USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 138 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+ -162:sc= -0.0572 (180deg=-0.191) USER MOD Single : A 2 SER OG : rot 78:sc= 0.335 USER MOD Single : A 10 LYS NZ :NH3+ -114:sc= -0.447 (180deg=-2.38!) USER MOD Single : A 14 ASN : amide:sc= -2.78! C(o=-2.8!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.668 0.841 -1.075 1.00 0.00 N ATOM 2 CA GLY A 1 10.639 2.253 -0.715 1.00 0.00 C ATOM 3 C GLY A 1 9.318 2.613 -0.058 1.00 0.00 C ATOM 4 O GLY A 1 9.201 2.633 1.168 1.00 0.00 O ATOM 0 H2 GLY A 1 11.652 0.543 -1.233 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.462 2.477 -0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.786 2.864 -1.606 1.00 0.00 H new ATOM 8 N SER A 2 8.328 2.893 -0.888 1.00 0.00 N ATOM 9 CA SER A 2 7.003 3.251 -0.407 1.00 0.00 C ATOM 10 C SER A 2 6.620 2.400 0.799 1.00 0.00 C ATOM 11 O SER A 2 7.177 1.323 1.012 1.00 0.00 O ATOM 12 CB SER A 2 5.987 3.047 -1.526 1.00 0.00 C ATOM 13 OG SER A 2 6.674 2.744 -2.733 1.00 0.00 O ATOM 0 H SER A 2 8.417 2.879 -1.904 1.00 0.00 H new ATOM 0 HA SER A 2 7.010 4.297 -0.102 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.304 2.237 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.383 3.945 -1.653 1.00 0.00 H new ATOM 0 HG SER A 2 6.962 1.807 -2.719 1.00 0.00 H new ATOM 19 N ARG A 3 5.666 2.890 1.585 1.00 0.00 N ATOM 20 CA ARG A 3 5.217 2.167 2.769 1.00 0.00 C ATOM 21 C ARG A 3 3.694 2.177 2.857 1.00 0.00 C ATOM 22 O ARG A 3 3.125 2.562 3.878 1.00 0.00 O ATOM 23 CB ARG A 3 5.808 2.808 4.026 1.00 0.00 C ATOM 24 CG ARG A 3 5.399 1.995 5.257 1.00 0.00 C ATOM 25 CD ARG A 3 6.649 1.568 6.026 1.00 0.00 C ATOM 26 NE ARG A 3 7.504 0.743 5.181 1.00 0.00 N ATOM 27 CZ ARG A 3 7.184 -0.517 4.901 1.00 0.00 C ATOM 28 NH1 ARG A 3 7.964 -1.235 4.140 1.00 0.00 N ATOM 29 NH2 ARG A 3 6.090 -1.036 5.387 1.00 0.00 N ATOM 0 H ARG A 3 5.192 3.779 1.425 1.00 0.00 H new ATOM 0 HA ARG A 3 5.558 1.134 2.693 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.895 2.849 3.949 1.00 0.00 H new ATOM 0 HB3 ARG A 3 5.456 3.835 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.750 2.590 5.899 1.00 0.00 H new ATOM 0 HG3 ARG A 3 4.829 1.117 4.953 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.197 2.449 6.361 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.363 1.012 6.919 1.00 0.00 H new ATOM 0 HE ARG A 3 8.362 1.139 4.798 1.00 0.00 H new ATOM 0 HH11 ARG A 3 8.819 -0.830 3.760 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.718 -2.201 3.925 1.00 0.00 H new ATOM 0 HH21 ARG A 3 5.480 -0.475 5.982 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.845 -2.002 5.172 1.00 0.00 H new ATOM 43 N GLY A 4 3.040 1.748 1.783 1.00 0.00 N ATOM 44 CA GLY A 4 1.583 1.710 1.753 1.00 0.00 C ATOM 45 C GLY A 4 1.053 2.110 0.381 1.00 0.00 C ATOM 46 O GLY A 4 1.484 3.108 -0.195 1.00 0.00 O ATOM 0 H GLY A 4 3.492 1.424 0.928 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.237 0.707 2.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.183 2.383 2.511 1.00 0.00 H new ATOM 50 N PHE A 5 0.114 1.320 -0.135 1.00 0.00 N ATOM 51 CA PHE A 5 -0.478 1.594 -1.440 1.00 0.00 C ATOM 52 C PHE A 5 -2.000 1.581 -1.346 1.00 0.00 C ATOM 53 O PHE A 5 -2.581 0.737 -0.663 1.00 0.00 O ATOM 54 CB PHE A 5 -0.021 0.543 -2.452 1.00 0.00 C ATOM 55 CG PHE A 5 1.396 0.836 -2.878 1.00 0.00 C ATOM 56 CD1 PHE A 5 2.463 0.192 -2.243 1.00 0.00 C ATOM 57 CD2 PHE A 5 1.643 1.751 -3.909 1.00 0.00 C ATOM 58 CE1 PHE A 5 3.779 0.463 -2.639 1.00 0.00 C ATOM 59 CE2 PHE A 5 2.957 2.022 -4.305 1.00 0.00 C ATOM 60 CZ PHE A 5 4.026 1.378 -3.669 1.00 0.00 C ATOM 0 H PHE A 5 -0.251 0.489 0.329 1.00 0.00 H new ATOM 0 HA PHE A 5 -0.151 2.580 -1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -0.081 -0.452 -2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -0.681 0.547 -3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.272 -0.514 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.818 2.248 -4.399 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.603 -0.034 -2.149 1.00 0.00 H new ATOM 0 HE2 PHE A 5 3.147 2.727 -5.101 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.041 1.587 -3.973 1.00 0.00 H new ATOM 70 N ARG A 6 -2.640 2.519 -2.034 1.00 0.00 N ATOM 71 CA ARG A 6 -4.093 2.600 -2.016 1.00 0.00 C ATOM 72 C ARG A 6 -4.702 1.442 -2.803 1.00 0.00 C ATOM 73 O ARG A 6 -4.898 1.532 -4.016 1.00 0.00 O ATOM 74 CB ARG A 6 -4.547 3.940 -2.606 1.00 0.00 C ATOM 75 CG ARG A 6 -5.303 4.735 -1.541 1.00 0.00 C ATOM 76 CD ARG A 6 -5.825 6.039 -2.149 1.00 0.00 C ATOM 77 NE ARG A 6 -6.361 6.903 -1.104 1.00 0.00 N ATOM 78 CZ ARG A 6 -7.056 7.996 -1.404 1.00 0.00 C ATOM 79 NH1 ARG A 6 -7.525 8.754 -0.451 1.00 0.00 N ATOM 80 NH2 ARG A 6 -7.267 8.312 -2.653 1.00 0.00 N ATOM 0 H ARG A 6 -2.180 3.227 -2.606 1.00 0.00 H new ATOM 0 HA ARG A 6 -4.436 2.532 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.684 4.507 -2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.187 3.770 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.133 4.145 -1.153 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.645 4.952 -0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.020 6.551 -2.676 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.600 5.821 -2.884 1.00 0.00 H new ATOM 0 HE ARG A 6 -6.200 6.665 -0.125 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -7.358 8.508 0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.058 9.592 -0.682 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -6.899 7.720 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.800 9.150 -2.884 1.00 0.00 H new ATOM 94 N PHE A 7 -4.990 0.350 -2.099 1.00 0.00 N ATOM 95 CA PHE A 7 -5.572 -0.829 -2.721 1.00 0.00 C ATOM 96 C PHE A 7 -6.937 -1.131 -2.093 1.00 0.00 C ATOM 97 O PHE A 7 -7.024 -1.857 -1.102 1.00 0.00 O ATOM 98 CB PHE A 7 -4.632 -2.021 -2.520 1.00 0.00 C ATOM 99 CG PHE A 7 -4.075 -2.453 -3.855 1.00 0.00 C ATOM 100 CD1 PHE A 7 -2.780 -2.070 -4.231 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.850 -3.237 -4.717 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.264 -2.471 -5.469 1.00 0.00 C ATOM 103 CE2 PHE A 7 -4.332 -3.639 -5.955 1.00 0.00 C ATOM 104 CZ PHE A 7 -3.039 -3.256 -6.330 1.00 0.00 C ATOM 0 H PHE A 7 -4.828 0.260 -1.096 1.00 0.00 H new ATOM 0 HA PHE A 7 -5.708 -0.647 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -3.820 -1.748 -1.846 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.169 -2.847 -2.054 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -2.181 -1.466 -3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.848 -3.532 -4.428 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.267 -2.174 -5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.930 -4.244 -6.620 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.639 -3.566 -7.284 1.00 0.00 H new HETATM 114 N DPR A 8 -8.000 -0.578 -2.624 1.00 0.00 N HETATM 115 CA DPR A 8 -9.362 -0.807 -2.068 1.00 0.00 C HETATM 116 CB DPR A 8 -10.298 -0.175 -3.100 1.00 0.00 C HETATM 117 CG DPR A 8 -9.470 0.835 -3.819 1.00 0.00 C HETATM 118 CD DPR A 8 -8.031 0.319 -3.791 1.00 0.00 C HETATM 119 C DPR A 8 -9.513 -0.136 -0.702 1.00 0.00 C HETATM 120 O DPR A 8 -8.824 0.844 -0.415 1.00 0.00 O HETATM 0 HG3 DPR A 8 -9.817 0.961 -4.845 1.00 0.00 H new HETATM 0 HG2 DPR A 8 -9.542 1.810 -3.336 1.00 0.00 H new HETATM 0 HD3 DPR A 8 -7.316 1.135 -3.687 1.00 0.00 H new HETATM 0 HD2 DPR A 8 -7.779 -0.211 -4.709 1.00 0.00 H new HETATM 0 HB3 DPR A 8 -10.688 -0.925 -3.788 1.00 0.00 H new HETATM 0 HB2 DPR A 8 -11.157 0.292 -2.618 1.00 0.00 H new HETATM 0 HA DPR A 8 -9.577 -1.863 -1.905 1.00 0.00 H new ATOM 128 N PRO A 9 -10.377 -0.631 0.146 1.00 0.00 N ATOM 129 CA PRO A 9 -10.579 -0.046 1.495 1.00 0.00 C ATOM 130 C PRO A 9 -9.480 -0.478 2.461 1.00 0.00 C ATOM 131 O PRO A 9 -9.665 -0.461 3.678 1.00 0.00 O ATOM 132 CB PRO A 9 -11.945 -0.583 1.922 1.00 0.00 C ATOM 133 CG PRO A 9 -12.125 -1.867 1.178 1.00 0.00 C ATOM 134 CD PRO A 9 -11.253 -1.792 -0.080 1.00 0.00 C ATOM 0 HA PRO A 9 -10.540 1.043 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.982 -0.746 2.999 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.737 0.125 1.679 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.833 -2.714 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.172 -2.013 0.912 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.674 -2.705 -0.216 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -11.860 -1.663 -0.976 1.00 0.00 H new ATOM 142 N LYS A 10 -8.332 -0.861 1.904 1.00 0.00 N ATOM 143 CA LYS A 10 -7.200 -1.292 2.720 1.00 0.00 C ATOM 144 C LYS A 10 -5.899 -0.718 2.166 1.00 0.00 C ATOM 145 O LYS A 10 -5.795 -0.434 0.972 1.00 0.00 O ATOM 146 CB LYS A 10 -7.098 -2.828 2.745 1.00 0.00 C ATOM 147 CG LYS A 10 -8.468 -3.475 3.026 1.00 0.00 C ATOM 148 CD LYS A 10 -8.367 -4.984 2.796 1.00 0.00 C ATOM 149 CE LYS A 10 -9.147 -5.363 1.536 1.00 0.00 C ATOM 150 NZ LYS A 10 -10.587 -5.028 1.723 1.00 0.00 N ATOM 0 H LYS A 10 -8.162 -0.881 0.898 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.361 -0.926 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.714 -3.185 1.789 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.385 -3.135 3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.777 -3.271 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.228 -3.045 2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.322 -5.277 2.691 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -8.764 -5.521 3.657 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.747 -4.829 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.034 -6.428 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.148 -5.904 1.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -10.712 -4.522 2.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.907 -4.424 0.939 1.00 0.00 H new ATOM 164 N ILE A 11 -4.911 -0.556 3.043 1.00 0.00 N ATOM 165 CA ILE A 11 -3.612 -0.020 2.644 1.00 0.00 C ATOM 166 C ILE A 11 -2.518 -1.056 2.890 1.00 0.00 C ATOM 167 O ILE A 11 -2.379 -1.570 3.999 1.00 0.00 O ATOM 168 CB ILE A 11 -3.311 1.254 3.441 1.00 0.00 C ATOM 169 CG1 ILE A 11 -3.973 2.454 2.750 1.00 0.00 C ATOM 170 CG2 ILE A 11 -1.797 1.474 3.526 1.00 0.00 C ATOM 171 CD1 ILE A 11 -3.031 3.039 1.692 1.00 0.00 C ATOM 0 H ILE A 11 -4.985 -0.788 4.034 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.638 0.219 1.581 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.709 1.150 4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.908 2.144 2.284 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.222 3.217 3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.593 2.382 4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.333 0.622 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.387 1.575 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.511 3.890 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.107 3.366 2.169 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.804 2.278 0.946 1.00 0.00 H new ATOM 183 N ILE A 12 -1.750 -1.362 1.847 1.00 0.00 N ATOM 184 CA ILE A 12 -0.677 -2.348 1.968 1.00 0.00 C ATOM 185 C ILE A 12 0.587 -1.873 1.258 1.00 0.00 C ATOM 186 O ILE A 12 0.534 -1.011 0.380 1.00 0.00 O ATOM 187 CB ILE A 12 -1.120 -3.680 1.363 1.00 0.00 C ATOM 188 CG1 ILE A 12 -2.649 -3.749 1.337 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.574 -4.832 2.210 1.00 0.00 C ATOM 190 CD1 ILE A 12 -3.089 -5.143 0.887 1.00 0.00 C ATOM 0 H ILE A 12 -1.847 -0.948 0.920 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.458 -2.476 3.028 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.736 -3.760 0.346 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.050 -3.531 2.327 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.046 -2.994 0.659 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.890 -5.782 1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.515 -4.786 2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.958 -4.750 3.227 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.178 -5.193 0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.700 -5.343 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.704 -5.888 1.583 1.00 0.00 H new ATOM 202 N PHE A 13 1.722 -2.448 1.644 1.00 0.00 N ATOM 203 CA PHE A 13 2.996 -2.093 1.047 1.00 0.00 C ATOM 204 C PHE A 13 3.291 -2.990 -0.152 1.00 0.00 C ATOM 205 O PHE A 13 2.981 -4.181 -0.135 1.00 0.00 O ATOM 206 CB PHE A 13 4.101 -2.250 2.087 1.00 0.00 C ATOM 207 CG PHE A 13 3.566 -3.018 3.273 1.00 0.00 C ATOM 208 CD1 PHE A 13 2.818 -2.359 4.255 1.00 0.00 C ATOM 209 CD2 PHE A 13 3.819 -4.391 3.389 1.00 0.00 C ATOM 210 CE1 PHE A 13 2.322 -3.071 5.354 1.00 0.00 C ATOM 211 CE2 PHE A 13 3.323 -5.103 4.488 1.00 0.00 C ATOM 212 CZ PHE A 13 2.574 -4.444 5.470 1.00 0.00 C ATOM 0 H PHE A 13 1.781 -3.163 2.369 1.00 0.00 H new ATOM 0 HA PHE A 13 2.952 -1.058 0.707 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.952 -2.775 1.653 1.00 0.00 H new ATOM 0 HB3 PHE A 13 4.459 -1.271 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.623 -1.301 4.165 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.396 -4.900 2.631 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.745 -2.562 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.518 -6.161 4.578 1.00 0.00 H new ATOM 0 HZ PHE A 13 2.191 -4.994 6.317 1.00 0.00 H new ATOM 222 N ASN A 14 3.889 -2.413 -1.189 1.00 0.00 N ATOM 223 CA ASN A 14 4.216 -3.175 -2.389 1.00 0.00 C ATOM 224 C ASN A 14 5.610 -2.816 -2.897 1.00 0.00 C ATOM 225 O ASN A 14 6.613 -3.326 -2.397 1.00 0.00 O ATOM 226 CB ASN A 14 3.179 -2.897 -3.479 1.00 0.00 C ATOM 227 CG ASN A 14 3.515 -3.690 -4.739 1.00 0.00 C ATOM 228 OD1 ASN A 14 4.473 -3.366 -5.440 1.00 0.00 O ATOM 229 ND2 ASN A 14 2.779 -4.715 -5.071 1.00 0.00 N ATOM 0 H ASN A 14 4.155 -1.429 -1.224 1.00 0.00 H new ATOM 0 HA ASN A 14 4.203 -4.236 -2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.185 -3.169 -3.124 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.156 -1.831 -3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.998 -5.249 -5.912 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.985 -4.983 -4.489 1.00 0.00 H new ATOM 236 N GLU A 15 5.665 -1.937 -3.892 1.00 0.00 N ATOM 237 CA GLU A 15 6.940 -1.520 -4.462 1.00 0.00 C ATOM 238 C GLU A 15 7.884 -1.032 -3.369 1.00 0.00 C ATOM 239 O GLU A 15 7.495 -0.250 -2.501 1.00 0.00 O ATOM 240 CB GLU A 15 6.709 -0.398 -5.478 1.00 0.00 C ATOM 241 CG GLU A 15 7.363 -0.770 -6.811 1.00 0.00 C ATOM 242 CD GLU A 15 7.114 0.329 -7.838 1.00 0.00 C ATOM 243 OE1 GLU A 15 7.052 1.481 -7.440 1.00 0.00 O ATOM 244 OE2 GLU A 15 6.989 0.004 -9.007 1.00 0.00 O ATOM 0 H GLU A 15 4.847 -1.502 -4.318 1.00 0.00 H new ATOM 0 HA GLU A 15 7.394 -2.377 -4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.640 -0.235 -5.619 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.127 0.537 -5.104 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.435 -0.914 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.959 -1.716 -7.173 1.00 0.00 H new ATOM 251 N ARG A 16 9.129 -1.498 -3.417 1.00 0.00 N ATOM 252 CA ARG A 16 10.121 -1.100 -2.426 1.00 0.00 C ATOM 253 C ARG A 16 10.024 0.396 -2.148 1.00 0.00 C ATOM 254 O ARG A 16 9.375 1.133 -2.892 1.00 0.00 O ATOM 255 CB ARG A 16 11.528 -1.437 -2.927 1.00 0.00 C ATOM 256 CG ARG A 16 12.350 -2.049 -1.788 1.00 0.00 C ATOM 257 CD ARG A 16 11.920 -3.501 -1.564 1.00 0.00 C ATOM 258 NE ARG A 16 11.799 -3.776 -0.128 1.00 0.00 N ATOM 259 CZ ARG A 16 11.450 -4.981 0.309 1.00 0.00 C ATOM 260 NH1 ARG A 16 11.349 -5.207 1.590 1.00 0.00 N ATOM 261 NH2 ARG A 16 11.209 -5.940 -0.543 1.00 0.00 N ATOM 0 H ARG A 16 9.472 -2.146 -4.126 1.00 0.00 H new ATOM 0 HA ARG A 16 9.925 -1.646 -1.503 1.00 0.00 H new ATOM 0 HB2 ARG A 16 11.469 -2.135 -3.762 1.00 0.00 H new ATOM 0 HB3 ARG A 16 12.017 -0.537 -3.298 1.00 0.00 H new ATOM 0 HG2 ARG A 16 13.412 -2.007 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 16 12.208 -1.472 -0.874 1.00 0.00 H new ATOM 0 HD2 ARG A 16 10.967 -3.686 -2.059 1.00 0.00 H new ATOM 0 HD3 ARG A 16 12.648 -4.177 -2.011 1.00 0.00 H new ATOM 0 HE ARG A 16 11.985 -3.032 0.544 1.00 0.00 H new ATOM 0 HH11 ARG A 16 11.538 -4.458 2.256 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.081 -6.132 1.925 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.289 -5.764 -1.545 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.941 -6.865 -0.207 1.00 0.00 H new TER 275 ARG A 16