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 -19:sc= 1.2 USER MOD Single : A 10 SER OG : rot 54:sc= 1.14 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -159:sc= 0.592 (180deg=0.412) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc= -0.0774 (180deg=-0.359) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 32.252 17.264 17.908 1.00 10.00 N ATOM 19 CA ASP A 3 32.834 18.393 18.720 1.00 10.00 C ATOM 20 C ASP A 3 33.603 19.423 17.835 1.00 10.00 C ATOM 21 O ASP A 3 33.757 20.568 18.261 1.00 10.00 O ATOM 22 CB ASP A 3 33.678 17.712 19.810 1.00 10.00 C ATOM 23 CG ASP A 3 34.212 18.737 20.866 1.00 10.00 C ATOM 24 OD1 ASP A 3 33.440 19.656 21.223 1.00 10.00 O ATOM 25 OD2 ASP A 3 35.369 18.557 21.260 1.00 10.00 O ATOM 0 HA ASP A 3 32.068 19.014 19.184 1.00 10.00 H new ATOM 0 HB2 ASP A 3 33.077 16.954 20.313 1.00 10.00 H new ATOM 0 HB3 ASP A 3 34.520 17.197 19.347 1.00 10.00 H new ATOM 30 N ALA A 4 33.969 19.146 16.589 1.00 10.00 N ATOM 31 CA ALA A 4 34.620 20.111 15.752 1.00 10.00 C ATOM 32 C ALA A 4 33.573 21.063 15.216 1.00 10.00 C ATOM 33 O ALA A 4 33.962 22.177 14.936 1.00 10.00 O ATOM 34 CB ALA A 4 35.199 19.259 14.751 1.00 10.00 C ATOM 0 H ALA A 4 33.817 18.242 16.143 1.00 10.00 H new ATOM 0 HA ALA A 4 35.367 20.751 16.222 1.00 10.00 H new ATOM 0 HB1 ALA A 4 35.740 19.866 14.025 1.00 10.00 H new ATOM 0 HB2 ALA A 4 35.887 18.558 15.224 1.00 10.00 H new ATOM 0 HB3 ALA A 4 34.409 18.705 14.243 1.00 10.00 H new ATOM 40 N ALA A 5 32.247 20.741 15.096 1.00 10.00 N ATOM 41 CA ALA A 5 31.201 21.761 14.659 1.00 10.00 C ATOM 42 C ALA A 5 31.072 22.929 15.715 1.00 10.00 C ATOM 43 O ALA A 5 31.012 24.085 15.404 1.00 10.00 O ATOM 44 CB ALA A 5 29.951 21.020 14.325 1.00 10.00 C ATOM 0 H ALA A 5 31.871 19.812 15.287 1.00 10.00 H new ATOM 0 HA ALA A 5 31.492 22.290 13.752 1.00 10.00 H new ATOM 0 HB1 ALA A 5 29.183 21.726 14.008 1.00 10.00 H new ATOM 0 HB2 ALA A 5 30.151 20.315 13.518 1.00 10.00 H new ATOM 0 HB3 ALA A 5 29.604 20.477 15.204 1.00 10.00 H new ATOM 50 N VAL A 6 31.029 22.502 17.025 1.00 10.00 N ATOM 51 CA VAL A 6 31.157 23.272 18.308 1.00 10.00 C ATOM 52 C VAL A 6 32.624 23.710 18.561 1.00 10.00 C ATOM 53 O VAL A 6 32.934 24.166 19.674 1.00 10.00 O ATOM 54 CB VAL A 6 30.746 22.295 19.489 1.00 10.00 C ATOM 55 CG1 VAL A 6 30.205 22.923 20.746 1.00 10.00 C ATOM 56 CG2 VAL A 6 29.672 21.231 19.177 1.00 10.00 C ATOM 0 H VAL A 6 30.890 21.511 17.223 1.00 10.00 H new ATOM 0 HA VAL A 6 30.527 24.159 18.252 1.00 10.00 H new ATOM 0 HB VAL A 6 31.739 21.867 19.628 1.00 10.00 H new ATOM 0 HG11 VAL A 6 29.965 22.143 21.468 1.00 10.00 H new ATOM 0 HG12 VAL A 6 30.954 23.592 21.170 1.00 10.00 H new ATOM 0 HG13 VAL A 6 29.304 23.490 20.511 1.00 10.00 H new ATOM 0 HG21 VAL A 6 29.485 20.631 20.068 1.00 10.00 H new ATOM 0 HG22 VAL A 6 28.749 21.724 18.871 1.00 10.00 H new ATOM 0 HG23 VAL A 6 30.023 20.585 18.372 1.00 10.00 H new ATOM 66 N ASP A 7 33.511 23.710 17.549 1.00 10.00 N ATOM 67 CA ASP A 7 34.854 24.387 17.465 1.00 10.00 C ATOM 68 C ASP A 7 35.837 23.850 18.506 1.00 10.00 C ATOM 69 O ASP A 7 36.680 24.557 19.103 1.00 10.00 O ATOM 70 CB ASP A 7 34.653 25.853 17.429 1.00 10.00 C ATOM 71 CG ASP A 7 36.015 26.528 17.142 1.00 10.00 C ATOM 72 OD1 ASP A 7 36.817 25.988 16.390 1.00 10.00 O ATOM 73 OD2 ASP A 7 36.420 27.548 17.774 1.00 10.00 O ATOM 0 H ASP A 7 33.307 23.200 16.690 1.00 10.00 H new ATOM 0 HA ASP A 7 35.358 24.138 16.531 1.00 10.00 H new ATOM 0 HB2 ASP A 7 33.929 26.117 16.658 1.00 10.00 H new ATOM 0 HB3 ASP A 7 34.249 26.203 18.379 1.00 10.00 H new ATOM 78 N THR A 8 35.736 22.507 18.683 1.00 10.00 N ATOM 79 CA THR A 8 36.486 21.684 19.575 1.00 10.00 C ATOM 80 C THR A 8 36.431 22.102 21.013 1.00 10.00 C ATOM 81 O THR A 8 37.331 22.618 21.656 1.00 10.00 O ATOM 82 CB THR A 8 37.969 21.543 19.097 1.00 10.00 C ATOM 83 OG1 THR A 8 37.901 21.158 17.797 1.00 10.00 O ATOM 84 CG2 THR A 8 38.766 20.457 19.819 1.00 10.00 C ATOM 0 H THR A 8 35.064 21.959 18.146 1.00 10.00 H new ATOM 0 HA THR A 8 35.996 20.711 19.538 1.00 10.00 H new ATOM 0 HB THR A 8 38.470 22.493 19.286 1.00 10.00 H new ATOM 0 HG1 THR A 8 38.807 21.054 17.439 1.00 10.00 H new ATOM 0 HG21 THR A 8 39.782 20.429 19.425 1.00 10.00 H new ATOM 0 HG22 THR A 8 38.796 20.677 20.886 1.00 10.00 H new ATOM 0 HG23 THR A 8 38.289 19.490 19.661 1.00 10.00 H new ATOM 92 N SER A 9 35.190 21.916 21.548 1.00 10.00 N ATOM 93 CA SER A 9 34.784 22.303 22.968 1.00 10.00 C ATOM 94 C SER A 9 35.210 21.319 24.049 1.00 10.00 C ATOM 95 O SER A 9 35.054 21.697 25.220 1.00 10.00 O ATOM 96 CB SER A 9 33.313 22.618 22.973 1.00 10.00 C ATOM 97 OG SER A 9 32.584 21.417 22.865 1.00 10.00 O ATOM 0 H SER A 9 34.427 21.493 21.019 1.00 10.00 H new ATOM 0 HA SER A 9 35.343 23.196 23.248 1.00 10.00 H new ATOM 0 HB2 SER A 9 33.043 23.140 23.891 1.00 10.00 H new ATOM 0 HB3 SER A 9 33.068 23.282 22.144 1.00 10.00 H new ATOM 0 HG SER A 9 33.167 20.710 22.518 1.00 10.00 H new ATOM 103 N SER A 10 35.792 20.142 23.737 1.00 10.00 N ATOM 104 CA SER A 10 36.325 19.188 24.711 1.00 10.00 C ATOM 105 C SER A 10 37.476 19.689 25.524 1.00 10.00 C ATOM 106 O SER A 10 37.867 19.136 26.523 1.00 10.00 O ATOM 107 CB SER A 10 36.768 17.866 24.148 1.00 10.00 C ATOM 108 OG SER A 10 35.798 17.261 23.422 1.00 10.00 O ATOM 0 H SER A 10 35.903 19.828 22.773 1.00 10.00 H new ATOM 0 HA SER A 10 35.443 19.053 25.336 1.00 10.00 H new ATOM 0 HB2 SER A 10 37.646 18.018 23.520 1.00 10.00 H new ATOM 0 HB3 SER A 10 37.069 17.210 24.964 1.00 10.00 H new ATOM 0 HG SER A 10 35.474 17.877 22.732 1.00 10.00 H new ATOM 114 N GLU A 11 38.012 20.864 25.174 1.00 10.00 N ATOM 115 CA GLU A 11 38.926 21.669 25.994 1.00 10.00 C ATOM 116 C GLU A 11 38.332 22.594 27.044 1.00 10.00 C ATOM 117 O GLU A 11 38.900 22.642 28.139 1.00 10.00 O ATOM 118 CB GLU A 11 39.925 22.579 25.181 1.00 10.00 C ATOM 119 CG GLU A 11 40.832 21.763 24.233 1.00 10.00 C ATOM 120 CD GLU A 11 41.906 22.629 23.733 1.00 10.00 C ATOM 121 OE1 GLU A 11 41.632 23.713 23.093 1.00 10.00 O ATOM 122 OE2 GLU A 11 43.102 22.188 23.850 1.00 10.00 O ATOM 0 H GLU A 11 37.812 21.299 24.273 1.00 10.00 H new ATOM 0 HA GLU A 11 39.422 20.837 26.494 1.00 10.00 H new ATOM 0 HB2 GLU A 11 39.358 23.306 24.599 1.00 10.00 H new ATOM 0 HB3 GLU A 11 40.546 23.143 25.877 1.00 10.00 H new ATOM 0 HG2 GLU A 11 41.254 20.907 24.760 1.00 10.00 H new ATOM 0 HG3 GLU A 11 40.248 21.369 23.401 1.00 10.00 H new ATOM 129 N ILE A 12 37.240 23.265 26.779 1.00 10.00 N ATOM 130 CA ILE A 12 36.481 24.006 27.798 1.00 10.00 C ATOM 131 C ILE A 12 35.420 23.286 28.625 1.00 10.00 C ATOM 132 O ILE A 12 34.971 23.847 29.571 1.00 10.00 O ATOM 133 CB ILE A 12 35.861 25.264 27.270 1.00 10.00 C ATOM 134 CG1 ILE A 12 34.630 24.915 26.312 1.00 10.00 C ATOM 135 CG2 ILE A 12 36.800 26.358 26.672 1.00 10.00 C ATOM 136 CD1 ILE A 12 33.477 25.960 26.269 1.00 10.00 C ATOM 0 H ILE A 12 36.835 23.323 25.845 1.00 10.00 H new ATOM 0 HA ILE A 12 37.300 24.194 28.493 1.00 10.00 H new ATOM 0 HB ILE A 12 35.511 25.773 28.168 1.00 10.00 H new ATOM 0 HG12 ILE A 12 35.011 24.782 25.299 1.00 10.00 H new ATOM 0 HG13 ILE A 12 34.213 23.957 26.624 1.00 10.00 H new ATOM 0 HG21 ILE A 12 36.203 27.205 26.334 1.00 10.00 H new ATOM 0 HG22 ILE A 12 37.502 26.692 27.436 1.00 10.00 H new ATOM 0 HG23 ILE A 12 37.351 25.943 25.828 1.00 10.00 H new ATOM 0 HD11 ILE A 12 32.699 25.616 25.587 1.00 10.00 H new ATOM 0 HD12 ILE A 12 33.057 26.080 27.268 1.00 10.00 H new ATOM 0 HD13 ILE A 12 33.866 26.917 25.922 1.00 10.00 H new ATOM 148 N THR A 13 35.016 22.103 28.247 1.00 10.00 N ATOM 149 CA THR A 13 34.088 21.247 28.881 1.00 10.00 C ATOM 150 C THR A 13 34.008 21.298 30.443 1.00 10.00 C ATOM 151 O THR A 13 32.913 21.231 30.932 1.00 10.00 O ATOM 152 CB THR A 13 34.250 19.769 28.419 1.00 10.00 C ATOM 153 OG1 THR A 13 33.144 18.909 28.686 1.00 10.00 O ATOM 154 CG2 THR A 13 35.591 19.115 28.821 1.00 10.00 C ATOM 0 H THR A 13 35.378 21.683 27.391 1.00 10.00 H new ATOM 0 HA THR A 13 33.139 21.663 28.543 1.00 10.00 H new ATOM 0 HB THR A 13 34.267 19.881 27.335 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.344 18.008 28.357 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.618 18.087 28.459 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.416 19.676 28.382 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.687 19.120 29.907 1.00 10.00 H new ATOM 162 N THR A 14 35.107 21.391 31.198 1.00 10.00 N ATOM 163 CA THR A 14 35.010 21.663 32.644 1.00 10.00 C ATOM 164 C THR A 14 34.345 22.962 33.041 1.00 10.00 C ATOM 165 O THR A 14 33.454 22.979 33.892 1.00 10.00 O ATOM 166 CB THR A 14 36.336 21.524 33.416 1.00 10.00 C ATOM 167 OG1 THR A 14 36.868 20.314 33.046 1.00 10.00 O ATOM 168 CG2 THR A 14 36.055 21.316 34.940 1.00 10.00 C ATOM 0 H THR A 14 36.058 21.285 30.846 1.00 10.00 H new ATOM 0 HA THR A 14 34.339 20.858 32.943 1.00 10.00 H new ATOM 0 HB THR A 14 36.955 22.400 33.223 1.00 10.00 H new ATOM 0 HG1 THR A 14 37.720 20.175 33.510 1.00 10.00 H new ATOM 0 HG21 THR A 14 37.000 21.219 35.474 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.505 22.173 35.329 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.464 20.411 35.081 1.00 10.00 H new ATOM 176 N LYS A 15 34.612 24.066 32.315 1.00 10.00 N ATOM 177 CA LYS A 15 33.943 25.291 32.521 1.00 10.00 C ATOM 178 C LYS A 15 32.406 25.241 32.178 1.00 10.00 C ATOM 179 O LYS A 15 31.530 25.622 32.940 1.00 10.00 O ATOM 180 CB LYS A 15 34.605 26.430 31.736 1.00 10.00 C ATOM 181 CG LYS A 15 36.161 26.533 31.844 1.00 10.00 C ATOM 182 CD LYS A 15 36.700 27.639 30.863 1.00 10.00 C ATOM 183 CE LYS A 15 36.160 29.036 31.241 1.00 10.00 C ATOM 184 NZ LYS A 15 36.545 30.047 30.226 1.00 10.00 N ATOM 0 H LYS A 15 35.310 24.095 31.572 1.00 10.00 H new ATOM 0 HA LYS A 15 34.028 25.483 33.591 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.342 26.319 30.684 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.175 27.373 32.074 1.00 10.00 H new ATOM 0 HG2 LYS A 15 36.447 26.774 32.868 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.614 25.571 31.604 1.00 10.00 H new ATOM 0 HD2 LYS A 15 37.790 27.649 30.887 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.406 27.397 29.842 1.00 10.00 H new ATOM 0 HE2 LYS A 15 35.074 28.999 31.329 1.00 10.00 H new ATOM 0 HE3 LYS A 15 36.549 29.328 32.216 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 36.170 30.977 30.503 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 37.582 30.097 30.161 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 36.153 29.777 29.301 1.00 10.00 H new ATOM 198 N ASP A 16 32.206 24.535 31.025 1.00 10.00 N ATOM 199 CA ASP A 16 30.855 24.115 30.672 1.00 10.00 C ATOM 200 C ASP A 16 30.208 23.185 31.754 1.00 10.00 C ATOM 201 O ASP A 16 29.008 23.222 31.982 1.00 10.00 O ATOM 202 CB ASP A 16 30.891 23.410 29.306 1.00 10.00 C ATOM 203 CG ASP A 16 29.477 23.172 28.794 1.00 10.00 C ATOM 204 OD1 ASP A 16 28.875 24.076 28.262 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.114 22.008 28.954 1.00 10.00 O ATOM 0 H ASP A 16 32.937 24.265 30.367 1.00 10.00 H new ATOM 0 HA ASP A 16 30.229 25.006 30.620 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.446 24.017 28.591 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.418 22.460 29.394 1.00 10.00 H new ATOM 210 N LEU A 17 30.976 22.442 32.524 1.00 10.00 N ATOM 211 CA LEU A 17 30.392 21.604 33.601 1.00 10.00 C ATOM 212 C LEU A 17 30.125 22.433 34.884 1.00 10.00 C ATOM 213 O LEU A 17 29.140 22.098 35.537 1.00 10.00 O ATOM 214 CB LEU A 17 31.153 20.321 33.755 1.00 10.00 C ATOM 215 CG LEU A 17 30.861 19.294 32.617 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.955 18.291 32.424 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.502 18.677 32.897 1.00 10.00 C ATOM 0 H LEU A 17 31.991 22.387 32.443 1.00 10.00 H new ATOM 0 HA LEU A 17 29.393 21.270 33.321 1.00 10.00 H new ATOM 0 HB2 LEU A 17 32.221 20.539 33.774 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.903 19.870 34.715 1.00 10.00 H new ATOM 0 HG LEU A 17 30.833 19.807 31.655 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.685 17.609 31.618 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.881 18.807 32.168 1.00 10.00 H new ATOM 0 HD13 LEU A 17 32.097 17.726 33.345 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.264 17.952 32.119 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.522 18.177 33.865 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.743 19.459 32.908 1.00 10.00 H new ATOM 229 N LYS A 18 30.784 23.576 35.090 1.00 10.00 N ATOM 230 CA LYS A 18 30.370 24.540 36.070 1.00 10.00 C ATOM 231 C LYS A 18 29.130 25.258 35.574 1.00 10.00 C ATOM 232 O LYS A 18 28.293 25.626 36.426 1.00 10.00 O ATOM 233 CB LYS A 18 31.406 25.635 36.321 1.00 10.00 C ATOM 234 CG LYS A 18 32.504 25.294 37.339 1.00 10.00 C ATOM 235 CD LYS A 18 33.642 24.401 36.787 1.00 10.00 C ATOM 236 CE LYS A 18 34.623 23.895 37.950 1.00 10.00 C ATOM 237 NZ LYS A 18 35.208 24.978 38.755 1.00 10.00 N ATOM 0 H LYS A 18 31.620 23.845 34.572 1.00 10.00 H new ATOM 0 HA LYS A 18 30.209 23.976 36.989 1.00 10.00 H new ATOM 0 HB2 LYS A 18 31.881 25.884 35.372 1.00 10.00 H new ATOM 0 HB3 LYS A 18 30.886 26.530 36.662 1.00 10.00 H new ATOM 0 HG2 LYS A 18 32.937 26.223 37.711 1.00 10.00 H new ATOM 0 HG3 LYS A 18 32.047 24.791 38.191 1.00 10.00 H new ATOM 0 HD2 LYS A 18 33.212 23.540 36.275 1.00 10.00 H new ATOM 0 HD3 LYS A 18 34.215 24.959 36.046 1.00 10.00 H new ATOM 0 HE2 LYS A 18 34.072 23.224 38.609 1.00 10.00 H new ATOM 0 HE3 LYS A 18 35.429 23.313 37.503 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 35.829 24.572 39.484 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 35.762 25.608 38.140 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 34.447 25.521 39.211 1.00 10.00 H new ATOM 251 N GLU A 19 28.868 25.357 34.261 1.00 10.00 N ATOM 252 CA GLU A 19 27.600 25.777 33.763 1.00 10.00 C ATOM 253 C GLU A 19 26.474 24.783 34.245 1.00 10.00 C ATOM 254 O GLU A 19 25.685 25.070 35.083 1.00 10.00 O ATOM 255 CB GLU A 19 27.747 25.986 32.279 1.00 10.00 C ATOM 256 CG GLU A 19 26.497 26.711 31.860 1.00 10.00 C ATOM 257 CD GLU A 19 26.432 26.972 30.300 1.00 10.00 C ATOM 258 OE1 GLU A 19 27.328 27.681 29.791 1.00 10.00 O ATOM 259 OE2 GLU A 19 25.551 26.390 29.575 1.00 10.00 O ATOM 0 H GLU A 19 29.549 25.141 33.533 1.00 10.00 H new ATOM 0 HA GLU A 19 27.267 26.734 34.165 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.638 26.571 32.050 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.846 25.035 31.755 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.626 26.129 32.163 1.00 10.00 H new ATOM 0 HG3 GLU A 19 26.442 27.664 32.386 1.00 10.00 H new ATOM 266 N LYS A 20 26.744 23.507 33.905 1.00 10.00 N ATOM 267 CA LYS A 20 25.774 22.353 34.042 1.00 10.00 C ATOM 268 C LYS A 20 25.378 21.948 35.442 1.00 10.00 C ATOM 269 O LYS A 20 24.359 21.282 35.603 1.00 10.00 O ATOM 270 CB LYS A 20 26.205 21.046 33.357 1.00 10.00 C ATOM 271 CG LYS A 20 26.334 21.085 31.851 1.00 10.00 C ATOM 272 CD LYS A 20 24.962 21.276 31.045 1.00 10.00 C ATOM 273 CE LYS A 20 25.196 21.189 29.523 1.00 10.00 C ATOM 274 NZ LYS A 20 26.190 22.163 28.968 1.00 10.00 N ATOM 0 H LYS A 20 27.646 23.224 33.521 1.00 10.00 H new ATOM 0 HA LYS A 20 24.924 22.812 33.538 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.165 20.743 33.774 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.485 20.270 33.618 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.009 21.898 31.583 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.803 20.159 31.520 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.248 20.512 31.351 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.522 22.242 31.294 1.00 10.00 H new ATOM 0 HE2 LYS A 20 25.528 20.179 29.281 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.243 21.341 29.017 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.027 22.281 27.948 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.080 23.081 29.445 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.153 21.804 29.126 1.00 10.00 H new ATOM 288 N LYS A 21 26.168 22.298 36.437 1.00 10.00 N ATOM 289 CA LYS A 21 25.946 22.247 37.901 1.00 10.00 C ATOM 290 C LYS A 21 25.279 23.406 38.502 1.00 10.00 C ATOM 291 O LYS A 21 24.543 23.290 39.444 1.00 10.00 O ATOM 292 CB LYS A 21 27.282 22.025 38.627 1.00 10.00 C ATOM 293 CG LYS A 21 27.876 20.614 38.393 1.00 10.00 C ATOM 294 CD LYS A 21 29.195 20.396 39.116 1.00 10.00 C ATOM 295 CE LYS A 21 29.604 18.924 39.026 1.00 10.00 C ATOM 296 NZ LYS A 21 28.663 17.965 39.628 1.00 10.00 N ATOM 0 H LYS A 21 27.095 22.671 36.233 1.00 10.00 H new ATOM 0 HA LYS A 21 25.255 21.414 38.030 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.999 22.774 38.292 1.00 10.00 H new ATOM 0 HB3 LYS A 21 27.137 22.178 39.696 1.00 10.00 H new ATOM 0 HG2 LYS A 21 27.158 19.864 38.725 1.00 10.00 H new ATOM 0 HG3 LYS A 21 28.025 20.461 37.324 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.969 21.025 38.675 1.00 10.00 H new ATOM 0 HD3 LYS A 21 29.100 20.692 40.161 1.00 10.00 H new ATOM 0 HE2 LYS A 21 29.736 18.666 37.975 1.00 10.00 H new ATOM 0 HE3 LYS A 21 30.574 18.805 39.508 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 29.143 17.054 39.776 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 28.329 18.333 40.542 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 27.851 17.829 38.992 1.00 10.00 H new ATOM 310 N GLU A 22 25.530 24.631 37.960 1.00 10.00 N ATOM 311 CA GLU A 22 25.011 25.915 38.528 1.00 10.00 C ATOM 312 C GLU A 22 23.568 26.183 37.993 1.00 10.00 C ATOM 313 O GLU A 22 22.671 26.560 38.732 1.00 10.00 O ATOM 314 CB GLU A 22 26.005 27.061 38.202 1.00 10.00 C ATOM 315 CG GLU A 22 25.669 28.284 39.070 1.00 10.00 C ATOM 316 CD GLU A 22 26.708 29.385 38.783 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.739 29.393 39.488 1.00 10.00 O ATOM 318 OE2 GLU A 22 26.445 30.299 38.006 1.00 10.00 O ATOM 0 H GLU A 22 26.095 24.759 37.121 1.00 10.00 H new ATOM 0 HA GLU A 22 24.937 25.854 39.614 1.00 10.00 H new ATOM 0 HB2 GLU A 22 27.028 26.736 38.391 1.00 10.00 H new ATOM 0 HB3 GLU A 22 25.944 27.322 37.146 1.00 10.00 H new ATOM 0 HG2 GLU A 22 24.664 28.643 38.846 1.00 10.00 H new ATOM 0 HG3 GLU A 22 25.684 28.015 40.126 1.00 10.00 H new ATOM 325 N VAL A 23 23.434 26.053 36.654 1.00 10.00 N ATOM 326 CA VAL A 23 22.112 25.983 35.923 1.00 10.00 C ATOM 327 C VAL A 23 21.322 24.858 36.554 1.00 10.00 C ATOM 328 O VAL A 23 20.079 24.941 36.632 1.00 10.00 O ATOM 329 CB VAL A 23 22.288 25.633 34.472 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.538 24.144 34.117 1.00 10.00 C ATOM 331 CG2 VAL A 23 21.120 26.129 33.683 1.00 10.00 C ATOM 0 H VAL A 23 24.237 25.992 36.029 1.00 10.00 H new ATOM 0 HA VAL A 23 21.622 26.954 35.991 1.00 10.00 H new ATOM 0 HB VAL A 23 23.220 26.133 34.208 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.646 24.041 33.037 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.449 23.801 34.607 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.695 23.542 34.457 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.255 25.872 32.632 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.206 25.666 34.056 1.00 10.00 H new ATOM 0 HG23 VAL A 23 21.046 27.212 33.785 1.00 10.00 H new ATOM 341 N VAL A 24 21.941 23.813 37.113 1.00 10.00 N ATOM 342 CA VAL A 24 21.115 22.673 37.686 1.00 10.00 C ATOM 343 C VAL A 24 20.641 22.903 39.144 1.00 10.00 C ATOM 344 O VAL A 24 19.472 22.614 39.484 1.00 10.00 O ATOM 345 CB VAL A 24 21.598 21.247 37.506 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.307 20.545 38.653 1.00 10.00 C ATOM 347 CG2 VAL A 24 20.604 20.157 37.122 1.00 10.00 C ATOM 0 H VAL A 24 22.952 23.705 37.194 1.00 10.00 H new ATOM 0 HA VAL A 24 20.265 22.737 37.006 1.00 10.00 H new ATOM 0 HB VAL A 24 22.257 21.556 36.694 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.581 19.535 38.348 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.206 21.100 38.919 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.643 20.495 39.516 1.00 10.00 H new ATOM 0 HG21 VAL A 24 21.125 19.203 37.037 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.832 20.082 37.888 1.00 10.00 H new ATOM 0 HG23 VAL A 24 20.143 20.405 36.166 1.00 10.00 H new ATOM 357 N GLU A 25 21.487 23.563 39.947 1.00 10.00 N ATOM 358 CA GLU A 25 21.130 24.128 41.282 1.00 10.00 C ATOM 359 C GLU A 25 20.038 25.186 41.101 1.00 10.00 C ATOM 360 O GLU A 25 19.083 25.224 41.904 1.00 10.00 O ATOM 361 CB GLU A 25 22.391 24.849 41.855 1.00 10.00 C ATOM 362 CG GLU A 25 22.064 25.779 42.964 1.00 10.00 C ATOM 363 CD GLU A 25 23.268 26.386 43.711 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.359 25.781 43.760 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.219 27.548 44.078 1.00 10.00 O ATOM 0 H GLU A 25 22.461 23.729 39.694 1.00 10.00 H new ATOM 0 HA GLU A 25 20.788 23.333 41.945 1.00 10.00 H new ATOM 0 HB2 GLU A 25 23.102 24.102 42.210 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.883 25.402 41.055 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.461 26.594 42.563 1.00 10.00 H new ATOM 0 HG3 GLU A 25 21.443 25.249 43.686 1.00 10.00 H new ATOM 372 N GLU A 26 20.163 26.070 40.093 1.00 10.00 N ATOM 373 CA GLU A 26 19.107 27.006 39.598 1.00 10.00 C ATOM 374 C GLU A 26 17.807 26.324 39.097 1.00 10.00 C ATOM 375 O GLU A 26 16.723 26.826 39.430 1.00 10.00 O ATOM 376 CB GLU A 26 19.604 27.932 38.405 1.00 10.00 C ATOM 377 CG GLU A 26 19.288 29.418 38.691 1.00 10.00 C ATOM 378 CD GLU A 26 19.338 30.287 37.416 1.00 10.00 C ATOM 379 OE1 GLU A 26 20.430 30.723 36.877 1.00 10.00 O ATOM 380 OE2 GLU A 26 18.239 30.528 36.856 1.00 10.00 O ATOM 0 H GLU A 26 21.035 26.164 39.572 1.00 10.00 H new ATOM 0 HA GLU A 26 18.889 27.589 40.493 1.00 10.00 H new ATOM 0 HB2 GLU A 26 20.677 27.805 38.264 1.00 10.00 H new ATOM 0 HB3 GLU A 26 19.122 27.626 37.477 1.00 10.00 H new ATOM 0 HG2 GLU A 26 18.299 29.496 39.142 1.00 10.00 H new ATOM 0 HG3 GLU A 26 20.001 29.805 39.419 1.00 10.00 H new ATOM 387 N ALA A 27 17.897 25.189 38.443 1.00 10.00 N ATOM 388 CA ALA A 27 16.733 24.331 38.042 1.00 10.00 C ATOM 389 C ALA A 27 16.060 23.627 39.219 1.00 10.00 C ATOM 390 O ALA A 27 15.012 22.957 39.097 1.00 10.00 O ATOM 391 CB ALA A 27 17.086 23.380 36.890 1.00 10.00 C ATOM 0 H ALA A 27 18.794 24.799 38.153 1.00 10.00 H new ATOM 0 HA ALA A 27 15.975 25.013 37.657 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.213 22.779 36.634 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.395 23.960 36.021 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.901 22.724 37.196 1.00 10.00 H new