USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 612 hydrogens (20 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 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+ -116:sc= 0.825 (180deg=-0.183) USER MOD Single : A 21 TYR OH : rot 92:sc= 0.396 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 92:sc= 0.73 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 102:sc= 0.657 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 81:sc= 0.444 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 1.896 14.125 2.190 1.00 0.00 C HETATM 2 O ACE A 1 2.541 13.453 1.414 1.00 0.00 O HETATM 3 CH3 ACE A 1 2.541 15.258 2.929 1.00 0.00 C HETATM 0 H1 ACE A 1 2.034 16.190 2.680 1.00 0.00 H new HETATM 0 H2 ACE A 1 2.468 15.081 4.002 1.00 0.00 H new HETATM 0 H3 ACE A 1 3.590 15.328 2.643 1.00 0.00 H new ATOM 7 N ALA A 2 0.605 13.927 2.403 1.00 0.00 N ATOM 8 CA ALA A 2 -0.191 12.928 1.748 1.00 0.00 C ATOM 9 C ALA A 2 -0.175 12.927 0.238 1.00 0.00 C ATOM 10 O ALA A 2 -0.500 11.900 -0.339 1.00 0.00 O ATOM 11 CB ALA A 2 -1.596 13.048 2.240 1.00 0.00 C ATOM 0 H ALA A 2 0.070 14.487 3.067 1.00 0.00 H new ATOM 0 HA ALA A 2 0.270 11.976 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -2.217 12.296 1.753 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -1.618 12.894 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.979 14.042 2.007 1.00 0.00 H new ATOM 17 N LYS A 3 0.269 13.980 -0.445 1.00 0.00 N ATOM 18 CA LYS A 3 0.511 14.069 -1.866 1.00 0.00 C ATOM 19 C LYS A 3 1.554 13.117 -2.413 1.00 0.00 C ATOM 20 O LYS A 3 1.628 12.927 -3.618 1.00 0.00 O ATOM 21 CB LYS A 3 0.952 15.483 -2.184 1.00 0.00 C ATOM 22 CG LYS A 3 -0.112 16.522 -1.914 1.00 0.00 C ATOM 23 CD LYS A 3 0.265 17.849 -2.414 1.00 0.00 C ATOM 24 CE LYS A 3 -0.721 18.913 -2.071 1.00 0.00 C ATOM 25 NZ LYS A 3 -0.431 20.122 -2.587 1.00 0.00 N ATOM 0 H LYS A 3 0.483 14.858 0.028 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.428 13.788 -2.343 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.838 15.720 -1.595 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.243 15.537 -3.233 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.046 16.212 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.297 16.579 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.238 18.120 -2.005 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.376 17.803 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.706 18.607 -2.423 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.783 18.999 -0.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -1.162 20.805 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.494 20.438 -2.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -0.400 20.058 -3.625 1.00 0.00 H new ATOM 39 N ALA A 4 2.285 12.398 -1.574 1.00 0.00 N ATOM 40 CA ALA A 4 2.990 11.192 -1.926 1.00 0.00 C ATOM 41 C ALA A 4 2.119 10.102 -2.515 1.00 0.00 C ATOM 42 O ALA A 4 2.657 9.069 -2.893 1.00 0.00 O ATOM 43 CB ALA A 4 3.694 10.719 -0.664 1.00 0.00 C ATOM 0 H ALA A 4 2.403 12.655 -0.594 1.00 0.00 H new ATOM 0 HA ALA A 4 3.693 11.418 -2.727 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.246 9.803 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.386 11.489 -0.323 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.955 10.525 0.114 1.00 0.00 H new ATOM 49 N ALA A 5 0.800 10.288 -2.562 1.00 0.00 N ATOM 50 CA ALA A 5 -0.202 9.327 -2.954 1.00 0.00 C ATOM 51 C ALA A 5 0.025 8.787 -4.353 1.00 0.00 C ATOM 52 O ALA A 5 0.659 7.748 -4.472 1.00 0.00 O ATOM 53 CB ALA A 5 -1.578 9.909 -2.687 1.00 0.00 C ATOM 0 H ALA A 5 0.385 11.184 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 5 -0.121 8.430 -2.340 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.341 9.188 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.679 10.132 -1.625 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -1.703 10.826 -3.263 1.00 0.00 H new ATOM 59 N ALA A 6 -0.427 9.473 -5.402 1.00 0.00 N ATOM 60 CA ALA A 6 -0.443 8.893 -6.726 1.00 0.00 C ATOM 61 C ALA A 6 0.935 8.565 -7.266 1.00 0.00 C ATOM 62 O ALA A 6 1.100 7.580 -7.964 1.00 0.00 O ATOM 63 CB ALA A 6 -1.229 9.802 -7.657 1.00 0.00 C ATOM 0 H ALA A 6 -0.784 10.427 -5.352 1.00 0.00 H new ATOM 0 HA ALA A 6 -0.941 7.926 -6.661 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -1.245 9.371 -8.658 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -2.250 9.904 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.756 10.783 -7.692 1.00 0.00 H new ATOM 69 N ALA A 7 1.977 9.258 -6.825 1.00 0.00 N ATOM 70 CA ALA A 7 3.336 8.920 -7.185 1.00 0.00 C ATOM 71 C ALA A 7 3.781 7.543 -6.738 1.00 0.00 C ATOM 72 O ALA A 7 4.670 6.997 -7.361 1.00 0.00 O ATOM 73 CB ALA A 7 4.289 9.972 -6.656 1.00 0.00 C ATOM 0 H ALA A 7 1.898 10.067 -6.209 1.00 0.00 H new ATOM 0 HA ALA A 7 3.357 8.897 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.310 9.709 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.035 10.941 -7.085 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.208 10.023 -5.570 1.00 0.00 H new ATOM 79 N ALA A 8 3.152 6.975 -5.719 1.00 0.00 N ATOM 80 CA ALA A 8 3.263 5.575 -5.387 1.00 0.00 C ATOM 81 C ALA A 8 2.040 4.785 -5.818 1.00 0.00 C ATOM 82 O ALA A 8 2.117 3.876 -6.620 1.00 0.00 O ATOM 83 CB ALA A 8 3.469 5.480 -3.888 1.00 0.00 C ATOM 0 H ALA A 8 2.538 7.493 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 8 4.106 5.138 -5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.558 4.433 -3.599 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.380 6.011 -3.612 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.618 5.928 -3.375 1.00 0.00 H new ATOM 89 N ILE A 9 0.878 5.095 -5.254 1.00 0.00 N ATOM 90 CA ILE A 9 -0.371 4.372 -5.335 1.00 0.00 C ATOM 91 C ILE A 9 -0.881 4.190 -6.752 1.00 0.00 C ATOM 92 O ILE A 9 -1.447 3.146 -7.051 1.00 0.00 O ATOM 93 CB ILE A 9 -1.455 5.013 -4.483 1.00 0.00 C ATOM 94 CG1 ILE A 9 -1.028 5.326 -3.065 1.00 0.00 C ATOM 95 CG2 ILE A 9 -2.672 4.113 -4.418 1.00 0.00 C ATOM 96 CD1 ILE A 9 -0.412 4.211 -2.282 1.00 0.00 C ATOM 0 H ILE A 9 0.786 5.933 -4.680 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.142 3.381 -4.942 1.00 0.00 H new ATOM 0 HB ILE A 9 -1.679 5.960 -4.974 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.316 6.150 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.901 5.682 -2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.440 4.584 -3.805 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.059 3.951 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.393 3.155 -3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -0.152 4.567 -1.285 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -1.122 3.388 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.488 3.864 -2.790 1.00 0.00 H new ATOM 108 N LYS A 10 -0.592 5.119 -7.658 1.00 0.00 N ATOM 109 CA LYS A 10 -1.063 5.021 -9.018 1.00 0.00 C ATOM 110 C LYS A 10 -0.318 4.004 -9.860 1.00 0.00 C ATOM 111 O LYS A 10 -0.955 3.226 -10.560 1.00 0.00 O ATOM 112 CB LYS A 10 -1.017 6.426 -9.602 1.00 0.00 C ATOM 113 CG LYS A 10 -2.047 6.793 -10.642 1.00 0.00 C ATOM 114 CD LYS A 10 -1.990 6.111 -11.968 1.00 0.00 C ATOM 115 CE LYS A 10 -2.471 6.541 -12.805 1.00 0.00 C ATOM 116 NZ LYS A 10 -2.491 5.919 -14.085 1.00 0.00 N ATOM 0 H LYS A 10 -0.031 5.948 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.083 4.636 -9.022 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.107 7.134 -8.778 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.031 6.573 -10.042 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.032 6.606 -10.214 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.974 7.866 -10.817 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.938 5.991 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.402 5.111 -11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.511 6.697 -12.519 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.028 7.527 -12.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.018 6.517 -14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.516 5.794 -14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.954 4.990 -14.013 1.00 0.00 H new ATOM 130 N ALA A 11 0.992 3.897 -9.658 1.00 0.00 N ATOM 131 CA ALA A 11 1.752 2.734 -10.054 1.00 0.00 C ATOM 132 C ALA A 11 1.351 1.479 -9.305 1.00 0.00 C ATOM 133 O ALA A 11 1.130 0.435 -9.902 1.00 0.00 O ATOM 134 CB ALA A 11 3.236 3.019 -9.968 1.00 0.00 C ATOM 0 H ALA A 11 1.552 4.623 -9.212 1.00 0.00 H new ATOM 0 HA ALA A 11 1.512 2.525 -11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.795 2.133 -10.270 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.486 3.848 -10.630 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.497 3.281 -8.943 1.00 0.00 H new ATOM 140 N ILE A 12 1.216 1.549 -7.983 1.00 0.00 N ATOM 141 CA ILE A 12 1.097 0.399 -7.119 1.00 0.00 C ATOM 142 C ILE A 12 -0.237 -0.290 -7.291 1.00 0.00 C ATOM 143 O ILE A 12 -0.255 -1.500 -7.432 1.00 0.00 O ATOM 144 CB ILE A 12 1.419 0.729 -5.670 1.00 0.00 C ATOM 145 CG1 ILE A 12 2.914 0.886 -5.475 1.00 0.00 C ATOM 146 CG2 ILE A 12 0.825 -0.210 -4.641 1.00 0.00 C ATOM 147 CD1 ILE A 12 3.738 -0.380 -5.439 1.00 0.00 C ATOM 0 H ILE A 12 1.187 2.435 -7.479 1.00 0.00 H new ATOM 0 HA ILE A 12 1.855 -0.320 -7.429 1.00 0.00 H new ATOM 0 HB ILE A 12 0.923 1.681 -5.482 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.296 1.516 -6.278 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.079 1.424 -4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.115 0.115 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.262 -0.201 -4.724 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.194 -1.221 -4.815 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.788 -0.127 -5.294 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.400 -1.011 -4.617 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.621 -0.917 -6.380 1.00 0.00 H new ATOM 159 N ALA A 13 -1.336 0.433 -7.497 1.00 0.00 N ATOM 160 CA ALA A 13 -2.600 -0.179 -7.827 1.00 0.00 C ATOM 161 C ALA A 13 -2.655 -0.889 -9.166 1.00 0.00 C ATOM 162 O ALA A 13 -3.478 -1.754 -9.364 1.00 0.00 O ATOM 163 CB ALA A 13 -3.661 0.897 -7.716 1.00 0.00 C ATOM 0 H ALA A 13 -1.365 1.451 -7.438 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.770 -0.990 -7.119 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.636 0.473 -7.959 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.678 1.287 -6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.434 1.705 -8.411 1.00 0.00 H new ATOM 169 N ALA A 14 -1.696 -0.630 -10.049 1.00 0.00 N ATOM 170 CA ALA A 14 -1.527 -1.304 -11.317 1.00 0.00 C ATOM 171 C ALA A 14 -0.476 -2.396 -11.239 1.00 0.00 C ATOM 172 O ALA A 14 -0.632 -3.423 -11.874 1.00 0.00 O ATOM 173 CB ALA A 14 -1.220 -0.275 -12.387 1.00 0.00 C ATOM 0 H ALA A 14 -0.989 0.087 -9.887 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.455 -1.811 -11.582 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.091 -0.775 -13.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.044 0.435 -12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.304 0.256 -12.129 1.00 0.00 H new ATOM 179 N ILE A 15 0.535 -2.252 -10.395 1.00 0.00 N ATOM 180 CA ILE A 15 1.513 -3.238 -9.996 1.00 0.00 C ATOM 181 C ILE A 15 0.824 -4.335 -9.207 1.00 0.00 C ATOM 182 O ILE A 15 1.147 -5.487 -9.413 1.00 0.00 O ATOM 183 CB ILE A 15 2.637 -2.595 -9.200 1.00 0.00 C ATOM 184 CG1 ILE A 15 3.539 -1.783 -10.115 1.00 0.00 C ATOM 185 CG2 ILE A 15 3.437 -3.574 -8.363 1.00 0.00 C ATOM 186 CD1 ILE A 15 4.394 -0.753 -9.423 1.00 0.00 C ATOM 0 H ILE A 15 0.701 -1.358 -9.933 1.00 0.00 H new ATOM 0 HA ILE A 15 1.966 -3.680 -10.884 1.00 0.00 H new ATOM 0 HB ILE A 15 2.160 -1.927 -8.483 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.191 -2.468 -10.658 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.919 -1.279 -10.856 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.220 -3.038 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.777 -4.066 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.890 -4.323 -9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.000 -0.228 -10.161 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.755 -0.039 -8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 15 5.046 -1.246 -8.702 1.00 0.00 H new ATOM 198 N ILE A 16 -0.170 -4.034 -8.377 1.00 0.00 N ATOM 199 CA ILE A 16 -0.976 -5.024 -7.705 1.00 0.00 C ATOM 200 C ILE A 16 -1.607 -5.994 -8.679 1.00 0.00 C ATOM 201 O ILE A 16 -1.413 -7.187 -8.560 1.00 0.00 O ATOM 202 CB ILE A 16 -2.000 -4.343 -6.814 1.00 0.00 C ATOM 203 CG1 ILE A 16 -1.224 -3.897 -5.594 1.00 0.00 C ATOM 204 CG2 ILE A 16 -3.138 -5.251 -6.393 1.00 0.00 C ATOM 205 CD1 ILE A 16 -1.988 -3.388 -4.406 1.00 0.00 C ATOM 0 H ILE A 16 -0.436 -3.075 -8.155 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.327 -5.625 -7.068 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.474 -3.524 -7.355 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.616 -4.739 -5.262 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.536 -3.111 -5.907 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.830 -4.697 -5.759 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.664 -5.609 -7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.739 -6.101 -5.839 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.290 -3.109 -3.617 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.574 -2.516 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.655 -4.169 -4.041 1.00 0.00 H new ATOM 217 N LYS A 17 -2.313 -5.445 -9.661 1.00 0.00 N ATOM 218 CA LYS A 17 -2.974 -6.119 -10.752 1.00 0.00 C ATOM 219 C LYS A 17 -2.044 -6.936 -11.615 1.00 0.00 C ATOM 220 O LYS A 17 -2.412 -7.978 -12.030 1.00 0.00 O ATOM 221 CB LYS A 17 -3.691 -5.062 -11.566 1.00 0.00 C ATOM 222 CG LYS A 17 -4.954 -4.578 -10.877 1.00 0.00 C ATOM 223 CD LYS A 17 -5.609 -3.492 -11.690 1.00 0.00 C ATOM 224 CE LYS A 17 -6.766 -2.858 -10.956 1.00 0.00 C ATOM 225 NZ LYS A 17 -6.342 -2.079 -9.823 1.00 0.00 N ATOM 0 H LYS A 17 -2.443 -4.435 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.674 -6.846 -10.340 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.023 -4.218 -11.734 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.944 -5.468 -12.545 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.646 -5.410 -10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.713 -4.202 -9.883 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.872 -2.727 -11.935 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.962 -3.908 -12.634 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.322 -2.220 -11.643 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.450 -3.638 -10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.713 -2.505 -8.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.303 -2.060 -9.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.703 -1.108 -9.915 1.00 0.00 H new ATOM 239 N ALA A 18 -0.829 -6.509 -11.851 1.00 0.00 N ATOM 240 CA ALA A 18 0.199 -7.242 -12.549 1.00 0.00 C ATOM 241 C ALA A 18 0.900 -8.297 -11.726 1.00 0.00 C ATOM 242 O ALA A 18 1.254 -9.360 -12.173 1.00 0.00 O ATOM 243 CB ALA A 18 1.193 -6.278 -13.138 1.00 0.00 C ATOM 0 H ALA A 18 -0.512 -5.589 -11.544 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.310 -7.798 -13.336 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.969 -6.833 -13.665 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.685 -5.613 -13.836 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.646 -5.689 -12.340 1.00 0.00 H new ATOM 249 N GLY A 19 1.113 -7.991 -10.458 1.00 0.00 N ATOM 250 CA GLY A 19 1.825 -8.749 -9.461 1.00 0.00 C ATOM 251 C GLY A 19 1.133 -10.036 -9.106 1.00 0.00 C ATOM 252 O GLY A 19 1.794 -10.959 -8.775 1.00 0.00 O ATOM 0 H GLY A 19 0.754 -7.119 -10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.828 -8.969 -9.826 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.939 -8.143 -8.562 1.00 0.00 H new ATOM 256 N GLY A 20 -0.157 -10.113 -9.184 1.00 0.00 N ATOM 257 CA GLY A 20 -0.913 -11.287 -8.866 1.00 0.00 C ATOM 258 C GLY A 20 -1.302 -11.490 -7.432 1.00 0.00 C ATOM 259 O GLY A 20 -1.437 -12.599 -7.005 1.00 0.00 O ATOM 0 H GLY A 20 -0.738 -9.330 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.825 -11.273 -9.463 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.337 -12.155 -9.185 1.00 0.00 H new ATOM 263 N TYR A 21 -1.405 -10.421 -6.683 1.00 0.00 N ATOM 264 CA TYR A 21 -1.729 -10.369 -5.306 1.00 0.00 C ATOM 265 C TYR A 21 -3.029 -10.944 -4.951 1.00 0.00 C ATOM 266 O TYR A 21 -3.231 -11.296 -3.858 1.00 0.00 O ATOM 267 CB TYR A 21 -1.663 -8.916 -4.897 1.00 0.00 C ATOM 268 CG TYR A 21 -0.339 -8.401 -4.400 1.00 0.00 C ATOM 269 CD1 TYR A 21 0.276 -8.814 -3.239 1.00 0.00 C ATOM 270 CD2 TYR A 21 0.179 -7.322 -5.070 1.00 0.00 C ATOM 271 CE1 TYR A 21 1.384 -8.128 -2.738 1.00 0.00 C ATOM 272 CE2 TYR A 21 1.252 -6.587 -4.558 1.00 0.00 C ATOM 273 CZ TYR A 21 1.854 -6.993 -3.376 1.00 0.00 C ATOM 274 OH TYR A 21 2.886 -6.254 -2.896 1.00 0.00 O ATOM 0 H TYR A 21 -1.248 -9.490 -7.070 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.012 -10.990 -4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.961 -8.310 -5.753 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.405 -8.751 -4.115 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.102 -9.677 -2.711 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.253 -7.033 -6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.878 -8.485 -1.846 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.609 -5.711 -5.078 1.00 0.00 H new ATOM 0 HH TYR A 21 3.725 -6.568 -3.292 1.00 0.00 H new HETATM 284 N NH2 A 22 -3.912 -11.061 -5.822 1.00 0.00 N TER 287 NH2 A 22 HETATM 288 C ACE B 23 1.717 -14.596 -1.372 1.00 0.00 C HETATM 289 O ACE B 23 1.270 -14.551 -0.268 1.00 0.00 O HETATM 290 CH3 ACE B 23 2.489 -15.727 -1.784 1.00 0.00 C HETATM 0 H1 ACE B 23 2.007 -16.206 -2.636 1.00 0.00 H new HETATM 0 H2 ACE B 23 3.489 -15.401 -2.069 1.00 0.00 H new HETATM 0 H3 ACE B 23 2.560 -16.438 -0.961 1.00 0.00 H new ATOM 294 N ALA B 24 1.557 -13.664 -2.188 1.00 0.00 N ATOM 295 CA ALA B 24 2.073 -13.539 -3.510 1.00 0.00 C ATOM 296 C ALA B 24 3.475 -12.994 -3.538 1.00 0.00 C ATOM 297 O ALA B 24 3.859 -12.245 -2.683 1.00 0.00 O ATOM 298 CB ALA B 24 1.144 -12.631 -4.252 1.00 0.00 C ATOM 0 H ALA B 24 0.992 -12.853 -1.938 1.00 0.00 H new ATOM 0 HA ALA B 24 2.130 -14.525 -3.972 1.00 0.00 H new ATOM 0 HB1 ALA B 24 1.499 -12.504 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA B 24 0.145 -13.066 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA B 24 1.111 -11.661 -3.756 1.00 0.00 H new ATOM 304 N LYS B 25 4.260 -13.322 -4.551 1.00 0.00 N ATOM 305 CA LYS B 25 5.600 -12.861 -4.740 1.00 0.00 C ATOM 306 C LYS B 25 5.700 -11.383 -4.985 1.00 0.00 C ATOM 307 O LYS B 25 6.744 -10.806 -4.781 1.00 0.00 O ATOM 308 CB LYS B 25 6.244 -13.539 -5.918 1.00 0.00 C ATOM 309 CG LYS B 25 6.377 -15.031 -5.772 1.00 0.00 C ATOM 310 CD LYS B 25 7.233 -15.628 -6.855 1.00 0.00 C ATOM 311 CE LYS B 25 6.619 -15.578 -8.225 1.00 0.00 C ATOM 312 NZ LYS B 25 7.411 -16.181 -9.250 1.00 0.00 N ATOM 0 H LYS B 25 3.952 -13.949 -5.294 1.00 0.00 H new ATOM 0 HA LYS B 25 6.108 -13.103 -3.806 1.00 0.00 H new ATOM 0 HB2 LYS B 25 5.659 -13.323 -6.812 1.00 0.00 H new ATOM 0 HB3 LYS B 25 7.234 -13.110 -6.074 1.00 0.00 H new ATOM 0 HG2 LYS B 25 6.809 -15.263 -4.799 1.00 0.00 H new ATOM 0 HG3 LYS B 25 5.388 -15.488 -5.798 1.00 0.00 H new ATOM 0 HD2 LYS B 25 8.188 -15.103 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS B 25 7.446 -16.667 -6.603 1.00 0.00 H new ATOM 0 HE2 LYS B 25 5.649 -16.074 -8.193 1.00 0.00 H new ATOM 0 HE3 LYS B 25 6.436 -14.537 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 6.916 -16.104 -10.162 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 8.328 -15.695 -9.311 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 7.566 -17.184 -9.024 1.00 0.00 H new ATOM 326 N ALA B 26 4.619 -10.764 -5.440 1.00 0.00 N ATOM 327 CA ALA B 26 4.498 -9.355 -5.634 1.00 0.00 C ATOM 328 C ALA B 26 4.745 -8.545 -4.378 1.00 0.00 C ATOM 329 O ALA B 26 4.829 -7.329 -4.424 1.00 0.00 O ATOM 330 CB ALA B 26 3.102 -9.121 -6.144 1.00 0.00 C ATOM 0 H ALA B 26 3.770 -11.270 -5.691 1.00 0.00 H new ATOM 0 HA ALA B 26 5.261 -9.022 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA B 26 2.950 -8.055 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA B 26 2.962 -9.659 -7.081 1.00 0.00 H new ATOM 0 HB3 ALA B 26 2.381 -9.479 -5.409 1.00 0.00 H new ATOM 336 N ALA B 27 4.863 -9.205 -3.241 1.00 0.00 N ATOM 337 CA ALA B 27 4.955 -8.634 -1.919 1.00 0.00 C ATOM 338 C ALA B 27 6.200 -7.781 -1.768 1.00 0.00 C ATOM 339 O ALA B 27 6.145 -6.577 -1.969 1.00 0.00 O ATOM 340 CB ALA B 27 4.722 -9.712 -0.878 1.00 0.00 C ATOM 0 H ALA B 27 4.899 -10.224 -3.220 1.00 0.00 H new ATOM 0 HA ALA B 27 4.156 -7.913 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA B 27 4.792 -9.277 0.119 1.00 0.00 H new ATOM 0 HB2 ALA B 27 3.731 -10.143 -1.016 1.00 0.00 H new ATOM 0 HB3 ALA B 27 5.475 -10.492 -0.987 1.00 0.00 H new ATOM 346 N ALA B 28 7.352 -8.357 -1.437 1.00 0.00 N ATOM 347 CA ALA B 28 8.517 -7.602 -1.060 1.00 0.00 C ATOM 348 C ALA B 28 9.222 -6.908 -2.205 1.00 0.00 C ATOM 349 O ALA B 28 10.307 -6.386 -2.055 1.00 0.00 O ATOM 350 CB ALA B 28 9.431 -8.511 -0.258 1.00 0.00 C ATOM 0 H ALA B 28 7.492 -9.367 -1.426 1.00 0.00 H new ATOM 0 HA ALA B 28 8.192 -6.765 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA B 28 10.323 -7.959 0.039 1.00 0.00 H new ATOM 0 HB2 ALA B 28 8.907 -8.861 0.632 1.00 0.00 H new ATOM 0 HB3 ALA B 28 9.720 -9.366 -0.868 1.00 0.00 H new ATOM 356 N ALA B 29 8.602 -6.868 -3.375 1.00 0.00 N ATOM 357 CA ALA B 29 8.881 -5.999 -4.482 1.00 0.00 C ATOM 358 C ALA B 29 8.126 -4.696 -4.343 1.00 0.00 C ATOM 359 O ALA B 29 8.725 -3.654 -4.267 1.00 0.00 O ATOM 360 CB ALA B 29 8.550 -6.725 -5.760 1.00 0.00 C ATOM 0 H ALA B 29 7.828 -7.500 -3.580 1.00 0.00 H new ATOM 0 HA ALA B 29 9.939 -5.737 -4.500 1.00 0.00 H new ATOM 0 HB1 ALA B 29 8.757 -6.076 -6.611 1.00 0.00 H new ATOM 0 HB2 ALA B 29 9.158 -7.626 -5.834 1.00 0.00 H new ATOM 0 HB3 ALA B 29 7.495 -6.998 -5.760 1.00 0.00 H new ATOM 366 N ALA B 30 6.805 -4.718 -4.278 1.00 0.00 N ATOM 367 CA ALA B 30 5.958 -3.547 -4.337 1.00 0.00 C ATOM 368 C ALA B 30 5.825 -2.898 -2.976 1.00 0.00 C ATOM 369 O ALA B 30 5.778 -1.684 -2.864 1.00 0.00 O ATOM 370 CB ALA B 30 4.609 -3.999 -4.852 1.00 0.00 C ATOM 0 H ALA B 30 6.278 -5.586 -4.179 1.00 0.00 H new ATOM 0 HA ALA B 30 6.392 -2.797 -4.998 1.00 0.00 H new ATOM 0 HB1 ALA B 30 3.937 -3.143 -4.912 1.00 0.00 H new ATOM 0 HB2 ALA B 30 4.726 -4.438 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA B 30 4.191 -4.742 -4.173 1.00 0.00 H new ATOM 376 N ILE B 31 5.799 -3.708 -1.928 1.00 0.00 N ATOM 377 CA ILE B 31 5.811 -3.265 -0.555 1.00 0.00 C ATOM 378 C ILE B 31 7.096 -2.528 -0.238 1.00 0.00 C ATOM 379 O ILE B 31 7.074 -1.544 0.489 1.00 0.00 O ATOM 380 CB ILE B 31 5.634 -4.466 0.364 1.00 0.00 C ATOM 381 CG1 ILE B 31 4.334 -5.222 0.159 1.00 0.00 C ATOM 382 CG2 ILE B 31 5.836 -4.110 1.829 1.00 0.00 C ATOM 383 CD1 ILE B 31 3.093 -4.388 0.368 1.00 0.00 C ATOM 0 H ILE B 31 5.768 -4.723 -2.020 1.00 0.00 H new ATOM 0 HA ILE B 31 4.986 -2.570 -0.397 1.00 0.00 H new ATOM 0 HB ILE B 31 6.428 -5.152 0.070 1.00 0.00 H new ATOM 0 HG12 ILE B 31 4.319 -5.628 -0.852 1.00 0.00 H new ATOM 0 HG13 ILE B 31 4.308 -6.070 0.844 1.00 0.00 H new ATOM 0 HG21 ILE B 31 5.699 -5.001 2.442 1.00 0.00 H new ATOM 0 HG22 ILE B 31 6.844 -3.722 1.973 1.00 0.00 H new ATOM 0 HG23 ILE B 31 5.110 -3.352 2.123 1.00 0.00 H new ATOM 0 HD11 ILE B 31 2.209 -5.003 0.202 1.00 0.00 H new ATOM 0 HD12 ILE B 31 3.081 -4.003 1.388 1.00 0.00 H new ATOM 0 HD13 ILE B 31 3.092 -3.555 -0.335 1.00 0.00 H new ATOM 395 N LYS B 32 8.239 -2.976 -0.747 1.00 0.00 N ATOM 396 CA LYS B 32 9.470 -2.233 -0.622 1.00 0.00 C ATOM 397 C LYS B 32 9.384 -0.873 -1.285 1.00 0.00 C ATOM 398 O LYS B 32 9.664 0.131 -0.652 1.00 0.00 O ATOM 399 CB LYS B 32 10.578 -3.123 -1.153 1.00 0.00 C ATOM 400 CG LYS B 32 11.099 -4.082 -0.113 1.00 0.00 C ATOM 401 CD LYS B 32 11.779 -3.458 1.014 1.00 0.00 C ATOM 402 CE LYS B 32 12.493 -4.475 1.825 1.00 0.00 C ATOM 403 NZ LYS B 32 13.147 -3.896 2.869 1.00 0.00 N ATOM 0 H LYS B 32 8.330 -3.858 -1.252 1.00 0.00 H new ATOM 0 HA LYS B 32 9.684 -1.990 0.419 1.00 0.00 H new ATOM 0 HB2 LYS B 32 10.207 -3.687 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS B 32 11.398 -2.501 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS B 32 10.264 -4.671 0.267 1.00 0.00 H new ATOM 0 HG3 LYS B 32 11.787 -4.777 -0.594 1.00 0.00 H new ATOM 0 HD2 LYS B 32 12.487 -2.713 0.651 1.00 0.00 H new ATOM 0 HD3 LYS B 32 11.055 -2.933 1.636 1.00 0.00 H new ATOM 0 HE2 LYS B 32 11.782 -5.211 2.200 1.00 0.00 H new ATOM 0 HE3 LYS B 32 13.205 -5.011 1.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 13.638 -4.629 3.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 13.841 -3.211 2.507 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 12.462 -3.405 3.478 1.00 0.00 H new ATOM 417 N ALA B 33 8.843 -0.821 -2.496 1.00 0.00 N ATOM 418 CA ALA B 33 8.425 0.363 -3.209 1.00 0.00 C ATOM 419 C ALA B 33 7.222 1.097 -2.643 1.00 0.00 C ATOM 420 O ALA B 33 6.669 1.982 -3.283 1.00 0.00 O ATOM 421 CB ALA B 33 8.233 -0.040 -4.658 1.00 0.00 C ATOM 0 H ALA B 33 8.676 -1.669 -3.037 1.00 0.00 H new ATOM 0 HA ALA B 33 9.208 1.113 -3.098 1.00 0.00 H new ATOM 0 HB1 ALA B 33 7.916 0.827 -5.238 1.00 0.00 H new ATOM 0 HB2 ALA B 33 9.173 -0.419 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA B 33 7.472 -0.818 -4.722 1.00 0.00 H new ATOM 427 N ILE B 34 6.818 0.777 -1.420 1.00 0.00 N ATOM 428 CA ILE B 34 5.850 1.443 -0.578 1.00 0.00 C ATOM 429 C ILE B 34 6.519 1.839 0.726 1.00 0.00 C ATOM 430 O ILE B 34 6.619 3.017 1.006 1.00 0.00 O ATOM 431 CB ILE B 34 4.550 0.658 -0.490 1.00 0.00 C ATOM 432 CG1 ILE B 34 3.627 1.021 -1.606 1.00 0.00 C ATOM 433 CG2 ILE B 34 3.821 0.699 0.807 1.00 0.00 C ATOM 434 CD1 ILE B 34 2.861 2.247 -1.444 1.00 0.00 C ATOM 0 H ILE B 34 7.205 -0.042 -0.951 1.00 0.00 H new ATOM 0 HA ILE B 34 5.514 2.383 -1.017 1.00 0.00 H new ATOM 0 HB ILE B 34 4.883 -0.376 -0.577 1.00 0.00 H new ATOM 0 HG12 ILE B 34 4.214 1.104 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE B 34 2.927 0.198 -1.751 1.00 0.00 H new ATOM 0 HG21 ILE B 34 2.914 0.099 0.734 1.00 0.00 H new ATOM 0 HG22 ILE B 34 4.458 0.298 1.595 1.00 0.00 H new ATOM 0 HG23 ILE B 34 3.556 1.730 1.043 1.00 0.00 H new ATOM 0 HD11 ILE B 34 2.230 2.400 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE B 34 2.236 2.170 -0.555 1.00 0.00 H new ATOM 0 HD13 ILE B 34 3.543 3.091 -1.337 1.00 0.00 H new ATOM 446 N ALA B 35 7.060 0.949 1.547 1.00 0.00 N ATOM 447 CA ALA B 35 7.594 1.316 2.836 1.00 0.00 C ATOM 448 C ALA B 35 8.782 2.260 2.797 1.00 0.00 C ATOM 449 O ALA B 35 8.999 3.039 3.706 1.00 0.00 O ATOM 450 CB ALA B 35 7.939 0.060 3.615 1.00 0.00 C ATOM 0 H ALA B 35 7.137 -0.045 1.331 1.00 0.00 H new ATOM 0 HA ALA B 35 6.807 1.882 3.335 1.00 0.00 H new ATOM 0 HB1 ALA B 35 8.343 0.336 4.589 1.00 0.00 H new ATOM 0 HB2 ALA B 35 7.041 -0.542 3.751 1.00 0.00 H new ATOM 0 HB3 ALA B 35 8.682 -0.517 3.064 1.00 0.00 H new ATOM 456 N ALA B 36 9.505 2.263 1.684 1.00 0.00 N ATOM 457 CA ALA B 36 10.575 3.184 1.387 1.00 0.00 C ATOM 458 C ALA B 36 10.104 4.484 0.764 1.00 0.00 C ATOM 459 O ALA B 36 10.563 5.560 1.106 1.00 0.00 O ATOM 460 CB ALA B 36 11.605 2.465 0.542 1.00 0.00 C ATOM 0 H ALA B 36 9.348 1.589 0.935 1.00 0.00 H new ATOM 0 HA ALA B 36 11.032 3.499 2.325 1.00 0.00 H new ATOM 0 HB1 ALA B 36 12.423 3.146 0.307 1.00 0.00 H new ATOM 0 HB2 ALA B 36 11.993 1.608 1.093 1.00 0.00 H new ATOM 0 HB3 ALA B 36 11.142 2.122 -0.383 1.00 0.00 H new ATOM 466 N ILE B 37 9.086 4.391 -0.079 1.00 0.00 N ATOM 467 CA ILE B 37 8.319 5.476 -0.650 1.00 0.00 C ATOM 468 C ILE B 37 7.616 6.289 0.423 1.00 0.00 C ATOM 469 O ILE B 37 7.428 7.493 0.308 1.00 0.00 O ATOM 470 CB ILE B 37 7.383 4.862 -1.679 1.00 0.00 C ATOM 471 CG1 ILE B 37 7.828 5.128 -3.111 1.00 0.00 C ATOM 472 CG2 ILE B 37 5.920 5.251 -1.542 1.00 0.00 C ATOM 473 CD1 ILE B 37 9.137 4.449 -3.491 1.00 0.00 C ATOM 0 H ILE B 37 8.753 3.483 -0.403 1.00 0.00 H new ATOM 0 HA ILE B 37 8.962 6.202 -1.148 1.00 0.00 H new ATOM 0 HB ILE B 37 7.453 3.797 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE B 37 7.046 4.792 -3.792 1.00 0.00 H new ATOM 0 HG13 ILE B 37 7.934 6.203 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE B 37 5.338 4.760 -2.323 1.00 0.00 H new ATOM 0 HG22 ILE B 37 5.551 4.940 -0.565 1.00 0.00 H new ATOM 0 HG23 ILE B 37 5.820 6.332 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE B 37 9.384 4.688 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE B 37 9.934 4.803 -2.837 1.00 0.00 H new ATOM 0 HD13 ILE B 37 9.032 3.369 -3.383 1.00 0.00 H new ATOM 485 N ILE B 38 7.146 5.632 1.479 1.00 0.00 N ATOM 486 CA ILE B 38 6.547 6.274 2.626 1.00 0.00 C ATOM 487 C ILE B 38 7.581 7.078 3.393 1.00 0.00 C ATOM 488 O ILE B 38 7.382 8.261 3.618 1.00 0.00 O ATOM 489 CB ILE B 38 5.800 5.242 3.459 1.00 0.00 C ATOM 490 CG1 ILE B 38 4.581 4.822 2.662 1.00 0.00 C ATOM 491 CG2 ILE B 38 5.365 5.844 4.787 1.00 0.00 C ATOM 492 CD1 ILE B 38 3.657 3.784 3.266 1.00 0.00 C ATOM 0 H ILE B 38 7.176 4.615 1.555 1.00 0.00 H new ATOM 0 HA ILE B 38 5.802 7.004 2.308 1.00 0.00 H new ATOM 0 HB ILE B 38 6.443 4.388 3.674 1.00 0.00 H new ATOM 0 HG12 ILE B 38 3.991 5.716 2.459 1.00 0.00 H new ATOM 0 HG13 ILE B 38 4.926 4.442 1.700 1.00 0.00 H new ATOM 0 HG21 ILE B 38 4.832 5.093 5.370 1.00 0.00 H new ATOM 0 HG22 ILE B 38 6.243 6.177 5.340 1.00 0.00 H new ATOM 0 HG23 ILE B 38 4.708 6.694 4.603 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.833 3.588 2.580 1.00 0.00 H new ATOM 0 HD12 ILE B 38 4.211 2.862 3.441 1.00 0.00 H new ATOM 0 HD13 ILE B 38 3.262 4.155 4.212 1.00 0.00 H new ATOM 504 N LYS B 39 8.735 6.499 3.703 1.00 0.00 N ATOM 505 CA LYS B 39 9.836 7.180 4.339 1.00 0.00 C ATOM 506 C LYS B 39 10.238 8.438 3.592 1.00 0.00 C ATOM 507 O LYS B 39 10.445 9.454 4.216 1.00 0.00 O ATOM 508 CB LYS B 39 10.985 6.205 4.513 1.00 0.00 C ATOM 509 CG LYS B 39 12.176 6.707 5.300 1.00 0.00 C ATOM 510 CD LYS B 39 12.003 6.886 6.777 1.00 0.00 C ATOM 511 CE LYS B 39 11.947 5.568 7.427 1.00 0.00 C ATOM 512 NZ LYS B 39 11.940 5.696 8.826 1.00 0.00 N ATOM 0 H LYS B 39 8.927 5.516 3.510 1.00 0.00 H new ATOM 0 HA LYS B 39 9.524 7.524 5.325 1.00 0.00 H new ATOM 0 HB2 LYS B 39 10.603 5.310 5.004 1.00 0.00 H new ATOM 0 HB3 LYS B 39 11.331 5.903 3.524 1.00 0.00 H new ATOM 0 HG2 LYS B 39 13.002 6.014 5.140 1.00 0.00 H new ATOM 0 HG3 LYS B 39 12.478 7.666 4.878 1.00 0.00 H new ATOM 0 HD2 LYS B 39 12.830 7.469 7.183 1.00 0.00 H new ATOM 0 HD3 LYS B 39 11.089 7.444 6.982 1.00 0.00 H new ATOM 0 HE2 LYS B 39 11.052 5.036 7.103 1.00 0.00 H new ATOM 0 HE3 LYS B 39 12.804 4.969 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS B 39 11.900 4.752 9.261 1.00 0.00 H new ATOM 0 HZ2 LYS B 39 12.806 6.183 9.134 1.00 0.00 H new ATOM 0 HZ3 LYS B 39 11.109 6.248 9.120 1.00 0.00 H new ATOM 526 N ALA B 40 10.333 8.363 2.278 1.00 0.00 N ATOM 527 CA ALA B 40 10.734 9.442 1.413 1.00 0.00 C ATOM 528 C ALA B 40 9.633 10.408 1.058 1.00 0.00 C ATOM 529 O ALA B 40 9.905 11.559 0.852 1.00 0.00 O ATOM 530 CB ALA B 40 11.362 8.838 0.197 1.00 0.00 C ATOM 0 H ALA B 40 10.122 7.506 1.767 1.00 0.00 H new ATOM 0 HA ALA B 40 11.448 10.062 1.955 1.00 0.00 H new ATOM 0 HB1 ALA B 40 11.678 9.631 -0.481 1.00 0.00 H new ATOM 0 HB2 ALA B 40 12.228 8.245 0.491 1.00 0.00 H new ATOM 0 HB3 ALA B 40 10.638 8.197 -0.306 1.00 0.00 H new ATOM 536 N GLY B 41 8.394 9.961 0.979 1.00 0.00 N ATOM 537 CA GLY B 41 7.212 10.682 0.612 1.00 0.00 C ATOM 538 C GLY B 41 6.738 11.645 1.665 1.00 0.00 C ATOM 539 O GLY B 41 6.226 12.694 1.333 1.00 0.00 O ATOM 0 H GLY B 41 8.181 8.987 1.193 1.00 0.00 H new ATOM 0 HA2 GLY B 41 7.404 11.231 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY B 41 6.415 9.970 0.398 1.00 0.00 H new ATOM 543 N GLY B 42 6.891 11.287 2.926 1.00 0.00 N ATOM 544 CA GLY B 42 6.433 12.073 4.039 1.00 0.00 C ATOM 545 C GLY B 42 4.925 12.069 4.178 1.00 0.00 C ATOM 546 O GLY B 42 4.343 13.107 4.424 1.00 0.00 O ATOM 0 H GLY B 42 7.349 10.419 3.204 1.00 0.00 H new ATOM 0 HA2 GLY B 42 6.879 11.690 4.957 1.00 0.00 H new ATOM 0 HA3 GLY B 42 6.780 13.100 3.920 1.00 0.00 H new ATOM 550 N TYR B 43 4.296 10.919 3.982 1.00 0.00 N ATOM 551 CA TYR B 43 2.878 10.709 3.930 1.00 0.00 C ATOM 552 C TYR B 43 2.107 11.142 5.151 1.00 0.00 C ATOM 553 O TYR B 43 0.991 11.492 5.058 1.00 0.00 O ATOM 554 CB TYR B 43 2.642 9.234 3.654 1.00 0.00 C ATOM 555 CG TYR B 43 2.361 8.815 2.235 1.00 0.00 C ATOM 556 CD1 TYR B 43 1.136 9.007 1.603 1.00 0.00 C ATOM 557 CD2 TYR B 43 3.333 8.070 1.578 1.00 0.00 C ATOM 558 CE1 TYR B 43 0.885 8.397 0.370 1.00 0.00 C ATOM 559 CE2 TYR B 43 3.091 7.408 0.374 1.00 0.00 C ATOM 560 CZ TYR B 43 1.857 7.597 -0.246 1.00 0.00 C ATOM 561 OH TYR B 43 1.609 6.999 -1.437 1.00 0.00 O ATOM 0 H TYR B 43 4.814 10.051 3.846 1.00 0.00 H new ATOM 0 HA TYR B 43 2.494 11.350 3.137 1.00 0.00 H new ATOM 0 HB2 TYR B 43 3.520 8.686 3.996 1.00 0.00 H new ATOM 0 HB3 TYR B 43 1.803 8.909 4.270 1.00 0.00 H new ATOM 0 HD1 TYR B 43 0.381 9.626 2.064 1.00 0.00 H new ATOM 0 HD2 TYR B 43 4.317 8.001 2.018 1.00 0.00 H new ATOM 0 HE1 TYR B 43 -0.069 8.544 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR B 43 3.840 6.766 -0.066 1.00 0.00 H new ATOM 0 HH TYR B 43 1.913 7.581 -2.165 1.00 0.00 H new HETATM 571 N NH2 B 44 2.648 11.167 6.295 1.00 0.00 N TER 574 NH2 B 44 HETATM 575 C ACE C 45 -4.640 13.883 -1.110 1.00 0.00 C HETATM 576 O ACE C 45 -4.470 14.844 -0.454 1.00 0.00 O HETATM 577 CH3 ACE C 45 -3.485 13.025 -1.525 1.00 0.00 C HETATM 0 H1 ACE C 45 -3.623 12.016 -1.136 1.00 0.00 H new HETATM 0 H2 ACE C 45 -3.430 12.990 -2.613 1.00 0.00 H new HETATM 0 H3 ACE C 45 -2.560 13.443 -1.128 1.00 0.00 H new ATOM 581 N ALA C 46 -5.814 13.542 -1.484 1.00 0.00 N ATOM 582 CA ALA C 46 -7.031 14.237 -1.185 1.00 0.00 C ATOM 583 C ALA C 46 -7.831 13.627 -0.062 1.00 0.00 C ATOM 584 O ALA C 46 -8.378 14.323 0.770 1.00 0.00 O ATOM 585 CB ALA C 46 -7.844 14.324 -2.450 1.00 0.00 C ATOM 0 H ALA C 46 -5.974 12.709 -2.050 1.00 0.00 H new ATOM 0 HA ALA C 46 -6.767 15.230 -0.822 1.00 0.00 H new ATOM 0 HB1 ALA C 46 -8.777 14.850 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA C 46 -7.279 14.866 -3.209 1.00 0.00 H new ATOM 0 HB3 ALA C 46 -8.065 13.319 -2.810 1.00 0.00 H new ATOM 591 N LYS C 47 -7.983 12.314 -0.052 1.00 0.00 N ATOM 592 CA LYS C 47 -8.894 11.624 0.815 1.00 0.00 C ATOM 593 C LYS C 47 -8.485 10.224 1.237 1.00 0.00 C ATOM 594 O LYS C 47 -8.419 9.902 2.414 1.00 0.00 O ATOM 595 CB LYS C 47 -10.232 11.647 0.112 1.00 0.00 C ATOM 596 CG LYS C 47 -11.391 11.171 0.939 1.00 0.00 C ATOM 597 CD LYS C 47 -11.752 12.038 2.075 1.00 0.00 C ATOM 598 CE LYS C 47 -12.250 13.313 1.638 1.00 0.00 C ATOM 599 NZ LYS C 47 -12.658 14.087 2.719 1.00 0.00 N ATOM 0 H LYS C 47 -7.458 11.691 -0.666 1.00 0.00 H new ATOM 0 HA LYS C 47 -8.917 12.140 1.775 1.00 0.00 H new ATOM 0 HB2 LYS C 47 -10.435 12.666 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS C 47 -10.166 11.029 -0.783 1.00 0.00 H new ATOM 0 HG2 LYS C 47 -12.261 11.069 0.291 1.00 0.00 H new ATOM 0 HG3 LYS C 47 -11.159 10.177 1.321 1.00 0.00 H new ATOM 0 HD2 LYS C 47 -12.508 11.542 2.684 1.00 0.00 H new ATOM 0 HD3 LYS C 47 -10.879 12.187 2.710 1.00 0.00 H new ATOM 0 HE2 LYS C 47 -11.474 13.839 1.082 1.00 0.00 H new ATOM 0 HE3 LYS C 47 -13.087 13.166 0.955 1.00 0.00 H new ATOM 0 HZ1 LYS C 47 -13.013 15.002 2.376 1.00 0.00 H new ATOM 0 HZ2 LYS C 47 -13.415 13.593 3.234 1.00 0.00 H new ATOM 0 HZ3 LYS C 47 -11.852 14.245 3.357 1.00 0.00 H new ATOM 613 N ALA C 48 -8.327 9.365 0.234 1.00 0.00 N ATOM 614 CA ALA C 48 -8.031 7.967 0.383 1.00 0.00 C ATOM 615 C ALA C 48 -6.655 7.772 0.996 1.00 0.00 C ATOM 616 O ALA C 48 -6.366 6.735 1.575 1.00 0.00 O ATOM 617 CB ALA C 48 -8.098 7.317 -0.982 1.00 0.00 C ATOM 0 H ALA C 48 -8.408 9.649 -0.742 1.00 0.00 H new ATOM 0 HA ALA C 48 -8.759 7.506 1.051 1.00 0.00 H new ATOM 0 HB1 ALA C 48 -7.876 6.254 -0.890 1.00 0.00 H new ATOM 0 HB2 ALA C 48 -9.098 7.444 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA C 48 -7.368 7.784 -1.644 1.00 0.00 H new ATOM 623 N ALA C 49 -5.823 8.803 0.914 1.00 0.00 N ATOM 624 CA ALA C 49 -4.432 8.785 1.304 1.00 0.00 C ATOM 625 C ALA C 49 -4.279 8.567 2.799 1.00 0.00 C ATOM 626 O ALA C 49 -4.136 7.450 3.262 1.00 0.00 O ATOM 627 CB ALA C 49 -3.737 10.005 0.717 1.00 0.00 C ATOM 0 H ALA C 49 -6.120 9.711 0.557 1.00 0.00 H new ATOM 0 HA ALA C 49 -3.912 7.925 0.882 1.00 0.00 H new ATOM 0 HB1 ALA C 49 -2.686 10.000 1.006 1.00 0.00 H new ATOM 0 HB2 ALA C 49 -3.814 9.980 -0.370 1.00 0.00 H new ATOM 0 HB3 ALA C 49 -4.212 10.911 1.093 1.00 0.00 H new ATOM 633 N ALA C 50 -4.377 9.633 3.585 1.00 0.00 N ATOM 634 CA ALA C 50 -4.128 9.582 5.007 1.00 0.00 C ATOM 635 C ALA C 50 -5.165 8.820 5.802 1.00 0.00 C ATOM 636 O ALA C 50 -5.074 8.785 7.015 1.00 0.00 O ATOM 637 CB ALA C 50 -3.876 10.996 5.488 1.00 0.00 C ATOM 0 H ALA C 50 -4.634 10.559 3.244 1.00 0.00 H new ATOM 0 HA ALA C 50 -3.236 8.982 5.189 1.00 0.00 H new ATOM 0 HB1 ALA C 50 -3.685 10.987 6.561 1.00 0.00 H new ATOM 0 HB2 ALA C 50 -3.011 11.408 4.969 1.00 0.00 H new ATOM 0 HB3 ALA C 50 -4.751 11.612 5.281 1.00 0.00 H new ATOM 643 N ALA C 51 -6.135 8.150 5.191 1.00 0.00 N ATOM 644 CA ALA C 51 -6.996 7.138 5.747 1.00 0.00 C ATOM 645 C ALA C 51 -6.378 5.766 5.586 1.00 0.00 C ATOM 646 O ALA C 51 -6.214 5.070 6.550 1.00 0.00 O ATOM 647 CB ALA C 51 -8.360 7.174 5.091 1.00 0.00 C ATOM 0 H ALA C 51 -6.350 8.323 4.209 1.00 0.00 H new ATOM 0 HA ALA C 51 -7.117 7.345 6.810 1.00 0.00 H new ATOM 0 HB1 ALA C 51 -8.994 6.401 5.526 1.00 0.00 H new ATOM 0 HB2 ALA C 51 -8.816 8.151 5.253 1.00 0.00 H new ATOM 0 HB3 ALA C 51 -8.254 6.996 4.021 1.00 0.00 H new ATOM 653 N ALA C 52 -6.021 5.353 4.386 1.00 0.00 N ATOM 654 CA ALA C 52 -5.583 4.003 4.114 1.00 0.00 C ATOM 655 C ALA C 52 -4.119 3.799 4.419 1.00 0.00 C ATOM 656 O ALA C 52 -3.743 2.776 4.935 1.00 0.00 O ATOM 657 CB ALA C 52 -5.859 3.682 2.658 1.00 0.00 C ATOM 0 H ALA C 52 -6.028 5.956 3.563 1.00 0.00 H new ATOM 0 HA ALA C 52 -6.139 3.330 4.767 1.00 0.00 H new ATOM 0 HB1 ALA C 52 -5.532 2.665 2.441 1.00 0.00 H new ATOM 0 HB2 ALA C 52 -6.928 3.769 2.462 1.00 0.00 H new ATOM 0 HB3 ALA C 52 -5.316 4.381 2.022 1.00 0.00 H new ATOM 663 N ILE C 53 -3.314 4.821 4.162 1.00 0.00 N ATOM 664 CA ILE C 53 -1.901 4.822 4.452 1.00 0.00 C ATOM 665 C ILE C 53 -1.614 4.755 5.938 1.00 0.00 C ATOM 666 O ILE C 53 -0.698 4.068 6.376 1.00 0.00 O ATOM 667 CB ILE C 53 -1.221 6.076 3.925 1.00 0.00 C ATOM 668 CG1 ILE C 53 -1.391 6.294 2.433 1.00 0.00 C ATOM 669 CG2 ILE C 53 0.260 6.085 4.260 1.00 0.00 C ATOM 670 CD1 ILE C 53 -0.685 5.312 1.533 1.00 0.00 C ATOM 0 H ILE C 53 -3.640 5.689 3.736 1.00 0.00 H new ATOM 0 HA ILE C 53 -1.510 3.933 3.958 1.00 0.00 H new ATOM 0 HB ILE C 53 -1.728 6.898 4.431 1.00 0.00 H new ATOM 0 HG12 ILE C 53 -2.456 6.267 2.202 1.00 0.00 H new ATOM 0 HG13 ILE C 53 -1.038 7.296 2.191 1.00 0.00 H new ATOM 0 HG21 ILE C 53 0.716 6.995 3.869 1.00 0.00 H new ATOM 0 HG22 ILE C 53 0.389 6.051 5.342 1.00 0.00 H new ATOM 0 HG23 ILE C 53 0.740 5.216 3.810 1.00 0.00 H new ATOM 0 HD11 ILE C 53 -0.879 5.568 0.492 1.00 0.00 H new ATOM 0 HD12 ILE C 53 0.388 5.351 1.722 1.00 0.00 H new ATOM 0 HD13 ILE C 53 -1.052 4.306 1.734 1.00 0.00 H new ATOM 682 N LYS C 54 -2.428 5.429 6.748 1.00 0.00 N ATOM 683 CA LYS C 54 -2.364 5.430 8.189 1.00 0.00 C ATOM 684 C LYS C 54 -2.671 4.051 8.742 1.00 0.00 C ATOM 685 O LYS C 54 -1.974 3.606 9.637 1.00 0.00 O ATOM 686 CB LYS C 54 -3.336 6.478 8.712 1.00 0.00 C ATOM 687 CG LYS C 54 -2.692 7.839 8.915 1.00 0.00 C ATOM 688 CD LYS C 54 -2.065 8.041 10.061 1.00 0.00 C ATOM 689 CE LYS C 54 -1.608 9.448 10.284 1.00 0.00 C ATOM 690 NZ LYS C 54 -0.567 9.944 9.610 1.00 0.00 N ATOM 0 H LYS C 54 -3.183 6.014 6.390 1.00 0.00 H new ATOM 0 HA LYS C 54 -1.356 5.682 8.520 1.00 0.00 H new ATOM 0 HB2 LYS C 54 -4.166 6.576 8.013 1.00 0.00 H new ATOM 0 HB3 LYS C 54 -3.755 6.136 9.658 1.00 0.00 H new ATOM 0 HG2 LYS C 54 -1.980 8.001 8.106 1.00 0.00 H new ATOM 0 HG3 LYS C 54 -3.467 8.599 8.814 1.00 0.00 H new ATOM 0 HD2 LYS C 54 -2.728 7.755 10.878 1.00 0.00 H new ATOM 0 HD3 LYS C 54 -1.199 7.381 10.107 1.00 0.00 H new ATOM 0 HE2 LYS C 54 -2.460 10.097 10.081 1.00 0.00 H new ATOM 0 HE3 LYS C 54 -1.378 9.546 11.345 1.00 0.00 H new ATOM 0 HZ1 LYS C 54 -0.403 10.929 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS C 54 0.281 9.377 9.815 1.00 0.00 H new ATOM 0 HZ3 LYS C 54 -0.767 9.912 8.590 1.00 0.00 H new ATOM 704 N ALA C 55 -3.616 3.345 8.133 1.00 0.00 N ATOM 705 CA ALA C 55 -3.817 1.932 8.337 1.00 0.00 C ATOM 706 C ALA C 55 -2.600 1.134 7.902 1.00 0.00 C ATOM 707 O ALA C 55 -2.075 0.344 8.678 1.00 0.00 O ATOM 708 CB ALA C 55 -5.122 1.514 7.682 1.00 0.00 C ATOM 0 H ALA C 55 -4.274 3.756 7.471 1.00 0.00 H new ATOM 0 HA ALA C 55 -3.918 1.710 9.399 1.00 0.00 H new ATOM 0 HB1 ALA C 55 -5.279 0.446 7.833 1.00 0.00 H new ATOM 0 HB2 ALA C 55 -5.947 2.069 8.128 1.00 0.00 H new ATOM 0 HB3 ALA C 55 -5.077 1.727 6.614 1.00 0.00 H new ATOM 714 N ILE C 56 -2.103 1.320 6.682 1.00 0.00 N ATOM 715 CA ILE C 56 -1.072 0.502 6.086 1.00 0.00 C ATOM 716 C ILE C 56 0.251 0.630 6.821 1.00 0.00 C ATOM 717 O ILE C 56 0.836 -0.388 7.162 1.00 0.00 O ATOM 718 CB ILE C 56 -0.940 0.666 4.579 1.00 0.00 C ATOM 719 CG1 ILE C 56 -0.778 -0.724 3.995 1.00 0.00 C ATOM 720 CG2 ILE C 56 0.208 1.550 4.129 1.00 0.00 C ATOM 721 CD1 ILE C 56 -0.519 -0.842 2.511 1.00 0.00 C ATOM 0 H ILE C 56 -2.422 2.070 6.069 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.404 -0.528 6.214 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.836 1.175 4.223 1.00 0.00 H new ATOM 0 HG12 ILE C 56 0.044 -1.213 4.518 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.681 -1.290 4.223 1.00 0.00 H new ATOM 0 HG21 ILE C 56 0.220 1.605 3.040 1.00 0.00 H new ATOM 0 HG22 ILE C 56 0.080 2.551 4.542 1.00 0.00 H new ATOM 0 HG23 ILE C 56 1.150 1.130 4.481 1.00 0.00 H new ATOM 0 HD11 ILE C 56 -0.426 -1.894 2.240 1.00 0.00 H new ATOM 0 HD12 ILE C 56 -1.348 -0.398 1.960 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.404 -0.320 2.260 1.00 0.00 H new ATOM 733 N ALA C 57 0.660 1.835 7.217 1.00 0.00 N ATOM 734 CA ALA C 57 1.935 1.966 7.884 1.00 0.00 C ATOM 735 C ALA C 57 1.986 1.265 9.228 1.00 0.00 C ATOM 736 O ALA C 57 3.054 0.869 9.666 1.00 0.00 O ATOM 737 CB ALA C 57 2.320 3.436 7.884 1.00 0.00 C ATOM 0 H ALA C 57 0.140 2.703 7.089 1.00 0.00 H new ATOM 0 HA ALA C 57 2.707 1.428 7.334 1.00 0.00 H new ATOM 0 HB1 ALA C 57 3.281 3.560 8.383 1.00 0.00 H new ATOM 0 HB2 ALA C 57 2.396 3.792 6.857 1.00 0.00 H new ATOM 0 HB3 ALA C 57 1.560 4.011 8.412 1.00 0.00 H new ATOM 743 N ALA C 58 0.842 1.082 9.877 1.00 0.00 N ATOM 744 CA ALA C 58 0.648 0.318 11.086 1.00 0.00 C ATOM 745 C ALA C 58 0.503 -1.167 10.827 1.00 0.00 C ATOM 746 O ALA C 58 1.168 -1.976 11.451 1.00 0.00 O ATOM 747 CB ALA C 58 -0.556 0.873 11.820 1.00 0.00 C ATOM 0 H ALA C 58 -0.029 1.495 9.543 1.00 0.00 H new ATOM 0 HA ALA C 58 1.540 0.418 11.705 1.00 0.00 H new ATOM 0 HB1 ALA C 58 -0.716 0.306 12.737 1.00 0.00 H new ATOM 0 HB2 ALA C 58 -0.381 1.920 12.067 1.00 0.00 H new ATOM 0 HB3 ALA C 58 -1.438 0.793 11.185 1.00 0.00 H new ATOM 753 N ILE C 59 -0.305 -1.533 9.834 1.00 0.00 N ATOM 754 CA ILE C 59 -0.502 -2.880 9.356 1.00 0.00 C ATOM 755 C ILE C 59 0.785 -3.496 8.838 1.00 0.00 C ATOM 756 O ILE C 59 0.999 -4.682 9.044 1.00 0.00 O ATOM 757 CB ILE C 59 -1.619 -2.922 8.326 1.00 0.00 C ATOM 758 CG1 ILE C 59 -2.976 -2.705 8.970 1.00 0.00 C ATOM 759 CG2 ILE C 59 -1.632 -4.215 7.536 1.00 0.00 C ATOM 760 CD1 ILE C 59 -4.076 -2.307 8.003 1.00 0.00 C ATOM 0 H ILE C 59 -0.866 -0.853 9.320 1.00 0.00 H new ATOM 0 HA ILE C 59 -0.809 -3.495 10.202 1.00 0.00 H new ATOM 0 HB ILE C 59 -1.418 -2.106 7.632 1.00 0.00 H new ATOM 0 HG12 ILE C 59 -3.272 -3.621 9.480 1.00 0.00 H new ATOM 0 HG13 ILE C 59 -2.883 -1.932 9.732 1.00 0.00 H new ATOM 0 HG21 ILE C 59 -2.449 -4.193 6.815 1.00 0.00 H new ATOM 0 HG22 ILE C 59 -0.685 -4.328 7.008 1.00 0.00 H new ATOM 0 HG23 ILE C 59 -1.771 -5.055 8.216 1.00 0.00 H new ATOM 0 HD11 ILE C 59 -5.010 -2.173 8.549 1.00 0.00 H new ATOM 0 HD12 ILE C 59 -3.807 -1.373 7.510 1.00 0.00 H new ATOM 0 HD13 ILE C 59 -4.203 -3.089 7.254 1.00 0.00 H new ATOM 772 N ILE C 60 1.680 -2.718 8.230 1.00 0.00 N ATOM 773 CA ILE C 60 2.959 -3.177 7.733 1.00 0.00 C ATOM 774 C ILE C 60 3.830 -3.702 8.857 1.00 0.00 C ATOM 775 O ILE C 60 4.310 -4.827 8.808 1.00 0.00 O ATOM 776 CB ILE C 60 3.592 -2.050 6.929 1.00 0.00 C ATOM 777 CG1 ILE C 60 2.912 -2.013 5.574 1.00 0.00 C ATOM 778 CG2 ILE C 60 5.104 -2.148 6.817 1.00 0.00 C ATOM 779 CD1 ILE C 60 3.525 -1.065 4.563 1.00 0.00 C ATOM 0 H ILE C 60 1.522 -1.723 8.069 1.00 0.00 H new ATOM 0 HA ILE C 60 2.831 -4.029 7.066 1.00 0.00 H new ATOM 0 HB ILE C 60 3.434 -1.110 7.458 1.00 0.00 H new ATOM 0 HG12 ILE C 60 2.921 -3.019 5.155 1.00 0.00 H new ATOM 0 HG13 ILE C 60 1.867 -1.737 5.718 1.00 0.00 H new ATOM 0 HG21 ILE C 60 5.480 -1.310 6.230 1.00 0.00 H new ATOM 0 HG22 ILE C 60 5.545 -2.120 7.813 1.00 0.00 H new ATOM 0 HG23 ILE C 60 5.373 -3.084 6.327 1.00 0.00 H new ATOM 0 HD11 ILE C 60 2.964 -1.116 3.630 1.00 0.00 H new ATOM 0 HD12 ILE C 60 3.491 -0.047 4.952 1.00 0.00 H new ATOM 0 HD13 ILE C 60 4.561 -1.349 4.379 1.00 0.00 H new ATOM 791 N LYS C 61 3.965 -2.886 9.897 1.00 0.00 N ATOM 792 CA LYS C 61 4.641 -3.186 11.135 1.00 0.00 C ATOM 793 C LYS C 61 4.034 -4.350 11.898 1.00 0.00 C ATOM 794 O LYS C 61 4.752 -5.232 12.338 1.00 0.00 O ATOM 795 CB LYS C 61 4.638 -1.898 11.943 1.00 0.00 C ATOM 796 CG LYS C 61 5.766 -0.989 11.565 1.00 0.00 C ATOM 797 CD LYS C 61 6.006 0.121 12.543 1.00 0.00 C ATOM 798 CE LYS C 61 4.919 1.125 12.624 1.00 0.00 C ATOM 799 NZ LYS C 61 5.075 2.073 13.657 1.00 0.00 N ATOM 0 H LYS C 61 3.578 -1.942 9.888 1.00 0.00 H new ATOM 0 HA LYS C 61 5.657 -3.523 10.930 1.00 0.00 H new ATOM 0 HB2 LYS C 61 3.691 -1.380 11.794 1.00 0.00 H new ATOM 0 HB3 LYS C 61 4.707 -2.137 13.004 1.00 0.00 H new ATOM 0 HG2 LYS C 61 6.678 -1.578 11.469 1.00 0.00 H new ATOM 0 HG3 LYS C 61 5.560 -0.558 10.585 1.00 0.00 H new ATOM 0 HD2 LYS C 61 6.156 -0.312 13.532 1.00 0.00 H new ATOM 0 HD3 LYS C 61 6.932 0.630 12.274 1.00 0.00 H new ATOM 0 HE2 LYS C 61 4.856 1.651 11.672 1.00 0.00 H new ATOM 0 HE3 LYS C 61 3.971 0.605 12.765 1.00 0.00 H new ATOM 0 HZ1 LYS C 61 4.274 2.736 13.643 1.00 0.00 H new ATOM 0 HZ2 LYS C 61 5.105 1.585 14.575 1.00 0.00 H new ATOM 0 HZ3 LYS C 61 5.962 2.598 13.515 1.00 0.00 H new ATOM 813 N ALA C 62 2.712 -4.392 12.021 1.00 0.00 N ATOM 814 CA ALA C 62 1.999 -5.490 12.632 1.00 0.00 C ATOM 815 C ALA C 62 2.116 -6.777 11.842 1.00 0.00 C ATOM 816 O ALA C 62 2.232 -7.831 12.426 1.00 0.00 O ATOM 817 CB ALA C 62 0.550 -5.100 12.839 1.00 0.00 C ATOM 0 H ALA C 62 2.101 -3.646 11.690 1.00 0.00 H new ATOM 0 HA ALA C 62 2.461 -5.691 13.599 1.00 0.00 H new ATOM 0 HB1 ALA C 62 0.012 -5.929 13.300 1.00 0.00 H new ATOM 0 HB2 ALA C 62 0.498 -4.227 13.489 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.096 -4.863 11.877 1.00 0.00 H new ATOM 823 N GLY C 63 2.171 -6.689 10.526 1.00 0.00 N ATOM 824 CA GLY C 63 2.303 -7.771 9.582 1.00 0.00 C ATOM 825 C GLY C 63 3.695 -8.364 9.561 1.00 0.00 C ATOM 826 O GLY C 63 3.880 -9.529 9.316 1.00 0.00 O ATOM 0 H GLY C 63 2.120 -5.784 10.058 1.00 0.00 H new ATOM 0 HA2 GLY C 63 1.584 -8.552 9.829 1.00 0.00 H new ATOM 0 HA3 GLY C 63 2.052 -7.410 8.585 1.00 0.00 H new ATOM 830 N GLY C 64 4.730 -7.578 9.791 1.00 0.00 N ATOM 831 CA GLY C 64 6.095 -8.052 9.826 1.00 0.00 C ATOM 832 C GLY C 64 6.819 -8.016 8.504 1.00 0.00 C ATOM 833 O GLY C 64 7.753 -8.775 8.307 1.00 0.00 O ATOM 0 H GLY C 64 4.641 -6.576 9.961 1.00 0.00 H new ATOM 0 HA2 GLY C 64 6.653 -7.452 10.545 1.00 0.00 H new ATOM 0 HA3 GLY C 64 6.098 -9.077 10.196 1.00 0.00 H new ATOM 837 N TYR C 65 6.422 -7.147 7.583 1.00 0.00 N ATOM 838 CA TYR C 65 7.005 -6.979 6.276 1.00 0.00 C ATOM 839 C TYR C 65 8.456 -6.577 6.278 1.00 0.00 C ATOM 840 O TYR C 65 9.193 -6.945 5.441 1.00 0.00 O ATOM 841 CB TYR C 65 6.172 -5.927 5.565 1.00 0.00 C ATOM 842 CG TYR C 65 4.952 -6.385 4.821 1.00 0.00 C ATOM 843 CD1 TYR C 65 4.943 -7.423 3.889 1.00 0.00 C ATOM 844 CD2 TYR C 65 3.828 -5.582 5.007 1.00 0.00 C ATOM 845 CE1 TYR C 65 3.763 -7.641 3.175 1.00 0.00 C ATOM 846 CE2 TYR C 65 2.647 -5.786 4.289 1.00 0.00 C ATOM 847 CZ TYR C 65 2.637 -6.816 3.339 1.00 0.00 C ATOM 848 OH TYR C 65 1.508 -7.061 2.620 1.00 0.00 O ATOM 0 H TYR C 65 5.642 -6.510 7.746 1.00 0.00 H new ATOM 0 HA TYR C 65 6.993 -7.945 5.772 1.00 0.00 H new ATOM 0 HB2 TYR C 65 5.856 -5.193 6.306 1.00 0.00 H new ATOM 0 HB3 TYR C 65 6.820 -5.408 4.858 1.00 0.00 H new ATOM 0 HD1 TYR C 65 5.817 -8.036 3.726 1.00 0.00 H new ATOM 0 HD2 TYR C 65 3.871 -4.778 5.727 1.00 0.00 H new ATOM 0 HE1 TYR C 65 3.714 -8.465 2.479 1.00 0.00 H new ATOM 0 HE2 TYR C 65 1.774 -5.173 4.460 1.00 0.00 H new ATOM 0 HH TYR C 65 0.848 -7.508 3.190 1.00 0.00 H new HETATM 858 N NH2 C 66 8.910 -5.883 7.254 1.00 0.00 N TER 861 NH2 C 66 HETATM 862 C ACE D 67 4.984 -11.665 5.498 1.00 0.00 C HETATM 863 O ACE D 67 4.222 -11.396 4.593 1.00 0.00 O HETATM 864 CH3 ACE D 67 5.791 -10.600 6.195 1.00 0.00 C HETATM 0 H1 ACE D 67 5.537 -10.587 7.255 1.00 0.00 H new HETATM 0 H2 ACE D 67 6.853 -10.814 6.079 1.00 0.00 H new HETATM 0 H3 ACE D 67 5.567 -9.628 5.756 1.00 0.00 H new ATOM 868 N ALA D 68 5.109 -12.910 5.920 1.00 0.00 N ATOM 869 CA ALA D 68 4.510 -14.069 5.354 1.00 0.00 C ATOM 870 C ALA D 68 3.011 -14.028 5.172 1.00 0.00 C ATOM 871 O ALA D 68 2.528 -14.393 4.155 1.00 0.00 O ATOM 872 CB ALA D 68 4.860 -15.217 6.256 1.00 0.00 C ATOM 0 H ALA D 68 5.681 -13.137 6.733 1.00 0.00 H new ATOM 0 HA ALA D 68 4.900 -14.158 4.340 1.00 0.00 H new ATOM 0 HB1 ALA D 68 4.422 -16.135 5.864 1.00 0.00 H new ATOM 0 HB2 ALA D 68 5.944 -15.324 6.305 1.00 0.00 H new ATOM 0 HB3 ALA D 68 4.469 -15.027 7.256 1.00 0.00 H new ATOM 878 N LYS D 69 2.243 -13.520 6.098 1.00 0.00 N ATOM 879 CA LYS D 69 0.805 -13.427 6.086 1.00 0.00 C ATOM 880 C LYS D 69 0.282 -12.027 5.891 1.00 0.00 C ATOM 881 O LYS D 69 -0.774 -11.846 5.307 1.00 0.00 O ATOM 882 CB LYS D 69 0.258 -13.877 7.403 1.00 0.00 C ATOM 883 CG LYS D 69 0.551 -15.285 7.748 1.00 0.00 C ATOM 884 CD LYS D 69 -0.284 -15.907 8.828 1.00 0.00 C ATOM 885 CE LYS D 69 -0.108 -15.281 10.107 1.00 0.00 C ATOM 886 NZ LYS D 69 -0.853 -15.930 11.120 1.00 0.00 N ATOM 0 H LYS D 69 2.639 -13.127 6.952 1.00 0.00 H new ATOM 0 HA LYS D 69 0.490 -14.049 5.248 1.00 0.00 H new ATOM 0 HB2 LYS D 69 0.660 -13.234 8.186 1.00 0.00 H new ATOM 0 HB3 LYS D 69 -0.823 -13.736 7.399 1.00 0.00 H new ATOM 0 HG2 LYS D 69 0.440 -15.886 6.845 1.00 0.00 H new ATOM 0 HG3 LYS D 69 1.597 -15.350 8.048 1.00 0.00 H new ATOM 0 HD2 LYS D 69 -1.335 -15.851 8.544 1.00 0.00 H new ATOM 0 HD3 LYS D 69 -0.032 -16.964 8.910 1.00 0.00 H new ATOM 0 HE2 LYS D 69 0.949 -15.289 10.372 1.00 0.00 H new ATOM 0 HE3 LYS D 69 -0.413 -14.236 10.045 1.00 0.00 H new ATOM 0 HZ1 LYS D 69 -0.698 -15.447 12.028 1.00 0.00 H new ATOM 0 HZ2 LYS D 69 -1.864 -15.900 10.880 1.00 0.00 H new ATOM 0 HZ3 LYS D 69 -0.544 -16.920 11.198 1.00 0.00 H new ATOM 900 N ALA D 70 1.087 -11.031 6.253 1.00 0.00 N ATOM 901 CA ALA D 70 0.950 -9.647 5.879 1.00 0.00 C ATOM 902 C ALA D 70 0.589 -9.505 4.415 1.00 0.00 C ATOM 903 O ALA D 70 -0.196 -8.644 4.039 1.00 0.00 O ATOM 904 CB ALA D 70 2.248 -8.932 6.199 1.00 0.00 C ATOM 0 H ALA D 70 1.898 -11.190 6.851 1.00 0.00 H new ATOM 0 HA ALA D 70 0.136 -9.195 6.445 1.00 0.00 H new ATOM 0 HB1 ALA D 70 2.162 -7.881 5.922 1.00 0.00 H new ATOM 0 HB2 ALA D 70 2.453 -9.010 7.267 1.00 0.00 H new ATOM 0 HB3 ALA D 70 3.063 -9.390 5.639 1.00 0.00 H new ATOM 910 N ALA D 71 1.131 -10.409 3.604 1.00 0.00 N ATOM 911 CA ALA D 71 1.043 -10.425 2.162 1.00 0.00 C ATOM 912 C ALA D 71 -0.244 -10.976 1.576 1.00 0.00 C ATOM 913 O ALA D 71 -0.434 -10.903 0.377 1.00 0.00 O ATOM 914 CB ALA D 71 2.270 -11.117 1.596 1.00 0.00 C ATOM 0 H ALA D 71 1.674 -11.193 3.966 1.00 0.00 H new ATOM 0 HA ALA D 71 1.016 -9.380 1.853 1.00 0.00 H new ATOM 0 HB1 ALA D 71 2.210 -11.132 0.508 1.00 0.00 H new ATOM 0 HB2 ALA D 71 3.166 -10.577 1.902 1.00 0.00 H new ATOM 0 HB3 ALA D 71 2.317 -12.139 1.971 1.00 0.00 H new ATOM 920 N ALA D 72 -1.199 -11.435 2.380 1.00 0.00 N ATOM 921 CA ALA D 72 -2.604 -11.404 2.065 1.00 0.00 C ATOM 922 C ALA D 72 -3.353 -10.385 2.899 1.00 0.00 C ATOM 923 O ALA D 72 -3.972 -9.471 2.372 1.00 0.00 O ATOM 924 CB ALA D 72 -3.150 -12.806 2.176 1.00 0.00 C ATOM 0 H ALA D 72 -1.000 -11.848 3.291 1.00 0.00 H new ATOM 0 HA ALA D 72 -2.749 -11.065 1.039 1.00 0.00 H new ATOM 0 HB1 ALA D 72 -4.214 -12.802 1.941 1.00 0.00 H new ATOM 0 HB2 ALA D 72 -2.626 -13.457 1.476 1.00 0.00 H new ATOM 0 HB3 ALA D 72 -3.005 -13.174 3.192 1.00 0.00 H new ATOM 930 N ALA D 73 -3.263 -10.475 4.223 1.00 0.00 N ATOM 931 CA ALA D 73 -4.012 -9.744 5.219 1.00 0.00 C ATOM 932 C ALA D 73 -3.974 -8.233 5.060 1.00 0.00 C ATOM 933 O ALA D 73 -5.004 -7.615 5.283 1.00 0.00 O ATOM 934 CB ALA D 73 -3.578 -10.145 6.615 1.00 0.00 C ATOM 0 H ALA D 73 -2.603 -11.121 4.656 1.00 0.00 H new ATOM 0 HA ALA D 73 -5.053 -10.025 5.060 1.00 0.00 H new ATOM 0 HB1 ALA D 73 -4.154 -9.583 7.350 1.00 0.00 H new ATOM 0 HB2 ALA D 73 -3.750 -11.212 6.757 1.00 0.00 H new ATOM 0 HB3 ALA D 73 -2.517 -9.929 6.743 1.00 0.00 H new ATOM 940 N ALA D 74 -2.846 -7.654 4.665 1.00 0.00 N ATOM 941 CA ALA D 74 -2.773 -6.223 4.461 1.00 0.00 C ATOM 942 C ALA D 74 -3.363 -5.863 3.111 1.00 0.00 C ATOM 943 O ALA D 74 -4.208 -4.988 2.980 1.00 0.00 O ATOM 944 CB ALA D 74 -1.348 -5.703 4.552 1.00 0.00 C ATOM 0 H ALA D 74 -1.977 -8.155 4.482 1.00 0.00 H new ATOM 0 HA ALA D 74 -3.348 -5.750 5.257 1.00 0.00 H new ATOM 0 HB1 ALA D 74 -1.343 -4.625 4.392 1.00 0.00 H new ATOM 0 HB2 ALA D 74 -0.942 -5.926 5.539 1.00 0.00 H new ATOM 0 HB3 ALA D 74 -0.735 -6.185 3.790 1.00 0.00 H new ATOM 950 N ILE D 75 -2.987 -6.613 2.079 1.00 0.00 N ATOM 951 CA ILE D 75 -3.394 -6.427 0.705 1.00 0.00 C ATOM 952 C ILE D 75 -4.895 -6.571 0.523 1.00 0.00 C ATOM 953 O ILE D 75 -5.501 -5.863 -0.266 1.00 0.00 O ATOM 954 CB ILE D 75 -2.699 -7.471 -0.156 1.00 0.00 C ATOM 955 CG1 ILE D 75 -1.197 -7.542 0.055 1.00 0.00 C ATOM 956 CG2 ILE D 75 -3.080 -7.321 -1.612 1.00 0.00 C ATOM 957 CD1 ILE D 75 -0.498 -6.217 -0.181 1.00 0.00 C ATOM 0 H ILE D 75 -2.357 -7.407 2.194 1.00 0.00 H new ATOM 0 HA ILE D 75 -3.116 -5.415 0.410 1.00 0.00 H new ATOM 0 HB ILE D 75 -3.067 -8.440 0.182 1.00 0.00 H new ATOM 0 HG12 ILE D 75 -0.995 -7.876 1.073 1.00 0.00 H new ATOM 0 HG13 ILE D 75 -0.777 -8.292 -0.616 1.00 0.00 H new ATOM 0 HG21 ILE D 75 -2.568 -8.081 -2.202 1.00 0.00 H new ATOM 0 HG22 ILE D 75 -4.158 -7.443 -1.720 1.00 0.00 H new ATOM 0 HG23 ILE D 75 -2.789 -6.331 -1.964 1.00 0.00 H new ATOM 0 HD11 ILE D 75 0.573 -6.336 -0.014 1.00 0.00 H new ATOM 0 HD12 ILE D 75 -0.671 -5.892 -1.207 1.00 0.00 H new ATOM 0 HD13 ILE D 75 -0.892 -5.470 0.508 1.00 0.00 H new ATOM 969 N LYS D 76 -5.513 -7.517 1.218 1.00 0.00 N ATOM 970 CA LYS D 76 -6.899 -7.902 1.099 1.00 0.00 C ATOM 971 C LYS D 76 -7.858 -6.863 1.647 1.00 0.00 C ATOM 972 O LYS D 76 -8.885 -6.602 1.059 1.00 0.00 O ATOM 973 CB LYS D 76 -7.080 -9.244 1.796 1.00 0.00 C ATOM 974 CG LYS D 76 -6.712 -10.444 0.941 1.00 0.00 C ATOM 975 CD LYS D 76 -7.810 -10.819 -0.028 1.00 0.00 C ATOM 976 CE LYS D 76 -7.469 -12.071 -0.755 1.00 0.00 C ATOM 977 NZ LYS D 76 -8.503 -12.454 -1.698 1.00 0.00 N ATOM 0 H LYS D 76 -5.021 -8.066 1.923 1.00 0.00 H new ATOM 0 HA LYS D 76 -7.144 -7.985 0.040 1.00 0.00 H new ATOM 0 HB2 LYS D 76 -6.472 -9.256 2.700 1.00 0.00 H new ATOM 0 HB3 LYS D 76 -8.119 -9.341 2.110 1.00 0.00 H new ATOM 0 HG2 LYS D 76 -5.800 -10.225 0.386 1.00 0.00 H new ATOM 0 HG3 LYS D 76 -6.495 -11.295 1.587 1.00 0.00 H new ATOM 0 HD2 LYS D 76 -8.748 -10.951 0.512 1.00 0.00 H new ATOM 0 HD3 LYS D 76 -7.964 -10.009 -0.741 1.00 0.00 H new ATOM 0 HE2 LYS D 76 -6.527 -11.936 -1.286 1.00 0.00 H new ATOM 0 HE3 LYS D 76 -7.318 -12.877 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS D 76 -8.224 -13.331 -2.182 1.00 0.00 H new ATOM 0 HZ2 LYS D 76 -9.397 -12.609 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS D 76 -8.631 -11.697 -2.400 1.00 0.00 H new ATOM 991 N ALA D 77 -7.461 -6.205 2.731 1.00 0.00 N ATOM 992 CA ALA D 77 -8.019 -4.944 3.161 1.00 0.00 C ATOM 993 C ALA D 77 -7.756 -3.849 2.149 1.00 0.00 C ATOM 994 O ALA D 77 -8.668 -3.204 1.671 1.00 0.00 O ATOM 995 CB ALA D 77 -7.461 -4.624 4.532 1.00 0.00 C ATOM 0 H ALA D 77 -6.723 -6.549 3.345 1.00 0.00 H new ATOM 0 HA ALA D 77 -9.104 -5.016 3.232 1.00 0.00 H new ATOM 0 HB1 ALA D 77 -7.869 -3.674 4.878 1.00 0.00 H new ATOM 0 HB2 ALA D 77 -7.737 -5.414 5.231 1.00 0.00 H new ATOM 0 HB3 ALA D 77 -6.375 -4.553 4.475 1.00 0.00 H new ATOM 1001 N ILE D 78 -6.499 -3.659 1.767 1.00 0.00 N ATOM 1002 CA ILE D 78 -6.068 -2.480 1.051 1.00 0.00 C ATOM 1003 C ILE D 78 -6.584 -2.456 -0.374 1.00 0.00 C ATOM 1004 O ILE D 78 -7.129 -1.439 -0.785 1.00 0.00 O ATOM 1005 CB ILE D 78 -4.578 -2.247 1.230 1.00 0.00 C ATOM 1006 CG1 ILE D 78 -4.214 -1.826 2.635 1.00 0.00 C ATOM 1007 CG2 ILE D 78 -4.019 -1.287 0.215 1.00 0.00 C ATOM 1008 CD1 ILE D 78 -4.538 -0.432 3.028 1.00 0.00 C ATOM 0 H ILE D 78 -5.750 -4.327 1.950 1.00 0.00 H new ATOM 0 HA ILE D 78 -6.534 -1.601 1.496 1.00 0.00 H new ATOM 0 HB ILE D 78 -4.110 -3.216 1.056 1.00 0.00 H new ATOM 0 HG12 ILE D 78 -4.716 -2.499 3.330 1.00 0.00 H new ATOM 0 HG13 ILE D 78 -3.142 -1.974 2.766 1.00 0.00 H new ATOM 0 HG21 ILE D 78 -2.951 -1.156 0.388 1.00 0.00 H new ATOM 0 HG22 ILE D 78 -4.178 -1.684 -0.788 1.00 0.00 H new ATOM 0 HG23 ILE D 78 -4.522 -0.325 0.308 1.00 0.00 H new ATOM 0 HD11 ILE D 78 -4.225 -0.262 4.058 1.00 0.00 H new ATOM 0 HD12 ILE D 78 -4.015 0.262 2.371 1.00 0.00 H new ATOM 0 HD13 ILE D 78 -5.613 -0.271 2.944 1.00 0.00 H new ATOM 1020 N ALA D 79 -6.599 -3.556 -1.116 1.00 0.00 N ATOM 1021 CA ALA D 79 -7.178 -3.545 -2.440 1.00 0.00 C ATOM 1022 C ALA D 79 -8.662 -3.230 -2.473 1.00 0.00 C ATOM 1023 O ALA D 79 -9.143 -2.634 -3.416 1.00 0.00 O ATOM 1024 CB ALA D 79 -6.860 -4.873 -3.109 1.00 0.00 C ATOM 0 H ALA D 79 -6.219 -4.456 -0.821 1.00 0.00 H new ATOM 0 HA ALA D 79 -6.728 -2.722 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA D 79 -7.288 -4.887 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA D 79 -5.779 -4.998 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA D 79 -7.285 -5.687 -2.522 1.00 0.00 H new ATOM 1030 N ALA D 80 -9.396 -3.528 -1.411 1.00 0.00 N ATOM 1031 CA ALA D 80 -10.774 -3.126 -1.246 1.00 0.00 C ATOM 1032 C ALA D 80 -10.897 -1.669 -0.843 1.00 0.00 C ATOM 1033 O ALA D 80 -11.719 -0.940 -1.358 1.00 0.00 O ATOM 1034 CB ALA D 80 -11.416 -4.043 -0.223 1.00 0.00 C ATOM 0 H ALA D 80 -9.036 -4.069 -0.625 1.00 0.00 H new ATOM 0 HA ALA D 80 -11.293 -3.216 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA D 80 -12.458 -3.758 -0.082 1.00 0.00 H new ATOM 0 HB2 ALA D 80 -11.366 -5.073 -0.576 1.00 0.00 H new ATOM 0 HB3 ALA D 80 -10.885 -3.958 0.725 1.00 0.00 H new ATOM 1040 N ILE D 81 -10.057 -1.218 0.078 1.00 0.00 N ATOM 1041 CA ILE D 81 -9.936 0.125 0.594 1.00 0.00 C ATOM 1042 C ILE D 81 -9.508 1.089 -0.496 1.00 0.00 C ATOM 1043 O ILE D 81 -10.028 2.191 -0.508 1.00 0.00 O ATOM 1044 CB ILE D 81 -9.047 0.152 1.825 1.00 0.00 C ATOM 1045 CG1 ILE D 81 -9.740 -0.452 3.036 1.00 0.00 C ATOM 1046 CG2 ILE D 81 -8.486 1.522 2.167 1.00 0.00 C ATOM 1047 CD1 ILE D 81 -8.790 -0.866 4.151 1.00 0.00 C ATOM 0 H ILE D 81 -9.385 -1.846 0.519 1.00 0.00 H new ATOM 0 HA ILE D 81 -10.915 0.471 0.926 1.00 0.00 H new ATOM 0 HB ILE D 81 -8.191 -0.468 1.556 1.00 0.00 H new ATOM 0 HG12 ILE D 81 -10.454 0.271 3.431 1.00 0.00 H new ATOM 0 HG13 ILE D 81 -10.312 -1.324 2.717 1.00 0.00 H new ATOM 0 HG21 ILE D 81 -7.864 1.448 3.059 1.00 0.00 H new ATOM 0 HG22 ILE D 81 -7.885 1.887 1.334 1.00 0.00 H new ATOM 0 HG23 ILE D 81 -9.306 2.215 2.354 1.00 0.00 H new ATOM 0 HD11 ILE D 81 -9.361 -1.287 4.978 1.00 0.00 H new ATOM 0 HD12 ILE D 81 -8.091 -1.613 3.775 1.00 0.00 H new ATOM 0 HD13 ILE D 81 -8.236 0.006 4.500 1.00 0.00 H new ATOM 1059 N ILE D 82 -8.648 0.705 -1.432 1.00 0.00 N ATOM 1060 CA ILE D 82 -8.273 1.476 -2.595 1.00 0.00 C ATOM 1061 C ILE D 82 -9.497 1.877 -3.399 1.00 0.00 C ATOM 1062 O ILE D 82 -9.702 3.051 -3.654 1.00 0.00 O ATOM 1063 CB ILE D 82 -7.285 0.683 -3.439 1.00 0.00 C ATOM 1064 CG1 ILE D 82 -5.942 0.757 -2.730 1.00 0.00 C ATOM 1065 CG2 ILE D 82 -7.122 1.181 -4.867 1.00 0.00 C ATOM 1066 CD1 ILE D 82 -4.768 0.079 -3.406 1.00 0.00 C ATOM 0 H ILE D 82 -8.174 -0.197 -1.392 1.00 0.00 H new ATOM 0 HA ILE D 82 -7.788 2.396 -2.270 1.00 0.00 H new ATOM 0 HB ILE D 82 -7.671 -0.332 -3.532 1.00 0.00 H new ATOM 0 HG12 ILE D 82 -5.691 1.808 -2.590 1.00 0.00 H new ATOM 0 HG13 ILE D 82 -6.059 0.322 -1.737 1.00 0.00 H new ATOM 0 HG21 ILE D 82 -6.399 0.555 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE D 82 -8.082 1.134 -5.381 1.00 0.00 H new ATOM 0 HG23 ILE D 82 -6.768 2.212 -4.855 1.00 0.00 H new ATOM 0 HD11 ILE D 82 -3.874 0.207 -2.796 1.00 0.00 H new ATOM 0 HD12 ILE D 82 -4.979 -0.984 -3.522 1.00 0.00 H new ATOM 0 HD13 ILE D 82 -4.605 0.526 -4.387 1.00 0.00 H new ATOM 1078 N LYS D 83 -10.318 0.900 -3.755 1.00 0.00 N ATOM 1079 CA LYS D 83 -11.528 1.021 -4.530 1.00 0.00 C ATOM 1080 C LYS D 83 -12.563 1.888 -3.846 1.00 0.00 C ATOM 1081 O LYS D 83 -13.211 2.705 -4.469 1.00 0.00 O ATOM 1082 CB LYS D 83 -12.060 -0.368 -4.817 1.00 0.00 C ATOM 1083 CG LYS D 83 -11.934 -0.771 -6.049 1.00 0.00 C ATOM 1084 CD LYS D 83 -12.308 -2.196 -6.340 1.00 0.00 C ATOM 1085 CE LYS D 83 -13.568 -2.581 -6.203 1.00 0.00 C ATOM 1086 NZ LYS D 83 -14.039 -3.254 -6.947 1.00 0.00 N ATOM 0 H LYS D 83 -10.135 -0.067 -3.486 1.00 0.00 H new ATOM 0 HA LYS D 83 -11.298 1.524 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS D 83 -11.547 -1.077 -4.167 1.00 0.00 H new ATOM 0 HB3 LYS D 83 -13.116 -0.397 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS D 83 -12.543 -0.125 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS D 83 -10.896 -0.625 -6.349 1.00 0.00 H new ATOM 0 HD2 LYS D 83 -12.012 -2.408 -7.367 1.00 0.00 H new ATOM 0 HD3 LYS D 83 -11.701 -2.831 -5.695 1.00 0.00 H new ATOM 0 HE2 LYS D 83 -13.650 -3.069 -5.232 1.00 0.00 H new ATOM 0 HE3 LYS D 83 -14.176 -1.678 -6.158 1.00 0.00 H new ATOM 0 HZ1 LYS D 83 -15.024 -3.442 -6.671 1.00 0.00 H new ATOM 0 HZ2 LYS D 83 -14.023 -2.802 -7.883 1.00 0.00 H new ATOM 0 HZ3 LYS D 83 -13.513 -4.150 -6.986 1.00 0.00 H new ATOM 1100 N ALA D 84 -12.693 1.728 -2.538 1.00 0.00 N ATOM 1101 CA ALA D 84 -13.668 2.429 -1.741 1.00 0.00 C ATOM 1102 C ALA D 84 -13.200 3.832 -1.411 1.00 0.00 C ATOM 1103 O ALA D 84 -13.976 4.754 -1.430 1.00 0.00 O ATOM 1104 CB ALA D 84 -13.923 1.647 -0.469 1.00 0.00 C ATOM 0 H ALA D 84 -12.108 1.092 -1.997 1.00 0.00 H new ATOM 0 HA ALA D 84 -14.592 2.516 -2.312 1.00 0.00 H new ATOM 0 HB1 ALA D 84 -14.660 2.172 0.139 1.00 0.00 H new ATOM 0 HB2 ALA D 84 -14.300 0.656 -0.721 1.00 0.00 H new ATOM 0 HB3 ALA D 84 -12.993 1.550 0.091 1.00 0.00 H new ATOM 1110 N GLY D 85 -11.920 4.045 -1.170 1.00 0.00 N ATOM 1111 CA GLY D 85 -11.249 5.308 -0.997 1.00 0.00 C ATOM 1112 C GLY D 85 -11.313 6.222 -2.198 1.00 0.00 C ATOM 1113 O GLY D 85 -11.544 7.411 -2.092 1.00 0.00 O ATOM 0 H GLY D 85 -11.270 3.264 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY D 85 -11.686 5.823 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY D 85 -10.203 5.119 -0.756 1.00 0.00 H new ATOM 1117 N GLY D 86 -11.187 5.637 -3.382 1.00 0.00 N ATOM 1118 CA GLY D 86 -11.105 6.363 -4.620 1.00 0.00 C ATOM 1119 C GLY D 86 -9.760 6.940 -4.938 1.00 0.00 C ATOM 1120 O GLY D 86 -9.694 8.078 -5.318 1.00 0.00 O ATOM 0 H GLY D 86 -11.139 4.625 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY D 86 -11.397 5.697 -5.432 1.00 0.00 H new ATOM 0 HA3 GLY D 86 -11.833 7.174 -4.595 1.00 0.00 H new ATOM 1124 N TYR D 87 -8.689 6.185 -4.749 1.00 0.00 N ATOM 1125 CA TYR D 87 -7.372 6.530 -5.177 1.00 0.00 C ATOM 1126 C TYR D 87 -7.342 6.796 -6.636 1.00 0.00 C ATOM 1127 O TYR D 87 -7.655 5.994 -7.438 1.00 0.00 O ATOM 1128 CB TYR D 87 -6.411 5.424 -4.805 1.00 0.00 C ATOM 1129 CG TYR D 87 -5.833 5.546 -3.424 1.00 0.00 C ATOM 1130 CD1 TYR D 87 -5.099 6.654 -3.003 1.00 0.00 C ATOM 1131 CD2 TYR D 87 -5.968 4.432 -2.604 1.00 0.00 C ATOM 1132 CE1 TYR D 87 -4.482 6.632 -1.751 1.00 0.00 C ATOM 1133 CE2 TYR D 87 -5.401 4.406 -1.330 1.00 0.00 C ATOM 1134 CZ TYR D 87 -4.641 5.513 -0.923 1.00 0.00 C ATOM 1135 OH TYR D 87 -4.201 5.564 0.361 1.00 0.00 O ATOM 0 H TYR D 87 -8.731 5.284 -4.274 1.00 0.00 H new ATOM 0 HA TYR D 87 -7.064 7.446 -4.672 1.00 0.00 H new ATOM 0 HB2 TYR D 87 -6.927 4.467 -4.887 1.00 0.00 H new ATOM 0 HB3 TYR D 87 -5.595 5.409 -5.528 1.00 0.00 H new ATOM 0 HD1 TYR D 87 -5.009 7.522 -3.640 1.00 0.00 H new ATOM 0 HD2 TYR D 87 -6.520 3.574 -2.958 1.00 0.00 H new ATOM 0 HE1 TYR D 87 -3.887 7.471 -1.423 1.00 0.00 H new ATOM 0 HE2 TYR D 87 -5.543 3.558 -0.676 1.00 0.00 H new ATOM 0 HH TYR D 87 -4.862 6.029 0.915 1.00 0.00 H new HETATM 1145 N NH2 D 88 -6.963 7.951 -7.034 1.00 0.00 N TER 1148 NH2 D 88