USER MOD reduce.3.24.130724 H: found=0, std=0, add=148, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 50:sc= 0.169 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 8.322 -3.157 0.172 1.00 0.00 N ATOM 2 CA THR A 1 6.930 -3.476 -0.091 1.00 0.00 C ATOM 3 C THR A 1 6.014 -2.428 0.545 1.00 0.00 C ATOM 4 O THR A 1 6.119 -2.149 1.738 1.00 0.00 O ATOM 5 CB THR A 1 6.666 -4.897 0.410 1.00 0.00 C ATOM 6 OG1 THR A 1 6.596 -5.678 -0.781 1.00 0.00 O ATOM 7 CG2 THR A 1 5.279 -5.049 1.038 1.00 0.00 C ATOM 0 H3 THR A 1 8.932 -3.877 -0.266 1.00 0.00 H new ATOM 0 HA THR A 1 6.713 -3.448 -1.159 1.00 0.00 H new ATOM 0 HB THR A 1 7.427 -5.171 1.141 1.00 0.00 H new ATOM 0 HG1 THR A 1 7.371 -5.481 -1.348 1.00 0.00 H new ATOM 0 HG21 THR A 1 5.144 -6.076 1.377 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.188 -4.372 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 1 4.516 -4.807 0.298 1.00 0.00 H new ATOM 15 N TRP A 2 5.136 -1.876 -0.281 1.00 0.00 N ATOM 16 CA TRP A 2 4.202 -0.866 0.187 1.00 0.00 C ATOM 17 C TRP A 2 2.951 -1.580 0.700 1.00 0.00 C ATOM 18 O TRP A 2 2.776 -2.775 0.470 1.00 0.00 O ATOM 19 CB TRP A 2 3.900 0.152 -0.915 1.00 0.00 C ATOM 20 CG TRP A 2 4.406 -0.259 -2.300 1.00 0.00 C ATOM 21 CD1 TRP A 2 5.675 -0.426 -2.698 1.00 0.00 C ATOM 22 CD2 TRP A 2 3.598 -0.552 -3.458 1.00 0.00 C ATOM 23 NE1 TRP A 2 5.743 -0.803 -4.023 1.00 0.00 N ATOM 24 CE2 TRP A 2 4.440 -0.882 -4.501 1.00 0.00 C ATOM 25 CE3 TRP A 2 2.202 -0.538 -3.621 1.00 0.00 C ATOM 26 CZ2 TRP A 2 3.980 -1.222 -5.779 1.00 0.00 C ATOM 27 CZ3 TRP A 2 1.758 -0.881 -4.903 1.00 0.00 C ATOM 28 CH2 TRP A 2 2.593 -1.215 -5.964 1.00 0.00 C ATOM 0 H TRP A 2 5.052 -2.109 -1.270 1.00 0.00 H new ATOM 0 HA TRP A 2 4.634 -0.290 1.006 1.00 0.00 H new ATOM 0 HB2 TRP A 2 2.822 0.308 -0.965 1.00 0.00 H new ATOM 0 HB3 TRP A 2 4.349 1.108 -0.645 1.00 0.00 H new ATOM 0 HD1 TRP A 2 6.536 -0.283 -2.061 1.00 0.00 H new ATOM 0 HE1 TRP A 2 6.593 -0.990 -4.555 1.00 0.00 H new ATOM 0 HE3 TRP A 2 1.525 -0.282 -2.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 4.659 -1.476 -6.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 0.693 -0.887 -5.081 1.00 0.00 H new ATOM 0 HH2 TRP A 2 2.173 -1.468 -6.926 1.00 0.00 H new ATOM 39 N LEU A 3 2.112 -0.816 1.385 1.00 0.00 N ATOM 40 CA LEU A 3 0.882 -1.361 1.933 1.00 0.00 C ATOM 41 C LEU A 3 -0.281 -1.023 1.000 1.00 0.00 C ATOM 42 O LEU A 3 -0.243 -0.015 0.295 1.00 0.00 O ATOM 43 CB LEU A 3 0.677 -0.880 3.372 1.00 0.00 C ATOM 44 CG LEU A 3 0.325 -1.960 4.396 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.944 -2.711 3.988 1.00 0.00 C ATOM 46 CD2 LEU A 3 1.505 -2.908 4.621 1.00 0.00 C ATOM 0 H LEU A 3 2.260 0.176 1.573 1.00 0.00 H new ATOM 0 HA LEU A 3 0.939 -2.448 1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.588 -0.379 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.116 -0.132 3.375 1.00 0.00 H new ATOM 0 HG LEU A 3 0.118 -1.472 5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.171 -3.473 4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.776 -2.010 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.790 -3.186 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.228 -3.666 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.768 -3.391 3.680 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.361 -2.343 4.990 1.00 0.00 H new ATOM 58 N LYS A 4 -1.288 -1.882 1.025 1.00 0.00 N ATOM 59 CA LYS A 4 -2.461 -1.687 0.189 1.00 0.00 C ATOM 60 C LYS A 4 -3.532 -2.711 0.572 1.00 0.00 C ATOM 61 O LYS A 4 -3.254 -3.907 0.643 1.00 0.00 O ATOM 62 CB LYS A 4 -2.076 -1.724 -1.292 1.00 0.00 C ATOM 63 CG LYS A 4 -1.443 -3.067 -1.660 1.00 0.00 C ATOM 64 CD LYS A 4 -1.517 -3.313 -3.168 1.00 0.00 C ATOM 65 CE LYS A 4 -0.275 -4.054 -3.664 1.00 0.00 C ATOM 66 NZ LYS A 4 -0.486 -4.559 -5.040 1.00 0.00 N ATOM 0 H LYS A 4 -1.317 -2.716 1.611 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.889 -0.699 0.359 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.961 -1.554 -1.906 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -1.377 -0.916 -1.510 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.402 -3.084 -1.336 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.954 -3.871 -1.131 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -2.409 -3.894 -3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -1.610 -2.361 -3.691 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.586 -3.386 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.050 -4.885 -2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.367 -5.059 -5.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.295 -5.213 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.679 -3.760 -5.677 1.00 0.00 H new ATOM 80 N LYS A 5 -4.733 -2.204 0.808 1.00 0.00 N ATOM 81 CA LYS A 5 -5.846 -3.060 1.181 1.00 0.00 C ATOM 82 C LYS A 5 -7.088 -2.650 0.387 1.00 0.00 C ATOM 83 O LYS A 5 -7.510 -3.363 -0.523 1.00 0.00 O ATOM 84 CB LYS A 5 -6.053 -3.039 2.698 1.00 0.00 C ATOM 85 CG LYS A 5 -6.910 -4.222 3.150 1.00 0.00 C ATOM 86 CD LYS A 5 -6.688 -4.525 4.634 1.00 0.00 C ATOM 87 CE LYS A 5 -5.625 -5.610 4.820 1.00 0.00 C ATOM 88 NZ LYS A 5 -6.240 -6.853 5.337 1.00 0.00 N ATOM 0 H LYS A 5 -4.960 -1.211 0.748 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.631 -4.097 0.925 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.087 -3.072 3.201 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.533 -2.105 2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.963 -4.001 2.974 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.665 -5.102 2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -6.380 -3.617 5.152 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.625 -4.848 5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.130 -5.810 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.858 -5.262 5.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -5.506 -7.579 5.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.692 -6.661 6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.955 -7.193 4.663 1.00 0.00 H new ATOM 102 N ARG A 6 -7.637 -1.503 0.758 1.00 0.00 N ATOM 103 CA ARG A 6 -8.821 -0.990 0.089 1.00 0.00 C ATOM 104 C ARG A 6 -8.806 0.540 0.082 1.00 0.00 C ATOM 105 O ARG A 6 -9.811 1.176 0.393 1.00 0.00 O ATOM 106 CB ARG A 6 -10.097 -1.476 0.781 1.00 0.00 C ATOM 107 CG ARG A 6 -11.302 -1.371 -0.155 1.00 0.00 C ATOM 108 CD ARG A 6 -11.859 -2.756 -0.490 1.00 0.00 C ATOM 109 NE ARG A 6 -12.456 -2.749 -1.844 1.00 0.00 N ATOM 110 CZ ARG A 6 -12.898 -3.844 -2.477 1.00 0.00 C ATOM 111 NH1 ARG A 6 -12.814 -5.041 -1.882 1.00 0.00 N ATOM 112 NH2 ARG A 6 -13.426 -3.742 -3.705 1.00 0.00 N ATOM 0 H ARG A 6 -7.284 -0.914 1.513 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.811 -1.362 -0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.970 -2.510 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -10.276 -0.884 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -12.079 -0.766 0.313 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -11.010 -0.861 -1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.063 -3.499 -0.439 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -12.610 -3.042 0.246 1.00 0.00 H new ATOM 0 HE ARG A 6 -12.536 -1.854 -2.326 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.414 -5.119 -0.947 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.150 -5.875 -2.364 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -13.491 -2.830 -4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.762 -4.576 -4.186 1.00 0.00 H new ATOM 126 N ARG A 7 -7.653 1.086 -0.277 1.00 0.00 N ATOM 127 CA ARG A 7 -7.493 2.529 -0.330 1.00 0.00 C ATOM 128 C ARG A 7 -6.018 2.906 -0.174 1.00 0.00 C ATOM 129 O ARG A 7 -5.602 3.986 -0.591 1.00 0.00 O ATOM 130 CB ARG A 7 -8.306 3.215 0.770 1.00 0.00 C ATOM 131 CG ARG A 7 -9.620 3.768 0.216 1.00 0.00 C ATOM 132 CD ARG A 7 -9.657 5.294 0.316 1.00 0.00 C ATOM 133 NE ARG A 7 -10.136 5.704 1.654 1.00 0.00 N ATOM 134 CZ ARG A 7 -10.346 6.976 2.021 1.00 0.00 C ATOM 135 NH1 ARG A 7 -10.120 7.969 1.150 1.00 0.00 N ATOM 136 NH2 ARG A 7 -10.781 7.254 3.257 1.00 0.00 N ATOM 0 H ARG A 7 -6.821 0.555 -0.534 1.00 0.00 H new ATOM 0 HA ARG A 7 -7.858 2.867 -1.300 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -8.515 2.504 1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.722 4.025 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.736 3.465 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.459 3.343 0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -8.662 5.702 0.136 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -10.312 5.701 -0.454 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.318 4.972 2.341 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -9.789 7.756 0.209 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.279 8.937 1.428 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.953 6.498 3.919 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.941 8.222 3.536 1.00 0.00 H new ATOM 150 N TRP A 8 -5.268 1.994 0.428 1.00 0.00 N ATOM 151 CA TRP A 8 -3.849 2.217 0.645 1.00 0.00 C ATOM 152 C TRP A 8 -3.103 1.770 -0.614 1.00 0.00 C ATOM 153 O TRP A 8 -3.417 0.729 -1.189 1.00 0.00 O ATOM 154 CB TRP A 8 -3.368 1.505 1.910 1.00 0.00 C ATOM 155 CG TRP A 8 -3.953 2.073 3.205 1.00 0.00 C ATOM 156 CD1 TRP A 8 -3.592 3.189 3.853 1.00 0.00 C ATOM 157 CD2 TRP A 8 -5.025 1.504 3.986 1.00 0.00 C ATOM 158 NE1 TRP A 8 -4.349 3.380 4.991 1.00 0.00 N ATOM 159 CE2 TRP A 8 -5.248 2.322 5.075 1.00 0.00 C ATOM 160 CE3 TRP A 8 -5.781 0.336 3.781 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -6.226 2.062 6.042 1.00 0.00 C ATOM 162 CZ3 TRP A 8 -6.753 0.089 4.757 1.00 0.00 C ATOM 163 CH2 TRP A 8 -6.991 0.903 5.857 1.00 0.00 C ATOM 0 H TRP A 8 -5.617 1.099 0.772 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.646 3.275 0.813 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.626 0.448 1.840 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.281 1.566 1.957 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -2.807 3.855 3.526 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -4.265 4.155 5.649 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -5.624 -0.319 2.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -6.382 2.719 6.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -7.361 -0.797 4.647 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -7.763 0.644 6.567 1.00 0.00 H new ATOM 174 N LYS A 9 -2.128 2.577 -1.005 1.00 0.00 N ATOM 175 CA LYS A 9 -1.334 2.277 -2.184 1.00 0.00 C ATOM 176 C LYS A 9 -0.144 3.236 -2.251 1.00 0.00 C ATOM 177 O LYS A 9 -0.091 4.104 -3.122 1.00 0.00 O ATOM 178 CB LYS A 9 -2.211 2.294 -3.437 1.00 0.00 C ATOM 179 CG LYS A 9 -1.734 1.254 -4.454 1.00 0.00 C ATOM 180 CD LYS A 9 -1.817 1.804 -5.880 1.00 0.00 C ATOM 181 CE LYS A 9 -2.655 0.886 -6.773 1.00 0.00 C ATOM 182 NZ LYS A 9 -3.948 1.527 -7.105 1.00 0.00 N ATOM 0 H LYS A 9 -1.870 3.439 -0.526 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.925 1.268 -2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.247 2.092 -3.163 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.188 3.286 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.707 0.966 -4.231 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.343 0.354 -4.372 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.256 2.802 -5.864 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.814 1.904 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.108 0.661 -7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.832 -0.062 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.505 0.892 -7.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.475 1.720 -6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.774 2.420 -7.608 1.00 0.00 H new ATOM 196 N LYS A 10 0.780 3.049 -1.321 1.00 0.00 N ATOM 197 CA LYS A 10 1.965 3.888 -1.264 1.00 0.00 C ATOM 198 C LYS A 10 3.154 3.122 -1.844 1.00 0.00 C ATOM 199 O LYS A 10 2.984 2.055 -2.431 1.00 0.00 O ATOM 200 CB LYS A 10 2.195 4.394 0.162 1.00 0.00 C ATOM 201 CG LYS A 10 2.362 5.915 0.184 1.00 0.00 C ATOM 202 CD LYS A 10 3.470 6.330 1.153 1.00 0.00 C ATOM 203 CE LYS A 10 4.063 7.685 0.760 1.00 0.00 C ATOM 204 NZ LYS A 10 3.171 8.785 1.192 1.00 0.00 N ATOM 0 H LYS A 10 0.732 2.329 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 10 1.831 4.780 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.354 4.108 0.793 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.083 3.921 0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.597 6.273 -0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.423 6.384 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.071 6.384 2.166 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.255 5.574 1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.046 7.805 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 10 4.206 7.727 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.588 9.698 0.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.242 8.678 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.056 8.753 2.225 1.00 0.00 H new ATOM 218 N ALA A 11 4.335 3.697 -1.661 1.00 0.00 N ATOM 219 CA ALA A 11 5.552 3.082 -2.159 1.00 0.00 C ATOM 220 C ALA A 11 6.739 3.557 -1.319 1.00 0.00 C ATOM 221 O ALA A 11 6.894 4.754 -1.078 1.00 0.00 O ATOM 222 CB ALA A 11 5.720 3.410 -3.644 1.00 0.00 C ATOM 0 H ALA A 11 4.473 4.583 -1.174 1.00 0.00 H new ATOM 0 HA ALA A 11 5.498 1.997 -2.069 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.634 2.948 -4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.865 3.025 -4.201 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.781 4.491 -3.773 1.00 0.00 H new ATOM 228 N LYS A 12 7.548 2.596 -0.897 1.00 0.00 N ATOM 229 CA LYS A 12 8.716 2.902 -0.089 1.00 0.00 C ATOM 230 C LYS A 12 9.527 1.623 0.131 1.00 0.00 C ATOM 231 O LYS A 12 9.294 0.811 1.025 1.00 0.00 O ATOM 232 CB LYS A 12 8.303 3.598 1.209 1.00 0.00 C ATOM 233 CG LYS A 12 7.738 2.593 2.215 1.00 0.00 C ATOM 234 CD LYS A 12 6.827 3.285 3.231 1.00 0.00 C ATOM 235 CE LYS A 12 5.401 2.737 3.151 1.00 0.00 C ATOM 236 NZ LYS A 12 4.747 2.799 4.477 1.00 0.00 N ATOM 0 H LYS A 12 7.417 1.605 -1.100 1.00 0.00 H new ATOM 0 HA LYS A 12 9.365 3.607 -0.609 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.164 4.107 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.556 4.362 0.994 1.00 0.00 H new ATOM 0 HG2 LYS A 12 7.179 1.820 1.687 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.556 2.095 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 12 7.221 3.139 4.237 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.819 4.359 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 12 4.824 3.312 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.420 1.707 2.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.780 2.423 4.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.289 2.231 5.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.711 3.787 4.801 1.00 0.00 H new HETATM 250 N DPR A 13 10.550 1.434 -0.745 1.00 0.00 N HETATM 251 CA DPR A 13 11.548 0.335 -0.583 1.00 0.00 C HETATM 252 CB DPR A 13 12.640 0.804 -1.568 1.00 0.00 C HETATM 253 CG DPR A 13 11.881 1.514 -2.694 1.00 0.00 C HETATM 254 CD DPR A 13 10.739 2.232 -1.976 1.00 0.00 C HETATM 255 C DPR A 13 10.996 -1.115 -0.831 1.00 0.00 C HETATM 256 O DPR A 13 10.551 -1.466 -1.925 1.00 0.00 O HETATM 0 HG3 DPR A 13 12.522 2.217 -3.226 1.00 0.00 H new HETATM 0 HG2 DPR A 13 11.505 0.804 -3.431 1.00 0.00 H new HETATM 0 HD3 DPR A 13 9.834 2.254 -2.583 1.00 0.00 H new HETATM 0 HD2 DPR A 13 10.995 3.267 -1.748 1.00 0.00 H new HETATM 0 HB3 DPR A 13 13.346 1.477 -1.083 1.00 0.00 H new HETATM 0 HB2 DPR A 13 13.215 -0.039 -1.950 1.00 0.00 H new HETATM 0 HA DPR A 13 11.901 0.203 0.440 1.00 0.00 H new ATOM 264 N PRO A 14 11.059 -1.969 0.211 1.00 0.00 N ATOM 265 CA PRO A 14 10.749 -3.415 0.063 1.00 0.00 C ATOM 266 C PRO A 14 9.328 -3.802 -0.471 1.00 0.00 C ATOM 267 O PRO A 14 9.180 -4.290 -1.587 1.00 0.00 O ATOM 268 CB PRO A 14 11.068 -3.925 1.487 1.00 0.00 C ATOM 269 CG PRO A 14 10.867 -2.723 2.419 1.00 0.00 C ATOM 270 CD PRO A 14 11.311 -1.517 1.590 1.00 0.00 C ATOM 0 HA PRO A 14 11.327 -3.880 -0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.409 -4.748 1.764 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.090 -4.300 1.548 1.00 0.00 H new ATOM 0 HG2 PRO A 14 9.826 -2.630 2.728 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.462 -2.821 3.327 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.738 -0.623 1.835 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.362 -1.277 1.753 1.00 0.00 H new TER 278 PRO A 14