USER MOD reduce.3.24.130724 H: found=0, std=0, add=138, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 139 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 Set 1.1: A 8 GLN : amide:sc= -2.49 K(o=-3.3,f=-5.1!) USER MOD Set 1.2: A 12 MET CE :methyl 147:sc= -0.789 (180deg=-0.709) USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0179) USER MOD Single : A 9 ASN : amide:sc= -1.27 K(o=-1.3,f=-5.8!) USER MOD Single : A 13 LYS NZ :NH3+ 156:sc= -0.788 (180deg=-2.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0469) USER MOD ----------------------------------------------------------------- ATOM 63 N LYS A 4 -2.891 4.946 -2.616 1.00 15.00 N ATOM 64 CA LYS A 4 -1.611 4.551 -1.993 1.00 15.00 C ATOM 65 C LYS A 4 -1.838 3.270 -1.226 1.00 15.00 C ATOM 66 O LYS A 4 -1.039 2.366 -1.254 1.00 15.00 O ATOM 67 CB LYS A 4 -1.245 5.682 -1.035 1.00 15.00 C ATOM 68 CG LYS A 4 -0.481 6.745 -1.798 1.00 15.00 C ATOM 69 CD LYS A 4 -1.426 7.409 -2.780 1.00 15.00 C ATOM 70 CE LYS A 4 -0.853 8.760 -3.214 1.00 15.00 C ATOM 71 NZ LYS A 4 0.216 8.426 -4.197 1.00 15.00 N ATOM 0 HA LYS A 4 -0.817 4.388 -2.722 1.00 15.00 H new ATOM 0 HB2 LYS A 4 -2.146 6.109 -0.594 1.00 15.00 H new ATOM 0 HB3 LYS A 4 -0.639 5.299 -0.214 1.00 15.00 H new ATOM 0 HG2 LYS A 4 -0.071 7.484 -1.109 1.00 15.00 H new ATOM 0 HG3 LYS A 4 0.362 6.299 -2.326 1.00 15.00 H new ATOM 0 HD2 LYS A 4 -1.571 6.768 -3.650 1.00 15.00 H new ATOM 0 HD3 LYS A 4 -2.404 7.549 -2.320 1.00 15.00 H new ATOM 0 HE2 LYS A 4 -1.621 9.389 -3.664 1.00 15.00 H new ATOM 0 HE3 LYS A 4 -0.450 9.310 -2.363 1.00 15.00 H new ATOM 0 HZ1 LYS A 4 1.123 8.816 -3.870 1.00 15.00 H new ATOM 0 HZ2 LYS A 4 0.296 7.393 -4.286 1.00 15.00 H new ATOM 0 HZ3 LYS A 4 -0.023 8.835 -5.123 1.00 15.00 H new ATOM 85 N ILE A 5 -2.949 3.176 -0.568 1.00 15.00 N ATOM 86 CA ILE A 5 -3.271 1.935 0.182 1.00 15.00 C ATOM 87 C ILE A 5 -3.137 0.762 -0.770 1.00 15.00 C ATOM 88 O ILE A 5 -2.796 -0.337 -0.389 1.00 15.00 O ATOM 89 CB ILE A 5 -4.721 2.123 0.621 1.00 15.00 C ATOM 90 CG1 ILE A 5 -4.860 3.442 1.401 1.00 15.00 C ATOM 91 CG2 ILE A 5 -5.143 0.954 1.512 1.00 15.00 C ATOM 92 CD1 ILE A 5 -3.551 3.776 2.129 1.00 15.00 C ATOM 0 H ILE A 5 -3.656 3.909 -0.515 1.00 15.00 H new ATOM 0 HA ILE A 5 -2.620 1.748 1.036 1.00 15.00 H new ATOM 0 HB ILE A 5 -5.362 2.156 -0.260 1.00 15.00 H new ATOM 0 HG12 ILE A 5 -5.119 4.250 0.717 1.00 15.00 H new ATOM 0 HG13 ILE A 5 -5.674 3.361 2.122 1.00 15.00 H new ATOM 0 HG21 ILE A 5 -6.178 1.090 1.824 1.00 15.00 H new ATOM 0 HG22 ILE A 5 -5.051 0.021 0.956 1.00 15.00 H new ATOM 0 HG23 ILE A 5 -4.501 0.917 2.392 1.00 15.00 H new ATOM 0 HD11 ILE A 5 -3.667 4.712 2.675 1.00 15.00 H new ATOM 0 HD12 ILE A 5 -3.309 2.975 2.828 1.00 15.00 H new ATOM 0 HD13 ILE A 5 -2.746 3.878 1.401 1.00 15.00 H new ATOM 104 N PHE A 6 -3.364 1.019 -2.024 1.00 15.00 N ATOM 105 CA PHE A 6 -3.207 -0.060 -3.038 1.00 15.00 C ATOM 106 C PHE A 6 -1.711 -0.279 -3.263 1.00 15.00 C ATOM 107 O PHE A 6 -1.250 -1.385 -3.468 1.00 15.00 O ATOM 108 CB PHE A 6 -3.885 0.465 -4.304 1.00 15.00 C ATOM 109 CG PHE A 6 -4.732 -0.628 -4.914 1.00 15.00 C ATOM 110 CD1 PHE A 6 -4.119 -1.736 -5.510 1.00 15.00 C ATOM 111 CD2 PHE A 6 -6.128 -0.532 -4.880 1.00 15.00 C ATOM 112 CE1 PHE A 6 -4.904 -2.749 -6.074 1.00 15.00 C ATOM 113 CE2 PHE A 6 -6.912 -1.546 -5.444 1.00 15.00 C ATOM 114 CZ PHE A 6 -6.299 -2.655 -6.041 1.00 15.00 C ATOM 0 H PHE A 6 -3.651 1.926 -2.392 1.00 15.00 H new ATOM 0 HA PHE A 6 -3.648 -1.010 -2.736 1.00 15.00 H new ATOM 0 HB2 PHE A 6 -4.505 1.329 -4.065 1.00 15.00 H new ATOM 0 HB3 PHE A 6 -3.134 0.799 -5.019 1.00 15.00 H new ATOM 0 HD1 PHE A 6 -3.042 -1.810 -5.535 1.00 15.00 H new ATOM 0 HD2 PHE A 6 -6.600 0.323 -4.419 1.00 15.00 H new ATOM 0 HE1 PHE A 6 -4.432 -3.604 -6.535 1.00 15.00 H new ATOM 0 HE2 PHE A 6 -7.989 -1.473 -5.419 1.00 15.00 H new ATOM 0 HZ PHE A 6 -6.903 -3.437 -6.476 1.00 15.00 H new ATOM 124 N PHE A 7 -0.952 0.782 -3.193 1.00 15.00 N ATOM 125 CA PHE A 7 0.524 0.680 -3.364 1.00 15.00 C ATOM 126 C PHE A 7 1.163 0.453 -1.997 1.00 15.00 C ATOM 127 O PHE A 7 2.000 -0.410 -1.828 1.00 15.00 O ATOM 128 CB PHE A 7 0.947 2.034 -3.936 1.00 15.00 C ATOM 129 CG PHE A 7 1.831 1.822 -5.142 1.00 15.00 C ATOM 130 CD1 PHE A 7 3.205 1.610 -4.973 1.00 15.00 C ATOM 131 CD2 PHE A 7 1.278 1.838 -6.427 1.00 15.00 C ATOM 132 CE1 PHE A 7 4.026 1.415 -6.090 1.00 15.00 C ATOM 133 CE2 PHE A 7 2.099 1.642 -7.545 1.00 15.00 C ATOM 134 CZ PHE A 7 3.473 1.430 -7.376 1.00 15.00 C ATOM 0 H PHE A 7 -1.298 1.726 -3.022 1.00 15.00 H new ATOM 0 HA PHE A 7 0.826 -0.141 -4.014 1.00 15.00 H new ATOM 0 HB2 PHE A 7 0.067 2.613 -4.215 1.00 15.00 H new ATOM 0 HB3 PHE A 7 1.480 2.609 -3.179 1.00 15.00 H new ATOM 0 HD1 PHE A 7 3.631 1.597 -3.981 1.00 15.00 H new ATOM 0 HD2 PHE A 7 0.218 2.001 -6.557 1.00 15.00 H new ATOM 0 HE1 PHE A 7 5.086 1.253 -5.960 1.00 15.00 H new ATOM 0 HE2 PHE A 7 1.672 1.654 -8.537 1.00 15.00 H new ATOM 0 HZ PHE A 7 4.106 1.278 -8.238 1.00 15.00 H new ATOM 144 N GLN A 8 0.752 1.212 -1.015 1.00 15.00 N ATOM 145 CA GLN A 8 1.295 1.034 0.356 1.00 15.00 C ATOM 146 C GLN A 8 1.139 -0.426 0.749 1.00 15.00 C ATOM 147 O GLN A 8 1.992 -1.010 1.375 1.00 15.00 O ATOM 148 CB GLN A 8 0.438 1.934 1.244 1.00 15.00 C ATOM 149 CG GLN A 8 0.701 3.398 0.883 1.00 15.00 C ATOM 150 CD GLN A 8 0.285 4.295 2.050 1.00 15.00 C ATOM 151 OE1 GLN A 8 -0.781 4.880 2.032 1.00 15.00 O ATOM 152 NE2 GLN A 8 1.085 4.429 3.072 1.00 15.00 N ATOM 0 H GLN A 8 0.057 1.953 -1.109 1.00 15.00 H new ATOM 0 HA GLN A 8 2.351 1.292 0.441 1.00 15.00 H new ATOM 0 HB2 GLN A 8 -0.618 1.698 1.110 1.00 15.00 H new ATOM 0 HB3 GLN A 8 0.673 1.758 2.294 1.00 15.00 H new ATOM 0 HG2 GLN A 8 1.757 3.544 0.657 1.00 15.00 H new ATOM 0 HG3 GLN A 8 0.143 3.668 -0.014 1.00 15.00 H new ATOM 0 HE21 GLN A 8 1.979 3.938 3.087 1.00 15.00 H new ATOM 0 HE22 GLN A 8 0.816 5.024 3.855 1.00 15.00 H new ATOM 161 N ASN A 9 0.067 -1.033 0.328 1.00 15.00 N ATOM 162 CA ASN A 9 -0.141 -2.474 0.625 1.00 15.00 C ATOM 163 C ASN A 9 0.997 -3.284 0.001 1.00 15.00 C ATOM 164 O ASN A 9 1.132 -4.470 0.227 1.00 15.00 O ATOM 165 CB ASN A 9 -1.461 -2.832 -0.054 1.00 15.00 C ATOM 166 CG ASN A 9 -1.801 -4.297 0.223 1.00 15.00 C ATOM 167 OD1 ASN A 9 -1.318 -5.183 -0.452 1.00 15.00 O ATOM 168 ND2 ASN A 9 -2.617 -4.590 1.199 1.00 15.00 N ATOM 0 H ASN A 9 -0.677 -0.590 -0.211 1.00 15.00 H new ATOM 0 HA ASN A 9 -0.161 -2.683 1.695 1.00 15.00 H new ATOM 0 HB2 ASN A 9 -2.258 -2.187 0.316 1.00 15.00 H new ATOM 0 HB3 ASN A 9 -1.386 -2.663 -1.128 1.00 15.00 H new ATOM 0 HD21 ASN A 9 -2.849 -5.564 1.395 1.00 15.00 H new ATOM 0 HD22 ASN A 9 -3.022 -3.845 1.766 1.00 15.00 H new ATOM 175 N ARG A 10 1.804 -2.641 -0.800 1.00 15.00 N ATOM 176 CA ARG A 10 2.925 -3.346 -1.470 1.00 15.00 C ATOM 177 C ARG A 10 4.229 -2.560 -1.310 1.00 15.00 C ATOM 178 O ARG A 10 5.241 -2.909 -1.886 1.00 15.00 O ATOM 179 CB ARG A 10 2.538 -3.389 -2.943 1.00 15.00 C ATOM 180 CG ARG A 10 1.089 -3.845 -3.080 1.00 15.00 C ATOM 181 CD ARG A 10 0.970 -5.323 -2.686 1.00 15.00 C ATOM 182 NE ARG A 10 1.121 -6.105 -3.944 1.00 15.00 N ATOM 183 CZ ARG A 10 1.975 -5.738 -4.866 1.00 15.00 C ATOM 184 NH1 ARG A 10 3.226 -6.097 -4.777 1.00 15.00 N ATOM 185 NH2 ARG A 10 1.575 -5.013 -5.875 1.00 15.00 N ATOM 0 H ARG A 10 1.730 -1.647 -1.018 1.00 15.00 H new ATOM 0 HA ARG A 10 3.088 -4.337 -1.046 1.00 15.00 H new ATOM 0 HB2 ARG A 10 2.663 -2.403 -3.391 1.00 15.00 H new ATOM 0 HB3 ARG A 10 3.196 -4.070 -3.482 1.00 15.00 H new ATOM 0 HG2 ARG A 10 0.445 -3.237 -2.445 1.00 15.00 H new ATOM 0 HG3 ARG A 10 0.749 -3.704 -4.106 1.00 15.00 H new ATOM 0 HD2 ARG A 10 1.740 -5.596 -1.964 1.00 15.00 H new ATOM 0 HD3 ARG A 10 0.007 -5.524 -2.217 1.00 15.00 H new ATOM 0 HE ARG A 10 0.551 -6.938 -4.090 1.00 15.00 H new ATOM 0 HH11 ARG A 10 3.539 -6.664 -3.989 1.00 15.00 H new ATOM 0 HH12 ARG A 10 3.891 -5.811 -5.496 1.00 15.00 H new ATOM 0 HH21 ARG A 10 0.597 -4.732 -5.945 1.00 15.00 H new ATOM 0 HH22 ARG A 10 2.241 -4.727 -6.593 1.00 15.00 H new ATOM 199 N ARG A 11 4.218 -1.491 -0.551 1.00 15.00 N ATOM 200 CA ARG A 11 5.454 -0.694 -0.389 1.00 15.00 C ATOM 201 C ARG A 11 5.868 -0.715 1.073 1.00 15.00 C ATOM 202 O ARG A 11 7.029 -0.792 1.401 1.00 15.00 O ATOM 203 CB ARG A 11 5.056 0.710 -0.882 1.00 15.00 C ATOM 204 CG ARG A 11 4.647 1.628 0.262 1.00 15.00 C ATOM 205 CD ARG A 11 5.789 2.584 0.599 1.00 15.00 C ATOM 206 NE ARG A 11 6.997 1.737 0.765 1.00 15.00 N ATOM 207 CZ ARG A 11 7.752 1.866 1.822 1.00 15.00 C ATOM 208 NH1 ARG A 11 7.211 2.062 2.994 1.00 15.00 N ATOM 209 NH2 ARG A 11 9.049 1.799 1.708 1.00 15.00 N ATOM 0 H ARG A 11 3.405 -1.144 -0.042 1.00 15.00 H new ATOM 0 HA ARG A 11 6.313 -1.069 -0.946 1.00 15.00 H new ATOM 0 HB2 ARG A 11 5.893 1.155 -1.421 1.00 15.00 H new ATOM 0 HB3 ARG A 11 4.231 0.624 -1.589 1.00 15.00 H new ATOM 0 HG2 ARG A 11 3.758 2.194 -0.015 1.00 15.00 H new ATOM 0 HG3 ARG A 11 4.387 1.036 1.139 1.00 15.00 H new ATOM 0 HD2 ARG A 11 5.932 3.316 -0.196 1.00 15.00 H new ATOM 0 HD3 ARG A 11 5.575 3.141 1.511 1.00 15.00 H new ATOM 0 HE ARG A 11 7.238 1.051 0.050 1.00 15.00 H new ATOM 0 HH11 ARG A 11 6.196 2.115 3.085 1.00 15.00 H new ATOM 0 HH12 ARG A 11 7.803 2.162 3.819 1.00 15.00 H new ATOM 0 HH21 ARG A 11 9.473 1.646 0.793 1.00 15.00 H new ATOM 0 HH22 ARG A 11 9.639 1.900 2.534 1.00 15.00 H new ATOM 223 N MET A 12 4.911 -0.677 1.945 1.00 15.00 N ATOM 224 CA MET A 12 5.226 -0.727 3.401 1.00 15.00 C ATOM 225 C MET A 12 4.960 -2.142 3.887 1.00 15.00 C ATOM 226 O MET A 12 5.679 -2.674 4.708 1.00 15.00 O ATOM 227 CB MET A 12 4.320 0.289 4.100 1.00 15.00 C ATOM 228 CG MET A 12 2.995 0.397 3.378 1.00 15.00 C ATOM 229 SD MET A 12 1.711 0.931 4.538 1.00 15.00 S ATOM 230 CE MET A 12 2.496 2.478 5.051 1.00 15.00 C ATOM 0 H MET A 12 3.919 -0.613 1.718 1.00 15.00 H new ATOM 0 HA MET A 12 6.266 -0.479 3.614 1.00 15.00 H new ATOM 0 HB2 MET A 12 4.154 -0.013 5.134 1.00 15.00 H new ATOM 0 HB3 MET A 12 4.808 1.263 4.126 1.00 15.00 H new ATOM 0 HG2 MET A 12 3.075 1.108 2.556 1.00 15.00 H new ATOM 0 HG3 MET A 12 2.728 -0.566 2.942 1.00 15.00 H new ATOM 0 HE1 MET A 12 1.729 3.222 5.265 1.00 15.00 H new ATOM 0 HE2 MET A 12 3.093 2.304 5.946 1.00 15.00 H new ATOM 0 HE3 MET A 12 3.140 2.842 4.251 1.00 15.00 H new ATOM 240 N LYS A 13 3.967 -2.781 3.327 1.00 15.00 N ATOM 241 CA LYS A 13 3.700 -4.190 3.694 1.00 15.00 C ATOM 242 C LYS A 13 4.802 -5.030 3.053 1.00 15.00 C ATOM 243 O LYS A 13 5.025 -6.177 3.390 1.00 15.00 O ATOM 244 CB LYS A 13 2.349 -4.533 3.078 1.00 15.00 C ATOM 245 CG LYS A 13 1.333 -3.398 3.268 1.00 15.00 C ATOM 246 CD LYS A 13 1.450 -2.724 4.643 1.00 15.00 C ATOM 247 CE LYS A 13 0.469 -3.376 5.621 1.00 15.00 C ATOM 248 NZ LYS A 13 0.985 -4.758 5.832 1.00 15.00 N ATOM 0 H LYS A 13 3.334 -2.383 2.633 1.00 15.00 H new ATOM 0 HA LYS A 13 3.684 -4.367 4.769 1.00 15.00 H new ATOM 0 HB2 LYS A 13 2.475 -4.734 2.014 1.00 15.00 H new ATOM 0 HB3 LYS A 13 1.964 -5.446 3.532 1.00 15.00 H new ATOM 0 HG2 LYS A 13 1.479 -2.651 2.488 1.00 15.00 H new ATOM 0 HG3 LYS A 13 0.325 -3.794 3.146 1.00 15.00 H new ATOM 0 HD2 LYS A 13 2.469 -2.816 5.019 1.00 15.00 H new ATOM 0 HD3 LYS A 13 1.238 -1.658 4.556 1.00 15.00 H new ATOM 0 HE2 LYS A 13 0.425 -2.825 6.560 1.00 15.00 H new ATOM 0 HE3 LYS A 13 -0.542 -3.391 5.213 1.00 15.00 H new ATOM 0 HZ1 LYS A 13 0.646 -5.120 6.746 1.00 15.00 H new ATOM 0 HZ2 LYS A 13 0.645 -5.376 5.068 1.00 15.00 H new ATOM 0 HZ3 LYS A 13 2.025 -4.744 5.830 1.00 15.00 H new ATOM 262 N PHE A 14 5.503 -4.425 2.130 1.00 15.00 N ATOM 263 CA PHE A 14 6.619 -5.097 1.431 1.00 15.00 C ATOM 264 C PHE A 14 7.809 -5.186 2.379 1.00 15.00 C ATOM 265 O PHE A 14 8.729 -5.954 2.176 1.00 15.00 O ATOM 266 CB PHE A 14 6.924 -4.166 0.252 1.00 15.00 C ATOM 267 CG PHE A 14 6.967 -4.964 -1.030 1.00 15.00 C ATOM 268 CD1 PHE A 14 5.880 -5.771 -1.389 1.00 15.00 C ATOM 269 CD2 PHE A 14 8.093 -4.898 -1.859 1.00 15.00 C ATOM 270 CE1 PHE A 14 5.919 -6.511 -2.576 1.00 15.00 C ATOM 271 CE2 PHE A 14 8.133 -5.639 -3.046 1.00 15.00 C ATOM 272 CZ PHE A 14 7.046 -6.445 -3.405 1.00 15.00 C ATOM 0 H PHE A 14 5.337 -3.465 1.829 1.00 15.00 H new ATOM 0 HA PHE A 14 6.392 -6.111 1.102 1.00 15.00 H new ATOM 0 HB2 PHE A 14 6.162 -3.390 0.183 1.00 15.00 H new ATOM 0 HB3 PHE A 14 7.878 -3.663 0.411 1.00 15.00 H new ATOM 0 HD1 PHE A 14 5.011 -5.822 -0.749 1.00 15.00 H new ATOM 0 HD2 PHE A 14 8.931 -4.275 -1.583 1.00 15.00 H new ATOM 0 HE1 PHE A 14 5.080 -7.133 -2.853 1.00 15.00 H new ATOM 0 HE2 PHE A 14 9.002 -5.589 -3.685 1.00 15.00 H new ATOM 0 HZ PHE A 14 7.076 -7.016 -4.321 1.00 15.00 H new ATOM 282 N LYS A 15 7.786 -4.406 3.429 1.00 15.00 N ATOM 283 CA LYS A 15 8.900 -4.440 4.411 1.00 15.00 C ATOM 284 C LYS A 15 8.341 -4.315 5.827 1.00 15.00 C ATOM 285 O LYS A 15 9.070 -4.137 6.784 1.00 15.00 O ATOM 286 CB LYS A 15 9.785 -3.238 4.075 1.00 15.00 C ATOM 287 CG LYS A 15 8.934 -1.977 3.903 1.00 15.00 C ATOM 288 CD LYS A 15 9.320 -1.274 2.602 1.00 15.00 C ATOM 289 CE LYS A 15 10.806 -0.897 2.629 1.00 15.00 C ATOM 290 NZ LYS A 15 11.228 -0.902 1.200 1.00 15.00 N ATOM 0 H LYS A 15 7.039 -3.746 3.645 1.00 15.00 H new ATOM 0 HA LYS A 15 9.463 -5.372 4.362 1.00 15.00 H new ATOM 0 HB2 LYS A 15 10.517 -3.085 4.868 1.00 15.00 H new ATOM 0 HB3 LYS A 15 10.343 -3.435 3.160 1.00 15.00 H new ATOM 0 HG2 LYS A 15 7.876 -2.239 3.887 1.00 15.00 H new ATOM 0 HG3 LYS A 15 9.084 -1.306 4.749 1.00 15.00 H new ATOM 0 HD2 LYS A 15 9.118 -1.927 1.753 1.00 15.00 H new ATOM 0 HD3 LYS A 15 8.712 -0.379 2.469 1.00 15.00 H new ATOM 0 HE2 LYS A 15 10.957 0.083 3.082 1.00 15.00 H new ATOM 0 HE3 LYS A 15 11.384 -1.612 3.214 1.00 15.00 H new ATOM 0 HZ1 LYS A 15 12.236 -0.653 1.135 1.00 15.00 H new ATOM 0 HZ2 LYS A 15 11.079 -1.849 0.797 1.00 15.00 H new ATOM 0 HZ3 LYS A 15 10.665 -0.207 0.669 1.00 15.00 H new ATOM 304 N LYS A 16 7.047 -4.394 5.960 1.00 15.00 N ATOM 305 CA LYS A 16 6.414 -4.271 7.287 1.00 15.00 C ATOM 306 C LYS A 16 6.980 -5.309 8.261 1.00 15.00 C ATOM 307 O LYS A 16 6.690 -5.204 9.442 1.00 15.00 O ATOM 308 CB LYS A 16 4.923 -4.484 7.012 1.00 15.00 C ATOM 309 CG LYS A 16 4.685 -5.864 6.393 1.00 15.00 C ATOM 310 CD LYS A 16 4.926 -6.940 7.444 1.00 15.00 C ATOM 311 CE LYS A 16 3.815 -7.989 7.379 1.00 15.00 C ATOM 312 NZ LYS A 16 4.112 -8.790 6.159 1.00 15.00 N ATOM 313 OXT LYS A 16 7.691 -6.191 7.810 1.00 15.00 O ATOM 0 H LYS A 16 6.397 -4.541 5.188 1.00 15.00 H new ATOM 0 HA LYS A 16 6.602 -3.308 7.761 1.00 15.00 H new ATOM 0 HB2 LYS A 16 4.359 -4.393 7.940 1.00 15.00 H new ATOM 0 HB3 LYS A 16 4.557 -3.709 6.339 1.00 15.00 H new ATOM 0 HG2 LYS A 16 3.666 -5.933 6.013 1.00 15.00 H new ATOM 0 HG3 LYS A 16 5.352 -6.014 5.544 1.00 15.00 H new ATOM 0 HD2 LYS A 16 5.894 -7.412 7.278 1.00 15.00 H new ATOM 0 HD3 LYS A 16 4.956 -6.491 8.437 1.00 15.00 H new ATOM 0 HE2 LYS A 16 3.811 -8.615 8.271 1.00 15.00 H new ATOM 0 HE3 LYS A 16 2.833 -7.520 7.314 1.00 15.00 H new ATOM 0 HZ1 LYS A 16 3.306 -8.737 5.504 1.00 15.00 H new ATOM 0 HZ2 LYS A 16 4.961 -8.411 5.693 1.00 15.00 H new ATOM 0 HZ3 LYS A 16 4.277 -9.781 6.426 1.00 15.00 H new