USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 126 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -2.48! C(o=-2.5!,f=-4!) USER MOD Single : A 23 GLN :FLIP amide:sc= -3.09! C(o=-4.5!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -1.445 18.925 9.221 1.00 0.00 N ATOM 81 CA LEU A 7 -0.884 17.690 8.699 1.00 0.00 C ATOM 82 C LEU A 7 -2.018 16.783 8.219 1.00 0.00 C ATOM 83 O LEU A 7 -1.956 15.565 8.383 1.00 0.00 O ATOM 84 CB LEU A 7 0.030 17.036 9.737 1.00 0.00 C ATOM 85 CG LEU A 7 1.530 17.111 9.451 1.00 0.00 C ATOM 86 CD1 LEU A 7 2.333 17.175 10.753 1.00 0.00 C ATOM 87 CD2 LEU A 7 1.977 15.950 8.559 1.00 0.00 C ATOM 0 HA LEU A 7 -0.251 17.894 7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.159 17.502 10.704 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.250 15.987 9.829 1.00 0.00 H new ATOM 0 HG LEU A 7 1.728 18.033 8.904 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.397 17.228 10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.040 18.060 11.318 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.134 16.283 11.347 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.048 16.027 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.763 15.005 9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.438 15.990 7.612 1.00 0.00 H new ATOM 98 N THR A 8 -3.029 17.411 7.636 1.00 0.00 N ATOM 99 CA THR A 8 -4.176 16.674 7.132 1.00 0.00 C ATOM 100 C THR A 8 -3.974 16.317 5.659 1.00 0.00 C ATOM 101 O THR A 8 -4.089 15.153 5.277 1.00 0.00 O ATOM 102 CB THR A 8 -5.428 17.517 7.386 1.00 0.00 C ATOM 103 OG1 THR A 8 -5.659 17.382 8.786 1.00 0.00 O ATOM 104 CG2 THR A 8 -6.679 16.916 6.741 1.00 0.00 C ATOM 0 H THR A 8 -3.078 18.421 7.501 1.00 0.00 H new ATOM 0 HA THR A 8 -4.295 15.723 7.652 1.00 0.00 H new ATOM 0 HB THR A 8 -5.271 18.525 7.003 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.453 17.899 9.038 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.538 17.553 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.535 16.846 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.856 15.921 7.149 1.00 0.00 H new ATOM 132 N HIS A 10 -1.461 15.981 4.129 1.00 0.00 N ATOM 133 CA HIS A 10 -0.390 15.004 4.022 1.00 0.00 C ATOM 134 C HIS A 10 -0.885 13.644 4.513 1.00 0.00 C ATOM 135 O HIS A 10 -0.297 12.611 4.190 1.00 0.00 O ATOM 136 CB HIS A 10 0.859 15.485 4.765 1.00 0.00 C ATOM 137 CG HIS A 10 1.772 16.355 3.934 1.00 0.00 C ATOM 138 ND1 HIS A 10 1.344 17.520 3.324 1.00 0.00 N ATOM 139 CD2 HIS A 10 3.092 16.216 3.621 1.00 0.00 C ATOM 140 CE1 HIS A 10 2.370 18.051 2.673 1.00 0.00 C ATOM 141 NE2 HIS A 10 3.451 17.242 2.858 1.00 0.00 N ATOM 0 HA HIS A 10 -0.100 14.890 2.978 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.551 16.041 5.650 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.419 14.617 5.113 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.736 15.409 3.939 1.00 0.00 H new ATOM 0 HE1 HIS A 10 2.352 18.964 2.097 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.383 17.399 2.474 1.00 0.00 H new ATOM 149 N LEU A 11 -1.961 13.684 5.285 1.00 0.00 N ATOM 150 CA LEU A 11 -2.542 12.466 5.824 1.00 0.00 C ATOM 151 C LEU A 11 -3.137 11.641 4.681 1.00 0.00 C ATOM 152 O LEU A 11 -3.156 10.413 4.742 1.00 0.00 O ATOM 153 CB LEU A 11 -3.544 12.795 6.931 1.00 0.00 C ATOM 154 CG LEU A 11 -5.023 12.686 6.553 1.00 0.00 C ATOM 155 CD1 LEU A 11 -5.410 11.234 6.265 1.00 0.00 C ATOM 156 CD2 LEU A 11 -5.913 13.315 7.627 1.00 0.00 C ATOM 0 H LEU A 11 -2.446 14.541 5.550 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.773 11.853 6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.355 12.130 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.352 13.811 7.277 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.182 13.250 5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.466 11.185 5.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.809 10.855 5.438 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.231 10.627 7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.958 13.223 7.333 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.757 12.801 8.576 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.659 14.369 7.739 1.00 0.00 H new ATOM 167 N LEU A 12 -3.608 12.350 3.665 1.00 0.00 N ATOM 168 CA LEU A 12 -4.202 11.698 2.510 1.00 0.00 C ATOM 169 C LEU A 12 -3.147 10.832 1.819 1.00 0.00 C ATOM 170 O LEU A 12 -3.396 9.666 1.519 1.00 0.00 O ATOM 171 CB LEU A 12 -4.850 12.732 1.587 1.00 0.00 C ATOM 172 CG LEU A 12 -3.964 13.280 0.467 1.00 0.00 C ATOM 173 CD1 LEU A 12 -3.660 12.197 -0.571 1.00 0.00 C ATOM 174 CD2 LEU A 12 -4.590 14.523 -0.169 1.00 0.00 C ATOM 0 H LEU A 12 -3.590 13.369 3.618 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.007 11.032 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.735 12.283 1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.192 13.569 2.195 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.013 13.585 0.903 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.029 12.613 -1.356 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.142 11.367 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.593 11.839 -1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.940 14.892 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.563 14.267 -0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.713 15.297 0.589 1.00 0.00 H new ATOM 185 N ARG A 13 -1.991 11.437 1.586 1.00 0.00 N ATOM 186 CA ARG A 13 -0.898 10.737 0.936 1.00 0.00 C ATOM 187 C ARG A 13 -0.278 9.715 1.893 1.00 0.00 C ATOM 188 O ARG A 13 0.164 8.650 1.466 1.00 0.00 O ATOM 189 CB ARG A 13 0.185 11.713 0.474 1.00 0.00 C ATOM 190 CG ARG A 13 0.755 12.500 1.656 1.00 0.00 C ATOM 191 CD ARG A 13 1.954 13.348 1.224 1.00 0.00 C ATOM 192 NE ARG A 13 1.499 14.470 0.373 1.00 0.00 N ATOM 193 CZ ARG A 13 2.220 15.576 0.140 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.432 15.715 0.693 1.00 0.00 N ATOM 195 NH2 ARG A 13 1.727 16.542 -0.647 1.00 0.00 N ATOM 0 H ARG A 13 -1.789 12.405 1.836 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.305 10.225 0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.986 11.165 -0.022 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.231 12.403 -0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.018 13.144 2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.058 11.811 2.444 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.473 13.733 2.102 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.668 12.732 0.677 1.00 0.00 H new ATOM 0 HE ARG A 13 0.580 14.397 -0.063 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.807 14.979 1.292 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.980 16.557 0.515 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.804 16.435 -1.068 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.275 17.384 -0.825 1.00 0.00 H new ATOM 206 N GLU A 14 -0.267 10.077 3.167 1.00 0.00 N ATOM 207 CA GLU A 14 0.291 9.206 4.187 1.00 0.00 C ATOM 208 C GLU A 14 -0.568 7.947 4.337 1.00 0.00 C ATOM 209 O GLU A 14 -0.060 6.830 4.249 1.00 0.00 O ATOM 210 CB GLU A 14 0.425 9.940 5.523 1.00 0.00 C ATOM 211 CG GLU A 14 1.530 9.321 6.380 1.00 0.00 C ATOM 212 CD GLU A 14 1.033 9.050 7.802 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.081 8.250 7.928 1.00 0.00 O ATOM 214 OE2 GLU A 14 1.618 9.648 8.731 1.00 0.00 O ATOM 0 H GLU A 14 -0.636 10.962 3.516 1.00 0.00 H new ATOM 0 HA GLU A 14 1.291 8.906 3.873 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.646 10.992 5.343 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.522 9.900 6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.869 8.390 5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.389 9.991 6.412 1.00 0.00 H new ATOM 219 N VAL A 15 -1.855 8.171 4.562 1.00 0.00 N ATOM 220 CA VAL A 15 -2.788 7.069 4.725 1.00 0.00 C ATOM 221 C VAL A 15 -2.878 6.285 3.415 1.00 0.00 C ATOM 222 O VAL A 15 -2.888 5.055 3.423 1.00 0.00 O ATOM 223 CB VAL A 15 -4.143 7.598 5.200 1.00 0.00 C ATOM 224 CG1 VAL A 15 -5.272 6.643 4.805 1.00 0.00 C ATOM 225 CG2 VAL A 15 -4.136 7.846 6.709 1.00 0.00 C ATOM 0 H VAL A 15 -2.273 9.099 4.635 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.436 6.380 5.492 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.323 8.553 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.225 7.042 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.298 6.539 3.720 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.099 5.667 5.259 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.111 8.222 7.021 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.923 6.913 7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.369 8.581 6.953 1.00 0.00 H new ATOM 235 N LEU A 16 -2.941 7.028 2.320 1.00 0.00 N ATOM 236 CA LEU A 16 -3.031 6.417 1.005 1.00 0.00 C ATOM 237 C LEU A 16 -2.042 5.252 0.920 1.00 0.00 C ATOM 238 O LEU A 16 -2.372 4.191 0.391 1.00 0.00 O ATOM 239 CB LEU A 16 -2.836 7.469 -0.089 1.00 0.00 C ATOM 240 CG LEU A 16 -4.112 8.102 -0.647 1.00 0.00 C ATOM 241 CD1 LEU A 16 -3.785 9.284 -1.561 1.00 0.00 C ATOM 242 CD2 LEU A 16 -4.980 7.056 -1.351 1.00 0.00 C ATOM 0 H LEU A 16 -2.931 8.048 2.317 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.027 6.004 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.204 8.263 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.291 7.010 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.692 8.493 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.710 9.715 -1.944 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.239 10.040 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.173 8.941 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.881 7.532 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.420 6.614 -2.175 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.258 6.277 -0.641 1.00 0.00 H new ATOM 253 N GLU A 17 -0.850 5.489 1.449 1.00 0.00 N ATOM 254 CA GLU A 17 0.188 4.473 1.440 1.00 0.00 C ATOM 255 C GLU A 17 -0.383 3.127 1.889 1.00 0.00 C ATOM 256 O GLU A 17 -0.015 2.083 1.354 1.00 0.00 O ATOM 257 CB GLU A 17 1.369 4.888 2.319 1.00 0.00 C ATOM 258 CG GLU A 17 2.679 4.858 1.528 1.00 0.00 C ATOM 259 CD GLU A 17 3.780 4.151 2.320 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.859 2.908 2.198 1.00 0.00 O ATOM 261 OE2 GLU A 17 4.520 4.867 3.028 1.00 0.00 O ATOM 0 H GLU A 17 -0.581 6.370 1.887 1.00 0.00 H new ATOM 0 HA GLU A 17 0.557 4.367 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.200 5.891 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.442 4.218 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.523 4.346 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.990 5.876 1.294 1.00 0.00 H new ATOM 285 N ALA A 19 -3.691 0.511 2.760 1.00 0.00 N ATOM 286 CA ALA A 19 -4.979 0.151 2.192 1.00 0.00 C ATOM 287 C ALA A 19 -4.832 -0.027 0.679 1.00 0.00 C ATOM 288 O ALA A 19 -5.772 -0.445 0.006 1.00 0.00 O ATOM 289 CB ALA A 19 -6.014 1.217 2.556 1.00 0.00 C ATOM 0 HA ALA A 19 -5.329 -0.796 2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.980 0.947 2.130 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.102 1.284 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.699 2.181 2.158 1.00 0.00 H new ATOM 295 N ARG A 20 -3.645 0.299 0.190 1.00 0.00 N ATOM 296 CA ARG A 20 -3.362 0.179 -1.231 1.00 0.00 C ATOM 297 C ARG A 20 -2.350 -0.940 -1.479 1.00 0.00 C ATOM 298 O ARG A 20 -1.867 -1.109 -2.597 1.00 0.00 O ATOM 299 CB ARG A 20 -2.810 1.491 -1.794 1.00 0.00 C ATOM 300 CG ARG A 20 -1.441 1.812 -1.192 1.00 0.00 C ATOM 301 CD ARG A 20 -0.672 2.799 -2.075 1.00 0.00 C ATOM 302 NE ARG A 20 -1.616 3.737 -2.724 1.00 0.00 N ATOM 303 CZ ARG A 20 -1.280 4.961 -3.156 1.00 0.00 C ATOM 304 NH1 ARG A 20 -0.024 5.402 -3.010 1.00 0.00 N ATOM 305 NH2 ARG A 20 -2.201 5.743 -3.735 1.00 0.00 N ATOM 0 H ARG A 20 -2.868 0.646 0.752 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.298 -0.056 -1.737 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.727 1.419 -2.878 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.505 2.303 -1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.568 2.233 -0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.865 0.894 -1.079 1.00 0.00 H new ATOM 0 HD2 ARG A 20 0.049 3.353 -1.474 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.106 2.257 -2.833 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.582 3.433 -2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.678 4.807 -2.570 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.231 6.333 -3.339 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.158 5.407 -3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.946 6.674 -4.064 1.00 0.00 H new ATOM 316 N ALA A 21 -2.059 -1.677 -0.417 1.00 0.00 N ATOM 317 CA ALA A 21 -1.114 -2.777 -0.505 1.00 0.00 C ATOM 318 C ALA A 21 -1.336 -3.732 0.668 1.00 0.00 C ATOM 319 O ALA A 21 -1.359 -4.949 0.488 1.00 0.00 O ATOM 320 CB ALA A 21 0.312 -2.222 -0.543 1.00 0.00 C ATOM 0 H ALA A 21 -2.461 -1.534 0.509 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.269 -3.343 -1.423 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.022 -3.047 -0.609 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.427 -1.574 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.504 -1.650 0.365 1.00 0.00 H new ATOM 326 N GLU A 22 -1.496 -3.145 1.845 1.00 0.00 N ATOM 327 CA GLU A 22 -1.718 -3.928 3.049 1.00 0.00 C ATOM 328 C GLU A 22 -3.049 -4.676 2.959 1.00 0.00 C ATOM 329 O GLU A 22 -3.273 -5.644 3.684 1.00 0.00 O ATOM 330 CB GLU A 22 -1.668 -3.043 4.296 1.00 0.00 C ATOM 331 CG GLU A 22 -2.262 -3.768 5.506 1.00 0.00 C ATOM 332 CD GLU A 22 -1.932 -3.027 6.804 1.00 0.00 C ATOM 333 OE1 GLU A 22 -2.215 -1.811 6.852 1.00 0.00 O ATOM 334 OE2 GLU A 22 -1.405 -3.695 7.720 1.00 0.00 O ATOM 0 H GLU A 22 -1.476 -2.136 1.991 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.917 -4.663 3.134 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.636 -2.762 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.219 -2.120 4.114 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.343 -3.847 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.871 -4.784 5.554 1.00 0.00 H new ATOM 339 N GLN A 23 -3.900 -4.197 2.063 1.00 0.00 N ATOM 340 CA GLN A 23 -5.204 -4.808 1.868 1.00 0.00 C ATOM 341 C GLN A 23 -5.322 -5.367 0.449 1.00 0.00 C ATOM 342 O GLN A 23 -6.423 -5.470 -0.092 1.00 0.00 O ATOM 343 CB GLN A 23 -6.326 -3.810 2.159 1.00 0.00 C ATOM 344 CG GLN A 23 -6.394 -2.730 1.078 1.00 0.00 C ATOM 345 CD GLN A 23 -7.440 -3.081 0.018 1.00 0.00 C ATOM 346 OE1 GLN A 23 -6.933 -3.287 -1.195 1.00 0.00 O flip ATOM 347 NE2 GLN A 23 -8.627 -3.161 0.282 1.00 0.00 N flip ATOM 0 H GLN A 23 -3.712 -3.393 1.464 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.305 -5.634 2.572 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.280 -4.335 2.214 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.162 -3.346 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.640 -1.770 1.533 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.417 -2.619 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.950 -2.991 1.234 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.297 -3.398 -0.449 1.00 0.00 H new ATOM 354 N LEU A 24 -4.175 -5.713 -0.114 1.00 0.00 N ATOM 355 CA LEU A 24 -4.135 -6.259 -1.460 1.00 0.00 C ATOM 356 C LEU A 24 -2.689 -6.599 -1.827 1.00 0.00 C ATOM 357 O LEU A 24 -2.256 -6.354 -2.951 1.00 0.00 O ATOM 358 CB LEU A 24 -4.811 -5.303 -2.446 1.00 0.00 C ATOM 359 CG LEU A 24 -4.676 -5.660 -3.927 1.00 0.00 C ATOM 360 CD1 LEU A 24 -4.751 -7.174 -4.135 1.00 0.00 C ATOM 361 CD2 LEU A 24 -5.713 -4.914 -4.768 1.00 0.00 C ATOM 0 H LEU A 24 -3.265 -5.626 0.338 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.703 -7.188 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.872 -5.250 -2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.399 -4.305 -2.294 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.693 -5.336 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.652 -7.401 -5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.944 -7.657 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.710 -7.544 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.595 -5.186 -5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.715 -5.184 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.570 -3.840 -4.654 1.00 0.00 H new ATOM 372 N ALA A 25 -1.982 -7.158 -0.856 1.00 0.00 N ATOM 373 CA ALA A 25 -0.594 -7.534 -1.062 1.00 0.00 C ATOM 374 C ALA A 25 -0.069 -8.238 0.192 1.00 0.00 C ATOM 375 O ALA A 25 0.869 -7.760 0.828 1.00 0.00 O ATOM 376 CB ALA A 25 0.224 -6.292 -1.419 1.00 0.00 C ATOM 0 H ALA A 25 -2.345 -7.360 0.076 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.505 -8.233 -1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.265 -6.574 -1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.171 -5.847 -2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.161 -5.569 -0.606 1.00 0.00 H new