USER MOD reduce.3.24.130724 H: found=0, std=0, add=151, rem=0, adj=7 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+ -151:sc= -2.03! (180deg=-3.27!) USER MOD Single : A 2 LYS NZ :NH3+ -160:sc= -0.0908 (180deg=-0.49) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 137:sc= -0.909 (180deg=-1.88!) USER MOD Single : A 9 LYS NZ :NH3+ 167:sc= -0.0312 (180deg=-0.289) USER MOD Single : A 10 LYS NZ :NH3+ 167:sc= -0.0368 (180deg=-0.247) USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= -4.86! (180deg=-5.03!) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -10.149 4.933 -0.571 1.00 1.36 N ATOM 2 CA ILE A 1 -9.403 4.224 0.500 1.00 0.28 C ATOM 3 C ILE A 1 -8.623 3.042 -0.069 1.00 0.30 C ATOM 4 O ILE A 1 -9.210 2.083 -0.571 1.00 0.55 O ATOM 5 CB ILE A 1 -10.352 3.709 1.606 1.00 1.48 C ATOM 6 CG1 ILE A 1 -11.145 4.865 2.222 1.00 1.64 C ATOM 7 CG2 ILE A 1 -9.565 2.974 2.683 1.00 2.51 C ATOM 8 CD1 ILE A 1 -12.376 5.252 1.430 1.00 2.53 C ATOM 0 H1 ILE A 1 -10.253 5.936 -0.316 1.00 1.36 H new ATOM 0 H2 ILE A 1 -9.627 4.856 -1.467 1.00 1.36 H new ATOM 0 H3 ILE A 1 -11.090 4.504 -0.681 1.00 1.36 H new ATOM 0 HA ILE A 1 -8.710 4.946 0.933 1.00 0.28 H new ATOM 0 HB ILE A 1 -11.057 3.012 1.153 1.00 1.48 H new ATOM 0 HG12 ILE A 1 -11.446 4.589 3.232 1.00 1.64 H new ATOM 0 HG13 ILE A 1 -10.493 5.734 2.310 1.00 1.64 H new ATOM 0 HG21 ILE A 1 -10.248 2.618 3.454 1.00 2.51 H new ATOM 0 HG22 ILE A 1 -9.045 2.125 2.239 1.00 2.51 H new ATOM 0 HG23 ILE A 1 -8.837 3.652 3.128 1.00 2.51 H new ATOM 0 HD11 ILE A 1 -12.885 6.077 1.929 1.00 2.53 H new ATOM 0 HD12 ILE A 1 -12.081 5.561 0.427 1.00 2.53 H new ATOM 0 HD13 ILE A 1 -13.049 4.397 1.363 1.00 2.53 H new ATOM 22 N LYS A 2 -7.298 3.119 0.013 1.00 0.08 N ATOM 23 CA LYS A 2 -6.437 2.056 -0.491 1.00 0.07 C ATOM 24 C LYS A 2 -6.651 0.759 0.283 1.00 0.08 C ATOM 25 O LYS A 2 -6.741 0.765 1.511 1.00 0.09 O ATOM 26 CB LYS A 2 -4.963 2.459 -0.382 1.00 0.08 C ATOM 27 CG LYS A 2 -4.567 3.637 -1.255 1.00 0.11 C ATOM 28 CD LYS A 2 -3.132 4.068 -0.982 1.00 0.12 C ATOM 29 CE LYS A 2 -3.002 4.735 0.378 1.00 0.62 C ATOM 30 NZ LYS A 2 -3.849 5.956 0.481 1.00 1.15 N ATOM 0 H LYS A 2 -6.798 3.907 0.424 1.00 0.08 H new ATOM 0 HA LYS A 2 -6.699 1.895 -1.537 1.00 0.07 H new ATOM 0 HB2 LYS A 2 -4.742 2.702 0.657 1.00 0.08 H new ATOM 0 HB3 LYS A 2 -4.344 1.602 -0.647 1.00 0.08 H new ATOM 0 HG2 LYS A 2 -4.675 3.367 -2.305 1.00 0.11 H new ATOM 0 HG3 LYS A 2 -5.242 4.473 -1.070 1.00 0.11 H new ATOM 0 HD2 LYS A 2 -2.475 3.200 -1.027 1.00 0.12 H new ATOM 0 HD3 LYS A 2 -2.803 4.757 -1.760 1.00 0.12 H new ATOM 0 HE2 LYS A 2 -3.287 4.029 1.158 1.00 0.62 H new ATOM 0 HE3 LYS A 2 -1.960 5.000 0.554 1.00 0.62 H new ATOM 0 HZ1 LYS A 2 -3.497 6.559 1.252 1.00 1.15 H new ATOM 0 HZ2 LYS A 2 -3.810 6.482 -0.415 1.00 1.15 H new ATOM 0 HZ3 LYS A 2 -4.832 5.681 0.678 1.00 1.15 H new ATOM 44 N LYS A 3 -6.731 -0.349 -0.443 1.00 0.08 N ATOM 45 CA LYS A 3 -6.897 -1.657 0.170 1.00 0.09 C ATOM 46 C LYS A 3 -5.534 -2.321 0.234 1.00 0.06 C ATOM 47 O LYS A 3 -4.941 -2.456 1.305 1.00 0.07 O ATOM 48 CB LYS A 3 -7.872 -2.518 -0.635 1.00 0.12 C ATOM 49 CG LYS A 3 -9.277 -1.938 -0.713 1.00 0.17 C ATOM 50 CD LYS A 3 -10.200 -2.812 -1.552 1.00 0.70 C ATOM 51 CE LYS A 3 -10.444 -4.162 -0.894 1.00 1.36 C ATOM 52 NZ LYS A 3 -11.336 -5.027 -1.716 1.00 2.00 N ATOM 0 H LYS A 3 -6.683 -0.366 -1.462 1.00 0.08 H new ATOM 0 HA LYS A 3 -7.312 -1.545 1.172 1.00 0.09 H new ATOM 0 HB2 LYS A 3 -7.483 -2.644 -1.646 1.00 0.12 H new ATOM 0 HB3 LYS A 3 -7.922 -3.510 -0.187 1.00 0.12 H new ATOM 0 HG2 LYS A 3 -9.686 -1.837 0.292 1.00 0.17 H new ATOM 0 HG3 LYS A 3 -9.234 -0.937 -1.142 1.00 0.17 H new ATOM 0 HD2 LYS A 3 -11.152 -2.301 -1.699 1.00 0.70 H new ATOM 0 HD3 LYS A 3 -9.763 -2.961 -2.539 1.00 0.70 H new ATOM 0 HE2 LYS A 3 -9.491 -4.668 -0.738 1.00 1.36 H new ATOM 0 HE3 LYS A 3 -10.890 -4.011 0.089 1.00 1.36 H new ATOM 0 HZ1 LYS A 3 -11.478 -5.937 -1.234 1.00 2.00 H new ATOM 0 HZ2 LYS A 3 -12.255 -4.556 -1.844 1.00 2.00 H new ATOM 0 HZ3 LYS A 3 -10.899 -5.192 -2.645 1.00 2.00 H new ATOM 66 N ILE A 4 -5.047 -2.738 -0.927 1.00 0.05 N ATOM 67 CA ILE A 4 -3.732 -3.337 -1.032 1.00 0.05 C ATOM 68 C ILE A 4 -2.714 -2.246 -1.329 1.00 0.05 C ATOM 69 O ILE A 4 -1.550 -2.338 -0.944 1.00 0.09 O ATOM 70 CB ILE A 4 -3.691 -4.411 -2.138 1.00 0.09 C ATOM 71 CG1 ILE A 4 -4.688 -5.534 -1.831 1.00 0.13 C ATOM 72 CG2 ILE A 4 -2.282 -4.969 -2.295 1.00 0.11 C ATOM 73 CD1 ILE A 4 -4.418 -6.258 -0.528 1.00 0.56 C ATOM 0 H ILE A 4 -5.550 -2.670 -1.812 1.00 0.05 H new ATOM 0 HA ILE A 4 -3.494 -3.825 -0.087 1.00 0.05 H new ATOM 0 HB ILE A 4 -3.978 -3.945 -3.081 1.00 0.09 H new ATOM 0 HG12 ILE A 4 -5.694 -5.115 -1.800 1.00 0.13 H new ATOM 0 HG13 ILE A 4 -4.669 -6.256 -2.647 1.00 0.13 H new ATOM 0 HG21 ILE A 4 -2.275 -5.725 -3.080 1.00 0.11 H new ATOM 0 HG22 ILE A 4 -1.599 -4.163 -2.562 1.00 0.11 H new ATOM 0 HG23 ILE A 4 -1.962 -5.419 -1.355 1.00 0.11 H new ATOM 0 HD11 ILE A 4 -5.166 -7.037 -0.383 1.00 0.56 H new ATOM 0 HD12 ILE A 4 -3.426 -6.709 -0.561 1.00 0.56 H new ATOM 0 HD13 ILE A 4 -4.467 -5.550 0.299 1.00 0.56 H new ATOM 85 N LEU A 5 -3.181 -1.204 -2.011 1.00 0.05 N ATOM 86 CA LEU A 5 -2.343 -0.068 -2.362 1.00 0.07 C ATOM 87 C LEU A 5 -1.951 0.704 -1.107 1.00 0.06 C ATOM 88 O LEU A 5 -1.077 1.569 -1.146 1.00 0.08 O ATOM 89 CB LEU A 5 -3.093 0.855 -3.321 1.00 0.09 C ATOM 90 CG LEU A 5 -3.646 0.175 -4.573 1.00 0.26 C ATOM 91 CD1 LEU A 5 -4.952 0.825 -4.997 1.00 1.43 C ATOM 92 CD2 LEU A 5 -2.629 0.230 -5.704 1.00 1.25 C ATOM 0 H LEU A 5 -4.146 -1.126 -2.333 1.00 0.05 H new ATOM 0 HA LEU A 5 -1.440 -0.435 -2.849 1.00 0.07 H new ATOM 0 HB2 LEU A 5 -3.920 1.319 -2.783 1.00 0.09 H new ATOM 0 HB3 LEU A 5 -2.422 1.657 -3.628 1.00 0.09 H new ATOM 0 HG LEU A 5 -3.842 -0.871 -4.339 1.00 0.26 H new ATOM 0 HD11 LEU A 5 -5.332 0.329 -5.890 1.00 1.43 H new ATOM 0 HD12 LEU A 5 -5.682 0.734 -4.193 1.00 1.43 H new ATOM 0 HD13 LEU A 5 -4.780 1.879 -5.213 1.00 1.43 H new ATOM 0 HD21 LEU A 5 -3.040 -0.259 -6.587 1.00 1.25 H new ATOM 0 HD22 LEU A 5 -2.401 1.270 -5.938 1.00 1.25 H new ATOM 0 HD23 LEU A 5 -1.716 -0.281 -5.398 1.00 1.25 H new ATOM 104 N SER A 6 -2.608 0.378 0.003 1.00 0.05 N ATOM 105 CA SER A 6 -2.339 1.034 1.280 1.00 0.06 C ATOM 106 C SER A 6 -1.059 0.489 1.887 1.00 0.07 C ATOM 107 O SER A 6 -0.081 1.219 2.051 1.00 0.09 O ATOM 108 CB SER A 6 -3.509 0.831 2.243 1.00 0.07 C ATOM 109 OG SER A 6 -3.242 1.422 3.503 1.00 0.10 O ATOM 0 H SER A 6 -3.333 -0.339 0.044 1.00 0.05 H new ATOM 0 HA SER A 6 -2.218 2.103 1.103 1.00 0.06 H new ATOM 0 HB2 SER A 6 -4.413 1.267 1.818 1.00 0.07 H new ATOM 0 HB3 SER A 6 -3.698 -0.235 2.371 1.00 0.07 H new ATOM 0 HG SER A 6 -4.006 1.280 4.100 1.00 0.10 H new ATOM 115 N LYS A 7 -1.070 -0.798 2.229 1.00 0.08 N ATOM 116 CA LYS A 7 0.112 -1.437 2.783 1.00 0.10 C ATOM 117 C LYS A 7 1.261 -1.260 1.804 1.00 0.10 C ATOM 118 O LYS A 7 2.433 -1.282 2.177 1.00 0.12 O ATOM 119 CB LYS A 7 -0.145 -2.924 3.037 1.00 0.13 C ATOM 120 CG LYS A 7 -0.571 -3.690 1.793 1.00 0.15 C ATOM 121 CD LYS A 7 -0.751 -5.174 2.080 1.00 0.21 C ATOM 122 CE LYS A 7 -1.894 -5.425 3.051 1.00 1.35 C ATOM 123 NZ LYS A 7 -3.183 -4.879 2.544 1.00 2.09 N ATOM 0 H LYS A 7 -1.879 -1.411 2.132 1.00 0.08 H new ATOM 0 HA LYS A 7 0.362 -0.975 3.738 1.00 0.10 H new ATOM 0 HB2 LYS A 7 0.761 -3.377 3.440 1.00 0.13 H new ATOM 0 HB3 LYS A 7 -0.918 -3.026 3.799 1.00 0.13 H new ATOM 0 HG2 LYS A 7 -1.505 -3.277 1.413 1.00 0.15 H new ATOM 0 HG3 LYS A 7 0.177 -3.559 1.011 1.00 0.15 H new ATOM 0 HD2 LYS A 7 -0.943 -5.704 1.147 1.00 0.21 H new ATOM 0 HD3 LYS A 7 0.173 -5.579 2.493 1.00 0.21 H new ATOM 0 HE2 LYS A 7 -1.996 -6.497 3.222 1.00 1.35 H new ATOM 0 HE3 LYS A 7 -1.660 -4.969 4.013 1.00 1.35 H new ATOM 0 HZ1 LYS A 7 -3.943 -5.568 2.716 1.00 2.09 H new ATOM 0 HZ2 LYS A 7 -3.402 -3.991 3.039 1.00 2.09 H new ATOM 0 HZ3 LYS A 7 -3.105 -4.697 1.523 1.00 2.09 H new ATOM 137 N ILE A 8 0.892 -1.082 0.539 1.00 0.09 N ATOM 138 CA ILE A 8 1.852 -0.871 -0.529 1.00 0.10 C ATOM 139 C ILE A 8 2.335 0.577 -0.542 1.00 0.08 C ATOM 140 O ILE A 8 3.503 0.850 -0.818 1.00 0.08 O ATOM 141 CB ILE A 8 1.231 -1.222 -1.899 1.00 0.11 C ATOM 142 CG1 ILE A 8 1.158 -2.743 -2.082 1.00 0.13 C ATOM 143 CG2 ILE A 8 2.022 -0.581 -3.030 1.00 0.11 C ATOM 144 CD1 ILE A 8 2.511 -3.426 -2.105 1.00 0.16 C ATOM 0 H ILE A 8 -0.080 -1.081 0.230 1.00 0.09 H new ATOM 0 HA ILE A 8 2.703 -1.527 -0.347 1.00 0.10 H new ATOM 0 HB ILE A 8 0.217 -0.824 -1.927 1.00 0.11 H new ATOM 0 HG12 ILE A 8 0.562 -3.168 -1.275 1.00 0.13 H new ATOM 0 HG13 ILE A 8 0.636 -2.962 -3.013 1.00 0.13 H new ATOM 0 HG21 ILE A 8 1.567 -0.842 -3.986 1.00 0.11 H new ATOM 0 HG22 ILE A 8 2.017 0.502 -2.909 1.00 0.11 H new ATOM 0 HG23 ILE A 8 3.050 -0.944 -3.007 1.00 0.11 H new ATOM 0 HD11 ILE A 8 2.375 -4.499 -2.238 1.00 0.16 H new ATOM 0 HD12 ILE A 8 3.104 -3.031 -2.930 1.00 0.16 H new ATOM 0 HD13 ILE A 8 3.029 -3.240 -1.164 1.00 0.16 H new ATOM 156 N LYS A 9 1.423 1.501 -0.245 1.00 0.08 N ATOM 157 CA LYS A 9 1.748 2.925 -0.220 1.00 0.07 C ATOM 158 C LYS A 9 2.990 3.193 0.624 1.00 0.04 C ATOM 159 O LYS A 9 3.748 4.124 0.352 1.00 0.07 O ATOM 160 CB LYS A 9 0.571 3.730 0.333 1.00 0.11 C ATOM 161 CG LYS A 9 0.663 5.216 0.032 1.00 0.17 C ATOM 162 CD LYS A 9 0.264 6.059 1.231 1.00 0.31 C ATOM 163 CE LYS A 9 0.370 7.544 0.925 1.00 0.95 C ATOM 164 NZ LYS A 9 -0.471 7.931 -0.242 1.00 1.63 N ATOM 0 H LYS A 9 0.452 1.288 -0.018 1.00 0.08 H new ATOM 0 HA LYS A 9 1.951 3.236 -1.245 1.00 0.07 H new ATOM 0 HB2 LYS A 9 -0.356 3.339 -0.086 1.00 0.11 H new ATOM 0 HB3 LYS A 9 0.518 3.588 1.412 1.00 0.11 H new ATOM 0 HG2 LYS A 9 1.682 5.465 -0.264 1.00 0.17 H new ATOM 0 HG3 LYS A 9 0.018 5.457 -0.813 1.00 0.17 H new ATOM 0 HD2 LYS A 9 -0.758 5.818 1.523 1.00 0.31 H new ATOM 0 HD3 LYS A 9 0.904 5.814 2.079 1.00 0.31 H new ATOM 0 HE2 LYS A 9 0.064 8.118 1.800 1.00 0.95 H new ATOM 0 HE3 LYS A 9 1.410 7.800 0.724 1.00 0.95 H new ATOM 0 HZ1 LYS A 9 -0.548 8.967 -0.286 1.00 1.63 H new ATOM 0 HZ2 LYS A 9 -0.033 7.579 -1.117 1.00 1.63 H new ATOM 0 HZ3 LYS A 9 -1.419 7.517 -0.139 1.00 1.63 H new ATOM 178 N LYS A 10 3.190 2.371 1.647 1.00 0.06 N ATOM 179 CA LYS A 10 4.334 2.521 2.538 1.00 0.10 C ATOM 180 C LYS A 10 5.527 1.707 2.046 1.00 0.11 C ATOM 181 O LYS A 10 6.674 2.012 2.372 1.00 0.16 O ATOM 182 CB LYS A 10 3.959 2.090 3.958 1.00 0.15 C ATOM 183 CG LYS A 10 2.806 2.884 4.549 1.00 0.20 C ATOM 184 CD LYS A 10 2.450 2.395 5.945 1.00 0.28 C ATOM 185 CE LYS A 10 1.301 3.195 6.538 1.00 1.21 C ATOM 186 NZ LYS A 10 0.068 3.095 5.711 1.00 2.02 N ATOM 0 H LYS A 10 2.574 1.592 1.880 1.00 0.06 H new ATOM 0 HA LYS A 10 4.618 3.573 2.545 1.00 0.10 H new ATOM 0 HB2 LYS A 10 3.695 1.033 3.950 1.00 0.15 H new ATOM 0 HB3 LYS A 10 4.831 2.196 4.603 1.00 0.15 H new ATOM 0 HG2 LYS A 10 3.073 3.940 4.589 1.00 0.20 H new ATOM 0 HG3 LYS A 10 1.935 2.800 3.900 1.00 0.20 H new ATOM 0 HD2 LYS A 10 2.178 1.340 5.904 1.00 0.28 H new ATOM 0 HD3 LYS A 10 3.323 2.474 6.593 1.00 0.28 H new ATOM 0 HE2 LYS A 10 1.092 2.837 7.546 1.00 1.21 H new ATOM 0 HE3 LYS A 10 1.595 4.241 6.626 1.00 1.21 H new ATOM 0 HZ1 LYS A 10 -0.742 3.463 6.250 1.00 2.02 H new ATOM 0 HZ2 LYS A 10 0.187 3.652 4.841 1.00 2.02 H new ATOM 0 HZ3 LYS A 10 -0.104 2.100 5.463 1.00 2.02 H new ATOM 200 N LEU A 11 5.248 0.671 1.261 1.00 0.08 N ATOM 201 CA LEU A 11 6.299 -0.192 0.733 1.00 0.12 C ATOM 202 C LEU A 11 6.876 0.359 -0.570 1.00 0.13 C ATOM 203 O LEU A 11 8.029 0.787 -0.612 1.00 0.17 O ATOM 204 CB LEU A 11 5.762 -1.607 0.516 1.00 0.13 C ATOM 205 CG LEU A 11 5.356 -2.348 1.791 1.00 0.13 C ATOM 206 CD1 LEU A 11 4.668 -3.661 1.449 1.00 0.16 C ATOM 207 CD2 LEU A 11 6.573 -2.598 2.672 1.00 0.18 C ATOM 0 H LEU A 11 4.304 0.409 0.977 1.00 0.08 H new ATOM 0 HA LEU A 11 7.104 -0.223 1.467 1.00 0.12 H new ATOM 0 HB2 LEU A 11 4.898 -1.554 -0.146 1.00 0.13 H new ATOM 0 HB3 LEU A 11 6.523 -2.193 0.000 1.00 0.13 H new ATOM 0 HG LEU A 11 4.652 -1.724 2.343 1.00 0.13 H new ATOM 0 HD11 LEU A 11 4.386 -4.174 2.368 1.00 0.16 H new ATOM 0 HD12 LEU A 11 3.775 -3.460 0.857 1.00 0.16 H new ATOM 0 HD13 LEU A 11 5.349 -4.290 0.876 1.00 0.16 H new ATOM 0 HD21 LEU A 11 6.266 -3.126 3.575 1.00 0.18 H new ATOM 0 HD22 LEU A 11 7.299 -3.202 2.127 1.00 0.18 H new ATOM 0 HD23 LEU A 11 7.026 -1.645 2.945 1.00 0.18 H new ATOM 219 N LEU A 12 6.074 0.344 -1.633 1.00 0.12 N ATOM 220 CA LEU A 12 6.529 0.840 -2.930 1.00 0.16 C ATOM 221 C LEU A 12 5.547 1.843 -3.535 1.00 0.18 C ATOM 222 O LEU A 12 5.837 3.039 -3.596 1.00 0.26 O ATOM 223 CB LEU A 12 6.759 -0.322 -3.903 1.00 0.24 C ATOM 224 CG LEU A 12 5.738 -1.461 -3.825 1.00 0.19 C ATOM 225 CD1 LEU A 12 5.518 -2.073 -5.199 1.00 0.30 C ATOM 226 CD2 LEU A 12 6.204 -2.524 -2.842 1.00 0.24 C ATOM 0 H LEU A 12 5.115 -0.003 -1.623 1.00 0.12 H new ATOM 0 HA LEU A 12 7.473 1.358 -2.762 1.00 0.16 H new ATOM 0 HB2 LEU A 12 6.760 0.073 -4.919 1.00 0.24 H new ATOM 0 HB3 LEU A 12 7.751 -0.734 -3.721 1.00 0.24 H new ATOM 0 HG LEU A 12 4.791 -1.052 -3.472 1.00 0.19 H new ATOM 0 HD11 LEU A 12 4.790 -2.881 -5.125 1.00 0.30 H new ATOM 0 HD12 LEU A 12 5.145 -1.310 -5.882 1.00 0.30 H new ATOM 0 HD13 LEU A 12 6.461 -2.468 -5.577 1.00 0.30 H new ATOM 0 HD21 LEU A 12 5.468 -3.327 -2.798 1.00 0.24 H new ATOM 0 HD22 LEU A 12 7.162 -2.928 -3.170 1.00 0.24 H new ATOM 0 HD23 LEU A 12 6.317 -2.080 -1.853 1.00 0.24 H new ATOM 238 N LYS A 13 4.390 1.355 -3.980 1.00 0.24 N ATOM 239 CA LYS A 13 3.375 2.212 -4.592 1.00 0.34 C ATOM 240 C LYS A 13 3.925 2.905 -5.836 1.00 0.74 C ATOM 241 O LYS A 13 3.778 2.341 -6.940 1.00 1.46 O ATOM 242 CB LYS A 13 2.873 3.252 -3.586 1.00 0.26 C ATOM 243 CG LYS A 13 1.850 4.223 -4.158 1.00 0.26 C ATOM 244 CD LYS A 13 0.519 3.543 -4.440 1.00 0.77 C ATOM 245 CE LYS A 13 -0.466 3.746 -3.298 1.00 0.29 C ATOM 246 NZ LYS A 13 -0.694 5.190 -3.013 1.00 1.13 N ATOM 247 OXT LYS A 13 4.501 4.006 -5.696 1.00 1.39 O ATOM 0 H LYS A 13 4.132 0.370 -3.928 1.00 0.24 H new ATOM 0 HA LYS A 13 2.538 1.582 -4.892 1.00 0.34 H new ATOM 0 HB2 LYS A 13 2.431 2.735 -2.734 1.00 0.26 H new ATOM 0 HB3 LYS A 13 3.725 3.818 -3.209 1.00 0.26 H new ATOM 0 HG2 LYS A 13 1.697 5.044 -3.457 1.00 0.26 H new ATOM 0 HG3 LYS A 13 2.238 4.658 -5.079 1.00 0.26 H new ATOM 0 HD2 LYS A 13 0.095 3.940 -5.362 1.00 0.77 H new ATOM 0 HD3 LYS A 13 0.680 2.477 -4.597 1.00 0.77 H new ATOM 0 HE2 LYS A 13 -1.415 3.271 -3.548 1.00 0.29 H new ATOM 0 HE3 LYS A 13 -0.089 3.254 -2.401 1.00 0.29 H new ATOM 0 HZ1 LYS A 13 -1.203 5.290 -2.111 1.00 1.13 H new ATOM 0 HZ2 LYS A 13 0.221 5.680 -2.950 1.00 1.13 H new ATOM 0 HZ3 LYS A 13 -1.260 5.610 -3.778 1.00 1.13 H new TER 261 LYS A 13