USER MOD reduce.3.24.130724 H: found=0, std=0, add=124, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 128 hydrogens (34 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 NoAdj-H: A 3 CGUHE22 : A 3 CGUOE22 : A 3 CGU CD2 :(short bond) USER MOD NoAdj-H: A 3 CGUHE12 : A 3 CGUOE12 : A 3 CGU CD1 :(short bond) USER MOD NoAdj-H: A 3 CGU HN2 : A 3 CGU N : A 2 GLU C :(H bumps) USER MOD NoAdj-H: A 3 CGU H : A 3 CGU N : A 2 GLU C :(H bumps) USER MOD NoAdj-H: A 4 CGUHE22 : A 4 CGUOE22 : A 4 CGU CD2 :(short bond) USER MOD NoAdj-H: A 4 CGUHE12 : A 4 CGUOE12 : A 4 CGU CD1 :(short bond) USER MOD NoAdj-H: A 4 CGU H : A 4 CGU N : A 3 CGU C :(H bumps) USER MOD NoAdj-H: A 7 CGUHE22 : A 7 CGUOE22 : A 7 CGU CD2 :(short bond) USER MOD NoAdj-H: A 7 CGUHE12 : A 7 CGUOE12 : A 7 CGU CD1 :(short bond) USER MOD NoAdj-H: A 7 CGU HN2 : A 7 CGU N : A 6 ALA C :(H bumps) USER MOD NoAdj-H: A 7 CGU H : A 7 CGU N : A 6 ALA C :(H bumps) USER MOD NoAdj-H: A 10 HYP H : A 10 HYP N : A 9 ALA C :(H bumps) USER MOD NoAdj-H: A 11 CGUHE22 : A 11 CGUOE22 : A 11 CGU CD2 :(short bond) USER MOD NoAdj-H: A 11 CGUHE12 : A 11 CGUOE12 : A 11 CGU CD1 :(short bond) USER MOD NoAdj-H: A 11 CGU H : A 11 CGU N : A 10 HYP C :(H bumps) USER MOD NoAdj-H: A 15 CGUHE22 : A 15 CGUOE22 : A 15 CGU CD2 :(short bond) USER MOD NoAdj-H: A 15 CGUHE12 : A 15 CGUOE12 : A 15 CGU CD1 :(short bond) USER MOD NoAdj-H: A 15 CGU H : A 15 CGU N : A 14 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 1.21 (180deg=-0.393) USER MOD Single : A 8 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.541) USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.098) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.825 4.524 2.527 1.00 0.00 N ATOM 2 CA GLY A 1 2.348 4.565 1.132 1.00 0.00 C ATOM 3 C GLY A 1 3.752 3.956 1.093 1.00 0.00 C ATOM 4 O GLY A 1 4.712 4.608 0.732 1.00 0.00 O ATOM 0 H1 GLY A 1 1.217 5.351 2.694 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.272 3.654 2.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.621 4.538 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.683 4.014 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.377 5.594 0.773 1.00 0.00 H new ATOM 10 N GLU A 2 3.880 2.711 1.462 1.00 0.00 N ATOM 11 CA GLU A 2 5.223 2.063 1.444 1.00 0.00 C ATOM 12 C GLU A 2 5.406 1.300 0.130 1.00 0.00 C ATOM 13 O GLU A 2 6.252 0.436 0.014 1.00 0.00 O ATOM 14 CB GLU A 2 5.337 1.089 2.618 1.00 0.00 C ATOM 15 CG GLU A 2 5.282 1.867 3.934 1.00 0.00 C ATOM 16 CD GLU A 2 3.887 2.470 4.114 1.00 0.00 C ATOM 17 OE1 GLU A 2 2.936 1.707 4.163 1.00 0.00 O ATOM 18 OE2 GLU A 2 3.793 3.684 4.201 1.00 0.00 O ATOM 0 H GLU A 2 3.114 2.115 1.775 1.00 0.00 H new ATOM 0 HA GLU A 2 5.994 2.828 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.527 0.361 2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 2 6.271 0.531 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 2 5.514 1.206 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.034 2.656 3.933 1.00 0.00 H new HETATM 25 N CGU A 3 4.620 1.616 -0.862 1.00 0.00 N HETATM 26 CA CGU A 3 4.749 0.915 -2.168 1.00 0.00 C HETATM 27 C CGU A 3 5.994 1.425 -2.886 1.00 0.00 C HETATM 28 O CGU A 3 6.861 0.669 -3.273 1.00 0.00 O HETATM 29 CB CGU A 3 3.521 1.236 -3.017 1.00 0.00 C HETATM 30 CG CGU A 3 3.007 -0.039 -3.685 1.00 0.00 C HETATM 31 CD1 CGU A 3 1.848 0.305 -4.623 1.00 0.00 C HETATM 32 CD2 CGU A 3 2.502 -1.014 -2.619 1.00 0.00 C HETATM 33 OE11 CGU A 3 0.809 -0.322 -4.504 1.00 0.00 O HETATM 34 OE12 CGU A 3 2.020 1.190 -5.445 1.00 0.00 O HETATM 35 OE21 CGU A 3 2.157 -2.127 -2.979 1.00 0.00 O HETATM 36 OE22 CGU A 3 2.468 -0.631 -1.462 1.00 0.00 O HETATM 0 HG CGU A 3 3.820 -0.496 -4.249 1.00 0.00 H new HETATM 0 HB3 CGU A 3 2.740 1.671 -2.394 1.00 0.00 H new HETATM 0 HB2 CGU A 3 3.775 1.978 -3.774 1.00 0.00 H new HETATM 0 HA CGU A 3 4.828 -0.161 -2.010 1.00 0.00 H new HETATM 42 N CGU A 4 6.079 2.711 -3.063 1.00 0.00 N HETATM 43 CA CGU A 4 7.263 3.294 -3.758 1.00 0.00 C HETATM 44 C CGU A 4 8.549 2.664 -3.212 1.00 0.00 C HETATM 45 O CGU A 4 9.443 2.315 -3.957 1.00 0.00 O HETATM 46 CB CGU A 4 7.302 4.809 -3.533 1.00 0.00 C HETATM 47 CG CGU A 4 6.817 5.522 -4.795 1.00 0.00 C HETATM 48 CD1 CGU A 4 7.785 5.246 -5.947 1.00 0.00 C HETATM 49 CD2 CGU A 4 6.766 7.031 -4.546 1.00 0.00 C HETATM 50 OE11 CGU A 4 7.312 4.986 -7.042 1.00 0.00 O HETATM 51 OE12 CGU A 4 8.982 5.301 -5.717 1.00 0.00 O HETATM 52 OE21 CGU A 4 7.796 7.670 -4.681 1.00 0.00 O HETATM 53 OE22 CGU A 4 5.696 7.522 -4.224 1.00 0.00 O HETATM 0 HN2 CGU A 4 5.139 3.022 -3.308 1.00 0.00 H new HETATM 0 HG CGU A 4 5.823 5.154 -5.050 1.00 0.00 H new HETATM 0 HB3 CGU A 4 6.672 5.078 -2.685 1.00 0.00 H new HETATM 0 HB2 CGU A 4 8.316 5.126 -3.290 1.00 0.00 H new HETATM 0 HA CGU A 4 7.185 3.088 -4.826 1.00 0.00 H new ATOM 59 N LEU A 5 8.653 2.519 -1.919 1.00 0.00 N ATOM 60 CA LEU A 5 9.883 1.917 -1.330 1.00 0.00 C ATOM 61 C LEU A 5 9.883 0.403 -1.564 1.00 0.00 C ATOM 62 O LEU A 5 10.923 -0.212 -1.695 1.00 0.00 O ATOM 63 CB LEU A 5 9.915 2.198 0.174 1.00 0.00 C ATOM 64 CG LEU A 5 9.544 3.662 0.426 1.00 0.00 C ATOM 65 CD1 LEU A 5 9.665 3.973 1.919 1.00 0.00 C ATOM 66 CD2 LEU A 5 10.493 4.568 -0.361 1.00 0.00 C ATOM 0 H LEU A 5 7.938 2.792 -1.244 1.00 0.00 H new ATOM 0 HA LEU A 5 10.761 2.355 -1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.218 1.540 0.693 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.908 1.989 0.573 1.00 0.00 H new ATOM 0 HG LEU A 5 8.518 3.837 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.401 5.015 2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.991 3.327 2.481 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.690 3.798 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.231 5.611 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.518 4.391 -0.036 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.407 4.348 -1.425 1.00 0.00 H new ATOM 78 N ALA A 6 8.729 -0.203 -1.611 1.00 0.00 N ATOM 79 CA ALA A 6 8.670 -1.677 -1.830 1.00 0.00 C ATOM 80 C ALA A 6 8.880 -1.989 -3.313 1.00 0.00 C ATOM 81 O ALA A 6 9.626 -2.879 -3.669 1.00 0.00 O ATOM 82 CB ALA A 6 7.306 -2.206 -1.384 1.00 0.00 C ATOM 0 H ALA A 6 7.825 0.257 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 6 9.455 -2.159 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.263 -3.283 -1.544 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.161 -1.991 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.520 -1.722 -1.964 1.00 0.00 H new HETATM 88 N CGU A 7 8.229 -1.266 -4.183 1.00 0.00 N HETATM 89 CA CGU A 7 8.394 -1.527 -5.639 1.00 0.00 C HETATM 90 C CGU A 7 9.844 -1.255 -6.047 1.00 0.00 C HETATM 91 O CGU A 7 10.364 -1.858 -6.965 1.00 0.00 O HETATM 92 CB CGU A 7 7.458 -0.613 -6.433 1.00 0.00 C HETATM 93 CG CGU A 7 6.010 -1.062 -6.228 1.00 0.00 C HETATM 94 CD1 CGU A 7 5.070 -0.138 -7.006 1.00 0.00 C HETATM 95 CD2 CGU A 7 5.837 -2.491 -6.748 1.00 0.00 C HETATM 96 OE11 CGU A 7 3.890 -0.444 -7.070 1.00 0.00 O HETATM 97 OE12 CGU A 7 5.545 0.859 -7.524 1.00 0.00 O HETATM 98 OE21 CGU A 7 5.409 -3.333 -5.977 1.00 0.00 O HETATM 99 OE22 CGU A 7 6.138 -2.718 -7.908 1.00 0.00 O HETATM 0 HG CGU A 7 5.773 -1.022 -5.165 1.00 0.00 H new HETATM 0 HB3 CGU A 7 7.579 0.420 -6.107 1.00 0.00 H new HETATM 0 HB2 CGU A 7 7.713 -0.645 -7.492 1.00 0.00 H new HETATM 0 HA CGU A 7 8.148 -2.568 -5.850 1.00 0.00 H new ATOM 105 N LYS A 8 10.502 -0.353 -5.370 1.00 0.00 N ATOM 106 CA LYS A 8 11.918 -0.046 -5.719 1.00 0.00 C ATOM 107 C LYS A 8 12.852 -0.642 -4.663 1.00 0.00 C ATOM 108 O LYS A 8 13.761 -1.386 -4.974 1.00 0.00 O ATOM 109 CB LYS A 8 12.117 1.469 -5.773 1.00 0.00 C ATOM 110 CG LYS A 8 11.599 2.004 -7.108 1.00 0.00 C ATOM 111 CD LYS A 8 10.074 1.901 -7.144 1.00 0.00 C ATOM 112 CE LYS A 8 9.521 2.864 -8.197 1.00 0.00 C ATOM 113 NZ LYS A 8 10.300 2.722 -9.459 1.00 0.00 N ATOM 0 H LYS A 8 10.120 0.184 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 8 12.148 -0.479 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.588 1.946 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.173 1.712 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.907 3.041 -7.240 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.032 1.436 -7.932 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.773 0.879 -7.377 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.660 2.140 -6.164 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.468 2.652 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.581 3.890 -7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 9.752 3.114 -10.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.199 3.237 -9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 10.494 1.716 -9.636 1.00 0.00 H new ATOM 127 N ALA A 9 12.637 -0.319 -3.417 1.00 0.00 N ATOM 128 CA ALA A 9 13.518 -0.866 -2.344 1.00 0.00 C ATOM 129 C ALA A 9 14.959 -0.428 -2.589 1.00 0.00 C ATOM 130 O ALA A 9 15.880 -1.210 -2.470 1.00 0.00 O ATOM 131 CB ALA A 9 13.449 -2.388 -2.342 1.00 0.00 C ATOM 0 H ALA A 9 11.892 0.298 -3.095 1.00 0.00 H new ATOM 0 HA ALA A 9 13.179 -0.487 -1.380 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.095 -2.780 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.422 -2.705 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.781 -2.769 -3.308 1.00 0.00 H new HETATM 137 N HYP A 10 15.144 0.826 -2.893 1.00 0.00 N HETATM 138 CA HYP A 10 16.485 1.417 -3.113 1.00 0.00 C HETATM 139 C HYP A 10 17.430 0.868 -2.039 1.00 0.00 C HETATM 140 O HYP A 10 16.996 0.120 -1.201 1.00 0.00 O HETATM 141 CB HYP A 10 16.250 2.933 -2.918 1.00 0.00 C HETATM 142 CG HYP A 10 14.800 3.096 -2.558 1.00 0.00 C HETATM 143 CD HYP A 10 14.323 1.722 -2.107 1.00 0.00 C HETATM 144 OD1 HYP A 10 14.049 3.494 -3.641 1.00 0.00 O HETATM 0 HD23 HYP A 10 13.261 1.577 -2.305 1.00 0.00 H new HETATM 0 HD22 HYP A 10 14.471 1.573 -1.037 1.00 0.00 H new HETATM 0 HG HYP A 10 14.688 3.858 -1.787 1.00 0.00 H new HETATM 0 HD1 HYP A 10 13.111 3.589 -3.372 1.00 0.00 H new HETATM 0 HB3 HYP A 10 16.892 3.327 -2.130 1.00 0.00 H new HETATM 0 HB2 HYP A 10 16.488 3.483 -3.828 1.00 0.00 H new HETATM 0 HA HYP A 10 16.924 1.194 -4.086 1.00 0.00 H new HETATM 152 N CGU A 11 18.694 1.212 -2.046 1.00 0.00 N HETATM 153 CA CGU A 11 19.628 0.682 -1.005 1.00 0.00 C HETATM 154 C CGU A 11 18.964 0.820 0.363 1.00 0.00 C HETATM 155 O CGU A 11 19.317 1.651 1.178 1.00 0.00 O HETATM 156 CB CGU A 11 20.917 1.484 -0.993 1.00 0.00 C HETATM 157 CG CGU A 11 20.651 2.922 -1.429 1.00 0.00 C HETATM 158 CD1 CGU A 11 21.978 3.672 -1.563 1.00 0.00 C HETATM 159 CD2 CGU A 11 19.791 3.638 -0.388 1.00 0.00 C HETATM 160 OE11 CGU A 11 22.873 3.395 -0.783 1.00 0.00 O HETATM 161 OE12 CGU A 11 22.075 4.510 -2.444 1.00 0.00 O HETATM 162 OE21 CGU A 11 18.654 3.234 -0.206 1.00 0.00 O HETATM 163 OE22 CGU A 11 20.281 4.585 0.204 1.00 0.00 O HETATM 0 HN2 CGU A 11 18.967 1.203 -3.029 1.00 0.00 H new HETATM 0 HG CGU A 11 20.130 2.904 -2.386 1.00 0.00 H new HETATM 0 HB3 CGU A 11 21.350 1.474 0.007 1.00 0.00 H new HETATM 0 HB2 CGU A 11 21.646 1.024 -1.660 1.00 0.00 H new HETATM 0 HA CGU A 11 19.853 -0.361 -1.228 1.00 0.00 H new ATOM 169 N PHE A 12 17.973 0.029 0.573 1.00 0.00 N ATOM 170 CA PHE A 12 17.181 0.068 1.824 1.00 0.00 C ATOM 171 C PHE A 12 17.684 -0.980 2.827 1.00 0.00 C ATOM 172 O PHE A 12 17.756 -0.723 4.013 1.00 0.00 O ATOM 173 CB PHE A 12 15.712 -0.192 1.450 1.00 0.00 C ATOM 174 CG PHE A 12 15.439 -1.675 1.300 1.00 0.00 C ATOM 175 CD1 PHE A 12 16.286 -2.487 0.532 1.00 0.00 C ATOM 176 CD2 PHE A 12 14.322 -2.235 1.928 1.00 0.00 C ATOM 177 CE1 PHE A 12 16.014 -3.855 0.398 1.00 0.00 C ATOM 178 CE2 PHE A 12 14.051 -3.603 1.795 1.00 0.00 C ATOM 179 CZ PHE A 12 14.898 -4.412 1.030 1.00 0.00 C ATOM 0 H PHE A 12 17.661 -0.675 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 12 17.284 1.041 2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.059 0.225 2.217 1.00 0.00 H new ATOM 0 HB3 PHE A 12 15.475 0.320 0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 12 17.148 -2.058 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.666 -1.611 2.517 1.00 0.00 H new ATOM 0 HE1 PHE A 12 16.667 -4.480 -0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 12 13.189 -4.033 2.283 1.00 0.00 H new ATOM 0 HZ PHE A 12 14.690 -5.467 0.928 1.00 0.00 H new ATOM 189 N ALA A 13 18.035 -2.152 2.375 1.00 0.00 N ATOM 190 CA ALA A 13 18.531 -3.196 3.314 1.00 0.00 C ATOM 191 C ALA A 13 19.956 -2.852 3.755 1.00 0.00 C ATOM 192 O ALA A 13 20.325 -3.045 4.897 1.00 0.00 O ATOM 193 CB ALA A 13 18.529 -4.555 2.613 1.00 0.00 C ATOM 0 H ALA A 13 18.000 -2.432 1.395 1.00 0.00 H new ATOM 0 HA ALA A 13 17.880 -3.236 4.188 1.00 0.00 H new ATOM 0 HB1 ALA A 13 18.892 -5.319 3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.515 -4.801 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 13 19.179 -4.515 1.739 1.00 0.00 H new ATOM 199 N ARG A 14 20.764 -2.346 2.861 1.00 0.00 N ATOM 200 CA ARG A 14 22.164 -1.998 3.238 1.00 0.00 C ATOM 201 C ARG A 14 22.156 -0.753 4.127 1.00 0.00 C ATOM 202 O ARG A 14 22.687 -0.760 5.220 1.00 0.00 O ATOM 203 CB ARG A 14 22.990 -1.724 1.979 1.00 0.00 C ATOM 204 CG ARG A 14 22.812 -0.269 1.550 1.00 0.00 C ATOM 205 CD ARG A 14 23.512 -0.045 0.209 1.00 0.00 C ATOM 206 NE ARG A 14 24.943 -0.449 0.322 1.00 0.00 N ATOM 207 CZ ARG A 14 25.747 0.195 1.123 1.00 0.00 C ATOM 208 NH1 ARG A 14 26.019 1.452 0.902 1.00 0.00 N ATOM 209 NH2 ARG A 14 26.278 -0.418 2.145 1.00 0.00 N ATOM 0 H ARG A 14 20.516 -2.159 1.889 1.00 0.00 H new ATOM 0 HA ARG A 14 22.608 -2.832 3.781 1.00 0.00 H new ATOM 0 HB2 ARG A 14 24.043 -1.930 2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.677 -2.391 1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 14 21.752 -0.031 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.228 0.398 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 14 23.020 -0.625 -0.572 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.441 1.004 -0.080 1.00 0.00 H new ATOM 0 HE ARG A 14 25.295 -1.232 -0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 14 25.603 1.931 0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 14 26.647 1.956 1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.065 -1.400 2.318 1.00 0.00 H new ATOM 0 HH22 ARG A 14 26.907 0.085 2.771 1.00 0.00 H new HETATM 223 N CGU A 15 21.561 0.321 3.674 1.00 0.00 N HETATM 224 CA CGU A 15 21.531 1.552 4.508 1.00 0.00 C HETATM 225 C CGU A 15 21.156 1.161 5.928 1.00 0.00 C HETATM 226 O CGU A 15 21.645 1.703 6.899 1.00 0.00 O HETATM 227 CB CGU A 15 20.469 2.511 3.968 1.00 0.00 C HETATM 228 CG CGU A 15 21.138 3.620 3.162 1.00 0.00 C HETATM 229 CD1 CGU A 15 20.070 4.582 2.636 1.00 0.00 C HETATM 230 CD2 CGU A 15 22.102 4.400 4.058 1.00 0.00 C HETATM 231 OE11 CGU A 15 19.047 4.104 2.175 1.00 0.00 O HETATM 232 OE12 CGU A 15 20.293 5.780 2.703 1.00 0.00 O HETATM 233 OE21 CGU A 15 23.286 4.106 4.017 1.00 0.00 O HETATM 234 OE22 CGU A 15 21.640 5.278 4.768 1.00 0.00 O HETATM 0 HN2 CGU A 15 21.795 0.382 2.683 1.00 0.00 H new HETATM 0 HG CGU A 15 21.685 3.176 2.330 1.00 0.00 H new HETATM 0 HB3 CGU A 15 19.761 1.969 3.341 1.00 0.00 H new HETATM 0 HB2 CGU A 15 19.900 2.940 4.793 1.00 0.00 H new HETATM 0 HA CGU A 15 22.507 2.037 4.486 1.00 0.00 H new ATOM 240 N LEU A 16 20.270 0.224 6.035 1.00 0.00 N ATOM 241 CA LEU A 16 19.807 -0.235 7.377 1.00 0.00 C ATOM 242 C LEU A 16 20.863 -1.136 8.027 1.00 0.00 C ATOM 243 O LEU A 16 20.832 -1.378 9.217 1.00 0.00 O ATOM 244 CB LEU A 16 18.501 -1.018 7.219 1.00 0.00 C ATOM 245 CG LEU A 16 17.338 -0.186 7.763 1.00 0.00 C ATOM 246 CD1 LEU A 16 17.483 -0.037 9.279 1.00 0.00 C ATOM 247 CD2 LEU A 16 17.357 1.200 7.114 1.00 0.00 C ATOM 0 H LEU A 16 19.837 -0.254 5.245 1.00 0.00 H new ATOM 0 HA LEU A 16 19.646 0.635 8.013 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.332 -1.256 6.169 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.566 -1.966 7.754 1.00 0.00 H new ATOM 0 HG LEU A 16 16.396 -0.685 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.655 0.556 9.667 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.473 -1.023 9.744 1.00 0.00 H new ATOM 0 HD13 LEU A 16 18.425 0.462 9.507 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.529 1.794 7.501 1.00 0.00 H new ATOM 0 HD22 LEU A 16 18.299 1.697 7.345 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.256 1.097 6.034 1.00 0.00 H new ATOM 259 N ALA A 17 21.792 -1.644 7.263 1.00 0.00 N ATOM 260 CA ALA A 17 22.832 -2.535 7.857 1.00 0.00 C ATOM 261 C ALA A 17 24.113 -1.742 8.128 1.00 0.00 C ATOM 262 O ALA A 17 25.065 -2.254 8.682 1.00 0.00 O ATOM 263 CB ALA A 17 23.136 -3.684 6.893 1.00 0.00 C ATOM 0 H ALA A 17 21.877 -1.483 6.259 1.00 0.00 H new ATOM 0 HA ALA A 17 22.457 -2.938 8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.896 -4.333 7.329 1.00 0.00 H new ATOM 0 HB2 ALA A 17 22.227 -4.258 6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.502 -3.280 5.949 1.00 0.00 H new ATOM 269 N ASN A 18 24.141 -0.494 7.756 1.00 0.00 N ATOM 270 CA ASN A 18 25.345 0.332 8.003 1.00 0.00 C ATOM 271 C ASN A 18 24.867 1.723 8.379 1.00 0.00 C ATOM 272 O ASN A 18 25.642 2.654 8.470 1.00 0.00 O ATOM 273 CB ASN A 18 26.187 0.400 6.731 1.00 0.00 C ATOM 274 CG ASN A 18 27.614 0.830 7.081 1.00 0.00 C ATOM 275 OD1 ASN A 18 28.304 0.148 7.812 1.00 0.00 O ATOM 276 ND2 ASN A 18 28.084 1.943 6.587 1.00 0.00 N ATOM 0 H ASN A 18 23.374 -0.011 7.288 1.00 0.00 H new ATOM 0 HA ASN A 18 25.955 -0.095 8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 18 26.200 -0.573 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.746 1.107 6.028 1.00 0.00 H new ATOM 0 HD21 ASN A 18 29.032 2.242 6.815 1.00 0.00 H new ATOM 0 HD22 ASN A 18 27.503 2.514 5.973 1.00 0.00 H new HETATM 283 N NH2 A 19 23.591 1.898 8.578 1.00 0.00 N TER 286 NH2 A 19