00 0.00 C HETATM 0 H1 ACE D 67 8.752 -11.829 4.928 1.00 0.00 H new HETATM 0 H2 ACE D 67 9.107 -10.341 4.019 1.00 0.00 H new HETATM 0 H3 ACE D 67 8.729 -10.254 5.756 1.00 0.00 H new ATOM 865 N ALA D 68 6.596 -11.319 3.462 1.00 0.00 N ATOM 866 CA ALA D 68 5.209 -11.540 3.136 1.00 0.00 C ATOM 867 C ALA D 68 4.396 -12.251 4.194 1.00 0.00 C ATOM 868 O ALA D 68 3.190 -12.309 4.078 1.00 0.00 O ATOM 869 CB ALA D 68 5.094 -12.158 1.755 1.00 0.00 C ATOM 0 H ALA D 68 7.229 -11.766 2.798 1.00 0.00 H new ATOM 0 HA ALA D 68 4.737 -10.558 3.115 1.00 0.00 H new ATOM 0 HB1 ALA D 68 4.043 -12.322 1.516 1.00 0.00 H new ATOM 0 HB2 ALA D 68 5.533 -11.486 1.018 1.00 0.00 H new ATOM 0 HB3 ALA D 68 5.623 -13.111 1.738 1.00 0.00 H new ATOM 875 N LYS D 69 4.996 -12.651 5.305 1.00 0.00 N ATOM 876 CA LYS D 69 4.333 -12.956 6.553 1.00 0.00 C ATOM 877 C LYS D 69 3.426 -11.848 7.040 1.00 0.00 C ATOM 878 O LYS D 69 2.379 -12.105 7.582 1.00 0.00 O ATOM 879 CB LYS D 69 5.360 -13.270 7.607 1.00 0.00 C ATOM 880 CG LYS D 69 6.213 -14.473 7.319 1.00 0.00 C ATOM 881 CD LYS D 69 7.165 -14.762 8.412 1.00 0.00 C ATOM 882 CE LYS D 69 7.956 -15.971 8.072 1.00 0.00 C ATOM 883 NZ LYS D 69 8.905 -16.295 9.040 1.00 0.00 N ATOM 0 H LYS D 69 6.007 -12.776 5.358 1.00 0.00 H new ATOM 0 HA LYS D 69 3.696 -13.821 6.366 1.00 0.00 H new ATOM 0 HB2 LYS D 69 6.009 -12.403 7.731 1.00 0.00 H new ATOM 0 HB3 LYS D 69 4.849 -13.424 8.557 1.00 0.00 H new ATOM 0 HG2 LYS D 69 5.572 -15.340 7.160 1.00 0.00 H new ATOM 0 HG3 LYS D 69 6.765 -14.311 6.393 1.00 0.00 H new ATOM 0 HD2 LYS D 69 7.829 -13.911 8.565 1.00 0.00 H new ATOM 0 HD3 LYS D 69 6.626 -14.918 9.347 1.00 0.00 H new ATOM 0 HE2 LYS D 69 7.279 -16.815 7.939 1.00 0.00 H new ATOM 0 HE3 LYS D 69 8.459 -15.812 7.118 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 9.424 -17.147 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 9.571 -15.504 9.151 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 8.428 -16.476 9.946 1.00 0.00 H new ATOM 897 N ALA D 70 3.793 -10.614 6.768 1.00 0.00 N ATOM 898 CA ALA D 70 3.095 -9.384 7.045 1.00 0.00 C ATOM 899 C ALA D 70 2.029 -9.030 6.026 1.00 0.00 C ATOM 900 O ALA D 70 1.359 -8.017 6.165 1.00 0.00 O ATOM 901 CB ALA D 70 4.158 -8.310 7.155 1.00 0.00 C ATOM 0 H ALA D 70 4.680 -10.433 6.299 1.00 0.00 H new ATOM 0 HA ALA D 70 2.530 -9.488 7.971 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.685 -7.351 7.365 1.00 0.00 H new ATOM 0 HB2 ALA D 70 4.846 -8.560 7.962 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.708 -8.245 6.216 1.00 0.00 H new ATOM 907 N ALA D 71 1.852 -9.791 4.953 1.00 0.00 N ATOM 908 CA ALA D 71 1.019 -9.459 3.822 1.00 0.00 C ATOM 909 C ALA D 71 -0.462 -9.763 3.966 1.00 0.00 C ATOM 910 O ALA D 71 -1.223 -9.672 3.019 1.00 0.00 O ATOM 911 CB ALA D 71 1.579 -10.080 2.558 1.00 0.00 C ATOM 0 H ALA D 71 2.310 -10.697 4.851 1.00 0.00 H new ATOM 0 HA ALA D 71 1.056 -8.371 3.765 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.941 -9.822 1.712 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.586 -9.702 2.382 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.613 -11.164 2.669 1.00 0.00 H new ATOM 917 N ALA D 72 -0.941 -10.006 5.174 1.00 0.00 N ATOM 918 CA ALA D 72 -2.285 -9.679 5.580 1.00 0.00 C ATOM 919 C ALA D 72 -2.301 -8.356 6.310 1.00 0.00 C ATOM 920 O ALA D 72 -2.988 -7.435 5.893 1.00 0.00 O ATOM 921 CB ALA D 72 -2.907 -10.812 6.348 1.00 0.00 C ATOM 0 H ALA D 72 -0.390 -10.446 5.911 1.00 0.00 H new ATOM 0 HA ALA D 72 -2.913 -9.549 4.699 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -3.920 -10.539 6.642 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.939 -11.703 5.721 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.313 -11.017 7.239 1.00 0.00 H new ATOM 927 N ALA D 73 -1.493 -8.189 7.355 1.00 0.00 N ATOM 928 CA ALA D 73 -1.451 -7.020 8.202 1.00 0.00 C ATOM 929 C ALA D 73 -1.292 -5.698 7.471 1.00 0.00 C ATOM 930 O ALA D 73 -1.996 -4.752 7.789 1.00 0.00 O ATOM 931 CB ALA D 73 -0.336 -7.182 9.218 1.00 0.00 C ATOM 0 H ALA D 73 -0.823 -8.903 7.639 1.00 0.00 H new ATOM 0 HA ALA D 73 -2.428 -6.965 8.682 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -0.299 -6.302 9.861 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -0.523 -8.068 9.825 1.00 0.00 H new ATOM 0 HB3 ALA D 73 0.616 -7.292 8.699 1.00 0.00 H new ATOM 937 N ALA D 74 -0.423 -5.588 6.477 1.00 0.00 N ATOM 938 CA ALA D 74 -0.187 -4.357 5.757 1.00 0.00 C ATOM 939 C ALA D 74 -1.389 -3.969 4.920 1.00 0.00 C ATOM 940 O ALA D 74 -1.751 -2.817 4.760 1.00 0.00 O ATOM 941 CB ALA D 74 1.026 -4.559 4.881 1.00 0.00 C ATOM 0 H ALA D 74 0.145 -6.368 6.147 1.00 0.00 H new ATOM 0 HA ALA D 74 -0.016 -3.545 6.464 1.00 0.00 H new ATOM 0 HB1 ALA D 74 1.229 -3.644 4.324 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.887 -4.804 5.503 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.839 -5.375 4.183 1.00 0.00 H new ATOM 947 N ILE D 75 -2.023 -4.993 4.368 1.00 0.00 N ATOM 948 CA ILE D 75 -3.149 -4.859 3.474 1.00 0.00 C ATOM 949 C ILE D 75 -4.417 -4.513 4.234 1.00 0.00 C ATOM 950 O ILE D 75 -5.219 -3.696 3.812 1.00 0.00 O ATOM 951 CB ILE D 75 -3.302 -6.156 2.698 1.00 0.00 C ATOM 952 CG1 ILE D 75 -2.011 -6.782 2.217 1.00 0.00 C ATOM 953 CG2 ILE D 75 -4.284 -5.879 1.579 1.00 0.00 C ATOM 954 CD1 ILE D 75 -1.258 -5.981 1.172 1.00 0.00 C ATOM 0 H ILE D 75 -1.757 -5.963 4.538 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.971 -4.039 2.779 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.679 -6.925 3.372 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.357 -6.935 3.076 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -2.234 -7.767 1.807 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -4.429 -6.784 0.989 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.238 -5.565 2.002 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.893 -5.088 0.939 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -0.348 -6.512 0.892 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -1.887 -5.850 0.291 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.997 -5.005 1.580 1.00 0.00 H new ATOM 966 N LYS D 76 -4.627 -5.146 5.383 1.00 0.00 N ATOM 967 CA LYS D 76 -5.825 -4.969 6.169 1.00 0.00 C ATOM 968 C LYS D 76 -5.872 -3.622 6.861 1.00 0.00 C ATOM 969 O LYS D 76 -6.968 -3.140 7.106 1.00 0.00 O ATOM 970 CB LYS D 76 -5.904 -6.111 7.166 1.00 0.00 C ATOM 971 CG LYS D 76 -6.232 -7.461 6.566 1.00 0.00 C ATOM 972 CD LYS D 76 -7.693 -7.693 6.372 1.00 0.00 C ATOM 973 CE LYS D 76 -7.920 -9.035 5.743 1.00 0.00 C ATOM 974 NZ LYS D 76 -9.282 -9.359 5.527 1.00 0.00 N ATOM 0 H LYS D 76 -3.960 -5.800 5.792 1.00 0.00 H new ATOM 0 HA LYS D 76 -6.692 -4.985 5.508 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -4.950 -6.184 7.688 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -6.659 -5.869 7.914 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -5.728 -7.553 5.604 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.832 -8.243 7.212 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -8.209 -7.640 7.331 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -8.113 -6.910 5.740 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.396 -9.068 4.788 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -7.474 -9.800 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -9.350 -10.300 5.090 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -9.787 -9.362 6.436 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -9.711 -8.653 4.896 1.00 0.00 H new ATOM 988 N ALA D 77 -4.726 -2.991 7.097 1.00 0.00 N ATOM 989 CA ALA D 77 -4.680 -1.554 7.175 1.00 0.00 C ATOM 990 C ALA D 77 -5.137 -0.933 5.870 1.00 0.00 C ATOM 991 O ALA D 77 -6.234 -0.404 5.761 1.00 0.00 O ATOM 992 CB ALA D 77 -3.305 -1.094 7.619 1.00 0.00 C ATOM 0 H ALA D 77 -3.829 -3.457 7.235 1.00 0.00 H new ATOM 0 HA ALA D 77 -5.380 -1.206 7.935 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -3.285 -0.006 7.673 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -3.082 -1.510 8.601 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -2.558 -1.435 6.902 1.00 0.00 H new ATOM 998 N ILE D 78 -4.303 -0.970 4.833 1.00 0.00 N ATOM 999 CA ILE D 78 -4.305 -0.004 3.759 1.00 0.00 C ATOM 1000 C ILE D 78 -5.549 -0.105 2.897 1.00 0.00 C ATOM 1001 O ILE D 78 -6.116 0.933 2.605 1.00 0.00 O ATOM 1002 CB ILE D 78 -2.996 -0.024 2.984 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.844 1.307 2.327 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -2.983 -1.176 2.002 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -1.821 1.466 1.224 1.00 0.00 C ATOM 0 H ILE D 78 -3.593 -1.694 4.722 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.360 0.990 4.203 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.143 -0.188 3.643 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -3.815 1.585 1.918 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -2.606 2.033 3.104 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.040 -1.177 1.455 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.090 -2.116 2.543 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.810 -1.065 1.300 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -1.839 2.492 0.856 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -0.829 1.238 1.613 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -2.057 0.783 0.408 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.055 -1.301 2.595 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.255 -1.413 1.799 1.00 0.00 C ATOM 1019 C ALA D 79 -8.507 -0.934 2.510 1.00 0.00 C ATOM 1020 O ALA D 79 -9.408 -0.405 1.880 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.388 -2.843 1.333 1.00 0.00 C ATOM 0 H ALA D 79 -5.651 -2.190 2.890 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.156 -0.746 0.943 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.290 -2.947 0.730 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.518 -3.113 0.735 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.452 -3.503 2.198 1.00 0.00 H new ATOM 1027 N ALA D 80 -8.551 -1.015 3.839 1.00 0.00 N ATOM 1028 CA ALA D 80 -9.626 -0.511 4.664 1.00 0.00 C ATOM 1029 C ALA D 80 -9.565 0.996 4.830 1.00 0.00 C ATOM 1030 O ALA D 80 -10.581 1.675 4.749 1.00 0.00 O ATOM 1031 CB ALA D 80 -9.550 -1.209 6.010 1.00 0.00 C ATOM 0 H ALA D 80 -7.806 -1.452 4.382 1.00 0.00 H new ATOM 0 HA ALA D 80 -10.579 -0.722 4.178 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -10.352 -0.847 6.654 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -9.656 -2.285 5.869 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -8.587 -0.998 6.476 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.351 1.529 4.916 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.090 2.952 4.925 1.00 0.00 C ATOM 1039 C ILE D 81 -8.381 3.575 3.574 1.00 0.00 C ATOM 1040 O ILE D 81 -8.981 4.630 3.517 1.00 0.00 O ATOM 1041 CB ILE D 81 -6.665 3.211 5.385 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -6.394 2.693 6.790 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.316 4.691 5.349 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -4.935 2.494 7.131 1.00 0.00 C ATOM 0 H ILE D 81 -7.505 0.964 4.983 1.00 0.00 H new ATOM 0 HA ILE D 81 -8.764 3.432 5.634 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.039 2.665 4.680 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -6.827 3.391 7.507 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -6.913 1.743 6.916 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.289 4.831 5.686 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.418 5.064 4.330 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -6.991 5.240 6.006 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -4.847 2.123 8.152 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -4.496 1.771 6.444 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -4.408 3.444 7.043 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.017 2.940 2.465 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.421 3.296 1.123 1.00 0.00 C ATOM 1058 C ILE D 82 -9.926 3.368 0.929 1.00 0.00 C ATOM 1059 O ILE D 82 -10.408 4.337 0.360 1.00 0.00 O ATOM 1060 CB ILE D 82 -7.739 2.371 0.123 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.284 2.804 0.041 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.391 2.395 -1.249 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.404 2.029 -0.911 1.00 0.00 C ATOM 0 H ILE D 82 -7.403 2.126 2.486 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.087 4.317 0.941 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.830 1.340 0.464 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.256 3.855 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.851 2.736 1.039 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -7.860 1.716 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.431 2.080 -1.163 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.351 3.406 -1.653 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.392 2.432 -0.880 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.386 0.979 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.798 2.116 -1.923 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.644 2.350 1.404 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.085 2.304 1.416 1.00 0.00 C ATOM 1077 C LYS D 83 -12.681 3.468 2.178 1.00 0.00 C ATOM 1078 O LYS D 83 -13.751 3.910 1.824 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.503 0.927 1.901 1.00 0.00 C ATOM 1080 CG LYS D 83 -13.984 0.709 2.138 1.00 0.00 C ATOM 1081 CD LYS D 83 -14.878 0.831 0.930 1.00 0.00 C ATOM 1082 CE LYS D 83 -14.728 -0.366 0.058 1.00 0.00 C ATOM 1083 NZ LYS D 83 -15.398 -0.233 -1.191 1.00 0.00 N ATOM 0 H LYS D 83 -10.214 1.514 1.801 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.492 2.434 0.413 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.163 0.192 1.171 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -11.975 0.720 2.832 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.120 -0.285 2.565 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.320 1.427 2.887 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -15.916 0.933 1.245 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -14.625 1.732 0.371 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -13.668 -0.547 -0.122 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -15.116 -1.240 0.581 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -15.258 -1.096 -1.754 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -16.415 -0.089 -1.026 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -15.012 0.583 -1.707 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.009 4.033 3.166 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.391 5.228 3.883 1.00 0.00 C ATOM 1099 C ALA D 84 -11.943 6.497 3.181 1.00 0.00 C ATOM 1100 O ALA D 84 -12.677 7.439 3.112 1.00 0.00 O ATOM 1101 CB ALA D 84 -11.873 5.138 5.303 1.00 0.00 C ATOM 0 H ALA D 84 -11.130 3.643 3.506 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.479 5.289 3.908 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.157 6.036 5.851 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.302 4.263 5.792 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -10.787 5.050 5.289 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.735 6.573 2.654 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.142 7.713 2.001 1.00 0.00 C ATOM 1109 C GLY D 85 -10.666 8.055 0.629 1.00 0.00 C ATOM 1110 O GLY D 85 -10.820 9.220 0.343 1.00 0.00 O ATOM 0 H GLY D 85 -10.099 5.776 2.676 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.278 8.583 2.644 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.069 7.540 1.922 1.00 0.00 H new ATOM 1114 N GLY D 86 -10.980 7.094 -0.228 1.00 0.00 N ATOM 1115 CA GLY D 86 -11.426 7.315 -1.584 1.00 0.00 C ATOM 1116 C GLY D 86 -10.349 7.704 -2.568 1.00 0.00 C ATOM 1117 O GLY D 86 -10.577 8.507 -3.432 1.00 0.00 O ATOM 0 H GLY D 86 -10.927 6.105 0.017 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.909 6.406 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.185 8.097 -1.575 1.00 0.00 H new ATOM 1121 N PHE D 87 -9.167 7.146 -2.425 1.00 0.00 N ATOM 1122 CA PHE D 87 -7.972 7.355 -3.206 1.00 0.00 C ATOM 1123 C PHE D 87 -8.128 7.196 -4.686 1.00 0.00 C ATOM 1124 O PHE D 87 -7.795 8.053 -5.438 1.00 0.00 O ATOM 1125 CB PHE D 87 -6.871 6.433 -2.715 1.00 0.00 C ATOM 1126 CG PHE D 87 -6.352 6.665 -1.325 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -7.091 6.241 -0.220 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -5.111 7.276 -1.137 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.526 6.238 1.055 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.544 7.315 0.137 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.250 6.780 1.215 1.00 0.00 C ATOM 0 H PHE D 87 -9.005 6.466 -1.682 1.00 0.00 H new ATOM 0 HA PHE D 87 -7.719 8.404 -3.054 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -7.238 5.408 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -6.032 6.510 -3.406 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -8.111 5.912 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -4.592 7.717 -1.975 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -7.062 5.827 1.897 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.569 7.755 0.287 1.00 0.00 H new ATOM 0 HZ PHE D 87 -4.798 6.785 2.196 1.00 0.00 H new HETATM 1141 N NH2 D 88 -8.650 6.098 -5.168 1.00 0.00 N TER 1144 NH2 D 88