USER MOD reduce.3.24.130724 H: found=0, std=0, add=123, 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 HN2 : A 4 CGU N : A 3 CGU C :(H bumps) 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+ -163:sc= 0 (180deg=-0.139) USER MOD Single : A 10 HYP OD1 : rot 88:sc= 0.00719 USER MOD Single : A 18 ASN : amide:sc=-0.00187 X(o=-0.0019,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.335 -0.090 0.402 1.00 0.00 N ATOM 2 CA GLY A 1 0.270 0.795 -0.633 1.00 0.00 C ATOM 3 C GLY A 1 1.733 1.072 -0.278 1.00 0.00 C ATOM 4 O GLY A 1 2.147 2.208 -0.156 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.329 -0.278 0.160 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.188 -0.988 0.439 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.287 0.378 1.330 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.206 0.322 -1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.284 1.732 -0.694 1.00 0.00 H new ATOM 10 N GLU A 2 2.520 0.043 -0.114 1.00 0.00 N ATOM 11 CA GLU A 2 3.955 0.250 0.232 1.00 0.00 C ATOM 12 C GLU A 2 4.829 -0.223 -0.931 1.00 0.00 C ATOM 13 O GLU A 2 5.976 -0.582 -0.756 1.00 0.00 O ATOM 14 CB GLU A 2 4.299 -0.551 1.489 1.00 0.00 C ATOM 15 CG GLU A 2 4.080 -2.042 1.221 1.00 0.00 C ATOM 16 CD GLU A 2 4.296 -2.831 2.515 1.00 0.00 C ATOM 17 OE1 GLU A 2 5.389 -2.763 3.052 1.00 0.00 O ATOM 18 OE2 GLU A 2 3.364 -3.489 2.946 1.00 0.00 O ATOM 0 H GLU A 2 2.231 -0.931 -0.205 1.00 0.00 H new ATOM 0 HA GLU A 2 4.136 1.309 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 2 5.335 -0.371 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.676 -0.225 2.322 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.071 -2.210 0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.770 -2.389 0.452 1.00 0.00 H new HETATM 25 N CGU A 3 4.292 -0.227 -2.121 1.00 0.00 N HETATM 26 CA CGU A 3 5.082 -0.677 -3.299 1.00 0.00 C HETATM 27 C CGU A 3 6.028 0.435 -3.732 1.00 0.00 C HETATM 28 O CGU A 3 7.222 0.245 -3.853 1.00 0.00 O HETATM 29 CB CGU A 3 4.128 -0.985 -4.449 1.00 0.00 C HETATM 30 CG CGU A 3 4.552 -2.289 -5.124 1.00 0.00 C HETATM 31 CD1 CGU A 3 3.611 -2.606 -6.287 1.00 0.00 C HETATM 32 CD2 CGU A 3 4.490 -3.436 -4.116 1.00 0.00 C HETATM 33 OE11 CGU A 3 3.473 -1.763 -7.159 1.00 0.00 O HETATM 34 OE12 CGU A 3 3.048 -3.688 -6.290 1.00 0.00 O HETATM 35 OE21 CGU A 3 3.489 -3.539 -3.426 1.00 0.00 O HETATM 36 OE22 CGU A 3 5.445 -4.193 -4.051 1.00 0.00 O HETATM 0 HG CGU A 3 5.570 -2.175 -5.496 1.00 0.00 H new HETATM 0 HB3 CGU A 3 3.107 -1.071 -4.076 1.00 0.00 H new HETATM 0 HB2 CGU A 3 4.136 -0.169 -5.172 1.00 0.00 H new HETATM 0 HA CGU A 3 5.655 -1.566 -3.035 1.00 0.00 H new HETATM 42 N CGU A 4 5.501 1.599 -3.964 1.00 0.00 N HETATM 43 CA CGU A 4 6.366 2.733 -4.391 1.00 0.00 C HETATM 44 C CGU A 4 7.294 3.083 -3.234 1.00 0.00 C HETATM 45 O CGU A 4 8.478 3.291 -3.406 1.00 0.00 O HETATM 46 CB CGU A 4 5.486 3.931 -4.787 1.00 0.00 C HETATM 47 CG CGU A 4 5.558 5.029 -3.736 1.00 0.00 C HETATM 48 CD1 CGU A 4 4.516 6.106 -4.047 1.00 0.00 C HETATM 49 CD2 CGU A 4 6.946 5.675 -3.745 1.00 0.00 C HETATM 50 OE11 CGU A 4 3.359 5.893 -3.724 1.00 0.00 O HETATM 51 OE12 CGU A 4 4.893 7.124 -4.602 1.00 0.00 O HETATM 52 OE21 CGU A 4 7.478 5.876 -4.825 1.00 0.00 O HETATM 53 OE22 CGU A 4 7.454 5.961 -2.674 1.00 0.00 O HETATM 0 HG CGU A 4 5.364 4.590 -2.758 1.00 0.00 H new HETATM 0 HB3 CGU A 4 5.811 4.323 -5.751 1.00 0.00 H new HETATM 0 HB2 CGU A 4 4.453 3.604 -4.907 1.00 0.00 H new HETATM 0 HA CGU A 4 6.965 2.461 -5.260 1.00 0.00 H new ATOM 59 N LEU A 5 6.755 3.142 -2.056 1.00 0.00 N ATOM 60 CA LEU A 5 7.586 3.470 -0.863 1.00 0.00 C ATOM 61 C LEU A 5 8.722 2.452 -0.744 1.00 0.00 C ATOM 62 O LEU A 5 9.806 2.763 -0.292 1.00 0.00 O ATOM 63 CB LEU A 5 6.723 3.410 0.400 1.00 0.00 C ATOM 64 CG LEU A 5 5.463 4.252 0.206 1.00 0.00 C ATOM 65 CD1 LEU A 5 4.507 4.017 1.378 1.00 0.00 C ATOM 66 CD2 LEU A 5 5.840 5.734 0.150 1.00 0.00 C ATOM 0 H LEU A 5 5.767 2.977 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 5 7.997 4.473 -0.974 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.451 2.377 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.289 3.777 1.256 1.00 0.00 H new ATOM 0 HG LEU A 5 4.977 3.965 -0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.608 4.618 1.240 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.236 2.962 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.996 4.304 2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.940 6.333 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 5 6.327 6.021 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.521 5.905 -0.683 1.00 0.00 H new ATOM 78 N ALA A 6 8.479 1.235 -1.143 1.00 0.00 N ATOM 79 CA ALA A 6 9.542 0.194 -1.051 1.00 0.00 C ATOM 80 C ALA A 6 10.376 0.189 -2.335 1.00 0.00 C ATOM 81 O ALA A 6 11.590 0.143 -2.298 1.00 0.00 O ATOM 82 CB ALA A 6 8.894 -1.179 -0.863 1.00 0.00 C ATOM 0 H ALA A 6 7.591 0.915 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 6 10.189 0.415 -0.202 1.00 0.00 H new ATOM 0 HB1 ALA A 6 9.670 -1.941 -0.796 1.00 0.00 H new ATOM 0 HB2 ALA A 6 8.303 -1.180 0.053 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.246 -1.395 -1.713 1.00 0.00 H new HETATM 88 N CGU A 7 9.735 0.226 -3.472 1.00 0.00 N HETATM 89 CA CGU A 7 10.488 0.211 -4.758 1.00 0.00 C HETATM 90 C CGU A 7 11.436 1.414 -4.829 1.00 0.00 C HETATM 91 O CGU A 7 12.463 1.363 -5.476 1.00 0.00 O HETATM 92 CB CGU A 7 9.503 0.267 -5.927 1.00 0.00 C HETATM 93 CG CGU A 7 8.666 -1.015 -5.959 1.00 0.00 C HETATM 94 CD1 CGU A 7 7.437 -0.800 -6.844 1.00 0.00 C HETATM 95 CD2 CGU A 7 9.491 -2.165 -6.541 1.00 0.00 C HETATM 96 OE11 CGU A 7 6.654 0.081 -6.532 1.00 0.00 O HETATM 97 OE12 CGU A 7 7.300 -1.521 -7.820 1.00 0.00 O HETATM 98 OE21 CGU A 7 10.707 -2.076 -6.503 1.00 0.00 O HETATM 99 OE22 CGU A 7 8.892 -3.117 -7.014 1.00 0.00 O HETATM 0 HG CGU A 7 8.360 -1.260 -4.942 1.00 0.00 H new HETATM 0 HB3 CGU A 7 8.852 1.135 -5.825 1.00 0.00 H new HETATM 0 HB2 CGU A 7 10.044 0.383 -6.866 1.00 0.00 H new HETATM 0 HA CGU A 7 11.074 -0.706 -4.816 1.00 0.00 H new ATOM 105 N LYS A 8 11.105 2.496 -4.176 1.00 0.00 N ATOM 106 CA LYS A 8 12.000 3.688 -4.227 1.00 0.00 C ATOM 107 C LYS A 8 13.058 3.587 -3.124 1.00 0.00 C ATOM 108 O LYS A 8 13.958 4.400 -3.036 1.00 0.00 O ATOM 109 CB LYS A 8 11.159 4.968 -4.085 1.00 0.00 C ATOM 110 CG LYS A 8 11.344 5.614 -2.708 1.00 0.00 C ATOM 111 CD LYS A 8 10.790 4.692 -1.623 1.00 0.00 C ATOM 112 CE LYS A 8 10.266 5.534 -0.457 1.00 0.00 C ATOM 113 NZ LYS A 8 11.376 6.358 0.100 1.00 0.00 N ATOM 0 H LYS A 8 10.261 2.606 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 8 12.517 3.725 -5.186 1.00 0.00 H new ATOM 0 HB2 LYS A 8 11.442 5.678 -4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.106 4.731 -4.238 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.401 5.809 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 8 10.832 6.576 -2.676 1.00 0.00 H new ATOM 0 HD2 LYS A 8 9.988 4.075 -2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 8 11.569 4.014 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 8 9.455 6.179 -0.796 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.856 4.886 0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 11.112 6.702 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 12.237 5.779 0.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.554 7.169 -0.526 1.00 0.00 H new ATOM 127 N ALA A 9 12.964 2.592 -2.284 1.00 0.00 N ATOM 128 CA ALA A 9 13.968 2.443 -1.190 1.00 0.00 C ATOM 129 C ALA A 9 14.583 1.045 -1.227 1.00 0.00 C ATOM 130 O ALA A 9 14.567 0.330 -0.245 1.00 0.00 O ATOM 131 CB ALA A 9 13.289 2.657 0.159 1.00 0.00 C ATOM 0 H ALA A 9 12.237 1.877 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 9 14.754 3.185 -1.330 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.023 2.548 0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 9 12.859 3.658 0.195 1.00 0.00 H new ATOM 0 HB3 ALA A 9 12.498 1.918 0.290 1.00 0.00 H new HETATM 137 N HYP A 10 15.150 0.678 -2.344 1.00 0.00 N HETATM 138 CA HYP A 10 15.828 -0.629 -2.502 1.00 0.00 C HETATM 139 C HYP A 10 16.672 -0.875 -1.247 1.00 0.00 C HETATM 140 O HYP A 10 16.697 -0.037 -0.382 1.00 0.00 O HETATM 141 CB HYP A 10 16.725 -0.433 -3.745 1.00 0.00 C HETATM 142 CG HYP A 10 16.528 0.988 -4.189 1.00 0.00 C HETATM 143 CD HYP A 10 15.920 1.718 -3.000 1.00 0.00 C HETATM 144 OD1 HYP A 10 15.661 1.073 -5.253 1.00 0.00 O HETATM 0 HD23 HYP A 10 15.290 2.550 -3.315 1.00 0.00 H new HETATM 0 HD22 HYP A 10 16.686 2.129 -2.343 1.00 0.00 H new HETATM 0 HG HYP A 10 17.478 1.416 -4.509 1.00 0.00 H new HETATM 0 HD1 HYP A 10 14.741 1.136 -4.921 1.00 0.00 H new HETATM 0 HB3 HYP A 10 17.771 -0.623 -3.503 1.00 0.00 H new HETATM 0 HB2 HYP A 10 16.449 -1.129 -4.537 1.00 0.00 H new HETATM 0 HA HYP A 10 15.155 -1.478 -2.623 1.00 0.00 H new HETATM 152 N CGU A 11 17.349 -1.988 -1.123 1.00 0.00 N HETATM 153 CA CGU A 11 18.173 -2.236 0.097 1.00 0.00 C HETATM 154 C CGU A 11 18.994 -0.986 0.398 1.00 0.00 C HETATM 155 O CGU A 11 20.191 -0.931 0.198 1.00 0.00 O HETATM 156 CB CGU A 11 19.128 -3.392 -0.143 1.00 0.00 C HETATM 157 CG CGU A 11 19.541 -3.434 -1.613 1.00 0.00 C HETATM 158 CD1 CGU A 11 20.468 -4.629 -1.851 1.00 0.00 C HETATM 159 CD2 CGU A 11 20.290 -2.154 -1.983 1.00 0.00 C HETATM 160 OE11 CGU A 11 20.741 -4.921 -3.004 1.00 0.00 O HETATM 161 OE12 CGU A 11 20.890 -5.230 -0.877 1.00 0.00 O HETATM 162 OE21 CGU A 11 19.675 -1.101 -1.954 1.00 0.00 O HETATM 163 OE22 CGU A 11 21.466 -2.248 -2.293 1.00 0.00 O HETATM 0 HN2 CGU A 11 16.731 -2.718 -1.478 1.00 0.00 H new HETATM 0 HG CGU A 11 18.645 -3.526 -2.227 1.00 0.00 H new HETATM 0 HB3 CGU A 11 20.010 -3.282 0.488 1.00 0.00 H new HETATM 0 HB2 CGU A 11 18.651 -4.332 0.136 1.00 0.00 H new HETATM 0 HA CGU A 11 17.514 -2.476 0.931 1.00 0.00 H new ATOM 169 N PHE A 12 18.323 0.015 0.842 1.00 0.00 N ATOM 170 CA PHE A 12 18.958 1.317 1.147 1.00 0.00 C ATOM 171 C PHE A 12 19.208 1.429 2.652 1.00 0.00 C ATOM 172 O PHE A 12 20.282 1.795 3.088 1.00 0.00 O ATOM 173 CB PHE A 12 17.990 2.416 0.691 1.00 0.00 C ATOM 174 CG PHE A 12 17.009 2.721 1.797 1.00 0.00 C ATOM 175 CD1 PHE A 12 15.995 1.806 2.106 1.00 0.00 C ATOM 176 CD2 PHE A 12 17.110 3.920 2.512 1.00 0.00 C ATOM 177 CE1 PHE A 12 15.083 2.089 3.130 1.00 0.00 C ATOM 178 CE2 PHE A 12 16.198 4.204 3.536 1.00 0.00 C ATOM 179 CZ PHE A 12 15.185 3.289 3.845 1.00 0.00 C ATOM 0 H PHE A 12 17.318 -0.010 1.016 1.00 0.00 H new ATOM 0 HA PHE A 12 19.915 1.413 0.634 1.00 0.00 H new ATOM 0 HB2 PHE A 12 18.545 3.316 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 12 17.456 2.096 -0.204 1.00 0.00 H new ATOM 0 HD1 PHE A 12 15.916 0.881 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 12 17.892 4.626 2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.302 1.383 3.368 1.00 0.00 H new ATOM 0 HE2 PHE A 12 16.276 5.129 4.087 1.00 0.00 H new ATOM 0 HZ PHE A 12 14.482 3.508 4.635 1.00 0.00 H new ATOM 189 N ALA A 13 18.224 1.117 3.450 1.00 0.00 N ATOM 190 CA ALA A 13 18.404 1.205 4.926 1.00 0.00 C ATOM 191 C ALA A 13 19.284 0.049 5.400 1.00 0.00 C ATOM 192 O ALA A 13 20.089 0.197 6.299 1.00 0.00 O ATOM 193 CB ALA A 13 17.040 1.121 5.613 1.00 0.00 C ATOM 0 H ALA A 13 17.303 0.805 3.143 1.00 0.00 H new ATOM 0 HA ALA A 13 18.880 2.153 5.178 1.00 0.00 H new ATOM 0 HB1 ALA A 13 17.172 1.185 6.693 1.00 0.00 H new ATOM 0 HB2 ALA A 13 16.411 1.944 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 13 16.564 0.173 5.362 1.00 0.00 H new ATOM 199 N ARG A 14 19.139 -1.105 4.805 1.00 0.00 N ATOM 200 CA ARG A 14 19.970 -2.265 5.228 1.00 0.00 C ATOM 201 C ARG A 14 21.410 -2.054 4.756 1.00 0.00 C ATOM 202 O ARG A 14 22.339 -2.090 5.538 1.00 0.00 O ATOM 203 CB ARG A 14 19.403 -3.555 4.626 1.00 0.00 C ATOM 204 CG ARG A 14 20.040 -3.823 3.263 1.00 0.00 C ATOM 205 CD ARG A 14 19.409 -5.073 2.648 1.00 0.00 C ATOM 206 NE ARG A 14 20.281 -5.579 1.550 1.00 0.00 N ATOM 207 CZ ARG A 14 21.505 -5.952 1.809 1.00 0.00 C ATOM 208 NH1 ARG A 14 22.475 -5.081 1.771 1.00 0.00 N ATOM 209 NH2 ARG A 14 21.759 -7.197 2.110 1.00 0.00 N ATOM 0 H ARG A 14 18.483 -1.292 4.047 1.00 0.00 H new ATOM 0 HA ARG A 14 19.956 -2.348 6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 14 19.594 -4.393 5.296 1.00 0.00 H new ATOM 0 HB3 ARG A 14 18.321 -3.471 4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 14 19.893 -2.966 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 14 21.116 -3.961 3.372 1.00 0.00 H new ATOM 0 HD2 ARG A 14 19.282 -5.842 3.410 1.00 0.00 H new ATOM 0 HD3 ARG A 14 18.417 -4.840 2.261 1.00 0.00 H new ATOM 0 HE ARG A 14 19.922 -5.634 0.597 1.00 0.00 H new ATOM 0 HH11 ARG A 14 22.278 -4.108 1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 14 23.431 -5.373 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 14 21.001 -7.879 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 14 22.716 -7.488 2.312 1.00 0.00 H new HETATM 223 N CGU A 15 21.607 -1.828 3.482 1.00 0.00 N HETATM 224 CA CGU A 15 22.991 -1.611 2.982 1.00 0.00 C HETATM 225 C CGU A 15 23.695 -0.673 3.945 1.00 0.00 C HETATM 226 O CGU A 15 24.876 -0.781 4.207 1.00 0.00 O HETATM 227 CB CGU A 15 22.944 -0.955 1.603 1.00 0.00 C HETATM 228 CG CGU A 15 23.240 -1.996 0.525 1.00 0.00 C HETATM 229 CD1 CGU A 15 23.223 -1.329 -0.851 1.00 0.00 C HETATM 230 CD2 CGU A 15 24.625 -2.604 0.758 1.00 0.00 C HETATM 231 OE11 CGU A 15 23.677 -1.952 -1.796 1.00 0.00 O HETATM 232 OE12 CGU A 15 22.755 -0.205 -0.937 1.00 0.00 O HETATM 233 OE21 CGU A 15 24.824 -3.743 0.368 1.00 0.00 O HETATM 234 OE22 CGU A 15 25.465 -1.921 1.322 1.00 0.00 O HETATM 0 HN2 CGU A 15 20.968 -2.435 2.968 1.00 0.00 H new HETATM 0 HG CGU A 15 22.481 -2.777 0.570 1.00 0.00 H new HETATM 0 HB3 CGU A 15 21.963 -0.512 1.434 1.00 0.00 H new HETATM 0 HB2 CGU A 15 23.672 -0.146 1.550 1.00 0.00 H new HETATM 0 HA CGU A 15 23.516 -2.563 2.910 1.00 0.00 H new ATOM 240 N LEU A 16 22.955 0.250 4.465 1.00 0.00 N ATOM 241 CA LEU A 16 23.534 1.235 5.424 1.00 0.00 C ATOM 242 C LEU A 16 23.988 0.513 6.696 1.00 0.00 C ATOM 243 O LEU A 16 25.009 0.834 7.271 1.00 0.00 O ATOM 244 CB LEU A 16 22.480 2.286 5.780 1.00 0.00 C ATOM 245 CG LEU A 16 22.715 3.546 4.947 1.00 0.00 C ATOM 246 CD1 LEU A 16 23.977 4.255 5.440 1.00 0.00 C ATOM 247 CD2 LEU A 16 22.893 3.155 3.478 1.00 0.00 C ATOM 0 H LEU A 16 21.961 0.373 4.270 1.00 0.00 H new ATOM 0 HA LEU A 16 24.392 1.724 4.962 1.00 0.00 H new ATOM 0 HB2 LEU A 16 21.481 1.893 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 16 22.533 2.524 6.842 1.00 0.00 H new ATOM 0 HG LEU A 16 21.860 4.215 5.047 1.00 0.00 H new ATOM 0 HD11 LEU A 16 24.145 5.154 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 23.854 4.530 6.488 1.00 0.00 H new ATOM 0 HD13 LEU A 16 24.833 3.588 5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 16 23.061 4.051 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 16 23.750 2.488 3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 16 21.995 2.647 3.125 1.00 0.00 H new ATOM 259 N ALA A 17 23.240 -0.459 7.140 1.00 0.00 N ATOM 260 CA ALA A 17 23.635 -1.197 8.374 1.00 0.00 C ATOM 261 C ALA A 17 24.126 -2.595 7.999 1.00 0.00 C ATOM 262 O ALA A 17 24.401 -3.417 8.850 1.00 0.00 O ATOM 263 CB ALA A 17 22.430 -1.314 9.307 1.00 0.00 C ATOM 0 H ALA A 17 22.374 -0.774 6.703 1.00 0.00 H new ATOM 0 HA ALA A 17 24.434 -0.655 8.879 1.00 0.00 H new ATOM 0 HB1 ALA A 17 22.719 -1.854 10.209 1.00 0.00 H new ATOM 0 HB2 ALA A 17 22.081 -0.317 9.577 1.00 0.00 H new ATOM 0 HB3 ALA A 17 21.630 -1.855 8.802 1.00 0.00 H new ATOM 269 N ASN A 18 24.243 -2.869 6.731 1.00 0.00 N ATOM 270 CA ASN A 18 24.719 -4.202 6.293 1.00 0.00 C ATOM 271 C ASN A 18 25.542 -4.006 5.029 1.00 0.00 C ATOM 272 O ASN A 18 25.910 -4.954 4.365 1.00 0.00 O ATOM 273 CB ASN A 18 23.517 -5.093 5.992 1.00 0.00 C ATOM 274 CG ASN A 18 23.930 -6.562 6.098 1.00 0.00 C ATOM 275 OD1 ASN A 18 24.206 -7.052 7.175 1.00 0.00 O ATOM 276 ND2 ASN A 18 23.987 -7.290 5.017 1.00 0.00 N ATOM 0 H ASN A 18 24.027 -2.219 5.976 1.00 0.00 H new ATOM 0 HA ASN A 18 25.321 -4.674 7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 18 22.709 -4.880 6.692 1.00 0.00 H new ATOM 0 HB3 ASN A 18 23.136 -4.883 4.992 1.00 0.00 H new ATOM 0 HD21 ASN A 18 24.263 -8.270 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 18 23.755 -6.879 4.113 1.00 0.00 H new HETATM 283 N NH2 A 19 25.825 -2.789 4.657 1.00 0.00 N TER 286 NH2 A 19