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 -25:sc= 0.201 USER MOD Single : A 341 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 351 SER OG : rot -45:sc= 0.557 USER MOD Single : A 356 THR OG1 : rot -13:sc= 0.37! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 339 1.523 -0.091 6.575 1.00 0.00 N ATOM 2 CA SER A 339 2.714 0.321 5.780 1.00 0.00 C ATOM 3 C SER A 339 3.135 -0.829 4.862 1.00 0.00 C ATOM 4 O SER A 339 4.307 -1.105 4.693 1.00 0.00 O ATOM 5 CB SER A 339 3.864 0.665 6.726 1.00 0.00 C ATOM 6 OG SER A 339 4.082 -0.423 7.615 1.00 0.00 O ATOM 0 HA SER A 339 2.465 1.195 5.178 1.00 0.00 H new ATOM 0 HB2 SER A 339 4.770 0.871 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 339 3.629 1.568 7.289 1.00 0.00 H new ATOM 0 HG SER A 339 3.254 -0.939 7.710 1.00 0.00 H new ATOM 14 N ASP A 340 2.189 -1.502 4.266 1.00 0.00 N ATOM 15 CA ASP A 340 2.535 -2.633 3.360 1.00 0.00 C ATOM 16 C ASP A 340 3.132 -2.087 2.065 1.00 0.00 C ATOM 17 O ASP A 340 3.238 -0.892 1.872 1.00 0.00 O ATOM 18 CB ASP A 340 1.273 -3.438 3.040 1.00 0.00 C ATOM 19 CG ASP A 340 0.581 -3.843 4.342 1.00 0.00 C ATOM 20 OD1 ASP A 340 1.219 -4.497 5.151 1.00 0.00 O ATOM 21 OD2 ASP A 340 -0.576 -3.493 4.509 1.00 0.00 O ATOM 0 H ASP A 340 1.191 -1.317 4.368 1.00 0.00 H new ATOM 0 HA ASP A 340 3.263 -3.279 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 340 0.596 -2.844 2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 340 1.532 -4.325 2.462 1.00 0.00 H new ATOM 26 N LYS A 341 3.531 -2.957 1.178 1.00 0.00 N ATOM 27 CA LYS A 341 4.132 -2.503 -0.106 1.00 0.00 C ATOM 28 C LYS A 341 3.053 -2.365 -1.168 1.00 0.00 C ATOM 29 O LYS A 341 2.481 -3.324 -1.647 1.00 0.00 O ATOM 30 CB LYS A 341 5.189 -3.520 -0.569 1.00 0.00 C ATOM 31 CG LYS A 341 6.541 -3.229 0.111 1.00 0.00 C ATOM 32 CD LYS A 341 6.592 -3.884 1.505 1.00 0.00 C ATOM 33 CE LYS A 341 7.015 -5.355 1.379 1.00 0.00 C ATOM 34 NZ LYS A 341 8.495 -5.458 1.517 1.00 0.00 N ATOM 0 H LYS A 341 3.466 -3.969 1.289 1.00 0.00 H new ATOM 0 HA LYS A 341 4.605 -1.533 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 341 4.862 -4.531 -0.327 1.00 0.00 H new ATOM 0 HB3 LYS A 341 5.301 -3.472 -1.652 1.00 0.00 H new ATOM 0 HG2 LYS A 341 7.355 -3.609 -0.506 1.00 0.00 H new ATOM 0 HG3 LYS A 341 6.685 -2.152 0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 341 7.295 -3.348 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 341 5.615 -3.818 1.983 1.00 0.00 H new ATOM 0 HE2 LYS A 341 6.525 -5.953 2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 341 6.700 -5.754 0.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 341 8.783 -6.454 1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 341 8.953 -4.900 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 341 8.783 -5.093 2.447 1.00 0.00 H new ATOM 48 N GLU A 342 2.840 -1.157 -1.570 1.00 0.00 N ATOM 49 CA GLU A 342 1.864 -0.853 -2.661 1.00 0.00 C ATOM 50 C GLU A 342 2.746 -0.560 -3.858 1.00 0.00 C ATOM 51 O GLU A 342 3.118 -1.441 -4.607 1.00 0.00 O ATOM 52 CB GLU A 342 0.997 0.375 -2.302 1.00 0.00 C ATOM 53 CG GLU A 342 1.610 1.093 -1.109 1.00 0.00 C ATOM 54 CD GLU A 342 0.958 2.466 -0.939 1.00 0.00 C ATOM 55 OE1 GLU A 342 0.804 3.155 -1.934 1.00 0.00 O ATOM 56 OE2 GLU A 342 0.624 2.806 0.184 1.00 0.00 O ATOM 0 H GLU A 342 3.309 -0.338 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 342 1.163 -1.669 -2.840 1.00 0.00 H new ATOM 0 HB2 GLU A 342 0.934 1.051 -3.154 1.00 0.00 H new ATOM 0 HB3 GLU A 342 -0.020 0.060 -2.068 1.00 0.00 H new ATOM 0 HG2 GLU A 342 1.471 0.500 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 342 2.684 1.206 -1.254 1.00 0.00 H new ATOM 63 N VAL A 343 3.181 0.659 -3.969 1.00 0.00 N ATOM 64 CA VAL A 343 4.154 0.996 -5.032 1.00 0.00 C ATOM 65 C VAL A 343 5.494 0.710 -4.413 1.00 0.00 C ATOM 66 O VAL A 343 6.534 0.978 -4.975 1.00 0.00 O ATOM 67 CB VAL A 343 4.026 2.474 -5.428 1.00 0.00 C ATOM 68 CG1 VAL A 343 4.782 3.355 -4.425 1.00 0.00 C ATOM 69 CG2 VAL A 343 4.607 2.687 -6.829 1.00 0.00 C ATOM 0 H VAL A 343 2.904 1.436 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 343 3.996 0.425 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 343 2.971 2.749 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 343 4.685 4.401 -4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 343 4.363 3.214 -3.429 1.00 0.00 H new ATOM 0 HG13 VAL A 343 5.836 3.076 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 343 4.514 3.737 -7.106 1.00 0.00 H new ATOM 0 HG22 VAL A 343 5.659 2.402 -6.834 1.00 0.00 H new ATOM 0 HG23 VAL A 343 4.062 2.073 -7.546 1.00 0.00 H new ATOM 79 N ASP A 344 5.415 0.153 -3.234 1.00 0.00 N ATOM 80 CA ASP A 344 6.596 -0.228 -2.432 1.00 0.00 C ATOM 81 C ASP A 344 7.012 0.921 -1.524 1.00 0.00 C ATOM 82 O ASP A 344 6.393 1.966 -1.480 1.00 0.00 O ATOM 83 CB ASP A 344 7.740 -0.601 -3.351 1.00 0.00 C ATOM 84 CG ASP A 344 8.757 -1.481 -2.616 1.00 0.00 C ATOM 85 OD1 ASP A 344 9.623 -0.929 -1.958 1.00 0.00 O ATOM 86 OD2 ASP A 344 8.650 -2.692 -2.725 1.00 0.00 O ATOM 0 H ASP A 344 4.528 -0.061 -2.779 1.00 0.00 H new ATOM 0 HA ASP A 344 6.339 -1.087 -1.812 1.00 0.00 H new ATOM 0 HB2 ASP A 344 7.356 -1.131 -4.223 1.00 0.00 H new ATOM 0 HB3 ASP A 344 8.229 0.302 -3.717 1.00 0.00 H new ATOM 91 N GLU A 345 8.060 0.709 -0.792 1.00 0.00 N ATOM 92 CA GLU A 345 8.570 1.737 0.146 1.00 0.00 C ATOM 93 C GLU A 345 9.863 2.328 -0.400 1.00 0.00 C ATOM 94 O GLU A 345 10.493 1.775 -1.280 1.00 0.00 O ATOM 95 CB GLU A 345 8.849 1.052 1.475 1.00 0.00 C ATOM 96 CG GLU A 345 7.533 0.569 2.103 1.00 0.00 C ATOM 97 CD GLU A 345 7.725 0.352 3.607 1.00 0.00 C ATOM 98 OE1 GLU A 345 8.284 1.229 4.246 1.00 0.00 O ATOM 99 OE2 GLU A 345 7.309 -0.687 4.093 1.00 0.00 O ATOM 0 H GLU A 345 8.599 -0.157 -0.804 1.00 0.00 H new ATOM 0 HA GLU A 345 7.841 2.538 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 345 9.521 0.207 1.324 1.00 0.00 H new ATOM 0 HB3 GLU A 345 9.352 1.743 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 345 6.746 1.303 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 345 7.213 -0.360 1.630 1.00 0.00 H new ATOM 106 N VAL A 346 10.258 3.448 0.129 1.00 0.00 N ATOM 107 CA VAL A 346 11.518 4.115 -0.324 1.00 0.00 C ATOM 108 C VAL A 346 12.344 4.449 0.900 1.00 0.00 C ATOM 109 O VAL A 346 13.448 4.950 0.820 1.00 0.00 O ATOM 110 CB VAL A 346 11.161 5.388 -1.113 1.00 0.00 C ATOM 111 CG1 VAL A 346 12.344 6.359 -1.119 1.00 0.00 C ATOM 112 CG2 VAL A 346 10.807 5.014 -2.555 1.00 0.00 C ATOM 0 H VAL A 346 9.757 3.942 0.868 1.00 0.00 H new ATOM 0 HA VAL A 346 12.094 3.459 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 346 10.308 5.870 -0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 346 12.077 7.254 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 346 12.594 6.634 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 346 13.205 5.881 -1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 346 10.554 5.916 -3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 346 11.660 4.524 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 346 9.954 4.336 -2.556 1.00 0.00 H new ATOM 122 N ASP A 347 11.809 4.159 2.025 1.00 0.00 N ATOM 123 CA ASP A 347 12.524 4.433 3.298 1.00 0.00 C ATOM 124 C ASP A 347 13.236 3.173 3.730 1.00 0.00 C ATOM 125 O ASP A 347 13.673 3.015 4.852 1.00 0.00 O ATOM 126 CB ASP A 347 11.492 4.842 4.334 1.00 0.00 C ATOM 127 CG ASP A 347 12.104 5.808 5.354 1.00 0.00 C ATOM 128 OD1 ASP A 347 12.759 6.747 4.933 1.00 0.00 O ATOM 129 OD2 ASP A 347 11.906 5.591 6.539 1.00 0.00 O ATOM 0 H ASP A 347 10.888 3.734 2.133 1.00 0.00 H new ATOM 0 HA ASP A 347 13.258 5.230 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 347 10.642 5.315 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 347 11.112 3.958 4.845 1.00 0.00 H new ATOM 134 N ALA A 348 13.382 2.311 2.806 1.00 0.00 N ATOM 135 CA ALA A 348 14.101 1.043 3.025 1.00 0.00 C ATOM 136 C ALA A 348 15.056 0.937 1.855 1.00 0.00 C ATOM 137 O ALA A 348 15.950 0.119 1.810 1.00 0.00 O ATOM 138 CB ALA A 348 13.101 -0.098 3.026 1.00 0.00 C ATOM 0 H ALA A 348 13.020 2.428 1.860 1.00 0.00 H new ATOM 0 HA ALA A 348 14.634 1.004 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 348 13.624 -1.040 3.187 1.00 0.00 H new ATOM 0 HB2 ALA A 348 12.375 0.055 3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 348 12.584 -0.130 2.067 1.00 0.00 H new ATOM 144 N ALA A 349 14.853 1.823 0.919 1.00 0.00 N ATOM 145 CA ALA A 349 15.705 1.898 -0.283 1.00 0.00 C ATOM 146 C ALA A 349 17.021 2.548 0.125 1.00 0.00 C ATOM 147 O ALA A 349 18.080 2.239 -0.384 1.00 0.00 O ATOM 148 CB ALA A 349 14.996 2.779 -1.305 1.00 0.00 C ATOM 0 H ALA A 349 14.105 2.516 0.947 1.00 0.00 H new ATOM 0 HA ALA A 349 15.890 0.912 -0.709 1.00 0.00 H new ATOM 0 HB1 ALA A 349 15.604 2.853 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 349 14.029 2.341 -1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 349 14.846 3.774 -0.886 1.00 0.00 H new ATOM 154 N LEU A 350 16.941 3.448 1.060 1.00 0.00 N ATOM 155 CA LEU A 350 18.145 4.145 1.554 1.00 0.00 C ATOM 156 C LEU A 350 19.004 3.135 2.307 1.00 0.00 C ATOM 157 O LEU A 350 20.132 3.397 2.675 1.00 0.00 O ATOM 158 CB LEU A 350 17.669 5.299 2.446 1.00 0.00 C ATOM 159 CG LEU A 350 17.398 4.841 3.875 1.00 0.00 C ATOM 160 CD1 LEU A 350 17.056 6.060 4.725 1.00 0.00 C ATOM 161 CD2 LEU A 350 16.219 3.877 3.873 1.00 0.00 C ATOM 0 H LEU A 350 16.070 3.732 1.509 1.00 0.00 H new ATOM 0 HA LEU A 350 18.755 4.559 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 350 18.423 6.086 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 350 16.761 5.732 2.026 1.00 0.00 H new ATOM 0 HG LEU A 350 18.277 4.341 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 350 16.860 5.745 5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 350 17.893 6.758 4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 350 16.170 6.549 4.320 1.00 0.00 H new ATOM 0 HD21 LEU A 350 16.019 3.545 4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 350 15.338 4.381 3.476 1.00 0.00 H new ATOM 0 HD23 LEU A 350 16.455 3.014 3.250 1.00 0.00 H new ATOM 173 N SER A 351 18.454 1.974 2.527 1.00 0.00 N ATOM 174 CA SER A 351 19.189 0.891 3.253 1.00 0.00 C ATOM 175 C SER A 351 19.347 -0.258 2.295 1.00 0.00 C ATOM 176 O SER A 351 19.515 -1.405 2.659 1.00 0.00 O ATOM 177 CB SER A 351 18.367 0.435 4.445 1.00 0.00 C ATOM 178 OG SER A 351 19.117 -0.499 5.210 1.00 0.00 O ATOM 0 H SER A 351 17.511 1.722 2.231 1.00 0.00 H new ATOM 0 HA SER A 351 20.158 1.247 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 351 18.096 1.292 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 351 17.437 -0.021 4.106 1.00 0.00 H new ATOM 0 HG SER A 351 19.542 -1.147 4.610 1.00 0.00 H new ATOM 184 N ASP A 352 19.234 0.072 1.064 1.00 0.00 N ATOM 185 CA ASP A 352 19.301 -0.920 -0.026 1.00 0.00 C ATOM 186 C ASP A 352 20.358 -0.491 -0.995 1.00 0.00 C ATOM 187 O ASP A 352 20.474 -0.963 -2.107 1.00 0.00 O ATOM 188 CB ASP A 352 17.958 -0.839 -0.682 1.00 0.00 C ATOM 189 CG ASP A 352 17.711 -2.056 -1.575 1.00 0.00 C ATOM 190 OD1 ASP A 352 18.022 -3.154 -1.144 1.00 0.00 O ATOM 191 OD2 ASP A 352 17.215 -1.869 -2.674 1.00 0.00 O ATOM 0 H ASP A 352 19.091 1.031 0.747 1.00 0.00 H new ATOM 0 HA ASP A 352 19.536 -1.927 0.319 1.00 0.00 H new ATOM 0 HB2 ASP A 352 17.180 -0.778 0.079 1.00 0.00 H new ATOM 0 HB3 ASP A 352 17.894 0.072 -1.277 1.00 0.00 H new ATOM 196 N LEU A 353 21.075 0.446 -0.558 1.00 0.00 N ATOM 197 CA LEU A 353 22.133 1.063 -1.342 1.00 0.00 C ATOM 198 C LEU A 353 23.422 0.818 -0.576 1.00 0.00 C ATOM 199 O LEU A 353 24.341 0.174 -1.015 1.00 0.00 O ATOM 200 CB LEU A 353 21.751 2.522 -1.340 1.00 0.00 C ATOM 201 CG LEU A 353 22.960 3.417 -1.467 1.00 0.00 C ATOM 202 CD1 LEU A 353 23.583 3.221 -2.839 1.00 0.00 C ATOM 203 CD2 LEU A 353 22.495 4.831 -1.285 1.00 0.00 C ATOM 0 H LEU A 353 20.970 0.843 0.376 1.00 0.00 H new ATOM 0 HA LEU A 353 22.262 0.691 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 353 21.064 2.719 -2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 353 21.219 2.758 -0.418 1.00 0.00 H new ATOM 0 HG LEU A 353 23.714 3.179 -0.717 1.00 0.00 H new ATOM 0 HD11 LEU A 353 24.457 3.865 -2.937 1.00 0.00 H new ATOM 0 HD12 LEU A 353 23.884 2.180 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 353 22.855 3.477 -3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 353 23.345 5.508 -1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 353 21.759 5.074 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 353 22.042 4.941 -0.300 1.00 0.00 H new ATOM 215 N GLU A 354 23.452 1.350 0.591 1.00 0.00 N ATOM 216 CA GLU A 354 24.614 1.203 1.472 1.00 0.00 C ATOM 217 C GLU A 354 24.894 -0.260 1.666 1.00 0.00 C ATOM 218 O GLU A 354 26.008 -0.698 1.863 1.00 0.00 O ATOM 219 CB GLU A 354 24.247 1.816 2.802 1.00 0.00 C ATOM 220 CG GLU A 354 22.948 1.187 3.281 1.00 0.00 C ATOM 221 CD GLU A 354 22.454 1.921 4.529 1.00 0.00 C ATOM 222 OE1 GLU A 354 22.722 3.106 4.641 1.00 0.00 O ATOM 223 OE2 GLU A 354 21.815 1.286 5.352 1.00 0.00 O ATOM 0 H GLU A 354 22.690 1.902 0.986 1.00 0.00 H new ATOM 0 HA GLU A 354 25.494 1.687 1.048 1.00 0.00 H new ATOM 0 HB2 GLU A 354 25.041 1.646 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 354 24.131 2.895 2.703 1.00 0.00 H new ATOM 0 HG2 GLU A 354 22.195 1.238 2.494 1.00 0.00 H new ATOM 0 HG3 GLU A 354 23.104 0.132 3.505 1.00 0.00 H new ATOM 230 N ILE A 355 23.853 -0.995 1.647 1.00 0.00 N ATOM 231 CA ILE A 355 23.917 -2.431 1.861 1.00 0.00 C ATOM 232 C ILE A 355 24.552 -3.107 0.686 1.00 0.00 C ATOM 233 O ILE A 355 25.106 -4.186 0.767 1.00 0.00 O ATOM 234 CB ILE A 355 22.458 -2.890 2.036 1.00 0.00 C ATOM 235 CG1 ILE A 355 22.436 -4.063 2.965 1.00 0.00 C ATOM 236 CG2 ILE A 355 21.792 -3.275 0.714 1.00 0.00 C ATOM 237 CD1 ILE A 355 22.774 -3.631 4.408 1.00 0.00 C ATOM 0 H ILE A 355 22.911 -0.639 1.483 1.00 0.00 H new ATOM 0 HA ILE A 355 24.521 -2.685 2.732 1.00 0.00 H new ATOM 0 HB ILE A 355 21.892 -2.052 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 355 21.452 -4.531 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 355 23.153 -4.812 2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 355 20.766 -3.590 0.902 1.00 0.00 H new ATOM 0 HG22 ILE A 355 21.791 -2.416 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 355 22.344 -4.094 0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 355 22.751 -4.502 5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 355 23.769 -3.185 4.431 1.00 0.00 H new ATOM 0 HD13 ILE A 355 22.041 -2.900 4.750 1.00 0.00 H new ATOM 249 N THR A 356 24.396 -2.484 -0.406 1.00 0.00 N ATOM 250 CA THR A 356 24.899 -3.029 -1.697 1.00 0.00 C ATOM 251 C THR A 356 26.030 -2.176 -2.261 1.00 0.00 C ATOM 252 O THR A 356 26.696 -2.543 -3.208 1.00 0.00 O ATOM 253 CB THR A 356 23.739 -3.025 -2.666 1.00 0.00 C ATOM 254 OG1 THR A 356 24.186 -3.386 -3.965 1.00 0.00 O ATOM 255 CG2 THR A 356 23.128 -1.627 -2.684 1.00 0.00 C ATOM 0 H THR A 356 23.925 -1.583 -0.485 1.00 0.00 H new ATOM 0 HA THR A 356 25.292 -4.034 -1.541 1.00 0.00 H new ATOM 0 HB THR A 356 22.989 -3.751 -2.352 1.00 0.00 H new ATOM 0 HG1 THR A 356 25.165 -3.346 -3.997 1.00 0.00 H new ATOM 0 HG21 THR A 356 22.288 -1.606 -3.379 1.00 0.00 H new ATOM 0 HG22 THR A 356 22.778 -1.370 -1.684 1.00 0.00 H new ATOM 0 HG23 THR A 356 23.880 -0.905 -3.002 1.00 0.00 H new ATOM 263 N LEU A 357 26.246 -1.050 -1.671 1.00 0.00 N ATOM 264 CA LEU A 357 27.329 -0.125 -2.112 1.00 0.00 C ATOM 265 C LEU A 357 28.385 -0.181 -1.028 1.00 0.00 C ATOM 266 O LEU A 357 29.457 0.384 -1.096 1.00 0.00 O ATOM 267 CB LEU A 357 26.750 1.292 -2.241 1.00 0.00 C ATOM 268 CG LEU A 357 27.866 2.309 -2.486 1.00 0.00 C ATOM 269 CD1 LEU A 357 28.755 1.838 -3.642 1.00 0.00 C ATOM 270 CD2 LEU A 357 27.241 3.663 -2.839 1.00 0.00 C ATOM 0 H LEU A 357 25.705 -0.713 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 357 27.752 -0.401 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 357 26.034 1.325 -3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 357 26.206 1.553 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 357 28.474 2.406 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 357 29.548 2.567 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 357 29.196 0.873 -3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 357 28.154 1.739 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 357 28.031 4.393 -3.015 1.00 0.00 H new ATOM 0 HD22 LEU A 357 26.634 3.560 -3.739 1.00 0.00 H new ATOM 0 HD23 LEU A 357 26.613 4.000 -2.014 1.00 0.00 H new ATOM 282 N GLU A 358 28.041 -0.910 -0.029 1.00 0.00 N ATOM 283 CA GLU A 358 28.924 -1.128 1.143 1.00 0.00 C ATOM 284 C GLU A 358 30.381 -1.287 0.683 1.00 0.00 C ATOM 285 O GLU A 358 31.265 -1.024 1.482 1.00 0.00 O ATOM 286 CB GLU A 358 28.458 -2.400 1.871 1.00 0.00 C ATOM 287 CG GLU A 358 27.896 -3.401 0.857 1.00 0.00 C ATOM 288 CD GLU A 358 28.961 -3.714 -0.195 1.00 0.00 C ATOM 289 OE1 GLU A 358 30.001 -4.230 0.180 1.00 0.00 O ATOM 290 OE2 GLU A 358 28.718 -3.434 -1.357 1.00 0.00 O ATOM 291 OXT GLU A 358 30.583 -1.667 -0.458 1.00 0.00 O ATOM 0 H GLU A 358 27.143 -1.390 0.034 1.00 0.00 H new ATOM 0 HA GLU A 358 28.869 -0.272 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 358 29.292 -2.846 2.413 1.00 0.00 H new ATOM 0 HB3 GLU A 358 27.696 -2.149 2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 358 27.591 -4.316 1.364 1.00 0.00 H new ATOM 0 HG3 GLU A 358 27.007 -2.990 0.379 1.00 0.00 H new TER 298 GLU A 358