USER MOD reduce.3.24.130724 H: found=0, std=0, add=124, rem=0, adj=4 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+ 170:sc=-0.00144 (180deg=-0.117) USER MOD Single : A 8 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.339) USER MOD Single : A 10 HYP OD1 : rot 180:sc= 0 USER MOD Single : A 18 ASN :FLIP amide:sc= -0.772 F(o=-2.5!,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.643 0.722 -0.588 1.00 0.00 N ATOM 2 CA GLY A 1 0.259 1.064 -1.725 1.00 0.00 C ATOM 3 C GLY A 1 1.706 1.102 -1.230 1.00 0.00 C ATOM 4 O GLY A 1 2.492 1.931 -1.644 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.633 0.860 -0.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.497 -0.271 -0.316 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.429 1.338 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.154 0.327 -2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.019 2.030 -2.146 1.00 0.00 H new ATOM 10 N GLU A 2 2.063 0.213 -0.346 1.00 0.00 N ATOM 11 CA GLU A 2 3.458 0.200 0.176 1.00 0.00 C ATOM 12 C GLU A 2 4.435 -0.065 -0.971 1.00 0.00 C ATOM 13 O GLU A 2 5.624 -0.214 -0.763 1.00 0.00 O ATOM 14 CB GLU A 2 3.597 -0.900 1.229 1.00 0.00 C ATOM 15 CG GLU A 2 3.277 -2.256 0.596 1.00 0.00 C ATOM 16 CD GLU A 2 3.587 -3.372 1.597 1.00 0.00 C ATOM 17 OE1 GLU A 2 4.736 -3.479 1.994 1.00 0.00 O ATOM 18 OE2 GLU A 2 2.673 -4.098 1.947 1.00 0.00 O ATOM 0 H GLU A 2 1.449 -0.505 0.038 1.00 0.00 H new ATOM 0 HA GLU A 2 3.684 1.167 0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.609 -0.905 1.633 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.922 -0.707 2.063 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.227 -2.295 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.865 -2.393 -0.312 1.00 0.00 H new HETATM 25 N CGU A 3 3.948 -0.124 -2.180 1.00 0.00 N HETATM 26 CA CGU A 3 4.853 -0.377 -3.335 1.00 0.00 C HETATM 27 C CGU A 3 5.618 0.903 -3.657 1.00 0.00 C HETATM 28 O CGU A 3 6.832 0.927 -3.700 1.00 0.00 O HETATM 29 CB CGU A 3 4.009 -0.766 -4.548 1.00 0.00 C HETATM 30 CG CGU A 3 4.670 -1.929 -5.285 1.00 0.00 C HETATM 31 CD1 CGU A 3 3.821 -2.320 -6.495 1.00 0.00 C HETATM 32 CD2 CGU A 3 4.781 -3.136 -4.350 1.00 0.00 C HETATM 33 OE11 CGU A 3 2.812 -1.672 -6.721 1.00 0.00 O HETATM 34 OE12 CGU A 3 4.192 -3.261 -7.176 1.00 0.00 O HETATM 35 OE21 CGU A 3 5.898 -3.508 -4.027 1.00 0.00 O HETATM 36 OE22 CGU A 3 3.750 -3.668 -3.976 1.00 0.00 O HETATM 0 HG CGU A 3 5.663 -1.622 -5.613 1.00 0.00 H new HETATM 0 HB3 CGU A 3 3.006 -1.048 -4.229 1.00 0.00 H new HETATM 0 HB2 CGU A 3 3.902 0.088 -5.217 1.00 0.00 H new HETATM 0 HA CGU A 3 5.552 -1.177 -3.092 1.00 0.00 H new HETATM 42 N CGU A 4 4.903 1.965 -3.885 1.00 0.00 N HETATM 43 CA CGU A 4 5.566 3.262 -4.210 1.00 0.00 C HETATM 44 C CGU A 4 6.734 3.506 -3.249 1.00 0.00 C HETATM 45 O CGU A 4 7.803 3.917 -3.652 1.00 0.00 O HETATM 46 CB CGU A 4 4.557 4.409 -4.081 1.00 0.00 C HETATM 47 CG CGU A 4 4.125 4.863 -5.474 1.00 0.00 C HETATM 48 CD1 CGU A 4 5.333 5.419 -6.231 1.00 0.00 C HETATM 49 CD2 CGU A 4 3.072 5.965 -5.351 1.00 0.00 C HETATM 50 OE11 CGU A 4 5.753 6.518 -5.911 1.00 0.00 O HETATM 51 OE12 CGU A 4 5.817 4.735 -7.118 1.00 0.00 O HETATM 52 OE21 CGU A 4 2.499 6.095 -4.282 1.00 0.00 O HETATM 53 OE22 CGU A 4 2.856 6.663 -6.328 1.00 0.00 O HETATM 0 HN2 CGU A 4 4.102 1.650 -4.433 1.00 0.00 H new HETATM 0 HG CGU A 4 3.710 4.011 -6.013 1.00 0.00 H new HETATM 0 HB3 CGU A 4 3.690 4.082 -3.508 1.00 0.00 H new HETATM 0 HB2 CGU A 4 5.003 5.241 -3.537 1.00 0.00 H new HETATM 0 HA CGU A 4 5.940 3.220 -5.233 1.00 0.00 H new ATOM 59 N LEU A 5 6.538 3.264 -1.982 1.00 0.00 N ATOM 60 CA LEU A 5 7.636 3.493 -0.999 1.00 0.00 C ATOM 61 C LEU A 5 8.634 2.333 -1.058 1.00 0.00 C ATOM 62 O LEU A 5 9.833 2.533 -1.072 1.00 0.00 O ATOM 63 CB LEU A 5 7.044 3.582 0.409 1.00 0.00 C ATOM 64 CG LEU A 5 5.899 4.597 0.420 1.00 0.00 C ATOM 65 CD1 LEU A 5 5.228 4.594 1.795 1.00 0.00 C ATOM 66 CD2 LEU A 5 6.451 5.993 0.126 1.00 0.00 C ATOM 0 H LEU A 5 5.665 2.917 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 5 8.150 4.423 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.680 2.604 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.814 3.880 1.120 1.00 0.00 H new ATOM 0 HG LEU A 5 5.168 4.327 -0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.412 5.317 1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.834 3.600 2.005 1.00 0.00 H new ATOM 0 HD13 LEU A 5 5.959 4.863 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.635 6.716 0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 5 7.182 6.263 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.929 5.996 -0.853 1.00 0.00 H new ATOM 78 N ALA A 6 8.150 1.123 -1.085 1.00 0.00 N ATOM 79 CA ALA A 6 9.071 -0.048 -1.135 1.00 0.00 C ATOM 80 C ALA A 6 9.804 -0.076 -2.477 1.00 0.00 C ATOM 81 O ALA A 6 10.868 -0.651 -2.601 1.00 0.00 O ATOM 82 CB ALA A 6 8.264 -1.336 -0.973 1.00 0.00 C ATOM 0 H ALA A 6 7.156 0.893 -1.075 1.00 0.00 H new ATOM 0 HA ALA A 6 9.800 0.034 -0.328 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.936 -2.193 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.745 -1.322 -0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 6 7.535 -1.412 -1.779 1.00 0.00 H new HETATM 88 N CGU A 7 9.247 0.537 -3.483 1.00 0.00 N HETATM 89 CA CGU A 7 9.916 0.539 -4.814 1.00 0.00 C HETATM 90 C CGU A 7 11.073 1.540 -4.808 1.00 0.00 C HETATM 91 O CGU A 7 12.048 1.380 -5.517 1.00 0.00 O HETATM 92 CB CGU A 7 8.900 0.926 -5.890 1.00 0.00 C HETATM 93 CG CGU A 7 8.072 -0.306 -6.268 1.00 0.00 C HETATM 94 CD1 CGU A 7 6.907 0.108 -7.169 1.00 0.00 C HETATM 95 CD2 CGU A 7 8.952 -1.300 -7.027 1.00 0.00 C HETATM 96 OE11 CGU A 7 6.369 1.181 -6.955 1.00 0.00 O HETATM 97 OE12 CGU A 7 6.571 -0.660 -8.057 1.00 0.00 O HETATM 98 OE21 CGU A 7 9.675 -0.866 -7.911 1.00 0.00 O HETATM 99 OE22 CGU A 7 8.890 -2.477 -6.714 1.00 0.00 O HETATM 0 HG CGU A 7 7.687 -0.767 -5.358 1.00 0.00 H new HETATM 0 HB3 CGU A 7 8.248 1.719 -5.523 1.00 0.00 H new HETATM 0 HB2 CGU A 7 9.414 1.317 -6.768 1.00 0.00 H new HETATM 0 HA CGU A 7 10.308 -0.456 -5.027 1.00 0.00 H new ATOM 105 N LYS A 8 10.982 2.566 -4.008 1.00 0.00 N ATOM 106 CA LYS A 8 12.083 3.569 -3.954 1.00 0.00 C ATOM 107 C LYS A 8 12.905 3.355 -2.679 1.00 0.00 C ATOM 108 O LYS A 8 13.443 4.286 -2.113 1.00 0.00 O ATOM 109 CB LYS A 8 11.492 4.980 -3.947 1.00 0.00 C ATOM 110 CG LYS A 8 11.242 5.437 -5.386 1.00 0.00 C ATOM 111 CD LYS A 8 10.026 4.701 -5.955 1.00 0.00 C ATOM 112 CE LYS A 8 9.574 5.386 -7.247 1.00 0.00 C ATOM 113 NZ LYS A 8 10.712 5.435 -8.209 1.00 0.00 N ATOM 0 H LYS A 8 10.193 2.754 -3.389 1.00 0.00 H new ATOM 0 HA LYS A 8 12.725 3.449 -4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 8 10.559 4.992 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 8 12.174 5.669 -3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 8 11.073 6.514 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 8 12.121 5.237 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.278 3.659 -6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 8 9.214 4.701 -5.228 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.737 4.843 -7.685 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.222 6.395 -7.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 10.350 5.627 -9.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 11.370 6.190 -7.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.210 4.522 -8.204 1.00 0.00 H new ATOM 127 N ALA A 9 13.006 2.135 -2.222 1.00 0.00 N ATOM 128 CA ALA A 9 13.792 1.862 -0.983 1.00 0.00 C ATOM 129 C ALA A 9 14.663 0.625 -1.185 1.00 0.00 C ATOM 130 O ALA A 9 14.713 -0.250 -0.343 1.00 0.00 O ATOM 131 CB ALA A 9 12.841 1.623 0.185 1.00 0.00 C ATOM 0 H ALA A 9 12.578 1.316 -2.653 1.00 0.00 H new ATOM 0 HA ALA A 9 14.427 2.721 -0.768 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.417 1.424 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.222 2.507 0.337 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.203 0.767 -0.035 1.00 0.00 H new HETATM 137 N HYP A 10 15.368 0.579 -2.282 1.00 0.00 N HETATM 138 CA HYP A 10 16.299 -0.529 -2.606 1.00 0.00 C HETATM 139 C HYP A 10 17.066 -0.897 -1.330 1.00 0.00 C HETATM 140 O HYP A 10 16.861 -0.273 -0.322 1.00 0.00 O HETATM 141 CB HYP A 10 17.248 0.091 -3.658 1.00 0.00 C HETATM 142 CG HYP A 10 16.818 1.521 -3.827 1.00 0.00 C HETATM 143 CD HYP A 10 15.976 1.853 -2.604 1.00 0.00 C HETATM 144 OD1 HYP A 10 16.049 1.691 -4.954 1.00 0.00 O HETATM 0 HD23 HYP A 10 15.228 2.615 -2.822 1.00 0.00 H new HETATM 0 HD22 HYP A 10 16.585 2.230 -1.783 1.00 0.00 H new HETATM 0 HG HYP A 10 17.691 2.165 -3.929 1.00 0.00 H new HETATM 0 HD1 HYP A 10 15.786 2.632 -5.032 1.00 0.00 H new HETATM 0 HB3 HYP A 10 18.285 0.034 -3.327 1.00 0.00 H new HETATM 0 HB2 HYP A 10 17.185 -0.448 -4.603 1.00 0.00 H new HETATM 0 HA HYP A 10 15.815 -1.433 -2.975 1.00 0.00 H new HETATM 152 N CGU A 11 17.927 -1.882 -1.351 1.00 0.00 N HETATM 153 CA CGU A 11 18.682 -2.247 -0.113 1.00 0.00 C HETATM 154 C CGU A 11 19.224 -0.967 0.519 1.00 0.00 C HETATM 155 O CGU A 11 20.400 -0.665 0.468 1.00 0.00 O HETATM 156 CB CGU A 11 19.856 -3.144 -0.461 1.00 0.00 C HETATM 157 CG CGU A 11 20.349 -2.847 -1.875 1.00 0.00 C HETATM 158 CD1 CGU A 11 21.520 -3.773 -2.212 1.00 0.00 C HETATM 159 CD2 CGU A 11 20.828 -1.396 -1.970 1.00 0.00 C HETATM 160 OE11 CGU A 11 21.978 -4.465 -1.318 1.00 0.00 O HETATM 161 OE12 CGU A 11 21.936 -3.776 -3.359 1.00 0.00 O HETATM 162 OE21 CGU A 11 21.992 -1.198 -2.275 1.00 0.00 O HETATM 163 OE22 CGU A 11 20.022 -0.509 -1.746 1.00 0.00 O HETATM 0 HN2 CGU A 11 17.488 -2.610 -1.914 1.00 0.00 H new HETATM 0 HG CGU A 11 19.529 -3.008 -2.575 1.00 0.00 H new HETATM 0 HB3 CGU A 11 20.665 -2.989 0.253 1.00 0.00 H new HETATM 0 HB2 CGU A 11 19.559 -4.190 -0.384 1.00 0.00 H new HETATM 0 HA CGU A 11 18.017 -2.771 0.573 1.00 0.00 H new ATOM 169 N PHE A 12 18.342 -0.207 1.063 1.00 0.00 N ATOM 170 CA PHE A 12 18.691 1.099 1.672 1.00 0.00 C ATOM 171 C PHE A 12 18.810 0.974 3.197 1.00 0.00 C ATOM 172 O PHE A 12 19.690 1.552 3.803 1.00 0.00 O ATOM 173 CB PHE A 12 17.586 2.094 1.286 1.00 0.00 C ATOM 174 CG PHE A 12 16.402 1.987 2.223 1.00 0.00 C ATOM 175 CD1 PHE A 12 15.826 0.741 2.508 1.00 0.00 C ATOM 176 CD2 PHE A 12 15.875 3.146 2.803 1.00 0.00 C ATOM 177 CE1 PHE A 12 14.729 0.659 3.374 1.00 0.00 C ATOM 178 CE2 PHE A 12 14.779 3.063 3.667 1.00 0.00 C ATOM 179 CZ PHE A 12 14.206 1.819 3.955 1.00 0.00 C ATOM 0 H PHE A 12 17.351 -0.440 1.117 1.00 0.00 H new ATOM 0 HA PHE A 12 19.658 1.446 1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 12 17.982 3.109 1.311 1.00 0.00 H new ATOM 0 HB3 PHE A 12 17.262 1.903 0.263 1.00 0.00 H new ATOM 0 HD1 PHE A 12 16.228 -0.155 2.060 1.00 0.00 H new ATOM 0 HD2 PHE A 12 16.316 4.107 2.583 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.286 -0.301 3.594 1.00 0.00 H new ATOM 0 HE2 PHE A 12 14.374 3.960 4.113 1.00 0.00 H new ATOM 0 HZ PHE A 12 13.361 1.755 4.625 1.00 0.00 H new ATOM 189 N ALA A 13 17.948 0.221 3.825 1.00 0.00 N ATOM 190 CA ALA A 13 18.035 0.063 5.302 1.00 0.00 C ATOM 191 C ALA A 13 19.156 -0.923 5.637 1.00 0.00 C ATOM 192 O ALA A 13 19.806 -0.815 6.657 1.00 0.00 O ATOM 193 CB ALA A 13 16.706 -0.474 5.839 1.00 0.00 C ATOM 0 H ALA A 13 17.188 -0.291 3.378 1.00 0.00 H new ATOM 0 HA ALA A 13 18.246 1.029 5.761 1.00 0.00 H new ATOM 0 HB1 ALA A 13 16.771 -0.589 6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 13 15.906 0.225 5.596 1.00 0.00 H new ATOM 0 HB3 ALA A 13 16.493 -1.441 5.383 1.00 0.00 H new ATOM 199 N ARG A 14 19.390 -1.884 4.783 1.00 0.00 N ATOM 200 CA ARG A 14 20.471 -2.872 5.054 1.00 0.00 C ATOM 201 C ARG A 14 21.823 -2.242 4.715 1.00 0.00 C ATOM 202 O ARG A 14 22.713 -2.188 5.541 1.00 0.00 O ATOM 203 CB ARG A 14 20.254 -4.123 4.200 1.00 0.00 C ATOM 204 CG ARG A 14 20.810 -3.893 2.798 1.00 0.00 C ATOM 205 CD ARG A 14 20.429 -5.071 1.900 1.00 0.00 C ATOM 206 NE ARG A 14 20.690 -6.349 2.619 1.00 0.00 N ATOM 207 CZ ARG A 14 21.918 -6.734 2.843 1.00 0.00 C ATOM 208 NH1 ARG A 14 22.729 -5.970 3.522 1.00 0.00 N ATOM 209 NH2 ARG A 14 22.332 -7.885 2.390 1.00 0.00 N ATOM 0 H ARG A 14 18.880 -2.026 3.911 1.00 0.00 H new ATOM 0 HA ARG A 14 20.453 -3.154 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 14 20.747 -4.979 4.661 1.00 0.00 H new ATOM 0 HB3 ARG A 14 19.191 -4.358 4.146 1.00 0.00 H new ATOM 0 HG2 ARG A 14 20.414 -2.965 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 14 21.894 -3.788 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 14 19.377 -5.006 1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 14 21.005 -5.038 0.975 1.00 0.00 H new ATOM 0 HE ARG A 14 19.910 -6.924 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.404 -5.071 3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.688 -6.272 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.697 -8.483 1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 14 23.291 -8.187 2.564 1.00 0.00 H new HETATM 223 N CGU A 15 21.987 -1.752 3.514 1.00 0.00 N HETATM 224 CA CGU A 15 23.281 -1.120 3.153 1.00 0.00 C HETATM 225 C CGU A 15 23.695 -0.226 4.306 1.00 0.00 C HETATM 226 O CGU A 15 24.849 -0.131 4.672 1.00 0.00 O HETATM 227 CB CGU A 15 23.099 -0.259 1.905 1.00 0.00 C HETATM 228 CG CGU A 15 23.585 -1.022 0.675 1.00 0.00 C HETATM 229 CD1 CGU A 15 23.408 -0.150 -0.570 1.00 0.00 C HETATM 230 CD2 CGU A 15 25.069 -1.361 0.829 1.00 0.00 C HETATM 231 OE11 CGU A 15 22.436 0.584 -0.621 1.00 0.00 O HETATM 232 OE12 CGU A 15 24.247 -0.233 -1.452 1.00 0.00 O HETATM 233 OE21 CGU A 15 25.866 -0.438 0.897 1.00 0.00 O HETATM 234 OE22 CGU A 15 25.386 -2.539 0.873 1.00 0.00 O HETATM 0 HN2 CGU A 15 21.535 -2.396 2.865 1.00 0.00 H new HETATM 0 HG CGU A 15 23.005 -1.939 0.575 1.00 0.00 H new HETATM 0 HB3 CGU A 15 22.049 0.009 1.787 1.00 0.00 H new HETATM 0 HB2 CGU A 15 23.656 0.672 2.010 1.00 0.00 H new HETATM 0 HA CGU A 15 24.034 -1.883 2.958 1.00 0.00 H new ATOM 240 N LEU A 16 22.734 0.425 4.876 1.00 0.00 N ATOM 241 CA LEU A 16 23.011 1.335 6.023 1.00 0.00 C ATOM 242 C LEU A 16 23.713 0.552 7.136 1.00 0.00 C ATOM 243 O LEU A 16 24.580 1.062 7.817 1.00 0.00 O ATOM 244 CB LEU A 16 21.688 1.896 6.552 1.00 0.00 C ATOM 245 CG LEU A 16 21.933 3.242 7.236 1.00 0.00 C ATOM 246 CD1 LEU A 16 22.941 3.066 8.374 1.00 0.00 C ATOM 247 CD2 LEU A 16 22.485 4.239 6.215 1.00 0.00 C ATOM 0 H LEU A 16 21.754 0.370 4.598 1.00 0.00 H new ATOM 0 HA LEU A 16 23.652 2.154 5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 16 20.980 2.018 5.732 1.00 0.00 H new ATOM 0 HB3 LEU A 16 21.241 1.195 7.257 1.00 0.00 H new ATOM 0 HG LEU A 16 20.993 3.617 7.642 1.00 0.00 H new ATOM 0 HD11 LEU A 16 23.113 4.027 8.859 1.00 0.00 H new ATOM 0 HD12 LEU A 16 22.547 2.357 9.102 1.00 0.00 H new ATOM 0 HD13 LEU A 16 23.881 2.689 7.972 1.00 0.00 H new ATOM 0 HD21 LEU A 16 22.660 5.199 6.701 1.00 0.00 H new ATOM 0 HD22 LEU A 16 23.423 3.862 5.809 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.765 4.368 5.407 1.00 0.00 H new ATOM 259 N ALA A 17 23.341 -0.685 7.327 1.00 0.00 N ATOM 260 CA ALA A 17 23.981 -1.501 8.399 1.00 0.00 C ATOM 261 C ALA A 17 25.043 -2.416 7.788 1.00 0.00 C ATOM 262 O ALA A 17 25.568 -3.296 8.441 1.00 0.00 O ATOM 263 CB ALA A 17 22.912 -2.350 9.087 1.00 0.00 C ATOM 0 H ALA A 17 22.622 -1.166 6.787 1.00 0.00 H new ATOM 0 HA ALA A 17 24.453 -0.841 9.126 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.373 -2.949 9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 17 22.156 -1.698 9.525 1.00 0.00 H new ATOM 0 HB3 ALA A 17 22.444 -3.009 8.355 1.00 0.00 H new ATOM 269 N ASN A 18 25.364 -2.217 6.541 1.00 0.00 N ATOM 270 CA ASN A 18 26.386 -3.067 5.885 1.00 0.00 C ATOM 271 C ASN A 18 27.168 -2.197 4.913 1.00 0.00 C ATOM 272 O ASN A 18 27.963 -2.684 4.133 1.00 0.00 O ATOM 273 CB ASN A 18 25.692 -4.191 5.121 1.00 0.00 C ATOM 274 CG ASN A 18 26.684 -5.329 4.871 1.00 0.00 C ATOM 275 OD1 ASN A 18 27.941 -5.159 5.176 1.00 0.00 O flip ATOM 276 ND2 ASN A 18 26.312 -6.382 4.393 1.00 0.00 N flip ATOM 0 H ASN A 18 24.957 -1.495 5.946 1.00 0.00 H new ATOM 0 HA ASN A 18 27.056 -3.502 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 18 24.838 -4.558 5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 18 25.306 -3.816 4.173 1.00 0.00 H new ATOM 0 HD21 ASN A 18 25.329 -6.515 4.155 1.00 0.00 H new ATOM 0 HD22 ASN A 18 26.982 -7.133 4.230 1.00 0.00 H new HETATM 283 N NH2 A 19 26.949 -0.914 4.915 1.00 0.00 N TER 286 NH2 A 19