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 36:sc= 0.18 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -43:sc= 0.689 USER MOD Single : A 356 THR OG1 : rot -17:sc= 0.329! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 3.171 -2.231 4.407 1.00 0.00 N ATOM 2 CA SER A 339 1.796 -2.082 3.854 1.00 0.00 C ATOM 3 C SER A 339 1.797 -2.461 2.371 1.00 0.00 C ATOM 4 O SER A 339 0.932 -3.174 1.903 1.00 0.00 O ATOM 5 CB SER A 339 1.339 -0.632 4.008 1.00 0.00 C ATOM 6 OG SER A 339 1.458 -0.244 5.370 1.00 0.00 O ATOM 0 HA SER A 339 1.115 -2.738 4.396 1.00 0.00 H new ATOM 0 HB2 SER A 339 1.943 0.021 3.378 1.00 0.00 H new ATOM 0 HB3 SER A 339 0.306 -0.527 3.677 1.00 0.00 H new ATOM 0 HG SER A 339 2.248 -0.670 5.764 1.00 0.00 H new ATOM 14 N ASP A 340 2.760 -1.988 1.627 1.00 0.00 N ATOM 15 CA ASP A 340 2.814 -2.321 0.174 1.00 0.00 C ATOM 16 C ASP A 340 4.247 -2.163 -0.334 1.00 0.00 C ATOM 17 O ASP A 340 4.706 -2.919 -1.164 1.00 0.00 O ATOM 18 CB ASP A 340 1.893 -1.376 -0.602 1.00 0.00 C ATOM 19 CG ASP A 340 0.507 -1.367 0.044 1.00 0.00 C ATOM 20 OD1 ASP A 340 -0.214 -2.335 -0.133 1.00 0.00 O ATOM 21 OD2 ASP A 340 0.189 -0.391 0.704 1.00 0.00 O ATOM 0 H ASP A 340 3.512 -1.385 1.962 1.00 0.00 H new ATOM 0 HA ASP A 340 2.487 -3.350 0.027 1.00 0.00 H new ATOM 0 HB2 ASP A 340 2.310 -0.369 -0.607 1.00 0.00 H new ATOM 0 HB3 ASP A 340 1.819 -1.696 -1.641 1.00 0.00 H new ATOM 26 N LYS A 341 4.958 -1.192 0.168 1.00 0.00 N ATOM 27 CA LYS A 341 6.357 -0.976 -0.264 1.00 0.00 C ATOM 28 C LYS A 341 6.428 -0.702 -1.757 1.00 0.00 C ATOM 29 O LYS A 341 5.724 0.133 -2.266 1.00 0.00 O ATOM 30 CB LYS A 341 7.185 -2.199 0.079 1.00 0.00 C ATOM 31 CG LYS A 341 6.809 -2.691 1.484 1.00 0.00 C ATOM 32 CD LYS A 341 8.062 -3.096 2.267 1.00 0.00 C ATOM 33 CE LYS A 341 7.683 -3.463 3.708 1.00 0.00 C ATOM 34 NZ LYS A 341 8.664 -4.450 4.241 1.00 0.00 N ATOM 0 H LYS A 341 4.620 -0.533 0.869 1.00 0.00 H new ATOM 0 HA LYS A 341 6.754 -0.106 0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 341 7.010 -2.987 -0.653 1.00 0.00 H new ATOM 0 HB3 LYS A 341 8.247 -1.956 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 341 6.277 -1.905 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 341 6.131 -3.541 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 341 8.546 -3.944 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 341 8.781 -2.277 2.268 1.00 0.00 H new ATOM 0 HE2 LYS A 341 7.674 -2.569 4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 341 6.677 -3.882 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 8.409 -4.700 5.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 8.652 -5.306 3.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 9.617 -4.034 4.228 1.00 0.00 H new ATOM 48 N GLU A 342 7.285 -1.428 -2.428 1.00 0.00 N ATOM 49 CA GLU A 342 7.505 -1.306 -3.905 1.00 0.00 C ATOM 50 C GLU A 342 7.055 0.061 -4.429 1.00 0.00 C ATOM 51 O GLU A 342 7.849 0.935 -4.715 1.00 0.00 O ATOM 52 CB GLU A 342 6.747 -2.434 -4.639 1.00 0.00 C ATOM 53 CG GLU A 342 5.692 -3.023 -3.720 1.00 0.00 C ATOM 54 CD GLU A 342 4.829 -4.022 -4.493 1.00 0.00 C ATOM 55 OE1 GLU A 342 5.274 -5.144 -4.673 1.00 0.00 O ATOM 56 OE2 GLU A 342 3.738 -3.649 -4.892 1.00 0.00 O ATOM 0 H GLU A 342 7.872 -2.137 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 342 8.574 -1.399 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 342 6.279 -2.043 -5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 342 7.445 -3.210 -4.952 1.00 0.00 H new ATOM 0 HG2 GLU A 342 6.169 -3.519 -2.875 1.00 0.00 H new ATOM 0 HG3 GLU A 342 5.067 -2.228 -3.312 1.00 0.00 H new ATOM 63 N VAL A 343 5.779 0.223 -4.561 1.00 0.00 N ATOM 64 CA VAL A 343 5.213 1.505 -5.075 1.00 0.00 C ATOM 65 C VAL A 343 5.009 2.472 -3.948 1.00 0.00 C ATOM 66 O VAL A 343 4.110 3.286 -3.956 1.00 0.00 O ATOM 67 CB VAL A 343 3.903 1.188 -5.788 1.00 0.00 C ATOM 68 CG1 VAL A 343 2.784 0.920 -4.769 1.00 0.00 C ATOM 69 CG2 VAL A 343 3.509 2.340 -6.724 1.00 0.00 C ATOM 0 H VAL A 343 5.084 -0.488 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 343 5.901 1.976 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 343 4.047 0.288 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 343 1.857 0.696 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 343 3.059 0.072 -4.142 1.00 0.00 H new ATOM 0 HG13 VAL A 343 2.642 1.802 -4.145 1.00 0.00 H new ATOM 0 HG21 VAL A 343 2.572 2.097 -7.225 1.00 0.00 H new ATOM 0 HG22 VAL A 343 3.384 3.254 -6.143 1.00 0.00 H new ATOM 0 HG23 VAL A 343 4.291 2.487 -7.469 1.00 0.00 H new ATOM 79 N ASP A 344 5.837 2.379 -2.973 1.00 0.00 N ATOM 80 CA ASP A 344 5.680 3.279 -1.825 1.00 0.00 C ATOM 81 C ASP A 344 6.882 3.199 -0.904 1.00 0.00 C ATOM 82 O ASP A 344 7.803 2.444 -1.135 1.00 0.00 O ATOM 83 CB ASP A 344 4.410 2.830 -1.143 1.00 0.00 C ATOM 84 CG ASP A 344 4.265 3.468 0.241 1.00 0.00 C ATOM 85 OD1 ASP A 344 4.463 4.668 0.342 1.00 0.00 O ATOM 86 OD2 ASP A 344 3.952 2.748 1.174 1.00 0.00 O ATOM 0 H ASP A 344 6.615 1.721 -2.918 1.00 0.00 H new ATOM 0 HA ASP A 344 5.616 4.325 -2.125 1.00 0.00 H new ATOM 0 HB2 ASP A 344 3.551 3.095 -1.759 1.00 0.00 H new ATOM 0 HB3 ASP A 344 4.411 1.744 -1.047 1.00 0.00 H new ATOM 91 N GLU A 345 6.872 3.991 0.132 1.00 0.00 N ATOM 92 CA GLU A 345 7.991 4.003 1.084 1.00 0.00 C ATOM 93 C GLU A 345 9.290 4.358 0.362 1.00 0.00 C ATOM 94 O GLU A 345 9.492 4.033 -0.790 1.00 0.00 O ATOM 95 CB GLU A 345 8.096 2.633 1.697 1.00 0.00 C ATOM 96 CG GLU A 345 6.707 2.151 2.114 1.00 0.00 C ATOM 97 CD GLU A 345 6.841 0.917 3.008 1.00 0.00 C ATOM 98 OE1 GLU A 345 7.647 0.060 2.684 1.00 0.00 O ATOM 99 OE2 GLU A 345 6.135 0.849 4.000 1.00 0.00 O ATOM 0 H GLU A 345 6.116 4.639 0.353 1.00 0.00 H new ATOM 0 HA GLU A 345 7.819 4.749 1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 345 8.535 1.936 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 345 8.758 2.660 2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 345 6.180 2.943 2.646 1.00 0.00 H new ATOM 0 HG3 GLU A 345 6.114 1.911 1.232 1.00 0.00 H new ATOM 106 N VAL A 346 10.170 5.027 1.045 1.00 0.00 N ATOM 107 CA VAL A 346 11.472 5.425 0.427 1.00 0.00 C ATOM 108 C VAL A 346 12.540 5.540 1.505 1.00 0.00 C ATOM 109 O VAL A 346 13.699 5.783 1.238 1.00 0.00 O ATOM 110 CB VAL A 346 11.293 6.770 -0.305 1.00 0.00 C ATOM 111 CG1 VAL A 346 12.648 7.447 -0.516 1.00 0.00 C ATOM 112 CG2 VAL A 346 10.624 6.539 -1.667 1.00 0.00 C ATOM 0 H VAL A 346 10.047 5.320 2.014 1.00 0.00 H new ATOM 0 HA VAL A 346 11.788 4.668 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 346 10.663 7.415 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 346 12.504 8.395 -1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 346 13.118 7.629 0.450 1.00 0.00 H new ATOM 0 HG13 VAL A 346 13.289 6.800 -1.115 1.00 0.00 H new ATOM 0 HG21 VAL A 346 10.501 7.494 -2.178 1.00 0.00 H new ATOM 0 HG22 VAL A 346 11.248 5.881 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 346 9.647 6.078 -1.519 1.00 0.00 H new ATOM 122 N ASP A 347 12.154 5.362 2.709 1.00 0.00 N ATOM 123 CA ASP A 347 13.118 5.454 3.833 1.00 0.00 C ATOM 124 C ASP A 347 13.664 4.077 4.118 1.00 0.00 C ATOM 125 O ASP A 347 14.289 3.822 5.129 1.00 0.00 O ATOM 126 CB ASP A 347 12.364 5.981 5.042 1.00 0.00 C ATOM 127 CG ASP A 347 13.291 6.808 5.940 1.00 0.00 C ATOM 128 OD1 ASP A 347 14.026 7.623 5.408 1.00 0.00 O ATOM 129 OD2 ASP A 347 13.249 6.611 7.143 1.00 0.00 O ATOM 0 H ASP A 347 11.194 5.152 2.983 1.00 0.00 H new ATOM 0 HA ASP A 347 13.948 6.119 3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 347 11.525 6.594 4.714 1.00 0.00 H new ATOM 0 HB3 ASP A 347 11.948 5.148 5.609 1.00 0.00 H new ATOM 134 N ALA A 348 13.450 3.216 3.206 1.00 0.00 N ATOM 135 CA ALA A 348 13.952 1.834 3.315 1.00 0.00 C ATOM 136 C ALA A 348 14.861 1.640 2.120 1.00 0.00 C ATOM 137 O ALA A 348 15.607 0.693 2.020 1.00 0.00 O ATOM 138 CB ALA A 348 12.763 0.896 3.264 1.00 0.00 C ATOM 0 H ALA A 348 12.928 3.409 2.351 1.00 0.00 H new ATOM 0 HA ALA A 348 14.493 1.638 4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 348 13.109 -0.135 3.343 1.00 0.00 H new ATOM 0 HB2 ALA A 348 12.089 1.117 4.092 1.00 0.00 H new ATOM 0 HB3 ALA A 348 12.234 1.030 2.320 1.00 0.00 H new ATOM 144 N ALA A 349 14.793 2.587 1.227 1.00 0.00 N ATOM 145 CA ALA A 349 15.629 2.575 0.007 1.00 0.00 C ATOM 146 C ALA A 349 17.045 2.988 0.390 1.00 0.00 C ATOM 147 O ALA A 349 18.023 2.524 -0.161 1.00 0.00 O ATOM 148 CB ALA A 349 15.052 3.596 -0.964 1.00 0.00 C ATOM 0 H ALA A 349 14.171 3.392 1.300 1.00 0.00 H new ATOM 0 HA ALA A 349 15.645 1.585 -0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 349 15.650 3.609 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.024 3.326 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 349 15.068 4.584 -0.505 1.00 0.00 H new ATOM 154 N LEU A 350 17.149 3.861 1.345 1.00 0.00 N ATOM 155 CA LEU A 350 18.472 4.323 1.804 1.00 0.00 C ATOM 156 C LEU A 350 19.142 3.166 2.538 1.00 0.00 C ATOM 157 O LEU A 350 20.306 3.210 2.883 1.00 0.00 O ATOM 158 CB LEU A 350 18.240 5.551 2.699 1.00 0.00 C ATOM 159 CG LEU A 350 18.054 5.171 4.165 1.00 0.00 C ATOM 160 CD1 LEU A 350 18.014 6.444 5.003 1.00 0.00 C ATOM 161 CD2 LEU A 350 16.739 4.424 4.318 1.00 0.00 C ATOM 0 H LEU A 350 16.357 4.279 1.833 1.00 0.00 H new ATOM 0 HA LEU A 350 19.132 4.619 0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 350 19.087 6.231 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 350 17.359 6.090 2.351 1.00 0.00 H new ATOM 0 HG LEU A 350 18.877 4.537 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 350 17.881 6.184 6.053 1.00 0.00 H new ATOM 0 HD12 LEU A 350 18.949 6.990 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 350 17.183 7.069 4.676 1.00 0.00 H new ATOM 0 HD21 LEU A 350 16.597 4.148 5.363 1.00 0.00 H new ATOM 0 HD22 LEU A 350 15.917 5.064 3.997 1.00 0.00 H new ATOM 0 HD23 LEU A 350 16.759 3.523 3.704 1.00 0.00 H new ATOM 173 N SER A 351 18.388 2.127 2.769 1.00 0.00 N ATOM 174 CA SER A 351 18.923 0.923 3.479 1.00 0.00 C ATOM 175 C SER A 351 18.884 -0.219 2.502 1.00 0.00 C ATOM 176 O SER A 351 18.857 -1.384 2.847 1.00 0.00 O ATOM 177 CB SER A 351 18.027 0.596 4.660 1.00 0.00 C ATOM 178 OG SER A 351 18.583 -0.488 5.392 1.00 0.00 O ATOM 0 H SER A 351 17.409 2.057 2.493 1.00 0.00 H new ATOM 0 HA SER A 351 19.936 1.100 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 351 17.924 1.469 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 351 17.027 0.338 4.311 1.00 0.00 H new ATOM 0 HG SER A 351 18.904 -1.173 4.769 1.00 0.00 H new ATOM 184 N ASP A 352 18.826 0.148 1.278 1.00 0.00 N ATOM 185 CA ASP A 352 18.721 -0.820 0.170 1.00 0.00 C ATOM 186 C ASP A 352 19.844 -0.572 -0.787 1.00 0.00 C ATOM 187 O ASP A 352 19.878 -1.032 -1.910 1.00 0.00 O ATOM 188 CB ASP A 352 17.415 -0.486 -0.484 1.00 0.00 C ATOM 189 CG ASP A 352 16.949 -1.623 -1.394 1.00 0.00 C ATOM 190 OD1 ASP A 352 17.676 -2.596 -1.514 1.00 0.00 O ATOM 191 OD2 ASP A 352 15.873 -1.502 -1.957 1.00 0.00 O ATOM 0 H ASP A 352 18.848 1.123 0.979 1.00 0.00 H new ATOM 0 HA ASP A 352 18.771 -1.860 0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 352 16.661 -0.295 0.279 1.00 0.00 H new ATOM 0 HB3 ASP A 352 17.520 0.430 -1.066 1.00 0.00 H new ATOM 196 N LEU A 353 20.719 0.207 -0.328 1.00 0.00 N ATOM 197 CA LEU A 353 21.876 0.636 -1.098 1.00 0.00 C ATOM 198 C LEU A 353 23.096 0.158 -0.329 1.00 0.00 C ATOM 199 O LEU A 353 23.890 -0.634 -0.771 1.00 0.00 O ATOM 200 CB LEU A 353 21.758 2.140 -1.077 1.00 0.00 C ATOM 201 CG LEU A 353 23.105 2.807 -1.193 1.00 0.00 C ATOM 202 CD1 LEU A 353 23.686 2.516 -2.566 1.00 0.00 C ATOM 203 CD2 LEU A 353 22.895 4.280 -0.998 1.00 0.00 C ATOM 0 H LEU A 353 20.684 0.595 0.614 1.00 0.00 H new ATOM 0 HA LEU A 353 21.945 0.259 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 353 21.119 2.466 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.275 2.454 -0.152 1.00 0.00 H new ATOM 0 HG LEU A 353 23.804 2.434 -0.445 1.00 0.00 H new ATOM 0 HD11 LEU A 353 24.661 2.995 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 353 23.798 1.439 -2.693 1.00 0.00 H new ATOM 0 HD13 LEU A 353 23.017 2.904 -3.334 1.00 0.00 H new ATOM 0 HD21 LEU A 353 23.851 4.797 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 353 22.216 4.655 -1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 353 22.465 4.459 -0.013 1.00 0.00 H new ATOM 215 N GLU A 354 23.212 0.665 0.845 1.00 0.00 N ATOM 216 CA GLU A 354 24.324 0.306 1.729 1.00 0.00 C ATOM 217 C GLU A 354 24.338 -1.185 1.911 1.00 0.00 C ATOM 218 O GLU A 354 25.355 -1.814 2.111 1.00 0.00 O ATOM 219 CB GLU A 354 24.064 0.963 3.063 1.00 0.00 C ATOM 220 CG GLU A 354 22.674 0.564 3.534 1.00 0.00 C ATOM 221 CD GLU A 354 22.306 1.370 4.782 1.00 0.00 C ATOM 222 OE1 GLU A 354 22.104 2.566 4.652 1.00 0.00 O ATOM 223 OE2 GLU A 354 22.231 0.777 5.846 1.00 0.00 O ATOM 0 H GLU A 354 22.557 1.338 1.243 1.00 0.00 H new ATOM 0 HA GLU A 354 25.278 0.629 1.313 1.00 0.00 H new ATOM 0 HB2 GLU A 354 24.814 0.653 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 354 24.137 2.047 2.972 1.00 0.00 H new ATOM 0 HG2 GLU A 354 21.945 0.744 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 354 22.646 -0.503 3.756 1.00 0.00 H new ATOM 230 N ILE A 355 23.184 -1.724 1.878 1.00 0.00 N ATOM 231 CA ILE A 355 22.993 -3.150 2.079 1.00 0.00 C ATOM 232 C ILE A 355 23.499 -3.918 0.899 1.00 0.00 C ATOM 233 O ILE A 355 23.849 -5.079 0.972 1.00 0.00 O ATOM 234 CB ILE A 355 21.477 -3.346 2.249 1.00 0.00 C ATOM 235 CG1 ILE A 355 21.247 -4.517 3.152 1.00 0.00 C ATOM 236 CG2 ILE A 355 20.754 -3.579 0.921 1.00 0.00 C ATOM 237 CD1 ILE A 355 21.661 -4.186 4.603 1.00 0.00 C ATOM 0 H ILE A 355 22.321 -1.206 1.711 1.00 0.00 H new ATOM 0 HA ILE A 355 23.542 -3.513 2.948 1.00 0.00 H new ATOM 0 HB ILE A 355 21.069 -2.429 2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 355 20.195 -4.800 3.126 1.00 0.00 H new ATOM 0 HG13 ILE A 355 21.817 -5.374 2.794 1.00 0.00 H new ATOM 0 HG21 ILE A 355 19.688 -3.710 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 355 20.906 -2.719 0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 355 21.152 -4.473 0.442 1.00 0.00 H new ATOM 0 HD11 ILE A 355 21.484 -5.053 5.239 1.00 0.00 H new ATOM 0 HD12 ILE A 355 22.719 -3.927 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 355 21.072 -3.344 4.966 1.00 0.00 H new ATOM 249 N THR A 356 23.459 -3.269 -0.187 1.00 0.00 N ATOM 250 CA THR A 356 23.858 -3.885 -1.482 1.00 0.00 C ATOM 251 C THR A 356 25.126 -3.246 -2.039 1.00 0.00 C ATOM 252 O THR A 356 25.717 -3.724 -2.987 1.00 0.00 O ATOM 253 CB THR A 356 22.718 -3.663 -2.450 1.00 0.00 C ATOM 254 OG1 THR A 356 23.093 -4.093 -3.752 1.00 0.00 O ATOM 255 CG2 THR A 356 22.372 -2.177 -2.459 1.00 0.00 C ATOM 0 H THR A 356 23.158 -2.297 -0.258 1.00 0.00 H new ATOM 0 HA THR A 356 24.064 -4.945 -1.335 1.00 0.00 H new ATOM 0 HB THR A 356 21.847 -4.241 -2.140 1.00 0.00 H new ATOM 0 HG1 THR A 356 24.067 -4.186 -3.798 1.00 0.00 H new ATOM 0 HG21 THR A 356 21.551 -1.999 -3.153 1.00 0.00 H new ATOM 0 HG22 THR A 356 22.075 -1.867 -1.457 1.00 0.00 H new ATOM 0 HG23 THR A 356 23.243 -1.602 -2.773 1.00 0.00 H new ATOM 263 N LEU A 357 25.542 -2.182 -1.441 1.00 0.00 N ATOM 264 CA LEU A 357 26.778 -1.468 -1.875 1.00 0.00 C ATOM 265 C LEU A 357 27.803 -1.730 -0.794 1.00 0.00 C ATOM 266 O LEU A 357 28.961 -1.370 -0.857 1.00 0.00 O ATOM 267 CB LEU A 357 26.473 0.033 -1.990 1.00 0.00 C ATOM 268 CG LEU A 357 27.759 0.827 -2.229 1.00 0.00 C ATOM 269 CD1 LEU A 357 28.548 0.206 -3.387 1.00 0.00 C ATOM 270 CD2 LEU A 357 27.397 2.275 -2.575 1.00 0.00 C ATOM 0 H LEU A 357 25.069 -1.757 -0.644 1.00 0.00 H new ATOM 0 HA LEU A 357 27.142 -1.807 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 357 25.775 0.206 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 357 25.988 0.382 -1.078 1.00 0.00 H new ATOM 0 HG LEU A 357 28.372 0.804 -1.328 1.00 0.00 H new ATOM 0 HD11 LEU A 357 29.462 0.776 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 357 28.803 -0.825 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 357 27.941 0.225 -4.292 1.00 0.00 H new ATOM 0 HD21 LEU A 357 28.309 2.847 -2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 357 26.783 2.291 -3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 357 26.841 2.718 -1.749 1.00 0.00 H new ATOM 282 N GLU A 358 27.333 -2.396 0.196 1.00 0.00 N ATOM 283 CA GLU A 358 28.164 -2.785 1.360 1.00 0.00 C ATOM 284 C GLU A 358 29.557 -3.225 0.886 1.00 0.00 C ATOM 285 O GLU A 358 30.483 -3.145 1.677 1.00 0.00 O ATOM 286 CB GLU A 358 27.465 -3.942 2.091 1.00 0.00 C ATOM 287 CG GLU A 358 26.722 -4.821 1.081 1.00 0.00 C ATOM 288 CD GLU A 358 27.709 -5.348 0.038 1.00 0.00 C ATOM 289 OE1 GLU A 358 28.526 -6.182 0.393 1.00 0.00 O ATOM 290 OE2 GLU A 358 27.633 -4.908 -1.097 1.00 0.00 O ATOM 291 OXT GLU A 358 29.670 -3.633 -0.258 1.00 0.00 O ATOM 0 H GLU A 358 26.363 -2.705 0.257 1.00 0.00 H new ATOM 0 HA GLU A 358 28.282 -1.937 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 358 28.199 -4.537 2.634 1.00 0.00 H new ATOM 0 HB3 GLU A 358 26.765 -3.548 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 358 26.239 -5.653 1.593 1.00 0.00 H new ATOM 0 HG3 GLU A 358 25.934 -4.247 0.594 1.00 0.00 H new TER 298 GLU A 358