USER MOD reduce.3.24.130724 H: found=0, std=0, add=123, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 130 hydrogens (27 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 CGUHE22 : A 10 CGUOE22 : A 10 CGU CD2 :(short bond) USER MOD NoAdj-H: A 10 CGUHE12 : A 10 CGUOE12 : A 10 CGU CD1 :(short bond) USER MOD NoAdj-H: A 10 CGU HN2 : A 10 CGU N : A 9 ALA C :(H bumps) USER MOD NoAdj-H: A 10 CGU H : A 10 CGU N : A 9 ALA C :(H bumps) USER MOD NoAdj-H: A 14 CGUHE22 : A 14 CGUOE22 : A 14 CGU CD2 :(short bond) USER MOD NoAdj-H: A 14 CGUHE12 : A 14 CGUOE12 : A 14 CGU CD1 :(short bond) USER MOD NoAdj-H: A 14 CGU HN2 : A 14 CGU N : A 13 ARG C :(H bumps) USER MOD NoAdj-H: A 14 CGU H : A 14 CGU N : A 13 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ -144:sc= -0.487! (180deg=-4.2!) USER MOD Single : A 8 LYS NZ :NH3+ -131:sc= 0.399 (180deg=-0.441) USER MOD Single : A 17 ASN : amide:sc= -1.81 K(o=-1.8,f=-3!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.228 3.882 -0.073 1.00 0.66 N ATOM 2 CA GLY A 1 2.937 3.795 1.239 1.00 0.58 C ATOM 3 C GLY A 1 3.699 2.468 1.329 1.00 0.45 C ATOM 4 O GLY A 1 4.912 2.443 1.394 1.00 0.51 O ATOM 0 H1 GLY A 1 2.243 4.865 -0.411 1.00 0.66 H new ATOM 0 H2 GLY A 1 2.704 3.270 -0.766 1.00 0.66 H new ATOM 0 H3 GLY A 1 1.242 3.571 0.044 1.00 0.66 H new ATOM 0 HA2 GLY A 1 3.629 4.630 1.345 1.00 0.58 H new ATOM 0 HA3 GLY A 1 2.220 3.869 2.056 1.00 0.58 H new ATOM 10 N GLU A 2 2.991 1.369 1.342 1.00 0.39 N ATOM 11 CA GLU A 2 3.653 0.029 1.442 1.00 0.33 C ATOM 12 C GLU A 2 4.817 -0.082 0.444 1.00 0.26 C ATOM 13 O GLU A 2 5.946 -0.344 0.822 1.00 0.28 O ATOM 14 CB GLU A 2 2.614 -1.056 1.142 1.00 0.42 C ATOM 15 CG GLU A 2 3.213 -2.440 1.413 1.00 0.48 C ATOM 16 CD GLU A 2 2.200 -3.519 1.026 1.00 0.60 C ATOM 17 OE1 GLU A 2 1.991 -3.704 -0.162 1.00 0.72 O ATOM 18 OE2 GLU A 2 1.651 -4.138 1.922 1.00 0.78 O1- ATOM 0 H GLU A 2 1.973 1.340 1.287 1.00 0.39 H new ATOM 0 HA GLU A 2 4.053 -0.097 2.448 1.00 0.33 H new ATOM 0 HB2 GLU A 2 1.729 -0.906 1.760 1.00 0.42 H new ATOM 0 HB3 GLU A 2 2.292 -0.986 0.103 1.00 0.42 H new ATOM 0 HG2 GLU A 2 4.133 -2.568 0.842 1.00 0.48 H new ATOM 0 HG3 GLU A 2 3.476 -2.534 2.467 1.00 0.48 H new HETATM 25 N CGU A 3 4.555 0.109 -0.825 1.00 0.26 N HETATM 26 CA CGU A 3 5.649 0.003 -1.837 1.00 0.24 C HETATM 27 C CGU A 3 6.777 0.976 -1.479 1.00 0.20 C HETATM 28 O CGU A 3 7.943 0.624 -1.515 1.00 0.23 O HETATM 29 CB CGU A 3 5.105 0.338 -3.246 1.00 0.28 C HETATM 30 CG CGU A 3 6.257 0.244 -4.261 1.00 0.23 C HETATM 31 CD1 CGU A 3 6.836 -1.179 -4.299 1.00 0.26 C HETATM 32 CD2 CGU A 3 5.791 0.595 -5.680 1.00 0.29 C HETATM 33 OE11 CGU A 3 6.181 -2.091 -3.826 1.00 0.31 O HETATM 34 OE12 CGU A 3 7.927 -1.330 -4.827 1.00 0.37 O HETATM 35 OE21 CGU A 3 6.566 0.356 -6.602 1.00 0.46 O HETATM 36 OE22 CGU A 3 4.689 1.095 -5.829 1.00 0.32 O HETATM 0 HG CGU A 3 7.015 0.957 -3.936 1.00 0.23 H new HETATM 0 HB3 CGU A 3 4.307 -0.354 -3.516 1.00 0.28 H new HETATM 0 HB2 CGU A 3 4.675 1.340 -3.256 1.00 0.28 H new HETATM 0 HA CGU A 3 6.033 -1.017 -1.837 1.00 0.24 H new HETATM 42 N CGU A 4 6.446 2.192 -1.129 1.00 0.21 N HETATM 43 CA CGU A 4 7.499 3.174 -0.764 1.00 0.22 C HETATM 44 C CGU A 4 8.313 2.606 0.400 1.00 0.19 C HETATM 45 O CGU A 4 9.531 2.560 0.356 1.00 0.23 O HETATM 46 CB CGU A 4 6.842 4.494 -0.357 1.00 0.26 C HETATM 47 CG CGU A 4 6.036 5.057 -1.546 1.00 0.34 C HETATM 48 CD1 CGU A 4 6.114 6.591 -1.556 1.00 0.46 C HETATM 49 CD2 CGU A 4 4.564 4.637 -1.418 1.00 0.43 C HETATM 50 OE11 CGU A 4 6.071 7.158 -2.636 1.00 0.45 O HETATM 51 OE12 CGU A 4 6.206 7.174 -0.485 1.00 0.73 O HETATM 52 OE21 CGU A 4 3.732 5.503 -1.190 1.00 0.59 O HETATM 53 OE22 CGU A 4 4.288 3.451 -1.541 1.00 0.67 O HETATM 0 HG CGU A 4 6.457 4.663 -2.471 1.00 0.34 H new HETATM 0 HB3 CGU A 4 6.186 4.337 0.499 1.00 0.26 H new HETATM 0 HB2 CGU A 4 7.603 5.211 -0.048 1.00 0.26 H new HETATM 0 HA CGU A 4 8.158 3.358 -1.613 1.00 0.22 H new ATOM 59 N LEU A 5 7.651 2.141 1.429 1.00 0.19 N ATOM 60 CA LEU A 5 8.384 1.542 2.576 1.00 0.20 C ATOM 61 C LEU A 5 9.167 0.326 2.069 1.00 0.19 C ATOM 62 O LEU A 5 10.337 0.156 2.366 1.00 0.27 O ATOM 63 CB LEU A 5 7.383 1.103 3.650 1.00 0.27 C ATOM 64 CG LEU A 5 7.073 2.281 4.582 1.00 0.36 C ATOM 65 CD1 LEU A 5 5.909 3.101 4.022 1.00 0.44 C ATOM 66 CD2 LEU A 5 6.695 1.751 5.967 1.00 0.51 C ATOM 0 H LEU A 5 6.635 2.152 1.521 1.00 0.19 H new ATOM 0 HA LEU A 5 9.069 2.272 3.008 1.00 0.20 H new ATOM 0 HB2 LEU A 5 6.466 0.747 3.182 1.00 0.27 H new ATOM 0 HB3 LEU A 5 7.792 0.271 4.223 1.00 0.27 H new ATOM 0 HG LEU A 5 7.956 2.915 4.657 1.00 0.36 H new ATOM 0 HD11 LEU A 5 5.697 3.935 4.691 1.00 0.44 H new ATOM 0 HD12 LEU A 5 6.175 3.484 3.037 1.00 0.44 H new ATOM 0 HD13 LEU A 5 5.025 2.468 3.939 1.00 0.44 H new ATOM 0 HD21 LEU A 5 6.475 2.588 6.629 1.00 0.51 H new ATOM 0 HD22 LEU A 5 5.816 1.112 5.885 1.00 0.51 H new ATOM 0 HD23 LEU A 5 7.525 1.174 6.375 1.00 0.51 H new ATOM 78 N ALA A 6 8.526 -0.508 1.286 1.00 0.19 N ATOM 79 CA ALA A 6 9.218 -1.709 0.729 1.00 0.25 C ATOM 80 C ALA A 6 10.466 -1.254 -0.033 1.00 0.24 C ATOM 81 O ALA A 6 11.568 -1.704 0.232 1.00 0.32 O ATOM 82 CB ALA A 6 8.268 -2.447 -0.221 1.00 0.31 C ATOM 0 H ALA A 6 7.550 -0.407 1.009 1.00 0.19 H new ATOM 0 HA ALA A 6 9.509 -2.381 1.536 1.00 0.25 H new ATOM 0 HB1 ALA A 6 8.770 -3.324 -0.629 1.00 0.31 H new ATOM 0 HB2 ALA A 6 7.378 -2.760 0.325 1.00 0.31 H new ATOM 0 HB3 ALA A 6 7.979 -1.783 -1.035 1.00 0.31 H new HETATM 88 N CGU A 7 10.308 -0.349 -0.964 1.00 0.19 N HETATM 89 CA CGU A 7 11.485 0.150 -1.723 1.00 0.22 C HETATM 90 C CGU A 7 12.493 0.725 -0.728 1.00 0.25 C HETATM 91 O CGU A 7 13.672 0.427 -0.772 1.00 0.33 O HETATM 92 CB CGU A 7 11.034 1.246 -2.688 1.00 0.24 C HETATM 93 CG CGU A 7 10.117 0.638 -3.772 1.00 0.22 C HETATM 94 CD1 CGU A 7 9.275 1.745 -4.431 1.00 0.25 C HETATM 95 CD2 CGU A 7 10.961 -0.048 -4.865 1.00 0.27 C HETATM 96 OE11 CGU A 7 9.063 2.767 -3.802 1.00 0.41 O HETATM 97 OE12 CGU A 7 8.844 1.546 -5.560 1.00 0.30 O HETATM 98 OE21 CGU A 7 10.365 -0.594 -5.788 1.00 0.33 O HETATM 99 OE22 CGU A 7 12.175 -0.020 -4.768 1.00 0.38 O HETATM 0 HG CGU A 7 9.466 -0.094 -3.295 1.00 0.22 H new HETATM 0 HB3 CGU A 7 10.503 2.027 -2.144 1.00 0.24 H new HETATM 0 HB2 CGU A 7 11.901 1.715 -3.153 1.00 0.24 H new HETATM 0 HA CGU A 7 11.942 -0.661 -2.290 1.00 0.22 H new ATOM 105 N LYS A 8 12.021 1.536 0.183 1.00 0.23 N ATOM 106 CA LYS A 8 12.924 2.132 1.208 1.00 0.25 C ATOM 107 C LYS A 8 13.627 1.002 1.964 1.00 0.27 C ATOM 108 O LYS A 8 14.827 1.023 2.166 1.00 0.33 O ATOM 109 CB LYS A 8 12.088 2.966 2.179 1.00 0.27 C ATOM 110 CG LYS A 8 13.011 3.803 3.072 1.00 0.29 C ATOM 111 CD LYS A 8 12.495 5.247 3.139 1.00 0.34 C ATOM 112 CE LYS A 8 13.391 6.156 2.295 1.00 0.38 C ATOM 113 NZ LYS A 8 14.727 6.263 2.955 1.00 0.32 N1+ ATOM 0 H LYS A 8 11.042 1.812 0.260 1.00 0.23 H new ATOM 0 HA LYS A 8 13.670 2.770 0.733 1.00 0.25 H new ATOM 0 HB2 LYS A 8 11.413 3.618 1.625 1.00 0.27 H new ATOM 0 HB3 LYS A 8 11.467 2.313 2.793 1.00 0.27 H new ATOM 0 HG2 LYS A 8 13.051 3.374 4.073 1.00 0.29 H new ATOM 0 HG3 LYS A 8 14.027 3.787 2.677 1.00 0.29 H new ATOM 0 HD2 LYS A 8 11.468 5.294 2.776 1.00 0.34 H new ATOM 0 HD3 LYS A 8 12.483 5.591 4.173 1.00 0.34 H new ATOM 0 HE2 LYS A 8 13.499 5.751 1.289 1.00 0.38 H new ATOM 0 HE3 LYS A 8 12.940 7.143 2.195 1.00 0.38 H new ATOM 0 HZ1 LYS A 8 15.003 7.264 3.019 1.00 0.32 H new ATOM 0 HZ2 LYS A 8 14.676 5.856 3.911 1.00 0.32 H new ATOM 0 HZ3 LYS A 8 15.433 5.744 2.395 1.00 0.32 H new ATOM 127 N ALA A 9 12.877 0.014 2.371 1.00 0.26 N ATOM 128 CA ALA A 9 13.469 -1.139 3.110 1.00 0.28 C ATOM 129 C ALA A 9 14.598 -1.772 2.284 1.00 0.24 C ATOM 130 O ALA A 9 15.678 -2.021 2.788 1.00 0.24 O ATOM 131 CB ALA A 9 12.374 -2.177 3.370 1.00 0.32 C ATOM 0 H ALA A 9 11.870 -0.044 2.222 1.00 0.26 H new ATOM 0 HA ALA A 9 13.882 -0.791 4.057 1.00 0.28 H new ATOM 0 HB1 ALA A 9 12.797 -3.024 3.910 1.00 0.32 H new ATOM 0 HB2 ALA A 9 11.580 -1.727 3.966 1.00 0.32 H new ATOM 0 HB3 ALA A 9 11.965 -2.520 2.420 1.00 0.32 H new HETATM 137 N CGU A 10 14.368 -2.037 1.021 1.00 0.24 N HETATM 138 CA CGU A 10 15.437 -2.652 0.200 1.00 0.23 C HETATM 139 C CGU A 10 16.527 -1.602 -0.088 1.00 0.20 C HETATM 140 O CGU A 10 17.706 -1.881 0.029 1.00 0.20 O HETATM 141 CB CGU A 10 14.841 -3.196 -1.113 1.00 0.26 C HETATM 142 CG CGU A 10 15.992 -3.485 -2.078 1.00 0.25 C HETATM 143 CD1 CGU A 10 15.517 -3.578 -3.534 1.00 0.32 C HETATM 144 CD2 CGU A 10 16.685 -4.814 -1.721 1.00 0.27 C HETATM 145 OE11 CGU A 10 16.382 -3.624 -4.406 1.00 0.38 O HETATM 146 OE12 CGU A 10 14.319 -3.615 -3.761 1.00 0.35 O HETATM 147 OE21 CGU A 10 17.389 -5.341 -2.578 1.00 0.30 O HETATM 148 OE22 CGU A 10 16.517 -5.283 -0.607 1.00 0.30 O HETATM 0 HG CGU A 10 16.687 -2.651 -1.980 1.00 0.25 H new HETATM 0 HB3 CGU A 10 14.268 -4.103 -0.923 1.00 0.26 H new HETATM 0 HB2 CGU A 10 14.154 -2.470 -1.548 1.00 0.26 H new HETATM 0 HA CGU A 10 15.886 -3.484 0.743 1.00 0.23 H new ATOM 154 N PHE A 11 16.152 -0.394 -0.440 1.00 0.22 N ATOM 155 CA PHE A 11 17.183 0.657 -0.710 1.00 0.21 C ATOM 156 C PHE A 11 17.946 0.917 0.586 1.00 0.19 C ATOM 157 O PHE A 11 19.150 1.077 0.586 1.00 0.21 O ATOM 158 CB PHE A 11 16.481 1.921 -1.246 1.00 0.26 C ATOM 159 CG PHE A 11 17.013 3.193 -0.611 1.00 0.30 C ATOM 160 CD1 PHE A 11 17.678 4.139 -1.399 1.00 0.38 C ATOM 161 CD2 PHE A 11 16.804 3.446 0.749 1.00 0.33 C ATOM 162 CE1 PHE A 11 18.131 5.335 -0.825 1.00 0.47 C ATOM 163 CE2 PHE A 11 17.265 4.634 1.324 1.00 0.42 C ATOM 164 CZ PHE A 11 17.927 5.580 0.537 1.00 0.49 C ATOM 0 H PHE A 11 15.184 -0.093 -0.551 1.00 0.22 H new ATOM 0 HA PHE A 11 17.899 0.337 -1.468 1.00 0.21 H new ATOM 0 HB2 PHE A 11 16.612 1.975 -2.327 1.00 0.26 H new ATOM 0 HB3 PHE A 11 15.410 1.845 -1.059 1.00 0.26 H new ATOM 0 HD1 PHE A 11 17.842 3.948 -2.449 1.00 0.38 H new ATOM 0 HD2 PHE A 11 16.284 2.720 1.357 1.00 0.33 H new ATOM 0 HE1 PHE A 11 18.638 6.068 -1.435 1.00 0.47 H new ATOM 0 HE2 PHE A 11 17.109 4.821 2.376 1.00 0.42 H new ATOM 0 HZ PHE A 11 18.281 6.499 0.980 1.00 0.49 H new ATOM 174 N ALA A 12 17.260 0.921 1.698 1.00 0.20 N ATOM 175 CA ALA A 12 17.951 1.141 2.993 1.00 0.20 C ATOM 176 C ALA A 12 18.996 0.046 3.186 1.00 0.17 C ATOM 177 O ALA A 12 20.030 0.268 3.773 1.00 0.21 O ATOM 178 CB ALA A 12 16.931 1.088 4.132 1.00 0.24 C ATOM 0 H ALA A 12 16.252 0.781 1.761 1.00 0.20 H new ATOM 0 HA ALA A 12 18.436 2.117 2.995 1.00 0.20 H new ATOM 0 HB1 ALA A 12 17.439 1.250 5.083 1.00 0.24 H new ATOM 0 HB2 ALA A 12 16.181 1.865 3.985 1.00 0.24 H new ATOM 0 HB3 ALA A 12 16.446 0.112 4.141 1.00 0.24 H new ATOM 184 N ARG A 13 18.740 -1.134 2.686 1.00 0.17 N ATOM 185 CA ARG A 13 19.733 -2.232 2.846 1.00 0.19 C ATOM 186 C ARG A 13 20.944 -1.962 1.945 1.00 0.19 C ATOM 187 O ARG A 13 22.046 -1.771 2.420 1.00 0.24 O ATOM 188 CB ARG A 13 19.081 -3.564 2.460 1.00 0.23 C ATOM 189 CG ARG A 13 20.075 -4.705 2.697 1.00 0.27 C ATOM 190 CD ARG A 13 19.429 -6.042 2.326 1.00 0.31 C ATOM 191 NE ARG A 13 19.279 -6.128 0.843 1.00 0.28 N ATOM 192 CZ ARG A 13 18.932 -7.246 0.288 1.00 0.30 C ATOM 193 NH1 ARG A 13 17.791 -7.337 -0.302 1.00 0.40 N1+ ATOM 194 NH2 ARG A 13 19.729 -8.262 0.321 1.00 0.31 N ATOM 0 H ARG A 13 17.892 -1.382 2.177 1.00 0.17 H new ATOM 0 HA ARG A 13 20.064 -2.280 3.883 1.00 0.19 H new ATOM 0 HB2 ARG A 13 18.179 -3.724 3.050 1.00 0.23 H new ATOM 0 HB3 ARG A 13 18.777 -3.543 1.413 1.00 0.23 H new ATOM 0 HG2 ARG A 13 20.973 -4.547 2.100 1.00 0.27 H new ATOM 0 HG3 ARG A 13 20.385 -4.718 3.742 1.00 0.27 H new ATOM 0 HD2 ARG A 13 20.042 -6.867 2.689 1.00 0.31 H new ATOM 0 HD3 ARG A 13 18.455 -6.133 2.807 1.00 0.31 H new ATOM 0 HE ARG A 13 19.450 -5.305 0.266 1.00 0.28 H new ATOM 0 HH11 ARG A 13 17.166 -6.531 -0.331 1.00 0.40 H new ATOM 0 HH12 ARG A 13 17.512 -8.215 -0.741 1.00 0.40 H new ATOM 0 HH21 ARG A 13 20.634 -8.185 0.785 1.00 0.31 H new ATOM 0 HH22 ARG A 13 19.453 -9.141 -0.117 1.00 0.31 H new HETATM 208 N CGU A 14 20.750 -1.948 0.651 1.00 0.17 N HETATM 209 CA CGU A 14 21.884 -1.701 -0.281 1.00 0.20 C HETATM 210 C CGU A 14 22.539 -0.342 -0.007 1.00 0.21 C HETATM 211 O CGU A 14 23.744 -0.208 -0.090 1.00 0.27 O HETATM 212 CB CGU A 14 21.355 -1.742 -1.718 1.00 0.19 C HETATM 213 CG CGU A 14 21.054 -3.196 -2.100 1.00 0.23 C HETATM 214 CD1 CGU A 14 19.618 -3.523 -1.716 1.00 0.23 C HETATM 215 CD2 CGU A 14 21.213 -3.408 -3.621 1.00 0.27 C HETATM 216 OE11 CGU A 14 18.731 -3.044 -2.401 1.00 0.24 O HETATM 217 OE12 CGU A 14 19.427 -4.254 -0.761 1.00 0.28 O HETATM 218 OE21 CGU A 14 22.234 -3.006 -4.151 1.00 0.32 O HETATM 219 OE22 CGU A 14 20.305 -3.977 -4.230 1.00 0.36 O HETATM 0 HG CGU A 14 21.755 -3.844 -1.574 1.00 0.23 H new HETATM 0 HB3 CGU A 14 20.453 -1.136 -1.804 1.00 0.19 H new HETATM 0 HB2 CGU A 14 22.090 -1.318 -2.402 1.00 0.19 H new HETATM 0 HA CGU A 14 22.640 -2.472 -0.133 1.00 0.20 H new ATOM 225 N LEU A 15 21.773 0.672 0.300 1.00 0.20 N ATOM 226 CA LEU A 15 22.391 2.003 0.549 1.00 0.25 C ATOM 227 C LEU A 15 22.905 2.105 1.994 1.00 0.26 C ATOM 228 O LEU A 15 23.729 2.949 2.300 1.00 0.31 O ATOM 229 CB LEU A 15 21.365 3.106 0.236 1.00 0.27 C ATOM 230 CG LEU A 15 21.262 3.281 -1.287 1.00 0.30 C ATOM 231 CD1 LEU A 15 20.276 2.265 -1.863 1.00 0.40 C ATOM 232 CD2 LEU A 15 20.779 4.693 -1.605 1.00 0.28 C ATOM 0 H LEU A 15 20.757 0.636 0.388 1.00 0.20 H new ATOM 0 HA LEU A 15 23.252 2.131 -0.107 1.00 0.25 H new ATOM 0 HB2 LEU A 15 20.392 2.843 0.651 1.00 0.27 H new ATOM 0 HB3 LEU A 15 21.667 4.044 0.702 1.00 0.27 H new ATOM 0 HG LEU A 15 22.244 3.120 -1.732 1.00 0.30 H new ATOM 0 HD11 LEU A 15 20.208 2.395 -2.943 1.00 0.40 H new ATOM 0 HD12 LEU A 15 20.622 1.256 -1.640 1.00 0.40 H new ATOM 0 HD13 LEU A 15 19.293 2.418 -1.417 1.00 0.40 H new ATOM 0 HD21 LEU A 15 20.706 4.818 -2.685 1.00 0.28 H new ATOM 0 HD22 LEU A 15 19.800 4.853 -1.154 1.00 0.28 H new ATOM 0 HD23 LEU A 15 21.486 5.419 -1.203 1.00 0.28 H new ATOM 244 N ALA A 16 22.468 1.238 2.879 1.00 0.27 N ATOM 245 CA ALA A 16 22.989 1.296 4.282 1.00 0.30 C ATOM 246 C ALA A 16 24.479 0.951 4.258 1.00 0.27 C ATOM 247 O ALA A 16 25.296 1.649 4.825 1.00 0.35 O ATOM 248 CB ALA A 16 22.245 0.293 5.168 1.00 0.38 C ATOM 0 H ALA A 16 21.784 0.504 2.694 1.00 0.27 H new ATOM 0 HA ALA A 16 22.836 2.296 4.689 1.00 0.30 H new ATOM 0 HB1 ALA A 16 22.635 0.347 6.185 1.00 0.38 H new ATOM 0 HB2 ALA A 16 21.181 0.532 5.174 1.00 0.38 H new ATOM 0 HB3 ALA A 16 22.389 -0.714 4.777 1.00 0.38 H new ATOM 254 N ASN A 17 24.843 -0.110 3.584 1.00 0.29 N ATOM 255 CA ASN A 17 26.287 -0.478 3.501 1.00 0.40 C ATOM 256 C ASN A 17 26.998 0.573 2.644 1.00 0.39 C ATOM 257 O ASN A 17 28.174 0.831 2.798 1.00 0.48 O ATOM 258 CB ASN A 17 26.432 -1.864 2.860 1.00 0.53 C ATOM 259 CG ASN A 17 25.681 -1.902 1.530 1.00 0.39 C ATOM 260 OD1 ASN A 17 24.603 -2.447 1.442 1.00 0.64 O ATOM 261 ND2 ASN A 17 26.207 -1.343 0.483 1.00 0.63 N ATOM 0 H ASN A 17 24.205 -0.734 3.090 1.00 0.29 H new ATOM 0 HA ASN A 17 26.729 -0.510 4.497 1.00 0.40 H new ATOM 0 HB2 ASN A 17 27.486 -2.092 2.699 1.00 0.53 H new ATOM 0 HB3 ASN A 17 26.040 -2.628 3.531 1.00 0.53 H new ATOM 0 HD21 ASN A 17 25.713 -1.364 -0.409 1.00 0.63 H new ATOM 0 HD22 ASN A 17 27.115 -0.883 0.552 1.00 0.63 H new ATOM 268 N TYR A 18 26.273 1.178 1.742 1.00 0.36 N ATOM 269 CA TYR A 18 26.866 2.224 0.860 1.00 0.42 C ATOM 270 C TYR A 18 26.992 3.546 1.637 1.00 0.50 C ATOM 271 O TYR A 18 28.051 4.132 1.698 1.00 0.63 O ATOM 272 CB TYR A 18 25.956 2.428 -0.355 1.00 0.40 C ATOM 273 CG TYR A 18 26.604 3.381 -1.335 1.00 0.37 C ATOM 274 CD1 TYR A 18 27.735 2.984 -2.059 1.00 0.61 C ATOM 275 CD2 TYR A 18 26.076 4.665 -1.517 1.00 0.51 C ATOM 276 CE1 TYR A 18 28.333 3.870 -2.964 1.00 0.70 C ATOM 277 CE2 TYR A 18 26.676 5.547 -2.422 1.00 0.58 C ATOM 278 CZ TYR A 18 27.803 5.148 -3.143 1.00 0.59 C ATOM 279 OH TYR A 18 28.394 6.019 -4.030 1.00 0.75 O ATOM 0 H TYR A 18 25.284 0.990 1.577 1.00 0.36 H new ATOM 0 HA TYR A 18 27.856 1.908 0.530 1.00 0.42 H new ATOM 0 HB2 TYR A 18 25.763 1.471 -0.840 1.00 0.40 H new ATOM 0 HB3 TYR A 18 24.992 2.823 -0.035 1.00 0.40 H new ATOM 0 HD1 TYR A 18 28.146 1.995 -1.920 1.00 0.61 H new ATOM 0 HD2 TYR A 18 25.205 4.975 -0.958 1.00 0.51 H new ATOM 0 HE1 TYR A 18 29.205 3.564 -3.523 1.00 0.70 H new ATOM 0 HE2 TYR A 18 26.267 6.537 -2.563 1.00 0.58 H new ATOM 0 HH TYR A 18 27.900 6.866 -4.035 1.00 0.75 H new HETATM 289 N NH2 A 19 25.947 4.048 2.238 1.00 0.48 N TER 292 NH2 A 19