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= 0.00399 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -51:sc= 0.619 USER MOD Single : A 356 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 3.111 -4.550 -1.883 1.00 0.00 N ATOM 2 CA SER A 339 1.774 -4.283 -2.485 1.00 0.00 C ATOM 3 C SER A 339 1.611 -2.780 -2.718 1.00 0.00 C ATOM 4 O SER A 339 1.134 -2.351 -3.750 1.00 0.00 O ATOM 5 CB SER A 339 0.680 -4.773 -1.536 1.00 0.00 C ATOM 6 OG SER A 339 0.671 -6.194 -1.524 1.00 0.00 O ATOM 0 HA SER A 339 1.692 -4.809 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 339 0.856 -4.390 -0.531 1.00 0.00 H new ATOM 0 HB3 SER A 339 -0.291 -4.394 -1.855 1.00 0.00 H new ATOM 0 HG SER A 339 1.589 -6.528 -1.605 1.00 0.00 H new ATOM 14 N ASP A 340 2.003 -1.976 -1.767 1.00 0.00 N ATOM 15 CA ASP A 340 1.869 -0.501 -1.936 1.00 0.00 C ATOM 16 C ASP A 340 2.821 0.213 -0.980 1.00 0.00 C ATOM 17 O ASP A 340 3.591 -0.406 -0.273 1.00 0.00 O ATOM 18 CB ASP A 340 0.429 -0.078 -1.634 1.00 0.00 C ATOM 19 CG ASP A 340 -0.490 -0.545 -2.764 1.00 0.00 C ATOM 20 OD1 ASP A 340 -0.954 -1.671 -2.696 1.00 0.00 O ATOM 21 OD2 ASP A 340 -0.714 0.232 -3.678 1.00 0.00 O ATOM 0 H ASP A 340 2.410 -2.277 -0.881 1.00 0.00 H new ATOM 0 HA ASP A 340 2.118 -0.232 -2.963 1.00 0.00 H new ATOM 0 HB2 ASP A 340 0.104 -0.508 -0.686 1.00 0.00 H new ATOM 0 HB3 ASP A 340 0.372 1.005 -1.529 1.00 0.00 H new ATOM 26 N LYS A 341 2.779 1.516 -0.963 1.00 0.00 N ATOM 27 CA LYS A 341 3.684 2.291 -0.069 1.00 0.00 C ATOM 28 C LYS A 341 2.964 2.571 1.251 1.00 0.00 C ATOM 29 O LYS A 341 1.989 1.928 1.576 1.00 0.00 O ATOM 30 CB LYS A 341 4.054 3.615 -0.767 1.00 0.00 C ATOM 31 CG LYS A 341 5.227 3.403 -1.737 1.00 0.00 C ATOM 32 CD LYS A 341 4.749 2.740 -3.040 1.00 0.00 C ATOM 33 CE LYS A 341 3.818 3.684 -3.815 1.00 0.00 C ATOM 34 NZ LYS A 341 4.001 3.466 -5.278 1.00 0.00 N ATOM 0 H LYS A 341 2.152 2.082 -1.535 1.00 0.00 H new ATOM 0 HA LYS A 341 4.593 1.726 0.137 1.00 0.00 H new ATOM 0 HB2 LYS A 341 3.191 4.000 -1.310 1.00 0.00 H new ATOM 0 HB3 LYS A 341 4.322 4.364 -0.021 1.00 0.00 H new ATOM 0 HG2 LYS A 341 5.695 4.361 -1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 341 5.987 2.780 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 341 5.608 2.479 -3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 341 4.226 1.811 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 341 2.781 3.500 -3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 341 4.038 4.721 -3.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 3.372 4.104 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 4.989 3.662 -5.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 3.770 2.480 -5.514 1.00 0.00 H new ATOM 48 N GLU A 342 3.447 3.522 2.008 1.00 0.00 N ATOM 49 CA GLU A 342 2.831 3.857 3.309 1.00 0.00 C ATOM 50 C GLU A 342 3.065 2.686 4.243 1.00 0.00 C ATOM 51 O GLU A 342 3.773 2.768 5.227 1.00 0.00 O ATOM 52 CB GLU A 342 1.336 4.101 3.124 1.00 0.00 C ATOM 53 CG GLU A 342 1.074 4.745 1.753 1.00 0.00 C ATOM 54 CD GLU A 342 -0.093 5.738 1.840 1.00 0.00 C ATOM 55 OE1 GLU A 342 0.028 6.701 2.579 1.00 0.00 O ATOM 56 OE2 GLU A 342 -1.085 5.516 1.166 1.00 0.00 O ATOM 0 H GLU A 342 4.260 4.088 1.766 1.00 0.00 H new ATOM 0 HA GLU A 342 3.272 4.763 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 342 0.793 3.159 3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 342 0.964 4.750 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 342 1.971 5.259 1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 342 0.847 3.972 1.019 1.00 0.00 H new ATOM 63 N VAL A 343 2.487 1.588 3.896 1.00 0.00 N ATOM 64 CA VAL A 343 2.662 0.350 4.696 1.00 0.00 C ATOM 65 C VAL A 343 4.070 -0.116 4.532 1.00 0.00 C ATOM 66 O VAL A 343 4.477 -1.118 5.080 1.00 0.00 O ATOM 67 CB VAL A 343 1.673 -0.714 4.212 1.00 0.00 C ATOM 68 CG1 VAL A 343 2.106 -1.256 2.845 1.00 0.00 C ATOM 69 CG2 VAL A 343 1.609 -1.865 5.221 1.00 0.00 C ATOM 0 H VAL A 343 1.888 1.487 3.077 1.00 0.00 H new ATOM 0 HA VAL A 343 2.465 0.539 5.751 1.00 0.00 H new ATOM 0 HB VAL A 343 0.687 -0.258 4.120 1.00 0.00 H new ATOM 0 HG11 VAL A 343 1.395 -2.012 2.511 1.00 0.00 H new ATOM 0 HG12 VAL A 343 2.134 -0.440 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 343 3.097 -1.702 2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 343 0.903 -2.618 4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 343 2.597 -2.314 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 343 1.281 -1.483 6.188 1.00 0.00 H new ATOM 79 N ASP A 344 4.806 0.617 3.773 1.00 0.00 N ATOM 80 CA ASP A 344 6.207 0.244 3.521 1.00 0.00 C ATOM 81 C ASP A 344 6.860 1.266 2.596 1.00 0.00 C ATOM 82 O ASP A 344 6.226 2.174 2.096 1.00 0.00 O ATOM 83 CB ASP A 344 6.165 -1.124 2.870 1.00 0.00 C ATOM 84 CG ASP A 344 7.498 -1.460 2.192 1.00 0.00 C ATOM 85 OD1 ASP A 344 7.708 -0.998 1.083 1.00 0.00 O ATOM 86 OD2 ASP A 344 8.284 -2.174 2.793 1.00 0.00 O ATOM 0 H ASP A 344 4.494 1.470 3.309 1.00 0.00 H new ATOM 0 HA ASP A 344 6.793 0.222 4.440 1.00 0.00 H new ATOM 0 HB2 ASP A 344 5.936 -1.880 3.621 1.00 0.00 H new ATOM 0 HB3 ASP A 344 5.362 -1.154 2.133 1.00 0.00 H new ATOM 91 N GLU A 345 8.134 1.122 2.388 1.00 0.00 N ATOM 92 CA GLU A 345 8.883 2.062 1.528 1.00 0.00 C ATOM 93 C GLU A 345 9.931 1.301 0.725 1.00 0.00 C ATOM 94 O GLU A 345 10.328 0.206 1.073 1.00 0.00 O ATOM 95 CB GLU A 345 9.579 3.061 2.434 1.00 0.00 C ATOM 96 CG GLU A 345 8.548 3.732 3.349 1.00 0.00 C ATOM 97 CD GLU A 345 9.107 5.055 3.881 1.00 0.00 C ATOM 98 OE1 GLU A 345 10.280 5.088 4.213 1.00 0.00 O ATOM 99 OE2 GLU A 345 8.351 6.010 3.947 1.00 0.00 O ATOM 0 H GLU A 345 8.698 0.373 2.789 1.00 0.00 H new ATOM 0 HA GLU A 345 8.206 2.567 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 345 10.338 2.557 3.033 1.00 0.00 H new ATOM 0 HB3 GLU A 345 10.093 3.813 1.836 1.00 0.00 H new ATOM 0 HG2 GLU A 345 7.624 3.912 2.800 1.00 0.00 H new ATOM 0 HG3 GLU A 345 8.301 3.071 4.180 1.00 0.00 H new ATOM 106 N VAL A 346 10.386 1.886 -0.345 1.00 0.00 N ATOM 107 CA VAL A 346 11.425 1.231 -1.199 1.00 0.00 C ATOM 108 C VAL A 346 12.486 2.262 -1.531 1.00 0.00 C ATOM 109 O VAL A 346 13.466 1.996 -2.197 1.00 0.00 O ATOM 110 CB VAL A 346 10.757 0.686 -2.474 1.00 0.00 C ATOM 111 CG1 VAL A 346 11.786 0.532 -3.594 1.00 0.00 C ATOM 112 CG2 VAL A 346 10.125 -0.677 -2.178 1.00 0.00 C ATOM 0 H VAL A 346 10.081 2.803 -0.672 1.00 0.00 H new ATOM 0 HA VAL A 346 11.894 0.396 -0.678 1.00 0.00 H new ATOM 0 HB VAL A 346 9.989 1.390 -2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 346 11.296 0.146 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 346 12.231 1.502 -3.815 1.00 0.00 H new ATOM 0 HG13 VAL A 346 12.566 -0.162 -3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 346 9.652 -1.063 -3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 346 10.897 -1.372 -1.848 1.00 0.00 H new ATOM 0 HG23 VAL A 346 9.375 -0.568 -1.394 1.00 0.00 H new ATOM 122 N ASP A 347 12.291 3.432 -1.054 1.00 0.00 N ATOM 123 CA ASP A 347 13.263 4.525 -1.305 1.00 0.00 C ATOM 124 C ASP A 347 14.238 4.576 -0.155 1.00 0.00 C ATOM 125 O ASP A 347 15.003 5.505 0.011 1.00 0.00 O ATOM 126 CB ASP A 347 12.483 5.827 -1.396 1.00 0.00 C ATOM 127 CG ASP A 347 13.173 6.804 -2.355 1.00 0.00 C ATOM 128 OD1 ASP A 347 13.332 6.453 -3.513 1.00 0.00 O ATOM 129 OD2 ASP A 347 13.531 7.883 -1.914 1.00 0.00 O ATOM 0 H ASP A 347 11.486 3.697 -0.487 1.00 0.00 H new ATOM 0 HA ASP A 347 13.816 4.362 -2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 347 11.469 5.626 -1.741 1.00 0.00 H new ATOM 0 HB3 ASP A 347 12.400 6.277 -0.407 1.00 0.00 H new ATOM 134 N ALA A 348 14.226 3.550 0.599 1.00 0.00 N ATOM 135 CA ALA A 348 15.151 3.415 1.741 1.00 0.00 C ATOM 136 C ALA A 348 15.885 2.112 1.502 1.00 0.00 C ATOM 137 O ALA A 348 16.864 1.791 2.138 1.00 0.00 O ATOM 138 CB ALA A 348 14.336 3.365 3.018 1.00 0.00 C ATOM 0 H ALA A 348 13.592 2.761 0.476 1.00 0.00 H new ATOM 0 HA ALA A 348 15.853 4.243 1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 348 15.005 3.265 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 348 13.756 4.283 3.116 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.660 2.511 2.985 1.00 0.00 H new ATOM 144 N ALA A 349 15.395 1.385 0.536 1.00 0.00 N ATOM 145 CA ALA A 349 16.002 0.097 0.140 1.00 0.00 C ATOM 146 C ALA A 349 17.259 0.395 -0.669 1.00 0.00 C ATOM 147 O ALA A 349 18.229 -0.335 -0.646 1.00 0.00 O ATOM 148 CB ALA A 349 15.001 -0.642 -0.738 1.00 0.00 C ATOM 0 H ALA A 349 14.572 1.645 -0.008 1.00 0.00 H new ATOM 0 HA ALA A 349 16.255 -0.507 1.011 1.00 0.00 H new ATOM 0 HB1 ALA A 349 15.424 -1.598 -1.046 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.083 -0.815 -0.177 1.00 0.00 H new ATOM 0 HB3 ALA A 349 14.779 -0.042 -1.621 1.00 0.00 H new ATOM 154 N LEU A 350 17.236 1.483 -1.379 1.00 0.00 N ATOM 155 CA LEU A 350 18.401 1.880 -2.193 1.00 0.00 C ATOM 156 C LEU A 350 19.506 2.333 -1.245 1.00 0.00 C ATOM 157 O LEU A 350 20.638 2.544 -1.632 1.00 0.00 O ATOM 158 CB LEU A 350 17.935 2.993 -3.145 1.00 0.00 C ATOM 159 CG LEU A 350 18.073 4.380 -2.523 1.00 0.00 C ATOM 160 CD1 LEU A 350 17.769 5.430 -3.585 1.00 0.00 C ATOM 161 CD2 LEU A 350 17.074 4.508 -1.384 1.00 0.00 C ATOM 0 H LEU A 350 16.443 2.122 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 350 18.801 1.063 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 350 18.518 2.950 -4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 350 16.894 2.822 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 350 19.085 4.525 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 350 17.865 6.425 -3.151 1.00 0.00 H new ATOM 0 HD12 LEU A 350 18.472 5.326 -4.412 1.00 0.00 H new ATOM 0 HD13 LEU A 350 16.753 5.291 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 350 17.163 5.496 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 350 16.063 4.376 -1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 350 17.279 3.745 -0.633 1.00 0.00 H new ATOM 173 N SER A 351 19.163 2.473 0.006 1.00 0.00 N ATOM 174 CA SER A 351 20.157 2.906 1.039 1.00 0.00 C ATOM 175 C SER A 351 20.328 1.757 1.993 1.00 0.00 C ATOM 176 O SER A 351 20.749 1.891 3.125 1.00 0.00 O ATOM 177 CB SER A 351 19.614 4.107 1.794 1.00 0.00 C ATOM 178 OG SER A 351 20.601 4.584 2.698 1.00 0.00 O ATOM 0 H SER A 351 18.223 2.304 0.365 1.00 0.00 H new ATOM 0 HA SER A 351 21.105 3.181 0.577 1.00 0.00 H new ATOM 0 HB2 SER A 351 19.336 4.895 1.094 1.00 0.00 H new ATOM 0 HB3 SER A 351 18.711 3.830 2.338 1.00 0.00 H new ATOM 0 HG SER A 351 20.937 3.839 3.238 1.00 0.00 H new ATOM 184 N ASP A 352 19.945 0.632 1.519 1.00 0.00 N ATOM 185 CA ASP A 352 19.980 -0.614 2.307 1.00 0.00 C ATOM 186 C ASP A 352 20.798 -1.618 1.553 1.00 0.00 C ATOM 187 O ASP A 352 20.782 -2.809 1.790 1.00 0.00 O ATOM 188 CB ASP A 352 18.551 -1.060 2.351 1.00 0.00 C ATOM 189 CG ASP A 352 18.336 -2.099 3.452 1.00 0.00 C ATOM 190 OD1 ASP A 352 18.041 -1.701 4.567 1.00 0.00 O ATOM 191 OD2 ASP A 352 18.471 -3.277 3.163 1.00 0.00 O ATOM 0 H ASP A 352 19.590 0.513 0.570 1.00 0.00 H new ATOM 0 HA ASP A 352 20.407 -0.493 3.303 1.00 0.00 H new ATOM 0 HB2 ASP A 352 17.903 -0.201 2.525 1.00 0.00 H new ATOM 0 HB3 ASP A 352 18.268 -1.482 1.387 1.00 0.00 H new ATOM 196 N LEU A 353 21.457 -1.102 0.612 1.00 0.00 N ATOM 197 CA LEU A 353 22.285 -1.874 -0.302 1.00 0.00 C ATOM 198 C LEU A 353 23.709 -1.384 -0.097 1.00 0.00 C ATOM 199 O LEU A 353 24.610 -2.098 0.264 1.00 0.00 O ATOM 200 CB LEU A 353 21.751 -1.476 -1.656 1.00 0.00 C ATOM 201 CG LEU A 353 22.811 -1.561 -2.728 1.00 0.00 C ATOM 202 CD1 LEU A 353 23.170 -3.018 -2.954 1.00 0.00 C ATOM 203 CD2 LEU A 353 22.240 -0.951 -3.975 1.00 0.00 C ATOM 0 H LEU A 353 21.460 -0.100 0.419 1.00 0.00 H new ATOM 0 HA LEU A 353 22.271 -2.956 -0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 353 20.915 -2.123 -1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.364 -0.458 -1.608 1.00 0.00 H new ATOM 0 HG LEU A 353 23.717 -1.028 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 353 23.935 -3.088 -3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 353 23.550 -3.447 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 353 22.283 -3.566 -3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 353 22.981 -0.995 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 353 21.349 -1.503 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 353 21.975 0.089 -3.783 1.00 0.00 H new ATOM 215 N GLU A 354 23.876 -0.136 -0.340 1.00 0.00 N ATOM 216 CA GLU A 354 25.184 0.508 -0.187 1.00 0.00 C ATOM 217 C GLU A 354 25.664 0.305 1.224 1.00 0.00 C ATOM 218 O GLU A 354 26.840 0.226 1.519 1.00 0.00 O ATOM 219 CB GLU A 354 24.987 1.985 -0.433 1.00 0.00 C ATOM 220 CG GLU A 354 23.877 2.482 0.481 1.00 0.00 C ATOM 221 CD GLU A 354 23.523 3.926 0.119 1.00 0.00 C ATOM 222 OE1 GLU A 354 23.043 4.138 -0.982 1.00 0.00 O ATOM 223 OE2 GLU A 354 23.738 4.794 0.948 1.00 0.00 O ATOM 0 H GLU A 354 23.132 0.489 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 354 25.913 0.090 -0.882 1.00 0.00 H new ATOM 0 HB2 GLU A 354 25.911 2.528 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 354 24.727 2.164 -1.476 1.00 0.00 H new ATOM 0 HG2 GLU A 354 22.998 1.845 0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 354 24.196 2.425 1.522 1.00 0.00 H new ATOM 230 N ILE A 355 24.727 0.269 2.088 1.00 0.00 N ATOM 231 CA ILE A 355 24.988 0.127 3.512 1.00 0.00 C ATOM 232 C ILE A 355 25.470 -1.254 3.821 1.00 0.00 C ATOM 233 O ILE A 355 26.131 -1.514 4.808 1.00 0.00 O ATOM 234 CB ILE A 355 23.645 0.406 4.210 1.00 0.00 C ATOM 235 CG1 ILE A 355 23.922 1.028 5.544 1.00 0.00 C ATOM 236 CG2 ILE A 355 22.799 -0.857 4.404 1.00 0.00 C ATOM 237 CD1 ILE A 355 24.457 2.467 5.382 1.00 0.00 C ATOM 0 H ILE A 355 23.737 0.336 1.851 1.00 0.00 H new ATOM 0 HA ILE A 355 25.764 0.813 3.851 1.00 0.00 H new ATOM 0 HB ILE A 355 23.071 1.076 3.570 1.00 0.00 H new ATOM 0 HG12 ILE A 355 23.010 1.040 6.140 1.00 0.00 H new ATOM 0 HG13 ILE A 355 24.649 0.424 6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 355 21.865 -0.596 4.901 1.00 0.00 H new ATOM 0 HG22 ILE A 355 22.582 -1.302 3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 355 23.348 -1.572 5.016 1.00 0.00 H new ATOM 0 HD11 ILE A 355 24.650 2.896 6.365 1.00 0.00 H new ATOM 0 HD12 ILE A 355 25.382 2.449 4.806 1.00 0.00 H new ATOM 0 HD13 ILE A 355 23.717 3.074 4.860 1.00 0.00 H new ATOM 249 N THR A 356 25.070 -2.131 3.000 1.00 0.00 N ATOM 250 CA THR A 356 25.394 -3.573 3.178 1.00 0.00 C ATOM 251 C THR A 356 26.322 -4.077 2.076 1.00 0.00 C ATOM 252 O THR A 356 26.890 -5.149 2.158 1.00 0.00 O ATOM 253 CB THR A 356 24.087 -4.333 3.125 1.00 0.00 C ATOM 254 OG1 THR A 356 24.333 -5.732 3.126 1.00 0.00 O ATOM 255 CG2 THR A 356 23.340 -3.926 1.860 1.00 0.00 C ATOM 0 H THR A 356 24.509 -1.924 2.174 1.00 0.00 H new ATOM 0 HA THR A 356 25.907 -3.721 4.128 1.00 0.00 H new ATOM 0 HB THR A 356 23.483 -4.095 4.001 1.00 0.00 H new ATOM 0 HG1 THR A 356 23.480 -6.214 3.093 1.00 0.00 H new ATOM 0 HG21 THR A 356 22.394 -4.465 1.806 1.00 0.00 H new ATOM 0 HG22 THR A 356 23.145 -2.854 1.881 1.00 0.00 H new ATOM 0 HG23 THR A 356 23.945 -4.167 0.986 1.00 0.00 H new ATOM 263 N LEU A 357 26.484 -3.300 1.061 1.00 0.00 N ATOM 264 CA LEU A 357 27.373 -3.667 -0.070 1.00 0.00 C ATOM 265 C LEU A 357 28.658 -2.911 0.159 1.00 0.00 C ATOM 266 O LEU A 357 29.678 -3.117 -0.464 1.00 0.00 O ATOM 267 CB LEU A 357 26.688 -3.219 -1.358 1.00 0.00 C ATOM 268 CG LEU A 357 27.546 -3.496 -2.605 1.00 0.00 C ATOM 269 CD1 LEU A 357 28.637 -2.412 -2.820 1.00 0.00 C ATOM 270 CD2 LEU A 357 28.183 -4.897 -2.539 1.00 0.00 C ATOM 0 H LEU A 357 26.025 -2.395 0.959 1.00 0.00 H new ATOM 0 HA LEU A 357 27.574 -4.736 -0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 357 25.732 -3.734 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 357 26.471 -2.152 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 357 26.875 -3.458 -3.463 1.00 0.00 H new ATOM 0 HD11 LEU A 357 29.217 -2.651 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 357 28.163 -1.439 -2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 357 29.298 -2.385 -1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 357 28.784 -5.066 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 357 28.818 -4.967 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 357 27.398 -5.651 -2.481 1.00 0.00 H new ATOM 282 N GLU A 358 28.568 -2.038 1.098 1.00 0.00 N ATOM 283 CA GLU A 358 29.711 -1.191 1.507 1.00 0.00 C ATOM 284 C GLU A 358 31.005 -2.017 1.514 1.00 0.00 C ATOM 285 O GLU A 358 32.067 -1.418 1.485 1.00 0.00 O ATOM 286 CB GLU A 358 29.422 -0.650 2.911 1.00 0.00 C ATOM 287 CG GLU A 358 28.717 -1.723 3.743 1.00 0.00 C ATOM 288 CD GLU A 358 29.604 -2.965 3.835 1.00 0.00 C ATOM 289 OE1 GLU A 358 30.796 -2.803 4.038 1.00 0.00 O ATOM 290 OE2 GLU A 358 29.077 -4.057 3.700 1.00 0.00 O ATOM 291 OXT GLU A 358 30.909 -3.233 1.551 1.00 0.00 O ATOM 0 H GLU A 358 27.713 -1.865 1.626 1.00 0.00 H new ATOM 0 HA GLU A 358 29.839 -0.367 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 358 30.352 -0.354 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 358 28.798 0.242 2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 358 28.503 -1.341 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 358 27.760 -1.980 3.288 1.00 0.00 H new TER 298 GLU A 358