USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 587 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+ -151:sc= 0 (180deg=-0.0138) USER MOD Single : A 21 TYR OH : rot 99:sc= 0.319 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 : B 43 TYR OH : rot 90:sc= 0.635 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 : C 65 TYR OH : rot 113:sc= 0.796 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 Single : D 87 TYR OH : rot 78:sc= 0.924 USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 3 0.191 14.197 -0.986 1.00 0.00 N ATOM 18 CA LYS A 3 1.235 14.346 -1.950 1.00 0.00 C ATOM 19 C LYS A 3 1.936 13.061 -2.324 1.00 0.00 C ATOM 20 O LYS A 3 2.199 12.802 -3.486 1.00 0.00 O ATOM 21 CB LYS A 3 2.286 15.236 -1.394 1.00 0.00 C ATOM 22 CG LYS A 3 1.808 16.616 -1.029 1.00 0.00 C ATOM 23 CD LYS A 3 2.911 17.552 -0.638 1.00 0.00 C ATOM 24 CE LYS A 3 3.548 17.187 0.665 1.00 0.00 C ATOM 25 NZ LYS A 3 4.567 18.118 1.025 1.00 0.00 N ATOM 0 HA LYS A 3 0.745 14.741 -2.840 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.710 14.766 -0.507 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.091 15.325 -2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.267 17.039 -1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.099 16.539 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.671 17.557 -1.420 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.515 18.565 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.789 17.156 1.447 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.975 16.187 0.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.989 17.837 1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.303 18.129 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.153 19.068 1.115 1.00 0.00 H new ATOM 39 N ALA A 4 2.193 12.216 -1.341 1.00 0.00 N ATOM 40 CA ALA A 4 2.754 10.888 -1.418 1.00 0.00 C ATOM 41 C ALA A 4 1.916 9.896 -2.198 1.00 0.00 C ATOM 42 O ALA A 4 2.390 8.803 -2.470 1.00 0.00 O ATOM 43 CB ALA A 4 2.921 10.431 0.024 1.00 0.00 C ATOM 0 H ALA A 4 1.992 12.474 -0.375 1.00 0.00 H new ATOM 0 HA ALA A 4 3.695 10.928 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.344 9.427 0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.589 11.115 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.950 10.424 0.518 1.00 0.00 H new ATOM 49 N ALA A 5 0.673 10.250 -2.496 1.00 0.00 N ATOM 50 CA ALA A 5 -0.338 9.296 -2.878 1.00 0.00 C ATOM 51 C ALA A 5 -0.044 8.623 -4.205 1.00 0.00 C ATOM 52 O ALA A 5 0.492 7.526 -4.212 1.00 0.00 O ATOM 53 CB ALA A 5 -1.737 9.826 -2.636 1.00 0.00 C ATOM 0 H ALA A 5 0.344 11.215 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.296 8.443 -2.201 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.468 9.075 -2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.863 10.050 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.888 10.734 -3.219 1.00 0.00 H new ATOM 59 N ALA A 6 -0.389 9.238 -5.328 1.00 0.00 N ATOM 60 CA ALA A 6 -0.209 8.610 -6.615 1.00 0.00 C ATOM 61 C ALA A 6 1.215 8.175 -6.878 1.00 0.00 C ATOM 62 O ALA A 6 1.438 7.140 -7.490 1.00 0.00 O ATOM 63 CB ALA A 6 -0.737 9.555 -7.670 1.00 0.00 C ATOM 0 H ALA A 6 -0.795 10.173 -5.366 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.773 7.678 -6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -0.614 9.106 -8.655 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -1.794 9.748 -7.489 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.184 10.493 -7.627 1.00 0.00 H new ATOM 69 N ALA A 7 2.214 8.829 -6.291 1.00 0.00 N ATOM 70 CA ALA A 7 3.606 8.475 -6.399 1.00 0.00 C ATOM 71 C ALA A 7 3.992 7.135 -5.816 1.00 0.00 C ATOM 72 O ALA A 7 4.965 6.551 -6.224 1.00 0.00 O ATOM 73 CB ALA A 7 4.469 9.575 -5.829 1.00 0.00 C ATOM 0 H ALA A 7 2.058 9.650 -5.707 1.00 0.00 H new ATOM 0 HA ALA A 7 3.784 8.363 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.519 9.296 -5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.292 10.499 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.220 9.726 -4.779 1.00 0.00 H new ATOM 79 N ALA A 8 3.163 6.551 -4.973 1.00 0.00 N ATOM 80 CA ALA A 8 3.105 5.127 -4.756 1.00 0.00 C ATOM 81 C ALA A 8 1.878 4.525 -5.411 1.00 0.00 C ATOM 82 O ALA A 8 2.011 3.737 -6.334 1.00 0.00 O ATOM 83 CB ALA A 8 3.174 4.799 -3.280 1.00 0.00 C ATOM 0 H ALA A 8 2.494 7.073 -4.406 1.00 0.00 H new ATOM 0 HA ALA A 8 3.977 4.676 -5.229 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.128 3.718 -3.145 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.109 5.177 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.334 5.265 -2.764 1.00 0.00 H new ATOM 89 N ILE A 9 0.691 4.896 -4.942 1.00 0.00 N ATOM 90 CA ILE A 9 -0.541 4.176 -5.172 1.00 0.00 C ATOM 91 C ILE A 9 -0.894 4.031 -6.638 1.00 0.00 C ATOM 92 O ILE A 9 -1.423 2.993 -6.997 1.00 0.00 O ATOM 93 CB ILE A 9 -1.685 4.830 -4.422 1.00 0.00 C ATOM 94 CG1 ILE A 9 -1.413 5.171 -2.974 1.00 0.00 C ATOM 95 CG2 ILE A 9 -2.922 3.958 -4.468 1.00 0.00 C ATOM 96 CD1 ILE A 9 -0.835 4.077 -2.118 1.00 0.00 C ATOM 0 H ILE A 9 0.564 5.734 -4.374 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.378 3.167 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.827 5.776 -4.945 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.730 6.020 -2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.348 5.499 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.731 4.445 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.222 3.806 -5.505 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.705 2.994 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.687 4.448 -1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.521 3.230 -2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.122 3.759 -2.531 1.00 0.00 H new ATOM 108 N LYS A 10 -0.553 4.978 -7.507 1.00 0.00 N ATOM 109 CA LYS A 10 -0.901 4.935 -8.906 1.00 0.00 C ATOM 110 C LYS A 10 -0.088 3.931 -9.699 1.00 0.00 C ATOM 111 O LYS A 10 -0.647 3.234 -10.523 1.00 0.00 O ATOM 112 CB LYS A 10 -0.762 6.361 -9.410 1.00 0.00 C ATOM 113 CG LYS A 10 -1.480 6.762 -10.677 1.00 0.00 C ATOM 114 CD LYS A 10 -2.953 6.482 -10.657 1.00 0.00 C ATOM 115 CE LYS A 10 -3.642 7.039 -11.871 1.00 0.00 C ATOM 116 NZ LYS A 10 -3.370 6.338 -13.068 1.00 0.00 N ATOM 0 H LYS A 10 -0.018 5.806 -7.245 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.921 4.575 -9.041 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.101 7.026 -8.615 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.300 6.556 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.325 7.827 -10.849 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.032 6.235 -11.519 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.118 5.406 -10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.393 6.914 -9.758 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.718 7.034 -11.698 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.344 8.080 -11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.882 6.784 -13.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.348 6.363 -13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.680 5.350 -12.970 1.00 0.00 H new ATOM 130 N ALA A 11 1.189 3.789 -9.365 1.00 0.00 N ATOM 131 CA ALA A 11 2.002 2.673 -9.793 1.00 0.00 C ATOM 132 C ALA A 11 1.585 1.394 -9.093 1.00 0.00 C ATOM 133 O ALA A 11 1.436 0.352 -9.716 1.00 0.00 O ATOM 134 CB ALA A 11 3.462 3.003 -9.575 1.00 0.00 C ATOM 0 H ALA A 11 1.690 4.459 -8.781 1.00 0.00 H new ATOM 0 HA ALA A 11 1.851 2.500 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.077 2.163 -9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.725 3.888 -10.154 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.637 3.196 -8.517 1.00 0.00 H new ATOM 140 N ILE A 12 1.335 1.419 -7.785 1.00 0.00 N ATOM 141 CA ILE A 12 1.186 0.256 -6.941 1.00 0.00 C ATOM 142 C ILE A 12 -0.134 -0.441 -7.210 1.00 0.00 C ATOM 143 O ILE A 12 -0.140 -1.658 -7.341 1.00 0.00 O ATOM 144 CB ILE A 12 1.459 0.567 -5.486 1.00 0.00 C ATOM 145 CG1 ILE A 12 2.906 0.923 -5.213 1.00 0.00 C ATOM 146 CG2 ILE A 12 0.966 -0.494 -4.537 1.00 0.00 C ATOM 147 CD1 ILE A 12 3.864 -0.234 -5.210 1.00 0.00 C ATOM 0 H ILE A 12 1.228 2.294 -7.271 1.00 0.00 H new ATOM 0 HA ILE A 12 1.957 -0.468 -7.204 1.00 0.00 H new ATOM 0 HB ILE A 12 0.867 1.460 -5.285 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.234 1.642 -5.964 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.963 1.423 -4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.197 -0.202 -3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.112 -0.608 -4.647 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.456 -1.441 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.871 0.128 -5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.571 -0.947 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.846 -0.724 -6.183 1.00 0.00 H new ATOM 159 N ALA A 13 -1.223 0.291 -7.441 1.00 0.00 N ATOM 160 CA ALA A 13 -2.471 -0.346 -7.784 1.00 0.00 C ATOM 161 C ALA A 13 -2.483 -1.095 -9.100 1.00 0.00 C ATOM 162 O ALA A 13 -3.261 -2.009 -9.284 1.00 0.00 O ATOM 163 CB ALA A 13 -3.566 0.707 -7.717 1.00 0.00 C ATOM 0 H ALA A 13 -1.257 1.309 -7.395 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.641 -1.139 -7.056 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.523 0.253 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.616 1.116 -6.708 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.345 1.508 -8.423 1.00 0.00 H new ATOM 169 N ALA A 14 -1.569 -0.768 -10.000 1.00 0.00 N ATOM 170 CA ALA A 14 -1.298 -1.426 -11.258 1.00 0.00 C ATOM 171 C ALA A 14 -0.321 -2.570 -11.098 1.00 0.00 C ATOM 172 O ALA A 14 -0.528 -3.645 -11.631 1.00 0.00 O ATOM 173 CB ALA A 14 -0.825 -0.401 -12.277 1.00 0.00 C ATOM 0 H ALA A 14 -0.950 0.030 -9.853 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.221 -1.874 -11.625 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.621 -0.898 -13.225 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.599 0.352 -12.422 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.085 0.078 -11.915 1.00 0.00 H new ATOM 179 N ILE A 15 0.729 -2.370 -10.308 1.00 0.00 N ATOM 180 CA ILE A 15 1.687 -3.365 -9.879 1.00 0.00 C ATOM 181 C ILE A 15 0.996 -4.500 -9.143 1.00 0.00 C ATOM 182 O ILE A 15 1.368 -5.648 -9.338 1.00 0.00 O ATOM 183 CB ILE A 15 2.806 -2.699 -9.091 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.719 -1.927 -10.027 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.607 -3.657 -8.224 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.528 -0.826 -9.360 1.00 0.00 C ATOM 0 H ILE A 15 0.941 -1.447 -9.930 1.00 0.00 H new ATOM 0 HA ILE A 15 2.156 -3.830 -10.746 1.00 0.00 H new ATOM 0 HB ILE A 15 2.323 -2.011 -8.397 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.406 -2.627 -10.502 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.115 -1.486 -10.820 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.385 -3.106 -7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.945 -4.134 -7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.067 -4.419 -8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.150 -0.330 -10.105 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.852 -0.099 -8.910 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.163 -1.259 -8.587 1.00 0.00 H new ATOM 198 N ILE A 16 0.001 -4.209 -8.308 1.00 0.00 N ATOM 199 CA ILE A 16 -0.857 -5.180 -7.670 1.00 0.00 C ATOM 200 C ILE A 16 -1.621 -6.038 -8.660 1.00 0.00 C ATOM 201 O ILE A 16 -1.531 -7.253 -8.585 1.00 0.00 O ATOM 202 CB ILE A 16 -1.768 -4.486 -6.672 1.00 0.00 C ATOM 203 CG1 ILE A 16 -0.912 -4.092 -5.482 1.00 0.00 C ATOM 204 CG2 ILE A 16 -2.923 -5.378 -6.247 1.00 0.00 C ATOM 205 CD1 ILE A 16 -1.639 -3.543 -4.272 1.00 0.00 C ATOM 0 H ILE A 16 -0.231 -3.249 -8.053 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.224 -5.881 -7.126 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.221 -3.606 -7.128 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.342 -4.967 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.192 -3.344 -5.814 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.551 -4.845 -5.533 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.516 -5.647 -7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.532 -6.283 -5.781 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.917 -3.300 -3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.186 -2.643 -4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.339 -4.290 -3.898 1.00 0.00 H new ATOM 217 N LYS A 17 -2.322 -5.412 -9.603 1.00 0.00 N ATOM 218 CA LYS A 17 -3.079 -6.095 -10.625 1.00 0.00 C ATOM 219 C LYS A 17 -2.206 -6.967 -11.490 1.00 0.00 C ATOM 220 O LYS A 17 -2.595 -8.065 -11.835 1.00 0.00 O ATOM 221 CB LYS A 17 -3.782 -5.036 -11.440 1.00 0.00 C ATOM 222 CG LYS A 17 -4.806 -5.586 -12.388 1.00 0.00 C ATOM 223 CD LYS A 17 -6.032 -5.486 -12.241 1.00 0.00 C ATOM 224 CE LYS A 17 -6.376 -4.432 -12.382 1.00 0.00 C ATOM 225 NZ LYS A 17 -7.540 -4.252 -12.208 1.00 0.00 N ATOM 0 H LYS A 17 -2.374 -4.396 -9.671 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.801 -6.770 -10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.267 -4.332 -10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.040 -4.474 -12.007 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.583 -5.145 -13.360 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.599 -6.653 -12.467 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.539 -6.134 -12.955 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.310 -5.830 -11.245 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.819 -3.790 -11.699 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.123 -4.116 -13.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.860 -3.456 -12.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.067 -5.109 -12.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.712 -4.034 -11.206 1.00 0.00 H new ATOM 239 N ALA A 18 -0.986 -6.556 -11.796 1.00 0.00 N ATOM 240 CA ALA A 18 0.024 -7.345 -12.464 1.00 0.00 C ATOM 241 C ALA A 18 0.759 -8.339 -11.589 1.00 0.00 C ATOM 242 O ALA A 18 1.277 -9.322 -12.080 1.00 0.00 O ATOM 243 CB ALA A 18 1.004 -6.380 -13.101 1.00 0.00 C ATOM 0 H ALA A 18 -0.662 -5.615 -11.572 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.488 -7.968 -13.197 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.784 -6.941 -13.616 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.479 -5.747 -13.817 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.455 -5.757 -12.329 1.00 0.00 H new ATOM 249 N GLY A 19 0.834 -8.111 -10.286 1.00 0.00 N ATOM 250 CA GLY A 19 1.574 -8.853 -9.296 1.00 0.00 C ATOM 251 C GLY A 19 0.964 -10.199 -8.975 1.00 0.00 C ATOM 252 O GLY A 19 1.692 -11.119 -8.691 1.00 0.00 O ATOM 0 H GLY A 19 0.330 -7.330 -9.865 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.594 -9.000 -9.650 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.636 -8.263 -8.382 1.00 0.00 H new ATOM 256 N GLY A 20 -0.342 -10.319 -9.002 1.00 0.00 N ATOM 257 CA GLY A 20 -1.043 -11.516 -8.636 1.00 0.00 C ATOM 258 C GLY A 20 -1.397 -11.639 -7.173 1.00 0.00 C ATOM 259 O GLY A 20 -1.733 -12.716 -6.722 1.00 0.00 O ATOM 0 H GLY A 20 -0.960 -9.560 -9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.961 -11.572 -9.220 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.433 -12.374 -8.918 1.00 0.00 H new ATOM 263 N TYR A 21 -1.302 -10.566 -6.403 1.00 0.00 N ATOM 264 CA TYR A 21 -1.562 -10.501 -4.994 1.00 0.00 C ATOM 265 C TYR A 21 -2.930 -11.020 -4.616 1.00 0.00 C ATOM 266 O TYR A 21 -3.094 -11.579 -3.564 1.00 0.00 O ATOM 267 CB TYR A 21 -1.435 -9.046 -4.580 1.00 0.00 C ATOM 268 CG TYR A 21 -0.078 -8.507 -4.214 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.550 -8.830 -3.016 1.00 0.00 C ATOM 270 CD2 TYR A 21 0.427 -7.529 -5.062 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.636 -8.058 -2.611 1.00 0.00 C ATOM 272 CE2 TYR A 21 1.510 -6.749 -4.661 1.00 0.00 C ATOM 273 CZ TYR A 21 2.075 -7.001 -3.406 1.00 0.00 C ATOM 274 OH TYR A 21 3.137 -6.259 -2.998 1.00 0.00 O ATOM 0 H TYR A 21 -1.021 -9.662 -6.783 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.844 -11.140 -4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.822 -8.437 -5.397 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.093 -8.888 -3.725 1.00 0.00 H new ATOM 0 HD1 TYR A 21 0.204 -9.658 -2.415 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.020 -7.373 -6.033 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.138 -8.279 -1.681 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.902 -5.972 -5.301 1.00 0.00 H new ATOM 0 HH TYR A 21 3.945 -6.562 -3.462 1.00 0.00 H new ATOM 294 N ALA B 24 1.254 -13.857 -4.160 1.00 0.00 N ATOM 295 CA ALA B 24 1.615 -12.983 -3.103 1.00 0.00 C ATOM 296 C ALA B 24 3.076 -12.618 -3.014 1.00 0.00 C ATOM 297 O ALA B 24 3.467 -11.694 -2.327 1.00 0.00 O ATOM 298 CB ALA B 24 1.102 -13.538 -1.816 1.00 0.00 C ATOM 0 HA ALA B 24 1.141 -12.028 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.375 -12.872 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA B 24 0.017 -13.626 -1.865 1.00 0.00 H new ATOM 0 HB3 ALA B 24 1.539 -14.522 -1.644 1.00 0.00 H new ATOM 304 N LYS B 25 3.931 -13.311 -3.732 1.00 0.00 N ATOM 305 CA LYS B 25 5.329 -13.004 -3.891 1.00 0.00 C ATOM 306 C LYS B 25 5.619 -11.689 -4.580 1.00 0.00 C ATOM 307 O LYS B 25 6.758 -11.248 -4.608 1.00 0.00 O ATOM 308 CB LYS B 25 6.028 -14.104 -4.657 1.00 0.00 C ATOM 309 CG LYS B 25 6.105 -15.414 -3.908 1.00 0.00 C ATOM 310 CD LYS B 25 6.824 -16.467 -4.681 1.00 0.00 C ATOM 311 CE LYS B 25 7.076 -17.675 -3.869 1.00 0.00 C ATOM 312 NZ LYS B 25 7.618 -18.767 -4.561 1.00 0.00 N ATOM 0 H LYS B 25 3.652 -14.147 -4.246 1.00 0.00 H new ATOM 0 HA LYS B 25 5.708 -12.919 -2.872 1.00 0.00 H new ATOM 0 HB2 LYS B 25 5.506 -14.266 -5.600 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.038 -13.777 -4.904 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.611 -15.256 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.097 -15.759 -3.680 1.00 0.00 H new ATOM 0 HD2 LYS B 25 6.237 -16.736 -5.559 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.772 -16.068 -5.041 1.00 0.00 H new ATOM 0 HE2 LYS B 25 7.753 -17.410 -3.057 1.00 0.00 H new ATOM 0 HE3 LYS B 25 6.137 -17.987 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 7.756 -19.561 -3.903 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 6.967 -19.055 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 8.533 -18.496 -4.974 1.00 0.00 H new ATOM 326 N ALA B 26 4.591 -11.043 -5.126 1.00 0.00 N ATOM 327 CA ALA B 26 4.614 -9.637 -5.460 1.00 0.00 C ATOM 328 C ALA B 26 4.906 -8.717 -4.291 1.00 0.00 C ATOM 329 O ALA B 26 5.073 -7.516 -4.461 1.00 0.00 O ATOM 330 CB ALA B 26 3.259 -9.316 -6.059 1.00 0.00 C ATOM 0 H ALA B 26 3.706 -11.499 -5.349 1.00 0.00 H new ATOM 0 HA ALA B 26 5.435 -9.461 -6.155 1.00 0.00 H new ATOM 0 HB1 ALA B 26 3.222 -8.261 -6.330 1.00 0.00 H new ATOM 0 HB2 ALA B 26 3.101 -9.925 -6.949 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.478 -9.530 -5.329 1.00 0.00 H new ATOM 336 N ALA B 27 5.014 -9.262 -3.083 1.00 0.00 N ATOM 337 CA ALA B 27 5.222 -8.520 -1.866 1.00 0.00 C ATOM 338 C ALA B 27 6.506 -7.709 -1.821 1.00 0.00 C ATOM 339 O ALA B 27 6.494 -6.516 -2.104 1.00 0.00 O ATOM 340 CB ALA B 27 5.008 -9.466 -0.701 1.00 0.00 C ATOM 0 H ALA B 27 4.956 -10.269 -2.930 1.00 0.00 H new ATOM 0 HA ALA B 27 4.483 -7.721 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA B 27 5.159 -8.930 0.236 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.992 -9.859 -0.734 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.718 -10.290 -0.766 1.00 0.00 H new ATOM 346 N ALA B 28 7.639 -8.333 -1.515 1.00 0.00 N ATOM 347 CA ALA B 28 8.855 -7.653 -1.148 1.00 0.00 C ATOM 348 C ALA B 28 9.521 -6.884 -2.271 1.00 0.00 C ATOM 349 O ALA B 28 10.537 -6.252 -2.059 1.00 0.00 O ATOM 350 CB ALA B 28 9.780 -8.638 -0.453 1.00 0.00 C ATOM 0 H ALA B 28 7.729 -9.349 -1.518 1.00 0.00 H new ATOM 0 HA ALA B 28 8.590 -6.859 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.704 -8.133 -0.171 1.00 0.00 H new ATOM 0 HB2 ALA B 28 9.292 -9.027 0.441 1.00 0.00 H new ATOM 0 HB3 ALA B 28 10.009 -9.462 -1.129 1.00 0.00 H new ATOM 356 N ALA B 29 8.998 -6.842 -3.482 1.00 0.00 N ATOM 357 CA ALA B 29 9.340 -5.924 -4.538 1.00 0.00 C ATOM 358 C ALA B 29 8.548 -4.643 -4.459 1.00 0.00 C ATOM 359 O ALA B 29 9.128 -3.577 -4.461 1.00 0.00 O ATOM 360 CB ALA B 29 9.177 -6.607 -5.859 1.00 0.00 C ATOM 0 H ALA B 29 8.271 -7.498 -3.768 1.00 0.00 H new ATOM 0 HA ALA B 29 10.383 -5.631 -4.421 1.00 0.00 H new ATOM 0 HB1 ALA B 29 9.435 -5.915 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.835 -7.475 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA B 29 8.142 -6.929 -5.977 1.00 0.00 H new ATOM 366 N ALA B 30 7.226 -4.740 -4.377 1.00 0.00 N ATOM 367 CA ALA B 30 6.359 -3.592 -4.465 1.00 0.00 C ATOM 368 C ALA B 30 6.236 -2.888 -3.130 1.00 0.00 C ATOM 369 O ALA B 30 6.285 -1.672 -3.049 1.00 0.00 O ATOM 370 CB ALA B 30 5.006 -4.072 -4.955 1.00 0.00 C ATOM 0 H ALA B 30 6.733 -5.623 -4.247 1.00 0.00 H new ATOM 0 HA ALA B 30 6.776 -2.864 -5.161 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.325 -3.224 -5.032 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.118 -4.538 -5.934 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.601 -4.799 -4.251 1.00 0.00 H new ATOM 376 N ILE B 31 6.167 -3.657 -2.047 1.00 0.00 N ATOM 377 CA ILE B 31 6.170 -3.230 -0.669 1.00 0.00 C ATOM 378 C ILE B 31 7.441 -2.473 -0.338 1.00 0.00 C ATOM 379 O ILE B 31 7.391 -1.474 0.361 1.00 0.00 O ATOM 380 CB ILE B 31 6.015 -4.425 0.262 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.725 -5.197 0.054 1.00 0.00 C ATOM 382 CG2 ILE B 31 6.167 -4.048 1.723 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.467 -4.490 0.506 1.00 0.00 C ATOM 0 H ILE B 31 6.103 -4.672 -2.127 1.00 0.00 H new ATOM 0 HA ILE B 31 5.323 -2.560 -0.524 1.00 0.00 H new ATOM 0 HB ILE B 31 6.835 -5.089 -0.010 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.629 -5.432 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.799 -6.146 0.585 1.00 0.00 H new ATOM 0 HG21 ILE B 31 6.047 -4.937 2.342 1.00 0.00 H new ATOM 0 HG22 ILE B 31 7.156 -3.621 1.888 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.407 -3.314 1.990 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.603 -5.126 0.313 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.532 -4.279 1.573 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.358 -3.554 -0.043 1.00 0.00 H new ATOM 395 N LYS B 32 8.580 -2.884 -0.886 1.00 0.00 N ATOM 396 CA LYS B 32 9.837 -2.185 -0.751 1.00 0.00 C ATOM 397 C LYS B 32 9.772 -0.815 -1.396 1.00 0.00 C ATOM 398 O LYS B 32 10.056 0.174 -0.739 1.00 0.00 O ATOM 399 CB LYS B 32 10.960 -3.046 -1.299 1.00 0.00 C ATOM 400 CG LYS B 32 11.509 -4.005 -0.268 1.00 0.00 C ATOM 401 CD LYS B 32 12.338 -3.290 0.767 1.00 0.00 C ATOM 402 CE LYS B 32 12.973 -4.331 1.655 1.00 0.00 C ATOM 403 NZ LYS B 32 13.867 -3.767 2.616 1.00 0.00 N ATOM 0 H LYS B 32 8.648 -3.733 -1.448 1.00 0.00 H new ATOM 0 HA LYS B 32 10.044 -2.008 0.304 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.595 -3.610 -2.158 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.764 -2.404 -1.658 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.685 -4.526 0.221 1.00 0.00 H new ATOM 0 HG3 LYS B 32 12.117 -4.763 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS B 32 13.103 -2.680 0.287 1.00 0.00 H new ATOM 0 HD3 LYS B 32 11.715 -2.616 1.355 1.00 0.00 H new ATOM 0 HE2 LYS B 32 12.191 -4.885 2.174 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.515 -5.047 1.038 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 14.274 -4.526 3.199 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 14.631 -3.260 2.124 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 13.348 -3.103 3.226 1.00 0.00 H new ATOM 417 N ALA B 33 9.221 -0.761 -2.604 1.00 0.00 N ATOM 418 CA ALA B 33 8.780 0.423 -3.303 1.00 0.00 C ATOM 419 C ALA B 33 7.577 1.131 -2.712 1.00 0.00 C ATOM 420 O ALA B 33 7.149 2.136 -3.265 1.00 0.00 O ATOM 421 CB ALA B 33 8.626 0.072 -4.767 1.00 0.00 C ATOM 0 H ALA B 33 9.063 -1.607 -3.152 1.00 0.00 H new ATOM 0 HA ALA B 33 9.549 1.186 -3.181 1.00 0.00 H new ATOM 0 HB1 ALA B 33 8.293 0.951 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA B 33 9.584 -0.264 -5.163 1.00 0.00 H new ATOM 0 HB3 ALA B 33 7.890 -0.724 -4.875 1.00 0.00 H new ATOM 427 N ILE B 34 7.070 0.699 -1.560 1.00 0.00 N ATOM 428 CA ILE B 34 6.103 1.399 -0.750 1.00 0.00 C ATOM 429 C ILE B 34 6.690 1.870 0.565 1.00 0.00 C ATOM 430 O ILE B 34 6.678 3.074 0.781 1.00 0.00 O ATOM 431 CB ILE B 34 4.811 0.604 -0.637 1.00 0.00 C ATOM 432 CG1 ILE B 34 3.736 1.324 -1.387 1.00 0.00 C ATOM 433 CG2 ILE B 34 4.366 0.147 0.727 1.00 0.00 C ATOM 434 CD1 ILE B 34 3.069 2.469 -0.686 1.00 0.00 C ATOM 0 H ILE B 34 7.343 -0.196 -1.154 1.00 0.00 H new ATOM 0 HA ILE B 34 5.826 2.324 -1.255 1.00 0.00 H new ATOM 0 HB ILE B 34 5.038 -0.360 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.164 1.699 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE B 34 2.968 0.599 -1.659 1.00 0.00 H new ATOM 0 HG21 ILE B 34 3.430 -0.405 0.638 1.00 0.00 H new ATOM 0 HG22 ILE B 34 5.129 -0.499 1.161 1.00 0.00 H new ATOM 0 HG23 ILE B 34 4.216 1.014 1.370 1.00 0.00 H new ATOM 0 HD11 ILE B 34 2.311 2.903 -1.338 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.598 2.111 0.229 1.00 0.00 H new ATOM 0 HD13 ILE B 34 3.812 3.227 -0.439 1.00 0.00 H new ATOM 446 N ALA B 35 7.266 1.030 1.419 1.00 0.00 N ATOM 447 CA ALA B 35 7.709 1.387 2.744 1.00 0.00 C ATOM 448 C ALA B 35 8.803 2.439 2.755 1.00 0.00 C ATOM 449 O ALA B 35 8.873 3.278 3.635 1.00 0.00 O ATOM 450 CB ALA B 35 8.122 0.107 3.444 1.00 0.00 C ATOM 0 H ALA B 35 7.439 0.051 1.191 1.00 0.00 H new ATOM 0 HA ALA B 35 6.889 1.863 3.282 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.464 0.338 4.453 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.270 -0.570 3.496 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.929 -0.368 2.887 1.00 0.00 H new ATOM 456 N ALA B 36 9.587 2.513 1.685 1.00 0.00 N ATOM 457 CA ALA B 36 10.511 3.584 1.405 1.00 0.00 C ATOM 458 C ALA B 36 9.852 4.870 0.962 1.00 0.00 C ATOM 459 O ALA B 36 10.230 5.956 1.365 1.00 0.00 O ATOM 460 CB ALA B 36 11.503 3.115 0.380 1.00 0.00 C ATOM 0 H ALA B 36 9.589 1.792 0.963 1.00 0.00 H new ATOM 0 HA ALA B 36 11.010 3.829 2.342 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.207 3.918 0.161 1.00 0.00 H new ATOM 0 HB2 ALA B 36 12.045 2.252 0.767 1.00 0.00 H new ATOM 0 HB3 ALA B 36 10.978 2.834 -0.533 1.00 0.00 H new ATOM 466 N ILE B 37 8.836 4.738 0.126 1.00 0.00 N ATOM 467 CA ILE B 37 8.038 5.796 -0.444 1.00 0.00 C ATOM 468 C ILE B 37 7.120 6.398 0.604 1.00 0.00 C ATOM 469 O ILE B 37 6.929 7.599 0.626 1.00 0.00 O ATOM 470 CB ILE B 37 7.294 5.278 -1.667 1.00 0.00 C ATOM 471 CG1 ILE B 37 8.148 5.225 -2.924 1.00 0.00 C ATOM 472 CG2 ILE B 37 6.055 6.083 -2.010 1.00 0.00 C ATOM 473 CD1 ILE B 37 9.397 4.369 -2.865 1.00 0.00 C ATOM 0 H ILE B 37 8.530 3.818 -0.192 1.00 0.00 H new ATOM 0 HA ILE B 37 8.685 6.606 -0.782 1.00 0.00 H new ATOM 0 HB ILE B 37 7.012 4.269 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE B 37 7.526 4.863 -3.742 1.00 0.00 H new ATOM 0 HG13 ILE B 37 8.445 6.243 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE B 37 5.576 5.656 -2.892 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.360 6.056 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE B 37 6.337 7.116 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE B 37 9.916 4.416 -3.822 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.054 4.738 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE B 37 9.121 3.336 -2.653 1.00 0.00 H new ATOM 485 N ILE B 38 6.628 5.627 1.569 1.00 0.00 N ATOM 486 CA ILE B 38 5.940 6.110 2.739 1.00 0.00 C ATOM 487 C ILE B 38 6.804 7.099 3.496 1.00 0.00 C ATOM 488 O ILE B 38 6.364 8.205 3.770 1.00 0.00 O ATOM 489 CB ILE B 38 5.489 4.953 3.614 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.408 4.147 2.907 1.00 0.00 C ATOM 491 CG2 ILE B 38 5.006 5.480 4.958 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.812 2.980 3.648 1.00 0.00 C ATOM 0 H ILE B 38 6.706 4.610 1.547 1.00 0.00 H new ATOM 0 HA ILE B 38 5.042 6.642 2.424 1.00 0.00 H new ATOM 0 HB ILE B 38 6.332 4.286 3.796 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.598 4.828 2.646 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.825 3.774 1.972 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.684 4.646 5.581 1.00 0.00 H new ATOM 0 HG22 ILE B 38 5.819 6.011 5.454 1.00 0.00 H new ATOM 0 HG23 ILE B 38 4.169 6.161 4.802 1.00 0.00 H new ATOM 0 HD11 ILE B 38 3.057 2.500 3.025 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.596 2.261 3.886 1.00 0.00 H new ATOM 0 HD13 ILE B 38 3.350 3.332 4.570 1.00 0.00 H new ATOM 504 N LYS B 39 8.025 6.695 3.809 1.00 0.00 N ATOM 505 CA LYS B 39 9.004 7.466 4.537 1.00 0.00 C ATOM 506 C LYS B 39 9.478 8.707 3.815 1.00 0.00 C ATOM 507 O LYS B 39 9.511 9.774 4.398 1.00 0.00 O ATOM 508 CB LYS B 39 10.137 6.511 4.857 1.00 0.00 C ATOM 509 CG LYS B 39 9.777 5.520 5.937 1.00 0.00 C ATOM 510 CD LYS B 39 10.790 4.411 6.092 1.00 0.00 C ATOM 511 CE LYS B 39 10.341 3.306 6.914 1.00 0.00 C ATOM 512 NZ LYS B 39 11.248 2.228 7.065 1.00 0.00 N ATOM 0 H LYS B 39 8.371 5.772 3.546 1.00 0.00 H new ATOM 0 HA LYS B 39 8.554 7.870 5.444 1.00 0.00 H new ATOM 0 HB2 LYS B 39 10.417 5.971 3.953 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.011 7.082 5.171 1.00 0.00 H new ATOM 0 HG2 LYS B 39 9.678 6.047 6.886 1.00 0.00 H new ATOM 0 HG3 LYS B 39 8.804 5.085 5.711 1.00 0.00 H new ATOM 0 HD2 LYS B 39 11.050 4.032 5.104 1.00 0.00 H new ATOM 0 HD3 LYS B 39 11.701 4.824 6.525 1.00 0.00 H new ATOM 0 HE2 LYS B 39 10.100 3.692 7.905 1.00 0.00 H new ATOM 0 HE3 LYS B 39 9.415 2.918 6.489 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 10.822 1.498 7.671 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 11.463 1.822 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 12.126 2.572 7.503 1.00 0.00 H new ATOM 526 N ALA B 40 9.727 8.610 2.515 1.00 0.00 N ATOM 527 CA ALA B 40 10.164 9.679 1.657 1.00 0.00 C ATOM 528 C ALA B 40 9.060 10.634 1.260 1.00 0.00 C ATOM 529 O ALA B 40 9.255 11.825 1.142 1.00 0.00 O ATOM 530 CB ALA B 40 10.801 9.107 0.407 1.00 0.00 C ATOM 0 H ALA B 40 9.620 7.729 2.013 1.00 0.00 H new ATOM 0 HA ALA B 40 10.886 10.255 2.235 1.00 0.00 H new ATOM 0 HB1 ALA B 40 11.130 9.921 -0.239 1.00 0.00 H new ATOM 0 HB2 ALA B 40 11.659 8.494 0.684 1.00 0.00 H new ATOM 0 HB3 ALA B 40 10.073 8.494 -0.124 1.00 0.00 H new ATOM 536 N GLY B 41 7.868 10.110 1.056 1.00 0.00 N ATOM 537 CA GLY B 41 6.689 10.791 0.606 1.00 0.00 C ATOM 538 C GLY B 41 6.024 11.541 1.735 1.00 0.00 C ATOM 539 O GLY B 41 5.447 12.579 1.498 1.00 0.00 O ATOM 0 H GLY B 41 7.694 9.118 1.216 1.00 0.00 H new ATOM 0 HA2 GLY B 41 6.950 11.487 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY B 41 5.989 10.070 0.183 1.00 0.00 H new ATOM 543 N GLY B 42 6.064 11.040 2.963 1.00 0.00 N ATOM 544 CA GLY B 42 5.472 11.665 4.110 1.00 0.00 C ATOM 545 C GLY B 42 3.991 11.520 4.244 1.00 0.00 C ATOM 546 O GLY B 42 3.340 12.512 4.492 1.00 0.00 O ATOM 0 H GLY B 42 6.528 10.158 3.182 1.00 0.00 H new ATOM 0 HA2 GLY B 42 5.940 11.254 5.005 1.00 0.00 H new ATOM 0 HA3 GLY B 42 5.712 12.728 4.084 1.00 0.00 H new ATOM 550 N TYR B 43 3.478 10.303 4.140 1.00 0.00 N ATOM 551 CA TYR B 43 2.088 10.034 4.231 1.00 0.00 C ATOM 552 C TYR B 43 1.398 10.486 5.462 1.00 0.00 C ATOM 553 O TYR B 43 0.220 10.587 5.528 1.00 0.00 O ATOM 554 CB TYR B 43 1.849 8.547 4.039 1.00 0.00 C ATOM 555 CG TYR B 43 1.636 8.080 2.632 1.00 0.00 C ATOM 556 CD1 TYR B 43 0.622 8.565 1.810 1.00 0.00 C ATOM 557 CD2 TYR B 43 2.472 7.098 2.112 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.470 8.095 0.507 1.00 0.00 C ATOM 559 CE2 TYR B 43 2.338 6.590 0.820 1.00 0.00 C ATOM 560 CZ TYR B 43 1.317 7.097 0.008 1.00 0.00 C ATOM 561 OH TYR B 43 1.247 6.680 -1.281 1.00 0.00 O ATOM 0 H TYR B 43 4.046 9.470 3.987 1.00 0.00 H new ATOM 0 HA TYR B 43 1.645 10.635 3.437 1.00 0.00 H new ATOM 0 HB2 TYR B 43 2.702 8.008 4.452 1.00 0.00 H new ATOM 0 HB3 TYR B 43 0.977 8.263 4.628 1.00 0.00 H new ATOM 0 HD1 TYR B 43 -0.056 9.316 2.188 1.00 0.00 H new ATOM 0 HD2 TYR B 43 3.262 6.710 2.738 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.307 8.503 -0.123 1.00 0.00 H new ATOM 0 HE2 TYR B 43 3.006 5.824 0.455 1.00 0.00 H new ATOM 0 HH TYR B 43 1.847 7.223 -1.834 1.00 0.00 H new ATOM 581 N ALA C 46 -6.819 11.758 -4.101 1.00 0.00 N ATOM 582 CA ALA C 46 -5.875 11.129 -3.346 1.00 0.00 C ATOM 583 C ALA C 46 -5.985 11.229 -1.843 1.00 0.00 C ATOM 584 O ALA C 46 -5.237 10.564 -1.148 1.00 0.00 O ATOM 585 CB ALA C 46 -4.645 11.665 -3.834 1.00 0.00 C ATOM 0 HA ALA C 46 -5.989 10.052 -3.464 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -3.813 11.221 -3.288 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -4.545 11.438 -4.895 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -4.637 12.746 -3.691 1.00 0.00 H new ATOM 591 N LYS C 47 -6.947 11.973 -1.313 1.00 0.00 N ATOM 592 CA LYS C 47 -7.223 12.118 0.087 1.00 0.00 C ATOM 593 C LYS C 47 -7.549 10.833 0.792 1.00 0.00 C ATOM 594 O LYS C 47 -7.494 10.820 2.000 1.00 0.00 O ATOM 595 CB LYS C 47 -8.375 13.076 0.295 1.00 0.00 C ATOM 596 CG LYS C 47 -8.026 14.496 -0.018 1.00 0.00 C ATOM 597 CD LYS C 47 -9.192 15.401 0.221 1.00 0.00 C ATOM 598 CE LYS C 47 -8.865 16.826 -0.101 1.00 0.00 C ATOM 599 NZ LYS C 47 -9.964 17.709 0.080 1.00 0.00 N ATOM 0 H LYS C 47 -7.585 12.518 -1.893 1.00 0.00 H new ATOM 0 HA LYS C 47 -6.298 12.499 0.521 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -9.212 12.768 -0.331 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -8.710 13.011 1.330 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -7.184 14.811 0.599 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -7.707 14.575 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -10.036 15.075 -0.388 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -9.503 15.326 1.263 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -8.037 17.153 0.529 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -8.524 16.889 -1.134 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -9.673 18.679 -0.159 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -10.747 17.420 -0.540 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -10.276 17.676 1.071 1.00 0.00 H new ATOM 613 N ALA C 48 -7.819 9.732 0.122 1.00 0.00 N ATOM 614 CA ALA C 48 -7.797 8.389 0.647 1.00 0.00 C ATOM 615 C ALA C 48 -6.509 7.943 1.314 1.00 0.00 C ATOM 616 O ALA C 48 -6.424 6.809 1.775 1.00 0.00 O ATOM 617 CB ALA C 48 -8.169 7.484 -0.506 1.00 0.00 C ATOM 0 H ALA C 48 -8.075 9.756 -0.865 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.505 8.342 1.475 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -8.170 6.447 -0.169 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.162 7.748 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.444 7.604 -1.311 1.00 0.00 H new ATOM 623 N ALA C 49 -5.480 8.782 1.353 1.00 0.00 N ATOM 624 CA ALA C 49 -4.123 8.538 1.780 1.00 0.00 C ATOM 625 C ALA C 49 -4.060 8.112 3.237 1.00 0.00 C ATOM 626 O ALA C 49 -4.154 6.926 3.520 1.00 0.00 O ATOM 627 CB ALA C 49 -3.272 9.733 1.384 1.00 0.00 C ATOM 0 H ALA C 49 -5.598 9.750 1.053 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.692 7.678 1.267 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.242 9.566 1.699 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.305 9.860 0.302 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -3.658 10.631 1.867 1.00 0.00 H new ATOM 633 N ALA C 50 -3.864 9.012 4.198 1.00 0.00 N ATOM 634 CA ALA C 50 -3.705 8.596 5.572 1.00 0.00 C ATOM 635 C ALA C 50 -4.822 7.743 6.143 1.00 0.00 C ATOM 636 O ALA C 50 -4.555 6.822 6.900 1.00 0.00 O ATOM 637 CB ALA C 50 -3.373 9.806 6.426 1.00 0.00 C ATOM 0 H ALA C 50 -3.813 10.019 4.045 1.00 0.00 H new ATOM 0 HA ALA C 50 -2.868 7.898 5.588 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -3.252 9.497 7.464 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -2.447 10.258 6.072 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.182 10.534 6.356 1.00 0.00 H new ATOM 643 N ALA C 51 -6.050 7.940 5.672 1.00 0.00 N ATOM 644 CA ALA C 51 -7.186 7.138 6.063 1.00 0.00 C ATOM 645 C ALA C 51 -7.030 5.669 5.736 1.00 0.00 C ATOM 646 O ALA C 51 -7.690 4.850 6.324 1.00 0.00 O ATOM 647 CB ALA C 51 -8.460 7.709 5.469 1.00 0.00 C ATOM 0 H ALA C 51 -6.278 8.673 5.000 1.00 0.00 H new ATOM 0 HA ALA C 51 -7.248 7.187 7.150 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -9.309 7.096 5.771 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.603 8.729 5.827 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.384 7.714 4.382 1.00 0.00 H new ATOM 653 N ALA C 52 -6.136 5.299 4.834 1.00 0.00 N ATOM 654 CA ALA C 52 -5.674 3.949 4.650 1.00 0.00 C ATOM 655 C ALA C 52 -4.267 3.817 5.196 1.00 0.00 C ATOM 656 O ALA C 52 -4.031 3.026 6.097 1.00 0.00 O ATOM 657 CB ALA C 52 -5.735 3.627 3.171 1.00 0.00 C ATOM 0 H ALA C 52 -5.701 5.961 4.191 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.303 3.241 5.191 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.389 2.607 3.006 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.762 3.723 2.820 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -5.098 4.320 2.621 1.00 0.00 H new ATOM 663 N ILE C 53 -3.316 4.562 4.638 1.00 0.00 N ATOM 664 CA ILE C 53 -1.893 4.370 4.809 1.00 0.00 C ATOM 665 C ILE C 53 -1.438 4.518 6.250 1.00 0.00 C ATOM 666 O ILE C 53 -0.486 3.873 6.661 1.00 0.00 O ATOM 667 CB ILE C 53 -1.082 5.268 3.890 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.467 5.234 2.422 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.390 4.932 3.992 1.00 0.00 C ATOM 670 CD1 ILE C 53 -1.483 3.865 1.800 1.00 0.00 C ATOM 0 H ILE C 53 -3.535 5.350 4.028 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.703 3.335 4.524 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.305 6.274 4.245 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.456 5.678 2.311 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -0.771 5.861 1.865 1.00 0.00 H new ATOM 0 HG21 ILE C 53 0.959 5.583 3.328 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.726 5.078 5.019 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.547 3.893 3.703 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -1.769 3.945 0.751 1.00 0.00 H new ATOM 0 HD12 ILE C 53 -0.490 3.421 1.872 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -2.201 3.235 2.325 1.00 0.00 H new ATOM 682 N LYS C 54 -2.089 5.346 7.059 1.00 0.00 N ATOM 683 CA LYS C 54 -1.656 5.604 8.414 1.00 0.00 C ATOM 684 C LYS C 54 -1.919 4.403 9.304 1.00 0.00 C ATOM 685 O LYS C 54 -1.053 4.020 10.072 1.00 0.00 O ATOM 686 CB LYS C 54 -2.325 6.901 8.834 1.00 0.00 C ATOM 687 CG LYS C 54 -1.556 7.799 9.782 1.00 0.00 C ATOM 688 CD LYS C 54 -1.633 7.440 11.234 1.00 0.00 C ATOM 689 CE LYS C 54 -2.741 7.719 11.865 1.00 0.00 C ATOM 690 NZ LYS C 54 -2.716 7.529 13.284 1.00 0.00 N ATOM 0 H LYS C 54 -2.931 5.854 6.788 1.00 0.00 H new ATOM 0 HA LYS C 54 -0.578 5.741 8.502 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -2.549 7.473 7.934 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.279 6.654 9.301 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -0.508 7.797 9.483 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -1.920 8.819 9.660 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -1.454 6.369 11.326 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -0.816 7.945 11.749 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -3.001 8.758 11.661 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -3.539 7.103 11.449 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -3.643 7.779 13.684 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 -2.504 6.533 13.497 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -1.983 8.137 13.703 1.00 0.00 H new ATOM 704 N ALA C 55 -3.027 3.707 9.073 1.00 0.00 N ATOM 705 CA ALA C 55 -3.263 2.366 9.554 1.00 0.00 C ATOM 706 C ALA C 55 -2.325 1.332 8.955 1.00 0.00 C ATOM 707 O ALA C 55 -1.717 0.535 9.659 1.00 0.00 O ATOM 708 CB ALA C 55 -4.706 1.946 9.356 1.00 0.00 C ATOM 0 H ALA C 55 -3.805 4.079 8.528 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.050 2.402 10.622 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -4.844 0.932 9.730 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.361 2.626 9.901 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -4.952 1.978 8.295 1.00 0.00 H new ATOM 714 N ILE C 56 -2.135 1.380 7.639 1.00 0.00 N ATOM 715 CA ILE C 56 -1.451 0.340 6.899 1.00 0.00 C ATOM 716 C ILE C 56 0.036 0.388 7.187 1.00 0.00 C ATOM 717 O ILE C 56 0.604 -0.672 7.400 1.00 0.00 O ATOM 718 CB ILE C 56 -1.852 0.323 5.437 1.00 0.00 C ATOM 719 CG1 ILE C 56 -3.274 -0.156 5.244 1.00 0.00 C ATOM 720 CG2 ILE C 56 -0.931 -0.478 4.544 1.00 0.00 C ATOM 721 CD1 ILE C 56 -3.531 -1.645 5.309 1.00 0.00 C ATOM 0 H ILE C 56 -2.457 2.153 7.057 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.775 -0.640 7.248 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.769 1.365 5.130 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -3.895 0.324 6.000 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -3.619 0.202 4.274 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -1.293 -0.436 3.517 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.075 -0.061 4.592 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -0.911 -1.515 4.879 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -4.592 -1.838 5.153 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -2.953 -2.148 4.534 1.00 0.00 H new ATOM 0 HD13 ILE C 56 -3.233 -2.023 6.287 1.00 0.00 H new ATOM 733 N ALA C 57 0.670 1.536 7.396 1.00 0.00 N ATOM 734 CA ALA C 57 2.060 1.592 7.757 1.00 0.00 C ATOM 735 C ALA C 57 2.373 1.013 9.121 1.00 0.00 C ATOM 736 O ALA C 57 3.489 0.585 9.347 1.00 0.00 O ATOM 737 CB ALA C 57 2.520 3.028 7.578 1.00 0.00 C ATOM 0 H ALA C 57 0.224 2.450 7.317 1.00 0.00 H new ATOM 0 HA ALA C 57 2.629 0.939 7.095 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.574 3.108 7.844 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.384 3.327 6.539 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.932 3.681 8.223 1.00 0.00 H new ATOM 743 N ALA C 58 1.380 0.916 9.990 1.00 0.00 N ATOM 744 CA ALA C 58 1.450 0.247 11.267 1.00 0.00 C ATOM 745 C ALA C 58 1.120 -1.223 11.196 1.00 0.00 C ATOM 746 O ALA C 58 1.782 -2.026 11.836 1.00 0.00 O ATOM 747 CB ALA C 58 0.549 0.967 12.247 1.00 0.00 C ATOM 0 H ALA C 58 0.462 1.323 9.810 1.00 0.00 H new ATOM 0 HA ALA C 58 2.484 0.289 11.608 1.00 0.00 H new ATOM 0 HB1 ALA C 58 0.594 0.470 13.216 1.00 0.00 H new ATOM 0 HB2 ALA C 58 0.880 2.000 12.354 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -0.477 0.950 11.878 1.00 0.00 H new ATOM 753 N ILE C 59 0.171 -1.590 10.344 1.00 0.00 N ATOM 754 CA ILE C 59 -0.157 -2.940 9.950 1.00 0.00 C ATOM 755 C ILE C 59 1.008 -3.601 9.236 1.00 0.00 C ATOM 756 O ILE C 59 1.297 -4.765 9.467 1.00 0.00 O ATOM 757 CB ILE C 59 -1.445 -2.945 9.142 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.640 -2.634 10.022 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.703 -4.197 8.329 1.00 0.00 C ATOM 760 CD1 ILE C 59 -3.838 -2.046 9.301 1.00 0.00 C ATOM 0 H ILE C 59 -0.425 -0.902 9.884 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.337 -3.545 10.839 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.303 -2.154 8.406 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -2.951 -3.551 10.522 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.327 -1.938 10.800 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.646 -4.095 7.793 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.893 -4.340 7.614 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.756 -5.059 8.995 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -4.638 -1.860 10.017 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.552 -1.108 8.825 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.186 -2.747 8.542 1.00 0.00 H new ATOM 772 N ILE C 60 1.800 -2.857 8.475 1.00 0.00 N ATOM 773 CA ILE C 60 3.032 -3.307 7.874 1.00 0.00 C ATOM 774 C ILE C 60 4.050 -3.758 8.902 1.00 0.00 C ATOM 775 O ILE C 60 4.608 -4.830 8.768 1.00 0.00 O ATOM 776 CB ILE C 60 3.541 -2.194 6.979 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.745 -2.292 5.693 1.00 0.00 C ATOM 778 CG2 ILE C 60 5.030 -2.250 6.691 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.104 -1.377 4.536 1.00 0.00 C ATOM 0 H ILE C 60 1.585 -1.884 8.255 1.00 0.00 H new ATOM 0 HA ILE C 60 2.849 -4.198 7.273 1.00 0.00 H new ATOM 0 HB ILE C 60 3.404 -1.241 7.490 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.820 -3.319 5.336 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.698 -2.116 5.939 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.307 -1.417 6.044 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.584 -2.183 7.627 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.269 -3.190 6.195 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.439 -1.576 3.695 1.00 0.00 H new ATOM 0 HD12 ILE C 60 2.995 -0.338 4.847 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.135 -1.560 4.234 1.00 0.00 H new ATOM 791 N LYS C 61 4.228 -2.968 9.947 1.00 0.00 N ATOM 792 CA LYS C 61 5.054 -3.237 11.090 1.00 0.00 C ATOM 793 C LYS C 61 4.657 -4.477 11.864 1.00 0.00 C ATOM 794 O LYS C 61 5.511 -5.218 12.297 1.00 0.00 O ATOM 795 CB LYS C 61 5.111 -1.959 11.915 1.00 0.00 C ATOM 796 CG LYS C 61 6.244 -1.970 12.890 1.00 0.00 C ATOM 797 CD LYS C 61 6.577 -0.626 13.499 1.00 0.00 C ATOM 798 CE LYS C 61 5.472 -0.059 14.318 1.00 0.00 C ATOM 799 NZ LYS C 61 5.677 1.256 14.762 1.00 0.00 N ATOM 0 H LYS C 61 3.763 -2.062 10.014 1.00 0.00 H new ATOM 0 HA LYS C 61 6.061 -3.499 10.767 1.00 0.00 H new ATOM 0 HB2 LYS C 61 5.215 -1.102 11.249 1.00 0.00 H new ATOM 0 HB3 LYS C 61 4.171 -1.833 12.453 1.00 0.00 H new ATOM 0 HG2 LYS C 61 6.005 -2.667 13.693 1.00 0.00 H new ATOM 0 HG3 LYS C 61 7.132 -2.354 12.388 1.00 0.00 H new ATOM 0 HD2 LYS C 61 7.466 -0.728 14.122 1.00 0.00 H new ATOM 0 HD3 LYS C 61 6.825 0.075 12.702 1.00 0.00 H new ATOM 0 HE2 LYS C 61 4.553 -0.090 13.732 1.00 0.00 H new ATOM 0 HE3 LYS C 61 5.318 -0.700 15.186 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 4.857 1.565 15.323 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 6.533 1.294 15.351 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 5.792 1.885 13.942 1.00 0.00 H new ATOM 813 N ALA C 62 3.356 -4.694 12.010 1.00 0.00 N ATOM 814 CA ALA C 62 2.775 -5.829 12.683 1.00 0.00 C ATOM 815 C ALA C 62 2.854 -7.096 11.861 1.00 0.00 C ATOM 816 O ALA C 62 3.193 -8.149 12.368 1.00 0.00 O ATOM 817 CB ALA C 62 1.351 -5.455 13.048 1.00 0.00 C ATOM 0 H ALA C 62 2.654 -4.051 11.644 1.00 0.00 H new ATOM 0 HA ALA C 62 3.342 -6.059 13.585 1.00 0.00 H new ATOM 0 HB1 ALA C 62 0.875 -6.291 13.561 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.360 -4.585 13.704 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.793 -5.220 12.142 1.00 0.00 H new ATOM 823 N GLY C 63 2.573 -6.967 10.582 1.00 0.00 N ATOM 824 CA GLY C 63 2.702 -7.980 9.567 1.00 0.00 C ATOM 825 C GLY C 63 4.084 -8.557 9.387 1.00 0.00 C ATOM 826 O GLY C 63 4.235 -9.738 9.127 1.00 0.00 O ATOM 0 H GLY C 63 2.224 -6.087 10.202 1.00 0.00 H new ATOM 0 HA2 GLY C 63 2.017 -8.794 9.804 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.378 -7.558 8.616 1.00 0.00 H new ATOM 830 N GLY C 64 5.127 -7.757 9.558 1.00 0.00 N ATOM 831 CA GLY C 64 6.506 -8.164 9.477 1.00 0.00 C ATOM 832 C GLY C 64 7.089 -8.163 8.084 1.00 0.00 C ATOM 833 O GLY C 64 7.916 -8.983 7.739 1.00 0.00 O ATOM 0 H GLY C 64 5.021 -6.764 9.766 1.00 0.00 H new ATOM 0 HA2 GLY C 64 7.102 -7.502 10.105 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.599 -9.167 9.893 1.00 0.00 H new ATOM 837 N TYR C 65 6.626 -7.235 7.255 1.00 0.00 N ATOM 838 CA TYR C 65 6.933 -7.146 5.871 1.00 0.00 C ATOM 839 C TYR C 65 8.362 -6.903 5.550 1.00 0.00 C ATOM 840 O TYR C 65 8.729 -7.030 4.441 1.00 0.00 O ATOM 841 CB TYR C 65 6.093 -6.036 5.290 1.00 0.00 C ATOM 842 CG TYR C 65 4.785 -6.419 4.658 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.744 -7.147 3.479 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.627 -5.869 5.194 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.521 -7.269 2.821 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.401 -5.953 4.532 1.00 0.00 C ATOM 847 CZ TYR C 65 2.369 -6.651 3.322 1.00 0.00 C ATOM 848 OH TYR C 65 1.175 -6.801 2.698 1.00 0.00 O ATOM 0 H TYR C 65 5.996 -6.496 7.566 1.00 0.00 H new ATOM 0 HA TYR C 65 6.712 -8.121 5.437 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.886 -5.319 6.084 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.691 -5.518 4.540 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.636 -7.608 3.081 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.677 -5.364 6.147 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.461 -7.849 1.912 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.511 -5.496 4.939 1.00 0.00 H new ATOM 0 HH TYR C 65 0.571 -7.321 3.268 1.00 0.00 H new ATOM 868 N ALA D 68 4.606 -13.021 4.969 1.00 0.00 N ATOM 869 CA ALA D 68 3.786 -13.820 4.121 1.00 0.00 C ATOM 870 C ALA D 68 2.310 -13.667 4.368 1.00 0.00 C ATOM 871 O ALA D 68 1.557 -13.515 3.447 1.00 0.00 O ATOM 872 CB ALA D 68 4.177 -15.256 4.331 1.00 0.00 C ATOM 0 HA ALA D 68 3.952 -13.486 3.097 1.00 0.00 H new ATOM 0 HB1 ALA D 68 3.566 -15.896 3.695 1.00 0.00 H new ATOM 0 HB2 ALA D 68 5.229 -15.388 4.076 1.00 0.00 H new ATOM 0 HB3 ALA D 68 4.020 -15.527 5.375 1.00 0.00 H new ATOM 878 N LYS D 69 1.887 -13.627 5.606 1.00 0.00 N ATOM 879 CA LYS D 69 0.517 -13.454 5.976 1.00 0.00 C ATOM 880 C LYS D 69 0.062 -12.014 5.858 1.00 0.00 C ATOM 881 O LYS D 69 -1.022 -11.753 5.355 1.00 0.00 O ATOM 882 CB LYS D 69 0.280 -13.948 7.378 1.00 0.00 C ATOM 883 CG LYS D 69 0.418 -15.452 7.494 1.00 0.00 C ATOM 884 CD LYS D 69 0.095 -15.904 8.887 1.00 0.00 C ATOM 885 CE LYS D 69 0.264 -17.391 8.963 1.00 0.00 C ATOM 886 NZ LYS D 69 -0.102 -17.896 10.259 1.00 0.00 N ATOM 0 H LYS D 69 2.513 -13.718 6.406 1.00 0.00 H new ATOM 0 HA LYS D 69 -0.073 -14.045 5.275 1.00 0.00 H new ATOM 0 HB2 LYS D 69 0.988 -13.468 8.053 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -0.718 -13.652 7.700 1.00 0.00 H new ATOM 0 HG2 LYS D 69 -0.249 -15.940 6.783 1.00 0.00 H new ATOM 0 HG3 LYS D 69 1.434 -15.751 7.235 1.00 0.00 H new ATOM 0 HD2 LYS D 69 0.751 -15.412 9.605 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -0.927 -15.626 9.147 1.00 0.00 H new ATOM 0 HE2 LYS D 69 -0.350 -17.868 8.199 1.00 0.00 H new ATOM 0 HE3 LYS D 69 1.300 -17.652 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 0.026 -18.928 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 0.501 -17.458 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -1.098 -17.667 10.452 1.00 0.00 H new ATOM 900 N ALA D 70 0.959 -11.087 6.178 1.00 0.00 N ATOM 901 CA ALA D 70 0.863 -9.674 5.896 1.00 0.00 C ATOM 902 C ALA D 70 0.428 -9.396 4.469 1.00 0.00 C ATOM 903 O ALA D 70 -0.321 -8.478 4.163 1.00 0.00 O ATOM 904 CB ALA D 70 2.234 -9.070 6.157 1.00 0.00 C ATOM 0 H ALA D 70 1.820 -11.325 6.670 1.00 0.00 H new ATOM 0 HA ALA D 70 0.102 -9.229 6.537 1.00 0.00 H new ATOM 0 HB1 ALA D 70 2.204 -7.999 5.955 1.00 0.00 H new ATOM 0 HB2 ALA D 70 2.512 -9.235 7.198 1.00 0.00 H new ATOM 0 HB3 ALA D 70 2.970 -9.542 5.506 1.00 0.00 H new ATOM 910 N ALA D 71 0.889 -10.253 3.564 1.00 0.00 N ATOM 911 CA ALA D 71 0.767 -10.126 2.131 1.00 0.00 C ATOM 912 C ALA D 71 -0.549 -10.621 1.567 1.00 0.00 C ATOM 913 O ALA D 71 -0.786 -10.550 0.376 1.00 0.00 O ATOM 914 CB ALA D 71 1.959 -10.737 1.426 1.00 0.00 C ATOM 0 H ALA D 71 1.385 -11.102 3.836 1.00 0.00 H new ATOM 0 HA ALA D 71 0.763 -9.055 1.929 1.00 0.00 H new ATOM 0 HB1 ALA D 71 1.840 -10.627 0.348 1.00 0.00 H new ATOM 0 HB2 ALA D 71 2.870 -10.229 1.744 1.00 0.00 H new ATOM 0 HB3 ALA D 71 2.027 -11.795 1.677 1.00 0.00 H new ATOM 920 N ALA D 72 -1.472 -11.047 2.418 1.00 0.00 N ATOM 921 CA ALA D 72 -2.883 -10.997 2.144 1.00 0.00 C ATOM 922 C ALA D 72 -3.571 -9.938 2.975 1.00 0.00 C ATOM 923 O ALA D 72 -4.122 -8.996 2.424 1.00 0.00 O ATOM 924 CB ALA D 72 -3.470 -12.379 2.308 1.00 0.00 C ATOM 0 H ALA D 72 -1.247 -11.442 3.331 1.00 0.00 H new ATOM 0 HA ALA D 72 -3.050 -10.694 1.111 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.540 -12.347 2.101 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.987 -13.065 1.612 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.308 -12.724 3.329 1.00 0.00 H new ATOM 930 N ALA D 73 -3.458 -9.988 4.299 1.00 0.00 N ATOM 931 CA ALA D 73 -4.226 -9.222 5.252 1.00 0.00 C ATOM 932 C ALA D 73 -4.132 -7.730 5.037 1.00 0.00 C ATOM 933 O ALA D 73 -5.117 -7.076 5.219 1.00 0.00 O ATOM 934 CB ALA D 73 -3.790 -9.605 6.639 1.00 0.00 C ATOM 0 H ALA D 73 -2.785 -10.604 4.754 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.279 -9.463 5.109 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.362 -9.034 7.371 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -3.963 -10.670 6.794 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -2.728 -9.389 6.759 1.00 0.00 H new ATOM 940 N ALA D 74 -2.976 -7.188 4.690 1.00 0.00 N ATOM 941 CA ALA D 74 -2.864 -5.762 4.497 1.00 0.00 C ATOM 942 C ALA D 74 -3.326 -5.364 3.115 1.00 0.00 C ATOM 943 O ALA D 74 -3.992 -4.367 2.948 1.00 0.00 O ATOM 944 CB ALA D 74 -1.425 -5.375 4.741 1.00 0.00 C ATOM 0 H ALA D 74 -2.114 -7.712 4.539 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.509 -5.232 5.198 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.309 -4.300 4.602 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -1.144 -5.642 5.760 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -0.782 -5.903 4.037 1.00 0.00 H new ATOM 950 N ILE D 75 -2.986 -6.172 2.121 1.00 0.00 N ATOM 951 CA ILE D 75 -3.357 -5.960 0.742 1.00 0.00 C ATOM 952 C ILE D 75 -4.862 -5.985 0.559 1.00 0.00 C ATOM 953 O ILE D 75 -5.407 -5.154 -0.139 1.00 0.00 O ATOM 954 CB ILE D 75 -2.739 -7.040 -0.125 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.242 -7.212 0.039 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.088 -6.788 -1.576 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.432 -5.959 -0.215 1.00 0.00 C ATOM 0 H ILE D 75 -2.429 -7.015 2.263 1.00 0.00 H new ATOM 0 HA ILE D 75 -2.989 -4.977 0.447 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.169 -7.981 0.218 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -1.038 -7.561 1.051 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -0.902 -7.993 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -2.643 -7.565 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.171 -6.802 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.702 -5.815 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.627 -6.176 -0.075 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.600 -5.618 -1.236 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.738 -5.180 0.483 1.00 0.00 H new ATOM 969 N LYS D 76 -5.518 -6.946 1.197 1.00 0.00 N ATOM 970 CA LYS D 76 -6.939 -7.185 1.079 1.00 0.00 C ATOM 971 C LYS D 76 -7.771 -6.052 1.653 1.00 0.00 C ATOM 972 O LYS D 76 -8.774 -5.686 1.075 1.00 0.00 O ATOM 973 CB LYS D 76 -7.229 -8.502 1.783 1.00 0.00 C ATOM 974 CG LYS D 76 -6.993 -9.696 0.876 1.00 0.00 C ATOM 975 CD LYS D 76 -7.393 -11.021 1.494 1.00 0.00 C ATOM 976 CE LYS D 76 -7.330 -12.104 0.441 1.00 0.00 C ATOM 977 NZ LYS D 76 -7.803 -13.397 0.881 1.00 0.00 N ATOM 0 H LYS D 76 -5.055 -7.598 1.830 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.218 -7.237 0.027 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.597 -8.588 2.667 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.263 -8.508 2.129 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -7.551 -9.554 -0.049 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -5.937 -9.734 0.608 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -6.728 -11.264 2.322 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -8.401 -10.955 1.904 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -7.919 -11.790 -0.421 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -6.299 -12.204 0.103 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -7.725 -14.079 0.100 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -7.227 -13.723 1.684 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.797 -13.321 1.176 1.00 0.00 H new ATOM 991 N ALA D 77 -7.299 -5.476 2.750 1.00 0.00 N ATOM 992 CA ALA D 77 -7.746 -4.168 3.169 1.00 0.00 C ATOM 993 C ALA D 77 -7.520 -3.132 2.084 1.00 0.00 C ATOM 994 O ALA D 77 -8.448 -2.502 1.599 1.00 0.00 O ATOM 995 CB ALA D 77 -7.112 -3.883 4.520 1.00 0.00 C ATOM 0 H ALA D 77 -6.604 -5.901 3.364 1.00 0.00 H new ATOM 0 HA ALA D 77 -8.826 -4.125 3.312 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.428 -2.900 4.870 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -7.427 -4.642 5.237 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -6.026 -3.903 4.424 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.285 -2.897 1.646 1.00 0.00 N ATOM 1002 CA ILE D 78 -5.914 -1.763 0.837 1.00 0.00 C ATOM 1003 C ILE D 78 -6.512 -1.846 -0.555 1.00 0.00 C ATOM 1004 O ILE D 78 -7.045 -0.841 -0.985 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.425 -1.466 0.904 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.102 -0.062 1.374 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -3.629 -1.828 -0.334 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -4.470 1.078 0.450 1.00 0.00 C ATOM 0 H ILE D 78 -5.501 -3.514 1.856 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.368 -0.871 1.268 1.00 0.00 H new ATOM 0 HB ILE D 78 -4.086 -2.156 1.676 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.606 0.100 2.327 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -3.031 -0.008 1.567 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.580 -1.575 -0.179 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -3.720 -2.897 -0.525 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.014 -1.273 -1.189 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -4.184 2.025 0.908 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -3.946 0.961 -0.499 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -5.546 1.071 0.274 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.536 -2.995 -1.221 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.089 -3.031 -2.553 1.00 0.00 C ATOM 1022 C ALA D 79 -8.585 -2.783 -2.608 1.00 0.00 C ATOM 1023 O ALA D 79 -9.105 -2.369 -3.626 1.00 0.00 O ATOM 1024 CB ALA D 79 -6.747 -4.350 -3.218 1.00 0.00 C ATOM 0 H ALA D 79 -6.188 -3.886 -0.866 1.00 0.00 H new ATOM 0 HA ALA D 79 -6.632 -2.204 -3.097 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.168 -4.370 -4.223 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -5.664 -4.458 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.163 -5.171 -2.634 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.291 -2.952 -1.495 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.670 -2.567 -1.295 1.00 0.00 C ATOM 1032 C ALA D 80 -10.816 -1.106 -0.948 1.00 0.00 C ATOM 1033 O ALA D 80 -11.608 -0.407 -1.542 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.288 -3.446 -0.240 1.00 0.00 C ATOM 0 H ALA D 80 -8.887 -3.387 -0.666 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.201 -2.708 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.328 -3.156 -0.089 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.244 -4.486 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -10.740 -3.332 0.695 1.00 0.00 H new ATOM 1040 N ILE D 81 -9.990 -0.611 -0.037 1.00 0.00 N ATOM 1041 CA ILE D 81 -9.912 0.769 0.387 1.00 0.00 C ATOM 1042 C ILE D 81 -9.427 1.672 -0.730 1.00 0.00 C ATOM 1043 O ILE D 81 -9.871 2.804 -0.812 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.043 0.886 1.631 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.668 0.219 2.843 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.727 2.327 1.986 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.695 -0.177 3.935 1.00 0.00 C ATOM 0 H ILE D 81 -9.318 -1.203 0.452 1.00 0.00 H new ATOM 0 HA ILE D 81 -10.916 1.107 0.642 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.119 0.369 1.374 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.410 0.895 3.267 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.201 -0.673 2.513 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -8.105 2.353 2.881 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -8.194 2.797 1.159 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.655 2.867 2.173 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -9.239 -0.645 4.755 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -7.966 -0.882 3.535 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.179 0.710 4.301 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.654 1.186 -1.697 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.301 1.931 -2.883 1.00 0.00 C ATOM 1061 C ILE D 82 -9.527 2.309 -3.694 1.00 0.00 C ATOM 1062 O ILE D 82 -9.716 3.460 -4.034 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.256 1.164 -3.680 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -5.915 1.289 -2.990 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.116 1.711 -5.095 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -4.745 0.534 -3.590 1.00 0.00 C ATOM 0 H ILE D 82 -8.253 0.248 -1.670 1.00 0.00 H new ATOM 0 HA ILE D 82 -7.851 2.880 -2.591 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.576 0.124 -3.736 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.651 2.346 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.035 0.958 -1.959 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.361 1.138 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.072 1.629 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.815 2.758 -5.052 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -3.851 0.715 -2.994 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -4.966 -0.533 -3.597 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.576 0.877 -4.611 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.388 1.343 -3.975 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.623 1.539 -4.694 1.00 0.00 C ATOM 1080 C LYS D 83 -12.653 2.309 -3.900 1.00 0.00 C ATOM 1081 O LYS D 83 -13.271 3.208 -4.444 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.109 0.168 -5.111 1.00 0.00 C ATOM 1083 CG LYS D 83 -13.176 0.264 -6.161 1.00 0.00 C ATOM 1084 CD LYS D 83 -13.309 -0.963 -7.016 1.00 0.00 C ATOM 1085 CE LYS D 83 -13.827 -2.108 -6.338 1.00 0.00 C ATOM 1086 NZ LYS D 83 -13.979 -3.286 -7.078 1.00 0.00 N ATOM 0 H LYS D 83 -10.235 0.373 -3.697 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.451 2.163 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -11.272 -0.416 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -12.498 -0.362 -4.242 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -14.132 0.460 -5.675 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -12.963 1.119 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -13.959 -0.733 -7.860 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -12.330 -1.212 -7.426 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -13.172 -2.324 -5.494 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -14.800 -1.842 -5.926 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -14.362 -4.034 -6.465 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -14.633 -3.117 -7.869 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -13.055 -3.584 -7.451 1.00 0.00 H new ATOM 1100 N ALA D 84 -12.805 2.022 -2.615 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.720 2.693 -1.731 1.00 0.00 C ATOM 1102 C ALA D 84 -13.305 4.098 -1.367 1.00 0.00 C ATOM 1103 O ALA D 84 -14.094 5.011 -1.236 1.00 0.00 O ATOM 1104 CB ALA D 84 -13.886 1.859 -0.484 1.00 0.00 C ATOM 0 H ALA D 84 -12.270 1.287 -2.152 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.665 2.797 -2.265 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.578 2.356 0.196 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.281 0.879 -0.752 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -12.919 1.739 0.005 1.00 0.00 H new ATOM 1110 N GLY D 85 -12.024 4.299 -1.202 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.320 5.533 -0.957 1.00 0.00 C ATOM 1112 C GLY D 85 -11.317 6.411 -2.192 1.00 0.00 C ATOM 1113 O GLY D 85 -11.478 7.599 -2.079 1.00 0.00 O ATOM 0 H GLY D 85 -11.375 3.513 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.789 6.065 -0.129 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.294 5.317 -0.657 1.00 0.00 H new ATOM 1117 N GLY D 86 -11.156 5.845 -3.366 1.00 0.00 N ATOM 1118 CA GLY D 86 -11.128 6.513 -4.639 1.00 0.00 C ATOM 1119 C GLY D 86 -9.852 7.264 -4.952 1.00 0.00 C ATOM 1120 O GLY D 86 -9.926 8.415 -5.337 1.00 0.00 O ATOM 0 H GLY D 86 -11.033 4.837 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.295 5.773 -5.422 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.961 7.214 -4.680 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.711 6.616 -4.810 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.413 7.181 -5.030 1.00 0.00 C ATOM 1126 C TYR D 87 -7.151 7.750 -6.391 1.00 0.00 C ATOM 1127 O TYR D 87 -6.347 8.646 -6.536 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.378 6.132 -4.716 1.00 0.00 C ATOM 1129 CG TYR D 87 -5.853 6.079 -3.310 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.068 7.044 -2.703 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -6.132 4.909 -2.624 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.565 6.800 -1.425 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.614 4.644 -1.353 1.00 0.00 C ATOM 1134 CZ TYR D 87 -4.822 5.604 -0.745 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.392 5.407 0.525 1.00 0.00 O ATOM 0 H TYR D 87 -8.673 5.637 -4.525 1.00 0.00 H new ATOM 0 HA TYR D 87 -7.359 8.044 -4.366 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -6.804 5.157 -4.954 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.532 6.282 -5.386 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -4.848 7.971 -3.211 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -6.773 4.174 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -3.960 7.556 -0.946 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -5.827 3.710 -0.855 1.00 0.00 H new ATOM 0 HH TYR D 87 -4.978 5.887 1.147 1.00 0.00 H new