USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 135 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 ILE N :NH3+ -177:sc= -3.97! (180deg=-4.12!) USER MOD Single : A 2 ASN : amide:sc= -3.92 K(o=-3.9,f=-9.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= -0.326 (180deg=-1.2) USER MOD Single : A 9 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.478) USER MOD Single : A 13 SER OG : rot 82:sc= 1.03 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 5.580 5.052 -4.842 1.00 0.00 N ATOM 2 CA ILE A 1 5.613 4.973 -3.363 1.00 0.00 C ATOM 3 C ILE A 1 6.720 4.006 -2.946 1.00 0.00 C ATOM 4 O ILE A 1 7.450 3.478 -3.790 1.00 0.00 O ATOM 5 CB ILE A 1 4.261 4.470 -2.824 1.00 0.00 C ATOM 6 CG1 ILE A 1 3.272 4.191 -3.965 1.00 0.00 C ATOM 7 CG2 ILE A 1 3.657 5.516 -1.889 1.00 0.00 C ATOM 8 CD1 ILE A 1 2.629 5.498 -4.451 1.00 0.00 C ATOM 0 H1 ILE A 1 4.864 5.746 -5.137 1.00 0.00 H new ATOM 0 H2 ILE A 1 6.513 5.346 -5.195 1.00 0.00 H new ATOM 0 H3 ILE A 1 5.340 4.119 -5.234 1.00 0.00 H new ATOM 0 HA ILE A 1 5.805 5.964 -2.952 1.00 0.00 H new ATOM 0 HB ILE A 1 4.442 3.540 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 1 3.789 3.704 -4.792 1.00 0.00 H new ATOM 0 HG13 ILE A 1 2.498 3.503 -3.624 1.00 0.00 H new ATOM 0 HG21 ILE A 1 2.701 5.156 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 1 4.335 5.692 -1.054 1.00 0.00 H new ATOM 0 HG23 ILE A 1 3.504 6.447 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 1 1.931 5.281 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 1 2.094 5.969 -3.626 1.00 0.00 H new ATOM 0 HD13 ILE A 1 3.405 6.173 -4.812 1.00 0.00 H new ATOM 22 N ASN A 2 6.830 3.773 -1.644 1.00 0.00 N ATOM 23 CA ASN A 2 7.835 2.861 -1.113 1.00 0.00 C ATOM 24 C ASN A 2 7.373 2.335 0.241 1.00 0.00 C ATOM 25 O ASN A 2 7.178 3.108 1.180 1.00 0.00 O ATOM 26 CB ASN A 2 9.182 3.580 -0.964 1.00 0.00 C ATOM 27 CG ASN A 2 10.228 2.637 -0.380 1.00 0.00 C ATOM 28 OD1 ASN A 2 10.139 2.257 0.787 1.00 0.00 O ATOM 29 ND2 ASN A 2 11.214 2.231 -1.127 1.00 0.00 N ATOM 0 H ASN A 2 6.235 4.203 -0.936 1.00 0.00 H new ATOM 0 HA ASN A 2 7.963 2.028 -1.804 1.00 0.00 H new ATOM 0 HB2 ASN A 2 9.515 3.946 -1.935 1.00 0.00 H new ATOM 0 HB3 ASN A 2 9.067 4.450 -0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 2 11.915 1.596 -0.745 1.00 0.00 H new ATOM 0 HD22 ASN A 2 11.285 2.548 -2.094 1.00 0.00 H new ATOM 36 N TRP A 3 7.174 1.025 0.333 1.00 0.00 N ATOM 37 CA TRP A 3 6.716 0.419 1.578 1.00 0.00 C ATOM 38 C TRP A 3 7.890 -0.032 2.435 1.00 0.00 C ATOM 39 O TRP A 3 9.022 -0.115 1.959 1.00 0.00 O ATOM 40 CB TRP A 3 5.830 -0.792 1.274 1.00 0.00 C ATOM 41 CG TRP A 3 4.389 -0.394 1.296 1.00 0.00 C ATOM 42 CD1 TRP A 3 3.501 -0.643 0.304 1.00 0.00 C ATOM 43 CD2 TRP A 3 3.644 0.295 2.344 1.00 0.00 C ATOM 44 NE1 TRP A 3 2.267 -0.141 0.674 1.00 0.00 N ATOM 45 CE2 TRP A 3 2.304 0.442 1.920 1.00 0.00 C ATOM 46 CE3 TRP A 3 4.000 0.806 3.605 1.00 0.00 C ATOM 47 CZ2 TRP A 3 1.351 1.069 2.720 1.00 0.00 C ATOM 48 CZ3 TRP A 3 3.043 1.437 4.415 1.00 0.00 C ATOM 49 CH2 TRP A 3 1.720 1.567 3.973 1.00 0.00 C ATOM 0 H TRP A 3 7.321 0.367 -0.432 1.00 0.00 H new ATOM 0 HA TRP A 3 6.149 1.171 2.126 1.00 0.00 H new ATOM 0 HB2 TRP A 3 6.086 -1.204 0.298 1.00 0.00 H new ATOM 0 HB3 TRP A 3 6.010 -1.577 2.009 1.00 0.00 H new ATOM 0 HD1 TRP A 3 3.721 -1.150 -0.624 1.00 0.00 H new ATOM 0 HE1 TRP A 3 1.430 -0.196 0.093 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.018 0.712 3.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 0.333 1.170 2.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.328 1.824 5.382 1.00 0.00 H new ATOM 0 HH2 TRP A 3 0.986 2.051 4.600 1.00 0.00 H new ATOM 60 N LEU A 4 7.602 -0.334 3.697 1.00 0.00 N ATOM 61 CA LEU A 4 8.624 -0.790 4.638 1.00 0.00 C ATOM 62 C LEU A 4 9.578 -1.772 3.973 1.00 0.00 C ATOM 63 O LEU A 4 10.787 -1.724 4.187 1.00 0.00 O ATOM 64 CB LEU A 4 7.967 -1.486 5.838 1.00 0.00 C ATOM 65 CG LEU A 4 6.736 -0.698 6.307 1.00 0.00 C ATOM 66 CD1 LEU A 4 5.466 -1.339 5.733 1.00 0.00 C ATOM 67 CD2 LEU A 4 6.662 -0.715 7.838 1.00 0.00 C ATOM 0 H LEU A 4 6.665 -0.271 4.095 1.00 0.00 H new ATOM 0 HA LEU A 4 9.181 0.086 4.971 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.675 -2.499 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.684 -1.571 6.654 1.00 0.00 H new ATOM 0 HG LEU A 4 6.817 0.332 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.593 -0.779 6.067 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.512 -1.325 4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.390 -2.370 6.080 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.787 -0.154 8.166 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.585 -1.745 8.187 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.561 -0.258 8.251 1.00 0.00 H new ATOM 79 N LYS A 5 9.020 -2.669 3.174 1.00 0.00 N ATOM 80 CA LYS A 5 9.825 -3.670 2.492 1.00 0.00 C ATOM 81 C LYS A 5 10.628 -3.030 1.369 1.00 0.00 C ATOM 82 O LYS A 5 11.826 -3.266 1.245 1.00 0.00 O ATOM 83 CB LYS A 5 8.924 -4.778 1.931 1.00 0.00 C ATOM 84 CG LYS A 5 8.484 -5.716 3.068 1.00 0.00 C ATOM 85 CD LYS A 5 7.345 -5.069 3.871 1.00 0.00 C ATOM 86 CE LYS A 5 7.601 -5.231 5.374 1.00 0.00 C ATOM 87 NZ LYS A 5 7.189 -6.593 5.808 1.00 0.00 N1+ ATOM 0 H LYS A 5 8.020 -2.724 2.983 1.00 0.00 H new ATOM 0 HA LYS A 5 10.519 -4.108 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.050 -4.340 1.450 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.459 -5.343 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.154 -6.670 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.329 -5.927 3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.268 -4.011 3.619 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.394 -5.530 3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.657 -5.073 5.592 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.044 -4.477 5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.364 -6.700 6.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.176 -6.728 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 7.739 -7.305 5.286 1.00 0.00 H new ATOM 101 N LEU A 6 9.969 -2.204 0.566 1.00 0.00 N ATOM 102 CA LEU A 6 10.646 -1.527 -0.530 1.00 0.00 C ATOM 103 C LEU A 6 11.789 -0.681 0.015 1.00 0.00 C ATOM 104 O LEU A 6 12.853 -0.580 -0.594 1.00 0.00 O ATOM 105 CB LEU A 6 9.656 -0.630 -1.270 1.00 0.00 C ATOM 106 CG LEU A 6 8.942 -1.434 -2.368 1.00 0.00 C ATOM 107 CD1 LEU A 6 7.423 -1.292 -2.223 1.00 0.00 C ATOM 108 CD2 LEU A 6 9.367 -0.913 -3.745 1.00 0.00 C ATOM 0 H LEU A 6 8.976 -1.989 0.652 1.00 0.00 H new ATOM 0 HA LEU A 6 11.045 -2.272 -1.219 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.925 -0.225 -0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.180 0.219 -1.710 1.00 0.00 H new ATOM 0 HG LEU A 6 9.216 -2.484 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.928 -1.866 -3.006 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.114 -1.667 -1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.146 -0.242 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.860 -1.484 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.099 0.140 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.445 -1.023 -3.859 1.00 0.00 H new ATOM 120 N GLY A 7 11.554 -0.071 1.169 1.00 0.00 N ATOM 121 CA GLY A 7 12.555 0.773 1.804 1.00 0.00 C ATOM 122 C GLY A 7 13.833 -0.003 2.108 1.00 0.00 C ATOM 123 O GLY A 7 14.936 0.529 1.970 1.00 0.00 O ATOM 0 H GLY A 7 10.677 -0.146 1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.787 1.616 1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.151 1.186 2.728 1.00 0.00 H new ATOM 127 N LYS A 8 13.693 -1.260 2.525 1.00 0.00 N ATOM 128 CA LYS A 8 14.863 -2.072 2.855 1.00 0.00 C ATOM 129 C LYS A 8 15.829 -2.120 1.684 1.00 0.00 C ATOM 130 O LYS A 8 17.046 -2.044 1.861 1.00 0.00 O ATOM 131 CB LYS A 8 14.436 -3.497 3.223 1.00 0.00 C ATOM 132 CG LYS A 8 14.452 -3.659 4.748 1.00 0.00 C ATOM 133 CD LYS A 8 13.388 -2.757 5.372 1.00 0.00 C ATOM 134 CE LYS A 8 13.482 -2.826 6.899 1.00 0.00 C ATOM 135 NZ LYS A 8 14.907 -2.766 7.322 1.00 0.00 N1+ ATOM 0 H LYS A 8 12.797 -1.733 2.641 1.00 0.00 H new ATOM 0 HA LYS A 8 15.363 -1.614 3.709 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.438 -3.700 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.110 -4.220 2.763 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.263 -4.699 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.436 -3.402 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 8 13.526 -1.729 5.036 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.396 -3.069 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 8 12.927 -2.000 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.025 -3.748 7.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.961 -2.492 8.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.346 -3.700 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.412 -2.064 6.744 1.00 0.00 H new ATOM 149 N LYS A 9 15.279 -2.226 0.488 1.00 0.00 N ATOM 150 CA LYS A 9 16.103 -2.268 -0.710 1.00 0.00 C ATOM 151 C LYS A 9 16.853 -0.958 -0.850 1.00 0.00 C ATOM 152 O LYS A 9 18.004 -0.923 -1.294 1.00 0.00 O ATOM 153 CB LYS A 9 15.232 -2.503 -1.947 1.00 0.00 C ATOM 154 CG LYS A 9 14.585 -3.894 -1.849 1.00 0.00 C ATOM 155 CD LYS A 9 13.165 -3.783 -1.278 1.00 0.00 C ATOM 156 CE LYS A 9 12.827 -5.058 -0.501 1.00 0.00 C ATOM 157 NZ LYS A 9 13.121 -6.250 -1.343 1.00 0.00 N1+ ATOM 0 H LYS A 9 14.275 -2.284 0.319 1.00 0.00 H new ATOM 0 HA LYS A 9 16.815 -3.089 -0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.462 -1.734 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.836 -2.432 -2.851 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.552 -4.357 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.190 -4.540 -1.213 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.092 -2.915 -0.623 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.447 -3.635 -2.085 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.408 -5.099 0.420 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.775 -5.053 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.609 -7.074 -0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.816 -6.068 -2.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.143 -6.441 -1.329 1.00 0.00 H new ATOM 171 N ILE A 10 16.192 0.122 -0.458 1.00 0.00 N ATOM 172 CA ILE A 10 16.802 1.434 -0.539 1.00 0.00 C ATOM 173 C ILE A 10 17.789 1.608 0.598 1.00 0.00 C ATOM 174 O ILE A 10 18.871 2.165 0.415 1.00 0.00 O ATOM 175 CB ILE A 10 15.733 2.526 -0.448 1.00 0.00 C ATOM 176 CG1 ILE A 10 14.461 2.114 -1.213 1.00 0.00 C ATOM 177 CG2 ILE A 10 16.284 3.819 -1.046 1.00 0.00 C ATOM 178 CD1 ILE A 10 14.810 1.234 -2.421 1.00 0.00 C ATOM 0 H ILE A 10 15.243 0.113 -0.085 1.00 0.00 H new ATOM 0 HA ILE A 10 17.319 1.519 -1.495 1.00 0.00 H new ATOM 0 HB ILE A 10 15.475 2.675 0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.790 1.573 -0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.929 3.004 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.527 4.600 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 10 17.170 4.128 -0.491 1.00 0.00 H new ATOM 0 HG23 ILE A 10 16.549 3.653 -2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 10 13.896 0.956 -2.945 1.00 0.00 H new ATOM 0 HD12 ILE A 10 15.462 1.787 -3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.321 0.334 -2.080 1.00 0.00 H new ATOM 190 N ILE A 11 17.426 1.104 1.768 1.00 0.00 N ATOM 191 CA ILE A 11 18.308 1.199 2.916 1.00 0.00 C ATOM 192 C ILE A 11 19.516 0.312 2.669 1.00 0.00 C ATOM 193 O ILE A 11 20.612 0.566 3.171 1.00 0.00 O ATOM 194 CB ILE A 11 17.574 0.765 4.193 1.00 0.00 C ATOM 195 CG1 ILE A 11 16.401 1.718 4.469 1.00 0.00 C ATOM 196 CG2 ILE A 11 18.538 0.785 5.385 1.00 0.00 C ATOM 197 CD1 ILE A 11 16.927 3.080 4.932 1.00 0.00 C ATOM 0 H ILE A 11 16.539 0.632 1.944 1.00 0.00 H new ATOM 0 HA ILE A 11 18.630 2.232 3.051 1.00 0.00 H new ATOM 0 HB ILE A 11 17.195 -0.247 4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 11 15.801 1.839 3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 11 15.749 1.293 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 11 18.009 0.476 6.286 1.00 0.00 H new ATOM 0 HG22 ILE A 11 19.364 0.100 5.196 1.00 0.00 H new ATOM 0 HG23 ILE A 11 18.927 1.794 5.521 1.00 0.00 H new ATOM 0 HD11 ILE A 11 16.087 3.748 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 11 17.508 2.954 5.846 1.00 0.00 H new ATOM 0 HD13 ILE A 11 17.561 3.509 4.155 1.00 0.00 H new ATOM 209 N ALA A 12 19.303 -0.724 1.868 1.00 0.00 N ATOM 210 CA ALA A 12 20.366 -1.649 1.528 1.00 0.00 C ATOM 211 C ALA A 12 21.216 -1.052 0.420 1.00 0.00 C ATOM 212 O ALA A 12 22.426 -1.292 0.348 1.00 0.00 O ATOM 213 CB ALA A 12 19.771 -2.973 1.050 1.00 0.00 C ATOM 0 H ALA A 12 18.401 -0.941 1.443 1.00 0.00 H new ATOM 0 HA ALA A 12 20.981 -1.829 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 12 20.576 -3.663 0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 12 19.160 -3.404 1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 12 19.153 -2.797 0.170 1.00 0.00 H new ATOM 219 N SER A 13 20.575 -0.265 -0.439 1.00 0.00 N ATOM 220 CA SER A 13 21.281 0.379 -1.539 1.00 0.00 C ATOM 221 C SER A 13 22.276 1.400 -0.994 1.00 0.00 C ATOM 222 O SER A 13 22.113 2.611 -1.179 1.00 0.00 O ATOM 223 CB SER A 13 20.286 1.077 -2.472 1.00 0.00 C ATOM 224 OG SER A 13 19.349 0.126 -2.975 1.00 0.00 O ATOM 0 H SER A 13 19.577 -0.060 -0.395 1.00 0.00 H new ATOM 0 HA SER A 13 21.820 -0.384 -2.101 1.00 0.00 H new ATOM 0 HB2 SER A 13 19.763 1.868 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 13 20.817 1.550 -3.298 1.00 0.00 H new ATOM 0 HG SER A 13 18.643 -0.020 -2.312 1.00 0.00 H new ATOM 230 N LEU A 14 23.304 0.906 -0.312 1.00 0.00 N ATOM 231 CA LEU A 14 24.322 1.777 0.266 1.00 0.00 C ATOM 232 C LEU A 14 23.669 2.836 1.152 1.00 0.00 C ATOM 233 O LEU A 14 24.095 3.994 1.164 1.00 0.00 O ATOM 234 CB LEU A 14 25.134 2.451 -0.850 1.00 0.00 C ATOM 235 CG LEU A 14 26.431 1.667 -1.091 1.00 0.00 C ATOM 236 CD1 LEU A 14 26.971 1.977 -2.488 1.00 0.00 C ATOM 237 CD2 LEU A 14 27.479 2.067 -0.046 1.00 0.00 C ATOM 0 H LEU A 14 23.454 -0.089 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 14 24.994 1.174 0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 14 24.546 2.491 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 14 25.365 3.480 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 14 26.221 0.600 -1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 14 27.892 1.418 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 14 26.232 1.690 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 14 27.175 3.045 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 14 28.398 1.508 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 14 27.683 3.135 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 14 27.102 1.843 0.952 1.00 0.00 H new TER 248 LEU A 14