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= -0.146 USER MOD Single : A 10 HIS : no HD1:sc= -0.038 X(o=-0.038,f=-0.16) USER MOD Single : A 23 GLN :FLIP amide:sc= -1.7 F(o=-3.7!,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 7 -1.243 19.347 8.721 1.00 0.00 N ATOM 81 CA LEU A 7 -1.352 17.901 8.774 1.00 0.00 C ATOM 82 C LEU A 7 -2.639 17.464 8.069 1.00 0.00 C ATOM 83 O LEU A 7 -3.491 16.813 8.672 1.00 0.00 O ATOM 84 CB LEU A 7 -1.247 17.408 10.219 1.00 0.00 C ATOM 85 CG LEU A 7 0.172 17.263 10.776 1.00 0.00 C ATOM 86 CD1 LEU A 7 0.767 15.901 10.412 1.00 0.00 C ATOM 87 CD2 LEU A 7 1.062 18.419 10.315 1.00 0.00 C ATOM 0 HA LEU A 7 -0.522 17.438 8.241 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -1.799 18.097 10.858 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.744 16.441 10.289 1.00 0.00 H new ATOM 0 HG LEU A 7 0.119 17.311 11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.775 15.824 10.819 1.00 0.00 H new ATOM 0 HD12 LEU A 7 0.145 15.109 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.805 15.799 9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.064 18.292 10.724 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.113 18.427 9.226 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.644 19.362 10.666 1.00 0.00 H new ATOM 98 N THR A 8 -2.738 17.839 6.802 1.00 0.00 N ATOM 99 CA THR A 8 -3.905 17.495 6.009 1.00 0.00 C ATOM 100 C THR A 8 -3.483 17.034 4.612 1.00 0.00 C ATOM 101 O THR A 8 -3.948 16.002 4.129 1.00 0.00 O ATOM 102 CB THR A 8 -4.839 18.705 5.992 1.00 0.00 C ATOM 103 OG1 THR A 8 -5.098 18.963 7.370 1.00 0.00 O ATOM 104 CG2 THR A 8 -6.216 18.375 5.411 1.00 0.00 C ATOM 0 H THR A 8 -2.029 18.378 6.305 1.00 0.00 H new ATOM 0 HA THR A 8 -4.446 16.655 6.445 1.00 0.00 H new ATOM 0 HB THR A 8 -4.383 19.507 5.412 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.696 19.735 7.451 1.00 0.00 H new ATOM 0 HG21 THR A 8 -6.839 19.269 5.422 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.103 18.024 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 8 -6.687 17.597 6.011 1.00 0.00 H new ATOM 132 N HIS A 10 -0.692 15.941 3.825 1.00 0.00 N ATOM 133 CA HIS A 10 0.119 14.745 3.976 1.00 0.00 C ATOM 134 C HIS A 10 -0.785 13.510 3.990 1.00 0.00 C ATOM 135 O HIS A 10 -0.340 12.409 3.672 1.00 0.00 O ATOM 136 CB HIS A 10 1.006 14.844 5.219 1.00 0.00 C ATOM 137 CG HIS A 10 2.468 15.064 4.914 1.00 0.00 C ATOM 138 ND1 HIS A 10 2.907 15.956 3.951 1.00 0.00 N ATOM 139 CD2 HIS A 10 3.586 14.500 5.455 1.00 0.00 C ATOM 140 CE1 HIS A 10 4.232 15.920 3.922 1.00 0.00 C ATOM 141 NE2 HIS A 10 4.650 15.018 4.854 1.00 0.00 N ATOM 0 HA HIS A 10 0.794 14.649 3.125 1.00 0.00 H new ATOM 0 HB2 HIS A 10 0.649 15.663 5.844 1.00 0.00 H new ATOM 0 HB3 HIS A 10 0.901 13.929 5.802 1.00 0.00 H new ATOM 0 HD2 HIS A 10 3.603 13.758 6.239 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.869 16.503 3.273 1.00 0.00 H new ATOM 0 HE2 HIS A 10 5.621 14.780 5.056 1.00 0.00 H new ATOM 149 N LEU A 11 -2.036 13.737 4.360 1.00 0.00 N ATOM 150 CA LEU A 11 -3.006 12.657 4.419 1.00 0.00 C ATOM 151 C LEU A 11 -3.304 12.166 3.000 1.00 0.00 C ATOM 152 O LEU A 11 -3.840 11.075 2.817 1.00 0.00 O ATOM 153 CB LEU A 11 -4.251 13.096 5.191 1.00 0.00 C ATOM 154 CG LEU A 11 -4.005 13.686 6.581 1.00 0.00 C ATOM 155 CD1 LEU A 11 -5.309 14.188 7.203 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.289 12.680 7.485 1.00 0.00 C ATOM 0 H LEU A 11 -2.401 14.653 4.622 1.00 0.00 H new ATOM 0 HA LEU A 11 -2.599 11.810 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.783 13.836 4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.912 12.235 5.295 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.347 14.548 6.474 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.105 14.602 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.741 14.961 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.011 13.359 7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.126 13.125 8.467 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.901 11.784 7.589 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.329 12.414 7.044 1.00 0.00 H new ATOM 167 N LEU A 12 -2.943 12.998 2.033 1.00 0.00 N ATOM 168 CA LEU A 12 -3.165 12.663 0.636 1.00 0.00 C ATOM 169 C LEU A 12 -1.898 12.027 0.062 1.00 0.00 C ATOM 170 O LEU A 12 -1.455 12.391 -1.028 1.00 0.00 O ATOM 171 CB LEU A 12 -3.643 13.892 -0.140 1.00 0.00 C ATOM 172 CG LEU A 12 -4.978 14.491 0.309 1.00 0.00 C ATOM 173 CD1 LEU A 12 -5.278 15.787 -0.445 1.00 0.00 C ATOM 174 CD2 LEU A 12 -6.111 13.472 0.170 1.00 0.00 C ATOM 0 H LEU A 12 -2.499 13.903 2.189 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.963 11.926 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.877 14.664 -0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.724 13.623 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 12 -4.900 14.744 1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.232 16.192 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.487 16.512 -0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.329 15.582 -1.514 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -7.048 13.923 0.496 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.199 13.165 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.894 12.600 0.787 1.00 0.00 H new ATOM 185 N ARG A 13 -1.349 11.088 0.819 1.00 0.00 N ATOM 186 CA ARG A 13 -0.141 10.400 0.399 1.00 0.00 C ATOM 187 C ARG A 13 0.383 9.510 1.528 1.00 0.00 C ATOM 188 O ARG A 13 0.813 8.384 1.286 1.00 0.00 O ATOM 189 CB ARG A 13 0.949 11.394 -0.006 1.00 0.00 C ATOM 190 CG ARG A 13 2.305 10.698 -0.141 1.00 0.00 C ATOM 191 CD ARG A 13 2.972 11.049 -1.471 1.00 0.00 C ATOM 192 NE ARG A 13 2.467 10.162 -2.542 1.00 0.00 N ATOM 193 CZ ARG A 13 2.914 10.177 -3.805 1.00 0.00 C ATOM 194 NH1 ARG A 13 3.880 11.034 -4.163 1.00 0.00 N ATOM 195 NH2 ARG A 13 2.396 9.334 -4.709 1.00 0.00 N ATOM 0 H ARG A 13 -1.719 10.788 1.721 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.394 9.786 -0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 13 0.683 11.865 -0.952 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.016 12.188 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.953 10.994 0.684 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.172 9.618 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.770 12.090 -1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.054 10.946 -1.383 1.00 0.00 H new ATOM 0 HE ARG A 13 1.732 9.497 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.275 11.674 -3.474 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.221 11.046 -5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.662 8.681 -4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.736 9.345 -5.671 1.00 0.00 H new ATOM 206 N GLU A 14 0.331 10.051 2.736 1.00 0.00 N ATOM 207 CA GLU A 14 0.795 9.321 3.904 1.00 0.00 C ATOM 208 C GLU A 14 -0.178 8.190 4.244 1.00 0.00 C ATOM 209 O GLU A 14 0.242 7.063 4.504 1.00 0.00 O ATOM 210 CB GLU A 14 0.984 10.258 5.097 1.00 0.00 C ATOM 211 CG GLU A 14 2.227 11.132 4.917 1.00 0.00 C ATOM 212 CD GLU A 14 3.259 10.849 6.010 1.00 0.00 C ATOM 213 OE1 GLU A 14 3.007 11.282 7.155 1.00 0.00 O ATOM 214 OE2 GLU A 14 4.278 10.206 5.675 1.00 0.00 O ATOM 0 H GLU A 14 -0.025 10.986 2.932 1.00 0.00 H new ATOM 0 HA GLU A 14 1.765 8.882 3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.104 10.891 5.210 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.076 9.673 6.012 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.668 10.945 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 14 1.943 12.184 4.943 1.00 0.00 H new ATOM 219 N VAL A 15 -1.458 8.529 4.231 1.00 0.00 N ATOM 220 CA VAL A 15 -2.493 7.556 4.534 1.00 0.00 C ATOM 221 C VAL A 15 -2.795 6.730 3.282 1.00 0.00 C ATOM 222 O VAL A 15 -2.823 5.501 3.337 1.00 0.00 O ATOM 223 CB VAL A 15 -3.729 8.264 5.094 1.00 0.00 C ATOM 224 CG1 VAL A 15 -4.865 7.270 5.343 1.00 0.00 C ATOM 225 CG2 VAL A 15 -3.387 9.036 6.371 1.00 0.00 C ATOM 0 H VAL A 15 -1.802 9.465 4.015 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.152 6.865 5.305 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.070 8.982 4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.731 7.799 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.136 6.784 4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.539 6.517 6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.282 9.530 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.009 8.344 7.124 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.625 9.784 6.151 1.00 0.00 H new ATOM 235 N LEU A 16 -3.011 7.437 2.184 1.00 0.00 N ATOM 236 CA LEU A 16 -3.308 6.785 0.919 1.00 0.00 C ATOM 237 C LEU A 16 -2.408 5.557 0.760 1.00 0.00 C ATOM 238 O LEU A 16 -2.859 4.507 0.305 1.00 0.00 O ATOM 239 CB LEU A 16 -3.200 7.781 -0.237 1.00 0.00 C ATOM 240 CG LEU A 16 -4.483 8.531 -0.598 1.00 0.00 C ATOM 241 CD1 LEU A 16 -4.197 9.669 -1.579 1.00 0.00 C ATOM 242 CD2 LEU A 16 -5.549 7.569 -1.131 1.00 0.00 C ATOM 0 H LEU A 16 -2.986 8.456 2.143 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.338 6.430 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.432 8.514 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.855 7.245 -1.121 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.881 8.983 0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.127 10.185 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.498 10.372 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.763 9.262 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.451 8.128 -1.380 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.174 7.069 -2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.782 6.825 -0.369 1.00 0.00 H new ATOM 253 N GLU A 17 -1.152 5.732 1.143 1.00 0.00 N ATOM 254 CA GLU A 17 -0.184 4.651 1.048 1.00 0.00 C ATOM 255 C GLU A 17 -0.773 3.359 1.616 1.00 0.00 C ATOM 256 O GLU A 17 -0.717 2.312 0.974 1.00 0.00 O ATOM 257 CB GLU A 17 1.119 5.019 1.760 1.00 0.00 C ATOM 258 CG GLU A 17 2.133 5.611 0.777 1.00 0.00 C ATOM 259 CD GLU A 17 3.489 5.825 1.452 1.00 0.00 C ATOM 260 OE1 GLU A 17 3.890 4.923 2.219 1.00 0.00 O ATOM 261 OE2 GLU A 17 4.095 6.885 1.185 1.00 0.00 O ATOM 0 H GLU A 17 -0.782 6.605 1.519 1.00 0.00 H new ATOM 0 HA GLU A 17 0.048 4.489 -0.005 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.914 5.738 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.541 4.133 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.249 4.944 -0.077 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.760 6.560 0.392 1.00 0.00 H new ATOM 285 N ALA A 19 -3.851 0.916 3.159 1.00 0.00 N ATOM 286 CA ALA A 19 -5.220 0.598 2.788 1.00 0.00 C ATOM 287 C ALA A 19 -5.277 0.275 1.294 1.00 0.00 C ATOM 288 O ALA A 19 -6.258 -0.292 0.815 1.00 0.00 O ATOM 289 CB ALA A 19 -6.136 1.765 3.168 1.00 0.00 C ATOM 0 HA ALA A 19 -5.570 -0.281 3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.163 1.527 2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.081 1.935 4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.817 2.664 2.642 1.00 0.00 H new ATOM 295 N ARG A 20 -4.214 0.649 0.599 1.00 0.00 N ATOM 296 CA ARG A 20 -4.130 0.406 -0.831 1.00 0.00 C ATOM 297 C ARG A 20 -2.944 -0.508 -1.146 1.00 0.00 C ATOM 298 O ARG A 20 -2.797 -0.974 -2.275 1.00 0.00 O ATOM 299 CB ARG A 20 -3.974 1.716 -1.604 1.00 0.00 C ATOM 300 CG ARG A 20 -5.288 2.502 -1.624 1.00 0.00 C ATOM 301 CD ARG A 20 -5.816 2.650 -3.053 1.00 0.00 C ATOM 302 NE ARG A 20 -7.293 2.549 -3.059 1.00 0.00 N ATOM 303 CZ ARG A 20 -8.047 2.639 -4.162 1.00 0.00 C ATOM 304 NH1 ARG A 20 -7.469 2.834 -5.355 1.00 0.00 N ATOM 305 NH2 ARG A 20 -9.380 2.536 -4.072 1.00 0.00 N ATOM 0 H ARG A 20 -3.402 1.119 1.000 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.057 -0.077 -1.140 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.191 2.321 -1.147 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.657 1.504 -2.625 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.030 1.993 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.133 3.488 -1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.507 3.610 -3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.388 1.876 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.766 2.402 -2.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.454 2.914 -5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.044 2.902 -6.195 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.820 2.389 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.955 2.605 -4.912 1.00 0.00 H new ATOM 316 N ALA A 21 -2.128 -0.739 -0.127 1.00 0.00 N ATOM 317 CA ALA A 21 -0.960 -1.588 -0.281 1.00 0.00 C ATOM 318 C ALA A 21 -0.730 -2.371 1.014 1.00 0.00 C ATOM 319 O ALA A 21 0.399 -2.468 1.492 1.00 0.00 O ATOM 320 CB ALA A 21 0.248 -0.732 -0.667 1.00 0.00 C ATOM 0 H ALA A 21 -2.254 -0.352 0.808 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.115 -2.312 -1.081 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.124 -1.370 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.046 -0.220 -1.608 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.436 0.005 0.114 1.00 0.00 H new ATOM 326 N GLU A 22 -1.819 -2.909 1.545 1.00 0.00 N ATOM 327 CA GLU A 22 -1.751 -3.679 2.774 1.00 0.00 C ATOM 328 C GLU A 22 -2.747 -4.840 2.730 1.00 0.00 C ATOM 329 O GLU A 22 -2.425 -5.953 3.140 1.00 0.00 O ATOM 330 CB GLU A 22 -1.999 -2.789 3.994 1.00 0.00 C ATOM 331 CG GLU A 22 -3.497 -2.567 4.214 1.00 0.00 C ATOM 332 CD GLU A 22 -3.742 -1.552 5.333 1.00 0.00 C ATOM 333 OE1 GLU A 22 -2.818 -1.382 6.157 1.00 0.00 O ATOM 334 OE2 GLU A 22 -4.848 -0.970 5.337 1.00 0.00 O ATOM 0 H GLU A 22 -2.754 -2.826 1.145 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.746 -4.092 2.865 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.562 -3.250 4.880 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.502 -1.829 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.955 -2.213 3.290 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.976 -3.514 4.465 1.00 0.00 H new ATOM 339 N GLN A 23 -3.936 -4.538 2.229 1.00 0.00 N ATOM 340 CA GLN A 23 -4.980 -5.542 2.126 1.00 0.00 C ATOM 341 C GLN A 23 -4.898 -6.258 0.777 1.00 0.00 C ATOM 342 O GLN A 23 -5.893 -6.794 0.293 1.00 0.00 O ATOM 343 CB GLN A 23 -6.362 -4.919 2.333 1.00 0.00 C ATOM 344 CG GLN A 23 -6.679 -3.910 1.227 1.00 0.00 C ATOM 345 CD GLN A 23 -7.415 -2.692 1.791 1.00 0.00 C ATOM 346 OE1 GLN A 23 -6.795 -2.111 2.813 1.00 0.00 O flip ATOM 347 NE2 GLN A 23 -8.476 -2.306 1.327 1.00 0.00 N flip ATOM 0 H GLN A 23 -4.199 -3.612 1.890 1.00 0.00 H new ATOM 0 HA GLN A 23 -4.827 -6.278 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.120 -5.702 2.344 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.400 -4.424 3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.755 -3.590 0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.290 -4.386 0.460 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.898 -2.799 0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.940 -1.490 1.726 1.00 0.00 H new ATOM 354 N LEU A 24 -3.702 -6.242 0.206 1.00 0.00 N ATOM 355 CA LEU A 24 -3.477 -6.883 -1.078 1.00 0.00 C ATOM 356 C LEU A 24 -2.003 -7.279 -1.194 1.00 0.00 C ATOM 357 O LEU A 24 -1.469 -7.385 -2.297 1.00 0.00 O ATOM 358 CB LEU A 24 -3.963 -5.985 -2.218 1.00 0.00 C ATOM 359 CG LEU A 24 -5.455 -5.643 -2.211 1.00 0.00 C ATOM 360 CD1 LEU A 24 -5.774 -4.565 -3.248 1.00 0.00 C ATOM 361 CD2 LEU A 24 -6.306 -6.898 -2.408 1.00 0.00 C ATOM 0 H LEU A 24 -2.879 -5.795 0.610 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.062 -7.800 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.397 -5.054 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.726 -6.472 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.708 -5.234 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.840 -4.340 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.207 -3.662 -3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.502 -4.923 -4.241 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.362 -6.627 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.058 -7.359 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.106 -7.604 -1.602 1.00 0.00 H new ATOM 372 N ALA A 25 -1.388 -7.489 -0.039 1.00 0.00 N ATOM 373 CA ALA A 25 0.014 -7.871 0.003 1.00 0.00 C ATOM 374 C ALA A 25 0.171 -9.123 0.869 1.00 0.00 C ATOM 375 O ALA A 25 0.989 -9.150 1.786 1.00 0.00 O ATOM 376 CB ALA A 25 0.848 -6.698 0.519 1.00 0.00 C ATOM 0 H ALA A 25 -1.834 -7.402 0.874 1.00 0.00 H new ATOM 0 HA ALA A 25 0.376 -8.113 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.899 -6.985 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.725 -5.843 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.515 -6.428 1.521 1.00 0.00 H new