USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 142 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 Single : A 1 GLY N :NH3+ -124:sc= -0.202 (180deg=-1.27) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 162:sc=-0.00873 (180deg=-0.105) USER MOD Single : A 14 ASN : amide:sc= -2.8! C(o=-2.8!,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.876 2.765 0.433 1.00 0.00 N ATOM 2 CA GLY A 1 -9.645 3.656 1.564 1.00 0.00 C ATOM 3 C GLY A 1 -8.310 4.380 1.421 1.00 0.00 C ATOM 4 O GLY A 1 -7.599 4.588 2.405 1.00 0.00 O ATOM 0 H3 GLY A 1 -10.781 3.005 -0.019 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.453 4.384 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.656 3.084 2.492 1.00 0.00 H new ATOM 8 N SER A 2 -7.974 4.757 0.191 1.00 0.00 N ATOM 9 CA SER A 2 -6.719 5.455 -0.065 1.00 0.00 C ATOM 10 C SER A 2 -5.540 4.636 0.450 1.00 0.00 C ATOM 11 O SER A 2 -5.685 3.454 0.764 1.00 0.00 O ATOM 12 CB SER A 2 -6.733 6.822 0.621 1.00 0.00 C ATOM 13 OG SER A 2 -6.480 7.835 -0.344 1.00 0.00 O ATOM 0 H SER A 2 -8.547 4.593 -0.637 1.00 0.00 H new ATOM 0 HA SER A 2 -6.611 5.591 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.698 6.992 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.978 6.855 1.406 1.00 0.00 H new ATOM 0 HG SER A 2 -6.490 8.712 0.092 1.00 0.00 H new ATOM 19 N ARG A 3 -4.375 5.268 0.532 1.00 0.00 N ATOM 20 CA ARG A 3 -3.180 4.585 1.011 1.00 0.00 C ATOM 21 C ARG A 3 -2.916 3.330 0.188 1.00 0.00 C ATOM 22 O ARG A 3 -3.644 2.342 0.291 1.00 0.00 O ATOM 23 CB ARG A 3 -3.349 4.204 2.485 1.00 0.00 C ATOM 24 CG ARG A 3 -3.551 5.465 3.330 1.00 0.00 C ATOM 25 CD ARG A 3 -3.009 5.222 4.740 1.00 0.00 C ATOM 26 NE ARG A 3 -1.553 5.136 4.713 1.00 0.00 N ATOM 27 CZ ARG A 3 -0.884 4.467 5.646 1.00 0.00 C ATOM 28 NH1 ARG A 3 0.420 4.404 5.594 1.00 0.00 N ATOM 29 NH2 ARG A 3 -1.527 3.874 6.614 1.00 0.00 N ATOM 0 H ARG A 3 -4.233 6.245 0.275 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.332 5.261 0.906 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.203 3.537 2.601 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.470 3.660 2.832 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.037 6.310 2.871 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.610 5.721 3.374 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.320 6.031 5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.427 4.300 5.144 1.00 0.00 H new ATOM 0 HE ARG A 3 -1.039 5.598 3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 3 0.923 4.868 4.838 1.00 0.00 H new ATOM 0 HH12 ARG A 3 0.935 3.891 6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.545 3.923 6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.012 3.361 7.329 1.00 0.00 H new ATOM 43 N GLY A 4 -1.869 3.375 -0.629 1.00 0.00 N ATOM 44 CA GLY A 4 -1.516 2.235 -1.466 1.00 0.00 C ATOM 45 C GLY A 4 -0.335 2.569 -2.368 1.00 0.00 C ATOM 46 O GLY A 4 -0.420 3.459 -3.215 1.00 0.00 O ATOM 0 H GLY A 4 -1.254 4.183 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.268 1.380 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.373 1.946 -2.074 1.00 0.00 H new ATOM 50 N PHE A 5 0.764 1.844 -2.183 1.00 0.00 N ATOM 51 CA PHE A 5 1.965 2.065 -2.985 1.00 0.00 C ATOM 52 C PHE A 5 3.123 1.217 -2.467 1.00 0.00 C ATOM 53 O PHE A 5 3.475 1.284 -1.289 1.00 0.00 O ATOM 54 CB PHE A 5 2.363 3.541 -2.943 1.00 0.00 C ATOM 55 CG PHE A 5 3.833 3.674 -3.261 1.00 0.00 C ATOM 56 CD1 PHE A 5 4.280 3.504 -4.576 1.00 0.00 C ATOM 57 CD2 PHE A 5 4.748 3.966 -2.243 1.00 0.00 C ATOM 58 CE1 PHE A 5 5.643 3.627 -4.874 1.00 0.00 C ATOM 59 CE2 PHE A 5 6.111 4.090 -2.540 1.00 0.00 C ATOM 60 CZ PHE A 5 6.558 3.919 -3.855 1.00 0.00 C ATOM 0 H PHE A 5 0.849 1.102 -1.489 1.00 0.00 H new ATOM 0 HA PHE A 5 1.744 1.775 -4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 5 1.772 4.109 -3.661 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.154 3.957 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE A 5 3.574 3.278 -5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.403 4.096 -1.228 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.988 3.497 -5.889 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.817 4.317 -1.755 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.609 4.012 -4.084 1.00 0.00 H new ATOM 70 N ARG A 6 3.715 0.425 -3.355 1.00 0.00 N ATOM 71 CA ARG A 6 4.839 -0.424 -2.977 1.00 0.00 C ATOM 72 C ARG A 6 5.959 0.430 -2.387 1.00 0.00 C ATOM 73 O ARG A 6 6.303 1.474 -2.939 1.00 0.00 O ATOM 74 CB ARG A 6 5.358 -1.165 -4.218 1.00 0.00 C ATOM 75 CG ARG A 6 5.295 -2.684 -4.010 1.00 0.00 C ATOM 76 CD ARG A 6 3.845 -3.162 -4.117 1.00 0.00 C ATOM 77 NE ARG A 6 3.469 -3.322 -5.518 1.00 0.00 N ATOM 78 CZ ARG A 6 3.705 -4.457 -6.170 1.00 0.00 C ATOM 79 NH1 ARG A 6 3.349 -4.578 -7.420 1.00 0.00 N ATOM 80 NH2 ARG A 6 4.294 -5.451 -5.563 1.00 0.00 N ATOM 0 H ARG A 6 3.438 0.353 -4.334 1.00 0.00 H new ATOM 0 HA ARG A 6 4.509 -1.146 -2.230 1.00 0.00 H new ATOM 0 HB2 ARG A 6 4.763 -0.887 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.385 -0.864 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.910 -3.188 -4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.702 -2.944 -3.033 1.00 0.00 H new ATOM 0 HD2 ARG A 6 3.727 -4.109 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 6 3.181 -2.444 -3.634 1.00 0.00 H new ATOM 0 HE ARG A 6 3.017 -2.549 -6.006 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.890 -3.802 -7.897 1.00 0.00 H new ATOM 0 HH12 ARG A 6 3.530 -5.448 -7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 6 4.574 -5.358 -4.587 1.00 0.00 H new ATOM 0 HH22 ARG A 6 4.474 -6.321 -6.065 1.00 0.00 H new ATOM 94 N PHE A 7 6.524 -0.013 -1.264 1.00 0.00 N ATOM 95 CA PHE A 7 7.600 0.738 -0.623 1.00 0.00 C ATOM 96 C PHE A 7 8.712 -0.202 -0.144 1.00 0.00 C ATOM 97 O PHE A 7 8.896 -0.421 1.055 1.00 0.00 O ATOM 98 CB PHE A 7 7.029 1.554 0.549 1.00 0.00 C ATOM 99 CG PHE A 7 7.684 2.919 0.594 1.00 0.00 C ATOM 100 CD1 PHE A 7 9.067 3.054 0.390 1.00 0.00 C ATOM 101 CD2 PHE A 7 6.904 4.057 0.844 1.00 0.00 C ATOM 102 CE1 PHE A 7 9.662 4.320 0.437 1.00 0.00 C ATOM 103 CE2 PHE A 7 7.501 5.322 0.890 1.00 0.00 C ATOM 104 CZ PHE A 7 8.879 5.453 0.687 1.00 0.00 C ATOM 0 H PHE A 7 6.259 -0.874 -0.786 1.00 0.00 H new ATOM 0 HA PHE A 7 8.038 1.421 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 7 5.950 1.662 0.437 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.201 1.027 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 7 9.672 2.180 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.840 3.957 1.001 1.00 0.00 H new ATOM 0 HE1 PHE A 7 10.726 4.423 0.280 1.00 0.00 H new ATOM 0 HE2 PHE A 7 6.898 6.197 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.339 6.429 0.723 1.00 0.00 H new HETATM 114 N DPR A 8 9.455 -0.755 -1.067 1.00 0.00 N HETATM 115 CA DPR A 8 10.579 -1.682 -0.769 1.00 0.00 C HETATM 116 CB DPR A 8 10.627 -2.549 -2.024 1.00 0.00 C HETATM 117 CG DPR A 8 10.175 -1.656 -3.137 1.00 0.00 C HETATM 118 CD DPR A 8 9.299 -0.559 -2.515 1.00 0.00 C HETATM 119 C DPR A 8 10.331 -2.536 0.480 1.00 0.00 C HETATM 120 O DPR A 8 9.657 -3.564 0.405 1.00 0.00 O HETATM 0 HG3 DPR A 8 11.031 -1.219 -3.651 1.00 0.00 H new HETATM 0 HG2 DPR A 8 9.613 -2.222 -3.880 1.00 0.00 H new HETATM 0 HD3 DPR A 8 8.258 -0.659 -2.821 1.00 0.00 H new HETATM 0 HD2 DPR A 8 9.627 0.434 -2.821 1.00 0.00 H new HETATM 0 HB3 DPR A 8 11.634 -2.924 -2.205 1.00 0.00 H new HETATM 0 HB2 DPR A 8 9.976 -3.418 -1.927 1.00 0.00 H new HETATM 0 HA DPR A 8 11.508 -1.156 -0.551 1.00 0.00 H new ATOM 128 N PRO A 9 10.858 -2.144 1.619 1.00 0.00 N ATOM 129 CA PRO A 9 10.676 -2.912 2.886 1.00 0.00 C ATOM 130 C PRO A 9 9.239 -2.848 3.395 1.00 0.00 C ATOM 131 O PRO A 9 8.950 -3.260 4.518 1.00 0.00 O ATOM 132 CB PRO A 9 11.635 -2.238 3.871 1.00 0.00 C ATOM 133 CG PRO A 9 11.837 -0.857 3.347 1.00 0.00 C ATOM 134 CD PRO A 9 11.680 -0.938 1.829 1.00 0.00 C ATOM 0 HA PRO A 9 10.882 -3.974 2.750 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.215 -2.219 4.877 1.00 0.00 H new ATOM 0 HB3 PRO A 9 12.580 -2.778 3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.108 -0.170 3.776 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.825 -0.482 3.615 1.00 0.00 H new ATOM 0 HD2 PRO A 9 11.193 -0.048 1.430 1.00 0.00 H new ATOM 0 HD3 PRO A 9 12.646 -1.022 1.332 1.00 0.00 H new ATOM 142 N LYS A 10 8.343 -2.330 2.562 1.00 0.00 N ATOM 143 CA LYS A 10 6.940 -2.221 2.943 1.00 0.00 C ATOM 144 C LYS A 10 6.077 -1.944 1.721 1.00 0.00 C ATOM 145 O LYS A 10 6.515 -1.298 0.772 1.00 0.00 O ATOM 146 CB LYS A 10 6.773 -1.090 3.971 1.00 0.00 C ATOM 147 CG LYS A 10 5.353 -1.066 4.564 1.00 0.00 C ATOM 148 CD LYS A 10 5.100 0.304 5.197 1.00 0.00 C ATOM 149 CE LYS A 10 4.216 0.141 6.434 1.00 0.00 C ATOM 150 NZ LYS A 10 5.031 -0.398 7.560 1.00 0.00 N ATOM 0 H LYS A 10 8.560 -1.982 1.628 1.00 0.00 H new ATOM 0 HA LYS A 10 6.619 -3.164 3.386 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.500 -1.217 4.773 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.986 -0.132 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.616 -1.262 3.785 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.244 -1.852 5.311 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.047 0.769 5.473 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.618 0.965 4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.781 1.101 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.387 -0.533 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.537 -0.227 8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 5.170 -1.420 7.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.956 0.077 7.578 1.00 0.00 H new ATOM 164 N ILE A 11 4.847 -2.430 1.765 1.00 0.00 N ATOM 165 CA ILE A 11 3.908 -2.234 0.667 1.00 0.00 C ATOM 166 C ILE A 11 2.498 -2.037 1.217 1.00 0.00 C ATOM 167 O ILE A 11 2.039 -2.800 2.067 1.00 0.00 O ATOM 168 CB ILE A 11 3.949 -3.432 -0.303 1.00 0.00 C ATOM 169 CG1 ILE A 11 3.148 -4.611 0.273 1.00 0.00 C ATOM 170 CG2 ILE A 11 5.400 -3.876 -0.520 1.00 0.00 C ATOM 171 CD1 ILE A 11 1.655 -4.488 -0.074 1.00 0.00 C ATOM 0 H ILE A 11 4.473 -2.964 2.549 1.00 0.00 H new ATOM 0 HA ILE A 11 4.197 -1.341 0.114 1.00 0.00 H new ATOM 0 HB ILE A 11 3.510 -3.124 -1.252 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.540 -5.548 -0.121 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.271 -4.644 1.355 1.00 0.00 H new ATOM 0 HG21 ILE A 11 5.423 -4.723 -1.206 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.974 -3.051 -0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.837 -4.170 0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.113 -5.335 0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.260 -3.562 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.533 -4.480 -1.157 1.00 0.00 H new ATOM 183 N ILE A 12 1.817 -1.002 0.731 1.00 0.00 N ATOM 184 CA ILE A 12 0.458 -0.706 1.180 1.00 0.00 C ATOM 185 C ILE A 12 -0.538 -0.962 0.054 1.00 0.00 C ATOM 186 O ILE A 12 -0.191 -0.877 -1.124 1.00 0.00 O ATOM 187 CB ILE A 12 0.363 0.759 1.625 1.00 0.00 C ATOM 188 CG1 ILE A 12 1.493 1.082 2.612 1.00 0.00 C ATOM 189 CG2 ILE A 12 -0.993 1.020 2.289 1.00 0.00 C ATOM 190 CD1 ILE A 12 1.501 0.071 3.765 1.00 0.00 C ATOM 0 H ILE A 12 2.181 -0.357 0.030 1.00 0.00 H new ATOM 0 HA ILE A 12 0.219 -1.357 2.021 1.00 0.00 H new ATOM 0 HB ILE A 12 0.460 1.399 0.748 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.453 1.062 2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.364 2.090 3.005 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.050 2.063 2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.792 0.809 1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.102 0.374 3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.308 0.314 4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.548 0.112 4.292 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.653 -0.933 3.368 1.00 0.00 H new ATOM 202 N ARG A 13 -1.777 -1.277 0.420 1.00 0.00 N ATOM 203 CA ARG A 13 -2.810 -1.541 -0.577 1.00 0.00 C ATOM 204 C ARG A 13 -4.200 -1.482 0.050 1.00 0.00 C ATOM 205 O ARG A 13 -4.406 -1.930 1.178 1.00 0.00 O ATOM 206 CB ARG A 13 -2.583 -2.916 -1.220 1.00 0.00 C ATOM 207 CG ARG A 13 -3.322 -4.000 -0.427 1.00 0.00 C ATOM 208 CD ARG A 13 -2.774 -5.374 -0.811 1.00 0.00 C ATOM 209 NE ARG A 13 -3.840 -6.370 -0.777 1.00 0.00 N ATOM 210 CZ ARG A 13 -4.168 -6.992 0.352 1.00 0.00 C ATOM 211 NH1 ARG A 13 -5.128 -7.877 0.352 1.00 0.00 N ATOM 212 NH2 ARG A 13 -3.533 -6.718 1.459 1.00 0.00 N ATOM 0 H ARG A 13 -2.088 -1.355 1.388 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.747 -0.771 -1.346 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.935 -2.906 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.517 -3.140 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.197 -3.832 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.391 -3.952 -0.634 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.336 -5.333 -1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.977 -5.660 -0.125 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.343 -6.593 -1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.625 -8.090 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.381 -8.355 1.217 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.784 -6.026 1.459 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.786 -7.196 2.324 1.00 0.00 H new ATOM 226 N ASN A 14 -5.152 -0.929 -0.696 1.00 0.00 N ATOM 227 CA ASN A 14 -6.526 -0.817 -0.214 1.00 0.00 C ATOM 228 C ASN A 14 -7.466 -0.511 -1.374 1.00 0.00 C ATOM 229 O ASN A 14 -8.678 -0.703 -1.274 1.00 0.00 O ATOM 230 CB ASN A 14 -6.626 0.291 0.839 1.00 0.00 C ATOM 231 CG ASN A 14 -6.095 -0.209 2.179 1.00 0.00 C ATOM 232 OD1 ASN A 14 -5.095 0.304 2.682 1.00 0.00 O ATOM 233 ND2 ASN A 14 -6.706 -1.185 2.790 1.00 0.00 N ATOM 0 H ASN A 14 -4.999 -0.553 -1.632 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.816 -1.766 0.238 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.057 1.163 0.516 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.663 0.609 0.946 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.356 -1.525 3.686 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.534 -1.609 2.372 1.00 0.00 H new ATOM 240 N GLU A 15 -6.882 -0.043 -2.471 1.00 0.00 N ATOM 241 CA GLU A 15 -7.642 0.294 -3.677 1.00 0.00 C ATOM 242 C GLU A 15 -9.032 0.822 -3.333 1.00 0.00 C ATOM 243 O GLU A 15 -10.011 0.493 -4.001 1.00 0.00 O ATOM 244 CB GLU A 15 -7.773 -0.940 -4.572 1.00 0.00 C ATOM 245 CG GLU A 15 -7.924 -0.500 -6.029 1.00 0.00 C ATOM 246 CD GLU A 15 -6.559 -0.152 -6.615 1.00 0.00 C ATOM 247 OE1 GLU A 15 -6.395 0.973 -7.057 1.00 0.00 O ATOM 248 OE2 GLU A 15 -5.698 -1.017 -6.612 1.00 0.00 O ATOM 0 H GLU A 15 -5.878 0.114 -2.554 1.00 0.00 H new ATOM 0 HA GLU A 15 -7.099 1.079 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.895 -1.577 -4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -8.636 -1.532 -4.269 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -8.386 -1.297 -6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.586 0.364 -6.089 1.00 0.00 H new ATOM 255 N ARG A 16 -9.109 1.642 -2.291 1.00 0.00 N ATOM 256 CA ARG A 16 -10.386 2.210 -1.870 1.00 0.00 C ATOM 257 C ARG A 16 -10.171 3.244 -0.771 1.00 0.00 C ATOM 258 O ARG A 16 -10.268 4.448 -1.010 1.00 0.00 O ATOM 259 CB ARG A 16 -11.309 1.103 -1.358 1.00 0.00 C ATOM 260 CG ARG A 16 -12.742 1.634 -1.267 1.00 0.00 C ATOM 261 CD ARG A 16 -13.471 1.366 -2.584 1.00 0.00 C ATOM 262 NE ARG A 16 -13.575 -0.069 -2.820 1.00 0.00 N ATOM 263 CZ ARG A 16 -13.809 -0.551 -4.036 1.00 0.00 C ATOM 264 NH1 ARG A 16 -13.898 -1.840 -4.221 1.00 0.00 N ATOM 265 NH2 ARG A 16 -13.948 0.264 -5.046 1.00 0.00 N ATOM 0 H ARG A 16 -8.309 1.927 -1.725 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.848 2.696 -2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -11.270 0.244 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -10.974 0.760 -0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -13.268 1.151 -0.443 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -12.732 2.703 -1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.466 1.810 -2.554 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.936 1.839 -3.407 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.466 -0.714 -2.038 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.788 -2.477 -3.432 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.078 -2.210 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.877 1.271 -4.902 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.128 -0.106 -5.979 1.00 0.00 H new TER 279 ARG A 16