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 H3 : 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+ -137:sc= 0.0456 (180deg=-0.0408) USER MOD Single : A 1 THR OG1 : rot 81:sc= 1.19 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 7.405 -2.590 1.209 1.00 0.00 N ATOM 2 CA THR A 1 6.897 -3.169 -0.023 1.00 0.00 C ATOM 3 C THR A 1 5.461 -2.707 -0.277 1.00 0.00 C ATOM 4 O THR A 1 4.590 -2.878 0.574 1.00 0.00 O ATOM 5 CB THR A 1 7.039 -4.690 0.075 1.00 0.00 C ATOM 6 OG1 THR A 1 8.245 -4.972 -0.628 1.00 0.00 O ATOM 7 CG2 THR A 1 5.961 -5.430 -0.720 1.00 0.00 C ATOM 0 H2 THR A 1 8.381 -2.263 1.062 1.00 0.00 H new ATOM 0 HA THR A 1 7.471 -2.830 -0.885 1.00 0.00 H new ATOM 0 HB THR A 1 6.991 -4.993 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 1 9.012 -4.799 -0.043 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.107 -6.505 -0.617 1.00 0.00 H new ATOM 0 HG22 THR A 1 4.977 -5.159 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 1 6.030 -5.153 -1.772 1.00 0.00 H new ATOM 15 N TRP A 2 5.257 -2.131 -1.453 1.00 0.00 N ATOM 16 CA TRP A 2 3.942 -1.643 -1.830 1.00 0.00 C ATOM 17 C TRP A 2 2.943 -2.786 -1.641 1.00 0.00 C ATOM 18 O TRP A 2 3.311 -3.870 -1.190 1.00 0.00 O ATOM 19 CB TRP A 2 3.951 -1.087 -3.255 1.00 0.00 C ATOM 20 CG TRP A 2 3.170 -1.935 -4.260 1.00 0.00 C ATOM 21 CD1 TRP A 2 3.421 -3.193 -4.650 1.00 0.00 C ATOM 22 CD2 TRP A 2 1.992 -1.535 -4.991 1.00 0.00 C ATOM 23 NE1 TRP A 2 2.496 -3.630 -5.575 1.00 0.00 N ATOM 24 CE2 TRP A 2 1.599 -2.590 -5.790 1.00 0.00 C ATOM 25 CE3 TRP A 2 1.282 -0.322 -4.979 1.00 0.00 C ATOM 26 CZ2 TRP A 2 0.484 -2.539 -6.635 1.00 0.00 C ATOM 27 CZ3 TRP A 2 0.171 -0.286 -5.829 1.00 0.00 C ATOM 28 CH2 TRP A 2 -0.238 -1.339 -6.639 1.00 0.00 C ATOM 0 H TRP A 2 5.981 -1.992 -2.157 1.00 0.00 H new ATOM 0 HA TRP A 2 3.643 -0.809 -1.195 1.00 0.00 H new ATOM 0 HB2 TRP A 2 3.534 -0.080 -3.243 1.00 0.00 H new ATOM 0 HB3 TRP A 2 4.983 -1.000 -3.593 1.00 0.00 H new ATOM 0 HD1 TRP A 2 4.244 -3.789 -4.286 1.00 0.00 H new ATOM 0 HE1 TRP A 2 2.474 -4.548 -6.020 1.00 0.00 H new ATOM 0 HE3 TRP A 2 1.571 0.516 -4.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 0.196 -3.379 -7.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -0.410 0.624 -5.858 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -1.109 -1.232 -7.269 1.00 0.00 H new ATOM 39 N LEU A 3 1.697 -2.504 -1.996 1.00 0.00 N ATOM 40 CA LEU A 3 0.641 -3.495 -1.871 1.00 0.00 C ATOM 41 C LEU A 3 -0.694 -2.865 -2.271 1.00 0.00 C ATOM 42 O LEU A 3 -1.374 -3.362 -3.167 1.00 0.00 O ATOM 43 CB LEU A 3 0.638 -4.100 -0.465 1.00 0.00 C ATOM 44 CG LEU A 3 0.708 -5.626 -0.391 1.00 0.00 C ATOM 45 CD1 LEU A 3 2.061 -6.137 -0.891 1.00 0.00 C ATOM 46 CD2 LEU A 3 0.394 -6.123 1.021 1.00 0.00 C ATOM 0 H LEU A 3 1.396 -1.604 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 3 0.818 -4.328 -2.552 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.484 -3.690 0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.266 -3.772 0.048 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.056 -6.035 -1.052 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.085 -7.225 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.206 -5.830 -1.927 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.858 -5.720 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.451 -7.211 1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.117 -5.706 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.610 -5.806 1.303 1.00 0.00 H new ATOM 58 N LYS A 4 -1.028 -1.779 -1.588 1.00 0.00 N ATOM 59 CA LYS A 4 -2.270 -1.076 -1.862 1.00 0.00 C ATOM 60 C LYS A 4 -3.451 -2.012 -1.598 1.00 0.00 C ATOM 61 O LYS A 4 -3.743 -2.893 -2.408 1.00 0.00 O ATOM 62 CB LYS A 4 -2.253 -0.491 -3.276 1.00 0.00 C ATOM 63 CG LYS A 4 -3.574 0.212 -3.593 1.00 0.00 C ATOM 64 CD LYS A 4 -3.494 0.953 -4.930 1.00 0.00 C ATOM 65 CE LYS A 4 -4.442 0.334 -5.959 1.00 0.00 C ATOM 66 NZ LYS A 4 -5.013 1.381 -6.834 1.00 0.00 N ATOM 0 H LYS A 4 -0.460 -1.369 -0.846 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.382 -0.225 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.429 0.216 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.077 -1.286 -4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -4.381 -0.520 -3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.816 0.916 -2.797 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.747 2.003 -4.783 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.472 0.921 -5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.906 -0.399 -6.562 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -5.244 -0.199 -5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -5.654 0.943 -7.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.542 2.065 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -4.245 1.871 -7.335 1.00 0.00 H new ATOM 80 N LYS A 5 -4.098 -1.793 -0.464 1.00 0.00 N ATOM 81 CA LYS A 5 -5.240 -2.606 -0.083 1.00 0.00 C ATOM 82 C LYS A 5 -6.131 -1.810 0.873 1.00 0.00 C ATOM 83 O LYS A 5 -7.324 -1.644 0.623 1.00 0.00 O ATOM 84 CB LYS A 5 -4.776 -3.950 0.483 1.00 0.00 C ATOM 85 CG LYS A 5 -5.818 -5.040 0.229 1.00 0.00 C ATOM 86 CD LYS A 5 -5.153 -6.409 0.070 1.00 0.00 C ATOM 87 CE LYS A 5 -5.217 -7.205 1.374 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.629 -8.602 1.109 1.00 0.00 N ATOM 0 H LYS A 5 -3.853 -1.063 0.205 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.845 -2.847 -0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.828 -4.234 0.025 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -4.597 -3.855 1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.527 -5.070 1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.387 -4.802 -0.670 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.647 -6.967 -0.725 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.113 -6.279 -0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.243 -7.193 1.862 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.923 -6.735 2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.667 -9.129 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.569 -8.608 0.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -4.941 -9.052 0.472 1.00 0.00 H new ATOM 102 N ARG A 6 -5.517 -1.340 1.949 1.00 0.00 N ATOM 103 CA ARG A 6 -6.240 -0.566 2.945 1.00 0.00 C ATOM 104 C ARG A 6 -5.383 0.606 3.430 1.00 0.00 C ATOM 105 O ARG A 6 -4.586 0.455 4.354 1.00 0.00 O ATOM 106 CB ARG A 6 -6.628 -1.435 4.142 1.00 0.00 C ATOM 107 CG ARG A 6 -8.036 -1.094 4.634 1.00 0.00 C ATOM 108 CD ARG A 6 -9.017 -2.223 4.314 1.00 0.00 C ATOM 109 NE ARG A 6 -10.392 -1.683 4.205 1.00 0.00 N ATOM 110 CZ ARG A 6 -11.454 -2.407 3.828 1.00 0.00 C ATOM 111 NH1 ARG A 6 -11.309 -3.703 3.522 1.00 0.00 N ATOM 112 NH2 ARG A 6 -12.664 -1.833 3.757 1.00 0.00 N ATOM 0 H ARG A 6 -4.527 -1.480 2.153 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.148 -0.187 2.476 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.582 -2.487 3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.911 -1.288 4.950 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.017 -0.918 5.710 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.375 -0.170 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -8.733 -2.709 3.381 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -8.977 -2.983 5.094 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.539 -0.699 4.431 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.389 -4.140 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.119 -4.253 3.235 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.775 -0.846 3.990 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.473 -2.383 3.470 1.00 0.00 H new ATOM 126 N ARG A 7 -5.578 1.746 2.785 1.00 0.00 N ATOM 127 CA ARG A 7 -4.834 2.943 3.139 1.00 0.00 C ATOM 128 C ARG A 7 -3.475 2.950 2.436 1.00 0.00 C ATOM 129 O ARG A 7 -2.828 3.992 2.339 1.00 0.00 O ATOM 130 CB ARG A 7 -4.619 3.031 4.651 1.00 0.00 C ATOM 131 CG ARG A 7 -4.890 4.447 5.162 1.00 0.00 C ATOM 132 CD ARG A 7 -3.748 4.934 6.058 1.00 0.00 C ATOM 133 NE ARG A 7 -4.297 5.599 7.260 1.00 0.00 N ATOM 134 CZ ARG A 7 -3.558 6.286 8.143 1.00 0.00 C ATOM 135 NH1 ARG A 7 -2.234 6.399 7.963 1.00 0.00 N ATOM 136 NH2 ARG A 7 -4.142 6.857 9.205 1.00 0.00 N ATOM 0 H ARG A 7 -6.241 1.867 2.019 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.419 3.805 2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.278 2.326 5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.596 2.742 4.894 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.009 5.126 4.318 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -5.827 4.464 5.719 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.121 4.092 6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.113 5.627 5.507 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.301 5.531 7.428 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.790 5.963 7.155 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.671 6.921 8.634 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.149 6.769 9.342 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.580 7.380 9.877 1.00 0.00 H new ATOM 150 N TRP A 8 -3.081 1.776 1.967 1.00 0.00 N ATOM 151 CA TRP A 8 -1.810 1.633 1.276 1.00 0.00 C ATOM 152 C TRP A 8 -1.999 2.111 -0.164 1.00 0.00 C ATOM 153 O TRP A 8 -3.091 2.003 -0.720 1.00 0.00 O ATOM 154 CB TRP A 8 -1.295 0.196 1.367 1.00 0.00 C ATOM 155 CG TRP A 8 -0.569 -0.124 2.676 1.00 0.00 C ATOM 156 CD1 TRP A 8 0.491 0.501 3.205 1.00 0.00 C ATOM 157 CD2 TRP A 8 -0.895 -1.179 3.604 1.00 0.00 C ATOM 158 NE1 TRP A 8 0.871 -0.071 4.402 1.00 0.00 N ATOM 159 CE2 TRP A 8 0.000 -1.125 4.652 1.00 0.00 C ATOM 160 CE3 TRP A 8 -1.915 -2.146 3.561 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -0.032 -2.012 5.735 1.00 0.00 C ATOM 162 CZ3 TRP A 8 -1.933 -3.026 4.651 1.00 0.00 C ATOM 163 CH2 TRP A 8 -1.038 -2.985 5.713 1.00 0.00 C ATOM 0 H TRP A 8 -3.619 0.914 2.052 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.043 2.247 1.748 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.136 -0.488 1.253 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.618 0.010 0.533 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.986 1.347 2.751 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.647 0.225 4.994 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.628 -2.206 2.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.681 -1.949 6.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.696 -3.790 4.667 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.118 -3.701 6.518 1.00 0.00 H new ATOM 174 N LYS A 9 -0.918 2.629 -0.729 1.00 0.00 N ATOM 175 CA LYS A 9 -0.951 3.124 -2.094 1.00 0.00 C ATOM 176 C LYS A 9 0.306 2.656 -2.832 1.00 0.00 C ATOM 177 O LYS A 9 0.811 1.565 -2.574 1.00 0.00 O ATOM 178 CB LYS A 9 -1.144 4.642 -2.110 1.00 0.00 C ATOM 179 CG LYS A 9 -2.065 5.065 -3.257 1.00 0.00 C ATOM 180 CD LYS A 9 -3.417 5.543 -2.726 1.00 0.00 C ATOM 181 CE LYS A 9 -4.421 4.390 -2.663 1.00 0.00 C ATOM 182 NZ LYS A 9 -5.407 4.501 -3.761 1.00 0.00 N ATOM 0 H LYS A 9 -0.014 2.716 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.807 2.712 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.567 4.969 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.177 5.134 -2.215 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.593 5.862 -3.832 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.213 4.226 -3.937 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.290 5.974 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.805 6.333 -3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.895 3.438 -2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.935 4.400 -1.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.081 3.711 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.921 5.401 -3.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.913 4.469 -4.676 1.00 0.00 H new ATOM 196 N LYS A 10 0.773 3.505 -3.735 1.00 0.00 N ATOM 197 CA LYS A 10 1.961 3.193 -4.511 1.00 0.00 C ATOM 198 C LYS A 10 3.085 2.760 -3.567 1.00 0.00 C ATOM 199 O LYS A 10 2.897 2.719 -2.352 1.00 0.00 O ATOM 200 CB LYS A 10 2.337 4.370 -5.414 1.00 0.00 C ATOM 201 CG LYS A 10 2.696 3.890 -6.821 1.00 0.00 C ATOM 202 CD LYS A 10 1.583 4.226 -7.815 1.00 0.00 C ATOM 203 CE LYS A 10 2.010 3.902 -9.248 1.00 0.00 C ATOM 204 NZ LYS A 10 0.947 3.147 -9.948 1.00 0.00 N ATOM 0 H LYS A 10 0.350 4.409 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 10 1.767 2.356 -5.181 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.505 5.072 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.181 4.908 -4.983 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.628 4.356 -7.142 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.866 2.813 -6.810 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.684 3.663 -7.564 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.329 5.283 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.224 4.825 -9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.931 3.319 -9.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.253 2.935 -10.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.762 2.258 -9.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.077 3.717 -9.976 1.00 0.00 H new ATOM 218 N ALA A 11 4.226 2.447 -4.160 1.00 0.00 N ATOM 219 CA ALA A 11 5.379 2.019 -3.387 1.00 0.00 C ATOM 220 C ALA A 11 5.476 2.862 -2.114 1.00 0.00 C ATOM 221 O ALA A 11 5.498 4.090 -2.178 1.00 0.00 O ATOM 222 CB ALA A 11 6.639 2.118 -4.248 1.00 0.00 C ATOM 0 H ALA A 11 4.378 2.481 -5.168 1.00 0.00 H new ATOM 0 HA ALA A 11 5.272 0.977 -3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.503 1.797 -3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.532 1.478 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.781 3.150 -4.568 1.00 0.00 H new ATOM 228 N LYS A 12 5.530 2.169 -0.986 1.00 0.00 N ATOM 229 CA LYS A 12 5.624 2.839 0.300 1.00 0.00 C ATOM 230 C LYS A 12 6.424 1.965 1.269 1.00 0.00 C ATOM 231 O LYS A 12 5.922 1.091 1.976 1.00 0.00 O ATOM 232 CB LYS A 12 4.232 3.210 0.814 1.00 0.00 C ATOM 233 CG LYS A 12 4.323 4.160 2.010 1.00 0.00 C ATOM 234 CD LYS A 12 4.360 3.382 3.327 1.00 0.00 C ATOM 235 CE LYS A 12 4.389 4.333 4.525 1.00 0.00 C ATOM 236 NZ LYS A 12 3.720 3.716 5.693 1.00 0.00 N ATOM 0 H LYS A 12 5.510 1.150 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 12 6.163 3.781 0.200 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.659 3.680 0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 12 3.695 2.307 1.103 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.218 4.776 1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.469 4.837 2.007 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.487 2.733 3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.239 2.738 3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.421 4.578 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.893 5.268 4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.749 4.375 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.730 3.504 5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.211 2.835 5.949 1.00 0.00 H new HETATM 250 N DPR A 13 7.760 2.219 1.302 1.00 0.00 N HETATM 251 CA DPR A 13 8.668 1.586 2.305 1.00 0.00 C HETATM 252 CB DPR A 13 9.905 2.502 2.174 1.00 0.00 C HETATM 253 CG DPR A 13 9.930 2.928 0.703 1.00 0.00 C HETATM 254 CD DPR A 13 8.456 3.102 0.342 1.00 0.00 C HETATM 255 C DPR A 13 8.940 0.053 2.088 1.00 0.00 C HETATM 256 O DPR A 13 9.500 -0.375 1.078 1.00 0.00 O HETATM 0 HG3 DPR A 13 10.486 3.855 0.566 1.00 0.00 H new HETATM 0 HG2 DPR A 13 10.408 2.174 0.077 1.00 0.00 H new HETATM 0 HD3 DPR A 13 8.258 2.809 -0.689 1.00 0.00 H new HETATM 0 HD2 DPR A 13 8.137 4.139 0.446 1.00 0.00 H new HETATM 0 HB3 DPR A 13 9.828 3.366 2.834 1.00 0.00 H new HETATM 0 HB2 DPR A 13 10.818 1.973 2.447 1.00 0.00 H new HETATM 0 HA DPR A 13 8.256 1.539 3.313 1.00 0.00 H new ATOM 264 N PRO A 14 8.552 -0.771 3.082 1.00 0.00 N ATOM 265 CA PRO A 14 8.914 -2.213 3.096 1.00 0.00 C ATOM 266 C PRO A 14 8.445 -3.090 1.884 1.00 0.00 C ATOM 267 O PRO A 14 9.102 -4.055 1.507 1.00 0.00 O ATOM 268 CB PRO A 14 8.344 -2.641 4.467 1.00 0.00 C ATOM 269 CG PRO A 14 7.196 -1.669 4.767 1.00 0.00 C ATOM 270 CD PRO A 14 7.654 -0.338 4.166 1.00 0.00 C ATOM 0 HA PRO A 14 9.986 -2.370 2.973 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.987 -3.670 4.437 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.110 -2.592 5.241 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.262 -2.007 4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.020 -1.581 5.839 1.00 0.00 H new ATOM 0 HD2 PRO A 14 6.815 0.247 3.789 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.171 0.282 4.899 1.00 0.00 H new TER 278 PRO A 14