USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 150 hydrogens (7 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 1 GLY H1 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 16 ARG C :(NH2R) USER MOD NoAdj-H: A 8 DPR H : A 8 DPR N : A 7 PHE C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 172:sc= -0.165 (180deg=-0.258) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0105 USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= -2.43 (180deg=-2.47) USER MOD Single : A 14 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.7!) USER MOD Single : A 15 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.008 3.065 1.858 1.00 0.00 N ATOM 2 CA GLY A 1 6.672 2.301 3.056 1.00 0.00 C ATOM 3 C GLY A 1 7.560 1.067 3.173 1.00 0.00 C ATOM 4 O GLY A 1 8.448 0.850 2.349 1.00 0.00 O ATOM 0 H2 GLY A 1 6.309 3.823 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.793 2.928 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.625 2.000 3.020 1.00 0.00 H new ATOM 8 N SER A 2 7.315 0.260 4.201 1.00 0.00 N ATOM 9 CA SER A 2 8.101 -0.952 4.410 1.00 0.00 C ATOM 10 C SER A 2 8.336 -1.664 3.082 1.00 0.00 C ATOM 11 O SER A 2 9.369 -2.304 2.881 1.00 0.00 O ATOM 12 CB SER A 2 7.373 -1.889 5.373 1.00 0.00 C ATOM 13 OG SER A 2 5.970 -1.745 5.196 1.00 0.00 O ATOM 0 H SER A 2 6.586 0.421 4.896 1.00 0.00 H new ATOM 0 HA SER A 2 9.063 -0.673 4.839 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.671 -2.921 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.647 -1.657 6.402 1.00 0.00 H new ATOM 0 HG SER A 2 5.499 -2.346 5.811 1.00 0.00 H new ATOM 19 N ARG A 3 7.370 -1.543 2.180 1.00 0.00 N ATOM 20 CA ARG A 3 7.471 -2.171 0.868 1.00 0.00 C ATOM 21 C ARG A 3 6.262 -1.809 0.019 1.00 0.00 C ATOM 22 O ARG A 3 6.288 -1.923 -1.207 1.00 0.00 O ATOM 23 CB ARG A 3 7.562 -3.692 1.016 1.00 0.00 C ATOM 24 CG ARG A 3 6.782 -4.137 2.256 1.00 0.00 C ATOM 25 CD ARG A 3 6.257 -5.558 2.046 1.00 0.00 C ATOM 26 NE ARG A 3 6.037 -6.209 3.332 1.00 0.00 N ATOM 27 CZ ARG A 3 4.995 -5.893 4.094 1.00 0.00 C ATOM 28 NH1 ARG A 3 4.820 -6.492 5.241 1.00 0.00 N ATOM 29 NH2 ARG A 3 4.147 -4.984 3.695 1.00 0.00 N ATOM 0 H ARG A 3 6.509 -1.017 2.332 1.00 0.00 H new ATOM 0 HA ARG A 3 8.373 -1.807 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.160 -4.178 0.127 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.605 -3.997 1.102 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.425 -4.102 3.135 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.952 -3.455 2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 3 5.326 -5.529 1.481 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.970 -6.134 1.456 1.00 0.00 H new ATOM 0 HE ARG A 3 6.695 -6.920 3.653 1.00 0.00 H new ATOM 0 HH11 ARG A 3 5.483 -7.202 5.552 1.00 0.00 H new ATOM 0 HH12 ARG A 3 4.020 -6.250 5.826 1.00 0.00 H new ATOM 0 HH21 ARG A 3 4.284 -4.517 2.799 1.00 0.00 H new ATOM 0 HH22 ARG A 3 3.347 -4.741 4.279 1.00 0.00 H new ATOM 43 N ARG A 4 5.209 -1.364 0.688 1.00 0.00 N ATOM 44 CA ARG A 4 3.977 -0.971 0.008 1.00 0.00 C ATOM 45 C ARG A 4 2.979 -0.397 1.002 1.00 0.00 C ATOM 46 O ARG A 4 3.052 -0.672 2.200 1.00 0.00 O ATOM 47 CB ARG A 4 3.340 -2.181 -0.688 1.00 0.00 C ATOM 48 CG ARG A 4 2.889 -3.201 0.364 1.00 0.00 C ATOM 49 CD ARG A 4 1.372 -3.105 0.592 1.00 0.00 C ATOM 50 NE ARG A 4 1.033 -3.668 1.894 1.00 0.00 N ATOM 51 CZ ARG A 4 1.184 -4.966 2.142 1.00 0.00 C ATOM 52 NH1 ARG A 4 0.901 -5.442 3.324 1.00 0.00 N ATOM 53 NH2 ARG A 4 1.610 -5.766 1.203 1.00 0.00 N ATOM 0 H ARG A 4 5.180 -1.265 1.703 1.00 0.00 H new ATOM 0 HA ARG A 4 4.231 -0.213 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.488 -1.861 -1.288 1.00 0.00 H new ATOM 0 HB3 ARG A 4 4.056 -2.639 -1.370 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.151 -4.208 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 4 3.416 -3.022 1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.052 -2.064 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.842 -3.640 -0.196 1.00 0.00 H new ATOM 0 HE ARG A 4 0.674 -3.056 2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 4 0.564 -4.819 4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.017 -6.437 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.828 -5.396 0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.725 -6.761 1.394 1.00 0.00 H new ATOM 67 N PHE A 5 2.032 0.378 0.488 1.00 0.00 N ATOM 68 CA PHE A 5 0.993 0.968 1.321 1.00 0.00 C ATOM 69 C PHE A 5 -0.365 0.531 0.797 1.00 0.00 C ATOM 70 O PHE A 5 -0.540 0.361 -0.406 1.00 0.00 O ATOM 71 CB PHE A 5 1.091 2.495 1.294 1.00 0.00 C ATOM 72 CG PHE A 5 0.679 3.046 2.639 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.657 3.430 3.564 1.00 0.00 C ATOM 74 CD2 PHE A 5 -0.679 3.172 2.961 1.00 0.00 C ATOM 75 CE1 PHE A 5 1.279 3.937 4.812 1.00 0.00 C ATOM 76 CE2 PHE A 5 -1.056 3.681 4.210 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.077 4.064 5.134 1.00 0.00 C ATOM 0 H PHE A 5 1.963 0.612 -0.502 1.00 0.00 H new ATOM 0 HA PHE A 5 1.121 0.632 2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.110 2.801 1.060 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.449 2.898 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.703 3.335 3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.434 2.877 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 5 2.034 4.230 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.102 3.778 4.460 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.368 4.458 6.096 1.00 0.00 H new ATOM 87 N ARG A 6 -1.326 0.331 1.685 1.00 0.00 N ATOM 88 CA ARG A 6 -2.644 -0.099 1.244 1.00 0.00 C ATOM 89 C ARG A 6 -3.651 -0.027 2.386 1.00 0.00 C ATOM 90 O ARG A 6 -3.318 -0.279 3.543 1.00 0.00 O ATOM 91 CB ARG A 6 -2.562 -1.524 0.666 1.00 0.00 C ATOM 92 CG ARG A 6 -2.829 -2.559 1.756 1.00 0.00 C ATOM 93 CD ARG A 6 -2.300 -3.918 1.285 1.00 0.00 C ATOM 94 NE ARG A 6 -2.573 -4.945 2.285 1.00 0.00 N ATOM 95 CZ ARG A 6 -1.952 -4.946 3.460 1.00 0.00 C ATOM 96 NH1 ARG A 6 -2.214 -5.880 4.334 1.00 0.00 N ATOM 97 NH2 ARG A 6 -1.082 -4.016 3.740 1.00 0.00 N ATOM 0 H ARG A 6 -1.224 0.456 2.692 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.990 0.575 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.288 -1.639 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.576 -1.691 0.232 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.340 -2.264 2.684 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.897 -2.621 1.964 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.768 -4.189 0.339 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.227 -3.855 1.103 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.253 -5.676 2.078 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.894 -6.607 4.114 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -1.738 -5.882 5.236 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -0.877 -3.287 3.057 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.606 -4.018 4.642 1.00 0.00 H new ATOM 111 N PHE A 7 -4.877 0.355 2.041 1.00 0.00 N ATOM 112 CA PHE A 7 -5.940 0.502 3.020 1.00 0.00 C ATOM 113 C PHE A 7 -7.039 -0.545 2.799 1.00 0.00 C ATOM 114 O PHE A 7 -7.971 -0.310 2.032 1.00 0.00 O ATOM 115 CB PHE A 7 -6.540 1.898 2.866 1.00 0.00 C ATOM 116 CG PHE A 7 -6.015 2.808 3.950 1.00 0.00 C ATOM 117 CD1 PHE A 7 -5.044 3.773 3.643 1.00 0.00 C ATOM 118 CD2 PHE A 7 -6.502 2.695 5.257 1.00 0.00 C ATOM 119 CE1 PHE A 7 -4.563 4.623 4.648 1.00 0.00 C ATOM 120 CE2 PHE A 7 -6.018 3.543 6.260 1.00 0.00 C ATOM 121 CZ PHE A 7 -5.049 4.507 5.955 1.00 0.00 C ATOM 0 H PHE A 7 -5.156 0.569 1.084 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.529 0.360 4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.290 2.304 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.627 1.844 2.920 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -4.668 3.861 2.634 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.251 1.954 5.492 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -3.817 5.368 4.414 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -6.392 3.454 7.269 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.677 5.161 6.729 1.00 0.00 H new HETATM 131 N DPR A 8 -6.957 -1.684 3.449 1.00 0.00 N HETATM 132 CA DPR A 8 -7.972 -2.765 3.314 1.00 0.00 C HETATM 133 CB DPR A 8 -7.175 -4.018 3.666 1.00 0.00 C HETATM 134 CG DPR A 8 -6.150 -3.564 4.655 1.00 0.00 C HETATM 135 CD DPR A 8 -5.887 -2.078 4.383 1.00 0.00 C HETATM 136 C DPR A 8 -8.548 -2.868 1.894 1.00 0.00 C HETATM 137 O DPR A 8 -7.926 -3.468 1.017 1.00 0.00 O HETATM 0 HG3 DPR A 8 -6.507 -3.712 5.674 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -5.232 -4.143 4.551 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -4.900 -1.922 3.946 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -5.925 -1.493 5.302 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -7.819 -4.788 4.091 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -6.706 -4.448 2.781 1.00 0.00 H new HETATM 0 HA DPR A 8 -8.842 -2.595 3.948 1.00 0.00 H new ATOM 145 N PRO A 9 -9.713 -2.308 1.646 1.00 0.00 N ATOM 146 CA PRO A 9 -10.352 -2.367 0.296 1.00 0.00 C ATOM 147 C PRO A 9 -9.544 -1.631 -0.760 1.00 0.00 C ATOM 148 O PRO A 9 -9.328 -2.135 -1.862 1.00 0.00 O ATOM 149 CB PRO A 9 -11.721 -1.708 0.497 1.00 0.00 C ATOM 150 CG PRO A 9 -11.589 -0.876 1.728 1.00 0.00 C ATOM 151 CD PRO A 9 -10.547 -1.566 2.609 1.00 0.00 C ATOM 0 HA PRO A 9 -10.423 -3.392 -0.069 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.991 -1.095 -0.363 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.504 -2.458 0.613 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.276 0.138 1.479 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.544 -0.797 2.247 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.959 -0.843 3.175 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.014 -2.234 3.333 1.00 0.00 H new ATOM 159 N LYS A 10 -9.096 -0.441 -0.411 1.00 0.00 N ATOM 160 CA LYS A 10 -8.301 0.369 -1.327 1.00 0.00 C ATOM 161 C LYS A 10 -6.892 -0.193 -1.436 1.00 0.00 C ATOM 162 O LYS A 10 -6.404 -0.847 -0.513 1.00 0.00 O ATOM 163 CB LYS A 10 -8.233 1.814 -0.827 1.00 0.00 C ATOM 164 CG LYS A 10 -7.631 2.716 -1.910 1.00 0.00 C ATOM 165 CD LYS A 10 -7.585 4.163 -1.409 1.00 0.00 C ATOM 166 CE LYS A 10 -6.654 4.271 -0.194 1.00 0.00 C ATOM 167 NZ LYS A 10 -7.463 4.204 1.055 1.00 0.00 N ATOM 0 H LYS A 10 -9.266 -0.010 0.498 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.774 0.348 -2.309 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -9.231 2.164 -0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.629 1.866 0.079 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.627 2.376 -2.163 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.227 2.655 -2.821 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.235 4.821 -2.205 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.588 4.495 -1.139 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.922 3.464 -0.210 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.097 5.207 -0.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.838 4.311 1.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.168 4.968 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.948 3.286 1.105 1.00 0.00 H new ATOM 181 N ILE A 11 -6.243 0.075 -2.563 1.00 0.00 N ATOM 182 CA ILE A 11 -4.882 -0.399 -2.784 1.00 0.00 C ATOM 183 C ILE A 11 -3.972 0.766 -3.157 1.00 0.00 C ATOM 184 O ILE A 11 -4.263 1.540 -4.069 1.00 0.00 O ATOM 185 CB ILE A 11 -4.871 -1.496 -3.871 1.00 0.00 C ATOM 186 CG1 ILE A 11 -4.467 -2.842 -3.234 1.00 0.00 C ATOM 187 CG2 ILE A 11 -3.897 -1.158 -5.014 1.00 0.00 C ATOM 188 CD1 ILE A 11 -2.994 -2.810 -2.799 1.00 0.00 C ATOM 0 H ILE A 11 -6.635 0.615 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.501 -0.837 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.874 -1.561 -4.294 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.102 -3.049 -2.373 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.624 -3.651 -3.948 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.919 -1.954 -5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.194 -0.218 -5.479 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.887 -1.062 -4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.726 -3.767 -2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.362 -2.626 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.848 -2.014 -2.068 1.00 0.00 H new ATOM 200 N ILE A 12 -2.866 0.878 -2.432 1.00 0.00 N ATOM 201 CA ILE A 12 -1.893 1.938 -2.669 1.00 0.00 C ATOM 202 C ILE A 12 -0.515 1.298 -2.803 1.00 0.00 C ATOM 203 O ILE A 12 0.446 1.686 -2.139 1.00 0.00 O ATOM 204 CB ILE A 12 -1.912 2.955 -1.508 1.00 0.00 C ATOM 205 CG1 ILE A 12 -3.339 3.495 -1.290 1.00 0.00 C ATOM 206 CG2 ILE A 12 -0.981 4.133 -1.813 1.00 0.00 C ATOM 207 CD1 ILE A 12 -3.623 4.653 -2.258 1.00 0.00 C ATOM 0 H ILE A 12 -2.619 0.245 -1.671 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.141 2.477 -3.583 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.572 2.443 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.065 2.697 -1.444 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.453 3.836 -0.261 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.006 4.841 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.037 3.767 -1.947 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.311 4.630 -2.725 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.634 5.025 -2.093 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.908 5.457 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.529 4.300 -3.285 1.00 0.00 H new ATOM 219 N PHE A 13 -0.443 0.284 -3.658 1.00 0.00 N ATOM 220 CA PHE A 13 0.797 -0.444 -3.877 1.00 0.00 C ATOM 221 C PHE A 13 1.656 0.285 -4.910 1.00 0.00 C ATOM 222 O PHE A 13 2.035 -0.276 -5.939 1.00 0.00 O ATOM 223 CB PHE A 13 0.462 -1.867 -4.344 1.00 0.00 C ATOM 224 CG PHE A 13 1.465 -2.852 -3.789 1.00 0.00 C ATOM 225 CD1 PHE A 13 2.774 -2.877 -4.289 1.00 0.00 C ATOM 226 CD2 PHE A 13 1.083 -3.752 -2.781 1.00 0.00 C ATOM 227 CE1 PHE A 13 3.700 -3.798 -3.784 1.00 0.00 C ATOM 228 CE2 PHE A 13 2.012 -4.673 -2.278 1.00 0.00 C ATOM 229 CZ PHE A 13 3.318 -4.696 -2.780 1.00 0.00 C ATOM 0 H PHE A 13 -1.232 -0.052 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 13 1.366 -0.500 -2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.542 -2.137 -4.017 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.465 -1.910 -5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.069 -2.185 -5.064 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.075 -3.734 -2.394 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.709 -3.816 -4.169 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.720 -5.365 -1.502 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.032 -5.407 -2.392 1.00 0.00 H new ATOM 239 N ASN A 14 1.951 1.550 -4.625 1.00 0.00 N ATOM 240 CA ASN A 14 2.756 2.361 -5.529 1.00 0.00 C ATOM 241 C ASN A 14 3.607 3.357 -4.745 1.00 0.00 C ATOM 242 O ASN A 14 4.715 3.699 -5.156 1.00 0.00 O ATOM 243 CB ASN A 14 1.844 3.120 -6.495 1.00 0.00 C ATOM 244 CG ASN A 14 2.548 4.374 -7.003 1.00 0.00 C ATOM 245 OD1 ASN A 14 3.747 4.345 -7.277 1.00 0.00 O ATOM 246 ND2 ASN A 14 1.870 5.480 -7.144 1.00 0.00 N ATOM 0 H ASN A 14 1.646 2.032 -3.780 1.00 0.00 H new ATOM 0 HA ASN A 14 3.416 1.700 -6.090 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.576 2.478 -7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.916 3.393 -5.993 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.334 6.323 -7.482 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.876 5.501 -6.916 1.00 0.00 H new ATOM 253 N GLN A 15 3.078 3.818 -3.615 1.00 0.00 N ATOM 254 CA GLN A 15 3.796 4.777 -2.782 1.00 0.00 C ATOM 255 C GLN A 15 4.974 4.109 -2.081 1.00 0.00 C ATOM 256 O GLN A 15 5.451 3.059 -2.512 1.00 0.00 O ATOM 257 CB GLN A 15 2.848 5.372 -1.739 1.00 0.00 C ATOM 258 CG GLN A 15 1.649 6.009 -2.444 1.00 0.00 C ATOM 259 CD GLN A 15 2.112 7.182 -3.303 1.00 0.00 C ATOM 260 OE1 GLN A 15 3.131 7.805 -3.007 1.00 0.00 O ATOM 261 NE2 GLN A 15 1.420 7.520 -4.357 1.00 0.00 N ATOM 0 H GLN A 15 2.162 3.546 -3.257 1.00 0.00 H new ATOM 0 HA GLN A 15 4.177 5.571 -3.424 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.510 4.595 -1.054 1.00 0.00 H new ATOM 0 HB3 GLN A 15 3.371 6.119 -1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 15 1.146 5.268 -3.066 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.923 6.352 -1.707 1.00 0.00 H new ATOM 0 HE21 GLN A 15 0.576 7.002 -4.600 1.00 0.00 H new ATOM 0 HE22 GLN A 15 1.724 8.302 -4.937 1.00 0.00 H new ATOM 270 N ARG A 16 5.443 4.727 -1.001 1.00 0.00 N ATOM 271 CA ARG A 16 6.570 4.186 -0.249 1.00 0.00 C ATOM 272 C ARG A 16 6.083 3.387 0.957 1.00 0.00 C ATOM 273 O ARG A 16 4.898 3.068 1.064 1.00 0.00 O ATOM 274 CB ARG A 16 7.477 5.323 0.225 1.00 0.00 C ATOM 275 CG ARG A 16 6.641 6.368 0.970 1.00 0.00 C ATOM 276 CD ARG A 16 7.566 7.395 1.627 1.00 0.00 C ATOM 277 NE ARG A 16 8.179 8.247 0.614 1.00 0.00 N ATOM 278 CZ ARG A 16 9.323 7.909 0.024 1.00 0.00 C ATOM 279 NH1 ARG A 16 9.848 8.695 -0.877 1.00 0.00 N ATOM 280 NH2 ARG A 16 9.922 6.794 0.343 1.00 0.00 N ATOM 0 H ARG A 16 5.063 5.597 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 16 7.131 3.522 -0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.256 4.932 0.879 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.977 5.783 -0.627 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.962 6.866 0.277 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.025 5.883 1.727 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.001 8.005 2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.340 6.884 2.199 1.00 0.00 H new ATOM 0 HE ARG A 16 7.721 9.120 0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.381 9.567 -1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.725 8.437 -1.330 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.513 6.179 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.799 6.538 -0.111 1.00 0.00 H new TER 294 ARG A 16