USER MOD reduce.3.24.130724 H: found=0, std=0, add=198, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 200 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 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 8 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc=-0.00101 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N ILE A 2 2.841 -0.239 -1.482 1.00 31.01 N ATOM 9 CA ILE A 2 4.154 0.097 -0.947 1.00 25.32 C ATOM 10 C ILE A 2 5.177 0.267 -2.065 1.00 72.44 C ATOM 11 O ILE A 2 6.164 0.985 -1.914 1.00 62.44 O ATOM 12 CB ILE A 2 4.656 -0.981 0.032 1.00 32.33 C ATOM 13 CG1 ILE A 2 3.601 -1.256 1.106 1.00 22.21 C ATOM 14 CG2 ILE A 2 5.968 -0.549 0.669 1.00 21.23 C ATOM 15 CD1 ILE A 2 4.023 -2.304 2.113 1.00 54.32 C ATOM 0 HA ILE A 2 4.044 1.040 -0.412 1.00 25.32 H new ATOM 0 HB ILE A 2 4.831 -1.902 -0.524 1.00 32.33 H new ATOM 0 HG12 ILE A 2 3.379 -0.327 1.632 1.00 22.21 H new ATOM 0 HG13 ILE A 2 2.678 -1.578 0.623 1.00 22.21 H new ATOM 0 HG21 ILE A 2 6.310 -1.321 1.358 1.00 21.23 H new ATOM 0 HG22 ILE A 2 6.718 -0.399 -0.108 1.00 21.23 H new ATOM 0 HG23 ILE A 2 5.818 0.383 1.214 1.00 21.23 H new ATOM 0 HD11 ILE A 2 3.227 -2.448 2.844 1.00 54.32 H new ATOM 0 HD12 ILE A 2 4.218 -3.245 1.599 1.00 54.32 H new ATOM 0 HD13 ILE A 2 4.929 -1.975 2.623 1.00 54.32 H new ATOM 27 N GLY A 3 4.931 -0.399 -3.190 1.00 44.22 N ATOM 28 CA GLY A 3 5.838 -0.307 -4.319 1.00 45.03 C ATOM 29 C GLY A 3 6.050 1.122 -4.778 1.00 41.13 C ATOM 30 O GLY A 3 7.014 1.419 -5.485 1.00 14.31 O ATOM 0 H GLY A 3 4.120 -1.000 -3.339 1.00 44.22 H new ATOM 0 HA2 GLY A 3 6.799 -0.744 -4.046 1.00 45.03 H new ATOM 0 HA3 GLY A 3 5.444 -0.896 -5.147 1.00 45.03 H new ATOM 34 N LYS A 4 5.147 2.010 -4.378 1.00 13.31 N ATOM 35 CA LYS A 4 5.237 3.417 -4.752 1.00 64.43 C ATOM 36 C LYS A 4 6.203 4.162 -3.837 1.00 1.23 C ATOM 37 O LYS A 4 6.902 5.078 -4.270 1.00 61.40 O ATOM 38 CB LYS A 4 3.855 4.071 -4.695 1.00 3.12 C ATOM 39 CG LYS A 4 3.391 4.389 -3.284 1.00 31.30 C ATOM 40 CD LYS A 4 1.875 4.388 -3.182 1.00 72.24 C ATOM 41 CE LYS A 4 1.260 5.502 -4.016 1.00 33.41 C ATOM 42 NZ LYS A 4 -0.151 5.774 -3.623 1.00 63.24 N ATOM 0 H LYS A 4 4.343 1.780 -3.794 1.00 13.31 H new ATOM 0 HA LYS A 4 5.616 3.473 -5.773 1.00 64.43 H new ATOM 0 HB2 LYS A 4 3.873 4.991 -5.279 1.00 3.12 H new ATOM 0 HB3 LYS A 4 3.129 3.409 -5.167 1.00 3.12 H new ATOM 0 HG2 LYS A 4 3.804 3.656 -2.591 1.00 31.30 H new ATOM 0 HG3 LYS A 4 3.776 5.364 -2.984 1.00 31.30 H new ATOM 0 HD2 LYS A 4 1.487 3.426 -3.516 1.00 72.24 H new ATOM 0 HD3 LYS A 4 1.579 4.507 -2.140 1.00 72.24 H new ATOM 0 HE2 LYS A 4 1.851 6.411 -3.901 1.00 33.41 H new ATOM 0 HE3 LYS A 4 1.297 5.229 -5.071 1.00 33.41 H new ATOM 0 HZ1 LYS A 4 -0.535 6.539 -4.214 1.00 63.24 H new ATOM 0 HZ2 LYS A 4 -0.721 4.914 -3.757 1.00 63.24 H new ATOM 0 HZ3 LYS A 4 -0.184 6.059 -2.623 1.00 63.24 H new ATOM 56 N ALA A 5 6.237 3.763 -2.570 1.00 2.15 N ATOM 57 CA ALA A 5 7.120 4.391 -1.594 1.00 52.44 C ATOM 58 C ALA A 5 8.538 3.842 -1.703 1.00 61.14 C ATOM 59 O ALA A 5 9.513 4.589 -1.612 1.00 22.14 O ATOM 60 CB ALA A 5 6.580 4.189 -0.186 1.00 60.33 C ATOM 0 H ALA A 5 5.663 3.008 -2.195 1.00 2.15 H new ATOM 0 HA ALA A 5 7.155 5.459 -1.808 1.00 52.44 H new ATOM 0 HB1 ALA A 5 7.249 4.663 0.532 1.00 60.33 H new ATOM 0 HB2 ALA A 5 5.589 4.637 -0.109 1.00 60.33 H new ATOM 0 HB3 ALA A 5 6.514 3.122 0.029 1.00 60.33 H new ATOM 66 N LEU A 6 8.647 2.532 -1.899 1.00 13.41 N ATOM 67 CA LEU A 6 9.947 1.882 -2.020 1.00 10.21 C ATOM 68 C LEU A 6 10.615 2.242 -3.343 1.00 10.40 C ATOM 69 O LEU A 6 11.841 2.220 -3.459 1.00 15.02 O ATOM 70 CB LEU A 6 9.792 0.364 -1.910 1.00 43.32 C ATOM 71 CG LEU A 6 9.797 -0.408 -3.230 1.00 52.10 C ATOM 72 CD1 LEU A 6 11.222 -0.715 -3.664 1.00 34.22 C ATOM 73 CD2 LEU A 6 8.988 -1.691 -3.100 1.00 45.31 C ATOM 0 H LEU A 6 7.851 1.900 -1.977 1.00 13.41 H new ATOM 0 HA LEU A 6 10.580 2.236 -1.207 1.00 10.21 H new ATOM 0 HB2 LEU A 6 10.599 -0.019 -1.285 1.00 43.32 H new ATOM 0 HB3 LEU A 6 8.858 0.151 -1.391 1.00 43.32 H new ATOM 0 HG LEU A 6 9.333 0.215 -3.995 1.00 52.10 H new ATOM 0 HD11 LEU A 6 11.205 -1.265 -4.605 1.00 34.22 H new ATOM 0 HD12 LEU A 6 11.770 0.217 -3.798 1.00 34.22 H new ATOM 0 HD13 LEU A 6 11.713 -1.318 -2.900 1.00 34.22 H new ATOM 0 HD21 LEU A 6 9.002 -2.228 -4.049 1.00 45.31 H new ATOM 0 HD22 LEU A 6 9.423 -2.318 -2.322 1.00 45.31 H new ATOM 0 HD23 LEU A 6 7.959 -1.447 -2.837 1.00 45.31 H new ATOM 85 N LYS A 7 9.801 2.577 -4.339 1.00 24.41 N ATOM 86 CA LYS A 7 10.312 2.946 -5.654 1.00 21.33 C ATOM 87 C LYS A 7 10.947 4.332 -5.621 1.00 41.22 C ATOM 88 O LYS A 7 11.956 4.580 -6.281 1.00 64.14 O ATOM 89 CB LYS A 7 9.185 2.913 -6.689 1.00 3.42 C ATOM 90 CG LYS A 7 9.595 3.448 -8.050 1.00 74.23 C ATOM 91 CD LYS A 7 8.440 3.404 -9.037 1.00 14.13 C ATOM 92 CE LYS A 7 7.333 4.371 -8.643 1.00 24.22 C ATOM 93 NZ LYS A 7 6.998 5.310 -9.749 1.00 34.13 N ATOM 0 H LYS A 7 8.784 2.600 -4.260 1.00 24.41 H new ATOM 0 HA LYS A 7 11.077 2.222 -5.936 1.00 21.33 H new ATOM 0 HB2 LYS A 7 8.836 1.887 -6.801 1.00 3.42 H new ATOM 0 HB3 LYS A 7 8.343 3.497 -6.317 1.00 3.42 H new ATOM 0 HG2 LYS A 7 9.948 4.474 -7.947 1.00 74.23 H new ATOM 0 HG3 LYS A 7 10.428 2.861 -8.437 1.00 74.23 H new ATOM 0 HD2 LYS A 7 8.803 3.652 -10.035 1.00 14.13 H new ATOM 0 HD3 LYS A 7 8.040 2.391 -9.086 1.00 14.13 H new ATOM 0 HE2 LYS A 7 6.443 3.809 -8.362 1.00 24.22 H new ATOM 0 HE3 LYS A 7 7.642 4.939 -7.765 1.00 24.22 H new ATOM 0 HZ1 LYS A 7 6.240 5.952 -9.442 1.00 34.13 H new ATOM 0 HZ2 LYS A 7 7.841 5.865 -10.001 1.00 34.13 H new ATOM 0 HZ3 LYS A 7 6.679 4.770 -10.578 1.00 34.13 H new ATOM 107 N LYS A 8 10.351 5.233 -4.848 1.00 14.10 N ATOM 108 CA LYS A 8 10.859 6.594 -4.726 1.00 52.34 C ATOM 109 C LYS A 8 12.032 6.652 -3.753 1.00 51.31 C ATOM 110 O LYS A 8 12.868 7.552 -3.827 1.00 13.52 O ATOM 111 CB LYS A 8 9.747 7.536 -4.258 1.00 70.12 C ATOM 112 CG LYS A 8 9.082 7.096 -2.965 1.00 50.43 C ATOM 113 CD LYS A 8 8.060 8.115 -2.489 1.00 44.42 C ATOM 114 CE LYS A 8 8.092 8.272 -0.977 1.00 23.14 C ATOM 115 NZ LYS A 8 8.996 9.376 -0.552 1.00 44.42 N ATOM 0 H LYS A 8 9.514 5.045 -4.296 1.00 14.10 H new ATOM 0 HA LYS A 8 11.208 6.914 -5.708 1.00 52.34 H new ATOM 0 HB2 LYS A 8 10.162 8.535 -4.122 1.00 70.12 H new ATOM 0 HB3 LYS A 8 8.991 7.608 -5.040 1.00 70.12 H new ATOM 0 HG2 LYS A 8 8.594 6.133 -3.115 1.00 50.43 H new ATOM 0 HG3 LYS A 8 9.840 6.953 -2.195 1.00 50.43 H new ATOM 0 HD2 LYS A 8 8.258 9.078 -2.960 1.00 44.42 H new ATOM 0 HD3 LYS A 8 7.063 7.806 -2.803 1.00 44.42 H new ATOM 0 HE2 LYS A 8 7.084 8.467 -0.611 1.00 23.14 H new ATOM 0 HE3 LYS A 8 8.421 7.338 -0.522 1.00 23.14 H new ATOM 0 HZ1 LYS A 8 8.990 9.450 0.485 1.00 44.42 H new ATOM 0 HZ2 LYS A 8 9.963 9.178 -0.879 1.00 44.42 H new ATOM 0 HZ3 LYS A 8 8.668 10.272 -0.965 1.00 44.42 H new ATOM 129 N ALA A 9 12.088 5.686 -2.843 1.00 31.42 N ATOM 130 CA ALA A 9 13.161 5.625 -1.858 1.00 15.23 C ATOM 131 C ALA A 9 14.522 5.506 -2.535 1.00 13.23 C ATOM 132 O ALA A 9 15.548 5.862 -1.956 1.00 2.43 O ATOM 133 CB ALA A 9 12.938 4.459 -0.906 1.00 63.23 C ATOM 0 H ALA A 9 11.403 4.934 -2.767 1.00 31.42 H new ATOM 0 HA ALA A 9 13.149 6.553 -1.287 1.00 15.23 H new ATOM 0 HB1 ALA A 9 13.747 4.426 -0.176 1.00 63.23 H new ATOM 0 HB2 ALA A 9 11.987 4.588 -0.389 1.00 63.23 H new ATOM 0 HB3 ALA A 9 12.920 3.527 -1.470 1.00 63.23 H new ATOM 139 N LYS A 10 14.524 5.002 -3.764 1.00 53.42 N ATOM 140 CA LYS A 10 15.759 4.836 -4.522 1.00 14.45 C ATOM 141 C LYS A 10 16.518 6.156 -4.620 1.00 71.41 C ATOM 142 O LYS A 10 17.749 6.175 -4.642 1.00 12.51 O ATOM 143 CB LYS A 10 15.453 4.305 -5.924 1.00 44.40 C ATOM 144 CG LYS A 10 14.859 5.349 -6.854 1.00 11.24 C ATOM 145 CD LYS A 10 14.226 4.710 -8.078 1.00 33.31 C ATOM 146 CE LYS A 10 15.279 4.154 -9.024 1.00 40.11 C ATOM 147 NZ LYS A 10 14.673 3.329 -10.105 1.00 62.44 N ATOM 0 H LYS A 10 13.683 4.701 -4.257 1.00 53.42 H new ATOM 0 HA LYS A 10 16.385 4.115 -3.996 1.00 14.45 H new ATOM 0 HB2 LYS A 10 16.372 3.918 -6.365 1.00 44.40 H new ATOM 0 HB3 LYS A 10 14.761 3.467 -5.843 1.00 44.40 H new ATOM 0 HG2 LYS A 10 14.109 5.931 -6.318 1.00 11.24 H new ATOM 0 HG3 LYS A 10 15.638 6.044 -7.167 1.00 11.24 H new ATOM 0 HD2 LYS A 10 13.556 3.909 -7.766 1.00 33.31 H new ATOM 0 HD3 LYS A 10 13.618 5.448 -8.602 1.00 33.31 H new ATOM 0 HE2 LYS A 10 15.840 4.977 -9.467 1.00 40.11 H new ATOM 0 HE3 LYS A 10 15.990 3.549 -8.461 1.00 40.11 H new ATOM 0 HZ1 LYS A 10 15.423 2.968 -10.729 1.00 62.44 H new ATOM 0 HZ2 LYS A 10 14.158 2.529 -9.684 1.00 62.44 H new ATOM 0 HZ3 LYS A 10 14.013 3.912 -10.659 1.00 62.44 H new ATOM 161 N LYS A 11 15.777 7.257 -4.678 1.00 33.20 N ATOM 162 CA LYS A 11 16.379 8.581 -4.771 1.00 42.32 C ATOM 163 C LYS A 11 17.117 8.935 -3.484 1.00 11.31 C ATOM 164 O LYS A 11 18.044 9.744 -3.491 1.00 22.34 O ATOM 165 CB LYS A 11 15.306 9.633 -5.062 1.00 62.03 C ATOM 166 CG LYS A 11 15.871 10.972 -5.504 1.00 70.11 C ATOM 167 CD LYS A 11 15.474 12.086 -4.551 1.00 2.55 C ATOM 168 CE LYS A 11 16.034 11.852 -3.156 1.00 13.23 C ATOM 169 NZ LYS A 11 15.587 12.899 -2.196 1.00 14.13 N ATOM 0 H LYS A 11 14.757 7.258 -4.662 1.00 33.20 H new ATOM 0 HA LYS A 11 17.098 8.569 -5.590 1.00 42.32 H new ATOM 0 HB2 LYS A 11 14.640 9.255 -5.838 1.00 62.03 H new ATOM 0 HB3 LYS A 11 14.702 9.781 -4.167 1.00 62.03 H new ATOM 0 HG2 LYS A 11 16.958 10.909 -5.559 1.00 70.11 H new ATOM 0 HG3 LYS A 11 15.514 11.205 -6.507 1.00 70.11 H new ATOM 0 HD2 LYS A 11 15.836 13.040 -4.934 1.00 2.55 H new ATOM 0 HD3 LYS A 11 14.387 12.154 -4.501 1.00 2.55 H new ATOM 0 HE2 LYS A 11 15.718 10.872 -2.798 1.00 13.23 H new ATOM 0 HE3 LYS A 11 17.123 11.840 -3.199 1.00 13.23 H new ATOM 0 HZ1 LYS A 11 15.990 12.704 -1.257 1.00 14.13 H new ATOM 0 HZ2 LYS A 11 15.910 13.832 -2.524 1.00 14.13 H new ATOM 0 HZ3 LYS A 11 14.549 12.894 -2.135 1.00 14.13 H new ATOM 190 N ILE A 13 18.953 6.963 -1.872 1.00 53.52 N ATOM 191 CA ILE A 13 20.076 6.044 -1.745 1.00 62.50 C ATOM 192 C ILE A 13 21.286 6.735 -1.126 1.00 11.40 C ATOM 193 O ILE A 13 21.967 6.171 -0.272 1.00 24.34 O ATOM 194 CB ILE A 13 20.479 5.454 -3.110 1.00 14.41 C ATOM 195 CG1 ILE A 13 21.718 4.569 -2.962 1.00 74.13 C ATOM 196 CG2 ILE A 13 20.734 6.569 -4.113 1.00 51.04 C ATOM 197 CD1 ILE A 13 23.011 5.279 -3.295 1.00 1.35 C ATOM 0 HA ILE A 13 19.748 5.236 -1.091 1.00 62.50 H new ATOM 0 HB ILE A 13 19.659 4.839 -3.480 1.00 14.41 H new ATOM 0 HG12 ILE A 13 21.770 4.199 -1.938 1.00 74.13 H new ATOM 0 HG13 ILE A 13 21.613 3.699 -3.611 1.00 74.13 H new ATOM 0 HG21 ILE A 13 21.018 6.137 -5.073 1.00 51.04 H new ATOM 0 HG22 ILE A 13 19.828 7.162 -4.236 1.00 51.04 H new ATOM 0 HG23 ILE A 13 21.539 7.208 -3.750 1.00 51.04 H new ATOM 0 HD11 ILE A 13 23.847 4.591 -3.168 1.00 1.35 H new ATOM 0 HD12 ILE A 13 22.980 5.626 -4.328 1.00 1.35 H new ATOM 0 HD13 ILE A 13 23.139 6.133 -2.629 1.00 1.35 H new ATOM 209 N GLY A 14 21.546 7.964 -1.563 1.00 11.24 N ATOM 210 CA GLY A 14 22.673 8.714 -1.039 1.00 55.53 C ATOM 211 C GLY A 14 22.637 8.836 0.471 1.00 14.51 C ATOM 212 O GLY A 14 23.662 9.086 1.105 1.00 55.11 O ATOM 0 H GLY A 14 20.997 8.453 -2.270 1.00 11.24 H new ATOM 0 HA2 GLY A 14 23.601 8.227 -1.339 1.00 55.53 H new ATOM 0 HA3 GLY A 14 22.679 9.710 -1.481 1.00 55.53 H new ATOM 216 N ALA A 15 21.453 8.662 1.049 1.00 31.44 N ATOM 217 CA ALA A 15 21.288 8.753 2.495 1.00 53.33 C ATOM 218 C ALA A 15 21.711 7.458 3.179 1.00 63.11 C ATOM 219 O ALA A 15 22.026 7.447 4.369 1.00 64.11 O ATOM 220 CB ALA A 15 19.844 9.088 2.841 1.00 63.32 C ATOM 0 H ALA A 15 20.594 8.457 0.538 1.00 31.44 H new ATOM 0 HA ALA A 15 21.933 9.553 2.860 1.00 53.33 H new ATOM 0 HB1 ALA A 15 19.735 9.153 3.924 1.00 63.32 H new ATOM 0 HB2 ALA A 15 19.574 10.044 2.391 1.00 63.32 H new ATOM 0 HB3 ALA A 15 19.187 8.308 2.456 1.00 63.32 H new ATOM 226 N VAL A 16 21.716 6.367 2.419 1.00 31.04 N ATOM 227 CA VAL A 16 22.101 5.066 2.953 1.00 62.23 C ATOM 228 C VAL A 16 23.581 5.038 3.317 1.00 22.31 C ATOM 229 O VAL A 16 24.019 4.210 4.117 1.00 3.14 O ATOM 230 CB VAL A 16 21.810 3.938 1.945 1.00 23.21 C ATOM 231 CG1 VAL A 16 22.094 2.579 2.568 1.00 55.22 C ATOM 232 CG2 VAL A 16 20.373 4.019 1.455 1.00 55.50 C ATOM 0 H VAL A 16 21.458 6.358 1.432 1.00 31.04 H new ATOM 0 HA VAL A 16 21.506 4.903 3.851 1.00 62.23 H new ATOM 0 HB VAL A 16 22.470 4.063 1.086 1.00 23.21 H new ATOM 0 HG11 VAL A 16 21.883 1.794 1.841 1.00 55.22 H new ATOM 0 HG12 VAL A 16 23.142 2.526 2.865 1.00 55.22 H new ATOM 0 HG13 VAL A 16 21.461 2.441 3.445 1.00 55.22 H new ATOM 0 HG21 VAL A 16 20.185 3.215 0.744 1.00 55.50 H new ATOM 0 HG22 VAL A 16 19.694 3.921 2.302 1.00 55.50 H new ATOM 0 HG23 VAL A 16 20.208 4.980 0.968 1.00 55.50 H new ATOM 242 N LEU A 17 24.348 5.947 2.726 1.00 52.24 N ATOM 243 CA LEU A 17 25.781 6.028 2.988 1.00 35.10 C ATOM 244 C LEU A 17 26.112 7.259 3.826 1.00 61.41 C ATOM 245 O LEU A 17 27.169 7.330 4.453 1.00 43.01 O ATOM 246 CB LEU A 17 26.559 6.068 1.672 1.00 53.23 C ATOM 247 CG LEU A 17 27.247 4.767 1.259 1.00 61.21 C ATOM 248 CD1 LEU A 17 28.377 4.432 2.220 1.00 12.24 C ATOM 249 CD2 LEU A 17 26.241 3.627 1.198 1.00 33.03 C ATOM 0 H LEU A 17 24.002 6.639 2.062 1.00 52.24 H new ATOM 0 HA LEU A 17 26.074 5.140 3.548 1.00 35.10 H new ATOM 0 HB2 LEU A 17 25.874 6.361 0.877 1.00 53.23 H new ATOM 0 HB3 LEU A 17 27.316 6.849 1.744 1.00 53.23 H new ATOM 0 HG LEU A 17 27.672 4.904 0.264 1.00 61.21 H new ATOM 0 HD11 LEU A 17 28.855 3.503 1.910 1.00 12.24 H new ATOM 0 HD12 LEU A 17 29.111 5.238 2.213 1.00 12.24 H new ATOM 0 HD13 LEU A 17 27.976 4.315 3.227 1.00 12.24 H new ATOM 0 HD21 LEU A 17 26.749 2.709 0.902 1.00 33.03 H new ATOM 0 HD22 LEU A 17 25.786 3.490 2.179 1.00 33.03 H new ATOM 0 HD23 LEU A 17 25.466 3.864 0.469 1.00 33.03 H new ATOM 261 N LYS A 18 25.201 8.226 3.834 1.00 71.42 N ATOM 262 CA LYS A 18 25.393 9.453 4.597 1.00 25.22 C ATOM 263 C LYS A 18 25.284 9.185 6.095 1.00 74.02 C ATOM 264 O LYS A 18 26.009 9.774 6.896 1.00 42.21 O ATOM 265 CB LYS A 18 24.363 10.505 4.179 1.00 23.45 C ATOM 266 CG LYS A 18 24.270 11.679 5.138 1.00 2.11 C ATOM 267 CD LYS A 18 23.770 12.932 4.438 1.00 25.22 C ATOM 268 CE LYS A 18 22.380 12.728 3.857 1.00 51.33 C ATOM 269 NZ LYS A 18 21.904 13.934 3.123 1.00 35.42 N ATOM 0 H LYS A 18 24.321 8.183 3.320 1.00 71.42 H new ATOM 0 HA LYS A 18 26.394 9.830 4.385 1.00 25.22 H new ATOM 0 HB2 LYS A 18 24.618 10.877 3.186 1.00 23.45 H new ATOM 0 HB3 LYS A 18 23.384 10.032 4.101 1.00 23.45 H new ATOM 0 HG2 LYS A 18 23.599 11.427 5.959 1.00 2.11 H new ATOM 0 HG3 LYS A 18 25.250 11.872 5.575 1.00 2.11 H new ATOM 0 HD2 LYS A 18 23.752 13.762 5.144 1.00 25.22 H new ATOM 0 HD3 LYS A 18 24.462 13.206 3.642 1.00 25.22 H new ATOM 0 HE2 LYS A 18 22.390 11.872 3.182 1.00 51.33 H new ATOM 0 HE3 LYS A 18 21.682 12.492 4.660 1.00 51.33 H new ATOM 0 HZ1 LYS A 18 20.953 13.756 2.742 1.00 35.42 H new ATOM 0 HZ2 LYS A 18 21.870 14.745 3.773 1.00 35.42 H new ATOM 0 HZ3 LYS A 18 22.556 14.144 2.341 1.00 35.42 H new ATOM 283 N VAL A 19 24.372 8.291 6.466 1.00 4.23 N ATOM 284 CA VAL A 19 24.170 7.943 7.868 1.00 54.34 C ATOM 285 C VAL A 19 24.992 6.720 8.255 1.00 63.54 C ATOM 286 O VAL A 19 25.426 6.586 9.400 1.00 42.23 O ATOM 287 CB VAL A 19 22.685 7.666 8.168 1.00 74.23 C ATOM 288 CG1 VAL A 19 21.888 8.962 8.167 1.00 63.22 C ATOM 289 CG2 VAL A 19 22.113 6.679 7.161 1.00 24.30 C ATOM 0 H VAL A 19 23.762 7.795 5.816 1.00 4.23 H new ATOM 0 HA VAL A 19 24.499 8.799 8.457 1.00 54.34 H new ATOM 0 HB VAL A 19 22.610 7.222 9.161 1.00 74.23 H new ATOM 0 HG11 VAL A 19 20.841 8.746 8.381 1.00 63.22 H new ATOM 0 HG12 VAL A 19 22.283 9.633 8.930 1.00 63.22 H new ATOM 0 HG13 VAL A 19 21.968 9.437 7.189 1.00 63.22 H new ATOM 0 HG21 VAL A 19 21.063 6.495 7.388 1.00 24.30 H new ATOM 0 HG22 VAL A 19 22.200 7.093 6.156 1.00 24.30 H new ATOM 0 HG23 VAL A 19 22.666 5.741 7.216 1.00 24.30 H new ATOM 299 N LEU A 20 25.204 5.828 7.293 1.00 22.10 N ATOM 300 CA LEU A 20 25.976 4.613 7.532 1.00 3.53 C ATOM 301 C LEU A 20 27.344 4.945 8.121 1.00 31.21 C ATOM 302 O LEU A 20 27.968 4.111 8.778 1.00 63.01 O ATOM 303 CB LEU A 20 26.146 3.828 6.230 1.00 15.35 C ATOM 304 CG LEU A 20 25.313 2.552 6.103 1.00 13.22 C ATOM 305 CD1 LEU A 20 25.588 1.865 4.775 1.00 50.45 C ATOM 306 CD2 LEU A 20 25.601 1.610 7.263 1.00 74.44 C ATOM 0 H LEU A 20 24.852 5.923 6.340 1.00 22.10 H new ATOM 0 HA LEU A 20 25.430 4.000 8.249 1.00 3.53 H new ATOM 0 HB2 LEU A 20 25.896 4.486 5.397 1.00 15.35 H new ATOM 0 HB3 LEU A 20 27.198 3.564 6.123 1.00 15.35 H new ATOM 0 HG LEU A 20 24.258 2.825 6.136 1.00 13.22 H new ATOM 0 HD11 LEU A 20 24.986 0.959 4.703 1.00 50.45 H new ATOM 0 HD12 LEU A 20 25.331 2.538 3.957 1.00 50.45 H new ATOM 0 HD13 LEU A 20 26.645 1.605 4.712 1.00 50.45 H new ATOM 0 HD21 LEU A 20 25.000 0.707 7.156 1.00 74.44 H new ATOM 0 HD22 LEU A 20 26.658 1.344 7.262 1.00 74.44 H new ATOM 0 HD23 LEU A 20 25.352 2.103 8.203 1.00 74.44 H new ATOM 318 N THR A 21 27.804 6.169 7.883 1.00 1.33 N ATOM 319 CA THR A 21 29.097 6.612 8.390 1.00 33.24 C ATOM 320 C THR A 21 29.047 6.843 9.896 1.00 15.53 C ATOM 321 O THR A 21 30.048 6.681 10.594 1.00 2.12 O ATOM 322 CB THR A 21 29.558 7.908 7.698 1.00 11.21 C ATOM 323 OG1 THR A 21 29.142 7.906 6.328 1.00 41.51 O ATOM 324 CG2 THR A 21 31.070 8.054 7.774 1.00 22.13 C ATOM 0 H THR A 21 27.300 6.872 7.342 1.00 1.33 H new ATOM 0 HA THR A 21 29.811 5.818 8.170 1.00 33.24 H new ATOM 0 HB THR A 21 29.101 8.752 8.215 1.00 11.21 H new ATOM 0 HG1 THR A 21 29.437 8.734 5.895 1.00 41.51 H new ATOM 0 HG21 THR A 21 31.372 8.977 7.278 1.00 22.13 H new ATOM 0 HG22 THR A 21 31.381 8.085 8.818 1.00 22.13 H new ATOM 0 HG23 THR A 21 31.543 7.205 7.280 1.00 22.13 H new ATOM 332 N THR A 22 27.873 7.224 10.393 1.00 25.42 N ATOM 333 CA THR A 22 27.693 7.478 11.817 1.00 52.12 C ATOM 334 C THR A 22 28.080 6.259 12.647 1.00 54.34 C ATOM 335 O THR A 22 28.436 6.381 13.818 1.00 55.11 O ATOM 336 CB THR A 22 26.236 7.863 12.138 1.00 23.24 C ATOM 337 OG1 THR A 22 25.857 9.019 11.384 1.00 3.52 O ATOM 338 CG2 THR A 22 26.066 8.141 13.624 1.00 14.41 C ATOM 0 H THR A 22 27.034 7.363 9.830 1.00 25.42 H new ATOM 0 HA THR A 22 28.347 8.311 12.075 1.00 52.12 H new ATOM 0 HB THR A 22 25.593 7.026 11.865 1.00 23.24 H new ATOM 0 HG1 THR A 22 24.929 9.256 11.593 1.00 3.52 H new ATOM 0 HG21 THR A 22 25.030 8.411 13.827 1.00 14.41 H new ATOM 0 HG22 THR A 22 26.327 7.249 14.193 1.00 14.41 H new ATOM 0 HG23 THR A 22 26.719 8.963 13.917 1.00 14.41 H new ATOM 346 N GLY A 23 28.008 5.083 12.031 1.00 31.21 N ATOM 347 CA GLY A 23 28.354 3.858 12.729 1.00 43.33 C ATOM 348 C GLY A 23 29.509 3.125 12.075 1.00 0.40 C ATOM 349 O GLY A 23 30.075 2.199 12.657 1.00 71.35 O ATOM 0 H GLY A 23 27.716 4.957 11.062 1.00 31.21 H new ATOM 0 HA2 GLY A 23 28.614 4.093 13.761 1.00 43.33 H new ATOM 0 HA3 GLY A 23 27.483 3.203 12.761 1.00 43.33 H new ATOM 353 N LEU A 24 29.859 3.539 10.862 1.00 3.02 N ATOM 354 CA LEU A 24 30.954 2.914 10.127 1.00 13.33 C ATOM 355 C LEU A 24 32.271 3.636 10.394 1.00 32.01 C ATOM 356 O LEU A 24 33.279 3.009 10.721 1.00 54.42 O ATOM 357 CB LEU A 24 30.653 2.915 8.627 1.00 1.54 C ATOM 358 CG LEU A 24 29.700 1.827 8.133 1.00 14.11 C ATOM 359 CD1 LEU A 24 29.339 2.056 6.673 1.00 22.14 C ATOM 360 CD2 LEU A 24 30.319 0.450 8.322 1.00 75.20 C ATOM 0 H LEU A 24 29.401 4.304 10.367 1.00 3.02 H new ATOM 0 HA LEU A 24 31.050 1.884 10.471 1.00 13.33 H new ATOM 0 HB2 LEU A 24 30.233 3.885 8.362 1.00 1.54 H new ATOM 0 HB3 LEU A 24 31.595 2.817 8.088 1.00 1.54 H new ATOM 0 HG LEU A 24 28.785 1.876 8.724 1.00 14.11 H new ATOM 0 HD11 LEU A 24 28.660 1.272 6.339 1.00 22.14 H new ATOM 0 HD12 LEU A 24 28.854 3.026 6.566 1.00 22.14 H new ATOM 0 HD13 LEU A 24 30.245 2.035 6.067 1.00 22.14 H new ATOM 0 HD21 LEU A 24 29.627 -0.312 7.965 1.00 75.20 H new ATOM 0 HD22 LEU A 24 31.249 0.389 7.757 1.00 75.20 H new ATOM 0 HD23 LEU A 24 30.525 0.286 9.380 1.00 75.20 H new