USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 134 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 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 0.204 -0.850 -0.151 1.00 0.00 N ATOM 2 CA PHE A 1 1.211 -1.112 -1.172 1.00 0.00 C ATOM 3 C PHE A 1 0.567 -1.251 -2.548 1.00 0.00 C ATOM 4 O PHE A 1 -0.449 -1.929 -2.704 1.00 0.00 O ATOM 5 CB PHE A 1 1.994 -2.382 -0.832 1.00 0.00 C ATOM 6 CG PHE A 1 3.271 -2.525 -1.610 1.00 0.00 C ATOM 7 CD1 PHE A 1 3.244 -2.753 -2.976 1.00 0.00 C ATOM 8 CD2 PHE A 1 4.499 -2.433 -0.974 1.00 0.00 C ATOM 9 CE1 PHE A 1 4.417 -2.884 -3.695 1.00 0.00 C ATOM 10 CE2 PHE A 1 5.675 -2.563 -1.688 1.00 0.00 C ATOM 11 CZ PHE A 1 5.635 -2.790 -3.049 1.00 0.00 C ATOM 0 H1 PHE A 1 0.666 -0.759 0.777 1.00 0.00 H new ATOM 0 H2 PHE A 1 -0.297 0.033 -0.376 1.00 0.00 H new ATOM 0 H3 PHE A 1 -0.476 -1.637 -0.124 1.00 0.00 H new ATOM 0 HA PHE A 1 1.897 -0.266 -1.196 1.00 0.00 H new ATOM 0 HB2 PHE A 1 2.225 -2.383 0.233 1.00 0.00 H new ATOM 0 HB3 PHE A 1 1.363 -3.250 -1.022 1.00 0.00 H new ATOM 0 HD1 PHE A 1 2.295 -2.829 -3.485 1.00 0.00 H new ATOM 0 HD2 PHE A 1 4.537 -2.258 0.091 1.00 0.00 H new ATOM 0 HE1 PHE A 1 4.382 -3.060 -4.760 1.00 0.00 H new ATOM 0 HE2 PHE A 1 6.626 -2.487 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 1 6.553 -2.894 -3.608 1.00 0.00 H new ATOM 21 N ARG A 2 1.166 -0.604 -3.543 1.00 0.00 N ATOM 22 CA ARG A 2 0.650 -0.654 -4.906 1.00 0.00 C ATOM 23 C ARG A 2 1.075 -1.944 -5.601 1.00 0.00 C ATOM 24 O ARG A 2 1.878 -1.922 -6.535 1.00 0.00 O ATOM 25 CB ARG A 2 1.143 0.555 -5.704 1.00 0.00 C ATOM 26 CG ARG A 2 2.656 0.694 -5.726 1.00 0.00 C ATOM 27 CD ARG A 2 3.085 2.145 -5.567 1.00 0.00 C ATOM 28 NE ARG A 2 2.614 2.720 -4.310 1.00 0.00 N ATOM 29 CZ ARG A 2 2.929 3.942 -3.897 1.00 0.00 C ATOM 30 NH1 ARG A 2 3.711 4.715 -4.638 1.00 0.00 N ATOM 31 NH2 ARG A 2 2.461 4.395 -2.741 1.00 0.00 N ATOM 0 H ARG A 2 2.008 -0.040 -3.431 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.439 -0.630 -4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.779 0.477 -6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.709 1.461 -5.280 1.00 0.00 H new ATOM 0 HG2 ARG A 2 3.089 0.096 -4.925 1.00 0.00 H new ATOM 0 HG3 ARG A 2 3.045 0.299 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.172 2.208 -5.610 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.699 2.731 -6.401 1.00 0.00 H new ATOM 0 HE ARG A 2 2.010 2.152 -3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.072 4.371 -5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 2 3.951 5.653 -4.318 1.00 0.00 H new ATOM 0 HH21 ARG A 2 1.858 3.804 -2.168 1.00 0.00 H new ATOM 0 HH22 ARG A 2 2.704 5.334 -2.425 1.00 0.00 H new ATOM 45 N ILE A 3 0.532 -3.065 -5.140 1.00 0.00 N ATOM 46 CA ILE A 3 0.854 -4.364 -5.718 1.00 0.00 C ATOM 47 C ILE A 3 0.329 -4.476 -7.145 1.00 0.00 C ATOM 48 O ILE A 3 1.081 -4.778 -8.072 1.00 0.00 O ATOM 49 CB ILE A 3 0.272 -5.515 -4.877 1.00 0.00 C ATOM 50 CG1 ILE A 3 0.721 -5.389 -3.420 1.00 0.00 C ATOM 51 CG2 ILE A 3 0.694 -6.858 -5.453 1.00 0.00 C ATOM 52 CD1 ILE A 3 -0.396 -5.011 -2.473 1.00 0.00 C ATOM 0 H ILE A 3 -0.133 -3.100 -4.368 1.00 0.00 H new ATOM 0 HA ILE A 3 1.941 -4.445 -5.726 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.816 -5.454 -4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.154 -6.336 -3.099 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.510 -4.640 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.275 -7.662 -4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.329 -6.946 -6.476 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.782 -6.930 -5.449 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.004 -4.940 -1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.814 -4.049 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.176 -5.772 -2.508 1.00 0.00 H new ATOM 64 N MET A 4 -0.966 -4.228 -7.315 1.00 0.00 N ATOM 65 CA MET A 4 -1.591 -4.298 -8.630 1.00 0.00 C ATOM 66 C MET A 4 -0.800 -3.488 -9.652 1.00 0.00 C ATOM 67 O MET A 4 -0.700 -3.870 -10.818 1.00 0.00 O ATOM 68 CB MET A 4 -3.031 -3.788 -8.562 1.00 0.00 C ATOM 69 CG MET A 4 -3.852 -4.430 -7.455 1.00 0.00 C ATOM 70 SD MET A 4 -5.287 -5.323 -8.084 1.00 0.00 S ATOM 71 CE MET A 4 -4.498 -6.736 -8.851 1.00 0.00 C ATOM 0 H MET A 4 -1.602 -3.977 -6.558 1.00 0.00 H new ATOM 0 HA MET A 4 -1.598 -5.341 -8.946 1.00 0.00 H new ATOM 0 HB2 MET A 4 -3.019 -2.708 -8.414 1.00 0.00 H new ATOM 0 HB3 MET A 4 -3.519 -3.973 -9.519 1.00 0.00 H new ATOM 0 HG2 MET A 4 -3.220 -5.116 -6.891 1.00 0.00 H new ATOM 0 HG3 MET A 4 -4.185 -3.659 -6.760 1.00 0.00 H new ATOM 0 HE1 MET A 4 -5.258 -7.385 -9.287 1.00 0.00 H new ATOM 0 HE2 MET A 4 -3.820 -6.394 -9.633 1.00 0.00 H new ATOM 0 HE3 MET A 4 -3.935 -7.290 -8.100 1.00 0.00 H new ATOM 81 N ARG A 5 -0.240 -2.368 -9.207 1.00 0.00 N ATOM 82 CA ARG A 5 0.541 -1.504 -10.084 1.00 0.00 C ATOM 83 C ARG A 5 1.722 -2.261 -10.683 1.00 0.00 C ATOM 84 O ARG A 5 2.064 -2.073 -11.851 1.00 0.00 O ATOM 85 CB ARG A 5 1.044 -0.281 -9.314 1.00 0.00 C ATOM 86 CG ARG A 5 0.004 0.819 -9.171 1.00 0.00 C ATOM 87 CD ARG A 5 0.645 2.197 -9.187 1.00 0.00 C ATOM 88 NE ARG A 5 1.243 2.507 -10.483 1.00 0.00 N ATOM 89 CZ ARG A 5 1.528 3.741 -10.885 1.00 0.00 C ATOM 90 NH1 ARG A 5 1.272 4.775 -10.095 1.00 0.00 N ATOM 91 NH2 ARG A 5 2.071 3.943 -12.078 1.00 0.00 N ATOM 0 H ARG A 5 -0.313 -2.038 -8.245 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.106 -1.173 -10.896 1.00 0.00 H new ATOM 0 HB2 ARG A 5 1.367 -0.595 -8.322 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.920 0.123 -9.822 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.720 0.744 -9.982 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -0.545 0.683 -8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.106 2.949 -8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.410 2.250 -8.413 1.00 0.00 H new ATOM 0 HE ARG A 5 1.453 1.734 -11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 5 0.855 4.624 -9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 5 1.492 5.721 -10.406 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.270 3.150 -12.688 1.00 0.00 H new ATOM 0 HH22 ARG A 5 2.289 4.891 -12.385 1.00 0.00 H new ATOM 105 N ILE A 6 2.340 -3.117 -9.877 1.00 0.00 N ATOM 106 CA ILE A 6 3.482 -3.903 -10.328 1.00 0.00 C ATOM 107 C ILE A 6 3.043 -5.022 -11.266 1.00 0.00 C ATOM 108 O ILE A 6 3.670 -5.265 -12.297 1.00 0.00 O ATOM 109 CB ILE A 6 4.249 -4.515 -9.141 1.00 0.00 C ATOM 110 CG1 ILE A 6 4.617 -3.428 -8.129 1.00 0.00 C ATOM 111 CG2 ILE A 6 5.497 -5.235 -9.630 1.00 0.00 C ATOM 112 CD1 ILE A 6 5.429 -3.940 -6.960 1.00 0.00 C ATOM 0 H ILE A 6 2.069 -3.284 -8.908 1.00 0.00 H new ATOM 0 HA ILE A 6 4.142 -3.221 -10.864 1.00 0.00 H new ATOM 0 HB ILE A 6 3.604 -5.242 -8.647 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.181 -2.646 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.703 -2.969 -7.753 1.00 0.00 H new ATOM 0 HG21 ILE A 6 6.028 -5.662 -8.779 1.00 0.00 H new ATOM 0 HG22 ILE A 6 5.212 -6.032 -10.317 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.147 -4.528 -10.145 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.653 -3.115 -6.284 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.859 -4.701 -6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.360 -4.373 -7.326 1.00 0.00 H new ATOM 124 N LEU A 7 1.960 -5.701 -10.901 1.00 0.00 N ATOM 125 CA LEU A 7 1.434 -6.794 -11.711 1.00 0.00 C ATOM 126 C LEU A 7 1.149 -6.329 -13.136 1.00 0.00 C ATOM 127 O LEU A 7 1.334 -7.080 -14.093 1.00 0.00 O ATOM 128 CB LEU A 7 0.158 -7.354 -11.080 1.00 0.00 C ATOM 129 CG LEU A 7 0.206 -7.598 -9.572 1.00 0.00 C ATOM 130 CD1 LEU A 7 -0.976 -8.447 -9.130 1.00 0.00 C ATOM 131 CD2 LEU A 7 1.518 -8.263 -9.181 1.00 0.00 C ATOM 0 H LEU A 7 1.430 -5.514 -10.050 1.00 0.00 H new ATOM 0 HA LEU A 7 2.188 -7.580 -11.750 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.660 -6.665 -11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -0.084 -8.296 -11.573 1.00 0.00 H new ATOM 0 HG LEU A 7 0.144 -6.635 -9.066 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.925 -8.610 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.905 -7.933 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.946 -9.408 -9.644 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.535 -8.429 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.609 -9.219 -9.697 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.351 -7.618 -9.462 1.00 0.00 H new ATOM 143 N ARG A 8 0.700 -5.085 -13.267 1.00 0.00 N ATOM 144 CA ARG A 8 0.390 -4.519 -14.575 1.00 0.00 C ATOM 145 C ARG A 8 1.569 -4.681 -15.530 1.00 0.00 C ATOM 146 O ARG A 8 1.391 -4.757 -16.746 1.00 0.00 O ATOM 147 CB ARG A 8 0.027 -3.039 -14.441 1.00 0.00 C ATOM 148 CG ARG A 8 -1.122 -2.778 -13.482 1.00 0.00 C ATOM 149 CD ARG A 8 -2.124 -1.795 -14.067 1.00 0.00 C ATOM 150 NE ARG A 8 -2.705 -2.282 -15.315 1.00 0.00 N ATOM 151 CZ ARG A 8 -3.820 -1.794 -15.846 1.00 0.00 C ATOM 152 NH1 ARG A 8 -4.471 -0.809 -15.242 1.00 0.00 N ATOM 153 NH2 ARG A 8 -4.286 -2.290 -16.985 1.00 0.00 N ATOM 0 H ARG A 8 0.543 -4.450 -12.484 1.00 0.00 H new ATOM 0 HA ARG A 8 -0.464 -5.059 -14.984 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.904 -2.488 -14.102 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.235 -2.648 -15.424 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -1.625 -3.717 -13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.732 -2.386 -12.543 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.919 -1.614 -13.344 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -1.632 -0.839 -14.245 1.00 0.00 H new ATOM 0 HE ARG A 8 -2.228 -3.038 -15.806 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.115 -0.424 -14.367 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -5.327 -0.436 -15.653 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.788 -3.047 -17.453 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -5.143 -1.915 -17.392 1.00 0.00 H new ATOM 167 N VAL A 9 2.774 -4.731 -14.972 1.00 0.00 N ATOM 168 CA VAL A 9 3.983 -4.884 -15.773 1.00 0.00 C ATOM 169 C VAL A 9 3.948 -6.178 -16.578 1.00 0.00 C ATOM 170 O VAL A 9 4.425 -6.229 -17.713 1.00 0.00 O ATOM 171 CB VAL A 9 5.246 -4.874 -14.891 1.00 0.00 C ATOM 172 CG1 VAL A 9 6.493 -5.049 -15.744 1.00 0.00 C ATOM 173 CG2 VAL A 9 5.319 -3.588 -14.082 1.00 0.00 C ATOM 0 H VAL A 9 2.939 -4.668 -13.967 1.00 0.00 H new ATOM 0 HA VAL A 9 4.020 -4.035 -16.456 1.00 0.00 H new ATOM 0 HB VAL A 9 5.190 -5.711 -14.195 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.376 -5.039 -15.104 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.440 -5.999 -16.275 1.00 0.00 H new ATOM 0 HG13 VAL A 9 6.558 -4.234 -16.465 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.217 -3.597 -13.464 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.353 -2.734 -14.758 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.440 -3.510 -13.443 1.00 0.00 H new ATOM 183 N LEU A 10 3.381 -7.222 -15.984 1.00 0.00 N ATOM 184 CA LEU A 10 3.283 -8.518 -16.646 1.00 0.00 C ATOM 185 C LEU A 10 1.856 -8.785 -17.113 1.00 0.00 C ATOM 186 O LEU A 10 1.401 -9.929 -17.134 1.00 0.00 O ATOM 187 CB LEU A 10 3.739 -9.631 -15.701 1.00 0.00 C ATOM 188 CG LEU A 10 5.140 -9.477 -15.109 1.00 0.00 C ATOM 189 CD1 LEU A 10 5.169 -9.971 -13.671 1.00 0.00 C ATOM 190 CD2 LEU A 10 6.162 -10.225 -15.952 1.00 0.00 C ATOM 0 H LEU A 10 2.982 -7.197 -15.046 1.00 0.00 H new ATOM 0 HA LEU A 10 3.934 -8.502 -17.520 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.025 -9.698 -14.880 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.696 -10.578 -16.240 1.00 0.00 H new ATOM 0 HG LEU A 10 5.400 -8.419 -15.114 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.174 -9.854 -13.266 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.467 -9.391 -13.073 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.887 -11.023 -13.642 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.153 -10.104 -15.515 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.905 -11.284 -15.980 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.161 -9.824 -16.966 1.00 0.00 H new ATOM 202 N LYS A 11 1.153 -7.722 -17.489 1.00 0.00 N ATOM 203 CA LYS A 11 -0.222 -7.840 -17.960 1.00 0.00 C ATOM 204 C LYS A 11 -1.132 -8.365 -16.854 1.00 0.00 C ATOM 205 O LYS A 11 -1.076 -9.543 -16.497 1.00 0.00 O ATOM 206 CB LYS A 11 -0.289 -8.768 -19.174 1.00 0.00 C ATOM 207 CG LYS A 11 -0.721 -8.069 -20.451 1.00 0.00 C ATOM 208 CD LYS A 11 0.186 -6.895 -20.779 1.00 0.00 C ATOM 209 CE LYS A 11 0.339 -6.712 -22.281 1.00 0.00 C ATOM 210 NZ LYS A 11 1.706 -6.247 -22.646 1.00 0.00 N ATOM 0 H LYS A 11 1.513 -6.768 -17.477 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.567 -6.848 -18.250 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.691 -9.219 -19.330 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.984 -9.581 -18.962 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.710 -8.780 -21.277 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.748 -7.718 -20.345 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.222 -5.985 -20.340 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.166 -7.054 -20.329 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.130 -7.655 -22.785 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.397 -5.991 -22.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.770 -6.134 -23.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.897 -5.334 -22.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.407 -6.947 -22.330 1.00 0.00 H new ATOM 224 N LEU A 12 -1.970 -7.486 -16.316 1.00 0.00 N ATOM 225 CA LEU A 12 -2.894 -7.861 -15.252 1.00 0.00 C ATOM 226 C LEU A 12 -3.694 -9.101 -15.638 1.00 0.00 C ATOM 227 O LEU A 12 -4.910 -9.151 -15.451 1.00 0.00 O ATOM 228 CB LEU A 12 -3.844 -6.703 -14.942 1.00 0.00 C ATOM 229 CG LEU A 12 -3.255 -5.551 -14.128 1.00 0.00 C ATOM 230 CD1 LEU A 12 -4.298 -4.467 -13.905 1.00 0.00 C ATOM 231 CD2 LEU A 12 -2.717 -6.058 -12.798 1.00 0.00 C ATOM 0 H LEU A 12 -2.029 -6.508 -16.599 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.309 -8.091 -14.361 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.216 -6.302 -15.885 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.704 -7.100 -14.403 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.427 -5.120 -14.691 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.861 -3.655 -13.324 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.635 -4.083 -14.868 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.147 -4.885 -13.363 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.302 -5.224 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.526 -6.516 -12.229 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.937 -6.798 -12.979 1.00 0.00 H new TER 243 LEU A 12