USER MOD reduce.3.24.130724 H: found=0, std=0, add=124, rem=0, adj=4 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 GLN C :(H bumps) USER MOD NoAdj-H: A 7 CGU H : A 7 CGU N : A 6 GLN 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 GLN C :(H bumps) USER MOD NoAdj-H: A 10 CGU H : A 10 CGU N : A 9 GLN 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 H : A 14 CGU N : A 13 ARG C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 169:sc= -0.0949 (180deg=-0.238) USER MOD Single : A 6 GLN : amide:sc= -0.0308 K(o=-0.031,f=-0.58) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.35! C(o=-4.9!,f=-2.3!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN :FLIP amide:sc= 0.16 F(o=-1.3,f=0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.619 2.216 -12.096 1.00 0.00 N ATOM 2 CA GLY A 1 11.608 1.633 -10.724 1.00 0.00 C ATOM 3 C GLY A 1 11.537 2.760 -9.691 1.00 0.00 C ATOM 4 O GLY A 1 11.885 2.583 -8.541 1.00 0.00 O ATOM 0 H1 GLY A 1 11.853 1.474 -12.786 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.681 2.608 -12.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.331 2.973 -12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.755 0.965 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.505 1.035 -10.564 1.00 0.00 H new ATOM 10 N GLU A 2 11.087 3.918 -10.092 1.00 0.00 N ATOM 11 CA GLU A 2 10.993 5.054 -9.131 1.00 0.00 C ATOM 12 C GLU A 2 10.301 4.581 -7.852 1.00 0.00 C ATOM 13 O GLU A 2 10.437 5.178 -6.803 1.00 0.00 O ATOM 14 CB GLU A 2 10.183 6.189 -9.759 1.00 0.00 C ATOM 15 CG GLU A 2 10.929 6.738 -10.977 1.00 0.00 C ATOM 16 CD GLU A 2 10.239 8.013 -11.465 1.00 0.00 C ATOM 17 OE1 GLU A 2 9.768 8.767 -10.628 1.00 0.00 O ATOM 18 OE2 GLU A 2 10.193 8.215 -12.668 1.00 0.00 O ATOM 0 H GLU A 2 10.781 4.126 -11.042 1.00 0.00 H new ATOM 0 HA GLU A 2 11.994 5.413 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.199 5.826 -10.056 1.00 0.00 H new ATOM 0 HB3 GLU A 2 10.024 6.983 -9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 2 11.966 6.950 -10.717 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.946 5.993 -11.773 1.00 0.00 H new HETATM 25 N CGU A 3 9.558 3.511 -7.931 1.00 0.00 N HETATM 26 CA CGU A 3 8.857 2.999 -6.720 1.00 0.00 C HETATM 27 C CGU A 3 9.880 2.384 -5.764 1.00 0.00 C HETATM 28 O CGU A 3 9.706 2.395 -4.562 1.00 0.00 O HETATM 29 CB CGU A 3 7.838 1.934 -7.136 1.00 0.00 C HETATM 30 CG CGU A 3 7.071 1.441 -5.906 1.00 0.00 C HETATM 31 CD1 CGU A 3 6.262 2.594 -5.306 1.00 0.00 C HETATM 32 CD2 CGU A 3 6.105 0.328 -6.319 1.00 0.00 C HETATM 33 OE11 CGU A 3 5.516 3.214 -6.044 1.00 0.00 O HETATM 34 OE12 CGU A 3 6.404 2.834 -4.119 1.00 0.00 O HETATM 35 OE21 CGU A 3 6.533 -0.813 -6.366 1.00 0.00 O HETATM 36 OE22 CGU A 3 4.954 0.637 -6.580 1.00 0.00 O HETATM 0 HG CGU A 3 7.782 1.065 -5.170 1.00 0.00 H new HETATM 0 HB3 CGU A 3 7.144 2.348 -7.867 1.00 0.00 H new HETATM 0 HB2 CGU A 3 8.347 1.099 -7.617 1.00 0.00 H new HETATM 0 HA CGU A 3 8.341 3.819 -6.220 1.00 0.00 H new HETATM 42 N CGU A 4 10.948 1.846 -6.288 1.00 0.00 N HETATM 43 CA CGU A 4 11.979 1.231 -5.410 1.00 0.00 C HETATM 44 C CGU A 4 12.812 2.332 -4.749 1.00 0.00 C HETATM 45 O CGU A 4 13.410 2.131 -3.711 1.00 0.00 O HETATM 46 CB CGU A 4 12.889 0.336 -6.257 1.00 0.00 C HETATM 47 CG CGU A 4 12.187 -0.995 -6.536 1.00 0.00 C HETATM 48 CD1 CGU A 4 10.971 -0.758 -7.434 1.00 0.00 C HETATM 49 CD2 CGU A 4 13.149 -1.945 -7.253 1.00 0.00 C HETATM 50 OE11 CGU A 4 10.963 0.241 -8.135 1.00 0.00 O HETATM 51 OE12 CGU A 4 10.070 -1.579 -7.407 1.00 0.00 O HETATM 52 OE21 CGU A 4 13.022 -3.142 -7.059 1.00 0.00 O HETATM 53 OE22 CGU A 4 13.995 -1.458 -7.986 1.00 0.00 O HETATM 0 HG CGU A 4 11.870 -1.433 -5.590 1.00 0.00 H new HETATM 0 HB3 CGU A 4 13.133 0.833 -7.196 1.00 0.00 H new HETATM 0 HB2 CGU A 4 13.830 0.160 -5.736 1.00 0.00 H new HETATM 0 HA CGU A 4 11.495 0.635 -4.637 1.00 0.00 H new ATOM 59 N LEU A 5 12.854 3.496 -5.340 1.00 0.00 N ATOM 60 CA LEU A 5 13.646 4.607 -4.744 1.00 0.00 C ATOM 61 C LEU A 5 13.064 4.969 -3.377 1.00 0.00 C ATOM 62 O LEU A 5 13.760 5.442 -2.501 1.00 0.00 O ATOM 63 CB LEU A 5 13.582 5.824 -5.673 1.00 0.00 C ATOM 64 CG LEU A 5 14.624 5.689 -6.794 1.00 0.00 C ATOM 65 CD1 LEU A 5 16.041 5.845 -6.225 1.00 0.00 C ATOM 66 CD2 LEU A 5 14.486 4.314 -7.457 1.00 0.00 C ATOM 0 H LEU A 5 12.373 3.724 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 5 14.684 4.297 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 5 12.584 5.911 -6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 5 13.765 6.735 -5.104 1.00 0.00 H new ATOM 0 HG LEU A 5 14.453 6.472 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.769 5.747 -7.030 1.00 0.00 H new ATOM 0 HD12 LEU A 5 16.141 6.827 -5.762 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.220 5.072 -5.478 1.00 0.00 H new ATOM 0 HD21 LEU A 5 15.225 4.218 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 5 14.649 3.534 -6.714 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.485 4.211 -7.877 1.00 0.00 H new ATOM 78 N GLN A 6 11.792 4.747 -3.181 1.00 0.00 N ATOM 79 CA GLN A 6 11.174 5.075 -1.866 1.00 0.00 C ATOM 80 C GLN A 6 11.462 3.943 -0.882 1.00 0.00 C ATOM 81 O GLN A 6 12.118 4.133 0.123 1.00 0.00 O ATOM 82 CB GLN A 6 9.662 5.236 -2.035 1.00 0.00 C ATOM 83 CG GLN A 6 9.376 6.344 -3.048 1.00 0.00 C ATOM 84 CD GLN A 6 7.874 6.404 -3.331 1.00 0.00 C ATOM 85 OE1 GLN A 6 7.249 5.390 -3.578 1.00 0.00 O ATOM 86 NE2 GLN A 6 7.261 7.556 -3.306 1.00 0.00 N ATOM 0 H GLN A 6 11.156 4.353 -3.874 1.00 0.00 H new ATOM 0 HA GLN A 6 11.593 6.007 -1.486 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.221 4.298 -2.373 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.202 5.478 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.722 7.303 -2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.923 6.156 -3.972 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.783 8.407 -3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.260 7.605 -3.493 1.00 0.00 H new HETATM 95 N CGU A 7 10.989 2.760 -1.167 1.00 0.00 N HETATM 96 CA CGU A 7 11.253 1.620 -0.249 1.00 0.00 C HETATM 97 C CGU A 7 12.765 1.407 -0.153 1.00 0.00 C HETATM 98 O CGU A 7 13.262 0.812 0.780 1.00 0.00 O HETATM 99 CB CGU A 7 10.591 0.353 -0.796 1.00 0.00 C HETATM 100 CG CGU A 7 9.070 0.478 -0.679 1.00 0.00 C HETATM 101 CD1 CGU A 7 8.422 -0.889 -0.908 1.00 0.00 C HETATM 102 CD2 CGU A 7 8.551 1.451 -1.740 1.00 0.00 C HETATM 103 OE11 CGU A 7 8.886 -1.605 -1.781 1.00 0.00 O HETATM 104 OE12 CGU A 7 7.471 -1.197 -0.209 1.00 0.00 O HETATM 105 OE21 CGU A 7 8.097 2.520 -1.364 1.00 0.00 O HETATM 106 OE22 CGU A 7 8.616 1.111 -2.909 1.00 0.00 O HETATM 0 HG CGU A 7 8.820 0.845 0.316 1.00 0.00 H new HETATM 0 HB3 CGU A 7 10.875 0.203 -1.838 1.00 0.00 H new HETATM 0 HB2 CGU A 7 10.938 -0.519 -0.242 1.00 0.00 H new HETATM 0 HA CGU A 7 10.844 1.837 0.738 1.00 0.00 H new ATOM 112 N ASN A 8 13.496 1.894 -1.119 1.00 0.00 N ATOM 113 CA ASN A 8 14.977 1.728 -1.097 1.00 0.00 C ATOM 114 C ASN A 8 15.518 2.134 0.276 1.00 0.00 C ATOM 115 O ASN A 8 16.224 1.386 0.919 1.00 0.00 O ATOM 116 CB ASN A 8 15.603 2.617 -2.186 1.00 0.00 C ATOM 117 CG ASN A 8 16.912 3.235 -1.679 1.00 0.00 C ATOM 118 OD1 ASN A 8 17.716 2.517 -0.943 1.00 0.00 O flip ATOM 119 ND2 ASN A 8 17.205 4.382 -1.957 1.00 0.00 N flip ATOM 0 H ASN A 8 13.130 2.401 -1.925 1.00 0.00 H new ATOM 0 HA ASN A 8 15.232 0.686 -1.288 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.794 2.026 -3.082 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.905 3.406 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 8 16.577 4.944 -2.532 1.00 0.00 H new ATOM 0 HD22 ASN A 8 18.079 4.782 -1.615 1.00 0.00 H new ATOM 126 N GLN A 9 15.213 3.322 0.715 1.00 0.00 N ATOM 127 CA GLN A 9 15.733 3.787 2.032 1.00 0.00 C ATOM 128 C GLN A 9 15.567 2.695 3.094 1.00 0.00 C ATOM 129 O GLN A 9 16.478 2.408 3.843 1.00 0.00 O ATOM 130 CB GLN A 9 14.971 5.037 2.472 1.00 0.00 C ATOM 131 CG GLN A 9 15.669 5.657 3.688 1.00 0.00 C ATOM 132 CD GLN A 9 14.674 6.521 4.467 1.00 0.00 C ATOM 133 OE1 GLN A 9 13.965 7.321 3.890 1.00 0.00 O ATOM 134 NE2 GLN A 9 14.592 6.392 5.763 1.00 0.00 N ATOM 0 H GLN A 9 14.626 3.992 0.219 1.00 0.00 H new ATOM 0 HA GLN A 9 16.793 4.017 1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 9 14.930 5.758 1.655 1.00 0.00 H new ATOM 0 HB3 GLN A 9 13.942 4.780 2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 9 16.066 4.872 4.332 1.00 0.00 H new ATOM 0 HG3 GLN A 9 16.516 6.262 3.364 1.00 0.00 H new ATOM 0 HE21 GLN A 9 15.187 5.720 6.247 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.932 6.963 6.292 1.00 0.00 H new HETATM 143 N CGU A 10 14.412 2.099 3.184 1.00 0.00 N HETATM 144 CA CGU A 10 14.200 1.045 4.219 1.00 0.00 C HETATM 145 C CGU A 10 14.596 -0.329 3.670 1.00 0.00 C HETATM 146 O CGU A 10 14.874 -1.246 4.415 1.00 0.00 O HETATM 147 CB CGU A 10 12.721 1.032 4.624 1.00 0.00 C HETATM 148 CG CGU A 10 12.471 -0.078 5.656 1.00 0.00 C HETATM 149 CD1 CGU A 10 11.294 0.310 6.556 1.00 0.00 C HETATM 150 CD2 CGU A 10 12.126 -1.391 4.945 1.00 0.00 C HETATM 151 OE11 CGU A 10 11.363 1.365 7.165 1.00 0.00 O HETATM 152 OE12 CGU A 10 10.345 -0.453 6.619 1.00 0.00 O HETATM 153 OE21 CGU A 10 11.749 -2.328 5.628 1.00 0.00 O HETATM 154 OE22 CGU A 10 12.246 -1.437 3.732 1.00 0.00 O HETATM 0 HG CGU A 10 13.374 -0.208 6.252 1.00 0.00 H new HETATM 0 HB3 CGU A 10 12.441 1.999 5.042 1.00 0.00 H new HETATM 0 HB2 CGU A 10 12.096 0.871 3.746 1.00 0.00 H new HETATM 0 HA CGU A 10 14.821 1.265 5.087 1.00 0.00 H new ATOM 160 N LEU A 11 14.610 -0.486 2.376 1.00 0.00 N ATOM 161 CA LEU A 11 14.973 -1.809 1.788 1.00 0.00 C ATOM 162 C LEU A 11 16.495 -1.941 1.634 1.00 0.00 C ATOM 163 O LEU A 11 17.014 -3.032 1.520 1.00 0.00 O ATOM 164 CB LEU A 11 14.305 -1.951 0.416 1.00 0.00 C ATOM 165 CG LEU A 11 14.469 -3.384 -0.106 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.698 -4.364 0.791 1.00 0.00 C ATOM 167 CD2 LEU A 11 13.923 -3.463 -1.535 1.00 0.00 C ATOM 0 H LEU A 11 14.386 0.243 1.699 1.00 0.00 H new ATOM 0 HA LEU A 11 14.626 -2.596 2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.246 -1.702 0.491 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.749 -1.247 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 11 15.526 -3.652 -0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.821 -5.378 0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.085 -4.308 1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.640 -4.102 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.037 -4.479 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.867 -3.191 -1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.476 -2.775 -2.174 1.00 0.00 H new ATOM 179 N ILE A 12 17.215 -0.850 1.602 1.00 0.00 N ATOM 180 CA ILE A 12 18.693 -0.939 1.424 1.00 0.00 C ATOM 181 C ILE A 12 19.389 -1.278 2.741 1.00 0.00 C ATOM 182 O ILE A 12 20.311 -2.068 2.780 1.00 0.00 O ATOM 183 CB ILE A 12 19.199 0.408 0.924 1.00 0.00 C ATOM 184 CG1 ILE A 12 20.718 0.370 0.791 1.00 0.00 C ATOM 185 CG2 ILE A 12 18.807 1.512 1.917 1.00 0.00 C ATOM 186 CD1 ILE A 12 21.172 1.647 0.094 1.00 0.00 C ATOM 0 H ILE A 12 16.844 0.096 1.691 1.00 0.00 H new ATOM 0 HA ILE A 12 18.916 -1.730 0.708 1.00 0.00 H new ATOM 0 HB ILE A 12 18.752 0.616 -0.048 1.00 0.00 H new ATOM 0 HG12 ILE A 12 21.183 0.288 1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.027 -0.505 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 12 19.171 2.473 1.555 1.00 0.00 H new ATOM 0 HG22 ILE A 12 17.722 1.548 2.012 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.249 1.300 2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 12 22.257 1.638 -0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.713 1.706 -0.893 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.871 2.511 0.686 1.00 0.00 H new ATOM 198 N ARG A 13 18.977 -0.677 3.816 1.00 0.00 N ATOM 199 CA ARG A 13 19.639 -0.960 5.120 1.00 0.00 C ATOM 200 C ARG A 13 19.099 -2.275 5.689 1.00 0.00 C ATOM 201 O ARG A 13 19.848 -3.134 6.113 1.00 0.00 O ATOM 202 CB ARG A 13 19.356 0.192 6.093 1.00 0.00 C ATOM 203 CG ARG A 13 18.115 0.962 5.629 1.00 0.00 C ATOM 204 CD ARG A 13 17.553 1.776 6.796 1.00 0.00 C ATOM 205 NE ARG A 13 18.676 2.346 7.593 1.00 0.00 N ATOM 206 CZ ARG A 13 18.465 2.773 8.808 1.00 0.00 C ATOM 207 NH1 ARG A 13 17.245 2.888 9.257 1.00 0.00 N ATOM 208 NH2 ARG A 13 19.474 3.085 9.574 1.00 0.00 N ATOM 0 H ARG A 13 18.212 -0.003 3.852 1.00 0.00 H new ATOM 0 HA ARG A 13 20.716 -1.050 4.977 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.200 -0.198 7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.215 0.861 6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.373 1.623 4.801 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.360 0.268 5.259 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.916 2.577 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.930 1.143 7.428 1.00 0.00 H new ATOM 0 HE ARG A 13 19.611 2.402 7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 13 16.456 2.644 8.658 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.080 3.222 10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.428 2.995 9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.309 3.419 10.524 1.00 0.00 H new HETATM 222 N CGU A 14 17.807 -2.438 5.702 1.00 0.00 N HETATM 223 CA CGU A 14 17.216 -3.694 6.244 1.00 0.00 C HETATM 224 C CGU A 14 17.961 -4.912 5.685 1.00 0.00 C HETATM 225 O CGU A 14 18.162 -5.891 6.375 1.00 0.00 O HETATM 226 CB CGU A 14 15.739 -3.768 5.844 1.00 0.00 C HETATM 227 CG CGU A 14 14.894 -2.890 6.783 1.00 0.00 C HETATM 228 CD1 CGU A 14 14.498 -3.693 8.025 1.00 0.00 C HETATM 229 CD2 CGU A 14 15.695 -1.663 7.229 1.00 0.00 C HETATM 230 OE11 CGU A 14 14.060 -4.820 7.863 1.00 0.00 O HETATM 231 OE12 CGU A 14 14.640 -3.165 9.116 1.00 0.00 O HETATM 232 OE21 CGU A 14 16.358 -1.751 8.249 1.00 0.00 O HETATM 233 OE22 CGU A 14 15.631 -0.655 6.545 1.00 0.00 O HETATM 0 HN2 CGU A 14 17.424 -1.534 5.977 1.00 0.00 H new HETATM 0 HG CGU A 14 14.003 -2.568 6.244 1.00 0.00 H new HETATM 0 HB3 CGU A 14 15.616 -3.435 4.813 1.00 0.00 H new HETATM 0 HB2 CGU A 14 15.393 -4.801 5.889 1.00 0.00 H new HETATM 0 HA CGU A 14 17.306 -3.694 7.330 1.00 0.00 H new ATOM 239 N LYS A 15 18.370 -4.870 4.443 1.00 0.00 N ATOM 240 CA LYS A 15 19.094 -6.043 3.870 1.00 0.00 C ATOM 241 C LYS A 15 20.513 -6.103 4.441 1.00 0.00 C ATOM 242 O LYS A 15 21.127 -7.149 4.493 1.00 0.00 O ATOM 243 CB LYS A 15 19.160 -5.922 2.344 1.00 0.00 C ATOM 244 CG LYS A 15 19.772 -4.575 1.957 1.00 0.00 C ATOM 245 CD LYS A 15 20.168 -4.595 0.474 1.00 0.00 C ATOM 246 CE LYS A 15 21.583 -5.159 0.321 1.00 0.00 C ATOM 247 NZ LYS A 15 21.991 -5.090 -1.110 1.00 0.00 N ATOM 0 H LYS A 15 18.236 -4.084 3.807 1.00 0.00 H new ATOM 0 HA LYS A 15 18.558 -6.955 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.757 -6.735 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 15 18.160 -6.013 1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 15 19.057 -3.773 2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 15 20.647 -4.371 2.574 1.00 0.00 H new ATOM 0 HD2 LYS A 15 19.462 -5.202 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 15 20.122 -3.587 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.281 -4.592 0.937 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.615 -6.191 0.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 22.952 -5.473 -1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 21.330 -5.649 -1.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 21.976 -4.100 -1.428 1.00 0.00 H new ATOM 261 N SER A 16 21.039 -4.988 4.872 1.00 0.00 N ATOM 262 CA SER A 16 22.417 -4.986 5.439 1.00 0.00 C ATOM 263 C SER A 16 22.471 -5.921 6.650 1.00 0.00 C ATOM 264 O SER A 16 23.464 -6.579 6.894 1.00 0.00 O ATOM 265 CB SER A 16 22.788 -3.568 5.873 1.00 0.00 C ATOM 266 OG SER A 16 24.186 -3.507 6.126 1.00 0.00 O ATOM 0 H SER A 16 20.574 -4.080 4.856 1.00 0.00 H new ATOM 0 HA SER A 16 23.122 -5.330 4.682 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.516 -2.854 5.096 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.232 -3.292 6.769 1.00 0.00 H new ATOM 0 HG SER A 16 24.429 -2.599 6.403 1.00 0.00 H new ATOM 272 N ASN A 17 21.413 -5.983 7.412 1.00 0.00 N ATOM 273 CA ASN A 17 21.406 -6.874 8.607 1.00 0.00 C ATOM 274 C ASN A 17 21.198 -8.323 8.162 1.00 0.00 C ATOM 275 O ASN A 17 22.064 -9.158 8.330 1.00 0.00 O ATOM 276 CB ASN A 17 20.271 -6.459 9.546 1.00 0.00 C ATOM 277 CG ASN A 17 20.260 -4.936 9.691 1.00 0.00 C ATOM 278 OD1 ASN A 17 19.658 -4.212 8.787 1.00 0.00 O flip ATOM 279 ND2 ASN A 17 20.804 -4.400 10.636 1.00 0.00 N flip ATOM 0 H ASN A 17 20.554 -5.455 7.259 1.00 0.00 H new ATOM 0 HA ASN A 17 22.359 -6.789 9.130 1.00 0.00 H new ATOM 0 HB2 ASN A 17 19.315 -6.804 9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.402 -6.927 10.522 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.274 -4.966 11.342 1.00 0.00 H new ATOM 0 HD22 ASN A 17 20.790 -3.384 10.723 1.00 0.00 H new HETATM 286 N NH2 A 18 20.070 -8.661 7.598 1.00 0.00 N TER 289 NH2 A 18