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= -0.145 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -47:sc= 0.608 USER MOD Single : A 356 THR OG1 : rot 180:sc= -0.0267 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 4.121 0.866 6.055 1.00 0.00 N ATOM 2 CA SER A 339 2.862 1.650 5.906 1.00 0.00 C ATOM 3 C SER A 339 2.329 1.493 4.480 1.00 0.00 C ATOM 4 O SER A 339 1.283 0.915 4.259 1.00 0.00 O ATOM 5 CB SER A 339 3.145 3.126 6.183 1.00 0.00 C ATOM 6 OG SER A 339 4.108 3.603 5.252 1.00 0.00 O ATOM 0 HA SER A 339 2.120 1.283 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 339 2.226 3.706 6.102 1.00 0.00 H new ATOM 0 HB3 SER A 339 3.513 3.253 7.201 1.00 0.00 H new ATOM 0 HG SER A 339 4.290 4.550 5.426 1.00 0.00 H new ATOM 14 N ASP A 340 3.039 2.001 3.511 1.00 0.00 N ATOM 15 CA ASP A 340 2.572 1.880 2.101 1.00 0.00 C ATOM 16 C ASP A 340 2.197 0.424 1.812 1.00 0.00 C ATOM 17 O ASP A 340 1.067 0.023 1.987 1.00 0.00 O ATOM 18 CB ASP A 340 3.693 2.321 1.156 1.00 0.00 C ATOM 19 CG ASP A 340 4.041 3.786 1.426 1.00 0.00 C ATOM 20 OD1 ASP A 340 3.313 4.420 2.172 1.00 0.00 O ATOM 21 OD2 ASP A 340 5.029 4.249 0.881 1.00 0.00 O ATOM 0 H ASP A 340 3.923 2.495 3.634 1.00 0.00 H new ATOM 0 HA ASP A 340 1.699 2.514 1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 340 4.573 1.694 1.301 1.00 0.00 H new ATOM 0 HB3 ASP A 340 3.380 2.196 0.120 1.00 0.00 H new ATOM 26 N LYS A 341 3.144 -0.367 1.378 1.00 0.00 N ATOM 27 CA LYS A 341 2.870 -1.807 1.075 1.00 0.00 C ATOM 28 C LYS A 341 2.082 -1.922 -0.226 1.00 0.00 C ATOM 29 O LYS A 341 2.175 -2.898 -0.943 1.00 0.00 O ATOM 30 CB LYS A 341 2.152 -2.473 2.291 1.00 0.00 C ATOM 31 CG LYS A 341 0.669 -2.808 2.007 1.00 0.00 C ATOM 32 CD LYS A 341 0.548 -4.175 1.295 1.00 0.00 C ATOM 33 CE LYS A 341 0.379 -5.294 2.331 1.00 0.00 C ATOM 34 NZ LYS A 341 -1.068 -5.466 2.644 1.00 0.00 N ATOM 0 H LYS A 341 4.108 -0.074 1.218 1.00 0.00 H new ATOM 0 HA LYS A 341 3.804 -2.349 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 341 2.680 -3.387 2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 341 2.210 -1.805 3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 341 0.109 -2.828 2.942 1.00 0.00 H new ATOM 0 HG3 LYS A 341 0.226 -2.028 1.387 1.00 0.00 H new ATOM 0 HD2 LYS A 341 -0.304 -4.166 0.615 1.00 0.00 H new ATOM 0 HD3 LYS A 341 1.436 -4.359 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 341 0.792 -6.226 1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 341 0.932 -5.051 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 -1.184 -6.224 3.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 -1.448 -4.577 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 -1.584 -5.716 1.776 1.00 0.00 H new ATOM 48 N GLU A 342 1.331 -0.916 -0.541 1.00 0.00 N ATOM 49 CA GLU A 342 0.541 -0.928 -1.813 1.00 0.00 C ATOM 50 C GLU A 342 1.477 -1.374 -2.937 1.00 0.00 C ATOM 51 O GLU A 342 1.520 -2.530 -3.308 1.00 0.00 O ATOM 52 CB GLU A 342 -0.017 0.484 -2.111 1.00 0.00 C ATOM 53 CG GLU A 342 0.729 1.507 -1.267 1.00 0.00 C ATOM 54 CD GLU A 342 0.447 2.918 -1.788 1.00 0.00 C ATOM 55 OE1 GLU A 342 -0.252 3.032 -2.781 1.00 0.00 O ATOM 56 OE2 GLU A 342 0.935 3.860 -1.185 1.00 0.00 O ATOM 0 H GLU A 342 1.223 -0.075 0.026 1.00 0.00 H new ATOM 0 HA GLU A 342 -0.305 -1.611 -1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 342 0.097 0.717 -3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 342 -1.084 0.521 -1.889 1.00 0.00 H new ATOM 0 HG2 GLU A 342 0.420 1.426 -0.225 1.00 0.00 H new ATOM 0 HG3 GLU A 342 1.800 1.306 -1.298 1.00 0.00 H new ATOM 63 N VAL A 343 2.258 -0.465 -3.443 1.00 0.00 N ATOM 64 CA VAL A 343 3.239 -0.818 -4.506 1.00 0.00 C ATOM 65 C VAL A 343 4.548 -1.080 -3.822 1.00 0.00 C ATOM 66 O VAL A 343 5.580 -1.216 -4.443 1.00 0.00 O ATOM 67 CB VAL A 343 3.368 0.347 -5.495 1.00 0.00 C ATOM 68 CG1 VAL A 343 4.335 1.401 -4.941 1.00 0.00 C ATOM 69 CG2 VAL A 343 3.889 -0.166 -6.842 1.00 0.00 C ATOM 0 H VAL A 343 2.260 0.516 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 343 2.921 -1.697 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 343 2.386 0.798 -5.636 1.00 0.00 H new ATOM 0 HG11 VAL A 343 4.421 2.225 -5.650 1.00 0.00 H new ATOM 0 HG12 VAL A 343 3.957 1.778 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 343 5.316 0.950 -4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 343 3.978 0.667 -7.539 1.00 0.00 H new ATOM 0 HG22 VAL A 343 4.866 -0.628 -6.702 1.00 0.00 H new ATOM 0 HG23 VAL A 343 3.194 -0.903 -7.244 1.00 0.00 H new ATOM 79 N ASP A 344 4.480 -1.147 -2.535 1.00 0.00 N ATOM 80 CA ASP A 344 5.674 -1.405 -1.712 1.00 0.00 C ATOM 81 C ASP A 344 6.490 -0.129 -1.561 1.00 0.00 C ATOM 82 O ASP A 344 6.092 0.940 -1.981 1.00 0.00 O ATOM 83 CB ASP A 344 6.505 -2.494 -2.379 1.00 0.00 C ATOM 84 CG ASP A 344 7.316 -3.274 -1.338 1.00 0.00 C ATOM 85 OD1 ASP A 344 6.763 -4.187 -0.747 1.00 0.00 O ATOM 86 OD2 ASP A 344 8.476 -2.945 -1.151 1.00 0.00 O ATOM 0 H ASP A 344 3.618 -1.030 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 344 5.374 -1.736 -0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 344 5.851 -3.176 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 344 7.178 -2.047 -3.111 1.00 0.00 H new ATOM 91 N GLU A 345 7.624 -0.249 -0.943 1.00 0.00 N ATOM 92 CA GLU A 345 8.507 0.920 -0.712 1.00 0.00 C ATOM 93 C GLU A 345 9.824 0.726 -1.452 1.00 0.00 C ATOM 94 O GLU A 345 10.197 -0.369 -1.823 1.00 0.00 O ATOM 95 CB GLU A 345 8.776 1.003 0.781 1.00 0.00 C ATOM 96 CG GLU A 345 7.467 1.281 1.532 1.00 0.00 C ATOM 97 CD GLU A 345 7.773 1.870 2.912 1.00 0.00 C ATOM 98 OE1 GLU A 345 8.912 1.769 3.337 1.00 0.00 O ATOM 99 OE2 GLU A 345 6.864 2.411 3.519 1.00 0.00 O ATOM 0 H GLU A 345 7.985 -1.131 -0.579 1.00 0.00 H new ATOM 0 HA GLU A 345 8.034 1.833 -1.074 1.00 0.00 H new ATOM 0 HB2 GLU A 345 9.216 0.070 1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 345 9.498 1.793 0.986 1.00 0.00 H new ATOM 0 HG2 GLU A 345 6.850 1.974 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 345 6.896 0.359 1.639 1.00 0.00 H new ATOM 106 N VAL A 346 10.526 1.796 -1.663 1.00 0.00 N ATOM 107 CA VAL A 346 11.834 1.727 -2.378 1.00 0.00 C ATOM 108 C VAL A 346 12.754 2.802 -1.824 1.00 0.00 C ATOM 109 O VAL A 346 13.884 2.968 -2.235 1.00 0.00 O ATOM 110 CB VAL A 346 11.586 1.927 -3.884 1.00 0.00 C ATOM 111 CG1 VAL A 346 12.862 2.401 -4.581 1.00 0.00 C ATOM 112 CG2 VAL A 346 11.128 0.605 -4.508 1.00 0.00 C ATOM 0 H VAL A 346 10.250 2.732 -1.368 1.00 0.00 H new ATOM 0 HA VAL A 346 12.308 0.757 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 346 10.813 2.685 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 346 12.667 2.537 -5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 346 13.183 3.348 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 346 13.647 1.657 -4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 346 10.953 0.747 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 346 11.900 -0.151 -4.365 1.00 0.00 H new ATOM 0 HG23 VAL A 346 10.205 0.277 -4.029 1.00 0.00 H new ATOM 122 N ASP A 347 12.270 3.522 -0.885 1.00 0.00 N ATOM 123 CA ASP A 347 13.080 4.599 -0.265 1.00 0.00 C ATOM 124 C ASP A 347 13.833 4.029 0.913 1.00 0.00 C ATOM 125 O ASP A 347 14.390 4.736 1.730 1.00 0.00 O ATOM 126 CB ASP A 347 12.124 5.688 0.198 1.00 0.00 C ATOM 127 CG ASP A 347 12.782 7.068 0.093 1.00 0.00 C ATOM 128 OD1 ASP A 347 13.992 7.138 0.233 1.00 0.00 O ATOM 129 OD2 ASP A 347 12.064 8.030 -0.126 1.00 0.00 O ATOM 0 H ASP A 347 11.330 3.418 -0.504 1.00 0.00 H new ATOM 0 HA ASP A 347 13.798 5.011 -0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 347 11.218 5.665 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 347 11.823 5.501 1.229 1.00 0.00 H new ATOM 134 N ALA A 348 13.868 2.757 0.968 1.00 0.00 N ATOM 135 CA ALA A 348 14.599 2.049 2.036 1.00 0.00 C ATOM 136 C ALA A 348 15.631 1.199 1.326 1.00 0.00 C ATOM 137 O ALA A 348 16.531 0.644 1.916 1.00 0.00 O ATOM 138 CB ALA A 348 13.610 1.193 2.800 1.00 0.00 C ATOM 0 H ALA A 348 13.406 2.145 0.296 1.00 0.00 H new ATOM 0 HA ALA A 348 15.082 2.718 2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 348 14.129 0.659 3.596 1.00 0.00 H new ATOM 0 HB2 ALA A 348 12.837 1.828 3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 348 13.150 0.474 2.121 1.00 0.00 H new ATOM 144 N ALA A 349 15.490 1.139 0.031 1.00 0.00 N ATOM 145 CA ALA A 349 16.428 0.376 -0.822 1.00 0.00 C ATOM 146 C ALA A 349 17.703 1.195 -0.977 1.00 0.00 C ATOM 147 O ALA A 349 18.797 0.677 -1.061 1.00 0.00 O ATOM 148 CB ALA A 349 15.779 0.192 -2.187 1.00 0.00 C ATOM 0 H ALA A 349 14.739 1.603 -0.481 1.00 0.00 H new ATOM 0 HA ALA A 349 16.660 -0.594 -0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 349 16.451 -0.369 -2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.843 -0.355 -2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 349 15.578 1.168 -2.629 1.00 0.00 H new ATOM 154 N LEU A 350 17.554 2.485 -1.004 1.00 0.00 N ATOM 155 CA LEU A 350 18.721 3.376 -1.137 1.00 0.00 C ATOM 156 C LEU A 350 19.513 3.304 0.165 1.00 0.00 C ATOM 157 O LEU A 350 20.614 3.806 0.276 1.00 0.00 O ATOM 158 CB LEU A 350 18.186 4.786 -1.440 1.00 0.00 C ATOM 159 CG LEU A 350 17.935 5.594 -0.168 1.00 0.00 C ATOM 160 CD1 LEU A 350 17.593 7.029 -0.555 1.00 0.00 C ATOM 161 CD2 LEU A 350 16.763 4.979 0.582 1.00 0.00 C ATOM 0 H LEU A 350 16.655 2.963 -0.938 1.00 0.00 H new ATOM 0 HA LEU A 350 19.393 3.089 -1.946 1.00 0.00 H new ATOM 0 HB2 LEU A 350 18.900 5.316 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 350 17.258 4.707 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 350 18.822 5.586 0.466 1.00 0.00 H new ATOM 0 HD11 LEU A 350 17.412 7.615 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 350 18.424 7.464 -1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 350 16.698 7.035 -1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 350 16.575 5.548 1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 350 15.875 5.001 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 350 16.998 3.947 0.841 1.00 0.00 H new ATOM 173 N SER A 351 18.937 2.667 1.148 1.00 0.00 N ATOM 174 CA SER A 351 19.610 2.521 2.477 1.00 0.00 C ATOM 175 C SER A 351 19.873 1.055 2.679 1.00 0.00 C ATOM 176 O SER A 351 20.023 0.555 3.776 1.00 0.00 O ATOM 177 CB SER A 351 18.680 3.016 3.570 1.00 0.00 C ATOM 178 OG SER A 351 19.358 2.992 4.818 1.00 0.00 O ATOM 0 H SER A 351 18.015 2.234 1.088 1.00 0.00 H new ATOM 0 HA SER A 351 20.535 3.096 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 351 18.345 4.029 3.346 1.00 0.00 H new ATOM 0 HB3 SER A 351 17.790 2.389 3.616 1.00 0.00 H new ATOM 0 HG SER A 351 19.821 2.135 4.922 1.00 0.00 H new ATOM 184 N ASP A 352 19.868 0.372 1.596 1.00 0.00 N ATOM 185 CA ASP A 352 20.047 -1.092 1.590 1.00 0.00 C ATOM 186 C ASP A 352 21.191 -1.430 0.686 1.00 0.00 C ATOM 187 O ASP A 352 21.412 -2.553 0.285 1.00 0.00 O ATOM 188 CB ASP A 352 18.771 -1.614 1.003 1.00 0.00 C ATOM 189 CG ASP A 352 18.616 -3.110 1.276 1.00 0.00 C ATOM 190 OD1 ASP A 352 19.301 -3.884 0.627 1.00 0.00 O ATOM 191 OD2 ASP A 352 17.815 -3.457 2.128 1.00 0.00 O ATOM 0 H ASP A 352 19.742 0.781 0.670 1.00 0.00 H new ATOM 0 HA ASP A 352 20.254 -1.508 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 352 17.924 -1.074 1.426 1.00 0.00 H new ATOM 0 HB3 ASP A 352 18.760 -1.433 -0.072 1.00 0.00 H new ATOM 196 N LEU A 353 21.862 -0.423 0.340 1.00 0.00 N ATOM 197 CA LEU A 353 22.988 -0.502 -0.579 1.00 0.00 C ATOM 198 C LEU A 353 24.201 -0.001 0.190 1.00 0.00 C ATOM 199 O LEU A 353 25.169 -0.685 0.425 1.00 0.00 O ATOM 200 CB LEU A 353 22.589 0.450 -1.682 1.00 0.00 C ATOM 201 CG LEU A 353 23.789 1.068 -2.358 1.00 0.00 C ATOM 202 CD1 LEU A 353 24.541 -0.008 -3.122 1.00 0.00 C ATOM 203 CD2 LEU A 353 23.283 2.128 -3.292 1.00 0.00 C ATOM 0 H LEU A 353 21.669 0.521 0.675 1.00 0.00 H new ATOM 0 HA LEU A 353 23.222 -1.490 -0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 353 21.991 -0.082 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.959 1.238 -1.270 1.00 0.00 H new ATOM 0 HG LEU A 353 24.472 1.509 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 353 25.409 0.433 -3.612 1.00 0.00 H new ATOM 0 HD12 LEU A 353 24.870 -0.783 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 353 23.884 -0.447 -3.873 1.00 0.00 H new ATOM 0 HD21 LEU A 353 24.125 2.598 -3.800 1.00 0.00 H new ATOM 0 HD22 LEU A 353 22.620 1.676 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 353 22.735 2.881 -2.725 1.00 0.00 H new ATOM 215 N GLU A 354 24.106 1.219 0.582 1.00 0.00 N ATOM 216 CA GLU A 354 25.174 1.869 1.348 1.00 0.00 C ATOM 217 C GLU A 354 25.448 1.062 2.584 1.00 0.00 C ATOM 218 O GLU A 354 26.523 1.062 3.146 1.00 0.00 O ATOM 219 CB GLU A 354 24.666 3.228 1.762 1.00 0.00 C ATOM 220 CG GLU A 354 23.332 3.048 2.471 1.00 0.00 C ATOM 221 CD GLU A 354 22.717 4.420 2.757 1.00 0.00 C ATOM 222 OE1 GLU A 354 22.803 5.278 1.894 1.00 0.00 O ATOM 223 OE2 GLU A 354 22.172 4.589 3.835 1.00 0.00 O ATOM 0 H GLU A 354 23.300 1.815 0.395 1.00 0.00 H new ATOM 0 HA GLU A 354 26.085 1.952 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 354 25.383 3.716 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 354 24.548 3.870 0.889 1.00 0.00 H new ATOM 0 HG2 GLU A 354 22.656 2.456 1.853 1.00 0.00 H new ATOM 0 HG3 GLU A 354 23.474 2.500 3.402 1.00 0.00 H new ATOM 230 N ILE A 355 24.434 0.422 3.018 1.00 0.00 N ATOM 231 CA ILE A 355 24.485 -0.376 4.232 1.00 0.00 C ATOM 232 C ILE A 355 25.213 -1.665 3.985 1.00 0.00 C ATOM 233 O ILE A 355 25.689 -2.334 4.881 1.00 0.00 O ATOM 234 CB ILE A 355 23.019 -0.647 4.612 1.00 0.00 C ATOM 235 CG1 ILE A 355 22.931 -0.744 6.103 1.00 0.00 C ATOM 236 CG2 ILE A 355 22.464 -1.927 3.983 1.00 0.00 C ATOM 237 CD1 ILE A 355 23.107 0.644 6.756 1.00 0.00 C ATOM 0 H ILE A 355 23.525 0.421 2.555 1.00 0.00 H new ATOM 0 HA ILE A 355 25.018 0.140 5.031 1.00 0.00 H new ATOM 0 HB ILE A 355 22.416 0.176 4.228 1.00 0.00 H new ATOM 0 HG12 ILE A 355 21.967 -1.165 6.388 1.00 0.00 H new ATOM 0 HG13 ILE A 355 23.698 -1.425 6.473 1.00 0.00 H new ATOM 0 HG21 ILE A 355 21.427 -2.063 4.289 1.00 0.00 H new ATOM 0 HG22 ILE A 355 22.515 -1.850 2.897 1.00 0.00 H new ATOM 0 HG23 ILE A 355 23.055 -2.781 4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 355 23.039 0.548 7.840 1.00 0.00 H new ATOM 0 HD12 ILE A 355 24.082 1.051 6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 355 22.324 1.315 6.402 1.00 0.00 H new ATOM 249 N THR A 356 25.220 -2.025 2.768 1.00 0.00 N ATOM 250 CA THR A 356 25.827 -3.321 2.337 1.00 0.00 C ATOM 251 C THR A 356 26.991 -3.132 1.364 1.00 0.00 C ATOM 252 O THR A 356 27.728 -4.052 1.071 1.00 0.00 O ATOM 253 CB THR A 356 24.739 -4.108 1.642 1.00 0.00 C ATOM 254 OG1 THR A 356 25.287 -5.280 1.053 1.00 0.00 O ATOM 255 CG2 THR A 356 24.113 -3.219 0.570 1.00 0.00 C ATOM 0 H THR A 356 24.822 -1.473 2.008 1.00 0.00 H new ATOM 0 HA THR A 356 26.223 -3.832 3.215 1.00 0.00 H new ATOM 0 HB THR A 356 23.978 -4.413 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 356 24.576 -5.785 0.606 1.00 0.00 H new ATOM 0 HG21 THR A 356 23.325 -3.769 0.056 1.00 0.00 H new ATOM 0 HG22 THR A 356 23.690 -2.329 1.037 1.00 0.00 H new ATOM 0 HG23 THR A 356 24.877 -2.923 -0.149 1.00 0.00 H new ATOM 263 N LEU A 357 27.159 -1.955 0.873 1.00 0.00 N ATOM 264 CA LEU A 357 28.269 -1.667 -0.082 1.00 0.00 C ATOM 265 C LEU A 357 29.374 -1.059 0.754 1.00 0.00 C ATOM 266 O LEU A 357 30.288 -0.404 0.300 1.00 0.00 O ATOM 267 CB LEU A 357 27.748 -0.676 -1.130 1.00 0.00 C ATOM 268 CG LEU A 357 28.866 -0.189 -2.065 1.00 0.00 C ATOM 269 CD1 LEU A 357 29.761 -1.356 -2.491 1.00 0.00 C ATOM 270 CD2 LEU A 357 28.240 0.443 -3.312 1.00 0.00 C ATOM 0 H LEU A 357 26.567 -1.153 1.091 1.00 0.00 H new ATOM 0 HA LEU A 357 28.634 -2.550 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 357 26.963 -1.150 -1.719 1.00 0.00 H new ATOM 0 HB3 LEU A 357 27.297 0.180 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 357 29.473 0.544 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 357 30.546 -0.990 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 357 30.212 -1.809 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 357 29.163 -2.101 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 357 29.029 0.790 -3.979 1.00 0.00 H new ATOM 0 HD22 LEU A 357 27.629 -0.298 -3.828 1.00 0.00 H new ATOM 0 HD23 LEU A 357 27.616 1.287 -3.018 1.00 0.00 H new ATOM 282 N GLU A 358 29.237 -1.280 2.010 1.00 0.00 N ATOM 283 CA GLU A 358 30.184 -0.746 3.018 1.00 0.00 C ATOM 284 C GLU A 358 31.092 -1.872 3.523 1.00 0.00 C ATOM 285 O GLU A 358 30.837 -3.013 3.176 1.00 0.00 O ATOM 286 CB GLU A 358 29.357 -0.170 4.173 1.00 0.00 C ATOM 287 CG GLU A 358 28.116 -1.030 4.390 1.00 0.00 C ATOM 288 CD GLU A 358 28.530 -2.474 4.677 1.00 0.00 C ATOM 289 OE1 GLU A 358 28.987 -2.731 5.779 1.00 0.00 O ATOM 290 OE2 GLU A 358 28.384 -3.299 3.791 1.00 0.00 O ATOM 291 OXT GLU A 358 32.026 -1.573 4.248 1.00 0.00 O ATOM 0 H GLU A 358 28.476 -1.833 2.406 1.00 0.00 H new ATOM 0 HA GLU A 358 30.815 0.029 2.583 1.00 0.00 H new ATOM 0 HB2 GLU A 358 29.956 -0.141 5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 358 29.066 0.856 3.949 1.00 0.00 H new ATOM 0 HG2 GLU A 358 27.531 -0.637 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 358 27.478 -0.994 3.507 1.00 0.00 H new TER 298 GLU A 358