USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 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 Single : A 4 ASN : amide:sc= 0.459 K(o=0.46,f=-0.32) USER MOD Single : A 6 LYS NZ :NH3+ 141:sc= -0.217 (180deg=-1.01) USER MOD Single : A 11 ASN : amide:sc= -6.35! C(o=-6.4!,f=-6.5!) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= -1.09 (180deg=-2.14) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0406 USER MOD Single : A 27 LYS NZ :NH3+ -150:sc= -1 (180deg=-1.58) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 31 GLN :FLIP amide:sc= -0.124 F(o=-0.64,f=-0.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -2.46! C(o=-3.4!,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 50 N ASN A 4 -1.588 -11.052 -10.283 1.00 0.00 N ATOM 51 CA ASN A 4 -2.399 -10.008 -9.660 1.00 0.00 C ATOM 52 C ASN A 4 -2.243 -10.045 -8.141 1.00 0.00 C ATOM 53 O ASN A 4 -3.113 -9.577 -7.403 1.00 0.00 O ATOM 54 CB ASN A 4 -3.876 -10.188 -10.036 1.00 0.00 C ATOM 55 CG ASN A 4 -4.075 -9.983 -11.538 1.00 0.00 C ATOM 56 OD1 ASN A 4 -5.203 -9.793 -11.992 1.00 0.00 O ATOM 57 ND2 ASN A 4 -3.045 -10.011 -12.342 1.00 0.00 N ATOM 0 HA ASN A 4 -2.054 -9.041 -10.025 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.211 -11.186 -9.752 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -4.488 -9.476 -9.482 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.177 -9.875 -13.344 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -2.110 -10.168 -11.967 1.00 0.00 H new ATOM 64 N ALA A 5 -1.126 -10.605 -7.685 1.00 0.00 N ATOM 65 CA ALA A 5 -0.855 -10.706 -6.255 1.00 0.00 C ATOM 66 C ALA A 5 -0.368 -9.370 -5.699 1.00 0.00 C ATOM 67 O ALA A 5 -0.606 -9.051 -4.533 1.00 0.00 O ATOM 68 CB ALA A 5 0.201 -11.788 -6.006 1.00 0.00 C ATOM 0 H ALA A 5 -0.397 -10.994 -8.283 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.780 -10.974 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.402 -11.861 -4.937 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.166 -12.746 -6.373 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.120 -11.527 -6.531 1.00 0.00 H new ATOM 74 N LYS A 6 0.313 -8.593 -6.539 1.00 0.00 N ATOM 75 CA LYS A 6 0.827 -7.293 -6.118 1.00 0.00 C ATOM 76 C LYS A 6 -0.319 -6.312 -5.892 1.00 0.00 C ATOM 77 O LYS A 6 -0.468 -5.763 -4.800 1.00 0.00 O ATOM 78 CB LYS A 6 1.781 -6.737 -7.178 1.00 0.00 C ATOM 79 CG LYS A 6 2.708 -5.699 -6.537 1.00 0.00 C ATOM 80 CD LYS A 6 3.802 -5.303 -7.534 1.00 0.00 C ATOM 81 CE LYS A 6 4.805 -4.364 -6.857 1.00 0.00 C ATOM 82 NZ LYS A 6 5.355 -5.014 -5.633 1.00 0.00 N ATOM 0 H LYS A 6 0.520 -8.839 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 6 1.368 -7.424 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.369 -7.545 -7.614 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.214 -6.282 -7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.136 -4.820 -6.241 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.157 -6.107 -5.632 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.313 -6.193 -7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.358 -4.812 -8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.614 -4.122 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.318 -3.425 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.368 -4.796 -5.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.854 -4.656 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.227 -6.044 -5.700 1.00 0.00 H new ATOM 96 N ILE A 7 -1.130 -6.103 -6.928 1.00 0.00 N ATOM 97 CA ILE A 7 -2.266 -5.192 -6.828 1.00 0.00 C ATOM 98 C ILE A 7 -3.152 -5.584 -5.652 1.00 0.00 C ATOM 99 O ILE A 7 -3.549 -4.736 -4.853 1.00 0.00 O ATOM 100 CB ILE A 7 -3.084 -5.227 -8.124 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.303 -4.524 -9.243 1.00 0.00 C ATOM 102 CG2 ILE A 7 -4.423 -4.512 -7.907 1.00 0.00 C ATOM 103 CD1 ILE A 7 -2.991 -4.775 -10.589 1.00 0.00 C ATOM 0 H ILE A 7 -1.022 -6.549 -7.839 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.890 -4.181 -6.669 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.269 -6.263 -8.406 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.249 -3.453 -9.045 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.278 -4.894 -9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.003 -4.538 -8.829 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.979 -5.013 -7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.240 -3.476 -7.622 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.434 -4.275 -11.381 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.022 -5.846 -10.788 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.008 -4.383 -10.557 1.00 0.00 H new ATOM 115 N ALA A 8 -3.451 -6.877 -5.552 1.00 0.00 N ATOM 116 CA ALA A 8 -4.290 -7.378 -4.469 1.00 0.00 C ATOM 117 C ALA A 8 -3.718 -6.956 -3.119 1.00 0.00 C ATOM 118 O ALA A 8 -4.451 -6.512 -2.237 1.00 0.00 O ATOM 119 CB ALA A 8 -4.378 -8.903 -4.544 1.00 0.00 C ATOM 0 H ALA A 8 -3.127 -7.592 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 8 -5.289 -6.956 -4.574 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.006 -9.272 -3.733 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -4.812 -9.196 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.379 -9.330 -4.453 1.00 0.00 H new ATOM 125 N ARG A 9 -2.403 -7.086 -2.970 1.00 0.00 N ATOM 126 CA ARG A 9 -1.743 -6.700 -1.727 1.00 0.00 C ATOM 127 C ARG A 9 -1.926 -5.204 -1.469 1.00 0.00 C ATOM 128 O ARG A 9 -2.268 -4.789 -0.360 1.00 0.00 O ATOM 129 CB ARG A 9 -0.248 -7.029 -1.809 1.00 0.00 C ATOM 130 CG ARG A 9 0.330 -7.173 -0.397 1.00 0.00 C ATOM 131 CD ARG A 9 1.846 -6.965 -0.444 1.00 0.00 C ATOM 132 NE ARG A 9 2.475 -7.518 0.754 1.00 0.00 N ATOM 133 CZ ARG A 9 2.597 -8.832 0.932 1.00 0.00 C ATOM 134 NH1 ARG A 9 2.139 -9.663 0.034 1.00 0.00 N ATOM 135 NH2 ARG A 9 3.176 -9.290 2.009 1.00 0.00 N ATOM 0 H ARG A 9 -1.778 -7.452 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 9 -2.193 -7.257 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.100 -7.953 -2.369 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.278 -6.241 -2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.128 -6.444 0.271 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.100 -8.160 0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.258 -7.444 -1.332 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.071 -5.901 -0.522 1.00 0.00 H new ATOM 0 HE ARG A 9 2.828 -6.883 1.470 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.686 -9.306 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.234 -10.669 0.174 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.533 -8.642 2.711 1.00 0.00 H new ATOM 0 HH22 ARG A 9 3.271 -10.296 2.148 1.00 0.00 H new ATOM 149 N ILE A 10 -1.679 -4.405 -2.505 1.00 0.00 N ATOM 150 CA ILE A 10 -1.799 -2.951 -2.405 1.00 0.00 C ATOM 151 C ILE A 10 -3.195 -2.521 -1.942 1.00 0.00 C ATOM 152 O ILE A 10 -3.337 -1.896 -0.889 1.00 0.00 O ATOM 153 CB ILE A 10 -1.477 -2.307 -3.761 1.00 0.00 C ATOM 154 CG1 ILE A 10 0.029 -2.437 -4.041 1.00 0.00 C ATOM 155 CG2 ILE A 10 -1.865 -0.824 -3.729 1.00 0.00 C ATOM 156 CD1 ILE A 10 0.334 -2.008 -5.481 1.00 0.00 C ATOM 0 H ILE A 10 -1.394 -4.740 -3.425 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.084 -2.611 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.040 -2.811 -4.547 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.592 -1.819 -3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 10 0.349 -3.467 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.636 -0.367 -4.692 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.932 -0.731 -3.528 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.303 -0.318 -2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.403 -2.103 -5.670 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.216 -2.645 -6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.031 -0.971 -5.623 1.00 0.00 H new ATOM 168 N ASN A 11 -4.217 -2.833 -2.741 1.00 0.00 N ATOM 169 CA ASN A 11 -5.585 -2.443 -2.400 1.00 0.00 C ATOM 170 C ASN A 11 -6.020 -3.031 -1.059 1.00 0.00 C ATOM 171 O ASN A 11 -6.843 -2.440 -0.359 1.00 0.00 O ATOM 172 CB ASN A 11 -6.565 -2.872 -3.503 1.00 0.00 C ATOM 173 CG ASN A 11 -6.373 -4.340 -3.873 1.00 0.00 C ATOM 174 OD1 ASN A 11 -6.046 -4.653 -5.017 1.00 0.00 O ATOM 175 ND2 ASN A 11 -6.575 -5.263 -2.976 1.00 0.00 N ATOM 0 H ASN A 11 -4.126 -3.348 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 11 -5.600 -1.356 -2.315 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -7.589 -2.710 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -6.418 -2.250 -4.386 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -6.462 -6.246 -3.222 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -6.846 -5.002 -2.028 1.00 0.00 H new ATOM 182 N GLU A 12 -5.464 -4.187 -0.698 1.00 0.00 N ATOM 183 CA GLU A 12 -5.812 -4.819 0.573 1.00 0.00 C ATOM 184 C GLU A 12 -5.463 -3.885 1.727 1.00 0.00 C ATOM 185 O GLU A 12 -6.287 -3.632 2.612 1.00 0.00 O ATOM 186 CB GLU A 12 -5.063 -6.150 0.725 1.00 0.00 C ATOM 187 CG GLU A 12 -5.470 -6.831 2.039 1.00 0.00 C ATOM 188 CD GLU A 12 -4.824 -8.215 2.155 1.00 0.00 C ATOM 189 OE1 GLU A 12 -4.172 -8.637 1.212 1.00 0.00 O ATOM 190 OE2 GLU A 12 -4.995 -8.837 3.191 1.00 0.00 O ATOM 0 H GLU A 12 -4.781 -4.698 -1.258 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.884 -5.018 0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.289 -6.803 -0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.987 -5.975 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -5.169 -6.212 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.555 -6.926 2.084 1.00 0.00 H new ATOM 197 N LEU A 13 -4.241 -3.362 1.698 1.00 0.00 N ATOM 198 CA LEU A 13 -3.785 -2.442 2.733 1.00 0.00 C ATOM 199 C LEU A 13 -4.659 -1.193 2.758 1.00 0.00 C ATOM 200 O LEU A 13 -5.174 -0.804 3.808 1.00 0.00 O ATOM 201 CB LEU A 13 -2.333 -2.038 2.465 1.00 0.00 C ATOM 202 CG LEU A 13 -1.390 -2.952 3.251 1.00 0.00 C ATOM 203 CD1 LEU A 13 -0.036 -3.021 2.539 1.00 0.00 C ATOM 204 CD2 LEU A 13 -1.199 -2.389 4.663 1.00 0.00 C ATOM 0 H LEU A 13 -3.552 -3.559 0.972 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.854 -2.944 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -2.117 -2.107 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.175 -0.999 2.756 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.817 -3.953 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.636 -3.672 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -0.173 -3.419 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.394 -2.021 2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.528 -3.038 5.226 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.770 -1.389 4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.163 -2.339 5.168 1.00 0.00 H new ATOM 216 N ALA A 14 -4.816 -0.569 1.594 1.00 0.00 N ATOM 217 CA ALA A 14 -5.625 0.640 1.482 1.00 0.00 C ATOM 218 C ALA A 14 -7.051 0.384 1.961 1.00 0.00 C ATOM 219 O ALA A 14 -7.676 1.256 2.564 1.00 0.00 O ATOM 220 CB ALA A 14 -5.649 1.118 0.030 1.00 0.00 C ATOM 0 H ALA A 14 -4.395 -0.879 0.718 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.179 1.410 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.255 2.021 -0.046 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.633 1.334 -0.299 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.077 0.340 -0.602 1.00 0.00 H new ATOM 226 N ALA A 15 -7.561 -0.817 1.687 1.00 0.00 N ATOM 227 CA ALA A 15 -8.917 -1.175 2.096 1.00 0.00 C ATOM 228 C ALA A 15 -9.056 -1.073 3.609 1.00 0.00 C ATOM 229 O ALA A 15 -10.056 -0.565 4.117 1.00 0.00 O ATOM 230 CB ALA A 15 -9.246 -2.598 1.645 1.00 0.00 C ATOM 0 H ALA A 15 -7.060 -1.552 1.188 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.614 -0.481 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.259 -2.853 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.173 -2.662 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.541 -3.295 2.098 1.00 0.00 H new ATOM 236 N LYS A 16 -8.034 -1.540 4.323 1.00 0.00 N ATOM 237 CA LYS A 16 -8.036 -1.479 5.778 1.00 0.00 C ATOM 238 C LYS A 16 -8.102 -0.024 6.213 1.00 0.00 C ATOM 239 O LYS A 16 -8.966 0.365 6.999 1.00 0.00 O ATOM 240 CB LYS A 16 -6.772 -2.136 6.341 1.00 0.00 C ATOM 241 CG LYS A 16 -7.073 -3.595 6.704 1.00 0.00 C ATOM 242 CD LYS A 16 -5.880 -4.197 7.455 1.00 0.00 C ATOM 243 CE LYS A 16 -4.618 -4.118 6.589 1.00 0.00 C ATOM 244 NZ LYS A 16 -4.941 -4.544 5.197 1.00 0.00 N ATOM 0 H LYS A 16 -7.199 -1.962 3.918 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.903 -2.018 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.968 -2.091 5.606 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.429 -1.594 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.969 -3.649 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.274 -4.171 5.801 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.722 -3.662 8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.089 -5.235 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.228 -3.100 6.588 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.839 -4.757 7.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.063 -4.784 4.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.563 -5.377 5.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.423 -3.768 4.700 1.00 0.00 H new ATOM 258 N ALA A 17 -7.192 0.780 5.667 1.00 0.00 N ATOM 259 CA ALA A 17 -7.163 2.204 5.975 1.00 0.00 C ATOM 260 C ALA A 17 -8.498 2.840 5.600 1.00 0.00 C ATOM 261 O ALA A 17 -8.824 3.939 6.049 1.00 0.00 O ATOM 262 CB ALA A 17 -6.034 2.888 5.197 1.00 0.00 C ATOM 0 H ALA A 17 -6.471 0.471 5.015 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.988 2.330 7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -6.021 3.952 5.434 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -5.079 2.443 5.475 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -6.198 2.757 4.127 1.00 0.00 H new ATOM 268 N LYS A 18 -9.267 2.130 4.772 1.00 0.00 N ATOM 269 CA LYS A 18 -10.571 2.625 4.338 1.00 0.00 C ATOM 270 C LYS A 18 -11.656 2.187 5.320 1.00 0.00 C ATOM 271 O LYS A 18 -12.479 2.994 5.754 1.00 0.00 O ATOM 272 CB LYS A 18 -10.891 2.085 2.937 1.00 0.00 C ATOM 273 CG LYS A 18 -11.668 3.136 2.134 1.00 0.00 C ATOM 274 CD LYS A 18 -13.048 3.356 2.765 1.00 0.00 C ATOM 275 CE LYS A 18 -13.934 4.150 1.803 1.00 0.00 C ATOM 276 NZ LYS A 18 -15.305 4.275 2.377 1.00 0.00 N ATOM 0 H LYS A 18 -9.011 1.219 4.392 1.00 0.00 H new ATOM 0 HA LYS A 18 -10.542 3.714 4.307 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.968 1.828 2.418 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -11.477 1.170 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.114 4.074 2.113 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.779 2.808 1.100 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.511 2.396 2.993 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.946 3.893 3.708 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.508 5.139 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -13.978 3.650 0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.907 4.815 1.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.710 3.328 2.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.255 4.770 3.290 1.00 0.00 H new ATOM 290 N ALA A 19 -11.648 0.903 5.662 1.00 0.00 N ATOM 291 CA ALA A 19 -12.632 0.357 6.588 1.00 0.00 C ATOM 292 C ALA A 19 -12.374 0.848 8.009 1.00 0.00 C ATOM 293 O ALA A 19 -13.289 1.318 8.687 1.00 0.00 O ATOM 294 CB ALA A 19 -12.583 -1.172 6.557 1.00 0.00 C ATOM 0 H ALA A 19 -10.973 0.223 5.313 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.619 0.698 6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.321 -1.574 7.251 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -12.804 -1.523 5.549 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -11.589 -1.510 6.849 1.00 0.00 H new ATOM 300 N GLY A 20 -11.124 0.732 8.457 1.00 0.00 N ATOM 301 CA GLY A 20 -10.768 1.163 9.805 1.00 0.00 C ATOM 302 C GLY A 20 -10.490 2.660 9.852 1.00 0.00 C ATOM 303 O GLY A 20 -11.328 3.438 10.312 1.00 0.00 O ATOM 0 H GLY A 20 -10.351 0.348 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.578 0.920 10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.888 0.617 10.143 1.00 0.00 H new ATOM 307 N VAL A 21 -9.312 3.059 9.374 1.00 0.00 N ATOM 308 CA VAL A 21 -8.932 4.471 9.369 1.00 0.00 C ATOM 309 C VAL A 21 -7.509 4.646 8.839 1.00 0.00 C ATOM 310 O VAL A 21 -7.258 5.541 8.037 1.00 0.00 O ATOM 311 CB VAL A 21 -9.034 5.061 10.788 1.00 0.00 C ATOM 312 CG1 VAL A 21 -8.438 4.085 11.810 1.00 0.00 C ATOM 313 CG2 VAL A 21 -8.275 6.394 10.853 1.00 0.00 C ATOM 0 H VAL A 21 -8.609 2.429 8.988 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.620 5.003 8.712 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.085 5.228 11.023 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.516 4.513 12.810 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.985 3.143 11.775 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.389 3.905 11.573 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.350 6.807 11.859 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.226 6.228 10.607 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.709 7.095 10.140 1.00 0.00 H new ATOM 323 N ILE A 22 -6.604 3.776 9.314 1.00 0.00 N ATOM 324 CA ILE A 22 -5.178 3.778 8.936 1.00 0.00 C ATOM 325 C ILE A 22 -4.307 4.017 10.167 1.00 0.00 C ATOM 326 O ILE A 22 -4.795 4.439 11.215 1.00 0.00 O ATOM 327 CB ILE A 22 -4.843 4.837 7.872 1.00 0.00 C ATOM 328 CG1 ILE A 22 -3.475 4.519 7.257 1.00 0.00 C ATOM 329 CG2 ILE A 22 -4.792 6.235 8.509 1.00 0.00 C ATOM 330 CD1 ILE A 22 -3.373 5.174 5.881 1.00 0.00 C ATOM 0 H ILE A 22 -6.843 3.041 9.980 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.971 2.798 8.505 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.615 4.822 7.103 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.679 4.884 7.906 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.345 3.440 7.169 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.554 6.975 7.745 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.760 6.469 8.951 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.025 6.254 9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.401 4.949 5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.161 4.788 5.235 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.484 6.254 5.983 1.00 0.00 H new ATOM 342 N THR A 23 -3.011 3.748 10.021 1.00 0.00 N ATOM 343 CA THR A 23 -2.059 3.937 11.112 1.00 0.00 C ATOM 344 C THR A 23 -0.746 4.489 10.570 1.00 0.00 C ATOM 345 O THR A 23 -0.402 4.262 9.409 1.00 0.00 O ATOM 346 CB THR A 23 -1.797 2.604 11.817 1.00 0.00 C ATOM 347 OG1 THR A 23 -1.327 1.655 10.869 1.00 0.00 O ATOM 348 CG2 THR A 23 -3.089 2.092 12.456 1.00 0.00 C ATOM 0 H THR A 23 -2.597 3.398 9.157 1.00 0.00 H new ATOM 0 HA THR A 23 -2.482 4.645 11.825 1.00 0.00 H new ATOM 0 HB THR A 23 -1.047 2.748 12.594 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.157 0.801 11.318 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.896 1.143 12.956 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.448 2.820 13.184 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.845 1.948 11.684 1.00 0.00 H new ATOM 356 N GLU A 24 -0.014 5.209 11.419 1.00 0.00 N ATOM 357 CA GLU A 24 1.269 5.785 11.020 1.00 0.00 C ATOM 358 C GLU A 24 2.142 4.729 10.345 1.00 0.00 C ATOM 359 O GLU A 24 2.797 4.999 9.336 1.00 0.00 O ATOM 360 CB GLU A 24 1.997 6.343 12.249 1.00 0.00 C ATOM 361 CG GLU A 24 3.127 7.278 11.798 1.00 0.00 C ATOM 362 CD GLU A 24 2.578 8.660 11.431 1.00 0.00 C ATOM 363 OE1 GLU A 24 1.375 8.855 11.522 1.00 0.00 O ATOM 364 OE2 GLU A 24 3.374 9.507 11.061 1.00 0.00 O ATOM 0 H GLU A 24 -0.285 5.407 12.382 1.00 0.00 H new ATOM 0 HA GLU A 24 1.080 6.592 10.312 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.296 6.884 12.885 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.404 5.526 12.845 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.864 7.375 12.595 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.641 6.846 10.939 1.00 0.00 H new ATOM 371 N GLU A 25 2.138 3.523 10.911 1.00 0.00 N ATOM 372 CA GLU A 25 2.924 2.420 10.366 1.00 0.00 C ATOM 373 C GLU A 25 2.479 2.091 8.942 1.00 0.00 C ATOM 374 O GLU A 25 3.304 1.982 8.033 1.00 0.00 O ATOM 375 CB GLU A 25 2.766 1.177 11.252 1.00 0.00 C ATOM 376 CG GLU A 25 3.072 1.536 12.711 1.00 0.00 C ATOM 377 CD GLU A 25 4.554 1.866 12.868 1.00 0.00 C ATOM 378 OE1 GLU A 25 5.332 0.942 13.045 1.00 0.00 O ATOM 379 OE2 GLU A 25 4.890 3.038 12.806 1.00 0.00 O ATOM 0 H GLU A 25 1.600 3.286 11.745 1.00 0.00 H new ATOM 0 HA GLU A 25 3.971 2.723 10.345 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.752 0.787 11.169 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.439 0.390 10.913 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.467 2.389 13.019 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.805 0.704 13.362 1.00 0.00 H new ATOM 386 N GLU A 26 1.167 1.935 8.758 1.00 0.00 N ATOM 387 CA GLU A 26 0.615 1.619 7.442 1.00 0.00 C ATOM 388 C GLU A 26 0.903 2.745 6.456 1.00 0.00 C ATOM 389 O GLU A 26 1.213 2.498 5.292 1.00 0.00 O ATOM 390 CB GLU A 26 -0.898 1.408 7.545 1.00 0.00 C ATOM 391 CG GLU A 26 -1.191 0.010 8.101 1.00 0.00 C ATOM 392 CD GLU A 26 -2.701 -0.239 8.164 1.00 0.00 C ATOM 393 OE1 GLU A 26 -3.442 0.527 7.566 1.00 0.00 O ATOM 394 OE2 GLU A 26 -3.094 -1.197 8.808 1.00 0.00 O ATOM 0 H GLU A 26 0.472 2.022 9.499 1.00 0.00 H new ATOM 0 HA GLU A 26 1.087 0.704 7.083 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.337 2.166 8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.358 1.523 6.564 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.718 -0.744 7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.759 -0.089 9.097 1.00 0.00 H new ATOM 401 N LYS A 27 0.798 3.982 6.934 1.00 0.00 N ATOM 402 CA LYS A 27 1.045 5.149 6.094 1.00 0.00 C ATOM 403 C LYS A 27 2.397 5.032 5.394 1.00 0.00 C ATOM 404 O LYS A 27 2.490 5.198 4.178 1.00 0.00 O ATOM 405 CB LYS A 27 1.013 6.423 6.947 1.00 0.00 C ATOM 406 CG LYS A 27 0.869 7.652 6.041 1.00 0.00 C ATOM 407 CD LYS A 27 -0.615 7.939 5.790 1.00 0.00 C ATOM 408 CE LYS A 27 -1.192 8.741 6.960 1.00 0.00 C ATOM 409 NZ LYS A 27 -2.665 8.527 7.029 1.00 0.00 N ATOM 0 H LYS A 27 0.544 4.201 7.897 1.00 0.00 H new ATOM 0 HA LYS A 27 0.263 5.200 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.182 6.379 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.926 6.500 7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.343 8.516 6.507 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.381 7.480 5.094 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.735 8.496 4.861 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.162 7.003 5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.724 8.430 7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.973 9.801 6.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.121 9.375 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.035 8.346 6.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.869 7.710 7.640 1.00 0.00 H new ATOM 423 N ALA A 28 3.437 4.744 6.172 1.00 0.00 N ATOM 424 CA ALA A 28 4.781 4.602 5.622 1.00 0.00 C ATOM 425 C ALA A 28 4.839 3.438 4.635 1.00 0.00 C ATOM 426 O ALA A 28 5.400 3.563 3.545 1.00 0.00 O ATOM 427 CB ALA A 28 5.783 4.367 6.755 1.00 0.00 C ATOM 0 H ALA A 28 3.375 4.605 7.181 1.00 0.00 H new ATOM 0 HA ALA A 28 5.037 5.520 5.094 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.785 4.262 6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.762 5.214 7.441 1.00 0.00 H new ATOM 0 HB3 ALA A 28 5.516 3.458 7.294 1.00 0.00 H new ATOM 433 N GLU A 29 4.258 2.306 5.030 1.00 0.00 N ATOM 434 CA GLU A 29 4.249 1.119 4.181 1.00 0.00 C ATOM 435 C GLU A 29 3.602 1.418 2.830 1.00 0.00 C ATOM 436 O GLU A 29 4.201 1.178 1.781 1.00 0.00 O ATOM 437 CB GLU A 29 3.498 -0.020 4.879 1.00 0.00 C ATOM 438 CG GLU A 29 3.500 -1.268 3.987 1.00 0.00 C ATOM 439 CD GLU A 29 4.931 -1.740 3.745 1.00 0.00 C ATOM 440 OE1 GLU A 29 5.466 -2.418 4.607 1.00 0.00 O ATOM 441 OE2 GLU A 29 5.472 -1.416 2.700 1.00 0.00 O ATOM 0 H GLU A 29 3.790 2.187 5.928 1.00 0.00 H new ATOM 0 HA GLU A 29 5.282 0.816 4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.969 -0.245 5.836 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.473 0.285 5.092 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.922 -2.062 4.459 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.017 -1.045 3.036 1.00 0.00 H new ATOM 448 N GLN A 30 2.377 1.937 2.865 1.00 0.00 N ATOM 449 CA GLN A 30 1.650 2.263 1.640 1.00 0.00 C ATOM 450 C GLN A 30 2.537 3.049 0.677 1.00 0.00 C ATOM 451 O GLN A 30 2.655 2.701 -0.498 1.00 0.00 O ATOM 452 CB GLN A 30 0.399 3.083 1.974 1.00 0.00 C ATOM 453 CG GLN A 30 -0.493 2.304 2.951 1.00 0.00 C ATOM 454 CD GLN A 30 -1.832 1.976 2.296 1.00 0.00 C ATOM 455 OE1 GLN A 30 -2.881 2.395 2.784 1.00 0.00 O ATOM 456 NE2 GLN A 30 -1.860 1.244 1.215 1.00 0.00 N ATOM 0 H GLN A 30 1.868 2.140 3.725 1.00 0.00 H new ATOM 0 HA GLN A 30 1.354 1.330 1.160 1.00 0.00 H new ATOM 0 HB2 GLN A 30 0.687 4.038 2.414 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.154 3.306 1.062 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.006 1.384 3.256 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.656 2.892 3.854 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.990 0.897 0.811 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.752 1.019 0.774 1.00 0.00 H new ATOM 465 N GLN A 31 3.161 4.109 1.187 1.00 0.00 N ATOM 466 CA GLN A 31 4.039 4.939 0.366 1.00 0.00 C ATOM 467 C GLN A 31 5.186 4.109 -0.206 1.00 0.00 C ATOM 468 O GLN A 31 5.602 4.310 -1.347 1.00 0.00 O ATOM 469 CB GLN A 31 4.606 6.087 1.209 1.00 0.00 C ATOM 470 CG GLN A 31 5.282 7.122 0.298 1.00 0.00 C ATOM 471 CD GLN A 31 4.233 7.898 -0.493 1.00 0.00 C ATOM 472 OE1 GLN A 31 3.159 8.330 0.110 1.00 0.00 O flip ATOM 473 NE2 GLN A 31 4.399 8.121 -1.694 1.00 0.00 N flip ATOM 0 H GLN A 31 3.076 4.412 2.157 1.00 0.00 H new ATOM 0 HA GLN A 31 3.456 5.346 -0.460 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.807 6.560 1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.326 5.699 1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.877 7.810 0.898 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.967 6.622 -0.387 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.239 7.783 -2.164 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.697 8.644 -2.218 1.00 0.00 H new ATOM 482 N LYS A 32 5.689 3.176 0.602 1.00 0.00 N ATOM 483 CA LYS A 32 6.789 2.311 0.183 1.00 0.00 C ATOM 484 C LYS A 32 6.402 1.512 -1.061 1.00 0.00 C ATOM 485 O LYS A 32 7.064 1.598 -2.095 1.00 0.00 O ATOM 486 CB LYS A 32 7.152 1.353 1.324 1.00 0.00 C ATOM 487 CG LYS A 32 8.636 0.985 1.240 1.00 0.00 C ATOM 488 CD LYS A 32 9.051 0.223 2.503 1.00 0.00 C ATOM 489 CE LYS A 32 9.472 1.217 3.591 1.00 0.00 C ATOM 490 NZ LYS A 32 9.594 0.504 4.895 1.00 0.00 N ATOM 0 H LYS A 32 5.352 3.001 1.549 1.00 0.00 H new ATOM 0 HA LYS A 32 7.651 2.933 -0.060 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.938 1.820 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.541 0.453 1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.819 0.372 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.239 1.887 1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.223 -0.390 2.858 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.875 -0.454 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.423 1.680 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.738 2.019 3.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.880 1.178 5.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.677 0.082 5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.310 -0.246 4.815 1.00 0.00 H new ATOM 504 N LEU A 33 5.325 0.738 -0.948 1.00 0.00 N ATOM 505 CA LEU A 33 4.850 -0.073 -2.066 1.00 0.00 C ATOM 506 C LEU A 33 4.578 0.800 -3.289 1.00 0.00 C ATOM 507 O LEU A 33 4.839 0.394 -4.422 1.00 0.00 O ATOM 508 CB LEU A 33 3.568 -0.817 -1.669 1.00 0.00 C ATOM 509 CG LEU A 33 3.750 -1.486 -0.301 1.00 0.00 C ATOM 510 CD1 LEU A 33 2.565 -2.412 -0.022 1.00 0.00 C ATOM 511 CD2 LEU A 33 5.046 -2.305 -0.291 1.00 0.00 C ATOM 0 H LEU A 33 4.767 0.655 -0.098 1.00 0.00 H new ATOM 0 HA LEU A 33 5.626 -0.796 -2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.730 -0.121 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.326 -1.568 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 33 3.803 -0.716 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.695 -2.887 0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.642 -1.832 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.512 -3.178 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.170 -2.778 0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.997 -3.073 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.893 -1.648 -0.486 1.00 0.00 H new ATOM 523 N ARG A 34 4.052 2.002 -3.050 1.00 0.00 N ATOM 524 CA ARG A 34 3.746 2.930 -4.136 1.00 0.00 C ATOM 525 C ARG A 34 5.026 3.391 -4.828 1.00 0.00 C ATOM 526 O ARG A 34 5.067 3.522 -6.052 1.00 0.00 O ATOM 527 CB ARG A 34 2.990 4.146 -3.591 1.00 0.00 C ATOM 528 CG ARG A 34 1.486 3.845 -3.547 1.00 0.00 C ATOM 529 CD ARG A 34 0.819 4.351 -4.831 1.00 0.00 C ATOM 530 NE ARG A 34 0.716 5.808 -4.809 1.00 0.00 N ATOM 531 CZ ARG A 34 0.085 6.476 -5.774 1.00 0.00 C ATOM 532 NH1 ARG A 34 -0.447 5.835 -6.781 1.00 0.00 N ATOM 533 NH2 ARG A 34 0.003 7.775 -5.717 1.00 0.00 N ATOM 0 H ARG A 34 3.830 2.353 -2.118 1.00 0.00 H new ATOM 0 HA ARG A 34 3.121 2.411 -4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.350 4.392 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.178 5.015 -4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.323 2.773 -3.440 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.035 4.324 -2.678 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.397 4.034 -5.699 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.173 3.911 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 34 1.137 6.326 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.380 4.818 -6.831 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.929 6.351 -7.517 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.421 8.279 -4.935 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.480 8.288 -6.455 1.00 0.00 H new ATOM 547 N GLN A 35 6.071 3.629 -4.038 1.00 0.00 N ATOM 548 CA GLN A 35 7.349 4.067 -4.588 1.00 0.00 C ATOM 549 C GLN A 35 7.895 3.007 -5.543 1.00 0.00 C ATOM 550 O GLN A 35 8.267 3.311 -6.677 1.00 0.00 O ATOM 551 CB GLN A 35 8.351 4.314 -3.453 1.00 0.00 C ATOM 552 CG GLN A 35 9.650 4.901 -4.018 1.00 0.00 C ATOM 553 CD GLN A 35 10.508 3.800 -4.641 1.00 0.00 C ATOM 554 OE1 GLN A 35 10.580 2.631 -4.064 1.00 0.00 O flip ATOM 555 NE2 GLN A 35 11.128 4.012 -5.683 1.00 0.00 N flip ATOM 0 H GLN A 35 6.058 3.527 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 35 7.199 4.997 -5.137 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.922 4.998 -2.720 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.561 3.380 -2.932 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.418 5.658 -4.768 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.207 5.399 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.071 4.925 -6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.698 3.274 -6.096 1.00 0.00 H new