USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 612 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00336) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.970 12.237 -2.006 1.00 0.00 C HETATM 2 O ACE A 1 1.559 11.373 -2.755 1.00 0.00 O HETATM 3 CH3 ACE A 1 3.431 12.298 -1.660 1.00 0.00 C HETATM 0 H1 ACE A 1 3.840 13.258 -1.975 1.00 0.00 H new HETATM 0 H2 ACE A 1 3.555 12.187 -0.583 1.00 0.00 H new HETATM 0 H3 ACE A 1 3.960 11.493 -2.171 1.00 0.00 H new ATOM 7 N ALA A 2 1.213 13.259 -1.637 1.00 0.00 N ATOM 8 CA ALA A 2 -0.072 13.561 -2.175 1.00 0.00 C ATOM 9 C ALA A 2 -0.109 13.614 -3.687 1.00 0.00 C ATOM 10 O ALA A 2 -1.015 13.081 -4.289 1.00 0.00 O ATOM 11 CB ALA A 2 -0.456 14.885 -1.602 1.00 0.00 C ATOM 0 H ALA A 2 1.507 13.922 -0.919 1.00 0.00 H new ATOM 0 HA ALA A 2 -0.767 12.765 -1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.437 15.174 -1.978 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.491 14.815 -0.515 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.279 15.635 -1.894 1.00 0.00 H new ATOM 17 N LYS A 3 0.896 14.197 -4.314 1.00 0.00 N ATOM 18 CA LYS A 3 1.059 14.265 -5.743 1.00 0.00 C ATOM 19 C LYS A 3 1.477 12.965 -6.399 1.00 0.00 C ATOM 20 O LYS A 3 1.335 12.821 -7.594 1.00 0.00 O ATOM 21 CB LYS A 3 2.081 15.325 -6.078 1.00 0.00 C ATOM 22 CG LYS A 3 1.614 16.731 -5.755 1.00 0.00 C ATOM 23 CD LYS A 3 2.564 17.787 -6.208 1.00 0.00 C ATOM 24 CE LYS A 3 2.029 19.186 -6.045 1.00 0.00 C ATOM 25 NZ LYS A 3 1.845 19.564 -4.726 1.00 0.00 N ATOM 0 H LYS A 3 1.654 14.657 -3.810 1.00 0.00 H new ATOM 0 HA LYS A 3 0.072 14.504 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.000 15.120 -5.529 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.323 15.265 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.644 16.900 -6.222 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.469 16.820 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.493 17.694 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.808 17.620 -7.257 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.716 19.885 -6.521 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.078 19.265 -6.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.508 20.547 -4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.141 18.941 -4.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.747 19.489 -4.214 1.00 0.00 H new ATOM 39 N ALA A 4 2.002 12.024 -5.631 1.00 0.00 N ATOM 40 CA ALA A 4 2.457 10.721 -6.057 1.00 0.00 C ATOM 41 C ALA A 4 1.453 9.618 -5.798 1.00 0.00 C ATOM 42 O ALA A 4 1.669 8.472 -6.161 1.00 0.00 O ATOM 43 CB ALA A 4 3.733 10.508 -5.260 1.00 0.00 C ATOM 0 H ALA A 4 2.127 12.165 -4.629 1.00 0.00 H new ATOM 0 HA ALA A 4 2.608 10.685 -7.136 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.162 9.538 -5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.448 11.295 -5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.506 10.538 -4.194 1.00 0.00 H new ATOM 49 N ALA A 5 0.340 9.937 -5.142 1.00 0.00 N ATOM 50 CA ALA A 5 -0.614 8.990 -4.616 1.00 0.00 C ATOM 51 C ALA A 5 -1.345 8.152 -5.645 1.00 0.00 C ATOM 52 O ALA A 5 -1.330 6.937 -5.548 1.00 0.00 O ATOM 53 CB ALA A 5 -1.538 9.678 -3.626 1.00 0.00 C ATOM 0 H ALA A 5 0.076 10.905 -4.960 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.032 8.237 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.254 8.956 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.951 10.088 -2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -2.073 10.484 -4.128 1.00 0.00 H new ATOM 59 N ALA A 6 -1.907 8.764 -6.678 1.00 0.00 N ATOM 60 CA ALA A 6 -2.560 8.004 -7.717 1.00 0.00 C ATOM 61 C ALA A 6 -1.657 6.976 -8.362 1.00 0.00 C ATOM 62 O ALA A 6 -2.057 5.859 -8.520 1.00 0.00 O ATOM 63 CB ALA A 6 -3.189 8.969 -8.694 1.00 0.00 C ATOM 0 H ALA A 6 -1.921 9.775 -6.812 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.351 7.397 -7.276 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.687 8.411 -9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.918 9.590 -8.174 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.416 9.603 -9.128 1.00 0.00 H new ATOM 69 N ALA A 7 -0.414 7.296 -8.640 1.00 0.00 N ATOM 70 CA ALA A 7 0.580 6.379 -9.145 1.00 0.00 C ATOM 71 C ALA A 7 0.954 5.238 -8.226 1.00 0.00 C ATOM 72 O ALA A 7 1.304 4.200 -8.732 1.00 0.00 O ATOM 73 CB ALA A 7 1.826 7.165 -9.484 1.00 0.00 C ATOM 0 H ALA A 7 -0.054 8.242 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 7 0.126 5.904 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.590 6.489 -9.868 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.590 7.913 -10.241 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.198 7.661 -8.588 1.00 0.00 H new ATOM 79 N ALA A 8 0.854 5.348 -6.909 1.00 0.00 N ATOM 80 CA ALA A 8 1.010 4.236 -6.001 1.00 0.00 C ATOM 81 C ALA A 8 -0.259 3.418 -5.847 1.00 0.00 C ATOM 82 O ALA A 8 -0.288 2.219 -6.047 1.00 0.00 O ATOM 83 CB ALA A 8 1.469 4.780 -4.657 1.00 0.00 C ATOM 0 H ALA A 8 0.658 6.232 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 8 1.754 3.554 -6.414 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.594 3.956 -3.954 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.420 5.299 -4.780 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.723 5.476 -4.272 1.00 0.00 H new ATOM 89 N ILE A 9 -1.341 4.090 -5.477 1.00 0.00 N ATOM 90 CA ILE A 9 -2.546 3.469 -4.978 1.00 0.00 C ATOM 91 C ILE A 9 -3.272 2.765 -6.110 1.00 0.00 C ATOM 92 O ILE A 9 -3.801 1.680 -5.900 1.00 0.00 O ATOM 93 CB ILE A 9 -3.466 4.520 -4.375 1.00 0.00 C ATOM 94 CG1 ILE A 9 -2.842 5.430 -3.330 1.00 0.00 C ATOM 95 CG2 ILE A 9 -4.724 3.834 -3.860 1.00 0.00 C ATOM 96 CD1 ILE A 9 -2.601 4.896 -1.932 1.00 0.00 C ATOM 0 H ILE A 9 -1.400 5.107 -5.519 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.272 2.744 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.708 5.214 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.883 5.769 -3.721 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.479 6.310 -3.240 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.392 4.578 -3.425 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.228 3.332 -4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.453 3.101 -3.100 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.151 5.676 -1.317 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -3.549 4.589 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.929 4.039 -1.981 1.00 0.00 H new ATOM 108 N LYS A 10 -3.327 3.368 -7.294 1.00 0.00 N ATOM 109 CA LYS A 10 -4.073 2.848 -8.412 1.00 0.00 C ATOM 110 C LYS A 10 -3.459 1.602 -9.019 1.00 0.00 C ATOM 111 O LYS A 10 -4.154 0.762 -9.566 1.00 0.00 O ATOM 112 CB LYS A 10 -4.282 3.930 -9.461 1.00 0.00 C ATOM 113 CG LYS A 10 -5.232 5.027 -9.026 1.00 0.00 C ATOM 114 CD LYS A 10 -5.451 6.060 -10.113 1.00 0.00 C ATOM 115 CE LYS A 10 -6.316 5.558 -11.242 1.00 0.00 C ATOM 116 NZ LYS A 10 -6.491 6.466 -12.308 1.00 0.00 N ATOM 0 H LYS A 10 -2.844 4.243 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.044 2.539 -8.024 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.318 4.374 -9.709 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.665 3.471 -10.372 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.189 4.587 -8.748 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.836 5.517 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.912 6.946 -9.676 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.485 6.368 -10.513 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.878 4.640 -11.635 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.296 5.298 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.098 6.035 -13.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.939 7.335 -11.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.566 6.697 -12.722 1.00 0.00 H new ATOM 130 N ALA A 11 -2.163 1.416 -8.797 1.00 0.00 N ATOM 131 CA ALA A 11 -1.535 0.125 -8.872 1.00 0.00 C ATOM 132 C ALA A 11 -2.036 -0.743 -7.737 1.00 0.00 C ATOM 133 O ALA A 11 -2.781 -1.684 -7.978 1.00 0.00 O ATOM 134 CB ALA A 11 -0.030 0.302 -8.934 1.00 0.00 C ATOM 0 H ALA A 11 -1.522 2.172 -8.558 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.805 -0.405 -9.785 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.449 -0.675 -8.991 1.00 0.00 H new ATOM 0 HB2 ALA A 11 0.232 0.886 -9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.312 0.822 -8.039 1.00 0.00 H new ATOM 140 N ILE A 12 -1.669 -0.451 -6.491 1.00 0.00 N ATOM 141 CA ILE A 12 -1.744 -1.392 -5.397 1.00 0.00 C ATOM 142 C ILE A 12 -3.166 -1.817 -5.073 1.00 0.00 C ATOM 143 O ILE A 12 -3.382 -2.998 -4.851 1.00 0.00 O ATOM 144 CB ILE A 12 -0.940 -0.894 -4.209 1.00 0.00 C ATOM 145 CG1 ILE A 12 -0.151 -1.967 -3.499 1.00 0.00 C ATOM 146 CG2 ILE A 12 -1.684 -0.009 -3.240 1.00 0.00 C ATOM 147 CD1 ILE A 12 -0.830 -2.868 -2.529 1.00 0.00 C ATOM 0 H ILE A 12 -1.307 0.463 -6.218 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.272 -2.322 -5.714 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.214 -0.237 -4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.302 -2.597 -4.265 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.663 -1.474 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.016 0.288 -2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.042 0.879 -3.760 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.533 -0.554 -2.827 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.107 -3.573 -2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.257 -2.276 -1.720 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.624 -3.416 -3.036 1.00 0.00 H new ATOM 159 N ALA A 13 -4.169 -0.944 -5.162 1.00 0.00 N ATOM 160 CA ALA A 13 -5.535 -1.349 -4.936 1.00 0.00 C ATOM 161 C ALA A 13 -6.115 -2.229 -6.030 1.00 0.00 C ATOM 162 O ALA A 13 -6.985 -3.042 -5.755 1.00 0.00 O ATOM 163 CB ALA A 13 -6.359 -0.094 -4.733 1.00 0.00 C ATOM 0 H ALA A 13 -4.051 0.043 -5.389 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.560 -1.982 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.400 -0.366 -4.559 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.979 0.455 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.292 0.533 -5.622 1.00 0.00 H new ATOM 169 N ALA A 14 -5.622 -2.104 -7.257 1.00 0.00 N ATOM 170 CA ALA A 14 -6.040 -2.895 -8.392 1.00 0.00 C ATOM 171 C ALA A 14 -5.295 -4.215 -8.465 1.00 0.00 C ATOM 172 O ALA A 14 -5.871 -5.233 -8.818 1.00 0.00 O ATOM 173 CB ALA A 14 -5.886 -2.059 -9.653 1.00 0.00 C ATOM 0 H ALA A 14 -4.897 -1.425 -7.489 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.090 -3.166 -8.282 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.198 -2.644 -10.518 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.507 -1.166 -9.576 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -4.843 -1.766 -9.770 1.00 0.00 H new ATOM 179 N ILE A 15 -4.035 -4.223 -8.035 1.00 0.00 N ATOM 180 CA ILE A 15 -3.223 -5.394 -7.796 1.00 0.00 C ATOM 181 C ILE A 15 -3.806 -6.175 -6.632 1.00 0.00 C ATOM 182 O ILE A 15 -3.895 -7.391 -6.730 1.00 0.00 O ATOM 183 CB ILE A 15 -1.756 -5.021 -7.629 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.170 -4.329 -8.847 1.00 0.00 C ATOM 185 CG2 ILE A 15 -0.936 -6.263 -7.325 1.00 0.00 C ATOM 186 CD1 ILE A 15 0.117 -3.558 -8.627 1.00 0.00 C ATOM 0 H ILE A 15 -3.533 -3.358 -7.835 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.244 -6.054 -8.663 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.712 -4.314 -6.800 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.991 -5.081 -9.615 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.918 -3.641 -9.243 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.112 -5.987 -7.207 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.297 -6.721 -6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.034 -6.974 -8.146 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.437 -3.109 -9.567 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.050 -2.774 -7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.890 -4.236 -8.267 1.00 0.00 H new ATOM 198 N ILE A 16 -4.247 -5.555 -5.542 1.00 0.00 N ATOM 199 CA ILE A 16 -5.002 -6.184 -4.479 1.00 0.00 C ATOM 200 C ILE A 16 -6.264 -6.874 -4.963 1.00 0.00 C ATOM 201 O ILE A 16 -6.482 -8.022 -4.619 1.00 0.00 O ATOM 202 CB ILE A 16 -5.288 -5.190 -3.364 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.031 -5.097 -2.512 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.448 -5.578 -2.467 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.077 -4.102 -1.364 1.00 0.00 C ATOM 0 H ILE A 16 -4.079 -4.563 -5.374 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.376 -6.980 -4.077 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.566 -4.245 -3.830 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.820 -6.085 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.195 -4.835 -3.160 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.585 -4.817 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.357 -5.660 -3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.237 -6.537 -1.994 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.129 -4.122 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.251 -3.100 -1.757 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.885 -4.369 -0.683 1.00 0.00 H new ATOM 217 N LYS A 17 -7.044 -6.191 -5.792 1.00 0.00 N ATOM 218 CA LYS A 17 -8.206 -6.729 -6.458 1.00 0.00 C ATOM 219 C LYS A 17 -7.924 -7.924 -7.344 1.00 0.00 C ATOM 220 O LYS A 17 -8.765 -8.790 -7.467 1.00 0.00 O ATOM 221 CB LYS A 17 -8.847 -5.555 -7.185 1.00 0.00 C ATOM 222 CG LYS A 17 -10.034 -5.864 -8.072 1.00 0.00 C ATOM 223 CD LYS A 17 -11.285 -6.290 -7.361 1.00 0.00 C ATOM 224 CE LYS A 17 -11.899 -5.208 -6.556 1.00 0.00 C ATOM 225 NZ LYS A 17 -13.009 -5.075 -6.500 1.00 0.00 N ATOM 0 H LYS A 17 -6.872 -5.212 -6.022 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.896 -7.158 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.162 -4.825 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.082 -5.076 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.260 -4.979 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.748 -6.652 -8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.009 -6.643 -8.095 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.055 -7.133 -6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.544 -5.335 -5.533 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.486 -4.268 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.231 -4.265 -5.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.386 -4.902 -7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.442 -5.935 -6.107 1.00 0.00 H new ATOM 239 N ALA A 18 -6.732 -8.042 -7.905 1.00 0.00 N ATOM 240 CA ALA A 18 -6.240 -9.189 -8.625 1.00 0.00 C ATOM 241 C ALA A 18 -5.718 -10.276 -7.706 1.00 0.00 C ATOM 242 O ALA A 18 -6.098 -11.412 -7.871 1.00 0.00 O ATOM 243 CB ALA A 18 -5.232 -8.700 -9.648 1.00 0.00 C ATOM 0 H ALA A 18 -6.045 -7.289 -7.863 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.057 -9.680 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -4.842 -9.549 -10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.717 -8.004 -10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.412 -8.195 -9.138 1.00 0.00 H new ATOM 249 N GLY A 19 -4.875 -9.981 -6.739 1.00 0.00 N ATOM 250 CA GLY A 19 -4.263 -10.944 -5.864 1.00 0.00 C ATOM 251 C GLY A 19 -5.208 -11.629 -4.920 1.00 0.00 C ATOM 252 O GLY A 19 -5.098 -12.811 -4.712 1.00 0.00 O ATOM 0 H GLY A 19 -4.589 -9.023 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.766 -11.701 -6.471 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.489 -10.444 -5.282 1.00 0.00 H new ATOM 256 N GLY A 20 -6.169 -10.909 -4.367 1.00 0.00 N ATOM 257 CA GLY A 20 -7.145 -11.423 -3.444 1.00 0.00 C ATOM 258 C GLY A 20 -6.754 -11.306 -1.992 1.00 0.00 C ATOM 259 O GLY A 20 -7.157 -12.133 -1.201 1.00 0.00 O ATOM 0 H GLY A 20 -6.288 -9.915 -4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.086 -10.894 -3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.328 -12.473 -3.675 1.00 0.00 H new ATOM 263 N PHE A 21 -5.964 -10.295 -1.658 1.00 0.00 N ATOM 264 CA PHE A 21 -5.586 -9.957 -0.306 1.00 0.00 C ATOM 265 C PHE A 21 -6.740 -9.566 0.592 1.00 0.00 C ATOM 266 O PHE A 21 -7.816 -9.381 0.168 1.00 0.00 O ATOM 267 CB PHE A 21 -4.559 -8.835 -0.357 1.00 0.00 C ATOM 268 CG PHE A 21 -3.356 -8.977 -1.247 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.460 -8.653 -2.599 1.00 0.00 C ATOM 270 CD2 PHE A 21 -2.090 -9.207 -0.714 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.348 -8.285 -3.356 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.955 -8.959 -1.481 1.00 0.00 C ATOM 273 CZ PHE A 21 -1.098 -8.450 -2.772 1.00 0.00 C ATOM 0 H PHE A 21 -5.557 -9.668 -2.352 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.171 -10.861 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.082 -7.926 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -4.198 -8.676 0.659 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.429 -8.688 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.989 -9.578 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.454 -7.888 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.028 -9.159 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.215 -8.177 -3.331 1.00 0.00 H new HETATM 283 N NH2 A 22 -6.522 -9.344 1.867 1.00 0.00 N TER 286 NH2 A 22 HETATM 287 C ACE B 23 -2.324 -13.297 -1.804 1.00 0.00 C HETATM 288 O ACE B 23 -1.884 -12.623 -2.712 1.00 0.00 O HETATM 289 CH3 ACE B 23 -3.588 -14.086 -1.995 1.00 0.00 C HETATM 0 H1 ACE B 23 -3.382 -15.146 -1.844 1.00 0.00 H new HETATM 0 H2 ACE B 23 -4.336 -13.755 -1.274 1.00 0.00 H new HETATM 0 H3 ACE B 23 -3.965 -13.930 -3.006 1.00 0.00 H new ATOM 293 N ALA B 24 -1.673 -13.455 -0.663 1.00 0.00 N ATOM 294 CA ALA B 24 -0.335 -12.958 -0.483 1.00 0.00 C ATOM 295 C ALA B 24 0.698 -13.525 -1.441 1.00 0.00 C ATOM 296 O ALA B 24 1.816 -13.044 -1.515 1.00 0.00 O ATOM 297 CB ALA B 24 0.085 -13.223 0.944 1.00 0.00 C ATOM 0 H ALA B 24 -2.060 -13.928 0.153 1.00 0.00 H new ATOM 0 HA ALA B 24 -0.369 -11.892 -0.708 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.098 -12.853 1.100 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -0.597 -12.713 1.625 1.00 0.00 H new ATOM 0 HB3 ALA B 24 0.057 -14.295 1.138 1.00 0.00 H new ATOM 303 N LYS B 25 0.357 -14.548 -2.215 1.00 0.00 N ATOM 304 CA LYS B 25 1.048 -14.915 -3.421 1.00 0.00 C ATOM 305 C LYS B 25 1.375 -13.756 -4.339 1.00 0.00 C ATOM 306 O LYS B 25 2.406 -13.763 -4.988 1.00 0.00 O ATOM 307 CB LYS B 25 0.285 -15.928 -4.236 1.00 0.00 C ATOM 308 CG LYS B 25 0.016 -17.211 -3.518 1.00 0.00 C ATOM 309 CD LYS B 25 -0.621 -18.291 -4.351 1.00 0.00 C ATOM 310 CE LYS B 25 -2.022 -17.979 -4.701 1.00 0.00 C ATOM 311 NZ LYS B 25 -2.623 -19.010 -5.446 1.00 0.00 N ATOM 0 H LYS B 25 -0.434 -15.157 -2.005 1.00 0.00 H new ATOM 0 HA LYS B 25 1.981 -15.337 -3.048 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.665 -15.490 -4.543 1.00 0.00 H new ATOM 0 HB3 LYS B 25 0.846 -16.144 -5.145 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.957 -17.590 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.631 -17.003 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -0.043 -18.430 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS B 25 -0.587 -19.234 -3.806 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -2.594 -17.810 -3.789 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.054 -17.052 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -3.605 -18.750 -5.670 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.093 -19.154 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -2.616 -19.889 -4.890 1.00 0.00 H new ATOM 325 N ALA B 26 0.522 -12.743 -4.366 1.00 0.00 N ATOM 326 CA ALA B 26 0.600 -11.509 -5.107 1.00 0.00 C ATOM 327 C ALA B 26 1.425 -10.425 -4.446 1.00 0.00 C ATOM 328 O ALA B 26 1.544 -9.347 -4.997 1.00 0.00 O ATOM 329 CB ALA B 26 -0.806 -11.018 -5.344 1.00 0.00 C ATOM 0 H ALA B 26 -0.330 -12.777 -3.807 1.00 0.00 H new ATOM 0 HA ALA B 26 1.119 -11.727 -6.040 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.775 -10.083 -5.904 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -1.361 -11.764 -5.913 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -1.299 -10.851 -4.386 1.00 0.00 H new ATOM 335 N ALA B 27 1.991 -10.672 -3.268 1.00 0.00 N ATOM 336 CA ALA B 27 2.556 -9.650 -2.421 1.00 0.00 C ATOM 337 C ALA B 27 3.708 -8.882 -3.039 1.00 0.00 C ATOM 338 O ALA B 27 3.586 -7.680 -3.230 1.00 0.00 O ATOM 339 CB ALA B 27 2.868 -10.180 -1.041 1.00 0.00 C ATOM 0 H ALA B 27 2.066 -11.611 -2.876 1.00 0.00 H new ATOM 0 HA ALA B 27 1.774 -8.898 -2.310 1.00 0.00 H new ATOM 0 HB1 ALA B 27 3.292 -9.382 -0.432 1.00 0.00 H new ATOM 0 HB2 ALA B 27 1.952 -10.544 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA B 27 3.585 -10.997 -1.119 1.00 0.00 H new ATOM 345 N ALA B 28 4.802 -9.540 -3.392 1.00 0.00 N ATOM 346 CA ALA B 28 5.962 -8.893 -3.939 1.00 0.00 C ATOM 347 C ALA B 28 5.603 -7.971 -5.085 1.00 0.00 C ATOM 348 O ALA B 28 5.957 -6.801 -5.045 1.00 0.00 O ATOM 349 CB ALA B 28 7.009 -9.933 -4.279 1.00 0.00 C ATOM 0 H ALA B 28 4.900 -10.551 -3.301 1.00 0.00 H new ATOM 0 HA ALA B 28 6.402 -8.235 -3.190 1.00 0.00 H new ATOM 0 HB1 ALA B 28 7.889 -9.441 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.289 -10.476 -3.376 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.604 -10.631 -5.012 1.00 0.00 H new ATOM 355 N ALA B 29 4.776 -8.450 -6.002 1.00 0.00 N ATOM 356 CA ALA B 29 4.294 -7.671 -7.119 1.00 0.00 C ATOM 357 C ALA B 29 3.490 -6.445 -6.743 1.00 0.00 C ATOM 358 O ALA B 29 3.656 -5.405 -7.353 1.00 0.00 O ATOM 359 CB ALA B 29 3.512 -8.547 -8.072 1.00 0.00 C ATOM 0 H ALA B 29 4.419 -9.405 -5.986 1.00 0.00 H new ATOM 0 HA ALA B 29 5.188 -7.285 -7.609 1.00 0.00 H new ATOM 0 HB1 ALA B 29 3.155 -7.946 -8.909 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.156 -9.343 -8.446 1.00 0.00 H new ATOM 0 HB3 ALA B 29 2.661 -8.984 -7.550 1.00 0.00 H new ATOM 365 N ALA B 30 2.667 -6.502 -5.716 1.00 0.00 N ATOM 366 CA ALA B 30 1.914 -5.350 -5.283 1.00 0.00 C ATOM 367 C ALA B 30 2.765 -4.347 -4.531 1.00 0.00 C ATOM 368 O ALA B 30 2.687 -3.150 -4.756 1.00 0.00 O ATOM 369 CB ALA B 30 0.752 -5.839 -4.435 1.00 0.00 C ATOM 0 H ALA B 30 2.504 -7.344 -5.163 1.00 0.00 H new ATOM 0 HA ALA B 30 1.544 -4.818 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.166 -4.986 -4.094 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.120 -6.499 -5.029 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.135 -6.384 -3.572 1.00 0.00 H new ATOM 375 N ILE B 31 3.569 -4.862 -3.601 1.00 0.00 N ATOM 376 CA ILE B 31 4.340 -4.059 -2.683 1.00 0.00 C ATOM 377 C ILE B 31 5.434 -3.307 -3.418 1.00 0.00 C ATOM 378 O ILE B 31 5.680 -2.143 -3.127 1.00 0.00 O ATOM 379 CB ILE B 31 4.929 -4.913 -1.570 1.00 0.00 C ATOM 380 CG1 ILE B 31 3.888 -5.717 -0.806 1.00 0.00 C ATOM 381 CG2 ILE B 31 5.725 -3.986 -0.668 1.00 0.00 C ATOM 382 CD1 ILE B 31 3.024 -4.941 0.171 1.00 0.00 C ATOM 0 H ILE B 31 3.697 -5.866 -3.471 1.00 0.00 H new ATOM 0 HA ILE B 31 3.669 -3.331 -2.228 1.00 0.00 H new ATOM 0 HB ILE B 31 5.578 -5.675 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE B 31 3.234 -6.204 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.401 -6.507 -0.257 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.166 -4.561 0.146 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.517 -3.508 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.064 -3.223 -0.257 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.321 -5.620 0.654 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.657 -4.476 0.927 1.00 0.00 H new ATOM 0 HD13 ILE B 31 2.472 -4.169 -0.365 1.00 0.00 H new ATOM 394 N LYS B 32 6.052 -3.925 -4.420 1.00 0.00 N ATOM 395 CA LYS B 32 7.009 -3.268 -5.277 1.00 0.00 C ATOM 396 C LYS B 32 6.399 -2.091 -6.013 1.00 0.00 C ATOM 397 O LYS B 32 6.966 -1.016 -6.025 1.00 0.00 O ATOM 398 CB LYS B 32 7.550 -4.326 -6.223 1.00 0.00 C ATOM 399 CG LYS B 32 8.585 -5.226 -5.563 1.00 0.00 C ATOM 400 CD LYS B 32 9.054 -6.242 -6.578 1.00 0.00 C ATOM 401 CE LYS B 32 10.019 -7.216 -5.965 1.00 0.00 C ATOM 402 NZ LYS B 32 10.398 -8.260 -6.897 1.00 0.00 N ATOM 0 H LYS B 32 5.895 -4.905 -4.655 1.00 0.00 H new ATOM 0 HA LYS B 32 7.820 -2.838 -4.689 1.00 0.00 H new ATOM 0 HB2 LYS B 32 6.725 -4.936 -6.590 1.00 0.00 H new ATOM 0 HB3 LYS B 32 7.997 -3.839 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS B 32 9.427 -4.634 -5.203 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.154 -5.727 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS B 32 8.196 -6.780 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS B 32 9.531 -5.731 -7.414 1.00 0.00 H new ATOM 0 HE2 LYS B 32 10.911 -6.684 -5.634 1.00 0.00 H new ATOM 0 HE3 LYS B 32 9.568 -7.665 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 11.065 -8.912 -6.436 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 9.551 -8.785 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 10.851 -7.834 -7.730 1.00 0.00 H new ATOM 416 N ALA B 33 5.172 -2.241 -6.484 1.00 0.00 N ATOM 417 CA ALA B 33 4.374 -1.196 -7.081 1.00 0.00 C ATOM 418 C ALA B 33 3.902 -0.099 -6.145 1.00 0.00 C ATOM 419 O ALA B 33 3.310 0.867 -6.597 1.00 0.00 O ATOM 420 CB ALA B 33 3.229 -1.846 -7.836 1.00 0.00 C ATOM 0 H ALA B 33 4.688 -3.138 -6.457 1.00 0.00 H new ATOM 0 HA ALA B 33 5.028 -0.649 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA B 33 2.612 -1.074 -8.296 1.00 0.00 H new ATOM 0 HB2 ALA B 33 3.629 -2.500 -8.611 1.00 0.00 H new ATOM 0 HB3 ALA B 33 2.623 -2.431 -7.144 1.00 0.00 H new ATOM 426 N ILE B 34 4.184 -0.170 -4.850 1.00 0.00 N ATOM 427 CA ILE B 34 4.040 0.956 -3.954 1.00 0.00 C ATOM 428 C ILE B 34 5.364 1.372 -3.333 1.00 0.00 C ATOM 429 O ILE B 34 5.688 2.550 -3.392 1.00 0.00 O ATOM 430 CB ILE B 34 2.859 0.760 -3.014 1.00 0.00 C ATOM 431 CG1 ILE B 34 2.656 2.036 -2.244 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.064 -0.363 -2.024 1.00 0.00 C ATOM 433 CD1 ILE B 34 1.397 2.147 -1.418 1.00 0.00 C ATOM 0 H ILE B 34 4.521 -1.019 -4.395 1.00 0.00 H new ATOM 0 HA ILE B 34 3.767 1.844 -4.524 1.00 0.00 H new ATOM 0 HB ILE B 34 1.995 0.500 -3.625 1.00 0.00 H new ATOM 0 HG12 ILE B 34 3.510 2.170 -1.580 1.00 0.00 H new ATOM 0 HG13 ILE B 34 2.670 2.865 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.186 -0.449 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE B 34 3.214 -1.299 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.940 -0.152 -1.411 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.376 3.114 -0.915 1.00 0.00 H new ATOM 0 HD12 ILE B 34 0.526 2.056 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE B 34 1.379 1.351 -0.674 1.00 0.00 H new ATOM 445 N ALA B 35 6.173 0.494 -2.743 1.00 0.00 N ATOM 446 CA ALA B 35 7.315 0.903 -1.966 1.00 0.00 C ATOM 447 C ALA B 35 8.386 1.629 -2.753 1.00 0.00 C ATOM 448 O ALA B 35 9.063 2.518 -2.255 1.00 0.00 O ATOM 449 CB ALA B 35 7.868 -0.312 -1.242 1.00 0.00 C ATOM 0 H ALA B 35 6.046 -0.517 -2.797 1.00 0.00 H new ATOM 0 HA ALA B 35 6.972 1.648 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.734 -0.019 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.102 -0.725 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.166 -1.066 -1.971 1.00 0.00 H new ATOM 455 N ALA B 36 8.480 1.330 -4.046 1.00 0.00 N ATOM 456 CA ALA B 36 9.389 1.981 -4.961 1.00 0.00 C ATOM 457 C ALA B 36 8.882 3.315 -5.480 1.00 0.00 C ATOM 458 O ALA B 36 9.623 4.162 -5.928 1.00 0.00 O ATOM 459 CB ALA B 36 9.674 1.018 -6.099 1.00 0.00 C ATOM 0 H ALA B 36 7.909 0.610 -4.489 1.00 0.00 H new ATOM 0 HA ALA B 36 10.304 2.225 -4.420 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.359 1.484 -6.807 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.125 0.109 -5.702 1.00 0.00 H new ATOM 0 HB3 ALA B 36 8.742 0.769 -6.607 1.00 0.00 H new ATOM 465 N ILE B 37 7.580 3.519 -5.431 1.00 0.00 N ATOM 466 CA ILE B 37 6.882 4.741 -5.758 1.00 0.00 C ATOM 467 C ILE B 37 6.888 5.649 -4.544 1.00 0.00 C ATOM 468 O ILE B 37 7.139 6.834 -4.665 1.00 0.00 O ATOM 469 CB ILE B 37 5.503 4.414 -6.284 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.510 3.708 -7.621 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.699 5.687 -6.461 1.00 0.00 C ATOM 472 CD1 ILE B 37 6.062 2.318 -7.684 1.00 0.00 C ATOM 0 H ILE B 37 6.939 2.780 -5.141 1.00 0.00 H new ATOM 0 HA ILE B 37 7.383 5.287 -6.558 1.00 0.00 H new ATOM 0 HB ILE B 37 5.064 3.746 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE B 37 4.483 3.675 -7.986 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.077 4.323 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.707 5.441 -6.840 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.605 6.194 -5.501 1.00 0.00 H new ATOM 0 HG23 ILE B 37 5.206 6.342 -7.169 1.00 0.00 H new ATOM 0 HD11 ILE B 37 5.998 1.947 -8.707 1.00 0.00 H new ATOM 0 HD12 ILE B 37 7.104 2.326 -7.365 1.00 0.00 H new ATOM 0 HD13 ILE B 37 5.486 1.668 -7.026 1.00 0.00 H new ATOM 484 N ILE B 38 6.712 5.100 -3.343 1.00 0.00 N ATOM 485 CA ILE B 38 6.886 5.759 -2.069 1.00 0.00 C ATOM 486 C ILE B 38 8.250 6.413 -1.948 1.00 0.00 C ATOM 487 O ILE B 38 8.344 7.584 -1.616 1.00 0.00 O ATOM 488 CB ILE B 38 6.556 4.848 -0.897 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.044 4.659 -0.887 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.003 5.415 0.443 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.497 3.850 0.278 1.00 0.00 C ATOM 0 H ILE B 38 6.428 4.126 -3.238 1.00 0.00 H new ATOM 0 HA ILE B 38 6.158 6.569 -2.028 1.00 0.00 H new ATOM 0 HB ILE B 38 7.091 3.907 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE B 38 4.572 5.641 -0.879 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.749 4.171 -1.816 1.00 0.00 H new ATOM 0 HG21 ILE B 38 6.739 4.719 1.239 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.083 5.563 0.433 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.508 6.370 0.617 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.413 3.774 0.191 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.933 2.851 0.264 1.00 0.00 H new ATOM 0 HD13 ILE B 38 4.752 4.344 1.216 1.00 0.00 H new ATOM 503 N LYS B 39 9.297 5.663 -2.278 1.00 0.00 N ATOM 504 CA LYS B 39 10.667 6.102 -2.374 1.00 0.00 C ATOM 505 C LYS B 39 10.878 7.325 -3.240 1.00 0.00 C ATOM 506 O LYS B 39 11.771 8.106 -2.948 1.00 0.00 O ATOM 507 CB LYS B 39 11.455 4.892 -2.832 1.00 0.00 C ATOM 508 CG LYS B 39 12.904 5.085 -3.203 1.00 0.00 C ATOM 509 CD LYS B 39 13.767 5.461 -2.034 1.00 0.00 C ATOM 510 CE LYS B 39 14.793 6.200 -2.307 1.00 0.00 C ATOM 511 NZ LYS B 39 15.774 6.634 -1.535 1.00 0.00 N ATOM 0 H LYS B 39 9.195 4.672 -2.497 1.00 0.00 H new ATOM 0 HA LYS B 39 11.016 6.456 -1.404 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.411 4.146 -2.039 1.00 0.00 H new ATOM 0 HB3 LYS B 39 10.943 4.469 -3.696 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.285 4.165 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS B 39 12.977 5.861 -3.965 1.00 0.00 H new ATOM 0 HD2 LYS B 39 13.150 5.985 -1.304 1.00 0.00 H new ATOM 0 HD3 LYS B 39 14.118 4.546 -1.557 1.00 0.00 H new ATOM 0 HE2 LYS B 39 15.299 5.672 -3.115 1.00 0.00 H new ATOM 0 HE3 LYS B 39 14.366 7.106 -2.737 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 16.431 7.210 -2.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 15.380 7.212 -0.765 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 16.284 5.822 -1.132 1.00 0.00 H new ATOM 525 N ALA B 40 10.038 7.544 -4.244 1.00 0.00 N ATOM 526 CA ALA B 40 9.981 8.761 -4.998 1.00 0.00 C ATOM 527 C ALA B 40 9.073 9.802 -4.395 1.00 0.00 C ATOM 528 O ALA B 40 9.464 10.939 -4.241 1.00 0.00 O ATOM 529 CB ALA B 40 9.589 8.423 -6.405 1.00 0.00 C ATOM 0 H ALA B 40 9.361 6.848 -4.555 1.00 0.00 H new ATOM 0 HA ALA B 40 10.969 9.222 -4.983 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.539 9.336 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.329 7.749 -6.837 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.613 7.937 -6.404 1.00 0.00 H new ATOM 535 N GLY B 41 7.854 9.460 -4.017 1.00 0.00 N ATOM 536 CA GLY B 41 6.835 10.343 -3.532 1.00 0.00 C ATOM 537 C GLY B 41 7.154 11.023 -2.222 1.00 0.00 C ATOM 538 O GLY B 41 6.855 12.187 -2.098 1.00 0.00 O ATOM 0 H GLY B 41 7.540 8.490 -4.047 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.649 11.108 -4.286 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.910 9.778 -3.416 1.00 0.00 H new ATOM 542 N GLY B 42 7.724 10.361 -1.224 1.00 0.00 N ATOM 543 CA GLY B 42 7.933 10.936 0.083 1.00 0.00 C ATOM 544 C GLY B 42 6.640 11.140 0.849 1.00 0.00 C ATOM 545 O GLY B 42 6.338 12.225 1.292 1.00 0.00 O ATOM 0 H GLY B 42 8.055 9.400 -1.308 1.00 0.00 H new ATOM 0 HA2 GLY B 42 8.593 10.287 0.659 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.442 11.894 -0.024 1.00 0.00 H new ATOM 549 N PHE B 43 5.855 10.091 0.966 1.00 0.00 N ATOM 550 CA PHE B 43 4.530 10.044 1.524 1.00 0.00 C ATOM 551 C PHE B 43 4.508 10.212 3.017 1.00 0.00 C ATOM 552 O PHE B 43 3.877 11.070 3.520 1.00 0.00 O ATOM 553 CB PHE B 43 3.910 8.715 1.135 1.00 0.00 C ATOM 554 CG PHE B 43 3.452 8.576 -0.292 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.353 8.135 -1.259 1.00 0.00 C ATOM 556 CD2 PHE B 43 2.111 8.719 -0.628 1.00 0.00 C ATOM 557 CE1 PHE B 43 3.910 7.679 -2.503 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.664 8.298 -1.883 1.00 0.00 C ATOM 559 CZ PHE B 43 2.560 7.756 -2.806 1.00 0.00 C ATOM 0 H PHE B 43 6.159 9.172 0.644 1.00 0.00 H new ATOM 0 HA PHE B 43 3.960 10.882 1.124 1.00 0.00 H new ATOM 0 HB2 PHE B 43 4.636 7.928 1.338 1.00 0.00 H new ATOM 0 HB3 PHE B 43 3.055 8.535 1.786 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.411 8.146 -1.043 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.418 9.153 0.077 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.610 7.272 -3.218 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.619 8.392 -2.140 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.200 7.396 -3.758 1.00 0.00 H new HETATM 569 N NH2 B 44 5.202 9.383 3.749 1.00 0.00 N TER 572 NH2 B 44 HETATM 573 C ACE C 45 -7.291 10.870 -0.995 1.00 0.00 C HETATM 574 O ACE C 45 -7.255 10.284 0.073 1.00 0.00 O HETATM 575 CH3 ACE C 45 -8.601 11.131 -1.681 1.00 0.00 C HETATM 0 H1 ACE C 45 -8.740 12.205 -1.803 1.00 0.00 H new HETATM 0 H2 ACE C 45 -8.601 10.652 -2.660 1.00 0.00 H new HETATM 0 H3 ACE C 45 -9.414 10.726 -1.079 1.00 0.00 H new ATOM 579 N ALA C 46 -6.232 11.452 -1.529 1.00 0.00 N ATOM 580 CA ALA C 46 -4.950 11.512 -0.876 1.00 0.00 C ATOM 581 C ALA C 46 -4.953 12.395 0.353 1.00 0.00 C ATOM 582 O ALA C 46 -3.950 12.473 1.045 1.00 0.00 O ATOM 583 CB ALA C 46 -3.881 11.889 -1.878 1.00 0.00 C ATOM 0 H ALA C 46 -6.246 11.902 -2.444 1.00 0.00 H new ATOM 0 HA ALA C 46 -4.717 10.518 -0.494 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -2.913 11.933 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -3.846 11.142 -2.671 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.112 12.864 -2.307 1.00 0.00 H new ATOM 589 N LYS C 47 -6.082 12.989 0.724 1.00 0.00 N ATOM 590 CA LYS C 47 -6.380 13.454 2.059 1.00 0.00 C ATOM 591 C LYS C 47 -6.054 12.442 3.138 1.00 0.00 C ATOM 592 O LYS C 47 -5.587 12.807 4.195 1.00 0.00 O ATOM 593 CB LYS C 47 -7.838 13.856 2.154 1.00 0.00 C ATOM 594 CG LYS C 47 -8.210 15.005 1.252 1.00 0.00 C ATOM 595 CD LYS C 47 -9.644 15.411 1.445 1.00 0.00 C ATOM 596 CE LYS C 47 -10.073 16.461 0.477 1.00 0.00 C ATOM 597 NZ LYS C 47 -11.422 16.889 0.719 1.00 0.00 N ATOM 0 H LYS C 47 -6.843 13.164 0.068 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.737 14.316 2.236 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.460 12.996 1.907 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -8.064 14.127 3.185 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -7.559 15.855 1.456 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -8.047 14.721 0.212 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -10.284 14.536 1.335 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -9.781 15.780 2.461 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -9.402 17.317 0.548 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -9.991 16.075 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -11.684 17.619 0.026 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -12.066 16.077 0.627 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -11.495 17.281 1.680 1.00 0.00 H new ATOM 611 N ALA C 48 -6.253 11.163 2.857 1.00 0.00 N ATOM 612 CA ALA C 48 -5.992 10.031 3.713 1.00 0.00 C ATOM 613 C ALA C 48 -4.574 9.502 3.633 1.00 0.00 C ATOM 614 O ALA C 48 -4.284 8.539 4.320 1.00 0.00 O ATOM 615 CB ALA C 48 -6.999 8.979 3.273 1.00 0.00 C ATOM 0 H ALA C 48 -6.630 10.875 1.954 1.00 0.00 H new ATOM 0 HA ALA C 48 -6.096 10.318 4.760 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -6.871 8.079 3.875 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.010 9.364 3.407 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -6.838 8.739 2.222 1.00 0.00 H new ATOM 621 N ALA C 49 -3.723 10.023 2.755 1.00 0.00 N ATOM 622 CA ALA C 49 -2.481 9.383 2.392 1.00 0.00 C ATOM 623 C ALA C 49 -1.452 9.330 3.500 1.00 0.00 C ATOM 624 O ALA C 49 -1.033 8.242 3.837 1.00 0.00 O ATOM 625 CB ALA C 49 -1.949 9.991 1.110 1.00 0.00 C ATOM 0 H ALA C 49 -3.885 10.909 2.276 1.00 0.00 H new ATOM 0 HA ALA C 49 -2.703 8.331 2.213 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.011 9.506 0.839 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -2.676 9.848 0.311 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -1.776 11.057 1.257 1.00 0.00 H new ATOM 631 N ALA C 50 -1.137 10.423 4.185 1.00 0.00 N ATOM 632 CA ALA C 50 -0.197 10.416 5.277 1.00 0.00 C ATOM 633 C ALA C 50 -0.597 9.461 6.374 1.00 0.00 C ATOM 634 O ALA C 50 0.198 8.835 6.919 1.00 0.00 O ATOM 635 CB ALA C 50 0.048 11.817 5.774 1.00 0.00 C ATOM 0 H ALA C 50 -1.535 11.342 3.989 1.00 0.00 H new ATOM 0 HA ALA C 50 0.753 10.036 4.900 1.00 0.00 H new ATOM 0 HB1 ALA C 50 0.760 11.791 6.599 1.00 0.00 H new ATOM 0 HB2 ALA C 50 0.452 12.425 4.964 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -0.891 12.250 6.119 1.00 0.00 H new ATOM 641 N ALA C 51 -1.838 9.300 6.685 1.00 0.00 N ATOM 642 CA ALA C 51 -2.342 8.282 7.570 1.00 0.00 C ATOM 643 C ALA C 51 -2.280 6.871 7.036 1.00 0.00 C ATOM 644 O ALA C 51 -1.865 5.987 7.757 1.00 0.00 O ATOM 645 CB ALA C 51 -3.748 8.634 8.005 1.00 0.00 C ATOM 0 H ALA C 51 -2.574 9.901 6.314 1.00 0.00 H new ATOM 0 HA ALA C 51 -1.666 8.276 8.425 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -4.126 7.861 8.675 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -3.739 9.592 8.525 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.393 8.703 7.129 1.00 0.00 H new ATOM 651 N ALA C 52 -2.580 6.621 5.770 1.00 0.00 N ATOM 652 CA ALA C 52 -2.605 5.281 5.233 1.00 0.00 C ATOM 653 C ALA C 52 -1.214 4.711 5.060 1.00 0.00 C ATOM 654 O ALA C 52 -0.927 3.547 5.294 1.00 0.00 O ATOM 655 CB ALA C 52 -3.310 5.347 3.896 1.00 0.00 C ATOM 0 H ALA C 52 -2.812 7.346 5.091 1.00 0.00 H new ATOM 0 HA ALA C 52 -3.126 4.622 5.927 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -3.350 4.351 3.456 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.324 5.722 4.037 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -2.765 6.016 3.230 1.00 0.00 H new ATOM 661 N ILE C 53 -0.349 5.592 4.584 1.00 0.00 N ATOM 662 CA ILE C 53 0.975 5.216 4.146 1.00 0.00 C ATOM 663 C ILE C 53 1.901 5.065 5.338 1.00 0.00 C ATOM 664 O ILE C 53 2.704 4.146 5.371 1.00 0.00 O ATOM 665 CB ILE C 53 1.498 6.255 3.166 1.00 0.00 C ATOM 666 CG1 ILE C 53 0.610 6.520 1.964 1.00 0.00 C ATOM 667 CG2 ILE C 53 2.889 5.830 2.722 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.671 5.573 0.780 1.00 0.00 C ATOM 0 H ILE C 53 -0.550 6.588 4.492 1.00 0.00 H new ATOM 0 HA ILE C 53 0.932 4.252 3.638 1.00 0.00 H new ATOM 0 HB ILE C 53 1.515 7.207 3.697 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -0.422 6.541 2.315 1.00 0.00 H new ATOM 0 HG13 ILE C 53 0.842 7.520 1.598 1.00 0.00 H new ATOM 0 HG21 ILE C 53 3.285 6.561 2.017 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.545 5.770 3.590 1.00 0.00 H new ATOM 0 HG23 ILE C 53 2.835 4.854 2.240 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.025 5.907 0.011 1.00 0.00 H new ATOM 0 HD12 ILE C 53 1.683 5.562 0.374 1.00 0.00 H new ATOM 0 HD13 ILE C 53 0.399 4.568 1.103 1.00 0.00 H new ATOM 680 N LYS C 54 1.751 5.910 6.357 1.00 0.00 N ATOM 681 CA LYS C 54 2.518 5.826 7.579 1.00 0.00 C ATOM 682 C LYS C 54 2.261 4.592 8.417 1.00 0.00 C ATOM 683 O LYS C 54 3.143 4.191 9.135 1.00 0.00 O ATOM 684 CB LYS C 54 2.253 7.066 8.414 1.00 0.00 C ATOM 685 CG LYS C 54 3.020 8.312 8.014 1.00 0.00 C ATOM 686 CD LYS C 54 4.471 8.222 8.291 1.00 0.00 C ATOM 687 CE LYS C 54 5.298 9.419 7.949 1.00 0.00 C ATOM 688 NZ LYS C 54 5.207 10.467 8.899 1.00 0.00 N ATOM 0 H LYS C 54 1.082 6.680 6.348 1.00 0.00 H new ATOM 0 HA LYS C 54 3.561 5.755 7.271 1.00 0.00 H new ATOM 0 HB2 LYS C 54 1.187 7.289 8.369 1.00 0.00 H new ATOM 0 HB3 LYS C 54 2.487 6.837 9.454 1.00 0.00 H new ATOM 0 HG2 LYS C 54 2.871 8.495 6.950 1.00 0.00 H new ATOM 0 HG3 LYS C 54 2.608 9.170 8.546 1.00 0.00 H new ATOM 0 HD2 LYS C 54 4.602 8.011 9.352 1.00 0.00 H new ATOM 0 HD3 LYS C 54 4.869 7.367 7.744 1.00 0.00 H new ATOM 0 HE2 LYS C 54 6.340 9.114 7.856 1.00 0.00 H new ATOM 0 HE3 LYS C 54 4.989 9.797 6.974 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 5.805 11.262 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 4.219 10.785 8.972 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 5.529 10.124 9.826 1.00 0.00 H new ATOM 702 N ALA C 55 1.111 3.947 8.294 1.00 0.00 N ATOM 703 CA ALA C 55 0.953 2.558 8.649 1.00 0.00 C ATOM 704 C ALA C 55 1.813 1.674 7.766 1.00 0.00 C ATOM 705 O ALA C 55 2.778 1.078 8.211 1.00 0.00 O ATOM 706 CB ALA C 55 -0.527 2.218 8.619 1.00 0.00 C ATOM 0 H ALA C 55 0.259 4.382 7.942 1.00 0.00 H new ATOM 0 HA ALA C 55 1.309 2.371 9.662 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -0.665 1.170 8.885 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -1.059 2.847 9.333 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -0.920 2.393 7.618 1.00 0.00 H new ATOM 712 N ILE C 56 1.487 1.589 6.478 1.00 0.00 N ATOM 713 CA ILE C 56 1.984 0.556 5.603 1.00 0.00 C ATOM 714 C ILE C 56 3.486 0.629 5.403 1.00 0.00 C ATOM 715 O ILE C 56 4.123 -0.405 5.493 1.00 0.00 O ATOM 716 CB ILE C 56 1.171 0.457 4.330 1.00 0.00 C ATOM 717 CG1 ILE C 56 1.234 -0.895 3.820 1.00 0.00 C ATOM 718 CG2 ILE C 56 1.562 1.410 3.250 1.00 0.00 C ATOM 719 CD1 ILE C 56 1.353 -1.560 2.843 1.00 0.00 C ATOM 0 H ILE C 56 0.861 2.249 6.017 1.00 0.00 H new ATOM 0 HA ILE C 56 1.836 -0.401 6.104 1.00 0.00 H new ATOM 0 HB ILE C 56 0.156 0.735 4.613 1.00 0.00 H new ATOM 0 HG12 ILE C 56 2.043 -1.297 4.430 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.303 -1.298 4.219 1.00 0.00 H new ATOM 0 HG21 ILE C 56 0.921 1.259 2.382 1.00 0.00 H new ATOM 0 HG22 ILE C 56 1.451 2.433 3.610 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.600 1.235 2.969 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.321 -2.615 3.115 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.540 -1.339 2.151 1.00 0.00 H new ATOM 0 HD13 ILE C 56 2.307 -1.337 2.365 1.00 0.00 H new ATOM 731 N ALA C 57 4.118 1.789 5.245 1.00 0.00 N ATOM 732 CA ALA C 57 5.554 1.866 5.127 1.00 0.00 C ATOM 733 C ALA C 57 6.308 1.493 6.387 1.00 0.00 C ATOM 734 O ALA C 57 7.426 1.030 6.306 1.00 0.00 O ATOM 735 CB ALA C 57 5.942 3.254 4.647 1.00 0.00 C ATOM 0 H ALA C 57 3.644 2.691 5.197 1.00 0.00 H new ATOM 0 HA ALA C 57 5.850 1.114 4.396 1.00 0.00 H new ATOM 0 HB1 ALA C 57 7.026 3.318 4.556 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.485 3.444 3.676 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.594 3.997 5.364 1.00 0.00 H new ATOM 741 N ALA C 58 5.689 1.624 7.550 1.00 0.00 N ATOM 742 CA ALA C 58 6.211 1.221 8.835 1.00 0.00 C ATOM 743 C ALA C 58 6.035 -0.267 9.071 1.00 0.00 C ATOM 744 O ALA C 58 6.898 -0.906 9.635 1.00 0.00 O ATOM 745 CB ALA C 58 5.507 2.039 9.896 1.00 0.00 C ATOM 0 H ALA C 58 4.759 2.037 7.620 1.00 0.00 H new ATOM 0 HA ALA C 58 7.285 1.405 8.873 1.00 0.00 H new ATOM 0 HB1 ALA C 58 5.881 1.757 10.880 1.00 0.00 H new ATOM 0 HB2 ALA C 58 5.698 3.098 9.725 1.00 0.00 H new ATOM 0 HB3 ALA C 58 4.434 1.852 9.848 1.00 0.00 H new ATOM 751 N ILE C 59 4.930 -0.835 8.610 1.00 0.00 N ATOM 752 CA ILE C 59 4.626 -2.248 8.620 1.00 0.00 C ATOM 753 C ILE C 59 5.536 -2.957 7.632 1.00 0.00 C ATOM 754 O ILE C 59 6.065 -3.999 7.979 1.00 0.00 O ATOM 755 CB ILE C 59 3.142 -2.465 8.370 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.261 -1.853 9.447 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.829 -3.944 8.240 1.00 0.00 C ATOM 758 CD1 ILE C 59 0.840 -1.567 8.999 1.00 0.00 C ATOM 0 H ILE C 59 4.180 -0.283 8.195 1.00 0.00 H new ATOM 0 HA ILE C 59 4.824 -2.686 9.598 1.00 0.00 H new ATOM 0 HB ILE C 59 2.916 -1.954 7.434 1.00 0.00 H new ATOM 0 HG12 ILE C 59 2.232 -2.527 10.303 1.00 0.00 H new ATOM 0 HG13 ILE C 59 2.716 -0.924 9.789 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.762 -4.076 8.062 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.391 -4.363 7.405 1.00 0.00 H new ATOM 0 HG23 ILE C 59 3.109 -4.457 9.160 1.00 0.00 H new ATOM 0 HD11 ILE C 59 0.278 -1.132 9.826 1.00 0.00 H new ATOM 0 HD12 ILE C 59 0.856 -0.867 8.163 1.00 0.00 H new ATOM 0 HD13 ILE C 59 0.363 -2.496 8.686 1.00 0.00 H new ATOM 770 N ILE C 60 5.799 -2.397 6.456 1.00 0.00 N ATOM 771 CA ILE C 60 6.807 -2.807 5.502 1.00 0.00 C ATOM 772 C ILE C 60 8.205 -2.881 6.082 1.00 0.00 C ATOM 773 O ILE C 60 8.820 -3.932 5.983 1.00 0.00 O ATOM 774 CB ILE C 60 6.717 -1.995 4.215 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.453 -2.433 3.487 1.00 0.00 C ATOM 776 CG2 ILE C 60 7.895 -2.200 3.274 1.00 0.00 C ATOM 777 CD1 ILE C 60 5.168 -1.776 2.148 1.00 0.00 C ATOM 0 H ILE C 60 5.272 -1.588 6.127 1.00 0.00 H new ATOM 0 HA ILE C 60 6.582 -3.840 5.236 1.00 0.00 H new ATOM 0 HB ILE C 60 6.713 -0.941 4.493 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.507 -3.510 3.331 1.00 0.00 H new ATOM 0 HG13 ILE C 60 4.602 -2.248 4.143 1.00 0.00 H new ATOM 0 HG21 ILE C 60 7.758 -1.589 2.382 1.00 0.00 H new ATOM 0 HG22 ILE C 60 8.817 -1.907 3.776 1.00 0.00 H new ATOM 0 HG23 ILE C 60 7.955 -3.250 2.989 1.00 0.00 H new ATOM 0 HD11 ILE C 60 4.241 -2.176 1.736 1.00 0.00 H new ATOM 0 HD12 ILE C 60 5.069 -0.699 2.285 1.00 0.00 H new ATOM 0 HD13 ILE C 60 5.988 -1.981 1.460 1.00 0.00 H new ATOM 789 N LYS C 61 8.637 -1.813 6.743 1.00 0.00 N ATOM 790 CA LYS C 61 9.894 -1.718 7.451 1.00 0.00 C ATOM 791 C LYS C 61 10.054 -2.801 8.503 1.00 0.00 C ATOM 792 O LYS C 61 11.164 -3.235 8.753 1.00 0.00 O ATOM 793 CB LYS C 61 10.016 -0.300 7.989 1.00 0.00 C ATOM 794 CG LYS C 61 11.159 -0.077 8.955 1.00 0.00 C ATOM 795 CD LYS C 61 12.528 -0.159 8.350 1.00 0.00 C ATOM 796 CE LYS C 61 13.084 0.850 7.958 1.00 0.00 C ATOM 797 NZ LYS C 61 14.443 0.750 7.514 1.00 0.00 N ATOM 0 H LYS C 61 8.090 -0.954 6.798 1.00 0.00 H new ATOM 0 HA LYS C 61 10.727 -1.904 6.773 1.00 0.00 H new ATOM 0 HB2 LYS C 61 10.133 0.383 7.147 1.00 0.00 H new ATOM 0 HB3 LYS C 61 9.083 -0.035 8.487 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.040 0.904 9.414 1.00 0.00 H new ATOM 0 HG3 LYS C 61 11.087 -0.814 9.755 1.00 0.00 H new ATOM 0 HD2 LYS C 61 13.181 -0.622 9.090 1.00 0.00 H new ATOM 0 HD3 LYS C 61 12.468 -0.844 7.505 1.00 0.00 H new ATOM 0 HE2 LYS C 61 12.495 1.256 7.135 1.00 0.00 H new ATOM 0 HE3 LYS C 61 13.051 1.582 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 14.779 1.687 7.212 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 15.038 0.403 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 14.499 0.087 6.714 1.00 0.00 H new ATOM 811 N ALA C 62 8.957 -3.320 9.047 1.00 0.00 N ATOM 812 CA ALA C 62 8.918 -4.437 9.954 1.00 0.00 C ATOM 813 C ALA C 62 8.807 -5.770 9.270 1.00 0.00 C ATOM 814 O ALA C 62 9.421 -6.724 9.696 1.00 0.00 O ATOM 815 CB ALA C 62 7.784 -4.225 10.918 1.00 0.00 C ATOM 0 H ALA C 62 8.029 -2.945 8.850 1.00 0.00 H new ATOM 0 HA ALA C 62 9.871 -4.472 10.482 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.737 -5.062 11.615 1.00 0.00 H new ATOM 0 HB2 ALA C 62 7.945 -3.300 11.472 1.00 0.00 H new ATOM 0 HB3 ALA C 62 6.846 -4.159 10.367 1.00 0.00 H new ATOM 821 N GLY C 63 8.021 -5.895 8.206 1.00 0.00 N ATOM 822 CA GLY C 63 7.835 -7.128 7.490 1.00 0.00 C ATOM 823 C GLY C 63 9.006 -7.567 6.641 1.00 0.00 C ATOM 824 O GLY C 63 9.479 -8.668 6.760 1.00 0.00 O ATOM 0 H GLY C 63 7.488 -5.117 7.817 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.614 -7.916 8.209 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.960 -7.027 6.848 1.00 0.00 H new ATOM 828 N GLY C 64 9.501 -6.690 5.787 1.00 0.00 N ATOM 829 CA GLY C 64 10.531 -6.988 4.821 1.00 0.00 C ATOM 830 C GLY C 64 10.003 -7.462 3.494 1.00 0.00 C ATOM 831 O GLY C 64 10.545 -8.344 2.933 1.00 0.00 O ATOM 0 H GLY C 64 9.184 -5.721 5.749 1.00 0.00 H new ATOM 0 HA2 GLY C 64 11.136 -6.095 4.662 1.00 0.00 H new ATOM 0 HA3 GLY C 64 11.191 -7.752 5.232 1.00 0.00 H new ATOM 835 N PHE C 65 8.926 -6.919 2.984 1.00 0.00 N ATOM 836 CA PHE C 65 8.197 -7.295 1.806 1.00 0.00 C ATOM 837 C PHE C 65 8.983 -7.317 0.531 1.00 0.00 C ATOM 838 O PHE C 65 8.902 -8.252 -0.194 1.00 0.00 O ATOM 839 CB PHE C 65 6.993 -6.392 1.641 1.00 0.00 C ATOM 840 CG PHE C 65 5.922 -6.523 2.692 1.00 0.00 C ATOM 841 CD1 PHE C 65 6.066 -5.907 3.932 1.00 0.00 C ATOM 842 CD2 PHE C 65 4.722 -7.162 2.395 1.00 0.00 C ATOM 843 CE1 PHE C 65 4.986 -5.777 4.800 1.00 0.00 C ATOM 844 CE2 PHE C 65 3.645 -7.096 3.275 1.00 0.00 C ATOM 845 CZ PHE C 65 3.776 -6.372 4.456 1.00 0.00 C ATOM 0 H PHE C 65 8.494 -6.114 3.438 1.00 0.00 H new ATOM 0 HA PHE C 65 7.906 -8.331 1.977 1.00 0.00 H new ATOM 0 HB2 PHE C 65 7.338 -5.358 1.629 1.00 0.00 H new ATOM 0 HB3 PHE C 65 6.545 -6.590 0.667 1.00 0.00 H new ATOM 0 HD1 PHE C 65 7.032 -5.524 4.225 1.00 0.00 H new ATOM 0 HD2 PHE C 65 4.625 -7.715 1.472 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.085 -5.225 5.723 1.00 0.00 H new ATOM 0 HE2 PHE C 65 2.719 -7.601 3.044 1.00 0.00 H new ATOM 0 HZ PHE C 65 2.926 -6.270 5.115 1.00 0.00 H new HETATM 855 N NH2 C 66 9.685 -6.261 0.204 1.00 0.00 N TER 858 NH2 C 66 HETATM 859 C ACE D 67 7.064 -10.720 4.708 1.00 0.00 C HETATM 860 O ACE D 67 6.501 -9.984 5.488 1.00 0.00 O HETATM 861 CH3 ACE D 67 8.516 -11.049 4.901 1.00 0.00 C HETATM 0 H1 ACE D 67 8.632 -12.126 5.027 1.00 0.00 H new HETATM 0 H2 ACE D 67 9.082 -10.723 4.028 1.00 0.00 H new HETATM 0 H3 ACE D 67 8.890 -10.538 5.788 1.00 0.00 H new ATOM 865 N ALA D 68 6.415 -11.379 3.756 1.00 0.00 N ATOM 866 CA ALA D 68 4.991 -11.390 3.554 1.00 0.00 C ATOM 867 C ALA D 68 4.206 -12.022 4.675 1.00 0.00 C ATOM 868 O ALA D 68 2.992 -12.083 4.613 1.00 0.00 O ATOM 869 CB ALA D 68 4.695 -12.043 2.223 1.00 0.00 C ATOM 0 H ALA D 68 6.908 -11.950 3.070 1.00 0.00 H new ATOM 0 HA ALA D 68 4.655 -10.353 3.549 1.00 0.00 H new ATOM 0 HB1 ALA D 68 3.618 -12.058 2.057 1.00 0.00 H new ATOM 0 HB2 ALA D 68 5.177 -11.478 1.425 1.00 0.00 H new ATOM 0 HB3 ALA D 68 5.076 -13.064 2.226 1.00 0.00 H new ATOM 875 N LYS D 69 4.861 -12.422 5.756 1.00 0.00 N ATOM 876 CA LYS D 69 4.262 -12.655 7.038 1.00 0.00 C ATOM 877 C LYS D 69 3.348 -11.546 7.487 1.00 0.00 C ATOM 878 O LYS D 69 2.288 -11.778 8.013 1.00 0.00 O ATOM 879 CB LYS D 69 5.294 -12.931 8.105 1.00 0.00 C ATOM 880 CG LYS D 69 6.002 -14.251 7.923 1.00 0.00 C ATOM 881 CD LYS D 69 6.992 -14.517 8.973 1.00 0.00 C ATOM 882 CE LYS D 69 7.714 -15.809 8.828 1.00 0.00 C ATOM 883 NZ LYS D 69 8.010 -16.414 9.721 1.00 0.00 N ATOM 0 H LYS D 69 5.866 -12.597 5.750 1.00 0.00 H new ATOM 0 HA LYS D 69 3.648 -13.545 6.900 1.00 0.00 H new ATOM 0 HB2 LYS D 69 6.031 -12.128 8.104 1.00 0.00 H new ATOM 0 HB3 LYS D 69 4.810 -12.918 9.081 1.00 0.00 H new ATOM 0 HG2 LYS D 69 5.265 -15.054 7.913 1.00 0.00 H new ATOM 0 HG3 LYS D 69 6.498 -14.261 6.952 1.00 0.00 H new ATOM 0 HD2 LYS D 69 7.721 -13.707 8.981 1.00 0.00 H new ATOM 0 HD3 LYS D 69 6.490 -14.503 9.940 1.00 0.00 H new ATOM 0 HE2 LYS D 69 7.094 -16.450 8.201 1.00 0.00 H new ATOM 0 HE3 LYS D 69 8.626 -15.602 8.268 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 8.501 -17.276 9.409 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 8.644 -15.854 10.325 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 7.160 -16.676 10.260 1.00 0.00 H new ATOM 897 N ALA D 70 3.721 -10.302 7.227 1.00 0.00 N ATOM 898 CA ALA D 70 3.017 -9.065 7.457 1.00 0.00 C ATOM 899 C ALA D 70 1.925 -8.739 6.454 1.00 0.00 C ATOM 900 O ALA D 70 1.254 -7.723 6.527 1.00 0.00 O ATOM 901 CB ALA D 70 4.099 -8.003 7.451 1.00 0.00 C ATOM 0 H ALA D 70 4.630 -10.124 6.801 1.00 0.00 H new ATOM 0 HA ALA D 70 2.467 -9.130 8.396 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.649 -7.025 7.620 1.00 0.00 H new ATOM 0 HB2 ALA D 70 4.819 -8.213 8.242 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.607 -8.007 6.487 1.00 0.00 H new ATOM 907 N ALA D 71 1.698 -9.574 5.449 1.00 0.00 N ATOM 908 CA ALA D 71 0.856 -9.306 4.307 1.00 0.00 C ATOM 909 C ALA D 71 -0.614 -9.579 4.523 1.00 0.00 C ATOM 910 O ALA D 71 -1.370 -9.424 3.602 1.00 0.00 O ATOM 911 CB ALA D 71 1.379 -10.012 3.084 1.00 0.00 C ATOM 0 H ALA D 71 2.121 -10.502 5.413 1.00 0.00 H new ATOM 0 HA ALA D 71 0.911 -8.229 4.150 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.730 -9.797 2.235 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.389 -9.664 2.867 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.397 -11.087 3.264 1.00 0.00 H new ATOM 917 N ALA D 72 -1.085 -9.894 5.712 1.00 0.00 N ATOM 918 CA ALA D 72 -2.412 -9.574 6.159 1.00 0.00 C ATOM 919 C ALA D 72 -2.429 -8.199 6.778 1.00 0.00 C ATOM 920 O ALA D 72 -3.136 -7.330 6.305 1.00 0.00 O ATOM 921 CB ALA D 72 -2.945 -10.669 7.036 1.00 0.00 C ATOM 0 H ALA D 72 -0.534 -10.394 6.409 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.100 -9.524 5.315 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -3.951 -10.413 7.367 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.975 -11.603 6.475 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.297 -10.788 7.904 1.00 0.00 H new ATOM 927 N ALA D 73 -1.624 -7.974 7.809 1.00 0.00 N ATOM 928 CA ALA D 73 -1.638 -6.785 8.625 1.00 0.00 C ATOM 929 C ALA D 73 -1.429 -5.504 7.850 1.00 0.00 C ATOM 930 O ALA D 73 -2.087 -4.513 8.126 1.00 0.00 O ATOM 931 CB ALA D 73 -0.598 -6.929 9.709 1.00 0.00 C ATOM 0 H ALA D 73 -0.918 -8.648 8.104 1.00 0.00 H new ATOM 0 HA ALA D 73 -2.636 -6.699 9.054 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -0.598 -6.036 10.334 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -0.829 -7.801 10.321 1.00 0.00 H new ATOM 0 HB3 ALA D 73 0.385 -7.055 9.256 1.00 0.00 H new ATOM 937 N ALA D 74 -0.604 -5.495 6.808 1.00 0.00 N ATOM 938 CA ALA D 74 -0.371 -4.322 6.029 1.00 0.00 C ATOM 939 C ALA D 74 -1.532 -4.002 5.117 1.00 0.00 C ATOM 940 O ALA D 74 -1.952 -2.858 5.033 1.00 0.00 O ATOM 941 CB ALA D 74 0.882 -4.547 5.218 1.00 0.00 C ATOM 0 H ALA D 74 -0.084 -6.314 6.493 1.00 0.00 H new ATOM 0 HA ALA D 74 -0.257 -3.469 6.698 1.00 0.00 H new ATOM 0 HB1 ALA D 74 1.086 -3.665 4.611 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.722 -4.728 5.889 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.744 -5.411 4.568 1.00 0.00 H new ATOM 947 N ILE D 75 -2.090 -5.032 4.485 1.00 0.00 N ATOM 948 CA ILE D 75 -3.181 -4.928 3.545 1.00 0.00 C ATOM 949 C ILE D 75 -4.466 -4.554 4.256 1.00 0.00 C ATOM 950 O ILE D 75 -5.219 -3.703 3.801 1.00 0.00 O ATOM 951 CB ILE D 75 -3.323 -6.239 2.797 1.00 0.00 C ATOM 952 CG1 ILE D 75 -2.044 -6.846 2.281 1.00 0.00 C ATOM 953 CG2 ILE D 75 -4.347 -6.003 1.698 1.00 0.00 C ATOM 954 CD1 ILE D 75 -1.326 -6.095 1.187 1.00 0.00 C ATOM 0 H ILE D 75 -1.777 -5.993 4.625 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.968 -4.137 2.826 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.655 -7.001 3.503 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.359 -6.959 3.121 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -2.267 -7.848 1.915 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -4.486 -6.921 1.127 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -5.296 -5.705 2.143 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.993 -5.214 1.035 1.00 0.00 H new ATOM 0 HD11 ILE D 75 -0.423 -6.637 0.906 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -1.979 -6.004 0.319 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -1.056 -5.101 1.544 1.00 0.00 H new ATOM 966 N LYS D 76 -4.724 -5.157 5.401 1.00 0.00 N ATOM 967 CA LYS D 76 -5.940 -4.980 6.157 1.00 0.00 C ATOM 968 C LYS D 76 -6.018 -3.628 6.831 1.00 0.00 C ATOM 969 O LYS D 76 -7.119 -3.165 7.044 1.00 0.00 O ATOM 970 CB LYS D 76 -6.095 -6.118 7.156 1.00 0.00 C ATOM 971 CG LYS D 76 -6.523 -7.437 6.537 1.00 0.00 C ATOM 972 CD LYS D 76 -6.715 -8.470 7.611 1.00 0.00 C ATOM 973 CE LYS D 76 -7.209 -9.764 7.042 1.00 0.00 C ATOM 974 NZ LYS D 76 -7.804 -10.513 7.871 1.00 0.00 N ATOM 0 H LYS D 76 -4.069 -5.803 5.841 1.00 0.00 H new ATOM 0 HA LYS D 76 -6.775 -5.008 5.457 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.147 -6.263 7.674 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -6.828 -5.828 7.909 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.450 -7.303 5.980 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.770 -7.776 5.826 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -5.772 -8.636 8.131 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.426 -8.101 8.350 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.887 -9.547 6.217 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -6.362 -10.308 6.624 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -8.111 -11.384 7.393 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -7.156 -10.754 8.648 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.634 -10.017 8.254 1.00 0.00 H new ATOM 988 N ALA D 77 -4.911 -2.966 7.092 1.00 0.00 N ATOM 989 CA ALA D 77 -4.875 -1.539 7.267 1.00 0.00 C ATOM 990 C ALA D 77 -5.257 -0.852 5.976 1.00 0.00 C ATOM 991 O ALA D 77 -6.321 -0.268 5.836 1.00 0.00 O ATOM 992 CB ALA D 77 -3.507 -1.141 7.782 1.00 0.00 C ATOM 0 H ALA D 77 -4.000 -3.415 7.189 1.00 0.00 H new ATOM 0 HA ALA D 77 -5.605 -1.218 8.010 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -3.470 -0.060 7.918 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -3.320 -1.633 8.736 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -2.746 -1.443 7.063 1.00 0.00 H new ATOM 998 N ILE D 78 -4.411 -0.948 4.954 1.00 0.00 N ATOM 999 CA ILE D 78 -4.415 -0.005 3.858 1.00 0.00 C ATOM 1000 C ILE D 78 -5.637 -0.145 2.963 1.00 0.00 C ATOM 1001 O ILE D 78 -6.225 0.880 2.640 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.067 -0.017 3.158 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.451 1.336 2.879 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -3.019 -0.932 1.953 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -3.117 2.193 1.833 1.00 0.00 C ATOM 0 H ILE D 78 -3.708 -1.682 4.869 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.532 1.006 4.249 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.414 -0.451 3.915 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -2.431 1.897 3.813 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.415 1.180 2.579 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.027 -0.890 1.503 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.233 -1.954 2.264 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.762 -0.611 1.223 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.574 3.133 1.733 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.114 1.669 0.877 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.145 2.397 2.131 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.115 -1.353 2.667 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.312 -1.508 1.870 1.00 0.00 C ATOM 1019 C ALA D 79 -8.566 -0.999 2.553 1.00 0.00 C ATOM 1020 O ALA D 79 -9.461 -0.458 1.919 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.413 -2.948 1.416 1.00 0.00 C ATOM 0 H ALA D 79 -5.688 -2.229 2.969 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.229 -0.870 0.990 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.312 -3.077 0.814 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.537 -3.204 0.820 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.463 -3.601 2.287 1.00 0.00 H new ATOM 1027 N ALA D 80 -8.648 -1.093 3.875 1.00 0.00 N ATOM 1028 CA ALA D 80 -9.729 -0.623 4.712 1.00 0.00 C ATOM 1029 C ALA D 80 -9.682 0.873 4.957 1.00 0.00 C ATOM 1030 O ALA D 80 -10.706 1.518 5.108 1.00 0.00 O ATOM 1031 CB ALA D 80 -9.763 -1.384 6.023 1.00 0.00 C ATOM 0 H ALA D 80 -7.906 -1.531 4.421 1.00 0.00 H new ATOM 0 HA ALA D 80 -10.652 -0.818 4.166 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -10.584 -1.014 6.637 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -9.909 -2.446 5.824 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -8.821 -1.240 6.552 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.485 1.442 4.900 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.227 2.861 4.916 1.00 0.00 C ATOM 1039 C ILE D 81 -8.539 3.464 3.558 1.00 0.00 C ATOM 1040 O ILE D 81 -9.172 4.510 3.508 1.00 0.00 O ATOM 1041 CB ILE D 81 -6.794 3.070 5.393 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -6.643 2.724 6.859 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.413 4.524 5.210 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -5.204 2.500 7.290 1.00 0.00 C ATOM 0 H ILE D 81 -7.629 0.891 4.838 1.00 0.00 H new ATOM 0 HA ILE D 81 -8.879 3.389 5.612 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.148 2.417 4.806 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -7.071 3.527 7.458 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -7.221 1.825 7.072 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.389 4.677 5.550 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.489 4.790 4.156 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -7.087 5.153 5.792 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -5.176 2.256 8.352 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -4.777 1.677 6.718 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -4.625 3.406 7.110 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.155 2.829 2.453 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.542 3.211 1.117 1.00 0.00 C ATOM 1058 C ILE D 82 -10.040 3.295 0.883 1.00 0.00 C ATOM 1059 O ILE D 82 -10.527 4.279 0.353 1.00 0.00 O ATOM 1060 CB ILE D 82 -7.896 2.297 0.083 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.419 2.652 0.026 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.506 2.450 -1.297 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -5.569 1.873 -0.963 1.00 0.00 C ATOM 0 H ILE D 82 -7.547 2.010 2.474 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.172 4.229 0.999 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.057 1.261 0.381 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.333 3.712 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -5.997 2.513 1.021 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -8.007 1.775 -1.992 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.568 2.207 -1.254 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.382 3.478 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.537 2.219 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -5.609 0.811 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -5.950 2.029 -1.972 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.752 2.261 1.325 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.190 2.216 1.421 1.00 0.00 C ATOM 1077 C LYS D 83 -12.803 3.418 2.105 1.00 0.00 C ATOM 1078 O LYS D 83 -13.893 3.806 1.730 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.539 0.896 2.087 1.00 0.00 C ATOM 1080 CG LYS D 83 -13.991 0.631 2.422 1.00 0.00 C ATOM 1081 CD LYS D 83 -14.897 0.336 1.248 1.00 0.00 C ATOM 1082 CE LYS D 83 -14.680 -1.045 0.715 1.00 0.00 C ATOM 1083 NZ LYS D 83 -15.588 -1.414 -0.324 1.00 0.00 N ATOM 0 H LYS D 83 -10.311 1.396 1.638 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.628 2.268 0.424 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.194 0.092 1.436 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -11.965 0.826 3.011 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.037 -0.212 3.112 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.386 1.498 2.952 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -15.937 0.449 1.554 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -14.716 1.064 0.457 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -13.660 -1.122 0.337 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -14.771 -1.758 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -15.377 -2.381 -0.642 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -16.563 -1.373 0.036 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -15.486 -0.757 -1.123 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.107 4.065 3.020 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.475 5.296 3.669 1.00 0.00 C ATOM 1099 C ALA D 84 -11.972 6.531 2.955 1.00 0.00 C ATOM 1100 O ALA D 84 -12.693 7.479 2.798 1.00 0.00 O ATOM 1101 CB ALA D 84 -12.069 5.257 5.130 1.00 0.00 C ATOM 0 H ALA D 84 -11.207 3.714 3.348 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.561 5.378 3.618 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.352 6.193 5.611 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.573 4.427 5.626 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -10.990 5.123 5.204 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.734 6.540 2.512 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.075 7.666 1.913 1.00 0.00 C ATOM 1109 C GLY D 85 -10.595 8.059 0.551 1.00 0.00 C ATOM 1110 O GLY D 85 -10.713 9.238 0.280 1.00 0.00 O ATOM 0 H GLY D 85 -10.134 5.717 2.565 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.169 8.521 2.582 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.011 7.443 1.829 1.00 0.00 H new ATOM 1114 N GLY D 86 -10.915 7.118 -0.332 1.00 0.00 N ATOM 1115 CA GLY D 86 -11.330 7.409 -1.676 1.00 0.00 C ATOM 1116 C GLY D 86 -10.208 7.692 -2.651 1.00 0.00 C ATOM 1117 O GLY D 86 -10.387 8.519 -3.523 1.00 0.00 O ATOM 0 H GLY D 86 -10.889 6.121 -0.118 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.911 6.566 -2.050 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.997 8.271 -1.654 1.00 0.00 H new ATOM 1121 N PHE D 87 -9.074 7.028 -2.514 1.00 0.00 N ATOM 1122 CA PHE D 87 -7.858 7.242 -3.260 1.00 0.00 C ATOM 1123 C PHE D 87 -7.965 6.997 -4.750 1.00 0.00 C ATOM 1124 O PHE D 87 -7.599 7.821 -5.542 1.00 0.00 O ATOM 1125 CB PHE D 87 -6.772 6.340 -2.700 1.00 0.00 C ATOM 1126 CG PHE D 87 -6.291 6.640 -1.307 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -7.005 6.169 -0.205 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -5.075 7.266 -1.090 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.429 6.090 1.062 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.531 7.311 0.192 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.199 6.700 1.249 1.00 0.00 C ATOM 0 H PHE D 87 -8.978 6.276 -1.832 1.00 0.00 H new ATOM 0 HA PHE D 87 -7.625 8.301 -3.145 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -7.140 5.314 -2.719 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -5.915 6.383 -3.372 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -8.031 5.857 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -4.547 7.720 -1.916 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -6.924 5.571 1.870 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.594 7.819 0.365 1.00 0.00 H new ATOM 0 HZ PHE D 87 -4.751 6.701 2.232 1.00 0.00 H new HETATM 1141 N NH2 D 88 -8.404 5.838 -5.164 1.00 0.00 N TER 1144 NH2 D 88