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+ 174:sc= -0.193 (180deg=-0.215) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -1.22! C(o=-2.3!,f=-1.2!) USER MOD Single : A 15 GLN : amide:sc= -0.407 X(o=-0.41,f=-0.083) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.443 2.693 -0.227 1.00 0.00 N ATOM 2 CA GLY A 1 7.583 3.413 1.035 1.00 0.00 C ATOM 3 C GLY A 1 7.765 2.443 2.197 1.00 0.00 C ATOM 4 O GLY A 1 8.884 2.044 2.516 1.00 0.00 O ATOM 0 H2 GLY A 1 7.219 3.366 -0.988 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.438 4.087 0.981 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.701 4.030 1.206 1.00 0.00 H new ATOM 8 N SER A 2 6.656 2.066 2.826 1.00 0.00 N ATOM 9 CA SER A 2 6.705 1.141 3.952 1.00 0.00 C ATOM 10 C SER A 2 6.308 -0.263 3.509 1.00 0.00 C ATOM 11 O SER A 2 5.330 -0.826 4.000 1.00 0.00 O ATOM 12 CB SER A 2 5.761 1.615 5.058 1.00 0.00 C ATOM 13 OG SER A 2 5.840 3.029 5.169 1.00 0.00 O ATOM 0 H SER A 2 5.719 2.384 2.577 1.00 0.00 H new ATOM 0 HA SER A 2 7.726 1.115 4.333 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.738 1.313 4.833 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.030 1.149 6.006 1.00 0.00 H new ATOM 0 HG SER A 2 5.235 3.336 5.876 1.00 0.00 H new ATOM 19 N ARG A 3 7.072 -0.822 2.576 1.00 0.00 N ATOM 20 CA ARG A 3 6.790 -2.162 2.074 1.00 0.00 C ATOM 21 C ARG A 3 5.404 -2.210 1.436 1.00 0.00 C ATOM 22 O ARG A 3 5.079 -1.391 0.578 1.00 0.00 O ATOM 23 CB ARG A 3 6.873 -3.175 3.223 1.00 0.00 C ATOM 24 CG ARG A 3 6.982 -4.600 2.666 1.00 0.00 C ATOM 25 CD ARG A 3 6.336 -5.581 3.649 1.00 0.00 C ATOM 26 NE ARG A 3 4.888 -5.605 3.473 1.00 0.00 N ATOM 27 CZ ARG A 3 4.163 -6.633 3.900 1.00 0.00 C ATOM 28 NH1 ARG A 3 2.867 -6.628 3.743 1.00 0.00 N ATOM 29 NH2 ARG A 3 4.746 -7.648 4.477 1.00 0.00 N ATOM 0 H ARG A 3 7.885 -0.372 2.155 1.00 0.00 H new ATOM 0 HA ARG A 3 7.531 -2.417 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.737 -2.955 3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.990 -3.091 3.856 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.489 -4.662 1.696 1.00 0.00 H new ATOM 0 HG3 ARG A 3 8.028 -4.862 2.509 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.743 -6.580 3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.579 -5.292 4.672 1.00 0.00 H new ATOM 0 HE ARG A 3 4.425 -4.820 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 3 2.411 -5.835 3.292 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.311 -7.417 4.071 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.759 -7.652 4.600 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.189 -8.437 4.805 1.00 0.00 H new ATOM 43 N ARG A 4 4.593 -3.173 1.863 1.00 0.00 N ATOM 44 CA ARG A 4 3.242 -3.322 1.328 1.00 0.00 C ATOM 45 C ARG A 4 2.215 -2.849 2.352 1.00 0.00 C ATOM 46 O ARG A 4 1.870 -3.579 3.284 1.00 0.00 O ATOM 47 CB ARG A 4 2.984 -4.799 0.970 1.00 0.00 C ATOM 48 CG ARG A 4 2.510 -4.957 -0.487 1.00 0.00 C ATOM 49 CD ARG A 4 1.296 -4.060 -0.747 1.00 0.00 C ATOM 50 NE ARG A 4 0.307 -4.778 -1.543 1.00 0.00 N ATOM 51 CZ ARG A 4 0.571 -5.152 -2.790 1.00 0.00 C ATOM 52 NH1 ARG A 4 -0.328 -5.795 -3.483 1.00 0.00 N ATOM 53 NH2 ARG A 4 1.730 -4.875 -3.322 1.00 0.00 N ATOM 0 H ARG A 4 4.845 -3.859 2.574 1.00 0.00 H new ATOM 0 HA ARG A 4 3.148 -2.713 0.429 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.897 -5.375 1.120 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.233 -5.211 1.644 1.00 0.00 H new ATOM 0 HG2 ARG A 4 3.318 -4.696 -1.171 1.00 0.00 H new ATOM 0 HG3 ARG A 4 2.251 -5.998 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 4 0.855 -3.747 0.200 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.607 -3.155 -1.269 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.602 -4.997 -1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -1.234 -6.011 -3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -0.125 -6.082 -4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 4 2.433 -4.372 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 4 1.933 -5.162 -4.279 1.00 0.00 H new ATOM 67 N PHE A 5 1.728 -1.625 2.172 1.00 0.00 N ATOM 68 CA PHE A 5 0.738 -1.061 3.080 1.00 0.00 C ATOM 69 C PHE A 5 -0.633 -1.053 2.399 1.00 0.00 C ATOM 70 O PHE A 5 -1.337 -0.043 2.366 1.00 0.00 O ATOM 71 CB PHE A 5 1.172 0.358 3.480 1.00 0.00 C ATOM 72 CG PHE A 5 0.980 0.573 4.965 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.138 1.597 5.424 1.00 0.00 C ATOM 74 CD2 PHE A 5 1.660 -0.236 5.884 1.00 0.00 C ATOM 75 CE1 PHE A 5 -0.022 1.806 6.800 1.00 0.00 C ATOM 76 CE2 PHE A 5 1.496 -0.027 7.258 1.00 0.00 C ATOM 77 CZ PHE A 5 0.656 0.993 7.716 1.00 0.00 C ATOM 0 H PHE A 5 2.002 -1.007 1.408 1.00 0.00 H new ATOM 0 HA PHE A 5 0.664 -1.666 3.983 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.218 0.512 3.217 1.00 0.00 H new ATOM 0 HB3 PHE A 5 0.591 1.093 2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -0.386 2.223 4.717 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.312 -1.022 5.532 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.669 2.595 7.154 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.019 -0.654 7.965 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.530 1.154 8.777 1.00 0.00 H new ATOM 87 N ARG A 6 -0.999 -2.202 1.844 1.00 0.00 N ATOM 88 CA ARG A 6 -2.276 -2.339 1.155 1.00 0.00 C ATOM 89 C ARG A 6 -3.423 -2.371 2.158 1.00 0.00 C ATOM 90 O ARG A 6 -3.418 -3.172 3.094 1.00 0.00 O ATOM 91 CB ARG A 6 -2.268 -3.626 0.327 1.00 0.00 C ATOM 92 CG ARG A 6 -3.546 -3.724 -0.514 1.00 0.00 C ATOM 93 CD ARG A 6 -3.241 -4.452 -1.831 1.00 0.00 C ATOM 94 NE ARG A 6 -2.879 -5.838 -1.564 1.00 0.00 N ATOM 95 CZ ARG A 6 -3.045 -6.783 -2.484 1.00 0.00 C ATOM 96 NH1 ARG A 6 -2.717 -8.018 -2.217 1.00 0.00 N ATOM 97 NH2 ARG A 6 -3.534 -6.477 -3.654 1.00 0.00 N ATOM 0 H ARG A 6 -0.432 -3.050 1.857 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.420 -1.482 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.394 -3.643 -0.324 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.191 -4.491 0.986 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -4.317 -4.260 0.039 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -3.936 -2.727 -0.720 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -4.111 -4.415 -2.486 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.427 -3.949 -2.353 1.00 0.00 H new ATOM 0 HE ARG A 6 -2.491 -6.088 -0.654 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.334 -8.258 -1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.844 -8.743 -2.923 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.789 -5.512 -3.864 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.661 -7.203 -4.359 1.00 0.00 H new ATOM 111 N PHE A 7 -4.397 -1.483 1.966 1.00 0.00 N ATOM 112 CA PHE A 7 -5.538 -1.398 2.863 1.00 0.00 C ATOM 113 C PHE A 7 -6.848 -1.683 2.116 1.00 0.00 C ATOM 114 O PHE A 7 -7.530 -0.759 1.671 1.00 0.00 O ATOM 115 CB PHE A 7 -5.583 0.009 3.460 1.00 0.00 C ATOM 116 CG PHE A 7 -5.054 -0.005 4.874 1.00 0.00 C ATOM 117 CD1 PHE A 7 -3.938 0.774 5.210 1.00 0.00 C ATOM 118 CD2 PHE A 7 -5.680 -0.790 5.852 1.00 0.00 C ATOM 119 CE1 PHE A 7 -3.452 0.764 6.523 1.00 0.00 C ATOM 120 CE2 PHE A 7 -5.191 -0.798 7.163 1.00 0.00 C ATOM 121 CZ PHE A 7 -4.078 -0.022 7.499 1.00 0.00 C ATOM 0 H PHE A 7 -4.415 -0.814 1.196 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.430 -2.144 3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.990 0.690 2.849 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -6.607 0.383 3.451 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.454 1.380 4.458 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.541 -1.389 5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -2.593 1.364 6.784 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.674 -1.404 7.916 1.00 0.00 H new ATOM 0 HZ PHE A 7 -3.701 -0.028 8.511 1.00 0.00 H new HETATM 131 N DPR A 8 -7.215 -2.933 1.973 1.00 0.00 N HETATM 132 CA DPR A 8 -8.470 -3.326 1.277 1.00 0.00 C HETATM 133 CB DPR A 8 -8.175 -4.754 0.823 1.00 0.00 C HETATM 134 CG DPR A 8 -7.216 -5.303 1.831 1.00 0.00 C HETATM 135 CD DPR A 8 -6.475 -4.113 2.453 1.00 0.00 C HETATM 136 C DPR A 8 -8.774 -2.419 0.072 1.00 0.00 C HETATM 137 O DPR A 8 -7.878 -2.133 -0.722 1.00 0.00 O HETATM 0 HG3 DPR A 8 -7.746 -5.868 2.597 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -6.513 -5.989 1.358 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -5.432 -4.084 2.137 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -6.477 -4.168 3.542 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -9.087 -5.350 0.784 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -7.743 -4.766 -0.178 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.348 -3.241 1.918 1.00 0.00 H new ATOM 145 N PRO A 9 -10.002 -1.962 -0.093 1.00 0.00 N ATOM 146 CA PRO A 9 -10.373 -1.082 -1.239 1.00 0.00 C ATOM 147 C PRO A 9 -9.362 0.037 -1.451 1.00 0.00 C ATOM 148 O PRO A 9 -9.372 0.715 -2.478 1.00 0.00 O ATOM 149 CB PRO A 9 -11.737 -0.525 -0.841 1.00 0.00 C ATOM 150 CG PRO A 9 -12.333 -1.544 0.065 1.00 0.00 C ATOM 151 CD PRO A 9 -11.165 -2.225 0.776 1.00 0.00 C ATOM 0 HA PRO A 9 -10.393 -1.624 -2.185 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.637 0.437 -0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.365 -0.363 -1.717 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.007 -1.078 0.784 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.920 -2.269 -0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.015 -1.816 1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.340 -3.295 0.893 1.00 0.00 H new ATOM 159 N LYS A 10 -8.487 0.210 -0.475 1.00 0.00 N ATOM 160 CA LYS A 10 -7.454 1.235 -0.553 1.00 0.00 C ATOM 161 C LYS A 10 -6.125 0.589 -0.925 1.00 0.00 C ATOM 162 O LYS A 10 -5.926 -0.605 -0.705 1.00 0.00 O ATOM 163 CB LYS A 10 -7.329 1.956 0.794 1.00 0.00 C ATOM 164 CG LYS A 10 -6.901 3.414 0.581 1.00 0.00 C ATOM 165 CD LYS A 10 -6.887 4.157 1.927 1.00 0.00 C ATOM 166 CE LYS A 10 -5.523 3.989 2.604 1.00 0.00 C ATOM 167 NZ LYS A 10 -5.629 4.390 4.036 1.00 0.00 N ATOM 0 H LYS A 10 -8.469 -0.344 0.381 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.726 1.964 -1.317 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.282 1.923 1.321 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.600 1.444 1.422 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.911 3.449 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.586 3.906 -0.109 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.096 5.215 1.770 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.674 3.769 2.574 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.192 2.953 2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.776 4.600 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -4.704 4.277 4.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.927 5.385 4.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.330 3.789 4.514 1.00 0.00 H new ATOM 181 N ILE A 11 -5.224 1.373 -1.503 1.00 0.00 N ATOM 182 CA ILE A 11 -3.929 0.844 -1.913 1.00 0.00 C ATOM 183 C ILE A 11 -2.815 1.846 -1.627 1.00 0.00 C ATOM 184 O ILE A 11 -2.636 2.811 -2.370 1.00 0.00 O ATOM 185 CB ILE A 11 -3.965 0.514 -3.412 1.00 0.00 C ATOM 186 CG1 ILE A 11 -2.645 -0.143 -3.849 1.00 0.00 C ATOM 187 CG2 ILE A 11 -4.173 1.799 -4.214 1.00 0.00 C ATOM 188 CD1 ILE A 11 -2.484 -1.507 -3.171 1.00 0.00 C ATOM 0 H ILE A 11 -5.362 2.365 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.725 -0.062 -1.342 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.787 -0.178 -3.597 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.631 -0.263 -4.932 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.806 0.502 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.198 1.564 -5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.116 2.262 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.353 2.489 -4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.546 -1.962 -3.488 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.477 -1.377 -2.089 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.315 -2.154 -3.453 1.00 0.00 H new ATOM 200 N ILE A 12 -2.051 1.593 -0.564 1.00 0.00 N ATOM 201 CA ILE A 12 -0.939 2.470 -0.213 1.00 0.00 C ATOM 202 C ILE A 12 0.368 1.696 -0.343 1.00 0.00 C ATOM 203 O ILE A 12 0.921 1.185 0.633 1.00 0.00 O ATOM 204 CB ILE A 12 -1.104 3.022 1.210 1.00 0.00 C ATOM 205 CG1 ILE A 12 -2.444 3.768 1.350 1.00 0.00 C ATOM 206 CG2 ILE A 12 0.050 3.978 1.526 1.00 0.00 C ATOM 207 CD1 ILE A 12 -2.596 4.825 0.254 1.00 0.00 C ATOM 0 H ILE A 12 -2.181 0.797 0.061 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.925 3.320 -0.895 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.094 2.188 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.268 3.057 1.293 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.500 4.243 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.068 4.369 2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.997 3.443 1.453 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.044 4.803 0.814 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.550 5.339 0.374 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.783 5.547 0.330 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.563 4.343 -0.723 1.00 0.00 H new ATOM 219 N PHE A 13 0.838 1.610 -1.578 1.00 0.00 N ATOM 220 CA PHE A 13 2.067 0.902 -1.891 1.00 0.00 C ATOM 221 C PHE A 13 2.489 1.269 -3.310 1.00 0.00 C ATOM 222 O PHE A 13 3.655 1.159 -3.683 1.00 0.00 O ATOM 223 CB PHE A 13 1.841 -0.613 -1.748 1.00 0.00 C ATOM 224 CG PHE A 13 2.205 -1.342 -3.023 1.00 0.00 C ATOM 225 CD1 PHE A 13 3.540 -1.408 -3.440 1.00 0.00 C ATOM 226 CD2 PHE A 13 1.205 -1.965 -3.782 1.00 0.00 C ATOM 227 CE1 PHE A 13 3.875 -2.090 -4.615 1.00 0.00 C ATOM 228 CE2 PHE A 13 1.540 -2.648 -4.957 1.00 0.00 C ATOM 229 CZ PHE A 13 2.875 -2.709 -5.374 1.00 0.00 C ATOM 0 H PHE A 13 0.379 2.028 -2.388 1.00 0.00 H new ATOM 0 HA PHE A 13 2.862 1.187 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.441 -0.997 -0.922 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.797 -0.806 -1.501 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.312 -0.932 -2.854 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.175 -1.918 -3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.905 -2.139 -4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.769 -3.128 -5.542 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.133 -3.234 -6.282 1.00 0.00 H new ATOM 239 N ASN A 14 1.517 1.748 -4.079 1.00 0.00 N ATOM 240 CA ASN A 14 1.766 2.172 -5.452 1.00 0.00 C ATOM 241 C ASN A 14 3.094 2.921 -5.544 1.00 0.00 C ATOM 242 O ASN A 14 3.884 2.690 -6.460 1.00 0.00 O ATOM 243 CB ASN A 14 0.625 3.083 -5.915 1.00 0.00 C ATOM 244 CG ASN A 14 1.139 4.108 -6.924 1.00 0.00 C ATOM 245 OD1 ASN A 14 2.007 3.747 -7.833 1.00 0.00 O flip ATOM 246 ND2 ASN A 14 0.740 5.271 -6.884 1.00 0.00 N flip ATOM 0 H ASN A 14 0.549 1.852 -3.775 1.00 0.00 H new ATOM 0 HA ASN A 14 1.817 1.292 -6.093 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -0.167 2.485 -6.366 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.189 3.595 -5.057 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.063 5.554 -6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.086 5.952 -7.559 1.00 0.00 H new ATOM 253 N GLN A 15 3.331 3.816 -4.590 1.00 0.00 N ATOM 254 CA GLN A 15 4.567 4.593 -4.571 1.00 0.00 C ATOM 255 C GLN A 15 5.513 4.067 -3.498 1.00 0.00 C ATOM 256 O GLN A 15 6.205 4.839 -2.834 1.00 0.00 O ATOM 257 CB GLN A 15 4.253 6.066 -4.299 1.00 0.00 C ATOM 258 CG GLN A 15 5.415 6.933 -4.787 1.00 0.00 C ATOM 259 CD GLN A 15 5.428 8.259 -4.034 1.00 0.00 C ATOM 260 OE1 GLN A 15 5.530 9.321 -4.646 1.00 0.00 O ATOM 261 NE2 GLN A 15 5.330 8.260 -2.731 1.00 0.00 N ATOM 0 H GLN A 15 2.689 4.021 -3.825 1.00 0.00 H new ATOM 0 HA GLN A 15 5.050 4.498 -5.544 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.333 6.353 -4.808 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.090 6.223 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.359 6.410 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.320 7.114 -5.858 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.245 7.378 -2.225 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.338 9.143 -2.220 1.00 0.00 H new ATOM 270 N ARG A 16 5.537 2.745 -3.336 1.00 0.00 N ATOM 271 CA ARG A 16 6.400 2.116 -2.341 1.00 0.00 C ATOM 272 C ARG A 16 6.431 2.938 -1.056 1.00 0.00 C ATOM 273 O ARG A 16 5.556 3.772 -0.823 1.00 0.00 O ATOM 274 CB ARG A 16 7.824 1.968 -2.889 1.00 0.00 C ATOM 275 CG ARG A 16 7.827 2.175 -4.407 1.00 0.00 C ATOM 276 CD ARG A 16 9.159 1.693 -4.986 1.00 0.00 C ATOM 277 NE ARG A 16 10.154 1.563 -3.927 1.00 0.00 N ATOM 278 CZ ARG A 16 10.873 2.608 -3.528 1.00 0.00 C ATOM 279 NH1 ARG A 16 11.758 2.466 -2.580 1.00 0.00 N ATOM 280 NH2 ARG A 16 10.693 3.775 -4.084 1.00 0.00 N ATOM 0 H ARG A 16 4.971 2.093 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 16 5.995 1.129 -2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 16 8.483 2.695 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.214 0.979 -2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.001 1.627 -4.861 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.677 3.229 -4.641 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.021 0.733 -5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.511 2.396 -5.741 1.00 0.00 H new ATOM 0 HE ARG A 16 10.301 0.655 -3.485 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.898 1.554 -2.145 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.310 3.267 -2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.001 3.886 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.245 4.576 -3.778 1.00 0.00 H new TER 294 ARG A 16