USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 144 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 339 SER OG : rot 41:sc= 0.142 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -18:sc= -0.0166! USER MOD Single : A 356 THR OG1 : rot -14:sc= 0.54! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 1.989 4.934 -3.641 1.00 0.00 N ATOM 2 CA SER A 339 1.492 5.450 -2.334 1.00 0.00 C ATOM 3 C SER A 339 0.972 4.286 -1.490 1.00 0.00 C ATOM 4 O SER A 339 0.816 3.180 -1.969 1.00 0.00 O ATOM 5 CB SER A 339 0.361 6.449 -2.578 1.00 0.00 C ATOM 6 OG SER A 339 0.834 7.500 -3.409 1.00 0.00 O ATOM 0 HA SER A 339 2.306 5.945 -1.805 1.00 0.00 H new ATOM 0 HB2 SER A 339 -0.485 5.950 -3.050 1.00 0.00 H new ATOM 0 HB3 SER A 339 0.005 6.852 -1.630 1.00 0.00 H new ATOM 0 HG SER A 339 1.406 7.128 -4.113 1.00 0.00 H new ATOM 14 N ASP A 340 0.703 4.524 -0.235 1.00 0.00 N ATOM 15 CA ASP A 340 0.194 3.429 0.638 1.00 0.00 C ATOM 16 C ASP A 340 1.134 2.233 0.556 1.00 0.00 C ATOM 17 O ASP A 340 2.237 2.328 0.056 1.00 0.00 O ATOM 18 CB ASP A 340 -1.205 3.014 0.179 1.00 0.00 C ATOM 19 CG ASP A 340 -2.065 4.262 -0.032 1.00 0.00 C ATOM 20 OD1 ASP A 340 -2.449 4.866 0.955 1.00 0.00 O ATOM 21 OD2 ASP A 340 -2.324 4.591 -1.178 1.00 0.00 O ATOM 0 H ASP A 340 0.814 5.429 0.223 1.00 0.00 H new ATOM 0 HA ASP A 340 0.146 3.781 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 340 -1.141 2.443 -0.747 1.00 0.00 H new ATOM 0 HB3 ASP A 340 -1.665 2.364 0.923 1.00 0.00 H new ATOM 26 N LYS A 341 0.712 1.108 1.065 1.00 0.00 N ATOM 27 CA LYS A 341 1.580 -0.099 1.043 1.00 0.00 C ATOM 28 C LYS A 341 1.264 -0.965 -0.164 1.00 0.00 C ATOM 29 O LYS A 341 0.134 -1.311 -0.445 1.00 0.00 O ATOM 30 CB LYS A 341 1.358 -0.892 2.330 1.00 0.00 C ATOM 31 CG LYS A 341 2.146 -0.224 3.456 1.00 0.00 C ATOM 32 CD LYS A 341 1.632 1.210 3.663 1.00 0.00 C ATOM 33 CE LYS A 341 1.961 1.683 5.082 1.00 0.00 C ATOM 34 NZ LYS A 341 1.440 3.066 5.275 1.00 0.00 N ATOM 0 H LYS A 341 -0.202 0.974 1.497 1.00 0.00 H new ATOM 0 HA LYS A 341 2.623 0.210 0.974 1.00 0.00 H new ATOM 0 HB2 LYS A 341 0.297 -0.923 2.577 1.00 0.00 H new ATOM 0 HB3 LYS A 341 1.685 -1.924 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 341 2.039 -0.796 4.378 1.00 0.00 H new ATOM 0 HG3 LYS A 341 3.208 -0.209 3.211 1.00 0.00 H new ATOM 0 HD2 LYS A 341 2.089 1.878 2.933 1.00 0.00 H new ATOM 0 HD3 LYS A 341 0.555 1.247 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 341 1.516 1.009 5.814 1.00 0.00 H new ATOM 0 HE3 LYS A 341 3.039 1.663 5.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 1.662 3.389 6.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 1.884 3.704 4.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 0.409 3.071 5.137 1.00 0.00 H new ATOM 48 N GLU A 342 2.294 -1.316 -0.858 1.00 0.00 N ATOM 49 CA GLU A 342 2.187 -2.176 -2.063 1.00 0.00 C ATOM 50 C GLU A 342 3.361 -3.137 -1.985 1.00 0.00 C ATOM 51 O GLU A 342 3.215 -4.334 -1.837 1.00 0.00 O ATOM 52 CB GLU A 342 2.286 -1.311 -3.335 1.00 0.00 C ATOM 53 CG GLU A 342 2.845 0.060 -2.976 1.00 0.00 C ATOM 54 CD GLU A 342 3.266 0.799 -4.248 1.00 0.00 C ATOM 55 OE1 GLU A 342 4.364 0.551 -4.717 1.00 0.00 O ATOM 56 OE2 GLU A 342 2.483 1.601 -4.730 1.00 0.00 O ATOM 0 H GLU A 342 3.248 -1.032 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 342 1.236 -2.707 -2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 342 2.929 -1.797 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 342 1.303 -1.206 -3.793 1.00 0.00 H new ATOM 0 HG2 GLU A 342 2.094 0.640 -2.440 1.00 0.00 H new ATOM 0 HG3 GLU A 342 3.700 -0.049 -2.308 1.00 0.00 H new ATOM 63 N VAL A 343 4.533 -2.580 -2.036 1.00 0.00 N ATOM 64 CA VAL A 343 5.779 -3.382 -1.917 1.00 0.00 C ATOM 65 C VAL A 343 6.344 -3.116 -0.560 1.00 0.00 C ATOM 66 O VAL A 343 6.940 -3.958 0.080 1.00 0.00 O ATOM 67 CB VAL A 343 6.782 -2.935 -2.980 1.00 0.00 C ATOM 68 CG1 VAL A 343 7.309 -1.540 -2.607 1.00 0.00 C ATOM 69 CG2 VAL A 343 7.945 -3.929 -3.035 1.00 0.00 C ATOM 0 H VAL A 343 4.685 -1.579 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 343 5.573 -4.443 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 343 6.299 -2.898 -3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 343 8.026 -1.209 -3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 343 6.478 -0.836 -2.564 1.00 0.00 H new ATOM 0 HG13 VAL A 343 7.797 -1.584 -1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 343 8.660 -3.610 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 343 8.438 -3.966 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 343 7.566 -4.919 -3.288 1.00 0.00 H new ATOM 79 N ASP A 344 6.124 -1.939 -0.127 1.00 0.00 N ATOM 80 CA ASP A 344 6.591 -1.552 1.193 1.00 0.00 C ATOM 81 C ASP A 344 8.073 -1.826 1.345 1.00 0.00 C ATOM 82 O ASP A 344 8.784 -2.011 0.379 1.00 0.00 O ATOM 83 CB ASP A 344 5.786 -2.364 2.172 1.00 0.00 C ATOM 84 CG ASP A 344 5.853 -1.742 3.569 1.00 0.00 C ATOM 85 OD1 ASP A 344 5.534 -0.571 3.690 1.00 0.00 O ATOM 86 OD2 ASP A 344 6.222 -2.448 4.493 1.00 0.00 O ATOM 0 H ASP A 344 5.629 -1.212 -0.643 1.00 0.00 H new ATOM 0 HA ASP A 344 6.459 -0.484 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 344 4.749 -2.419 1.841 1.00 0.00 H new ATOM 0 HB3 ASP A 344 6.165 -3.386 2.204 1.00 0.00 H new ATOM 91 N GLU A 345 8.543 -1.864 2.557 1.00 0.00 N ATOM 92 CA GLU A 345 9.967 -2.144 2.780 1.00 0.00 C ATOM 93 C GLU A 345 10.829 -1.248 1.895 1.00 0.00 C ATOM 94 O GLU A 345 11.941 -1.585 1.542 1.00 0.00 O ATOM 95 CB GLU A 345 10.185 -3.579 2.401 1.00 0.00 C ATOM 96 CG GLU A 345 9.131 -4.460 3.088 1.00 0.00 C ATOM 97 CD GLU A 345 9.632 -5.905 3.170 1.00 0.00 C ATOM 98 OE1 GLU A 345 10.635 -6.199 2.540 1.00 0.00 O ATOM 99 OE2 GLU A 345 9.005 -6.690 3.861 1.00 0.00 O ATOM 0 H GLU A 345 7.992 -1.711 3.402 1.00 0.00 H new ATOM 0 HA GLU A 345 10.241 -1.955 3.818 1.00 0.00 H new ATOM 0 HB2 GLU A 345 10.120 -3.694 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 345 11.186 -3.895 2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 345 8.924 -4.081 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 345 8.194 -4.422 2.532 1.00 0.00 H new ATOM 106 N VAL A 346 10.329 -0.104 1.555 1.00 0.00 N ATOM 107 CA VAL A 346 11.117 0.836 0.713 1.00 0.00 C ATOM 108 C VAL A 346 12.059 1.545 1.645 1.00 0.00 C ATOM 109 O VAL A 346 12.894 2.342 1.267 1.00 0.00 O ATOM 110 CB VAL A 346 10.172 1.830 0.016 1.00 0.00 C ATOM 111 CG1 VAL A 346 10.931 3.107 -0.350 1.00 0.00 C ATOM 112 CG2 VAL A 346 9.606 1.194 -1.257 1.00 0.00 C ATOM 0 H VAL A 346 9.402 0.228 1.823 1.00 0.00 H new ATOM 0 HA VAL A 346 11.669 0.317 -0.070 1.00 0.00 H new ATOM 0 HB VAL A 346 9.357 2.079 0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 346 10.254 3.804 -0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 346 11.329 3.566 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 346 11.752 2.862 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 346 8.937 1.899 -1.750 1.00 0.00 H new ATOM 0 HG22 VAL A 346 10.424 0.939 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 346 9.054 0.291 -0.998 1.00 0.00 H new ATOM 122 N ASP A 347 11.904 1.233 2.871 1.00 0.00 N ATOM 123 CA ASP A 347 12.736 1.823 3.929 1.00 0.00 C ATOM 124 C ASP A 347 13.872 0.868 4.196 1.00 0.00 C ATOM 125 O ASP A 347 14.608 0.972 5.157 1.00 0.00 O ATOM 126 CB ASP A 347 11.854 1.980 5.161 1.00 0.00 C ATOM 127 CG ASP A 347 12.220 3.252 5.933 1.00 0.00 C ATOM 128 OD1 ASP A 347 11.738 4.308 5.557 1.00 0.00 O ATOM 129 OD2 ASP A 347 12.976 3.148 6.884 1.00 0.00 O ATOM 0 H ASP A 347 11.208 0.566 3.205 1.00 0.00 H new ATOM 0 HA ASP A 347 13.145 2.795 3.652 1.00 0.00 H new ATOM 0 HB2 ASP A 347 10.807 2.020 4.861 1.00 0.00 H new ATOM 0 HB3 ASP A 347 11.968 1.111 5.809 1.00 0.00 H new ATOM 134 N ALA A 348 14.011 -0.037 3.310 1.00 0.00 N ATOM 135 CA ALA A 348 15.089 -1.039 3.380 1.00 0.00 C ATOM 136 C ALA A 348 15.879 -0.864 2.099 1.00 0.00 C ATOM 137 O ALA A 348 16.968 -1.365 1.936 1.00 0.00 O ATOM 138 CB ALA A 348 14.456 -2.416 3.451 1.00 0.00 C ATOM 0 H ALA A 348 13.399 -0.136 2.500 1.00 0.00 H new ATOM 0 HA ALA A 348 15.735 -0.924 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 348 15.238 -3.174 3.504 1.00 0.00 H new ATOM 0 HB2 ALA A 348 13.827 -2.482 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.848 -2.583 2.562 1.00 0.00 H new ATOM 144 N ALA A 349 15.301 -0.107 1.205 1.00 0.00 N ATOM 145 CA ALA A 349 15.937 0.200 -0.099 1.00 0.00 C ATOM 146 C ALA A 349 17.028 1.240 0.130 1.00 0.00 C ATOM 147 O ALA A 349 17.987 1.342 -0.607 1.00 0.00 O ATOM 148 CB ALA A 349 14.869 0.792 -1.007 1.00 0.00 C ATOM 0 H ALA A 349 14.385 0.322 1.334 1.00 0.00 H new ATOM 0 HA ALA A 349 16.367 -0.695 -0.548 1.00 0.00 H new ATOM 0 HB1 ALA A 349 15.307 1.029 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.063 0.070 -1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 349 14.471 1.701 -0.556 1.00 0.00 H new ATOM 154 N LEU A 350 16.876 2.012 1.161 1.00 0.00 N ATOM 155 CA LEU A 350 17.874 3.051 1.483 1.00 0.00 C ATOM 156 C LEU A 350 19.039 2.376 2.198 1.00 0.00 C ATOM 157 O LEU A 350 20.085 2.957 2.407 1.00 0.00 O ATOM 158 CB LEU A 350 17.171 4.111 2.350 1.00 0.00 C ATOM 159 CG LEU A 350 17.276 3.800 3.842 1.00 0.00 C ATOM 160 CD1 LEU A 350 16.734 4.987 4.630 1.00 0.00 C ATOM 161 CD2 LEU A 350 16.440 2.567 4.146 1.00 0.00 C ATOM 0 H LEU A 350 16.086 1.964 1.805 1.00 0.00 H new ATOM 0 HA LEU A 350 18.274 3.548 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 350 17.611 5.089 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 350 16.120 4.171 2.066 1.00 0.00 H new ATOM 0 HG LEU A 350 18.314 3.617 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 350 16.803 4.777 5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 350 17.319 5.877 4.396 1.00 0.00 H new ATOM 0 HD13 LEU A 350 15.692 5.157 4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 350 16.507 2.335 5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 350 15.400 2.758 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 350 16.813 1.723 3.566 1.00 0.00 H new ATOM 173 N SER A 351 18.846 1.139 2.565 1.00 0.00 N ATOM 174 CA SER A 351 19.919 0.367 3.270 1.00 0.00 C ATOM 175 C SER A 351 20.396 -0.698 2.321 1.00 0.00 C ATOM 176 O SER A 351 21.119 -1.603 2.663 1.00 0.00 O ATOM 177 CB SER A 351 19.346 -0.277 4.530 1.00 0.00 C ATOM 178 OG SER A 351 20.329 -1.117 5.120 1.00 0.00 O ATOM 0 H SER A 351 17.982 0.621 2.406 1.00 0.00 H new ATOM 0 HA SER A 351 20.741 1.020 3.563 1.00 0.00 H new ATOM 0 HB2 SER A 351 19.038 0.493 5.237 1.00 0.00 H new ATOM 0 HB3 SER A 351 18.457 -0.857 4.283 1.00 0.00 H new ATOM 0 HG SER A 351 21.027 -1.316 4.462 1.00 0.00 H new ATOM 184 N ASP A 352 19.954 -0.555 1.127 1.00 0.00 N ATOM 185 CA ASP A 352 20.271 -1.483 0.019 1.00 0.00 C ATOM 186 C ASP A 352 21.212 -0.779 -0.907 1.00 0.00 C ATOM 187 O ASP A 352 21.540 -1.209 -1.994 1.00 0.00 O ATOM 188 CB ASP A 352 18.949 -1.688 -0.653 1.00 0.00 C ATOM 189 CG ASP A 352 19.001 -2.876 -1.616 1.00 0.00 C ATOM 190 OD1 ASP A 352 20.071 -3.442 -1.770 1.00 0.00 O ATOM 191 OD2 ASP A 352 17.970 -3.199 -2.183 1.00 0.00 O ATOM 0 H ASP A 352 19.346 0.216 0.850 1.00 0.00 H new ATOM 0 HA ASP A 352 20.729 -2.422 0.331 1.00 0.00 H new ATOM 0 HB2 ASP A 352 18.178 -1.858 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 352 18.670 -0.786 -1.198 1.00 0.00 H new ATOM 196 N LEU A 353 21.582 0.332 -0.448 1.00 0.00 N ATOM 197 CA LEU A 353 22.446 1.242 -1.140 1.00 0.00 C ATOM 198 C LEU A 353 23.796 1.165 -0.465 1.00 0.00 C ATOM 199 O LEU A 353 24.832 0.969 -1.060 1.00 0.00 O ATOM 200 CB LEU A 353 21.798 2.569 -0.834 1.00 0.00 C ATOM 201 CG LEU A 353 22.817 3.713 -0.922 1.00 0.00 C ATOM 202 CD1 LEU A 353 22.143 4.944 -1.487 1.00 0.00 C ATOM 203 CD2 LEU A 353 23.451 4.062 0.455 1.00 0.00 C ATOM 0 H LEU A 353 21.289 0.674 0.467 1.00 0.00 H new ATOM 0 HA LEU A 353 22.577 1.059 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 353 20.982 2.749 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.361 2.543 0.164 1.00 0.00 H new ATOM 0 HG LEU A 353 23.623 3.377 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 353 22.865 5.758 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 353 21.757 4.723 -2.482 1.00 0.00 H new ATOM 0 HD13 LEU A 353 21.320 5.239 -0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 353 24.163 4.878 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 353 22.668 4.366 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 353 23.966 3.187 0.851 1.00 0.00 H new ATOM 215 N GLU A 354 23.748 1.345 0.804 1.00 0.00 N ATOM 216 CA GLU A 354 24.954 1.316 1.626 1.00 0.00 C ATOM 217 C GLU A 354 25.715 0.049 1.318 1.00 0.00 C ATOM 218 O GLU A 354 26.926 -0.023 1.355 1.00 0.00 O ATOM 219 CB GLU A 354 24.501 1.292 3.070 1.00 0.00 C ATOM 220 CG GLU A 354 23.728 0.001 3.309 1.00 0.00 C ATOM 221 CD GLU A 354 22.926 0.102 4.609 1.00 0.00 C ATOM 222 OE1 GLU A 354 22.569 1.208 4.981 1.00 0.00 O ATOM 223 OE2 GLU A 354 22.685 -0.930 5.213 1.00 0.00 O ATOM 0 H GLU A 354 22.887 1.518 1.323 1.00 0.00 H new ATOM 0 HA GLU A 354 25.594 2.177 1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 354 25.360 1.349 3.738 1.00 0.00 H new ATOM 0 HB3 GLU A 354 23.872 2.156 3.285 1.00 0.00 H new ATOM 0 HG2 GLU A 354 23.056 -0.190 2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 354 24.418 -0.841 3.363 1.00 0.00 H new ATOM 230 N ILE A 355 24.958 -0.947 1.040 1.00 0.00 N ATOM 231 CA ILE A 355 25.521 -2.285 0.732 1.00 0.00 C ATOM 232 C ILE A 355 26.205 -2.261 -0.594 1.00 0.00 C ATOM 233 O ILE A 355 26.885 -3.194 -0.975 1.00 0.00 O ATOM 234 CB ILE A 355 24.392 -3.318 0.604 1.00 0.00 C ATOM 235 CG1 ILE A 355 23.266 -2.958 1.536 1.00 0.00 C ATOM 236 CG2 ILE A 355 24.937 -4.681 0.926 1.00 0.00 C ATOM 237 CD1 ILE A 355 22.228 -4.096 1.575 1.00 0.00 C ATOM 0 H ILE A 355 23.940 -0.899 1.010 1.00 0.00 H new ATOM 0 HA ILE A 355 26.211 -2.543 1.536 1.00 0.00 H new ATOM 0 HB ILE A 355 24.003 -3.323 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 355 23.656 -2.776 2.537 1.00 0.00 H new ATOM 0 HG13 ILE A 355 22.792 -2.034 1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 355 24.142 -5.421 0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 355 25.739 -4.926 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 355 25.326 -4.686 1.944 1.00 0.00 H new ATOM 0 HD11 ILE A 355 21.417 -3.826 2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 355 21.827 -4.257 0.574 1.00 0.00 H new ATOM 0 HD13 ILE A 355 22.705 -5.011 1.926 1.00 0.00 H new ATOM 249 N THR A 356 25.934 -1.255 -1.340 1.00 0.00 N ATOM 250 CA THR A 356 26.463 -1.204 -2.724 1.00 0.00 C ATOM 251 C THR A 356 27.065 0.148 -3.078 1.00 0.00 C ATOM 252 O THR A 356 27.652 0.325 -4.127 1.00 0.00 O ATOM 253 CB THR A 356 25.290 -1.505 -3.621 1.00 0.00 C ATOM 254 OG1 THR A 356 25.639 -1.272 -4.979 1.00 0.00 O ATOM 255 CG2 THR A 356 24.136 -0.602 -3.201 1.00 0.00 C ATOM 0 H THR A 356 25.366 -0.455 -1.060 1.00 0.00 H new ATOM 0 HA THR A 356 27.275 -1.922 -2.840 1.00 0.00 H new ATOM 0 HB THR A 356 24.998 -2.551 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 356 26.475 -0.762 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 356 23.271 -0.798 -3.835 1.00 0.00 H new ATOM 0 HG22 THR A 356 23.877 -0.802 -2.161 1.00 0.00 H new ATOM 0 HG23 THR A 356 24.433 0.441 -3.306 1.00 0.00 H new ATOM 263 N LEU A 357 26.959 1.079 -2.200 1.00 0.00 N ATOM 264 CA LEU A 357 27.554 2.427 -2.429 1.00 0.00 C ATOM 265 C LEU A 357 28.844 2.421 -1.632 1.00 0.00 C ATOM 266 O LEU A 357 29.496 3.413 -1.384 1.00 0.00 O ATOM 267 CB LEU A 357 26.577 3.485 -1.909 1.00 0.00 C ATOM 268 CG LEU A 357 27.197 4.888 -1.931 1.00 0.00 C ATOM 269 CD1 LEU A 357 27.912 5.133 -3.263 1.00 0.00 C ATOM 270 CD2 LEU A 357 26.087 5.930 -1.757 1.00 0.00 C ATOM 0 H LEU A 357 26.476 0.973 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 357 27.746 2.650 -3.478 1.00 0.00 H new ATOM 0 HB2 LEU A 357 25.673 3.477 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 357 26.278 3.235 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 357 27.920 4.970 -1.120 1.00 0.00 H new ATOM 0 HD11 LEU A 357 28.347 6.132 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 357 28.702 4.393 -3.393 1.00 0.00 H new ATOM 0 HD13 LEU A 357 27.197 5.048 -4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 357 26.521 6.930 -1.772 1.00 0.00 H new ATOM 0 HD22 LEU A 357 25.368 5.835 -2.570 1.00 0.00 H new ATOM 0 HD23 LEU A 357 25.582 5.768 -0.805 1.00 0.00 H new ATOM 282 N GLU A 358 29.181 1.246 -1.232 1.00 0.00 N ATOM 283 CA GLU A 358 30.398 1.006 -0.422 1.00 0.00 C ATOM 284 C GLU A 358 31.595 0.777 -1.350 1.00 0.00 C ATOM 285 O GLU A 358 31.478 1.088 -2.524 1.00 0.00 O ATOM 286 CB GLU A 358 30.157 -0.231 0.459 1.00 0.00 C ATOM 287 CG GLU A 358 29.243 -1.218 -0.271 1.00 0.00 C ATOM 288 CD GLU A 358 29.828 -1.535 -1.649 1.00 0.00 C ATOM 289 OE1 GLU A 358 29.500 -0.829 -2.587 1.00 0.00 O ATOM 290 OE2 GLU A 358 30.594 -2.480 -1.741 1.00 0.00 O ATOM 291 OXT GLU A 358 32.608 0.294 -0.870 1.00 0.00 O ATOM 0 H GLU A 358 28.645 0.403 -1.439 1.00 0.00 H new ATOM 0 HA GLU A 358 30.612 1.868 0.209 1.00 0.00 H new ATOM 0 HB2 GLU A 358 31.107 -0.709 0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 358 29.704 0.067 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 358 29.141 -2.134 0.311 1.00 0.00 H new ATOM 0 HG3 GLU A 358 28.244 -0.794 -0.377 1.00 0.00 H new TER 298 GLU A 358