USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 148 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 THR H1 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 1 THR H2 : A 1 THR N : A 14 PRO C :(NH2R) USER MOD NoAdj-H: A 13 DPR H : A 13 DPR N : A 12 LYS C :(H bumps) USER MOD Single : A 1 THR N :NH3+ 174:sc= 0.0888 (180deg=0.0675) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0526 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.661 -3.288 1.133 1.00 0.00 N ATOM 2 CA THR A 1 6.696 -3.883 0.225 1.00 0.00 C ATOM 3 C THR A 1 5.674 -2.838 -0.227 1.00 0.00 C ATOM 4 O THR A 1 5.569 -1.769 0.371 1.00 0.00 O ATOM 5 CB THR A 1 6.065 -5.087 0.927 1.00 0.00 C ATOM 6 OG1 THR A 1 7.178 -5.896 1.296 1.00 0.00 O ATOM 7 CG2 THR A 1 5.264 -5.970 -0.033 1.00 0.00 C ATOM 0 H3 THR A 1 8.286 -4.029 1.510 1.00 0.00 H new ATOM 0 HA THR A 1 7.177 -4.237 -0.687 1.00 0.00 H new ATOM 0 HB THR A 1 5.414 -4.740 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 1 6.860 -6.699 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 1 4.837 -6.810 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.462 -5.385 -0.482 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.922 -6.345 -0.817 1.00 0.00 H new ATOM 15 N TRP A 2 4.944 -3.185 -1.278 1.00 0.00 N ATOM 16 CA TRP A 2 3.934 -2.290 -1.815 1.00 0.00 C ATOM 17 C TRP A 2 2.767 -2.247 -0.828 1.00 0.00 C ATOM 18 O TRP A 2 2.285 -1.171 -0.477 1.00 0.00 O ATOM 19 CB TRP A 2 3.512 -2.722 -3.222 1.00 0.00 C ATOM 20 CG TRP A 2 3.915 -1.739 -4.322 1.00 0.00 C ATOM 21 CD1 TRP A 2 5.036 -1.739 -5.058 1.00 0.00 C ATOM 22 CD2 TRP A 2 3.153 -0.604 -4.783 1.00 0.00 C ATOM 23 NE1 TRP A 2 5.049 -0.692 -5.957 1.00 0.00 N ATOM 24 CE2 TRP A 2 3.869 0.021 -5.785 1.00 0.00 C ATOM 25 CE3 TRP A 2 1.899 -0.122 -4.369 1.00 0.00 C ATOM 26 CZ2 TRP A 2 3.413 1.162 -6.455 1.00 0.00 C ATOM 27 CZ3 TRP A 2 1.458 1.021 -5.048 1.00 0.00 C ATOM 28 CH2 TRP A 2 2.167 1.661 -6.058 1.00 0.00 C ATOM 0 H TRP A 2 5.033 -4.073 -1.771 1.00 0.00 H new ATOM 0 HA TRP A 2 4.332 -1.281 -1.927 1.00 0.00 H new ATOM 0 HB2 TRP A 2 3.952 -3.695 -3.439 1.00 0.00 H new ATOM 0 HB3 TRP A 2 2.430 -2.850 -3.242 1.00 0.00 H new ATOM 0 HD1 TRP A 2 5.828 -2.466 -4.960 1.00 0.00 H new ATOM 0 HE1 TRP A 2 5.790 -0.480 -6.626 1.00 0.00 H new ATOM 0 HE3 TRP A 2 1.321 -0.596 -3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 3.991 1.632 -7.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 0.500 1.434 -4.767 1.00 0.00 H new ATOM 0 HH2 TRP A 2 1.758 2.540 -6.534 1.00 0.00 H new ATOM 39 N LEU A 3 2.346 -3.431 -0.406 1.00 0.00 N ATOM 40 CA LEU A 3 1.244 -3.542 0.535 1.00 0.00 C ATOM 41 C LEU A 3 0.193 -2.478 0.210 1.00 0.00 C ATOM 42 O LEU A 3 0.199 -1.396 0.795 1.00 0.00 O ATOM 43 CB LEU A 3 1.759 -3.478 1.974 1.00 0.00 C ATOM 44 CG LEU A 3 2.034 -2.078 2.526 1.00 0.00 C ATOM 45 CD1 LEU A 3 0.827 -1.549 3.303 1.00 0.00 C ATOM 46 CD2 LEU A 3 3.310 -2.063 3.370 1.00 0.00 C ATOM 0 H LEU A 3 2.748 -4.321 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 3 0.757 -4.512 0.439 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.030 -3.966 2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.679 -4.059 2.036 1.00 0.00 H new ATOM 0 HG LEU A 3 2.196 -1.404 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.048 -0.552 3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.038 -1.500 2.642 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.610 -2.217 4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.483 -1.056 3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.201 -2.753 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.157 -2.369 2.755 1.00 0.00 H new ATOM 58 N LYS A 4 -0.683 -2.823 -0.721 1.00 0.00 N ATOM 59 CA LYS A 4 -1.739 -1.910 -1.130 1.00 0.00 C ATOM 60 C LYS A 4 -3.069 -2.665 -1.176 1.00 0.00 C ATOM 61 O LYS A 4 -3.199 -3.660 -1.887 1.00 0.00 O ATOM 62 CB LYS A 4 -1.374 -1.227 -2.449 1.00 0.00 C ATOM 63 CG LYS A 4 -1.240 -2.249 -3.579 1.00 0.00 C ATOM 64 CD LYS A 4 -2.219 -1.945 -4.714 1.00 0.00 C ATOM 65 CE LYS A 4 -1.641 -2.367 -6.066 1.00 0.00 C ATOM 66 NZ LYS A 4 -2.221 -3.659 -6.498 1.00 0.00 N ATOM 0 H LYS A 4 -0.684 -3.721 -1.204 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.853 -1.107 -0.402 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.138 -0.494 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.437 -0.683 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.220 -2.240 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.427 -3.251 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.159 -2.468 -4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.445 -0.879 -4.728 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -1.849 -1.600 -6.812 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.557 -2.455 -5.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -1.818 -3.930 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.001 -4.391 -5.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.253 -3.564 -6.587 1.00 0.00 H new ATOM 80 N LYS A 5 -4.025 -2.161 -0.408 1.00 0.00 N ATOM 81 CA LYS A 5 -5.341 -2.775 -0.353 1.00 0.00 C ATOM 82 C LYS A 5 -6.408 -1.703 -0.585 1.00 0.00 C ATOM 83 O LYS A 5 -6.962 -1.600 -1.677 1.00 0.00 O ATOM 84 CB LYS A 5 -5.518 -3.546 0.956 1.00 0.00 C ATOM 85 CG LYS A 5 -6.731 -4.475 0.887 1.00 0.00 C ATOM 86 CD LYS A 5 -7.161 -4.920 2.285 1.00 0.00 C ATOM 87 CE LYS A 5 -7.673 -6.362 2.267 1.00 0.00 C ATOM 88 NZ LYS A 5 -8.280 -6.713 3.572 1.00 0.00 N ATOM 0 H LYS A 5 -3.914 -1.335 0.181 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.451 -3.513 -1.148 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.621 -4.129 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.639 -2.845 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.558 -3.963 0.394 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.490 -5.349 0.281 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.319 -4.838 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.942 -4.257 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.409 -6.483 1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -6.851 -7.043 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.622 -7.695 3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.567 -6.617 4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -9.077 -6.074 3.767 1.00 0.00 H new ATOM 102 N ARG A 6 -6.664 -0.933 0.463 1.00 0.00 N ATOM 103 CA ARG A 6 -7.655 0.127 0.388 1.00 0.00 C ATOM 104 C ARG A 6 -7.375 1.193 1.450 1.00 0.00 C ATOM 105 O ARG A 6 -8.146 1.349 2.396 1.00 0.00 O ATOM 106 CB ARG A 6 -9.068 -0.425 0.590 1.00 0.00 C ATOM 107 CG ARG A 6 -9.129 -1.344 1.811 1.00 0.00 C ATOM 108 CD ARG A 6 -10.507 -1.994 1.940 1.00 0.00 C ATOM 109 NE ARG A 6 -11.443 -1.066 2.615 1.00 0.00 N ATOM 110 CZ ARG A 6 -11.425 -0.805 3.929 1.00 0.00 C ATOM 111 NH1 ARG A 6 -10.520 -1.399 4.718 1.00 0.00 N ATOM 112 NH2 ARG A 6 -12.312 0.051 4.454 1.00 0.00 N ATOM 0 H ARG A 6 -6.202 -1.022 1.368 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.589 0.572 -0.605 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.770 0.400 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.378 -0.975 -0.299 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.365 -2.117 1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.907 -0.772 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.889 -2.255 0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.429 -2.922 2.507 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.145 -0.596 2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.844 -2.050 4.318 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -10.507 -1.200 5.718 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.001 0.504 3.853 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -12.298 0.250 5.454 1.00 0.00 H new ATOM 126 N ARG A 7 -6.270 1.897 1.258 1.00 0.00 N ATOM 127 CA ARG A 7 -5.878 2.943 2.188 1.00 0.00 C ATOM 128 C ARG A 7 -4.367 3.175 2.119 1.00 0.00 C ATOM 129 O ARG A 7 -3.883 4.246 2.484 1.00 0.00 O ATOM 130 CB ARG A 7 -6.266 2.578 3.622 1.00 0.00 C ATOM 131 CG ARG A 7 -7.562 3.279 4.034 1.00 0.00 C ATOM 132 CD ARG A 7 -7.266 4.592 4.764 1.00 0.00 C ATOM 133 NE ARG A 7 -8.388 4.930 5.669 1.00 0.00 N ATOM 134 CZ ARG A 7 -8.589 4.356 6.863 1.00 0.00 C ATOM 135 NH1 ARG A 7 -7.746 3.412 7.304 1.00 0.00 N ATOM 136 NH2 ARG A 7 -9.633 4.727 7.618 1.00 0.00 N ATOM 0 H ARG A 7 -5.633 1.764 0.472 1.00 0.00 H new ATOM 0 HA ARG A 7 -6.403 3.855 1.903 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.390 1.498 3.706 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -5.463 2.860 4.303 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -8.169 3.478 3.151 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.145 2.623 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.342 4.500 5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -7.116 5.394 4.041 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.049 5.644 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -6.951 3.130 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.900 2.975 8.213 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.274 5.446 7.283 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.786 4.290 8.527 1.00 0.00 H new ATOM 150 N TRP A 8 -3.664 2.156 1.649 1.00 0.00 N ATOM 151 CA TRP A 8 -2.218 2.236 1.528 1.00 0.00 C ATOM 152 C TRP A 8 -1.890 2.805 0.146 1.00 0.00 C ATOM 153 O TRP A 8 -1.816 4.021 -0.027 1.00 0.00 O ATOM 154 CB TRP A 8 -1.571 0.873 1.782 1.00 0.00 C ATOM 155 CG TRP A 8 -1.622 0.423 3.243 1.00 0.00 C ATOM 156 CD1 TRP A 8 -0.895 0.877 4.273 1.00 0.00 C ATOM 157 CD2 TRP A 8 -2.480 -0.596 3.799 1.00 0.00 C ATOM 158 NE1 TRP A 8 -1.220 0.228 5.446 1.00 0.00 N ATOM 159 CE2 TRP A 8 -2.214 -0.696 5.149 1.00 0.00 C ATOM 160 CE3 TRP A 8 -3.448 -1.407 3.181 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -2.874 -1.594 5.997 1.00 0.00 C ATOM 162 CZ3 TRP A 8 -4.100 -2.300 4.041 1.00 0.00 C ATOM 163 CH2 TRP A 8 -3.844 -2.412 5.403 1.00 0.00 C ATOM 0 H TRP A 8 -4.069 1.270 1.347 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.803 2.901 2.286 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.069 0.125 1.165 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.530 0.911 1.460 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.148 1.653 4.195 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.806 0.396 6.363 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.671 -1.346 2.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.648 -1.653 7.051 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.854 -2.946 3.617 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.391 -3.127 6.001 1.00 0.00 H new ATOM 174 N LYS A 9 -1.704 1.899 -0.803 1.00 0.00 N ATOM 175 CA LYS A 9 -1.386 2.295 -2.164 1.00 0.00 C ATOM 176 C LYS A 9 -0.394 3.461 -2.133 1.00 0.00 C ATOM 177 O LYS A 9 -0.430 4.334 -2.998 1.00 0.00 O ATOM 178 CB LYS A 9 -2.665 2.599 -2.947 1.00 0.00 C ATOM 179 CG LYS A 9 -2.340 3.123 -4.347 1.00 0.00 C ATOM 180 CD LYS A 9 -3.436 2.742 -5.344 1.00 0.00 C ATOM 181 CE LYS A 9 -2.955 1.640 -6.292 1.00 0.00 C ATOM 182 NZ LYS A 9 -2.928 2.134 -7.686 1.00 0.00 N ATOM 0 H LYS A 9 -1.768 0.892 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.901 1.476 -2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.271 1.696 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.259 3.337 -2.408 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.232 4.207 -4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.385 2.716 -4.679 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.321 2.403 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.730 3.620 -5.920 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.959 1.308 -5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.614 0.775 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.600 1.375 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.884 2.429 -7.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.281 2.945 -7.754 1.00 0.00 H new ATOM 196 N LYS A 10 0.468 3.435 -1.127 1.00 0.00 N ATOM 197 CA LYS A 10 1.468 4.477 -0.972 1.00 0.00 C ATOM 198 C LYS A 10 2.774 4.027 -1.628 1.00 0.00 C ATOM 199 O LYS A 10 3.583 4.857 -2.043 1.00 0.00 O ATOM 200 CB LYS A 10 1.621 4.858 0.503 1.00 0.00 C ATOM 201 CG LYS A 10 2.163 6.281 0.648 1.00 0.00 C ATOM 202 CD LYS A 10 1.068 7.315 0.380 1.00 0.00 C ATOM 203 CE LYS A 10 0.685 8.053 1.663 1.00 0.00 C ATOM 204 NZ LYS A 10 1.078 9.478 1.578 1.00 0.00 N ATOM 0 H LYS A 10 0.494 2.709 -0.411 1.00 0.00 H new ATOM 0 HA LYS A 10 1.151 5.387 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.656 4.780 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.294 4.157 0.996 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.562 6.421 1.652 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.989 6.432 -0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.413 8.031 -0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.190 6.821 -0.035 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.390 7.975 1.827 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.173 7.585 2.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.811 9.965 2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.107 9.547 1.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.593 9.925 0.774 1.00 0.00 H new ATOM 218 N ALA A 11 2.941 2.715 -1.704 1.00 0.00 N ATOM 219 CA ALA A 11 4.135 2.145 -2.304 1.00 0.00 C ATOM 220 C ALA A 11 5.360 2.568 -1.492 1.00 0.00 C ATOM 221 O ALA A 11 5.297 2.655 -0.266 1.00 0.00 O ATOM 222 CB ALA A 11 4.228 2.579 -3.768 1.00 0.00 C ATOM 0 H ALA A 11 2.269 2.030 -1.360 1.00 0.00 H new ATOM 0 HA ALA A 11 4.089 1.056 -2.289 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.124 2.151 -4.218 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.348 2.229 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.278 3.666 -3.823 1.00 0.00 H new ATOM 228 N LYS A 12 6.446 2.820 -2.207 1.00 0.00 N ATOM 229 CA LYS A 12 7.684 3.233 -1.568 1.00 0.00 C ATOM 230 C LYS A 12 8.066 2.209 -0.497 1.00 0.00 C ATOM 231 O LYS A 12 7.276 1.396 -0.015 1.00 0.00 O ATOM 232 CB LYS A 12 7.563 4.662 -1.037 1.00 0.00 C ATOM 233 CG LYS A 12 6.745 4.699 0.256 1.00 0.00 C ATOM 234 CD LYS A 12 7.178 5.867 1.145 1.00 0.00 C ATOM 235 CE LYS A 12 5.964 6.567 1.759 1.00 0.00 C ATOM 236 NZ LYS A 12 6.382 7.787 2.485 1.00 0.00 N ATOM 0 H LYS A 12 6.495 2.746 -3.223 1.00 0.00 H new ATOM 0 HA LYS A 12 8.498 3.256 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 12 8.557 5.071 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.091 5.294 -1.789 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.685 4.792 0.018 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.869 3.760 0.796 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.832 5.503 1.937 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.756 6.581 0.558 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.253 6.829 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.452 5.888 2.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.546 8.250 2.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.043 7.529 3.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.851 8.440 1.825 1.00 0.00 H new HETATM 250 N DPR A 13 9.365 2.252 -0.098 1.00 0.00 N HETATM 251 CA DPR A 13 9.874 1.447 1.052 1.00 0.00 C HETATM 252 CB DPR A 13 11.248 2.116 1.273 1.00 0.00 C HETATM 253 CG DPR A 13 11.706 2.549 -0.123 1.00 0.00 C HETATM 254 CD DPR A 13 10.420 3.000 -0.814 1.00 0.00 C HETATM 255 C DPR A 13 9.911 -0.107 0.820 1.00 0.00 C HETATM 256 O DPR A 13 10.212 -0.597 -0.270 1.00 0.00 O HETATM 0 HG3 DPR A 13 12.435 3.358 -0.070 1.00 0.00 H new HETATM 0 HG2 DPR A 13 12.180 1.727 -0.660 1.00 0.00 H new HETATM 0 HD3 DPR A 13 10.430 2.761 -1.877 1.00 0.00 H new HETATM 0 HD2 DPR A 13 10.276 4.077 -0.731 1.00 0.00 H new HETATM 0 HB3 DPR A 13 11.168 2.971 1.945 1.00 0.00 H new HETATM 0 HB2 DPR A 13 11.957 1.422 1.724 1.00 0.00 H new HETATM 0 HA DPR A 13 9.226 1.466 1.928 1.00 0.00 H new ATOM 264 N PRO A 14 9.624 -0.881 1.884 1.00 0.00 N ATOM 265 CA PRO A 14 9.805 -2.356 1.859 1.00 0.00 C ATOM 266 C PRO A 14 8.962 -3.172 0.818 1.00 0.00 C ATOM 267 O PRO A 14 9.504 -3.810 -0.077 1.00 0.00 O ATOM 268 CB PRO A 14 9.528 -2.708 3.337 1.00 0.00 C ATOM 269 CG PRO A 14 8.607 -1.602 3.868 1.00 0.00 C ATOM 270 CD PRO A 14 9.066 -0.339 3.136 1.00 0.00 C ATOM 0 HA PRO A 14 10.791 -2.643 1.494 1.00 0.00 H new ATOM 0 HB2 PRO A 14 9.054 -3.686 3.423 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.455 -2.752 3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 14 7.560 -1.823 3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.701 -1.491 4.948 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.238 0.345 2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.812 0.213 3.708 1.00 0.00 H new TER 278 PRO A 14