USER MOD reduce.3.24.130724 H: found=0, std=0, add=188, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 189 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -67:sc= 1.22 USER MOD Single : A 10 SER OG : rot 89:sc= 1.19 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -167:sc= -0.0767 (180deg=-0.286) USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= 1.18 (180deg=0.461) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 34.877 16.810 17.378 1.00 10.00 N ATOM 19 CA ASP A 3 35.223 17.860 18.351 1.00 10.00 C ATOM 20 C ASP A 3 36.278 18.867 17.854 1.00 10.00 C ATOM 21 O ASP A 3 36.373 19.966 18.402 1.00 10.00 O ATOM 22 CB ASP A 3 35.437 17.175 19.743 1.00 10.00 C ATOM 23 CG ASP A 3 35.414 18.230 20.871 1.00 10.00 C ATOM 24 OD1 ASP A 3 34.519 19.071 20.968 1.00 10.00 O ATOM 25 OD2 ASP A 3 36.339 18.213 21.694 1.00 10.00 O ATOM 0 HA ASP A 3 34.398 18.559 18.484 1.00 10.00 H new ATOM 0 HB2 ASP A 3 34.657 16.433 19.914 1.00 10.00 H new ATOM 0 HB3 ASP A 3 36.389 16.644 19.752 1.00 10.00 H new ATOM 30 N ALA A 4 36.904 18.606 16.710 1.00 10.00 N ATOM 31 CA ALA A 4 37.810 19.554 16.067 1.00 10.00 C ATOM 32 C ALA A 4 37.085 20.770 15.633 1.00 10.00 C ATOM 33 O ALA A 4 37.621 21.888 15.713 1.00 10.00 O ATOM 34 CB ALA A 4 38.653 18.812 14.970 1.00 10.00 C ATOM 0 H ALA A 4 36.797 17.729 16.201 1.00 10.00 H new ATOM 0 HA ALA A 4 38.545 19.939 16.774 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.329 19.520 14.490 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.233 18.014 15.434 1.00 10.00 H new ATOM 0 HB3 ALA A 4 37.983 18.386 14.223 1.00 10.00 H new ATOM 40 N ALA A 5 35.845 20.643 15.077 1.00 10.00 N ATOM 41 CA ALA A 5 35.144 21.917 14.617 1.00 10.00 C ATOM 42 C ALA A 5 34.801 22.824 15.761 1.00 10.00 C ATOM 43 O ALA A 5 34.387 23.973 15.563 1.00 10.00 O ATOM 44 CB ALA A 5 33.903 21.567 13.746 1.00 10.00 C ATOM 0 H ALA A 5 35.336 19.770 14.938 1.00 10.00 H new ATOM 0 HA ALA A 5 35.842 22.478 13.995 1.00 10.00 H new ATOM 0 HB1 ALA A 5 33.413 22.486 13.425 1.00 10.00 H new ATOM 0 HB2 ALA A 5 34.221 21.001 12.871 1.00 10.00 H new ATOM 0 HB3 ALA A 5 33.205 20.969 14.331 1.00 10.00 H new ATOM 50 N VAL A 6 34.812 22.337 16.994 1.00 10.00 N ATOM 51 CA VAL A 6 34.356 22.966 18.269 1.00 10.00 C ATOM 52 C VAL A 6 35.618 23.390 19.083 1.00 10.00 C ATOM 53 O VAL A 6 35.623 23.529 20.272 1.00 10.00 O ATOM 54 CB VAL A 6 33.399 21.984 18.958 1.00 10.00 C ATOM 55 CG1 VAL A 6 32.581 22.725 20.021 1.00 10.00 C ATOM 56 CG2 VAL A 6 32.315 21.436 18.029 1.00 10.00 C ATOM 0 H VAL A 6 35.173 21.399 17.166 1.00 10.00 H new ATOM 0 HA VAL A 6 33.785 23.885 18.133 1.00 10.00 H new ATOM 0 HB VAL A 6 34.042 21.189 19.335 1.00 10.00 H new ATOM 0 HG11 VAL A 6 31.902 22.027 20.510 1.00 10.00 H new ATOM 0 HG12 VAL A 6 33.254 23.156 20.763 1.00 10.00 H new ATOM 0 HG13 VAL A 6 32.005 23.520 19.548 1.00 10.00 H new ATOM 0 HG21 VAL A 6 31.675 20.749 18.582 1.00 10.00 H new ATOM 0 HG22 VAL A 6 31.715 22.260 17.644 1.00 10.00 H new ATOM 0 HG23 VAL A 6 32.781 20.908 17.198 1.00 10.00 H new ATOM 66 N ASP A 7 36.742 23.604 18.388 1.00 10.00 N ATOM 67 CA ASP A 7 38.027 24.032 18.967 1.00 10.00 C ATOM 68 C ASP A 7 38.476 23.042 20.134 1.00 10.00 C ATOM 69 O ASP A 7 39.248 23.395 21.032 1.00 10.00 O ATOM 70 CB ASP A 7 37.978 25.564 19.316 1.00 10.00 C ATOM 71 CG ASP A 7 39.378 26.163 19.499 1.00 10.00 C ATOM 72 OD1 ASP A 7 39.893 26.447 18.384 1.00 10.00 O ATOM 73 OD2 ASP A 7 39.993 26.309 20.581 1.00 10.00 O ATOM 0 H ASP A 7 36.786 23.481 17.376 1.00 10.00 H new ATOM 0 HA ASP A 7 38.834 23.950 18.239 1.00 10.00 H new ATOM 0 HB2 ASP A 7 37.457 26.099 18.522 1.00 10.00 H new ATOM 0 HB3 ASP A 7 37.401 25.708 20.229 1.00 10.00 H new ATOM 78 N THR A 8 38.106 21.785 20.027 1.00 10.00 N ATOM 79 CA THR A 8 38.202 20.745 21.128 1.00 10.00 C ATOM 80 C THR A 8 37.519 21.167 22.376 1.00 10.00 C ATOM 81 O THR A 8 38.165 21.634 23.324 1.00 10.00 O ATOM 82 CB THR A 8 39.613 20.183 21.459 1.00 10.00 C ATOM 83 OG1 THR A 8 39.990 19.622 20.232 1.00 10.00 O ATOM 84 CG2 THR A 8 39.571 18.912 22.335 1.00 10.00 C ATOM 0 H THR A 8 37.714 21.408 19.164 1.00 10.00 H new ATOM 0 HA THR A 8 37.672 19.907 20.675 1.00 10.00 H new ATOM 0 HB THR A 8 40.214 20.961 21.930 1.00 10.00 H new ATOM 0 HG1 THR A 8 40.884 19.228 20.313 1.00 10.00 H new ATOM 0 HG21 THR A 8 40.588 18.571 22.530 1.00 10.00 H new ATOM 0 HG22 THR A 8 39.077 19.138 23.280 1.00 10.00 H new ATOM 0 HG23 THR A 8 39.019 18.129 21.814 1.00 10.00 H new ATOM 92 N SER A 9 36.181 20.978 22.489 1.00 10.00 N ATOM 93 CA SER A 9 35.482 21.233 23.759 1.00 10.00 C ATOM 94 C SER A 9 35.819 20.186 24.805 1.00 10.00 C ATOM 95 O SER A 9 35.546 20.291 26.007 1.00 10.00 O ATOM 96 CB SER A 9 33.938 21.163 23.563 1.00 10.00 C ATOM 97 OG SER A 9 33.467 19.889 23.103 1.00 10.00 O ATOM 0 H SER A 9 35.581 20.657 21.730 1.00 10.00 H new ATOM 0 HA SER A 9 35.802 22.222 24.085 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.451 21.399 24.509 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.637 21.930 22.849 1.00 10.00 H new ATOM 0 HG SER A 9 33.790 19.731 22.191 1.00 10.00 H new ATOM 103 N SER A 10 36.319 19.008 24.397 1.00 10.00 N ATOM 104 CA SER A 10 36.943 17.974 25.258 1.00 10.00 C ATOM 105 C SER A 10 38.061 18.451 26.182 1.00 10.00 C ATOM 106 O SER A 10 38.328 17.726 27.130 1.00 10.00 O ATOM 107 CB SER A 10 37.415 16.796 24.433 1.00 10.00 C ATOM 108 OG SER A 10 36.484 16.445 23.413 1.00 10.00 O ATOM 0 H SER A 10 36.301 18.732 23.415 1.00 10.00 H new ATOM 0 HA SER A 10 36.138 17.675 25.930 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.376 17.035 23.978 1.00 10.00 H new ATOM 0 HB3 SER A 10 37.576 15.938 25.086 1.00 10.00 H new ATOM 0 HG SER A 10 36.685 16.951 22.598 1.00 10.00 H new ATOM 114 N GLU A 11 38.756 19.563 25.898 1.00 10.00 N ATOM 115 CA GLU A 11 39.685 20.149 26.860 1.00 10.00 C ATOM 116 C GLU A 11 38.967 20.980 27.947 1.00 10.00 C ATOM 117 O GLU A 11 39.317 20.777 29.086 1.00 10.00 O ATOM 118 CB GLU A 11 40.759 21.036 26.238 1.00 10.00 C ATOM 119 CG GLU A 11 41.673 20.179 25.380 1.00 10.00 C ATOM 120 CD GLU A 11 42.592 21.147 24.552 1.00 10.00 C ATOM 121 OE1 GLU A 11 42.193 21.812 23.642 1.00 10.00 O ATOM 122 OE2 GLU A 11 43.779 21.238 24.898 1.00 10.00 O ATOM 0 H GLU A 11 38.689 20.068 25.014 1.00 10.00 H new ATOM 0 HA GLU A 11 40.167 19.277 27.301 1.00 10.00 H new ATOM 0 HB2 GLU A 11 40.298 21.817 25.633 1.00 10.00 H new ATOM 0 HB3 GLU A 11 41.334 21.535 27.018 1.00 10.00 H new ATOM 0 HG2 GLU A 11 42.276 19.519 26.004 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.089 19.543 24.715 1.00 10.00 H new ATOM 129 N ILE A 12 38.199 21.972 27.523 1.00 10.00 N ATOM 130 CA ILE A 12 37.607 23.002 28.328 1.00 10.00 C ATOM 131 C ILE A 12 36.438 22.504 29.171 1.00 10.00 C ATOM 132 O ILE A 12 35.971 23.221 30.092 1.00 10.00 O ATOM 133 CB ILE A 12 37.279 24.293 27.477 1.00 10.00 C ATOM 134 CG1 ILE A 12 36.211 24.013 26.443 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.645 24.843 26.894 1.00 10.00 C ATOM 136 CD1 ILE A 12 34.931 24.736 26.726 1.00 10.00 C ATOM 0 H ILE A 12 37.963 22.076 26.536 1.00 10.00 H new ATOM 0 HA ILE A 12 38.357 23.306 29.058 1.00 10.00 H new ATOM 0 HB ILE A 12 36.842 25.079 28.093 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.578 24.304 25.459 1.00 10.00 H new ATOM 0 HG13 ILE A 12 36.018 22.941 26.407 1.00 10.00 H new ATOM 0 HG21 ILE A 12 38.453 25.737 26.300 1.00 10.00 H new ATOM 0 HG22 ILE A 12 39.318 25.091 27.715 1.00 10.00 H new ATOM 0 HG23 ILE A 12 39.105 24.081 26.265 1.00 10.00 H new ATOM 0 HD11 ILE A 12 34.200 24.499 25.953 1.00 10.00 H new ATOM 0 HD12 ILE A 12 34.545 24.426 27.697 1.00 10.00 H new ATOM 0 HD13 ILE A 12 35.114 25.810 26.734 1.00 10.00 H new ATOM 148 N THR A 13 35.874 21.340 28.873 1.00 10.00 N ATOM 149 CA THR A 13 34.547 20.840 29.359 1.00 10.00 C ATOM 150 C THR A 13 34.243 21.047 30.890 1.00 10.00 C ATOM 151 O THR A 13 33.199 21.532 31.266 1.00 10.00 O ATOM 152 CB THR A 13 34.387 19.354 28.907 1.00 10.00 C ATOM 153 OG1 THR A 13 33.329 18.575 29.469 1.00 10.00 O ATOM 154 CG2 THR A 13 35.679 18.625 29.056 1.00 10.00 C ATOM 0 H THR A 13 36.334 20.669 28.257 1.00 10.00 H new ATOM 0 HA THR A 13 33.786 21.468 28.896 1.00 10.00 H new ATOM 0 HB THR A 13 34.083 19.464 27.866 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.353 17.671 29.092 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.552 17.590 28.737 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.440 19.104 28.440 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.991 18.647 30.100 1.00 10.00 H new ATOM 162 N THR A 14 35.199 20.983 31.832 1.00 10.00 N ATOM 163 CA THR A 14 34.928 21.344 33.227 1.00 10.00 C ATOM 164 C THR A 14 34.308 22.758 33.441 1.00 10.00 C ATOM 165 O THR A 14 33.406 22.939 34.279 1.00 10.00 O ATOM 166 CB THR A 14 36.113 21.065 34.215 1.00 10.00 C ATOM 167 OG1 THR A 14 36.900 20.008 33.846 1.00 10.00 O ATOM 168 CG2 THR A 14 35.500 20.527 35.497 1.00 10.00 C ATOM 0 H THR A 14 36.158 20.687 31.652 1.00 10.00 H new ATOM 0 HA THR A 14 34.139 20.642 33.495 1.00 10.00 H new ATOM 0 HB THR A 14 36.684 21.992 34.270 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.618 19.890 34.502 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.290 20.317 36.218 1.00 10.00 H new ATOM 0 HG22 THR A 14 34.817 21.268 35.912 1.00 10.00 H new ATOM 0 HG23 THR A 14 34.953 19.609 35.281 1.00 10.00 H new ATOM 176 N LYS A 15 34.809 23.742 32.751 1.00 10.00 N ATOM 177 CA LYS A 15 34.218 25.156 32.643 1.00 10.00 C ATOM 178 C LYS A 15 32.766 25.173 32.105 1.00 10.00 C ATOM 179 O LYS A 15 31.899 25.808 32.668 1.00 10.00 O ATOM 180 CB LYS A 15 35.144 26.123 31.897 1.00 10.00 C ATOM 181 CG LYS A 15 36.547 26.165 32.536 1.00 10.00 C ATOM 182 CD LYS A 15 37.603 26.663 31.591 1.00 10.00 C ATOM 183 CE LYS A 15 38.958 26.739 32.306 1.00 10.00 C ATOM 184 NZ LYS A 15 40.077 27.446 31.593 1.00 10.00 N ATOM 0 H LYS A 15 35.667 23.637 32.210 1.00 10.00 H new ATOM 0 HA LYS A 15 34.149 25.529 33.665 1.00 10.00 H new ATOM 0 HB2 LYS A 15 35.227 25.818 30.854 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.710 27.123 31.903 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.521 26.808 33.416 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.815 25.166 32.879 1.00 10.00 H new ATOM 0 HD2 LYS A 15 37.674 25.998 30.730 1.00 10.00 H new ATOM 0 HD3 LYS A 15 37.328 27.647 31.212 1.00 10.00 H new ATOM 0 HE2 LYS A 15 38.805 27.232 33.266 1.00 10.00 H new ATOM 0 HE3 LYS A 15 39.284 25.721 32.519 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 40.933 27.425 32.184 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 40.269 26.969 30.689 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 39.805 28.433 31.413 1.00 10.00 H new ATOM 198 N ASP A 16 32.527 24.311 31.109 1.00 10.00 N ATOM 199 CA ASP A 16 31.131 24.071 30.574 1.00 10.00 C ATOM 200 C ASP A 16 30.242 23.305 31.578 1.00 10.00 C ATOM 201 O ASP A 16 29.027 23.448 31.556 1.00 10.00 O ATOM 202 CB ASP A 16 31.131 23.186 29.262 1.00 10.00 C ATOM 203 CG ASP A 16 29.805 22.994 28.601 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.146 23.888 28.035 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.278 21.855 28.695 1.00 10.00 O ATOM 0 H ASP A 16 33.253 23.764 30.646 1.00 10.00 H new ATOM 0 HA ASP A 16 30.745 25.071 30.379 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.811 23.640 28.542 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.537 22.205 29.509 1.00 10.00 H new ATOM 210 N LEU A 17 30.862 22.590 32.550 1.00 10.00 N ATOM 211 CA LEU A 17 30.282 21.936 33.669 1.00 10.00 C ATOM 212 C LEU A 17 29.869 22.768 34.799 1.00 10.00 C ATOM 213 O LEU A 17 28.751 22.618 35.251 1.00 10.00 O ATOM 214 CB LEU A 17 30.968 20.706 34.174 1.00 10.00 C ATOM 215 CG LEU A 17 30.633 19.423 33.441 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.653 18.318 33.575 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.286 18.842 33.947 1.00 10.00 C ATOM 0 H LEU A 17 31.874 22.467 32.535 1.00 10.00 H new ATOM 0 HA LEU A 17 29.370 21.613 33.167 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.045 20.864 34.120 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.717 20.578 35.227 1.00 10.00 H new ATOM 0 HG LEU A 17 30.600 19.725 32.394 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.319 17.445 33.014 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.611 18.658 33.181 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.766 18.053 34.626 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.062 17.921 33.409 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.359 18.631 35.014 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.490 19.566 33.774 1.00 10.00 H new ATOM 229 N LYS A 18 30.585 23.851 35.144 1.00 10.00 N ATOM 230 CA LYS A 18 30.029 24.851 36.034 1.00 10.00 C ATOM 231 C LYS A 18 28.791 25.563 35.490 1.00 10.00 C ATOM 232 O LYS A 18 27.965 25.973 36.328 1.00 10.00 O ATOM 233 CB LYS A 18 31.109 25.843 36.440 1.00 10.00 C ATOM 234 CG LYS A 18 31.982 25.296 37.566 1.00 10.00 C ATOM 235 CD LYS A 18 32.921 24.065 37.215 1.00 10.00 C ATOM 236 CE LYS A 18 33.905 23.799 38.344 1.00 10.00 C ATOM 237 NZ LYS A 18 34.771 24.883 38.729 1.00 10.00 N ATOM 0 H LYS A 18 31.533 24.044 34.820 1.00 10.00 H new ATOM 0 HA LYS A 18 29.674 24.315 36.914 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.732 26.076 35.577 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.645 26.776 36.760 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.610 26.108 37.933 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.330 25.001 38.388 1.00 10.00 H new ATOM 0 HD2 LYS A 18 32.314 23.177 37.039 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.465 24.268 36.292 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.337 23.492 39.222 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.529 22.953 38.056 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.530 24.521 39.341 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.187 25.313 37.879 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.222 25.599 39.246 1.00 10.00 H new ATOM 251 N GLU A 19 28.614 25.557 34.232 1.00 10.00 N ATOM 252 CA GLU A 19 27.462 26.066 33.553 1.00 10.00 C ATOM 253 C GLU A 19 26.319 25.045 33.707 1.00 10.00 C ATOM 254 O GLU A 19 25.168 25.404 33.927 1.00 10.00 O ATOM 255 CB GLU A 19 27.758 26.486 32.126 1.00 10.00 C ATOM 256 CG GLU A 19 28.881 27.553 32.006 1.00 10.00 C ATOM 257 CD GLU A 19 29.164 28.030 30.599 1.00 10.00 C ATOM 258 OE1 GLU A 19 28.781 27.400 29.558 1.00 10.00 O ATOM 259 OE2 GLU A 19 29.795 29.115 30.427 1.00 10.00 O ATOM 0 H GLU A 19 29.309 25.173 33.591 1.00 10.00 H new ATOM 0 HA GLU A 19 27.137 26.999 34.014 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.043 25.606 31.550 1.00 10.00 H new ATOM 0 HB3 GLU A 19 26.846 26.880 31.677 1.00 10.00 H new ATOM 0 HG2 GLU A 19 28.610 28.414 32.617 1.00 10.00 H new ATOM 0 HG3 GLU A 19 29.799 27.141 32.425 1.00 10.00 H new ATOM 266 N LYS A 20 26.591 23.772 33.529 1.00 10.00 N ATOM 267 CA LYS A 20 25.586 22.729 33.691 1.00 10.00 C ATOM 268 C LYS A 20 25.192 22.610 35.181 1.00 10.00 C ATOM 269 O LYS A 20 24.047 22.296 35.506 1.00 10.00 O ATOM 270 CB LYS A 20 26.158 21.378 33.200 1.00 10.00 C ATOM 271 CG LYS A 20 26.389 21.363 31.710 1.00 10.00 C ATOM 272 CD LYS A 20 25.309 21.962 30.864 1.00 10.00 C ATOM 273 CE LYS A 20 25.503 21.731 29.337 1.00 10.00 C ATOM 274 NZ LYS A 20 26.660 22.526 28.860 1.00 10.00 N ATOM 0 H LYS A 20 27.513 23.424 33.268 1.00 10.00 H new ATOM 0 HA LYS A 20 24.704 22.986 33.104 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.098 21.176 33.713 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.470 20.576 33.467 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.319 21.893 31.503 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.535 20.329 31.397 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.350 21.542 31.166 1.00 10.00 H new ATOM 0 HD3 LYS A 20 25.263 23.034 31.056 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.668 20.672 29.137 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.602 22.021 28.797 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.488 22.838 27.883 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.786 23.358 29.472 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.519 21.941 28.890 1.00 10.00 H new ATOM 288 N LYS A 21 26.124 22.877 36.165 1.00 10.00 N ATOM 289 CA LYS A 21 25.899 22.702 37.605 1.00 10.00 C ATOM 290 C LYS A 21 25.350 23.898 38.273 1.00 10.00 C ATOM 291 O LYS A 21 25.064 23.933 39.506 1.00 10.00 O ATOM 292 CB LYS A 21 27.213 22.242 38.217 1.00 10.00 C ATOM 293 CG LYS A 21 27.619 20.786 37.803 1.00 10.00 C ATOM 294 CD LYS A 21 26.678 19.804 38.458 1.00 10.00 C ATOM 295 CE LYS A 21 27.090 18.486 37.763 1.00 10.00 C ATOM 296 NZ LYS A 21 26.634 17.262 38.519 1.00 10.00 N ATOM 0 H LYS A 21 27.059 23.224 35.950 1.00 10.00 H new ATOM 0 HA LYS A 21 25.125 21.950 37.756 1.00 10.00 H new ATOM 0 HB2 LYS A 21 28.004 22.930 37.919 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.137 22.295 39.303 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.579 20.679 36.719 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.646 20.582 38.106 1.00 10.00 H new ATOM 0 HD2 LYS A 21 26.815 19.760 39.538 1.00 10.00 H new ATOM 0 HD3 LYS A 21 25.632 20.054 38.280 1.00 10.00 H new ATOM 0 HE2 LYS A 21 26.671 18.464 36.757 1.00 10.00 H new ATOM 0 HE3 LYS A 21 28.175 18.459 37.657 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 26.936 16.407 38.010 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 27.054 17.265 39.470 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 25.597 17.269 38.598 1.00 10.00 H new ATOM 310 N GLU A 22 25.346 25.005 37.514 1.00 10.00 N ATOM 311 CA GLU A 22 24.680 26.240 37.908 1.00 10.00 C ATOM 312 C GLU A 22 23.245 26.218 37.447 1.00 10.00 C ATOM 313 O GLU A 22 22.354 26.229 38.309 1.00 10.00 O ATOM 314 CB GLU A 22 25.377 27.486 37.249 1.00 10.00 C ATOM 315 CG GLU A 22 24.645 28.684 37.899 1.00 10.00 C ATOM 316 CD GLU A 22 25.471 29.989 37.816 1.00 10.00 C ATOM 317 OE1 GLU A 22 25.617 30.451 36.695 1.00 10.00 O ATOM 318 OE2 GLU A 22 25.885 30.599 38.833 1.00 10.00 O ATOM 0 H GLU A 22 25.809 25.061 36.607 1.00 10.00 H new ATOM 0 HA GLU A 22 24.736 26.316 38.994 1.00 10.00 H new ATOM 0 HB2 GLU A 22 26.447 27.506 37.457 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.263 27.485 36.165 1.00 10.00 H new ATOM 0 HG2 GLU A 22 23.685 28.832 37.405 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.434 28.455 38.944 1.00 10.00 H new ATOM 325 N VAL A 23 23.040 25.943 36.122 1.00 10.00 N ATOM 326 CA VAL A 23 21.681 25.873 35.592 1.00 10.00 C ATOM 327 C VAL A 23 20.928 24.768 36.324 1.00 10.00 C ATOM 328 O VAL A 23 19.700 24.839 36.389 1.00 10.00 O ATOM 329 CB VAL A 23 21.687 25.534 34.114 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.111 24.123 33.602 1.00 10.00 C ATOM 331 CG2 VAL A 23 20.365 25.871 33.331 1.00 10.00 C ATOM 0 H VAL A 23 23.781 25.775 35.441 1.00 10.00 H new ATOM 0 HA VAL A 23 21.206 26.844 35.734 1.00 10.00 H new ATOM 0 HB VAL A 23 22.515 26.209 33.899 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.043 24.095 32.514 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.137 23.919 33.907 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.449 23.368 34.026 1.00 10.00 H new ATOM 0 HG21 VAL A 23 20.480 25.588 32.285 1.00 10.00 H new ATOM 0 HG22 VAL A 23 19.533 25.318 33.767 1.00 10.00 H new ATOM 0 HG23 VAL A 23 20.165 26.940 33.398 1.00 10.00 H new ATOM 341 N VAL A 24 21.561 23.685 36.653 1.00 10.00 N ATOM 342 CA VAL A 24 20.774 22.517 37.205 1.00 10.00 C ATOM 343 C VAL A 24 20.405 22.715 38.703 1.00 10.00 C ATOM 344 O VAL A 24 19.399 22.188 39.214 1.00 10.00 O ATOM 345 CB VAL A 24 21.483 21.187 36.833 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.582 20.863 37.801 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.598 19.970 36.650 1.00 10.00 C ATOM 0 H VAL A 24 22.568 23.542 36.573 1.00 10.00 H new ATOM 0 HA VAL A 24 19.794 22.460 36.730 1.00 10.00 H new ATOM 0 HB VAL A 24 21.883 21.397 35.841 1.00 10.00 H new ATOM 0 HG11 VAL A 24 23.057 19.926 37.511 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.322 21.663 37.792 1.00 10.00 H new ATOM 0 HG13 VAL A 24 22.166 20.764 38.804 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.213 19.108 36.393 1.00 10.00 H new ATOM 0 HG22 VAL A 24 20.060 19.769 37.576 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.883 20.157 35.849 1.00 10.00 H new ATOM 357 N GLU A 25 21.221 23.507 39.423 1.00 10.00 N ATOM 358 CA GLU A 25 20.899 23.846 40.846 1.00 10.00 C ATOM 359 C GLU A 25 19.976 24.965 40.956 1.00 10.00 C ATOM 360 O GLU A 25 19.127 25.067 41.877 1.00 10.00 O ATOM 361 CB GLU A 25 22.166 24.129 41.576 1.00 10.00 C ATOM 362 CG GLU A 25 23.186 23.011 41.881 1.00 10.00 C ATOM 363 CD GLU A 25 22.551 21.910 42.714 1.00 10.00 C ATOM 364 OE1 GLU A 25 21.353 22.005 43.177 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.168 20.856 43.051 1.00 10.00 O ATOM 0 H GLU A 25 22.084 23.919 39.069 1.00 10.00 H new ATOM 0 HA GLU A 25 20.395 22.990 41.295 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.695 24.895 41.008 1.00 10.00 H new ATOM 0 HB3 GLU A 25 21.889 24.575 42.531 1.00 10.00 H new ATOM 0 HG2 GLU A 25 23.564 22.594 40.948 1.00 10.00 H new ATOM 0 HG3 GLU A 25 24.041 23.428 42.413 1.00 10.00 H new ATOM 372 N GLU A 26 19.976 25.898 39.940 1.00 10.00 N ATOM 373 CA GLU A 26 18.969 26.952 39.792 1.00 10.00 C ATOM 374 C GLU A 26 17.634 26.327 39.313 1.00 10.00 C ATOM 375 O GLU A 26 16.600 26.791 39.885 1.00 10.00 O ATOM 376 CB GLU A 26 19.496 28.114 38.870 1.00 10.00 C ATOM 377 CG GLU A 26 20.481 29.142 39.508 1.00 10.00 C ATOM 378 CD GLU A 26 19.962 30.065 40.623 1.00 10.00 C ATOM 379 OE1 GLU A 26 19.505 29.688 41.761 1.00 10.00 O ATOM 380 OE2 GLU A 26 19.950 31.295 40.329 1.00 10.00 O ATOM 0 H GLU A 26 20.689 25.918 39.211 1.00 10.00 H new ATOM 0 HA GLU A 26 18.774 27.419 40.757 1.00 10.00 H new ATOM 0 HB2 GLU A 26 19.989 27.664 38.009 1.00 10.00 H new ATOM 0 HB3 GLU A 26 18.633 28.663 38.492 1.00 10.00 H new ATOM 0 HG2 GLU A 26 21.328 28.585 39.907 1.00 10.00 H new ATOM 0 HG3 GLU A 26 20.864 29.774 38.707 1.00 10.00 H new ATOM 387 N ALA A 27 17.648 25.273 38.507 1.00 10.00 N ATOM 388 CA ALA A 27 16.393 24.623 38.108 1.00 10.00 C ATOM 389 C ALA A 27 15.806 23.879 39.418 1.00 10.00 C ATOM 390 O ALA A 27 14.582 23.775 39.580 1.00 10.00 O ATOM 391 CB ALA A 27 16.730 23.665 36.972 1.00 10.00 C ATOM 0 H ALA A 27 18.493 24.852 38.120 1.00 10.00 H new ATOM 0 HA ALA A 27 15.631 25.314 37.748 1.00 10.00 H new ATOM 0 HB1 ALA A 27 15.823 23.158 36.643 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.156 24.224 36.139 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.452 22.927 37.321 1.00 10.00 H new