USER MOD reduce.3.24.130724 H: found=0, std=0, add=124, rem=0, adj=2 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -174:sc= 1.03 (180deg=0.705) USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -1.81! C(o=-1.8!,f=-6.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.558 5.309 1.851 1.00 0.00 N ATOM 2 CA GLY A 1 2.183 4.933 0.553 1.00 0.00 C ATOM 3 C GLY A 1 3.520 4.238 0.813 1.00 0.00 C ATOM 4 O GLY A 1 4.537 4.877 0.997 1.00 0.00 O ATOM 0 H1 GLY A 1 0.649 5.782 1.674 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.399 4.453 2.420 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.190 5.955 2.366 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.520 4.272 -0.004 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.336 5.821 -0.060 1.00 0.00 H new ATOM 10 N GLU A 2 3.528 2.934 0.828 1.00 0.00 N ATOM 11 CA GLU A 2 4.801 2.200 1.073 1.00 0.00 C ATOM 12 C GLU A 2 5.124 1.329 -0.145 1.00 0.00 C ATOM 13 O GLU A 2 5.967 0.457 -0.091 1.00 0.00 O ATOM 14 CB GLU A 2 4.655 1.311 2.312 1.00 0.00 C ATOM 15 CG GLU A 2 4.322 2.175 3.533 1.00 0.00 C ATOM 16 CD GLU A 2 5.575 2.923 3.996 1.00 0.00 C ATOM 17 OE1 GLU A 2 6.106 3.694 3.212 1.00 0.00 O ATOM 18 OE2 GLU A 2 5.982 2.713 5.127 1.00 0.00 O ATOM 0 H GLU A 2 2.708 2.345 0.681 1.00 0.00 H new ATOM 0 HA GLU A 2 5.607 2.915 1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.869 0.573 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 2 5.579 0.759 2.486 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.534 2.886 3.283 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.942 1.549 4.340 1.00 0.00 H new HETATM 25 N CGU A 3 4.456 1.562 -1.242 1.00 0.00 N HETATM 26 CA CGU A 3 4.720 0.754 -2.464 1.00 0.00 C HETATM 27 C CGU A 3 6.031 1.211 -3.096 1.00 0.00 C HETATM 28 O CGU A 3 6.933 0.430 -3.328 1.00 0.00 O HETATM 29 CB CGU A 3 3.583 0.983 -3.457 1.00 0.00 C HETATM 30 CG CGU A 3 3.125 -0.354 -4.038 1.00 0.00 C HETATM 31 CD1 CGU A 3 2.010 -0.115 -5.057 1.00 0.00 C HETATM 32 CD2 CGU A 3 2.586 -1.243 -2.916 1.00 0.00 C HETATM 33 OE11 CGU A 3 1.110 0.651 -4.751 1.00 0.00 O HETATM 34 OE12 CGU A 3 2.075 -0.698 -6.126 1.00 0.00 O HETATM 35 OE21 CGU A 3 1.545 -0.914 -2.373 1.00 0.00 O HETATM 36 OE22 CGU A 3 3.225 -2.240 -2.619 1.00 0.00 O HETATM 0 HG CGU A 3 3.971 -0.841 -4.522 1.00 0.00 H new HETATM 0 HB3 CGU A 3 2.749 1.479 -2.961 1.00 0.00 H new HETATM 0 HB2 CGU A 3 3.915 1.643 -4.258 1.00 0.00 H new HETATM 0 HA CGU A 3 4.787 -0.303 -2.204 1.00 0.00 H new HETATM 42 N CGU A 4 6.137 2.477 -3.379 1.00 0.00 N HETATM 43 CA CGU A 4 7.386 3.004 -4.001 1.00 0.00 C HETATM 44 C CGU A 4 8.606 2.425 -3.278 1.00 0.00 C HETATM 45 O CGU A 4 9.574 2.027 -3.897 1.00 0.00 O HETATM 46 CB CGU A 4 7.415 4.533 -3.900 1.00 0.00 C HETATM 47 CG CGU A 4 7.071 5.139 -5.262 1.00 0.00 C HETATM 48 CD1 CGU A 4 8.115 4.711 -6.295 1.00 0.00 C HETATM 49 CD2 CGU A 4 7.078 6.667 -5.165 1.00 0.00 C HETATM 50 OE11 CGU A 4 9.229 5.204 -6.221 1.00 0.00 O HETATM 51 OE12 CGU A 4 7.783 3.900 -7.144 1.00 0.00 O HETATM 52 OE21 CGU A 4 8.141 7.246 -5.318 1.00 0.00 O HETATM 53 OE22 CGU A 4 6.019 7.231 -4.940 1.00 0.00 O HETATM 0 HN2 CGU A 4 5.227 2.763 -3.741 1.00 0.00 H new HETATM 0 HG CGU A 4 6.083 4.790 -5.563 1.00 0.00 H new HETATM 0 HB3 CGU A 4 6.702 4.872 -3.148 1.00 0.00 H new HETATM 0 HB2 CGU A 4 8.401 4.869 -3.579 1.00 0.00 H new HETATM 0 HA CGU A 4 7.410 2.711 -5.051 1.00 0.00 H new ATOM 59 N LEU A 5 8.571 2.380 -1.976 1.00 0.00 N ATOM 60 CA LEU A 5 9.729 1.835 -1.213 1.00 0.00 C ATOM 61 C LEU A 5 9.727 0.306 -1.285 1.00 0.00 C ATOM 62 O LEU A 5 10.764 -0.324 -1.332 1.00 0.00 O ATOM 63 CB LEU A 5 9.620 2.270 0.250 1.00 0.00 C ATOM 64 CG LEU A 5 9.316 3.768 0.321 1.00 0.00 C ATOM 65 CD1 LEU A 5 8.993 4.156 1.765 1.00 0.00 C ATOM 66 CD2 LEU A 5 10.537 4.558 -0.157 1.00 0.00 C ATOM 0 H LEU A 5 7.788 2.698 -1.405 1.00 0.00 H new ATOM 0 HA LEU A 5 10.655 2.215 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 5 8.833 1.705 0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.550 2.053 0.774 1.00 0.00 H new ATOM 0 HG LEU A 5 8.461 3.996 -0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 5 8.777 5.223 1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 5 8.125 3.593 2.107 1.00 0.00 H new ATOM 0 HD13 LEU A 5 9.847 3.929 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.322 5.625 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 5 11.391 4.330 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.769 4.282 -1.186 1.00 0.00 H new ATOM 78 N ALA A 6 8.569 -0.296 -1.281 1.00 0.00 N ATOM 79 CA ALA A 6 8.503 -1.785 -1.334 1.00 0.00 C ATOM 80 C ALA A 6 8.772 -2.272 -2.761 1.00 0.00 C ATOM 81 O ALA A 6 9.222 -3.382 -2.970 1.00 0.00 O ATOM 82 CB ALA A 6 7.113 -2.246 -0.891 1.00 0.00 C ATOM 0 H ALA A 6 7.667 0.178 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 6 9.259 -2.201 -0.668 1.00 0.00 H new ATOM 0 HB1 ALA A 6 7.061 -3.334 -0.929 1.00 0.00 H new ATOM 0 HB2 ALA A 6 6.926 -1.909 0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.360 -1.824 -1.557 1.00 0.00 H new HETATM 88 N CGU A 7 8.498 -1.460 -3.744 1.00 0.00 N HETATM 89 CA CGU A 7 8.738 -1.888 -5.151 1.00 0.00 C HETATM 90 C CGU A 7 10.172 -1.543 -5.561 1.00 0.00 C HETATM 91 O CGU A 7 10.805 -2.268 -6.302 1.00 0.00 O HETATM 92 CB CGU A 7 7.755 -1.171 -6.076 1.00 0.00 C HETATM 93 CG CGU A 7 6.332 -1.646 -5.779 1.00 0.00 C HETATM 94 CD1 CGU A 7 5.346 -0.922 -6.699 1.00 0.00 C HETATM 95 CD2 CGU A 7 6.227 -3.151 -6.037 1.00 0.00 C HETATM 96 OE11 CGU A 7 4.201 -1.336 -6.752 1.00 0.00 O HETATM 97 OE12 CGU A 7 5.756 0.036 -7.336 1.00 0.00 O HETATM 98 OE21 CGU A 7 6.290 -3.540 -7.192 1.00 0.00 O HETATM 99 OE22 CGU A 7 6.086 -3.888 -5.076 1.00 0.00 O HETATM 0 HG CGU A 7 6.097 -1.430 -4.737 1.00 0.00 H new HETATM 0 HB3 CGU A 7 7.826 -0.093 -5.934 1.00 0.00 H new HETATM 0 HB2 CGU A 7 8.007 -1.372 -7.117 1.00 0.00 H new HETATM 0 HA CGU A 7 8.593 -2.965 -5.229 1.00 0.00 H new ATOM 105 N LYS A 8 10.689 -0.442 -5.089 1.00 0.00 N ATOM 106 CA LYS A 8 12.080 -0.058 -5.459 1.00 0.00 C ATOM 107 C LYS A 8 13.047 -0.500 -4.359 1.00 0.00 C ATOM 108 O LYS A 8 14.152 -0.926 -4.626 1.00 0.00 O ATOM 109 CB LYS A 8 12.164 1.459 -5.632 1.00 0.00 C ATOM 110 CG LYS A 8 11.657 1.842 -7.023 1.00 0.00 C ATOM 111 CD LYS A 8 10.137 1.683 -7.081 1.00 0.00 C ATOM 112 CE LYS A 8 9.635 2.100 -8.464 1.00 0.00 C ATOM 113 NZ LYS A 8 8.165 1.868 -8.551 1.00 0.00 N ATOM 0 H LYS A 8 10.210 0.207 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 8 12.350 -0.546 -6.395 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.569 1.957 -4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.193 1.794 -5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.933 2.872 -7.250 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.127 1.212 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.861 0.648 -6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.667 2.295 -6.311 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.859 3.152 -8.642 1.00 0.00 H new ATOM 0 HE3 LYS A 8 10.150 1.529 -9.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.841 2.055 -9.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.954 0.881 -8.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.673 2.506 -7.893 1.00 0.00 H new ATOM 127 N ALA A 9 12.641 -0.401 -3.123 1.00 0.00 N ATOM 128 CA ALA A 9 13.541 -0.815 -2.010 1.00 0.00 C ATOM 129 C ALA A 9 14.948 -0.280 -2.264 1.00 0.00 C ATOM 130 O ALA A 9 15.918 -1.009 -2.193 1.00 0.00 O ATOM 131 CB ALA A 9 13.586 -2.338 -1.922 1.00 0.00 C ATOM 0 H ALA A 9 11.727 -0.052 -2.836 1.00 0.00 H new ATOM 0 HA ALA A 9 13.161 -0.410 -1.072 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.245 -2.636 -1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.583 -2.722 -1.736 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.962 -2.746 -2.860 1.00 0.00 H new HETATM 137 N HYP A 10 15.049 0.994 -2.526 1.00 0.00 N HETATM 138 CA HYP A 10 16.345 1.673 -2.750 1.00 0.00 C HETATM 139 C HYP A 10 17.344 1.139 -1.716 1.00 0.00 C HETATM 140 O HYP A 10 16.970 0.342 -0.895 1.00 0.00 O HETATM 141 CB HYP A 10 16.029 3.163 -2.489 1.00 0.00 C HETATM 142 CG HYP A 10 14.581 3.226 -2.092 1.00 0.00 C HETATM 143 CD HYP A 10 14.196 1.812 -1.685 1.00 0.00 C HETATM 144 OD1 HYP A 10 13.781 3.620 -3.140 1.00 0.00 O HETATM 0 HD23 HYP A 10 13.140 1.613 -1.864 1.00 0.00 H new HETATM 0 HD22 HYP A 10 14.379 1.632 -0.626 1.00 0.00 H new HETATM 0 HG HYP A 10 14.444 3.951 -1.290 1.00 0.00 H new HETATM 0 HD1 HYP A 10 12.847 3.648 -2.846 1.00 0.00 H new HETATM 0 HB3 HYP A 10 16.666 3.563 -1.700 1.00 0.00 H new HETATM 0 HB2 HYP A 10 16.214 3.761 -3.381 1.00 0.00 H new HETATM 0 HA HYP A 10 16.772 1.516 -3.741 1.00 0.00 H new HETATM 152 N CGU A 11 18.583 1.551 -1.736 1.00 0.00 N HETATM 153 CA CGU A 11 19.563 1.038 -0.732 1.00 0.00 C HETATM 154 C CGU A 11 18.924 1.100 0.652 1.00 0.00 C HETATM 155 O CGU A 11 19.251 1.921 1.485 1.00 0.00 O HETATM 156 CB CGU A 11 20.809 1.907 -0.721 1.00 0.00 C HETATM 157 CG CGU A 11 20.463 3.336 -1.133 1.00 0.00 C HETATM 158 CD1 CGU A 11 21.746 4.167 -1.214 1.00 0.00 C HETATM 159 CD2 CGU A 11 19.530 3.969 -0.098 1.00 0.00 C HETATM 160 OE11 CGU A 11 22.813 3.579 -1.157 1.00 0.00 O HETATM 161 OE12 CGU A 11 21.637 5.377 -1.333 1.00 0.00 O HETATM 162 OE21 CGU A 11 19.912 4.977 0.475 1.00 0.00 O HETATM 163 OE22 CGU A 11 18.449 3.442 0.099 1.00 0.00 O HETATM 0 HN2 CGU A 11 18.835 1.585 -2.724 1.00 0.00 H new HETATM 0 HG CGU A 11 19.968 3.314 -2.104 1.00 0.00 H new HETATM 0 HB3 CGU A 11 21.253 1.906 0.275 1.00 0.00 H new HETATM 0 HB2 CGU A 11 21.554 1.495 -1.402 1.00 0.00 H new HETATM 0 HA CGU A 11 19.835 0.015 -0.991 1.00 0.00 H new ATOM 169 N PHE A 12 17.987 0.247 0.861 1.00 0.00 N ATOM 170 CA PHE A 12 17.232 0.199 2.133 1.00 0.00 C ATOM 171 C PHE A 12 17.797 -0.902 3.032 1.00 0.00 C ATOM 172 O PHE A 12 18.005 -0.707 4.213 1.00 0.00 O ATOM 173 CB PHE A 12 15.772 -0.110 1.782 1.00 0.00 C ATOM 174 CG PHE A 12 15.583 -1.601 1.657 1.00 0.00 C ATOM 175 CD1 PHE A 12 16.165 -2.294 0.589 1.00 0.00 C ATOM 176 CD2 PHE A 12 14.822 -2.292 2.608 1.00 0.00 C ATOM 177 CE1 PHE A 12 15.987 -3.677 0.473 1.00 0.00 C ATOM 178 CE2 PHE A 12 14.643 -3.675 2.491 1.00 0.00 C ATOM 179 CZ PHE A 12 15.225 -4.368 1.424 1.00 0.00 C ATOM 0 H PHE A 12 17.696 -0.452 0.177 1.00 0.00 H new ATOM 0 HA PHE A 12 17.310 1.146 2.667 1.00 0.00 H new ATOM 0 HB2 PHE A 12 15.111 0.287 2.553 1.00 0.00 H new ATOM 0 HB3 PHE A 12 15.501 0.380 0.847 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.751 -1.761 -0.145 1.00 0.00 H new ATOM 0 HD2 PHE A 12 14.373 -1.757 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 12 16.437 -4.212 -0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 12 14.056 -4.207 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 12 15.087 -5.435 1.334 1.00 0.00 H new ATOM 189 N ALA A 13 18.042 -2.060 2.485 1.00 0.00 N ATOM 190 CA ALA A 13 18.587 -3.175 3.308 1.00 0.00 C ATOM 191 C ALA A 13 20.043 -2.882 3.679 1.00 0.00 C ATOM 192 O ALA A 13 20.545 -3.364 4.676 1.00 0.00 O ATOM 193 CB ALA A 13 18.518 -4.477 2.509 1.00 0.00 C ATOM 0 H ALA A 13 17.888 -2.283 1.502 1.00 0.00 H new ATOM 0 HA ALA A 13 17.996 -3.272 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 13 18.917 -5.294 3.110 1.00 0.00 H new ATOM 0 HB2 ALA A 13 17.481 -4.690 2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 13 19.107 -4.376 1.597 1.00 0.00 H new ATOM 199 N ARG A 14 20.731 -2.102 2.888 1.00 0.00 N ATOM 200 CA ARG A 14 22.153 -1.794 3.210 1.00 0.00 C ATOM 201 C ARG A 14 22.216 -0.590 4.154 1.00 0.00 C ATOM 202 O ARG A 14 22.799 -0.658 5.219 1.00 0.00 O ATOM 203 CB ARG A 14 22.919 -1.479 1.921 1.00 0.00 C ATOM 204 CG ARG A 14 22.730 -0.009 1.554 1.00 0.00 C ATOM 205 CD ARG A 14 23.374 0.261 0.193 1.00 0.00 C ATOM 206 NE ARG A 14 24.821 -0.094 0.252 1.00 0.00 N ATOM 207 CZ ARG A 14 25.582 0.429 1.173 1.00 0.00 C ATOM 208 NH1 ARG A 14 25.362 1.647 1.588 1.00 0.00 N ATOM 209 NH2 ARG A 14 26.565 -0.265 1.679 1.00 0.00 N ATOM 0 H ARG A 14 20.372 -1.668 2.038 1.00 0.00 H new ATOM 0 HA ARG A 14 22.608 -2.658 3.695 1.00 0.00 H new ATOM 0 HB2 ARG A 14 23.979 -1.697 2.054 1.00 0.00 H new ATOM 0 HB3 ARG A 14 22.562 -2.115 1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 14 21.668 0.236 1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 14 23.181 0.628 2.315 1.00 0.00 H new ATOM 0 HD2 ARG A 14 22.876 -0.324 -0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 14 23.256 1.311 -0.076 1.00 0.00 H new ATOM 0 HE ARG A 14 25.215 -0.745 -0.427 1.00 0.00 H new ATOM 0 HH11 ARG A 14 24.595 2.190 1.192 1.00 0.00 H new ATOM 0 HH12 ARG A 14 25.957 2.056 2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 14 26.738 -1.216 1.354 1.00 0.00 H new ATOM 0 HH22 ARG A 14 27.160 0.144 2.399 1.00 0.00 H new HETATM 223 N CGU A 15 21.623 0.516 3.779 1.00 0.00 N HETATM 224 CA CGU A 15 21.661 1.711 4.667 1.00 0.00 C HETATM 225 C CGU A 15 21.307 1.275 6.079 1.00 0.00 C HETATM 226 O CGU A 15 21.849 1.750 7.056 1.00 0.00 O HETATM 227 CB CGU A 15 20.633 2.737 4.195 1.00 0.00 C HETATM 228 CG CGU A 15 21.341 3.849 3.425 1.00 0.00 C HETATM 229 CD1 CGU A 15 20.308 4.843 2.890 1.00 0.00 C HETATM 230 CD2 CGU A 15 22.299 4.592 4.360 1.00 0.00 C HETATM 231 OE11 CGU A 15 20.635 6.015 2.794 1.00 0.00 O HETATM 232 OE12 CGU A 15 19.208 4.416 2.584 1.00 0.00 O HETATM 233 OE21 CGU A 15 22.367 4.222 5.521 1.00 0.00 O HETATM 234 OE22 CGU A 15 22.947 5.518 3.900 1.00 0.00 O HETATM 0 HN2 CGU A 15 21.835 0.612 2.786 1.00 0.00 H new HETATM 0 HG CGU A 15 21.896 3.409 2.597 1.00 0.00 H new HETATM 0 HB3 CGU A 15 19.889 2.257 3.559 1.00 0.00 H new HETATM 0 HB2 CGU A 15 20.100 3.154 5.050 1.00 0.00 H new HETATM 0 HA CGU A 15 22.655 2.157 4.642 1.00 0.00 H new ATOM 240 N LEU A 16 20.387 0.371 6.175 1.00 0.00 N ATOM 241 CA LEU A 16 19.955 -0.126 7.515 1.00 0.00 C ATOM 242 C LEU A 16 21.007 -1.083 8.079 1.00 0.00 C ATOM 243 O LEU A 16 21.164 -1.213 9.276 1.00 0.00 O ATOM 244 CB LEU A 16 18.619 -0.860 7.384 1.00 0.00 C ATOM 245 CG LEU A 16 17.473 0.120 7.638 1.00 0.00 C ATOM 246 CD1 LEU A 16 17.500 1.227 6.584 1.00 0.00 C ATOM 247 CD2 LEU A 16 16.139 -0.628 7.558 1.00 0.00 C ATOM 0 H LEU A 16 19.907 -0.054 5.382 1.00 0.00 H new ATOM 0 HA LEU A 16 19.841 0.722 8.190 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.526 -1.294 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.573 -1.683 8.097 1.00 0.00 H new ATOM 0 HG LEU A 16 17.586 0.562 8.628 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.682 1.924 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.450 1.759 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 16 17.387 0.788 5.593 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.320 0.068 7.739 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.028 -1.069 6.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.118 -1.416 8.311 1.00 0.00 H new ATOM 259 N ALA A 17 21.728 -1.758 7.227 1.00 0.00 N ATOM 260 CA ALA A 17 22.766 -2.709 7.717 1.00 0.00 C ATOM 261 C ALA A 17 24.156 -2.122 7.469 1.00 0.00 C ATOM 262 O ALA A 17 25.162 -2.758 7.712 1.00 0.00 O ATOM 263 CB ALA A 17 22.632 -4.038 6.974 1.00 0.00 C ATOM 0 H ALA A 17 21.644 -1.692 6.213 1.00 0.00 H new ATOM 0 HA ALA A 17 22.629 -2.876 8.785 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.391 -4.733 7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 17 21.642 -4.457 7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 17 22.767 -3.873 5.905 1.00 0.00 H new ATOM 269 N ASN A 18 24.217 -0.913 6.991 1.00 0.00 N ATOM 270 CA ASN A 18 25.526 -0.273 6.729 1.00 0.00 C ATOM 271 C ASN A 18 25.369 1.215 6.998 1.00 0.00 C ATOM 272 O ASN A 18 26.224 2.010 6.660 1.00 0.00 O ATOM 273 CB ASN A 18 25.912 -0.497 5.269 1.00 0.00 C ATOM 274 CG ASN A 18 27.422 -0.310 5.101 1.00 0.00 C ATOM 275 OD1 ASN A 18 27.948 -0.475 4.018 1.00 0.00 O ATOM 276 ND2 ASN A 18 28.145 0.030 6.132 1.00 0.00 N ATOM 0 H ASN A 18 23.405 -0.337 6.769 1.00 0.00 H new ATOM 0 HA ASN A 18 26.303 -0.696 7.366 1.00 0.00 H new ATOM 0 HB2 ASN A 18 25.623 -1.500 4.956 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.375 0.204 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 18 29.152 0.157 6.029 1.00 0.00 H new ATOM 0 HD22 ASN A 18 27.704 0.169 7.041 1.00 0.00 H new HETATM 283 N NH2 A 19 24.277 1.623 7.582 1.00 0.00 N TER 286 NH2 A 19