USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=5 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+ 173:sc= 0 (180deg=-0.0528) 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+ -176:sc= 0 (180deg=-0.0123) USER MOD Single : C 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 61 LYS NZ :NH3+ -160:sc= 0.871 (180deg=0.611) USER MOD Single : D 69 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.112) USER MOD Single : D 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 83 LYS NZ :NH3+ 161:sc= -0.0222 (180deg=-0.278) USER MOD ----------------------------------------------------------------- ATOM 7 N ALA A 2 2.391 13.067 -2.097 1.00 0.00 N ATOM 8 CA ALA A 2 1.176 12.506 -2.634 1.00 0.00 C ATOM 9 C ALA A 2 0.895 12.940 -4.054 1.00 0.00 C ATOM 10 O ALA A 2 -0.113 12.513 -4.589 1.00 0.00 O ATOM 11 CB ALA A 2 0.042 12.815 -1.681 1.00 0.00 C ATOM 0 HA ALA A 2 1.290 11.425 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.886 12.398 -2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.256 12.375 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -0.062 13.895 -1.577 1.00 0.00 H new ATOM 17 N LYS A 3 1.765 13.679 -4.737 1.00 0.00 N ATOM 18 CA LYS A 3 1.827 13.764 -6.175 1.00 0.00 C ATOM 19 C LYS A 3 1.923 12.413 -6.849 1.00 0.00 C ATOM 20 O LYS A 3 1.407 12.223 -7.921 1.00 0.00 O ATOM 21 CB LYS A 3 3.042 14.550 -6.608 1.00 0.00 C ATOM 22 CG LYS A 3 2.972 16.001 -6.235 1.00 0.00 C ATOM 23 CD LYS A 3 2.136 16.835 -7.130 1.00 0.00 C ATOM 24 CE LYS A 3 2.074 18.223 -6.688 1.00 0.00 C ATOM 25 NZ LYS A 3 1.445 19.101 -7.557 1.00 0.00 N ATOM 0 H LYS A 3 2.470 14.254 -4.276 1.00 0.00 H new ATOM 0 HA LYS A 3 0.898 14.250 -6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 3 3.931 14.109 -6.158 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.156 14.465 -7.689 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.584 16.082 -5.220 1.00 0.00 H new ATOM 0 HG3 LYS A 3 3.983 16.407 -6.223 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.538 16.795 -8.142 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.128 16.423 -7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.558 18.257 -5.729 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.091 18.576 -6.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.454 20.058 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.947 19.107 -8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.461 18.798 -7.705 1.00 0.00 H new ATOM 39 N ALA A 4 2.541 11.458 -6.177 1.00 0.00 N ATOM 40 CA ALA A 4 2.669 10.076 -6.546 1.00 0.00 C ATOM 41 C ALA A 4 1.531 9.164 -6.135 1.00 0.00 C ATOM 42 O ALA A 4 1.635 7.955 -6.297 1.00 0.00 O ATOM 43 CB ALA A 4 3.961 9.576 -5.922 1.00 0.00 C ATOM 0 H ALA A 4 3.001 11.655 -5.288 1.00 0.00 H new ATOM 0 HA ALA A 4 2.657 10.040 -7.635 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.104 8.525 -6.175 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.799 10.159 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.908 9.685 -4.839 1.00 0.00 H new ATOM 49 N ALA A 5 0.475 9.705 -5.533 1.00 0.00 N ATOM 50 CA ALA A 5 -0.430 8.894 -4.755 1.00 0.00 C ATOM 51 C ALA A 5 -1.175 7.825 -5.532 1.00 0.00 C ATOM 52 O ALA A 5 -1.051 6.652 -5.210 1.00 0.00 O ATOM 53 CB ALA A 5 -1.355 9.745 -3.908 1.00 0.00 C ATOM 0 H ALA A 5 0.234 10.695 -5.574 1.00 0.00 H new ATOM 0 HA ALA A 5 0.215 8.325 -4.085 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.022 9.099 -3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.764 10.354 -3.223 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.945 10.395 -4.554 1.00 0.00 H new ATOM 59 N ALA A 6 -1.891 8.178 -6.595 1.00 0.00 N ATOM 60 CA ALA A 6 -2.647 7.211 -7.353 1.00 0.00 C ATOM 61 C ALA A 6 -1.809 6.150 -8.034 1.00 0.00 C ATOM 62 O ALA A 6 -2.234 5.018 -8.187 1.00 0.00 O ATOM 63 CB ALA A 6 -3.516 7.937 -8.348 1.00 0.00 C ATOM 0 H ALA A 6 -1.958 9.134 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.259 6.660 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.091 7.213 -8.925 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.198 8.602 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -2.888 8.521 -9.021 1.00 0.00 H new ATOM 69 N ALA A 7 -0.560 6.465 -8.363 1.00 0.00 N ATOM 70 CA ALA A 7 0.411 5.514 -8.853 1.00 0.00 C ATOM 71 C ALA A 7 0.856 4.523 -7.798 1.00 0.00 C ATOM 72 O ALA A 7 1.047 3.373 -8.130 1.00 0.00 O ATOM 73 CB ALA A 7 1.587 6.250 -9.465 1.00 0.00 C ATOM 0 H ALA A 7 -0.194 7.414 -8.292 1.00 0.00 H new ATOM 0 HA ALA A 7 -0.074 4.917 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.316 5.528 -9.833 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.239 6.868 -10.293 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.053 6.884 -8.710 1.00 0.00 H new ATOM 79 N ALA A 8 0.947 4.925 -6.539 1.00 0.00 N ATOM 80 CA ALA A 8 1.046 4.002 -5.440 1.00 0.00 C ATOM 81 C ALA A 8 -0.252 3.275 -5.178 1.00 0.00 C ATOM 82 O ALA A 8 -0.425 2.132 -5.553 1.00 0.00 O ATOM 83 CB ALA A 8 1.555 4.760 -4.226 1.00 0.00 C ATOM 0 H ALA A 8 0.953 5.906 -6.260 1.00 0.00 H new ATOM 0 HA ALA A 8 1.755 3.213 -5.690 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.638 4.078 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.534 5.185 -4.447 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.859 5.562 -3.979 1.00 0.00 H new ATOM 89 N ILE A 9 -1.165 3.887 -4.441 1.00 0.00 N ATOM 90 CA ILE A 9 -2.167 3.163 -3.693 1.00 0.00 C ATOM 91 C ILE A 9 -3.270 2.629 -4.587 1.00 0.00 C ATOM 92 O ILE A 9 -3.938 1.672 -4.223 1.00 0.00 O ATOM 93 CB ILE A 9 -2.697 3.946 -2.502 1.00 0.00 C ATOM 94 CG1 ILE A 9 -3.901 4.846 -2.750 1.00 0.00 C ATOM 95 CG2 ILE A 9 -1.613 4.704 -1.753 1.00 0.00 C ATOM 96 CD1 ILE A 9 -3.599 5.930 -3.773 1.00 0.00 C ATOM 0 H ILE A 9 -1.228 4.901 -4.348 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.666 2.293 -3.269 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.076 3.144 -1.869 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.740 4.243 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.208 5.308 -1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.057 5.241 -0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.869 4.000 -1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.134 5.415 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.484 6.549 -3.920 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.778 6.551 -3.414 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.318 5.469 -4.720 1.00 0.00 H new ATOM 108 N LYS A 10 -3.474 3.229 -5.757 1.00 0.00 N ATOM 109 CA LYS A 10 -4.635 2.961 -6.567 1.00 0.00 C ATOM 110 C LYS A 10 -4.322 1.943 -7.646 1.00 0.00 C ATOM 111 O LYS A 10 -5.166 1.140 -7.989 1.00 0.00 O ATOM 112 CB LYS A 10 -5.196 4.253 -7.135 1.00 0.00 C ATOM 113 CG LYS A 10 -6.489 4.713 -6.526 1.00 0.00 C ATOM 114 CD LYS A 10 -7.716 3.919 -6.911 1.00 0.00 C ATOM 115 CE LYS A 10 -8.079 4.104 -8.324 1.00 0.00 C ATOM 116 NZ LYS A 10 -9.296 3.428 -8.729 1.00 0.00 N ATOM 0 H LYS A 10 -2.833 3.912 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.408 2.522 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.453 5.040 -7.007 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.344 4.125 -8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.388 4.686 -5.441 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.650 5.754 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.536 2.861 -6.720 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.553 4.219 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.189 5.170 -8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.257 3.748 -8.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.476 3.612 -9.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.192 2.405 -8.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.094 3.782 -8.164 1.00 0.00 H new ATOM 130 N ALA A 11 -3.075 1.907 -8.102 1.00 0.00 N ATOM 131 CA ALA A 11 -2.501 0.746 -8.743 1.00 0.00 C ATOM 132 C ALA A 11 -2.602 -0.441 -7.803 1.00 0.00 C ATOM 133 O ALA A 11 -3.203 -1.458 -8.126 1.00 0.00 O ATOM 134 CB ALA A 11 -1.075 1.036 -9.184 1.00 0.00 C ATOM 0 H ALA A 11 -2.433 2.696 -8.033 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.056 0.498 -9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.656 0.152 -9.665 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.074 1.868 -9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.471 1.297 -8.315 1.00 0.00 H new ATOM 140 N ILE A 12 -2.103 -0.286 -6.580 1.00 0.00 N ATOM 141 CA ILE A 12 -2.124 -1.333 -5.584 1.00 0.00 C ATOM 142 C ILE A 12 -3.524 -1.799 -5.230 1.00 0.00 C ATOM 143 O ILE A 12 -3.721 -3.008 -5.161 1.00 0.00 O ATOM 144 CB ILE A 12 -1.222 -0.966 -4.419 1.00 0.00 C ATOM 145 CG1 ILE A 12 0.177 -1.487 -4.644 1.00 0.00 C ATOM 146 CG2 ILE A 12 -1.671 -1.478 -3.072 1.00 0.00 C ATOM 147 CD1 ILE A 12 0.891 -0.954 -5.868 1.00 0.00 C ATOM 0 H ILE A 12 -1.671 0.580 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.693 -2.238 -6.012 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.263 0.123 -4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.778 -1.252 -3.765 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.132 -2.574 -4.718 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.961 -1.163 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.657 -1.075 -2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.720 -2.567 -3.095 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.886 -1.395 -5.930 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.323 -1.213 -6.762 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.979 0.130 -5.795 1.00 0.00 H new ATOM 159 N ALA A 13 -4.536 -0.941 -5.180 1.00 0.00 N ATOM 160 CA ALA A 13 -5.894 -1.384 -4.965 1.00 0.00 C ATOM 161 C ALA A 13 -6.478 -2.259 -6.057 1.00 0.00 C ATOM 162 O ALA A 13 -7.236 -3.176 -5.818 1.00 0.00 O ATOM 163 CB ALA A 13 -6.761 -0.170 -4.713 1.00 0.00 C ATOM 0 H ALA A 13 -4.433 0.068 -5.287 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.872 -2.042 -4.096 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.791 -0.486 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.399 0.359 -3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.719 0.493 -5.577 1.00 0.00 H new ATOM 169 N ALA A 14 -6.093 -2.022 -7.310 1.00 0.00 N ATOM 170 CA ALA A 14 -6.418 -2.824 -8.468 1.00 0.00 C ATOM 171 C ALA A 14 -5.640 -4.125 -8.524 1.00 0.00 C ATOM 172 O ALA A 14 -6.166 -5.170 -8.879 1.00 0.00 O ATOM 173 CB ALA A 14 -6.200 -1.992 -9.718 1.00 0.00 C ATOM 0 H ALA A 14 -5.513 -1.217 -7.548 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.466 -3.116 -8.397 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.442 -2.587 -10.598 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.843 -1.113 -9.687 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.158 -1.677 -9.768 1.00 0.00 H new ATOM 179 N ILE A 15 -4.386 -4.102 -8.077 1.00 0.00 N ATOM 180 CA ILE A 15 -3.538 -5.259 -7.922 1.00 0.00 C ATOM 181 C ILE A 15 -4.075 -6.120 -6.799 1.00 0.00 C ATOM 182 O ILE A 15 -4.194 -7.311 -6.986 1.00 0.00 O ATOM 183 CB ILE A 15 -2.104 -4.781 -7.753 1.00 0.00 C ATOM 184 CG1 ILE A 15 -1.542 -4.249 -9.058 1.00 0.00 C ATOM 185 CG2 ILE A 15 -1.199 -5.865 -7.205 1.00 0.00 C ATOM 186 CD1 ILE A 15 -0.388 -3.269 -8.938 1.00 0.00 C ATOM 0 H ILE A 15 -3.923 -3.235 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.538 -5.904 -8.801 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.134 -3.970 -7.025 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.212 -5.096 -9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.349 -3.763 -9.606 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.186 -5.476 -7.102 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.565 -6.186 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.194 -6.714 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.070 -2.958 -9.933 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.710 -2.396 -8.370 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.445 -3.749 -8.425 1.00 0.00 H new ATOM 198 N ILE A 16 -4.532 -5.594 -5.666 1.00 0.00 N ATOM 199 CA ILE A 16 -5.256 -6.240 -4.592 1.00 0.00 C ATOM 200 C ILE A 16 -6.537 -6.939 -5.016 1.00 0.00 C ATOM 201 O ILE A 16 -6.720 -8.088 -4.661 1.00 0.00 O ATOM 202 CB ILE A 16 -5.474 -5.252 -3.455 1.00 0.00 C ATOM 203 CG1 ILE A 16 -4.140 -5.020 -2.761 1.00 0.00 C ATOM 204 CG2 ILE A 16 -6.473 -5.754 -2.426 1.00 0.00 C ATOM 205 CD1 ILE A 16 -4.103 -3.942 -1.699 1.00 0.00 C ATOM 0 H ILE A 16 -4.386 -4.605 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.630 -7.059 -4.239 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.876 -4.334 -3.884 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -3.827 -5.959 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -3.399 -4.773 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.589 -5.009 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.436 -5.927 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -6.112 -6.687 -1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.098 -3.876 -1.282 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.375 -2.984 -2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.809 -4.188 -0.906 1.00 0.00 H new ATOM 217 N LYS A 17 -7.385 -6.250 -5.777 1.00 0.00 N ATOM 218 CA LYS A 17 -8.570 -6.813 -6.381 1.00 0.00 C ATOM 219 C LYS A 17 -8.265 -8.052 -7.198 1.00 0.00 C ATOM 220 O LYS A 17 -9.034 -8.998 -7.185 1.00 0.00 O ATOM 221 CB LYS A 17 -9.248 -5.670 -7.115 1.00 0.00 C ATOM 222 CG LYS A 17 -10.416 -6.080 -7.989 1.00 0.00 C ATOM 223 CD LYS A 17 -11.649 -6.509 -7.254 1.00 0.00 C ATOM 224 CE LYS A 17 -12.425 -5.486 -6.571 1.00 0.00 C ATOM 225 NZ LYS A 17 -13.002 -4.533 -7.446 1.00 0.00 N ATOM 0 H LYS A 17 -7.255 -5.261 -5.990 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.270 -7.209 -5.645 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.598 -4.943 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.508 -5.165 -7.736 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.673 -5.243 -8.638 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.095 -6.898 -8.635 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.306 -7.007 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.355 -7.255 -6.515 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -13.217 -5.966 -5.997 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.782 -4.970 -5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.635 -3.907 -6.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.250 -3.968 -7.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.546 -5.024 -8.184 1.00 0.00 H new ATOM 239 N ALA A 18 -7.113 -8.151 -7.843 1.00 0.00 N ATOM 240 CA ALA A 18 -6.610 -9.347 -8.467 1.00 0.00 C ATOM 241 C ALA A 18 -5.926 -10.305 -7.522 1.00 0.00 C ATOM 242 O ALA A 18 -6.099 -11.472 -7.632 1.00 0.00 O ATOM 243 CB ALA A 18 -5.702 -8.935 -9.600 1.00 0.00 C ATOM 0 H ALA A 18 -6.480 -7.358 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.463 -9.914 -8.840 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.306 -9.824 -10.091 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.266 -8.343 -10.321 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.877 -8.340 -9.207 1.00 0.00 H new ATOM 249 N GLY A 19 -5.169 -9.827 -6.554 1.00 0.00 N ATOM 250 CA GLY A 19 -4.242 -10.591 -5.760 1.00 0.00 C ATOM 251 C GLY A 19 -4.733 -11.188 -4.471 1.00 0.00 C ATOM 252 O GLY A 19 -4.062 -12.026 -3.937 1.00 0.00 O ATOM 0 H GLY A 19 -5.189 -8.842 -6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.864 -11.404 -6.380 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.394 -9.947 -5.527 1.00 0.00 H new ATOM 256 N GLY A 20 -5.871 -10.772 -3.939 1.00 0.00 N ATOM 257 CA GLY A 20 -6.550 -11.404 -2.839 1.00 0.00 C ATOM 258 C GLY A 20 -5.798 -11.332 -1.530 1.00 0.00 C ATOM 259 O GLY A 20 -5.703 -12.270 -0.850 1.00 0.00 O ATOM 0 H GLY A 20 -6.362 -9.947 -4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.527 -10.937 -2.711 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.727 -12.450 -3.088 1.00 0.00 H new ATOM 263 N PHE A 21 -5.248 -10.217 -1.182 1.00 0.00 N ATOM 264 CA PHE A 21 -4.392 -9.977 -0.054 1.00 0.00 C ATOM 265 C PHE A 21 -5.026 -10.078 1.300 1.00 0.00 C ATOM 266 O PHE A 21 -4.512 -10.668 2.202 1.00 0.00 O ATOM 267 CB PHE A 21 -3.787 -8.603 -0.262 1.00 0.00 C ATOM 268 CG PHE A 21 -2.770 -8.506 -1.367 1.00 0.00 C ATOM 269 CD1 PHE A 21 -3.220 -8.400 -2.684 1.00 0.00 C ATOM 270 CD2 PHE A 21 -1.420 -8.359 -1.067 1.00 0.00 C ATOM 271 CE1 PHE A 21 -2.335 -8.001 -3.682 1.00 0.00 C ATOM 272 CE2 PHE A 21 -0.505 -8.067 -2.076 1.00 0.00 C ATOM 273 CZ PHE A 21 -0.984 -7.882 -3.371 1.00 0.00 C ATOM 0 H PHE A 21 -5.397 -9.368 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.653 -10.778 -0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.592 -7.898 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.318 -8.286 0.669 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -4.248 -8.626 -2.927 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.080 -8.472 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.691 -7.788 -4.679 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.550 -7.986 -1.860 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.285 -7.639 -4.158 1.00 0.00 H new ATOM 293 N ALA B 24 -2.238 -13.691 -2.270 1.00 0.00 N ATOM 294 CA ALA B 24 -0.973 -13.152 -1.835 1.00 0.00 C ATOM 295 C ALA B 24 0.223 -13.593 -2.651 1.00 0.00 C ATOM 296 O ALA B 24 1.345 -13.252 -2.316 1.00 0.00 O ATOM 297 CB ALA B 24 -0.809 -13.364 -0.350 1.00 0.00 C ATOM 0 HA ALA B 24 -1.002 -12.079 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA B 24 0.148 -12.955 -0.028 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -1.616 -12.860 0.181 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -0.840 -14.431 -0.129 1.00 0.00 H new ATOM 303 N LYS B 25 0.045 -14.230 -3.799 1.00 0.00 N ATOM 304 CA LYS B 25 1.079 -14.481 -4.768 1.00 0.00 C ATOM 305 C LYS B 25 1.590 -13.181 -5.353 1.00 0.00 C ATOM 306 O LYS B 25 2.748 -13.073 -5.713 1.00 0.00 O ATOM 307 CB LYS B 25 0.545 -15.363 -5.887 1.00 0.00 C ATOM 308 CG LYS B 25 -0.018 -16.698 -5.467 1.00 0.00 C ATOM 309 CD LYS B 25 -0.599 -17.411 -6.644 1.00 0.00 C ATOM 310 CE LYS B 25 -1.335 -18.617 -6.255 1.00 0.00 C ATOM 311 NZ LYS B 25 -2.062 -19.242 -7.273 1.00 0.00 N ATOM 0 H LYS B 25 -0.863 -14.597 -4.084 1.00 0.00 H new ATOM 0 HA LYS B 25 1.901 -14.990 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS B 25 -0.234 -14.813 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.351 -15.539 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS B 25 0.767 -17.306 -5.017 1.00 0.00 H new ATOM 0 HG3 LYS B 25 -0.785 -16.553 -4.706 1.00 0.00 H new ATOM 0 HD2 LYS B 25 -1.267 -16.737 -7.181 1.00 0.00 H new ATOM 0 HD3 LYS B 25 0.201 -17.682 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS B 25 -0.626 -19.337 -5.847 1.00 0.00 H new ATOM 0 HE3 LYS B 25 -2.023 -18.356 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 -2.543 -20.081 -6.891 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 -2.769 -18.580 -7.651 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 -1.415 -19.530 -8.035 1.00 0.00 H new ATOM 325 N ALA B 26 0.761 -12.151 -5.387 1.00 0.00 N ATOM 326 CA ALA B 26 1.047 -10.787 -5.761 1.00 0.00 C ATOM 327 C ALA B 26 1.848 -10.004 -4.737 1.00 0.00 C ATOM 328 O ALA B 26 2.188 -8.858 -4.970 1.00 0.00 O ATOM 329 CB ALA B 26 -0.304 -10.133 -6.001 1.00 0.00 C ATOM 0 H ALA B 26 -0.219 -12.266 -5.128 1.00 0.00 H new ATOM 0 HA ALA B 26 1.684 -10.788 -6.645 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.158 -9.092 -6.289 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.827 -10.661 -6.799 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.897 -10.177 -5.087 1.00 0.00 H new ATOM 335 N ALA B 27 2.106 -10.543 -3.554 1.00 0.00 N ATOM 336 CA ALA B 27 2.606 -9.856 -2.386 1.00 0.00 C ATOM 337 C ALA B 27 4.113 -9.742 -2.252 1.00 0.00 C ATOM 338 O ALA B 27 4.621 -9.449 -1.177 1.00 0.00 O ATOM 339 CB ALA B 27 1.894 -10.377 -1.154 1.00 0.00 C ATOM 0 H ALA B 27 1.960 -11.537 -3.380 1.00 0.00 H new ATOM 0 HA ALA B 27 2.355 -8.803 -2.517 1.00 0.00 H new ATOM 0 HB1 ALA B 27 2.270 -9.860 -0.271 1.00 0.00 H new ATOM 0 HB2 ALA B 27 0.823 -10.199 -1.250 1.00 0.00 H new ATOM 0 HB3 ALA B 27 2.077 -11.447 -1.053 1.00 0.00 H new ATOM 345 N ALA B 28 4.834 -9.874 -3.359 1.00 0.00 N ATOM 346 CA ALA B 28 6.093 -9.209 -3.591 1.00 0.00 C ATOM 347 C ALA B 28 5.965 -8.124 -4.637 1.00 0.00 C ATOM 348 O ALA B 28 6.328 -6.980 -4.422 1.00 0.00 O ATOM 349 CB ALA B 28 7.163 -10.242 -3.874 1.00 0.00 C ATOM 0 H ALA B 28 4.543 -10.466 -4.137 1.00 0.00 H new ATOM 0 HA ALA B 28 6.406 -8.676 -2.693 1.00 0.00 H new ATOM 0 HB1 ALA B 28 8.115 -9.741 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA B 28 7.258 -10.912 -3.019 1.00 0.00 H new ATOM 0 HB3 ALA B 28 6.888 -10.818 -4.757 1.00 0.00 H new ATOM 355 N ALA B 29 5.337 -8.415 -5.771 1.00 0.00 N ATOM 356 CA ALA B 29 5.179 -7.566 -6.929 1.00 0.00 C ATOM 357 C ALA B 29 4.419 -6.289 -6.635 1.00 0.00 C ATOM 358 O ALA B 29 4.773 -5.245 -7.156 1.00 0.00 O ATOM 359 CB ALA B 29 4.594 -8.362 -8.063 1.00 0.00 C ATOM 0 H ALA B 29 4.893 -9.323 -5.907 1.00 0.00 H new ATOM 0 HA ALA B 29 6.166 -7.220 -7.234 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.476 -7.719 -8.936 1.00 0.00 H new ATOM 0 HB2 ALA B 29 5.260 -9.189 -8.309 1.00 0.00 H new ATOM 0 HB3 ALA B 29 3.621 -8.755 -7.768 1.00 0.00 H new ATOM 365 N ALA B 30 3.422 -6.328 -5.763 1.00 0.00 N ATOM 366 CA ALA B 30 2.677 -5.167 -5.337 1.00 0.00 C ATOM 367 C ALA B 30 3.539 -4.261 -4.487 1.00 0.00 C ATOM 368 O ALA B 30 3.508 -3.048 -4.591 1.00 0.00 O ATOM 369 CB ALA B 30 1.444 -5.660 -4.607 1.00 0.00 C ATOM 0 H ALA B 30 3.106 -7.193 -5.325 1.00 0.00 H new ATOM 0 HA ALA B 30 2.367 -4.563 -6.190 1.00 0.00 H new ATOM 0 HB1 ALA B 30 0.855 -4.807 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA B 30 0.843 -6.272 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA B 30 1.745 -6.256 -3.746 1.00 0.00 H new ATOM 375 N ILE B 31 4.350 -4.873 -3.628 1.00 0.00 N ATOM 376 CA ILE B 31 5.170 -4.177 -2.665 1.00 0.00 C ATOM 377 C ILE B 31 6.327 -3.493 -3.370 1.00 0.00 C ATOM 378 O ILE B 31 6.651 -2.357 -3.062 1.00 0.00 O ATOM 379 CB ILE B 31 5.750 -5.137 -1.639 1.00 0.00 C ATOM 380 CG1 ILE B 31 4.766 -6.181 -1.132 1.00 0.00 C ATOM 381 CG2 ILE B 31 6.241 -4.259 -0.494 1.00 0.00 C ATOM 382 CD1 ILE B 31 3.576 -5.638 -0.361 1.00 0.00 C ATOM 0 H ILE B 31 4.451 -5.887 -3.589 1.00 0.00 H new ATOM 0 HA ILE B 31 4.536 -3.447 -2.162 1.00 0.00 H new ATOM 0 HB ILE B 31 6.545 -5.724 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.395 -6.750 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE B 31 5.303 -6.880 -0.491 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.674 -4.886 0.286 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.997 -3.567 -0.865 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.404 -3.695 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.939 -6.464 -0.046 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.928 -5.096 0.517 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.006 -4.963 -1.000 1.00 0.00 H new ATOM 394 N LYS B 32 6.956 -4.186 -4.313 1.00 0.00 N ATOM 395 CA LYS B 32 8.155 -3.750 -4.987 1.00 0.00 C ATOM 396 C LYS B 32 7.900 -2.630 -5.976 1.00 0.00 C ATOM 397 O LYS B 32 8.790 -1.845 -6.233 1.00 0.00 O ATOM 398 CB LYS B 32 8.830 -4.932 -5.648 1.00 0.00 C ATOM 399 CG LYS B 32 9.556 -5.825 -4.656 1.00 0.00 C ATOM 400 CD LYS B 32 10.347 -6.916 -5.318 1.00 0.00 C ATOM 401 CE LYS B 32 11.016 -7.771 -4.312 1.00 0.00 C ATOM 402 NZ LYS B 32 11.830 -8.779 -4.847 1.00 0.00 N ATOM 0 H LYS B 32 6.627 -5.097 -4.634 1.00 0.00 H new ATOM 0 HA LYS B 32 8.824 -3.333 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS B 32 8.083 -5.520 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS B 32 9.540 -4.570 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.226 -5.215 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS B 32 8.829 -6.271 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS B 32 9.687 -7.524 -5.937 1.00 0.00 H new ATOM 0 HD3 LYS B 32 11.092 -6.478 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS B 32 11.623 -7.139 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS B 32 10.254 -8.233 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 12.257 -9.327 -4.073 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 11.256 -9.409 -5.442 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 12.582 -8.349 -5.423 1.00 0.00 H new ATOM 416 N ALA B 33 6.660 -2.500 -6.428 1.00 0.00 N ATOM 417 CA ALA B 33 6.120 -1.278 -6.972 1.00 0.00 C ATOM 418 C ALA B 33 5.996 -0.187 -5.928 1.00 0.00 C ATOM 419 O ALA B 33 6.742 0.778 -5.959 1.00 0.00 O ATOM 420 CB ALA B 33 4.821 -1.590 -7.693 1.00 0.00 C ATOM 0 H ALA B 33 5.989 -3.268 -6.423 1.00 0.00 H new ATOM 0 HA ALA B 33 6.816 -0.867 -7.703 1.00 0.00 H new ATOM 0 HB1 ALA B 33 4.405 -0.672 -8.108 1.00 0.00 H new ATOM 0 HB2 ALA B 33 5.013 -2.298 -8.499 1.00 0.00 H new ATOM 0 HB3 ALA B 33 4.110 -2.025 -6.990 1.00 0.00 H new ATOM 426 N ILE B 34 5.112 -0.378 -4.951 1.00 0.00 N ATOM 427 CA ILE B 34 4.706 0.684 -4.060 1.00 0.00 C ATOM 428 C ILE B 34 5.867 1.210 -3.236 1.00 0.00 C ATOM 429 O ILE B 34 6.077 2.417 -3.251 1.00 0.00 O ATOM 430 CB ILE B 34 3.461 0.301 -3.269 1.00 0.00 C ATOM 431 CG1 ILE B 34 2.780 1.543 -2.814 1.00 0.00 C ATOM 432 CG2 ILE B 34 3.696 -0.614 -2.115 1.00 0.00 C ATOM 433 CD1 ILE B 34 1.511 1.433 -2.014 1.00 0.00 C ATOM 0 H ILE B 34 4.663 -1.274 -4.763 1.00 0.00 H new ATOM 0 HA ILE B 34 4.399 1.543 -4.657 1.00 0.00 H new ATOM 0 HB ILE B 34 2.833 -0.273 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE B 34 3.495 2.110 -2.218 1.00 0.00 H new ATOM 0 HG13 ILE B 34 2.559 2.139 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.749 -0.825 -1.619 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.134 -1.546 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.378 -0.141 -1.408 1.00 0.00 H new ATOM 0 HD11 ILE B 34 1.150 2.431 -1.766 1.00 0.00 H new ATOM 0 HD12 ILE B 34 0.756 0.909 -2.600 1.00 0.00 H new ATOM 0 HD13 ILE B 34 1.707 0.879 -1.096 1.00 0.00 H new ATOM 445 N ALA B 35 6.679 0.370 -2.597 1.00 0.00 N ATOM 446 CA ALA B 35 7.757 0.817 -1.747 1.00 0.00 C ATOM 447 C ALA B 35 8.967 1.354 -2.483 1.00 0.00 C ATOM 448 O ALA B 35 9.960 1.609 -1.877 1.00 0.00 O ATOM 449 CB ALA B 35 8.036 -0.275 -0.725 1.00 0.00 C ATOM 0 H ALA B 35 6.599 -0.645 -2.661 1.00 0.00 H new ATOM 0 HA ALA B 35 7.443 1.713 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.848 0.039 -0.069 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.140 -0.455 -0.131 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.320 -1.192 -1.241 1.00 0.00 H new ATOM 455 N ALA B 36 8.860 1.591 -3.773 1.00 0.00 N ATOM 456 CA ALA B 36 9.670 2.489 -4.560 1.00 0.00 C ATOM 457 C ALA B 36 8.971 3.767 -4.935 1.00 0.00 C ATOM 458 O ALA B 36 9.517 4.845 -4.790 1.00 0.00 O ATOM 459 CB ALA B 36 10.179 1.746 -5.761 1.00 0.00 C ATOM 0 H ALA B 36 8.151 1.125 -4.339 1.00 0.00 H new ATOM 0 HA ALA B 36 10.509 2.816 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA B 36 10.794 2.412 -6.367 1.00 0.00 H new ATOM 0 HB2 ALA B 36 10.777 0.895 -5.436 1.00 0.00 H new ATOM 0 HB3 ALA B 36 9.336 1.391 -6.354 1.00 0.00 H new ATOM 465 N ILE B 37 7.698 3.693 -5.316 1.00 0.00 N ATOM 466 CA ILE B 37 6.799 4.790 -5.587 1.00 0.00 C ATOM 467 C ILE B 37 6.634 5.700 -4.385 1.00 0.00 C ATOM 468 O ILE B 37 6.688 6.912 -4.520 1.00 0.00 O ATOM 469 CB ILE B 37 5.476 4.280 -6.137 1.00 0.00 C ATOM 470 CG1 ILE B 37 5.697 3.515 -7.433 1.00 0.00 C ATOM 471 CG2 ILE B 37 4.517 5.432 -6.378 1.00 0.00 C ATOM 472 CD1 ILE B 37 4.611 2.536 -7.838 1.00 0.00 C ATOM 0 H ILE B 37 7.242 2.791 -5.451 1.00 0.00 H new ATOM 0 HA ILE B 37 7.246 5.411 -6.363 1.00 0.00 H new ATOM 0 HB ILE B 37 5.040 3.607 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE B 37 5.821 4.239 -8.239 1.00 0.00 H new ATOM 0 HG13 ILE B 37 6.636 2.967 -7.349 1.00 0.00 H new ATOM 0 HG21 ILE B 37 3.577 5.046 -6.771 1.00 0.00 H new ATOM 0 HG22 ILE B 37 4.331 5.953 -5.439 1.00 0.00 H new ATOM 0 HG23 ILE B 37 4.954 6.125 -7.097 1.00 0.00 H new ATOM 0 HD11 ILE B 37 4.886 2.055 -8.777 1.00 0.00 H new ATOM 0 HD12 ILE B 37 4.496 1.779 -7.063 1.00 0.00 H new ATOM 0 HD13 ILE B 37 3.669 3.070 -7.966 1.00 0.00 H new ATOM 484 N ILE B 38 6.554 5.165 -3.171 1.00 0.00 N ATOM 485 CA ILE B 38 6.638 5.768 -1.859 1.00 0.00 C ATOM 486 C ILE B 38 7.781 6.764 -1.780 1.00 0.00 C ATOM 487 O ILE B 38 7.617 7.930 -1.487 1.00 0.00 O ATOM 488 CB ILE B 38 6.833 4.677 -0.812 1.00 0.00 C ATOM 489 CG1 ILE B 38 5.581 3.817 -0.737 1.00 0.00 C ATOM 490 CG2 ILE B 38 7.146 5.236 0.566 1.00 0.00 C ATOM 491 CD1 ILE B 38 4.446 4.240 0.166 1.00 0.00 C ATOM 0 H ILE B 38 6.409 4.159 -3.082 1.00 0.00 H new ATOM 0 HA ILE B 38 5.709 6.306 -1.669 1.00 0.00 H new ATOM 0 HB ILE B 38 7.691 4.081 -1.122 1.00 0.00 H new ATOM 0 HG12 ILE B 38 5.181 3.732 -1.747 1.00 0.00 H new ATOM 0 HG13 ILE B 38 5.888 2.817 -0.430 1.00 0.00 H new ATOM 0 HG21 ILE B 38 7.275 4.415 1.271 1.00 0.00 H new ATOM 0 HG22 ILE B 38 8.063 5.823 0.521 1.00 0.00 H new ATOM 0 HG23 ILE B 38 6.324 5.872 0.896 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.636 3.514 0.097 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.800 4.292 1.196 1.00 0.00 H new ATOM 0 HD13 ILE B 38 4.082 5.220 -0.142 1.00 0.00 H new ATOM 503 N LYS B 39 8.985 6.251 -1.997 1.00 0.00 N ATOM 504 CA LYS B 39 10.278 6.885 -1.874 1.00 0.00 C ATOM 505 C LYS B 39 10.467 7.971 -2.917 1.00 0.00 C ATOM 506 O LYS B 39 11.019 9.008 -2.643 1.00 0.00 O ATOM 507 CB LYS B 39 11.256 5.741 -2.080 1.00 0.00 C ATOM 508 CG LYS B 39 11.307 4.720 -0.984 1.00 0.00 C ATOM 509 CD LYS B 39 12.424 3.722 -1.216 1.00 0.00 C ATOM 510 CE LYS B 39 12.477 2.706 -0.141 1.00 0.00 C ATOM 511 NZ LYS B 39 13.439 1.675 -0.413 1.00 0.00 N ATOM 0 H LYS B 39 9.082 5.280 -2.294 1.00 0.00 H new ATOM 0 HA LYS B 39 10.411 7.387 -0.916 1.00 0.00 H new ATOM 0 HB2 LYS B 39 11.002 5.234 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS B 39 12.254 6.160 -2.207 1.00 0.00 H new ATOM 0 HG2 LYS B 39 11.454 5.218 -0.026 1.00 0.00 H new ATOM 0 HG3 LYS B 39 10.353 4.196 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS B 39 12.279 3.229 -2.177 1.00 0.00 H new ATOM 0 HD3 LYS B 39 13.378 4.248 -1.268 1.00 0.00 H new ATOM 0 HE2 LYS B 39 12.725 3.191 0.803 1.00 0.00 H new ATOM 0 HE3 LYS B 39 11.491 2.257 -0.019 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 13.440 0.987 0.367 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 13.189 1.193 -1.300 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 14.385 2.098 -0.503 1.00 0.00 H new ATOM 525 N ALA B 40 9.964 7.721 -4.115 1.00 0.00 N ATOM 526 CA ALA B 40 9.959 8.592 -5.267 1.00 0.00 C ATOM 527 C ALA B 40 8.945 9.712 -5.152 1.00 0.00 C ATOM 528 O ALA B 40 9.241 10.834 -5.525 1.00 0.00 O ATOM 529 CB ALA B 40 9.694 7.727 -6.480 1.00 0.00 C ATOM 0 H ALA B 40 9.513 6.829 -4.317 1.00 0.00 H new ATOM 0 HA ALA B 40 10.924 9.092 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA B 40 9.682 8.349 -7.375 1.00 0.00 H new ATOM 0 HB2 ALA B 40 10.479 6.976 -6.570 1.00 0.00 H new ATOM 0 HB3 ALA B 40 8.729 7.231 -6.370 1.00 0.00 H new ATOM 535 N GLY B 41 7.773 9.447 -4.590 1.00 0.00 N ATOM 536 CA GLY B 41 6.817 10.438 -4.200 1.00 0.00 C ATOM 537 C GLY B 41 7.348 11.376 -3.143 1.00 0.00 C ATOM 538 O GLY B 41 7.429 12.572 -3.337 1.00 0.00 O ATOM 0 H GLY B 41 7.464 8.495 -4.392 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.520 11.015 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.921 9.944 -3.825 1.00 0.00 H new ATOM 542 N GLY B 42 7.739 10.801 -2.017 1.00 0.00 N ATOM 543 CA GLY B 42 8.132 11.469 -0.813 1.00 0.00 C ATOM 544 C GLY B 42 7.153 11.321 0.330 1.00 0.00 C ATOM 545 O GLY B 42 7.207 12.067 1.263 1.00 0.00 O ATOM 0 H GLY B 42 7.789 9.786 -1.927 1.00 0.00 H new ATOM 0 HA2 GLY B 42 9.101 11.083 -0.498 1.00 0.00 H new ATOM 0 HA3 GLY B 42 8.265 12.530 -1.027 1.00 0.00 H new ATOM 549 N PHE B 43 6.256 10.374 0.274 1.00 0.00 N ATOM 550 CA PHE B 43 5.247 10.091 1.258 1.00 0.00 C ATOM 551 C PHE B 43 5.556 8.903 2.127 1.00 0.00 C ATOM 552 O PHE B 43 4.945 8.671 3.142 1.00 0.00 O ATOM 553 CB PHE B 43 3.871 10.105 0.625 1.00 0.00 C ATOM 554 CG PHE B 43 3.469 9.201 -0.509 1.00 0.00 C ATOM 555 CD1 PHE B 43 4.332 8.448 -1.294 1.00 0.00 C ATOM 556 CD2 PHE B 43 2.123 9.214 -0.822 1.00 0.00 C ATOM 557 CE1 PHE B 43 3.893 7.786 -2.440 1.00 0.00 C ATOM 558 CE2 PHE B 43 1.652 8.500 -1.923 1.00 0.00 C ATOM 559 CZ PHE B 43 2.539 7.830 -2.758 1.00 0.00 C ATOM 0 H PHE B 43 6.208 9.734 -0.519 1.00 0.00 H new ATOM 0 HA PHE B 43 5.248 10.902 1.987 1.00 0.00 H new ATOM 0 HB2 PHE B 43 3.161 9.921 1.431 1.00 0.00 H new ATOM 0 HB3 PHE B 43 3.703 11.125 0.279 1.00 0.00 H new ATOM 0 HD1 PHE B 43 5.371 8.373 -1.009 1.00 0.00 H new ATOM 0 HD2 PHE B 43 1.434 9.779 -0.212 1.00 0.00 H new ATOM 0 HE1 PHE B 43 4.589 7.250 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE B 43 0.592 8.467 -2.128 1.00 0.00 H new ATOM 0 HZ PHE B 43 2.178 7.344 -3.652 1.00 0.00 H new ATOM 579 N ALA C 46 -6.776 11.489 -1.176 1.00 0.00 N ATOM 580 CA ALA C 46 -5.436 11.529 -0.649 1.00 0.00 C ATOM 581 C ALA C 46 -5.259 12.440 0.548 1.00 0.00 C ATOM 582 O ALA C 46 -4.162 12.547 1.063 1.00 0.00 O ATOM 583 CB ALA C 46 -4.521 11.838 -1.814 1.00 0.00 C ATOM 0 HA ALA C 46 -5.176 10.561 -0.219 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.489 11.879 -1.465 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.618 11.058 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.796 12.799 -2.248 1.00 0.00 H new ATOM 589 N LYS C 47 -6.306 13.048 1.089 1.00 0.00 N ATOM 590 CA LYS C 47 -6.368 13.533 2.445 1.00 0.00 C ATOM 591 C LYS C 47 -6.098 12.473 3.487 1.00 0.00 C ATOM 592 O LYS C 47 -5.398 12.732 4.416 1.00 0.00 O ATOM 593 CB LYS C 47 -7.702 14.185 2.742 1.00 0.00 C ATOM 594 CG LYS C 47 -7.898 15.485 2.040 1.00 0.00 C ATOM 595 CD LYS C 47 -9.145 16.145 2.476 1.00 0.00 C ATOM 596 CE LYS C 47 -9.452 17.415 1.783 1.00 0.00 C ATOM 597 NZ LYS C 47 -8.583 18.431 2.115 1.00 0.00 N ATOM 0 H LYS C 47 -7.166 13.220 0.567 1.00 0.00 H new ATOM 0 HA LYS C 47 -5.568 14.270 2.512 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -8.503 13.503 2.456 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -7.788 14.345 3.817 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -7.049 16.139 2.237 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -7.929 15.319 0.963 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -9.976 15.456 2.325 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -9.081 16.338 3.547 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -9.418 17.252 0.706 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -10.470 17.720 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -8.886 19.312 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -8.582 18.563 3.147 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -7.624 18.186 1.796 1.00 0.00 H new ATOM 611 N ALA C 48 -6.530 11.250 3.237 1.00 0.00 N ATOM 612 CA ALA C 48 -6.267 10.040 3.971 1.00 0.00 C ATOM 613 C ALA C 48 -4.902 9.423 3.743 1.00 0.00 C ATOM 614 O ALA C 48 -4.604 8.384 4.307 1.00 0.00 O ATOM 615 CB ALA C 48 -7.350 9.051 3.587 1.00 0.00 C ATOM 0 H ALA C 48 -7.133 11.070 2.434 1.00 0.00 H new ATOM 0 HA ALA C 48 -6.271 10.294 5.031 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.193 8.114 4.121 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -8.326 9.459 3.851 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.312 8.868 2.513 1.00 0.00 H new ATOM 621 N ALA C 49 -4.041 10.024 2.926 1.00 0.00 N ATOM 622 CA ALA C 49 -2.739 9.498 2.594 1.00 0.00 C ATOM 623 C ALA C 49 -1.824 9.303 3.789 1.00 0.00 C ATOM 624 O ALA C 49 -1.401 8.182 4.033 1.00 0.00 O ATOM 625 CB ALA C 49 -2.129 10.315 1.465 1.00 0.00 C ATOM 0 H ALA C 49 -4.244 10.913 2.469 1.00 0.00 H new ATOM 0 HA ALA C 49 -2.873 8.479 2.231 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -1.146 9.915 1.217 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -2.774 10.262 0.588 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -2.029 11.354 1.780 1.00 0.00 H new ATOM 631 N ALA C 50 -1.578 10.308 4.625 1.00 0.00 N ATOM 632 CA ALA C 50 -0.698 10.241 5.770 1.00 0.00 C ATOM 633 C ALA C 50 -1.138 9.252 6.827 1.00 0.00 C ATOM 634 O ALA C 50 -0.362 8.874 7.649 1.00 0.00 O ATOM 635 CB ALA C 50 -0.506 11.653 6.286 1.00 0.00 C ATOM 0 H ALA C 50 -2.008 11.226 4.511 1.00 0.00 H new ATOM 0 HA ALA C 50 0.266 9.836 5.462 1.00 0.00 H new ATOM 0 HB1 ALA C 50 0.155 11.637 7.153 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -0.064 12.269 5.503 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -1.471 12.070 6.574 1.00 0.00 H new ATOM 641 N ALA C 51 -2.344 8.720 6.785 1.00 0.00 N ATOM 642 CA ALA C 51 -2.775 7.529 7.477 1.00 0.00 C ATOM 643 C ALA C 51 -2.553 6.228 6.735 1.00 0.00 C ATOM 644 O ALA C 51 -2.034 5.287 7.311 1.00 0.00 O ATOM 645 CB ALA C 51 -4.227 7.731 7.854 1.00 0.00 C ATOM 0 H ALA C 51 -3.093 9.137 6.231 1.00 0.00 H new ATOM 0 HA ALA C 51 -2.146 7.407 8.359 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -4.592 6.850 8.381 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -4.317 8.604 8.501 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -4.819 7.885 6.952 1.00 0.00 H new ATOM 651 N ALA C 52 -2.876 6.127 5.451 1.00 0.00 N ATOM 652 CA ALA C 52 -2.755 4.920 4.671 1.00 0.00 C ATOM 653 C ALA C 52 -1.308 4.500 4.512 1.00 0.00 C ATOM 654 O ALA C 52 -0.929 3.356 4.711 1.00 0.00 O ATOM 655 CB ALA C 52 -3.402 5.175 3.323 1.00 0.00 C ATOM 0 H ALA C 52 -3.241 6.914 4.915 1.00 0.00 H new ATOM 0 HA ALA C 52 -3.257 4.098 5.182 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -3.327 4.278 2.708 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -4.452 5.430 3.466 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -2.893 6.000 2.825 1.00 0.00 H new ATOM 661 N ILE C 53 -0.503 5.476 4.096 1.00 0.00 N ATOM 662 CA ILE C 53 0.885 5.312 3.732 1.00 0.00 C ATOM 663 C ILE C 53 1.696 4.907 4.948 1.00 0.00 C ATOM 664 O ILE C 53 2.518 4.011 4.853 1.00 0.00 O ATOM 665 CB ILE C 53 1.433 6.607 3.162 1.00 0.00 C ATOM 666 CG1 ILE C 53 0.670 7.176 1.979 1.00 0.00 C ATOM 667 CG2 ILE C 53 2.893 6.441 2.818 1.00 0.00 C ATOM 668 CD1 ILE C 53 0.817 6.456 0.663 1.00 0.00 C ATOM 0 H ILE C 53 -0.823 6.440 4.003 1.00 0.00 H new ATOM 0 HA ILE C 53 0.958 4.531 2.975 1.00 0.00 H new ATOM 0 HB ILE C 53 1.303 7.345 3.954 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -0.389 7.198 2.237 1.00 0.00 H new ATOM 0 HG13 ILE C 53 0.985 8.210 1.837 1.00 0.00 H new ATOM 0 HG21 ILE C 53 3.279 7.375 2.409 1.00 0.00 H new ATOM 0 HG22 ILE C 53 3.451 6.180 3.717 1.00 0.00 H new ATOM 0 HG23 ILE C 53 3.005 5.648 2.079 1.00 0.00 H new ATOM 0 HD11 ILE C 53 0.223 6.963 -0.097 1.00 0.00 H new ATOM 0 HD12 ILE C 53 1.865 6.455 0.364 1.00 0.00 H new ATOM 0 HD13 ILE C 53 0.470 5.428 0.770 1.00 0.00 H new ATOM 680 N LYS C 54 1.446 5.518 6.099 1.00 0.00 N ATOM 681 CA LYS C 54 2.097 5.210 7.352 1.00 0.00 C ATOM 682 C LYS C 54 1.740 3.839 7.897 1.00 0.00 C ATOM 683 O LYS C 54 2.595 3.154 8.372 1.00 0.00 O ATOM 684 CB LYS C 54 1.798 6.317 8.351 1.00 0.00 C ATOM 685 CG LYS C 54 2.537 7.578 7.958 1.00 0.00 C ATOM 686 CD LYS C 54 2.573 8.622 9.029 1.00 0.00 C ATOM 687 CE LYS C 54 3.227 9.834 8.558 1.00 0.00 C ATOM 688 NZ LYS C 54 3.300 10.818 9.591 1.00 0.00 N ATOM 0 H LYS C 54 0.759 6.267 6.181 1.00 0.00 H new ATOM 0 HA LYS C 54 3.171 5.164 7.171 1.00 0.00 H new ATOM 0 HB2 LYS C 54 0.726 6.509 8.384 1.00 0.00 H new ATOM 0 HB3 LYS C 54 2.098 6.006 9.352 1.00 0.00 H new ATOM 0 HG2 LYS C 54 3.559 7.317 7.685 1.00 0.00 H new ATOM 0 HG3 LYS C 54 2.067 8.000 7.069 1.00 0.00 H new ATOM 0 HD2 LYS C 54 1.557 8.854 9.349 1.00 0.00 H new ATOM 0 HD3 LYS C 54 3.101 8.235 9.900 1.00 0.00 H new ATOM 0 HE2 LYS C 54 4.231 9.596 8.208 1.00 0.00 H new ATOM 0 HE3 LYS C 54 2.680 10.238 7.706 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 3.771 11.670 9.226 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 2.340 11.062 9.907 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 3.843 10.439 10.393 1.00 0.00 H new ATOM 702 N ALA C 55 0.509 3.404 7.719 1.00 0.00 N ATOM 703 CA ALA C 55 0.044 2.087 8.084 1.00 0.00 C ATOM 704 C ALA C 55 0.493 0.967 7.168 1.00 0.00 C ATOM 705 O ALA C 55 0.317 -0.203 7.468 1.00 0.00 O ATOM 706 CB ALA C 55 -1.468 2.132 8.223 1.00 0.00 C ATOM 0 H ALA C 55 -0.220 3.982 7.300 1.00 0.00 H new ATOM 0 HA ALA C 55 0.512 1.835 9.036 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -1.838 1.144 8.499 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -1.741 2.850 8.996 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -1.912 2.434 7.274 1.00 0.00 H new ATOM 712 N ILE C 56 1.126 1.311 6.058 1.00 0.00 N ATOM 713 CA ILE C 56 1.869 0.405 5.211 1.00 0.00 C ATOM 714 C ILE C 56 3.370 0.617 5.293 1.00 0.00 C ATOM 715 O ILE C 56 4.037 -0.298 5.759 1.00 0.00 O ATOM 716 CB ILE C 56 1.243 0.395 3.826 1.00 0.00 C ATOM 717 CG1 ILE C 56 0.762 -0.964 3.407 1.00 0.00 C ATOM 718 CG2 ILE C 56 2.013 1.084 2.732 1.00 0.00 C ATOM 719 CD1 ILE C 56 1.792 -1.969 3.008 1.00 0.00 C ATOM 0 H ILE C 56 1.134 2.271 5.712 1.00 0.00 H new ATOM 0 HA ILE C 56 1.784 -0.618 5.577 1.00 0.00 H new ATOM 0 HB ILE C 56 0.370 1.033 3.963 1.00 0.00 H new ATOM 0 HG12 ILE C 56 0.184 -1.384 4.230 1.00 0.00 H new ATOM 0 HG13 ILE C 56 0.077 -0.834 2.569 1.00 0.00 H new ATOM 0 HG21 ILE C 56 1.462 1.007 1.795 1.00 0.00 H new ATOM 0 HG22 ILE C 56 2.148 2.135 2.988 1.00 0.00 H new ATOM 0 HG23 ILE C 56 2.988 0.610 2.619 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.302 -2.902 2.731 1.00 0.00 H new ATOM 0 HD12 ILE C 56 2.359 -1.591 2.158 1.00 0.00 H new ATOM 0 HD13 ILE C 56 2.468 -2.149 3.844 1.00 0.00 H new ATOM 731 N ALA C 57 3.956 1.768 4.962 1.00 0.00 N ATOM 732 CA ALA C 57 5.373 1.909 4.727 1.00 0.00 C ATOM 733 C ALA C 57 6.245 1.855 5.959 1.00 0.00 C ATOM 734 O ALA C 57 7.427 1.674 5.827 1.00 0.00 O ATOM 735 CB ALA C 57 5.614 3.142 3.890 1.00 0.00 C ATOM 0 H ALA C 57 3.439 2.640 4.850 1.00 0.00 H new ATOM 0 HA ALA C 57 5.690 1.023 4.177 1.00 0.00 H new ATOM 0 HB1 ALA C 57 6.683 3.255 3.708 1.00 0.00 H new ATOM 0 HB2 ALA C 57 5.092 3.043 2.938 1.00 0.00 H new ATOM 0 HB3 ALA C 57 5.241 4.019 4.419 1.00 0.00 H new ATOM 741 N ALA C 58 5.661 1.864 7.149 1.00 0.00 N ATOM 742 CA ALA C 58 6.332 1.504 8.376 1.00 0.00 C ATOM 743 C ALA C 58 6.232 0.027 8.701 1.00 0.00 C ATOM 744 O ALA C 58 7.123 -0.544 9.265 1.00 0.00 O ATOM 745 CB ALA C 58 5.803 2.373 9.502 1.00 0.00 C ATOM 0 H ALA C 58 4.685 2.129 7.284 1.00 0.00 H new ATOM 0 HA ALA C 58 7.398 1.689 8.247 1.00 0.00 H new ATOM 0 HB1 ALA C 58 6.305 2.108 10.433 1.00 0.00 H new ATOM 0 HB2 ALA C 58 5.994 3.421 9.273 1.00 0.00 H new ATOM 0 HB3 ALA C 58 4.730 2.215 9.610 1.00 0.00 H new ATOM 751 N ILE C 59 5.179 -0.634 8.273 1.00 0.00 N ATOM 752 CA ILE C 59 4.892 -2.045 8.381 1.00 0.00 C ATOM 753 C ILE C 59 5.679 -2.840 7.355 1.00 0.00 C ATOM 754 O ILE C 59 6.230 -3.852 7.754 1.00 0.00 O ATOM 755 CB ILE C 59 3.384 -2.245 8.402 1.00 0.00 C ATOM 756 CG1 ILE C 59 2.756 -1.880 9.735 1.00 0.00 C ATOM 757 CG2 ILE C 59 2.988 -3.667 8.052 1.00 0.00 C ATOM 758 CD1 ILE C 59 2.660 -0.411 10.064 1.00 0.00 C ATOM 0 H ILE C 59 4.426 -0.144 7.791 1.00 0.00 H new ATOM 0 HA ILE C 59 5.244 -2.458 9.326 1.00 0.00 H new ATOM 0 HB ILE C 59 3.003 -1.565 7.640 1.00 0.00 H new ATOM 0 HG12 ILE C 59 1.751 -2.300 9.763 1.00 0.00 H new ATOM 0 HG13 ILE C 59 3.328 -2.368 10.524 1.00 0.00 H new ATOM 0 HG21 ILE C 59 1.902 -3.760 8.080 1.00 0.00 H new ATOM 0 HG22 ILE C 59 3.347 -3.909 7.052 1.00 0.00 H new ATOM 0 HG23 ILE C 59 3.430 -4.356 8.772 1.00 0.00 H new ATOM 0 HD11 ILE C 59 2.193 -0.287 11.041 1.00 0.00 H new ATOM 0 HD12 ILE C 59 3.659 0.024 10.081 1.00 0.00 H new ATOM 0 HD13 ILE C 59 2.058 0.093 9.308 1.00 0.00 H new ATOM 770 N ILE C 60 5.834 -2.390 6.117 1.00 0.00 N ATOM 771 CA ILE C 60 6.775 -2.821 5.110 1.00 0.00 C ATOM 772 C ILE C 60 8.097 -3.260 5.710 1.00 0.00 C ATOM 773 O ILE C 60 8.563 -4.367 5.487 1.00 0.00 O ATOM 774 CB ILE C 60 7.087 -1.691 4.136 1.00 0.00 C ATOM 775 CG1 ILE C 60 5.923 -1.289 3.243 1.00 0.00 C ATOM 776 CG2 ILE C 60 8.204 -2.041 3.164 1.00 0.00 C ATOM 777 CD1 ILE C 60 5.317 -2.311 2.320 1.00 0.00 C ATOM 0 H ILE C 60 5.241 -1.639 5.765 1.00 0.00 H new ATOM 0 HA ILE C 60 6.300 -3.660 4.602 1.00 0.00 H new ATOM 0 HB ILE C 60 7.358 -0.879 4.810 1.00 0.00 H new ATOM 0 HG12 ILE C 60 5.127 -0.918 3.889 1.00 0.00 H new ATOM 0 HG13 ILE C 60 6.254 -0.450 2.631 1.00 0.00 H new ATOM 0 HG21 ILE C 60 8.382 -1.199 2.495 1.00 0.00 H new ATOM 0 HG22 ILE C 60 9.115 -2.261 3.721 1.00 0.00 H new ATOM 0 HG23 ILE C 60 7.917 -2.914 2.579 1.00 0.00 H new ATOM 0 HD11 ILE C 60 4.501 -1.856 1.759 1.00 0.00 H new ATOM 0 HD12 ILE C 60 6.077 -2.672 1.627 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.933 -3.147 2.905 1.00 0.00 H new ATOM 789 N LYS C 61 8.688 -2.322 6.437 1.00 0.00 N ATOM 790 CA LYS C 61 10.031 -2.321 6.963 1.00 0.00 C ATOM 791 C LYS C 61 10.209 -3.299 8.105 1.00 0.00 C ATOM 792 O LYS C 61 11.173 -4.027 8.170 1.00 0.00 O ATOM 793 CB LYS C 61 10.251 -0.895 7.440 1.00 0.00 C ATOM 794 CG LYS C 61 10.396 0.108 6.319 1.00 0.00 C ATOM 795 CD LYS C 61 10.725 1.491 6.831 1.00 0.00 C ATOM 796 CE LYS C 61 10.797 2.508 5.725 1.00 0.00 C ATOM 797 NZ LYS C 61 9.864 3.261 5.516 1.00 0.00 N ATOM 0 H LYS C 61 8.189 -1.470 6.692 1.00 0.00 H new ATOM 0 HA LYS C 61 10.750 -2.635 6.206 1.00 0.00 H new ATOM 0 HB2 LYS C 61 9.414 -0.600 8.073 1.00 0.00 H new ATOM 0 HB3 LYS C 61 11.146 -0.864 8.061 1.00 0.00 H new ATOM 0 HG2 LYS C 61 11.180 -0.222 5.638 1.00 0.00 H new ATOM 0 HG3 LYS C 61 9.470 0.145 5.745 1.00 0.00 H new ATOM 0 HD2 LYS C 61 9.969 1.797 7.554 1.00 0.00 H new ATOM 0 HD3 LYS C 61 11.678 1.463 7.358 1.00 0.00 H new ATOM 0 HE2 LYS C 61 11.674 3.127 5.914 1.00 0.00 H new ATOM 0 HE3 LYS C 61 10.985 1.964 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 9.934 3.640 4.550 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 8.969 2.742 5.621 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 9.891 4.045 6.198 1.00 0.00 H new ATOM 811 N ALA C 62 9.195 -3.349 8.956 1.00 0.00 N ATOM 812 CA ALA C 62 9.045 -4.299 10.028 1.00 0.00 C ATOM 813 C ALA C 62 8.785 -5.694 9.517 1.00 0.00 C ATOM 814 O ALA C 62 9.330 -6.614 10.077 1.00 0.00 O ATOM 815 CB ALA C 62 7.956 -3.836 10.959 1.00 0.00 C ATOM 0 H ALA C 62 8.418 -2.690 8.908 1.00 0.00 H new ATOM 0 HA ALA C 62 9.984 -4.349 10.579 1.00 0.00 H new ATOM 0 HB1 ALA C 62 7.842 -4.554 11.771 1.00 0.00 H new ATOM 0 HB2 ALA C 62 8.219 -2.862 11.371 1.00 0.00 H new ATOM 0 HB3 ALA C 62 7.018 -3.756 10.410 1.00 0.00 H new ATOM 821 N GLY C 63 8.017 -5.825 8.446 1.00 0.00 N ATOM 822 CA GLY C 63 7.713 -7.088 7.816 1.00 0.00 C ATOM 823 C GLY C 63 8.892 -7.663 7.066 1.00 0.00 C ATOM 824 O GLY C 63 9.269 -8.796 7.290 1.00 0.00 O ATOM 0 H GLY C 63 7.579 -5.029 7.983 1.00 0.00 H new ATOM 0 HA2 GLY C 63 7.388 -7.799 8.575 1.00 0.00 H new ATOM 0 HA3 GLY C 63 6.879 -6.954 7.127 1.00 0.00 H new ATOM 828 N GLY C 64 9.464 -6.888 6.168 1.00 0.00 N ATOM 829 CA GLY C 64 10.551 -7.224 5.287 1.00 0.00 C ATOM 830 C GLY C 64 10.093 -7.538 3.886 1.00 0.00 C ATOM 831 O GLY C 64 10.716 -8.340 3.267 1.00 0.00 O ATOM 0 H GLY C 64 9.150 -5.928 6.028 1.00 0.00 H new ATOM 0 HA2 GLY C 64 11.257 -6.394 5.256 1.00 0.00 H new ATOM 0 HA3 GLY C 64 11.087 -8.083 5.690 1.00 0.00 H new ATOM 835 N PHE C 65 9.025 -6.968 3.390 1.00 0.00 N ATOM 836 CA PHE C 65 8.392 -7.265 2.130 1.00 0.00 C ATOM 837 C PHE C 65 8.596 -6.239 1.039 1.00 0.00 C ATOM 838 O PHE C 65 8.376 -6.544 -0.120 1.00 0.00 O ATOM 839 CB PHE C 65 6.968 -7.749 2.342 1.00 0.00 C ATOM 840 CG PHE C 65 5.908 -6.962 3.066 1.00 0.00 C ATOM 841 CD1 PHE C 65 6.143 -6.294 4.264 1.00 0.00 C ATOM 842 CD2 PHE C 65 4.599 -7.051 2.616 1.00 0.00 C ATOM 843 CE1 PHE C 65 5.107 -5.668 4.952 1.00 0.00 C ATOM 844 CE2 PHE C 65 3.533 -6.513 3.333 1.00 0.00 C ATOM 845 CZ PHE C 65 3.799 -5.806 4.505 1.00 0.00 C ATOM 0 H PHE C 65 8.538 -6.228 3.895 1.00 0.00 H new ATOM 0 HA PHE C 65 8.932 -8.106 1.696 1.00 0.00 H new ATOM 0 HB2 PHE C 65 6.567 -7.958 1.350 1.00 0.00 H new ATOM 0 HB3 PHE C 65 7.046 -8.704 2.862 1.00 0.00 H new ATOM 0 HD1 PHE C 65 7.145 -6.261 4.666 1.00 0.00 H new ATOM 0 HD2 PHE C 65 4.400 -7.553 1.681 1.00 0.00 H new ATOM 0 HE1 PHE C 65 5.320 -5.077 5.831 1.00 0.00 H new ATOM 0 HE2 PHE C 65 2.518 -6.641 2.987 1.00 0.00 H new ATOM 0 HZ PHE C 65 2.988 -5.365 5.066 1.00 0.00 H new ATOM 865 N ALA D 68 6.220 -11.184 3.877 1.00 0.00 N ATOM 866 CA ALA D 68 4.796 -11.120 3.667 1.00 0.00 C ATOM 867 C ALA D 68 3.962 -11.673 4.793 1.00 0.00 C ATOM 868 O ALA D 68 2.752 -11.586 4.758 1.00 0.00 O ATOM 869 CB ALA D 68 4.466 -11.761 2.359 1.00 0.00 C ATOM 0 HA ALA D 68 4.527 -10.064 3.645 1.00 0.00 H new ATOM 0 HB1 ALA D 68 3.390 -11.716 2.193 1.00 0.00 H new ATOM 0 HB2 ALA D 68 4.979 -11.233 1.555 1.00 0.00 H new ATOM 0 HB3 ALA D 68 4.788 -12.802 2.373 1.00 0.00 H new ATOM 875 N LYS D 69 4.583 -12.175 5.850 1.00 0.00 N ATOM 876 CA LYS D 69 3.945 -12.482 7.105 1.00 0.00 C ATOM 877 C LYS D 69 3.197 -11.317 7.723 1.00 0.00 C ATOM 878 O LYS D 69 2.226 -11.515 8.420 1.00 0.00 O ATOM 879 CB LYS D 69 4.990 -13.017 8.061 1.00 0.00 C ATOM 880 CG LYS D 69 5.396 -14.396 7.760 1.00 0.00 C ATOM 881 CD LYS D 69 6.320 -14.963 8.779 1.00 0.00 C ATOM 882 CE LYS D 69 6.360 -16.370 8.856 1.00 0.00 C ATOM 883 NZ LYS D 69 6.840 -16.909 7.752 1.00 0.00 N ATOM 0 H LYS D 69 5.581 -12.384 5.849 1.00 0.00 H new ATOM 0 HA LYS D 69 3.181 -13.233 6.904 1.00 0.00 H new ATOM 0 HB2 LYS D 69 5.868 -12.371 8.029 1.00 0.00 H new ATOM 0 HB3 LYS D 69 4.600 -12.974 9.078 1.00 0.00 H new ATOM 0 HG2 LYS D 69 4.508 -15.024 7.693 1.00 0.00 H new ATOM 0 HG3 LYS D 69 5.880 -14.422 6.784 1.00 0.00 H new ATOM 0 HD2 LYS D 69 7.327 -14.601 8.571 1.00 0.00 H new ATOM 0 HD3 LYS D 69 6.037 -14.572 9.756 1.00 0.00 H new ATOM 0 HE2 LYS D 69 6.976 -16.670 9.704 1.00 0.00 H new ATOM 0 HE3 LYS D 69 5.356 -16.752 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 7.076 -17.907 7.927 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 6.127 -16.849 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 7.697 -16.397 7.460 1.00 0.00 H new ATOM 897 N ALA D 70 3.590 -10.091 7.425 1.00 0.00 N ATOM 898 CA ALA D 70 2.972 -8.836 7.792 1.00 0.00 C ATOM 899 C ALA D 70 1.847 -8.392 6.881 1.00 0.00 C ATOM 900 O ALA D 70 1.136 -7.459 7.183 1.00 0.00 O ATOM 901 CB ALA D 70 4.058 -7.791 7.765 1.00 0.00 C ATOM 0 H ALA D 70 4.430 -9.939 6.867 1.00 0.00 H new ATOM 0 HA ALA D 70 2.517 -8.969 8.773 1.00 0.00 H new ATOM 0 HB1 ALA D 70 3.638 -6.823 8.036 1.00 0.00 H new ATOM 0 HB2 ALA D 70 4.839 -8.060 8.476 1.00 0.00 H new ATOM 0 HB3 ALA D 70 4.483 -7.734 6.763 1.00 0.00 H new ATOM 907 N ALA D 71 1.716 -9.014 5.716 1.00 0.00 N ATOM 908 CA ALA D 71 0.925 -8.478 4.634 1.00 0.00 C ATOM 909 C ALA D 71 -0.556 -8.427 4.935 1.00 0.00 C ATOM 910 O ALA D 71 -1.177 -7.397 4.731 1.00 0.00 O ATOM 911 CB ALA D 71 1.245 -9.216 3.350 1.00 0.00 C ATOM 0 H ALA D 71 2.160 -9.907 5.502 1.00 0.00 H new ATOM 0 HA ALA D 71 1.204 -7.432 4.506 1.00 0.00 H new ATOM 0 HB1 ALA D 71 0.645 -8.808 2.537 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.303 -9.097 3.116 1.00 0.00 H new ATOM 0 HB3 ALA D 71 1.017 -10.275 3.472 1.00 0.00 H new ATOM 917 N ALA D 72 -1.162 -9.465 5.498 1.00 0.00 N ATOM 918 CA ALA D 72 -2.551 -9.407 5.872 1.00 0.00 C ATOM 919 C ALA D 72 -2.841 -8.318 6.863 1.00 0.00 C ATOM 920 O ALA D 72 -3.786 -7.727 6.792 1.00 0.00 O ATOM 921 CB ALA D 72 -2.990 -10.761 6.354 1.00 0.00 C ATOM 0 H ALA D 72 -0.704 -10.354 5.702 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.137 -9.144 4.991 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.041 -10.723 6.639 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.856 -11.492 5.557 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -2.391 -11.052 7.217 1.00 0.00 H new ATOM 927 N ALA D 73 -1.975 -7.970 7.764 1.00 0.00 N ATOM 928 CA ALA D 73 -2.092 -6.840 8.648 1.00 0.00 C ATOM 929 C ALA D 73 -1.913 -5.507 7.956 1.00 0.00 C ATOM 930 O ALA D 73 -2.577 -4.549 8.290 1.00 0.00 O ATOM 931 CB ALA D 73 -1.147 -7.019 9.821 1.00 0.00 C ATOM 0 H ALA D 73 -1.114 -8.496 7.915 1.00 0.00 H new ATOM 0 HA ALA D 73 -3.116 -6.813 9.020 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -1.234 -6.164 10.492 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -1.404 -7.931 10.360 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -0.123 -7.091 9.455 1.00 0.00 H new ATOM 937 N ALA D 74 -0.996 -5.422 7.005 1.00 0.00 N ATOM 938 CA ALA D 74 -0.609 -4.218 6.326 1.00 0.00 C ATOM 939 C ALA D 74 -1.689 -3.802 5.352 1.00 0.00 C ATOM 940 O ALA D 74 -2.124 -2.662 5.297 1.00 0.00 O ATOM 941 CB ALA D 74 0.702 -4.462 5.604 1.00 0.00 C ATOM 0 H ALA D 74 -0.481 -6.239 6.677 1.00 0.00 H new ATOM 0 HA ALA D 74 -0.476 -3.411 7.047 1.00 0.00 H new ATOM 0 HB1 ALA D 74 1.006 -3.553 5.084 1.00 0.00 H new ATOM 0 HB2 ALA D 74 1.469 -4.740 6.327 1.00 0.00 H new ATOM 0 HB3 ALA D 74 0.575 -5.268 4.881 1.00 0.00 H new ATOM 947 N ILE D 75 -2.115 -4.754 4.539 1.00 0.00 N ATOM 948 CA ILE D 75 -3.029 -4.587 3.434 1.00 0.00 C ATOM 949 C ILE D 75 -4.438 -4.342 3.938 1.00 0.00 C ATOM 950 O ILE D 75 -5.185 -3.552 3.376 1.00 0.00 O ATOM 951 CB ILE D 75 -2.972 -5.809 2.536 1.00 0.00 C ATOM 952 CG1 ILE D 75 -1.577 -6.176 2.053 1.00 0.00 C ATOM 953 CG2 ILE D 75 -3.951 -5.616 1.391 1.00 0.00 C ATOM 954 CD1 ILE D 75 -0.957 -5.352 0.941 1.00 0.00 C ATOM 0 H ILE D 75 -1.810 -5.722 4.644 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.732 -3.714 2.852 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.265 -6.671 3.135 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -0.907 -6.132 2.911 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -1.603 -7.214 1.722 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -3.921 -6.487 0.736 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.958 -5.496 1.790 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -3.677 -4.726 0.824 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.036 -5.739 0.712 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -1.584 -5.411 0.051 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.877 -4.313 1.260 1.00 0.00 H new ATOM 966 N LYS D 76 -4.806 -5.020 5.017 1.00 0.00 N ATOM 967 CA LYS D 76 -6.107 -4.893 5.628 1.00 0.00 C ATOM 968 C LYS D 76 -6.296 -3.596 6.391 1.00 0.00 C ATOM 969 O LYS D 76 -7.417 -3.135 6.490 1.00 0.00 O ATOM 970 CB LYS D 76 -6.362 -6.094 6.523 1.00 0.00 C ATOM 971 CG LYS D 76 -6.632 -7.366 5.743 1.00 0.00 C ATOM 972 CD LYS D 76 -7.014 -8.515 6.613 1.00 0.00 C ATOM 973 CE LYS D 76 -7.245 -9.739 5.800 1.00 0.00 C ATOM 974 NZ LYS D 76 -7.675 -10.864 6.602 1.00 0.00 N ATOM 0 H LYS D 76 -4.194 -5.682 5.494 1.00 0.00 H new ATOM 0 HA LYS D 76 -6.841 -4.865 4.822 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -5.499 -6.248 7.171 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -7.213 -5.884 7.171 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.430 -7.182 5.024 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.742 -7.631 5.172 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -6.227 -8.701 7.343 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.916 -8.269 7.173 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.998 -9.530 5.040 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -6.326 -10.001 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -7.822 -11.691 5.989 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -6.946 -11.084 7.311 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.566 -10.627 7.083 1.00 0.00 H new ATOM 988 N ALA D 77 -5.226 -2.926 6.806 1.00 0.00 N ATOM 989 CA ALA D 77 -5.258 -1.513 7.065 1.00 0.00 C ATOM 990 C ALA D 77 -5.472 -0.743 5.779 1.00 0.00 C ATOM 991 O ALA D 77 -6.512 -0.124 5.606 1.00 0.00 O ATOM 992 CB ALA D 77 -4.009 -1.122 7.839 1.00 0.00 C ATOM 0 H ALA D 77 -4.317 -3.359 6.969 1.00 0.00 H new ATOM 0 HA ALA D 77 -6.108 -1.250 7.695 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -4.026 -0.051 8.040 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -3.980 -1.667 8.782 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -3.125 -1.367 7.251 1.00 0.00 H new ATOM 998 N ILE D 78 -4.545 -0.782 4.828 1.00 0.00 N ATOM 999 CA ILE D 78 -4.505 0.147 3.721 1.00 0.00 C ATOM 1000 C ILE D 78 -5.726 0.053 2.825 1.00 0.00 C ATOM 1001 O ILE D 78 -6.304 1.081 2.491 1.00 0.00 O ATOM 1002 CB ILE D 78 -3.177 0.074 2.982 1.00 0.00 C ATOM 1003 CG1 ILE D 78 -2.624 1.400 2.491 1.00 0.00 C ATOM 1004 CG2 ILE D 78 -3.122 -0.944 1.858 1.00 0.00 C ATOM 1005 CD1 ILE D 78 -3.210 2.028 1.281 1.00 0.00 C ATOM 0 H ILE D 78 -3.794 -1.471 4.811 1.00 0.00 H new ATOM 0 HA ILE D 78 -4.559 1.153 4.136 1.00 0.00 H new ATOM 0 HB ILE D 78 -2.523 -0.273 3.782 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -2.715 2.116 3.308 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -1.559 1.262 2.305 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.136 -0.920 1.393 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.310 -1.940 2.259 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -3.880 -0.704 1.113 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -2.697 2.967 1.074 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.095 1.356 0.430 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -4.269 2.223 1.449 1.00 0.00 H new ATOM 1017 N ALA D 79 -6.216 -1.142 2.498 1.00 0.00 N ATOM 1018 CA ALA D 79 -7.419 -1.287 1.714 1.00 0.00 C ATOM 1019 C ALA D 79 -8.686 -0.758 2.366 1.00 0.00 C ATOM 1020 O ALA D 79 -9.602 -0.308 1.700 1.00 0.00 O ATOM 1021 CB ALA D 79 -7.584 -2.744 1.334 1.00 0.00 C ATOM 0 H ALA D 79 -5.786 -2.025 2.772 1.00 0.00 H new ATOM 0 HA ALA D 79 -7.286 -0.660 0.833 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -8.491 -2.865 0.741 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -6.722 -3.067 0.750 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.658 -3.349 2.237 1.00 0.00 H new ATOM 1027 N ALA D 80 -8.755 -0.833 3.690 1.00 0.00 N ATOM 1028 CA ALA D 80 -9.856 -0.353 4.492 1.00 0.00 C ATOM 1029 C ALA D 80 -9.753 1.134 4.764 1.00 0.00 C ATOM 1030 O ALA D 80 -10.726 1.856 4.873 1.00 0.00 O ATOM 1031 CB ALA D 80 -9.879 -1.152 5.778 1.00 0.00 C ATOM 0 H ALA D 80 -8.011 -1.249 4.250 1.00 0.00 H new ATOM 0 HA ALA D 80 -10.791 -0.492 3.949 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -10.703 -0.810 6.404 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -10.013 -2.209 5.547 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -8.937 -1.014 6.309 1.00 0.00 H new ATOM 1037 N ILE D 81 -8.537 1.663 4.825 1.00 0.00 N ATOM 1038 CA ILE D 81 -8.248 3.075 4.921 1.00 0.00 C ATOM 1039 C ILE D 81 -8.557 3.726 3.584 1.00 0.00 C ATOM 1040 O ILE D 81 -9.114 4.809 3.560 1.00 0.00 O ATOM 1041 CB ILE D 81 -6.809 3.311 5.355 1.00 0.00 C ATOM 1042 CG1 ILE D 81 -6.638 2.817 6.781 1.00 0.00 C ATOM 1043 CG2 ILE D 81 -6.419 4.778 5.336 1.00 0.00 C ATOM 1044 CD1 ILE D 81 -5.198 2.547 7.197 1.00 0.00 C ATOM 0 H ILE D 81 -7.694 1.089 4.808 1.00 0.00 H new ATOM 0 HA ILE D 81 -8.876 3.531 5.687 1.00 0.00 H new ATOM 0 HB ILE D 81 -6.174 2.776 4.649 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -7.065 3.556 7.460 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -7.215 1.900 6.904 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -5.382 4.883 5.655 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -6.529 5.171 4.325 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -7.065 5.335 6.014 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -5.177 2.199 8.230 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -4.769 1.784 6.548 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -4.616 3.465 7.112 1.00 0.00 H new ATOM 1056 N ILE D 82 -8.256 3.082 2.460 1.00 0.00 N ATOM 1057 CA ILE D 82 -8.739 3.421 1.144 1.00 0.00 C ATOM 1058 C ILE D 82 -10.251 3.556 1.098 1.00 0.00 C ATOM 1059 O ILE D 82 -10.763 4.579 0.687 1.00 0.00 O ATOM 1060 CB ILE D 82 -8.208 2.498 0.055 1.00 0.00 C ATOM 1061 CG1 ILE D 82 -6.752 2.900 -0.145 1.00 0.00 C ATOM 1062 CG2 ILE D 82 -8.914 2.644 -1.285 1.00 0.00 C ATOM 1063 CD1 ILE D 82 -6.014 2.156 -1.247 1.00 0.00 C ATOM 0 H ILE D 82 -7.637 2.271 2.452 1.00 0.00 H new ATOM 0 HA ILE D 82 -8.330 4.407 0.925 1.00 0.00 H new ATOM 0 HB ILE D 82 -8.361 1.466 0.372 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -6.714 3.967 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.219 2.747 0.793 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -8.476 1.952 -2.004 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -9.974 2.419 -1.164 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -8.799 3.665 -1.648 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -4.987 2.518 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -6.011 1.089 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -6.514 2.328 -2.200 1.00 0.00 H new ATOM 1075 N LYS D 83 -10.947 2.530 1.575 1.00 0.00 N ATOM 1076 CA LYS D 83 -12.387 2.518 1.673 1.00 0.00 C ATOM 1077 C LYS D 83 -12.957 3.668 2.488 1.00 0.00 C ATOM 1078 O LYS D 83 -14.062 4.116 2.213 1.00 0.00 O ATOM 1079 CB LYS D 83 -12.777 1.129 2.154 1.00 0.00 C ATOM 1080 CG LYS D 83 -14.212 0.910 2.601 1.00 0.00 C ATOM 1081 CD LYS D 83 -15.201 0.959 1.472 1.00 0.00 C ATOM 1082 CE LYS D 83 -15.160 -0.259 0.606 1.00 0.00 C ATOM 1083 NZ LYS D 83 -15.671 -1.407 1.292 1.00 0.00 N ATOM 0 H LYS D 83 -10.510 1.671 1.909 1.00 0.00 H new ATOM 0 HA LYS D 83 -12.842 2.702 0.700 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -12.566 0.425 1.349 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.124 0.867 2.986 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.287 -0.057 3.098 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -14.475 1.668 3.338 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -16.205 1.074 1.881 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -15.003 1.839 0.861 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -15.744 -0.084 -0.298 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -14.134 -0.449 0.291 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -15.931 -2.138 0.599 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -14.943 -1.781 1.934 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -16.511 -1.137 1.842 1.00 0.00 H new ATOM 1097 N ALA D 84 -12.216 4.221 3.438 1.00 0.00 N ATOM 1098 CA ALA D 84 -12.523 5.436 4.154 1.00 0.00 C ATOM 1099 C ALA D 84 -12.113 6.678 3.398 1.00 0.00 C ATOM 1100 O ALA D 84 -12.906 7.585 3.262 1.00 0.00 O ATOM 1101 CB ALA D 84 -11.891 5.347 5.523 1.00 0.00 C ATOM 0 H ALA D 84 -11.336 3.804 3.742 1.00 0.00 H new ATOM 0 HA ALA D 84 -13.604 5.530 4.262 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -12.109 6.255 6.084 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -12.295 4.486 6.055 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -10.812 5.235 5.419 1.00 0.00 H new ATOM 1107 N GLY D 85 -10.898 6.778 2.886 1.00 0.00 N ATOM 1108 CA GLY D 85 -10.353 7.925 2.201 1.00 0.00 C ATOM 1109 C GLY D 85 -11.064 8.295 0.913 1.00 0.00 C ATOM 1110 O GLY D 85 -11.360 9.439 0.685 1.00 0.00 O ATOM 0 H GLY D 85 -10.229 6.010 2.944 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -10.383 8.781 2.875 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -9.304 7.732 1.978 1.00 0.00 H new ATOM 1114 N GLY D 86 -11.340 7.339 0.053 1.00 0.00 N ATOM 1115 CA GLY D 86 -11.896 7.508 -1.263 1.00 0.00 C ATOM 1116 C GLY D 86 -10.842 7.861 -2.285 1.00 0.00 C ATOM 1117 O GLY D 86 -11.053 8.667 -3.134 1.00 0.00 O ATOM 0 H GLY D 86 -11.169 6.358 0.274 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -12.399 6.589 -1.564 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -12.653 8.292 -1.238 1.00 0.00 H new ATOM 1121 N PHE D 87 -9.675 7.254 -2.214 1.00 0.00 N ATOM 1122 CA PHE D 87 -8.519 7.505 -3.034 1.00 0.00 C ATOM 1123 C PHE D 87 -8.761 7.364 -4.512 1.00 0.00 C ATOM 1124 O PHE D 87 -8.152 8.029 -5.309 1.00 0.00 O ATOM 1125 CB PHE D 87 -7.382 6.592 -2.617 1.00 0.00 C ATOM 1126 CG PHE D 87 -6.778 6.913 -1.278 1.00 0.00 C ATOM 1127 CD1 PHE D 87 -7.389 6.459 -0.109 1.00 0.00 C ATOM 1128 CD2 PHE D 87 -5.546 7.561 -1.190 1.00 0.00 C ATOM 1129 CE1 PHE D 87 -6.676 6.404 1.090 1.00 0.00 C ATOM 1130 CE2 PHE D 87 -4.884 7.657 0.034 1.00 0.00 C ATOM 1131 CZ PHE D 87 -5.423 7.017 1.149 1.00 0.00 C ATOM 0 H PHE D 87 -9.503 6.518 -1.529 1.00 0.00 H new ATOM 0 HA PHE D 87 -8.261 8.551 -2.868 1.00 0.00 H new ATOM 0 HB2 PHE D 87 -7.747 5.565 -2.599 1.00 0.00 H new ATOM 0 HB3 PHE D 87 -6.599 6.639 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE D 87 -8.423 6.147 -0.132 1.00 0.00 H new ATOM 0 HD2 PHE D 87 -5.102 7.991 -2.075 1.00 0.00 H new ATOM 0 HE1 PHE D 87 -7.085 5.899 1.953 1.00 0.00 H new ATOM 0 HE2 PHE D 87 -3.966 8.220 0.117 1.00 0.00 H new ATOM 0 HZ PHE D 87 -4.863 6.995 2.072 1.00 0.00 H new