USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 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 ----------------------------------------------------------------- ATOM 7 N ALA A 2 3.092 13.249 -2.148 1.00 0.00 N ATOM 8 CA ALA A 2 1.822 12.596 -2.370 1.00 0.00 C ATOM 9 C ALA A 2 1.212 12.850 -3.730 1.00 0.00 C ATOM 10 O ALA A 2 0.087 12.443 -3.960 1.00 0.00 O ATOM 11 CB ALA A 2 0.897 12.877 -1.210 1.00 0.00 C ATOM 0 HA ALA A 2 2.005 11.522 -2.400 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.060 12.384 -1.380 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.342 12.499 -0.290 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.740 13.952 -1.122 1.00 0.00 H new ATOM 17 N LYS A 3 1.930 13.455 -4.666 1.00 0.00 N ATOM 18 CA LYS A 3 1.582 13.560 -6.063 1.00 0.00 C ATOM 19 C LYS A 3 1.524 12.207 -6.732 1.00 0.00 C ATOM 20 O LYS A 3 0.745 11.991 -7.630 1.00 0.00 O ATOM 21 CB LYS A 3 2.538 14.475 -6.789 1.00 0.00 C ATOM 22 CG LYS A 3 2.359 15.901 -6.405 1.00 0.00 C ATOM 23 CD LYS A 3 2.654 16.775 -7.227 1.00 0.00 C ATOM 24 CE LYS A 3 2.495 18.182 -6.883 1.00 0.00 C ATOM 25 NZ LYS A 3 3.381 19.035 -7.560 1.00 0.00 N ATOM 0 H LYS A 3 2.818 13.908 -4.452 1.00 0.00 H new ATOM 0 HA LYS A 3 0.583 13.993 -6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.562 14.170 -6.575 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.392 14.370 -7.864 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.313 16.042 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.949 16.079 -5.506 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.698 16.624 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.061 16.591 -8.123 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.472 18.487 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.639 18.302 -5.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.210 20.018 -7.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.360 18.771 -7.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.230 18.950 -8.585 1.00 0.00 H new ATOM 39 N ALA A 4 2.298 11.246 -6.250 1.00 0.00 N ATOM 40 CA ALA A 4 2.326 9.846 -6.588 1.00 0.00 C ATOM 41 C ALA A 4 1.122 9.054 -6.125 1.00 0.00 C ATOM 42 O ALA A 4 0.921 7.895 -6.467 1.00 0.00 O ATOM 43 CB ALA A 4 3.607 9.316 -5.982 1.00 0.00 C ATOM 0 H ALA A 4 2.994 11.460 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 4 2.289 9.733 -7.671 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.699 8.252 -6.198 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.458 9.847 -6.408 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.588 9.467 -4.903 1.00 0.00 H new ATOM 49 N ALA A 5 0.289 9.633 -5.270 1.00 0.00 N ATOM 50 CA ALA A 5 -0.743 8.979 -4.497 1.00 0.00 C ATOM 51 C ALA A 5 -2.091 8.810 -5.163 1.00 0.00 C ATOM 52 O ALA A 5 -3.044 8.402 -4.530 1.00 0.00 O ATOM 53 CB ALA A 5 -0.823 9.595 -3.111 1.00 0.00 C ATOM 0 H ALA A 5 0.324 10.637 -5.091 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.423 7.941 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.603 9.096 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.134 9.476 -2.604 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.058 10.656 -3.197 1.00 0.00 H new ATOM 59 N ALA A 6 -2.214 9.021 -6.456 1.00 0.00 N ATOM 60 CA ALA A 6 -3.133 8.296 -7.300 1.00 0.00 C ATOM 61 C ALA A 6 -2.451 7.098 -7.925 1.00 0.00 C ATOM 62 O ALA A 6 -2.920 5.993 -7.726 1.00 0.00 O ATOM 63 CB ALA A 6 -3.771 9.212 -8.326 1.00 0.00 C ATOM 0 H ALA A 6 -1.664 9.718 -6.959 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.946 7.912 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.459 8.639 -8.948 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.318 10.005 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.996 9.652 -8.953 1.00 0.00 H new ATOM 69 N ALA A 7 -1.329 7.281 -8.609 1.00 0.00 N ATOM 70 CA ALA A 7 -0.634 6.274 -9.374 1.00 0.00 C ATOM 71 C ALA A 7 -0.276 5.034 -8.589 1.00 0.00 C ATOM 72 O ALA A 7 -0.380 3.930 -9.096 1.00 0.00 O ATOM 73 CB ALA A 7 0.615 6.892 -9.961 1.00 0.00 C ATOM 0 H ALA A 7 -0.861 8.187 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.318 5.938 -10.153 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.153 6.143 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 7 0.339 7.725 -10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.255 7.254 -9.156 1.00 0.00 H new ATOM 79 N ALA A 8 0.110 5.193 -7.326 1.00 0.00 N ATOM 80 CA ALA A 8 0.532 4.102 -6.479 1.00 0.00 C ATOM 81 C ALA A 8 -0.654 3.239 -6.101 1.00 0.00 C ATOM 82 O ALA A 8 -0.644 2.050 -6.228 1.00 0.00 O ATOM 83 CB ALA A 8 1.176 4.720 -5.251 1.00 0.00 C ATOM 0 H ALA A 8 0.136 6.102 -6.863 1.00 0.00 H new ATOM 0 HA ALA A 8 1.242 3.455 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.512 3.930 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.030 5.326 -5.554 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.449 5.349 -4.737 1.00 0.00 H new ATOM 89 N ILE A 9 -1.717 3.916 -5.706 1.00 0.00 N ATOM 90 CA ILE A 9 -2.965 3.338 -5.269 1.00 0.00 C ATOM 91 C ILE A 9 -3.679 2.622 -6.401 1.00 0.00 C ATOM 92 O ILE A 9 -4.185 1.528 -6.218 1.00 0.00 O ATOM 93 CB ILE A 9 -3.874 4.425 -4.720 1.00 0.00 C ATOM 94 CG1 ILE A 9 -3.174 5.409 -3.798 1.00 0.00 C ATOM 95 CG2 ILE A 9 -5.114 3.802 -4.100 1.00 0.00 C ATOM 96 CD1 ILE A 9 -2.651 4.830 -2.493 1.00 0.00 C ATOM 0 H ILE A 9 -1.729 4.936 -5.682 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.735 2.610 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.188 5.041 -5.563 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.338 5.853 -4.338 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.868 6.216 -3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.760 4.588 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.653 3.233 -4.858 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.820 3.137 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.170 5.617 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.480 4.413 -1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.927 4.044 -2.708 1.00 0.00 H new ATOM 108 N LYS A 10 -3.717 3.231 -7.583 1.00 0.00 N ATOM 109 CA LYS A 10 -4.363 2.703 -8.763 1.00 0.00 C ATOM 110 C LYS A 10 -3.702 1.465 -9.334 1.00 0.00 C ATOM 111 O LYS A 10 -4.399 0.625 -9.853 1.00 0.00 O ATOM 112 CB LYS A 10 -4.502 3.809 -9.796 1.00 0.00 C ATOM 113 CG LYS A 10 -5.574 4.815 -9.423 1.00 0.00 C ATOM 114 CD LYS A 10 -5.849 5.843 -10.504 1.00 0.00 C ATOM 115 CE LYS A 10 -6.683 5.318 -11.630 1.00 0.00 C ATOM 116 NZ LYS A 10 -6.991 6.339 -12.583 1.00 0.00 N ATOM 0 H LYS A 10 -3.280 4.139 -7.743 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.353 2.358 -8.463 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.547 4.323 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.740 3.370 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.498 4.282 -9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.274 5.331 -8.511 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.353 6.701 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.900 6.202 -10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.153 4.505 -12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.608 4.900 -11.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.570 5.937 -13.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.519 7.103 -12.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.109 6.720 -12.980 1.00 0.00 H new ATOM 130 N ALA A 11 -2.411 1.292 -9.131 1.00 0.00 N ATOM 131 CA ALA A 11 -1.790 -0.004 -9.189 1.00 0.00 C ATOM 132 C ALA A 11 -2.312 -0.911 -8.092 1.00 0.00 C ATOM 133 O ALA A 11 -2.931 -1.930 -8.356 1.00 0.00 O ATOM 134 CB ALA A 11 -0.283 0.155 -9.225 1.00 0.00 C ATOM 0 H ALA A 11 -1.766 2.054 -8.921 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.062 -0.513 -10.113 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.186 -0.828 -9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.001 0.732 -10.105 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.049 0.676 -8.327 1.00 0.00 H new ATOM 140 N ILE A 12 -2.043 -0.554 -6.841 1.00 0.00 N ATOM 141 CA ILE A 12 -2.164 -1.450 -5.716 1.00 0.00 C ATOM 142 C ILE A 12 -3.589 -1.920 -5.491 1.00 0.00 C ATOM 143 O ILE A 12 -3.741 -3.123 -5.316 1.00 0.00 O ATOM 144 CB ILE A 12 -1.524 -0.832 -4.485 1.00 0.00 C ATOM 145 CG1 ILE A 12 -0.078 -1.254 -4.343 1.00 0.00 C ATOM 146 CG2 ILE A 12 -2.202 -1.113 -3.174 1.00 0.00 C ATOM 147 CD1 ILE A 12 0.843 -0.942 -5.498 1.00 0.00 C ATOM 0 H ILE A 12 -1.730 0.383 -6.585 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.613 -2.362 -5.944 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.626 0.236 -4.676 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.327 -0.780 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.054 -2.330 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.656 -0.621 -2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.224 -0.734 -3.204 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.219 -2.188 -2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.848 -1.296 -5.268 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.480 -1.439 -6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.867 0.135 -5.663 1.00 0.00 H new ATOM 159 N ALA A 13 -4.636 -1.101 -5.561 1.00 0.00 N ATOM 160 CA ALA A 13 -5.996 -1.561 -5.378 1.00 0.00 C ATOM 161 C ALA A 13 -6.457 -2.558 -6.429 1.00 0.00 C ATOM 162 O ALA A 13 -7.224 -3.451 -6.114 1.00 0.00 O ATOM 163 CB ALA A 13 -6.903 -0.341 -5.316 1.00 0.00 C ATOM 0 H ALA A 13 -4.557 -0.101 -5.747 1.00 0.00 H new ATOM 0 HA ALA A 13 -6.044 -2.119 -4.443 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.936 -0.662 -5.178 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.605 0.292 -4.480 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.819 0.222 -6.245 1.00 0.00 H new ATOM 169 N ALA A 14 -5.960 -2.441 -7.657 1.00 0.00 N ATOM 170 CA ALA A 14 -6.219 -3.370 -8.730 1.00 0.00 C ATOM 171 C ALA A 14 -5.430 -4.657 -8.609 1.00 0.00 C ATOM 172 O ALA A 14 -5.938 -5.721 -8.883 1.00 0.00 O ATOM 173 CB ALA A 14 -5.883 -2.704 -10.052 1.00 0.00 C ATOM 0 H ALA A 14 -5.349 -1.672 -7.931 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.275 -3.637 -8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.076 -3.399 -10.869 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.501 -1.815 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.831 -2.419 -10.059 1.00 0.00 H new ATOM 179 N ILE A 15 -4.219 -4.578 -8.080 1.00 0.00 N ATOM 180 CA ILE A 15 -3.377 -5.692 -7.704 1.00 0.00 C ATOM 181 C ILE A 15 -3.971 -6.465 -6.540 1.00 0.00 C ATOM 182 O ILE A 15 -4.018 -7.685 -6.540 1.00 0.00 O ATOM 183 CB ILE A 15 -1.985 -5.163 -7.406 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.260 -4.780 -8.685 1.00 0.00 C ATOM 185 CG2 ILE A 15 -1.118 -6.096 -6.585 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.093 -3.826 -8.522 1.00 0.00 C ATOM 0 H ILE A 15 -3.776 -3.679 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.311 -6.405 -8.526 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.150 -4.279 -6.790 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.896 -5.691 -9.161 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.980 -4.329 -9.368 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.143 -5.637 -6.421 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.596 -6.286 -5.624 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.990 -7.038 -7.119 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.349 -3.622 -9.497 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.444 -2.893 -8.081 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.656 -4.276 -7.871 1.00 0.00 H new ATOM 198 N ILE A 16 -4.476 -5.795 -5.507 1.00 0.00 N ATOM 199 CA ILE A 16 -5.236 -6.325 -4.399 1.00 0.00 C ATOM 200 C ILE A 16 -6.470 -7.101 -4.821 1.00 0.00 C ATOM 201 O ILE A 16 -6.707 -8.178 -4.304 1.00 0.00 O ATOM 202 CB ILE A 16 -5.543 -5.236 -3.386 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.238 -4.844 -2.707 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.543 -5.705 -2.344 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.349 -3.785 -1.625 1.00 0.00 C ATOM 0 H ILE A 16 -4.349 -4.786 -5.425 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.603 -7.066 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.987 -4.384 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.795 -5.739 -2.269 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.547 -4.486 -3.470 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.737 -4.898 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.474 -5.989 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.137 -6.565 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.361 -3.584 -1.210 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.757 -2.869 -2.053 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.009 -4.141 -0.834 1.00 0.00 H new ATOM 217 N LYS A 17 -7.187 -6.595 -5.816 1.00 0.00 N ATOM 218 CA LYS A 17 -8.326 -7.240 -6.425 1.00 0.00 C ATOM 219 C LYS A 17 -7.981 -8.573 -7.058 1.00 0.00 C ATOM 220 O LYS A 17 -8.824 -9.439 -7.117 1.00 0.00 O ATOM 221 CB LYS A 17 -8.911 -6.202 -7.364 1.00 0.00 C ATOM 222 CG LYS A 17 -9.929 -6.694 -8.370 1.00 0.00 C ATOM 223 CD LYS A 17 -11.151 -7.339 -7.747 1.00 0.00 C ATOM 224 CE LYS A 17 -11.526 -8.534 -8.516 1.00 0.00 C ATOM 225 NZ LYS A 17 -12.762 -9.115 -8.115 1.00 0.00 N ATOM 0 H LYS A 17 -6.977 -5.688 -6.232 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.077 -7.539 -5.694 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.377 -5.422 -6.762 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.091 -5.736 -7.910 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.249 -5.855 -8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.450 -7.414 -9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.943 -7.611 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.979 -6.631 -7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.586 -8.270 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -10.737 -9.279 -8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.959 -9.951 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.705 -9.398 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.527 -8.421 -8.234 1.00 0.00 H new ATOM 239 N ALA A 18 -6.749 -8.775 -7.507 1.00 0.00 N ATOM 240 CA ALA A 18 -6.250 -10.049 -7.953 1.00 0.00 C ATOM 241 C ALA A 18 -5.723 -10.877 -6.813 1.00 0.00 C ATOM 242 O ALA A 18 -5.987 -12.043 -6.747 1.00 0.00 O ATOM 243 CB ALA A 18 -5.199 -9.823 -8.993 1.00 0.00 C ATOM 0 H ALA A 18 -6.057 -8.028 -7.569 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.074 -10.616 -8.387 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.815 -10.783 -9.337 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.631 -9.282 -9.835 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.384 -9.238 -8.566 1.00 0.00 H new ATOM 249 N GLY A 19 -5.001 -10.299 -5.873 1.00 0.00 N ATOM 250 CA GLY A 19 -4.384 -10.985 -4.773 1.00 0.00 C ATOM 251 C GLY A 19 -5.312 -11.523 -3.710 1.00 0.00 C ATOM 252 O GLY A 19 -5.189 -12.666 -3.305 1.00 0.00 O ATOM 0 H GLY A 19 -4.826 -9.294 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.803 -11.817 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.679 -10.303 -4.297 1.00 0.00 H new ATOM 256 N GLY A 20 -6.246 -10.720 -3.219 1.00 0.00 N ATOM 257 CA GLY A 20 -7.105 -10.982 -2.094 1.00 0.00 C ATOM 258 C GLY A 20 -6.529 -10.770 -0.718 1.00 0.00 C ATOM 259 O GLY A 20 -6.960 -11.402 0.203 1.00 0.00 O ATOM 0 H GLY A 20 -6.429 -9.806 -3.633 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.988 -10.351 -2.190 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.443 -12.016 -2.162 1.00 0.00 H new ATOM 263 N PHE A 21 -5.580 -9.864 -0.578 1.00 0.00 N ATOM 264 CA PHE A 21 -4.797 -9.559 0.590 1.00 0.00 C ATOM 265 C PHE A 21 -5.568 -9.533 1.876 1.00 0.00 C ATOM 266 O PHE A 21 -5.304 -10.288 2.746 1.00 0.00 O ATOM 267 CB PHE A 21 -4.043 -8.259 0.374 1.00 0.00 C ATOM 268 CG PHE A 21 -2.946 -8.277 -0.658 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.276 -8.162 -2.007 1.00 0.00 C ATOM 270 CD2 PHE A 21 -1.604 -8.261 -0.284 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.297 -7.910 -2.972 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.605 -8.094 -1.244 1.00 0.00 C ATOM 273 CZ PHE A 21 -0.958 -7.910 -2.576 1.00 0.00 C ATOM 0 H PHE A 21 -5.317 -9.267 -1.362 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.096 -10.385 0.710 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.763 -7.491 0.092 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.609 -7.955 1.327 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.306 -8.270 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.335 -8.379 0.755 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.570 -7.720 -4.000 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.435 -8.108 -0.954 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.185 -7.765 -3.316 1.00 0.00 H new ATOM 293 N ALA B 24 -2.333 -13.399 -1.963 1.00 0.00 N ATOM 294 CA ALA B 24 -1.630 -14.595 -1.573 1.00 0.00 C ATOM 295 C ALA B 24 -0.266 -14.743 -2.210 1.00 0.00 C ATOM 296 O ALA B 24 0.668 -15.109 -1.546 1.00 0.00 O ATOM 297 CB ALA B 24 -2.517 -15.790 -1.863 1.00 0.00 C ATOM 0 HA ALA B 24 -1.423 -14.527 -0.505 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -2.000 -16.705 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -3.444 -15.702 -1.296 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.745 -15.824 -2.928 1.00 0.00 H new ATOM 303 N LYS B 25 -0.167 -14.429 -3.494 1.00 0.00 N ATOM 304 CA LYS B 25 1.037 -14.398 -4.290 1.00 0.00 C ATOM 305 C LYS B 25 1.262 -13.087 -5.007 1.00 0.00 C ATOM 306 O LYS B 25 2.345 -12.833 -5.489 1.00 0.00 O ATOM 307 CB LYS B 25 0.985 -15.538 -5.286 1.00 0.00 C ATOM 308 CG LYS B 25 0.730 -16.905 -4.686 1.00 0.00 C ATOM 309 CD LYS B 25 0.883 -17.981 -5.722 1.00 0.00 C ATOM 310 CE LYS B 25 0.731 -19.339 -5.188 1.00 0.00 C ATOM 311 NZ LYS B 25 0.924 -20.374 -6.168 1.00 0.00 N ATOM 0 H LYS B 25 -0.990 -14.172 -4.040 1.00 0.00 H new ATOM 0 HA LYS B 25 1.881 -14.508 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS B 25 0.203 -15.327 -6.015 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.929 -15.568 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.426 -17.082 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.275 -16.940 -4.265 1.00 0.00 H new ATOM 0 HD2 LYS B 25 0.144 -17.824 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS B 25 1.865 -17.890 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS B 25 1.445 -19.482 -4.377 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.265 -19.441 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 0.801 -21.304 -5.719 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 0.227 -20.263 -6.932 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 1.884 -20.304 -6.563 1.00 0.00 H new ATOM 325 N ALA B 26 0.277 -12.194 -5.003 1.00 0.00 N ATOM 326 CA ALA B 26 0.355 -10.863 -5.554 1.00 0.00 C ATOM 327 C ALA B 26 1.200 -9.903 -4.742 1.00 0.00 C ATOM 328 O ALA B 26 1.335 -8.742 -5.097 1.00 0.00 O ATOM 329 CB ALA B 26 -1.069 -10.374 -5.724 1.00 0.00 C ATOM 0 H ALA B 26 -0.635 -12.397 -4.595 1.00 0.00 H new ATOM 0 HA ALA B 26 0.873 -10.903 -6.512 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -1.061 -9.367 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.605 -11.041 -6.400 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.568 -10.362 -4.755 1.00 0.00 H new ATOM 335 N ALA B 27 1.751 -10.340 -3.617 1.00 0.00 N ATOM 336 CA ALA B 27 2.413 -9.488 -2.660 1.00 0.00 C ATOM 337 C ALA B 27 3.549 -8.705 -3.275 1.00 0.00 C ATOM 338 O ALA B 27 3.510 -7.489 -3.241 1.00 0.00 O ATOM 339 CB ALA B 27 2.776 -10.297 -1.431 1.00 0.00 C ATOM 0 H ALA B 27 1.745 -11.323 -3.346 1.00 0.00 H new ATOM 0 HA ALA B 27 1.728 -8.708 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.276 -9.654 -0.707 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.870 -10.709 -0.986 1.00 0.00 H new ATOM 0 HB3 ALA B 27 3.443 -11.111 -1.715 1.00 0.00 H new ATOM 345 N ALA B 28 4.505 -9.374 -3.901 1.00 0.00 N ATOM 346 CA ALA B 28 5.643 -8.740 -4.519 1.00 0.00 C ATOM 347 C ALA B 28 5.256 -7.632 -5.477 1.00 0.00 C ATOM 348 O ALA B 28 5.842 -6.626 -5.494 1.00 0.00 O ATOM 349 CB ALA B 28 6.508 -9.766 -5.221 1.00 0.00 C ATOM 0 H ALA B 28 4.505 -10.390 -3.991 1.00 0.00 H new ATOM 0 HA ALA B 28 6.214 -8.275 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.362 -9.268 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA B 28 6.863 -10.500 -4.497 1.00 0.00 H new ATOM 0 HB3 ALA B 28 5.923 -10.269 -5.991 1.00 0.00 H new ATOM 355 N ALA B 29 4.249 -7.822 -6.284 1.00 0.00 N ATOM 356 CA ALA B 29 3.709 -6.822 -7.174 1.00 0.00 C ATOM 357 C ALA B 29 3.151 -5.596 -6.493 1.00 0.00 C ATOM 358 O ALA B 29 3.286 -4.521 -7.020 1.00 0.00 O ATOM 359 CB ALA B 29 2.665 -7.485 -8.040 1.00 0.00 C ATOM 0 H ALA B 29 3.759 -8.715 -6.345 1.00 0.00 H new ATOM 0 HA ALA B 29 4.537 -6.437 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA B 29 2.239 -6.750 -8.724 1.00 0.00 H new ATOM 0 HB2 ALA B 29 3.125 -8.290 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA B 29 1.875 -7.894 -7.409 1.00 0.00 H new ATOM 365 N ALA B 30 2.533 -5.708 -5.325 1.00 0.00 N ATOM 366 CA ALA B 30 2.005 -4.613 -4.541 1.00 0.00 C ATOM 367 C ALA B 30 3.082 -3.878 -3.768 1.00 0.00 C ATOM 368 O ALA B 30 3.145 -2.663 -3.824 1.00 0.00 O ATOM 369 CB ALA B 30 0.962 -5.135 -3.569 1.00 0.00 C ATOM 0 H ALA B 30 2.382 -6.614 -4.881 1.00 0.00 H new ATOM 0 HA ALA B 30 1.559 -3.905 -5.240 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.567 -4.307 -2.980 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.151 -5.606 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.419 -5.868 -2.904 1.00 0.00 H new ATOM 375 N ILE B 31 3.955 -4.590 -3.070 1.00 0.00 N ATOM 376 CA ILE B 31 5.020 -3.994 -2.299 1.00 0.00 C ATOM 377 C ILE B 31 5.942 -3.180 -3.181 1.00 0.00 C ATOM 378 O ILE B 31 6.224 -2.031 -2.893 1.00 0.00 O ATOM 379 CB ILE B 31 5.808 -5.058 -1.560 1.00 0.00 C ATOM 380 CG1 ILE B 31 5.013 -6.098 -0.797 1.00 0.00 C ATOM 381 CG2 ILE B 31 6.770 -4.382 -0.598 1.00 0.00 C ATOM 382 CD1 ILE B 31 3.918 -5.559 0.087 1.00 0.00 C ATOM 0 H ILE B 31 3.938 -5.609 -3.027 1.00 0.00 H new ATOM 0 HA ILE B 31 4.566 -3.325 -1.568 1.00 0.00 H new ATOM 0 HB ILE B 31 6.308 -5.618 -2.350 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.570 -6.789 -1.514 1.00 0.00 H new ATOM 0 HG13 ILE B 31 5.702 -6.676 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE B 31 7.341 -5.140 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.452 -3.741 -1.156 1.00 0.00 H new ATOM 0 HG23 ILE B 31 6.208 -3.779 0.115 1.00 0.00 H new ATOM 0 HD11 ILE B 31 3.413 -6.386 0.586 1.00 0.00 H new ATOM 0 HD12 ILE B 31 4.349 -4.893 0.835 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.199 -5.008 -0.519 1.00 0.00 H new ATOM 394 N LYS B 32 6.404 -3.762 -4.281 1.00 0.00 N ATOM 395 CA LYS B 32 7.368 -3.172 -5.182 1.00 0.00 C ATOM 396 C LYS B 32 6.828 -1.975 -5.935 1.00 0.00 C ATOM 397 O LYS B 32 7.559 -1.039 -6.150 1.00 0.00 O ATOM 398 CB LYS B 32 7.825 -4.235 -6.166 1.00 0.00 C ATOM 399 CG LYS B 32 8.696 -5.300 -5.530 1.00 0.00 C ATOM 400 CD LYS B 32 9.271 -6.233 -6.526 1.00 0.00 C ATOM 401 CE LYS B 32 10.208 -7.246 -5.941 1.00 0.00 C ATOM 402 NZ LYS B 32 10.759 -8.156 -6.881 1.00 0.00 N ATOM 0 H LYS B 32 6.102 -4.691 -4.575 1.00 0.00 H new ATOM 0 HA LYS B 32 8.201 -2.807 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS B 32 6.950 -4.708 -6.612 1.00 0.00 H new ATOM 0 HB3 LYS B 32 8.377 -3.758 -6.976 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.504 -4.821 -4.977 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.106 -5.864 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS B 32 8.458 -6.754 -7.032 1.00 0.00 H new ATOM 0 HD3 LYS B 32 9.802 -5.657 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS B 32 11.023 -6.722 -5.442 1.00 0.00 H new ATOM 0 HE3 LYS B 32 9.678 -7.812 -5.175 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 11.393 -8.819 -6.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 9.992 -8.687 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 11.296 -7.630 -7.600 1.00 0.00 H new ATOM 416 N ALA B 33 5.536 -1.915 -6.196 1.00 0.00 N ATOM 417 CA ALA B 33 4.859 -0.790 -6.784 1.00 0.00 C ATOM 418 C ALA B 33 4.429 0.259 -5.773 1.00 0.00 C ATOM 419 O ALA B 33 3.884 1.279 -6.155 1.00 0.00 O ATOM 420 CB ALA B 33 3.740 -1.268 -7.690 1.00 0.00 C ATOM 0 H ALA B 33 4.906 -2.690 -5.991 1.00 0.00 H new ATOM 0 HA ALA B 33 5.578 -0.259 -7.408 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.235 -0.408 -8.129 1.00 0.00 H new ATOM 0 HB2 ALA B 33 4.155 -1.889 -8.484 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.025 -1.851 -7.109 1.00 0.00 H new ATOM 426 N ILE B 34 4.669 0.031 -4.490 1.00 0.00 N ATOM 427 CA ILE B 34 4.448 1.015 -3.462 1.00 0.00 C ATOM 428 C ILE B 34 5.742 1.419 -2.787 1.00 0.00 C ATOM 429 O ILE B 34 5.981 2.608 -2.801 1.00 0.00 O ATOM 430 CB ILE B 34 3.326 0.592 -2.531 1.00 0.00 C ATOM 431 CG1 ILE B 34 2.112 1.498 -2.662 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.673 0.321 -1.084 1.00 0.00 C ATOM 433 CD1 ILE B 34 2.210 2.869 -2.040 1.00 0.00 C ATOM 0 H ILE B 34 5.027 -0.857 -4.138 1.00 0.00 H new ATOM 0 HA ILE B 34 4.091 1.937 -3.920 1.00 0.00 H new ATOM 0 HB ILE B 34 3.082 -0.404 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE B 34 1.895 1.622 -3.723 1.00 0.00 H new ATOM 0 HG13 ILE B 34 1.258 0.986 -2.220 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.773 0.029 -0.543 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.406 -0.484 -1.030 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.090 1.222 -0.635 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.279 3.411 -2.205 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.388 2.771 -0.969 1.00 0.00 H new ATOM 0 HD13 ILE B 34 3.035 3.417 -2.496 1.00 0.00 H new ATOM 445 N ALA B 35 6.561 0.559 -2.193 1.00 0.00 N ATOM 446 CA ALA B 35 7.673 0.987 -1.380 1.00 0.00 C ATOM 447 C ALA B 35 8.724 1.746 -2.165 1.00 0.00 C ATOM 448 O ALA B 35 9.215 2.768 -1.705 1.00 0.00 O ATOM 449 CB ALA B 35 8.258 -0.214 -0.673 1.00 0.00 C ATOM 0 H ALA B 35 6.465 -0.454 -2.267 1.00 0.00 H new ATOM 0 HA ALA B 35 7.301 1.697 -0.642 1.00 0.00 H new ATOM 0 HB1 ALA B 35 9.100 0.101 -0.056 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.496 -0.671 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.601 -0.939 -1.411 1.00 0.00 H new ATOM 455 N ALA B 36 8.990 1.311 -3.391 1.00 0.00 N ATOM 456 CA ALA B 36 9.870 1.978 -4.319 1.00 0.00 C ATOM 457 C ALA B 36 9.321 3.281 -4.869 1.00 0.00 C ATOM 458 O ALA B 36 10.053 4.189 -5.217 1.00 0.00 O ATOM 459 CB ALA B 36 10.194 1.031 -5.453 1.00 0.00 C ATOM 0 H ALA B 36 8.582 0.457 -3.770 1.00 0.00 H new ATOM 0 HA ALA B 36 10.768 2.250 -3.764 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.859 1.525 -6.161 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.683 0.142 -5.056 1.00 0.00 H new ATOM 0 HB3 ALA B 36 9.273 0.743 -5.961 1.00 0.00 H new ATOM 465 N ILE B 37 8.001 3.407 -4.945 1.00 0.00 N ATOM 466 CA ILE B 37 7.274 4.603 -5.307 1.00 0.00 C ATOM 467 C ILE B 37 7.255 5.619 -4.180 1.00 0.00 C ATOM 468 O ILE B 37 7.463 6.805 -4.390 1.00 0.00 O ATOM 469 CB ILE B 37 5.923 4.187 -5.867 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.957 3.819 -7.335 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.822 5.203 -5.666 1.00 0.00 C ATOM 472 CD1 ILE B 37 6.817 2.641 -7.672 1.00 0.00 C ATOM 0 H ILE B 37 7.378 2.625 -4.742 1.00 0.00 H new ATOM 0 HA ILE B 37 7.780 5.151 -6.101 1.00 0.00 H new ATOM 0 HB ILE B 37 5.693 3.301 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE B 37 4.939 3.613 -7.666 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.309 4.681 -7.902 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.895 4.824 -6.096 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.682 5.381 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE B 37 5.095 6.137 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE B 37 6.776 2.456 -8.745 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.846 2.846 -7.378 1.00 0.00 H new ATOM 0 HD13 ILE B 37 6.455 1.762 -7.138 1.00 0.00 H new ATOM 484 N ILE B 38 7.054 5.168 -2.945 1.00 0.00 N ATOM 485 CA ILE B 38 7.139 5.952 -1.735 1.00 0.00 C ATOM 486 C ILE B 38 8.488 6.632 -1.579 1.00 0.00 C ATOM 487 O ILE B 38 8.549 7.809 -1.270 1.00 0.00 O ATOM 488 CB ILE B 38 6.827 5.103 -0.511 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.342 4.776 -0.543 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.160 5.795 0.798 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.827 3.868 0.559 1.00 0.00 C ATOM 0 H ILE B 38 6.815 4.194 -2.761 1.00 0.00 H new ATOM 0 HA ILE B 38 6.388 6.737 -1.818 1.00 0.00 H new ATOM 0 HB ILE B 38 7.446 4.207 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.785 5.712 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE B 38 5.115 4.311 -1.503 1.00 0.00 H new ATOM 0 HG21 ILE B 38 6.914 5.136 1.631 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.224 6.031 0.824 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.582 6.715 0.880 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.757 3.709 0.429 1.00 0.00 H new ATOM 0 HD12 ILE B 38 5.345 2.910 0.513 1.00 0.00 H new ATOM 0 HD13 ILE B 38 5.009 4.332 1.528 1.00 0.00 H new ATOM 503 N LYS B 39 9.569 5.907 -1.847 1.00 0.00 N ATOM 504 CA LYS B 39 10.926 6.399 -1.831 1.00 0.00 C ATOM 505 C LYS B 39 11.170 7.597 -2.722 1.00 0.00 C ATOM 506 O LYS B 39 12.004 8.423 -2.395 1.00 0.00 O ATOM 507 CB LYS B 39 11.807 5.196 -2.119 1.00 0.00 C ATOM 508 CG LYS B 39 13.264 5.501 -2.303 1.00 0.00 C ATOM 509 CD LYS B 39 13.910 6.050 -1.066 1.00 0.00 C ATOM 510 CE LYS B 39 14.991 6.646 -1.329 1.00 0.00 C ATOM 511 NZ LYS B 39 15.515 7.228 -0.163 1.00 0.00 N ATOM 0 H LYS B 39 9.512 4.918 -2.091 1.00 0.00 H new ATOM 0 HA LYS B 39 11.171 6.820 -0.856 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.702 4.484 -1.300 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.439 4.703 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.784 4.592 -2.605 1.00 0.00 H new ATOM 0 HG3 LYS B 39 13.379 6.219 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS B 39 13.225 6.740 -0.573 1.00 0.00 H new ATOM 0 HD3 LYS B 39 14.103 5.238 -0.365 1.00 0.00 H new ATOM 0 HE2 LYS B 39 15.710 5.943 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS B 39 14.818 7.414 -2.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 16.405 7.717 -0.389 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 14.832 7.912 0.221 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 15.697 6.487 0.544 1.00 0.00 H new ATOM 525 N ALA B 40 10.385 7.758 -3.783 1.00 0.00 N ATOM 526 CA ALA B 40 10.300 8.955 -4.580 1.00 0.00 C ATOM 527 C ALA B 40 9.160 9.872 -4.209 1.00 0.00 C ATOM 528 O ALA B 40 9.311 11.003 -4.308 1.00 0.00 O ATOM 529 CB ALA B 40 10.282 8.547 -6.026 1.00 0.00 C ATOM 0 H ALA B 40 9.767 7.018 -4.117 1.00 0.00 H new ATOM 0 HA ALA B 40 11.178 9.568 -4.378 1.00 0.00 H new ATOM 0 HB1 ALA B 40 10.218 9.436 -6.654 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.196 8.001 -6.261 1.00 0.00 H new ATOM 0 HB3 ALA B 40 9.419 7.908 -6.213 1.00 0.00 H new ATOM 535 N GLY B 41 8.007 9.440 -3.812 1.00 0.00 N ATOM 536 CA GLY B 41 6.783 10.175 -3.689 1.00 0.00 C ATOM 537 C GLY B 41 6.497 10.829 -2.359 1.00 0.00 C ATOM 538 O GLY B 41 5.575 11.614 -2.326 1.00 0.00 O ATOM 0 H GLY B 41 7.884 8.465 -3.537 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.778 10.951 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.959 9.498 -3.916 1.00 0.00 H new ATOM 542 N GLY B 42 7.188 10.515 -1.280 1.00 0.00 N ATOM 543 CA GLY B 42 7.124 11.281 -0.070 1.00 0.00 C ATOM 544 C GLY B 42 5.758 11.335 0.573 1.00 0.00 C ATOM 545 O GLY B 42 5.227 12.363 0.795 1.00 0.00 O ATOM 0 H GLY B 42 7.813 9.711 -1.228 1.00 0.00 H new ATOM 0 HA2 GLY B 42 7.831 10.863 0.646 1.00 0.00 H new ATOM 0 HA3 GLY B 42 7.451 12.299 -0.283 1.00 0.00 H new ATOM 549 N PHE B 43 5.145 10.206 0.813 1.00 0.00 N ATOM 550 CA PHE B 43 3.744 10.018 1.078 1.00 0.00 C ATOM 551 C PHE B 43 3.337 10.497 2.445 1.00 0.00 C ATOM 552 O PHE B 43 2.458 11.299 2.583 1.00 0.00 O ATOM 553 CB PHE B 43 3.380 8.569 0.831 1.00 0.00 C ATOM 554 CG PHE B 43 3.166 8.224 -0.616 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.263 8.034 -1.445 1.00 0.00 C ATOM 556 CD2 PHE B 43 1.888 7.926 -1.086 1.00 0.00 C ATOM 557 CE1 PHE B 43 4.103 7.448 -2.701 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.711 7.362 -2.346 1.00 0.00 C ATOM 559 CZ PHE B 43 2.820 7.127 -3.148 1.00 0.00 C ATOM 0 H PHE B 43 5.655 9.323 0.829 1.00 0.00 H new ATOM 0 HA PHE B 43 3.175 10.642 0.389 1.00 0.00 H new ATOM 0 HB2 PHE B 43 4.171 7.934 1.231 1.00 0.00 H new ATOM 0 HB3 PHE B 43 2.472 8.335 1.387 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.245 8.341 -1.116 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.028 8.135 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.963 7.245 -3.321 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.721 7.110 -2.696 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.689 6.691 -4.128 1.00 0.00 H new ATOM 579 N ALA C 46 -6.447 11.285 -1.762 1.00 0.00 N ATOM 580 CA ALA C 46 -5.102 11.267 -1.238 1.00 0.00 C ATOM 581 C ALA C 46 -4.869 12.222 -0.085 1.00 0.00 C ATOM 582 O ALA C 46 -3.796 12.188 0.496 1.00 0.00 O ATOM 583 CB ALA C 46 -4.137 11.579 -2.360 1.00 0.00 C ATOM 0 HA ALA C 46 -4.937 10.268 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.117 11.568 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.237 10.829 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.361 12.564 -2.769 1.00 0.00 H new ATOM 589 N LYS C 47 -5.837 13.029 0.332 1.00 0.00 N ATOM 590 CA LYS C 47 -5.902 13.621 1.638 1.00 0.00 C ATOM 591 C LYS C 47 -5.596 12.648 2.755 1.00 0.00 C ATOM 592 O LYS C 47 -4.950 12.985 3.699 1.00 0.00 O ATOM 593 CB LYS C 47 -7.225 14.294 1.903 1.00 0.00 C ATOM 594 CG LYS C 47 -7.484 15.518 1.065 1.00 0.00 C ATOM 595 CD LYS C 47 -8.672 16.247 1.513 1.00 0.00 C ATOM 596 CE LYS C 47 -8.875 17.508 0.980 1.00 0.00 C ATOM 597 NZ LYS C 47 -10.066 18.166 1.354 1.00 0.00 N ATOM 0 H LYS C 47 -6.623 13.291 -0.263 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.119 14.379 1.633 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.025 13.575 1.729 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -7.271 14.574 2.955 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -6.617 16.177 1.108 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -7.610 15.224 0.023 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -9.548 15.639 1.287 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -8.622 16.342 2.598 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -8.033 18.139 1.265 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -8.858 17.426 -0.107 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -10.107 19.098 0.894 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -10.885 17.597 1.057 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -10.086 18.288 2.387 1.00 0.00 H new ATOM 611 N ALA C 48 -6.039 11.405 2.660 1.00 0.00 N ATOM 612 CA ALA C 48 -5.821 10.303 3.561 1.00 0.00 C ATOM 613 C ALA C 48 -4.465 9.642 3.433 1.00 0.00 C ATOM 614 O ALA C 48 -4.156 8.711 4.158 1.00 0.00 O ATOM 615 CB ALA C 48 -6.945 9.344 3.278 1.00 0.00 C ATOM 0 H ALA C 48 -6.617 11.123 1.868 1.00 0.00 H new ATOM 0 HA ALA C 48 -5.818 10.657 4.592 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -6.852 8.473 3.926 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -7.899 9.836 3.467 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -6.900 9.028 2.236 1.00 0.00 H new ATOM 621 N ALA C 49 -3.640 10.035 2.468 1.00 0.00 N ATOM 622 CA ALA C 49 -2.453 9.293 2.111 1.00 0.00 C ATOM 623 C ALA C 49 -1.393 9.207 3.190 1.00 0.00 C ATOM 624 O ALA C 49 -0.990 8.105 3.468 1.00 0.00 O ATOM 625 CB ALA C 49 -1.915 9.815 0.795 1.00 0.00 C ATOM 0 H ALA C 49 -3.783 10.880 1.915 1.00 0.00 H new ATOM 0 HA ALA C 49 -2.756 8.252 1.994 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.019 9.258 0.522 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -2.670 9.692 0.019 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -1.668 10.872 0.896 1.00 0.00 H new ATOM 631 N ALA C 50 -0.988 10.292 3.836 1.00 0.00 N ATOM 632 CA ALA C 50 -0.044 10.223 4.926 1.00 0.00 C ATOM 633 C ALA C 50 -0.491 9.265 6.010 1.00 0.00 C ATOM 634 O ALA C 50 0.219 8.337 6.361 1.00 0.00 O ATOM 635 CB ALA C 50 0.222 11.613 5.473 1.00 0.00 C ATOM 0 H ALA C 50 -1.306 11.236 3.616 1.00 0.00 H new ATOM 0 HA ALA C 50 0.892 9.822 4.537 1.00 0.00 H new ATOM 0 HB1 ALA C 50 0.935 11.550 6.295 1.00 0.00 H new ATOM 0 HB2 ALA C 50 0.633 12.242 4.683 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -0.711 12.046 5.834 1.00 0.00 H new ATOM 641 N ALA C 51 -1.740 9.387 6.448 1.00 0.00 N ATOM 642 CA ALA C 51 -2.367 8.548 7.445 1.00 0.00 C ATOM 643 C ALA C 51 -2.430 7.076 7.088 1.00 0.00 C ATOM 644 O ALA C 51 -2.257 6.233 7.942 1.00 0.00 O ATOM 645 CB ALA C 51 -3.735 9.137 7.720 1.00 0.00 C ATOM 0 H ALA C 51 -2.367 10.111 6.096 1.00 0.00 H new ATOM 0 HA ALA C 51 -1.749 8.550 8.343 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -4.247 8.534 8.470 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -3.625 10.157 8.088 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.319 9.145 6.800 1.00 0.00 H new ATOM 651 N ALA C 52 -2.635 6.731 5.828 1.00 0.00 N ATOM 652 CA ALA C 52 -2.668 5.353 5.392 1.00 0.00 C ATOM 653 C ALA C 52 -1.280 4.759 5.234 1.00 0.00 C ATOM 654 O ALA C 52 -0.986 3.634 5.603 1.00 0.00 O ATOM 655 CB ALA C 52 -3.429 5.311 4.081 1.00 0.00 C ATOM 0 H ALA C 52 -2.784 7.406 5.078 1.00 0.00 H new ATOM 0 HA ALA C 52 -3.163 4.746 6.150 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -3.475 4.284 3.720 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.440 5.687 4.235 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -2.919 5.932 3.344 1.00 0.00 H new ATOM 661 N ILE C 53 -0.419 5.529 4.574 1.00 0.00 N ATOM 662 CA ILE C 53 0.878 5.093 4.103 1.00 0.00 C ATOM 663 C ILE C 53 1.859 5.011 5.258 1.00 0.00 C ATOM 664 O ILE C 53 2.690 4.112 5.282 1.00 0.00 O ATOM 665 CB ILE C 53 1.375 6.040 3.020 1.00 0.00 C ATOM 666 CG1 ILE C 53 0.435 6.162 1.829 1.00 0.00 C ATOM 667 CG2 ILE C 53 2.766 5.600 2.603 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.554 5.172 0.683 1.00 0.00 C ATOM 0 H ILE C 53 -0.618 6.504 4.349 1.00 0.00 H new ATOM 0 HA ILE C 53 0.790 4.095 3.673 1.00 0.00 H new ATOM 0 HB ILE C 53 1.408 7.046 3.438 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -0.585 6.102 2.209 1.00 0.00 H new ATOM 0 HG13 ILE C 53 0.562 7.161 1.413 1.00 0.00 H new ATOM 0 HG21 ILE C 53 3.141 6.267 1.826 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.433 5.636 3.465 1.00 0.00 H new ATOM 0 HG23 ILE C 53 2.725 4.581 2.218 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.190 5.405 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE C 53 1.551 5.238 0.248 1.00 0.00 H new ATOM 0 HD13 ILE C 53 0.387 4.162 1.056 1.00 0.00 H new ATOM 680 N LYS C 54 1.754 5.884 6.258 1.00 0.00 N ATOM 681 CA LYS C 54 2.620 5.873 7.407 1.00 0.00 C ATOM 682 C LYS C 54 2.428 4.649 8.283 1.00 0.00 C ATOM 683 O LYS C 54 3.383 4.245 8.919 1.00 0.00 O ATOM 684 CB LYS C 54 2.459 7.177 8.172 1.00 0.00 C ATOM 685 CG LYS C 54 3.197 8.316 7.492 1.00 0.00 C ATOM 686 CD LYS C 54 3.172 9.579 8.310 1.00 0.00 C ATOM 687 CE LYS C 54 4.020 9.461 9.525 1.00 0.00 C ATOM 688 NZ LYS C 54 4.138 10.680 10.251 1.00 0.00 N ATOM 0 H LYS C 54 1.052 6.624 6.281 1.00 0.00 H new ATOM 0 HA LYS C 54 3.650 5.801 7.059 1.00 0.00 H new ATOM 0 HB2 LYS C 54 1.401 7.425 8.252 1.00 0.00 H new ATOM 0 HB3 LYS C 54 2.835 7.053 9.187 1.00 0.00 H new ATOM 0 HG2 LYS C 54 4.231 8.021 7.314 1.00 0.00 H new ATOM 0 HG3 LYS C 54 2.747 8.507 6.518 1.00 0.00 H new ATOM 0 HD2 LYS C 54 3.521 10.414 7.702 1.00 0.00 H new ATOM 0 HD3 LYS C 54 2.146 9.804 8.602 1.00 0.00 H new ATOM 0 HE2 LYS C 54 3.601 8.696 10.179 1.00 0.00 H new ATOM 0 HE3 LYS C 54 5.014 9.122 9.234 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 4.741 10.530 11.085 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 4.564 11.407 9.642 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 3.195 10.994 10.557 1.00 0.00 H new ATOM 702 N ALA C 55 1.260 4.026 8.247 1.00 0.00 N ATOM 703 CA ALA C 55 1.095 2.657 8.674 1.00 0.00 C ATOM 704 C ALA C 55 1.886 1.703 7.799 1.00 0.00 C ATOM 705 O ALA C 55 2.796 1.044 8.277 1.00 0.00 O ATOM 706 CB ALA C 55 -0.392 2.358 8.737 1.00 0.00 C ATOM 0 H ALA C 55 0.399 4.464 7.918 1.00 0.00 H new ATOM 0 HA ALA C 55 1.508 2.510 9.672 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -0.543 1.327 9.058 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -0.869 3.033 9.448 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -0.834 2.499 7.750 1.00 0.00 H new ATOM 712 N ILE C 56 1.555 1.588 6.514 1.00 0.00 N ATOM 713 CA ILE C 56 2.043 0.547 5.639 1.00 0.00 C ATOM 714 C ILE C 56 3.539 0.586 5.384 1.00 0.00 C ATOM 715 O ILE C 56 4.170 -0.464 5.403 1.00 0.00 O ATOM 716 CB ILE C 56 1.214 0.457 4.366 1.00 0.00 C ATOM 717 CG1 ILE C 56 0.816 -0.951 3.964 1.00 0.00 C ATOM 718 CG2 ILE C 56 1.767 1.196 3.162 1.00 0.00 C ATOM 719 CD1 ILE C 56 1.886 -1.857 3.410 1.00 0.00 C ATOM 0 H ILE C 56 0.922 2.239 6.049 1.00 0.00 H new ATOM 0 HA ILE C 56 1.903 -0.388 6.182 1.00 0.00 H new ATOM 0 HB ILE C 56 0.314 0.988 4.675 1.00 0.00 H new ATOM 0 HG12 ILE C 56 0.385 -1.439 4.838 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.024 -0.875 3.219 1.00 0.00 H new ATOM 0 HG21 ILE C 56 1.096 1.063 2.314 1.00 0.00 H new ATOM 0 HG22 ILE C 56 1.852 2.258 3.394 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.751 0.799 2.912 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.452 -2.827 3.169 1.00 0.00 H new ATOM 0 HD12 ILE C 56 2.307 -1.413 2.508 1.00 0.00 H new ATOM 0 HD13 ILE C 56 2.673 -1.986 4.152 1.00 0.00 H new ATOM 731 N ALA C 57 4.154 1.761 5.250 1.00 0.00 N ATOM 732 CA ALA C 57 5.590 1.799 5.115 1.00 0.00 C ATOM 733 C ALA C 57 6.366 1.477 6.376 1.00 0.00 C ATOM 734 O ALA C 57 7.462 0.940 6.314 1.00 0.00 O ATOM 735 CB ALA C 57 5.973 3.164 4.591 1.00 0.00 C ATOM 0 H ALA C 57 3.688 2.668 5.233 1.00 0.00 H new ATOM 0 HA ALA C 57 5.865 1.004 4.422 1.00 0.00 H new ATOM 0 HB1 ALA C 57 7.056 3.220 4.479 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.499 3.328 3.623 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.640 3.929 5.292 1.00 0.00 H new ATOM 741 N ALA C 58 5.767 1.685 7.543 1.00 0.00 N ATOM 742 CA ALA C 58 6.296 1.335 8.841 1.00 0.00 C ATOM 743 C ALA C 58 6.087 -0.124 9.179 1.00 0.00 C ATOM 744 O ALA C 58 6.953 -0.726 9.793 1.00 0.00 O ATOM 745 CB ALA C 58 5.689 2.238 9.892 1.00 0.00 C ATOM 0 H ALA C 58 4.850 2.127 7.604 1.00 0.00 H new ATOM 0 HA ALA C 58 7.375 1.485 8.817 1.00 0.00 H new ATOM 0 HB1 ALA C 58 6.087 1.975 10.872 1.00 0.00 H new ATOM 0 HB2 ALA C 58 5.936 3.276 9.667 1.00 0.00 H new ATOM 0 HB3 ALA C 58 4.606 2.115 9.896 1.00 0.00 H new ATOM 751 N ILE C 59 4.980 -0.691 8.709 1.00 0.00 N ATOM 752 CA ILE C 59 4.660 -2.098 8.776 1.00 0.00 C ATOM 753 C ILE C 59 5.593 -2.856 7.847 1.00 0.00 C ATOM 754 O ILE C 59 6.066 -3.929 8.198 1.00 0.00 O ATOM 755 CB ILE C 59 3.185 -2.331 8.495 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.300 -1.769 9.581 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.905 -3.805 8.313 1.00 0.00 C ATOM 758 CD1 ILE C 59 0.883 -1.499 9.168 1.00 0.00 C ATOM 0 H ILE C 59 4.250 -0.147 8.249 1.00 0.00 H new ATOM 0 HA ILE C 59 4.821 -2.482 9.783 1.00 0.00 H new ATOM 0 HB ILE C 59 2.950 -1.801 7.572 1.00 0.00 H new ATOM 0 HG12 ILE C 59 2.292 -2.466 10.419 1.00 0.00 H new ATOM 0 HG13 ILE C 59 2.740 -0.840 9.943 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.844 -3.952 8.113 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.488 -4.185 7.475 1.00 0.00 H new ATOM 0 HG23 ILE C 59 3.181 -4.342 9.220 1.00 0.00 H new ATOM 0 HD11 ILE C 59 0.327 -1.098 10.015 1.00 0.00 H new ATOM 0 HD12 ILE C 59 0.873 -0.776 8.352 1.00 0.00 H new ATOM 0 HD13 ILE C 59 0.418 -2.427 8.836 1.00 0.00 H new ATOM 770 N ILE C 60 5.892 -2.340 6.665 1.00 0.00 N ATOM 771 CA ILE C 60 6.945 -2.787 5.782 1.00 0.00 C ATOM 772 C ILE C 60 8.307 -2.914 6.435 1.00 0.00 C ATOM 773 O ILE C 60 8.937 -3.957 6.361 1.00 0.00 O ATOM 774 CB ILE C 60 6.963 -2.022 4.465 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.793 -2.518 3.631 1.00 0.00 C ATOM 776 CG2 ILE C 60 8.230 -2.184 3.645 1.00 0.00 C ATOM 777 CD1 ILE C 60 5.600 -1.907 2.259 1.00 0.00 C ATOM 0 H ILE C 60 5.372 -1.552 6.279 1.00 0.00 H new ATOM 0 HA ILE C 60 6.688 -3.816 5.531 1.00 0.00 H new ATOM 0 HB ILE C 60 6.903 -0.964 4.719 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.902 -3.595 3.506 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.880 -2.354 4.203 1.00 0.00 H new ATOM 0 HG21 ILE C 60 8.146 -1.602 2.727 1.00 0.00 H new ATOM 0 HG22 ILE C 60 9.085 -1.831 4.222 1.00 0.00 H new ATOM 0 HG23 ILE C 60 8.370 -3.236 3.396 1.00 0.00 H new ATOM 0 HD11 ILE C 60 4.730 -2.356 1.780 1.00 0.00 H new ATOM 0 HD12 ILE C 60 5.446 -0.832 2.358 1.00 0.00 H new ATOM 0 HD13 ILE C 60 6.485 -2.093 1.650 1.00 0.00 H new ATOM 789 N LYS C 61 8.723 -1.871 7.125 1.00 0.00 N ATOM 790 CA LYS C 61 9.943 -1.842 7.895 1.00 0.00 C ATOM 791 C LYS C 61 9.987 -2.848 9.023 1.00 0.00 C ATOM 792 O LYS C 61 11.047 -3.276 9.407 1.00 0.00 O ATOM 793 CB LYS C 61 10.142 -0.389 8.295 1.00 0.00 C ATOM 794 CG LYS C 61 11.290 -0.107 9.243 1.00 0.00 C ATOM 795 CD LYS C 61 12.655 -0.498 8.728 1.00 0.00 C ATOM 796 CE LYS C 61 13.065 0.293 7.532 1.00 0.00 C ATOM 797 NZ LYS C 61 14.414 -0.025 7.154 1.00 0.00 N ATOM 0 H LYS C 61 8.203 -0.995 7.164 1.00 0.00 H new ATOM 0 HA LYS C 61 10.795 -2.178 7.304 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.294 0.198 7.389 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.221 -0.031 8.756 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.297 0.958 9.474 1.00 0.00 H new ATOM 0 HG3 LYS C 61 11.107 -0.635 10.179 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.391 -0.360 9.520 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.654 -1.558 8.475 1.00 0.00 H new ATOM 0 HE2 LYS C 61 12.390 0.084 6.702 1.00 0.00 H new ATOM 0 HE3 LYS C 61 12.984 1.358 7.748 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 14.682 0.535 6.320 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 15.057 0.197 7.941 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.481 -1.038 6.927 1.00 0.00 H new ATOM 811 N ALA C 62 8.846 -3.267 9.554 1.00 0.00 N ATOM 812 CA ALA C 62 8.725 -4.377 10.469 1.00 0.00 C ATOM 813 C ALA C 62 8.693 -5.722 9.772 1.00 0.00 C ATOM 814 O ALA C 62 9.444 -6.619 10.117 1.00 0.00 O ATOM 815 CB ALA C 62 7.519 -4.137 11.356 1.00 0.00 C ATOM 0 H ALA C 62 7.952 -2.822 9.347 1.00 0.00 H new ATOM 0 HA ALA C 62 9.619 -4.425 11.090 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.411 -4.966 12.055 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.655 -3.209 11.912 1.00 0.00 H new ATOM 0 HB3 ALA C 62 6.623 -4.063 10.740 1.00 0.00 H new ATOM 821 N GLY C 63 7.858 -5.892 8.752 1.00 0.00 N ATOM 822 CA GLY C 63 7.662 -7.134 8.048 1.00 0.00 C ATOM 823 C GLY C 63 8.849 -7.630 7.260 1.00 0.00 C ATOM 824 O GLY C 63 9.125 -8.806 7.296 1.00 0.00 O ATOM 0 H GLY C 63 7.282 -5.134 8.387 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.382 -7.901 8.771 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.820 -7.016 7.366 1.00 0.00 H new ATOM 828 N GLY C 64 9.584 -6.736 6.618 1.00 0.00 N ATOM 829 CA GLY C 64 10.756 -7.040 5.837 1.00 0.00 C ATOM 830 C GLY C 64 10.449 -7.516 4.446 1.00 0.00 C ATOM 831 O GLY C 64 11.007 -8.467 4.003 1.00 0.00 O ATOM 0 H GLY C 64 9.365 -5.740 6.632 1.00 0.00 H new ATOM 0 HA2 GLY C 64 11.382 -6.150 5.777 1.00 0.00 H new ATOM 0 HA3 GLY C 64 11.337 -7.804 6.353 1.00 0.00 H new ATOM 835 N PHE C 65 9.492 -6.885 3.783 1.00 0.00 N ATOM 836 CA PHE C 65 8.847 -7.321 2.577 1.00 0.00 C ATOM 837 C PHE C 65 9.808 -7.433 1.430 1.00 0.00 C ATOM 838 O PHE C 65 9.889 -8.456 0.808 1.00 0.00 O ATOM 839 CB PHE C 65 7.707 -6.372 2.239 1.00 0.00 C ATOM 840 CG PHE C 65 6.488 -6.500 3.112 1.00 0.00 C ATOM 841 CD1 PHE C 65 6.414 -5.898 4.364 1.00 0.00 C ATOM 842 CD2 PHE C 65 5.371 -7.155 2.621 1.00 0.00 C ATOM 843 CE1 PHE C 65 5.192 -5.752 5.020 1.00 0.00 C ATOM 844 CE2 PHE C 65 4.142 -7.031 3.263 1.00 0.00 C ATOM 845 CZ PHE C 65 4.062 -6.301 4.441 1.00 0.00 C ATOM 0 H PHE C 65 9.127 -5.989 4.107 1.00 0.00 H new ATOM 0 HA PHE C 65 8.448 -8.321 2.749 1.00 0.00 H new ATOM 0 HB2 PHE C 65 8.076 -5.348 2.305 1.00 0.00 H new ATOM 0 HB3 PHE C 65 7.412 -6.538 1.203 1.00 0.00 H new ATOM 0 HD1 PHE C 65 7.317 -5.538 4.835 1.00 0.00 H new ATOM 0 HD2 PHE C 65 5.454 -7.766 1.734 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.129 -5.222 5.959 1.00 0.00 H new ATOM 0 HE2 PHE C 65 3.260 -7.498 2.849 1.00 0.00 H new ATOM 0 HZ PHE C 65 3.101 -6.159 4.913 1.00 0.00 H new ATOM 865 N ALA D 68 6.719 -11.154 2.967 1.00 0.00 N ATOM 866 CA ALA D 68 5.333 -11.155 2.572 1.00 0.00 C ATOM 867 C ALA D 68 4.382 -11.944 3.447 1.00 0.00 C ATOM 868 O ALA D 68 3.173 -11.815 3.331 1.00 0.00 O ATOM 869 CB ALA D 68 5.262 -11.617 1.130 1.00 0.00 C ATOM 0 HA ALA D 68 4.977 -10.132 2.695 1.00 0.00 H new ATOM 0 HB1 ALA D 68 4.223 -11.628 0.802 1.00 0.00 H new ATOM 0 HB2 ALA D 68 5.834 -10.935 0.501 1.00 0.00 H new ATOM 0 HB3 ALA D 68 5.679 -12.621 1.049 1.00 0.00 H new ATOM 875 N LYS D 69 4.862 -12.681 4.445 1.00 0.00 N ATOM 876 CA LYS D 69 4.116 -13.192 5.572 1.00 0.00 C ATOM 877 C LYS D 69 3.329 -12.143 6.320 1.00 0.00 C ATOM 878 O LYS D 69 2.317 -12.458 6.919 1.00 0.00 O ATOM 879 CB LYS D 69 5.052 -13.925 6.511 1.00 0.00 C ATOM 880 CG LYS D 69 5.656 -15.184 5.979 1.00 0.00 C ATOM 881 CD LYS D 69 6.460 -15.901 7.024 1.00 0.00 C ATOM 882 CE LYS D 69 6.937 -17.161 6.517 1.00 0.00 C ATOM 883 NZ LYS D 69 7.706 -17.919 7.439 1.00 0.00 N ATOM 0 H LYS D 69 5.845 -12.950 4.483 1.00 0.00 H new ATOM 0 HA LYS D 69 3.372 -13.877 5.165 1.00 0.00 H new ATOM 0 HB2 LYS D 69 5.859 -13.248 6.790 1.00 0.00 H new ATOM 0 HB3 LYS D 69 4.506 -14.164 7.424 1.00 0.00 H new ATOM 0 HG2 LYS D 69 4.866 -15.840 5.614 1.00 0.00 H new ATOM 0 HG3 LYS D 69 6.294 -14.949 5.127 1.00 0.00 H new ATOM 0 HD2 LYS D 69 7.304 -15.282 7.330 1.00 0.00 H new ATOM 0 HD3 LYS D 69 5.849 -16.067 7.911 1.00 0.00 H new ATOM 0 HE2 LYS D 69 6.081 -17.758 6.202 1.00 0.00 H new ATOM 0 HE3 LYS D 69 7.540 -16.975 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 8.007 -18.808 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 8.544 -17.373 7.723 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 7.130 -18.132 8.279 1.00 0.00 H new ATOM 897 N ALA D 70 3.789 -10.896 6.302 1.00 0.00 N ATOM 898 CA ALA D 70 3.169 -9.715 6.852 1.00 0.00 C ATOM 899 C ALA D 70 2.071 -9.103 6.013 1.00 0.00 C ATOM 900 O ALA D 70 1.466 -8.131 6.432 1.00 0.00 O ATOM 901 CB ALA D 70 4.306 -8.744 7.091 1.00 0.00 C ATOM 0 H ALA D 70 4.683 -10.677 5.862 1.00 0.00 H new ATOM 0 HA ALA D 70 2.637 -9.982 7.765 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.912 -7.818 7.510 1.00 0.00 H new ATOM 0 HB2 ALA D 70 5.019 -9.183 7.788 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.807 -8.530 6.147 1.00 0.00 H new ATOM 907 N ALA D 71 1.809 -9.601 4.807 1.00 0.00 N ATOM 908 CA ALA D 71 1.121 -8.845 3.785 1.00 0.00 C ATOM 909 C ALA D 71 -0.370 -8.658 3.987 1.00 0.00 C ATOM 910 O ALA D 71 -0.818 -7.545 3.805 1.00 0.00 O ATOM 911 CB ALA D 71 1.459 -9.417 2.420 1.00 0.00 C ATOM 0 H ALA D 71 2.072 -10.543 4.519 1.00 0.00 H new ATOM 0 HA ALA D 71 1.495 -7.824 3.862 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.941 -8.848 1.648 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.535 -9.355 2.256 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.145 -10.460 2.374 1.00 0.00 H new ATOM 917 N ALA D 72 -1.118 -9.663 4.413 1.00 0.00 N ATOM 918 CA ALA D 72 -2.488 -9.500 4.826 1.00 0.00 C ATOM 919 C ALA D 72 -2.624 -8.505 5.965 1.00 0.00 C ATOM 920 O ALA D 72 -3.421 -7.587 5.883 1.00 0.00 O ATOM 921 CB ALA D 72 -3.067 -10.860 5.177 1.00 0.00 C ATOM 0 H ALA D 72 -0.780 -10.623 4.480 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.060 -9.079 3.999 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.104 -10.744 5.491 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.023 -11.511 4.304 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.490 -11.303 5.989 1.00 0.00 H new ATOM 927 N ALA D 73 -1.772 -8.604 6.980 1.00 0.00 N ATOM 928 CA ALA D 73 -1.804 -7.723 8.119 1.00 0.00 C ATOM 929 C ALA D 73 -1.501 -6.290 7.747 1.00 0.00 C ATOM 930 O ALA D 73 -2.124 -5.402 8.296 1.00 0.00 O ATOM 931 CB ALA D 73 -0.869 -8.240 9.192 1.00 0.00 C ATOM 0 H ALA D 73 -1.036 -9.309 7.026 1.00 0.00 H new ATOM 0 HA ALA D 73 -2.819 -7.717 8.516 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -0.896 -7.571 10.052 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -1.183 -9.238 9.499 1.00 0.00 H new ATOM 0 HB3 ALA D 73 0.147 -8.285 8.799 1.00 0.00 H new ATOM 937 N ALA D 74 -0.582 -6.012 6.828 1.00 0.00 N ATOM 938 CA ALA D 74 -0.304 -4.664 6.393 1.00 0.00 C ATOM 939 C ALA D 74 -1.458 -4.047 5.630 1.00 0.00 C ATOM 940 O ALA D 74 -1.713 -2.855 5.715 1.00 0.00 O ATOM 941 CB ALA D 74 0.955 -4.709 5.553 1.00 0.00 C ATOM 0 H ALA D 74 -0.012 -6.722 6.368 1.00 0.00 H new ATOM 0 HA ALA D 74 -0.163 -4.024 7.264 1.00 0.00 H new ATOM 0 HB1 ALA D 74 1.197 -3.705 5.206 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.779 -5.093 6.153 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.796 -5.362 4.694 1.00 0.00 H new ATOM 947 N ILE D 75 -2.099 -4.867 4.804 1.00 0.00 N ATOM 948 CA ILE D 75 -2.995 -4.401 3.778 1.00 0.00 C ATOM 949 C ILE D 75 -4.445 -4.473 4.217 1.00 0.00 C ATOM 950 O ILE D 75 -5.250 -3.715 3.693 1.00 0.00 O ATOM 951 CB ILE D 75 -2.661 -5.131 2.483 1.00 0.00 C ATOM 952 CG1 ILE D 75 -1.385 -4.480 2.020 1.00 0.00 C ATOM 953 CG2 ILE D 75 -3.789 -5.089 1.476 1.00 0.00 C ATOM 954 CD1 ILE D 75 -0.767 -5.090 0.796 1.00 0.00 C ATOM 0 H ILE D 75 -2.003 -5.882 4.837 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.852 -3.337 3.588 1.00 0.00 H new ATOM 0 HB ILE D 75 -2.527 -6.204 2.624 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.584 -3.427 1.821 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -0.660 -4.520 2.833 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -3.492 -5.625 0.575 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.675 -5.559 1.903 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -4.013 -4.053 1.224 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.146 -4.552 0.543 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.530 -6.136 0.991 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.468 -5.026 -0.036 1.00 0.00 H new ATOM 966 N LYS D 76 -4.752 -5.230 5.262 1.00 0.00 N ATOM 967 CA LYS D 76 -6.041 -5.171 5.910 1.00 0.00 C ATOM 968 C LYS D 76 -6.225 -3.874 6.672 1.00 0.00 C ATOM 969 O LYS D 76 -7.348 -3.470 6.913 1.00 0.00 O ATOM 970 CB LYS D 76 -6.197 -6.402 6.789 1.00 0.00 C ATOM 971 CG LYS D 76 -6.623 -7.631 6.001 1.00 0.00 C ATOM 972 CD LYS D 76 -6.743 -8.818 6.912 1.00 0.00 C ATOM 973 CE LYS D 76 -7.157 -10.053 6.201 1.00 0.00 C ATOM 974 NZ LYS D 76 -7.302 -11.186 7.109 1.00 0.00 N ATOM 0 H LYS D 76 -4.108 -5.901 5.680 1.00 0.00 H new ATOM 0 HA LYS D 76 -6.833 -5.177 5.161 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.252 -6.607 7.292 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -6.934 -6.199 7.565 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.578 -7.443 5.509 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.896 -7.838 5.216 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -5.785 -8.991 7.403 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.467 -8.596 7.696 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -8.103 -9.876 5.689 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -6.420 -10.295 5.435 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -7.592 -12.027 6.571 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -6.393 -11.372 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.024 -10.967 7.825 1.00 0.00 H new ATOM 988 N ALA D 77 -5.147 -3.175 6.998 1.00 0.00 N ATOM 989 CA ALA D 77 -5.143 -1.750 7.214 1.00 0.00 C ATOM 990 C ALA D 77 -5.397 -0.997 5.922 1.00 0.00 C ATOM 991 O ALA D 77 -6.455 -0.405 5.744 1.00 0.00 O ATOM 992 CB ALA D 77 -3.886 -1.321 7.947 1.00 0.00 C ATOM 0 H ALA D 77 -4.229 -3.603 7.121 1.00 0.00 H new ATOM 0 HA ALA D 77 -5.974 -1.486 7.868 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -3.904 -0.242 8.099 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -3.839 -1.823 8.913 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -3.011 -1.589 7.356 1.00 0.00 H new ATOM 998 N ILE D 78 -4.468 -1.022 4.973 1.00 0.00 N ATOM 999 CA ILE D 78 -4.393 -0.051 3.907 1.00 0.00 C ATOM 1000 C ILE D 78 -5.566 -0.131 2.946 1.00 0.00 C ATOM 1001 O ILE D 78 -6.082 0.915 2.589 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.022 -0.023 3.247 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.394 1.347 3.047 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -2.943 -0.845 1.972 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -2.955 2.255 1.989 1.00 0.00 C ATOM 0 H ILE D 78 -3.737 -1.732 4.929 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.499 0.933 4.364 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.406 -0.506 4.006 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -2.448 1.876 3.998 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.337 1.196 2.826 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -1.937 -0.778 1.558 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.175 -1.886 2.196 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.661 -0.461 1.247 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.395 3.190 1.977 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -2.875 1.772 1.015 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.003 2.463 2.206 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.059 -1.308 2.574 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.239 -1.421 1.747 1.00 0.00 C ATOM 1019 C ALA D 79 -8.538 -0.970 2.382 1.00 0.00 C ATOM 1020 O ALA D 79 -9.433 -0.463 1.728 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.379 -2.874 1.332 1.00 0.00 C ATOM 0 H ALA D 79 -5.648 -2.203 2.840 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.083 -0.742 0.909 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.263 -2.990 0.705 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.495 -3.179 0.772 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.479 -3.498 2.220 1.00 0.00 H new ATOM 1027 N ALA D 80 -8.619 -1.057 3.704 1.00 0.00 N ATOM 1028 CA ALA D 80 -9.735 -0.560 4.477 1.00 0.00 C ATOM 1029 C ALA D 80 -9.644 0.931 4.715 1.00 0.00 C ATOM 1030 O ALA D 80 -10.637 1.636 4.699 1.00 0.00 O ATOM 1031 CB ALA D 80 -9.820 -1.335 5.767 1.00 0.00 C ATOM 0 H ALA D 80 -7.891 -1.486 4.275 1.00 0.00 H new ATOM 0 HA ALA D 80 -10.654 -0.711 3.910 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -10.659 -0.967 6.358 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -9.967 -2.392 5.547 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -8.896 -1.206 6.330 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.427 1.444 4.856 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.101 2.849 4.930 1.00 0.00 C ATOM 1039 C ILE D 81 -8.395 3.492 3.585 1.00 0.00 C ATOM 1040 O ILE D 81 -9.026 4.540 3.565 1.00 0.00 O ATOM 1041 CB ILE D 81 -6.695 3.064 5.466 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -6.571 2.617 6.917 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.345 4.540 5.357 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -5.155 2.325 7.377 1.00 0.00 C ATOM 0 H ILE D 81 -7.600 0.851 4.925 1.00 0.00 H new ATOM 0 HA ILE D 81 -8.732 3.358 5.658 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.006 2.463 4.873 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -6.993 3.391 7.558 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -7.176 1.721 7.059 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.338 4.704 5.739 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.392 4.849 4.313 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -7.055 5.126 5.941 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -5.169 2.014 8.422 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -4.731 1.527 6.767 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -4.546 3.223 7.273 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.054 2.893 2.445 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.469 3.272 1.115 1.00 0.00 C ATOM 1058 C ILE D 82 -9.960 3.488 0.923 1.00 0.00 C ATOM 1059 O ILE D 82 -10.371 4.529 0.431 1.00 0.00 O ATOM 1060 CB ILE D 82 -7.880 2.387 0.025 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.406 2.726 -0.129 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.580 2.515 -1.320 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.648 1.853 -1.116 1.00 0.00 C ATOM 0 H ILE D 82 -7.440 2.078 2.436 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.034 4.265 1.003 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.023 1.353 0.339 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.318 3.766 -0.444 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.926 2.647 0.847 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -8.102 1.854 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.629 2.238 -1.212 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.511 3.545 -1.670 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.606 2.171 -1.157 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.698 0.813 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -6.096 1.949 -2.105 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.741 2.524 1.404 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.181 2.577 1.433 1.00 0.00 C ATOM 1077 C LYS D 83 -12.734 3.744 2.226 1.00 0.00 C ATOM 1078 O LYS D 83 -13.766 4.286 1.880 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.675 1.204 1.847 1.00 0.00 C ATOM 1080 CG LYS D 83 -14.160 1.110 2.124 1.00 0.00 C ATOM 1081 CD LYS D 83 -15.048 1.322 0.921 1.00 0.00 C ATOM 1082 CE LYS D 83 -14.952 0.182 -0.028 1.00 0.00 C ATOM 1083 NZ LYS D 83 -15.829 0.332 -1.162 1.00 0.00 N ATOM 0 H LYS D 83 -10.366 1.660 1.795 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.575 2.797 0.441 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.423 0.492 1.061 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.134 0.896 2.742 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.374 0.128 2.546 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.420 1.847 2.883 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -16.082 1.442 1.246 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -14.764 2.245 0.415 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -13.924 0.090 -0.378 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -15.195 -0.743 0.495 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -15.724 -0.488 -1.793 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -16.814 0.393 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -15.583 1.200 -1.679 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.030 4.196 3.253 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.337 5.393 3.993 1.00 0.00 C ATOM 1099 C ALA D 84 -11.861 6.630 3.254 1.00 0.00 C ATOM 1100 O ALA D 84 -12.641 7.545 3.080 1.00 0.00 O ATOM 1101 CB ALA D 84 -11.783 5.284 5.396 1.00 0.00 C ATOM 0 H ALA D 84 -11.200 3.715 3.600 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.418 5.499 4.081 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.018 6.192 5.951 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.230 4.426 5.898 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -10.702 5.156 5.351 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.620 6.704 2.808 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.056 7.887 2.213 1.00 0.00 C ATOM 1109 C GLY D 85 -10.606 8.281 0.858 1.00 0.00 C ATOM 1110 O GLY D 85 -10.715 9.452 0.575 1.00 0.00 O ATOM 0 H GLY D 85 -9.967 5.922 2.854 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.206 8.721 2.899 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -8.980 7.743 2.117 1.00 0.00 H new ATOM 1114 N GLY D 86 -10.932 7.304 0.031 1.00 0.00 N ATOM 1115 CA GLY D 86 -11.453 7.478 -1.305 1.00 0.00 C ATOM 1116 C GLY D 86 -10.418 7.514 -2.399 1.00 0.00 C ATOM 1117 O GLY D 86 -10.689 8.049 -3.441 1.00 0.00 O ATOM 0 H GLY D 86 -10.834 6.322 0.289 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -12.151 6.667 -1.514 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.024 8.406 -1.337 1.00 0.00 H new ATOM 1121 N PHE D 87 -9.233 6.953 -2.200 1.00 0.00 N ATOM 1122 CA PHE D 87 -8.159 6.897 -3.162 1.00 0.00 C ATOM 1123 C PHE D 87 -8.467 6.174 -4.453 1.00 0.00 C ATOM 1124 O PHE D 87 -9.387 5.399 -4.559 1.00 0.00 O ATOM 1125 CB PHE D 87 -6.947 6.225 -2.532 1.00 0.00 C ATOM 1126 CG PHE D 87 -6.435 6.671 -1.188 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -7.112 6.283 -0.032 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -5.158 7.202 -1.071 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.459 6.182 1.196 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.520 7.203 0.162 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.173 6.703 1.286 1.00 0.00 C ATOM 0 H PHE D 87 -8.990 6.504 -1.317 1.00 0.00 H new ATOM 0 HA PHE D 87 -7.979 7.938 -3.430 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -7.174 5.162 -2.452 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -6.122 6.322 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -8.166 6.056 -0.089 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -4.662 7.614 -1.937 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -6.935 5.716 2.046 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.516 7.592 0.250 1.00 0.00 H new ATOM 0 HZ PHE D 87 -4.672 6.720 2.243 1.00 0.00 H new