USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=2 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+ 157:sc= -31.3! (180deg=-31.4!) 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+ 148:sc= -0.0275 (180deg=-0.506) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 2 2.256 13.277 -1.197 1.00 0.00 N ATOM 8 CA ALA A 2 1.007 12.783 -1.714 1.00 0.00 C ATOM 9 C ALA A 2 0.658 13.274 -3.102 1.00 0.00 C ATOM 10 O ALA A 2 -0.312 12.813 -3.684 1.00 0.00 O ATOM 11 CB ALA A 2 -0.087 13.083 -0.721 1.00 0.00 C ATOM 0 HA ALA A 2 1.117 11.706 -1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.038 12.712 -1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.138 12.594 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.153 14.160 -0.567 1.00 0.00 H new ATOM 17 N LYS A 3 1.491 14.107 -3.715 1.00 0.00 N ATOM 18 CA LYS A 3 1.539 14.364 -5.133 1.00 0.00 C ATOM 19 C LYS A 3 1.629 13.087 -5.943 1.00 0.00 C ATOM 20 O LYS A 3 1.098 13.026 -7.029 1.00 0.00 O ATOM 21 CB LYS A 3 2.721 15.258 -5.451 1.00 0.00 C ATOM 22 CG LYS A 3 2.567 16.678 -4.969 1.00 0.00 C ATOM 23 CD LYS A 3 3.715 17.537 -5.378 1.00 0.00 C ATOM 24 CE LYS A 3 3.530 18.953 -4.963 1.00 0.00 C ATOM 25 NZ LYS A 3 4.651 19.776 -5.315 1.00 0.00 N ATOM 0 H LYS A 3 2.186 14.647 -3.199 1.00 0.00 H new ATOM 0 HA LYS A 3 0.609 14.862 -5.409 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.618 14.829 -5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.876 15.267 -6.530 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.642 17.097 -5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.479 16.684 -3.883 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.633 17.148 -4.938 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.835 17.490 -6.460 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.629 19.351 -5.430 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.375 18.996 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.475 20.753 -5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.507 19.414 -4.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.784 19.758 -6.346 1.00 0.00 H new ATOM 39 N ALA A 4 2.319 12.090 -5.401 1.00 0.00 N ATOM 40 CA ALA A 4 2.532 10.777 -5.952 1.00 0.00 C ATOM 41 C ALA A 4 1.415 9.793 -5.685 1.00 0.00 C ATOM 42 O ALA A 4 1.523 8.656 -6.098 1.00 0.00 O ATOM 43 CB ALA A 4 3.802 10.231 -5.331 1.00 0.00 C ATOM 0 H ALA A 4 2.775 12.198 -4.495 1.00 0.00 H new ATOM 0 HA ALA A 4 2.586 10.888 -7.035 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.999 9.234 -5.724 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.637 10.888 -5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.684 10.178 -4.249 1.00 0.00 H new ATOM 49 N ALA A 5 0.388 10.146 -4.928 1.00 0.00 N ATOM 50 CA ALA A 5 -0.518 9.207 -4.313 1.00 0.00 C ATOM 51 C ALA A 5 -1.246 8.364 -5.345 1.00 0.00 C ATOM 52 O ALA A 5 -1.177 7.146 -5.267 1.00 0.00 O ATOM 53 CB ALA A 5 -1.398 9.909 -3.294 1.00 0.00 C ATOM 0 H ALA A 5 0.162 11.119 -4.723 1.00 0.00 H new ATOM 0 HA ALA A 5 0.049 8.473 -3.741 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.076 9.186 -2.839 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.773 10.357 -2.521 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.977 10.688 -3.789 1.00 0.00 H new ATOM 59 N ALA A 6 -1.893 8.952 -6.349 1.00 0.00 N ATOM 60 CA ALA A 6 -2.654 8.223 -7.327 1.00 0.00 C ATOM 61 C ALA A 6 -1.866 7.117 -8.000 1.00 0.00 C ATOM 62 O ALA A 6 -2.376 6.035 -8.187 1.00 0.00 O ATOM 63 CB ALA A 6 -3.251 9.190 -8.321 1.00 0.00 C ATOM 0 H ALA A 6 -1.895 9.961 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.461 7.707 -6.806 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.828 8.639 -9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.904 9.890 -7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.452 9.740 -8.818 1.00 0.00 H new ATOM 69 N ALA A 7 -0.580 7.330 -8.255 1.00 0.00 N ATOM 70 CA ALA A 7 0.338 6.338 -8.752 1.00 0.00 C ATOM 71 C ALA A 7 0.571 5.169 -7.821 1.00 0.00 C ATOM 72 O ALA A 7 0.672 4.048 -8.294 1.00 0.00 O ATOM 73 CB ALA A 7 1.644 7.038 -9.047 1.00 0.00 C ATOM 0 H ALA A 7 -0.140 8.239 -8.112 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.106 5.896 -9.644 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.366 6.315 -9.427 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.480 7.814 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.029 7.490 -8.133 1.00 0.00 H new ATOM 79 N ALA A 8 0.605 5.381 -6.507 1.00 0.00 N ATOM 80 CA ALA A 8 0.801 4.344 -5.519 1.00 0.00 C ATOM 81 C ALA A 8 -0.474 3.554 -5.304 1.00 0.00 C ATOM 82 O ALA A 8 -0.460 2.334 -5.315 1.00 0.00 O ATOM 83 CB ALA A 8 1.246 5.004 -4.225 1.00 0.00 C ATOM 0 H ALA A 8 0.493 6.308 -6.098 1.00 0.00 H new ATOM 0 HA ALA A 8 1.561 3.643 -5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.401 4.241 -3.462 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.178 5.543 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.479 5.702 -3.890 1.00 0.00 H new ATOM 89 N ILE A 9 -1.592 4.262 -5.194 1.00 0.00 N ATOM 90 CA ILE A 9 -2.873 3.658 -4.922 1.00 0.00 C ATOM 91 C ILE A 9 -3.342 2.838 -6.110 1.00 0.00 C ATOM 92 O ILE A 9 -3.792 1.708 -5.947 1.00 0.00 O ATOM 93 CB ILE A 9 -3.955 4.668 -4.580 1.00 0.00 C ATOM 94 CG1 ILE A 9 -3.584 5.731 -3.560 1.00 0.00 C ATOM 95 CG2 ILE A 9 -5.187 3.910 -4.113 1.00 0.00 C ATOM 96 CD1 ILE A 9 -3.109 5.281 -2.195 1.00 0.00 C ATOM 0 H ILE A 9 -1.626 5.277 -5.293 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.718 3.023 -4.050 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.132 5.232 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.801 6.352 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.455 6.371 -3.415 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.977 4.618 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.531 3.250 -4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.938 3.318 -3.233 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.883 6.154 -1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.890 4.692 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.211 4.673 -2.304 1.00 0.00 H new ATOM 108 N LYS A 10 -3.255 3.391 -7.316 1.00 0.00 N ATOM 109 CA LYS A 10 -3.847 2.807 -8.499 1.00 0.00 C ATOM 110 C LYS A 10 -3.094 1.581 -8.975 1.00 0.00 C ATOM 111 O LYS A 10 -3.701 0.698 -9.559 1.00 0.00 O ATOM 112 CB LYS A 10 -3.991 3.835 -9.606 1.00 0.00 C ATOM 113 CG LYS A 10 -5.087 4.841 -9.331 1.00 0.00 C ATOM 114 CD LYS A 10 -5.561 5.549 -10.580 1.00 0.00 C ATOM 115 CE LYS A 10 -4.462 6.386 -11.173 1.00 0.00 C ATOM 116 NZ LYS A 10 -4.877 7.108 -12.329 1.00 0.00 N ATOM 0 H LYS A 10 -2.764 4.267 -7.494 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.846 2.472 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.045 4.361 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.200 3.324 -10.546 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.931 4.333 -8.865 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.725 5.579 -8.616 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.900 4.816 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.417 6.181 -10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.102 7.089 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.623 5.742 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.079 7.667 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.195 6.440 -13.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.660 7.745 -12.078 1.00 0.00 H new ATOM 130 N ALA A 11 -1.815 1.472 -8.629 1.00 0.00 N ATOM 131 CA ALA A 11 -1.144 0.197 -8.573 1.00 0.00 C ATOM 132 C ALA A 11 -1.758 -0.783 -7.593 1.00 0.00 C ATOM 133 O ALA A 11 -2.442 -1.734 -7.953 1.00 0.00 O ATOM 134 CB ALA A 11 0.341 0.430 -8.358 1.00 0.00 C ATOM 0 H ALA A 11 -1.225 2.267 -8.382 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.282 -0.303 -9.531 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.857 -0.529 -8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.740 1.020 -9.183 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.493 0.967 -7.422 1.00 0.00 H new ATOM 140 N ILE A 12 -1.625 -0.488 -6.303 1.00 0.00 N ATOM 141 CA ILE A 12 -1.970 -1.383 -5.228 1.00 0.00 C ATOM 142 C ILE A 12 -3.430 -1.800 -5.240 1.00 0.00 C ATOM 143 O ILE A 12 -3.684 -2.995 -5.344 1.00 0.00 O ATOM 144 CB ILE A 12 -1.406 -0.878 -3.910 1.00 0.00 C ATOM 145 CG1 ILE A 12 -1.151 -2.082 -3.059 1.00 0.00 C ATOM 146 CG2 ILE A 12 -2.288 0.135 -3.210 1.00 0.00 C ATOM 147 CD1 ILE A 12 -0.698 -2.066 -1.719 1.00 0.00 C ATOM 0 H ILE A 12 -1.263 0.409 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.475 -2.341 -5.388 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.485 -0.327 -4.103 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.087 -2.640 -3.048 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.428 -2.684 -3.608 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.816 0.446 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.426 1.003 -3.854 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.257 -0.314 -2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.603 -3.089 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.272 -1.571 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.414 -1.526 -1.099 1.00 0.00 H new ATOM 159 N ALA A 13 -4.419 -0.910 -5.265 1.00 0.00 N ATOM 160 CA ALA A 13 -5.823 -1.241 -5.225 1.00 0.00 C ATOM 161 C ALA A 13 -6.382 -1.853 -6.495 1.00 0.00 C ATOM 162 O ALA A 13 -7.582 -2.009 -6.631 1.00 0.00 O ATOM 163 CB ALA A 13 -6.546 0.004 -4.736 1.00 0.00 C ATOM 0 H ALA A 13 -4.249 0.094 -5.316 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.988 -2.065 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.617 -0.193 -4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.180 0.271 -3.744 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.360 0.827 -5.425 1.00 0.00 H new ATOM 169 N ALA A 14 -5.528 -2.211 -7.443 1.00 0.00 N ATOM 170 CA ALA A 14 -5.781 -3.106 -8.546 1.00 0.00 C ATOM 171 C ALA A 14 -5.120 -4.451 -8.317 1.00 0.00 C ATOM 172 O ALA A 14 -5.703 -5.502 -8.518 1.00 0.00 O ATOM 173 CB ALA A 14 -5.329 -2.446 -9.836 1.00 0.00 C ATOM 0 H ALA A 14 -4.573 -1.854 -7.456 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.850 -3.304 -8.623 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.517 -3.117 -10.674 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.882 -1.518 -9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.263 -2.228 -9.779 1.00 0.00 H new ATOM 179 N ILE A 15 -3.900 -4.439 -7.791 1.00 0.00 N ATOM 180 CA ILE A 15 -3.100 -5.576 -7.400 1.00 0.00 C ATOM 181 C ILE A 15 -3.741 -6.336 -6.256 1.00 0.00 C ATOM 182 O ILE A 15 -3.802 -7.549 -6.306 1.00 0.00 O ATOM 183 CB ILE A 15 -1.668 -5.151 -7.124 1.00 0.00 C ATOM 184 CG1 ILE A 15 -0.992 -4.505 -8.319 1.00 0.00 C ATOM 185 CG2 ILE A 15 -0.832 -6.354 -6.726 1.00 0.00 C ATOM 186 CD1 ILE A 15 0.195 -3.617 -7.989 1.00 0.00 C ATOM 0 H ILE A 15 -3.413 -3.560 -7.616 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.057 -6.281 -8.230 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.729 -4.417 -6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.660 -5.291 -8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.731 -3.911 -8.857 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.192 -6.037 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.250 -6.806 -5.826 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.838 -7.085 -7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.607 -3.204 -8.910 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.128 -2.804 -7.339 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.959 -4.205 -7.481 1.00 0.00 H new ATOM 198 N ILE A 16 -4.291 -5.660 -5.252 1.00 0.00 N ATOM 199 CA ILE A 16 -5.102 -6.140 -4.157 1.00 0.00 C ATOM 200 C ILE A 16 -6.089 -7.194 -4.624 1.00 0.00 C ATOM 201 O ILE A 16 -6.073 -8.343 -4.235 1.00 0.00 O ATOM 202 CB ILE A 16 -5.824 -4.965 -3.517 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.843 -4.027 -2.823 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.851 -5.431 -2.499 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.470 -4.249 -1.379 1.00 0.00 C ATOM 0 H ILE A 16 -4.159 -4.651 -5.187 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.455 -6.611 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.330 -4.434 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.919 -4.042 -3.401 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.251 -3.019 -2.900 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.348 -4.565 -2.061 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.590 -6.063 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.353 -5.999 -1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.763 -3.482 -1.064 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -5.365 -4.194 -0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.012 -5.232 -1.268 1.00 0.00 H new ATOM 217 N LYS A 17 -6.928 -6.726 -5.542 1.00 0.00 N ATOM 218 CA LYS A 17 -8.085 -7.375 -6.108 1.00 0.00 C ATOM 219 C LYS A 17 -7.756 -8.585 -6.959 1.00 0.00 C ATOM 220 O LYS A 17 -8.445 -9.597 -6.963 1.00 0.00 O ATOM 221 CB LYS A 17 -8.697 -6.264 -6.943 1.00 0.00 C ATOM 222 CG LYS A 17 -9.206 -5.087 -6.141 1.00 0.00 C ATOM 223 CD LYS A 17 -10.138 -4.236 -6.959 1.00 0.00 C ATOM 224 CE LYS A 17 -10.744 -3.131 -6.170 1.00 0.00 C ATOM 225 NZ LYS A 17 -11.774 -2.446 -6.907 1.00 0.00 N ATOM 0 H LYS A 17 -6.795 -5.796 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.743 -7.784 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.952 -5.908 -7.654 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.522 -6.676 -7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.723 -5.446 -5.251 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.364 -4.485 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.593 -3.817 -7.805 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.931 -4.862 -7.369 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.164 -3.532 -5.247 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.968 -2.421 -5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.171 -1.683 -6.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.369 -2.041 -7.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.527 -3.118 -7.157 1.00 0.00 H new ATOM 239 N ALA A 18 -6.675 -8.451 -7.721 1.00 0.00 N ATOM 240 CA ALA A 18 -6.052 -9.473 -8.523 1.00 0.00 C ATOM 241 C ALA A 18 -5.364 -10.513 -7.680 1.00 0.00 C ATOM 242 O ALA A 18 -5.253 -11.644 -8.074 1.00 0.00 O ATOM 243 CB ALA A 18 -5.094 -8.788 -9.456 1.00 0.00 C ATOM 0 H ALA A 18 -6.185 -7.559 -7.792 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.809 -10.015 -9.090 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.601 -9.532 -10.082 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.640 -8.087 -10.087 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.345 -8.248 -8.877 1.00 0.00 H new ATOM 249 N GLY A 19 -4.816 -10.140 -6.532 1.00 0.00 N ATOM 250 CA GLY A 19 -4.177 -11.020 -5.606 1.00 0.00 C ATOM 251 C GLY A 19 -5.151 -11.868 -4.843 1.00 0.00 C ATOM 252 O GLY A 19 -5.147 -13.059 -4.968 1.00 0.00 O ATOM 0 H GLY A 19 -4.813 -9.169 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.484 -11.666 -6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.585 -10.433 -4.904 1.00 0.00 H new ATOM 256 N GLY A 20 -6.022 -11.225 -4.092 1.00 0.00 N ATOM 257 CA GLY A 20 -6.946 -11.839 -3.182 1.00 0.00 C ATOM 258 C GLY A 20 -6.819 -11.408 -1.744 1.00 0.00 C ATOM 259 O GLY A 20 -7.542 -11.888 -0.896 1.00 0.00 O ATOM 0 H GLY A 20 -6.102 -10.208 -4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.960 -11.624 -3.520 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.816 -12.920 -3.233 1.00 0.00 H new ATOM 263 N PHE A 21 -5.932 -10.480 -1.467 1.00 0.00 N ATOM 264 CA PHE A 21 -5.592 -10.025 -0.160 1.00 0.00 C ATOM 265 C PHE A 21 -6.348 -8.834 0.320 1.00 0.00 C ATOM 266 O PHE A 21 -6.273 -8.493 1.474 1.00 0.00 O ATOM 267 CB PHE A 21 -4.095 -10.009 0.029 1.00 0.00 C ATOM 268 CG PHE A 21 -3.123 -9.284 -0.858 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.507 -8.622 -2.025 1.00 0.00 C ATOM 270 CD2 PHE A 21 -1.782 -9.299 -0.513 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.559 -8.032 -2.864 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.824 -8.677 -1.314 1.00 0.00 C ATOM 273 CZ PHE A 21 -1.215 -8.060 -2.494 1.00 0.00 C ATOM 0 H PHE A 21 -5.404 -10.002 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.963 -10.765 0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.924 -9.627 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.782 -11.053 0.027 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.554 -8.565 -2.284 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.472 -9.801 0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.863 -7.560 -3.787 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.215 -8.676 -1.018 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.474 -7.599 -3.130 1.00 0.00 H new ATOM 293 N ALA B 24 -1.683 -13.541 -0.978 1.00 0.00 N ATOM 294 CA ALA B 24 -0.312 -13.100 -0.921 1.00 0.00 C ATOM 295 C ALA B 24 0.568 -13.565 -2.065 1.00 0.00 C ATOM 296 O ALA B 24 1.735 -13.201 -2.115 1.00 0.00 O ATOM 297 CB ALA B 24 0.276 -13.447 0.430 1.00 0.00 C ATOM 0 HA ALA B 24 -0.335 -12.018 -1.048 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.313 -13.113 0.472 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -0.297 -12.952 1.214 1.00 0.00 H new ATOM 0 HB3 ALA B 24 0.236 -14.526 0.578 1.00 0.00 H new ATOM 303 N LYS B 25 0.018 -14.246 -3.056 1.00 0.00 N ATOM 304 CA LYS B 25 0.584 -14.401 -4.371 1.00 0.00 C ATOM 305 C LYS B 25 0.981 -13.093 -5.021 1.00 0.00 C ATOM 306 O LYS B 25 1.941 -13.040 -5.757 1.00 0.00 O ATOM 307 CB LYS B 25 -0.371 -15.133 -5.289 1.00 0.00 C ATOM 308 CG LYS B 25 -0.751 -16.540 -4.884 1.00 0.00 C ATOM 309 CD LYS B 25 0.378 -17.536 -4.964 1.00 0.00 C ATOM 310 CE LYS B 25 -0.138 -18.935 -4.722 1.00 0.00 C ATOM 311 NZ LYS B 25 0.916 -19.916 -4.779 1.00 0.00 N ATOM 0 H LYS B 25 -0.877 -14.725 -2.953 1.00 0.00 H new ATOM 0 HA LYS B 25 1.493 -14.984 -4.224 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -1.284 -14.543 -5.372 1.00 0.00 H new ATOM 0 HB3 LYS B 25 0.074 -15.173 -6.283 1.00 0.00 H new ATOM 0 HG2 LYS B 25 -1.131 -16.521 -3.863 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -1.567 -16.881 -5.522 1.00 0.00 H new ATOM 0 HD2 LYS B 25 0.852 -17.481 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS B 25 1.142 -17.290 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -0.622 -18.979 -3.746 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -0.898 -19.175 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 0.519 -20.862 -4.608 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 1.362 -19.892 -5.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 1.629 -19.703 -4.052 1.00 0.00 H new ATOM 325 N ALA B 26 0.294 -12.012 -4.717 1.00 0.00 N ATOM 326 CA ALA B 26 0.530 -10.658 -5.168 1.00 0.00 C ATOM 327 C ALA B 26 1.462 -9.815 -4.321 1.00 0.00 C ATOM 328 O ALA B 26 1.649 -8.635 -4.574 1.00 0.00 O ATOM 329 CB ALA B 26 -0.843 -10.021 -5.251 1.00 0.00 C ATOM 0 H ALA B 26 -0.513 -12.064 -4.095 1.00 0.00 H new ATOM 0 HA ALA B 26 1.059 -10.705 -6.120 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.745 -8.989 -5.588 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.460 -10.576 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.313 -10.039 -4.267 1.00 0.00 H new ATOM 335 N ALA B 27 1.993 -10.391 -3.253 1.00 0.00 N ATOM 336 CA ALA B 27 2.702 -9.658 -2.230 1.00 0.00 C ATOM 337 C ALA B 27 4.169 -9.389 -2.509 1.00 0.00 C ATOM 338 O ALA B 27 4.809 -8.778 -1.679 1.00 0.00 O ATOM 339 CB ALA B 27 2.499 -10.329 -0.886 1.00 0.00 C ATOM 0 H ALA B 27 1.940 -11.394 -3.076 1.00 0.00 H new ATOM 0 HA ALA B 27 2.261 -8.661 -2.223 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.035 -9.773 -0.117 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.436 -10.348 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.879 -11.350 -0.928 1.00 0.00 H new ATOM 345 N ALA B 28 4.733 -9.734 -3.653 1.00 0.00 N ATOM 346 CA ALA B 28 5.845 -8.989 -4.188 1.00 0.00 C ATOM 347 C ALA B 28 5.317 -7.797 -4.950 1.00 0.00 C ATOM 348 O ALA B 28 5.677 -6.674 -4.638 1.00 0.00 O ATOM 349 CB ALA B 28 6.712 -9.896 -5.041 1.00 0.00 C ATOM 0 H ALA B 28 4.436 -10.525 -4.224 1.00 0.00 H new ATOM 0 HA ALA B 28 6.479 -8.614 -3.385 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.550 -9.326 -5.442 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.090 -10.717 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.120 -10.297 -5.863 1.00 0.00 H new ATOM 355 N ALA B 29 4.420 -8.003 -5.911 1.00 0.00 N ATOM 356 CA ALA B 29 3.947 -7.026 -6.862 1.00 0.00 C ATOM 357 C ALA B 29 3.332 -5.794 -6.228 1.00 0.00 C ATOM 358 O ALA B 29 3.598 -4.695 -6.674 1.00 0.00 O ATOM 359 CB ALA B 29 2.954 -7.693 -7.794 1.00 0.00 C ATOM 0 H ALA B 29 3.983 -8.915 -6.047 1.00 0.00 H new ATOM 0 HA ALA B 29 4.817 -6.665 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA B 29 2.589 -6.965 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA B 29 3.443 -8.513 -8.319 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.116 -8.081 -7.215 1.00 0.00 H new ATOM 365 N ALA B 30 2.545 -5.936 -5.168 1.00 0.00 N ATOM 366 CA ALA B 30 1.908 -4.821 -4.506 1.00 0.00 C ATOM 367 C ALA B 30 2.906 -3.931 -3.798 1.00 0.00 C ATOM 368 O ALA B 30 2.786 -2.722 -3.769 1.00 0.00 O ATOM 369 CB ALA B 30 0.884 -5.326 -3.512 1.00 0.00 C ATOM 0 H ALA B 30 2.334 -6.840 -4.745 1.00 0.00 H new ATOM 0 HA ALA B 30 1.418 -4.224 -5.275 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.409 -4.479 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.128 -5.912 -4.034 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.377 -5.951 -2.767 1.00 0.00 H new ATOM 375 N ILE B 31 3.905 -4.571 -3.213 1.00 0.00 N ATOM 376 CA ILE B 31 4.915 -3.966 -2.375 1.00 0.00 C ATOM 377 C ILE B 31 6.011 -3.344 -3.218 1.00 0.00 C ATOM 378 O ILE B 31 6.482 -2.252 -2.931 1.00 0.00 O ATOM 379 CB ILE B 31 5.497 -5.023 -1.453 1.00 0.00 C ATOM 380 CG1 ILE B 31 4.467 -5.899 -0.760 1.00 0.00 C ATOM 381 CG2 ILE B 31 6.413 -4.361 -0.437 1.00 0.00 C ATOM 382 CD1 ILE B 31 3.504 -5.203 0.184 1.00 0.00 C ATOM 0 H ILE B 31 4.036 -5.577 -3.318 1.00 0.00 H new ATOM 0 HA ILE B 31 4.458 -3.175 -1.781 1.00 0.00 H new ATOM 0 HB ILE B 31 6.061 -5.705 -2.089 1.00 0.00 H new ATOM 0 HG12 ILE B 31 3.883 -6.409 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.997 -6.668 -0.199 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.831 -5.120 0.225 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.222 -3.847 -0.957 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.844 -3.640 0.151 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.821 -5.936 0.613 1.00 0.00 H new ATOM 0 HD12 ILE B 31 4.065 -4.718 0.983 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.933 -4.454 -0.365 1.00 0.00 H new ATOM 394 N LYS B 32 6.412 -4.014 -4.295 1.00 0.00 N ATOM 395 CA LYS B 32 7.452 -3.576 -5.196 1.00 0.00 C ATOM 396 C LYS B 32 7.013 -2.516 -6.189 1.00 0.00 C ATOM 397 O LYS B 32 7.832 -1.787 -6.734 1.00 0.00 O ATOM 398 CB LYS B 32 8.022 -4.777 -5.931 1.00 0.00 C ATOM 399 CG LYS B 32 8.817 -5.690 -5.022 1.00 0.00 C ATOM 400 CD LYS B 32 9.516 -6.774 -5.810 1.00 0.00 C ATOM 401 CE LYS B 32 10.353 -7.674 -4.971 1.00 0.00 C ATOM 402 NZ LYS B 32 11.249 -7.972 -5.093 1.00 0.00 N ATOM 0 H LYS B 32 6.002 -4.908 -4.566 1.00 0.00 H new ATOM 0 HA LYS B 32 8.214 -3.101 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS B 32 7.207 -5.341 -6.385 1.00 0.00 H new ATOM 0 HB3 LYS B 32 8.662 -4.432 -6.743 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.553 -5.106 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.153 -6.143 -4.286 1.00 0.00 H new ATOM 0 HD2 LYS B 32 8.769 -7.370 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS B 32 10.145 -6.311 -6.570 1.00 0.00 H new ATOM 0 HE2 LYS B 32 10.353 -7.207 -3.986 1.00 0.00 H new ATOM 0 HE3 LYS B 32 9.769 -8.591 -4.889 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 11.649 -8.254 -4.175 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 11.259 -8.786 -5.740 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 11.819 -7.202 -5.497 1.00 0.00 H new ATOM 416 N ALA B 33 5.703 -2.386 -6.393 1.00 0.00 N ATOM 417 CA ALA B 33 5.107 -1.098 -6.662 1.00 0.00 C ATOM 418 C ALA B 33 5.339 -0.135 -5.516 1.00 0.00 C ATOM 419 O ALA B 33 6.115 0.801 -5.603 1.00 0.00 O ATOM 420 CB ALA B 33 3.649 -1.285 -7.045 1.00 0.00 C ATOM 0 H ALA B 33 5.042 -3.163 -6.375 1.00 0.00 H new ATOM 0 HA ALA B 33 5.595 -0.629 -7.517 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.199 -0.313 -7.248 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.584 -1.909 -7.937 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.117 -1.767 -6.225 1.00 0.00 H new ATOM 426 N ILE B 34 4.589 -0.298 -4.430 1.00 0.00 N ATOM 427 CA ILE B 34 4.278 0.798 -3.537 1.00 0.00 C ATOM 428 C ILE B 34 5.484 1.325 -2.777 1.00 0.00 C ATOM 429 O ILE B 34 5.650 2.533 -2.724 1.00 0.00 O ATOM 430 CB ILE B 34 3.052 0.431 -2.710 1.00 0.00 C ATOM 431 CG1 ILE B 34 2.290 1.722 -2.465 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.418 -0.279 -1.417 1.00 0.00 C ATOM 433 CD1 ILE B 34 1.187 1.729 -1.443 1.00 0.00 C ATOM 0 H ILE B 34 4.184 -1.192 -4.151 1.00 0.00 H new ATOM 0 HA ILE B 34 4.002 1.680 -4.114 1.00 0.00 H new ATOM 0 HB ILE B 34 2.429 -0.284 -3.248 1.00 0.00 H new ATOM 0 HG12 ILE B 34 3.014 2.483 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE B 34 1.861 2.038 -3.416 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.510 -0.519 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.957 -1.198 -1.647 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.050 0.371 -0.812 1.00 0.00 H new ATOM 0 HD11 ILE B 34 0.746 2.724 -1.390 1.00 0.00 H new ATOM 0 HD12 ILE B 34 0.421 1.008 -1.729 1.00 0.00 H new ATOM 0 HD13 ILE B 34 1.593 1.460 -0.468 1.00 0.00 H new ATOM 445 N ALA B 35 6.404 0.487 -2.302 1.00 0.00 N ATOM 446 CA ALA B 35 7.571 0.972 -1.602 1.00 0.00 C ATOM 447 C ALA B 35 8.567 1.711 -2.477 1.00 0.00 C ATOM 448 O ALA B 35 9.246 2.608 -2.025 1.00 0.00 O ATOM 449 CB ALA B 35 8.251 -0.194 -0.906 1.00 0.00 C ATOM 0 H ALA B 35 6.356 -0.528 -2.394 1.00 0.00 H new ATOM 0 HA ALA B 35 7.217 1.709 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA B 35 9.133 0.164 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.559 -0.648 -0.196 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.549 -0.936 -1.647 1.00 0.00 H new ATOM 455 N ALA B 36 8.603 1.413 -3.767 1.00 0.00 N ATOM 456 CA ALA B 36 9.419 2.057 -4.767 1.00 0.00 C ATOM 457 C ALA B 36 8.797 3.339 -5.279 1.00 0.00 C ATOM 458 O ALA B 36 9.489 4.320 -5.518 1.00 0.00 O ATOM 459 CB ALA B 36 9.636 1.099 -5.927 1.00 0.00 C ATOM 0 H ALA B 36 8.026 0.669 -4.160 1.00 0.00 H new ATOM 0 HA ALA B 36 10.369 2.319 -4.302 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.252 1.581 -6.686 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.138 0.201 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.673 0.828 -6.360 1.00 0.00 H new ATOM 465 N ILE B 37 7.473 3.381 -5.359 1.00 0.00 N ATOM 466 CA ILE B 37 6.673 4.539 -5.691 1.00 0.00 C ATOM 467 C ILE B 37 6.733 5.532 -4.543 1.00 0.00 C ATOM 468 O ILE B 37 6.904 6.722 -4.753 1.00 0.00 O ATOM 469 CB ILE B 37 5.269 4.106 -6.090 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.253 3.267 -7.357 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.364 5.318 -6.262 1.00 0.00 C ATOM 472 CD1 ILE B 37 3.973 2.478 -7.575 1.00 0.00 C ATOM 0 H ILE B 37 6.901 2.555 -5.182 1.00 0.00 H new ATOM 0 HA ILE B 37 7.070 5.059 -6.563 1.00 0.00 H new ATOM 0 HB ILE B 37 4.894 3.481 -5.280 1.00 0.00 H new ATOM 0 HG12 ILE B 37 5.411 3.922 -8.213 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.092 2.572 -7.328 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.365 4.989 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.310 5.868 -5.323 1.00 0.00 H new ATOM 0 HG23 ILE B 37 4.768 5.966 -7.040 1.00 0.00 H new ATOM 0 HD11 ILE B 37 4.050 1.909 -8.502 1.00 0.00 H new ATOM 0 HD12 ILE B 37 3.821 1.794 -6.740 1.00 0.00 H new ATOM 0 HD13 ILE B 37 3.129 3.165 -7.640 1.00 0.00 H new ATOM 484 N ILE B 38 6.708 5.072 -3.298 1.00 0.00 N ATOM 485 CA ILE B 38 6.994 5.865 -2.121 1.00 0.00 C ATOM 486 C ILE B 38 8.352 6.538 -2.112 1.00 0.00 C ATOM 487 O ILE B 38 8.431 7.730 -1.849 1.00 0.00 O ATOM 488 CB ILE B 38 6.731 5.054 -0.860 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.219 4.965 -0.733 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.293 5.701 0.394 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.731 4.247 0.512 1.00 0.00 C ATOM 0 H ILE B 38 6.480 4.102 -3.079 1.00 0.00 H new ATOM 0 HA ILE B 38 6.300 6.705 -2.149 1.00 0.00 H new ATOM 0 HB ILE B 38 7.219 4.083 -0.947 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.807 5.974 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.823 4.453 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE B 38 7.072 5.074 1.257 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.373 5.813 0.293 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.838 6.682 0.532 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.641 4.231 0.519 1.00 0.00 H new ATOM 0 HD12 ILE B 38 5.109 3.225 0.514 1.00 0.00 H new ATOM 0 HD13 ILE B 38 5.092 4.769 1.398 1.00 0.00 H new ATOM 503 N LYS B 39 9.387 5.785 -2.468 1.00 0.00 N ATOM 504 CA LYS B 39 10.730 6.286 -2.616 1.00 0.00 C ATOM 505 C LYS B 39 10.844 7.342 -3.699 1.00 0.00 C ATOM 506 O LYS B 39 11.721 8.186 -3.595 1.00 0.00 O ATOM 507 CB LYS B 39 11.559 5.035 -2.830 1.00 0.00 C ATOM 508 CG LYS B 39 12.986 5.218 -3.276 1.00 0.00 C ATOM 509 CD LYS B 39 13.895 5.850 -2.292 1.00 0.00 C ATOM 510 CE LYS B 39 14.537 6.892 -2.787 1.00 0.00 C ATOM 511 NZ LYS B 39 15.493 7.534 -1.964 1.00 0.00 N ATOM 0 H LYS B 39 9.303 4.788 -2.664 1.00 0.00 H new ATOM 0 HA LYS B 39 11.088 6.837 -1.746 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.567 4.472 -1.896 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.051 4.417 -3.570 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.391 4.242 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS B 39 12.988 5.822 -4.184 1.00 0.00 H new ATOM 0 HD2 LYS B 39 13.320 6.163 -1.421 1.00 0.00 H new ATOM 0 HD3 LYS B 39 14.620 5.112 -1.947 1.00 0.00 H new ATOM 0 HE2 LYS B 39 15.042 6.571 -3.698 1.00 0.00 H new ATOM 0 HE3 LYS B 39 13.794 7.635 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 15.916 8.331 -2.480 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 15.029 7.886 -1.103 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 16.238 6.856 -1.703 1.00 0.00 H new ATOM 525 N ALA B 40 9.971 7.351 -4.698 1.00 0.00 N ATOM 526 CA ALA B 40 9.872 8.409 -5.677 1.00 0.00 C ATOM 527 C ALA B 40 9.051 9.590 -5.188 1.00 0.00 C ATOM 528 O ALA B 40 9.502 10.723 -5.239 1.00 0.00 O ATOM 529 CB ALA B 40 9.346 7.827 -6.979 1.00 0.00 C ATOM 0 H ALA B 40 9.297 6.600 -4.848 1.00 0.00 H new ATOM 0 HA ALA B 40 10.867 8.820 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.267 8.617 -7.725 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.030 7.057 -7.336 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.363 7.388 -6.810 1.00 0.00 H new ATOM 535 N GLY B 41 7.866 9.338 -4.649 1.00 0.00 N ATOM 536 CA GLY B 41 6.973 10.341 -4.146 1.00 0.00 C ATOM 537 C GLY B 41 7.476 11.196 -3.006 1.00 0.00 C ATOM 538 O GLY B 41 7.324 12.401 -3.033 1.00 0.00 O ATOM 0 H GLY B 41 7.499 8.391 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.704 11.000 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.057 9.847 -3.821 1.00 0.00 H new ATOM 542 N GLY B 42 8.111 10.585 -2.015 1.00 0.00 N ATOM 543 CA GLY B 42 8.527 11.179 -0.771 1.00 0.00 C ATOM 544 C GLY B 42 7.408 11.399 0.222 1.00 0.00 C ATOM 545 O GLY B 42 7.315 12.448 0.812 1.00 0.00 O ATOM 0 H GLY B 42 8.361 9.598 -2.072 1.00 0.00 H new ATOM 0 HA2 GLY B 42 9.283 10.541 -0.313 1.00 0.00 H new ATOM 0 HA3 GLY B 42 9.003 12.137 -0.981 1.00 0.00 H new ATOM 549 N PHE B 43 6.522 10.427 0.338 1.00 0.00 N ATOM 550 CA PHE B 43 5.323 10.461 1.138 1.00 0.00 C ATOM 551 C PHE B 43 5.539 10.742 2.609 1.00 0.00 C ATOM 552 O PHE B 43 4.752 11.377 3.258 1.00 0.00 O ATOM 553 CB PHE B 43 4.540 9.173 0.969 1.00 0.00 C ATOM 554 CG PHE B 43 3.915 8.962 -0.382 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.674 8.423 -1.421 1.00 0.00 C ATOM 556 CD2 PHE B 43 2.554 9.172 -0.594 1.00 0.00 C ATOM 557 CE1 PHE B 43 4.104 7.897 -2.581 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.966 8.694 -1.768 1.00 0.00 C ATOM 559 CZ PHE B 43 2.722 8.016 -2.725 1.00 0.00 C ATOM 0 H PHE B 43 6.632 9.541 -0.156 1.00 0.00 H new ATOM 0 HA PHE B 43 4.756 11.311 0.759 1.00 0.00 H new ATOM 0 HB2 PHE B 43 5.206 8.335 1.176 1.00 0.00 H new ATOM 0 HB3 PHE B 43 3.752 9.147 1.722 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.750 8.412 -1.323 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.961 9.698 0.140 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.709 7.417 -3.337 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.911 8.852 -1.937 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.233 7.580 -3.584 1.00 0.00 H new ATOM 579 N ALA C 46 -7.181 12.295 -0.439 1.00 0.00 N ATOM 580 CA ALA C 46 -6.451 13.518 -0.291 1.00 0.00 C ATOM 581 C ALA C 46 -5.899 13.717 1.099 1.00 0.00 C ATOM 582 O ALA C 46 -4.803 14.134 1.268 1.00 0.00 O ATOM 583 CB ALA C 46 -7.415 14.633 -0.620 1.00 0.00 C ATOM 0 HA ALA C 46 -5.586 13.500 -0.954 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -6.908 15.593 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -7.774 14.514 -1.642 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -8.260 14.598 0.067 1.00 0.00 H new ATOM 589 N LYS C 47 -6.641 13.436 2.136 1.00 0.00 N ATOM 590 CA LYS C 47 -6.289 13.535 3.525 1.00 0.00 C ATOM 591 C LYS C 47 -6.114 12.202 4.208 1.00 0.00 C ATOM 592 O LYS C 47 -5.575 12.157 5.290 1.00 0.00 O ATOM 593 CB LYS C 47 -7.347 14.322 4.233 1.00 0.00 C ATOM 594 CG LYS C 47 -7.777 15.585 3.527 1.00 0.00 C ATOM 595 CD LYS C 47 -8.695 16.405 4.341 1.00 0.00 C ATOM 596 CE LYS C 47 -9.066 17.659 3.669 1.00 0.00 C ATOM 597 NZ LYS C 47 -9.603 18.528 4.246 1.00 0.00 N ATOM 0 H LYS C 47 -7.597 13.101 2.017 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.319 14.030 3.573 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.221 13.685 4.373 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -6.981 14.584 5.226 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -6.895 16.174 3.275 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -8.265 15.324 2.588 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -9.596 15.831 4.558 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -8.224 16.633 5.297 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -8.151 18.076 3.249 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -9.709 17.391 2.830 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -9.777 19.321 3.596 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -10.509 18.185 4.625 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -9.000 18.849 5.030 1.00 0.00 H new ATOM 611 N ALA C 48 -6.551 11.109 3.608 1.00 0.00 N ATOM 612 CA ALA C 48 -6.352 9.761 4.078 1.00 0.00 C ATOM 613 C ALA C 48 -5.005 9.157 3.748 1.00 0.00 C ATOM 614 O ALA C 48 -4.675 8.074 4.218 1.00 0.00 O ATOM 615 CB ALA C 48 -7.461 8.960 3.428 1.00 0.00 C ATOM 0 H ALA C 48 -7.080 11.146 2.737 1.00 0.00 H new ATOM 0 HA ALA C 48 -6.375 9.753 5.168 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.384 7.917 3.734 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.427 9.358 3.738 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.372 9.028 2.344 1.00 0.00 H new ATOM 621 N ALA C 49 -4.226 9.834 2.918 1.00 0.00 N ATOM 622 CA ALA C 49 -3.054 9.305 2.270 1.00 0.00 C ATOM 623 C ALA C 49 -2.036 8.717 3.223 1.00 0.00 C ATOM 624 O ALA C 49 -1.807 7.520 3.153 1.00 0.00 O ATOM 625 CB ALA C 49 -2.498 10.368 1.337 1.00 0.00 C ATOM 0 H ALA C 49 -4.408 10.807 2.673 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.341 8.438 1.675 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.609 9.984 0.837 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.250 10.627 0.592 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -2.236 11.256 1.912 1.00 0.00 H new ATOM 631 N ALA C 50 -1.497 9.513 4.143 1.00 0.00 N ATOM 632 CA ALA C 50 -0.505 9.099 5.101 1.00 0.00 C ATOM 633 C ALA C 50 -0.929 7.955 6.004 1.00 0.00 C ATOM 634 O ALA C 50 -0.146 7.090 6.304 1.00 0.00 O ATOM 635 CB ALA C 50 -0.037 10.288 5.904 1.00 0.00 C ATOM 0 H ALA C 50 -1.755 10.495 4.236 1.00 0.00 H new ATOM 0 HA ALA C 50 0.324 8.694 4.520 1.00 0.00 H new ATOM 0 HB1 ALA C 50 0.713 9.967 6.626 1.00 0.00 H new ATOM 0 HB2 ALA C 50 0.398 11.030 5.235 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -0.884 10.727 6.431 1.00 0.00 H new ATOM 641 N ALA C 51 -2.200 7.882 6.350 1.00 0.00 N ATOM 642 CA ALA C 51 -2.785 6.814 7.132 1.00 0.00 C ATOM 643 C ALA C 51 -2.885 5.520 6.354 1.00 0.00 C ATOM 644 O ALA C 51 -2.810 4.467 6.958 1.00 0.00 O ATOM 645 CB ALA C 51 -4.145 7.228 7.662 1.00 0.00 C ATOM 0 H ALA C 51 -2.879 8.595 6.082 1.00 0.00 H new ATOM 0 HA ALA C 51 -2.118 6.628 7.974 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -4.571 6.413 8.248 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -4.036 8.110 8.293 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.806 7.458 6.827 1.00 0.00 H new ATOM 651 N ALA C 52 -3.012 5.551 5.031 1.00 0.00 N ATOM 652 CA ALA C 52 -2.741 4.420 4.177 1.00 0.00 C ATOM 653 C ALA C 52 -1.257 4.169 4.021 1.00 0.00 C ATOM 654 O ALA C 52 -0.700 3.304 4.663 1.00 0.00 O ATOM 655 CB ALA C 52 -3.446 4.649 2.848 1.00 0.00 C ATOM 0 H ALA C 52 -3.312 6.382 4.522 1.00 0.00 H new ATOM 0 HA ALA C 52 -3.131 3.510 4.632 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -3.255 3.805 2.185 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.519 4.743 3.017 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -3.070 5.563 2.389 1.00 0.00 H new ATOM 661 N ILE C 53 -0.594 4.895 3.125 1.00 0.00 N ATOM 662 CA ILE C 53 0.639 4.438 2.524 1.00 0.00 C ATOM 663 C ILE C 53 1.852 4.520 3.430 1.00 0.00 C ATOM 664 O ILE C 53 2.825 3.797 3.254 1.00 0.00 O ATOM 665 CB ILE C 53 0.904 5.080 1.170 1.00 0.00 C ATOM 666 CG1 ILE C 53 1.673 6.386 1.199 1.00 0.00 C ATOM 667 CG2 ILE C 53 -0.355 5.190 0.323 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.954 7.510 1.928 1.00 0.00 C ATOM 0 H ILE C 53 -0.901 5.812 2.801 1.00 0.00 H new ATOM 0 HA ILE C 53 0.476 3.373 2.358 1.00 0.00 H new ATOM 0 HB ILE C 53 1.583 4.377 0.687 1.00 0.00 H new ATOM 0 HG12 ILE C 53 2.639 6.217 1.675 1.00 0.00 H new ATOM 0 HG13 ILE C 53 1.874 6.701 0.175 1.00 0.00 H new ATOM 0 HG21 ILE C 53 -0.111 5.655 -0.632 1.00 0.00 H new ATOM 0 HG22 ILE C 53 -0.764 4.195 0.149 1.00 0.00 H new ATOM 0 HG23 ILE C 53 -1.093 5.799 0.845 1.00 0.00 H new ATOM 0 HD11 ILE C 53 1.568 8.410 1.905 1.00 0.00 H new ATOM 0 HD12 ILE C 53 0.000 7.709 1.439 1.00 0.00 H new ATOM 0 HD13 ILE C 53 0.777 7.218 2.963 1.00 0.00 H new ATOM 680 N LYS C 54 1.775 5.420 4.407 1.00 0.00 N ATOM 681 CA LYS C 54 2.902 5.811 5.227 1.00 0.00 C ATOM 682 C LYS C 54 2.953 4.962 6.481 1.00 0.00 C ATOM 683 O LYS C 54 4.020 4.527 6.875 1.00 0.00 O ATOM 684 CB LYS C 54 2.846 7.294 5.527 1.00 0.00 C ATOM 685 CG LYS C 54 4.049 8.054 5.018 1.00 0.00 C ATOM 686 CD LYS C 54 5.400 7.707 5.594 1.00 0.00 C ATOM 687 CE LYS C 54 5.445 7.891 7.026 1.00 0.00 C ATOM 688 NZ LYS C 54 6.739 7.644 7.570 1.00 0.00 N ATOM 0 H LYS C 54 0.910 5.902 4.650 1.00 0.00 H new ATOM 0 HA LYS C 54 3.829 5.634 4.682 1.00 0.00 H new ATOM 0 HB2 LYS C 54 1.945 7.714 5.081 1.00 0.00 H new ATOM 0 HB3 LYS C 54 2.764 7.437 6.605 1.00 0.00 H new ATOM 0 HG2 LYS C 54 4.100 7.914 3.938 1.00 0.00 H new ATOM 0 HG3 LYS C 54 3.873 9.115 5.194 1.00 0.00 H new ATOM 0 HD2 LYS C 54 5.640 6.671 5.355 1.00 0.00 H new ATOM 0 HD3 LYS C 54 6.164 8.328 5.125 1.00 0.00 H new ATOM 0 HE2 LYS C 54 5.142 8.910 7.267 1.00 0.00 H new ATOM 0 HE3 LYS C 54 4.723 7.224 7.497 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 6.716 7.790 8.599 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 7.020 6.664 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 7.426 8.298 7.143 1.00 0.00 H new ATOM 702 N ALA C 55 1.777 4.642 7.015 1.00 0.00 N ATOM 703 CA ALA C 55 1.577 3.538 7.922 1.00 0.00 C ATOM 704 C ALA C 55 2.098 2.266 7.282 1.00 0.00 C ATOM 705 O ALA C 55 2.930 1.578 7.863 1.00 0.00 O ATOM 706 CB ALA C 55 0.106 3.398 8.282 1.00 0.00 C ATOM 0 H ALA C 55 0.922 5.162 6.818 1.00 0.00 H new ATOM 0 HA ALA C 55 2.127 3.726 8.844 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -0.023 2.560 8.967 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -0.240 4.314 8.761 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -0.475 3.220 7.377 1.00 0.00 H new ATOM 712 N ILE C 56 1.747 1.982 6.028 1.00 0.00 N ATOM 713 CA ILE C 56 2.221 0.819 5.316 1.00 0.00 C ATOM 714 C ILE C 56 3.721 0.805 5.075 1.00 0.00 C ATOM 715 O ILE C 56 4.336 -0.242 5.225 1.00 0.00 O ATOM 716 CB ILE C 56 1.405 0.588 4.055 1.00 0.00 C ATOM 717 CG1 ILE C 56 0.268 -0.358 4.364 1.00 0.00 C ATOM 718 CG2 ILE C 56 2.146 0.049 2.851 1.00 0.00 C ATOM 719 CD1 ILE C 56 -0.717 0.095 5.408 1.00 0.00 C ATOM 0 H ILE C 56 1.117 2.568 5.480 1.00 0.00 H new ATOM 0 HA ILE C 56 2.059 -0.036 5.973 1.00 0.00 H new ATOM 0 HB ILE C 56 1.075 1.587 3.768 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.278 -0.549 3.440 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.693 -1.309 4.686 1.00 0.00 H new ATOM 0 HG21 ILE C 56 1.451 -0.070 2.020 1.00 0.00 H new ATOM 0 HG22 ILE C 56 2.935 0.746 2.567 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.586 -0.917 3.097 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -1.484 -0.668 5.540 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -0.198 0.255 6.353 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -1.184 1.027 5.088 1.00 0.00 H new ATOM 731 N ALA C 57 4.366 1.942 4.821 1.00 0.00 N ATOM 732 CA ALA C 57 5.806 1.951 4.704 1.00 0.00 C ATOM 733 C ALA C 57 6.528 1.630 5.999 1.00 0.00 C ATOM 734 O ALA C 57 7.588 1.060 6.020 1.00 0.00 O ATOM 735 CB ALA C 57 6.228 3.296 4.156 1.00 0.00 C ATOM 0 H ALA C 57 3.916 2.849 4.696 1.00 0.00 H new ATOM 0 HA ALA C 57 6.094 1.151 4.022 1.00 0.00 H new ATOM 0 HB1 ALA C 57 7.313 3.325 4.059 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.772 3.450 3.178 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.903 4.084 4.835 1.00 0.00 H new ATOM 741 N ALA C 58 5.927 1.973 7.127 1.00 0.00 N ATOM 742 CA ALA C 58 6.392 1.668 8.461 1.00 0.00 C ATOM 743 C ALA C 58 6.109 0.242 8.891 1.00 0.00 C ATOM 744 O ALA C 58 6.932 -0.388 9.544 1.00 0.00 O ATOM 745 CB ALA C 58 5.792 2.672 9.428 1.00 0.00 C ATOM 0 H ALA C 58 5.054 2.501 7.131 1.00 0.00 H new ATOM 0 HA ALA C 58 7.479 1.750 8.464 1.00 0.00 H new ATOM 0 HB1 ALA C 58 6.135 2.453 10.439 1.00 0.00 H new ATOM 0 HB2 ALA C 58 6.105 3.678 9.149 1.00 0.00 H new ATOM 0 HB3 ALA C 58 4.705 2.607 9.392 1.00 0.00 H new ATOM 751 N ILE C 59 4.975 -0.311 8.462 1.00 0.00 N ATOM 752 CA ILE C 59 4.601 -1.700 8.586 1.00 0.00 C ATOM 753 C ILE C 59 5.466 -2.578 7.703 1.00 0.00 C ATOM 754 O ILE C 59 5.886 -3.622 8.164 1.00 0.00 O ATOM 755 CB ILE C 59 3.112 -1.807 8.297 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.278 -1.225 9.425 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.631 -3.205 7.964 1.00 0.00 C ATOM 758 CD1 ILE C 59 0.870 -0.805 9.062 1.00 0.00 C ATOM 0 H ILE C 59 4.257 0.241 7.992 1.00 0.00 H new ATOM 0 HA ILE C 59 4.777 -2.068 9.597 1.00 0.00 H new ATOM 0 HB ILE C 59 2.969 -1.213 7.394 1.00 0.00 H new ATOM 0 HG12 ILE C 59 2.221 -1.963 10.225 1.00 0.00 H new ATOM 0 HG13 ILE C 59 2.802 -0.358 9.827 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.558 -3.185 7.773 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.151 -3.567 7.077 1.00 0.00 H new ATOM 0 HG23 ILE C 59 2.838 -3.870 8.802 1.00 0.00 H new ATOM 0 HD11 ILE C 59 0.371 -0.405 9.945 1.00 0.00 H new ATOM 0 HD12 ILE C 59 0.907 -0.039 8.288 1.00 0.00 H new ATOM 0 HD13 ILE C 59 0.317 -1.668 8.692 1.00 0.00 H new ATOM 770 N ILE C 60 5.875 -2.163 6.509 1.00 0.00 N ATOM 771 CA ILE C 60 6.880 -2.783 5.678 1.00 0.00 C ATOM 772 C ILE C 60 8.247 -2.865 6.329 1.00 0.00 C ATOM 773 O ILE C 60 8.888 -3.902 6.272 1.00 0.00 O ATOM 774 CB ILE C 60 6.892 -2.123 4.305 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.641 -2.554 3.557 1.00 0.00 C ATOM 776 CG2 ILE C 60 8.120 -2.424 3.467 1.00 0.00 C ATOM 777 CD1 ILE C 60 5.501 -1.977 2.164 1.00 0.00 C ATOM 0 H ILE C 60 5.482 -1.328 6.074 1.00 0.00 H new ATOM 0 HA ILE C 60 6.604 -3.829 5.544 1.00 0.00 H new ATOM 0 HB ILE C 60 6.917 -1.046 4.474 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.634 -3.642 3.486 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.768 -2.267 4.143 1.00 0.00 H new ATOM 0 HG21 ILE C 60 8.040 -1.912 2.508 1.00 0.00 H new ATOM 0 HG22 ILE C 60 9.011 -2.078 3.990 1.00 0.00 H new ATOM 0 HG23 ILE C 60 8.192 -3.499 3.300 1.00 0.00 H new ATOM 0 HD11 ILE C 60 4.579 -2.341 1.710 1.00 0.00 H new ATOM 0 HD12 ILE C 60 5.472 -0.889 2.222 1.00 0.00 H new ATOM 0 HD13 ILE C 60 6.351 -2.285 1.555 1.00 0.00 H new ATOM 789 N LYS C 61 8.684 -1.768 6.943 1.00 0.00 N ATOM 790 CA LYS C 61 9.888 -1.668 7.737 1.00 0.00 C ATOM 791 C LYS C 61 9.938 -2.670 8.872 1.00 0.00 C ATOM 792 O LYS C 61 11.020 -3.082 9.229 1.00 0.00 O ATOM 793 CB LYS C 61 10.054 -0.210 8.127 1.00 0.00 C ATOM 794 CG LYS C 61 11.124 0.093 9.145 1.00 0.00 C ATOM 795 CD LYS C 61 12.506 -0.177 8.600 1.00 0.00 C ATOM 796 CE LYS C 61 12.868 0.819 7.556 1.00 0.00 C ATOM 797 NZ LYS C 61 14.242 0.679 7.186 1.00 0.00 N ATOM 0 H LYS C 61 8.176 -0.885 6.892 1.00 0.00 H new ATOM 0 HA LYS C 61 10.764 -1.959 7.157 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.268 0.363 7.225 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.101 0.151 8.515 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.051 1.137 9.450 1.00 0.00 H new ATOM 0 HG3 LYS C 61 10.960 -0.512 10.037 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.234 -0.142 9.410 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.546 -1.182 8.179 1.00 0.00 H new ATOM 0 HE2 LYS C 61 12.234 0.683 6.680 1.00 0.00 H new ATOM 0 HE3 LYS C 61 12.686 1.827 7.928 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 14.478 1.382 6.456 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 14.844 0.831 8.021 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.405 -0.277 6.811 1.00 0.00 H new ATOM 811 N ALA C 62 8.807 -3.135 9.374 1.00 0.00 N ATOM 812 CA ALA C 62 8.682 -4.237 10.284 1.00 0.00 C ATOM 813 C ALA C 62 8.497 -5.569 9.603 1.00 0.00 C ATOM 814 O ALA C 62 9.114 -6.513 9.985 1.00 0.00 O ATOM 815 CB ALA C 62 7.552 -3.950 11.225 1.00 0.00 C ATOM 0 H ALA C 62 7.905 -2.722 9.137 1.00 0.00 H new ATOM 0 HA ALA C 62 9.622 -4.327 10.829 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.442 -4.778 11.925 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.762 -3.034 11.777 1.00 0.00 H new ATOM 0 HB3 ALA C 62 6.629 -3.829 10.659 1.00 0.00 H new ATOM 821 N GLY C 63 7.637 -5.666 8.605 1.00 0.00 N ATOM 822 CA GLY C 63 7.208 -6.876 7.965 1.00 0.00 C ATOM 823 C GLY C 63 8.210 -7.509 7.024 1.00 0.00 C ATOM 824 O GLY C 63 8.065 -8.669 6.714 1.00 0.00 O ATOM 0 H GLY C 63 7.196 -4.840 8.200 1.00 0.00 H new ATOM 0 HA2 GLY C 63 6.952 -7.602 8.736 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.295 -6.667 7.408 1.00 0.00 H new ATOM 828 N GLY C 64 9.190 -6.814 6.476 1.00 0.00 N ATOM 829 CA GLY C 64 10.281 -7.410 5.748 1.00 0.00 C ATOM 830 C GLY C 64 9.926 -7.858 4.347 1.00 0.00 C ATOM 831 O GLY C 64 10.531 -8.764 3.836 1.00 0.00 O ATOM 0 H GLY C 64 9.245 -5.797 6.529 1.00 0.00 H new ATOM 0 HA2 GLY C 64 11.099 -6.692 5.691 1.00 0.00 H new ATOM 0 HA3 GLY C 64 10.650 -8.269 6.309 1.00 0.00 H new ATOM 835 N PHE C 65 8.938 -7.230 3.726 1.00 0.00 N ATOM 836 CA PHE C 65 8.468 -7.424 2.378 1.00 0.00 C ATOM 837 C PHE C 65 9.546 -7.232 1.360 1.00 0.00 C ATOM 838 O PHE C 65 9.906 -8.137 0.665 1.00 0.00 O ATOM 839 CB PHE C 65 7.290 -6.510 2.109 1.00 0.00 C ATOM 840 CG PHE C 65 6.113 -6.635 3.031 1.00 0.00 C ATOM 841 CD1 PHE C 65 6.087 -5.927 4.228 1.00 0.00 C ATOM 842 CD2 PHE C 65 4.987 -7.330 2.623 1.00 0.00 C ATOM 843 CE1 PHE C 65 4.906 -5.751 4.944 1.00 0.00 C ATOM 844 CE2 PHE C 65 3.807 -7.216 3.352 1.00 0.00 C ATOM 845 CZ PHE C 65 3.784 -6.432 4.500 1.00 0.00 C ATOM 0 H PHE C 65 8.401 -6.507 4.205 1.00 0.00 H new ATOM 0 HA PHE C 65 8.145 -8.461 2.286 1.00 0.00 H new ATOM 0 HB2 PHE C 65 7.644 -5.480 2.147 1.00 0.00 H new ATOM 0 HB3 PHE C 65 6.945 -6.691 1.091 1.00 0.00 H new ATOM 0 HD1 PHE C 65 7.004 -5.504 4.611 1.00 0.00 H new ATOM 0 HD2 PHE C 65 5.024 -7.957 1.744 1.00 0.00 H new ATOM 0 HE1 PHE C 65 4.866 -5.109 5.811 1.00 0.00 H new ATOM 0 HE2 PHE C 65 2.916 -7.733 3.028 1.00 0.00 H new ATOM 0 HZ PHE C 65 2.865 -6.352 5.062 1.00 0.00 H new ATOM 865 N ALA D 68 6.934 -12.657 4.075 1.00 0.00 N ATOM 866 CA ALA D 68 6.044 -11.596 4.384 1.00 0.00 C ATOM 867 C ALA D 68 4.792 -12.094 5.055 1.00 0.00 C ATOM 868 O ALA D 68 3.710 -12.028 4.521 1.00 0.00 O ATOM 869 CB ALA D 68 5.788 -10.792 3.168 1.00 0.00 C ATOM 0 HA ALA D 68 6.509 -10.936 5.116 1.00 0.00 H new ATOM 0 HB1 ALA D 68 5.104 -9.978 3.408 1.00 0.00 H new ATOM 0 HB2 ALA D 68 6.728 -10.380 2.800 1.00 0.00 H new ATOM 0 HB3 ALA D 68 5.343 -11.425 2.400 1.00 0.00 H new ATOM 875 N LYS D 69 4.897 -12.521 6.299 1.00 0.00 N ATOM 876 CA LYS D 69 3.776 -12.828 7.140 1.00 0.00 C ATOM 877 C LYS D 69 2.834 -11.675 7.358 1.00 0.00 C ATOM 878 O LYS D 69 1.658 -11.921 7.533 1.00 0.00 O ATOM 879 CB LYS D 69 4.235 -13.348 8.480 1.00 0.00 C ATOM 880 CG LYS D 69 4.948 -14.660 8.406 1.00 0.00 C ATOM 881 CD LYS D 69 5.268 -15.270 9.730 1.00 0.00 C ATOM 882 CE LYS D 69 6.216 -14.519 10.508 1.00 0.00 C ATOM 883 NZ LYS D 69 6.577 -15.163 11.721 1.00 0.00 N ATOM 0 H LYS D 69 5.796 -12.665 6.758 1.00 0.00 H new ATOM 0 HA LYS D 69 3.221 -13.596 6.601 1.00 0.00 H new ATOM 0 HB2 LYS D 69 4.895 -12.612 8.938 1.00 0.00 H new ATOM 0 HB3 LYS D 69 3.370 -13.452 9.135 1.00 0.00 H new ATOM 0 HG2 LYS D 69 4.336 -15.360 7.837 1.00 0.00 H new ATOM 0 HG3 LYS D 69 5.876 -14.523 7.850 1.00 0.00 H new ATOM 0 HD2 LYS D 69 4.346 -15.375 10.302 1.00 0.00 H new ATOM 0 HD3 LYS D 69 5.660 -16.275 9.570 1.00 0.00 H new ATOM 0 HE2 LYS D 69 7.113 -14.350 9.912 1.00 0.00 H new ATOM 0 HE3 LYS D 69 5.795 -13.539 10.735 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 7.262 -14.574 12.237 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 5.729 -15.301 12.307 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 7.006 -16.087 11.509 1.00 0.00 H new ATOM 897 N ALA D 70 3.319 -10.440 7.290 1.00 0.00 N ATOM 898 CA ALA D 70 2.589 -9.211 7.394 1.00 0.00 C ATOM 899 C ALA D 70 1.667 -8.917 6.232 1.00 0.00 C ATOM 900 O ALA D 70 0.986 -7.903 6.256 1.00 0.00 O ATOM 901 CB ALA D 70 3.625 -8.116 7.574 1.00 0.00 C ATOM 0 H ALA D 70 4.316 -10.275 7.149 1.00 0.00 H new ATOM 0 HA ALA D 70 1.906 -9.279 8.241 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.124 -7.152 7.659 1.00 0.00 H new ATOM 0 HB2 ALA D 70 4.202 -8.306 8.479 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.294 -8.103 6.713 1.00 0.00 H new ATOM 907 N ALA D 71 1.631 -9.768 5.214 1.00 0.00 N ATOM 908 CA ALA D 71 0.899 -9.560 3.993 1.00 0.00 C ATOM 909 C ALA D 71 -0.581 -9.879 4.054 1.00 0.00 C ATOM 910 O ALA D 71 -1.221 -9.976 3.027 1.00 0.00 O ATOM 911 CB ALA D 71 1.649 -10.235 2.865 1.00 0.00 C ATOM 0 H ALA D 71 2.135 -10.655 5.228 1.00 0.00 H new ATOM 0 HA ALA D 71 0.862 -8.488 3.801 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.109 -10.088 1.930 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.646 -9.802 2.780 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.734 -11.302 3.071 1.00 0.00 H new ATOM 917 N ALA D 72 -1.152 -9.941 5.243 1.00 0.00 N ATOM 918 CA ALA D 72 -2.540 -9.633 5.468 1.00 0.00 C ATOM 919 C ALA D 72 -2.710 -8.373 6.271 1.00 0.00 C ATOM 920 O ALA D 72 -3.475 -7.496 5.905 1.00 0.00 O ATOM 921 CB ALA D 72 -3.228 -10.815 6.057 1.00 0.00 C ATOM 0 H ALA D 72 -0.650 -10.212 6.089 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.021 -9.423 4.513 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.278 -10.578 6.226 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -3.152 -11.659 5.372 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.758 -11.075 7.005 1.00 0.00 H new ATOM 927 N ALA D 73 -1.946 -8.202 7.344 1.00 0.00 N ATOM 928 CA ALA D 73 -2.001 -7.082 8.248 1.00 0.00 C ATOM 929 C ALA D 73 -1.730 -5.731 7.623 1.00 0.00 C ATOM 930 O ALA D 73 -2.404 -4.770 7.943 1.00 0.00 O ATOM 931 CB ALA D 73 -1.009 -7.352 9.359 1.00 0.00 C ATOM 0 H ALA D 73 -1.236 -8.884 7.612 1.00 0.00 H new ATOM 0 HA ALA D 73 -3.027 -7.008 8.609 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -1.021 -6.523 10.067 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -1.281 -8.273 9.874 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -0.009 -7.454 8.937 1.00 0.00 H new ATOM 937 N ALA D 74 -0.775 -5.667 6.705 1.00 0.00 N ATOM 938 CA ALA D 74 -0.492 -4.450 5.984 1.00 0.00 C ATOM 939 C ALA D 74 -1.629 -4.114 5.051 1.00 0.00 C ATOM 940 O ALA D 74 -1.946 -2.968 4.827 1.00 0.00 O ATOM 941 CB ALA D 74 0.796 -4.634 5.215 1.00 0.00 C ATOM 0 H ALA D 74 -0.183 -6.456 6.446 1.00 0.00 H new ATOM 0 HA ALA D 74 -0.383 -3.622 6.684 1.00 0.00 H new ATOM 0 HB1 ALA D 74 1.024 -3.722 4.664 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.607 -4.850 5.910 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.687 -5.463 4.515 1.00 0.00 H new ATOM 947 N ILE D 75 -2.267 -5.125 4.494 1.00 0.00 N ATOM 948 CA ILE D 75 -3.339 -4.993 3.535 1.00 0.00 C ATOM 949 C ILE D 75 -4.614 -4.474 4.180 1.00 0.00 C ATOM 950 O ILE D 75 -5.246 -3.567 3.655 1.00 0.00 O ATOM 951 CB ILE D 75 -3.588 -6.316 2.834 1.00 0.00 C ATOM 952 CG1 ILE D 75 -2.327 -7.034 2.373 1.00 0.00 C ATOM 953 CG2 ILE D 75 -4.537 -6.003 1.689 1.00 0.00 C ATOM 954 CD1 ILE D 75 -1.533 -6.315 1.297 1.00 0.00 C ATOM 0 H ILE D 75 -2.042 -6.097 4.707 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.030 -4.257 2.793 1.00 0.00 H new ATOM 0 HB ILE D 75 -4.021 -7.030 3.534 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.680 -7.190 3.236 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -2.605 -8.020 2.000 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -4.759 -6.918 1.140 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.462 -5.585 2.087 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -4.072 -5.281 1.018 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -0.655 -6.906 1.037 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -2.156 -6.182 0.413 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.217 -5.340 1.668 1.00 0.00 H new ATOM 966 N LYS D 76 -4.944 -5.029 5.344 1.00 0.00 N ATOM 967 CA LYS D 76 -6.050 -4.623 6.175 1.00 0.00 C ATOM 968 C LYS D 76 -5.887 -3.209 6.684 1.00 0.00 C ATOM 969 O LYS D 76 -6.826 -2.476 6.712 1.00 0.00 O ATOM 970 CB LYS D 76 -6.154 -5.651 7.288 1.00 0.00 C ATOM 971 CG LYS D 76 -6.691 -6.979 6.839 1.00 0.00 C ATOM 972 CD LYS D 76 -8.081 -7.028 6.295 1.00 0.00 C ATOM 973 CE LYS D 76 -9.074 -6.650 7.270 1.00 0.00 C ATOM 974 NZ LYS D 76 -10.215 -6.938 6.999 1.00 0.00 N ATOM 0 H LYS D 76 -4.418 -5.807 5.742 1.00 0.00 H new ATOM 0 HA LYS D 76 -6.980 -4.596 5.606 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.167 -5.798 7.727 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -6.797 -5.257 8.075 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -6.020 -7.369 6.074 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -6.640 -7.663 7.686 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -8.153 -6.365 5.433 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -8.292 -8.036 5.939 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -8.818 -7.117 8.221 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -9.017 -5.572 7.419 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -10.844 -6.622 7.764 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -10.489 -6.472 6.111 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -10.296 -7.969 6.888 1.00 0.00 H new ATOM 988 N ALA D 77 -4.675 -2.769 6.948 1.00 0.00 N ATOM 989 CA ALA D 77 -4.284 -1.417 7.265 1.00 0.00 C ATOM 990 C ALA D 77 -4.145 -0.481 6.084 1.00 0.00 C ATOM 991 O ALA D 77 -3.890 0.692 6.313 1.00 0.00 O ATOM 992 CB ALA D 77 -3.013 -1.474 8.092 1.00 0.00 C ATOM 0 H ALA D 77 -3.875 -3.402 6.945 1.00 0.00 H new ATOM 0 HA ALA D 77 -5.103 -0.974 7.831 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -2.697 -0.462 8.344 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -3.200 -2.035 9.008 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -2.228 -1.967 7.519 1.00 0.00 H new ATOM 998 N ILE D 78 -4.403 -0.893 4.848 1.00 0.00 N ATOM 999 CA ILE D 78 -4.556 -0.025 3.701 1.00 0.00 C ATOM 1000 C ILE D 78 -5.931 -0.117 3.056 1.00 0.00 C ATOM 1001 O ILE D 78 -6.589 0.907 2.943 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.379 -0.138 2.743 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -3.479 1.002 1.787 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -3.287 -1.424 1.976 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -2.354 1.208 0.802 1.00 0.00 C ATOM 0 H ILE D 78 -4.514 -1.880 4.615 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.522 1.002 4.065 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.474 -0.117 3.350 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.401 0.880 1.219 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -3.583 1.917 2.370 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.413 -1.397 1.325 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.195 -2.257 2.673 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.186 -1.553 1.373 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.572 2.074 0.177 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -1.423 1.376 1.343 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -2.254 0.323 0.174 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.447 -1.299 2.721 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.662 -1.428 1.948 1.00 0.00 C ATOM 1019 C ALA D 79 -8.914 -0.887 2.614 1.00 0.00 C ATOM 1020 O ALA D 79 -9.796 -0.344 1.968 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.827 -2.886 1.556 1.00 0.00 C ATOM 0 H ALA D 79 -6.026 -2.191 2.983 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.547 -0.795 1.068 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.739 -3.005 0.971 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.971 -3.202 0.960 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.890 -3.500 2.455 1.00 0.00 H new ATOM 1027 N ALA D 80 -8.944 -0.965 3.938 1.00 0.00 N ATOM 1028 CA ALA D 80 -9.975 -0.394 4.773 1.00 0.00 C ATOM 1029 C ALA D 80 -9.862 1.110 4.931 1.00 0.00 C ATOM 1030 O ALA D 80 -10.861 1.802 5.025 1.00 0.00 O ATOM 1031 CB ALA D 80 -9.911 -1.074 6.125 1.00 0.00 C ATOM 0 H ALA D 80 -8.221 -1.447 4.473 1.00 0.00 H new ATOM 0 HA ALA D 80 -10.936 -0.565 4.288 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -10.681 -0.661 6.777 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -10.076 -2.144 6.002 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -8.930 -0.907 6.570 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.645 1.633 4.872 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.330 3.041 4.926 1.00 0.00 C ATOM 1039 C ILE D 81 -8.666 3.640 3.574 1.00 0.00 C ATOM 1040 O ILE D 81 -9.256 4.703 3.502 1.00 0.00 O ATOM 1041 CB ILE D 81 -6.899 3.284 5.380 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -6.627 2.887 6.811 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.511 4.742 5.232 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -6.857 1.455 7.225 1.00 0.00 C ATOM 0 H ILE D 81 -7.813 1.051 4.780 1.00 0.00 H new ATOM 0 HA ILE D 81 -8.931 3.545 5.682 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.302 2.647 4.728 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -5.587 3.130 7.029 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -7.243 3.518 7.451 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.483 4.880 5.565 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.596 5.037 4.186 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -7.175 5.359 5.838 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -6.615 1.338 8.281 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -7.902 1.192 7.061 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -6.220 0.798 6.632 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.356 2.954 2.482 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.771 3.238 1.128 1.00 0.00 C ATOM 1058 C ILE D 82 -10.277 3.349 0.971 1.00 0.00 C ATOM 1059 O ILE D 82 -10.781 4.302 0.402 1.00 0.00 O ATOM 1060 CB ILE D 82 -8.133 2.281 0.129 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.652 2.628 0.086 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.768 2.347 -1.249 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.849 1.878 -0.964 1.00 0.00 C ATOM 0 H ILE D 82 -7.764 2.125 2.531 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.393 4.233 0.892 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.289 1.251 0.449 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.550 3.698 -0.095 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.218 2.428 1.066 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -8.269 1.642 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.825 2.090 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.667 3.356 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.806 2.192 -0.918 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.914 0.806 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -6.250 2.097 -1.954 1.00 0.00 H new ATOM 1075 N LYS D 83 -11.015 2.394 1.523 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.456 2.386 1.595 1.00 0.00 C ATOM 1077 C LYS D 83 -12.993 3.632 2.271 1.00 0.00 C ATOM 1078 O LYS D 83 -14.073 4.082 1.938 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.850 1.052 2.198 1.00 0.00 C ATOM 1080 CG LYS D 83 -14.285 0.925 2.644 1.00 0.00 C ATOM 1081 CD LYS D 83 -15.292 0.971 1.550 1.00 0.00 C ATOM 1082 CE LYS D 83 -15.538 -0.215 0.863 1.00 0.00 C ATOM 1083 NZ LYS D 83 -16.129 -1.115 1.598 1.00 0.00 N ATOM 0 H LYS D 83 -10.597 1.568 1.951 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.930 2.451 0.616 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.648 0.271 1.465 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.206 0.859 3.056 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.400 -0.015 3.183 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.502 1.726 3.351 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -16.235 1.319 1.973 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -14.971 1.721 0.827 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -16.157 -0.002 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -14.595 -0.617 0.494 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -16.749 -1.698 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -15.413 -1.720 2.048 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -16.697 -0.646 2.332 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.270 4.232 3.204 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.642 5.465 3.855 1.00 0.00 C ATOM 1099 C ALA D 84 -12.145 6.710 3.168 1.00 0.00 C ATOM 1100 O ALA D 84 -12.831 7.696 3.132 1.00 0.00 O ATOM 1101 CB ALA D 84 -12.119 5.350 5.264 1.00 0.00 C ATOM 0 H ALA D 84 -11.381 3.857 3.535 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.725 5.586 3.823 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.366 6.255 5.819 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.575 4.489 5.752 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -11.037 5.223 5.241 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.977 6.689 2.572 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.390 7.798 1.864 1.00 0.00 C ATOM 1109 C GLY D 85 -10.925 7.996 0.462 1.00 0.00 C ATOM 1110 O GLY D 85 -10.953 9.118 0.007 1.00 0.00 O ATOM 0 H GLY D 85 -10.384 5.859 2.568 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.559 8.710 2.437 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.311 7.650 1.811 1.00 0.00 H new ATOM 1114 N GLY D 86 -11.394 6.967 -0.227 1.00 0.00 N ATOM 1115 CA GLY D 86 -11.979 7.063 -1.532 1.00 0.00 C ATOM 1116 C GLY D 86 -10.960 7.380 -2.607 1.00 0.00 C ATOM 1117 O GLY D 86 -11.248 8.129 -3.508 1.00 0.00 O ATOM 0 H GLY D 86 -11.371 6.012 0.131 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -12.475 6.123 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.747 7.836 -1.526 1.00 0.00 H new ATOM 1121 N PHE D 87 -9.759 6.846 -2.505 1.00 0.00 N ATOM 1122 CA PHE D 87 -8.628 7.077 -3.362 1.00 0.00 C ATOM 1123 C PHE D 87 -8.884 6.821 -4.824 1.00 0.00 C ATOM 1124 O PHE D 87 -8.853 7.738 -5.615 1.00 0.00 O ATOM 1125 CB PHE D 87 -7.448 6.271 -2.861 1.00 0.00 C ATOM 1126 CG PHE D 87 -6.914 6.660 -1.511 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -7.439 6.072 -0.362 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -5.794 7.481 -1.401 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.768 6.151 0.858 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -5.151 7.622 -0.173 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.612 6.922 0.942 1.00 0.00 C ATOM 0 H PHE D 87 -9.538 6.187 -1.758 1.00 0.00 H new ATOM 0 HA PHE D 87 -8.409 8.143 -3.308 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -7.738 5.221 -2.827 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -6.640 6.355 -3.588 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -8.381 5.547 -0.417 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -5.424 8.008 -2.268 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -7.139 5.623 1.724 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -4.295 8.274 -0.084 1.00 0.00 H new ATOM 0 HZ PHE D 87 -5.070 6.978 1.874 1.00 0.00 H new