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 66:sc= 1.2 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 8.091 -2.817 0.215 1.00 0.00 N ATOM 2 CA THR A 1 7.057 -3.322 -0.671 1.00 0.00 C ATOM 3 C THR A 1 5.675 -2.878 -0.188 1.00 0.00 C ATOM 4 O THR A 1 5.383 -2.936 1.006 1.00 0.00 O ATOM 5 CB THR A 1 7.210 -4.842 -0.758 1.00 0.00 C ATOM 6 OG1 THR A 1 7.996 -5.045 -1.930 1.00 0.00 O ATOM 7 CG2 THR A 1 5.889 -5.547 -1.069 1.00 0.00 C ATOM 0 H3 THR A 1 9.023 -3.127 -0.127 1.00 0.00 H new ATOM 0 HA THR A 1 7.163 -2.911 -1.675 1.00 0.00 H new ATOM 0 HB THR A 1 7.610 -5.221 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 1 8.891 -4.671 -1.792 1.00 0.00 H new ATOM 0 HG21 THR A 1 6.054 -6.623 -1.120 1.00 0.00 H new ATOM 0 HG22 THR A 1 5.166 -5.327 -0.284 1.00 0.00 H new ATOM 0 HG23 THR A 1 5.504 -5.194 -2.026 1.00 0.00 H new ATOM 15 N TRP A 2 4.862 -2.443 -1.140 1.00 0.00 N ATOM 16 CA TRP A 2 3.519 -1.988 -0.825 1.00 0.00 C ATOM 17 C TRP A 2 2.582 -3.195 -0.895 1.00 0.00 C ATOM 18 O TRP A 2 2.711 -4.034 -1.786 1.00 0.00 O ATOM 19 CB TRP A 2 3.094 -0.848 -1.754 1.00 0.00 C ATOM 20 CG TRP A 2 3.971 -0.700 -2.998 1.00 0.00 C ATOM 21 CD1 TRP A 2 5.253 -0.312 -3.064 1.00 0.00 C ATOM 22 CD2 TRP A 2 3.577 -0.955 -4.363 1.00 0.00 C ATOM 23 NE1 TRP A 2 5.711 -0.298 -4.366 1.00 0.00 N ATOM 24 CE2 TRP A 2 4.659 -0.702 -5.180 1.00 0.00 C ATOM 25 CE3 TRP A 2 2.347 -1.386 -4.889 1.00 0.00 C ATOM 26 CZ2 TRP A 2 4.620 -0.851 -6.572 1.00 0.00 C ATOM 27 CZ3 TRP A 2 2.323 -1.530 -6.281 1.00 0.00 C ATOM 28 CH2 TRP A 2 3.404 -1.279 -7.118 1.00 0.00 C ATOM 0 H TRP A 2 5.108 -2.396 -2.129 1.00 0.00 H new ATOM 0 HA TRP A 2 3.479 -1.574 0.182 1.00 0.00 H new ATOM 0 HB2 TRP A 2 2.063 -1.013 -2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 2 3.112 0.088 -1.196 1.00 0.00 H new ATOM 0 HD1 TRP A 2 5.852 -0.044 -2.206 1.00 0.00 H new ATOM 0 HE1 TRP A 2 6.648 -0.039 -4.674 1.00 0.00 H new ATOM 0 HE3 TRP A 2 1.488 -1.590 -4.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 5.481 -0.647 -7.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 1.401 -1.859 -6.736 1.00 0.00 H new ATOM 0 HH2 TRP A 2 3.306 -1.414 -8.185 1.00 0.00 H new ATOM 39 N LEU A 3 1.661 -3.246 0.056 1.00 0.00 N ATOM 40 CA LEU A 3 0.704 -4.338 0.113 1.00 0.00 C ATOM 41 C LEU A 3 -0.556 -3.946 -0.662 1.00 0.00 C ATOM 42 O LEU A 3 -1.097 -4.749 -1.422 1.00 0.00 O ATOM 43 CB LEU A 3 0.434 -4.738 1.565 1.00 0.00 C ATOM 44 CG LEU A 3 -0.391 -6.010 1.767 1.00 0.00 C ATOM 45 CD1 LEU A 3 0.271 -6.936 2.789 1.00 0.00 C ATOM 46 CD2 LEU A 3 -1.834 -5.674 2.149 1.00 0.00 C ATOM 0 H LEU A 3 1.557 -2.549 0.793 1.00 0.00 H new ATOM 0 HA LEU A 3 1.111 -5.228 -0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.391 -4.866 2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.080 -3.913 2.059 1.00 0.00 H new ATOM 0 HG LEU A 3 -0.426 -6.548 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.336 -7.833 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.264 -7.216 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.357 -6.420 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.398 -6.596 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -1.841 -5.103 3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.292 -5.083 1.356 1.00 0.00 H new ATOM 58 N LYS A 4 -0.988 -2.712 -0.442 1.00 0.00 N ATOM 59 CA LYS A 4 -2.174 -2.205 -1.110 1.00 0.00 C ATOM 60 C LYS A 4 -3.410 -2.919 -0.559 1.00 0.00 C ATOM 61 O LYS A 4 -3.431 -4.145 -0.463 1.00 0.00 O ATOM 62 CB LYS A 4 -2.024 -2.319 -2.629 1.00 0.00 C ATOM 63 CG LYS A 4 -3.112 -1.521 -3.349 1.00 0.00 C ATOM 64 CD LYS A 4 -3.867 -2.400 -4.348 1.00 0.00 C ATOM 65 CE LYS A 4 -4.077 -1.667 -5.674 1.00 0.00 C ATOM 66 NZ LYS A 4 -2.978 -1.975 -6.616 1.00 0.00 N ATOM 0 H LYS A 4 -0.538 -2.049 0.189 1.00 0.00 H new ATOM 0 HA LYS A 4 -2.301 -1.142 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -1.042 -1.954 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -2.080 -3.366 -2.926 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.810 -1.111 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -2.663 -0.675 -3.870 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.310 -3.321 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.832 -2.686 -3.930 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -5.031 -1.960 -6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.123 -0.592 -5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.136 -1.469 -7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -2.072 -1.673 -6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.952 -2.999 -6.797 1.00 0.00 H new ATOM 80 N LYS A 5 -4.409 -2.122 -0.213 1.00 0.00 N ATOM 81 CA LYS A 5 -5.646 -2.663 0.326 1.00 0.00 C ATOM 82 C LYS A 5 -6.713 -1.567 0.340 1.00 0.00 C ATOM 83 O LYS A 5 -7.845 -1.792 -0.085 1.00 0.00 O ATOM 84 CB LYS A 5 -5.400 -3.300 1.696 1.00 0.00 C ATOM 85 CG LYS A 5 -6.545 -4.241 2.075 1.00 0.00 C ATOM 86 CD LYS A 5 -6.308 -5.646 1.520 1.00 0.00 C ATOM 87 CE LYS A 5 -7.601 -6.464 1.526 1.00 0.00 C ATOM 88 NZ LYS A 5 -7.343 -7.839 2.011 1.00 0.00 N ATOM 0 H LYS A 5 -4.388 -1.106 -0.295 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.021 -3.465 -0.310 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.460 -3.852 1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.300 -2.520 2.451 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.639 -4.286 3.160 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.486 -3.848 1.690 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.921 -5.579 0.503 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.550 -6.153 2.117 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.341 -5.980 2.163 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.020 -6.499 0.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.231 -8.380 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -6.653 -8.303 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.964 -7.800 2.979 1.00 0.00 H new ATOM 102 N ARG A 6 -6.315 -0.404 0.835 1.00 0.00 N ATOM 103 CA ARG A 6 -7.224 0.727 0.911 1.00 0.00 C ATOM 104 C ARG A 6 -6.490 1.964 1.431 1.00 0.00 C ATOM 105 O ARG A 6 -7.019 2.703 2.259 1.00 0.00 O ATOM 106 CB ARG A 6 -8.409 0.422 1.829 1.00 0.00 C ATOM 107 CG ARG A 6 -9.668 1.154 1.362 1.00 0.00 C ATOM 108 CD ARG A 6 -10.665 0.181 0.728 1.00 0.00 C ATOM 109 NE ARG A 6 -11.320 -0.627 1.779 1.00 0.00 N ATOM 110 CZ ARG A 6 -12.273 -1.540 1.540 1.00 0.00 C ATOM 111 NH1 ARG A 6 -12.685 -1.766 0.285 1.00 0.00 N ATOM 112 NH2 ARG A 6 -12.811 -2.228 2.556 1.00 0.00 N ATOM 0 H ARG A 6 -5.375 -0.221 1.187 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.599 0.918 -0.095 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.594 -0.652 1.845 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -8.169 0.720 2.850 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -10.135 1.658 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -9.398 1.925 0.641 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -11.415 0.733 0.162 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.151 -0.472 0.023 1.00 0.00 H new ATOM 0 HE ARG A 6 -11.029 -0.481 2.746 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.274 -1.244 -0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -13.410 -2.460 0.103 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.496 -2.057 3.511 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.536 -2.922 2.375 1.00 0.00 H new ATOM 126 N ARG A 7 -5.279 2.151 0.925 1.00 0.00 N ATOM 127 CA ARG A 7 -4.467 3.286 1.329 1.00 0.00 C ATOM 128 C ARG A 7 -2.983 2.974 1.128 1.00 0.00 C ATOM 129 O ARG A 7 -2.160 3.884 1.031 1.00 0.00 O ATOM 130 CB ARG A 7 -4.710 3.644 2.796 1.00 0.00 C ATOM 131 CG ARG A 7 -5.681 4.822 2.919 1.00 0.00 C ATOM 132 CD ARG A 7 -6.493 4.730 4.211 1.00 0.00 C ATOM 133 NE ARG A 7 -7.855 5.265 3.992 1.00 0.00 N ATOM 134 CZ ARG A 7 -8.688 5.628 4.977 1.00 0.00 C ATOM 135 NH1 ARG A 7 -8.303 5.516 6.256 1.00 0.00 N ATOM 136 NH2 ARG A 7 -9.906 6.104 4.684 1.00 0.00 N ATOM 0 H ARG A 7 -4.841 1.536 0.239 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.752 4.135 0.708 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -5.113 2.779 3.323 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -3.764 3.897 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.125 5.759 2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.354 4.834 2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -6.550 3.693 4.542 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -5.996 5.290 5.003 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.181 5.364 3.030 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.376 5.154 6.480 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.937 5.792 7.006 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.199 6.190 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.540 6.380 5.434 1.00 0.00 H new ATOM 150 N TRP A 8 -2.684 1.684 1.072 1.00 0.00 N ATOM 151 CA TRP A 8 -1.312 1.241 0.884 1.00 0.00 C ATOM 152 C TRP A 8 -1.044 1.157 -0.620 1.00 0.00 C ATOM 153 O TRP A 8 -0.507 0.161 -1.104 1.00 0.00 O ATOM 154 CB TRP A 8 -1.060 -0.082 1.611 1.00 0.00 C ATOM 155 CG TRP A 8 -1.132 0.022 3.135 1.00 0.00 C ATOM 156 CD1 TRP A 8 -0.204 0.501 3.975 1.00 0.00 C ATOM 157 CD2 TRP A 8 -2.236 -0.383 3.973 1.00 0.00 C ATOM 158 NE1 TRP A 8 -0.626 0.435 5.287 1.00 0.00 N ATOM 159 CE2 TRP A 8 -1.901 -0.121 5.286 1.00 0.00 C ATOM 160 CE3 TRP A 8 -3.475 -0.953 3.633 1.00 0.00 C ATOM 161 CZ2 TRP A 8 -2.751 -0.395 6.364 1.00 0.00 C ATOM 162 CZ3 TRP A 8 -4.314 -1.221 4.722 1.00 0.00 C ATOM 163 CH2 TRP A 8 -3.992 -0.962 6.049 1.00 0.00 C ATOM 0 H TRP A 8 -3.368 0.932 1.153 1.00 0.00 H new ATOM 0 HA TRP A 8 -0.613 1.953 1.323 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.791 -0.816 1.272 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.077 -0.458 1.329 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.754 0.890 3.664 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.100 0.738 6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.758 -1.167 2.613 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.465 -0.181 7.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -5.279 -1.660 4.516 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -4.696 -1.197 6.834 1.00 0.00 H new ATOM 174 N LYS A 9 -1.431 2.215 -1.317 1.00 0.00 N ATOM 175 CA LYS A 9 -1.239 2.273 -2.756 1.00 0.00 C ATOM 176 C LYS A 9 -0.386 3.495 -3.103 1.00 0.00 C ATOM 177 O LYS A 9 -0.568 4.105 -4.157 1.00 0.00 O ATOM 178 CB LYS A 9 -2.588 2.240 -3.479 1.00 0.00 C ATOM 179 CG LYS A 9 -2.396 2.132 -4.993 1.00 0.00 C ATOM 180 CD LYS A 9 -3.326 3.094 -5.734 1.00 0.00 C ATOM 181 CE LYS A 9 -4.248 2.337 -6.693 1.00 0.00 C ATOM 182 NZ LYS A 9 -5.553 2.067 -6.052 1.00 0.00 N ATOM 0 H LYS A 9 -1.876 3.039 -0.912 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.696 1.394 -3.103 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.175 1.394 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.153 3.142 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.360 2.353 -5.248 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.592 1.110 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.924 3.654 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.734 3.821 -6.291 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.396 2.921 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.781 1.398 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.166 1.553 -6.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.408 1.491 -5.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.004 2.967 -5.790 1.00 0.00 H new ATOM 196 N LYS A 10 0.527 3.816 -2.198 1.00 0.00 N ATOM 197 CA LYS A 10 1.409 4.954 -2.395 1.00 0.00 C ATOM 198 C LYS A 10 2.862 4.496 -2.260 1.00 0.00 C ATOM 199 O LYS A 10 3.773 5.320 -2.197 1.00 0.00 O ATOM 200 CB LYS A 10 1.032 6.094 -1.448 1.00 0.00 C ATOM 201 CG LYS A 10 1.466 7.446 -2.017 1.00 0.00 C ATOM 202 CD LYS A 10 2.028 8.349 -0.917 1.00 0.00 C ATOM 203 CE LYS A 10 2.697 9.590 -1.514 1.00 0.00 C ATOM 204 NZ LYS A 10 3.453 10.322 -0.474 1.00 0.00 N ATOM 0 H LYS A 10 0.675 3.308 -1.326 1.00 0.00 H new ATOM 0 HA LYS A 10 1.294 5.356 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.046 6.094 -1.284 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.502 5.936 -0.478 1.00 0.00 H new ATOM 0 HG2 LYS A 10 2.221 7.294 -2.789 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.616 7.934 -2.494 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.225 8.652 -0.245 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.751 7.794 -0.320 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.368 9.296 -2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.941 10.243 -1.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.900 11.161 -0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.804 10.619 0.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.187 9.701 -0.077 1.00 0.00 H new ATOM 218 N ALA A 11 3.034 3.183 -2.218 1.00 0.00 N ATOM 219 CA ALA A 11 4.362 2.606 -2.092 1.00 0.00 C ATOM 220 C ALA A 11 5.020 3.127 -0.812 1.00 0.00 C ATOM 221 O ALA A 11 5.366 4.304 -0.724 1.00 0.00 O ATOM 222 CB ALA A 11 5.182 2.931 -3.342 1.00 0.00 C ATOM 0 H ALA A 11 2.276 2.502 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 11 4.302 1.520 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.178 2.498 -3.247 1.00 0.00 H new ATOM 0 HB2 ALA A 11 4.688 2.515 -4.220 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.266 4.012 -3.451 1.00 0.00 H new ATOM 228 N LYS A 12 5.172 2.225 0.147 1.00 0.00 N ATOM 229 CA LYS A 12 5.782 2.579 1.417 1.00 0.00 C ATOM 230 C LYS A 12 7.004 1.691 1.656 1.00 0.00 C ATOM 231 O LYS A 12 6.960 0.615 2.253 1.00 0.00 O ATOM 232 CB LYS A 12 4.748 2.519 2.543 1.00 0.00 C ATOM 233 CG LYS A 12 5.307 3.120 3.834 1.00 0.00 C ATOM 234 CD LYS A 12 4.520 4.367 4.245 1.00 0.00 C ATOM 235 CE LYS A 12 5.443 5.419 4.862 1.00 0.00 C ATOM 236 NZ LYS A 12 4.657 6.414 5.626 1.00 0.00 N ATOM 0 H LYS A 12 4.883 1.250 0.070 1.00 0.00 H new ATOM 0 HA LYS A 12 6.136 3.610 1.395 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.849 3.060 2.245 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.454 1.484 2.717 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.264 2.379 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.357 3.378 3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.016 4.786 3.374 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.745 4.093 4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.166 4.936 5.519 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.010 5.920 4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.299 7.121 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.984 6.887 4.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.136 5.934 6.387 1.00 0.00 H new HETATM 250 N DPR A 13 8.172 2.173 1.156 1.00 0.00 N HETATM 251 CA DPR A 13 9.490 1.529 1.440 1.00 0.00 C HETATM 252 CB DPR A 13 10.449 2.664 1.021 1.00 0.00 C HETATM 253 CG DPR A 13 9.741 3.376 -0.135 1.00 0.00 C HETATM 254 CD DPR A 13 8.264 3.346 0.259 1.00 0.00 C HETATM 255 C DPR A 13 9.728 0.148 0.727 1.00 0.00 C HETATM 256 O DPR A 13 9.769 0.045 -0.500 1.00 0.00 O HETATM 0 HG3 DPR A 13 10.101 4.398 -0.255 1.00 0.00 H new HETATM 0 HG2 DPR A 13 9.912 2.865 -1.083 1.00 0.00 H new HETATM 0 HD3 DPR A 13 7.618 3.237 -0.612 1.00 0.00 H new HETATM 0 HD2 DPR A 13 7.965 4.264 0.765 1.00 0.00 H new HETATM 0 HB3 DPR A 13 10.637 3.347 1.849 1.00 0.00 H new HETATM 0 HB2 DPR A 13 11.415 2.269 0.708 1.00 0.00 H new HETATM 0 HA DPR A 13 9.614 1.204 2.473 1.00 0.00 H new ATOM 264 N PRO A 14 9.913 -0.917 1.531 1.00 0.00 N ATOM 265 CA PRO A 14 10.334 -2.241 0.999 1.00 0.00 C ATOM 266 C PRO A 14 9.401 -2.927 -0.057 1.00 0.00 C ATOM 267 O PRO A 14 9.844 -3.337 -1.124 1.00 0.00 O ATOM 268 CB PRO A 14 10.523 -3.034 2.312 1.00 0.00 C ATOM 269 CG PRO A 14 9.596 -2.370 3.340 1.00 0.00 C ATOM 270 CD PRO A 14 9.620 -0.885 2.974 1.00 0.00 C ATOM 0 HA PRO A 14 11.223 -2.169 0.372 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.266 -4.084 2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.561 -3.001 2.643 1.00 0.00 H new ATOM 0 HG2 PRO A 14 8.586 -2.776 3.284 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.950 -2.534 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 14 8.667 -0.400 3.184 1.00 0.00 H new ATOM 0 HD3 PRO A 14 10.383 -0.342 3.531 1.00 0.00 H new TER 278 PRO A 14