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= 0 X(o=0,f=-0.054) USER MOD Single : A 23 GLN :FLIP amide:sc= -3.04! C(o=-3.8!,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 0.259 18.557 8.613 1.00 0.00 N ATOM 81 CA LEU A 7 -0.085 17.390 9.406 1.00 0.00 C ATOM 82 C LEU A 7 -1.113 16.549 8.647 1.00 0.00 C ATOM 83 O LEU A 7 -0.904 15.356 8.426 1.00 0.00 O ATOM 84 CB LEU A 7 -0.545 17.809 10.804 1.00 0.00 C ATOM 85 CG LEU A 7 0.263 17.243 11.974 1.00 0.00 C ATOM 86 CD1 LEU A 7 -0.069 17.974 13.275 1.00 0.00 C ATOM 87 CD2 LEU A 7 0.062 15.731 12.099 1.00 0.00 C ATOM 0 HA LEU A 7 0.792 16.761 9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.518 18.897 10.863 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.585 17.508 10.928 1.00 0.00 H new ATOM 0 HG LEU A 7 1.321 17.412 11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.519 17.552 14.090 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.167 19.033 13.168 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.130 17.859 13.496 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.647 15.354 12.938 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.993 15.517 12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.389 15.243 11.181 1.00 0.00 H new ATOM 98 N THR A 8 -2.202 17.202 8.270 1.00 0.00 N ATOM 99 CA THR A 8 -3.263 16.528 7.539 1.00 0.00 C ATOM 100 C THR A 8 -2.778 16.120 6.148 1.00 0.00 C ATOM 101 O THR A 8 -2.983 14.984 5.723 1.00 0.00 O ATOM 102 CB THR A 8 -4.480 17.457 7.511 1.00 0.00 C ATOM 103 OG1 THR A 8 -4.891 17.532 8.874 1.00 0.00 O ATOM 104 CG2 THR A 8 -5.677 16.830 6.794 1.00 0.00 C ATOM 0 H THR A 8 -2.373 18.190 8.456 1.00 0.00 H new ATOM 0 HA THR A 8 -3.554 15.600 8.031 1.00 0.00 H new ATOM 0 HB THR A 8 -4.212 18.393 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.674 18.116 8.948 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.513 17.529 6.802 1.00 0.00 H new ATOM 0 HG22 THR A 8 -5.405 16.601 5.764 1.00 0.00 H new ATOM 0 HG23 THR A 8 -5.967 15.912 7.305 1.00 0.00 H new ATOM 132 N HIS A 10 0.007 15.498 5.320 1.00 0.00 N ATOM 133 CA HIS A 10 1.014 14.463 5.479 1.00 0.00 C ATOM 134 C HIS A 10 0.354 13.179 5.987 1.00 0.00 C ATOM 135 O HIS A 10 1.042 12.243 6.392 1.00 0.00 O ATOM 136 CB HIS A 10 2.150 14.944 6.384 1.00 0.00 C ATOM 137 CG HIS A 10 3.504 14.959 5.715 1.00 0.00 C ATOM 138 ND1 HIS A 10 3.777 15.720 4.591 1.00 0.00 N ATOM 139 CD2 HIS A 10 4.657 14.298 6.022 1.00 0.00 C ATOM 140 CE1 HIS A 10 5.040 15.519 4.247 1.00 0.00 C ATOM 141 NE2 HIS A 10 5.584 14.636 5.135 1.00 0.00 N ATOM 0 HA HIS A 10 1.467 14.240 4.513 1.00 0.00 H new ATOM 0 HB2 HIS A 10 1.919 15.949 6.736 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.198 14.301 7.263 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.792 13.615 6.848 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.550 15.974 3.411 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.544 14.293 5.119 1.00 0.00 H new ATOM 149 N LEU A 11 -0.969 13.177 5.949 1.00 0.00 N ATOM 150 CA LEU A 11 -1.729 12.024 6.400 1.00 0.00 C ATOM 151 C LEU A 11 -2.438 11.385 5.204 1.00 0.00 C ATOM 152 O LEU A 11 -2.571 10.164 5.136 1.00 0.00 O ATOM 153 CB LEU A 11 -2.675 12.417 7.537 1.00 0.00 C ATOM 154 CG LEU A 11 -4.159 12.503 7.175 1.00 0.00 C ATOM 155 CD1 LEU A 11 -4.737 11.114 6.896 1.00 0.00 C ATOM 156 CD2 LEU A 11 -4.946 13.244 8.259 1.00 0.00 C ATOM 0 H LEU A 11 -1.535 13.956 5.613 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.063 11.269 6.817 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.560 11.695 8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.360 13.385 7.927 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.253 13.082 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.793 11.204 6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.201 10.657 6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.630 10.490 7.783 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.998 13.291 7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.848 12.714 9.206 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.554 14.255 8.367 1.00 0.00 H new ATOM 167 N LEU A 12 -2.874 12.240 4.290 1.00 0.00 N ATOM 168 CA LEU A 12 -3.565 11.773 3.100 1.00 0.00 C ATOM 169 C LEU A 12 -2.651 10.824 2.323 1.00 0.00 C ATOM 170 O LEU A 12 -2.972 9.649 2.153 1.00 0.00 O ATOM 171 CB LEU A 12 -4.066 12.959 2.273 1.00 0.00 C ATOM 172 CG LEU A 12 -5.182 13.794 2.903 1.00 0.00 C ATOM 173 CD1 LEU A 12 -5.360 15.121 2.163 1.00 0.00 C ATOM 174 CD2 LEU A 12 -6.487 12.999 2.976 1.00 0.00 C ATOM 0 H LEU A 12 -2.762 13.252 4.350 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.454 11.205 3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.221 13.615 2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.419 12.583 1.313 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.893 14.033 3.926 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.160 15.695 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.431 15.690 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.616 14.925 1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.264 13.616 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.793 12.709 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.335 12.105 3.581 1.00 0.00 H new ATOM 185 N ARG A 13 -1.530 11.369 1.873 1.00 0.00 N ATOM 186 CA ARG A 13 -0.568 10.584 1.119 1.00 0.00 C ATOM 187 C ARG A 13 -0.042 9.426 1.971 1.00 0.00 C ATOM 188 O ARG A 13 0.154 8.320 1.468 1.00 0.00 O ATOM 189 CB ARG A 13 0.611 11.448 0.663 1.00 0.00 C ATOM 190 CG ARG A 13 1.775 10.578 0.184 1.00 0.00 C ATOM 191 CD ARG A 13 2.294 11.056 -1.174 1.00 0.00 C ATOM 192 NE ARG A 13 3.214 10.049 -1.747 1.00 0.00 N ATOM 193 CZ ARG A 13 3.996 10.267 -2.813 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.975 11.457 -3.428 1.00 0.00 N ATOM 195 NH2 ARG A 13 4.800 9.295 -3.263 1.00 0.00 N ATOM 0 H ARG A 13 -1.267 12.344 2.016 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.078 10.190 0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.292 12.110 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 13 0.941 12.083 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.582 10.608 0.917 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.451 9.540 0.109 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.458 11.225 -1.853 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.810 12.009 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 13 3.256 9.132 -1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.363 12.198 -3.085 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.571 11.622 -4.239 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.817 8.389 -2.794 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.395 9.460 -4.074 1.00 0.00 H new ATOM 206 N GLU A 14 0.171 9.719 3.245 1.00 0.00 N ATOM 207 CA GLU A 14 0.669 8.716 4.171 1.00 0.00 C ATOM 208 C GLU A 14 -0.339 7.574 4.308 1.00 0.00 C ATOM 209 O GLU A 14 0.027 6.403 4.214 1.00 0.00 O ATOM 210 CB GLU A 14 0.984 9.337 5.533 1.00 0.00 C ATOM 211 CG GLU A 14 2.281 10.147 5.480 1.00 0.00 C ATOM 212 CD GLU A 14 3.459 9.269 5.052 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.644 9.130 3.823 1.00 0.00 O ATOM 214 OE2 GLU A 14 4.146 8.759 5.962 1.00 0.00 O ATOM 0 H GLU A 14 0.008 10.637 3.658 1.00 0.00 H new ATOM 0 HA GLU A 14 1.597 8.308 3.771 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.161 9.982 5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.072 8.551 6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.168 10.976 4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.483 10.581 6.459 1.00 0.00 H new ATOM 219 N VAL A 15 -1.590 7.953 4.529 1.00 0.00 N ATOM 220 CA VAL A 15 -2.652 6.974 4.681 1.00 0.00 C ATOM 221 C VAL A 15 -2.957 6.345 3.321 1.00 0.00 C ATOM 222 O VAL A 15 -2.824 5.134 3.149 1.00 0.00 O ATOM 223 CB VAL A 15 -3.876 7.627 5.326 1.00 0.00 C ATOM 224 CG1 VAL A 15 -5.124 6.765 5.130 1.00 0.00 C ATOM 225 CG2 VAL A 15 -3.631 7.908 6.810 1.00 0.00 C ATOM 0 H VAL A 15 -1.891 8.925 4.606 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.339 6.171 5.348 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.047 8.582 4.829 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.980 7.252 5.598 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.316 6.640 4.064 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.967 5.788 5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.517 8.372 7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.422 6.972 7.328 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.780 8.580 6.917 1.00 0.00 H new ATOM 235 N LEU A 16 -3.362 7.195 2.388 1.00 0.00 N ATOM 236 CA LEU A 16 -3.687 6.736 1.048 1.00 0.00 C ATOM 237 C LEU A 16 -2.679 5.668 0.620 1.00 0.00 C ATOM 238 O LEU A 16 -3.044 4.692 -0.034 1.00 0.00 O ATOM 239 CB LEU A 16 -3.774 7.921 0.083 1.00 0.00 C ATOM 240 CG LEU A 16 -5.032 8.785 0.193 1.00 0.00 C ATOM 241 CD1 LEU A 16 -4.843 10.122 -0.526 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.263 8.030 -0.315 1.00 0.00 C ATOM 0 H LEU A 16 -3.472 8.198 2.534 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.672 6.269 1.034 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.904 8.559 0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.707 7.540 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.203 9.007 1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.752 10.717 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.008 10.661 -0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.634 9.942 -1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.143 8.667 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.117 7.758 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.407 7.127 0.279 1.00 0.00 H new ATOM 253 N GLU A 17 -1.431 5.888 1.008 1.00 0.00 N ATOM 254 CA GLU A 17 -0.369 4.955 0.672 1.00 0.00 C ATOM 255 C GLU A 17 -0.655 3.582 1.284 1.00 0.00 C ATOM 256 O GLU A 17 -0.721 2.583 0.570 1.00 0.00 O ATOM 257 CB GLU A 17 0.991 5.487 1.130 1.00 0.00 C ATOM 258 CG GLU A 17 1.794 6.031 -0.054 1.00 0.00 C ATOM 259 CD GLU A 17 3.279 5.695 0.090 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.625 4.525 -0.183 1.00 0.00 O ATOM 261 OE2 GLU A 17 4.035 6.615 0.470 1.00 0.00 O ATOM 0 H GLU A 17 -1.132 6.698 1.551 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.335 4.847 -0.412 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.847 6.275 1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.551 4.690 1.619 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.410 5.609 -0.983 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.667 7.112 -0.119 1.00 0.00 H new ATOM 285 N ALA A 19 -2.884 0.754 3.595 1.00 0.00 N ATOM 286 CA ALA A 19 -4.260 0.287 3.584 1.00 0.00 C ATOM 287 C ALA A 19 -4.590 -0.281 2.202 1.00 0.00 C ATOM 288 O ALA A 19 -5.440 -1.161 2.076 1.00 0.00 O ATOM 289 CB ALA A 19 -5.191 1.434 3.981 1.00 0.00 C ATOM 0 HA ALA A 19 -4.400 -0.513 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.223 1.084 3.973 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.934 1.782 4.981 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.080 2.254 3.272 1.00 0.00 H new ATOM 295 N ARG A 20 -3.902 0.246 1.201 1.00 0.00 N ATOM 296 CA ARG A 20 -4.112 -0.198 -0.167 1.00 0.00 C ATOM 297 C ARG A 20 -3.150 -1.338 -0.509 1.00 0.00 C ATOM 298 O ARG A 20 -3.505 -2.254 -1.247 1.00 0.00 O ATOM 299 CB ARG A 20 -3.903 0.950 -1.157 1.00 0.00 C ATOM 300 CG ARG A 20 -4.358 2.282 -0.555 1.00 0.00 C ATOM 301 CD ARG A 20 -5.796 2.188 -0.040 1.00 0.00 C ATOM 302 NE ARG A 20 -6.746 2.476 -1.136 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.077 2.383 -1.020 1.00 0.00 C ATOM 304 NH1 ARG A 20 -8.624 2.008 0.145 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.864 2.665 -2.068 1.00 0.00 N ATOM 0 H ARG A 20 -3.198 0.976 1.309 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.141 -0.549 -0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.850 1.011 -1.431 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.460 0.751 -2.073 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.693 2.562 0.262 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.288 3.068 -1.307 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.983 1.192 0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.945 2.894 0.777 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.364 2.764 -2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.026 1.793 0.943 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.638 1.937 0.233 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.449 2.951 -2.955 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.878 2.594 -1.978 1.00 0.00 H new ATOM 316 N ALA A 21 -1.950 -1.243 0.045 1.00 0.00 N ATOM 317 CA ALA A 21 -0.933 -2.254 -0.192 1.00 0.00 C ATOM 318 C ALA A 21 -1.348 -3.557 0.495 1.00 0.00 C ATOM 319 O ALA A 21 -1.090 -4.644 -0.021 1.00 0.00 O ATOM 320 CB ALA A 21 0.422 -1.741 0.299 1.00 0.00 C ATOM 0 H ALA A 21 -1.659 -0.481 0.658 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.836 -2.459 -1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.184 -2.499 0.121 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.683 -0.830 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.365 -1.527 1.366 1.00 0.00 H new ATOM 326 N GLU A 22 -1.984 -3.405 1.647 1.00 0.00 N ATOM 327 CA GLU A 22 -2.436 -4.556 2.410 1.00 0.00 C ATOM 328 C GLU A 22 -3.624 -5.222 1.711 1.00 0.00 C ATOM 329 O GLU A 22 -3.948 -6.375 1.993 1.00 0.00 O ATOM 330 CB GLU A 22 -2.796 -4.159 3.842 1.00 0.00 C ATOM 331 CG GLU A 22 -3.547 -5.286 4.553 1.00 0.00 C ATOM 332 CD GLU A 22 -3.309 -5.237 6.063 1.00 0.00 C ATOM 333 OE1 GLU A 22 -4.017 -4.448 6.724 1.00 0.00 O ATOM 334 OE2 GLU A 22 -2.423 -5.991 6.523 1.00 0.00 O ATOM 0 H GLU A 22 -2.197 -2.502 2.071 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.619 -5.275 2.463 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.888 -3.917 4.395 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.411 -3.259 3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.614 -5.203 4.347 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.220 -6.249 4.161 1.00 0.00 H new ATOM 339 N GLN A 23 -4.241 -4.468 0.814 1.00 0.00 N ATOM 340 CA GLN A 23 -5.385 -4.970 0.073 1.00 0.00 C ATOM 341 C GLN A 23 -4.933 -5.570 -1.259 1.00 0.00 C ATOM 342 O GLN A 23 -5.673 -5.537 -2.242 1.00 0.00 O ATOM 343 CB GLN A 23 -6.423 -3.867 -0.147 1.00 0.00 C ATOM 344 CG GLN A 23 -7.512 -3.918 0.927 1.00 0.00 C ATOM 345 CD GLN A 23 -7.598 -2.591 1.684 1.00 0.00 C ATOM 346 OE1 GLN A 23 -7.616 -1.519 0.896 1.00 0.00 O flip ATOM 347 NE2 GLN A 23 -7.647 -2.543 2.902 1.00 0.00 N flip ATOM 0 H GLN A 23 -3.970 -3.512 0.583 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.857 -5.756 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -5.934 -2.893 -0.128 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.874 -3.978 -1.133 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.474 -4.140 0.465 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.300 -4.727 1.626 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.629 -3.405 3.447 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.706 -1.641 3.375 1.00 0.00 H new ATOM 354 N LEU A 24 -3.722 -6.106 -1.249 1.00 0.00 N ATOM 355 CA LEU A 24 -3.162 -6.713 -2.446 1.00 0.00 C ATOM 356 C LEU A 24 -1.673 -6.981 -2.227 1.00 0.00 C ATOM 357 O LEU A 24 -0.856 -6.733 -3.113 1.00 0.00 O ATOM 358 CB LEU A 24 -3.457 -5.849 -3.674 1.00 0.00 C ATOM 359 CG LEU A 24 -3.329 -4.337 -3.477 1.00 0.00 C ATOM 360 CD1 LEU A 24 -1.971 -3.834 -3.973 1.00 0.00 C ATOM 361 CD2 LEU A 24 -4.491 -3.596 -4.140 1.00 0.00 C ATOM 0 H LEU A 24 -3.112 -6.133 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.635 -7.676 -2.641 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.782 -6.149 -4.475 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.470 -6.067 -4.012 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.382 -4.126 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.905 -2.757 -3.822 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.175 -4.328 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.865 -4.059 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.375 -2.523 -3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.496 -3.809 -5.209 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.432 -3.927 -3.700 1.00 0.00 H new ATOM 372 N ALA A 25 -1.362 -7.485 -1.042 1.00 0.00 N ATOM 373 CA ALA A 25 0.016 -7.790 -0.695 1.00 0.00 C ATOM 374 C ALA A 25 0.081 -8.247 0.764 1.00 0.00 C ATOM 375 O ALA A 25 0.994 -7.867 1.496 1.00 0.00 O ATOM 376 CB ALA A 25 0.893 -6.566 -0.963 1.00 0.00 C ATOM 0 H ALA A 25 -2.041 -7.690 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 25 0.396 -8.604 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.926 -6.795 -0.703 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.835 -6.301 -2.019 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.544 -5.729 -0.359 1.00 0.00 H new