USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 280 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 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 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 14 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.1 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 49 N LYS A 3 -0.818 -3.275 0.605 1.00 3.23 N ATOM 50 CA LYS A 3 -1.935 -3.221 1.541 1.00 61.33 C ATOM 51 C LYS A 3 -3.077 -2.382 0.977 1.00 42.30 C ATOM 52 O LYS A 3 -4.193 -2.872 0.804 1.00 51.10 O ATOM 53 CB LYS A 3 -1.477 -2.644 2.882 1.00 42.32 C ATOM 54 CG LYS A 3 -1.281 -3.694 3.961 1.00 10.04 C ATOM 55 CD LYS A 3 0.028 -4.444 3.779 1.00 73.23 C ATOM 56 CE LYS A 3 1.167 -3.767 4.525 1.00 30.33 C ATOM 57 NZ LYS A 3 2.356 -3.560 3.653 1.00 51.11 N ATOM 0 HA LYS A 3 -2.296 -4.238 1.695 1.00 61.33 H new ATOM 0 HB2 LYS A 3 -0.540 -2.106 2.736 1.00 42.32 H new ATOM 0 HB3 LYS A 3 -2.212 -1.916 3.225 1.00 42.32 H new ATOM 0 HG2 LYS A 3 -1.295 -3.217 4.941 1.00 10.04 H new ATOM 0 HG3 LYS A 3 -2.112 -4.399 3.938 1.00 10.04 H new ATOM 0 HD2 LYS A 3 -0.085 -5.467 4.137 1.00 73.23 H new ATOM 0 HD3 LYS A 3 0.271 -4.502 2.718 1.00 73.23 H new ATOM 0 HE2 LYS A 3 0.828 -2.806 4.911 1.00 30.33 H new ATOM 0 HE3 LYS A 3 1.449 -4.374 5.385 1.00 30.33 H new ATOM 0 HZ1 LYS A 3 3.110 -3.096 4.199 1.00 51.11 H new ATOM 0 HZ2 LYS A 3 2.696 -4.479 3.305 1.00 51.11 H new ATOM 0 HZ3 LYS A 3 2.094 -2.960 2.845 1.00 51.11 H new ATOM 71 N ILE A 4 -2.790 -1.116 0.691 1.00 24.24 N ATOM 72 CA ILE A 4 -3.792 -0.210 0.145 1.00 72.42 C ATOM 73 C ILE A 4 -4.389 -0.764 -1.145 1.00 23.23 C ATOM 74 O ILE A 4 -5.607 -0.888 -1.275 1.00 43.42 O ATOM 75 CB ILE A 4 -3.199 1.183 -0.134 1.00 54.42 C ATOM 76 CG1 ILE A 4 -2.527 1.737 1.124 1.00 73.10 C ATOM 77 CG2 ILE A 4 -4.284 2.132 -0.623 1.00 63.01 C ATOM 78 CD1 ILE A 4 -3.466 1.868 2.303 1.00 53.14 C ATOM 0 H ILE A 4 -1.871 -0.695 0.829 1.00 24.24 H new ATOM 0 HA ILE A 4 -4.577 -0.118 0.896 1.00 72.42 H new ATOM 0 HB ILE A 4 -2.445 1.091 -0.915 1.00 54.42 H new ATOM 0 HG12 ILE A 4 -1.698 1.085 1.401 1.00 73.10 H new ATOM 0 HG13 ILE A 4 -2.102 2.715 0.898 1.00 73.10 H new ATOM 0 HG21 ILE A 4 -3.850 3.113 -0.816 1.00 63.01 H new ATOM 0 HG22 ILE A 4 -4.722 1.742 -1.542 1.00 63.01 H new ATOM 0 HG23 ILE A 4 -5.059 2.222 0.138 1.00 63.01 H new ATOM 0 HD11 ILE A 4 -2.922 2.267 3.159 1.00 53.14 H new ATOM 0 HD12 ILE A 4 -4.282 2.543 2.045 1.00 53.14 H new ATOM 0 HD13 ILE A 4 -3.872 0.888 2.555 1.00 53.14 H new ATOM 90 N PHE A 5 -3.522 -1.098 -2.095 1.00 71.42 N ATOM 91 CA PHE A 5 -3.963 -1.641 -3.375 1.00 42.42 C ATOM 92 C PHE A 5 -4.903 -2.825 -3.170 1.00 2.24 C ATOM 93 O PHE A 5 -6.063 -2.791 -3.581 1.00 1.43 O ATOM 94 CB PHE A 5 -2.757 -2.071 -4.213 1.00 31.41 C ATOM 95 CG PHE A 5 -3.109 -2.434 -5.627 1.00 63.24 C ATOM 96 CD1 PHE A 5 -3.597 -1.476 -6.501 1.00 60.33 C ATOM 97 CD2 PHE A 5 -2.952 -3.733 -6.083 1.00 24.32 C ATOM 98 CE1 PHE A 5 -3.921 -1.807 -7.804 1.00 12.32 C ATOM 99 CE2 PHE A 5 -3.274 -4.069 -7.384 1.00 63.51 C ATOM 100 CZ PHE A 5 -3.760 -3.105 -8.245 1.00 72.43 C ATOM 0 H PHE A 5 -2.511 -1.002 -2.003 1.00 71.42 H new ATOM 0 HA PHE A 5 -4.505 -0.858 -3.906 1.00 42.42 H new ATOM 0 HB2 PHE A 5 -2.026 -1.262 -4.225 1.00 31.41 H new ATOM 0 HB3 PHE A 5 -2.279 -2.926 -3.735 1.00 31.41 H new ATOM 0 HD1 PHE A 5 -3.726 -0.459 -6.161 1.00 60.33 H new ATOM 0 HD2 PHE A 5 -2.574 -4.492 -5.414 1.00 24.32 H new ATOM 0 HE1 PHE A 5 -4.300 -1.051 -8.476 1.00 12.32 H new ATOM 0 HE2 PHE A 5 -3.146 -5.085 -7.727 1.00 63.51 H new ATOM 0 HZ PHE A 5 -4.014 -3.366 -9.262 1.00 72.43 H new ATOM 110 N LYS A 6 -4.393 -3.873 -2.531 1.00 15.32 N ATOM 111 CA LYS A 6 -5.185 -5.069 -2.269 1.00 14.42 C ATOM 112 C LYS A 6 -6.479 -4.716 -1.542 1.00 54.03 C ATOM 113 O LYS A 6 -7.559 -5.173 -1.918 1.00 30.42 O ATOM 114 CB LYS A 6 -4.378 -6.068 -1.438 1.00 24.22 C ATOM 115 CG LYS A 6 -3.263 -6.746 -2.216 1.00 75.22 C ATOM 116 CD LYS A 6 -3.185 -8.230 -1.900 1.00 32.34 C ATOM 117 CE LYS A 6 -2.257 -8.957 -2.861 1.00 31.03 C ATOM 118 NZ LYS A 6 -2.829 -10.258 -3.307 1.00 42.42 N ATOM 0 H LYS A 6 -3.435 -3.918 -2.185 1.00 15.32 H new ATOM 0 HA LYS A 6 -5.439 -5.523 -3.227 1.00 14.42 H new ATOM 0 HB2 LYS A 6 -3.949 -5.551 -0.580 1.00 24.22 H new ATOM 0 HB3 LYS A 6 -5.052 -6.830 -1.046 1.00 24.22 H new ATOM 0 HG2 LYS A 6 -3.428 -6.609 -3.285 1.00 75.22 H new ATOM 0 HG3 LYS A 6 -2.311 -6.272 -1.977 1.00 75.22 H new ATOM 0 HD2 LYS A 6 -2.832 -8.367 -0.878 1.00 32.34 H new ATOM 0 HD3 LYS A 6 -4.182 -8.667 -1.954 1.00 32.34 H new ATOM 0 HE2 LYS A 6 -2.068 -8.327 -3.730 1.00 31.03 H new ATOM 0 HE3 LYS A 6 -1.296 -9.130 -2.377 1.00 31.03 H new ATOM 0 HZ1 LYS A 6 -2.167 -10.723 -3.961 1.00 42.42 H new ATOM 0 HZ2 LYS A 6 -2.986 -10.870 -2.481 1.00 42.42 H new ATOM 0 HZ3 LYS A 6 -3.734 -10.091 -3.792 1.00 42.42 H new ATOM 132 N LYS A 7 -6.364 -3.899 -0.501 1.00 51.30 N ATOM 133 CA LYS A 7 -7.525 -3.482 0.277 1.00 4.30 C ATOM 134 C LYS A 7 -8.571 -2.823 -0.617 1.00 21.44 C ATOM 135 O LYS A 7 -9.668 -3.353 -0.798 1.00 25.40 O ATOM 136 CB LYS A 7 -7.101 -2.513 1.383 1.00 12.24 C ATOM 137 CG LYS A 7 -8.226 -2.151 2.338 1.00 4.02 C ATOM 138 CD LYS A 7 -8.557 -3.303 3.272 1.00 24.01 C ATOM 139 CE LYS A 7 -10.054 -3.412 3.514 1.00 12.32 C ATOM 140 NZ LYS A 7 -10.360 -4.105 4.796 1.00 70.41 N ATOM 0 H LYS A 7 -5.478 -3.512 -0.176 1.00 51.30 H new ATOM 0 HA LYS A 7 -7.967 -4.370 0.729 1.00 4.30 H new ATOM 0 HB2 LYS A 7 -6.283 -2.957 1.950 1.00 12.24 H new ATOM 0 HB3 LYS A 7 -6.715 -1.601 0.927 1.00 12.24 H new ATOM 0 HG2 LYS A 7 -7.940 -1.277 2.924 1.00 4.02 H new ATOM 0 HG3 LYS A 7 -9.114 -1.877 1.768 1.00 4.02 H new ATOM 0 HD2 LYS A 7 -8.187 -4.236 2.846 1.00 24.01 H new ATOM 0 HD3 LYS A 7 -8.043 -3.161 4.223 1.00 24.01 H new ATOM 0 HE2 LYS A 7 -10.493 -2.415 3.527 1.00 12.32 H new ATOM 0 HE3 LYS A 7 -10.517 -3.954 2.689 1.00 12.32 H new ATOM 0 HZ1 LYS A 7 -11.391 -4.159 4.924 1.00 70.41 H new ATOM 0 HZ2 LYS A 7 -9.963 -5.066 4.775 1.00 70.41 H new ATOM 0 HZ3 LYS A 7 -9.940 -3.575 5.586 1.00 70.41 H new ATOM 154 N ILE A 8 -8.224 -1.668 -1.173 1.00 54.31 N ATOM 155 CA ILE A 8 -9.133 -0.940 -2.050 1.00 12.32 C ATOM 156 C ILE A 8 -9.673 -1.842 -3.154 1.00 65.23 C ATOM 157 O ILE A 8 -10.864 -1.821 -3.459 1.00 54.15 O ATOM 158 CB ILE A 8 -8.443 0.279 -2.690 1.00 4.13 C ATOM 159 CG1 ILE A 8 -7.919 1.224 -1.606 1.00 34.33 C ATOM 160 CG2 ILE A 8 -9.405 1.008 -3.615 1.00 72.14 C ATOM 161 CD1 ILE A 8 -9.013 1.837 -0.759 1.00 61.41 C ATOM 0 H ILE A 8 -7.321 -1.216 -1.032 1.00 54.31 H new ATOM 0 HA ILE A 8 -9.960 -0.595 -1.430 1.00 12.32 H new ATOM 0 HB ILE A 8 -7.597 -0.071 -3.281 1.00 4.13 H new ATOM 0 HG12 ILE A 8 -7.233 0.677 -0.959 1.00 34.33 H new ATOM 0 HG13 ILE A 8 -7.345 2.022 -2.077 1.00 34.33 H new ATOM 0 HG21 ILE A 8 -8.902 1.867 -4.059 1.00 72.14 H new ATOM 0 HG22 ILE A 8 -9.734 0.332 -4.404 1.00 72.14 H new ATOM 0 HG23 ILE A 8 -10.270 1.349 -3.045 1.00 72.14 H new ATOM 0 HD11 ILE A 8 -8.569 2.495 -0.012 1.00 61.41 H new ATOM 0 HD12 ILE A 8 -9.686 2.412 -1.395 1.00 61.41 H new ATOM 0 HD13 ILE A 8 -9.573 1.046 -0.259 1.00 61.41 H new ATOM 173 N GLU A 9 -8.786 -2.635 -3.748 1.00 75.53 N ATOM 174 CA GLU A 9 -9.175 -3.547 -4.819 1.00 4.35 C ATOM 175 C GLU A 9 -10.229 -4.538 -4.334 1.00 3.24 C ATOM 176 O GLU A 9 -11.235 -4.770 -5.004 1.00 63.14 O ATOM 177 CB GLU A 9 -7.952 -4.302 -5.344 1.00 11.00 C ATOM 178 CG GLU A 9 -7.092 -3.483 -6.292 1.00 71.42 C ATOM 179 CD GLU A 9 -7.522 -3.626 -7.739 1.00 42.44 C ATOM 180 OE1 GLU A 9 -7.517 -4.766 -8.250 1.00 13.44 O ATOM 181 OE2 GLU A 9 -7.862 -2.598 -8.362 1.00 11.13 O ATOM 0 H GLU A 9 -7.795 -2.665 -3.507 1.00 75.53 H new ATOM 0 HA GLU A 9 -9.603 -2.955 -5.628 1.00 4.35 H new ATOM 0 HB2 GLU A 9 -7.343 -4.622 -4.499 1.00 11.00 H new ATOM 0 HB3 GLU A 9 -8.285 -5.204 -5.857 1.00 11.00 H new ATOM 0 HG2 GLU A 9 -7.140 -2.433 -6.005 1.00 71.42 H new ATOM 0 HG3 GLU A 9 -6.052 -3.794 -6.193 1.00 71.42 H new ATOM 188 N LYS A 10 -9.991 -5.120 -3.163 1.00 64.33 N ATOM 189 CA LYS A 10 -10.918 -6.086 -2.586 1.00 61.21 C ATOM 190 C LYS A 10 -12.225 -5.412 -2.183 1.00 53.42 C ATOM 191 O LYS A 10 -13.304 -5.984 -2.339 1.00 13.44 O ATOM 192 CB LYS A 10 -10.286 -6.766 -1.369 1.00 73.12 C ATOM 193 CG LYS A 10 -9.629 -8.097 -1.689 1.00 71.42 C ATOM 194 CD LYS A 10 -8.276 -8.229 -1.010 1.00 50.24 C ATOM 195 CE LYS A 10 -7.869 -9.686 -0.856 1.00 61.23 C ATOM 196 NZ LYS A 10 -6.871 -9.871 0.234 1.00 74.23 N ATOM 0 H LYS A 10 -9.163 -4.939 -2.595 1.00 64.33 H new ATOM 0 HA LYS A 10 -11.137 -6.839 -3.343 1.00 61.21 H new ATOM 0 HB2 LYS A 10 -9.542 -6.098 -0.936 1.00 73.12 H new ATOM 0 HB3 LYS A 10 -11.054 -6.922 -0.611 1.00 73.12 H new ATOM 0 HG2 LYS A 10 -10.279 -8.911 -1.368 1.00 71.42 H new ATOM 0 HG3 LYS A 10 -9.507 -8.193 -2.768 1.00 71.42 H new ATOM 0 HD2 LYS A 10 -7.522 -7.699 -1.593 1.00 50.24 H new ATOM 0 HD3 LYS A 10 -8.312 -7.755 -0.029 1.00 50.24 H new ATOM 0 HE2 LYS A 10 -8.752 -10.289 -0.646 1.00 61.23 H new ATOM 0 HE3 LYS A 10 -7.452 -10.048 -1.796 1.00 61.23 H new ATOM 0 HZ1 LYS A 10 -6.619 -10.877 0.307 1.00 74.23 H new ATOM 0 HZ2 LYS A 10 -6.018 -9.315 0.022 1.00 74.23 H new ATOM 0 HZ3 LYS A 10 -7.278 -9.550 1.136 1.00 74.23 H new ATOM 210 N VAL A 11 -12.122 -4.191 -1.666 1.00 64.33 N ATOM 211 CA VAL A 11 -13.296 -3.438 -1.244 1.00 11.23 C ATOM 212 C VAL A 11 -14.228 -3.168 -2.419 1.00 74.24 C ATOM 213 O VAL A 11 -15.443 -3.065 -2.251 1.00 43.14 O ATOM 214 CB VAL A 11 -12.900 -2.096 -0.599 1.00 31.34 C ATOM 215 CG1 VAL A 11 -14.139 -1.311 -0.195 1.00 21.41 C ATOM 216 CG2 VAL A 11 -11.992 -2.329 0.600 1.00 74.33 C ATOM 0 H VAL A 11 -11.237 -3.703 -1.530 1.00 64.33 H new ATOM 0 HA VAL A 11 -13.815 -4.049 -0.506 1.00 11.23 H new ATOM 0 HB VAL A 11 -12.350 -1.508 -1.334 1.00 31.34 H new ATOM 0 HG11 VAL A 11 -13.839 -0.366 0.259 1.00 21.41 H new ATOM 0 HG12 VAL A 11 -14.748 -1.113 -1.077 1.00 21.41 H new ATOM 0 HG13 VAL A 11 -14.719 -1.891 0.523 1.00 21.41 H new ATOM 0 HG21 VAL A 11 -11.722 -1.371 1.044 1.00 74.33 H new ATOM 0 HG22 VAL A 11 -12.514 -2.937 1.339 1.00 74.33 H new ATOM 0 HG23 VAL A 11 -11.089 -2.847 0.277 1.00 74.33 H new ATOM 226 N GLY A 12 -13.651 -3.056 -3.612 1.00 10.51 N ATOM 227 CA GLY A 12 -14.445 -2.799 -4.799 1.00 71.23 C ATOM 228 C GLY A 12 -15.030 -4.067 -5.391 1.00 5.34 C ATOM 229 O GLY A 12 -16.120 -4.048 -5.961 1.00 53.22 O ATOM 0 H GLY A 12 -12.648 -3.139 -3.777 1.00 10.51 H new ATOM 0 HA2 GLY A 12 -15.253 -2.111 -4.550 1.00 71.23 H new ATOM 0 HA3 GLY A 12 -13.825 -2.305 -5.547 1.00 71.23 H new ATOM 233 N ARG A 13 -14.302 -5.171 -5.256 1.00 50.31 N ATOM 234 CA ARG A 13 -14.754 -6.452 -5.784 1.00 63.42 C ATOM 235 C ARG A 13 -15.771 -7.098 -4.848 1.00 53.13 C ATOM 236 O ARG A 13 -16.713 -7.752 -5.295 1.00 42.52 O ATOM 237 CB ARG A 13 -13.564 -7.392 -5.988 1.00 22.15 C ATOM 238 CG ARG A 13 -13.837 -8.517 -6.973 1.00 13.41 C ATOM 239 CD ARG A 13 -12.679 -8.704 -7.940 1.00 24.23 C ATOM 240 NE ARG A 13 -11.677 -9.631 -7.420 1.00 4.01 N ATOM 241 CZ ARG A 13 -11.846 -10.948 -7.376 1.00 12.32 C ATOM 242 NH1 ARG A 13 -12.972 -11.490 -7.818 1.00 54.44 N ATOM 243 NH2 ARG A 13 -10.888 -11.725 -6.888 1.00 61.45 N ATOM 0 H ARG A 13 -13.397 -5.204 -4.786 1.00 50.31 H new ATOM 0 HA ARG A 13 -15.235 -6.271 -6.745 1.00 63.42 H new ATOM 0 HB2 ARG A 13 -12.710 -6.812 -6.339 1.00 22.15 H new ATOM 0 HB3 ARG A 13 -13.283 -7.822 -5.027 1.00 22.15 H new ATOM 0 HG2 ARG A 13 -14.011 -9.445 -6.428 1.00 13.41 H new ATOM 0 HG3 ARG A 13 -14.747 -8.300 -7.532 1.00 13.41 H new ATOM 0 HD2 ARG A 13 -13.058 -9.076 -8.892 1.00 24.23 H new ATOM 0 HD3 ARG A 13 -12.212 -7.739 -8.138 1.00 24.23 H new ATOM 0 HE ARG A 13 -10.799 -9.246 -7.071 1.00 4.01 H new ATOM 0 HH11 ARG A 13 -13.711 -10.896 -8.193 1.00 54.44 H new ATOM 0 HH12 ARG A 13 -13.099 -12.501 -7.783 1.00 54.44 H new ATOM 0 HH21 ARG A 13 -10.021 -11.311 -6.546 1.00 61.45 H new ATOM 0 HH22 ARG A 13 -11.019 -12.736 -6.855 1.00 61.45 H new ATOM 257 N ASN A 14 -15.574 -6.910 -3.547 1.00 41.35 N ATOM 258 CA ASN A 14 -16.474 -7.475 -2.548 1.00 43.43 C ATOM 259 C ASN A 14 -17.919 -7.075 -2.830 1.00 60.20 C ATOM 260 O ASN A 14 -18.764 -7.923 -3.116 1.00 34.22 O ATOM 261 CB ASN A 14 -16.069 -7.012 -1.147 1.00 43.23 C ATOM 262 CG ASN A 14 -15.529 -8.146 -0.297 1.00 43.25 C ATOM 263 OD1 ASN A 14 -16.180 -9.178 -0.133 1.00 42.32 O ATOM 264 ND2 ASN A 14 -14.332 -7.958 0.248 1.00 75.52 N ATOM 0 H ASN A 14 -14.799 -6.371 -3.160 1.00 41.35 H new ATOM 0 HA ASN A 14 -16.399 -8.561 -2.600 1.00 43.43 H new ATOM 0 HB2 ASN A 14 -15.313 -6.232 -1.230 1.00 43.23 H new ATOM 0 HB3 ASN A 14 -16.932 -6.568 -0.650 1.00 43.23 H new ATOM 0 HD21 ASN A 14 -13.917 -8.686 0.830 1.00 75.52 H new ATOM 0 HD22 ASN A 14 -13.828 -7.086 0.085 1.00 75.52 H new ATOM 271 N VAL A 15 -18.195 -5.778 -2.748 1.00 14.41 N ATOM 272 CA VAL A 15 -19.538 -5.265 -2.995 1.00 45.45 C ATOM 273 C VAL A 15 -20.082 -5.771 -4.326 1.00 54.23 C ATOM 274 O VAL A 15 -21.168 -6.348 -4.385 1.00 31.32 O ATOM 275 CB VAL A 15 -19.558 -3.725 -2.997 1.00 53.52 C ATOM 276 CG1 VAL A 15 -20.984 -3.210 -3.128 1.00 44.32 C ATOM 277 CG2 VAL A 15 -18.900 -3.182 -1.738 1.00 13.24 C ATOM 0 H VAL A 15 -17.507 -5.063 -2.512 1.00 14.41 H new ATOM 0 HA VAL A 15 -20.171 -5.628 -2.185 1.00 45.45 H new ATOM 0 HB VAL A 15 -18.989 -3.373 -3.857 1.00 53.52 H new ATOM 0 HG11 VAL A 15 -20.979 -2.120 -3.128 1.00 44.32 H new ATOM 0 HG12 VAL A 15 -21.417 -3.570 -4.061 1.00 44.32 H new ATOM 0 HG13 VAL A 15 -21.579 -3.570 -2.289 1.00 44.32 H new ATOM 0 HG21 VAL A 15 -18.923 -2.092 -1.756 1.00 13.24 H new ATOM 0 HG22 VAL A 15 -19.439 -3.542 -0.862 1.00 13.24 H new ATOM 0 HG23 VAL A 15 -17.865 -3.522 -1.692 1.00 13.24 H new ATOM 287 N ARG A 16 -19.321 -5.551 -5.393 1.00 53.32 N ATOM 288 CA ARG A 16 -19.728 -5.984 -6.724 1.00 71.15 C ATOM 289 C ARG A 16 -20.110 -7.461 -6.722 1.00 71.43 C ATOM 290 O ARG A 16 -21.257 -7.817 -6.993 1.00 14.41 O ATOM 291 CB ARG A 16 -18.602 -5.739 -7.730 1.00 63.12 C ATOM 292 CG ARG A 16 -18.458 -4.283 -8.141 1.00 1.22 C ATOM 293 CD ARG A 16 -19.143 -4.009 -9.470 1.00 54.52 C ATOM 294 NE ARG A 16 -20.017 -2.840 -9.405 1.00 4.30 N ATOM 295 CZ ARG A 16 -19.571 -1.596 -9.262 1.00 61.53 C ATOM 296 NH1 ARG A 16 -18.269 -1.362 -9.171 1.00 52.30 N ATOM 297 NH2 ARG A 16 -20.428 -0.585 -9.211 1.00 51.13 N ATOM 0 H ARG A 16 -18.419 -5.075 -5.362 1.00 53.32 H new ATOM 0 HA ARG A 16 -20.601 -5.401 -7.017 1.00 71.15 H new ATOM 0 HB2 ARG A 16 -17.661 -6.081 -7.299 1.00 63.12 H new ATOM 0 HB3 ARG A 16 -18.783 -6.342 -8.619 1.00 63.12 H new ATOM 0 HG2 ARG A 16 -18.887 -3.642 -7.371 1.00 1.22 H new ATOM 0 HG3 ARG A 16 -17.401 -4.028 -8.216 1.00 1.22 H new ATOM 0 HD2 ARG A 16 -18.389 -3.855 -10.242 1.00 54.52 H new ATOM 0 HD3 ARG A 16 -19.726 -4.882 -9.764 1.00 54.52 H new ATOM 0 HE ARG A 16 -21.024 -2.986 -9.473 1.00 4.30 H new ATOM 0 HH11 ARG A 16 -17.607 -2.137 -9.211 1.00 52.30 H new ATOM 0 HH12 ARG A 16 -17.929 -0.407 -9.061 1.00 52.30 H new ATOM 0 HH21 ARG A 16 -21.430 -0.762 -9.282 1.00 51.13 H new ATOM 0 HH22 ARG A 16 -20.085 0.369 -9.101 1.00 51.13 H new ATOM 311 N ASP A 17 -19.141 -8.317 -6.416 1.00 33.02 N ATOM 312 CA ASP A 17 -19.376 -9.756 -6.378 1.00 3.13 C ATOM 313 C ASP A 17 -20.580 -10.087 -5.502 1.00 20.31 C ATOM 314 O ASP A 17 -21.390 -10.948 -5.843 1.00 12.12 O ATOM 315 CB ASP A 17 -18.135 -10.483 -5.857 1.00 0.34 C ATOM 316 CG ASP A 17 -18.432 -11.911 -5.442 1.00 43.52 C ATOM 317 OD1 ASP A 17 -19.006 -12.104 -4.350 1.00 44.23 O ATOM 318 OD2 ASP A 17 -18.089 -12.835 -6.210 1.00 13.35 O ATOM 0 H ASP A 17 -18.186 -8.040 -6.191 1.00 33.02 H new ATOM 0 HA ASP A 17 -19.585 -10.092 -7.394 1.00 3.13 H new ATOM 0 HB2 ASP A 17 -17.367 -10.485 -6.631 1.00 0.34 H new ATOM 0 HB3 ASP A 17 -17.729 -9.937 -5.005 1.00 0.34 H new ATOM 323 N GLY A 18 -20.690 -9.398 -4.370 1.00 60.10 N ATOM 324 CA GLY A 18 -21.797 -9.635 -3.462 1.00 52.52 C ATOM 325 C GLY A 18 -23.137 -9.288 -4.080 1.00 35.41 C ATOM 326 O GLY A 18 -24.102 -10.042 -3.948 1.00 71.45 O ATOM 0 H GLY A 18 -20.032 -8.680 -4.066 1.00 60.10 H new ATOM 0 HA2 GLY A 18 -21.799 -10.683 -3.162 1.00 52.52 H new ATOM 0 HA3 GLY A 18 -21.654 -9.045 -2.557 1.00 52.52 H new ATOM 330 N ILE A 19 -23.199 -8.145 -4.754 1.00 1.23 N ATOM 331 CA ILE A 19 -24.431 -7.701 -5.393 1.00 13.31 C ATOM 332 C ILE A 19 -24.752 -8.550 -6.618 1.00 41.12 C ATOM 333 O ILE A 19 -25.917 -8.814 -6.915 1.00 34.01 O ATOM 334 CB ILE A 19 -24.345 -6.222 -5.815 1.00 72.12 C ATOM 335 CG1 ILE A 19 -24.071 -5.337 -4.598 1.00 42.50 C ATOM 336 CG2 ILE A 19 -25.629 -5.794 -6.510 1.00 33.02 C ATOM 337 CD1 ILE A 19 -23.495 -3.983 -4.953 1.00 34.33 C ATOM 0 H ILE A 19 -22.410 -7.509 -4.872 1.00 1.23 H new ATOM 0 HA ILE A 19 -25.227 -7.815 -4.657 1.00 13.31 H new ATOM 0 HB ILE A 19 -23.519 -6.107 -6.517 1.00 72.12 H new ATOM 0 HG12 ILE A 19 -25.000 -5.194 -4.046 1.00 42.50 H new ATOM 0 HG13 ILE A 19 -23.380 -5.853 -3.931 1.00 42.50 H new ATOM 0 HG21 ILE A 19 -25.553 -4.747 -6.802 1.00 33.02 H new ATOM 0 HG22 ILE A 19 -25.785 -6.408 -7.397 1.00 33.02 H new ATOM 0 HG23 ILE A 19 -26.471 -5.920 -5.829 1.00 33.02 H new ATOM 0 HD11 ILE A 19 -23.326 -3.409 -4.042 1.00 34.33 H new ATOM 0 HD12 ILE A 19 -22.549 -4.116 -5.478 1.00 34.33 H new ATOM 0 HD13 ILE A 19 -24.194 -3.447 -5.595 1.00 34.33 H new ATOM 349 N ILE A 20 -23.711 -8.976 -7.325 1.00 5.20 N ATOM 350 CA ILE A 20 -23.881 -9.798 -8.516 1.00 53.15 C ATOM 351 C ILE A 20 -24.300 -11.218 -8.149 1.00 42.44 C ATOM 352 O ILE A 20 -25.185 -11.798 -8.778 1.00 34.03 O ATOM 353 CB ILE A 20 -22.588 -9.855 -9.351 1.00 32.41 C ATOM 354 CG1 ILE A 20 -22.175 -8.449 -9.789 1.00 52.13 C ATOM 355 CG2 ILE A 20 -22.778 -10.759 -10.560 1.00 41.33 C ATOM 356 CD1 ILE A 20 -20.678 -8.235 -9.803 1.00 22.41 C ATOM 0 H ILE A 20 -22.740 -8.765 -7.093 1.00 5.20 H new ATOM 0 HA ILE A 20 -24.667 -9.332 -9.111 1.00 53.15 H new ATOM 0 HB ILE A 20 -21.792 -10.270 -8.733 1.00 32.41 H new ATOM 0 HG12 ILE A 20 -22.570 -8.257 -10.786 1.00 52.13 H new ATOM 0 HG13 ILE A 20 -22.632 -7.720 -9.120 1.00 52.13 H new ATOM 0 HG21 ILE A 20 -21.856 -10.789 -11.140 1.00 41.33 H new ATOM 0 HG22 ILE A 20 -23.030 -11.766 -10.226 1.00 41.33 H new ATOM 0 HG23 ILE A 20 -23.585 -10.371 -11.181 1.00 41.33 H new ATOM 0 HD11 ILE A 20 -20.459 -7.216 -10.123 1.00 22.41 H new ATOM 0 HD12 ILE A 20 -20.278 -8.394 -8.802 1.00 22.41 H new ATOM 0 HD13 ILE A 20 -20.216 -8.940 -10.494 1.00 22.41 H new ATOM 368 N LYS A 21 -23.658 -11.772 -7.126 1.00 51.24 N ATOM 369 CA LYS A 21 -23.965 -13.123 -6.672 1.00 4.23 C ATOM 370 C LYS A 21 -25.357 -13.185 -6.051 1.00 62.55 C ATOM 371 O LYS A 21 -26.284 -13.742 -6.639 1.00 63.11 O ATOM 372 CB LYS A 21 -22.920 -13.590 -5.655 1.00 74.13 C ATOM 373 CG LYS A 21 -21.613 -14.035 -6.287 1.00 61.03 C ATOM 374 CD LYS A 21 -21.144 -15.365 -5.722 1.00 34.31 C ATOM 375 CE LYS A 21 -21.803 -16.537 -6.435 1.00 2.34 C ATOM 376 NZ LYS A 21 -20.848 -17.657 -6.660 1.00 45.42 N ATOM 0 H LYS A 21 -22.922 -11.306 -6.596 1.00 51.24 H new ATOM 0 HA LYS A 21 -23.943 -13.785 -7.538 1.00 4.23 H new ATOM 0 HB2 LYS A 21 -22.718 -12.779 -4.956 1.00 74.13 H new ATOM 0 HB3 LYS A 21 -23.333 -14.415 -5.075 1.00 74.13 H new ATOM 0 HG2 LYS A 21 -21.741 -14.122 -7.366 1.00 61.03 H new ATOM 0 HG3 LYS A 21 -20.849 -13.277 -6.117 1.00 61.03 H new ATOM 0 HD2 LYS A 21 -20.061 -15.441 -5.819 1.00 34.31 H new ATOM 0 HD3 LYS A 21 -21.373 -15.410 -4.657 1.00 34.31 H new ATOM 0 HE2 LYS A 21 -22.648 -16.893 -5.845 1.00 2.34 H new ATOM 0 HE3 LYS A 21 -22.202 -16.202 -7.392 1.00 2.34 H new ATOM 0 HZ1 LYS A 21 -21.335 -18.436 -7.148 1.00 45.42 H new ATOM 0 HZ2 LYS A 21 -20.055 -17.325 -7.244 1.00 45.42 H new ATOM 0 HZ3 LYS A 21 -20.486 -17.994 -5.745 1.00 45.42 H new ATOM 421 N ALA A 25 -29.664 -5.688 -2.598 1.00 32.14 N ATOM 422 CA ALA A 25 -28.723 -4.872 -1.841 1.00 43.25 C ATOM 423 C ALA A 25 -29.001 -4.957 -0.345 1.00 14.44 C ATOM 424 O ALA A 25 -28.107 -4.753 0.476 1.00 23.42 O ATOM 425 CB ALA A 25 -28.783 -3.426 -2.310 1.00 42.44 C ATOM 0 HA ALA A 25 -27.720 -5.259 -2.019 1.00 43.25 H new ATOM 0 HB1 ALA A 25 -28.075 -2.828 -1.736 1.00 42.44 H new ATOM 0 HB2 ALA A 25 -28.526 -3.376 -3.368 1.00 42.44 H new ATOM 0 HB3 ALA A 25 -29.790 -3.037 -2.162 1.00 42.44 H new ATOM 431 N VAL A 26 -30.248 -5.257 0.004 1.00 33.24 N ATOM 432 CA VAL A 26 -30.645 -5.369 1.403 1.00 62.20 C ATOM 433 C VAL A 26 -29.716 -6.309 2.164 1.00 52.21 C ATOM 434 O VAL A 26 -29.261 -5.993 3.263 1.00 51.33 O ATOM 435 CB VAL A 26 -32.093 -5.877 1.537 1.00 41.41 C ATOM 436 CG1 VAL A 26 -32.490 -5.978 3.002 1.00 51.23 C ATOM 437 CG2 VAL A 26 -33.048 -4.967 0.779 1.00 60.23 C ATOM 0 H VAL A 26 -31.001 -5.427 -0.663 1.00 33.24 H new ATOM 0 HA VAL A 26 -30.578 -4.369 1.832 1.00 62.20 H new ATOM 0 HB VAL A 26 -32.152 -6.874 1.100 1.00 41.41 H new ATOM 0 HG11 VAL A 26 -33.516 -6.338 3.077 1.00 51.23 H new ATOM 0 HG12 VAL A 26 -31.823 -6.673 3.513 1.00 51.23 H new ATOM 0 HG13 VAL A 26 -32.416 -4.995 3.468 1.00 51.23 H new ATOM 0 HG21 VAL A 26 -34.067 -5.340 0.884 1.00 60.23 H new ATOM 0 HG22 VAL A 26 -32.988 -3.957 1.185 1.00 60.23 H new ATOM 0 HG23 VAL A 26 -32.775 -4.951 -0.276 1.00 60.23 H new ATOM 447 N ALA A 27 -29.439 -7.466 1.571 1.00 2.44 N ATOM 448 CA ALA A 27 -28.562 -8.451 2.192 1.00 11.11 C ATOM 449 C ALA A 27 -27.127 -7.939 2.267 1.00 75.41 C ATOM 450 O ALA A 27 -26.513 -7.938 3.334 1.00 51.33 O ATOM 451 CB ALA A 27 -28.617 -9.764 1.425 1.00 11.22 C ATOM 0 H ALA A 27 -29.809 -7.744 0.662 1.00 2.44 H new ATOM 0 HA ALA A 27 -28.912 -8.623 3.210 1.00 11.11 H new ATOM 0 HB1 ALA A 27 -27.957 -10.491 1.900 1.00 11.22 H new ATOM 0 HB2 ALA A 27 -29.638 -10.145 1.428 1.00 11.22 H new ATOM 0 HB3 ALA A 27 -28.295 -9.599 0.397 1.00 11.22 H new ATOM 457 N VAL A 28 -26.598 -7.506 1.127 1.00 73.41 N ATOM 458 CA VAL A 28 -25.236 -6.992 1.063 1.00 5.15 C ATOM 459 C VAL A 28 -25.022 -5.876 2.080 1.00 44.34 C ATOM 460 O VAL A 28 -23.970 -5.792 2.714 1.00 61.00 O ATOM 461 CB VAL A 28 -24.901 -6.462 -0.343 1.00 43.33 C ATOM 462 CG1 VAL A 28 -23.486 -5.903 -0.381 1.00 73.40 C ATOM 463 CG2 VAL A 28 -25.077 -7.559 -1.382 1.00 34.12 C ATOM 0 H VAL A 28 -27.093 -7.501 0.235 1.00 73.41 H new ATOM 0 HA VAL A 28 -24.572 -7.825 1.296 1.00 5.15 H new ATOM 0 HB VAL A 28 -25.592 -5.653 -0.581 1.00 43.33 H new ATOM 0 HG11 VAL A 28 -23.268 -5.533 -1.383 1.00 73.40 H new ATOM 0 HG12 VAL A 28 -23.398 -5.085 0.335 1.00 73.40 H new ATOM 0 HG13 VAL A 28 -22.777 -6.689 -0.122 1.00 73.40 H new ATOM 0 HG21 VAL A 28 -24.836 -7.167 -2.370 1.00 34.12 H new ATOM 0 HG22 VAL A 28 -24.412 -8.390 -1.150 1.00 34.12 H new ATOM 0 HG23 VAL A 28 -26.110 -7.907 -1.372 1.00 34.12 H new ATOM 473 N VAL A 29 -26.027 -5.019 2.230 1.00 41.02 N ATOM 474 CA VAL A 29 -25.950 -3.908 3.171 1.00 51.35 C ATOM 475 C VAL A 29 -26.131 -4.389 4.606 1.00 53.13 C ATOM 476 O VAL A 29 -25.279 -4.156 5.462 1.00 14.30 O ATOM 477 CB VAL A 29 -27.013 -2.837 2.862 1.00 51.42 C ATOM 478 CG1 VAL A 29 -26.931 -1.698 3.867 1.00 52.44 C ATOM 479 CG2 VAL A 29 -26.849 -2.318 1.441 1.00 13.01 C ATOM 0 H VAL A 29 -26.904 -5.073 1.712 1.00 41.02 H new ATOM 0 HA VAL A 29 -24.959 -3.468 3.061 1.00 51.35 H new ATOM 0 HB VAL A 29 -27.999 -3.294 2.946 1.00 51.42 H new ATOM 0 HG11 VAL A 29 -27.689 -0.951 3.633 1.00 52.44 H new ATOM 0 HG12 VAL A 29 -27.102 -2.086 4.871 1.00 52.44 H new ATOM 0 HG13 VAL A 29 -25.943 -1.240 3.818 1.00 52.44 H new ATOM 0 HG21 VAL A 29 -27.608 -1.562 1.240 1.00 13.01 H new ATOM 0 HG22 VAL A 29 -25.859 -1.877 1.327 1.00 13.01 H new ATOM 0 HG23 VAL A 29 -26.962 -3.143 0.737 1.00 13.01 H new ATOM 489 N GLY A 30 -27.248 -5.063 4.862 1.00 74.34 N ATOM 490 CA GLY A 30 -27.522 -5.568 6.195 1.00 45.34 C ATOM 491 C GLY A 30 -26.388 -6.414 6.738 1.00 64.32 C ATOM 492 O GLY A 30 -25.906 -6.180 7.846 1.00 34.30 O ATOM 0 H GLY A 30 -27.968 -5.268 4.170 1.00 74.34 H new ATOM 0 HA2 GLY A 30 -27.701 -4.730 6.868 1.00 45.34 H new ATOM 0 HA3 GLY A 30 -28.436 -6.161 6.175 1.00 45.34 H new ATOM 496 N GLN A 31 -25.961 -7.401 5.956 1.00 33.45 N ATOM 497 CA GLN A 31 -24.878 -8.287 6.368 1.00 53.05 C ATOM 498 C GLN A 31 -23.646 -7.487 6.776 1.00 41.32 C ATOM 499 O GLN A 31 -23.237 -7.508 7.936 1.00 4.31 O ATOM 500 CB GLN A 31 -24.522 -9.252 5.235 1.00 14.21 C ATOM 501 CG GLN A 31 -23.270 -10.070 5.504 1.00 44.21 C ATOM 502 CD GLN A 31 -23.373 -11.487 4.975 1.00 51.43 C ATOM 503 OE1 GLN A 31 -23.158 -11.736 3.788 1.00 2.22 O ATOM 504 NE2 GLN A 31 -23.704 -12.425 5.854 1.00 10.34 N ATOM 0 H GLN A 31 -26.348 -7.607 5.035 1.00 33.45 H new ATOM 0 HA GLN A 31 -25.219 -8.860 7.231 1.00 53.05 H new ATOM 0 HB2 GLN A 31 -25.360 -9.929 5.069 1.00 14.21 H new ATOM 0 HB3 GLN A 31 -24.384 -8.684 4.315 1.00 14.21 H new ATOM 0 HG2 GLN A 31 -22.413 -9.577 5.046 1.00 44.21 H new ATOM 0 HG3 GLN A 31 -23.084 -10.100 6.578 1.00 44.21 H new ATOM 0 HE21 GLN A 31 -23.873 -12.174 6.828 1.00 10.34 H new ATOM 0 HE22 GLN A 31 -23.789 -13.397 5.555 1.00 10.34 H new ATOM 513 N ALA A 32 -23.059 -6.782 5.814 1.00 65.30 N ATOM 514 CA ALA A 32 -21.874 -5.974 6.074 1.00 42.11 C ATOM 515 C ALA A 32 -22.096 -5.040 7.259 1.00 25.31 C ATOM 516 O ALA A 32 -21.302 -5.017 8.200 1.00 75.12 O ATOM 517 CB ALA A 32 -21.497 -5.176 4.834 1.00 21.14 C ATOM 0 H ALA A 32 -23.385 -6.754 4.848 1.00 65.30 H new ATOM 0 HA ALA A 32 -21.053 -6.646 6.323 1.00 42.11 H new ATOM 0 HB1 ALA A 32 -20.610 -4.577 5.042 1.00 21.14 H new ATOM 0 HB2 ALA A 32 -21.288 -5.860 4.011 1.00 21.14 H new ATOM 0 HB3 ALA A 32 -22.322 -4.519 4.559 1.00 21.14 H new ATOM 523 N ALA A 33 -23.178 -4.272 7.206 1.00 13.54 N ATOM 524 CA ALA A 33 -23.504 -3.337 8.276 1.00 35.14 C ATOM 525 C ALA A 33 -23.507 -4.034 9.633 1.00 64.44 C ATOM 526 O ALA A 33 -22.938 -3.531 10.603 1.00 73.35 O ATOM 527 CB ALA A 33 -24.854 -2.685 8.014 1.00 2.42 C ATOM 0 H ALA A 33 -23.844 -4.278 6.434 1.00 13.54 H new ATOM 0 HA ALA A 33 -22.736 -2.564 8.295 1.00 35.14 H new ATOM 0 HB1 ALA A 33 -25.085 -1.989 8.821 1.00 2.42 H new ATOM 0 HB2 ALA A 33 -24.820 -2.145 7.068 1.00 2.42 H new ATOM 0 HB3 ALA A 33 -25.626 -3.453 7.965 1.00 2.42 H new ATOM 533 N THR A 34 -24.150 -5.196 9.695 1.00 71.13 N ATOM 534 CA THR A 34 -24.228 -5.962 10.932 1.00 2.54 C ATOM 535 C THR A 34 -22.857 -6.492 11.337 1.00 35.55 C ATOM 536 O THR A 34 -22.503 -6.491 12.517 1.00 55.34 O ATOM 537 CB THR A 34 -25.206 -7.144 10.801 1.00 23.40 C ATOM 538 OG1 THR A 34 -26.515 -6.664 10.478 1.00 53.33 O ATOM 539 CG2 THR A 34 -25.259 -7.948 12.091 1.00 33.15 C ATOM 0 H THR A 34 -24.625 -5.627 8.902 1.00 71.13 H new ATOM 0 HA THR A 34 -24.594 -5.283 11.702 1.00 2.54 H new ATOM 0 HB THR A 34 -24.851 -7.793 10.001 1.00 23.40 H new ATOM 0 HG1 THR A 34 -26.551 -6.427 9.528 1.00 53.33 H new ATOM 0 HG21 THR A 34 -25.956 -8.778 11.974 1.00 33.15 H new ATOM 0 HG22 THR A 34 -24.267 -8.337 12.318 1.00 33.15 H new ATOM 0 HG23 THR A 34 -25.592 -7.306 12.906 1.00 33.15 H new ATOM 547 N VAL A 35 -22.089 -6.946 10.352 1.00 21.34 N ATOM 548 CA VAL A 35 -20.756 -7.479 10.606 1.00 4.14 C ATOM 549 C VAL A 35 -19.820 -6.393 11.126 1.00 62.14 C ATOM 550 O VAL A 35 -19.002 -6.635 12.014 1.00 72.45 O ATOM 551 CB VAL A 35 -20.148 -8.100 9.335 1.00 62.21 C ATOM 552 CG1 VAL A 35 -18.747 -8.624 9.613 1.00 1.52 C ATOM 553 CG2 VAL A 35 -21.044 -9.208 8.803 1.00 20.41 C ATOM 0 H VAL A 35 -22.367 -6.955 9.371 1.00 21.34 H new ATOM 0 HA VAL A 35 -20.864 -8.255 11.364 1.00 4.14 H new ATOM 0 HB VAL A 35 -20.075 -7.325 8.572 1.00 62.21 H new ATOM 0 HG11 VAL A 35 -18.334 -9.059 8.703 1.00 1.52 H new ATOM 0 HG12 VAL A 35 -18.111 -7.803 9.944 1.00 1.52 H new ATOM 0 HG13 VAL A 35 -18.791 -9.386 10.392 1.00 1.52 H new ATOM 0 HG21 VAL A 35 -20.599 -9.636 7.905 1.00 20.41 H new ATOM 0 HG22 VAL A 35 -21.151 -9.985 9.560 1.00 20.41 H new ATOM 0 HG23 VAL A 35 -22.025 -8.799 8.562 1.00 20.41 H new ATOM 563 N VAL A 36 -19.946 -5.194 10.566 1.00 44.10 N ATOM 564 CA VAL A 36 -19.112 -4.069 10.973 1.00 12.03 C ATOM 565 C VAL A 36 -19.594 -3.478 12.294 1.00 64.14 C ATOM 566 O VAL A 36 -18.795 -3.180 13.182 1.00 64.43 O ATOM 567 CB VAL A 36 -19.101 -2.962 9.902 1.00 24.31 C ATOM 568 CG1 VAL A 36 -18.231 -1.797 10.348 1.00 41.32 C ATOM 569 CG2 VAL A 36 -18.621 -3.517 8.569 1.00 12.31 C ATOM 0 H VAL A 36 -20.617 -4.977 9.829 1.00 44.10 H new ATOM 0 HA VAL A 36 -18.100 -4.454 11.098 1.00 12.03 H new ATOM 0 HB VAL A 36 -20.119 -2.595 9.772 1.00 24.31 H new ATOM 0 HG11 VAL A 36 -18.235 -1.025 9.579 1.00 41.32 H new ATOM 0 HG12 VAL A 36 -18.623 -1.385 11.278 1.00 41.32 H new ATOM 0 HG13 VAL A 36 -17.210 -2.145 10.507 1.00 41.32 H new ATOM 0 HG21 VAL A 36 -18.619 -2.722 7.823 1.00 12.31 H new ATOM 0 HG22 VAL A 36 -17.611 -3.911 8.682 1.00 12.31 H new ATOM 0 HG23 VAL A 36 -19.288 -4.316 8.246 1.00 12.31 H new ATOM 579 N LYS A 37 -20.906 -3.311 12.417 1.00 40.21 N ATOM 580 CA LYS A 37 -21.497 -2.757 13.630 1.00 64.04 C ATOM 581 C LYS A 37 -21.309 -3.706 14.809 1.00 63.22 C ATOM 582 O LYS A 37 -20.593 -3.395 15.761 1.00 13.52 O ATOM 583 CB LYS A 37 -22.987 -2.481 13.416 1.00 45.03 C ATOM 584 CG LYS A 37 -23.623 -1.678 14.537 1.00 74.02 C ATOM 585 CD LYS A 37 -24.239 -0.389 14.019 1.00 3.32 C ATOM 586 CE LYS A 37 -25.406 -0.664 13.084 1.00 32.31 C ATOM 587 NZ LYS A 37 -26.061 0.593 12.629 1.00 13.32 N ATOM 0 H LYS A 37 -21.581 -3.551 11.691 1.00 40.21 H new ATOM 0 HA LYS A 37 -20.989 -1.819 13.856 1.00 64.04 H new ATOM 0 HB2 LYS A 37 -23.117 -1.944 12.476 1.00 45.03 H new ATOM 0 HB3 LYS A 37 -23.513 -3.430 13.316 1.00 45.03 H new ATOM 0 HG2 LYS A 37 -24.390 -2.278 15.026 1.00 74.02 H new ATOM 0 HG3 LYS A 37 -22.871 -1.446 15.291 1.00 74.02 H new ATOM 0 HD2 LYS A 37 -24.580 0.216 14.859 1.00 3.32 H new ATOM 0 HD3 LYS A 37 -23.481 0.193 13.495 1.00 3.32 H new ATOM 0 HE2 LYS A 37 -25.053 -1.224 12.218 1.00 32.31 H new ATOM 0 HE3 LYS A 37 -26.138 -1.292 13.592 1.00 32.31 H new ATOM 0 HZ1 LYS A 37 -26.851 0.362 11.994 1.00 13.32 H new ATOM 0 HZ2 LYS A 37 -26.421 1.115 13.453 1.00 13.32 H new ATOM 0 HZ3 LYS A 37 -25.369 1.181 12.122 1.00 13.32 H new