USER MOD reduce.3.24.130724 H: found=0, std=0, add=150, rem=0, adj=2 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 Set 1.1: A 2 SER OG : rot 180:sc= -0.0344 USER MOD Set 1.2: A 15 GLN : amide:sc= -5.01! K(o=-5!,f=-0.9) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0 (180deg=-0.376) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -3.49! K(o=-3.5!,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.274 0.609 -3.216 1.00 0.00 N ATOM 2 CA GLY A 1 11.348 0.768 -2.242 1.00 0.00 C ATOM 3 C GLY A 1 10.811 0.651 -0.820 1.00 0.00 C ATOM 4 O GLY A 1 11.258 -0.194 -0.044 1.00 0.00 O ATOM 0 H2 GLY A 1 10.604 0.014 -4.003 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.113 0.010 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.826 1.738 -2.376 1.00 0.00 H new ATOM 8 N SER A 2 9.847 1.504 -0.486 1.00 0.00 N ATOM 9 CA SER A 2 9.253 1.485 0.846 1.00 0.00 C ATOM 10 C SER A 2 8.239 0.352 0.962 1.00 0.00 C ATOM 11 O SER A 2 7.189 0.506 1.588 1.00 0.00 O ATOM 12 CB SER A 2 8.565 2.821 1.129 1.00 0.00 C ATOM 13 OG SER A 2 9.268 3.862 0.463 1.00 0.00 O ATOM 0 H SER A 2 9.463 2.211 -1.113 1.00 0.00 H new ATOM 0 HA SER A 2 10.046 1.324 1.577 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.530 2.790 0.788 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.542 3.011 2.202 1.00 0.00 H new ATOM 0 HG SER A 2 8.828 4.720 0.641 1.00 0.00 H new ATOM 19 N ARG A 3 8.560 -0.784 0.352 1.00 0.00 N ATOM 20 CA ARG A 3 7.672 -1.941 0.391 1.00 0.00 C ATOM 21 C ARG A 3 6.309 -1.595 -0.204 1.00 0.00 C ATOM 22 O ARG A 3 6.192 -0.679 -1.019 1.00 0.00 O ATOM 23 CB ARG A 3 7.496 -2.421 1.833 1.00 0.00 C ATOM 24 CG ARG A 3 8.869 -2.598 2.484 1.00 0.00 C ATOM 25 CD ARG A 3 8.982 -4.011 3.058 1.00 0.00 C ATOM 26 NE ARG A 3 10.296 -4.208 3.660 1.00 0.00 N ATOM 27 CZ ARG A 3 10.589 -3.699 4.853 1.00 0.00 C ATOM 28 NH1 ARG A 3 11.771 -3.889 5.371 1.00 0.00 N ATOM 29 NH2 ARG A 3 9.694 -3.008 5.503 1.00 0.00 N ATOM 0 H ARG A 3 9.423 -0.928 -0.172 1.00 0.00 H new ATOM 0 HA ARG A 3 8.122 -2.737 -0.202 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.904 -1.700 2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.950 -3.364 1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.656 -2.428 1.750 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.006 -1.861 3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 3 8.204 -4.171 3.805 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.822 -4.746 2.269 1.00 0.00 H new ATOM 0 HE ARG A 3 11.002 -4.745 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 3 12.471 -4.428 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.996 -3.498 6.286 1.00 0.00 H new ATOM 0 HH21 ARG A 3 8.771 -2.859 5.096 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.917 -2.617 6.418 1.00 0.00 H new ATOM 43 N ARG A 4 5.285 -2.336 0.212 1.00 0.00 N ATOM 44 CA ARG A 4 3.929 -2.108 -0.282 1.00 0.00 C ATOM 45 C ARG A 4 3.048 -1.542 0.826 1.00 0.00 C ATOM 46 O ARG A 4 3.163 -1.944 1.985 1.00 0.00 O ATOM 47 CB ARG A 4 3.341 -3.432 -0.803 1.00 0.00 C ATOM 48 CG ARG A 4 1.817 -3.470 -0.569 1.00 0.00 C ATOM 49 CD ARG A 4 1.166 -4.592 -1.395 1.00 0.00 C ATOM 50 NE ARG A 4 1.201 -5.847 -0.652 1.00 0.00 N ATOM 51 CZ ARG A 4 1.134 -7.018 -1.277 1.00 0.00 C ATOM 52 NH1 ARG A 4 1.168 -8.127 -0.589 1.00 0.00 N ATOM 53 NH2 ARG A 4 1.034 -7.060 -2.578 1.00 0.00 N ATOM 0 H ARG A 4 5.367 -3.096 0.887 1.00 0.00 H new ATOM 0 HA ARG A 4 3.965 -1.385 -1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.555 -3.539 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.815 -4.273 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 4 1.611 -3.625 0.490 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.379 -2.510 -0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.135 -4.329 -1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.691 -4.707 -2.343 1.00 0.00 H new ATOM 0 HE ARG A 4 1.278 -5.825 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 4 1.246 -8.094 0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 4 1.117 -9.026 -1.068 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.007 -6.194 -3.116 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.983 -7.959 -3.057 1.00 0.00 H new ATOM 67 N PHE A 5 2.156 -0.621 0.459 1.00 0.00 N ATOM 68 CA PHE A 5 1.246 -0.024 1.424 1.00 0.00 C ATOM 69 C PHE A 5 -0.196 -0.260 0.986 1.00 0.00 C ATOM 70 O PHE A 5 -0.814 0.575 0.330 1.00 0.00 O ATOM 71 CB PHE A 5 1.526 1.477 1.554 1.00 0.00 C ATOM 72 CG PHE A 5 1.102 1.951 2.925 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.016 2.825 3.063 1.00 0.00 C ATOM 74 CD2 PHE A 5 1.796 1.516 4.059 1.00 0.00 C ATOM 75 CE1 PHE A 5 -0.374 3.263 4.334 1.00 0.00 C ATOM 76 CE2 PHE A 5 1.407 1.954 5.331 1.00 0.00 C ATOM 77 CZ PHE A 5 0.322 2.827 5.468 1.00 0.00 C ATOM 0 H PHE A 5 2.048 -0.277 -0.495 1.00 0.00 H new ATOM 0 HA PHE A 5 1.400 -0.490 2.397 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.587 1.675 1.401 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.985 2.027 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.521 3.161 2.188 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.633 0.842 3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.211 3.937 4.440 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.944 1.618 6.206 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.021 3.165 6.449 1.00 0.00 H new ATOM 87 N ARG A 6 -0.729 -1.415 1.346 1.00 0.00 N ATOM 88 CA ARG A 6 -2.095 -1.750 0.981 1.00 0.00 C ATOM 89 C ARG A 6 -3.025 -1.403 2.136 1.00 0.00 C ATOM 90 O ARG A 6 -2.745 -1.747 3.285 1.00 0.00 O ATOM 91 CB ARG A 6 -2.179 -3.240 0.639 1.00 0.00 C ATOM 92 CG ARG A 6 -3.542 -3.575 0.019 1.00 0.00 C ATOM 93 CD ARG A 6 -3.387 -4.760 -0.940 1.00 0.00 C ATOM 94 NE ARG A 6 -2.950 -5.945 -0.212 1.00 0.00 N ATOM 95 CZ ARG A 6 -3.816 -6.695 0.464 1.00 0.00 C ATOM 96 NH1 ARG A 6 -3.401 -7.753 1.103 1.00 0.00 N ATOM 97 NH2 ARG A 6 -5.079 -6.371 0.486 1.00 0.00 N ATOM 0 H ARG A 6 -0.242 -2.131 1.886 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.401 -1.177 0.106 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.382 -3.505 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.027 -3.835 1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.260 -3.818 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.934 -2.709 -0.515 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.336 -4.960 -1.438 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.664 -4.515 -1.718 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.963 -6.203 -0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.413 -8.005 1.084 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.065 -8.329 1.622 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -5.402 -5.543 -0.015 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.744 -6.945 1.004 1.00 0.00 H new ATOM 111 N PHE A 7 -4.112 -0.694 1.833 1.00 0.00 N ATOM 112 CA PHE A 7 -5.056 -0.275 2.867 1.00 0.00 C ATOM 113 C PHE A 7 -6.454 -0.890 2.656 1.00 0.00 C ATOM 114 O PHE A 7 -7.342 -0.263 2.080 1.00 0.00 O ATOM 115 CB PHE A 7 -5.137 1.262 2.878 1.00 0.00 C ATOM 116 CG PHE A 7 -4.916 1.762 4.287 1.00 0.00 C ATOM 117 CD1 PHE A 7 -5.698 1.261 5.335 1.00 0.00 C ATOM 118 CD2 PHE A 7 -3.934 2.727 4.546 1.00 0.00 C ATOM 119 CE1 PHE A 7 -5.498 1.723 6.641 1.00 0.00 C ATOM 120 CE2 PHE A 7 -3.734 3.189 5.853 1.00 0.00 C ATOM 121 CZ PHE A 7 -4.516 2.687 6.900 1.00 0.00 C ATOM 0 H PHE A 7 -4.359 -0.400 0.888 1.00 0.00 H new ATOM 0 HA PHE A 7 -4.695 -0.635 3.830 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.387 1.682 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.110 1.589 2.512 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.456 0.518 5.135 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -3.331 3.115 3.738 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -6.101 1.336 7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.977 3.932 6.053 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.362 3.043 7.908 1.00 0.00 H new HETATM 131 N DPR A 8 -6.664 -2.101 3.125 1.00 0.00 N HETATM 132 CA DPR A 8 -7.970 -2.811 3.012 1.00 0.00 C HETATM 133 CB DPR A 8 -7.539 -4.272 2.969 1.00 0.00 C HETATM 134 CG DPR A 8 -6.321 -4.342 3.833 1.00 0.00 C HETATM 135 CD DPR A 8 -5.676 -2.948 3.815 1.00 0.00 C HETATM 136 C DPR A 8 -8.766 -2.436 1.755 1.00 0.00 C HETATM 137 O DPR A 8 -8.530 -2.992 0.681 1.00 0.00 O HETATM 0 HG3 DPR A 8 -6.586 -4.631 4.850 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -5.626 -5.093 3.459 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -4.722 -2.957 3.288 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -5.478 -2.588 4.825 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -8.326 -4.927 3.343 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -7.318 -4.589 1.950 1.00 0.00 H new HETATM 0 HA DPR A 8 -8.647 -2.559 3.828 1.00 0.00 H new ATOM 145 N PRO A 9 -9.707 -1.521 1.864 1.00 0.00 N ATOM 146 CA PRO A 9 -10.548 -1.098 0.702 1.00 0.00 C ATOM 147 C PRO A 9 -9.749 -0.322 -0.332 1.00 0.00 C ATOM 148 O PRO A 9 -10.042 -0.367 -1.526 1.00 0.00 O ATOM 149 CB PRO A 9 -11.632 -0.219 1.330 1.00 0.00 C ATOM 150 CG PRO A 9 -11.043 0.288 2.603 1.00 0.00 C ATOM 151 CD PRO A 9 -10.070 -0.790 3.090 1.00 0.00 C ATOM 0 HA PRO A 9 -10.953 -1.953 0.161 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.903 0.603 0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.541 -0.790 1.518 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -10.526 1.234 2.442 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -11.821 0.472 3.344 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.194 -0.351 3.567 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.537 -1.447 3.823 1.00 0.00 H new ATOM 159 N LYS A 10 -8.738 0.380 0.142 1.00 0.00 N ATOM 160 CA LYS A 10 -7.886 1.163 -0.740 1.00 0.00 C ATOM 161 C LYS A 10 -6.656 0.355 -1.128 1.00 0.00 C ATOM 162 O LYS A 10 -6.188 -0.485 -0.359 1.00 0.00 O ATOM 163 CB LYS A 10 -7.452 2.456 -0.048 1.00 0.00 C ATOM 164 CG LYS A 10 -7.515 3.616 -1.042 1.00 0.00 C ATOM 165 CD LYS A 10 -6.826 4.843 -0.439 1.00 0.00 C ATOM 166 CE LYS A 10 -5.332 4.811 -0.770 1.00 0.00 C ATOM 167 NZ LYS A 10 -5.095 5.507 -2.066 1.00 0.00 N ATOM 0 H LYS A 10 -8.485 0.426 1.129 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.452 1.413 -1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.100 2.659 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.439 2.351 0.339 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -7.029 3.335 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.553 3.849 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.276 5.755 -0.832 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.969 4.858 0.642 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -4.762 5.294 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.984 3.780 -0.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.080 5.485 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.627 5.027 -2.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.412 6.495 -1.993 1.00 0.00 H new ATOM 181 N ILE A 11 -6.141 0.615 -2.322 1.00 0.00 N ATOM 182 CA ILE A 11 -4.965 -0.092 -2.813 1.00 0.00 C ATOM 183 C ILE A 11 -3.889 0.904 -3.225 1.00 0.00 C ATOM 184 O ILE A 11 -4.034 1.616 -4.219 1.00 0.00 O ATOM 185 CB ILE A 11 -5.350 -0.974 -4.006 1.00 0.00 C ATOM 186 CG1 ILE A 11 -4.154 -1.840 -4.426 1.00 0.00 C ATOM 187 CG2 ILE A 11 -5.770 -0.091 -5.181 1.00 0.00 C ATOM 188 CD1 ILE A 11 -3.804 -2.836 -3.315 1.00 0.00 C ATOM 0 H ILE A 11 -6.518 1.309 -2.968 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.571 -0.723 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.179 -1.620 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.390 -2.377 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.294 -1.206 -4.640 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.044 -0.719 -6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.625 0.519 -4.890 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.941 0.558 -5.463 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.954 -3.444 -3.626 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.548 -2.292 -2.406 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.661 -3.482 -3.122 1.00 0.00 H new ATOM 200 N ILE A 12 -2.806 0.956 -2.457 1.00 0.00 N ATOM 201 CA ILE A 12 -1.722 1.870 -2.761 1.00 0.00 C ATOM 202 C ILE A 12 -0.382 1.193 -2.462 1.00 0.00 C ATOM 203 O ILE A 12 0.307 1.504 -1.488 1.00 0.00 O ATOM 204 CB ILE A 12 -1.924 3.183 -1.978 1.00 0.00 C ATOM 205 CG1 ILE A 12 -0.798 4.185 -2.276 1.00 0.00 C ATOM 206 CG2 ILE A 12 -1.989 2.920 -0.473 1.00 0.00 C ATOM 207 CD1 ILE A 12 -0.742 5.223 -1.156 1.00 0.00 C ATOM 0 H ILE A 12 -2.660 0.380 -1.628 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.718 2.127 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.872 3.611 -2.304 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.157 3.665 -2.355 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.974 4.675 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.132 3.863 0.055 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.823 2.252 -0.256 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.059 2.457 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.055 5.937 -1.361 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.695 5.749 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.546 4.724 -0.207 1.00 0.00 H new ATOM 219 N PHE A 13 -0.026 0.252 -3.331 1.00 0.00 N ATOM 220 CA PHE A 13 1.221 -0.481 -3.186 1.00 0.00 C ATOM 221 C PHE A 13 2.258 0.062 -4.161 1.00 0.00 C ATOM 222 O PHE A 13 3.409 -0.374 -4.172 1.00 0.00 O ATOM 223 CB PHE A 13 0.980 -1.988 -3.411 1.00 0.00 C ATOM 224 CG PHE A 13 0.613 -2.282 -4.853 1.00 0.00 C ATOM 225 CD1 PHE A 13 -0.713 -2.606 -5.175 1.00 0.00 C ATOM 226 CD2 PHE A 13 1.584 -2.241 -5.866 1.00 0.00 C ATOM 227 CE1 PHE A 13 -1.068 -2.883 -6.500 1.00 0.00 C ATOM 228 CE2 PHE A 13 1.227 -2.520 -7.191 1.00 0.00 C ATOM 229 CZ PHE A 13 -0.099 -2.838 -7.508 1.00 0.00 C ATOM 0 H PHE A 13 -0.584 -0.019 -4.141 1.00 0.00 H new ATOM 0 HA PHE A 13 1.602 -0.348 -2.173 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.877 -2.545 -3.142 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.182 -2.332 -2.754 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.462 -2.642 -4.398 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.607 -1.994 -5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.090 -3.132 -6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.975 -2.490 -7.969 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.374 -3.049 -8.531 1.00 0.00 H new ATOM 239 N ASN A 14 1.837 1.030 -4.969 1.00 0.00 N ATOM 240 CA ASN A 14 2.730 1.650 -5.946 1.00 0.00 C ATOM 241 C ASN A 14 4.049 2.050 -5.295 1.00 0.00 C ATOM 242 O ASN A 14 5.124 1.740 -5.809 1.00 0.00 O ATOM 243 CB ASN A 14 2.060 2.890 -6.541 1.00 0.00 C ATOM 244 CG ASN A 14 3.106 3.781 -7.203 1.00 0.00 C ATOM 245 OD1 ASN A 14 3.193 3.833 -8.430 1.00 0.00 O ATOM 246 ND2 ASN A 14 3.911 4.489 -6.459 1.00 0.00 N ATOM 0 H ASN A 14 0.887 1.402 -4.968 1.00 0.00 H new ATOM 0 HA ASN A 14 2.935 0.926 -6.735 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.309 2.592 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.541 3.444 -5.759 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.614 5.087 -6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.837 4.445 -5.443 1.00 0.00 H new ATOM 253 N GLN A 15 3.959 2.746 -4.165 1.00 0.00 N ATOM 254 CA GLN A 15 5.153 3.189 -3.453 1.00 0.00 C ATOM 255 C GLN A 15 6.220 2.098 -3.460 1.00 0.00 C ATOM 256 O GLN A 15 6.149 1.142 -2.689 1.00 0.00 O ATOM 257 CB GLN A 15 4.798 3.552 -2.010 1.00 0.00 C ATOM 258 CG GLN A 15 5.280 4.972 -1.708 1.00 0.00 C ATOM 259 CD GLN A 15 6.794 5.055 -1.871 1.00 0.00 C ATOM 260 OE1 GLN A 15 7.342 6.143 -2.045 1.00 0.00 O ATOM 261 NE2 GLN A 15 7.506 3.963 -1.823 1.00 0.00 N ATOM 0 H GLN A 15 3.078 3.014 -3.726 1.00 0.00 H new ATOM 0 HA GLN A 15 5.549 4.069 -3.961 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.720 3.483 -1.861 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.261 2.845 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.794 5.680 -2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.999 5.252 -0.693 1.00 0.00 H new ATOM 0 HE21 GLN A 15 7.049 3.062 -1.679 1.00 0.00 H new ATOM 0 HE22 GLN A 15 8.519 4.010 -1.930 1.00 0.00 H new ATOM 270 N ARG A 16 7.208 2.252 -4.337 1.00 0.00 N ATOM 271 CA ARG A 16 8.286 1.275 -4.436 1.00 0.00 C ATOM 272 C ARG A 16 9.361 1.558 -3.392 1.00 0.00 C ATOM 273 O ARG A 16 9.360 2.613 -2.757 1.00 0.00 O ATOM 274 CB ARG A 16 8.905 1.321 -5.835 1.00 0.00 C ATOM 275 CG ARG A 16 9.405 2.737 -6.126 1.00 0.00 C ATOM 276 CD ARG A 16 9.980 2.795 -7.543 1.00 0.00 C ATOM 277 NE ARG A 16 10.819 1.627 -7.794 1.00 0.00 N ATOM 278 CZ ARG A 16 11.053 1.204 -9.032 1.00 0.00 C ATOM 279 NH1 ARG A 16 11.807 0.157 -9.231 1.00 0.00 N ATOM 280 NH2 ARG A 16 10.530 1.834 -10.048 1.00 0.00 N ATOM 0 H ARG A 16 7.284 3.037 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 16 7.872 0.283 -4.255 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.730 0.612 -5.903 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.167 1.024 -6.580 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.587 3.451 -6.025 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.168 3.021 -5.401 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.170 2.833 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 16 10.565 3.706 -7.669 1.00 0.00 H new ATOM 0 HE ARG A 16 11.232 1.127 -7.007 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.216 -0.335 -8.437 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.987 -0.169 -10.181 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.941 2.652 -9.893 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.710 1.508 -10.998 1.00 0.00 H new TER 294 ARG A 16