USER MOD reduce.3.24.130724 H: found=0, std=0, add=151, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 151 hydrogens (0 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 Single : A 1 ILE N :NH3+ -155:sc= -0.238 (180deg=-1.1) USER MOD Single : A 2 LYS NZ :NH3+ -100:sc= -4.47! (180deg=-5.55!) USER MOD Single : A 3 LYS NZ :NH3+ -170:sc=-0.00485 (180deg=-0.117) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 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 13 LYS NZ :NH3+ -150:sc= -2.22 (180deg=-4.58!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -9.190 4.600 1.344 1.00 1.36 N ATOM 2 CA ILE A 1 -9.322 4.491 -0.130 1.00 0.28 C ATOM 3 C ILE A 1 -8.460 3.356 -0.675 1.00 0.30 C ATOM 4 O ILE A 1 -8.836 2.682 -1.634 1.00 0.55 O ATOM 5 CB ILE A 1 -8.917 5.807 -0.828 1.00 1.48 C ATOM 6 CG1 ILE A 1 -9.707 6.981 -0.246 1.00 1.64 C ATOM 7 CG2 ILE A 1 -9.141 5.701 -2.331 1.00 2.51 C ATOM 8 CD1 ILE A 1 -9.242 8.333 -0.747 1.00 2.53 C ATOM 0 H1 ILE A 1 -10.044 5.045 1.737 1.00 1.36 H new ATOM 0 H2 ILE A 1 -9.075 3.651 1.753 1.00 1.36 H new ATOM 0 H3 ILE A 1 -8.359 5.180 1.576 1.00 1.36 H new ATOM 0 HA ILE A 1 -10.371 4.283 -0.341 1.00 0.28 H new ATOM 0 HB ILE A 1 -7.856 5.984 -0.651 1.00 1.48 H new ATOM 0 HG12 ILE A 1 -10.762 6.855 -0.491 1.00 1.64 H new ATOM 0 HG13 ILE A 1 -9.627 6.959 0.841 1.00 1.64 H new ATOM 0 HG21 ILE A 1 -8.851 6.637 -2.809 1.00 2.51 H new ATOM 0 HG22 ILE A 1 -8.538 4.886 -2.732 1.00 2.51 H new ATOM 0 HG23 ILE A 1 -10.195 5.504 -2.529 1.00 2.51 H new ATOM 0 HD11 ILE A 1 -9.847 9.117 -0.292 1.00 2.53 H new ATOM 0 HD12 ILE A 1 -8.196 8.480 -0.479 1.00 2.53 H new ATOM 0 HD13 ILE A 1 -9.348 8.375 -1.831 1.00 2.53 H new ATOM 22 N LYS A 2 -7.304 3.150 -0.053 1.00 0.08 N ATOM 23 CA LYS A 2 -6.386 2.096 -0.474 1.00 0.07 C ATOM 24 C LYS A 2 -6.593 0.823 0.344 1.00 0.08 C ATOM 25 O LYS A 2 -6.705 0.868 1.567 1.00 0.09 O ATOM 26 CB LYS A 2 -4.933 2.556 -0.323 1.00 0.08 C ATOM 27 CG LYS A 2 -4.527 3.678 -1.266 1.00 0.11 C ATOM 28 CD LYS A 2 -3.098 4.143 -1.003 1.00 0.12 C ATOM 29 CE LYS A 2 -3.020 5.094 0.184 1.00 0.62 C ATOM 30 NZ LYS A 2 -3.325 4.414 1.472 1.00 1.15 N ATOM 0 H LYS A 2 -6.980 3.698 0.744 1.00 0.08 H new ATOM 0 HA LYS A 2 -6.595 1.881 -1.522 1.00 0.07 H new ATOM 0 HB2 LYS A 2 -4.774 2.886 0.704 1.00 0.08 H new ATOM 0 HB3 LYS A 2 -4.276 1.703 -0.489 1.00 0.08 H new ATOM 0 HG2 LYS A 2 -4.615 3.337 -2.298 1.00 0.11 H new ATOM 0 HG3 LYS A 2 -5.211 4.518 -1.148 1.00 0.11 H new ATOM 0 HD2 LYS A 2 -2.463 3.277 -0.817 1.00 0.12 H new ATOM 0 HD3 LYS A 2 -2.708 4.639 -1.892 1.00 0.12 H new ATOM 0 HE2 LYS A 2 -2.022 5.530 0.233 1.00 0.62 H new ATOM 0 HE3 LYS A 2 -3.720 5.916 0.035 1.00 0.62 H new ATOM 0 HZ1 LYS A 2 -4.308 4.615 1.746 1.00 1.15 H new ATOM 0 HZ2 LYS A 2 -3.199 3.388 1.361 1.00 1.15 H new ATOM 0 HZ3 LYS A 2 -2.681 4.764 2.210 1.00 1.15 H new ATOM 44 N LYS A 3 -6.646 -0.311 -0.348 1.00 0.08 N ATOM 45 CA LYS A 3 -6.803 -1.604 0.304 1.00 0.09 C ATOM 46 C LYS A 3 -5.460 -2.315 0.298 1.00 0.06 C ATOM 47 O LYS A 3 -4.835 -2.501 1.341 1.00 0.07 O ATOM 48 CB LYS A 3 -7.855 -2.452 -0.416 1.00 0.12 C ATOM 49 CG LYS A 3 -9.223 -1.791 -0.485 1.00 0.17 C ATOM 50 CD LYS A 3 -10.201 -2.618 -1.304 1.00 0.70 C ATOM 51 CE LYS A 3 -11.546 -1.924 -1.432 1.00 1.36 C ATOM 52 NZ LYS A 3 -12.210 -1.749 -0.111 1.00 2.00 N ATOM 0 H LYS A 3 -6.582 -0.359 -1.365 1.00 0.08 H new ATOM 0 HA LYS A 3 -7.142 -1.455 1.329 1.00 0.09 H new ATOM 0 HB2 LYS A 3 -7.510 -2.662 -1.428 1.00 0.12 H new ATOM 0 HB3 LYS A 3 -7.949 -3.411 0.094 1.00 0.12 H new ATOM 0 HG2 LYS A 3 -9.614 -1.656 0.523 1.00 0.17 H new ATOM 0 HG3 LYS A 3 -9.127 -0.798 -0.925 1.00 0.17 H new ATOM 0 HD2 LYS A 3 -9.787 -2.796 -2.296 1.00 0.70 H new ATOM 0 HD3 LYS A 3 -10.336 -3.593 -0.835 1.00 0.70 H new ATOM 0 HE2 LYS A 3 -11.408 -0.950 -1.901 1.00 1.36 H new ATOM 0 HE3 LYS A 3 -12.193 -2.505 -2.089 1.00 1.36 H new ATOM 0 HZ1 LYS A 3 -13.189 -1.430 -0.254 1.00 2.00 H new ATOM 0 HZ2 LYS A 3 -12.213 -2.655 0.399 1.00 2.00 H new ATOM 0 HZ3 LYS A 3 -11.693 -1.040 0.446 1.00 2.00 H new ATOM 66 N ILE A 4 -5.029 -2.710 -0.893 1.00 0.05 N ATOM 67 CA ILE A 4 -3.740 -3.353 -1.068 1.00 0.05 C ATOM 68 C ILE A 4 -2.696 -2.286 -1.353 1.00 0.05 C ATOM 69 O ILE A 4 -1.538 -2.402 -0.955 1.00 0.09 O ATOM 70 CB ILE A 4 -3.769 -4.378 -2.220 1.00 0.09 C ATOM 71 CG1 ILE A 4 -4.768 -5.499 -1.915 1.00 0.13 C ATOM 72 CG2 ILE A 4 -2.378 -4.946 -2.472 1.00 0.11 C ATOM 73 CD1 ILE A 4 -4.423 -6.309 -0.682 1.00 0.56 C ATOM 0 H ILE A 4 -5.560 -2.594 -1.756 1.00 0.05 H new ATOM 0 HA ILE A 4 -3.493 -3.893 -0.154 1.00 0.05 H new ATOM 0 HB ILE A 4 -4.094 -3.867 -3.126 1.00 0.09 H new ATOM 0 HG12 ILE A 4 -5.759 -5.064 -1.787 1.00 0.13 H new ATOM 0 HG13 ILE A 4 -4.822 -6.168 -2.774 1.00 0.13 H new ATOM 0 HG21 ILE A 4 -2.422 -5.667 -3.288 1.00 0.11 H new ATOM 0 HG22 ILE A 4 -1.697 -4.137 -2.738 1.00 0.11 H new ATOM 0 HG23 ILE A 4 -2.018 -5.441 -1.570 1.00 0.11 H new ATOM 0 HD11 ILE A 4 -5.176 -7.082 -0.532 1.00 0.56 H new ATOM 0 HD12 ILE A 4 -3.446 -6.774 -0.814 1.00 0.56 H new ATOM 0 HD13 ILE A 4 -4.398 -5.654 0.189 1.00 0.56 H new ATOM 85 N LEU A 5 -3.133 -1.237 -2.043 1.00 0.05 N ATOM 86 CA LEU A 5 -2.268 -0.118 -2.376 1.00 0.07 C ATOM 87 C LEU A 5 -1.923 0.661 -1.115 1.00 0.06 C ATOM 88 O LEU A 5 -1.066 1.540 -1.129 1.00 0.08 O ATOM 89 CB LEU A 5 -2.945 0.806 -3.393 1.00 0.09 C ATOM 90 CG LEU A 5 -2.975 0.297 -4.839 1.00 0.26 C ATOM 91 CD1 LEU A 5 -1.565 0.074 -5.362 1.00 1.43 C ATOM 92 CD2 LEU A 5 -3.790 -0.979 -4.939 1.00 1.25 C ATOM 0 H LEU A 5 -4.090 -1.142 -2.383 1.00 0.05 H new ATOM 0 HA LEU A 5 -1.352 -0.508 -2.821 1.00 0.07 H new ATOM 0 HB2 LEU A 5 -3.970 0.983 -3.069 1.00 0.09 H new ATOM 0 HB3 LEU A 5 -2.435 1.769 -3.377 1.00 0.09 H new ATOM 0 HG LEU A 5 -3.451 1.058 -5.458 1.00 0.26 H new ATOM 0 HD11 LEU A 5 -1.611 -0.287 -6.389 1.00 1.43 H new ATOM 0 HD12 LEU A 5 -1.013 1.013 -5.332 1.00 1.43 H new ATOM 0 HD13 LEU A 5 -1.059 -0.664 -4.740 1.00 1.43 H new ATOM 0 HD21 LEU A 5 -3.799 -1.325 -5.973 1.00 1.25 H new ATOM 0 HD22 LEU A 5 -3.345 -1.745 -4.304 1.00 1.25 H new ATOM 0 HD23 LEU A 5 -4.811 -0.785 -4.612 1.00 1.25 H new ATOM 104 N SER A 6 -2.617 0.335 -0.026 1.00 0.05 N ATOM 105 CA SER A 6 -2.395 0.989 1.258 1.00 0.06 C ATOM 106 C SER A 6 -1.103 0.483 1.877 1.00 0.07 C ATOM 107 O SER A 6 -0.143 1.236 2.038 1.00 0.09 O ATOM 108 CB SER A 6 -3.567 0.730 2.201 1.00 0.07 C ATOM 109 OG SER A 6 -3.361 1.352 3.459 1.00 0.10 O ATOM 0 H SER A 6 -3.342 -0.383 -0.010 1.00 0.05 H new ATOM 0 HA SER A 6 -2.316 2.064 1.095 1.00 0.06 H new ATOM 0 HB2 SER A 6 -4.487 1.105 1.753 1.00 0.07 H new ATOM 0 HB3 SER A 6 -3.695 -0.344 2.340 1.00 0.07 H new ATOM 0 HG SER A 6 -4.127 1.171 4.043 1.00 0.10 H new ATOM 115 N LYS A 7 -1.087 -0.800 2.231 1.00 0.08 N ATOM 116 CA LYS A 7 0.105 -1.407 2.797 1.00 0.10 C ATOM 117 C LYS A 7 1.251 -1.233 1.814 1.00 0.10 C ATOM 118 O LYS A 7 2.422 -1.220 2.191 1.00 0.12 O ATOM 119 CB LYS A 7 -0.130 -2.891 3.085 1.00 0.13 C ATOM 120 CG LYS A 7 -0.527 -3.695 1.856 1.00 0.15 C ATOM 121 CD LYS A 7 -0.821 -5.146 2.205 1.00 0.21 C ATOM 122 CE LYS A 7 -2.063 -5.274 3.074 1.00 1.35 C ATOM 123 NZ LYS A 7 -2.345 -6.689 3.435 1.00 2.09 N ATOM 0 H LYS A 7 -1.882 -1.432 2.135 1.00 0.08 H new ATOM 0 HA LYS A 7 0.350 -0.920 3.741 1.00 0.10 H new ATOM 0 HB2 LYS A 7 0.778 -3.318 3.510 1.00 0.13 H new ATOM 0 HB3 LYS A 7 -0.911 -2.987 3.839 1.00 0.13 H new ATOM 0 HG2 LYS A 7 -1.407 -3.246 1.396 1.00 0.15 H new ATOM 0 HG3 LYS A 7 0.275 -3.653 1.119 1.00 0.15 H new ATOM 0 HD2 LYS A 7 -0.957 -5.721 1.289 1.00 0.21 H new ATOM 0 HD3 LYS A 7 0.034 -5.576 2.727 1.00 0.21 H new ATOM 0 HE2 LYS A 7 -1.932 -4.687 3.983 1.00 1.35 H new ATOM 0 HE3 LYS A 7 -2.920 -4.857 2.546 1.00 1.35 H new ATOM 0 HZ1 LYS A 7 -3.199 -6.733 4.027 1.00 2.09 H new ATOM 0 HZ2 LYS A 7 -2.495 -7.245 2.569 1.00 2.09 H new ATOM 0 HZ3 LYS A 7 -1.538 -7.080 3.962 1.00 2.09 H new ATOM 137 N ILE A 8 0.883 -1.094 0.542 1.00 0.09 N ATOM 138 CA ILE A 8 1.849 -0.891 -0.528 1.00 0.10 C ATOM 139 C ILE A 8 2.324 0.558 -0.550 1.00 0.08 C ATOM 140 O ILE A 8 3.489 0.837 -0.833 1.00 0.08 O ATOM 141 CB ILE A 8 1.237 -1.255 -1.898 1.00 0.11 C ATOM 142 CG1 ILE A 8 1.193 -2.776 -2.079 1.00 0.13 C ATOM 143 CG2 ILE A 8 2.019 -0.602 -3.029 1.00 0.11 C ATOM 144 CD1 ILE A 8 2.562 -3.430 -2.096 1.00 0.16 C ATOM 0 H ILE A 8 -0.087 -1.119 0.228 1.00 0.09 H new ATOM 0 HA ILE A 8 2.700 -1.545 -0.338 1.00 0.10 H new ATOM 0 HB ILE A 8 0.216 -0.875 -1.928 1.00 0.11 H new ATOM 0 HG12 ILE A 8 0.602 -3.212 -1.273 1.00 0.13 H new ATOM 0 HG13 ILE A 8 0.679 -3.007 -3.012 1.00 0.13 H new ATOM 0 HG21 ILE A 8 1.570 -0.872 -3.985 1.00 0.11 H new ATOM 0 HG22 ILE A 8 1.995 0.481 -2.910 1.00 0.11 H new ATOM 0 HG23 ILE A 8 3.053 -0.947 -3.003 1.00 0.11 H new ATOM 0 HD11 ILE A 8 2.450 -4.506 -2.228 1.00 0.16 H new ATOM 0 HD12 ILE A 8 3.149 -3.023 -2.919 1.00 0.16 H new ATOM 0 HD13 ILE A 8 3.072 -3.231 -1.153 1.00 0.16 H new ATOM 156 N LYS A 9 1.409 1.476 -0.253 1.00 0.08 N ATOM 157 CA LYS A 9 1.724 2.902 -0.233 1.00 0.07 C ATOM 158 C LYS A 9 2.960 3.178 0.617 1.00 0.04 C ATOM 159 O LYS A 9 3.717 4.112 0.346 1.00 0.07 O ATOM 160 CB LYS A 9 0.536 3.697 0.310 1.00 0.11 C ATOM 161 CG LYS A 9 0.661 5.196 0.102 1.00 0.17 C ATOM 162 CD LYS A 9 0.407 5.963 1.390 1.00 0.31 C ATOM 163 CE LYS A 9 0.660 7.452 1.211 1.00 0.95 C ATOM 164 NZ LYS A 9 0.437 8.210 2.474 1.00 1.63 N ATOM 0 H LYS A 9 0.440 1.257 -0.022 1.00 0.08 H new ATOM 0 HA LYS A 9 1.931 3.216 -1.256 1.00 0.07 H new ATOM 0 HB2 LYS A 9 -0.376 3.347 -0.173 1.00 0.11 H new ATOM 0 HB3 LYS A 9 0.431 3.494 1.376 1.00 0.11 H new ATOM 0 HG2 LYS A 9 1.658 5.430 -0.271 1.00 0.17 H new ATOM 0 HG3 LYS A 9 -0.048 5.519 -0.660 1.00 0.17 H new ATOM 0 HD2 LYS A 9 -0.622 5.804 1.713 1.00 0.31 H new ATOM 0 HD3 LYS A 9 1.052 5.575 2.179 1.00 0.31 H new ATOM 0 HE2 LYS A 9 1.684 7.608 0.870 1.00 0.95 H new ATOM 0 HE3 LYS A 9 0.003 7.841 0.433 1.00 0.95 H new ATOM 0 HZ1 LYS A 9 0.620 9.220 2.309 1.00 1.63 H new ATOM 0 HZ2 LYS A 9 -0.547 8.083 2.786 1.00 1.63 H new ATOM 0 HZ3 LYS A 9 1.082 7.857 3.209 1.00 1.63 H new ATOM 178 N LYS A 10 3.157 2.361 1.647 1.00 0.06 N ATOM 179 CA LYS A 10 4.299 2.517 2.542 1.00 0.10 C ATOM 180 C LYS A 10 5.492 1.708 2.047 1.00 0.11 C ATOM 181 O LYS A 10 6.641 2.024 2.359 1.00 0.16 O ATOM 182 CB LYS A 10 3.925 2.077 3.959 1.00 0.15 C ATOM 183 CG LYS A 10 2.767 2.860 4.556 1.00 0.20 C ATOM 184 CD LYS A 10 2.379 2.320 5.921 1.00 0.28 C ATOM 185 CE LYS A 10 1.228 3.108 6.524 1.00 1.21 C ATOM 186 NZ LYS A 10 0.814 2.561 7.846 1.00 2.02 N ATOM 0 H LYS A 10 2.540 1.584 1.883 1.00 0.06 H new ATOM 0 HA LYS A 10 4.577 3.571 2.556 1.00 0.10 H new ATOM 0 HB2 LYS A 10 3.667 1.018 3.945 1.00 0.15 H new ATOM 0 HB3 LYS A 10 4.796 2.184 4.605 1.00 0.15 H new ATOM 0 HG2 LYS A 10 3.043 3.911 4.644 1.00 0.20 H new ATOM 0 HG3 LYS A 10 1.909 2.811 3.886 1.00 0.20 H new ATOM 0 HD2 LYS A 10 2.096 1.271 5.832 1.00 0.28 H new ATOM 0 HD3 LYS A 10 3.240 2.362 6.588 1.00 0.28 H new ATOM 0 HE2 LYS A 10 1.523 4.151 6.639 1.00 1.21 H new ATOM 0 HE3 LYS A 10 0.378 3.090 5.841 1.00 1.21 H new ATOM 0 HZ1 LYS A 10 0.027 3.126 8.224 1.00 2.02 H new ATOM 0 HZ2 LYS A 10 0.509 1.573 7.733 1.00 2.02 H new ATOM 0 HZ3 LYS A 10 1.617 2.602 8.505 1.00 2.02 H new ATOM 200 N LEU A 11 5.211 0.664 1.274 1.00 0.08 N ATOM 201 CA LEU A 11 6.259 -0.194 0.737 1.00 0.12 C ATOM 202 C LEU A 11 6.851 0.385 -0.546 1.00 0.13 C ATOM 203 O LEU A 11 8.005 0.808 -0.566 1.00 0.17 O ATOM 204 CB LEU A 11 5.710 -1.599 0.473 1.00 0.13 C ATOM 205 CG LEU A 11 5.286 -2.376 1.724 1.00 0.13 C ATOM 206 CD1 LEU A 11 4.611 -3.681 1.337 1.00 0.16 C ATOM 207 CD2 LEU A 11 6.489 -2.641 2.618 1.00 0.18 C ATOM 0 H LEU A 11 4.265 0.392 1.006 1.00 0.08 H new ATOM 0 HA LEU A 11 7.055 -0.252 1.480 1.00 0.12 H new ATOM 0 HB2 LEU A 11 4.852 -1.518 -0.194 1.00 0.13 H new ATOM 0 HB3 LEU A 11 6.470 -2.176 -0.054 1.00 0.13 H new ATOM 0 HG LEU A 11 4.570 -1.771 2.280 1.00 0.13 H new ATOM 0 HD11 LEU A 11 4.317 -4.220 2.238 1.00 0.16 H new ATOM 0 HD12 LEU A 11 3.727 -3.469 0.736 1.00 0.16 H new ATOM 0 HD13 LEU A 11 5.305 -4.292 0.759 1.00 0.16 H new ATOM 0 HD21 LEU A 11 6.171 -3.194 3.502 1.00 0.18 H new ATOM 0 HD22 LEU A 11 7.227 -3.227 2.070 1.00 0.18 H new ATOM 0 HD23 LEU A 11 6.932 -1.693 2.923 1.00 0.18 H new ATOM 219 N LEU A 12 6.058 0.403 -1.617 1.00 0.12 N ATOM 220 CA LEU A 12 6.525 0.932 -2.895 1.00 0.16 C ATOM 221 C LEU A 12 5.511 1.885 -3.528 1.00 0.18 C ATOM 222 O LEU A 12 5.712 3.100 -3.532 1.00 0.26 O ATOM 223 CB LEU A 12 6.842 -0.209 -3.870 1.00 0.24 C ATOM 224 CG LEU A 12 5.883 -1.400 -3.826 1.00 0.19 C ATOM 225 CD1 LEU A 12 5.712 -1.995 -5.215 1.00 0.30 C ATOM 226 CD2 LEU A 12 6.393 -2.456 -2.858 1.00 0.24 C ATOM 0 H LEU A 12 5.097 0.060 -1.625 1.00 0.12 H new ATOM 0 HA LEU A 12 7.434 1.497 -2.691 1.00 0.16 H new ATOM 0 HB2 LEU A 12 6.847 0.193 -4.883 1.00 0.24 H new ATOM 0 HB3 LEU A 12 7.850 -0.569 -3.665 1.00 0.24 H new ATOM 0 HG LEU A 12 4.912 -1.049 -3.477 1.00 0.19 H new ATOM 0 HD11 LEU A 12 5.027 -2.841 -5.166 1.00 0.30 H new ATOM 0 HD12 LEU A 12 5.307 -1.239 -5.888 1.00 0.30 H new ATOM 0 HD13 LEU A 12 6.679 -2.332 -5.588 1.00 0.30 H new ATOM 0 HD21 LEU A 12 5.700 -3.297 -2.838 1.00 0.24 H new ATOM 0 HD22 LEU A 12 7.374 -2.803 -3.182 1.00 0.24 H new ATOM 0 HD23 LEU A 12 6.471 -2.027 -1.859 1.00 0.24 H new ATOM 238 N LYS A 13 4.422 1.329 -4.056 1.00 0.24 N ATOM 239 CA LYS A 13 3.389 2.124 -4.716 1.00 0.34 C ATOM 240 C LYS A 13 3.984 2.946 -5.858 1.00 0.74 C ATOM 241 O LYS A 13 3.970 2.456 -7.007 1.00 1.46 O ATOM 242 CB LYS A 13 2.678 3.044 -3.717 1.00 0.26 C ATOM 243 CG LYS A 13 1.724 4.026 -4.379 1.00 0.26 C ATOM 244 CD LYS A 13 0.889 4.783 -3.357 1.00 0.77 C ATOM 245 CE LYS A 13 -0.408 4.056 -3.040 1.00 0.29 C ATOM 246 NZ LYS A 13 -1.101 3.595 -4.275 1.00 1.13 N ATOM 247 OXT LYS A 13 4.461 4.071 -5.596 1.00 1.39 O ATOM 0 H LYS A 13 4.232 0.327 -4.039 1.00 0.24 H new ATOM 0 HA LYS A 13 2.654 1.434 -5.130 1.00 0.34 H new ATOM 0 HB2 LYS A 13 2.124 2.435 -3.003 1.00 0.26 H new ATOM 0 HB3 LYS A 13 3.425 3.600 -3.150 1.00 0.26 H new ATOM 0 HG2 LYS A 13 2.293 4.735 -4.980 1.00 0.26 H new ATOM 0 HG3 LYS A 13 1.064 3.488 -5.060 1.00 0.26 H new ATOM 0 HD2 LYS A 13 1.466 4.914 -2.441 1.00 0.77 H new ATOM 0 HD3 LYS A 13 0.664 5.779 -3.737 1.00 0.77 H new ATOM 0 HE2 LYS A 13 -0.197 3.199 -2.400 1.00 0.29 H new ATOM 0 HE3 LYS A 13 -1.068 4.718 -2.479 1.00 0.29 H new ATOM 0 HZ1 LYS A 13 -2.128 3.580 -4.112 1.00 1.13 H new ATOM 0 HZ2 LYS A 13 -0.884 4.244 -5.058 1.00 1.13 H new ATOM 0 HZ3 LYS A 13 -0.776 2.638 -4.519 1.00 1.13 H new TER 261 LYS A 13