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 42:sc= 0.0226 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -8:sc= 0.115 USER MOD Single : A 356 THR OG1 : rot -17:sc= 0.502! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 6.988 1.603 6.120 1.00 0.00 N ATOM 2 CA SER A 339 6.216 2.759 5.583 1.00 0.00 C ATOM 3 C SER A 339 5.107 2.247 4.660 1.00 0.00 C ATOM 4 O SER A 339 4.150 1.641 5.101 1.00 0.00 O ATOM 5 CB SER A 339 7.154 3.678 4.798 1.00 0.00 C ATOM 6 OG SER A 339 8.074 4.286 5.695 1.00 0.00 O ATOM 0 HA SER A 339 5.772 3.315 6.408 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.690 3.108 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.579 4.442 4.275 1.00 0.00 H new ATOM 0 HG SER A 339 8.384 3.622 6.346 1.00 0.00 H new ATOM 14 N ASP A 340 5.227 2.484 3.381 1.00 0.00 N ATOM 15 CA ASP A 340 4.178 2.008 2.435 1.00 0.00 C ATOM 16 C ASP A 340 4.331 0.500 2.223 1.00 0.00 C ATOM 17 O ASP A 340 5.173 -0.139 2.822 1.00 0.00 O ATOM 18 CB ASP A 340 4.331 2.735 1.095 1.00 0.00 C ATOM 19 CG ASP A 340 4.579 4.223 1.347 1.00 0.00 C ATOM 20 OD1 ASP A 340 5.487 4.533 2.099 1.00 0.00 O ATOM 21 OD2 ASP A 340 3.856 5.028 0.782 1.00 0.00 O ATOM 0 H ASP A 340 6.005 2.986 2.952 1.00 0.00 H new ATOM 0 HA ASP A 340 3.191 2.217 2.848 1.00 0.00 H new ATOM 0 HB2 ASP A 340 5.160 2.308 0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 340 3.432 2.602 0.492 1.00 0.00 H new ATOM 26 N LYS A 341 3.522 -0.074 1.374 1.00 0.00 N ATOM 27 CA LYS A 341 3.622 -1.544 1.122 1.00 0.00 C ATOM 28 C LYS A 341 2.776 -1.917 -0.089 1.00 0.00 C ATOM 29 O LYS A 341 3.048 -2.875 -0.785 1.00 0.00 O ATOM 30 CB LYS A 341 3.186 -2.309 2.393 1.00 0.00 C ATOM 31 CG LYS A 341 1.673 -2.610 2.384 1.00 0.00 C ATOM 32 CD LYS A 341 1.386 -3.950 1.657 1.00 0.00 C ATOM 33 CE LYS A 341 1.247 -5.086 2.679 1.00 0.00 C ATOM 34 NZ LYS A 341 -0.155 -5.129 3.184 1.00 0.00 N ATOM 0 H LYS A 341 2.797 0.409 0.844 1.00 0.00 H new ATOM 0 HA LYS A 341 4.652 -1.822 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 341 3.743 -3.243 2.465 1.00 0.00 H new ATOM 0 HB3 LYS A 341 3.435 -1.720 3.276 1.00 0.00 H new ATOM 0 HG2 LYS A 341 1.300 -2.658 3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 341 1.139 -1.800 1.888 1.00 0.00 H new ATOM 0 HD2 LYS A 341 0.472 -3.865 1.069 1.00 0.00 H new ATOM 0 HD3 LYS A 341 2.193 -4.174 0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 341 1.509 -6.039 2.218 1.00 0.00 H new ATOM 0 HE3 LYS A 341 1.939 -4.932 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 -0.251 -5.899 3.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 -0.388 -4.223 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 -0.805 -5.295 2.390 1.00 0.00 H new ATOM 48 N GLU A 342 1.762 -1.151 -0.334 1.00 0.00 N ATOM 49 CA GLU A 342 0.862 -1.406 -1.506 1.00 0.00 C ATOM 50 C GLU A 342 1.726 -1.782 -2.712 1.00 0.00 C ATOM 51 O GLU A 342 1.939 -2.941 -3.005 1.00 0.00 O ATOM 52 CB GLU A 342 0.031 -0.138 -1.824 1.00 0.00 C ATOM 53 CG GLU A 342 0.654 1.060 -1.122 1.00 0.00 C ATOM 54 CD GLU A 342 0.062 2.356 -1.679 1.00 0.00 C ATOM 55 OE1 GLU A 342 -0.843 2.270 -2.493 1.00 0.00 O ATOM 56 OE2 GLU A 342 0.525 3.414 -1.283 1.00 0.00 O ATOM 0 H GLU A 342 1.505 -0.342 0.232 1.00 0.00 H new ATOM 0 HA GLU A 342 0.174 -2.219 -1.274 1.00 0.00 H new ATOM 0 HB2 GLU A 342 0.002 0.031 -2.900 1.00 0.00 H new ATOM 0 HB3 GLU A 342 -0.999 -0.272 -1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 342 0.472 0.999 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 342 1.735 1.054 -1.263 1.00 0.00 H new ATOM 63 N VAL A 343 2.250 -0.802 -3.386 1.00 0.00 N ATOM 64 CA VAL A 343 3.134 -1.085 -4.547 1.00 0.00 C ATOM 65 C VAL A 343 4.514 -1.330 -4.015 1.00 0.00 C ATOM 66 O VAL A 343 5.482 -1.350 -4.744 1.00 0.00 O ATOM 67 CB VAL A 343 3.127 0.112 -5.499 1.00 0.00 C ATOM 68 CG1 VAL A 343 4.049 1.213 -4.962 1.00 0.00 C ATOM 69 CG2 VAL A 343 3.603 -0.323 -6.888 1.00 0.00 C ATOM 0 H VAL A 343 2.104 0.187 -3.183 1.00 0.00 H new ATOM 0 HA VAL A 343 2.788 -1.958 -5.101 1.00 0.00 H new ATOM 0 HB VAL A 343 2.110 0.499 -5.572 1.00 0.00 H new ATOM 0 HG11 VAL A 343 4.038 2.062 -5.646 1.00 0.00 H new ATOM 0 HG12 VAL A 343 3.700 1.533 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 343 5.065 0.828 -4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 343 3.595 0.535 -7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 343 4.616 -0.720 -6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 343 2.937 -1.094 -7.276 1.00 0.00 H new ATOM 79 N ASP A 344 4.577 -1.519 -2.736 1.00 0.00 N ATOM 80 CA ASP A 344 5.858 -1.786 -2.045 1.00 0.00 C ATOM 81 C ASP A 344 6.574 -0.479 -1.731 1.00 0.00 C ATOM 82 O ASP A 344 6.055 0.602 -1.923 1.00 0.00 O ATOM 83 CB ASP A 344 6.736 -2.663 -2.930 1.00 0.00 C ATOM 84 CG ASP A 344 7.720 -3.476 -2.081 1.00 0.00 C ATOM 85 OD1 ASP A 344 8.768 -2.944 -1.754 1.00 0.00 O ATOM 86 OD2 ASP A 344 7.407 -4.614 -1.774 1.00 0.00 O ATOM 0 H ASP A 344 3.765 -1.499 -2.119 1.00 0.00 H new ATOM 0 HA ASP A 344 5.657 -2.303 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 344 6.112 -3.337 -3.517 1.00 0.00 H new ATOM 0 HB3 ASP A 344 7.285 -2.041 -3.637 1.00 0.00 H new ATOM 91 N GLU A 345 7.767 -0.595 -1.234 1.00 0.00 N ATOM 92 CA GLU A 345 8.574 0.592 -0.869 1.00 0.00 C ATOM 93 C GLU A 345 9.802 0.670 -1.767 1.00 0.00 C ATOM 94 O GLU A 345 10.225 -0.302 -2.360 1.00 0.00 O ATOM 95 CB GLU A 345 9.023 0.415 0.571 1.00 0.00 C ATOM 96 CG GLU A 345 7.802 0.399 1.497 1.00 0.00 C ATOM 97 CD GLU A 345 8.241 0.679 2.937 1.00 0.00 C ATOM 98 OE1 GLU A 345 9.135 1.489 3.118 1.00 0.00 O ATOM 99 OE2 GLU A 345 7.674 0.077 3.835 1.00 0.00 O ATOM 0 H GLU A 345 8.228 -1.488 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 345 7.988 1.504 -0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 345 9.582 -0.515 0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 345 9.695 1.225 0.854 1.00 0.00 H new ATOM 0 HG2 GLU A 345 7.080 1.149 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 345 7.304 -0.569 1.440 1.00 0.00 H new ATOM 106 N VAL A 346 10.376 1.829 -1.860 1.00 0.00 N ATOM 107 CA VAL A 346 11.590 2.012 -2.709 1.00 0.00 C ATOM 108 C VAL A 346 12.465 3.099 -2.115 1.00 0.00 C ATOM 109 O VAL A 346 13.563 3.358 -2.566 1.00 0.00 O ATOM 110 CB VAL A 346 11.161 2.384 -4.138 1.00 0.00 C ATOM 111 CG1 VAL A 346 12.333 3.017 -4.888 1.00 0.00 C ATOM 112 CG2 VAL A 346 10.701 1.124 -4.880 1.00 0.00 C ATOM 0 H VAL A 346 10.057 2.671 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 346 12.162 1.085 -2.744 1.00 0.00 H new ATOM 0 HB VAL A 346 10.340 3.099 -4.088 1.00 0.00 H new ATOM 0 HG11 VAL A 346 12.020 3.277 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 346 12.656 3.917 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 346 13.160 2.308 -4.935 1.00 0.00 H new ATOM 0 HG21 VAL A 346 10.397 1.389 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 346 11.521 0.407 -4.923 1.00 0.00 H new ATOM 0 HG23 VAL A 346 9.857 0.679 -4.353 1.00 0.00 H new ATOM 122 N ASP A 347 11.984 3.724 -1.109 1.00 0.00 N ATOM 123 CA ASP A 347 12.754 4.805 -0.446 1.00 0.00 C ATOM 124 C ASP A 347 13.474 4.219 0.740 1.00 0.00 C ATOM 125 O ASP A 347 13.981 4.908 1.602 1.00 0.00 O ATOM 126 CB ASP A 347 11.763 5.863 0.006 1.00 0.00 C ATOM 127 CG ASP A 347 12.416 7.249 0.009 1.00 0.00 C ATOM 128 OD1 ASP A 347 13.411 7.413 0.697 1.00 0.00 O ATOM 129 OD2 ASP A 347 11.910 8.122 -0.677 1.00 0.00 O ATOM 0 H ASP A 347 11.069 3.537 -0.698 1.00 0.00 H new ATOM 0 HA ASP A 347 13.486 5.249 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 347 10.897 5.865 -0.656 1.00 0.00 H new ATOM 0 HB3 ASP A 347 11.399 5.625 1.005 1.00 0.00 H new ATOM 134 N ALA A 348 13.544 2.950 0.740 1.00 0.00 N ATOM 135 CA ALA A 348 14.254 2.213 1.799 1.00 0.00 C ATOM 136 C ALA A 348 15.283 1.375 1.071 1.00 0.00 C ATOM 137 O ALA A 348 16.207 0.845 1.642 1.00 0.00 O ATOM 138 CB ALA A 348 13.249 1.348 2.537 1.00 0.00 C ATOM 0 H ALA A 348 13.124 2.357 0.024 1.00 0.00 H new ATOM 0 HA ALA A 348 14.734 2.857 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 348 13.756 0.794 3.326 1.00 0.00 H new ATOM 0 HB2 ALA A 348 12.478 1.981 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 348 12.790 0.648 1.839 1.00 0.00 H new ATOM 144 N ALA A 349 15.108 1.306 -0.221 1.00 0.00 N ATOM 145 CA ALA A 349 16.034 0.558 -1.104 1.00 0.00 C ATOM 146 C ALA A 349 17.329 1.353 -1.223 1.00 0.00 C ATOM 147 O ALA A 349 18.396 0.819 -1.450 1.00 0.00 O ATOM 148 CB ALA A 349 15.382 0.454 -2.477 1.00 0.00 C ATOM 0 H ALA A 349 14.334 1.754 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 349 16.245 -0.435 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 349 16.040 -0.093 -3.152 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.432 -0.074 -2.390 1.00 0.00 H new ATOM 0 HB3 ALA A 349 15.206 1.454 -2.873 1.00 0.00 H new ATOM 154 N LEU A 350 17.226 2.637 -1.067 1.00 0.00 N ATOM 155 CA LEU A 350 18.413 3.510 -1.157 1.00 0.00 C ATOM 156 C LEU A 350 19.180 3.405 0.156 1.00 0.00 C ATOM 157 O LEU A 350 20.297 3.867 0.283 1.00 0.00 O ATOM 158 CB LEU A 350 17.910 4.934 -1.446 1.00 0.00 C ATOM 159 CG LEU A 350 17.624 5.717 -0.167 1.00 0.00 C ATOM 160 CD1 LEU A 350 17.318 7.163 -0.537 1.00 0.00 C ATOM 161 CD2 LEU A 350 16.416 5.104 0.524 1.00 0.00 C ATOM 0 H LEU A 350 16.351 3.125 -0.877 1.00 0.00 H new ATOM 0 HA LEU A 350 19.096 3.221 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 350 18.655 5.467 -2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 350 17.003 4.882 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 350 18.485 5.682 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 350 17.112 7.734 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 350 18.176 7.596 -1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 350 16.448 7.194 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 350 16.202 5.655 1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 350 15.553 5.154 -0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 350 16.626 4.063 0.768 1.00 0.00 H new ATOM 173 N SER A 351 18.571 2.784 1.130 1.00 0.00 N ATOM 174 CA SER A 351 19.228 2.611 2.465 1.00 0.00 C ATOM 175 C SER A 351 19.486 1.140 2.650 1.00 0.00 C ATOM 176 O SER A 351 19.829 0.667 3.706 1.00 0.00 O ATOM 177 CB SER A 351 18.303 3.118 3.567 1.00 0.00 C ATOM 178 OG SER A 351 18.830 2.744 4.833 1.00 0.00 O ATOM 0 H SER A 351 17.636 2.383 1.060 1.00 0.00 H new ATOM 0 HA SER A 351 20.159 3.176 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 351 18.207 4.202 3.506 1.00 0.00 H new ATOM 0 HB3 SER A 351 17.304 2.702 3.439 1.00 0.00 H new ATOM 0 HG SER A 351 19.595 2.145 4.705 1.00 0.00 H new ATOM 184 N ASP A 352 19.297 0.446 1.590 1.00 0.00 N ATOM 185 CA ASP A 352 19.474 -1.023 1.530 1.00 0.00 C ATOM 186 C ASP A 352 20.718 -1.299 0.749 1.00 0.00 C ATOM 187 O ASP A 352 21.054 -2.407 0.382 1.00 0.00 O ATOM 188 CB ASP A 352 18.280 -1.489 0.760 1.00 0.00 C ATOM 189 CG ASP A 352 18.124 -3.008 0.856 1.00 0.00 C ATOM 190 OD1 ASP A 352 17.509 -3.462 1.806 1.00 0.00 O ATOM 191 OD2 ASP A 352 18.621 -3.691 -0.024 1.00 0.00 O ATOM 0 H ASP A 352 19.008 0.857 0.702 1.00 0.00 H new ATOM 0 HA ASP A 352 19.558 -1.507 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 352 17.383 -1.003 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 352 18.380 -1.195 -0.285 1.00 0.00 H new ATOM 196 N LEU A 353 21.348 -0.246 0.477 1.00 0.00 N ATOM 197 CA LEU A 353 22.551 -0.206 -0.300 1.00 0.00 C ATOM 198 C LEU A 353 23.686 0.057 0.663 1.00 0.00 C ATOM 199 O LEU A 353 24.683 -0.626 0.726 1.00 0.00 O ATOM 200 CB LEU A 353 22.319 1.012 -1.161 1.00 0.00 C ATOM 201 CG LEU A 353 23.650 1.624 -1.619 1.00 0.00 C ATOM 202 CD1 LEU A 353 23.499 2.162 -3.025 1.00 0.00 C ATOM 203 CD2 LEU A 353 24.142 2.766 -0.684 1.00 0.00 C ATOM 0 H LEU A 353 21.044 0.674 0.795 1.00 0.00 H new ATOM 0 HA LEU A 353 22.780 -1.104 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 353 21.722 0.738 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.747 1.753 -0.602 1.00 0.00 H new ATOM 0 HG LEU A 353 24.397 0.831 -1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 353 24.444 2.597 -3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 353 23.222 1.350 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 353 22.723 2.927 -3.040 1.00 0.00 H new ATOM 0 HD21 LEU A 353 25.087 3.160 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 353 23.399 3.564 -0.662 1.00 0.00 H new ATOM 0 HD23 LEU A 353 24.285 2.375 0.323 1.00 0.00 H new ATOM 215 N GLU A 354 23.503 1.089 1.403 1.00 0.00 N ATOM 216 CA GLU A 354 24.494 1.507 2.389 1.00 0.00 C ATOM 217 C GLU A 354 24.852 0.318 3.249 1.00 0.00 C ATOM 218 O GLU A 354 25.958 0.148 3.719 1.00 0.00 O ATOM 219 CB GLU A 354 23.838 2.572 3.241 1.00 0.00 C ATOM 220 CG GLU A 354 22.669 1.938 3.984 1.00 0.00 C ATOM 221 CD GLU A 354 21.748 3.027 4.542 1.00 0.00 C ATOM 222 OE1 GLU A 354 21.714 4.103 3.967 1.00 0.00 O ATOM 223 OE2 GLU A 354 21.092 2.766 5.537 1.00 0.00 O ATOM 0 H GLU A 354 22.674 1.681 1.361 1.00 0.00 H new ATOM 0 HA GLU A 354 25.399 1.889 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 354 24.556 2.988 3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 354 23.490 3.396 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 354 22.110 1.288 3.311 1.00 0.00 H new ATOM 0 HG3 GLU A 354 23.040 1.313 4.796 1.00 0.00 H new ATOM 230 N ILE A 355 23.870 -0.479 3.455 1.00 0.00 N ATOM 231 CA ILE A 355 24.020 -1.693 4.295 1.00 0.00 C ATOM 232 C ILE A 355 24.866 -2.704 3.593 1.00 0.00 C ATOM 233 O ILE A 355 25.260 -3.706 4.158 1.00 0.00 O ATOM 234 CB ILE A 355 22.655 -2.364 4.507 1.00 0.00 C ATOM 235 CG1 ILE A 355 21.570 -1.320 4.527 1.00 0.00 C ATOM 236 CG2 ILE A 355 22.681 -3.131 5.798 1.00 0.00 C ATOM 237 CD1 ILE A 355 20.232 -1.959 4.941 1.00 0.00 C ATOM 0 H ILE A 355 22.935 -0.345 3.069 1.00 0.00 H new ATOM 0 HA ILE A 355 24.466 -1.382 5.240 1.00 0.00 H new ATOM 0 HB ILE A 355 22.448 -3.054 3.689 1.00 0.00 H new ATOM 0 HG12 ILE A 355 21.833 -0.524 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 355 21.475 -0.863 3.542 1.00 0.00 H new ATOM 0 HG21 ILE A 355 21.715 -3.611 5.956 1.00 0.00 H new ATOM 0 HG22 ILE A 355 23.461 -3.891 5.754 1.00 0.00 H new ATOM 0 HG23 ILE A 355 22.886 -2.448 6.623 1.00 0.00 H new ATOM 0 HD11 ILE A 355 19.453 -1.197 4.953 1.00 0.00 H new ATOM 0 HD12 ILE A 355 19.965 -2.739 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 355 20.329 -2.394 5.936 1.00 0.00 H new ATOM 249 N THR A 356 25.043 -2.505 2.339 1.00 0.00 N ATOM 250 CA THR A 356 25.756 -3.522 1.530 1.00 0.00 C ATOM 251 C THR A 356 26.802 -2.916 0.606 1.00 0.00 C ATOM 252 O THR A 356 27.560 -3.615 -0.036 1.00 0.00 O ATOM 253 CB THR A 356 24.691 -4.222 0.726 1.00 0.00 C ATOM 254 OG1 THR A 356 25.289 -5.077 -0.239 1.00 0.00 O ATOM 255 CG2 THR A 356 23.844 -3.154 0.045 1.00 0.00 C ATOM 0 H THR A 356 24.727 -1.681 1.827 1.00 0.00 H new ATOM 0 HA THR A 356 26.304 -4.202 2.182 1.00 0.00 H new ATOM 0 HB THR A 356 24.067 -4.838 1.373 1.00 0.00 H new ATOM 0 HG1 THR A 356 26.229 -4.827 -0.360 1.00 0.00 H new ATOM 0 HG21 THR A 356 23.062 -3.632 -0.546 1.00 0.00 H new ATOM 0 HG22 THR A 356 23.388 -2.515 0.801 1.00 0.00 H new ATOM 0 HG23 THR A 356 24.475 -2.551 -0.608 1.00 0.00 H new ATOM 263 N LEU A 357 26.872 -1.634 0.568 1.00 0.00 N ATOM 264 CA LEU A 357 27.893 -0.942 -0.270 1.00 0.00 C ATOM 265 C LEU A 357 28.981 -0.536 0.705 1.00 0.00 C ATOM 266 O LEU A 357 29.864 0.255 0.450 1.00 0.00 O ATOM 267 CB LEU A 357 27.239 0.277 -0.927 1.00 0.00 C ATOM 268 CG LEU A 357 28.271 1.152 -1.651 1.00 0.00 C ATOM 269 CD1 LEU A 357 29.223 0.281 -2.477 1.00 0.00 C ATOM 270 CD2 LEU A 357 27.539 2.122 -2.586 1.00 0.00 C ATOM 0 H LEU A 357 26.256 -1.010 1.090 1.00 0.00 H new ATOM 0 HA LEU A 357 28.300 -1.560 -1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 357 26.481 -0.055 -1.637 1.00 0.00 H new ATOM 0 HB3 LEU A 357 26.728 0.869 -0.168 1.00 0.00 H new ATOM 0 HG LEU A 357 28.849 1.705 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 357 29.949 0.916 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 357 29.745 -0.413 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 357 28.653 -0.281 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 357 28.267 2.747 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 357 26.961 1.556 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 357 26.868 2.753 -2.003 1.00 0.00 H new ATOM 282 N GLU A 358 28.870 -1.111 1.850 1.00 0.00 N ATOM 283 CA GLU A 358 29.813 -0.851 2.962 1.00 0.00 C ATOM 284 C GLU A 358 30.984 -1.836 2.881 1.00 0.00 C ATOM 285 O GLU A 358 31.703 -1.953 3.860 1.00 0.00 O ATOM 286 CB GLU A 358 29.056 -1.025 4.289 1.00 0.00 C ATOM 287 CG GLU A 358 27.987 -2.110 4.138 1.00 0.00 C ATOM 288 CD GLU A 358 28.636 -3.398 3.627 1.00 0.00 C ATOM 289 OE1 GLU A 358 29.257 -4.081 4.425 1.00 0.00 O ATOM 290 OE2 GLU A 358 28.501 -3.679 2.448 1.00 0.00 O ATOM 291 OXT GLU A 358 31.141 -2.456 1.841 1.00 0.00 O ATOM 0 H GLU A 358 28.134 -1.780 2.076 1.00 0.00 H new ATOM 0 HA GLU A 358 30.210 0.162 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 358 29.752 -1.296 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 358 28.592 -0.083 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 358 27.500 -2.291 5.096 1.00 0.00 H new ATOM 0 HG3 GLU A 358 27.214 -1.780 3.444 1.00 0.00 H new TER 298 GLU A 358