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+ 180:sc=-0.00341 (180deg=-0.00341) USER MOD Single : A 1 THR OG1 : rot -146:sc= 0.0484! 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+ 150:sc= -0.0116 (180deg=-0.844) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 8.188 -2.177 1.860 1.00 0.00 N ATOM 2 CA THR A 1 6.957 -1.907 2.581 1.00 0.00 C ATOM 3 C THR A 1 5.770 -1.873 1.617 1.00 0.00 C ATOM 4 O THR A 1 5.684 -2.692 0.703 1.00 0.00 O ATOM 5 CB THR A 1 7.141 -0.606 3.364 1.00 0.00 C ATOM 6 OG1 THR A 1 5.877 -0.392 3.987 1.00 0.00 O ATOM 7 CG2 THR A 1 7.316 0.608 2.449 1.00 0.00 C ATOM 0 H3 THR A 1 8.985 -2.197 2.528 1.00 0.00 H new ATOM 0 HA THR A 1 6.735 -2.702 3.293 1.00 0.00 H new ATOM 0 HB THR A 1 8.009 -0.696 4.018 1.00 0.00 H new ATOM 0 HG1 THR A 1 5.697 0.570 4.040 1.00 0.00 H new ATOM 0 HG21 THR A 1 7.443 1.505 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 1 8.196 0.467 1.821 1.00 0.00 H new ATOM 0 HG23 THR A 1 6.434 0.718 1.818 1.00 0.00 H new ATOM 15 N TRP A 2 4.885 -0.914 1.851 1.00 0.00 N ATOM 16 CA TRP A 2 3.707 -0.763 1.014 1.00 0.00 C ATOM 17 C TRP A 2 2.942 -2.088 1.027 1.00 0.00 C ATOM 18 O TRP A 2 3.476 -3.112 1.449 1.00 0.00 O ATOM 19 CB TRP A 2 4.092 -0.308 -0.396 1.00 0.00 C ATOM 20 CG TRP A 2 3.491 -1.166 -1.511 1.00 0.00 C ATOM 21 CD1 TRP A 2 3.629 -2.485 -1.704 1.00 0.00 C ATOM 22 CD2 TRP A 2 2.646 -0.707 -2.588 1.00 0.00 C ATOM 23 NE1 TRP A 2 2.939 -2.908 -2.820 1.00 0.00 N ATOM 24 CE2 TRP A 2 2.321 -1.793 -3.375 1.00 0.00 C ATOM 25 CE3 TRP A 2 2.172 0.582 -2.887 1.00 0.00 C ATOM 26 CZ2 TRP A 2 1.510 -1.700 -4.513 1.00 0.00 C ATOM 27 CZ3 TRP A 2 1.362 0.658 -4.026 1.00 0.00 C ATOM 28 CH2 TRP A 2 1.025 -0.425 -4.829 1.00 0.00 C ATOM 0 H TRP A 2 4.961 -0.234 2.608 1.00 0.00 H new ATOM 0 HA TRP A 2 3.054 0.018 1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 2 3.772 0.725 -0.534 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.178 -0.320 -0.487 1.00 0.00 H new ATOM 0 HD1 TRP A 2 4.208 -3.135 -1.065 1.00 0.00 H new ATOM 0 HE1 TRP A 2 2.891 -3.864 -3.174 1.00 0.00 H new ATOM 0 HE3 TRP A 2 2.414 1.446 -2.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 1.272 -2.565 -5.114 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 0.971 1.627 -4.300 1.00 0.00 H new ATOM 0 HH2 TRP A 2 0.392 -0.284 -5.693 1.00 0.00 H new ATOM 39 N LEU A 3 1.704 -2.024 0.561 1.00 0.00 N ATOM 40 CA LEU A 3 0.861 -3.206 0.514 1.00 0.00 C ATOM 41 C LEU A 3 -0.531 -2.815 0.015 1.00 0.00 C ATOM 42 O LEU A 3 -1.518 -2.965 0.735 1.00 0.00 O ATOM 43 CB LEU A 3 0.852 -3.912 1.871 1.00 0.00 C ATOM 44 CG LEU A 3 0.984 -5.437 1.835 1.00 0.00 C ATOM 45 CD1 LEU A 3 -0.360 -6.097 1.519 1.00 0.00 C ATOM 46 CD2 LEU A 3 2.080 -5.868 0.859 1.00 0.00 C ATOM 0 H LEU A 3 1.264 -1.172 0.213 1.00 0.00 H new ATOM 0 HA LEU A 3 1.262 -3.931 -0.194 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.668 -3.511 2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.076 -3.659 2.384 1.00 0.00 H new ATOM 0 HG LEU A 3 1.283 -5.778 2.826 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.238 -7.180 1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.087 -5.828 2.285 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.714 -5.754 0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 3 2.154 -6.955 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.835 -5.514 -0.143 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.033 -5.442 1.171 1.00 0.00 H new ATOM 58 N LYS A 4 -0.568 -2.320 -1.214 1.00 0.00 N ATOM 59 CA LYS A 4 -1.823 -1.906 -1.818 1.00 0.00 C ATOM 60 C LYS A 4 -2.921 -2.899 -1.433 1.00 0.00 C ATOM 61 O LYS A 4 -2.790 -4.099 -1.671 1.00 0.00 O ATOM 62 CB LYS A 4 -1.658 -1.727 -3.328 1.00 0.00 C ATOM 63 CG LYS A 4 -1.485 -3.078 -4.025 1.00 0.00 C ATOM 64 CD LYS A 4 -2.749 -3.462 -4.795 1.00 0.00 C ATOM 65 CE LYS A 4 -3.026 -4.963 -4.679 1.00 0.00 C ATOM 66 NZ LYS A 4 -2.576 -5.669 -5.900 1.00 0.00 N ATOM 0 H LYS A 4 0.252 -2.196 -1.808 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.126 -0.931 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.529 -1.213 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -0.793 -1.096 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.638 -3.033 -4.709 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.257 -3.846 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.600 -2.900 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.637 -3.189 -5.844 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.511 -5.367 -3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.092 -5.131 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.771 -6.686 -5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.086 -5.294 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.554 -5.523 -6.029 1.00 0.00 H new ATOM 80 N LYS A 5 -3.979 -2.362 -0.843 1.00 0.00 N ATOM 81 CA LYS A 5 -5.099 -3.187 -0.423 1.00 0.00 C ATOM 82 C LYS A 5 -6.349 -2.314 -0.292 1.00 0.00 C ATOM 83 O LYS A 5 -7.195 -2.296 -1.186 1.00 0.00 O ATOM 84 CB LYS A 5 -4.751 -3.955 0.854 1.00 0.00 C ATOM 85 CG LYS A 5 -5.120 -5.434 0.722 1.00 0.00 C ATOM 86 CD LYS A 5 -4.265 -6.298 1.652 1.00 0.00 C ATOM 87 CE LYS A 5 -4.926 -7.655 1.901 1.00 0.00 C ATOM 88 NZ LYS A 5 -5.938 -7.548 2.977 1.00 0.00 N ATOM 0 H LYS A 5 -4.084 -1.367 -0.646 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.315 -3.946 -1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -3.685 -3.860 1.061 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.281 -3.519 1.701 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.175 -5.572 0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.981 -5.756 -0.310 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.278 -6.445 1.213 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.118 -5.782 2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.397 -8.011 0.985 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.170 -8.390 2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -6.377 -8.477 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -5.479 -7.229 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.669 -6.862 2.699 1.00 0.00 H new ATOM 102 N ARG A 6 -6.426 -1.611 0.828 1.00 0.00 N ATOM 103 CA ARG A 6 -7.558 -0.737 1.086 1.00 0.00 C ATOM 104 C ARG A 6 -7.082 0.586 1.689 1.00 0.00 C ATOM 105 O ARG A 6 -6.734 0.646 2.868 1.00 0.00 O ATOM 106 CB ARG A 6 -8.556 -1.395 2.043 1.00 0.00 C ATOM 107 CG ARG A 6 -7.883 -1.763 3.367 1.00 0.00 C ATOM 108 CD ARG A 6 -8.290 -0.791 4.477 1.00 0.00 C ATOM 109 NE ARG A 6 -8.885 -1.536 5.609 1.00 0.00 N ATOM 110 CZ ARG A 6 -10.082 -2.135 5.567 1.00 0.00 C ATOM 111 NH1 ARG A 6 -10.821 -2.082 4.450 1.00 0.00 N ATOM 112 NH2 ARG A 6 -10.542 -2.789 6.643 1.00 0.00 N ATOM 0 H ARG A 6 -5.723 -1.629 1.567 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.054 -0.549 0.134 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -9.388 -0.716 2.230 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.972 -2.290 1.581 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.159 -2.779 3.649 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.800 -1.749 3.245 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.420 -0.230 4.817 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -9.006 -0.065 4.092 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.350 -1.597 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -10.472 -1.585 3.631 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -11.733 -2.539 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.980 -2.830 7.493 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -11.454 -3.245 6.611 1.00 0.00 H new ATOM 126 N ARG A 7 -7.081 1.614 0.853 1.00 0.00 N ATOM 127 CA ARG A 7 -6.652 2.932 1.288 1.00 0.00 C ATOM 128 C ARG A 7 -5.130 3.052 1.196 1.00 0.00 C ATOM 129 O ARG A 7 -4.590 4.158 1.203 1.00 0.00 O ATOM 130 CB ARG A 7 -7.091 3.207 2.728 1.00 0.00 C ATOM 131 CG ARG A 7 -7.653 4.623 2.870 1.00 0.00 C ATOM 132 CD ARG A 7 -9.011 4.606 3.574 1.00 0.00 C ATOM 133 NE ARG A 7 -9.614 5.957 3.542 1.00 0.00 N ATOM 134 CZ ARG A 7 -10.628 6.346 4.327 1.00 0.00 C ATOM 135 NH1 ARG A 7 -11.159 5.489 5.209 1.00 0.00 N ATOM 136 NH2 ARG A 7 -11.112 7.592 4.228 1.00 0.00 N ATOM 0 H ARG A 7 -7.371 1.561 -0.124 1.00 0.00 H new ATOM 0 HA ARG A 7 -7.119 3.666 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.847 2.481 3.026 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.243 3.079 3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -6.954 5.240 3.435 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.756 5.078 1.885 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.674 3.891 3.086 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.891 4.277 4.606 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.234 6.635 2.881 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.791 4.540 5.283 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -11.931 5.785 5.807 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.709 8.244 3.555 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.884 7.888 4.825 1.00 0.00 H new ATOM 150 N TRP A 8 -4.480 1.901 1.109 1.00 0.00 N ATOM 151 CA TRP A 8 -3.032 1.864 1.016 1.00 0.00 C ATOM 152 C TRP A 8 -2.646 2.084 -0.449 1.00 0.00 C ATOM 153 O TRP A 8 -3.098 1.354 -1.330 1.00 0.00 O ATOM 154 CB TRP A 8 -2.478 0.558 1.588 1.00 0.00 C ATOM 155 CG TRP A 8 -2.231 0.595 3.098 1.00 0.00 C ATOM 156 CD1 TRP A 8 -1.448 1.439 3.785 1.00 0.00 C ATOM 157 CD2 TRP A 8 -2.805 -0.287 4.085 1.00 0.00 C ATOM 158 NE1 TRP A 8 -1.475 1.165 5.138 1.00 0.00 N ATOM 159 CE2 TRP A 8 -2.327 0.083 5.325 1.00 0.00 C ATOM 160 CE3 TRP A 8 -3.699 -1.362 3.935 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -2.686 -0.570 6.512 1.00 0.00 C ATOM 162 CZ3 TRP A 8 -4.048 -2.003 5.130 1.00 0.00 C ATOM 163 CH2 TRP A 8 -3.575 -1.643 6.387 1.00 0.00 C ATOM 0 H TRP A 8 -4.931 0.986 1.101 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.588 2.657 1.617 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.175 -0.249 1.364 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.542 0.320 1.083 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.869 2.233 3.337 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.964 1.664 5.866 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -4.086 -1.669 2.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.297 -0.262 7.471 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -4.733 -2.836 5.071 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -3.892 -2.189 7.263 1.00 0.00 H new ATOM 174 N LYS A 9 -1.817 3.095 -0.664 1.00 0.00 N ATOM 175 CA LYS A 9 -1.367 3.421 -2.006 1.00 0.00 C ATOM 176 C LYS A 9 -0.028 4.158 -1.925 1.00 0.00 C ATOM 177 O LYS A 9 0.326 4.909 -2.833 1.00 0.00 O ATOM 178 CB LYS A 9 -2.450 4.195 -2.761 1.00 0.00 C ATOM 179 CG LYS A 9 -2.544 3.729 -4.216 1.00 0.00 C ATOM 180 CD LYS A 9 -2.504 4.918 -5.177 1.00 0.00 C ATOM 181 CE LYS A 9 -3.909 5.271 -5.669 1.00 0.00 C ATOM 182 NZ LYS A 9 -3.852 5.840 -7.034 1.00 0.00 N ATOM 0 H LYS A 9 -1.445 3.699 0.069 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.197 2.512 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.412 4.056 -2.268 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.228 5.262 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.721 3.050 -4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.468 3.169 -4.363 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.062 5.780 -4.677 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.865 4.681 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.536 4.380 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.370 5.987 -4.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.814 6.074 -7.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.270 6.702 -7.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.432 5.144 -7.683 1.00 0.00 H new ATOM 196 N LYS A 10 0.678 3.916 -0.831 1.00 0.00 N ATOM 197 CA LYS A 10 1.970 4.548 -0.620 1.00 0.00 C ATOM 198 C LYS A 10 3.081 3.540 -0.924 1.00 0.00 C ATOM 199 O LYS A 10 3.554 2.844 -0.027 1.00 0.00 O ATOM 200 CB LYS A 10 2.051 5.148 0.785 1.00 0.00 C ATOM 201 CG LYS A 10 2.721 6.523 0.756 1.00 0.00 C ATOM 202 CD LYS A 10 4.194 6.424 1.158 1.00 0.00 C ATOM 203 CE LYS A 10 4.809 7.814 1.331 1.00 0.00 C ATOM 204 NZ LYS A 10 5.890 8.029 0.343 1.00 0.00 N ATOM 0 H LYS A 10 0.381 3.292 -0.081 1.00 0.00 H new ATOM 0 HA LYS A 10 2.101 5.385 -1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.049 5.237 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.612 4.480 1.438 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.641 6.949 -0.244 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.200 7.200 1.433 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.284 5.864 2.089 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.746 5.870 0.398 1.00 0.00 H new ATOM 0 HE2 LYS A 10 4.040 8.576 1.209 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.205 7.920 2.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 5.950 9.041 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.795 7.712 0.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.685 7.486 -0.520 1.00 0.00 H new ATOM 218 N ALA A 11 3.465 3.495 -2.190 1.00 0.00 N ATOM 219 CA ALA A 11 4.512 2.584 -2.623 1.00 0.00 C ATOM 220 C ALA A 11 5.877 3.185 -2.287 1.00 0.00 C ATOM 221 O ALA A 11 6.063 4.398 -2.373 1.00 0.00 O ATOM 222 CB ALA A 11 4.353 2.296 -4.117 1.00 0.00 C ATOM 0 H ALA A 11 3.070 4.074 -2.931 1.00 0.00 H new ATOM 0 HA ALA A 11 4.433 1.632 -2.098 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.138 1.613 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.379 1.842 -4.298 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.429 3.228 -4.677 1.00 0.00 H new ATOM 228 N LYS A 12 6.798 2.310 -1.912 1.00 0.00 N ATOM 229 CA LYS A 12 8.141 2.740 -1.562 1.00 0.00 C ATOM 230 C LYS A 12 8.964 1.526 -1.129 1.00 0.00 C ATOM 231 O LYS A 12 9.398 1.364 0.011 1.00 0.00 O ATOM 232 CB LYS A 12 8.092 3.854 -0.514 1.00 0.00 C ATOM 233 CG LYS A 12 7.211 3.453 0.671 1.00 0.00 C ATOM 234 CD LYS A 12 6.918 4.658 1.568 1.00 0.00 C ATOM 235 CE LYS A 12 7.933 4.751 2.709 1.00 0.00 C ATOM 236 NZ LYS A 12 7.301 5.319 3.920 1.00 0.00 N ATOM 0 H LYS A 12 6.641 1.305 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 12 8.640 3.172 -2.430 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.101 4.074 -0.164 1.00 0.00 H new ATOM 0 HB3 LYS A 12 7.706 4.767 -0.966 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.275 3.030 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.707 2.675 1.251 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.947 5.572 0.976 1.00 0.00 H new ATOM 0 HD3 LYS A 12 5.911 4.575 1.978 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.332 3.761 2.930 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.775 5.373 2.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.004 5.375 4.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.942 6.272 3.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.513 4.710 4.218 1.00 0.00 H new HETATM 250 N DPR A 13 9.195 0.610 -2.108 1.00 0.00 N HETATM 251 CA DPR A 13 10.117 -0.550 -1.915 1.00 0.00 C HETATM 252 CB DPR A 13 10.436 -0.896 -3.386 1.00 0.00 C HETATM 253 CG DPR A 13 9.159 -0.556 -4.161 1.00 0.00 C HETATM 254 CD DPR A 13 8.632 0.702 -3.472 1.00 0.00 C HETATM 255 C DPR A 13 9.539 -1.731 -1.055 1.00 0.00 C HETATM 256 O DPR A 13 8.463 -2.268 -1.323 1.00 0.00 O HETATM 0 HG3 DPR A 13 9.368 -0.376 -5.215 1.00 0.00 H new HETATM 0 HG2 DPR A 13 8.435 -1.370 -4.114 1.00 0.00 H new HETATM 0 HD3 DPR A 13 7.542 0.724 -3.456 1.00 0.00 H new HETATM 0 HD2 DPR A 13 8.962 1.607 -3.982 1.00 0.00 H new HETATM 0 HB3 DPR A 13 11.285 -0.318 -3.752 1.00 0.00 H new HETATM 0 HB2 DPR A 13 10.696 -1.949 -3.496 1.00 0.00 H new HETATM 0 HA DPR A 13 10.996 -0.325 -1.312 1.00 0.00 H new ATOM 264 N PRO A 14 10.296 -2.147 -0.022 1.00 0.00 N ATOM 265 CA PRO A 14 9.963 -3.370 0.757 1.00 0.00 C ATOM 266 C PRO A 14 8.575 -3.414 1.482 1.00 0.00 C ATOM 267 O PRO A 14 8.201 -4.417 2.078 1.00 0.00 O ATOM 268 CB PRO A 14 11.189 -3.459 1.694 1.00 0.00 C ATOM 269 CG PRO A 14 11.709 -2.023 1.842 1.00 0.00 C ATOM 270 CD PRO A 14 11.449 -1.379 0.479 1.00 0.00 C ATOM 0 HA PRO A 14 9.809 -4.237 0.115 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.911 -3.876 2.662 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.955 -4.111 1.274 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.187 -1.492 2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.770 -2.009 2.092 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.221 -0.317 0.569 1.00 0.00 H new ATOM 0 HD3 PRO A 14 12.312 -1.465 -0.182 1.00 0.00 H new TER 278 PRO A 14