USER MOD reduce.3.24.130724 H: found=0, std=0, add=124, rem=0, adj=1 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 Set 1.1: A 16 SER OG : rot -53:sc= 1.22 USER MOD Set 1.2: A 17 ASN : amide:sc= -1.27 K(o=-0.049,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.33) USER MOD Single : A 8 ASN : amide:sc= -4.27! C(o=-4.3!,f=-2.1!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.289 3.170 -11.425 1.00 0.00 N ATOM 2 CA GLY A 1 10.979 3.115 -10.716 1.00 0.00 C ATOM 3 C GLY A 1 11.024 4.027 -9.489 1.00 0.00 C ATOM 4 O GLY A 1 11.824 3.838 -8.594 1.00 0.00 O ATOM 0 H1 GLY A 1 12.258 2.550 -12.259 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.480 4.147 -11.726 1.00 0.00 H new ATOM 0 H3 GLY A 1 13.044 2.852 -10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.178 3.428 -11.386 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.760 2.091 -10.413 1.00 0.00 H new ATOM 10 N GLU A 2 10.172 5.014 -9.440 1.00 0.00 N ATOM 11 CA GLU A 2 10.167 5.937 -8.271 1.00 0.00 C ATOM 12 C GLU A 2 9.610 5.209 -7.047 1.00 0.00 C ATOM 13 O GLU A 2 9.731 5.670 -5.930 1.00 0.00 O ATOM 14 CB GLU A 2 9.290 7.151 -8.584 1.00 0.00 C ATOM 15 CG GLU A 2 9.814 7.848 -9.841 1.00 0.00 C ATOM 16 CD GLU A 2 9.455 7.017 -11.074 1.00 0.00 C ATOM 17 OE1 GLU A 2 8.353 6.494 -11.110 1.00 0.00 O ATOM 18 OE2 GLU A 2 10.288 6.914 -11.959 1.00 0.00 O ATOM 0 H GLU A 2 9.479 5.221 -10.159 1.00 0.00 H new ATOM 0 HA GLU A 2 11.185 6.267 -8.065 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.257 6.838 -8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 2 9.295 7.844 -7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 2 9.382 8.845 -9.923 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.895 7.973 -9.776 1.00 0.00 H new HETATM 25 N CGU A 3 9.003 4.071 -7.247 1.00 0.00 N HETATM 26 CA CGU A 3 8.442 3.313 -6.092 1.00 0.00 C HETATM 27 C CGU A 3 9.561 2.516 -5.420 1.00 0.00 C HETATM 28 O CGU A 3 9.637 2.431 -4.211 1.00 0.00 O HETATM 29 CB CGU A 3 7.352 2.358 -6.590 1.00 0.00 C HETATM 30 CG CGU A 3 6.903 1.439 -5.447 1.00 0.00 C HETATM 31 CD1 CGU A 3 5.492 0.916 -5.728 1.00 0.00 C HETATM 32 CD2 CGU A 3 7.853 0.243 -5.339 1.00 0.00 C HETATM 33 OE11 CGU A 3 4.565 1.403 -5.100 1.00 0.00 O HETATM 34 OE12 CGU A 3 5.362 0.038 -6.564 1.00 0.00 O HETATM 35 OE21 CGU A 3 8.676 0.245 -4.439 1.00 0.00 O HETATM 36 OE22 CGU A 3 7.741 -0.652 -6.160 1.00 0.00 O HETATM 0 HG CGU A 3 6.912 2.007 -4.517 1.00 0.00 H new HETATM 0 HB3 CGU A 3 6.502 2.927 -6.967 1.00 0.00 H new HETATM 0 HB2 CGU A 3 7.730 1.762 -7.421 1.00 0.00 H new HETATM 0 HA CGU A 3 8.009 4.007 -5.372 1.00 0.00 H new HETATM 42 N CGU A 4 10.436 1.933 -6.197 1.00 0.00 N HETATM 43 CA CGU A 4 11.552 1.147 -5.603 1.00 0.00 C HETATM 44 C CGU A 4 12.524 2.104 -4.906 1.00 0.00 C HETATM 45 O CGU A 4 13.265 1.720 -4.023 1.00 0.00 O HETATM 46 CB CGU A 4 12.286 0.383 -6.715 1.00 0.00 C HETATM 47 CG CGU A 4 11.782 -1.062 -6.772 1.00 0.00 C HETATM 48 CD1 CGU A 4 12.238 -1.818 -5.522 1.00 0.00 C HETATM 49 CD2 CGU A 4 10.253 -1.079 -6.825 1.00 0.00 C HETATM 50 OE11 CGU A 4 13.158 -1.348 -4.872 1.00 0.00 O HETATM 51 OE12 CGU A 4 11.660 -2.854 -5.236 1.00 0.00 O HETATM 52 OE21 CGU A 4 9.672 -2.018 -6.307 1.00 0.00 O HETATM 53 OE22 CGU A 4 9.690 -0.154 -7.385 1.00 0.00 O HETATM 0 HG CGU A 4 12.187 -1.539 -7.664 1.00 0.00 H new HETATM 0 HB3 CGU A 4 12.122 0.873 -7.675 1.00 0.00 H new HETATM 0 HB2 CGU A 4 13.360 0.396 -6.530 1.00 0.00 H new HETATM 0 HA CGU A 4 11.158 0.435 -4.878 1.00 0.00 H new ATOM 59 N LEU A 5 12.527 3.348 -5.300 1.00 0.00 N ATOM 60 CA LEU A 5 13.449 4.331 -4.665 1.00 0.00 C ATOM 61 C LEU A 5 12.927 4.699 -3.274 1.00 0.00 C ATOM 62 O LEU A 5 13.675 5.109 -2.409 1.00 0.00 O ATOM 63 CB LEU A 5 13.524 5.593 -5.533 1.00 0.00 C ATOM 64 CG LEU A 5 14.738 6.436 -5.119 1.00 0.00 C ATOM 65 CD1 LEU A 5 15.979 5.974 -5.890 1.00 0.00 C ATOM 66 CD2 LEU A 5 14.469 7.909 -5.435 1.00 0.00 C ATOM 0 H LEU A 5 11.930 3.726 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 5 14.442 3.891 -4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 5 13.602 5.318 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 5 12.610 6.176 -5.423 1.00 0.00 H new ATOM 0 HG LEU A 5 14.909 6.314 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.837 6.576 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 5 16.176 4.925 -5.667 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.807 6.092 -6.960 1.00 0.00 H new ATOM 0 HD21 LEU A 5 15.331 8.508 -5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 5 14.294 8.026 -6.505 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.590 8.244 -4.885 1.00 0.00 H new ATOM 78 N GLN A 6 11.649 4.554 -3.049 1.00 0.00 N ATOM 79 CA GLN A 6 11.089 4.895 -1.711 1.00 0.00 C ATOM 80 C GLN A 6 11.384 3.756 -0.734 1.00 0.00 C ATOM 81 O GLN A 6 12.082 3.930 0.244 1.00 0.00 O ATOM 82 CB GLN A 6 9.577 5.095 -1.823 1.00 0.00 C ATOM 83 CG GLN A 6 9.287 6.420 -2.531 1.00 0.00 C ATOM 84 CD GLN A 6 9.565 7.582 -1.574 1.00 0.00 C ATOM 85 OE1 GLN A 6 10.614 8.191 -1.631 1.00 0.00 O ATOM 86 NE2 GLN A 6 8.662 7.915 -0.695 1.00 0.00 N ATOM 0 H GLN A 6 10.971 4.215 -3.732 1.00 0.00 H new ATOM 0 HA GLN A 6 11.547 5.815 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.131 4.269 -2.377 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.125 5.094 -0.831 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.908 6.512 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 6 8.249 6.448 -2.862 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.782 7.402 -0.649 1.00 0.00 H new ATOM 0 HE22 GLN A 6 8.836 8.689 -0.053 1.00 0.00 H new HETATM 95 N CGU A 7 10.865 2.587 -0.995 1.00 0.00 N HETATM 96 CA CGU A 7 11.128 1.441 -0.083 1.00 0.00 C HETATM 97 C CGU A 7 12.632 1.174 -0.042 1.00 0.00 C HETATM 98 O CGU A 7 13.142 0.573 0.880 1.00 0.00 O HETATM 99 CB CGU A 7 10.401 0.199 -0.599 1.00 0.00 C HETATM 100 CG CGU A 7 8.902 0.339 -0.332 1.00 0.00 C HETATM 101 CD1 CGU A 7 8.190 -0.963 -0.706 1.00 0.00 C HETATM 102 CD2 CGU A 7 8.332 1.474 -1.184 1.00 0.00 C HETATM 103 OE11 CGU A 7 8.859 -1.980 -0.782 1.00 0.00 O HETATM 104 OE12 CGU A 7 6.988 -0.920 -0.910 1.00 0.00 O HETATM 105 OE21 CGU A 7 7.877 2.449 -0.607 1.00 0.00 O HETATM 106 OE22 CGU A 7 8.363 1.352 -2.397 1.00 0.00 O HETATM 0 HG CGU A 7 8.748 0.556 0.725 1.00 0.00 H new HETATM 0 HB3 CGU A 7 10.581 0.076 -1.667 1.00 0.00 H new HETATM 0 HB2 CGU A 7 10.787 -0.693 -0.106 1.00 0.00 H new HETATM 0 HA CGU A 7 10.768 1.676 0.919 1.00 0.00 H new ATOM 112 N ASN A 8 13.347 1.623 -1.038 1.00 0.00 N ATOM 113 CA ASN A 8 14.819 1.402 -1.060 1.00 0.00 C ATOM 114 C ASN A 8 15.416 1.837 0.279 1.00 0.00 C ATOM 115 O ASN A 8 16.107 1.083 0.933 1.00 0.00 O ATOM 116 CB ASN A 8 15.441 2.231 -2.198 1.00 0.00 C ATOM 117 CG ASN A 8 16.827 2.743 -1.784 1.00 0.00 C ATOM 118 OD1 ASN A 8 17.211 3.842 -2.134 1.00 0.00 O ATOM 119 ND2 ASN A 8 17.597 1.987 -1.049 1.00 0.00 N ATOM 0 H ASN A 8 12.973 2.134 -1.838 1.00 0.00 H new ATOM 0 HA ASN A 8 15.030 0.345 -1.224 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.524 1.622 -3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 8 14.792 3.072 -2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 8 18.520 2.319 -0.769 1.00 0.00 H new ATOM 0 HD22 ASN A 8 17.276 1.065 -0.755 1.00 0.00 H new ATOM 126 N GLN A 9 15.171 3.051 0.679 1.00 0.00 N ATOM 127 CA GLN A 9 15.742 3.547 1.962 1.00 0.00 C ATOM 128 C GLN A 9 15.549 2.514 3.075 1.00 0.00 C ATOM 129 O GLN A 9 16.457 2.230 3.827 1.00 0.00 O ATOM 130 CB GLN A 9 15.047 4.851 2.360 1.00 0.00 C ATOM 131 CG GLN A 9 15.767 5.472 3.567 1.00 0.00 C ATOM 132 CD GLN A 9 14.746 6.142 4.491 1.00 0.00 C ATOM 133 OE1 GLN A 9 14.132 7.124 4.128 1.00 0.00 O ATOM 134 NE2 GLN A 9 14.538 5.645 5.680 1.00 0.00 N ATOM 0 H GLN A 9 14.598 3.725 0.171 1.00 0.00 H new ATOM 0 HA GLN A 9 16.809 3.720 1.823 1.00 0.00 H new ATOM 0 HB2 GLN A 9 15.053 5.548 1.522 1.00 0.00 H new ATOM 0 HB3 GLN A 9 14.003 4.658 2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 9 16.314 4.702 4.111 1.00 0.00 H new ATOM 0 HG3 GLN A 9 16.500 6.204 3.228 1.00 0.00 H new ATOM 0 HE21 GLN A 9 15.054 4.820 5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 9 13.860 6.082 6.304 1.00 0.00 H new HETATM 143 N CGU A 10 14.374 1.968 3.210 1.00 0.00 N HETATM 144 CA CGU A 10 14.141 0.977 4.301 1.00 0.00 C HETATM 145 C CGU A 10 14.469 -0.440 3.818 1.00 0.00 C HETATM 146 O CGU A 10 14.719 -1.326 4.608 1.00 0.00 O HETATM 147 CB CGU A 10 12.674 1.046 4.740 1.00 0.00 C HETATM 148 CG CGU A 10 12.548 0.587 6.195 1.00 0.00 C HETATM 149 CD1 CGU A 10 13.043 1.694 7.127 1.00 0.00 C HETATM 150 CD2 CGU A 10 11.080 0.294 6.515 1.00 0.00 C HETATM 151 OE11 CGU A 10 12.749 2.847 6.856 1.00 0.00 O HETATM 152 OE12 CGU A 10 13.707 1.370 8.098 1.00 0.00 O HETATM 153 OE21 CGU A 10 10.656 -0.827 6.287 1.00 0.00 O HETATM 154 OE22 CGU A 10 10.405 1.196 6.983 1.00 0.00 O HETATM 0 HG CGU A 10 13.146 -0.313 6.338 1.00 0.00 H new HETATM 0 HB3 CGU A 10 12.301 2.065 4.637 1.00 0.00 H new HETATM 0 HB2 CGU A 10 12.062 0.415 4.095 1.00 0.00 H new HETATM 0 HA CGU A 10 14.791 1.216 5.143 1.00 0.00 H new ATOM 160 N LEU A 11 14.459 -0.669 2.534 1.00 0.00 N ATOM 161 CA LEU A 11 14.756 -2.040 2.024 1.00 0.00 C ATOM 162 C LEU A 11 16.270 -2.243 1.887 1.00 0.00 C ATOM 163 O LEU A 11 16.753 -3.358 1.914 1.00 0.00 O ATOM 164 CB LEU A 11 14.085 -2.233 0.660 1.00 0.00 C ATOM 165 CG LEU A 11 14.483 -3.591 0.064 1.00 0.00 C ATOM 166 CD1 LEU A 11 14.139 -4.713 1.049 1.00 0.00 C ATOM 167 CD2 LEU A 11 13.717 -3.811 -1.244 1.00 0.00 C ATOM 0 H LEU A 11 14.259 0.029 1.818 1.00 0.00 H new ATOM 0 HA LEU A 11 14.367 -2.772 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.002 -2.178 0.768 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.379 -1.430 -0.016 1.00 0.00 H new ATOM 0 HG LEU A 11 15.556 -3.600 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.424 -5.674 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 11 14.681 -4.557 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.067 -4.708 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.996 -4.774 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.645 -3.799 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.964 -3.016 -1.948 1.00 0.00 H new ATOM 179 N ILE A 12 17.025 -1.190 1.728 1.00 0.00 N ATOM 180 CA ILE A 12 18.495 -1.353 1.576 1.00 0.00 C ATOM 181 C ILE A 12 19.133 -1.670 2.929 1.00 0.00 C ATOM 182 O ILE A 12 19.834 -2.650 3.083 1.00 0.00 O ATOM 183 CB ILE A 12 19.075 -0.052 1.033 1.00 0.00 C ATOM 184 CG1 ILE A 12 20.588 -0.180 0.905 1.00 0.00 C ATOM 185 CG2 ILE A 12 18.746 1.105 1.984 1.00 0.00 C ATOM 186 CD1 ILE A 12 21.118 1.055 0.188 1.00 0.00 C ATOM 0 H ILE A 12 16.687 -0.228 1.697 1.00 0.00 H new ATOM 0 HA ILE A 12 18.703 -2.174 0.890 1.00 0.00 H new ATOM 0 HB ILE A 12 18.639 0.149 0.054 1.00 0.00 H new ATOM 0 HG12 ILE A 12 21.045 -0.272 1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 12 20.846 -1.081 0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 12 19.164 2.031 1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 12 17.664 1.205 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.175 0.903 2.965 1.00 0.00 H new ATOM 0 HD11 ILE A 12 22.201 0.981 0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.665 1.124 -0.801 1.00 0.00 H new ATOM 0 HD13 ILE A 12 20.868 1.946 0.764 1.00 0.00 H new ATOM 198 N ARG A 13 18.903 -0.842 3.905 1.00 0.00 N ATOM 199 CA ARG A 13 19.501 -1.079 5.247 1.00 0.00 C ATOM 200 C ARG A 13 18.903 -2.348 5.865 1.00 0.00 C ATOM 201 O ARG A 13 19.612 -3.189 6.380 1.00 0.00 O ATOM 202 CB ARG A 13 19.208 0.129 6.146 1.00 0.00 C ATOM 203 CG ARG A 13 18.036 0.926 5.564 1.00 0.00 C ATOM 204 CD ARG A 13 17.421 1.803 6.655 1.00 0.00 C ATOM 205 NE ARG A 13 18.507 2.456 7.440 1.00 0.00 N ATOM 206 CZ ARG A 13 18.273 3.572 8.077 1.00 0.00 C ATOM 207 NH1 ARG A 13 17.456 4.454 7.570 1.00 0.00 N ATOM 208 NH2 ARG A 13 18.857 3.803 9.221 1.00 0.00 N ATOM 0 H ARG A 13 18.323 -0.006 3.832 1.00 0.00 H new ATOM 0 HA ARG A 13 20.579 -1.209 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 13 18.969 -0.205 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.091 0.763 6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.380 1.546 4.736 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.284 0.246 5.163 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.776 2.559 6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.796 1.199 7.312 1.00 0.00 H new ATOM 0 HE ARG A 13 19.433 2.031 7.480 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.000 4.272 6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.273 5.325 8.068 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.495 3.113 9.616 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.675 4.674 9.720 1.00 0.00 H new HETATM 222 N CGU A 14 17.606 -2.490 5.822 1.00 0.00 N HETATM 223 CA CGU A 14 16.968 -3.704 6.413 1.00 0.00 C HETATM 224 C CGU A 14 17.758 -4.954 6.013 1.00 0.00 C HETATM 225 O CGU A 14 18.059 -5.796 6.836 1.00 0.00 O HETATM 226 CB CGU A 14 15.528 -3.828 5.901 1.00 0.00 C HETATM 227 CG CGU A 14 14.602 -2.951 6.748 1.00 0.00 C HETATM 228 CD1 CGU A 14 13.223 -2.876 6.088 1.00 0.00 C HETATM 229 CD2 CGU A 14 14.445 -3.564 8.140 1.00 0.00 C HETATM 230 OE11 CGU A 14 13.134 -3.184 4.911 1.00 0.00 O HETATM 231 OE12 CGU A 14 12.281 -2.510 6.771 1.00 0.00 O HETATM 232 OE21 CGU A 14 13.629 -4.459 8.284 1.00 0.00 O HETATM 233 OE22 CGU A 14 15.144 -3.128 9.040 1.00 0.00 O HETATM 0 HN2 CGU A 14 17.203 -1.568 5.992 1.00 0.00 H new HETATM 0 HG CGU A 14 15.032 -1.953 6.828 1.00 0.00 H new HETATM 0 HB3 CGU A 14 15.476 -3.525 4.855 1.00 0.00 H new HETATM 0 HB2 CGU A 14 15.203 -4.868 5.948 1.00 0.00 H new HETATM 0 HA CGU A 14 16.964 -3.612 7.499 1.00 0.00 H new ATOM 239 N LYS A 15 18.096 -5.088 4.759 1.00 0.00 N ATOM 240 CA LYS A 15 18.863 -6.286 4.323 1.00 0.00 C ATOM 241 C LYS A 15 20.231 -6.292 5.009 1.00 0.00 C ATOM 242 O LYS A 15 20.709 -7.319 5.448 1.00 0.00 O ATOM 243 CB LYS A 15 19.051 -6.241 2.803 1.00 0.00 C ATOM 244 CG LYS A 15 17.730 -6.589 2.095 1.00 0.00 C ATOM 245 CD LYS A 15 18.022 -7.299 0.766 1.00 0.00 C ATOM 246 CE LYS A 15 18.190 -8.802 1.011 1.00 0.00 C ATOM 247 NZ LYS A 15 18.431 -9.493 -0.288 1.00 0.00 N ATOM 0 H LYS A 15 17.874 -4.420 4.020 1.00 0.00 H new ATOM 0 HA LYS A 15 18.318 -7.190 4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.385 -5.249 2.499 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.829 -6.944 2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.122 -7.230 2.734 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.154 -5.681 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.208 -7.124 0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 15 18.927 -6.891 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 15 19.024 -8.980 1.690 1.00 0.00 H new ATOM 0 HE3 LYS A 15 17.298 -9.205 1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.545 -10.513 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.622 -9.333 -0.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.294 -9.115 -0.727 1.00 0.00 H new ATOM 261 N SER A 16 20.862 -5.155 5.107 1.00 0.00 N ATOM 262 CA SER A 16 22.196 -5.099 5.768 1.00 0.00 C ATOM 263 C SER A 16 22.035 -5.371 7.263 1.00 0.00 C ATOM 264 O SER A 16 22.936 -5.860 7.917 1.00 0.00 O ATOM 265 CB SER A 16 22.804 -3.710 5.568 1.00 0.00 C ATOM 266 OG SER A 16 22.246 -2.812 6.518 1.00 0.00 O ATOM 0 H SER A 16 20.512 -4.263 4.758 1.00 0.00 H new ATOM 0 HA SER A 16 22.851 -5.851 5.329 1.00 0.00 H new ATOM 0 HB2 SER A 16 23.887 -3.754 5.685 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.606 -3.356 4.556 1.00 0.00 H new ATOM 0 HG SER A 16 21.268 -2.854 6.472 1.00 0.00 H new ATOM 272 N ASN A 17 20.894 -5.057 7.811 1.00 0.00 N ATOM 273 CA ASN A 17 20.673 -5.295 9.265 1.00 0.00 C ATOM 274 C ASN A 17 20.338 -6.770 9.497 1.00 0.00 C ATOM 275 O ASN A 17 20.438 -7.580 8.597 1.00 0.00 O ATOM 276 CB ASN A 17 19.513 -4.424 9.751 1.00 0.00 C ATOM 277 CG ASN A 17 19.681 -3.003 9.210 1.00 0.00 C ATOM 278 OD1 ASN A 17 18.714 -2.349 8.874 1.00 0.00 O ATOM 279 ND2 ASN A 17 20.879 -2.494 9.112 1.00 0.00 N ATOM 0 H ASN A 17 20.104 -4.645 7.314 1.00 0.00 H new ATOM 0 HA ASN A 17 21.577 -5.039 9.818 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.564 -4.843 9.415 1.00 0.00 H new ATOM 0 HB3 ASN A 17 19.487 -4.409 10.841 1.00 0.00 H new ATOM 0 HD21 ASN A 17 21.003 -1.547 8.753 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.691 -3.043 9.394 1.00 0.00 H new HETATM 286 N NH2 A 18 19.940 -7.156 10.678 1.00 0.00 N TER 289 NH2 A 18