USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 141 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.163 USER MOD Single : A 3 LYS NZ :NH3+ -160:sc=-0.00731 (180deg=-0.119) USER MOD Single : A 14 ASN : amide:sc= -8.88! C(o=-8.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.639 0.035 0.305 1.00 0.00 N ATOM 2 CA GLY A 1 -7.873 -1.181 0.060 1.00 0.00 C ATOM 3 C GLY A 1 -6.989 -1.516 1.257 1.00 0.00 C ATOM 4 O GLY A 1 -5.871 -1.014 1.373 1.00 0.00 O ATOM 0 H2 GLY A 1 -9.233 0.244 -0.523 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.552 -2.010 -0.139 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.256 -1.054 -0.829 1.00 0.00 H new ATOM 8 N SER A 2 -7.496 -2.366 2.146 1.00 0.00 N ATOM 9 CA SER A 2 -6.740 -2.757 3.330 1.00 0.00 C ATOM 10 C SER A 2 -5.510 -3.572 2.941 1.00 0.00 C ATOM 11 O SER A 2 -4.807 -4.100 3.802 1.00 0.00 O ATOM 12 CB SER A 2 -7.625 -3.581 4.265 1.00 0.00 C ATOM 13 OG SER A 2 -8.812 -3.956 3.578 1.00 0.00 O ATOM 0 H SER A 2 -8.419 -2.793 2.070 1.00 0.00 H new ATOM 0 HA SER A 2 -6.412 -1.852 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.090 -4.469 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.873 -3.002 5.154 1.00 0.00 H new ATOM 0 HG SER A 2 -9.381 -4.486 4.174 1.00 0.00 H new ATOM 19 N LYS A 3 -5.256 -3.668 1.640 1.00 0.00 N ATOM 20 CA LYS A 3 -4.106 -4.422 1.152 1.00 0.00 C ATOM 21 C LYS A 3 -2.848 -3.561 1.182 1.00 0.00 C ATOM 22 O LYS A 3 -1.897 -3.810 0.441 1.00 0.00 O ATOM 23 CB LYS A 3 -4.361 -4.903 -0.278 1.00 0.00 C ATOM 24 CG LYS A 3 -5.499 -5.925 -0.279 1.00 0.00 C ATOM 25 CD LYS A 3 -6.002 -6.129 -1.709 1.00 0.00 C ATOM 26 CE LYS A 3 -7.288 -5.328 -1.917 1.00 0.00 C ATOM 27 NZ LYS A 3 -8.418 -6.014 -1.228 1.00 0.00 N ATOM 0 H LYS A 3 -5.825 -3.238 0.911 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.960 -5.283 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.617 -4.058 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.456 -5.351 -0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -5.152 -6.872 0.134 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -6.313 -5.579 0.358 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -5.242 -5.809 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.186 -7.187 -1.893 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.168 -4.318 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.501 -5.233 -2.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.320 -5.687 -1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.333 -7.042 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.391 -5.792 -0.212 1.00 0.00 H new ATOM 41 N ARG A 4 -2.849 -2.548 2.043 1.00 0.00 N ATOM 42 CA ARG A 4 -1.699 -1.659 2.161 1.00 0.00 C ATOM 43 C ARG A 4 -0.404 -2.462 2.113 1.00 0.00 C ATOM 44 O ARG A 4 -0.159 -3.307 2.974 1.00 0.00 O ATOM 45 CB ARG A 4 -1.773 -0.882 3.477 1.00 0.00 C ATOM 46 CG ARG A 4 -2.653 0.355 3.290 1.00 0.00 C ATOM 47 CD ARG A 4 -2.965 0.972 4.655 1.00 0.00 C ATOM 48 NE ARG A 4 -4.228 0.451 5.166 1.00 0.00 N ATOM 49 CZ ARG A 4 -4.927 1.119 6.079 1.00 0.00 C ATOM 50 NH1 ARG A 4 -6.054 0.632 6.521 1.00 0.00 N ATOM 51 NH2 ARG A 4 -4.486 2.260 6.533 1.00 0.00 N ATOM 0 H ARG A 4 -3.626 -2.324 2.664 1.00 0.00 H new ATOM 0 HA ARG A 4 -1.713 -0.958 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.181 -1.516 4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.773 -0.586 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.145 1.083 2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.578 0.083 2.782 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.161 0.748 5.356 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.019 2.057 4.568 1.00 0.00 H new ATOM 0 HE ARG A 4 -4.581 -0.440 4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.398 -0.260 6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -6.591 1.144 7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.605 2.640 6.188 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.023 2.772 7.233 1.00 0.00 H new ATOM 65 N PHE A 5 0.415 -2.199 1.096 1.00 0.00 N ATOM 66 CA PHE A 5 1.676 -2.912 0.938 1.00 0.00 C ATOM 67 C PHE A 5 2.837 -1.934 0.770 1.00 0.00 C ATOM 68 O PHE A 5 3.077 -1.419 -0.322 1.00 0.00 O ATOM 69 CB PHE A 5 1.593 -3.830 -0.281 1.00 0.00 C ATOM 70 CG PHE A 5 1.817 -5.260 0.146 1.00 0.00 C ATOM 71 CD1 PHE A 5 3.105 -5.702 0.471 1.00 0.00 C ATOM 72 CD2 PHE A 5 0.735 -6.147 0.216 1.00 0.00 C ATOM 73 CE1 PHE A 5 3.312 -7.030 0.866 1.00 0.00 C ATOM 74 CE2 PHE A 5 0.941 -7.474 0.611 1.00 0.00 C ATOM 75 CZ PHE A 5 2.230 -7.916 0.936 1.00 0.00 C ATOM 0 H PHE A 5 0.228 -1.502 0.375 1.00 0.00 H new ATOM 0 HA PHE A 5 1.855 -3.505 1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 5 0.618 -3.731 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.340 -3.539 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.940 -5.019 0.417 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.259 -5.807 -0.035 1.00 0.00 H new ATOM 0 HE1 PHE A 5 4.306 -7.370 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.106 -8.157 0.665 1.00 0.00 H new ATOM 0 HZ PHE A 5 2.389 -8.940 1.240 1.00 0.00 H new ATOM 85 N ARG A 6 3.553 -1.686 1.862 1.00 0.00 N ATOM 86 CA ARG A 6 4.690 -0.772 1.833 1.00 0.00 C ATOM 87 C ARG A 6 5.939 -1.490 1.325 1.00 0.00 C ATOM 88 O ARG A 6 6.149 -2.667 1.619 1.00 0.00 O ATOM 89 CB ARG A 6 4.949 -0.227 3.239 1.00 0.00 C ATOM 90 CG ARG A 6 4.792 1.296 3.238 1.00 0.00 C ATOM 91 CD ARG A 6 5.072 1.841 4.640 1.00 0.00 C ATOM 92 NE ARG A 6 4.253 3.020 4.897 1.00 0.00 N ATOM 93 CZ ARG A 6 4.005 3.426 6.138 1.00 0.00 C ATOM 94 NH1 ARG A 6 3.270 4.484 6.343 1.00 0.00 N ATOM 95 NH2 ARG A 6 4.497 2.765 7.151 1.00 0.00 N ATOM 0 H ARG A 6 3.368 -2.103 2.774 1.00 0.00 H new ATOM 0 HA ARG A 6 4.459 0.052 1.158 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.251 -0.674 3.947 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.953 -0.499 3.566 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.479 1.742 2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 6 3.784 1.568 2.926 1.00 0.00 H new ATOM 0 HD2 ARG A 6 4.861 1.074 5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 6 6.128 2.095 4.735 1.00 0.00 H new ATOM 0 HE ARG A 6 3.864 3.542 4.111 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.886 4.999 5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.079 4.796 7.295 1.00 0.00 H new ATOM 0 HH21 ARG A 6 5.071 1.938 6.990 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.307 3.076 8.104 1.00 0.00 H new ATOM 109 N PHE A 7 6.762 -0.776 0.564 1.00 0.00 N ATOM 110 CA PHE A 7 7.985 -1.358 0.024 1.00 0.00 C ATOM 111 C PHE A 7 9.063 -0.290 -0.200 1.00 0.00 C ATOM 112 O PHE A 7 9.670 -0.247 -1.271 1.00 0.00 O ATOM 113 CB PHE A 7 7.680 -2.046 -1.307 1.00 0.00 C ATOM 114 CG PHE A 7 8.781 -3.028 -1.631 1.00 0.00 C ATOM 115 CD1 PHE A 7 9.730 -2.715 -2.611 1.00 0.00 C ATOM 116 CD2 PHE A 7 8.851 -4.249 -0.952 1.00 0.00 C ATOM 117 CE1 PHE A 7 10.751 -3.625 -2.911 1.00 0.00 C ATOM 118 CE2 PHE A 7 9.873 -5.159 -1.252 1.00 0.00 C ATOM 119 CZ PHE A 7 10.823 -4.846 -2.232 1.00 0.00 C ATOM 0 H PHE A 7 6.606 0.199 0.309 1.00 0.00 H new ATOM 0 HA PHE A 7 8.361 -2.081 0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.722 -2.563 -1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.595 -1.304 -2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.675 -1.772 -3.135 1.00 0.00 H new ATOM 0 HD2 PHE A 7 8.117 -4.490 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 7 11.484 -3.384 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 7 9.928 -6.102 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 7 11.611 -5.547 -2.464 1.00 0.00 H new HETATM 129 N DPR A 8 9.328 0.571 0.764 1.00 0.00 N HETATM 130 CA DPR A 8 10.372 1.624 0.604 1.00 0.00 C HETATM 131 CB DPR A 8 10.638 2.089 2.036 1.00 0.00 C HETATM 132 CG DPR A 8 9.374 1.827 2.783 1.00 0.00 C HETATM 133 CD DPR A 8 8.678 0.651 2.092 1.00 0.00 C HETATM 134 C DPR A 8 9.877 2.790 -0.264 1.00 0.00 C HETATM 135 O DPR A 8 8.948 3.495 0.130 1.00 0.00 O HETATM 0 HG3 DPR A 8 9.585 1.591 3.826 1.00 0.00 H new HETATM 0 HG2 DPR A 8 8.734 2.710 2.779 1.00 0.00 H new HETATM 0 HD3 DPR A 8 7.605 0.822 2.000 1.00 0.00 H new HETATM 0 HD2 DPR A 8 8.807 -0.274 2.654 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.474 1.545 2.476 1.00 0.00 H new HETATM 0 HB2 DPR A 8 10.897 3.147 2.063 1.00 0.00 H new HETATM 0 HA DPR A 8 11.263 1.249 0.101 1.00 0.00 H new ATOM 143 N PRO A 9 10.454 3.015 -1.428 1.00 0.00 N ATOM 144 CA PRO A 9 10.015 4.125 -2.321 1.00 0.00 C ATOM 145 C PRO A 9 8.710 3.798 -3.033 1.00 0.00 C ATOM 146 O PRO A 9 8.105 4.658 -3.672 1.00 0.00 O ATOM 147 CB PRO A 9 11.163 4.265 -3.318 1.00 0.00 C ATOM 148 CG PRO A 9 11.781 2.910 -3.392 1.00 0.00 C ATOM 149 CD PRO A 9 11.571 2.256 -2.025 1.00 0.00 C ATOM 0 HA PRO A 9 9.815 5.043 -1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.800 4.587 -4.294 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.886 5.010 -2.985 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.318 2.316 -4.180 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.843 2.981 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.326 1.198 -2.123 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.469 2.320 -1.411 1.00 0.00 H new ATOM 157 N GLU A 10 8.289 2.545 -2.916 1.00 0.00 N ATOM 158 CA GLU A 10 7.059 2.090 -3.546 1.00 0.00 C ATOM 159 C GLU A 10 6.091 1.553 -2.496 1.00 0.00 C ATOM 160 O GLU A 10 6.450 0.693 -1.692 1.00 0.00 O ATOM 161 CB GLU A 10 7.381 0.991 -4.557 1.00 0.00 C ATOM 162 CG GLU A 10 6.100 0.253 -4.937 1.00 0.00 C ATOM 163 CD GLU A 10 5.856 -0.903 -3.973 1.00 0.00 C ATOM 164 OE1 GLU A 10 4.994 -0.765 -3.120 1.00 0.00 O ATOM 165 OE2 GLU A 10 6.533 -1.909 -4.103 1.00 0.00 O ATOM 0 H GLU A 10 8.784 1.825 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 10 6.591 2.932 -4.056 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.841 1.424 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.103 0.293 -4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.254 0.941 -4.914 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.177 -0.124 -5.957 1.00 0.00 H new ATOM 172 N ILE A 11 4.864 2.063 -2.509 1.00 0.00 N ATOM 173 CA ILE A 11 3.859 1.621 -1.550 1.00 0.00 C ATOM 174 C ILE A 11 2.496 1.494 -2.219 1.00 0.00 C ATOM 175 O ILE A 11 2.126 2.315 -3.058 1.00 0.00 O ATOM 176 CB ILE A 11 3.773 2.610 -0.384 1.00 0.00 C ATOM 177 CG1 ILE A 11 2.965 3.841 -0.813 1.00 0.00 C ATOM 178 CG2 ILE A 11 5.183 3.043 0.024 1.00 0.00 C ATOM 179 CD1 ILE A 11 3.200 4.978 0.182 1.00 0.00 C ATOM 0 H ILE A 11 4.544 2.775 -3.165 1.00 0.00 H new ATOM 0 HA ILE A 11 4.154 0.643 -1.171 1.00 0.00 H new ATOM 0 HB ILE A 11 3.281 2.130 0.462 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.262 4.153 -1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.904 3.595 -0.857 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.122 3.747 0.854 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.757 2.169 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.676 3.522 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.626 5.853 -0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.882 4.663 1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 11 4.260 5.229 0.203 1.00 0.00 H new ATOM 191 N ILE A 12 1.751 0.465 -1.833 1.00 0.00 N ATOM 192 CA ILE A 12 0.424 0.243 -2.394 1.00 0.00 C ATOM 193 C ILE A 12 -0.646 0.700 -1.409 1.00 0.00 C ATOM 194 O ILE A 12 -1.440 -0.104 -0.921 1.00 0.00 O ATOM 195 CB ILE A 12 0.229 -1.239 -2.716 1.00 0.00 C ATOM 196 CG1 ILE A 12 1.528 -1.811 -3.288 1.00 0.00 C ATOM 197 CG2 ILE A 12 -0.892 -1.397 -3.744 1.00 0.00 C ATOM 198 CD1 ILE A 12 1.303 -3.262 -3.715 1.00 0.00 C ATOM 0 H ILE A 12 2.040 -0.224 -1.139 1.00 0.00 H new ATOM 0 HA ILE A 12 0.333 0.822 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.036 -1.776 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.855 -1.216 -4.141 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.320 -1.759 -2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.030 -2.454 -3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.818 -0.990 -3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.628 -0.860 -4.655 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.228 -3.669 -4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.996 -3.852 -2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.524 -3.301 -4.476 1.00 0.00 H new ATOM 210 N PHE A 13 -0.655 1.997 -1.118 1.00 0.00 N ATOM 211 CA PHE A 13 -1.627 2.556 -0.188 1.00 0.00 C ATOM 212 C PHE A 13 -2.762 3.237 -0.948 1.00 0.00 C ATOM 213 O PHE A 13 -2.630 3.545 -2.133 1.00 0.00 O ATOM 214 CB PHE A 13 -0.945 3.573 0.729 1.00 0.00 C ATOM 215 CG PHE A 13 -0.381 2.867 1.942 1.00 0.00 C ATOM 216 CD1 PHE A 13 0.482 1.774 1.779 1.00 0.00 C ATOM 217 CD2 PHE A 13 -0.719 3.304 3.229 1.00 0.00 C ATOM 218 CE1 PHE A 13 1.004 1.121 2.903 1.00 0.00 C ATOM 219 CE2 PHE A 13 -0.197 2.651 4.351 1.00 0.00 C ATOM 220 CZ PHE A 13 0.665 1.560 4.188 1.00 0.00 C ATOM 0 H PHE A 13 -0.004 2.677 -1.511 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.039 1.744 0.411 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.147 4.085 0.191 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.660 4.335 1.039 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.744 1.436 0.787 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -1.383 4.146 3.356 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.668 0.279 2.778 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.459 2.989 5.343 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.069 1.057 5.054 1.00 0.00 H new ATOM 230 N ASN A 14 -3.876 3.467 -0.261 1.00 0.00 N ATOM 231 CA ASN A 14 -5.026 4.112 -0.884 1.00 0.00 C ATOM 232 C ASN A 14 -6.150 4.299 0.131 1.00 0.00 C ATOM 233 O ASN A 14 -6.143 3.685 1.198 1.00 0.00 O ATOM 234 CB ASN A 14 -5.528 3.264 -2.055 1.00 0.00 C ATOM 235 CG ASN A 14 -6.926 3.714 -2.464 1.00 0.00 C ATOM 236 OD1 ASN A 14 -7.886 2.955 -2.334 1.00 0.00 O ATOM 237 ND2 ASN A 14 -7.098 4.910 -2.956 1.00 0.00 N ATOM 0 H ASN A 14 -4.007 3.219 0.720 1.00 0.00 H new ATOM 0 HA ASN A 14 -4.717 5.091 -1.251 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.846 3.356 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.544 2.212 -1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.030 5.218 -3.234 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -6.301 5.537 -3.063 1.00 0.00 H new ATOM 244 N GLU A 15 -7.114 5.147 -0.211 1.00 0.00 N ATOM 245 CA GLU A 15 -8.240 5.404 0.678 1.00 0.00 C ATOM 246 C GLU A 15 -9.256 4.272 0.590 1.00 0.00 C ATOM 247 O GLU A 15 -10.335 4.345 1.177 1.00 0.00 O ATOM 248 CB GLU A 15 -8.912 6.727 0.303 1.00 0.00 C ATOM 249 CG GLU A 15 -7.848 7.816 0.153 1.00 0.00 C ATOM 250 CD GLU A 15 -7.603 8.106 -1.324 1.00 0.00 C ATOM 251 OE1 GLU A 15 -7.586 9.272 -1.684 1.00 0.00 O ATOM 252 OE2 GLU A 15 -7.437 7.159 -2.074 1.00 0.00 O ATOM 0 H GLU A 15 -7.139 5.664 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.867 5.465 1.700 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -9.466 6.614 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.633 7.011 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.171 8.724 0.662 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.920 7.497 0.628 1.00 0.00 H new ATOM 259 N ARG A 16 -8.902 3.226 -0.149 1.00 0.00 N ATOM 260 CA ARG A 16 -9.790 2.081 -0.309 1.00 0.00 C ATOM 261 C ARG A 16 -8.991 0.838 -0.694 1.00 0.00 C ATOM 262 O ARG A 16 -8.698 0.614 -1.868 1.00 0.00 O ATOM 263 CB ARG A 16 -10.835 2.379 -1.389 1.00 0.00 C ATOM 264 CG ARG A 16 -12.101 1.544 -1.147 1.00 0.00 C ATOM 265 CD ARG A 16 -13.160 2.384 -0.422 1.00 0.00 C ATOM 266 NE ARG A 16 -12.693 2.761 0.912 1.00 0.00 N ATOM 267 CZ ARG A 16 -12.576 1.856 1.879 1.00 0.00 C ATOM 268 NH1 ARG A 16 -12.166 2.217 3.064 1.00 0.00 N ATOM 269 NH2 ARG A 16 -12.871 0.607 1.643 1.00 0.00 N ATOM 0 H ARG A 16 -8.013 3.147 -0.643 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.294 1.895 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.084 3.440 -1.382 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.425 2.154 -2.374 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.498 1.188 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.856 0.663 -0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -13.381 3.280 -1.002 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -14.088 1.818 -0.342 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.453 3.734 1.103 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -11.935 3.193 3.248 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.076 1.523 3.806 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.191 0.325 0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -12.781 -0.087 2.385 1.00 0.00 H new TER 283 ARG A 16