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 180:sc= 0 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -21:sc= -0.274! USER MOD Single : A 356 THR OG1 : rot -21:sc= 0.518! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 -0.674 5.045 -2.098 1.00 0.00 N ATOM 2 CA SER A 339 0.752 4.677 -2.329 1.00 0.00 C ATOM 3 C SER A 339 1.368 4.180 -1.020 1.00 0.00 C ATOM 4 O SER A 339 2.227 4.819 -0.445 1.00 0.00 O ATOM 5 CB SER A 339 1.522 5.903 -2.821 1.00 0.00 C ATOM 6 OG SER A 339 2.837 5.514 -3.195 1.00 0.00 O ATOM 0 HA SER A 339 0.807 3.888 -3.080 1.00 0.00 H new ATOM 0 HB2 SER A 339 1.008 6.352 -3.671 1.00 0.00 H new ATOM 0 HB3 SER A 339 1.563 6.659 -2.037 1.00 0.00 H new ATOM 0 HG SER A 339 3.332 6.298 -3.512 1.00 0.00 H new ATOM 14 N ASP A 340 0.934 3.044 -0.541 1.00 0.00 N ATOM 15 CA ASP A 340 1.491 2.501 0.734 1.00 0.00 C ATOM 16 C ASP A 340 2.650 1.558 0.430 1.00 0.00 C ATOM 17 O ASP A 340 3.179 1.530 -0.664 1.00 0.00 O ATOM 18 CB ASP A 340 0.394 1.739 1.487 1.00 0.00 C ATOM 19 CG ASP A 340 0.806 1.548 2.950 1.00 0.00 C ATOM 20 OD1 ASP A 340 1.381 2.468 3.507 1.00 0.00 O ATOM 21 OD2 ASP A 340 0.540 0.485 3.486 1.00 0.00 O ATOM 0 H ASP A 340 0.216 2.467 -0.979 1.00 0.00 H new ATOM 0 HA ASP A 340 1.851 3.325 1.350 1.00 0.00 H new ATOM 0 HB2 ASP A 340 -0.546 2.288 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 340 0.224 0.770 1.018 1.00 0.00 H new ATOM 26 N LYS A 341 3.057 0.796 1.404 1.00 0.00 N ATOM 27 CA LYS A 341 4.193 -0.144 1.210 1.00 0.00 C ATOM 28 C LYS A 341 3.660 -1.503 0.753 1.00 0.00 C ATOM 29 O LYS A 341 2.635 -1.576 0.114 1.00 0.00 O ATOM 30 CB LYS A 341 4.940 -0.270 2.543 1.00 0.00 C ATOM 31 CG LYS A 341 5.797 0.975 2.745 1.00 0.00 C ATOM 32 CD LYS A 341 4.909 2.228 2.747 1.00 0.00 C ATOM 33 CE LYS A 341 5.627 3.372 3.468 1.00 0.00 C ATOM 34 NZ LYS A 341 4.959 4.664 3.143 1.00 0.00 N ATOM 0 H LYS A 341 2.646 0.784 2.337 1.00 0.00 H new ATOM 0 HA LYS A 341 4.875 0.226 0.445 1.00 0.00 H new ATOM 0 HB2 LYS A 341 4.231 -0.378 3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 341 5.565 -1.163 2.542 1.00 0.00 H new ATOM 0 HG2 LYS A 341 6.341 0.903 3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 341 6.541 1.047 1.952 1.00 0.00 H new ATOM 0 HD2 LYS A 341 4.675 2.521 1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 341 3.962 2.013 3.241 1.00 0.00 H new ATOM 0 HE2 LYS A 341 5.611 3.204 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 341 6.674 3.406 3.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 5.447 5.440 3.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 4.996 4.825 2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 3.967 4.629 3.452 1.00 0.00 H new ATOM 48 N GLU A 342 4.360 -2.568 1.070 1.00 0.00 N ATOM 49 CA GLU A 342 3.942 -3.926 0.659 1.00 0.00 C ATOM 50 C GLU A 342 3.971 -3.975 -0.852 1.00 0.00 C ATOM 51 O GLU A 342 4.833 -4.571 -1.469 1.00 0.00 O ATOM 52 CB GLU A 342 2.541 -4.222 1.144 1.00 0.00 C ATOM 53 CG GLU A 342 2.394 -3.823 2.597 1.00 0.00 C ATOM 54 CD GLU A 342 3.163 -4.798 3.489 1.00 0.00 C ATOM 55 OE1 GLU A 342 2.837 -5.974 3.468 1.00 0.00 O ATOM 56 OE2 GLU A 342 4.066 -4.353 4.179 1.00 0.00 O ATOM 0 H GLU A 342 5.224 -2.540 1.611 1.00 0.00 H new ATOM 0 HA GLU A 342 4.614 -4.668 1.090 1.00 0.00 H new ATOM 0 HB2 GLU A 342 1.816 -3.681 0.536 1.00 0.00 H new ATOM 0 HB3 GLU A 342 2.325 -5.284 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 342 2.769 -2.810 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 342 1.340 -3.816 2.876 1.00 0.00 H new ATOM 63 N VAL A 343 3.040 -3.304 -1.440 1.00 0.00 N ATOM 64 CA VAL A 343 2.983 -3.233 -2.922 1.00 0.00 C ATOM 65 C VAL A 343 4.242 -2.594 -3.410 1.00 0.00 C ATOM 66 O VAL A 343 4.495 -2.513 -4.593 1.00 0.00 O ATOM 67 CB VAL A 343 1.756 -2.423 -3.355 1.00 0.00 C ATOM 68 CG1 VAL A 343 1.981 -0.930 -3.088 1.00 0.00 C ATOM 69 CG2 VAL A 343 1.499 -2.641 -4.848 1.00 0.00 C ATOM 0 H VAL A 343 2.302 -2.792 -0.956 1.00 0.00 H new ATOM 0 HA VAL A 343 2.894 -4.232 -3.350 1.00 0.00 H new ATOM 0 HB VAL A 343 0.893 -2.758 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 343 1.101 -0.368 -3.401 1.00 0.00 H new ATOM 0 HG12 VAL A 343 2.153 -0.773 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 343 2.849 -0.587 -3.650 1.00 0.00 H new ATOM 0 HG21 VAL A 343 0.626 -2.065 -5.155 1.00 0.00 H new ATOM 0 HG22 VAL A 343 2.369 -2.314 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 343 1.319 -3.700 -5.035 1.00 0.00 H new ATOM 79 N ASP A 344 5.026 -2.143 -2.493 1.00 0.00 N ATOM 80 CA ASP A 344 6.285 -1.480 -2.864 1.00 0.00 C ATOM 81 C ASP A 344 7.038 -1.045 -1.613 1.00 0.00 C ATOM 82 O ASP A 344 6.531 -1.089 -0.511 1.00 0.00 O ATOM 83 CB ASP A 344 5.900 -0.277 -3.696 1.00 0.00 C ATOM 84 CG ASP A 344 7.069 0.705 -3.828 1.00 0.00 C ATOM 85 OD1 ASP A 344 8.035 0.361 -4.488 1.00 0.00 O ATOM 86 OD2 ASP A 344 6.976 1.784 -3.266 1.00 0.00 O ATOM 0 H ASP A 344 4.847 -2.206 -1.491 1.00 0.00 H new ATOM 0 HA ASP A 344 6.941 -2.150 -3.420 1.00 0.00 H new ATOM 0 HB2 ASP A 344 5.583 -0.603 -4.686 1.00 0.00 H new ATOM 0 HB3 ASP A 344 5.049 0.227 -3.239 1.00 0.00 H new ATOM 91 N GLU A 345 8.255 -0.639 -1.797 1.00 0.00 N ATOM 92 CA GLU A 345 9.104 -0.206 -0.666 1.00 0.00 C ATOM 93 C GLU A 345 10.027 0.919 -1.122 1.00 0.00 C ATOM 94 O GLU A 345 10.324 1.065 -2.291 1.00 0.00 O ATOM 95 CB GLU A 345 9.952 -1.390 -0.241 1.00 0.00 C ATOM 96 CG GLU A 345 9.056 -2.600 0.021 1.00 0.00 C ATOM 97 CD GLU A 345 9.830 -3.654 0.817 1.00 0.00 C ATOM 98 OE1 GLU A 345 11.007 -3.824 0.548 1.00 0.00 O ATOM 99 OE2 GLU A 345 9.231 -4.272 1.682 1.00 0.00 O ATOM 0 H GLU A 345 8.708 -0.588 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 345 8.484 0.147 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 345 10.679 -1.626 -1.018 1.00 0.00 H new ATOM 0 HB3 GLU A 345 10.515 -1.141 0.658 1.00 0.00 H new ATOM 0 HG2 GLU A 345 8.168 -2.294 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 345 8.714 -3.023 -0.924 1.00 0.00 H new ATOM 106 N VAL A 346 10.494 1.701 -0.197 1.00 0.00 N ATOM 107 CA VAL A 346 11.421 2.818 -0.547 1.00 0.00 C ATOM 108 C VAL A 346 12.254 3.180 0.661 1.00 0.00 C ATOM 109 O VAL A 346 13.285 3.814 0.567 1.00 0.00 O ATOM 110 CB VAL A 346 10.624 4.043 -1.019 1.00 0.00 C ATOM 111 CG1 VAL A 346 11.545 5.265 -1.059 1.00 0.00 C ATOM 112 CG2 VAL A 346 10.048 3.787 -2.418 1.00 0.00 C ATOM 0 H VAL A 346 10.275 1.618 0.796 1.00 0.00 H new ATOM 0 HA VAL A 346 12.077 2.496 -1.356 1.00 0.00 H new ATOM 0 HB VAL A 346 9.804 4.226 -0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 346 10.981 6.135 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 346 11.944 5.453 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 346 12.367 5.078 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL A 346 9.484 4.661 -2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 346 10.862 3.598 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 346 9.388 2.920 -2.387 1.00 0.00 H new ATOM 122 N ASP A 347 11.808 2.782 1.784 1.00 0.00 N ATOM 123 CA ASP A 347 12.535 3.077 3.037 1.00 0.00 C ATOM 124 C ASP A 347 13.436 1.911 3.340 1.00 0.00 C ATOM 125 O ASP A 347 13.963 1.754 4.423 1.00 0.00 O ATOM 126 CB ASP A 347 11.494 3.247 4.127 1.00 0.00 C ATOM 127 CG ASP A 347 11.977 4.239 5.189 1.00 0.00 C ATOM 128 OD1 ASP A 347 13.056 4.030 5.720 1.00 0.00 O ATOM 129 OD2 ASP A 347 11.260 5.190 5.453 1.00 0.00 O ATOM 0 H ASP A 347 10.947 2.249 1.905 1.00 0.00 H new ATOM 0 HA ASP A 347 13.141 3.980 2.961 1.00 0.00 H new ATOM 0 HB2 ASP A 347 10.559 3.600 3.692 1.00 0.00 H new ATOM 0 HB3 ASP A 347 11.286 2.283 4.591 1.00 0.00 H new ATOM 134 N ALA A 348 13.627 1.128 2.356 1.00 0.00 N ATOM 135 CA ALA A 348 14.514 -0.040 2.458 1.00 0.00 C ATOM 136 C ALA A 348 15.559 0.165 1.382 1.00 0.00 C ATOM 137 O ALA A 348 16.604 -0.442 1.374 1.00 0.00 O ATOM 138 CB ALA A 348 13.687 -1.290 2.206 1.00 0.00 C ATOM 0 H ALA A 348 13.190 1.246 1.442 1.00 0.00 H new ATOM 0 HA ALA A 348 14.986 -0.151 3.434 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.327 -2.170 2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 348 12.893 -1.357 2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.247 -1.241 1.210 1.00 0.00 H new ATOM 144 N ALA A 349 15.256 1.075 0.493 1.00 0.00 N ATOM 145 CA ALA A 349 16.178 1.430 -0.613 1.00 0.00 C ATOM 146 C ALA A 349 17.368 2.182 -0.028 1.00 0.00 C ATOM 147 O ALA A 349 18.465 2.161 -0.548 1.00 0.00 O ATOM 148 CB ALA A 349 15.431 2.349 -1.568 1.00 0.00 C ATOM 0 H ALA A 349 14.381 1.599 0.493 1.00 0.00 H new ATOM 0 HA ALA A 349 16.523 0.538 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 349 16.087 2.627 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.554 1.832 -1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 349 15.116 3.247 -1.037 1.00 0.00 H new ATOM 154 N LEU A 350 17.140 2.848 1.060 1.00 0.00 N ATOM 155 CA LEU A 350 18.215 3.613 1.723 1.00 0.00 C ATOM 156 C LEU A 350 19.083 2.632 2.501 1.00 0.00 C ATOM 157 O LEU A 350 20.149 2.963 2.983 1.00 0.00 O ATOM 158 CB LEU A 350 17.537 4.663 2.621 1.00 0.00 C ATOM 159 CG LEU A 350 17.286 4.142 4.034 1.00 0.00 C ATOM 160 CD1 LEU A 350 16.811 5.298 4.905 1.00 0.00 C ATOM 161 CD2 LEU A 350 16.209 3.070 3.979 1.00 0.00 C ATOM 0 H LEU A 350 16.234 2.894 1.526 1.00 0.00 H new ATOM 0 HA LEU A 350 18.866 4.135 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 350 18.163 5.554 2.671 1.00 0.00 H new ATOM 0 HB3 LEU A 350 16.590 4.963 2.173 1.00 0.00 H new ATOM 0 HG LEU A 350 18.200 3.720 4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 350 16.628 4.939 5.918 1.00 0.00 H new ATOM 0 HD12 LEU A 350 17.576 6.074 4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 350 15.889 5.709 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 350 16.022 2.691 4.984 1.00 0.00 H new ATOM 0 HD22 LEU A 350 15.291 3.497 3.575 1.00 0.00 H new ATOM 0 HD23 LEU A 350 16.541 2.253 3.339 1.00 0.00 H new ATOM 173 N SER A 351 18.619 1.418 2.611 1.00 0.00 N ATOM 174 CA SER A 351 19.387 0.361 3.344 1.00 0.00 C ATOM 175 C SER A 351 19.811 -0.669 2.330 1.00 0.00 C ATOM 176 O SER A 351 20.277 -1.738 2.644 1.00 0.00 O ATOM 177 CB SER A 351 18.496 -0.285 4.401 1.00 0.00 C ATOM 178 OG SER A 351 19.219 -1.315 5.062 1.00 0.00 O ATOM 0 H SER A 351 17.730 1.106 2.221 1.00 0.00 H new ATOM 0 HA SER A 351 20.256 0.789 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 351 18.167 0.463 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 351 17.600 -0.696 3.936 1.00 0.00 H new ATOM 0 HG SER A 351 19.963 -1.608 4.495 1.00 0.00 H new ATOM 184 N ASP A 352 19.624 -0.304 1.116 1.00 0.00 N ATOM 185 CA ASP A 352 19.952 -1.150 -0.055 1.00 0.00 C ATOM 186 C ASP A 352 21.159 -0.565 -0.713 1.00 0.00 C ATOM 187 O ASP A 352 21.576 -0.916 -1.799 1.00 0.00 O ATOM 188 CB ASP A 352 18.762 -0.992 -0.947 1.00 0.00 C ATOM 189 CG ASP A 352 18.777 -2.029 -2.071 1.00 0.00 C ATOM 190 OD1 ASP A 352 19.307 -3.106 -1.850 1.00 0.00 O ATOM 191 OD2 ASP A 352 18.259 -1.729 -3.134 1.00 0.00 O ATOM 0 H ASP A 352 19.232 0.603 0.864 1.00 0.00 H new ATOM 0 HA ASP A 352 20.156 -2.193 0.186 1.00 0.00 H new ATOM 0 HB2 ASP A 352 17.848 -1.098 -0.362 1.00 0.00 H new ATOM 0 HB3 ASP A 352 18.753 0.011 -1.373 1.00 0.00 H new ATOM 196 N LEU A 353 21.658 0.368 -0.036 1.00 0.00 N ATOM 197 CA LEU A 353 22.789 1.146 -0.446 1.00 0.00 C ATOM 198 C LEU A 353 23.963 0.698 0.395 1.00 0.00 C ATOM 199 O LEU A 353 25.014 0.320 -0.072 1.00 0.00 O ATOM 200 CB LEU A 353 22.357 2.531 -0.038 1.00 0.00 C ATOM 201 CG LEU A 353 23.566 3.441 0.166 1.00 0.00 C ATOM 202 CD1 LEU A 353 23.195 4.860 -0.208 1.00 0.00 C ATOM 203 CD2 LEU A 353 24.094 3.421 1.625 1.00 0.00 C ATOM 0 H LEU A 353 21.288 0.646 0.873 1.00 0.00 H new ATOM 0 HA LEU A 353 23.072 1.071 -1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 353 21.704 2.953 -0.802 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.777 2.479 0.883 1.00 0.00 H new ATOM 0 HG LEU A 353 24.364 3.065 -0.475 1.00 0.00 H new ATOM 0 HD11 LEU A 353 24.057 5.512 -0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 353 22.887 4.892 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 353 22.373 5.200 0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 353 24.953 4.086 1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 353 23.307 3.756 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 353 24.393 2.407 1.890 1.00 0.00 H new ATOM 215 N GLU A 354 23.746 0.746 1.658 1.00 0.00 N ATOM 216 CA GLU A 354 24.765 0.339 2.625 1.00 0.00 C ATOM 217 C GLU A 354 25.285 -1.026 2.236 1.00 0.00 C ATOM 218 O GLU A 354 26.433 -1.374 2.416 1.00 0.00 O ATOM 219 CB GLU A 354 24.077 0.251 3.970 1.00 0.00 C ATOM 220 CG GLU A 354 23.017 -0.843 3.897 1.00 0.00 C ATOM 221 CD GLU A 354 22.036 -0.701 5.064 1.00 0.00 C ATOM 222 OE1 GLU A 354 21.827 0.417 5.508 1.00 0.00 O ATOM 223 OE2 GLU A 354 21.511 -1.714 5.497 1.00 0.00 O ATOM 0 H GLU A 354 22.871 1.063 2.075 1.00 0.00 H new ATOM 0 HA GLU A 354 25.597 1.043 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 354 24.801 0.026 4.753 1.00 0.00 H new ATOM 0 HB3 GLU A 354 23.619 1.207 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 354 22.481 -0.778 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 354 23.492 -1.824 3.928 1.00 0.00 H new ATOM 230 N ILE A 355 24.393 -1.787 1.718 1.00 0.00 N ATOM 231 CA ILE A 355 24.712 -3.174 1.294 1.00 0.00 C ATOM 232 C ILE A 355 25.609 -3.153 0.103 1.00 0.00 C ATOM 233 O ILE A 355 26.156 -4.161 -0.299 1.00 0.00 O ATOM 234 CB ILE A 355 23.436 -3.899 0.848 1.00 0.00 C ATOM 235 CG1 ILE A 355 22.267 -3.411 1.661 1.00 0.00 C ATOM 236 CG2 ILE A 355 23.627 -5.379 1.023 1.00 0.00 C ATOM 237 CD1 ILE A 355 21.029 -4.283 1.384 1.00 0.00 C ATOM 0 H ILE A 355 23.424 -1.508 1.561 1.00 0.00 H new ATOM 0 HA ILE A 355 25.181 -3.675 2.141 1.00 0.00 H new ATOM 0 HB ILE A 355 23.234 -3.690 -0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 355 22.514 -3.443 2.722 1.00 0.00 H new ATOM 0 HG13 ILE A 355 22.052 -2.371 1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 355 22.724 -5.902 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 355 24.469 -5.711 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 355 23.826 -5.599 2.072 1.00 0.00 H new ATOM 0 HD11 ILE A 355 20.189 -3.921 1.977 1.00 0.00 H new ATOM 0 HD12 ILE A 355 20.775 -4.229 0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 355 21.245 -5.317 1.653 1.00 0.00 H new ATOM 249 N THR A 356 25.678 -2.034 -0.520 1.00 0.00 N ATOM 250 CA THR A 356 26.450 -1.943 -1.783 1.00 0.00 C ATOM 251 C THR A 356 27.391 -0.745 -1.813 1.00 0.00 C ATOM 252 O THR A 356 28.201 -0.597 -2.706 1.00 0.00 O ATOM 253 CB THR A 356 25.429 -1.844 -2.890 1.00 0.00 C ATOM 254 OG1 THR A 356 26.067 -1.518 -4.118 1.00 0.00 O ATOM 255 CG2 THR A 356 24.419 -0.766 -2.511 1.00 0.00 C ATOM 0 H THR A 356 25.234 -1.167 -0.216 1.00 0.00 H new ATOM 0 HA THR A 356 27.091 -2.818 -1.892 1.00 0.00 H new ATOM 0 HB THR A 356 24.921 -2.800 -3.020 1.00 0.00 H new ATOM 0 HG1 THR A 356 26.939 -1.110 -3.935 1.00 0.00 H new ATOM 0 HG21 THR A 356 23.670 -0.676 -3.298 1.00 0.00 H new ATOM 0 HG22 THR A 356 23.931 -1.037 -1.575 1.00 0.00 H new ATOM 0 HG23 THR A 356 24.933 0.187 -2.389 1.00 0.00 H new ATOM 263 N LEU A 357 27.317 0.078 -0.828 1.00 0.00 N ATOM 264 CA LEU A 357 28.228 1.258 -0.741 1.00 0.00 C ATOM 265 C LEU A 357 29.342 0.836 0.189 1.00 0.00 C ATOM 266 O LEU A 357 30.158 1.606 0.655 1.00 0.00 O ATOM 267 CB LEU A 357 27.448 2.447 -0.156 1.00 0.00 C ATOM 268 CG LEU A 357 27.564 3.654 -1.085 1.00 0.00 C ATOM 269 CD1 LEU A 357 26.733 3.409 -2.359 1.00 0.00 C ATOM 270 CD2 LEU A 357 27.066 4.910 -0.358 1.00 0.00 C ATOM 0 H LEU A 357 26.655 -0.007 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 357 28.621 1.564 -1.710 1.00 0.00 H new ATOM 0 HB2 LEU A 357 26.400 2.177 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 357 27.837 2.698 0.831 1.00 0.00 H new ATOM 0 HG LEU A 357 28.607 3.799 -1.368 1.00 0.00 H new ATOM 0 HD11 LEU A 357 26.817 4.272 -3.020 1.00 0.00 H new ATOM 0 HD12 LEU A 357 27.105 2.522 -2.871 1.00 0.00 H new ATOM 0 HD13 LEU A 357 25.688 3.260 -2.089 1.00 0.00 H new ATOM 0 HD21 LEU A 357 27.149 5.771 -1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 357 26.024 4.774 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 357 27.671 5.079 0.533 1.00 0.00 H new ATOM 282 N GLU A 358 29.319 -0.413 0.449 1.00 0.00 N ATOM 283 CA GLU A 358 30.298 -1.056 1.356 1.00 0.00 C ATOM 284 C GLU A 358 31.543 -1.465 0.560 1.00 0.00 C ATOM 285 O GLU A 358 32.290 -2.294 1.052 1.00 0.00 O ATOM 286 CB GLU A 358 29.639 -2.291 1.987 1.00 0.00 C ATOM 287 CG GLU A 358 28.681 -2.934 0.985 1.00 0.00 C ATOM 288 CD GLU A 358 29.424 -3.223 -0.321 1.00 0.00 C ATOM 289 OE1 GLU A 358 30.073 -4.253 -0.394 1.00 0.00 O ATOM 290 OE2 GLU A 358 29.333 -2.409 -1.224 1.00 0.00 O ATOM 291 OXT GLU A 358 31.726 -0.941 -0.527 1.00 0.00 O ATOM 0 H GLU A 358 28.632 -1.057 0.056 1.00 0.00 H new ATOM 0 HA GLU A 358 30.601 -0.362 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 358 30.402 -3.009 2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 358 29.098 -2.005 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 358 28.275 -3.858 1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 358 27.837 -2.271 0.796 1.00 0.00 H new TER 298 GLU A 358