USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 166 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 ARG N :NH3+ 131:sc= 0.031 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.485 K(o=-0.49,f=-1) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -0.093 -2.393 0.742 1.00 3.42 N ATOM 2 CA ARG A 1 0.733 -1.333 0.176 1.00 51.20 C ATOM 3 C ARG A 1 1.217 -1.709 -1.221 1.00 44.22 C ATOM 4 O ARG A 1 1.485 -2.876 -1.503 1.00 42.03 O ATOM 5 CB ARG A 1 1.931 -1.050 1.084 1.00 21.31 C ATOM 6 CG ARG A 1 1.619 -0.096 2.225 1.00 31.23 C ATOM 7 CD ARG A 1 1.336 1.308 1.716 1.00 55.23 C ATOM 8 NE ARG A 1 1.322 2.290 2.796 1.00 0.34 N ATOM 9 CZ ARG A 1 1.064 3.580 2.614 1.00 54.51 C ATOM 10 NH1 ARG A 1 0.798 4.041 1.399 1.00 1.44 N ATOM 11 NH2 ARG A 1 1.070 4.412 3.648 1.00 51.44 N ATOM 0 H1 ARG A 1 0.234 -2.611 1.705 1.00 3.42 H new ATOM 0 H2 ARG A 1 -1.084 -2.080 0.775 1.00 3.42 H new ATOM 0 H3 ARG A 1 -0.018 -3.245 0.150 1.00 3.42 H new ATOM 0 HA ARG A 1 0.123 -0.433 0.101 1.00 51.20 H new ATOM 0 HB2 ARG A 1 2.293 -1.991 1.498 1.00 21.31 H new ATOM 0 HB3 ARG A 1 2.740 -0.633 0.484 1.00 21.31 H new ATOM 0 HG2 ARG A 1 0.757 -0.463 2.782 1.00 31.23 H new ATOM 0 HG3 ARG A 1 2.459 -0.070 2.919 1.00 31.23 H new ATOM 0 HD2 ARG A 1 2.093 1.587 0.983 1.00 55.23 H new ATOM 0 HD3 ARG A 1 0.375 1.320 1.203 1.00 55.23 H new ATOM 0 HE ARG A 1 1.521 1.968 3.743 1.00 0.34 H new ATOM 0 HH11 ARG A 1 0.791 3.404 0.602 1.00 1.44 H new ATOM 0 HH12 ARG A 1 0.600 5.032 1.262 1.00 1.44 H new ATOM 0 HH21 ARG A 1 1.273 4.061 4.584 1.00 51.44 H new ATOM 0 HH22 ARG A 1 0.872 5.403 3.507 1.00 51.44 H new ATOM 25 N GLY A 2 1.327 -0.711 -2.093 1.00 10.42 N ATOM 26 CA GLY A 2 1.778 -0.957 -3.450 1.00 2.01 C ATOM 27 C GLY A 2 1.867 0.314 -4.271 1.00 4.10 C ATOM 28 O GLY A 2 1.798 1.418 -3.729 1.00 53.24 O ATOM 0 H GLY A 2 1.112 0.264 -1.883 1.00 10.42 H new ATOM 0 HA2 GLY A 2 2.756 -1.438 -3.423 1.00 2.01 H new ATOM 0 HA3 GLY A 2 1.094 -1.653 -3.936 1.00 2.01 H new ATOM 32 N LEU A 3 2.024 0.160 -5.581 1.00 55.22 N ATOM 33 CA LEU A 3 2.124 1.305 -6.479 1.00 42.44 C ATOM 34 C LEU A 3 0.844 1.475 -7.291 1.00 62.35 C ATOM 35 O LEU A 3 0.639 0.792 -8.295 1.00 20.51 O ATOM 36 CB LEU A 3 3.320 1.138 -7.419 1.00 75.11 C ATOM 37 CG LEU A 3 4.658 0.817 -6.752 1.00 52.43 C ATOM 38 CD1 LEU A 3 5.704 0.465 -7.798 1.00 22.40 C ATOM 39 CD2 LEU A 3 5.125 1.990 -5.902 1.00 54.25 C ATOM 0 H LEU A 3 2.085 -0.746 -6.045 1.00 55.22 H new ATOM 0 HA LEU A 3 2.268 2.199 -5.872 1.00 42.44 H new ATOM 0 HB2 LEU A 3 3.091 0.343 -8.129 1.00 75.11 H new ATOM 0 HB3 LEU A 3 3.435 2.056 -7.995 1.00 75.11 H new ATOM 0 HG LEU A 3 4.520 -0.046 -6.100 1.00 52.43 H new ATOM 0 HD11 LEU A 3 6.650 0.240 -7.305 1.00 22.40 H new ATOM 0 HD12 LEU A 3 5.373 -0.406 -8.365 1.00 22.40 H new ATOM 0 HD13 LEU A 3 5.840 1.308 -8.475 1.00 22.40 H new ATOM 0 HD21 LEU A 3 6.079 1.744 -5.435 1.00 54.25 H new ATOM 0 HD22 LEU A 3 5.246 2.871 -6.533 1.00 54.25 H new ATOM 0 HD23 LEU A 3 4.385 2.197 -5.129 1.00 54.25 H new ATOM 51 N ARG A 4 -0.012 2.391 -6.852 1.00 35.31 N ATOM 52 CA ARG A 4 -1.272 2.651 -7.539 1.00 30.35 C ATOM 53 C ARG A 4 -1.290 4.058 -8.127 1.00 40.40 C ATOM 54 O ARG A 4 -1.773 4.271 -9.239 1.00 72.22 O ATOM 55 CB ARG A 4 -2.448 2.474 -6.576 1.00 70.42 C ATOM 56 CG ARG A 4 -2.386 3.388 -5.364 1.00 23.14 C ATOM 57 CD ARG A 4 -3.276 2.883 -4.239 1.00 11.10 C ATOM 58 NE ARG A 4 -4.220 3.903 -3.789 1.00 22.55 N ATOM 59 CZ ARG A 4 -5.342 4.202 -4.434 1.00 21.45 C ATOM 60 NH1 ARG A 4 -5.659 3.562 -5.551 1.00 2.11 N ATOM 61 NH2 ARG A 4 -6.150 5.142 -3.961 1.00 31.24 N ATOM 0 H ARG A 4 0.143 2.966 -6.024 1.00 35.31 H new ATOM 0 HA ARG A 4 -1.367 1.934 -8.354 1.00 30.35 H new ATOM 0 HB2 ARG A 4 -3.378 2.660 -7.114 1.00 70.42 H new ATOM 0 HB3 ARG A 4 -2.477 1.438 -6.238 1.00 70.42 H new ATOM 0 HG2 ARG A 4 -1.357 3.458 -5.012 1.00 23.14 H new ATOM 0 HG3 ARG A 4 -2.694 4.394 -5.649 1.00 23.14 H new ATOM 0 HD2 ARG A 4 -3.825 2.005 -4.578 1.00 11.10 H new ATOM 0 HD3 ARG A 4 -2.656 2.567 -3.400 1.00 11.10 H new ATOM 0 HE ARG A 4 -4.006 4.414 -2.932 1.00 22.55 H new ATOM 0 HH11 ARG A 4 -5.041 2.838 -5.917 1.00 2.11 H new ATOM 0 HH12 ARG A 4 -6.521 3.794 -6.044 1.00 2.11 H new ATOM 0 HH21 ARG A 4 -5.910 5.636 -3.101 1.00 31.24 H new ATOM 0 HH22 ARG A 4 -7.011 5.371 -4.457 1.00 31.24 H new ATOM 75 N ARG A 5 -0.761 5.016 -7.373 1.00 3.21 N ATOM 76 CA ARG A 5 -0.718 6.404 -7.819 1.00 24.41 C ATOM 77 C ARG A 5 0.629 7.040 -7.487 1.00 61.30 C ATOM 78 O ARG A 5 0.727 8.254 -7.308 1.00 12.50 O ATOM 79 CB ARG A 5 -1.847 7.206 -7.169 1.00 65.21 C ATOM 80 CG ARG A 5 -3.182 7.064 -7.881 1.00 0.30 C ATOM 81 CD ARG A 5 -4.015 5.941 -7.284 1.00 52.00 C ATOM 82 NE ARG A 5 -5.425 6.052 -7.649 1.00 61.43 N ATOM 83 CZ ARG A 5 -6.233 6.997 -7.183 1.00 0.02 C ATOM 84 NH1 ARG A 5 -5.773 7.909 -6.338 1.00 10.24 N ATOM 85 NH2 ARG A 5 -7.504 7.032 -7.562 1.00 71.31 N ATOM 0 H ARG A 5 -0.356 4.857 -6.450 1.00 3.21 H new ATOM 0 HA ARG A 5 -0.849 6.416 -8.901 1.00 24.41 H new ATOM 0 HB2 ARG A 5 -1.961 6.884 -6.134 1.00 65.21 H new ATOM 0 HB3 ARG A 5 -1.567 8.259 -7.146 1.00 65.21 H new ATOM 0 HG2 ARG A 5 -3.733 8.002 -7.814 1.00 0.30 H new ATOM 0 HG3 ARG A 5 -3.012 6.869 -8.940 1.00 0.30 H new ATOM 0 HD2 ARG A 5 -3.627 4.981 -7.625 1.00 52.00 H new ATOM 0 HD3 ARG A 5 -3.919 5.956 -6.198 1.00 52.00 H new ATOM 0 HE ARG A 5 -5.810 5.366 -8.298 1.00 61.43 H new ATOM 0 HH11 ARG A 5 -4.796 7.886 -6.044 1.00 10.24 H new ATOM 0 HH12 ARG A 5 -6.396 8.634 -5.981 1.00 10.24 H new ATOM 0 HH21 ARG A 5 -7.862 6.332 -8.212 1.00 71.31 H new ATOM 0 HH22 ARG A 5 -8.123 7.759 -7.203 1.00 71.31 H new ATOM 99 N LEU A 6 1.665 6.212 -7.406 1.00 33.40 N ATOM 100 CA LEU A 6 3.006 6.692 -7.095 1.00 44.51 C ATOM 101 C LEU A 6 3.774 7.028 -8.370 1.00 33.30 C ATOM 102 O LEU A 6 4.574 7.961 -8.398 1.00 3.45 O ATOM 103 CB LEU A 6 3.771 5.643 -6.287 1.00 22.30 C ATOM 104 CG LEU A 6 4.065 6.001 -4.830 1.00 23.32 C ATOM 105 CD1 LEU A 6 5.088 7.123 -4.752 1.00 3.31 C ATOM 106 CD2 LEU A 6 2.784 6.393 -4.108 1.00 24.21 C ATOM 0 H LEU A 6 1.601 5.204 -7.552 1.00 33.40 H new ATOM 0 HA LEU A 6 2.910 7.600 -6.500 1.00 44.51 H new ATOM 0 HB2 LEU A 6 3.201 4.714 -6.304 1.00 22.30 H new ATOM 0 HB3 LEU A 6 4.718 5.446 -6.790 1.00 22.30 H new ATOM 0 HG LEU A 6 4.482 5.123 -4.337 1.00 23.32 H new ATOM 0 HD11 LEU A 6 5.285 7.364 -3.707 1.00 3.31 H new ATOM 0 HD12 LEU A 6 6.014 6.805 -5.231 1.00 3.31 H new ATOM 0 HD13 LEU A 6 4.700 8.005 -5.261 1.00 3.31 H new ATOM 0 HD21 LEU A 6 3.012 6.645 -3.072 1.00 24.21 H new ATOM 0 HD22 LEU A 6 2.338 7.257 -4.601 1.00 24.21 H new ATOM 0 HD23 LEU A 6 2.083 5.559 -4.133 1.00 24.21 H new ATOM 118 N GLY A 7 3.522 6.260 -9.426 1.00 34.32 N ATOM 119 CA GLY A 7 4.195 6.492 -10.690 1.00 50.41 C ATOM 120 C GLY A 7 4.065 7.927 -11.161 1.00 14.31 C ATOM 121 O GLY A 7 5.018 8.506 -11.683 1.00 22.55 O ATOM 0 H GLY A 7 2.863 5.481 -9.428 1.00 34.32 H new ATOM 0 HA2 GLY A 7 5.251 6.241 -10.588 1.00 50.41 H new ATOM 0 HA3 GLY A 7 3.781 5.826 -11.446 1.00 50.41 H new ATOM 125 N ARG A 8 2.881 8.503 -10.978 1.00 52.14 N ATOM 126 CA ARG A 8 2.628 9.878 -11.391 1.00 44.41 C ATOM 127 C ARG A 8 3.226 10.864 -10.391 1.00 51.45 C ATOM 128 O ARG A 8 3.550 12.000 -10.740 1.00 71.24 O ATOM 129 CB ARG A 8 1.125 10.124 -11.529 1.00 52.14 C ATOM 130 CG ARG A 8 0.336 9.796 -10.272 1.00 51.23 C ATOM 131 CD ARG A 8 -0.913 10.656 -10.159 1.00 33.25 C ATOM 132 NE ARG A 8 -0.629 11.958 -9.562 1.00 51.20 N ATOM 133 CZ ARG A 8 -1.543 12.910 -9.405 1.00 24.31 C ATOM 134 NH1 ARG A 8 -2.792 12.705 -9.798 1.00 32.13 N ATOM 135 NH2 ARG A 8 -1.207 14.069 -8.853 1.00 62.14 N ATOM 0 H ARG A 8 2.082 8.039 -10.546 1.00 52.14 H new ATOM 0 HA ARG A 8 3.104 10.034 -12.359 1.00 44.41 H new ATOM 0 HB2 ARG A 8 0.959 11.169 -11.790 1.00 52.14 H new ATOM 0 HB3 ARG A 8 0.742 9.525 -12.355 1.00 52.14 H new ATOM 0 HG2 ARG A 8 0.055 8.743 -10.282 1.00 51.23 H new ATOM 0 HG3 ARG A 8 0.965 9.949 -9.395 1.00 51.23 H new ATOM 0 HD2 ARG A 8 -1.346 10.798 -11.149 1.00 33.25 H new ATOM 0 HD3 ARG A 8 -1.658 10.136 -9.557 1.00 33.25 H new ATOM 0 HE ARG A 8 0.323 12.147 -9.248 1.00 51.20 H new ATOM 0 HH11 ARG A 8 -3.054 11.815 -10.222 1.00 32.13 H new ATOM 0 HH12 ARG A 8 -3.492 13.437 -9.676 1.00 32.13 H new ATOM 0 HH21 ARG A 8 -0.247 14.230 -8.549 1.00 62.14 H new ATOM 0 HH22 ARG A 8 -1.909 14.799 -8.733 1.00 62.14 H new ATOM 149 N LYS A 9 3.369 10.423 -9.146 1.00 53.14 N ATOM 150 CA LYS A 9 3.928 11.265 -8.095 1.00 75.21 C ATOM 151 C LYS A 9 5.451 11.292 -8.172 1.00 33.22 C ATOM 152 O LYS A 9 6.090 12.222 -7.679 1.00 33.35 O ATOM 153 CB LYS A 9 3.484 10.760 -6.720 1.00 5.41 C ATOM 154 CG LYS A 9 4.192 11.446 -5.564 1.00 31.23 C ATOM 155 CD LYS A 9 3.478 11.195 -4.246 1.00 1.41 C ATOM 156 CE LYS A 9 2.272 12.108 -4.083 1.00 72.53 C ATOM 157 NZ LYS A 9 1.529 11.826 -2.824 1.00 23.14 N ATOM 0 H LYS A 9 3.105 9.486 -8.840 1.00 53.14 H new ATOM 0 HA LYS A 9 3.557 12.280 -8.240 1.00 75.21 H new ATOM 0 HB2 LYS A 9 2.409 10.909 -6.617 1.00 5.41 H new ATOM 0 HB3 LYS A 9 3.664 9.687 -6.660 1.00 5.41 H new ATOM 0 HG2 LYS A 9 5.218 11.084 -5.498 1.00 31.23 H new ATOM 0 HG3 LYS A 9 4.244 12.518 -5.753 1.00 31.23 H new ATOM 0 HD2 LYS A 9 3.157 10.154 -4.197 1.00 1.41 H new ATOM 0 HD3 LYS A 9 4.171 11.354 -3.420 1.00 1.41 H new ATOM 0 HE2 LYS A 9 2.600 13.147 -4.086 1.00 72.53 H new ATOM 0 HE3 LYS A 9 1.604 11.983 -4.935 1.00 72.53 H new ATOM 0 HZ1 LYS A 9 0.715 12.469 -2.750 1.00 23.14 H new ATOM 0 HZ2 LYS A 9 1.193 10.842 -2.832 1.00 23.14 H new ATOM 0 HZ3 LYS A 9 2.159 11.970 -2.009 1.00 23.14 H new ATOM 171 N ILE A 10 6.025 10.268 -8.794 1.00 5.11 N ATOM 172 CA ILE A 10 7.473 10.177 -8.937 1.00 22.00 C ATOM 173 C ILE A 10 7.900 10.425 -10.380 1.00 33.41 C ATOM 174 O ILE A 10 8.531 11.435 -10.686 1.00 51.55 O ATOM 175 CB ILE A 10 7.998 8.800 -8.487 1.00 52.55 C ATOM 176 CG1 ILE A 10 7.474 8.462 -7.090 1.00 4.50 C ATOM 177 CG2 ILE A 10 9.519 8.781 -8.508 1.00 71.34 C ATOM 178 CD1 ILE A 10 7.821 7.061 -6.637 1.00 45.53 C ATOM 0 H ILE A 10 5.510 9.490 -9.207 1.00 5.11 H new ATOM 0 HA ILE A 10 7.902 10.947 -8.296 1.00 22.00 H new ATOM 0 HB ILE A 10 7.635 8.044 -9.183 1.00 52.55 H new ATOM 0 HG12 ILE A 10 7.881 9.177 -6.375 1.00 4.50 H new ATOM 0 HG13 ILE A 10 6.391 8.581 -7.079 1.00 4.50 H new ATOM 0 HG21 ILE A 10 9.875 7.802 -8.188 1.00 71.34 H new ATOM 0 HG22 ILE A 10 9.871 8.982 -9.520 1.00 71.34 H new ATOM 0 HG23 ILE A 10 9.902 9.545 -7.832 1.00 71.34 H new ATOM 0 HD11 ILE A 10 7.418 6.891 -5.639 1.00 45.53 H new ATOM 0 HD12 ILE A 10 7.391 6.338 -7.330 1.00 45.53 H new ATOM 0 HD13 ILE A 10 8.904 6.943 -6.616 1.00 45.53 H new ATOM 190 N ALA A 11 7.549 9.495 -11.263 1.00 12.13 N ATOM 191 CA ALA A 11 7.892 9.614 -12.674 1.00 54.24 C ATOM 192 C ALA A 11 7.143 8.582 -13.510 1.00 60.51 C ATOM 193 O ALA A 11 7.277 7.377 -13.293 1.00 31.24 O ATOM 194 CB ALA A 11 9.393 9.464 -12.867 1.00 64.22 C ATOM 0 H ALA A 11 7.027 8.651 -11.025 1.00 12.13 H new ATOM 0 HA ALA A 11 7.591 10.605 -13.013 1.00 54.24 H new ATOM 0 HB1 ALA A 11 9.635 9.555 -13.926 1.00 64.22 H new ATOM 0 HB2 ALA A 11 9.911 10.243 -12.308 1.00 64.22 H new ATOM 0 HB3 ALA A 11 9.710 8.486 -12.505 1.00 64.22 H new ATOM 200 N HIS A 12 6.354 9.061 -14.467 1.00 31.53 N ATOM 201 CA HIS A 12 5.583 8.178 -15.335 1.00 64.14 C ATOM 202 C HIS A 12 6.479 7.113 -15.960 1.00 64.23 C ATOM 203 O HIS A 12 7.359 7.421 -16.763 1.00 63.41 O ATOM 204 CB HIS A 12 4.890 8.986 -16.433 1.00 22.21 C ATOM 205 CG HIS A 12 5.828 9.837 -17.233 1.00 33.11 C ATOM 206 ND1 HIS A 12 6.248 11.084 -16.822 1.00 41.22 N ATOM 207 CD2 HIS A 12 6.428 9.613 -18.425 1.00 61.22 C ATOM 208 CE1 HIS A 12 7.065 11.591 -17.728 1.00 1.40 C ATOM 209 NE2 HIS A 12 7.191 10.718 -18.711 1.00 4.03 N ATOM 0 H HIS A 12 6.232 10.055 -14.661 1.00 31.53 H new ATOM 0 HA HIS A 12 4.827 7.681 -14.727 1.00 64.14 H new ATOM 0 HB2 HIS A 12 4.372 8.301 -17.104 1.00 22.21 H new ATOM 0 HB3 HIS A 12 4.131 9.624 -15.980 1.00 22.21 H new ATOM 0 HD2 HIS A 12 6.326 8.729 -19.037 1.00 61.22 H new ATOM 0 HE1 HIS A 12 7.548 12.556 -17.674 1.00 1.40 H new ATOM 0 HE2 HIS A 12 7.762 10.844 -19.547 1.00 4.03 H new ATOM 217 N GLY A 13 6.249 5.858 -15.585 1.00 44.01 N ATOM 218 CA GLY A 13 7.044 4.767 -16.118 1.00 24.03 C ATOM 219 C GLY A 13 8.343 4.572 -15.360 1.00 52.11 C ATOM 220 O GLY A 13 9.338 4.120 -15.926 1.00 23.13 O ATOM 0 H GLY A 13 5.527 5.578 -14.922 1.00 44.01 H new ATOM 0 HA2 GLY A 13 6.463 3.846 -16.080 1.00 24.03 H new ATOM 0 HA3 GLY A 13 7.265 4.961 -17.168 1.00 24.03 H new ATOM 224 N VAL A 14 8.334 4.915 -14.076 1.00 2.51 N ATOM 225 CA VAL A 14 9.520 4.776 -13.239 1.00 42.54 C ATOM 226 C VAL A 14 9.496 3.463 -12.465 1.00 51.33 C ATOM 227 O VAL A 14 10.045 3.366 -11.367 1.00 54.44 O ATOM 228 CB VAL A 14 9.645 5.945 -12.243 1.00 74.34 C ATOM 229 CG1 VAL A 14 8.599 5.824 -11.145 1.00 25.41 C ATOM 230 CG2 VAL A 14 11.046 5.995 -11.654 1.00 62.20 C ATOM 0 H VAL A 14 7.518 5.291 -13.593 1.00 2.51 H new ATOM 0 HA VAL A 14 10.381 4.784 -13.907 1.00 42.54 H new ATOM 0 HB VAL A 14 9.468 6.878 -12.779 1.00 74.34 H new ATOM 0 HG11 VAL A 14 8.702 6.658 -10.451 1.00 25.41 H new ATOM 0 HG12 VAL A 14 7.603 5.841 -11.588 1.00 25.41 H new ATOM 0 HG13 VAL A 14 8.741 4.886 -10.609 1.00 25.41 H new ATOM 0 HG21 VAL A 14 11.116 6.827 -10.953 1.00 62.20 H new ATOM 0 HG22 VAL A 14 11.255 5.061 -11.132 1.00 62.20 H new ATOM 0 HG23 VAL A 14 11.773 6.133 -12.455 1.00 62.20 H new ATOM 240 N LYS A 15 8.856 2.453 -13.045 1.00 1.23 N ATOM 241 CA LYS A 15 8.761 1.143 -12.411 1.00 54.33 C ATOM 242 C LYS A 15 10.136 0.648 -11.976 1.00 61.22 C ATOM 243 O LYS A 15 10.260 -0.099 -11.005 1.00 60.02 O ATOM 244 CB LYS A 15 8.124 0.135 -13.371 1.00 14.44 C ATOM 245 CG LYS A 15 8.878 -0.019 -14.680 1.00 0.12 C ATOM 246 CD LYS A 15 8.238 -1.070 -15.572 1.00 4.15 C ATOM 247 CE LYS A 15 9.267 -1.738 -16.471 1.00 72.40 C ATOM 248 NZ LYS A 15 9.611 -0.890 -17.645 1.00 44.04 N ATOM 0 H LYS A 15 8.395 2.516 -13.953 1.00 1.23 H new ATOM 0 HA LYS A 15 8.133 1.240 -11.525 1.00 54.33 H new ATOM 0 HB2 LYS A 15 8.066 -0.836 -12.879 1.00 14.44 H new ATOM 0 HB3 LYS A 15 7.101 0.446 -13.585 1.00 14.44 H new ATOM 0 HG2 LYS A 15 8.901 0.937 -15.202 1.00 0.12 H new ATOM 0 HG3 LYS A 15 9.912 -0.295 -14.475 1.00 0.12 H new ATOM 0 HD2 LYS A 15 7.748 -1.823 -14.955 1.00 4.15 H new ATOM 0 HD3 LYS A 15 7.464 -0.607 -16.184 1.00 4.15 H new ATOM 0 HE2 LYS A 15 10.170 -1.947 -15.897 1.00 72.40 H new ATOM 0 HE3 LYS A 15 8.880 -2.697 -16.816 1.00 72.40 H new ATOM 0 HZ1 LYS A 15 10.315 -1.380 -18.233 1.00 44.04 H new ATOM 0 HZ2 LYS A 15 8.754 -0.711 -18.207 1.00 44.04 H new ATOM 0 HZ3 LYS A 15 10.004 0.015 -17.316 1.00 44.04 H new ATOM 262 N LYS A 16 11.168 1.069 -12.700 1.00 12.12 N ATOM 263 CA LYS A 16 12.535 0.671 -12.388 1.00 23.14 C ATOM 264 C LYS A 16 13.074 1.461 -11.200 1.00 3.35 C ATOM 265 O LYS A 16 12.328 2.168 -10.522 1.00 32.35 O ATOM 266 CB LYS A 16 13.439 0.879 -13.605 1.00 4.14 C ATOM 267 CG LYS A 16 12.844 0.358 -14.901 1.00 31.30 C ATOM 268 CD LYS A 16 13.925 -0.093 -15.869 1.00 74.24 C ATOM 269 CE LYS A 16 14.263 -1.564 -15.681 1.00 4.10 C ATOM 270 NZ LYS A 16 13.484 -2.435 -16.604 1.00 24.22 N ATOM 0 H LYS A 16 11.083 1.686 -13.508 1.00 12.12 H new ATOM 0 HA LYS A 16 12.528 -0.387 -12.125 1.00 23.14 H new ATOM 0 HB2 LYS A 16 13.649 1.943 -13.713 1.00 4.14 H new ATOM 0 HB3 LYS A 16 14.393 0.382 -13.428 1.00 4.14 H new ATOM 0 HG2 LYS A 16 12.176 -0.476 -14.686 1.00 31.30 H new ATOM 0 HG3 LYS A 16 12.241 1.138 -15.365 1.00 31.30 H new ATOM 0 HD2 LYS A 16 13.592 0.077 -16.893 1.00 74.24 H new ATOM 0 HD3 LYS A 16 14.821 0.509 -15.721 1.00 74.24 H new ATOM 0 HE2 LYS A 16 15.329 -1.716 -15.851 1.00 4.10 H new ATOM 0 HE3 LYS A 16 14.060 -1.854 -14.650 1.00 4.10 H new ATOM 0 HZ1 LYS A 16 13.743 -3.429 -16.444 1.00 24.22 H new ATOM 0 HZ2 LYS A 16 12.467 -2.309 -16.425 1.00 24.22 H new ATOM 0 HZ3 LYS A 16 13.697 -2.176 -17.588 1.00 24.22 H new ATOM 284 N TYR A 17 14.374 1.339 -10.954 1.00 31.50 N ATOM 285 CA TYR A 17 15.012 2.041 -9.847 1.00 63.11 C ATOM 286 C TYR A 17 15.682 3.324 -10.330 1.00 23.31 C ATOM 287 O TYR A 17 16.604 3.833 -9.694 1.00 42.33 O ATOM 288 CB TYR A 17 16.044 1.137 -9.169 1.00 51.44 C ATOM 289 CG TYR A 17 17.305 0.944 -9.981 1.00 31.52 C ATOM 290 CD1 TYR A 17 17.328 0.081 -11.070 1.00 33.11 C ATOM 291 CD2 TYR A 17 18.474 1.622 -9.658 1.00 34.21 C ATOM 292 CE1 TYR A 17 18.478 -0.100 -11.814 1.00 33.01 C ATOM 293 CE2 TYR A 17 19.628 1.448 -10.397 1.00 13.10 C ATOM 294 CZ TYR A 17 19.625 0.586 -11.474 1.00 12.12 C ATOM 295 OH TYR A 17 20.773 0.409 -12.212 1.00 12.34 O ATOM 0 H TYR A 17 15.006 0.760 -11.507 1.00 31.50 H new ATOM 0 HA TYR A 17 14.240 2.305 -9.124 1.00 63.11 H new ATOM 0 HB2 TYR A 17 16.307 1.562 -8.200 1.00 51.44 H new ATOM 0 HB3 TYR A 17 15.592 0.164 -8.978 1.00 51.44 H new ATOM 0 HD1 TYR A 17 16.431 -0.457 -11.339 1.00 33.11 H new ATOM 0 HD2 TYR A 17 18.481 2.297 -8.815 1.00 34.21 H new ATOM 0 HE1 TYR A 17 18.479 -0.775 -12.657 1.00 33.01 H new ATOM 0 HE2 TYR A 17 20.528 1.984 -10.133 1.00 13.10 H new ATOM 0 HH TYR A 17 21.489 0.966 -11.841 1.00 12.34 H new ATOM 305 N GLY A 18 15.210 3.841 -11.460 1.00 41.21 N ATOM 306 CA GLY A 18 15.774 5.060 -12.010 1.00 54.30 C ATOM 307 C GLY A 18 15.472 6.275 -11.155 1.00 44.33 C ATOM 308 O GLY A 18 14.342 6.461 -10.704 1.00 61.55 O ATOM 0 H GLY A 18 14.447 3.438 -12.004 1.00 41.21 H new ATOM 0 HA2 GLY A 18 16.854 4.946 -12.106 1.00 54.30 H new ATOM 0 HA3 GLY A 18 15.380 5.219 -13.014 1.00 54.30 H new TER 312 GLY A 18