USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 155 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 4 SER OG : rot 10:sc= 0.715 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= -1.35 (180deg=-1.45) USER MOD ----------------------------------------------------------------- ATOM 36 N SER A 4 -12.093 2.206 -1.077 1.00 0.00 N ATOM 37 CA SER A 4 -11.951 2.726 0.277 1.00 0.00 C ATOM 38 C SER A 4 -10.727 2.107 0.932 1.00 0.00 C ATOM 39 O SER A 4 -10.022 2.748 1.712 1.00 0.00 O ATOM 40 CB SER A 4 -13.204 2.424 1.102 1.00 0.00 C ATOM 41 OG SER A 4 -14.316 2.164 0.263 1.00 0.00 O ATOM 0 HA SER A 4 -11.826 3.808 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.021 1.564 1.746 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.426 3.269 1.754 1.00 0.00 H new ATOM 0 HG SER A 4 -14.012 2.070 -0.664 1.00 0.00 H new ATOM 47 N VAL A 5 -10.487 0.850 0.587 1.00 0.00 N ATOM 48 CA VAL A 5 -9.355 0.101 1.102 1.00 0.00 C ATOM 49 C VAL A 5 -8.083 0.502 0.383 1.00 0.00 C ATOM 50 O VAL A 5 -6.994 0.452 0.951 1.00 0.00 O ATOM 51 CB VAL A 5 -9.544 -1.394 0.876 1.00 0.00 C ATOM 52 CG1 VAL A 5 -8.531 -2.194 1.681 1.00 0.00 C ATOM 53 CG2 VAL A 5 -10.967 -1.825 1.200 1.00 0.00 C ATOM 0 H VAL A 5 -11.074 0.322 -0.059 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.285 0.320 2.168 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.372 -1.598 -0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.685 -3.259 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.522 -1.917 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.659 -1.980 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.071 -2.897 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.186 -1.601 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.665 -1.286 0.559 1.00 0.00 H new ATOM 63 N PHE A 6 -8.235 0.896 -0.882 1.00 0.00 N ATOM 64 CA PHE A 6 -7.105 1.313 -1.708 1.00 0.00 C ATOM 65 C PHE A 6 -6.140 2.186 -0.906 1.00 0.00 C ATOM 66 O PHE A 6 -4.947 2.251 -1.203 1.00 0.00 O ATOM 67 CB PHE A 6 -7.615 2.055 -2.955 1.00 0.00 C ATOM 68 CG PHE A 6 -7.387 3.542 -2.934 1.00 0.00 C ATOM 69 CD1 PHE A 6 -7.948 4.328 -1.940 1.00 0.00 C ATOM 70 CD2 PHE A 6 -6.611 4.150 -3.907 1.00 0.00 C ATOM 71 CE1 PHE A 6 -7.739 5.694 -1.917 1.00 0.00 C ATOM 72 CE2 PHE A 6 -6.399 5.515 -3.890 1.00 0.00 C ATOM 73 CZ PHE A 6 -6.963 6.288 -2.893 1.00 0.00 C ATOM 0 H PHE A 6 -9.136 0.935 -1.358 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.558 0.427 -2.030 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.126 1.638 -3.835 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.683 1.866 -3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -8.555 3.868 -1.175 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.167 3.550 -4.688 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -8.182 6.296 -1.137 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -5.793 5.978 -4.655 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.797 7.355 -2.877 1.00 0.00 H new ATOM 83 N GLY A 7 -6.669 2.838 0.125 1.00 0.00 N ATOM 84 CA GLY A 7 -5.845 3.682 0.970 1.00 0.00 C ATOM 85 C GLY A 7 -4.795 2.875 1.704 1.00 0.00 C ATOM 86 O GLY A 7 -3.646 3.300 1.833 1.00 0.00 O ATOM 0 H GLY A 7 -7.653 2.797 0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.360 4.445 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.475 4.203 1.691 1.00 0.00 H new ATOM 90 N ARG A 8 -5.194 1.697 2.174 1.00 0.00 N ATOM 91 CA ARG A 8 -4.291 0.805 2.887 1.00 0.00 C ATOM 92 C ARG A 8 -3.413 0.042 1.903 1.00 0.00 C ATOM 93 O ARG A 8 -2.190 0.023 2.035 1.00 0.00 O ATOM 94 CB ARG A 8 -5.085 -0.178 3.750 1.00 0.00 C ATOM 95 CG ARG A 8 -5.370 0.334 5.152 1.00 0.00 C ATOM 96 CD ARG A 8 -6.007 1.713 5.121 1.00 0.00 C ATOM 97 NE ARG A 8 -7.360 1.677 4.574 1.00 0.00 N ATOM 98 CZ ARG A 8 -8.270 2.627 4.780 1.00 0.00 C ATOM 99 NH1 ARG A 8 -7.975 3.689 5.519 1.00 0.00 N ATOM 100 NH2 ARG A 8 -9.477 2.515 4.243 1.00 0.00 N ATOM 0 H ARG A 8 -6.143 1.338 2.072 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.653 1.406 3.535 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.030 -0.401 3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.533 -1.115 3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.031 -0.362 5.668 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.442 0.373 5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.035 2.123 6.131 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.391 2.384 4.522 1.00 0.00 H new ATOM 0 HE ARG A 8 -7.624 0.876 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.047 3.781 5.933 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.676 4.414 5.673 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.708 1.702 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.175 3.242 4.400 1.00 0.00 H new ATOM 114 N LEU A 9 -4.044 -0.581 0.908 1.00 0.00 N ATOM 115 CA LEU A 9 -3.306 -1.336 -0.103 1.00 0.00 C ATOM 116 C LEU A 9 -2.186 -0.484 -0.695 1.00 0.00 C ATOM 117 O LEU A 9 -1.088 -0.972 -0.958 1.00 0.00 O ATOM 118 CB LEU A 9 -4.248 -1.801 -1.215 1.00 0.00 C ATOM 119 CG LEU A 9 -4.937 -3.143 -0.961 1.00 0.00 C ATOM 120 CD1 LEU A 9 -6.330 -2.927 -0.392 1.00 0.00 C ATOM 121 CD2 LEU A 9 -5.001 -3.960 -2.243 1.00 0.00 C ATOM 0 H LEU A 9 -5.056 -0.578 0.781 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.867 -2.210 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.013 -1.039 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.682 -1.870 -2.144 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.351 -3.699 -0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.805 -3.892 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.258 -2.382 0.549 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.927 -2.351 -1.099 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.494 -4.911 -2.044 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.564 -3.410 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.991 -4.144 -2.608 1.00 0.00 H new ATOM 133 N ALA A 10 -2.476 0.799 -0.884 1.00 0.00 N ATOM 134 CA ALA A 10 -1.512 1.750 -1.433 1.00 0.00 C ATOM 135 C ALA A 10 -0.158 1.661 -0.730 1.00 0.00 C ATOM 136 O ALA A 10 0.861 2.090 -1.272 1.00 0.00 O ATOM 137 CB ALA A 10 -2.061 3.165 -1.331 1.00 0.00 C ATOM 0 H ALA A 10 -3.383 1.210 -0.662 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.356 1.493 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.336 3.867 -1.742 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.993 3.235 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.248 3.408 -0.285 1.00 0.00 H new ATOM 143 N ARG A 11 -0.154 1.116 0.482 1.00 0.00 N ATOM 144 CA ARG A 11 1.066 0.987 1.256 1.00 0.00 C ATOM 145 C ARG A 11 1.785 -0.323 0.941 1.00 0.00 C ATOM 146 O ARG A 11 3.002 -0.336 0.794 1.00 0.00 O ATOM 147 CB ARG A 11 0.761 1.110 2.760 1.00 0.00 C ATOM 148 CG ARG A 11 0.400 -0.201 3.449 1.00 0.00 C ATOM 149 CD ARG A 11 -0.588 0.007 4.590 1.00 0.00 C ATOM 150 NE ARG A 11 -0.356 1.254 5.318 1.00 0.00 N ATOM 151 CZ ARG A 11 -1.188 1.737 6.240 1.00 0.00 C ATOM 152 NH1 ARG A 11 -2.297 1.076 6.553 1.00 0.00 N ATOM 153 NH2 ARG A 11 -0.912 2.881 6.850 1.00 0.00 N ATOM 0 H ARG A 11 -0.988 0.757 0.947 1.00 0.00 H new ATOM 0 HA ARG A 11 1.736 1.800 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.630 1.539 3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.062 1.813 2.893 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.028 -0.888 2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.306 -0.669 3.834 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.602 0.007 4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.518 -0.832 5.283 1.00 0.00 H new ATOM 0 HE ARG A 11 0.490 1.784 5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.514 0.195 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.931 1.449 7.259 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.062 3.393 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.550 3.250 7.556 1.00 0.00 H new ATOM 167 N ILE A 12 1.042 -1.424 0.823 1.00 0.00 N ATOM 168 CA ILE A 12 1.669 -2.708 0.519 1.00 0.00 C ATOM 169 C ILE A 12 2.494 -2.616 -0.755 1.00 0.00 C ATOM 170 O ILE A 12 3.555 -3.230 -0.867 1.00 0.00 O ATOM 171 CB ILE A 12 0.656 -3.855 0.380 1.00 0.00 C ATOM 172 CG1 ILE A 12 -0.370 -3.559 -0.715 1.00 0.00 C ATOM 173 CG2 ILE A 12 -0.039 -4.116 1.707 1.00 0.00 C ATOM 174 CD1 ILE A 12 -0.853 -4.796 -1.440 1.00 0.00 C ATOM 0 H ILE A 12 0.028 -1.453 0.931 1.00 0.00 H new ATOM 0 HA ILE A 12 2.313 -2.936 1.369 1.00 0.00 H new ATOM 0 HB ILE A 12 1.203 -4.752 0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.226 -3.050 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.070 -2.872 -1.438 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.753 -4.931 1.590 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.702 -4.388 2.459 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.565 -3.216 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.578 -4.511 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.007 -5.295 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.323 -5.475 -0.728 1.00 0.00 H new ATOM 186 N LEU A 13 2.018 -1.816 -1.700 1.00 0.00 N ATOM 187 CA LEU A 13 2.744 -1.614 -2.950 1.00 0.00 C ATOM 188 C LEU A 13 4.038 -0.888 -2.639 1.00 0.00 C ATOM 189 O LEU A 13 5.039 -1.038 -3.337 1.00 0.00 O ATOM 190 CB LEU A 13 1.929 -0.820 -3.982 1.00 0.00 C ATOM 191 CG LEU A 13 0.778 0.017 -3.422 1.00 0.00 C ATOM 192 CD1 LEU A 13 0.704 1.367 -4.121 1.00 0.00 C ATOM 193 CD2 LEU A 13 -0.537 -0.735 -3.573 1.00 0.00 C ATOM 0 H LEU A 13 1.141 -1.300 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 13 2.942 -2.590 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.607 -0.157 -4.520 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.522 -1.520 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 13 0.961 0.194 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.122 1.946 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.638 1.907 -3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.542 1.216 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.350 -0.130 -3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.722 -0.937 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.482 -1.677 -3.028 1.00 0.00 H new ATOM 205 N GLY A 14 4.011 -0.119 -1.555 1.00 0.00 N ATOM 206 CA GLY A 14 5.191 0.595 -1.129 1.00 0.00 C ATOM 207 C GLY A 14 5.973 -0.198 -0.096 1.00 0.00 C ATOM 208 O GLY A 14 7.136 0.085 0.152 1.00 0.00 O ATOM 0 H GLY A 14 3.190 0.020 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.826 0.799 -1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.904 1.559 -0.709 1.00 0.00 H new ATOM 212 N ARG A 15 5.320 -1.199 0.499 1.00 0.00 N ATOM 213 CA ARG A 15 5.943 -2.059 1.510 1.00 0.00 C ATOM 214 C ARG A 15 6.381 -3.383 0.890 1.00 0.00 C ATOM 215 O ARG A 15 6.465 -4.405 1.571 1.00 0.00 O ATOM 216 CB ARG A 15 4.978 -2.315 2.670 1.00 0.00 C ATOM 217 CG ARG A 15 4.919 -1.178 3.677 1.00 0.00 C ATOM 218 CD ARG A 15 4.115 -0.006 3.140 1.00 0.00 C ATOM 219 NE ARG A 15 4.173 1.157 4.023 1.00 0.00 N ATOM 220 CZ ARG A 15 3.587 1.217 5.216 1.00 0.00 C ATOM 221 NH1 ARG A 15 2.895 0.184 5.679 1.00 0.00 N ATOM 222 NH2 ARG A 15 3.690 2.317 5.948 1.00 0.00 N ATOM 0 H ARG A 15 4.349 -1.436 0.295 1.00 0.00 H new ATOM 0 HA ARG A 15 6.823 -1.546 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 15 3.979 -2.486 2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.276 -3.229 3.184 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.471 -1.534 4.605 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.930 -0.849 3.917 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.492 0.269 2.155 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.076 -0.310 3.011 1.00 0.00 H new ATOM 0 HE ARG A 15 4.695 1.973 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.809 -0.664 5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.449 0.238 6.595 1.00 0.00 H new ATOM 0 HH21 ARG A 15 4.218 3.116 5.597 1.00 0.00 H new ATOM 0 HH22 ARG A 15 3.241 2.365 6.863 1.00 0.00 H new ATOM 236 N VAL A 16 6.661 -3.351 -0.405 1.00 0.00 N ATOM 237 CA VAL A 16 7.096 -4.534 -1.135 1.00 0.00 C ATOM 238 C VAL A 16 8.529 -4.321 -1.516 1.00 0.00 C ATOM 239 O VAL A 16 9.410 -5.123 -1.208 1.00 0.00 O ATOM 240 CB VAL A 16 6.235 -4.805 -2.391 1.00 0.00 C ATOM 241 CG1 VAL A 16 6.301 -3.643 -3.367 1.00 0.00 C ATOM 242 CG2 VAL A 16 6.667 -6.098 -3.064 1.00 0.00 C ATOM 0 H VAL A 16 6.594 -2.509 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 16 6.982 -5.411 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 16 5.198 -4.910 -2.071 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.685 -3.865 -4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.932 -2.739 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.333 -3.490 -3.681 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.051 -6.273 -3.946 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.713 -6.021 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.548 -6.928 -2.368 1.00 0.00 H new ATOM 252 N ILE A 17 8.758 -3.158 -2.096 1.00 0.00 N ATOM 253 CA ILE A 17 10.078 -2.734 -2.422 1.00 0.00 C ATOM 254 C ILE A 17 10.077 -1.229 -2.346 1.00 0.00 C ATOM 255 O ILE A 17 9.955 -0.528 -3.350 1.00 0.00 O ATOM 256 CB ILE A 17 10.507 -3.182 -3.835 1.00 0.00 C ATOM 257 CG1 ILE A 17 10.404 -4.703 -3.971 1.00 0.00 C ATOM 258 CG2 ILE A 17 11.925 -2.716 -4.131 1.00 0.00 C ATOM 259 CD1 ILE A 17 11.361 -5.456 -3.074 1.00 0.00 C ATOM 0 H ILE A 17 8.027 -2.493 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 17 10.788 -3.183 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 17 9.834 -2.726 -4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.384 -5.012 -3.741 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.595 -4.981 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 17 12.213 -3.040 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.970 -1.628 -4.075 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.609 -3.146 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.232 -6.528 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 17 12.386 -5.176 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.156 -5.208 -2.033 1.00 0.00 H new ATOM 271 N PRO A 18 10.244 -0.725 -1.128 1.00 0.00 N ATOM 272 CA PRO A 18 10.303 0.664 -0.822 1.00 0.00 C ATOM 273 C PRO A 18 11.744 1.139 -0.864 1.00 0.00 C ATOM 274 O PRO A 18 12.663 0.372 -1.149 1.00 0.00 O ATOM 275 CB PRO A 18 9.728 0.759 0.603 1.00 0.00 C ATOM 276 CG PRO A 18 9.561 -0.659 1.055 1.00 0.00 C ATOM 277 CD PRO A 18 10.380 -1.469 0.101 1.00 0.00 C ATOM 0 HA PRO A 18 9.751 1.285 -1.528 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.401 1.306 1.263 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.775 1.289 0.609 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.906 -0.789 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.514 -0.960 1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.420 -1.543 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.003 -2.487 0.004 1.00 0.00 H new ATOM 285 N LYS A 19 11.921 2.395 -0.580 1.00 0.00 N ATOM 286 CA LYS A 19 13.242 3.012 -0.574 1.00 0.00 C ATOM 287 C LYS A 19 14.100 2.457 0.560 1.00 0.00 C ATOM 288 O LYS A 19 15.323 2.383 0.446 1.00 0.00 O ATOM 289 CB LYS A 19 13.124 4.532 -0.443 1.00 0.00 C ATOM 290 CG LYS A 19 12.477 4.985 0.858 1.00 0.00 C ATOM 291 CD LYS A 19 13.361 5.968 1.616 1.00 0.00 C ATOM 292 CE LYS A 19 13.867 5.378 2.924 1.00 0.00 C ATOM 293 NZ LYS A 19 15.355 5.337 2.975 1.00 0.00 N1+ ATOM 0 H LYS A 19 11.161 3.033 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 19 13.726 2.775 -1.521 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.118 4.973 -0.517 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.542 4.916 -1.281 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.516 5.452 0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.277 4.117 1.486 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.209 6.250 0.992 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.799 6.879 1.821 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.491 5.970 3.759 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.472 4.369 3.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.659 4.737 3.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.722 4.945 2.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.724 6.300 3.108 1.00 0.00 H new ATOM 307 N VAL A 20 13.449 2.064 1.651 1.00 0.00 N ATOM 308 CA VAL A 20 14.151 1.513 2.805 1.00 0.00 C ATOM 309 C VAL A 20 15.138 2.520 3.385 1.00 0.00 C ATOM 310 O VAL A 20 16.242 2.659 2.818 1.00 0.00 O ATOM 311 CB VAL A 20 14.909 0.222 2.441 1.00 0.00 C ATOM 312 CG1 VAL A 20 15.432 -0.462 3.695 1.00 0.00 C ATOM 313 CG2 VAL A 20 14.013 -0.716 1.647 1.00 0.00 C ATOM 314 OXT VAL A 20 14.800 3.160 4.403 1.00 0.00 O ATOM 0 H VAL A 20 12.436 2.117 1.760 1.00 0.00 H new ATOM 0 HA VAL A 20 13.391 1.282 3.552 1.00 0.00 H new ATOM 0 HB VAL A 20 15.763 0.487 1.817 1.00 0.00 H new ATOM 0 HG11 VAL A 20 15.964 -1.372 3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.111 0.210 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.596 -0.715 4.347 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.565 -1.623 1.398 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.138 -0.975 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.693 -0.223 0.729 1.00 0.00 H new