USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 409 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 1 MET CE :methyl -168:sc= -1.58 (180deg=-2.14!) USER MOD Single : A 1 MET N :NH3+ 140:sc= -0.569 (180deg=-2.71!) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -10.1! (180deg=-13.6!) USER MOD Single : A 18 ASN : amide:sc= -7.19! C(o=-7.2!,f=-5.5!) USER MOD Single : A 25 GLN : amide:sc= -0.271 K(o=-0.27,f=-2.3!) USER MOD Single : A 31 LYS NZ :NH3+ 155:sc= -0.18 (180deg=-0.916) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -1.95! C(o=-1.9!,f=-6.8!) USER MOD Single : A 39 THR OG1 : rot 78:sc= -13.3! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 170:sc= -2.15! USER MOD Single : A 53 THR OG1 : rot 123:sc= -2.89! USER MOD Single : A 57 SER OG : rot -171:sc= -0.966 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.535 5.710 10.481 1.00 0.00 N ATOM 2 CA MET A 1 19.661 5.829 11.683 1.00 0.00 C ATOM 3 C MET A 1 18.237 5.922 11.259 1.00 0.00 C ATOM 4 O MET A 1 17.579 6.924 11.448 1.00 0.00 O ATOM 5 CB MET A 1 19.965 7.096 12.408 1.00 0.00 C ATOM 6 CG MET A 1 19.983 8.274 11.430 1.00 0.00 C ATOM 7 SD MET A 1 21.348 9.386 11.847 1.00 0.00 S ATOM 8 CE MET A 1 20.543 10.226 13.233 1.00 0.00 C ATOM 0 H1 MET A 1 21.393 6.282 10.618 1.00 0.00 H new ATOM 0 H2 MET A 1 20.801 4.714 10.342 1.00 0.00 H new ATOM 0 H3 MET A 1 20.022 6.051 9.643 1.00 0.00 H new ATOM 0 HA MET A 1 19.835 4.959 12.315 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.218 7.268 13.183 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.930 7.015 12.908 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.096 7.910 10.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.036 8.812 11.474 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.124 11.105 13.513 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.539 10.533 12.939 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.480 9.547 14.083 1.00 0.00 H new ATOM 20 N LYS A 2 17.789 4.956 10.590 1.00 0.00 N ATOM 21 CA LYS A 2 16.431 5.094 10.049 1.00 0.00 C ATOM 22 C LYS A 2 15.836 3.777 9.538 1.00 0.00 C ATOM 23 O LYS A 2 15.147 3.757 8.538 1.00 0.00 O ATOM 24 CB LYS A 2 16.594 6.039 8.902 1.00 0.00 C ATOM 25 CG LYS A 2 15.575 7.162 8.993 1.00 0.00 C ATOM 26 CD LYS A 2 16.216 8.434 8.438 1.00 0.00 C ATOM 27 CE LYS A 2 17.041 9.105 9.540 1.00 0.00 C ATOM 28 NZ LYS A 2 16.980 10.584 9.372 1.00 0.00 N ATOM 0 H LYS A 2 18.277 4.084 10.385 1.00 0.00 H new ATOM 0 HA LYS A 2 15.746 5.435 10.826 1.00 0.00 H new ATOM 0 HB2 LYS A 2 17.602 6.453 8.904 1.00 0.00 H new ATOM 0 HB3 LYS A 2 16.471 5.503 7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 2 14.679 6.909 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 2 15.266 7.312 10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 2 16.852 8.193 7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 2 15.446 9.116 8.077 1.00 0.00 H new ATOM 0 HE2 LYS A 2 16.657 8.823 10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.076 8.765 9.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.117 11.044 10.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.728 10.890 8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 16.052 10.852 8.986 1.00 0.00 H new ATOM 42 N VAL A 3 16.079 2.683 10.195 1.00 0.00 N ATOM 43 CA VAL A 3 15.498 1.399 9.706 1.00 0.00 C ATOM 44 C VAL A 3 14.105 1.219 10.308 1.00 0.00 C ATOM 45 O VAL A 3 13.291 0.471 9.803 1.00 0.00 O ATOM 46 CB VAL A 3 16.399 0.232 10.103 1.00 0.00 C ATOM 47 CG1 VAL A 3 15.690 -1.089 9.802 1.00 0.00 C ATOM 48 CG2 VAL A 3 17.705 0.304 9.309 1.00 0.00 C ATOM 0 H VAL A 3 16.647 2.617 11.040 1.00 0.00 H new ATOM 0 HA VAL A 3 15.423 1.423 8.619 1.00 0.00 H new ATOM 0 HB VAL A 3 16.618 0.289 11.169 1.00 0.00 H new ATOM 0 HG11 VAL A 3 16.335 -1.921 10.086 1.00 0.00 H new ATOM 0 HG12 VAL A 3 14.760 -1.140 10.369 1.00 0.00 H new ATOM 0 HG13 VAL A 3 15.469 -1.149 8.736 1.00 0.00 H new ATOM 0 HG21 VAL A 3 18.349 -0.529 9.592 1.00 0.00 H new ATOM 0 HG22 VAL A 3 17.486 0.248 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 3 18.212 1.244 9.526 1.00 0.00 H new ATOM 58 N ARG A 4 13.818 1.915 11.372 1.00 0.00 N ATOM 59 CA ARG A 4 12.482 1.812 11.996 1.00 0.00 C ATOM 60 C ARG A 4 11.601 2.911 11.396 1.00 0.00 C ATOM 61 O ARG A 4 11.683 4.063 11.774 1.00 0.00 O ATOM 62 CB ARG A 4 12.644 1.993 13.512 1.00 0.00 C ATOM 63 CG ARG A 4 11.348 2.496 14.145 1.00 0.00 C ATOM 64 CD ARG A 4 10.346 1.344 14.253 1.00 0.00 C ATOM 65 NE ARG A 4 9.956 0.894 12.887 1.00 0.00 N ATOM 66 CZ ARG A 4 10.200 -0.331 12.508 1.00 0.00 C ATOM 67 NH1 ARG A 4 11.277 -0.940 12.926 1.00 0.00 N ATOM 68 NH2 ARG A 4 9.372 -0.944 11.708 1.00 0.00 N ATOM 0 H ARG A 4 14.462 2.555 11.836 1.00 0.00 H new ATOM 0 HA ARG A 4 12.018 0.843 11.811 1.00 0.00 H new ATOM 0 HB2 ARG A 4 12.931 1.045 13.966 1.00 0.00 H new ATOM 0 HB3 ARG A 4 13.449 2.699 13.713 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.551 2.908 15.133 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.927 3.302 13.544 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.786 0.516 14.808 1.00 0.00 H new ATOM 0 HD3 ARG A 4 9.464 1.666 14.807 1.00 0.00 H new ATOM 0 HE ARG A 4 9.498 1.544 12.248 1.00 0.00 H new ATOM 0 HH11 ARG A 4 11.926 -0.458 13.548 1.00 0.00 H new ATOM 0 HH12 ARG A 4 11.469 -1.897 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 4 8.533 -0.466 11.378 1.00 0.00 H new ATOM 0 HH22 ARG A 4 9.563 -1.901 11.412 1.00 0.00 H new ATOM 82 N VAL A 5 10.776 2.570 10.444 1.00 0.00 N ATOM 83 CA VAL A 5 9.910 3.600 9.804 1.00 0.00 C ATOM 84 C VAL A 5 8.570 3.687 10.534 1.00 0.00 C ATOM 85 O VAL A 5 7.789 2.756 10.530 1.00 0.00 O ATOM 86 CB VAL A 5 9.669 3.219 8.343 1.00 0.00 C ATOM 87 CG1 VAL A 5 11.006 2.904 7.670 1.00 0.00 C ATOM 88 CG2 VAL A 5 8.766 1.985 8.281 1.00 0.00 C ATOM 0 H VAL A 5 10.664 1.623 10.082 1.00 0.00 H new ATOM 0 HA VAL A 5 10.407 4.569 9.857 1.00 0.00 H new ATOM 0 HB VAL A 5 9.188 4.050 7.826 1.00 0.00 H new ATOM 0 HG11 VAL A 5 10.834 2.632 6.628 1.00 0.00 H new ATOM 0 HG12 VAL A 5 11.651 3.781 7.714 1.00 0.00 H new ATOM 0 HG13 VAL A 5 11.487 2.073 8.187 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.593 1.712 7.240 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.248 1.155 8.798 1.00 0.00 H new ATOM 0 HG23 VAL A 5 7.813 2.207 8.761 1.00 0.00 H new ATOM 98 N ASP A 6 8.296 4.799 11.159 1.00 0.00 N ATOM 99 CA ASP A 6 7.003 4.944 11.883 1.00 0.00 C ATOM 100 C ASP A 6 6.060 5.836 11.068 1.00 0.00 C ATOM 101 O ASP A 6 6.192 7.044 11.051 1.00 0.00 O ATOM 102 CB ASP A 6 7.261 5.576 13.249 1.00 0.00 C ATOM 103 CG ASP A 6 6.093 5.260 14.185 1.00 0.00 C ATOM 104 OD1 ASP A 6 5.037 4.909 13.685 1.00 0.00 O ATOM 105 OD2 ASP A 6 6.274 5.374 15.386 1.00 0.00 O ATOM 0 H ASP A 6 8.911 5.612 11.199 1.00 0.00 H new ATOM 0 HA ASP A 6 6.543 3.965 12.018 1.00 0.00 H new ATOM 0 HB2 ASP A 6 8.191 5.194 13.669 1.00 0.00 H new ATOM 0 HB3 ASP A 6 7.377 6.655 13.146 1.00 0.00 H new ATOM 110 N ALA A 7 5.116 5.246 10.384 1.00 0.00 N ATOM 111 CA ALA A 7 4.168 6.045 9.559 1.00 0.00 C ATOM 112 C ALA A 7 2.992 6.520 10.414 1.00 0.00 C ATOM 113 O ALA A 7 2.801 7.699 10.631 1.00 0.00 O ATOM 114 CB ALA A 7 3.633 5.159 8.439 1.00 0.00 C ATOM 0 H ALA A 7 4.961 4.238 10.362 1.00 0.00 H new ATOM 0 HA ALA A 7 4.687 6.913 9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.936 5.730 7.825 1.00 0.00 H new ATOM 0 HB2 ALA A 7 4.462 4.813 7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.118 4.300 8.869 1.00 0.00 H new ATOM 120 N ASP A 8 2.204 5.602 10.895 1.00 0.00 N ATOM 121 CA ASP A 8 1.035 5.976 11.732 1.00 0.00 C ATOM 122 C ASP A 8 1.458 7.024 12.753 1.00 0.00 C ATOM 123 O ASP A 8 0.661 7.814 13.219 1.00 0.00 O ATOM 124 CB ASP A 8 0.527 4.738 12.464 1.00 0.00 C ATOM 125 CG ASP A 8 1.714 3.868 12.880 1.00 0.00 C ATOM 126 OD1 ASP A 8 2.456 4.290 13.752 1.00 0.00 O ATOM 127 OD2 ASP A 8 1.862 2.794 12.319 1.00 0.00 O ATOM 0 H ASP A 8 2.322 4.600 10.742 1.00 0.00 H new ATOM 0 HA ASP A 8 0.246 6.381 11.099 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.047 5.032 13.342 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.145 4.171 11.819 1.00 0.00 H new ATOM 132 N ALA A 9 2.705 7.027 13.110 1.00 0.00 N ATOM 133 CA ALA A 9 3.188 8.012 14.108 1.00 0.00 C ATOM 134 C ALA A 9 3.403 9.370 13.435 1.00 0.00 C ATOM 135 O ALA A 9 3.037 10.399 13.969 1.00 0.00 O ATOM 136 CB ALA A 9 4.505 7.512 14.692 1.00 0.00 C ATOM 0 H ALA A 9 3.414 6.387 12.753 1.00 0.00 H new ATOM 0 HA ALA A 9 2.450 8.126 14.902 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.872 8.228 15.428 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.347 6.546 15.172 1.00 0.00 H new ATOM 0 HB3 ALA A 9 5.239 7.404 13.894 1.00 0.00 H new ATOM 142 N CYS A 10 3.991 9.386 12.271 1.00 0.00 N ATOM 143 CA CYS A 10 4.223 10.685 11.578 1.00 0.00 C ATOM 144 C CYS A 10 2.923 11.486 11.542 1.00 0.00 C ATOM 145 O CYS A 10 1.842 10.934 11.585 1.00 0.00 O ATOM 146 CB CYS A 10 4.708 10.434 10.152 1.00 0.00 C ATOM 147 SG CYS A 10 4.775 12.011 9.269 1.00 0.00 S ATOM 0 H CYS A 10 4.320 8.560 11.771 1.00 0.00 H new ATOM 0 HA CYS A 10 4.982 11.248 12.120 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.693 9.968 10.166 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.036 9.744 9.641 1.00 0.00 H new ATOM 152 N ILE A 11 3.016 12.787 11.466 1.00 0.00 N ATOM 153 CA ILE A 11 1.776 13.614 11.431 1.00 0.00 C ATOM 154 C ILE A 11 1.975 14.812 10.498 1.00 0.00 C ATOM 155 O ILE A 11 1.525 15.904 10.780 1.00 0.00 O ATOM 156 CB ILE A 11 1.460 14.115 12.840 1.00 0.00 C ATOM 157 CG1 ILE A 11 2.736 14.664 13.483 1.00 0.00 C ATOM 158 CG2 ILE A 11 0.922 12.958 13.684 1.00 0.00 C ATOM 159 CD1 ILE A 11 2.366 15.625 14.615 1.00 0.00 C ATOM 0 H ILE A 11 3.891 13.310 11.427 1.00 0.00 H new ATOM 0 HA ILE A 11 0.950 13.006 11.063 1.00 0.00 H new ATOM 0 HB ILE A 11 0.710 14.905 12.786 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.342 13.845 13.871 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.339 15.180 12.736 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.697 13.315 14.689 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.014 12.565 13.226 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.672 12.169 13.739 1.00 0.00 H new ATOM 0 HD11 ILE A 11 3.275 16.016 15.072 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.778 16.451 14.214 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.781 15.094 15.366 1.00 0.00 H new ATOM 171 N GLY A 12 2.641 14.609 9.388 1.00 0.00 N ATOM 172 CA GLY A 12 2.875 15.725 8.423 1.00 0.00 C ATOM 173 C GLY A 12 3.124 17.023 9.191 1.00 0.00 C ATOM 174 O GLY A 12 2.467 18.022 8.969 1.00 0.00 O ATOM 0 H GLY A 12 3.035 13.711 9.108 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.731 15.497 7.788 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.012 15.839 7.767 1.00 0.00 H new ATOM 178 N CYS A 13 4.054 17.016 10.106 1.00 0.00 N ATOM 179 CA CYS A 13 4.321 18.248 10.893 1.00 0.00 C ATOM 180 C CYS A 13 5.285 19.165 10.129 1.00 0.00 C ATOM 181 O CYS A 13 5.059 20.354 10.017 1.00 0.00 O ATOM 182 CB CYS A 13 4.883 17.861 12.271 1.00 0.00 C ATOM 183 SG CYS A 13 6.666 17.565 12.184 1.00 0.00 S ATOM 0 H CYS A 13 4.637 16.213 10.341 1.00 0.00 H new ATOM 0 HA CYS A 13 3.392 18.799 11.043 1.00 0.00 H new ATOM 0 HB2 CYS A 13 4.677 18.656 12.988 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.379 16.965 12.635 1.00 0.00 H new ATOM 188 N GLY A 14 6.349 18.633 9.590 1.00 0.00 N ATOM 189 CA GLY A 14 7.300 19.488 8.829 1.00 0.00 C ATOM 190 C GLY A 14 8.606 19.626 9.602 1.00 0.00 C ATOM 191 O GLY A 14 9.166 20.699 9.710 1.00 0.00 O ATOM 0 H GLY A 14 6.599 17.646 9.644 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.492 19.051 7.849 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.862 20.472 8.659 1.00 0.00 H new ATOM 195 N VAL A 15 9.100 18.548 10.136 1.00 0.00 N ATOM 196 CA VAL A 15 10.377 18.620 10.893 1.00 0.00 C ATOM 197 C VAL A 15 11.485 17.924 10.079 1.00 0.00 C ATOM 198 O VAL A 15 12.647 17.973 10.428 1.00 0.00 O ATOM 199 CB VAL A 15 10.191 17.969 12.280 1.00 0.00 C ATOM 200 CG1 VAL A 15 11.423 17.145 12.676 1.00 0.00 C ATOM 201 CG2 VAL A 15 9.979 19.073 13.320 1.00 0.00 C ATOM 0 H VAL A 15 8.676 17.622 10.082 1.00 0.00 H new ATOM 0 HA VAL A 15 10.671 19.658 11.049 1.00 0.00 H new ATOM 0 HB VAL A 15 9.329 17.304 12.238 1.00 0.00 H new ATOM 0 HG11 VAL A 15 11.262 16.699 13.657 1.00 0.00 H new ATOM 0 HG12 VAL A 15 11.585 16.356 11.941 1.00 0.00 H new ATOM 0 HG13 VAL A 15 12.298 17.793 12.711 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.846 18.625 14.305 1.00 0.00 H new ATOM 0 HG22 VAL A 15 10.848 19.731 13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.091 19.651 13.062 1.00 0.00 H new ATOM 211 N CYS A 16 11.133 17.280 8.994 1.00 0.00 N ATOM 212 CA CYS A 16 12.169 16.594 8.161 1.00 0.00 C ATOM 213 C CYS A 16 12.455 17.430 6.909 1.00 0.00 C ATOM 214 O CYS A 16 13.600 17.650 6.542 1.00 0.00 O ATOM 215 CB CYS A 16 11.675 15.198 7.746 1.00 0.00 C ATOM 216 SG CYS A 16 9.945 15.265 7.221 1.00 0.00 S ATOM 0 H CYS A 16 10.176 17.200 8.650 1.00 0.00 H new ATOM 0 HA CYS A 16 13.082 16.488 8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 16 12.293 14.814 6.934 1.00 0.00 H new ATOM 0 HB3 CYS A 16 11.781 14.506 8.581 1.00 0.00 H new ATOM 221 N GLU A 17 11.429 17.903 6.255 1.00 0.00 N ATOM 222 CA GLU A 17 11.644 18.731 5.037 1.00 0.00 C ATOM 223 C GLU A 17 12.640 19.839 5.372 1.00 0.00 C ATOM 224 O GLU A 17 13.604 20.058 4.667 1.00 0.00 O ATOM 225 CB GLU A 17 10.318 19.352 4.594 1.00 0.00 C ATOM 226 CG GLU A 17 9.218 18.289 4.634 1.00 0.00 C ATOM 227 CD GLU A 17 8.480 18.268 3.295 1.00 0.00 C ATOM 228 OE1 GLU A 17 9.101 18.582 2.293 1.00 0.00 O ATOM 229 OE2 GLU A 17 7.305 17.939 3.293 1.00 0.00 O ATOM 0 H GLU A 17 10.454 17.752 6.512 1.00 0.00 H new ATOM 0 HA GLU A 17 12.032 18.110 4.229 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.058 20.185 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.412 19.756 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.651 17.310 4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.520 18.503 5.443 1.00 0.00 H new ATOM 236 N ASN A 18 12.421 20.532 6.457 1.00 0.00 N ATOM 237 CA ASN A 18 13.362 21.613 6.849 1.00 0.00 C ATOM 238 C ASN A 18 14.737 20.996 7.092 1.00 0.00 C ATOM 239 O ASN A 18 15.750 21.507 6.657 1.00 0.00 O ATOM 240 CB ASN A 18 12.867 22.287 8.134 1.00 0.00 C ATOM 241 CG ASN A 18 13.129 21.378 9.336 1.00 0.00 C ATOM 242 OD1 ASN A 18 14.215 21.375 9.880 1.00 0.00 O ATOM 243 ND2 ASN A 18 12.179 20.603 9.783 1.00 0.00 N ATOM 0 H ASN A 18 11.631 20.394 7.087 1.00 0.00 H new ATOM 0 HA ASN A 18 13.422 22.360 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 18 13.374 23.242 8.272 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.801 22.501 8.055 1.00 0.00 H new ATOM 0 HD21 ASN A 18 12.350 19.998 10.586 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.265 20.602 9.329 1.00 0.00 H new ATOM 250 N LEU A 19 14.773 19.893 7.786 1.00 0.00 N ATOM 251 CA LEU A 19 16.067 19.228 8.064 1.00 0.00 C ATOM 252 C LEU A 19 16.886 19.126 6.786 1.00 0.00 C ATOM 253 O LEU A 19 17.751 19.935 6.515 1.00 0.00 O ATOM 254 CB LEU A 19 15.821 17.825 8.569 1.00 0.00 C ATOM 255 CG LEU A 19 15.699 17.811 10.088 1.00 0.00 C ATOM 256 CD1 LEU A 19 15.863 16.375 10.551 1.00 0.00 C ATOM 257 CD2 LEU A 19 16.798 18.657 10.735 1.00 0.00 C ATOM 0 H LEU A 19 13.954 19.424 8.173 1.00 0.00 H new ATOM 0 HA LEU A 19 16.603 19.816 8.810 1.00 0.00 H new ATOM 0 HB2 LEU A 19 14.909 17.427 8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 19 16.638 17.173 8.259 1.00 0.00 H new ATOM 0 HG LEU A 19 14.731 18.221 10.375 1.00 0.00 H new ATOM 0 HD11 LEU A 19 15.781 16.331 11.637 1.00 0.00 H new ATOM 0 HD12 LEU A 19 15.085 15.757 10.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 16.842 16.004 10.246 1.00 0.00 H new ATOM 0 HD21 LEU A 19 16.687 18.630 11.819 1.00 0.00 H new ATOM 0 HD22 LEU A 19 17.774 18.258 10.460 1.00 0.00 H new ATOM 0 HD23 LEU A 19 16.716 19.687 10.388 1.00 0.00 H new ATOM 269 N CYS A 20 16.637 18.104 6.016 1.00 0.00 N ATOM 270 CA CYS A 20 17.403 17.899 4.788 1.00 0.00 C ATOM 271 C CYS A 20 16.554 17.079 3.790 1.00 0.00 C ATOM 272 O CYS A 20 15.860 16.157 4.169 1.00 0.00 O ATOM 273 CB CYS A 20 18.678 17.143 5.143 1.00 0.00 C ATOM 274 SG CYS A 20 20.088 18.285 5.146 1.00 0.00 S ATOM 0 H CYS A 20 15.922 17.400 6.201 1.00 0.00 H new ATOM 0 HA CYS A 20 17.658 18.854 4.328 1.00 0.00 H new ATOM 0 HB2 CYS A 20 18.574 16.676 6.122 1.00 0.00 H new ATOM 0 HB3 CYS A 20 18.849 16.342 4.424 1.00 0.00 H new ATOM 279 N PRO A 21 16.656 17.448 2.552 1.00 0.00 N ATOM 280 CA PRO A 21 15.945 16.795 1.423 1.00 0.00 C ATOM 281 C PRO A 21 16.506 15.396 1.137 1.00 0.00 C ATOM 282 O PRO A 21 15.910 14.613 0.424 1.00 0.00 O ATOM 283 CB PRO A 21 16.265 17.717 0.243 1.00 0.00 C ATOM 284 CG PRO A 21 17.562 18.457 0.644 1.00 0.00 C ATOM 285 CD PRO A 21 17.512 18.560 2.158 1.00 0.00 C ATOM 0 HA PRO A 21 14.881 16.664 1.622 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.405 17.147 -0.675 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.452 18.419 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.445 17.909 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.610 19.444 0.184 1.00 0.00 H new ATOM 0 HD2 PRO A 21 18.506 18.476 2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 21 17.100 19.516 2.481 1.00 0.00 H new ATOM 293 N ASP A 22 17.662 15.089 1.654 1.00 0.00 N ATOM 294 CA ASP A 22 18.277 13.760 1.380 1.00 0.00 C ATOM 295 C ASP A 22 17.416 12.635 1.935 1.00 0.00 C ATOM 296 O ASP A 22 16.998 11.744 1.223 1.00 0.00 O ATOM 297 CB ASP A 22 19.660 13.698 2.030 1.00 0.00 C ATOM 298 CG ASP A 22 20.735 13.913 0.964 1.00 0.00 C ATOM 299 OD1 ASP A 22 20.530 13.472 -0.154 1.00 0.00 O ATOM 300 OD2 ASP A 22 21.747 14.515 1.285 1.00 0.00 O ATOM 0 H ASP A 22 18.210 15.703 2.257 1.00 0.00 H new ATOM 0 HA ASP A 22 18.360 13.636 0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 22 19.744 14.460 2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 22 19.802 12.733 2.516 1.00 0.00 H new ATOM 305 N VAL A 23 17.200 12.638 3.207 1.00 0.00 N ATOM 306 CA VAL A 23 16.424 11.545 3.838 1.00 0.00 C ATOM 307 C VAL A 23 15.212 12.087 4.580 1.00 0.00 C ATOM 308 O VAL A 23 14.225 11.401 4.758 1.00 0.00 O ATOM 309 CB VAL A 23 17.369 10.882 4.812 1.00 0.00 C ATOM 310 CG1 VAL A 23 17.974 11.960 5.680 1.00 0.00 C ATOM 311 CG2 VAL A 23 16.654 9.842 5.686 1.00 0.00 C ATOM 0 H VAL A 23 17.530 13.359 3.849 1.00 0.00 H new ATOM 0 HA VAL A 23 16.050 10.849 3.087 1.00 0.00 H new ATOM 0 HB VAL A 23 18.141 10.351 4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 23 18.662 11.508 6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 23 18.515 12.670 5.054 1.00 0.00 H new ATOM 0 HG13 VAL A 23 17.182 12.481 6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 23 17.370 9.389 6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.863 10.328 6.256 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.221 9.069 5.051 1.00 0.00 H new ATOM 321 N PHE A 24 15.274 13.301 5.027 1.00 0.00 N ATOM 322 CA PHE A 24 14.119 13.857 5.769 1.00 0.00 C ATOM 323 C PHE A 24 13.177 14.577 4.803 1.00 0.00 C ATOM 324 O PHE A 24 12.791 15.707 5.027 1.00 0.00 O ATOM 325 CB PHE A 24 14.609 14.844 6.827 1.00 0.00 C ATOM 326 CG PHE A 24 15.991 14.474 7.302 1.00 0.00 C ATOM 327 CD1 PHE A 24 17.123 14.972 6.642 1.00 0.00 C ATOM 328 CD2 PHE A 24 16.155 13.668 8.439 1.00 0.00 C ATOM 329 CE1 PHE A 24 18.377 14.663 7.108 1.00 0.00 C ATOM 330 CE2 PHE A 24 17.418 13.376 8.897 1.00 0.00 C ATOM 331 CZ PHE A 24 18.527 13.877 8.228 1.00 0.00 C ATOM 0 H PHE A 24 16.069 13.930 4.913 1.00 0.00 H new ATOM 0 HA PHE A 24 13.585 13.040 6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 24 14.619 15.853 6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 24 13.919 14.852 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 24 17.009 15.597 5.769 1.00 0.00 H new ATOM 0 HD2 PHE A 24 15.290 13.277 8.954 1.00 0.00 H new ATOM 0 HE1 PHE A 24 19.249 15.038 6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 24 17.547 12.759 9.774 1.00 0.00 H new ATOM 0 HZ PHE A 24 19.518 13.647 8.590 1.00 0.00 H new ATOM 341 N GLN A 25 12.799 13.936 3.733 1.00 0.00 N ATOM 342 CA GLN A 25 11.879 14.590 2.766 1.00 0.00 C ATOM 343 C GLN A 25 11.009 13.533 2.084 1.00 0.00 C ATOM 344 O GLN A 25 11.492 12.699 1.343 1.00 0.00 O ATOM 345 CB GLN A 25 12.702 15.331 1.716 1.00 0.00 C ATOM 346 CG GLN A 25 12.458 16.835 1.853 1.00 0.00 C ATOM 347 CD GLN A 25 12.369 17.467 0.463 1.00 0.00 C ATOM 348 OE1 GLN A 25 12.729 16.853 -0.521 1.00 0.00 O ATOM 349 NE2 GLN A 25 11.899 18.679 0.340 1.00 0.00 N ATOM 0 H GLN A 25 13.088 12.989 3.488 1.00 0.00 H new ATOM 0 HA GLN A 25 11.236 15.294 3.293 1.00 0.00 H new ATOM 0 HB2 GLN A 25 13.761 15.109 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 25 12.425 14.995 0.717 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.536 17.016 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 25 13.266 17.295 2.422 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.597 19.195 1.166 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.834 19.110 -0.582 1.00 0.00 H new ATOM 358 N LEU A 26 9.727 13.561 2.329 1.00 0.00 N ATOM 359 CA LEU A 26 8.824 12.560 1.696 1.00 0.00 C ATOM 360 C LEU A 26 7.529 13.248 1.257 1.00 0.00 C ATOM 361 O LEU A 26 7.351 13.572 0.099 1.00 0.00 O ATOM 362 CB LEU A 26 8.502 11.454 2.703 1.00 0.00 C ATOM 363 CG LEU A 26 8.861 10.095 2.101 1.00 0.00 C ATOM 364 CD1 LEU A 26 8.118 9.911 0.777 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.370 10.032 1.851 1.00 0.00 C ATOM 0 H LEU A 26 9.266 14.235 2.941 1.00 0.00 H new ATOM 0 HA LEU A 26 9.316 12.124 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.060 11.614 3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.444 11.481 2.962 1.00 0.00 H new ATOM 0 HG LEU A 26 8.572 9.303 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.374 8.942 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.043 9.957 0.953 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.407 10.702 0.085 1.00 0.00 H new ATOM 0 HD21 LEU A 26 10.628 9.064 1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.658 10.824 1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.901 10.164 2.794 1.00 0.00 H new ATOM 377 N GLY A 27 6.626 13.476 2.173 1.00 0.00 N ATOM 378 CA GLY A 27 5.344 14.145 1.814 1.00 0.00 C ATOM 379 C GLY A 27 4.824 13.586 0.488 1.00 0.00 C ATOM 380 O GLY A 27 4.256 14.299 -0.317 1.00 0.00 O ATOM 0 H GLY A 27 6.722 13.227 3.157 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.607 13.986 2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.495 15.221 1.732 1.00 0.00 H new ATOM 384 N ASP A 28 5.016 12.317 0.252 1.00 0.00 N ATOM 385 CA ASP A 28 4.534 11.716 -1.023 1.00 0.00 C ATOM 386 C ASP A 28 3.032 11.968 -1.171 1.00 0.00 C ATOM 387 O ASP A 28 2.596 12.664 -2.067 1.00 0.00 O ATOM 388 CB ASP A 28 4.799 10.210 -1.007 1.00 0.00 C ATOM 389 CG ASP A 28 6.055 9.903 -1.826 1.00 0.00 C ATOM 390 OD1 ASP A 28 7.051 10.577 -1.620 1.00 0.00 O ATOM 391 OD2 ASP A 28 5.999 9.000 -2.645 1.00 0.00 O ATOM 0 H ASP A 28 5.485 11.671 0.887 1.00 0.00 H new ATOM 0 HA ASP A 28 5.062 12.170 -1.862 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.927 9.864 0.019 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.943 9.675 -1.419 1.00 0.00 H new ATOM 396 N ASP A 29 2.237 11.409 -0.301 1.00 0.00 N ATOM 397 CA ASP A 29 0.773 11.613 -0.391 1.00 0.00 C ATOM 398 C ASP A 29 0.246 12.156 0.939 1.00 0.00 C ATOM 399 O ASP A 29 -0.864 11.868 1.341 1.00 0.00 O ATOM 400 CB ASP A 29 0.089 10.282 -0.708 1.00 0.00 C ATOM 401 CG ASP A 29 0.436 9.259 0.376 1.00 0.00 C ATOM 402 OD1 ASP A 29 0.917 9.671 1.419 1.00 0.00 O ATOM 403 OD2 ASP A 29 0.215 8.082 0.144 1.00 0.00 O ATOM 0 H ASP A 29 2.545 10.817 0.471 1.00 0.00 H new ATOM 0 HA ASP A 29 0.557 12.329 -1.184 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.991 10.419 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.412 9.918 -1.683 1.00 0.00 H new ATOM 408 N GLY A 30 1.032 12.940 1.625 1.00 0.00 N ATOM 409 CA GLY A 30 0.573 13.500 2.928 1.00 0.00 C ATOM 410 C GLY A 30 1.384 12.881 4.067 1.00 0.00 C ATOM 411 O GLY A 30 1.593 13.492 5.096 1.00 0.00 O ATOM 0 H GLY A 30 1.971 13.217 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.691 14.584 2.931 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.488 13.294 3.070 1.00 0.00 H new ATOM 415 N LYS A 31 1.845 11.672 3.891 1.00 0.00 N ATOM 416 CA LYS A 31 2.643 11.016 4.965 1.00 0.00 C ATOM 417 C LYS A 31 4.114 11.404 4.810 1.00 0.00 C ATOM 418 O LYS A 31 4.661 11.378 3.726 1.00 0.00 O ATOM 419 CB LYS A 31 2.502 9.497 4.852 1.00 0.00 C ATOM 420 CG LYS A 31 3.252 8.827 6.006 1.00 0.00 C ATOM 421 CD LYS A 31 4.040 7.628 5.477 1.00 0.00 C ATOM 422 CE LYS A 31 3.110 6.421 5.350 1.00 0.00 C ATOM 423 NZ LYS A 31 2.386 6.486 4.050 1.00 0.00 N ATOM 0 H LYS A 31 1.703 11.111 3.051 1.00 0.00 H new ATOM 0 HA LYS A 31 2.279 11.341 5.940 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.449 9.216 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.901 9.154 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.928 9.541 6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.547 8.503 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.478 7.866 4.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.865 7.396 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.685 5.497 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.398 6.409 6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.101 5.528 3.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.540 7.082 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.010 6.893 3.325 1.00 0.00 H new ATOM 437 N ALA A 32 4.759 11.763 5.886 1.00 0.00 N ATOM 438 CA ALA A 32 6.194 12.152 5.792 1.00 0.00 C ATOM 439 C ALA A 32 7.068 11.031 6.358 1.00 0.00 C ATOM 440 O ALA A 32 7.546 11.104 7.470 1.00 0.00 O ATOM 441 CB ALA A 32 6.431 13.437 6.591 1.00 0.00 C ATOM 0 H ALA A 32 4.356 11.804 6.822 1.00 0.00 H new ATOM 0 HA ALA A 32 6.454 12.321 4.747 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.481 13.720 6.521 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.812 14.237 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.169 13.269 7.636 1.00 0.00 H new ATOM 447 N LYS A 33 7.283 9.993 5.597 1.00 0.00 N ATOM 448 CA LYS A 33 8.133 8.873 6.090 1.00 0.00 C ATOM 449 C LYS A 33 9.569 9.091 5.614 1.00 0.00 C ATOM 450 O LYS A 33 9.823 9.898 4.742 1.00 0.00 O ATOM 451 CB LYS A 33 7.607 7.548 5.532 1.00 0.00 C ATOM 452 CG LYS A 33 7.942 6.415 6.504 1.00 0.00 C ATOM 453 CD LYS A 33 8.441 5.201 5.718 1.00 0.00 C ATOM 454 CE LYS A 33 7.446 4.049 5.871 1.00 0.00 C ATOM 455 NZ LYS A 33 6.463 4.089 4.751 1.00 0.00 N ATOM 0 H LYS A 33 6.907 9.872 4.656 1.00 0.00 H new ATOM 0 HA LYS A 33 8.105 8.842 7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.529 7.607 5.383 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.053 7.349 4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.704 6.742 7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.060 6.148 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.556 5.459 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.423 4.898 6.081 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.974 3.096 5.871 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.928 4.127 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.786 3.306 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.951 4.994 4.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.965 3.995 3.845 1.00 0.00 H new ATOM 469 N VAL A 34 10.512 8.384 6.171 1.00 0.00 N ATOM 470 CA VAL A 34 11.922 8.569 5.730 1.00 0.00 C ATOM 471 C VAL A 34 12.077 8.093 4.291 1.00 0.00 C ATOM 472 O VAL A 34 11.485 7.115 3.877 1.00 0.00 O ATOM 473 CB VAL A 34 12.872 7.773 6.615 1.00 0.00 C ATOM 474 CG1 VAL A 34 12.640 6.286 6.419 1.00 0.00 C ATOM 475 CG2 VAL A 34 14.293 8.088 6.196 1.00 0.00 C ATOM 0 H VAL A 34 10.369 7.692 6.906 1.00 0.00 H new ATOM 0 HA VAL A 34 12.167 9.629 5.804 1.00 0.00 H new ATOM 0 HB VAL A 34 12.701 8.036 7.659 1.00 0.00 H new ATOM 0 HG11 VAL A 34 13.323 5.724 7.056 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.612 6.040 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.818 6.024 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.989 7.527 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.435 7.809 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.479 9.155 6.315 1.00 0.00 H new ATOM 485 N LEU A 35 12.877 8.776 3.530 1.00 0.00 N ATOM 486 CA LEU A 35 13.103 8.394 2.129 1.00 0.00 C ATOM 487 C LEU A 35 14.432 7.661 2.077 1.00 0.00 C ATOM 488 O LEU A 35 14.611 6.688 1.371 1.00 0.00 O ATOM 489 CB LEU A 35 13.138 9.703 1.346 1.00 0.00 C ATOM 490 CG LEU A 35 14.557 10.104 0.974 1.00 0.00 C ATOM 491 CD1 LEU A 35 15.074 9.195 -0.140 1.00 0.00 C ATOM 492 CD2 LEU A 35 14.543 11.556 0.508 1.00 0.00 C ATOM 0 H LEU A 35 13.393 9.602 3.835 1.00 0.00 H new ATOM 0 HA LEU A 35 12.337 7.740 1.711 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.541 9.600 0.440 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.681 10.494 1.941 1.00 0.00 H new ATOM 0 HG LEU A 35 15.216 10.002 1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 35 16.091 9.485 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 35 15.069 8.160 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 35 14.431 9.290 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 35 15.554 11.861 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.890 11.654 -0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.176 12.193 1.313 1.00 0.00 H new ATOM 504 N GLN A 36 15.358 8.146 2.841 1.00 0.00 N ATOM 505 CA GLN A 36 16.707 7.511 2.882 1.00 0.00 C ATOM 506 C GLN A 36 16.816 6.628 4.131 1.00 0.00 C ATOM 507 O GLN A 36 16.332 6.982 5.181 1.00 0.00 O ATOM 508 CB GLN A 36 17.793 8.588 2.917 1.00 0.00 C ATOM 509 CG GLN A 36 18.712 8.427 1.711 1.00 0.00 C ATOM 510 CD GLN A 36 20.141 8.159 2.184 1.00 0.00 C ATOM 511 OE1 GLN A 36 20.502 7.032 2.463 1.00 0.00 O ATOM 512 NE2 GLN A 36 20.979 9.154 2.286 1.00 0.00 N ATOM 0 H GLN A 36 15.245 8.960 3.445 1.00 0.00 H new ATOM 0 HA GLN A 36 16.843 6.900 1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.338 9.578 2.910 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.369 8.508 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 36 18.366 7.605 1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.685 9.328 1.098 1.00 0.00 H new ATOM 0 HE21 GLN A 36 20.678 10.100 2.052 1.00 0.00 H new ATOM 0 HE22 GLN A 36 21.935 8.986 2.599 1.00 0.00 H new ATOM 521 N PRO A 37 17.441 5.495 3.970 1.00 0.00 N ATOM 522 CA PRO A 37 17.619 4.516 5.057 1.00 0.00 C ATOM 523 C PRO A 37 18.767 4.905 5.979 1.00 0.00 C ATOM 524 O PRO A 37 18.566 5.379 7.080 1.00 0.00 O ATOM 525 CB PRO A 37 17.965 3.223 4.318 1.00 0.00 C ATOM 526 CG PRO A 37 18.526 3.649 2.939 1.00 0.00 C ATOM 527 CD PRO A 37 18.033 5.086 2.689 1.00 0.00 C ATOM 0 HA PRO A 37 16.735 4.440 5.690 1.00 0.00 H new ATOM 0 HB2 PRO A 37 18.700 2.642 4.874 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.083 2.593 4.202 1.00 0.00 H new ATOM 0 HG2 PRO A 37 19.615 3.607 2.934 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.177 2.978 2.154 1.00 0.00 H new ATOM 0 HD2 PRO A 37 18.853 5.744 2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.300 5.120 1.883 1.00 0.00 H new ATOM 535 N GLU A 38 19.970 4.695 5.540 1.00 0.00 N ATOM 536 CA GLU A 38 21.135 5.037 6.393 1.00 0.00 C ATOM 537 C GLU A 38 21.555 6.482 6.145 1.00 0.00 C ATOM 538 O GLU A 38 22.711 6.765 5.901 1.00 0.00 O ATOM 539 CB GLU A 38 22.302 4.100 6.075 1.00 0.00 C ATOM 540 CG GLU A 38 21.791 2.662 5.973 1.00 0.00 C ATOM 541 CD GLU A 38 22.822 1.711 6.584 1.00 0.00 C ATOM 542 OE1 GLU A 38 23.859 2.188 7.011 1.00 0.00 O ATOM 543 OE2 GLU A 38 22.555 0.520 6.613 1.00 0.00 O ATOM 0 H GLU A 38 20.198 4.301 4.627 1.00 0.00 H new ATOM 0 HA GLU A 38 20.855 4.921 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.775 4.396 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 38 23.062 4.172 6.853 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.838 2.565 6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.613 2.401 4.930 1.00 0.00 H new ATOM 550 N THR A 39 20.640 7.411 6.240 1.00 0.00 N ATOM 551 CA THR A 39 21.039 8.836 6.043 1.00 0.00 C ATOM 552 C THR A 39 22.113 9.193 7.069 1.00 0.00 C ATOM 553 O THR A 39 21.826 9.444 8.223 1.00 0.00 O ATOM 554 CB THR A 39 19.841 9.749 6.244 1.00 0.00 C ATOM 555 OG1 THR A 39 20.267 11.087 6.111 1.00 0.00 O ATOM 556 CG2 THR A 39 19.256 9.533 7.636 1.00 0.00 C ATOM 0 H THR A 39 19.653 7.250 6.441 1.00 0.00 H new ATOM 0 HA THR A 39 21.421 8.966 5.030 1.00 0.00 H new ATOM 0 HB THR A 39 19.075 9.526 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 39 20.373 11.304 5.161 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.397 10.190 7.776 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.940 8.495 7.741 1.00 0.00 H new ATOM 0 HG23 THR A 39 20.012 9.760 8.388 1.00 0.00 H new ATOM 564 N ASP A 40 23.348 9.221 6.654 1.00 0.00 N ATOM 565 CA ASP A 40 24.442 9.566 7.600 1.00 0.00 C ATOM 566 C ASP A 40 24.662 11.078 7.590 1.00 0.00 C ATOM 567 O ASP A 40 25.384 11.612 8.407 1.00 0.00 O ATOM 568 CB ASP A 40 25.724 8.863 7.179 1.00 0.00 C ATOM 569 CG ASP A 40 26.349 8.171 8.391 1.00 0.00 C ATOM 570 OD1 ASP A 40 26.641 8.860 9.355 1.00 0.00 O ATOM 571 OD2 ASP A 40 26.527 6.966 8.335 1.00 0.00 O ATOM 0 H ASP A 40 23.646 9.020 5.700 1.00 0.00 H new ATOM 0 HA ASP A 40 24.168 9.243 8.604 1.00 0.00 H new ATOM 0 HB2 ASP A 40 25.511 8.132 6.399 1.00 0.00 H new ATOM 0 HB3 ASP A 40 26.425 9.584 6.757 1.00 0.00 H new ATOM 576 N LEU A 41 24.047 11.771 6.666 1.00 0.00 N ATOM 577 CA LEU A 41 24.225 13.249 6.603 1.00 0.00 C ATOM 578 C LEU A 41 24.186 13.830 8.018 1.00 0.00 C ATOM 579 O LEU A 41 23.744 13.182 8.946 1.00 0.00 O ATOM 580 CB LEU A 41 23.112 13.889 5.749 1.00 0.00 C ATOM 581 CG LEU A 41 21.794 13.128 5.903 1.00 0.00 C ATOM 582 CD1 LEU A 41 21.265 13.232 7.324 1.00 0.00 C ATOM 583 CD2 LEU A 41 20.743 13.709 4.963 1.00 0.00 C ATOM 0 H LEU A 41 23.431 11.377 5.955 1.00 0.00 H new ATOM 0 HA LEU A 41 25.189 13.468 6.144 1.00 0.00 H new ATOM 0 HB2 LEU A 41 22.973 14.928 6.047 1.00 0.00 H new ATOM 0 HB3 LEU A 41 23.412 13.895 4.701 1.00 0.00 H new ATOM 0 HG LEU A 41 21.988 12.083 5.662 1.00 0.00 H new ATOM 0 HD11 LEU A 41 20.327 12.682 7.404 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.994 12.810 8.015 1.00 0.00 H new ATOM 0 HD13 LEU A 41 21.094 14.279 7.573 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.808 13.161 5.079 1.00 0.00 H new ATOM 0 HD22 LEU A 41 20.580 14.760 5.204 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.088 13.622 3.933 1.00 0.00 H new ATOM 595 N PRO A 42 24.654 15.042 8.142 1.00 0.00 N ATOM 596 CA PRO A 42 24.684 15.750 9.430 1.00 0.00 C ATOM 597 C PRO A 42 23.300 16.327 9.726 1.00 0.00 C ATOM 598 O PRO A 42 23.108 17.049 10.684 1.00 0.00 O ATOM 599 CB PRO A 42 25.687 16.879 9.194 1.00 0.00 C ATOM 600 CG PRO A 42 25.727 17.107 7.665 1.00 0.00 C ATOM 601 CD PRO A 42 25.203 15.817 7.012 1.00 0.00 C ATOM 0 HA PRO A 42 24.955 15.112 10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 42 25.382 17.786 9.715 1.00 0.00 H new ATOM 0 HB3 PRO A 42 26.673 16.610 9.573 1.00 0.00 H new ATOM 0 HG2 PRO A 42 25.110 17.961 7.385 1.00 0.00 H new ATOM 0 HG3 PRO A 42 26.742 17.324 7.333 1.00 0.00 H new ATOM 0 HD2 PRO A 42 24.438 16.030 6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 42 26.001 15.274 6.505 1.00 0.00 H new ATOM 609 N CYS A 43 22.338 16.031 8.894 1.00 0.00 N ATOM 610 CA CYS A 43 20.975 16.585 9.115 1.00 0.00 C ATOM 611 C CYS A 43 20.132 15.630 9.975 1.00 0.00 C ATOM 612 O CYS A 43 19.141 16.026 10.559 1.00 0.00 O ATOM 613 CB CYS A 43 20.293 16.771 7.765 1.00 0.00 C ATOM 614 SG CYS A 43 20.637 18.416 7.094 1.00 0.00 S ATOM 0 H CYS A 43 22.438 15.432 8.075 1.00 0.00 H new ATOM 0 HA CYS A 43 21.062 17.539 9.635 1.00 0.00 H new ATOM 0 HB2 CYS A 43 20.641 16.009 7.068 1.00 0.00 H new ATOM 0 HB3 CYS A 43 19.217 16.635 7.874 1.00 0.00 H new ATOM 619 N ALA A 44 20.482 14.370 10.035 1.00 0.00 N ATOM 620 CA ALA A 44 19.651 13.421 10.824 1.00 0.00 C ATOM 621 C ALA A 44 20.155 13.355 12.257 1.00 0.00 C ATOM 622 O ALA A 44 19.487 12.848 13.137 1.00 0.00 O ATOM 623 CB ALA A 44 19.671 12.036 10.167 1.00 0.00 C ATOM 0 H ALA A 44 21.298 13.964 9.577 1.00 0.00 H new ATOM 0 HA ALA A 44 18.620 13.774 10.843 1.00 0.00 H new ATOM 0 HB1 ALA A 44 19.060 11.347 10.751 1.00 0.00 H new ATOM 0 HB2 ALA A 44 19.271 12.107 9.156 1.00 0.00 H new ATOM 0 HB3 ALA A 44 20.696 11.667 10.127 1.00 0.00 H new ATOM 629 N LYS A 45 21.300 13.912 12.518 1.00 0.00 N ATOM 630 CA LYS A 45 21.803 13.933 13.892 1.00 0.00 C ATOM 631 C LYS A 45 20.782 14.699 14.699 1.00 0.00 C ATOM 632 O LYS A 45 20.341 14.294 15.756 1.00 0.00 O ATOM 633 CB LYS A 45 23.106 14.692 13.882 1.00 0.00 C ATOM 634 CG LYS A 45 24.155 13.957 14.720 1.00 0.00 C ATOM 635 CD LYS A 45 24.331 14.672 16.061 1.00 0.00 C ATOM 636 CE LYS A 45 25.318 15.830 15.897 1.00 0.00 C ATOM 637 NZ LYS A 45 26.556 15.541 16.676 1.00 0.00 N ATOM 0 H LYS A 45 21.905 14.354 11.826 1.00 0.00 H new ATOM 0 HA LYS A 45 21.959 12.936 14.304 1.00 0.00 H new ATOM 0 HB2 LYS A 45 23.462 14.804 12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.953 15.696 14.278 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.846 12.925 14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 25.105 13.925 14.186 1.00 0.00 H new ATOM 0 HD2 LYS A 45 23.370 15.046 16.414 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.696 13.973 16.813 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.562 15.968 14.844 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.866 16.759 16.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 27.227 16.327 16.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 26.315 15.430 17.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 26.990 14.663 16.325 1.00 0.00 H new ATOM 651 N ASP A 46 20.394 15.811 14.157 1.00 0.00 N ATOM 652 CA ASP A 46 19.376 16.658 14.810 1.00 0.00 C ATOM 653 C ASP A 46 18.000 16.032 14.580 1.00 0.00 C ATOM 654 O ASP A 46 17.146 16.047 15.444 1.00 0.00 O ATOM 655 CB ASP A 46 19.410 18.055 14.212 1.00 0.00 C ATOM 656 CG ASP A 46 19.732 19.075 15.306 1.00 0.00 C ATOM 657 OD1 ASP A 46 20.585 18.780 16.128 1.00 0.00 O ATOM 658 OD2 ASP A 46 19.122 20.131 15.304 1.00 0.00 O ATOM 0 H ASP A 46 20.748 16.174 13.272 1.00 0.00 H new ATOM 0 HA ASP A 46 19.580 16.727 15.879 1.00 0.00 H new ATOM 0 HB2 ASP A 46 20.160 18.105 13.422 1.00 0.00 H new ATOM 0 HB3 ASP A 46 18.449 18.289 13.754 1.00 0.00 H new ATOM 663 N ALA A 47 17.783 15.474 13.415 1.00 0.00 N ATOM 664 CA ALA A 47 16.465 14.839 13.131 1.00 0.00 C ATOM 665 C ALA A 47 16.040 13.997 14.334 1.00 0.00 C ATOM 666 O ALA A 47 14.876 13.925 14.672 1.00 0.00 O ATOM 667 CB ALA A 47 16.580 13.929 11.907 1.00 0.00 C ATOM 0 H ALA A 47 18.460 15.432 12.653 1.00 0.00 H new ATOM 0 HA ALA A 47 15.727 15.618 12.939 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.613 13.468 11.704 1.00 0.00 H new ATOM 0 HB2 ALA A 47 16.889 14.518 11.043 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.320 13.152 12.100 1.00 0.00 H new ATOM 673 N ALA A 48 16.977 13.359 14.985 1.00 0.00 N ATOM 674 CA ALA A 48 16.622 12.527 16.164 1.00 0.00 C ATOM 675 C ALA A 48 15.973 13.422 17.214 1.00 0.00 C ATOM 676 O ALA A 48 14.922 13.121 17.744 1.00 0.00 O ATOM 677 CB ALA A 48 17.892 11.898 16.735 1.00 0.00 C ATOM 0 H ALA A 48 17.969 13.380 14.749 1.00 0.00 H new ATOM 0 HA ALA A 48 15.929 11.737 15.875 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.638 11.286 17.601 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.362 11.274 15.975 1.00 0.00 H new ATOM 0 HB3 ALA A 48 18.583 12.685 17.037 1.00 0.00 H new ATOM 683 N ASP A 49 16.593 14.527 17.511 1.00 0.00 N ATOM 684 CA ASP A 49 16.026 15.455 18.513 1.00 0.00 C ATOM 685 C ASP A 49 14.909 16.280 17.869 1.00 0.00 C ATOM 686 O ASP A 49 14.277 17.094 18.512 1.00 0.00 O ATOM 687 CB ASP A 49 17.123 16.392 19.022 1.00 0.00 C ATOM 688 CG ASP A 49 17.118 16.406 20.552 1.00 0.00 C ATOM 689 OD1 ASP A 49 17.804 15.583 21.134 1.00 0.00 O ATOM 690 OD2 ASP A 49 16.428 17.241 21.113 1.00 0.00 O ATOM 0 H ASP A 49 17.476 14.826 17.097 1.00 0.00 H new ATOM 0 HA ASP A 49 15.621 14.883 19.348 1.00 0.00 H new ATOM 0 HB2 ASP A 49 18.095 16.063 18.655 1.00 0.00 H new ATOM 0 HB3 ASP A 49 16.961 17.399 18.639 1.00 0.00 H new ATOM 695 N SER A 50 14.668 16.086 16.597 1.00 0.00 N ATOM 696 CA SER A 50 13.601 16.873 15.918 1.00 0.00 C ATOM 697 C SER A 50 12.374 15.987 15.655 1.00 0.00 C ATOM 698 O SER A 50 11.400 16.052 16.376 1.00 0.00 O ATOM 699 CB SER A 50 14.143 17.435 14.599 1.00 0.00 C ATOM 700 OG SER A 50 13.403 18.595 14.245 1.00 0.00 O ATOM 0 H SER A 50 15.163 15.420 16.004 1.00 0.00 H new ATOM 0 HA SER A 50 13.298 17.699 16.562 1.00 0.00 H new ATOM 0 HB2 SER A 50 15.200 17.681 14.702 1.00 0.00 H new ATOM 0 HB3 SER A 50 14.065 16.685 13.811 1.00 0.00 H new ATOM 0 HG SER A 50 13.844 19.048 13.496 1.00 0.00 H new ATOM 706 N CYS A 51 12.401 15.166 14.633 1.00 0.00 N ATOM 707 CA CYS A 51 11.218 14.300 14.341 1.00 0.00 C ATOM 708 C CYS A 51 10.728 13.633 15.629 1.00 0.00 C ATOM 709 O CYS A 51 11.330 12.687 16.099 1.00 0.00 O ATOM 710 CB CYS A 51 11.604 13.210 13.329 1.00 0.00 C ATOM 711 SG CYS A 51 10.141 12.209 12.915 1.00 0.00 S ATOM 0 H CYS A 51 13.187 15.059 13.992 1.00 0.00 H new ATOM 0 HA CYS A 51 10.424 14.921 13.926 1.00 0.00 H new ATOM 0 HB2 CYS A 51 12.011 13.666 12.427 1.00 0.00 H new ATOM 0 HB3 CYS A 51 12.385 12.574 13.745 1.00 0.00 H new ATOM 716 N PRO A 52 9.638 14.132 16.156 1.00 0.00 N ATOM 717 CA PRO A 52 9.035 13.587 17.382 1.00 0.00 C ATOM 718 C PRO A 52 8.207 12.348 17.029 1.00 0.00 C ATOM 719 O PRO A 52 7.666 11.678 17.886 1.00 0.00 O ATOM 720 CB PRO A 52 8.135 14.721 17.877 1.00 0.00 C ATOM 721 CG PRO A 52 7.826 15.602 16.642 1.00 0.00 C ATOM 722 CD PRO A 52 8.903 15.282 15.587 1.00 0.00 C ATOM 0 HA PRO A 52 9.764 13.280 18.132 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.217 14.327 18.313 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.633 15.301 18.654 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.830 15.389 16.255 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.846 16.659 16.906 1.00 0.00 H new ATOM 0 HD2 PRO A 52 8.456 15.032 14.625 1.00 0.00 H new ATOM 0 HD3 PRO A 52 9.563 16.133 15.421 1.00 0.00 H new ATOM 730 N THR A 53 8.105 12.052 15.760 1.00 0.00 N ATOM 731 CA THR A 53 7.324 10.885 15.312 1.00 0.00 C ATOM 732 C THR A 53 8.162 9.618 15.448 1.00 0.00 C ATOM 733 O THR A 53 7.686 8.529 15.199 1.00 0.00 O ATOM 734 CB THR A 53 6.932 11.132 13.857 1.00 0.00 C ATOM 735 OG1 THR A 53 5.797 11.983 13.832 1.00 0.00 O ATOM 736 CG2 THR A 53 6.597 9.817 13.172 1.00 0.00 C ATOM 0 H THR A 53 8.542 12.586 15.009 1.00 0.00 H new ATOM 0 HA THR A 53 6.430 10.752 15.921 1.00 0.00 H new ATOM 0 HB THR A 53 7.764 11.597 13.329 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.001 12.785 13.308 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.319 10.007 12.135 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.467 9.160 13.200 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.765 9.339 13.689 1.00 0.00 H new ATOM 744 N GLY A 54 9.410 9.741 15.834 1.00 0.00 N ATOM 745 CA GLY A 54 10.254 8.518 15.950 1.00 0.00 C ATOM 746 C GLY A 54 10.020 7.718 14.679 1.00 0.00 C ATOM 747 O GLY A 54 9.923 6.507 14.682 1.00 0.00 O ATOM 0 H GLY A 54 9.871 10.620 16.069 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.307 8.780 16.056 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.979 7.938 16.831 1.00 0.00 H new ATOM 751 N ALA A 55 9.896 8.423 13.591 1.00 0.00 N ATOM 752 CA ALA A 55 9.627 7.772 12.290 1.00 0.00 C ATOM 753 C ALA A 55 10.957 7.416 11.615 1.00 0.00 C ATOM 754 O ALA A 55 11.160 6.293 11.197 1.00 0.00 O ATOM 755 CB ALA A 55 8.796 8.742 11.451 1.00 0.00 C ATOM 0 H ALA A 55 9.972 9.439 13.552 1.00 0.00 H new ATOM 0 HA ALA A 55 9.070 6.843 12.411 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.579 8.292 10.482 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.861 8.960 11.967 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.354 9.667 11.305 1.00 0.00 H new ATOM 761 N ILE A 56 11.881 8.339 11.553 1.00 0.00 N ATOM 762 CA ILE A 56 13.207 8.037 10.969 1.00 0.00 C ATOM 763 C ILE A 56 14.071 7.481 12.102 1.00 0.00 C ATOM 764 O ILE A 56 14.995 8.115 12.567 1.00 0.00 O ATOM 765 CB ILE A 56 13.832 9.316 10.420 1.00 0.00 C ATOM 766 CG1 ILE A 56 13.870 10.399 11.500 1.00 0.00 C ATOM 767 CG2 ILE A 56 13.011 9.806 9.230 1.00 0.00 C ATOM 768 CD1 ILE A 56 14.424 11.682 10.893 1.00 0.00 C ATOM 0 H ILE A 56 11.766 9.296 11.887 1.00 0.00 H new ATOM 0 HA ILE A 56 13.124 7.321 10.151 1.00 0.00 H new ATOM 0 HB ILE A 56 14.853 9.105 10.103 1.00 0.00 H new ATOM 0 HG12 ILE A 56 12.869 10.571 11.897 1.00 0.00 H new ATOM 0 HG13 ILE A 56 14.493 10.077 12.335 1.00 0.00 H new ATOM 0 HG21 ILE A 56 13.454 10.720 8.834 1.00 0.00 H new ATOM 0 HG22 ILE A 56 13.003 9.041 8.454 1.00 0.00 H new ATOM 0 HG23 ILE A 56 11.989 10.008 9.551 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.455 12.461 11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 56 15.431 11.501 10.517 1.00 0.00 H new ATOM 0 HD13 ILE A 56 13.782 12.003 10.072 1.00 0.00 H new ATOM 780 N SER A 57 13.746 6.313 12.583 1.00 0.00 N ATOM 781 CA SER A 57 14.506 5.745 13.719 1.00 0.00 C ATOM 782 C SER A 57 15.673 4.875 13.250 1.00 0.00 C ATOM 783 O SER A 57 15.608 4.183 12.259 1.00 0.00 O ATOM 784 CB SER A 57 13.569 4.916 14.595 1.00 0.00 C ATOM 785 OG SER A 57 14.322 3.929 15.287 1.00 0.00 O ATOM 0 H SER A 57 12.985 5.730 12.234 1.00 0.00 H new ATOM 0 HA SER A 57 14.921 6.575 14.290 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.053 5.561 15.306 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.804 4.441 13.981 1.00 0.00 H new ATOM 0 HG SER A 57 13.712 3.308 15.737 1.00 0.00 H new ATOM 791 N VAL A 58 16.720 4.884 14.020 1.00 0.00 N ATOM 792 CA VAL A 58 17.907 4.077 13.752 1.00 0.00 C ATOM 793 C VAL A 58 17.745 2.687 14.331 1.00 0.00 C ATOM 794 O VAL A 58 18.119 2.409 15.453 1.00 0.00 O ATOM 795 CB VAL A 58 19.077 4.725 14.441 1.00 0.00 C ATOM 796 CG1 VAL A 58 18.695 4.932 15.906 1.00 0.00 C ATOM 797 CG2 VAL A 58 20.283 3.803 14.326 1.00 0.00 C ATOM 0 H VAL A 58 16.790 5.452 14.864 1.00 0.00 H new ATOM 0 HA VAL A 58 18.057 4.008 12.675 1.00 0.00 H new ATOM 0 HB VAL A 58 19.328 5.684 13.988 1.00 0.00 H new ATOM 0 HG11 VAL A 58 19.524 5.401 16.435 1.00 0.00 H new ATOM 0 HG12 VAL A 58 17.816 5.574 15.966 1.00 0.00 H new ATOM 0 HG13 VAL A 58 18.472 3.968 16.363 1.00 0.00 H new ATOM 0 HG21 VAL A 58 21.139 4.260 14.822 1.00 0.00 H new ATOM 0 HG22 VAL A 58 20.057 2.848 14.800 1.00 0.00 H new ATOM 0 HG23 VAL A 58 20.517 3.640 13.274 1.00 0.00 H new ATOM 807 N GLU A 59 17.292 1.800 13.528 1.00 0.00 N ATOM 808 CA GLU A 59 17.207 0.394 13.951 1.00 0.00 C ATOM 809 C GLU A 59 18.516 -0.193 13.467 1.00 0.00 C ATOM 810 O GLU A 59 19.200 -0.919 14.161 1.00 0.00 O ATOM 811 CB GLU A 59 16.025 -0.298 13.293 1.00 0.00 C ATOM 812 CG GLU A 59 15.065 -0.802 14.369 1.00 0.00 C ATOM 813 CD GLU A 59 14.965 -2.327 14.290 1.00 0.00 C ATOM 814 OE1 GLU A 59 14.241 -2.810 13.435 1.00 0.00 O ATOM 815 OE2 GLU A 59 15.614 -2.985 15.086 1.00 0.00 O ATOM 0 H GLU A 59 16.970 1.987 12.578 1.00 0.00 H new ATOM 0 HA GLU A 59 17.058 0.278 15.024 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.510 0.394 12.627 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.372 -1.131 12.681 1.00 0.00 H new ATOM 0 HG2 GLU A 59 15.417 -0.501 15.356 1.00 0.00 H new ATOM 0 HG3 GLU A 59 14.081 -0.355 14.232 1.00 0.00 H new ATOM 822 N GLU A 60 18.874 0.166 12.260 1.00 0.00 N ATOM 823 CA GLU A 60 20.147 -0.305 11.677 1.00 0.00 C ATOM 824 C GLU A 60 20.687 0.742 10.700 1.00 0.00 C ATOM 825 O GLU A 60 21.242 1.725 11.163 1.00 0.00 O ATOM 826 CB GLU A 60 19.926 -1.630 10.946 1.00 0.00 C ATOM 827 CG GLU A 60 21.158 -2.521 11.126 1.00 0.00 C ATOM 828 CD GLU A 60 20.997 -3.367 12.391 1.00 0.00 C ATOM 829 OE1 GLU A 60 20.007 -4.072 12.487 1.00 0.00 O ATOM 830 OE2 GLU A 60 21.868 -3.295 13.243 1.00 0.00 O ATOM 831 OXT GLU A 60 20.536 0.542 9.506 1.00 0.00 O ATOM 0 H GLU A 60 18.324 0.774 11.653 1.00 0.00 H new ATOM 0 HA GLU A 60 20.871 -0.456 12.477 1.00 0.00 H new ATOM 0 HB2 GLU A 60 19.041 -2.131 11.338 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.747 -1.448 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 60 21.282 -3.167 10.257 1.00 0.00 H new ATOM 0 HG3 GLU A 60 22.056 -1.907 11.198 1.00 0.00 H new TER 838 GLU A 60 HETATM 839 FE1 SF4 A 61 6.554 13.312 9.939 1.00 0.00 FE HETATM 840 FE2 SF4 A 61 7.319 15.618 11.146 1.00 0.00 FE HETATM 841 FE3 SF4 A 61 8.715 14.651 9.059 1.00 0.00 FE HETATM 842 FE4 SF4 A 61 8.797 13.377 11.450 1.00 0.00 FE HETATM 843 S1 SF4 A 61 9.551 15.438 10.985 1.00 0.00 S HETATM 844 S2 SF4 A 61 8.561 12.436 9.418 1.00 0.00 S HETATM 845 S3 SF4 A 61 6.679 13.706 12.153 1.00 0.00 S HETATM 846 S4 SF4 A 61 6.588 15.372 9.032 1.00 0.00 S