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 H2 : 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 14 ASN :FLIP amide:sc= -3.53! C(o=-5!,f=-4.9!) USER MOD Set 1.2: A 15 GLN :FLIP amide:sc= -1.33 F(o=-13!,f=-4.9) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.938! USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.919 2.798 0.980 1.00 0.00 N ATOM 2 CA GLY A 1 9.331 2.705 1.337 1.00 0.00 C ATOM 3 C GLY A 1 9.724 1.260 1.625 1.00 0.00 C ATOM 4 O GLY A 1 9.929 0.468 0.705 1.00 0.00 O ATOM 0 H3 GLY A 1 7.674 3.790 0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.943 3.098 0.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.530 3.322 2.213 1.00 0.00 H new ATOM 8 N SER A 2 9.825 0.922 2.906 1.00 0.00 N ATOM 9 CA SER A 2 10.192 -0.433 3.302 1.00 0.00 C ATOM 10 C SER A 2 9.191 -1.440 2.745 1.00 0.00 C ATOM 11 O SER A 2 9.430 -2.060 1.709 1.00 0.00 O ATOM 12 CB SER A 2 10.232 -0.541 4.827 1.00 0.00 C ATOM 13 OG SER A 2 9.697 -1.797 5.223 1.00 0.00 O ATOM 0 H SER A 2 9.659 1.562 3.683 1.00 0.00 H new ATOM 0 HA SER A 2 11.180 -0.655 2.898 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.257 -0.441 5.183 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.658 0.270 5.276 1.00 0.00 H new ATOM 0 HG SER A 2 9.723 -1.870 6.200 1.00 0.00 H new ATOM 19 N ARG A 3 8.068 -1.595 3.438 1.00 0.00 N ATOM 20 CA ARG A 3 7.035 -2.527 3.000 1.00 0.00 C ATOM 21 C ARG A 3 5.970 -1.792 2.186 1.00 0.00 C ATOM 22 O ARG A 3 6.199 -0.674 1.725 1.00 0.00 O ATOM 23 CB ARG A 3 6.392 -3.199 4.216 1.00 0.00 C ATOM 24 CG ARG A 3 5.963 -2.133 5.225 1.00 0.00 C ATOM 25 CD ARG A 3 4.636 -2.543 5.868 1.00 0.00 C ATOM 26 NE ARG A 3 4.238 -1.563 6.872 1.00 0.00 N ATOM 27 CZ ARG A 3 2.971 -1.448 7.256 1.00 0.00 C ATOM 28 NH1 ARG A 3 2.639 -0.564 8.157 1.00 0.00 N ATOM 29 NH2 ARG A 3 2.059 -2.220 6.732 1.00 0.00 N ATOM 0 H ARG A 3 7.851 -1.092 4.298 1.00 0.00 H new ATOM 0 HA ARG A 3 7.493 -3.290 2.370 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.529 -3.788 3.905 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.098 -3.889 4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.729 -2.013 5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.856 -1.169 4.728 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.863 -2.625 5.104 1.00 0.00 H new ATOM 0 HD3 ARG A 3 4.735 -3.526 6.328 1.00 0.00 H new ATOM 0 HE ARG A 3 4.944 -0.955 7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.352 0.039 8.567 1.00 0.00 H new ATOM 0 HH12 ARG A 3 1.666 -0.476 8.451 1.00 0.00 H new ATOM 0 HH21 ARG A 3 2.319 -2.911 6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.086 -2.132 7.026 1.00 0.00 H new ATOM 43 N ARG A 4 4.807 -2.421 2.012 1.00 0.00 N ATOM 44 CA ARG A 4 3.723 -1.807 1.251 1.00 0.00 C ATOM 45 C ARG A 4 2.604 -1.352 2.177 1.00 0.00 C ATOM 46 O ARG A 4 2.565 -1.722 3.351 1.00 0.00 O ATOM 47 CB ARG A 4 3.154 -2.808 0.239 1.00 0.00 C ATOM 48 CG ARG A 4 2.442 -3.945 0.982 1.00 0.00 C ATOM 49 CD ARG A 4 0.921 -3.751 0.912 1.00 0.00 C ATOM 50 NE ARG A 4 0.260 -4.610 1.890 1.00 0.00 N ATOM 51 CZ ARG A 4 0.108 -4.227 3.153 1.00 0.00 C ATOM 52 NH1 ARG A 4 -0.484 -5.016 4.006 1.00 0.00 N ATOM 53 NH2 ARG A 4 0.550 -3.062 3.540 1.00 0.00 N ATOM 0 H ARG A 4 4.594 -3.346 2.384 1.00 0.00 H new ATOM 0 HA ARG A 4 4.129 -0.942 0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.457 -2.306 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 4 3.956 -3.211 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 4 2.715 -4.904 0.542 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.766 -3.968 2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.670 -2.708 1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 4 0.562 -3.985 -0.090 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.092 -5.522 1.598 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.830 -5.927 3.703 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.601 -4.723 4.976 1.00 0.00 H new ATOM 0 HH21 ARG A 4 1.013 -2.445 2.873 1.00 0.00 H new ATOM 0 HH22 ARG A 4 0.433 -2.769 4.510 1.00 0.00 H new ATOM 67 N PHE A 5 1.684 -0.569 1.630 1.00 0.00 N ATOM 68 CA PHE A 5 0.546 -0.088 2.396 1.00 0.00 C ATOM 69 C PHE A 5 -0.722 -0.275 1.578 1.00 0.00 C ATOM 70 O PHE A 5 -0.695 -0.171 0.351 1.00 0.00 O ATOM 71 CB PHE A 5 0.725 1.388 2.753 1.00 0.00 C ATOM 72 CG PHE A 5 0.201 1.633 4.146 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.067 1.548 5.244 1.00 0.00 C ATOM 74 CD2 PHE A 5 -1.150 1.943 4.343 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.582 1.773 6.538 1.00 0.00 C ATOM 76 CE2 PHE A 5 -1.635 2.168 5.638 1.00 0.00 C ATOM 77 CZ PHE A 5 -0.768 2.082 6.734 1.00 0.00 C ATOM 0 H PHE A 5 1.705 -0.255 0.660 1.00 0.00 H new ATOM 0 HA PHE A 5 0.472 -0.658 3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.778 1.662 2.695 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.193 2.014 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.109 1.309 5.092 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -1.818 2.009 3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.250 1.708 7.384 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.677 2.408 5.791 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.142 2.255 7.732 1.00 0.00 H new ATOM 87 N ARG A 6 -1.830 -0.563 2.245 1.00 0.00 N ATOM 88 CA ARG A 6 -3.081 -0.768 1.534 1.00 0.00 C ATOM 89 C ARG A 6 -4.256 -0.798 2.503 1.00 0.00 C ATOM 90 O ARG A 6 -4.134 -1.263 3.637 1.00 0.00 O ATOM 91 CB ARG A 6 -2.999 -2.070 0.715 1.00 0.00 C ATOM 92 CG ARG A 6 -3.364 -3.268 1.591 1.00 0.00 C ATOM 93 CD ARG A 6 -2.897 -4.557 0.907 1.00 0.00 C ATOM 94 NE ARG A 6 -3.155 -5.707 1.765 1.00 0.00 N ATOM 95 CZ ARG A 6 -3.212 -6.938 1.267 1.00 0.00 C ATOM 96 NH1 ARG A 6 -3.443 -7.951 2.056 1.00 0.00 N ATOM 97 NH2 ARG A 6 -3.035 -7.133 -0.011 1.00 0.00 N ATOM 0 H ARG A 6 -1.888 -0.659 3.259 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.245 0.065 0.851 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.675 -2.015 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.992 -2.195 0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -2.896 -3.173 2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.441 -3.299 1.754 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -3.415 -4.681 -0.044 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -1.832 -4.493 0.684 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.294 -5.564 2.765 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.580 -7.798 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.487 -8.896 1.674 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.853 -6.341 -0.627 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.079 -8.078 -0.394 1.00 0.00 H new ATOM 111 N PHE A 7 -5.384 -0.257 2.050 1.00 0.00 N ATOM 112 CA PHE A 7 -6.580 -0.175 2.869 1.00 0.00 C ATOM 113 C PHE A 7 -7.707 -1.036 2.288 1.00 0.00 C ATOM 114 O PHE A 7 -8.481 -0.560 1.458 1.00 0.00 O ATOM 115 CB PHE A 7 -7.033 1.282 2.900 1.00 0.00 C ATOM 116 CG PHE A 7 -6.553 1.944 4.169 1.00 0.00 C ATOM 117 CD1 PHE A 7 -7.199 1.683 5.384 1.00 0.00 C ATOM 118 CD2 PHE A 7 -5.463 2.825 4.129 1.00 0.00 C ATOM 119 CE1 PHE A 7 -6.756 2.302 6.558 1.00 0.00 C ATOM 120 CE2 PHE A 7 -5.021 3.444 5.305 1.00 0.00 C ATOM 121 CZ PHE A 7 -5.667 3.182 6.519 1.00 0.00 C ATOM 0 H PHE A 7 -5.490 0.132 1.113 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.354 -0.540 3.871 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -6.640 1.812 2.032 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.120 1.335 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.039 1.004 5.415 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.965 3.026 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.254 2.101 7.495 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.182 4.123 5.275 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.326 3.659 7.426 1.00 0.00 H new HETATM 131 N DPR A 8 -7.821 -2.278 2.703 1.00 0.00 N HETATM 132 CA DPR A 8 -8.878 -3.206 2.216 1.00 0.00 C HETATM 133 CB DPR A 8 -8.207 -4.569 2.352 1.00 0.00 C HETATM 134 CG DPR A 8 -7.286 -4.440 3.525 1.00 0.00 C HETATM 135 CD DPR A 8 -6.951 -2.951 3.682 1.00 0.00 C HETATM 136 C DPR A 8 -9.285 -2.938 0.760 1.00 0.00 C HETATM 137 O DPR A 8 -8.633 -3.420 -0.166 1.00 0.00 O HETATM 0 HG3 DPR A 8 -7.759 -4.825 4.429 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -6.379 -5.023 3.367 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -5.898 -2.756 3.478 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -7.149 -2.603 4.696 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -8.944 -5.356 2.515 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -7.658 -4.829 1.447 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.808 -3.106 2.775 1.00 0.00 H new ATOM 145 N PRO A 9 -10.343 -2.190 0.538 1.00 0.00 N ATOM 146 CA PRO A 9 -10.825 -1.876 -0.842 1.00 0.00 C ATOM 147 C PRO A 9 -9.815 -1.063 -1.640 1.00 0.00 C ATOM 148 O PRO A 9 -9.593 -1.312 -2.824 1.00 0.00 O ATOM 149 CB PRO A 9 -12.116 -1.080 -0.622 1.00 0.00 C ATOM 150 CG PRO A 9 -12.033 -0.558 0.774 1.00 0.00 C ATOM 151 CD PRO A 9 -11.197 -1.565 1.563 1.00 0.00 C ATOM 0 HA PRO A 9 -10.979 -2.784 -1.426 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -12.201 -0.265 -1.341 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.994 -1.713 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.571 0.429 0.793 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.027 -0.453 1.209 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.603 -1.075 2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.825 -2.301 2.064 1.00 0.00 H new ATOM 159 N LYS A 10 -9.210 -0.095 -0.977 1.00 0.00 N ATOM 160 CA LYS A 10 -8.219 0.759 -1.623 1.00 0.00 C ATOM 161 C LYS A 10 -6.864 0.069 -1.651 1.00 0.00 C ATOM 162 O LYS A 10 -6.609 -0.857 -0.880 1.00 0.00 O ATOM 163 CB LYS A 10 -8.104 2.092 -0.874 1.00 0.00 C ATOM 164 CG LYS A 10 -6.862 2.859 -1.355 1.00 0.00 C ATOM 165 CD LYS A 10 -6.904 4.308 -0.851 1.00 0.00 C ATOM 166 CE LYS A 10 -6.538 4.354 0.637 1.00 0.00 C ATOM 167 NZ LYS A 10 -6.404 5.774 1.068 1.00 0.00 N ATOM 0 H LYS A 10 -9.383 0.122 0.004 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.541 0.949 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.999 2.691 -1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.037 1.911 0.199 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.959 2.367 -0.993 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.817 2.846 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.209 4.922 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.899 4.726 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.305 3.854 1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.604 3.820 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.156 5.808 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.657 6.237 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.306 6.269 0.916 1.00 0.00 H new ATOM 181 N ILE A 11 -5.994 0.538 -2.539 1.00 0.00 N ATOM 182 CA ILE A 11 -4.658 -0.033 -2.660 1.00 0.00 C ATOM 183 C ILE A 11 -3.609 1.071 -2.711 1.00 0.00 C ATOM 184 O ILE A 11 -3.657 1.956 -3.566 1.00 0.00 O ATOM 185 CB ILE A 11 -4.563 -0.911 -3.913 1.00 0.00 C ATOM 186 CG1 ILE A 11 -3.162 -1.540 -4.024 1.00 0.00 C ATOM 187 CG2 ILE A 11 -4.826 -0.054 -5.153 1.00 0.00 C ATOM 188 CD1 ILE A 11 -2.878 -2.422 -2.803 1.00 0.00 C ATOM 0 H ILE A 11 -6.188 1.306 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.469 -0.653 -1.784 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.305 -1.706 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.094 -2.135 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.408 -0.756 -4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.759 -0.676 -6.046 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.823 0.383 -5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.084 0.742 -5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.884 -2.861 -2.894 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.926 -1.817 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.622 -3.217 -2.747 1.00 0.00 H new ATOM 200 N ILE A 12 -2.652 0.987 -1.797 1.00 0.00 N ATOM 201 CA ILE A 12 -1.566 1.954 -1.722 1.00 0.00 C ATOM 202 C ILE A 12 -0.245 1.199 -1.834 1.00 0.00 C ATOM 203 O ILE A 12 0.656 1.345 -1.005 1.00 0.00 O ATOM 204 CB ILE A 12 -1.629 2.723 -0.391 1.00 0.00 C ATOM 205 CG1 ILE A 12 -2.998 3.421 -0.244 1.00 0.00 C ATOM 206 CG2 ILE A 12 -0.508 3.767 -0.330 1.00 0.00 C ATOM 207 CD1 ILE A 12 -3.262 4.371 -1.423 1.00 0.00 C ATOM 0 H ILE A 12 -2.606 0.252 -1.091 1.00 0.00 H new ATOM 0 HA ILE A 12 -1.653 2.677 -2.533 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.501 2.014 0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.788 2.672 -0.192 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.027 3.980 0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.563 4.305 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.458 3.268 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.621 4.471 -1.154 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.233 4.849 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.484 5.133 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.257 3.805 -2.354 1.00 0.00 H new ATOM 219 N PHE A 13 -0.162 0.367 -2.866 1.00 0.00 N ATOM 220 CA PHE A 13 1.022 -0.446 -3.105 1.00 0.00 C ATOM 221 C PHE A 13 2.060 0.344 -3.897 1.00 0.00 C ATOM 222 O PHE A 13 3.254 0.053 -3.838 1.00 0.00 O ATOM 223 CB PHE A 13 0.618 -1.703 -3.880 1.00 0.00 C ATOM 224 CG PHE A 13 1.467 -2.875 -3.447 1.00 0.00 C ATOM 225 CD1 PHE A 13 2.800 -2.968 -3.866 1.00 0.00 C ATOM 226 CD2 PHE A 13 0.917 -3.873 -2.632 1.00 0.00 C ATOM 227 CE1 PHE A 13 3.583 -4.058 -3.467 1.00 0.00 C ATOM 228 CE2 PHE A 13 1.702 -4.961 -2.233 1.00 0.00 C ATOM 229 CZ PHE A 13 3.035 -5.054 -2.651 1.00 0.00 C ATOM 0 H PHE A 13 -0.905 0.238 -3.553 1.00 0.00 H new ATOM 0 HA PHE A 13 1.463 -0.729 -2.149 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.435 -1.923 -3.707 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.737 -1.534 -4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 13 3.224 -2.200 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.112 -3.803 -2.312 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.611 -4.130 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.279 -5.729 -1.602 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.640 -5.894 -2.344 1.00 0.00 H new ATOM 239 N ASN A 14 1.596 1.349 -4.633 1.00 0.00 N ATOM 240 CA ASN A 14 2.495 2.179 -5.430 1.00 0.00 C ATOM 241 C ASN A 14 3.547 2.831 -4.539 1.00 0.00 C ATOM 242 O ASN A 14 4.498 2.179 -4.108 1.00 0.00 O ATOM 243 CB ASN A 14 1.697 3.263 -6.157 1.00 0.00 C ATOM 244 CG ASN A 14 2.644 4.189 -6.913 1.00 0.00 C ATOM 245 OD1 ASN A 14 3.764 3.715 -7.386 1.00 0.00 O flip ATOM 246 ND2 ASN A 14 2.355 5.374 -7.077 1.00 0.00 N flip ATOM 0 H ASN A 14 0.611 1.608 -4.695 1.00 0.00 H new ATOM 0 HA ASN A 14 2.995 1.545 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.993 2.804 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.110 3.837 -5.440 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.479 5.741 -6.706 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.992 5.989 -7.584 1.00 0.00 H new ATOM 253 N GLN A 15 3.370 4.119 -4.265 1.00 0.00 N ATOM 254 CA GLN A 15 4.312 4.846 -3.421 1.00 0.00 C ATOM 255 C GLN A 15 4.494 4.129 -2.088 1.00 0.00 C ATOM 256 O GLN A 15 3.524 3.872 -1.375 1.00 0.00 O ATOM 257 CB GLN A 15 3.804 6.268 -3.173 1.00 0.00 C ATOM 258 CG GLN A 15 3.419 6.918 -4.505 1.00 0.00 C ATOM 259 CD GLN A 15 4.612 6.912 -5.453 1.00 0.00 C ATOM 260 OE1 GLN A 15 4.893 5.830 -6.127 1.00 0.00 O flip ATOM 261 NE2 GLN A 15 5.308 7.919 -5.583 1.00 0.00 N flip ATOM 0 H GLN A 15 2.590 4.677 -4.611 1.00 0.00 H new ATOM 0 HA GLN A 15 5.273 4.890 -3.934 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.942 6.246 -2.506 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.575 6.859 -2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.585 6.379 -4.954 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.084 7.941 -4.336 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.087 8.763 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.106 7.909 -6.218 1.00 0.00 H new ATOM 270 N ARG A 16 5.740 3.804 -1.760 1.00 0.00 N ATOM 271 CA ARG A 16 6.032 3.112 -0.510 1.00 0.00 C ATOM 272 C ARG A 16 7.537 3.041 -0.270 1.00 0.00 C ATOM 273 O ARG A 16 8.331 3.203 -1.198 1.00 0.00 O ATOM 274 CB ARG A 16 5.454 1.695 -0.552 1.00 0.00 C ATOM 275 CG ARG A 16 6.063 0.927 -1.729 1.00 0.00 C ATOM 276 CD ARG A 16 7.124 -0.048 -1.215 1.00 0.00 C ATOM 277 NE ARG A 16 6.489 -1.218 -0.620 1.00 0.00 N ATOM 278 CZ ARG A 16 7.170 -2.342 -0.419 1.00 0.00 C ATOM 279 NH1 ARG A 16 6.579 -3.376 0.114 1.00 0.00 N ATOM 280 NH2 ARG A 16 8.429 -2.410 -0.756 1.00 0.00 N ATOM 0 H ARG A 16 6.557 4.006 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 16 5.573 3.670 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.667 1.177 0.383 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.370 1.736 -0.654 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.284 0.383 -2.263 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.509 1.624 -2.439 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.773 -0.355 -2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.755 0.447 -0.477 1.00 0.00 H new ATOM 0 HE ARG A 16 5.505 -1.173 -0.353 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.595 -3.322 0.376 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.101 -4.238 0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.890 -1.601 -1.173 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.952 -3.272 -0.602 1.00 0.00 H new TER 294 ARG A 16