USER MOD reduce.3.24.130724 H: found=0, std=0, add=124, 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -2.18! C(o=-6.1!,f=-2.2!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= -1.09 (180deg=-1.73) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -2.82 K(o=-2.8,f=-5.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.490 2.809 -11.689 1.00 0.00 N ATOM 2 CA GLY A 1 9.398 2.140 -10.360 1.00 0.00 C ATOM 3 C GLY A 1 9.714 3.153 -9.258 1.00 0.00 C ATOM 4 O GLY A 1 10.595 2.948 -8.447 1.00 0.00 O ATOM 0 H1 GLY A 1 9.275 2.122 -12.439 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.807 3.592 -11.731 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.452 3.181 -11.825 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.399 1.729 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.096 1.304 -10.312 1.00 0.00 H new ATOM 10 N GLU A 2 9.000 4.245 -9.222 1.00 0.00 N ATOM 11 CA GLU A 2 9.259 5.271 -8.173 1.00 0.00 C ATOM 12 C GLU A 2 9.117 4.629 -6.790 1.00 0.00 C ATOM 13 O GLU A 2 9.574 5.159 -5.798 1.00 0.00 O ATOM 14 CB GLU A 2 8.247 6.416 -8.321 1.00 0.00 C ATOM 15 CG GLU A 2 8.932 7.757 -8.042 1.00 0.00 C ATOM 16 CD GLU A 2 9.831 8.126 -9.222 1.00 0.00 C ATOM 17 OE1 GLU A 2 10.041 7.276 -10.071 1.00 0.00 O ATOM 18 OE2 GLU A 2 10.295 9.254 -9.258 1.00 0.00 O ATOM 0 H GLU A 2 8.249 4.471 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 2 10.269 5.666 -8.285 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.828 6.414 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.417 6.271 -7.629 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.184 8.534 -7.884 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.522 7.693 -7.128 1.00 0.00 H new HETATM 25 N CGU A 3 8.487 3.488 -6.720 1.00 0.00 N HETATM 26 CA CGU A 3 8.314 2.811 -5.404 1.00 0.00 C HETATM 27 C CGU A 3 9.660 2.249 -4.938 1.00 0.00 C HETATM 28 O CGU A 3 9.954 2.216 -3.760 1.00 0.00 O HETATM 29 CB CGU A 3 7.307 1.669 -5.550 1.00 0.00 C HETATM 30 CG CGU A 3 6.898 1.164 -4.165 1.00 0.00 C HETATM 31 CD1 CGU A 3 5.945 2.167 -3.514 1.00 0.00 C HETATM 32 CD2 CGU A 3 6.180 -0.180 -4.300 1.00 0.00 C HETATM 33 OE11 CGU A 3 4.794 2.206 -3.914 1.00 0.00 O HETATM 34 OE12 CGU A 3 6.383 2.881 -2.626 1.00 0.00 O HETATM 35 OE21 CGU A 3 6.824 -1.135 -4.704 1.00 0.00 O HETATM 36 OE22 CGU A 3 5.000 -0.232 -3.997 1.00 0.00 O HETATM 0 HG CGU A 3 7.791 1.048 -3.551 1.00 0.00 H new HETATM 0 HB3 CGU A 3 6.429 2.013 -6.097 1.00 0.00 H new HETATM 0 HB2 CGU A 3 7.745 0.856 -6.130 1.00 0.00 H new HETATM 0 HA CGU A 3 7.947 3.529 -4.670 1.00 0.00 H new HETATM 42 N CGU A 4 10.478 1.807 -5.852 1.00 0.00 N HETATM 43 CA CGU A 4 11.800 1.250 -5.463 1.00 0.00 C HETATM 44 C CGU A 4 12.665 2.365 -4.871 1.00 0.00 C HETATM 45 O CGU A 4 13.471 2.138 -3.990 1.00 0.00 O HETATM 46 CB CGU A 4 12.484 0.671 -6.700 1.00 0.00 C HETATM 47 CG CGU A 4 11.843 -0.671 -7.056 1.00 0.00 C HETATM 48 CD1 CGU A 4 10.333 -0.489 -7.222 1.00 0.00 C HETATM 49 CD2 CGU A 4 12.422 -1.184 -8.376 1.00 0.00 C HETATM 50 OE11 CGU A 4 9.596 -1.125 -6.486 1.00 0.00 O HETATM 51 OE12 CGU A 4 9.939 0.284 -8.079 1.00 0.00 O HETATM 52 OE21 CGU A 4 13.593 -1.526 -8.393 1.00 0.00 O HETATM 53 OE22 CGU A 4 11.685 -1.227 -9.348 1.00 0.00 O HETATM 0 HG CGU A 4 12.048 -1.385 -6.258 1.00 0.00 H new HETATM 0 HB3 CGU A 4 12.392 1.363 -7.537 1.00 0.00 H new HETATM 0 HB2 CGU A 4 13.549 0.539 -6.511 1.00 0.00 H new HETATM 0 HA CGU A 4 11.666 0.464 -4.720 1.00 0.00 H new ATOM 59 N LEU A 5 12.504 3.569 -5.347 1.00 0.00 N ATOM 60 CA LEU A 5 13.313 4.696 -4.811 1.00 0.00 C ATOM 61 C LEU A 5 12.873 4.999 -3.377 1.00 0.00 C ATOM 62 O LEU A 5 13.666 5.388 -2.543 1.00 0.00 O ATOM 63 CB LEU A 5 13.093 5.934 -5.685 1.00 0.00 C ATOM 64 CG LEU A 5 13.906 5.815 -6.979 1.00 0.00 C ATOM 65 CD1 LEU A 5 15.409 5.865 -6.670 1.00 0.00 C ATOM 66 CD2 LEU A 5 13.565 4.491 -7.673 1.00 0.00 C ATOM 0 H LEU A 5 11.846 3.820 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 5 14.369 4.427 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 5 12.034 6.040 -5.920 1.00 0.00 H new ATOM 0 HB3 LEU A 5 13.390 6.831 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 5 13.656 6.649 -7.635 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.974 5.779 -7.598 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.649 6.811 -6.185 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.672 5.040 -6.008 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.142 4.404 -8.594 1.00 0.00 H new ATOM 0 HD22 LEU A 5 13.809 3.660 -7.011 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.501 4.467 -7.908 1.00 0.00 H new ATOM 78 N GLN A 6 11.612 4.825 -3.084 1.00 0.00 N ATOM 79 CA GLN A 6 11.121 5.105 -1.705 1.00 0.00 C ATOM 80 C GLN A 6 11.400 3.898 -0.806 1.00 0.00 C ATOM 81 O GLN A 6 11.701 4.040 0.363 1.00 0.00 O ATOM 82 CB GLN A 6 9.614 5.375 -1.743 1.00 0.00 C ATOM 83 CG GLN A 6 9.143 5.845 -0.365 1.00 0.00 C ATOM 84 CD GLN A 6 7.682 6.291 -0.449 1.00 0.00 C ATOM 85 OE1 GLN A 6 7.322 7.332 0.065 1.00 0.00 O ATOM 86 NE2 GLN A 6 6.819 5.543 -1.078 1.00 0.00 N ATOM 0 H GLN A 6 10.901 4.501 -3.740 1.00 0.00 H new ATOM 0 HA GLN A 6 11.637 5.979 -1.309 1.00 0.00 H new ATOM 0 HB2 GLN A 6 9.389 6.133 -2.494 1.00 0.00 H new ATOM 0 HB3 GLN A 6 9.079 4.470 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 6 9.247 5.039 0.361 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.766 6.669 -0.018 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.120 4.669 -1.510 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.843 5.832 -1.139 1.00 0.00 H new HETATM 95 N CGU A 7 11.300 2.711 -1.340 1.00 0.00 N HETATM 96 CA CGU A 7 11.557 1.499 -0.512 1.00 0.00 C HETATM 97 C CGU A 7 13.064 1.319 -0.322 1.00 0.00 C HETATM 98 O CGU A 7 13.519 0.884 0.717 1.00 0.00 O HETATM 99 CB CGU A 7 10.988 0.265 -1.216 1.00 0.00 C HETATM 100 CG CGU A 7 9.466 0.243 -1.063 1.00 0.00 C HETATM 101 CD1 CGU A 7 9.100 -0.153 0.369 1.00 0.00 C HETATM 102 CD2 CGU A 7 8.867 -0.786 -2.024 1.00 0.00 C HETATM 103 OE11 CGU A 7 8.590 0.694 1.084 1.00 0.00 O HETATM 104 OE12 CGU A 7 9.336 -1.295 0.726 1.00 0.00 O HETATM 105 OE21 CGU A 7 7.886 -1.412 -1.655 1.00 0.00 O HETATM 106 OE22 CGU A 7 9.399 -0.931 -3.113 1.00 0.00 O HETATM 0 HG CGU A 7 9.072 1.234 -1.288 1.00 0.00 H new HETATM 0 HB3 CGU A 7 11.257 0.280 -2.272 1.00 0.00 H new HETATM 0 HB2 CGU A 7 11.420 -0.641 -0.790 1.00 0.00 H new HETATM 0 HA CGU A 7 11.077 1.620 0.459 1.00 0.00 H new ATOM 112 N ASN A 8 13.842 1.645 -1.317 1.00 0.00 N ATOM 113 CA ASN A 8 15.318 1.484 -1.190 1.00 0.00 C ATOM 114 C ASN A 8 15.791 2.051 0.148 1.00 0.00 C ATOM 115 O ASN A 8 16.639 1.483 0.804 1.00 0.00 O ATOM 116 CB ASN A 8 16.026 2.234 -2.321 1.00 0.00 C ATOM 117 CG ASN A 8 17.534 2.267 -2.040 1.00 0.00 C ATOM 118 OD1 ASN A 8 17.971 2.853 -0.955 1.00 0.00 O flip ATOM 119 ND2 ASN A 8 18.319 1.755 -2.812 1.00 0.00 N flip ATOM 0 H ASN A 8 13.520 2.015 -2.211 1.00 0.00 H new ATOM 0 HA ASN A 8 15.557 0.422 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.833 1.744 -3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.637 3.249 -2.400 1.00 0.00 H new ATOM 0 HD21 ASN A 8 17.978 1.298 -3.658 1.00 0.00 H new ATOM 0 HD22 ASN A 8 19.319 1.782 -2.615 1.00 0.00 H new ATOM 126 N GLN A 9 15.276 3.180 0.543 1.00 0.00 N ATOM 127 CA GLN A 9 15.732 3.793 1.821 1.00 0.00 C ATOM 128 C GLN A 9 15.780 2.748 2.932 1.00 0.00 C ATOM 129 O GLN A 9 16.816 2.513 3.515 1.00 0.00 O ATOM 130 CB GLN A 9 14.781 4.920 2.226 1.00 0.00 C ATOM 131 CG GLN A 9 15.382 5.691 3.406 1.00 0.00 C ATOM 132 CD GLN A 9 14.261 6.333 4.228 1.00 0.00 C ATOM 133 OE1 GLN A 9 13.875 7.455 3.976 1.00 0.00 O ATOM 134 NE2 GLN A 9 13.722 5.662 5.209 1.00 0.00 N ATOM 0 H GLN A 9 14.561 3.704 0.038 1.00 0.00 H new ATOM 0 HA GLN A 9 16.734 4.195 1.671 1.00 0.00 H new ATOM 0 HB2 GLN A 9 14.616 5.592 1.384 1.00 0.00 H new ATOM 0 HB3 GLN A 9 13.809 4.510 2.502 1.00 0.00 H new ATOM 0 HG2 GLN A 9 15.966 5.017 4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 9 16.064 6.459 3.041 1.00 0.00 H new ATOM 0 HE21 GLN A 9 14.047 4.719 5.421 1.00 0.00 H new ATOM 0 HE22 GLN A 9 12.976 6.081 5.764 1.00 0.00 H new HETATM 143 N CGU A 10 14.683 2.122 3.246 1.00 0.00 N HETATM 144 CA CGU A 10 14.716 1.103 4.329 1.00 0.00 C HETATM 145 C CGU A 10 15.037 -0.263 3.728 1.00 0.00 C HETATM 146 O CGU A 10 15.522 -1.145 4.401 1.00 0.00 O HETATM 147 CB CGU A 10 13.371 1.054 5.054 1.00 0.00 C HETATM 148 CG CGU A 10 12.291 0.472 4.137 1.00 0.00 C HETATM 149 CD1 CGU A 10 12.314 -1.056 4.184 1.00 0.00 C HETATM 150 CD2 CGU A 10 10.918 0.936 4.623 1.00 0.00 C HETATM 151 OE11 CGU A 10 12.858 -1.648 3.269 1.00 0.00 O HETATM 152 OE12 CGU A 10 11.775 -1.609 5.127 1.00 0.00 O HETATM 153 OE21 CGU A 10 10.778 1.145 5.819 1.00 0.00 O HETATM 154 OE22 CGU A 10 10.031 1.065 3.800 1.00 0.00 O HETATM 0 HG CGU A 10 12.482 0.811 3.119 1.00 0.00 H new HETATM 0 HB3 CGU A 10 13.458 0.447 5.955 1.00 0.00 H new HETATM 0 HB2 CGU A 10 13.085 2.057 5.372 1.00 0.00 H new HETATM 0 HA CGU A 10 15.487 1.373 5.051 1.00 0.00 H new ATOM 160 N LEU A 11 14.770 -0.445 2.465 1.00 0.00 N ATOM 161 CA LEU A 11 15.061 -1.761 1.831 1.00 0.00 C ATOM 162 C LEU A 11 16.569 -1.915 1.620 1.00 0.00 C ATOM 163 O LEU A 11 17.072 -3.017 1.527 1.00 0.00 O ATOM 164 CB LEU A 11 14.336 -1.863 0.487 1.00 0.00 C ATOM 165 CG LEU A 11 14.270 -3.328 0.041 1.00 0.00 C ATOM 166 CD1 LEU A 11 13.143 -4.056 0.786 1.00 0.00 C ATOM 167 CD2 LEU A 11 14.003 -3.391 -1.465 1.00 0.00 C ATOM 0 H LEU A 11 14.365 0.257 1.846 1.00 0.00 H new ATOM 0 HA LEU A 11 14.709 -2.557 2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.329 -1.455 0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 11 14.857 -1.268 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 11 15.220 -3.811 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 11 13.105 -5.096 0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.332 -4.017 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.191 -3.573 0.567 1.00 0.00 H new ATOM 0 HD21 LEU A 11 13.956 -4.433 -1.783 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.055 -2.901 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 11 14.807 -2.885 -1.999 1.00 0.00 H new ATOM 179 N ILE A 12 17.305 -0.835 1.550 1.00 0.00 N ATOM 180 CA ILE A 12 18.770 -0.969 1.352 1.00 0.00 C ATOM 181 C ILE A 12 19.419 -1.355 2.677 1.00 0.00 C ATOM 182 O ILE A 12 20.260 -2.231 2.742 1.00 0.00 O ATOM 183 CB ILE A 12 19.328 0.368 0.878 1.00 0.00 C ATOM 184 CG1 ILE A 12 20.841 0.264 0.718 1.00 0.00 C ATOM 185 CG2 ILE A 12 19.006 1.459 1.907 1.00 0.00 C ATOM 186 CD1 ILE A 12 21.352 1.568 0.120 1.00 0.00 C ATOM 0 H ILE A 12 16.956 0.121 1.621 1.00 0.00 H new ATOM 0 HA ILE A 12 18.980 -1.738 0.608 1.00 0.00 H new ATOM 0 HB ILE A 12 18.874 0.623 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 12 21.313 0.079 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 12 21.097 -0.576 0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 12 19.407 2.413 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 12 17.925 1.541 2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 12 19.457 1.200 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 12 22.434 1.513 -0.002 1.00 0.00 H new ATOM 0 HD12 ILE A 12 20.885 1.731 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 12 21.104 2.395 0.785 1.00 0.00 H new ATOM 198 N ARG A 13 19.034 -0.704 3.736 1.00 0.00 N ATOM 199 CA ARG A 13 19.621 -1.020 5.063 1.00 0.00 C ATOM 200 C ARG A 13 18.938 -2.264 5.640 1.00 0.00 C ATOM 201 O ARG A 13 19.593 -3.166 6.121 1.00 0.00 O ATOM 202 CB ARG A 13 19.423 0.177 5.999 1.00 0.00 C ATOM 203 CG ARG A 13 18.247 1.022 5.505 1.00 0.00 C ATOM 204 CD ARG A 13 17.713 1.877 6.656 1.00 0.00 C ATOM 205 NE ARG A 13 18.848 2.325 7.511 1.00 0.00 N ATOM 206 CZ ARG A 13 18.623 3.070 8.558 1.00 0.00 C ATOM 207 NH1 ARG A 13 17.807 2.658 9.490 1.00 0.00 N ATOM 208 NH2 ARG A 13 19.216 4.227 8.673 1.00 0.00 N ATOM 0 H ARG A 13 18.334 0.038 3.739 1.00 0.00 H new ATOM 0 HA ARG A 13 20.688 -1.220 4.960 1.00 0.00 H new ATOM 0 HB2 ARG A 13 19.234 -0.170 7.015 1.00 0.00 H new ATOM 0 HB3 ARG A 13 20.330 0.781 6.032 1.00 0.00 H new ATOM 0 HG2 ARG A 13 18.565 1.661 4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 13 17.457 0.376 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 13 17.177 2.741 6.263 1.00 0.00 H new ATOM 0 HD3 ARG A 13 17.001 1.303 7.249 1.00 0.00 H new ATOM 0 HE ARG A 13 19.802 2.049 7.277 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.345 1.753 9.400 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.632 3.241 10.308 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.854 4.548 7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.041 4.811 9.491 1.00 0.00 H new HETATM 222 N CGU A 14 17.627 -2.331 5.597 1.00 0.00 N HETATM 223 CA CGU A 14 16.937 -3.539 6.147 1.00 0.00 C HETATM 224 C CGU A 14 17.662 -4.796 5.657 1.00 0.00 C HETATM 225 O CGU A 14 17.688 -5.810 6.326 1.00 0.00 O HETATM 226 CB CGU A 14 15.480 -3.580 5.663 1.00 0.00 C HETATM 227 CG CGU A 14 14.580 -2.666 6.522 1.00 0.00 C HETATM 228 CD1 CGU A 14 13.907 -3.489 7.624 1.00 0.00 C HETATM 229 CD2 CGU A 14 15.389 -1.546 7.182 1.00 0.00 C HETATM 230 OE11 CGU A 14 13.360 -4.532 7.306 1.00 0.00 O HETATM 231 OE12 CGU A 14 13.951 -3.062 8.765 1.00 0.00 O HETATM 232 OE21 CGU A 14 15.514 -0.495 6.578 1.00 0.00 O HETATM 233 OE22 CGU A 14 15.854 -1.754 8.290 1.00 0.00 O HETATM 0 HN2 CGU A 14 17.279 -1.399 5.821 1.00 0.00 H new HETATM 0 HG CGU A 14 13.834 -2.224 5.862 1.00 0.00 H new HETATM 0 HB3 CGU A 14 15.432 -3.266 4.620 1.00 0.00 H new HETATM 0 HB2 CGU A 14 15.109 -4.604 5.705 1.00 0.00 H new HETATM 0 HA CGU A 14 16.952 -3.496 7.236 1.00 0.00 H new ATOM 239 N LYS A 15 18.255 -4.738 4.492 1.00 0.00 N ATOM 240 CA LYS A 15 18.977 -5.929 3.967 1.00 0.00 C ATOM 241 C LYS A 15 20.116 -6.294 4.923 1.00 0.00 C ATOM 242 O LYS A 15 20.438 -7.451 5.107 1.00 0.00 O ATOM 243 CB LYS A 15 19.548 -5.601 2.584 1.00 0.00 C ATOM 244 CG LYS A 15 18.458 -5.773 1.524 1.00 0.00 C ATOM 245 CD LYS A 15 18.905 -5.117 0.216 1.00 0.00 C ATOM 246 CE LYS A 15 20.229 -5.732 -0.242 1.00 0.00 C ATOM 247 NZ LYS A 15 20.194 -7.207 -0.028 1.00 0.00 N ATOM 0 H LYS A 15 18.269 -3.918 3.885 1.00 0.00 H new ATOM 0 HA LYS A 15 18.291 -6.772 3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 15 19.926 -4.579 2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 15 20.391 -6.256 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 15 18.259 -6.832 1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.527 -5.323 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 15 18.143 -5.256 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 15 19.022 -4.043 0.358 1.00 0.00 H new ATOM 0 HE2 LYS A 15 20.399 -5.511 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.057 -5.293 0.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 20.866 -7.668 -0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 20.457 -7.421 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 19.235 -7.562 -0.215 1.00 0.00 H new ATOM 261 N SER A 16 20.727 -5.315 5.533 1.00 0.00 N ATOM 262 CA SER A 16 21.843 -5.605 6.478 1.00 0.00 C ATOM 263 C SER A 16 21.270 -5.982 7.845 1.00 0.00 C ATOM 264 O SER A 16 21.945 -6.558 8.675 1.00 0.00 O ATOM 265 CB SER A 16 22.722 -4.362 6.622 1.00 0.00 C ATOM 266 OG SER A 16 23.491 -4.190 5.440 1.00 0.00 O ATOM 0 H SER A 16 20.502 -4.327 5.418 1.00 0.00 H new ATOM 0 HA SER A 16 22.439 -6.432 6.093 1.00 0.00 H new ATOM 0 HB2 SER A 16 22.102 -3.483 6.797 1.00 0.00 H new ATOM 0 HB3 SER A 16 23.379 -4.466 7.485 1.00 0.00 H new ATOM 0 HG SER A 16 24.054 -3.393 5.529 1.00 0.00 H new ATOM 272 N ASN A 17 20.026 -5.659 8.086 1.00 0.00 N ATOM 273 CA ASN A 17 19.406 -5.996 9.401 1.00 0.00 C ATOM 274 C ASN A 17 17.947 -6.403 9.185 1.00 0.00 C ATOM 275 O ASN A 17 17.659 -7.526 8.824 1.00 0.00 O ATOM 276 CB ASN A 17 19.463 -4.773 10.319 1.00 0.00 C ATOM 277 CG ASN A 17 19.049 -3.526 9.534 1.00 0.00 C ATOM 278 OD1 ASN A 17 19.717 -3.133 8.600 1.00 0.00 O ATOM 279 ND2 ASN A 17 17.965 -2.885 9.877 1.00 0.00 N ATOM 0 H ASN A 17 19.413 -5.176 7.429 1.00 0.00 H new ATOM 0 HA ASN A 17 19.950 -6.821 9.860 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.801 -4.915 11.173 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.471 -4.649 10.715 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.679 -2.054 9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.404 -3.216 10.662 1.00 0.00 H new HETATM 286 N NH2 A 18 17.003 -5.526 9.393 1.00 0.00 N TER 289 NH2 A 18