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 -62:sc= 1.14 USER MOD Single : A 10 SER OG : rot 69:sc= 1.29 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00103 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0264) USER MOD Single : A 20 LYS NZ :NH3+ 172:sc= 0.432 (180deg=0.281) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 3 35.522 17.267 16.928 1.00 10.00 N ATOM 19 CA ASP A 3 35.959 18.243 17.857 1.00 10.00 C ATOM 20 C ASP A 3 37.005 19.268 17.289 1.00 10.00 C ATOM 21 O ASP A 3 37.223 20.310 17.917 1.00 10.00 O ATOM 22 CB ASP A 3 36.596 17.556 19.053 1.00 10.00 C ATOM 23 CG ASP A 3 36.443 18.206 20.397 1.00 10.00 C ATOM 24 OD1 ASP A 3 35.755 19.238 20.493 1.00 10.00 O ATOM 25 OD2 ASP A 3 37.069 17.805 21.408 1.00 10.00 O ATOM 0 HA ASP A 3 35.064 18.806 18.122 1.00 10.00 H new ATOM 0 HB2 ASP A 3 36.184 16.549 19.119 1.00 10.00 H new ATOM 0 HB3 ASP A 3 37.662 17.452 18.851 1.00 10.00 H new ATOM 30 N ALA A 4 37.666 18.938 16.144 1.00 10.00 N ATOM 31 CA ALA A 4 38.497 19.968 15.486 1.00 10.00 C ATOM 32 C ALA A 4 37.739 21.241 15.172 1.00 10.00 C ATOM 33 O ALA A 4 38.326 22.301 15.350 1.00 10.00 O ATOM 34 CB ALA A 4 39.213 19.476 14.232 1.00 10.00 C ATOM 0 H ALA A 4 37.642 18.027 15.687 1.00 10.00 H new ATOM 0 HA ALA A 4 39.256 20.197 16.234 1.00 10.00 H new ATOM 0 HB1 ALA A 4 39.802 20.289 13.807 1.00 10.00 H new ATOM 0 HB2 ALA A 4 39.872 18.647 14.491 1.00 10.00 H new ATOM 0 HB3 ALA A 4 38.477 19.140 13.501 1.00 10.00 H new ATOM 40 N ALA A 5 36.500 21.181 14.773 1.00 10.00 N ATOM 41 CA ALA A 5 35.739 22.401 14.518 1.00 10.00 C ATOM 42 C ALA A 5 35.349 23.278 15.762 1.00 10.00 C ATOM 43 O ALA A 5 34.918 24.425 15.587 1.00 10.00 O ATOM 44 CB ALA A 5 34.531 22.100 13.542 1.00 10.00 C ATOM 0 H ALA A 5 35.986 20.314 14.614 1.00 10.00 H new ATOM 0 HA ALA A 5 36.440 23.069 14.019 1.00 10.00 H new ATOM 0 HB1 ALA A 5 33.972 23.018 13.361 1.00 10.00 H new ATOM 0 HB2 ALA A 5 34.914 21.716 12.597 1.00 10.00 H new ATOM 0 HB3 ALA A 5 33.873 21.359 13.995 1.00 10.00 H new ATOM 50 N VAL A 6 35.586 22.704 16.985 1.00 10.00 N ATOM 51 CA VAL A 6 35.415 23.418 18.231 1.00 10.00 C ATOM 52 C VAL A 6 36.749 23.713 18.835 1.00 10.00 C ATOM 53 O VAL A 6 36.870 23.960 20.081 1.00 10.00 O ATOM 54 CB VAL A 6 34.438 22.720 19.142 1.00 10.00 C ATOM 55 CG1 VAL A 6 33.640 23.718 19.941 1.00 10.00 C ATOM 56 CG2 VAL A 6 33.468 21.819 18.362 1.00 10.00 C ATOM 0 H VAL A 6 35.897 21.740 17.101 1.00 10.00 H new ATOM 0 HA VAL A 6 34.952 24.387 18.043 1.00 10.00 H new ATOM 0 HB VAL A 6 35.030 22.098 19.814 1.00 10.00 H new ATOM 0 HG11 VAL A 6 32.942 23.189 20.591 1.00 10.00 H new ATOM 0 HG12 VAL A 6 34.315 24.321 20.548 1.00 10.00 H new ATOM 0 HG13 VAL A 6 33.085 24.366 19.263 1.00 10.00 H new ATOM 0 HG21 VAL A 6 32.782 21.335 19.057 1.00 10.00 H new ATOM 0 HG22 VAL A 6 32.901 22.422 17.653 1.00 10.00 H new ATOM 0 HG23 VAL A 6 34.032 21.059 17.822 1.00 10.00 H new ATOM 66 N ASP A 7 37.958 23.590 18.174 1.00 10.00 N ATOM 67 CA ASP A 7 39.264 23.751 18.674 1.00 10.00 C ATOM 68 C ASP A 7 39.693 22.779 19.749 1.00 10.00 C ATOM 69 O ASP A 7 40.513 23.021 20.645 1.00 10.00 O ATOM 70 CB ASP A 7 39.699 25.222 18.747 1.00 10.00 C ATOM 71 CG ASP A 7 41.218 25.387 18.952 1.00 10.00 C ATOM 72 OD1 ASP A 7 42.014 24.679 18.239 1.00 10.00 O ATOM 73 OD2 ASP A 7 41.572 26.165 19.835 1.00 10.00 O ATOM 0 H ASP A 7 37.976 23.351 17.183 1.00 10.00 H new ATOM 0 HA ASP A 7 39.945 23.373 17.912 1.00 10.00 H new ATOM 0 HB2 ASP A 7 39.404 25.729 17.828 1.00 10.00 H new ATOM 0 HB3 ASP A 7 39.171 25.712 19.565 1.00 10.00 H new ATOM 78 N THR A 8 39.181 21.539 19.714 1.00 10.00 N ATOM 79 CA THR A 8 39.341 20.503 20.754 1.00 10.00 C ATOM 80 C THR A 8 38.674 20.833 22.102 1.00 10.00 C ATOM 81 O THR A 8 39.355 21.062 23.134 1.00 10.00 O ATOM 82 CB THR A 8 40.807 19.983 20.986 1.00 10.00 C ATOM 83 OG1 THR A 8 41.410 19.628 19.795 1.00 10.00 O ATOM 84 CG2 THR A 8 40.882 18.672 21.760 1.00 10.00 C ATOM 0 H THR A 8 38.619 21.214 18.927 1.00 10.00 H new ATOM 0 HA THR A 8 38.790 19.677 20.304 1.00 10.00 H new ATOM 0 HB THR A 8 41.277 20.812 21.515 1.00 10.00 H new ATOM 0 HG1 THR A 8 42.320 19.311 19.971 1.00 10.00 H new ATOM 0 HG21 THR A 8 41.925 18.379 21.879 1.00 10.00 H new ATOM 0 HG22 THR A 8 40.427 18.803 22.742 1.00 10.00 H new ATOM 0 HG23 THR A 8 40.347 17.895 21.213 1.00 10.00 H new ATOM 92 N SER A 9 37.331 21.006 22.102 1.00 10.00 N ATOM 93 CA SER A 9 36.539 21.559 23.193 1.00 10.00 C ATOM 94 C SER A 9 36.579 20.534 24.320 1.00 10.00 C ATOM 95 O SER A 9 36.230 20.891 25.483 1.00 10.00 O ATOM 96 CB SER A 9 35.147 21.943 22.663 1.00 10.00 C ATOM 97 OG SER A 9 34.426 20.804 22.250 1.00 10.00 O ATOM 0 H SER A 9 36.757 20.748 21.299 1.00 10.00 H new ATOM 0 HA SER A 9 36.928 22.491 23.604 1.00 10.00 H new ATOM 0 HB2 SER A 9 34.591 22.466 23.441 1.00 10.00 H new ATOM 0 HB3 SER A 9 35.251 22.634 21.826 1.00 10.00 H new ATOM 0 HG SER A 9 34.901 20.366 21.513 1.00 10.00 H new ATOM 103 N SER A 10 36.923 19.280 24.048 1.00 10.00 N ATOM 104 CA SER A 10 37.175 18.272 25.067 1.00 10.00 C ATOM 105 C SER A 10 38.214 18.724 26.082 1.00 10.00 C ATOM 106 O SER A 10 38.289 18.118 27.171 1.00 10.00 O ATOM 107 CB SER A 10 37.761 17.018 24.423 1.00 10.00 C ATOM 108 OG SER A 10 36.789 16.303 23.550 1.00 10.00 O ATOM 0 H SER A 10 37.036 18.931 23.096 1.00 10.00 H new ATOM 0 HA SER A 10 36.217 18.092 25.555 1.00 10.00 H new ATOM 0 HB2 SER A 10 38.636 17.294 23.834 1.00 10.00 H new ATOM 0 HB3 SER A 10 38.104 16.341 25.205 1.00 10.00 H new ATOM 0 HG SER A 10 36.610 16.841 22.751 1.00 10.00 H new ATOM 114 N GLU A 11 39.103 19.740 25.888 1.00 10.00 N ATOM 115 CA GLU A 11 40.020 20.139 26.996 1.00 10.00 C ATOM 116 C GLU A 11 39.396 21.099 27.973 1.00 10.00 C ATOM 117 O GLU A 11 39.724 21.090 29.155 1.00 10.00 O ATOM 118 CB GLU A 11 41.341 20.759 26.399 1.00 10.00 C ATOM 119 CG GLU A 11 41.997 19.826 25.421 1.00 10.00 C ATOM 120 CD GLU A 11 43.416 20.164 25.047 1.00 10.00 C ATOM 121 OE1 GLU A 11 43.852 21.338 25.115 1.00 10.00 O ATOM 122 OE2 GLU A 11 44.217 19.347 24.549 1.00 10.00 O ATOM 0 H GLU A 11 39.203 20.273 25.024 1.00 10.00 H new ATOM 0 HA GLU A 11 40.247 19.232 27.556 1.00 10.00 H new ATOM 0 HB2 GLU A 11 41.110 21.702 25.904 1.00 10.00 H new ATOM 0 HB3 GLU A 11 42.035 20.986 27.208 1.00 10.00 H new ATOM 0 HG2 GLU A 11 41.981 18.820 25.840 1.00 10.00 H new ATOM 0 HG3 GLU A 11 41.397 19.802 24.511 1.00 10.00 H new ATOM 129 N ILE A 12 38.465 22.005 27.568 1.00 10.00 N ATOM 130 CA ILE A 12 37.859 23.077 28.306 1.00 10.00 C ATOM 131 C ILE A 12 36.519 22.745 29.073 1.00 10.00 C ATOM 132 O ILE A 12 36.085 23.506 29.916 1.00 10.00 O ATOM 133 CB ILE A 12 37.612 24.300 27.398 1.00 10.00 C ATOM 134 CG1 ILE A 12 36.527 24.059 26.301 1.00 10.00 C ATOM 135 CG2 ILE A 12 38.993 24.829 26.785 1.00 10.00 C ATOM 136 CD1 ILE A 12 35.798 25.436 26.167 1.00 10.00 C ATOM 0 H ILE A 12 38.104 21.973 26.615 1.00 10.00 H new ATOM 0 HA ILE A 12 38.596 23.284 29.082 1.00 10.00 H new ATOM 0 HB ILE A 12 37.195 25.084 28.030 1.00 10.00 H new ATOM 0 HG12 ILE A 12 36.978 23.754 25.356 1.00 10.00 H new ATOM 0 HG13 ILE A 12 35.835 23.269 26.593 1.00 10.00 H new ATOM 0 HG21 ILE A 12 38.801 25.692 26.147 1.00 10.00 H new ATOM 0 HG22 ILE A 12 39.663 25.118 27.594 1.00 10.00 H new ATOM 0 HG23 ILE A 12 39.456 24.038 26.196 1.00 10.00 H new ATOM 0 HD11 ILE A 12 35.014 25.361 25.413 1.00 10.00 H new ATOM 0 HD12 ILE A 12 35.355 25.708 27.125 1.00 10.00 H new ATOM 0 HD13 ILE A 12 36.516 26.200 25.869 1.00 10.00 H new ATOM 148 N THR A 13 35.894 21.579 28.772 1.00 10.00 N ATOM 149 CA THR A 13 34.578 21.034 29.309 1.00 10.00 C ATOM 150 C THR A 13 34.323 21.106 30.780 1.00 10.00 C ATOM 151 O THR A 13 33.131 21.023 31.202 1.00 10.00 O ATOM 152 CB THR A 13 34.551 19.615 28.788 1.00 10.00 C ATOM 153 OG1 THR A 13 33.429 18.867 29.185 1.00 10.00 O ATOM 154 CG2 THR A 13 35.721 18.770 29.238 1.00 10.00 C ATOM 0 H THR A 13 36.309 20.933 28.101 1.00 10.00 H new ATOM 0 HA THR A 13 33.766 21.674 28.964 1.00 10.00 H new ATOM 0 HB THR A 13 34.558 19.792 27.713 1.00 10.00 H new ATOM 0 HG1 THR A 13 33.487 17.965 28.807 1.00 10.00 H new ATOM 0 HG21 THR A 13 35.627 17.767 28.822 1.00 10.00 H new ATOM 0 HG22 THR A 13 36.651 19.221 28.891 1.00 10.00 H new ATOM 0 HG23 THR A 13 35.730 18.712 30.326 1.00 10.00 H new ATOM 162 N THR A 14 35.330 21.309 31.601 1.00 10.00 N ATOM 163 CA THR A 14 35.150 21.671 33.011 1.00 10.00 C ATOM 164 C THR A 14 34.387 22.961 33.256 1.00 10.00 C ATOM 165 O THR A 14 33.592 23.003 34.136 1.00 10.00 O ATOM 166 CB THR A 14 36.454 21.673 33.849 1.00 10.00 C ATOM 167 OG1 THR A 14 37.262 20.613 33.400 1.00 10.00 O ATOM 168 CG2 THR A 14 36.064 21.413 35.281 1.00 10.00 C ATOM 0 H THR A 14 36.307 21.230 31.318 1.00 10.00 H new ATOM 0 HA THR A 14 34.524 20.851 33.363 1.00 10.00 H new ATOM 0 HB THR A 14 36.989 22.618 33.757 1.00 10.00 H new ATOM 0 HG1 THR A 14 38.095 20.596 33.916 1.00 10.00 H new ATOM 0 HG21 THR A 14 36.957 21.406 35.906 1.00 10.00 H new ATOM 0 HG22 THR A 14 35.388 22.197 35.622 1.00 10.00 H new ATOM 0 HG23 THR A 14 35.564 20.447 35.352 1.00 10.00 H new ATOM 176 N LYS A 15 34.644 23.982 32.353 1.00 10.00 N ATOM 177 CA LYS A 15 33.925 25.269 32.369 1.00 10.00 C ATOM 178 C LYS A 15 32.462 25.033 32.005 1.00 10.00 C ATOM 179 O LYS A 15 31.482 25.481 32.657 1.00 10.00 O ATOM 180 CB LYS A 15 34.661 26.244 31.369 1.00 10.00 C ATOM 181 CG LYS A 15 36.026 26.678 31.903 1.00 10.00 C ATOM 182 CD LYS A 15 36.915 27.149 30.756 1.00 10.00 C ATOM 183 CE LYS A 15 38.098 27.932 31.394 1.00 10.00 C ATOM 184 NZ LYS A 15 39.377 28.035 30.626 1.00 10.00 N ATOM 0 H LYS A 15 35.347 23.913 31.617 1.00 10.00 H new ATOM 0 HA LYS A 15 33.930 25.728 33.358 1.00 10.00 H new ATOM 0 HB2 LYS A 15 34.788 25.750 30.406 1.00 10.00 H new ATOM 0 HB3 LYS A 15 34.041 27.124 31.197 1.00 10.00 H new ATOM 0 HG2 LYS A 15 35.902 27.481 32.630 1.00 10.00 H new ATOM 0 HG3 LYS A 15 36.502 25.847 32.424 1.00 10.00 H new ATOM 0 HD2 LYS A 15 37.281 26.301 30.177 1.00 10.00 H new ATOM 0 HD3 LYS A 15 36.356 27.785 30.070 1.00 10.00 H new ATOM 0 HE2 LYS A 15 37.753 28.945 31.602 1.00 10.00 H new ATOM 0 HE3 LYS A 15 38.324 27.469 32.355 1.00 10.00 H new ATOM 0 HZ1 LYS A 15 40.069 28.583 31.176 1.00 10.00 H new ATOM 0 HZ2 LYS A 15 39.753 27.082 30.448 1.00 10.00 H new ATOM 0 HZ3 LYS A 15 39.200 28.512 29.719 1.00 10.00 H new ATOM 198 N ASP A 16 32.299 24.159 31.044 1.00 10.00 N ATOM 199 CA ASP A 16 30.992 23.767 30.570 1.00 10.00 C ATOM 200 C ASP A 16 30.176 23.010 31.614 1.00 10.00 C ATOM 201 O ASP A 16 28.955 23.138 31.564 1.00 10.00 O ATOM 202 CB ASP A 16 31.107 22.951 29.292 1.00 10.00 C ATOM 203 CG ASP A 16 29.769 22.909 28.552 1.00 10.00 C ATOM 204 OD1 ASP A 16 29.137 23.927 28.244 1.00 10.00 O ATOM 205 OD2 ASP A 16 29.307 21.750 28.258 1.00 10.00 O ATOM 0 H ASP A 16 33.072 23.696 30.565 1.00 10.00 H new ATOM 0 HA ASP A 16 30.451 24.690 30.362 1.00 10.00 H new ATOM 0 HB2 ASP A 16 31.871 23.384 28.646 1.00 10.00 H new ATOM 0 HB3 ASP A 16 31.428 21.937 29.530 1.00 10.00 H new ATOM 210 N LEU A 17 30.746 22.179 32.394 1.00 10.00 N ATOM 211 CA LEU A 17 30.065 21.368 33.422 1.00 10.00 C ATOM 212 C LEU A 17 29.846 22.236 34.712 1.00 10.00 C ATOM 213 O LEU A 17 28.919 21.908 35.478 1.00 10.00 O ATOM 214 CB LEU A 17 30.800 20.056 33.688 1.00 10.00 C ATOM 215 CG LEU A 17 30.761 19.017 32.521 1.00 10.00 C ATOM 216 CD1 LEU A 17 31.916 18.091 32.625 1.00 10.00 C ATOM 217 CD2 LEU A 17 29.388 18.344 32.503 1.00 10.00 C ATOM 0 H LEU A 17 31.751 22.009 32.362 1.00 10.00 H new ATOM 0 HA LEU A 17 29.082 21.070 33.056 1.00 10.00 H new ATOM 0 HB2 LEU A 17 31.842 20.282 33.915 1.00 10.00 H new ATOM 0 HB3 LEU A 17 30.373 19.594 34.578 1.00 10.00 H new ATOM 0 HG LEU A 17 30.875 19.499 31.550 1.00 10.00 H new ATOM 0 HD11 LEU A 17 31.880 17.371 31.807 1.00 10.00 H new ATOM 0 HD12 LEU A 17 32.844 18.659 32.567 1.00 10.00 H new ATOM 0 HD13 LEU A 17 31.873 17.562 33.577 1.00 10.00 H new ATOM 0 HD21 LEU A 17 29.350 17.617 31.692 1.00 10.00 H new ATOM 0 HD22 LEU A 17 29.219 17.837 33.453 1.00 10.00 H new ATOM 0 HD23 LEU A 17 28.615 19.098 32.351 1.00 10.00 H new ATOM 229 N LYS A 18 30.663 23.320 34.908 1.00 10.00 N ATOM 230 CA LYS A 18 30.296 24.303 35.939 1.00 10.00 C ATOM 231 C LYS A 18 29.051 25.107 35.543 1.00 10.00 C ATOM 232 O LYS A 18 28.324 25.663 36.363 1.00 10.00 O ATOM 233 CB LYS A 18 31.542 25.236 36.116 1.00 10.00 C ATOM 234 CG LYS A 18 32.266 24.892 37.442 1.00 10.00 C ATOM 235 CD LYS A 18 32.806 23.444 37.425 1.00 10.00 C ATOM 236 CE LYS A 18 33.702 23.025 38.548 1.00 10.00 C ATOM 237 NZ LYS A 18 33.077 23.258 39.830 1.00 10.00 N ATOM 0 H LYS A 18 31.522 23.515 34.394 1.00 10.00 H new ATOM 0 HA LYS A 18 30.038 23.804 36.873 1.00 10.00 H new ATOM 0 HB2 LYS A 18 32.224 25.112 35.275 1.00 10.00 H new ATOM 0 HB3 LYS A 18 31.229 26.280 36.121 1.00 10.00 H new ATOM 0 HG2 LYS A 18 33.090 25.588 37.601 1.00 10.00 H new ATOM 0 HG3 LYS A 18 31.578 25.016 38.278 1.00 10.00 H new ATOM 0 HD2 LYS A 18 31.952 22.767 37.406 1.00 10.00 H new ATOM 0 HD3 LYS A 18 33.348 23.299 36.491 1.00 10.00 H new ATOM 0 HE2 LYS A 18 33.947 21.968 38.446 1.00 10.00 H new ATOM 0 HE3 LYS A 18 34.641 23.576 38.493 1.00 10.00 H new ATOM 0 HZ1 LYS A 18 33.684 22.881 40.586 1.00 10.00 H new ATOM 0 HZ2 LYS A 18 32.943 24.280 39.970 1.00 10.00 H new ATOM 0 HZ3 LYS A 18 32.153 22.781 39.858 1.00 10.00 H new ATOM 251 N GLU A 19 28.833 25.237 34.232 1.00 10.00 N ATOM 252 CA GLU A 19 27.582 25.794 33.807 1.00 10.00 C ATOM 253 C GLU A 19 26.466 24.790 34.160 1.00 10.00 C ATOM 254 O GLU A 19 25.481 25.098 34.813 1.00 10.00 O ATOM 255 CB GLU A 19 27.789 26.037 32.340 1.00 10.00 C ATOM 256 CG GLU A 19 26.709 26.851 31.665 1.00 10.00 C ATOM 257 CD GLU A 19 26.542 26.682 30.110 1.00 10.00 C ATOM 258 OE1 GLU A 19 25.940 25.684 29.637 1.00 10.00 O ATOM 259 OE2 GLU A 19 27.104 27.495 29.348 1.00 10.00 O ATOM 0 H GLU A 19 29.482 24.974 33.490 1.00 10.00 H new ATOM 0 HA GLU A 19 27.278 26.725 34.286 1.00 10.00 H new ATOM 0 HB2 GLU A 19 28.744 26.545 32.203 1.00 10.00 H new ATOM 0 HB3 GLU A 19 27.865 25.074 31.835 1.00 10.00 H new ATOM 0 HG2 GLU A 19 25.757 26.604 32.135 1.00 10.00 H new ATOM 0 HG3 GLU A 19 26.902 27.904 31.871 1.00 10.00 H new ATOM 266 N LYS A 20 26.685 23.522 33.784 1.00 10.00 N ATOM 267 CA LYS A 20 25.693 22.498 34.019 1.00 10.00 C ATOM 268 C LYS A 20 25.315 22.259 35.506 1.00 10.00 C ATOM 269 O LYS A 20 24.263 21.708 35.689 1.00 10.00 O ATOM 270 CB LYS A 20 26.131 21.152 33.304 1.00 10.00 C ATOM 271 CG LYS A 20 26.157 21.369 31.804 1.00 10.00 C ATOM 272 CD LYS A 20 24.943 21.987 31.062 1.00 10.00 C ATOM 273 CE LYS A 20 25.018 22.330 29.605 1.00 10.00 C ATOM 274 NZ LYS A 20 26.437 22.867 29.200 1.00 10.00 N ATOM 0 H LYS A 20 27.534 23.197 33.322 1.00 10.00 H new ATOM 0 HA LYS A 20 24.770 22.875 33.578 1.00 10.00 H new ATOM 0 HB2 LYS A 20 27.115 20.843 33.656 1.00 10.00 H new ATOM 0 HB3 LYS A 20 25.437 20.350 33.555 1.00 10.00 H new ATOM 0 HG2 LYS A 20 27.018 22.002 31.588 1.00 10.00 H new ATOM 0 HG3 LYS A 20 26.351 20.400 31.345 1.00 10.00 H new ATOM 0 HD2 LYS A 20 24.109 21.295 31.184 1.00 10.00 H new ATOM 0 HD3 LYS A 20 24.678 22.902 31.592 1.00 10.00 H new ATOM 0 HE2 LYS A 20 24.782 21.447 29.012 1.00 10.00 H new ATOM 0 HE3 LYS A 20 24.265 23.082 29.370 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 26.489 22.964 28.166 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 26.597 23.794 29.643 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 27.166 22.199 29.522 1.00 10.00 H new ATOM 288 N LYS A 21 26.161 22.625 36.470 1.00 10.00 N ATOM 289 CA LYS A 21 25.762 22.619 37.918 1.00 10.00 C ATOM 290 C LYS A 21 25.184 23.936 38.373 1.00 10.00 C ATOM 291 O LYS A 21 24.466 23.994 39.390 1.00 10.00 O ATOM 292 CB LYS A 21 26.976 22.267 38.798 1.00 10.00 C ATOM 293 CG LYS A 21 27.318 20.748 38.616 1.00 10.00 C ATOM 294 CD LYS A 21 28.546 20.300 39.463 1.00 10.00 C ATOM 295 CE LYS A 21 28.653 18.767 39.416 1.00 10.00 C ATOM 296 NZ LYS A 21 29.969 18.304 39.860 1.00 10.00 N ATOM 0 H LYS A 21 27.120 22.929 36.300 1.00 10.00 H new ATOM 0 HA LYS A 21 24.982 21.865 38.024 1.00 10.00 H new ATOM 0 HB2 LYS A 21 27.833 22.881 38.520 1.00 10.00 H new ATOM 0 HB3 LYS A 21 26.757 22.480 39.844 1.00 10.00 H new ATOM 0 HG2 LYS A 21 26.451 20.149 38.896 1.00 10.00 H new ATOM 0 HG3 LYS A 21 27.517 20.549 37.563 1.00 10.00 H new ATOM 0 HD2 LYS A 21 29.458 20.753 39.074 1.00 10.00 H new ATOM 0 HD3 LYS A 21 28.437 20.639 40.493 1.00 10.00 H new ATOM 0 HE2 LYS A 21 27.880 18.328 40.048 1.00 10.00 H new ATOM 0 HE3 LYS A 21 28.469 18.420 38.399 1.00 10.00 H new ATOM 0 HZ1 LYS A 21 30.005 17.266 39.815 1.00 10.00 H new ATOM 0 HZ2 LYS A 21 30.704 18.703 39.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 21 30.134 18.614 40.839 1.00 10.00 H new ATOM 310 N GLU A 22 25.596 24.992 37.679 1.00 10.00 N ATOM 311 CA GLU A 22 25.177 26.394 38.008 1.00 10.00 C ATOM 312 C GLU A 22 23.743 26.598 37.534 1.00 10.00 C ATOM 313 O GLU A 22 22.830 26.759 38.311 1.00 10.00 O ATOM 314 CB GLU A 22 26.145 27.449 37.442 1.00 10.00 C ATOM 315 CG GLU A 22 25.770 28.821 38.048 1.00 10.00 C ATOM 316 CD GLU A 22 26.165 28.853 39.515 1.00 10.00 C ATOM 317 OE1 GLU A 22 27.373 28.796 39.821 1.00 10.00 O ATOM 318 OE2 GLU A 22 25.249 28.816 40.340 1.00 10.00 O ATOM 0 H GLU A 22 26.223 24.926 36.877 1.00 10.00 H new ATOM 0 HA GLU A 22 25.216 26.533 39.088 1.00 10.00 H new ATOM 0 HB2 GLU A 22 27.175 27.192 37.690 1.00 10.00 H new ATOM 0 HB3 GLU A 22 26.078 27.482 36.355 1.00 10.00 H new ATOM 0 HG2 GLU A 22 26.276 29.620 37.507 1.00 10.00 H new ATOM 0 HG3 GLU A 22 24.699 28.995 37.945 1.00 10.00 H new ATOM 325 N VAL A 23 23.523 26.527 36.225 1.00 10.00 N ATOM 326 CA VAL A 23 22.307 26.460 35.570 1.00 10.00 C ATOM 327 C VAL A 23 21.381 25.512 36.311 1.00 10.00 C ATOM 328 O VAL A 23 20.179 25.910 36.377 1.00 10.00 O ATOM 329 CB VAL A 23 22.385 26.025 34.061 1.00 10.00 C ATOM 330 CG1 VAL A 23 22.259 24.541 33.782 1.00 10.00 C ATOM 331 CG2 VAL A 23 21.332 26.747 33.199 1.00 10.00 C ATOM 0 H VAL A 23 24.302 26.517 35.566 1.00 10.00 H new ATOM 0 HA VAL A 23 21.925 27.481 35.568 1.00 10.00 H new ATOM 0 HB VAL A 23 23.400 26.316 33.792 1.00 10.00 H new ATOM 0 HG11 VAL A 23 22.328 24.365 32.708 1.00 10.00 H new ATOM 0 HG12 VAL A 23 23.062 24.006 34.289 1.00 10.00 H new ATOM 0 HG13 VAL A 23 21.297 24.183 34.147 1.00 10.00 H new ATOM 0 HG21 VAL A 23 21.421 26.417 32.164 1.00 10.00 H new ATOM 0 HG22 VAL A 23 20.335 26.512 33.570 1.00 10.00 H new ATOM 0 HG23 VAL A 23 21.494 27.824 33.252 1.00 10.00 H new ATOM 341 N VAL A 24 21.820 24.343 36.821 1.00 10.00 N ATOM 342 CA VAL A 24 20.810 23.400 37.338 1.00 10.00 C ATOM 343 C VAL A 24 20.460 23.590 38.794 1.00 10.00 C ATOM 344 O VAL A 24 19.388 23.152 39.220 1.00 10.00 O ATOM 345 CB VAL A 24 21.199 21.986 36.939 1.00 10.00 C ATOM 346 CG1 VAL A 24 22.142 21.358 37.983 1.00 10.00 C ATOM 347 CG2 VAL A 24 19.991 21.064 36.807 1.00 10.00 C ATOM 0 H VAL A 24 22.793 24.044 36.885 1.00 10.00 H new ATOM 0 HA VAL A 24 19.854 23.623 36.864 1.00 10.00 H new ATOM 0 HB VAL A 24 21.693 22.079 35.972 1.00 10.00 H new ATOM 0 HG11 VAL A 24 22.405 20.346 37.674 1.00 10.00 H new ATOM 0 HG12 VAL A 24 23.047 21.960 38.064 1.00 10.00 H new ATOM 0 HG13 VAL A 24 21.642 21.323 38.951 1.00 10.00 H new ATOM 0 HG21 VAL A 24 20.324 20.067 36.520 1.00 10.00 H new ATOM 0 HG22 VAL A 24 19.467 21.011 37.762 1.00 10.00 H new ATOM 0 HG23 VAL A 24 19.317 21.454 36.045 1.00 10.00 H new ATOM 357 N GLU A 25 21.305 24.302 39.561 1.00 10.00 N ATOM 358 CA GLU A 25 20.835 24.624 40.910 1.00 10.00 C ATOM 359 C GLU A 25 19.664 25.562 40.935 1.00 10.00 C ATOM 360 O GLU A 25 18.780 25.424 41.797 1.00 10.00 O ATOM 361 CB GLU A 25 22.057 25.002 41.772 1.00 10.00 C ATOM 362 CG GLU A 25 21.889 25.421 43.246 1.00 10.00 C ATOM 363 CD GLU A 25 23.117 26.044 43.769 1.00 10.00 C ATOM 364 OE1 GLU A 25 24.165 25.362 43.820 1.00 10.00 O ATOM 365 OE2 GLU A 25 23.097 27.217 44.272 1.00 10.00 O ATOM 0 H GLU A 25 22.232 24.637 39.300 1.00 10.00 H new ATOM 0 HA GLU A 25 20.386 23.747 41.376 1.00 10.00 H new ATOM 0 HB2 GLU A 25 22.734 24.148 41.758 1.00 10.00 H new ATOM 0 HB3 GLU A 25 22.566 25.821 41.263 1.00 10.00 H new ATOM 0 HG2 GLU A 25 21.058 26.120 43.335 1.00 10.00 H new ATOM 0 HG3 GLU A 25 21.637 24.548 43.848 1.00 10.00 H new ATOM 372 N GLU A 26 19.488 26.435 39.942 1.00 10.00 N ATOM 373 CA GLU A 26 18.293 27.189 39.845 1.00 10.00 C ATOM 374 C GLU A 26 17.160 26.365 39.309 1.00 10.00 C ATOM 375 O GLU A 26 16.059 26.840 39.486 1.00 10.00 O ATOM 376 CB GLU A 26 18.479 28.551 39.148 1.00 10.00 C ATOM 377 CG GLU A 26 18.643 28.435 37.662 1.00 10.00 C ATOM 378 CD GLU A 26 18.188 29.773 37.027 1.00 10.00 C ATOM 379 OE1 GLU A 26 18.927 30.785 37.146 1.00 10.00 O ATOM 380 OE2 GLU A 26 17.033 29.896 36.583 1.00 10.00 O ATOM 0 H GLU A 26 20.172 26.619 39.208 1.00 10.00 H new ATOM 0 HA GLU A 26 18.006 27.460 40.861 1.00 10.00 H new ATOM 0 HB2 GLU A 26 17.618 29.183 39.364 1.00 10.00 H new ATOM 0 HB3 GLU A 26 19.353 29.050 39.566 1.00 10.00 H new ATOM 0 HG2 GLU A 26 19.682 28.226 37.408 1.00 10.00 H new ATOM 0 HG3 GLU A 26 18.048 27.607 37.276 1.00 10.00 H new ATOM 387 N ALA A 27 17.409 25.293 38.699 1.00 10.00 N ATOM 388 CA ALA A 27 16.344 24.370 38.232 1.00 10.00 C ATOM 389 C ALA A 27 15.838 23.445 39.328 1.00 10.00 C ATOM 390 O ALA A 27 14.722 22.915 39.245 1.00 10.00 O ATOM 391 CB ALA A 27 16.860 23.569 36.990 1.00 10.00 C ATOM 0 H ALA A 27 18.354 24.978 38.480 1.00 10.00 H new ATOM 0 HA ALA A 27 15.483 24.971 37.940 1.00 10.00 H new ATOM 0 HB1 ALA A 27 16.080 22.890 36.645 1.00 10.00 H new ATOM 0 HB2 ALA A 27 17.117 24.264 36.190 1.00 10.00 H new ATOM 0 HB3 ALA A 27 17.743 22.995 37.269 1.00 10.00 H new