USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=1 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= -0.0485 X(o=-0.049,f=-0.24) USER MOD Single : A 23 GLN : amide:sc= -5.86! C(o=-5.9!,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -1.215 17.858 11.083 1.00 0.00 N ATOM 81 CA LEU A 7 -0.645 16.791 10.280 1.00 0.00 C ATOM 82 C LEU A 7 -1.772 15.918 9.725 1.00 0.00 C ATOM 83 O LEU A 7 -1.646 14.694 9.674 1.00 0.00 O ATOM 84 CB LEU A 7 0.398 16.012 11.083 1.00 0.00 C ATOM 85 CG LEU A 7 1.682 16.769 11.427 1.00 0.00 C ATOM 86 CD1 LEU A 7 2.666 16.740 10.255 1.00 0.00 C ATOM 87 CD2 LEU A 7 1.373 18.197 11.880 1.00 0.00 C ATOM 0 HA LEU A 7 -0.110 17.204 9.425 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.063 15.678 12.012 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.667 15.118 10.521 1.00 0.00 H new ATOM 0 HG LEU A 7 2.162 16.263 12.264 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.570 17.285 10.526 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.922 15.707 10.020 1.00 0.00 H new ATOM 0 HD13 LEU A 7 2.208 17.207 9.383 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.303 18.712 12.118 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.858 18.729 11.080 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.737 18.168 12.765 1.00 0.00 H new ATOM 98 N THR A 8 -2.847 16.578 9.324 1.00 0.00 N ATOM 99 CA THR A 8 -3.996 15.878 8.775 1.00 0.00 C ATOM 100 C THR A 8 -3.916 15.837 7.248 1.00 0.00 C ATOM 101 O THR A 8 -4.162 14.798 6.637 1.00 0.00 O ATOM 102 CB THR A 8 -5.261 16.560 9.300 1.00 0.00 C ATOM 103 OG1 THR A 8 -5.422 16.030 10.613 1.00 0.00 O ATOM 104 CG2 THR A 8 -6.520 16.107 8.559 1.00 0.00 C ATOM 0 H THR A 8 -2.947 17.592 9.368 1.00 0.00 H new ATOM 0 HA THR A 8 -4.015 14.836 9.096 1.00 0.00 H new ATOM 0 HB THR A 8 -5.155 17.641 9.209 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.219 16.421 11.028 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.389 16.621 8.970 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.425 16.346 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.645 15.031 8.678 1.00 0.00 H new ATOM 132 N HIS A 10 -1.642 15.530 5.521 1.00 0.00 N ATOM 133 CA HIS A 10 -0.707 14.490 5.125 1.00 0.00 C ATOM 134 C HIS A 10 -1.419 13.135 5.121 1.00 0.00 C ATOM 135 O HIS A 10 -0.961 12.192 4.477 1.00 0.00 O ATOM 136 CB HIS A 10 0.534 14.505 6.019 1.00 0.00 C ATOM 137 CG HIS A 10 1.572 15.525 5.612 1.00 0.00 C ATOM 138 ND1 HIS A 10 2.150 15.544 4.355 1.00 0.00 N ATOM 139 CD2 HIS A 10 2.128 16.557 6.308 1.00 0.00 C ATOM 140 CE1 HIS A 10 3.014 16.548 4.308 1.00 0.00 C ATOM 141 NE2 HIS A 10 2.999 17.174 5.520 1.00 0.00 N ATOM 0 HA HIS A 10 -0.354 14.680 4.111 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.227 14.704 7.046 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.989 13.515 6.008 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.898 16.827 7.328 1.00 0.00 H new ATOM 0 HE1 HIS A 10 3.623 16.822 3.459 1.00 0.00 H new ATOM 0 HE2 HIS A 10 3.564 17.983 5.778 1.00 0.00 H new ATOM 149 N LEU A 11 -2.525 13.082 5.846 1.00 0.00 N ATOM 150 CA LEU A 11 -3.304 11.859 5.935 1.00 0.00 C ATOM 151 C LEU A 11 -3.850 11.506 4.550 1.00 0.00 C ATOM 152 O LEU A 11 -4.329 10.394 4.333 1.00 0.00 O ATOM 153 CB LEU A 11 -4.388 11.990 7.007 1.00 0.00 C ATOM 154 CG LEU A 11 -3.895 12.269 8.428 1.00 0.00 C ATOM 155 CD1 LEU A 11 -5.061 12.624 9.353 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.074 11.095 8.965 1.00 0.00 C ATOM 0 H LEU A 11 -2.901 13.867 6.378 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.673 11.028 6.252 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.065 12.792 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.971 11.069 7.020 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.234 13.135 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.683 12.818 10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.566 13.514 8.977 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.766 11.793 9.385 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.736 11.320 9.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.691 10.196 8.980 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.209 10.931 8.322 1.00 0.00 H new ATOM 167 N LEU A 12 -3.759 12.472 3.648 1.00 0.00 N ATOM 168 CA LEU A 12 -4.236 12.277 2.291 1.00 0.00 C ATOM 169 C LEU A 12 -3.101 11.720 1.430 1.00 0.00 C ATOM 170 O LEU A 12 -2.925 12.135 0.285 1.00 0.00 O ATOM 171 CB LEU A 12 -4.845 13.571 1.745 1.00 0.00 C ATOM 172 CG LEU A 12 -3.909 14.456 0.920 1.00 0.00 C ATOM 173 CD1 LEU A 12 -4.139 14.251 -0.579 1.00 0.00 C ATOM 174 CD2 LEU A 12 -4.045 15.925 1.325 1.00 0.00 C ATOM 0 H LEU A 12 -3.361 13.393 3.832 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.040 11.541 2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.706 13.312 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.219 14.156 2.585 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.882 14.157 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.461 14.892 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.951 13.209 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.169 14.506 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.369 16.532 0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.071 16.254 1.161 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.792 16.037 2.379 1.00 0.00 H new ATOM 185 N ARG A 13 -2.360 10.790 2.014 1.00 0.00 N ATOM 186 CA ARG A 13 -1.247 10.173 1.313 1.00 0.00 C ATOM 187 C ARG A 13 -0.470 9.253 2.259 1.00 0.00 C ATOM 188 O ARG A 13 0.050 8.221 1.839 1.00 0.00 O ATOM 189 CB ARG A 13 -0.297 11.230 0.748 1.00 0.00 C ATOM 190 CG ARG A 13 -0.002 12.315 1.786 1.00 0.00 C ATOM 191 CD ARG A 13 0.975 13.354 1.232 1.00 0.00 C ATOM 192 NE ARG A 13 2.333 13.104 1.763 1.00 0.00 N ATOM 193 CZ ARG A 13 3.371 13.936 1.592 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.211 15.074 0.903 1.00 0.00 N ATOM 195 NH2 ARG A 13 4.568 13.627 2.108 1.00 0.00 N ATOM 0 H ARG A 13 -2.508 10.449 2.964 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.657 9.591 0.487 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.634 10.757 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.738 11.682 -0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.931 12.804 2.080 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.416 11.860 2.684 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.987 13.310 0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.647 14.357 1.506 1.00 0.00 H new ATOM 0 HE ARG A 13 2.490 12.246 2.292 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.300 15.308 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.000 15.707 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.690 12.759 2.631 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.358 14.259 1.978 1.00 0.00 H new ATOM 206 N GLU A 14 -0.416 9.661 3.518 1.00 0.00 N ATOM 207 CA GLU A 14 0.288 8.888 4.527 1.00 0.00 C ATOM 208 C GLU A 14 -0.467 7.592 4.824 1.00 0.00 C ATOM 209 O GLU A 14 0.136 6.522 4.907 1.00 0.00 O ATOM 210 CB GLU A 14 0.494 9.708 5.803 1.00 0.00 C ATOM 211 CG GLU A 14 1.598 10.750 5.613 1.00 0.00 C ATOM 212 CD GLU A 14 2.982 10.106 5.715 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.081 8.912 5.361 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.911 10.823 6.145 1.00 0.00 O ATOM 0 H GLU A 14 -0.849 10.518 3.863 1.00 0.00 H new ATOM 0 HA GLU A 14 1.273 8.631 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.437 10.205 6.074 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.753 9.045 6.628 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.487 11.230 4.641 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.500 11.531 6.367 1.00 0.00 H new ATOM 219 N VAL A 15 -1.776 7.727 4.974 1.00 0.00 N ATOM 220 CA VAL A 15 -2.621 6.580 5.260 1.00 0.00 C ATOM 221 C VAL A 15 -2.889 5.814 3.963 1.00 0.00 C ATOM 222 O VAL A 15 -2.554 4.635 3.853 1.00 0.00 O ATOM 223 CB VAL A 15 -3.901 7.034 5.962 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.918 5.893 6.042 1.00 0.00 C ATOM 225 CG2 VAL A 15 -3.595 7.594 7.353 1.00 0.00 C ATOM 0 H VAL A 15 -2.273 8.615 4.903 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.118 5.896 5.944 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.342 7.834 5.368 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.819 6.243 6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.171 5.560 5.035 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.489 5.062 6.602 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.523 7.910 7.830 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.119 6.823 7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.925 8.449 7.262 1.00 0.00 H new ATOM 235 N LEU A 16 -3.491 6.515 3.013 1.00 0.00 N ATOM 236 CA LEU A 16 -3.808 5.917 1.729 1.00 0.00 C ATOM 237 C LEU A 16 -2.646 5.026 1.284 1.00 0.00 C ATOM 238 O LEU A 16 -2.858 3.991 0.655 1.00 0.00 O ATOM 239 CB LEU A 16 -4.180 6.997 0.711 1.00 0.00 C ATOM 240 CG LEU A 16 -5.428 7.821 1.032 1.00 0.00 C ATOM 241 CD1 LEU A 16 -5.436 9.133 0.245 1.00 0.00 C ATOM 242 CD2 LEU A 16 -6.700 7.003 0.797 1.00 0.00 C ATOM 0 H LEU A 16 -3.767 7.492 3.108 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.686 5.277 1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.335 7.678 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.323 6.520 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.403 8.081 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.334 9.700 0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.554 9.719 0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.426 8.917 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.573 7.612 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.745 6.692 -0.247 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.689 6.121 1.438 1.00 0.00 H new ATOM 253 N GLU A 17 -1.443 5.462 1.628 1.00 0.00 N ATOM 254 CA GLU A 17 -0.247 4.718 1.273 1.00 0.00 C ATOM 255 C GLU A 17 -0.445 3.228 1.558 1.00 0.00 C ATOM 256 O GLU A 17 -0.311 2.398 0.660 1.00 0.00 O ATOM 257 CB GLU A 17 0.976 5.261 2.015 1.00 0.00 C ATOM 258 CG GLU A 17 2.168 5.411 1.068 1.00 0.00 C ATOM 259 CD GLU A 17 3.262 4.393 1.396 1.00 0.00 C ATOM 260 OE1 GLU A 17 4.067 4.695 2.302 1.00 0.00 O ATOM 261 OE2 GLU A 17 3.267 3.333 0.732 1.00 0.00 O ATOM 0 H GLU A 17 -1.271 6.322 2.149 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.068 4.843 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.737 6.227 2.460 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.238 4.589 2.832 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.838 5.276 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.572 6.421 1.143 1.00 0.00 H new ATOM 285 N ALA A 19 -3.028 1.548 1.957 1.00 0.00 N ATOM 286 CA ALA A 19 -4.425 1.247 1.692 1.00 0.00 C ATOM 287 C ALA A 19 -4.565 0.706 0.268 1.00 0.00 C ATOM 288 O ALA A 19 -5.677 0.553 -0.234 1.00 0.00 O ATOM 289 CB ALA A 19 -5.269 2.502 1.926 1.00 0.00 C ATOM 0 HA ALA A 19 -4.789 0.477 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.317 2.278 1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.157 2.828 2.960 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.935 3.295 1.257 1.00 0.00 H new ATOM 295 N ARG A 20 -3.421 0.430 -0.341 1.00 0.00 N ATOM 296 CA ARG A 20 -3.403 -0.090 -1.698 1.00 0.00 C ATOM 297 C ARG A 20 -2.348 -1.190 -1.830 1.00 0.00 C ATOM 298 O ARG A 20 -1.877 -1.474 -2.930 1.00 0.00 O ATOM 299 CB ARG A 20 -3.104 1.018 -2.709 1.00 0.00 C ATOM 300 CG ARG A 20 -4.219 2.066 -2.720 1.00 0.00 C ATOM 301 CD ARG A 20 -5.060 1.959 -3.994 1.00 0.00 C ATOM 302 NE ARG A 20 -6.275 1.157 -3.733 1.00 0.00 N ATOM 303 CZ ARG A 20 -6.995 0.551 -4.686 1.00 0.00 C ATOM 304 NH1 ARG A 20 -6.626 0.652 -5.970 1.00 0.00 N ATOM 305 NH2 ARG A 20 -8.084 -0.157 -4.356 1.00 0.00 N ATOM 0 H ARG A 20 -2.501 0.557 0.080 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.390 -0.501 -1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.155 1.494 -2.462 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.995 0.587 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.857 1.932 -1.847 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -3.786 3.064 -2.649 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.339 2.954 -4.340 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.474 1.498 -4.789 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.584 1.059 -2.766 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.797 1.190 -6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.174 0.191 -6.696 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.365 -0.235 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.632 -0.618 -5.082 1.00 0.00 H new ATOM 316 N ALA A 21 -2.008 -1.779 -0.693 1.00 0.00 N ATOM 317 CA ALA A 21 -1.018 -2.842 -0.667 1.00 0.00 C ATOM 318 C ALA A 21 -1.390 -3.855 0.417 1.00 0.00 C ATOM 319 O ALA A 21 -1.375 -5.061 0.177 1.00 0.00 O ATOM 320 CB ALA A 21 0.372 -2.239 -0.450 1.00 0.00 C ATOM 0 H ALA A 21 -2.401 -1.540 0.217 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.999 -3.372 -1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.115 -3.036 -0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.600 -1.550 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.391 -1.701 0.498 1.00 0.00 H new ATOM 326 N GLU A 22 -1.717 -3.327 1.588 1.00 0.00 N ATOM 327 CA GLU A 22 -2.092 -4.170 2.710 1.00 0.00 C ATOM 328 C GLU A 22 -3.392 -4.918 2.400 1.00 0.00 C ATOM 329 O GLU A 22 -3.646 -5.984 2.958 1.00 0.00 O ATOM 330 CB GLU A 22 -2.225 -3.348 3.993 1.00 0.00 C ATOM 331 CG GLU A 22 -2.392 -4.257 5.212 1.00 0.00 C ATOM 332 CD GLU A 22 -2.044 -3.512 6.503 1.00 0.00 C ATOM 333 OE1 GLU A 22 -2.808 -2.585 6.846 1.00 0.00 O ATOM 334 OE2 GLU A 22 -1.023 -3.888 7.118 1.00 0.00 O ATOM 0 H GLU A 22 -1.730 -2.326 1.783 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.302 -4.904 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.342 -2.721 4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.082 -2.679 3.913 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.419 -4.619 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.750 -5.132 5.108 1.00 0.00 H new ATOM 339 N GLN A 23 -4.179 -4.328 1.513 1.00 0.00 N ATOM 340 CA GLN A 23 -5.445 -4.925 1.123 1.00 0.00 C ATOM 341 C GLN A 23 -5.363 -5.453 -0.311 1.00 0.00 C ATOM 342 O GLN A 23 -6.363 -5.472 -1.027 1.00 0.00 O ATOM 343 CB GLN A 23 -6.593 -3.924 1.274 1.00 0.00 C ATOM 344 CG GLN A 23 -6.426 -2.750 0.308 1.00 0.00 C ATOM 345 CD GLN A 23 -6.843 -1.433 0.968 1.00 0.00 C ATOM 346 OE1 GLN A 23 -7.628 -0.664 0.439 1.00 0.00 O ATOM 347 NE2 GLN A 23 -6.273 -1.218 2.150 1.00 0.00 N ATOM 0 H GLN A 23 -3.965 -3.443 1.053 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.649 -5.764 1.788 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.543 -4.423 1.084 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.626 -3.555 2.299 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.387 -2.686 -0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.028 -2.920 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.624 -1.904 2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -6.485 -0.367 2.671 1.00 0.00 H new ATOM 354 N LEU A 24 -4.163 -5.868 -0.688 1.00 0.00 N ATOM 355 CA LEU A 24 -3.938 -6.395 -2.023 1.00 0.00 C ATOM 356 C LEU A 24 -2.459 -6.754 -2.183 1.00 0.00 C ATOM 357 O LEU A 24 -1.874 -6.532 -3.241 1.00 0.00 O ATOM 358 CB LEU A 24 -4.450 -5.414 -3.080 1.00 0.00 C ATOM 359 CG LEU A 24 -3.972 -3.968 -2.939 1.00 0.00 C ATOM 360 CD1 LEU A 24 -2.857 -3.660 -3.940 1.00 0.00 C ATOM 361 CD2 LEU A 24 -5.142 -2.989 -3.064 1.00 0.00 C ATOM 0 H LEU A 24 -3.336 -5.850 -0.092 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.507 -7.313 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.152 -5.780 -4.062 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.540 -5.420 -3.055 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.553 -3.842 -1.941 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.535 -2.626 -3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.013 -4.326 -3.761 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.227 -3.808 -4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.775 -1.968 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.613 -3.108 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.873 -3.193 -2.281 1.00 0.00 H new ATOM 372 N ALA A 25 -1.898 -7.303 -1.114 1.00 0.00 N ATOM 373 CA ALA A 25 -0.498 -7.695 -1.124 1.00 0.00 C ATOM 374 C ALA A 25 -0.053 -8.007 0.306 1.00 0.00 C ATOM 375 O ALA A 25 0.938 -7.458 0.785 1.00 0.00 O ATOM 376 CB ALA A 25 0.338 -6.587 -1.766 1.00 0.00 C ATOM 0 H ALA A 25 -2.387 -7.485 -0.237 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.355 -8.597 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.388 -6.881 -1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.000 -6.423 -2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.223 -5.667 -1.194 1.00 0.00 H new